#DEFINITION	Reference Metabolome for Ormosia hosiei
#IDENTTFIER	RefMeta-Ormosia hosiei.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Ormosia hosiei
#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 Ormosia hosiei 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	997.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03354	0.7
70.19250	2.2
71.01270	25.6
72.99196	2.9
73.02827	7.1
75.00766	9.3
81.03335	0.7
83.01276	5.2
85.02839	17.1
86.00005	1.1
87.00764	7.1
87.04413	1.9
88.98685	0.7
89.02341	7.0
93.03367	1.2
95.01283	3.4
96.95905	6.2
97.02847	1.6
99.00774	13.3
101.02345	12.3
103.03920	2.1
108.02110	1.4
108.73058	0.6
109.02882	1.0
111.00792	1.1
113.02352	11.6
115.00257	0.6
115.03919	1.8
116.92753	0.6
119.03432	2.3
119.04944	3.0
121.02879	1.2
125.02383	3.0
131.03412	4.5
135.04443	1.9
137.02394	0.9
143.03445	4.3
145.02882	1.1
149.02324	1.0
149.06023	0.7
150.03186	1.2
151.00304	1.4
151.03920	0.7
152.01064	1.1
153.01884	0.7
161.02423	0.6
161.04536	1.9
163.04010	0.6
163.06062	1.1
164.04787	1.0
165.05493	1.8
166.02676	0.9
179.07054	0.7
181.05078	1.0
195.06566	0.9
205.05269	0.7
205.07193	2.6
209.08206	0.8
213.14919	1.1
269.04663	1.4
271.06226	1.5
322.92633	0.7
511.34399	2.0
571.18237	0.7
700.96857	0.6
835.28711	0.9
835.44733	0.9
915.88385	0.7
955.50507	0.8
979.49310	1.0
997.50507	100.0
998.34082	0.8
998.50812	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.0
69.20844	2.5
71.01268	24.5
72.91372	0.2
72.99192	2.1
73.02834	6.8
75.00761	9.8
81.03376	0.2
83.01279	3.1
85.02840	19.4
85.99973	1.5
86.03159	0.4
87.00770	6.6
87.04411	1.6
89.02330	2.9
95.01289	2.8
96.95918	0.5
97.02834	0.6
97.06482	0.2
98.19743	0.4
99.00777	13.9
99.04420	0.3
101.02341	3.3
103.03901	1.0
109.02888	0.3
111.00797	0.4
112.01568	0.6
113.02354	8.2
115.00295	0.4
115.03927	1.9
116.92783	0.3
119.03378	0.4
121.02850	0.7
125.02377	0.5
129.01799	0.6
131.02470	0.3
131.03426	4.8
131.04401	0.3
132.03842	0.2
135.04404	0.4
137.02371	0.3
139.00269	0.4
143.03436	3.9
145.04988	0.5
157.01363	0.7
161.04453	0.5
163.03958	0.3
163.06075	0.6
178.06317	0.2
205.07111	2.1
209.04503	0.4
288.14603	0.2
337.11191	0.3
337.48743	0.2
349.10953	0.3
367.11627	0.5
377.10571	0.2
389.28702	0.3
395.11267	1.0
396.12399	0.6
405.31924	0.4
409.12949	0.5
411.14514	1.0
423.32828	0.3
439.35947	0.9
465.37402	1.5
466.37817	0.3
475.36121	0.3
491.35535	0.4
493.37283	0.3
523.46790	0.2
535.41876	0.5
541.38574	0.2
573.19824	0.6
611.42853	0.2
625.41870	0.2
701.42749	0.8
800.46130	0.2
921.52539	0.5
935.55054	0.5
979.52240	1.3
980.53308	0.3
997.53979	100.0
998.35071	0.8
998.54236	19.6
1008.55682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.5
71.01269	21.5
71.52285	0.3
72.01614	0.4
72.99194	2.5
73.02451	0.3
73.02837	4.9
75.00761	8.4
81.03333	0.5
83.01279	4.4
85.02841	12.9
85.99626	0.1
86.00000	1.6
87.00768	7.7
87.04411	2.1
89.02336	5.7
95.01284	3.5
96.95895	0.6
97.02852	0.7
99.00783	9.1
99.04427	0.5
100.01087	0.2
101.02342	8.9
103.03921	2.1
108.02039	0.3
109.02854	0.5
110.24139	0.2
111.00784	0.7
112.01536	0.3
113.02356	9.7
114.02684	0.3
115.00313	0.4
115.03352	0.2
115.03936	1.8
119.03405	1.4
123.04398	0.2
125.02351	1.0
125.06465	0.2
127.03872	0.2
129.01828	0.4
131.02478	0.3
131.03424	4.1
135.04405	0.3
137.02367	0.2
139.00325	0.5
139.03879	0.2
143.03433	4.3
145.04979	0.7
147.04475	0.3
149.02316	0.4
152.01007	0.3
157.01357	0.7
161.04541	1.1
161.05692	0.2
163.06038	1.6
177.01817	0.2
188.07129	0.4
205.07143	3.2
209.11784	0.3
233.06857	0.2
245.06729	0.6
315.07162	0.4
365.10910	0.2
377.10425	0.4
379.11862	0.3
395.11395	4.7
396.11865	0.5
419.15024	0.6
423.32755	0.3
439.35889	0.4
441.37085	0.2
485.30670	0.2
509.36032	1.8
511.38089	0.8
537.36053	0.3
553.38531	0.2
555.40778	0.3
557.16937	1.3
558.16486	0.3
579.40625	0.8
580.41498	0.3
581.38440	0.3
625.41223	0.5
669.40015	0.8
933.52039	0.5
977.51215	1.7
978.51807	0.6
995.52405	100.0
996.52771	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	1.5
71.01270	28.5
71.51929	0.4
71.52277	0.5
72.01624	0.4
72.99191	2.9
73.02444	0.6
73.02832	7.2
75.00764	10.6
81.03352	0.4
82.95295	1.2
83.01272	3.1
84.95015	2.2
85.02843	18.6
85.99979	1.3
87.00774	8.3
87.04400	2.3
89.02338	5.7
93.03355	1.0
95.01290	4.2
96.95911	2.2
97.02856	1.3
99.00777	13.1
99.04427	0.8
101.02344	10.7
103.03912	1.6
108.02074	0.5
109.02848	1.1
111.00795	0.6
112.01580	0.3
113.02356	12.7
114.02660	0.4
115.00278	0.6
115.03925	2.4
117.03427	0.4
119.03414	1.4
119.04959	0.6
121.02852	0.7
125.02346	2.1
126.02794	0.3
127.03925	0.4
131.03416	5.1
134.03601	0.4
135.04463	0.8
137.02356	1.0
137.06053	0.4
139.00262	0.8
143.02374	0.4
143.03439	4.3
145.05038	0.6
149.02446	0.3
149.05995	0.4
150.03064	0.4
151.00296	1.1
152.01021	0.5
153.01883	0.7
157.01326	1.2
160.01703	0.3
161.02431	0.5
161.04501	1.0
163.06021	1.4
165.01791	0.4
165.05498	0.5
177.01897	0.4
190.02728	0.5
205.05197	0.6
205.07141	2.2
235.52681	0.3
299.05658	0.4
315.07327	0.5
315.12466	0.4
323.72488	0.3
351.01746	0.3
353.42249	0.3
356.08511	0.3
367.10532	0.4
507.34650	0.4
509.32700	2.8
579.37012	1.2
580.38080	0.4
669.36023	0.8
750.78235	0.4
910.49017	0.9
977.47998	2.3
978.47473	0.6
995.48810	100.0
996.49164	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13566	0.0
70.61008	0.0
70.88789	0.1
71.01273	0.2
73.02848	0.0
73.22639	0.0
75.00769	0.1
77.85904	0.0
78.95781	0.1
79.95628	5.0
85.02831	0.1
87.00761	0.0
88.68126	0.0
94.97980	0.1
95.97476	0.1
96.95914	100.0
97.95843	0.2
99.00780	0.1
101.64278	0.0
104.93140	0.0
113.02404	0.1
114.93307	0.1
131.03384	0.0
154.31380	0.0
259.24399	0.0
364.32492	0.0
867.55627	0.0
895.50787	0.6
896.51447	0.1
993.47662	0.5
994.49078	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	995.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	1.0
71.01266	27.3
72.01587	0.6
72.99189	3.0
73.02448	0.5
73.02831	7.4
74.70815	0.3
75.00763	10.8
77.44215	0.3
82.95288	1.0
83.01273	4.1
84.95003	2.1
85.02840	18.8
85.99980	1.7
86.03183	0.5
87.00768	8.7
87.04406	2.6
88.98684	0.8
89.02330	5.5
93.03362	0.9
95.01286	4.5
96.95915	2.2
97.02847	1.5
99.00777	13.8
99.04389	0.5
100.01077	0.4
101.02347	11.4
103.03920	1.8
108.02054	0.5
109.02840	1.3
111.00819	0.8
112.01569	0.4
113.02354	13.0
115.00277	0.6
115.03941	2.3
119.03400	1.6
121.02862	0.7
123.04437	0.4
125.02341	2.2
131.03419	5.0
135.04420	1.3
137.02359	1.4
139.00310	0.6
143.03424	5.2
145.05002	0.8
149.02373	0.6
150.03046	0.5
151.00244	0.8
151.03894	0.5
152.01091	0.7
152.03448	0.3
153.01808	0.6
157.01376	1.2
161.02425	0.6
161.04478	1.0
163.03941	0.4
163.06071	2.0
165.05444	0.7
166.02698	0.4
175.03958	0.4
190.02699	0.7
205.05280	0.6
205.07109	2.8
229.91739	0.5
247.08223	0.5
284.03195	0.4
315.07108	0.5
315.12515	0.4
361.31720	0.4
470.68588	0.4
498.93576	0.4
507.35178	0.4
509.32956	3.1
509.39655	0.5
515.25256	0.3
579.37054	1.2
651.35577	0.5
726.90442	0.4
910.49268	1.0
951.47107	0.5
977.48022	2.7
995.48792	100.0
996.49249	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	0.8
69.03347	0.5
71.01270	13.4
72.99207	1.5
73.02834	4.1
75.00365	0.3
75.00768	5.5
80.67980	0.2
83.01277	2.5
85.02842	8.0
85.99968	0.6
87.00771	4.6
87.04428	1.3
89.02340	4.3
95.01283	2.2
97.02864	0.5
99.00778	5.2
99.04423	0.2
101.02347	7.1
102.98125	0.2
103.03917	1.8
109.02851	0.2
111.00798	0.2
111.04404	0.2
112.01575	0.3
112.82716	0.2
113.02354	5.7
115.00301	0.2
115.03907	1.6
119.03406	0.9
125.02393	0.3
131.03421	2.6
139.00299	0.3
143.03447	3.8
145.04971	0.5
157.01320	0.3
161.04454	1.2
163.06049	1.3
170.26642	0.2
191.51564	0.2
205.07150	2.5
230.06322	0.2
332.96686	0.2
418.69412	0.2
439.35989	2.0
440.36508	0.2
441.37698	0.2
509.40118	2.3
510.40256	0.3
553.39069	0.2
599.39807	0.4
633.23633	0.2
907.50684	0.6
925.51849	100.0
926.52246	17.2
988.51282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5915
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03365	0.5
71.01270	0.8
71.04892	0.2
71.40469	0.2
72.99190	0.3
73.02837	0.1
83.04887	0.5
85.02849	0.2
85.06460	0.2
87.00758	0.1
89.02328	0.5
97.06506	0.2
99.08051	1.1
101.02355	0.5
109.06498	0.2
111.08083	1.0
113.02348	0.3
113.09651	0.7
116.20264	0.1
119.03417	0.2
123.08069	0.8
125.02382	0.2
125.09685	0.2
127.11204	0.4
129.09140	0.3
137.09616	0.3
139.07585	0.8
139.11191	0.7
141.09167	1.2
141.10258	0.2
151.11235	0.2
153.12791	0.5
155.10707	1.0
155.14362	0.3
156.32729	0.1
159.04472	0.2
161.04420	0.2
167.10718	0.1
167.14362	0.3
169.15962	0.3
171.10194	0.1
172.05319	0.2
173.06006	0.2
181.12294	0.1
183.13770	0.1
187.04004	0.2
187.09734	3.0
189.08148	0.1
191.17993	0.5
197.11768	0.3
199.13397	0.1
201.05513	0.1
202.06277	0.2
211.13448	0.6
229.19554	0.2
235.08278	0.3
237.22321	0.3
245.19341	0.2
247.20685	0.8
265.21780	4.0
266.22235	0.2
275.20102	0.2
277.21777	1.5
283.13449	2.4
284.13803	0.1
293.21317	2.0
294.21686	0.1
301.14520	0.4
309.15036	0.1
309.20847	1.5
310.21039	1.0
311.22345	100.0
312.22693	7.7
327.16071	0.6
345.16858	0.1
397.13562	2.6
397.21317	0.5
398.13879	0.2
415.14697	0.8
415.22223	0.2
473.26385	0.1
675.36310	0.2
758.62000	0.1
841.48090	0.2
955.55640	0.5
956.56750	0.1
987.58197	2.1
988.58154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99707	0.9
69.03337	0.9
71.01267	17.3
72.01588	0.3
72.99189	1.3
73.02834	5.5
75.00758	7.3
81.03362	0.2
83.01275	3.0
85.02838	10.9
85.99982	1.3
86.03178	0.2
87.00767	5.5
87.04405	1.4
89.02338	4.0
91.43913	0.2
95.01289	3.2
97.02836	0.7
99.00777	7.7
99.04427	0.3
101.02345	7.7
102.02650	0.2
102.57992	0.1
103.03916	1.4
111.00765	0.3
112.01581	0.4
113.02353	8.2
115.00280	0.4
115.03905	2.0
119.03444	1.1
125.02370	0.6
127.03923	0.2
129.01842	0.3
131.03424	4.1
135.04457	0.2
139.00272	0.4
143.03438	4.9
145.04990	0.6
148.04042	0.2
157.01372	0.7
159.02867	0.3
161.04506	0.7
163.06070	1.1
205.07108	2.6
229.20918	0.2
247.08113	0.2
423.32315	0.2
439.35904	2.5
440.36438	0.3
485.36328	0.2
509.40033	2.4
510.40085	0.3
553.38989	0.4
599.39508	0.5
907.50702	0.8
925.51813	100.0
926.52136	20.4
988.50250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03357	1.4
71.01274	7.4
71.04891	0.5
71.59267	1.0
73.02840	2.0
81.03372	0.9
83.01276	28.7
85.02837	2.7
87.00744	0.7
89.02345	1.2
93.03365	0.8
95.01280	0.7
96.95937	1.3
97.02847	4.7
99.00787	1.1
100.60135	0.4
101.02346	7.9
108.02069	1.0
109.02853	0.9
113.02361	3.5
116.92775	0.6
119.01276	0.7
119.04939	0.5
121.02904	0.9
125.02367	18.5
126.02673	0.6
133.02951	1.0
135.04486	1.5
137.02411	1.0
143.03421	0.9
148.01611	5.2
149.02374	0.8
150.03062	0.5
161.02435	0.9
161.04515	1.7
175.03937	0.8
189.01840	0.7
201.01973	0.8
201.05437	0.5
215.03554	0.7
227.03484	0.8
239.00099	0.5
239.07141	0.8
241.05128	0.6
245.06557	3.7
251.07103	0.6
253.05161	0.6
254.05830	0.7
257.08328	0.6
265.05182	0.6
267.06775	1.8
268.07272	0.5
269.04593	0.7
279.03485	0.4
279.06711	1.7
281.04590	1.3
282.05261	0.6
283.06091	1.2
293.04617	0.7
294.05444	0.9
295.06198	1.5
297.07645	0.7
299.05740	1.5
307.06219	1.9
307.09479	0.7
309.04086	1.4
309.07596	0.9
311.05725	1.2
312.06552	0.7
319.06085	0.5
321.11453	1.2
323.05652	4.4
323.09341	1.2
325.07394	2.7
327.05118	0.6
327.21933	1.2
328.05908	0.4
328.22424	0.5
335.05789	2.7
337.07190	2.3
337.10965	5.8
338.11047	0.8
339.12512	1.5
340.05890	1.2
341.06860	0.9
342.07428	1.0
344.05469	0.5
347.05591	0.6
349.07022	0.8
349.10913	11.5
350.11383	1.6
351.08807	1.8
351.12497	1.5
353.06738	4.3
353.10544	1.1
354.07233	0.6
355.08417	1.3
355.15479	0.5
356.05161	0.8
356.09229	0.6
363.12549	2.8
365.10574	2.1
366.11145	2.4
367.08432	1.6
367.11966	30.8
368.12311	2.8
371.09811	1.3
377.10239	2.2
378.11014	2.8
379.11975	6.2
380.12750	3.2
381.09781	0.8
381.13663	6.6
391.12000	6.2
392.12711	1.8
393.13516	2.0
395.11429	29.2
396.12198	59.9
397.12598	6.7
407.11447	0.9
409.13010	24.7
410.13721	17.2
411.14563	54.8
412.15033	5.6
421.48944	0.5
555.18982	2.1
573.19891	30.7
574.20331	3.0
597.20068	0.9
615.20959	22.3
616.21338	2.0
657.22113	9.9
658.22644	1.3
699.23590	0.9
861.28497	9.9
862.28937	1.6
987.31580	100.0
988.31915	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	985.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99727	0.1
71.01268	2.0
73.02827	0.3
74.47389	0.2
75.00761	0.9
81.95816	0.1
83.01279	0.2
85.02846	1.4
86.00024	0.1
87.00780	0.4
88.98698	100.0
89.99020	0.7
96.95908	0.4
99.00769	0.8
101.02354	0.3
113.02353	0.9
115.03938	0.2
131.03416	0.5
137.05891	0.2
143.03387	0.4
205.07085	0.2
213.71594	0.1
229.17834	0.2
401.41022	0.1
439.35629	0.2
499.37332	0.2
509.40424	0.3
557.30035	0.2
684.24072	0.2
886.48608	0.2
895.50781	18.0
896.50873	3.0
897.51526	0.4
940.89722	0.2
985.48981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99688	1.0
71.01266	6.9
71.56580	1.1
72.99197	0.8
73.02833	1.8
75.00756	1.0
81.03342	0.8
82.02372	0.6
83.01268	3.2
85.02831	3.6
87.00772	2.1
88.98695	0.7
89.02348	3.0
93.03357	5.8
95.01277	1.7
96.95920	6.4
97.02876	0.9
99.00758	1.2
101.02374	3.5
107.01341	0.8
108.02057	3.2
109.02869	3.2
113.02350	3.2
116.92770	1.3
117.03393	0.7
119.03466	0.8
119.04926	2.0
121.02882	7.1
122.03660	15.3
123.00771	1.5
123.04456	2.0
124.01609	1.1
125.02357	7.1
133.02869	1.6
134.03644	2.1
135.04530	1.3
136.01610	1.9
137.02351	5.8
137.05956	1.0
140.83737	0.7
142.13477	0.7
143.42693	0.7
145.02881	1.1
146.03642	0.7
147.04475	1.1
149.02382	23.1
149.06046	1.6
150.03163	100.0
150.81871	0.7
151.00293	7.8
151.03865	4.5
152.01126	3.1
152.04514	0.7
153.01851	1.6
159.04425	0.7
160.03978	1.2
161.02373	2.2
161.04559	1.4
161.06000	0.7
162.03064	1.0
163.03969	1.6
164.04750	4.9
164.05922	0.8
165.01854	2.9
165.05519	95.6
166.02669	21.1
166.05788	3.4
167.03419	2.9
174.01607	0.7
174.03229	0.7
175.00369	0.8
175.03937	1.4
176.01201	0.7
177.01898	5.3
177.05522	1.6
179.03391	1.8
179.05629	1.0
179.07066	4.6
180.04208	8.1
181.05028	31.1
182.05447	1.0
187.04018	1.2
190.02731	1.9
190.06316	1.5
191.03313	1.2
193.05072	2.0
195.06606	67.3
196.07010	2.1
205.05106	3.7
205.08627	1.0
206.05727	1.0
207.06558	0.7
219.06699	1.6
220.07368	2.2
220.82516	0.7
221.08159	1.5
223.06161	2.1
247.09831	0.8
269.04654	1.9
271.06137	1.8
283.06345	1.0
285.04205	1.5
287.05594	1.3
309.04401	0.8
315.07407	0.8
372.12000	1.5
387.10004	3.9
387.15140	5.2
402.13235	4.4
403.13733	1.1
417.15634	22.9
418.15881	0.7
501.52173	0.8
553.54236	0.7
565.20892	6.1
597.23566	3.2
613.23169	7.8
614.23248	0.8
626.23859	0.9
627.14404	1.3
627.24664	25.3
628.25122	3.6
636.36914	0.7
681.25616	1.6
775.29669	8.4
776.30164	1.6
805.31097	3.3
823.31970	26.2
824.31531	4.5
985.30823	1.4
985.48853	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	985.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99713	0.4
69.03333	1.3
70.47124	0.9
71.01265	10.9
72.99191	0.4
73.02828	2.9
80.73341	0.2
81.03361	1.0
83.01274	100.0
84.01614	1.6
85.02843	7.2
85.43891	0.2
87.00771	0.6
89.02346	0.6
93.03356	0.5
95.01267	1.6
95.04906	0.4
96.95900	0.3
97.02850	5.2
99.00781	2.2
99.04422	3.1
101.02344	32.3
102.02684	0.6
107.04930	0.3
108.02102	0.2
109.02848	0.4
111.00791	0.5
111.04424	1.1
113.02354	11.9
119.01293	0.3
121.02838	0.3
123.00851	0.3
123.04436	0.7
125.02364	23.4
126.02660	0.5
129.01845	0.2
131.03412	0.8
132.02141	0.2
133.02882	0.5
135.04440	0.9
137.02362	0.3
137.06004	0.5
139.03908	0.3
142.02652	0.7
143.03429	5.2
145.02893	0.7
148.01591	0.7
151.00285	0.7
152.01085	0.2
153.01816	0.5
153.05525	2.5
155.03432	0.8
159.02890	1.0
160.01492	0.2
160.12698	0.2
161.02377	0.4
161.04503	11.4
162.04869	0.4
165.05447	0.6
167.03481	2.3
171.19566	0.2
175.03955	0.3
175.07571	0.3
179.03345	0.3
185.04521	0.5
191.03481	0.2
197.04459	0.2
199.03908	0.3
199.07611	0.3
200.04799	0.3
201.05472	0.3
202.06253	0.6
203.03648	0.3
203.05582	0.9
203.07210	0.4
205.03485	0.3
213.05560	0.3
215.03519	0.4
215.07077	0.4
217.08662	0.7
225.05595	0.2
227.03368	0.2
227.05560	3.5
229.05075	0.8
238.36591	0.2
239.03627	0.3
239.07182	0.2
241.05060	0.6
243.08752	0.4
245.06679	58.2
246.07013	2.4
251.11304	0.3
253.05043	0.4
255.06668	0.6
256.07428	0.8
261.45468	0.2
263.10873	0.3
267.06812	0.5
268.07367	0.5
269.06683	1.3
277.08710	0.3
278.14557	0.3
281.04492	0.3
285.07645	0.3
286.08563	0.6
287.07816	2.9
291.10416	0.6
292.10800	0.3
293.04578	0.3
305.08618	0.4
307.06543	0.4
307.09869	1.0
309.11441	0.2
313.03549	0.3
318.08914	0.3
319.09796	1.0
321.04578	0.2
321.07608	1.0
321.11182	0.3
323.05685	0.5
329.08731	0.4
331.09912	0.4
333.07770	0.3
335.05621	0.4
335.09360	1.8
335.13403	0.6
336.09982	1.1
337.10782	0.9
345.07672	0.3
347.09369	2.0
348.10022	1.7
349.07184	0.6
349.10922	0.8
351.04922	0.5
351.08780	0.3
359.09280	0.3
360.10083	1.4
361.10690	0.8
363.08768	1.1
364.09525	0.7
365.10370	3.2
366.11075	3.3
371.09872	12.3
372.10297	1.0
375.08832	0.6
376.09445	0.7
377.10269	0.7
378.11148	4.3
379.11826	1.7
389.10303	0.6
390.10870	0.2
391.12350	0.3
393.09921	3.2
394.10651	20.6
395.11038	2.9
407.11539	1.5
408.12122	2.0
409.12991	61.8
410.13354	5.2
413.11072	0.7
431.12137	0.3
553.17206	1.4
571.18323	8.6
572.18658	0.9
605.55096	0.3
611.21954	0.4
613.19330	5.2
614.19879	0.6
655.20435	3.4
656.20874	0.4
697.21509	2.3
698.22174	0.3
715.22589	0.3
787.46051	0.4
985.30103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.4
69.43100	1.6
72.99220	1.0
72.99553	0.2
80.70856	0.2
83.04916	0.6
84.02042	0.3
85.06490	0.4
87.00759	0.2
95.04962	0.4
96.95895	1.0
97.06500	0.4
98.95504	0.2
111.96331	0.2
113.09615	0.6
123.08070	0.4
125.09633	0.9
127.11201	0.4
135.11789	0.2
137.09599	0.2
139.11217	5.1
153.12799	3.1
156.97508	0.2
167.14380	0.5
189.16412	0.4
191.18040	5.2
191.19687	0.4
192.18405	0.4
224.14233	0.9
229.19711	0.7
240.23598	0.2
245.19176	0.9
247.20699	4.2
257.18945	0.2
275.20221	0.5
291.19827	0.7
293.21295	100.0
294.18274	0.3
294.21622	5.8
512.13531	0.6
526.14972	0.4
614.20294	5.9
615.20850	1.0
646.19196	1.1
687.23267	0.7
688.24854	0.3
907.43616	0.3
938.85083	0.2
981.45276	42.7
982.45569	12.7
982.66248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99692	1.8
69.03342	1.2
70.16380	1.6
71.01269	24.7
72.99199	3.2
73.02837	4.9
75.00763	9.1
78.95797	1.5
79.95616	1.5
83.01270	3.1
85.02843	13.5
85.03603	0.4
85.99970	1.7
86.03162	0.3
87.00774	7.5
87.04410	1.6
89.02339	6.6
90.83109	0.4
95.01276	2.9
96.95914	33.7
96.96894	1.3
97.02862	0.9
99.00784	8.6
99.04409	0.5
101.02342	9.8
103.03912	2.2
111.00783	0.8
113.02364	8.3
115.03924	1.3
119.03433	1.8
125.02377	1.1
131.03412	4.4
135.04588	0.4
139.00314	0.8
143.03423	5.2
145.04987	0.6
146.53506	0.4
157.01402	0.8
161.04489	1.0
163.06104	1.6
171.10262	0.6
197.11758	0.4
205.07169	2.8
209.11824	0.8
211.34363	0.4
228.76440	0.4
291.19864	0.4
293.21356	1.4
309.20773	1.4
397.13699	1.1
481.36798	0.4
497.40146	3.0
567.44641	1.3
569.61884	0.4
630.95282	0.4
657.43109	0.4
901.95313	0.4
965.55267	1.7
983.56079	100.0
984.56439	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	977.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	5.5
69.27016	5.9
69.27448	4.5
71.01270	19.7
71.69011	1.0
72.99196	2.5
73.02845	8.7
75.00800	1.1
79.35902	1.0
81.03341	2.2
83.01276	18.6
83.09338	1.0
85.02848	14.2
87.00783	2.0
89.02338	4.6
93.03362	3.6
94.59029	1.0
95.01287	3.2
96.95893	2.7
97.02857	16.9
99.00778	15.7
99.04420	16.7
101.01701	1.8
101.02351	26.2
108.02084	1.2
109.02879	3.8
111.00814	2.0
113.02361	17.7
117.03382	1.9
119.04946	1.6
121.02886	2.0
123.04427	1.8
125.02367	100.0
126.02697	2.2
127.03962	1.6
135.04469	1.7
137.02406	5.2
139.04010	1.1
143.03438	5.0
149.02399	1.0
152.01057	4.9
153.01924	2.1
161.02370	1.6
161.04538	10.2
167.03381	1.7
175.64845	1.0
177.01915	1.3
179.03499	1.3
191.03493	1.1
191.05498	1.5
191.33530	1.0
203.05563	2.7
245.06708	14.6
275.07758	1.7
311.05878	1.6
315.07318	1.8
329.08765	1.9
335.05676	4.4
371.09894	16.6
389.07968	1.1
401.11047	18.9
419.12061	47.3
420.12482	2.4
425.08795	8.0
431.12125	9.0
443.11853	8.9
444.12115	1.3
455.09912	3.2
461.13132	35.3
462.13568	2.0
501.16180	7.1
503.14270	8.3
503.27893	1.3
545.13196	22.4
546.13495	3.0
563.16290	10.7
564.16241	2.6
605.16998	4.9
661.18762	1.1
707.20740	1.7
715.36566	1.1
977.28015	26.8
978.28992	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	979.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71662	1.1
71.01259	3.6
72.99191	0.9
73.02829	0.6
75.00755	0.5
81.03342	1.1
83.01273	12.6
84.36121	0.3
85.02837	1.5
87.00766	1.4
89.02345	1.1
93.03349	6.5
95.01286	0.8
96.95913	1.4
97.02863	1.0
99.00764	1.1
99.04418	1.8
101.02354	2.6
107.01292	23.7
107.04908	0.5
108.02090	1.7
109.02856	1.2
113.02367	1.9
115.00261	0.8
116.92805	0.6
117.03374	1.8
119.04940	38.6
120.05267	1.2
121.02860	1.5
123.00800	0.4
123.04420	0.7
125.02363	14.2
131.01280	0.5
133.02866	0.7
134.03693	0.5
135.04410	1.4
136.01602	1.0
137.02376	1.6
139.00188	0.4
143.03404	0.5
143.04971	1.2
145.02885	4.9
147.04471	0.7
149.02370	2.2
149.06012	0.7
149.99525	0.5
150.03020	0.5
151.00302	100.0
152.00633	2.2
153.01877	1.0
158.36951	0.3
161.02409	1.6
161.04495	0.6
161.06036	1.5
163.00203	0.5
163.03905	0.9
164.01115	1.5
164.04721	0.6
165.01862	4.5
165.05518	0.9
166.02596	0.6
167.03403	1.0
169.01341	3.0
175.00261	2.0
175.02432	1.2
175.03886	0.8
177.01889	8.6
178.02260	0.4
179.03436	0.7
179.07126	0.4
181.04959	0.9
183.04416	0.3
185.06026	1.5
187.03954	2.6
189.01929	0.5
190.02686	0.8
191.03514	0.6
191.05695	0.4
193.01389	2.2
193.04988	0.6
195.06555	0.6
196.00087	1.0
203.03368	0.5
205.01360	1.3
205.05089	0.7
219.03064	0.5
223.06097	0.5
227.07135	3.6
229.05005	1.2
235.02522	1.5
240.04118	0.6
245.06705	1.3
253.05061	1.1
265.03598	0.4
268.04077	0.5
269.04514	1.3
270.05203	0.7
271.06171	85.2
272.06534	4.8
283.06229	1.9
284.06522	0.5
285.04025	0.7
287.05484	0.6
293.04694	0.7
295.06091	1.2
299.05795	0.7
311.05673	0.4
313.07156	3.5
315.07294	0.6
325.05649	0.9
335.05847	0.5
343.08090	0.5
367.06790	0.7
371.10013	0.7
373.09381	0.8
377.09357	0.4
383.40884	0.4
415.10364	0.7
425.08942	0.7
427.09000	3.4
431.11920	0.6
445.10257	3.5
487.11307	4.1
533.75653	0.5
545.13049	0.9
547.14673	16.0
548.15179	1.6
565.15674	53.0
566.15997	5.6
579.17297	1.3
607.16785	90.7
608.07837	0.8
608.17133	9.0
608.27063	0.5
649.18738	0.5
979.29858	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	977.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99716	0.1
69.03352	0.9
71.01273	1.9
71.51646	0.2
71.52016	0.1
72.99197	0.2
73.02846	0.6
78.95781	0.1
81.03355	0.5
83.01254	0.7
85.02863	0.7
87.00783	0.3
89.02344	0.2
93.03349	1.5
95.01286	0.4
96.95913	0.4
97.02853	4.3
99.00815	0.2
99.04419	11.8
100.04773	0.3
101.02344	4.0
107.01313	0.2
108.02083	0.2
109.02901	0.2
113.02390	0.6
117.03374	12.5
118.03718	0.5
119.04959	0.4
119.88278	0.1
121.02898	0.2
123.04407	0.1
125.02369	26.7
126.02678	0.7
131.04945	0.3
133.02922	0.3
135.04430	0.5
137.02379	0.2
143.03404	0.8
145.02910	0.6
147.04445	0.3
149.02342	0.4
151.00223	0.3
151.03917	0.1
152.01076	0.2
153.01875	0.2
159.03032	0.1
159.04448	0.5
161.02391	1.9
161.04454	1.0
162.02850	0.1
163.03976	0.8
165.05502	0.2
171.04382	0.2
173.02400	5.3
174.02771	0.2
175.03975	0.4
177.05499	0.7
179.03493	0.3
185.00911	0.2
185.02422	2.8
186.02902	0.2
187.03972	2.3
188.01170	0.3
188.04243	0.2
189.01895	2.4
190.02563	0.2
191.03482	0.4
197.02435	1.5
199.04004	0.3
201.01944	0.4
201.05499	0.2
203.03485	1.6
203.05579	1.0
213.02039	0.2
213.05661	0.1
214.02698	0.2
215.03508	3.2
215.05463	0.3
216.03804	0.2
217.01427	2.7
220.05409	0.1
225.26407	0.1
227.03551	0.6
233.06190	0.2
235.04115	0.1
235.07773	0.3
237.05588	0.2
241.01463	1.2
243.03065	0.2
243.08781	0.7
245.04539	0.6
249.05420	0.2
251.07214	0.2
257.04489	0.1
261.05612	0.4
262.06342	0.2
263.07196	0.5
269.04410	0.3
271.02582	0.7
272.02786	0.2
277.05127	0.3
278.05942	0.3
279.06665	0.6
282.05280	0.2
283.06161	0.4
287.07828	0.3
289.05103	0.3
291.06842	0.2
293.04572	1.0
294.05103	0.2
295.06168	0.3
297.07748	0.4
305.04614	6.0
306.05365	4.2
307.06180	7.5
308.06665	0.6
309.07797	0.4
311.05652	0.5
317.04654	0.5
319.06232	0.2
321.04199	0.3
321.07697	0.2
323.05627	0.7
329.08887	1.8
331.04758	0.3
334.04700	0.2
335.05679	30.3
336.06003	2.5
337.07251	0.5
338.04370	1.2
339.04935	0.3
347.05713	0.5
353.06601	0.6
365.06726	6.3
366.07318	0.6
369.12180	0.8
377.06711	0.6
383.07639	0.3
383.12656	0.2
395.07828	0.4
400.41788	0.1
401.08801	0.3
407.07831	0.4
425.08859	59.0
426.09177	5.8
431.12021	6.0
432.12344	0.4
443.09775	0.2
455.09949	6.8
456.10406	0.7
545.13129	100.0
546.13489	11.3
563.14044	0.3
768.20697	0.2
977.25134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	0.7
69.03329	0.6
71.01266	15.4
71.03528	0.6
72.01602	0.3
72.99186	1.4
73.02834	4.3
75.00759	8.6
81.03339	0.3
83.01273	2.4
83.94948	0.2
85.02841	12.4
85.99973	0.7
86.03195	0.2
87.00764	3.8
87.04401	1.2
88.98708	0.2
89.02339	2.7
93.03359	0.5
95.01280	1.5
96.95919	1.1
97.02831	0.3
99.00774	7.2
100.01134	0.2
101.02340	2.9
103.03898	0.9
108.02083	0.3
111.68905	0.2
113.02351	6.6
113.43298	0.2
114.02645	0.2
115.00259	0.4
115.03925	1.6
119.03398	0.5
119.04935	0.6
125.02343	0.9
131.03413	4.8
135.04437	0.4
137.02332	0.3
137.05931	0.4
139.00262	0.4
143.03432	4.3
145.04997	0.8
146.78453	0.2
150.03065	0.3
151.00272	0.5
151.03955	0.4
152.01039	0.3
153.01941	0.3
157.01352	0.9
161.04536	0.4
163.06058	1.3
165.05513	0.5
179.07051	0.3
190.66661	0.2
205.07144	1.9
223.05974	0.3
253.05165	0.3
271.06116	0.4
403.55347	0.2
455.35422	1.9
457.36960	1.3
525.39471	1.2
569.39044	0.4
571.40082	1.8
572.40417	0.3
615.38971	0.4
893.48798	0.4
911.50232	100.0
912.50586	16.5
961.72034	0.3
974.48792	0.8
975.41632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.259
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99709	0.3
69.03333	0.8
69.39532	0.5
69.39938	1.7
71.01270	2.8
72.99218	0.3
73.02836	1.1
76.23390	0.2
81.03344	0.5
83.01273	0.7
85.02837	1.2
87.00784	0.3
89.02341	0.5
93.03346	1.8
94.54266	0.2
94.75455	0.2
95.01283	0.4
96.95907	0.9
97.02842	4.0
98.19862	0.5
99.00775	0.4
99.04416	11.0
101.02351	4.6
108.02079	0.9
109.02864	0.5
113.02374	1.1
117.03373	13.7
118.03727	0.4
119.04922	0.5
121.02892	0.3
122.58828	0.2
123.04465	0.3
124.28301	0.2
125.02367	24.8
126.02654	0.3
131.04935	0.3
135.04411	0.5
137.02365	0.4
143.03438	0.8
145.02875	0.5
147.04387	0.3
149.02339	0.4
149.04439	0.2
149.06015	0.3
151.00290	0.5
152.01117	1.3
153.01898	0.3
159.04480	0.5
159.12645	0.2
160.01546	0.2
161.02383	2.3
161.04468	1.1
163.03923	0.7
165.01985	0.2
165.05476	0.2
167.03371	0.3
167.14554	0.2
171.04417	0.4
173.02388	4.9
174.02980	0.2
175.00348	0.3
175.03929	0.6
177.01930	0.5
177.05513	0.6
185.02415	2.7
186.02989	0.4
187.03990	2.5
188.01031	0.4
189.01907	1.9
191.03403	0.2
197.02405	1.6
201.01926	0.5
203.03468	0.6
203.05606	1.1
205.05017	0.3
213.02020	0.3
214.02852	0.3
215.03479	3.1
217.01408	3.1
217.04831	0.2
223.06052	0.3
235.07687	0.5
241.01439	1.6
243.03073	0.3
243.08804	0.5
245.04436	0.3
248.04948	0.2
251.07202	0.3
261.05481	0.5
263.07098	0.7
267.03275	0.2
271.02374	0.3
277.05148	0.3
278.05908	0.4
279.06638	0.4
281.04550	0.3
283.06165	0.3
285.03909	0.3
287.07919	0.4
289.05020	0.4
291.06677	0.2
293.04568	2.0
295.06158	0.8
297.07678	0.5
305.04602	5.8
305.08209	0.4
306.05374	3.9
307.06171	7.1
308.06601	0.7
309.07626	0.5
311.05801	0.6
317.04636	0.6
323.05649	0.9
325.07220	0.3
329.08878	2.1
331.04642	0.3
332.74133	0.2
335.05688	23.8
336.05966	1.9
337.07095	0.6
338.04376	1.2
339.04968	0.4
347.05630	0.6
349.07187	0.3
353.06845	0.9
365.02405	0.4
365.06729	6.9
366.07230	0.5
369.11902	0.6
377.06717	0.4
383.07794	0.6
395.07758	0.5
407.07672	0.4
425.08853	83.1
426.09210	6.4
426.13522	0.1
431.11942	5.1
432.12592	0.3
449.10715	0.4
455.09833	0.6
459.13037	0.2
485.10818	0.4
545.13116	100.0
546.13452	10.5
563.14429	0.5
741.74744	0.2
797.18951	0.3
884.23724	0.2
977.24860	3.0
978.26788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25094	0.2
68.99697	1.8
69.03330	0.9
70.11397	0.2
70.11728	0.9
71.01267	21.3
72.01615	0.2
72.99195	2.7
73.02450	0.4
73.02834	5.6
75.00761	8.4
75.29497	0.2
81.03345	0.4
83.01269	3.2
84.02042	0.2
85.02840	12.1
85.99969	1.1
86.03143	0.2
87.00234	0.3
87.00769	6.1
87.04403	1.8
89.02336	6.4
90.10864	0.2
91.40340	0.2
93.03352	0.3
95.01275	3.3
96.95905	0.4
97.02829	0.7
99.00775	9.6
99.04404	0.2
100.01109	0.3
101.02344	10.1
101.03013	0.5
103.03913	2.1
109.02816	0.3
111.00743	0.5
113.02355	10.2
115.00277	0.4
115.03923	2.3
119.03436	1.6
125.02315	0.6
127.00249	0.2
127.03922	0.3
131.03423	4.2
137.02310	0.4
137.06021	0.3
139.00294	0.6
143.03426	5.3
144.03770	0.2
145.04993	0.8
157.01370	0.8
161.04536	1.7
163.06065	1.8
165.05464	0.3
168.02997	0.3
181.05020	0.2
205.07153	4.0
402.17545	0.2
435.28677	0.3
451.32288	3.7
452.32547	0.5
521.36591	2.3
522.36951	0.3
565.35510	0.4
611.35907	0.6
621.23309	0.3
681.25598	1.5
919.47351	0.4
937.48199	100.0
938.48541	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	973.6132
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45927	58.4
71.01261	24.7
85.02351	18.2
92.10942	19.2
92.78877	19.3
96.43161	19.4
98.19814	19.8
103.45042	21.5
113.02421	18.3
151.17369	23.0
199.16478	20.1
211.42247	23.0
226.49492	20.9
255.23276	100.0
277.21805	62.3
348.34253	22.4
397.13467	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99702	1.1
69.03327	0.4
69.81139	1.3
71.01266	17.3
72.99193	1.7
73.02831	4.2
75.00761	7.5
83.01276	3.0
85.02843	13.3
85.99968	0.8
86.03175	0.3
87.00772	4.3
87.04419	1.5
89.02340	2.8
93.03372	0.3
95.01286	2.0
96.95924	1.5
97.02888	0.4
98.20535	0.3
99.00177	0.5
99.00781	7.2
99.04414	0.4
103.03894	0.9
108.02076	0.3
109.02864	0.8
111.00757	0.5
112.01588	0.3
113.02359	7.0
114.02697	0.3
115.00285	0.3
115.03925	1.6
116.92715	0.3
119.03444	0.4
121.02851	0.4
125.02328	1.2
129.01819	0.3
131.03415	5.1
135.04439	0.9
137.02322	0.6
139.00264	0.6
143.03441	3.9
145.05009	0.4
149.04538	0.3
149.06017	0.4
151.00340	0.5
157.01341	0.9
161.02405	0.3
161.04480	0.3
163.03879	0.4
163.06064	1.0
205.07169	2.2
207.03223	0.3
271.06342	0.4
325.31125	0.3
337.14648	0.3
341.13660	0.4
379.11679	0.3
395.11279	0.4
396.11813	0.4
453.33850	1.9
517.20966	0.3
523.38330	1.4
613.38153	0.4
713.24512	0.3
763.43286	0.3
891.46533	0.5
909.48712	100.0
910.49066	23.2
972.49133	1.0
973.34052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	0.8
69.30101	0.8
69.30506	3.1
71.01270	8.5
72.99191	0.7
73.02841	1.8
75.00764	0.4
75.98003	0.3
81.03337	0.5
83.01275	18.3
85.02843	3.4
87.00763	1.6
88.98675	0.9
89.02365	1.8
90.22669	0.3
93.03342	1.3
95.01293	0.9
96.95899	2.1
97.02863	2.8
98.20552	0.7
99.00770	1.4
99.04400	0.6
101.02340	6.0
107.04947	0.5
108.02081	0.8
109.02849	1.5
113.02384	3.4
117.03390	0.8
119.04964	1.8
121.02825	0.7
123.00776	0.4
123.04417	1.4
124.84087	0.3
125.02362	15.7
126.02664	0.7
131.05013	0.3
132.02107	2.2
133.02864	1.2
134.03717	0.4
135.04443	1.8
137.02338	0.9
145.02827	0.5
147.04468	0.5
149.02405	0.7
150.03160	0.5
151.00258	1.3
151.03920	0.5
152.01031	0.7
158.03674	0.4
159.04372	0.6
161.02353	1.5
161.04454	1.1
163.03912	1.2
165.05489	1.6
166.02690	0.4
167.03531	0.6
173.02338	0.5
174.03127	2.6
175.03926	1.2
177.01886	1.0
178.02734	0.4
179.03444	0.7
179.05679	0.4
181.05000	0.9
186.03195	0.5
187.03905	0.5
190.02756	0.8
191.03401	1.4
193.04965	0.8
195.06511	0.5
200.31638	0.4
202.02682	7.3
203.03430	1.3
204.04254	1.1
214.02670	2.3
215.03391	1.0
216.04236	0.4
217.08632	0.5
221.06303	0.4
223.07602	1.5
232.03868	1.0
233.04533	0.5
235.07553	0.7
237.05594	0.7
238.06415	0.7
239.07245	2.4
241.05083	0.5
245.06473	0.9
249.05478	0.7
250.06317	0.8
251.07143	3.4
252.04224	1.1
252.07930	1.9
253.05231	2.0
253.08592	1.1
254.05836	0.4
255.06621	0.5
263.07187	1.1
264.07870	1.3
265.05038	0.6
265.08768	0.4
266.05875	0.7
267.06616	3.8
268.07431	1.9
269.04495	1.1
269.08084	0.5
271.06189	0.8
278.05862	0.9
279.06705	2.7
280.01120	0.3
280.03781	2.7
280.07446	1.4
281.04568	3.6
281.08203	1.1
282.05392	6.0
283.06027	1.2
283.09744	0.6
285.04019	0.7
287.05716	1.2
293.04620	0.7
294.05457	1.9
295.06161	11.1
296.06940	24.0
297.07669	9.3
298.08002	0.6
306.05374	0.7
307.06146	4.8
308.06940	16.8
309.04282	0.5
309.07681	8.3
310.08273	0.5
311.05542	0.5
313.07071	0.7
325.07254	5.1
326.07990	11.6
327.08768	14.2
328.05832	1.1
328.09265	0.8
339.08722	0.7
347.09286	0.4
348.09961	1.1
349.10822	0.9
351.12518	0.5
352.09549	1.5
355.08124	0.8
358.07050	0.9
360.09900	0.5
361.11038	0.7
365.10406	0.5
366.10965	0.7
369.09869	0.8
371.10846	0.4
378.11127	2.4
379.11984	5.3
381.10275	0.4
396.12149	7.4
397.12985	47.1
398.13394	3.9
425.13177	0.4
457.11667	0.5
459.12787	0.9
471.12961	0.7
489.14145	4.4
490.11154	0.9
501.14291	0.6
513.13953	0.6
520.12653	0.6
531.15198	2.7
532.12738	1.2
541.17371	2.0
559.18353	17.0
560.18591	2.2
581.22375	0.6
583.18323	0.8
601.19330	12.9
601.28943	0.6
602.19897	1.8
641.38605	0.6
643.20569	5.2
644.20605	0.8
847.27081	4.1
848.27435	0.7
973.29974	100.0
974.30267	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	970.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	1.3
69.03338	0.7
69.60505	0.6
69.60912	1.4
71.01270	21.7
72.99197	1.7
73.02831	6.2
75.00761	8.9
81.03346	0.3
81.92616	0.3
82.41238	0.3
83.01273	2.8
84.94299	0.3
85.02840	15.8
85.99997	0.9
87.00768	4.8
87.04414	1.7
89.02341	2.9
95.01287	2.1
96.95903	0.8
97.02887	0.4
98.20520	0.6
99.00777	9.6
101.02353	3.0
103.03912	0.8
107.99358	0.3
111.00789	0.5
113.02355	9.0
115.00246	0.3
115.03931	1.7
116.92725	0.4
119.03423	0.5
125.02348	0.7
128.29004	0.3
131.03419	5.6
135.04440	0.3
139.00285	0.3
143.03433	4.5
145.04951	0.3
151.00200	0.3
157.01334	0.7
161.04483	0.4
163.05997	0.8
205.07159	2.6
251.25119	0.3
435.14536	0.4
435.29315	0.4
451.32138	2.8
521.36328	1.2
565.35364	0.4
602.86584	0.3
611.36316	0.4
626.83636	0.3
709.43860	0.3
889.44830	0.4
907.47174	100.0
908.47461	18.0
970.47504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	0.2
69.86749	0.6
71.01274	1.4
72.99168	0.1
73.02824	0.3
75.00772	0.2
79.05409	0.1
81.03337	0.1
83.01274	2.5
85.02850	0.7
87.00787	0.3
88.98683	0.1
89.02350	0.3
93.03339	0.5
95.01242	0.2
95.04929	0.1
96.95892	0.4
97.02856	0.8
99.00794	0.3
99.04414	0.5
101.02347	1.5
105.03308	0.1
107.04932	0.4
108.02087	0.2
109.02871	0.8
113.02357	0.8
116.92751	0.2
119.04938	0.3
121.02856	0.8
123.04397	0.3
125.02367	4.4
131.04936	0.2
133.02849	0.4
134.03629	0.1
135.04454	0.9
136.01570	0.1
137.02374	0.3
143.03474	0.2
145.02856	0.2
147.04419	0.2
148.01567	0.4
149.02383	1.0
149.05991	0.2
151.00331	0.6
151.03928	0.4
152.01048	0.3
153.01898	0.2
160.01605	0.1
161.02396	0.4
161.04503	0.6
165.05486	0.3
167.03415	0.2
173.02368	0.1
175.03984	0.5
175.07642	0.3
177.01917	0.4
183.08087	0.1
185.06041	0.2
187.07613	0.2
189.02086	0.1
193.08643	0.1
197.06076	0.1
199.07684	0.3
201.01849	0.2
201.05536	0.1
203.03497	0.5
203.05319	0.1
205.05107	0.1
211.07660	0.2
213.05557	0.5
214.06033	0.1
215.03566	0.5
215.07065	0.2
217.08762	0.4
225.05565	0.2
227.03529	0.2
227.07230	0.3
231.02974	0.3
231.06494	0.1
238.06523	0.1
239.07141	0.7
240.07706	0.1
241.05103	1.2
243.06711	0.2
245.06667	3.1
251.07213	0.2
253.05013	0.5
255.06697	1.4
256.07425	2.0
257.04623	0.2
257.08115	0.4
265.04984	0.1
265.12482	0.2
267.06708	0.6
268.07404	0.9
269.04553	0.3
269.08200	0.5
271.06158	0.2
277.08865	0.2
277.12079	0.2
279.06644	0.1
283.06079	0.1
285.07745	0.2
286.08453	0.4
287.05396	0.2
287.08887	0.1
289.08792	0.2
290.09586	0.1
291.06946	0.2
291.10257	0.2
293.04785	0.1
293.07956	0.1
299.05591	0.2
303.10416	0.3
305.08438	0.2
305.11777	0.2
306.09067	0.2
307.09625	0.2
309.11307	0.3
310.04849	0.2
315.07166	0.2
319.09906	0.5
321.07761	0.4
321.11469	0.7
322.04974	0.2
322.08521	0.3
323.05664	0.1
325.07019	0.1
331.09775	0.6
333.11450	0.3
334.04846	0.2
335.05640	0.4
335.09271	0.2
337.10947	1.2
337.14661	0.2
339.12604	0.3
347.09244	0.9
348.09949	0.2
349.07095	0.5
349.10904	1.7
350.07895	1.1
350.11292	0.2
351.08582	0.3
351.12540	0.3
359.09375	0.7
361.07324	0.2
362.08145	0.2
363.08804	0.3
364.09128	0.3
365.06467	0.2
365.10394	2.5
366.10684	0.4
367.11938	2.5
368.12469	0.3
369.09824	0.2
371.09848	1.3
375.08716	0.2
377.10373	4.2
378.10989	0.5
393.09842	0.5
394.10504	0.6
395.11417	100.0
396.11774	9.7
409.13016	0.2
431.12256	0.1
437.12543	0.5
449.12973	0.2
517.21027	0.7
539.15558	2.7
540.15961	0.4
557.16748	13.3
558.17108	1.7
585.19568	0.3
599.17871	9.1
600.18341	1.3
639.20886	0.4
641.18787	1.9
642.19318	0.4
665.18207	0.2
683.19989	1.2
684.20172	0.2
697.42023	0.1
701.20898	0.1
845.24969	1.2
846.25787	0.2
935.43756	0.2
971.27386	1.1
971.48248	0.2
972.30304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5659
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01749	0.4
69.03348	1.9
70.04952	0.5
70.05357	0.8
71.01270	17.6
71.04906	1.8
72.99210	1.5
73.02831	3.1
75.00754	0.5
75.76447	0.2
81.03339	1.3
82.49475	0.2
83.01273	2.4
83.04910	1.6
85.02848	4.4
85.06512	1.2
86.00020	0.3
87.00775	3.9
87.04398	0.8
89.02339	13.3
91.03894	0.3
95.01263	1.6
95.04922	0.6
97.02865	3.7
97.06450	0.6
98.50750	0.3
99.00777	1.1
101.02348	13.7
109.02871	0.4
109.06499	1.9
111.00781	0.5
111.04440	1.5
111.08057	0.6
113.02359	7.7
113.03165	0.4
119.03407	3.4
125.01450	0.3
125.02354	4.7
125.09629	0.3
126.02660	0.3
127.07545	0.7
129.01869	0.3
131.03412	0.8
133.05043	0.3
137.09612	0.5
139.03899	0.4
141.01907	0.3
143.03418	2.5
145.04979	0.4
149.04506	0.4
155.78210	0.2
161.04500	3.8
166.90610	0.2
167.10736	0.6
169.05093	0.3
169.35013	0.3
171.10185	1.1
177.12744	0.5
179.05592	3.2
179.10712	0.5
179.14404	1.7
181.12326	0.6
193.12270	0.3
195.13884	10.5
196.14299	0.4
197.11766	0.7
203.14517	0.3
205.12358	0.8
211.13379	0.3
217.07266	0.3
217.15950	0.8
218.16628	0.3
221.06697	0.9
221.15475	7.0
223.13397	4.5
223.16814	0.3
225.14920	0.2
229.19637	0.4
233.15479	0.6
235.08238	5.1
235.17072	0.8
239.16542	2.1
240.16895	0.3
245.06731	0.6
247.20686	1.2
251.16528	0.6
253.09323	2.3
263.07767	0.5
273.18634	1.2
275.20319	0.3
277.21780	47.9
278.22134	2.6
281.21378	0.6
287.07816	1.0
291.19727	23.5
292.20074	2.0
305.08777	1.7
309.20776	100.0
310.21136	5.7
323.09845	1.3
333.20679	0.4
379.12527	2.5
380.12872	0.3
397.13593	45.8
398.13953	2.5
415.14645	13.6
416.15094	0.9
518.12427	0.3
557.46631	0.3
569.42279	0.6
675.36133	3.2
676.36450	0.4
689.34058	2.8
707.35168	2.0
708.36121	0.3
746.36737	0.3
954.69653	0.3
967.57336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5659
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	1.7
69.82767	1.3
71.01270	16.4
71.04908	1.8
72.34024	0.2
72.99204	1.2
73.02837	2.4
75.00762	0.3
81.03357	1.1
83.01262	2.3
83.04921	1.5
85.02844	4.7
85.06487	1.7
87.00287	0.4
87.00771	3.3
87.04417	0.9
89.02336	12.1
93.03316	0.3
95.01269	1.1
95.04908	0.6
97.02847	3.4
97.06490	0.8
99.00777	0.7
101.02347	10.5
101.05961	0.2
106.04140	0.3
107.04947	0.2
108.02106	0.2
109.02869	0.3
109.06502	2.0
111.00748	0.4
111.04439	1.9
111.08076	1.1
113.02353	7.0
119.03403	3.0
121.02830	0.3
123.04374	0.3
125.02368	4.8
127.07535	0.7
128.69081	0.2
129.09084	0.2
131.03409	0.9
135.11777	0.2
137.09622	0.5
139.03899	0.4
141.32260	0.2
143.03424	2.1
149.04468	0.4
149.09605	0.3
155.40538	0.2
161.04492	3.7
166.02890	0.2
167.03523	0.2
167.10689	0.6
169.12270	0.4
171.10202	1.0
175.14897	0.3
177.12808	0.4
179.05574	3.9
179.10706	0.6
179.14328	1.4
181.12286	0.7
183.13887	0.6
189.16393	0.3
191.14507	0.2
193.78534	0.2
195.13881	13.5
196.14241	0.6
197.11798	0.5
199.05988	0.3
205.12367	1.2
211.13303	0.4
217.07198	0.3
217.15974	0.6
221.06677	1.8
221.15475	7.9
222.15970	0.4
223.13397	4.7
223.16908	0.4
224.13849	0.3
229.19530	0.7
233.15456	1.2
235.08229	4.9
235.10420	0.3
235.17070	0.6
239.16541	2.5
245.06717	0.3
247.20726	1.6
251.16516	0.6
253.09315	2.0
253.18080	0.2
259.20670	0.2
263.07745	0.5
263.20297	0.5
265.17969	0.3
266.26639	0.2
273.18723	1.4
275.20450	0.2
277.21780	38.7
278.22083	3.4
281.21136	0.3
287.07751	1.4
291.19730	27.7
292.20120	1.8
305.08817	1.5
309.20773	100.0
310.21112	7.4
323.09839	0.8
333.20850	0.4
341.10806	0.3
351.22211	0.3
379.12506	2.5
397.13586	31.7
398.13898	2.1
415.14645	12.7
416.15125	0.9
569.42267	0.8
675.36121	1.6
689.34180	2.5
707.35101	2.8
708.35785	0.3
740.04803	0.2
967.56244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	0.7
67.49628	0.6
68.99689	1.6
69.03323	1.0
71.01272	31.7
72.18883	0.6
72.97653	0.6
72.99194	3.1
73.02833	8.5
75.00368	1.1
75.00764	14.4
81.03361	0.6
82.13766	0.6
83.01279	4.1
83.04939	0.8
85.02363	1.3
85.02845	21.5
85.99981	1.6
87.00774	9.0
87.04413	1.9
88.62296	0.6
88.98696	1.2
89.02328	5.7
93.03333	0.8
95.01272	3.4
96.95936	5.0
97.02824	0.7
99.00782	15.1
99.04419	0.9
101.02346	6.5
103.03946	0.9
108.02083	1.3
109.02866	1.4
110.26143	0.7
111.00778	0.9
112.01605	0.7
113.02362	13.7
115.00279	0.8
115.03943	2.6
119.03390	1.2
119.04900	1.6
121.02836	1.1
123.04423	0.7
125.02349	3.4
131.03427	7.2
134.03641	0.8
135.04424	1.2
137.05984	2.6
143.03448	5.4
145.02890	1.0
145.05048	1.1
149.02347	1.5
149.05988	0.7
150.03108	1.5
151.00298	2.7
151.03865	1.5
152.01129	1.1
157.01344	1.3
160.03938	1.1
161.02354	1.3
161.04451	1.0
164.04657	1.0
165.05521	3.6
166.02617	1.5
179.07013	0.9
181.05048	1.5
193.23473	0.7
195.06612	0.8
205.07098	2.3
223.05995	0.9
267.12521	0.7
269.04669	1.2
271.05841	0.8
299.05630	1.2
301.07059	2.8
327.21518	0.7
342.45593	0.7
401.15054	0.7
443.68826	0.8
511.34412	1.8
949.48279	1.6
967.49377	100.0
968.49933	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	965.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01790	0.5
67.47673	0.5
68.99713	2.6
69.03340	0.8
71.01270	29.0
71.06557	0.4
71.55822	0.5
72.01595	0.4
72.99199	2.8
73.02833	7.0
75.00761	13.5
78.53210	0.4
83.01272	4.6
85.02842	21.2
85.99978	1.7
86.03178	0.4
87.00773	9.7
87.04424	2.4
89.02345	3.6
95.01296	3.8
96.95930	2.3
97.02850	0.6
99.00785	15.6
99.04437	0.7
101.02352	4.5
103.03922	1.2
108.02063	0.6
113.02357	13.6
115.00288	0.9
115.03940	2.0
117.75535	0.4
119.03424	0.5
123.00750	0.4
125.02370	1.3
131.03424	5.2
135.04463	0.4
137.02237	0.4
139.00229	0.5
143.03442	4.3
145.04973	0.8
157.01379	1.1
161.04491	0.6
163.06018	1.1
183.49980	0.4
205.07132	2.3
315.07254	0.5
318.79361	0.4
373.85651	0.4
405.31836	0.5
409.12744	2.4
439.36142	0.8
485.36591	0.6
509.36609	1.3
511.38022	1.7
553.39130	0.6
555.41296	0.4
579.40723	0.8
599.38892	0.6
625.40875	2.3
627.71960	0.4
630.61224	0.4
669.39679	0.7
737.35663	0.5
921.52374	12.3
922.52808	2.0
926.51239	0.5
927.52661	3.3
947.50952	1.4
965.51349	100.0
966.51709	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01777	0.8
68.99701	2.1
69.03342	1.1
71.01269	25.0
71.40547	0.2
72.01607	0.4
72.99194	2.4
73.02834	6.3
75.00760	12.9
78.18300	0.2
81.03346	0.2
83.01266	3.1
84.02067	0.3
85.02840	20.5
85.99984	1.6
86.03207	0.2
87.00769	9.9
87.04403	2.4
87.69273	0.2
88.01096	0.2
89.02337	3.3
95.01283	2.9
96.95911	0.7
97.02847	0.6
98.20567	0.7
99.00779	14.6
99.04398	0.4
100.01143	0.2
101.02345	2.9
103.03892	1.0
111.00768	0.7
112.01581	0.7
113.02354	11.3
114.02704	0.3
115.00266	0.4
115.03929	2.3
119.03445	0.4
125.02351	0.5
129.01820	0.4
131.03430	5.8
139.00278	0.4
143.03435	4.3
145.05005	1.0
157.01329	0.9
161.04553	0.4
163.06032	1.0
205.07158	2.5
286.56793	0.2
288.10480	0.2
323.18851	0.2
344.88400	0.3
405.32004	0.3
423.32758	0.5
439.35724	0.8
441.37323	0.4
485.36551	0.3
509.36093	2.0
510.36139	0.4
511.38284	2.3
512.38562	0.3
537.35327	0.3
539.37524	0.4
553.39215	0.6
555.40729	0.6
579.40564	0.6
599.39648	0.9
625.41223	3.7
626.42084	0.6
669.40149	0.5
692.43347	0.3
907.47668	0.4
908.48816	0.3
947.50604	1.3
965.51379	100.0
966.51862	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	965.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	0.8
68.99707	2.0
69.03334	1.7
69.60301	0.7
69.60698	2.2
71.01270	34.2
72.01608	0.4
72.99195	3.1
73.02834	9.5
75.00761	14.7
81.03326	0.7
83.01276	5.8
85.02840	24.5
85.99995	2.3
86.03185	0.7
87.00768	8.6
87.04397	2.3
88.98701	2.3
89.02338	3.9
89.80391	0.3
93.03359	0.7
95.01289	3.6
96.95924	4.0
97.02861	1.1
98.20537	0.7
99.00778	16.8
99.04382	0.6
101.02345	5.6
103.03897	1.5
109.02860	1.4
111.00791	0.9
113.02361	12.5
115.00267	0.8
115.03915	1.6
118.04856	0.4
119.03435	0.9
119.04947	0.4
121.02873	0.7
123.04420	0.6
125.02370	1.8
127.39006	0.4
131.03426	7.3
132.54343	0.3
133.02809	0.5
135.04482	0.5
137.05965	0.5
139.00270	0.5
143.03441	5.2
145.04938	0.9
149.02370	0.6
150.03127	0.5
151.00302	1.1
151.03981	0.6
152.01083	0.7
157.01341	1.3
161.02362	1.1
161.04506	0.5
163.03908	0.6
163.06061	1.5
165.01831	0.6
165.05577	0.5
175.03944	0.5
177.01811	0.6
181.04996	0.5
193.08636	0.4
195.06583	0.4
201.09288	0.4
205.07190	3.2
223.06223	0.5
267.74814	0.4
285.66373	0.4
293.04929	0.4
365.10806	0.4
367.11917	0.8
378.11862	0.4
395.11377	0.9
396.12173	1.6
409.13000	0.7
410.13165	0.5
411.14462	1.3
467.31631	0.5
509.32736	2.7
573.20410	0.6
579.36810	0.7
823.30005	0.5
861.46228	0.5
947.47076	1.4
965.47833	100.0
966.48291	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27877	2.7
72.18882	0.3
78.95793	24.6
96.96884	1.7
100.83726	0.3
136.67952	0.3
152.99527	43.1
153.99921	0.5
171.00595	10.2
211.13229	0.3
217.52238	0.3
227.03256	2.6
245.04343	53.1
246.04729	1.2
253.21754	20.4
254.22020	0.9
271.49896	0.3
277.21890	0.3
309.48740	0.3
432.22852	0.3
481.25827	100.0
482.26138	8.6
915.01453	0.4
963.48102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6891
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21909	0.3
69.71349	0.3
71.01261	3.5
71.54546	0.4
72.99184	0.7
73.02828	1.0
75.00784	0.4
81.03348	5.6
83.01281	2.9
83.04917	16.4
85.02831	1.3
86.17844	0.3
87.00757	1.1
88.98650	0.4
89.02322	1.0
93.03343	0.9
95.01272	0.5
96.95927	1.9
97.02866	0.3
99.00767	0.8
99.04421	0.5
101.02352	3.1
108.02055	0.8
108.04469	0.4
109.02857	1.0
111.00809	0.3
111.47984	0.3
113.02345	1.8
116.92772	0.6
119.03342	0.3
119.04955	1.9
121.02842	0.7
123.04395	0.6
125.02333	2.5
125.07089	0.8
126.05543	0.4
135.04427	1.1
136.01579	0.5
137.02365	1.2
143.03403	0.5
145.02867	0.5
149.02455	0.4
149.06018	0.5
150.03108	0.8
151.00285	1.2
151.03923	1.5
152.01114	1.5
153.01802	0.8
153.05479	0.3
157.13477	0.3
160.04001	0.3
161.02374	0.5
161.04462	1.0
163.03810	0.4
165.01898	0.8
165.05496	0.8
166.02628	0.8
167.03409	0.4
175.02483	0.5
175.03931	0.6
177.01910	0.5
179.03398	0.7
181.05006	1.0
193.05026	0.5
195.06567	0.6
196.29825	0.3
205.04980	0.4
207.14958	1.1
224.17662	2.2
225.16089	11.5
241.91975	0.3
242.18770	1.0
245.06715	1.1
245.10403	0.3
253.05170	0.4
260.12970	0.8
269.04553	0.6
271.06198	0.6
283.06021	0.6
284.03223	0.6
285.03955	0.4
293.04611	0.4
299.05701	0.4
309.21814	0.9
311.05493	0.7
313.09497	0.5
324.26810	0.5
333.23071	0.5
335.05786	0.5
341.29257	1.3
367.27133	0.9
387.14484	1.1
417.15399	0.6
431.10706	0.4
433.31873	1.7
450.34595	1.2
451.32974	10.9
452.33109	1.8
545.12909	0.4
550.42950	0.5
567.45819	0.6
593.43805	0.5
659.48749	0.5
676.51672	0.5
677.49884	2.3
776.59473	0.6
819.59399	0.4
885.65857	0.9
903.66705	100.0
904.66980	25.9
963.36414	1.0
964.35834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54956	14.2
69.55363	5.1
71.01262	13.1
73.02840	4.2
73.96635	2.5
83.01277	7.6
85.02854	5.5
87.00798	3.9
89.07722	2.5
93.03394	4.7
96.95921	9.9
101.02361	6.2
105.12224	2.6
107.01291	15.5
108.02125	3.2
109.02854	6.7
113.02326	5.8
116.92816	4.0
121.02866	7.9
123.04397	6.4
124.01521	2.6
125.02368	30.4
134.03651	15.5
135.04427	6.6
137.02419	12.3
143.98814	2.4
148.91388	2.3
149.02379	3.3
151.00304	47.3
151.03851	2.6
153.01848	3.4
161.02368	3.3
165.01884	52.4
165.05444	3.3
167.03436	4.6
173.06085	2.5
177.01924	2.9
177.09184	8.0
181.04974	2.4
182.07256	2.4
189.02136	2.7
189.09187	10.5
193.08815	2.8
211.04068	5.6
212.04723	3.1
223.03989	4.9
225.02122	2.6
225.05545	9.8
226.02762	8.9
227.03545	11.9
228.03897	2.8
237.05560	3.0
239.03563	11.4
240.04260	6.7
241.04909	2.7
251.03519	10.1
252.04286	6.6
253.05089	76.4
254.02393	2.8
254.05617	7.4
265.05060	9.5
265.39154	2.9
266.05942	5.0
267.03052	19.0
267.06219	3.7
268.03781	5.2
269.04718	3.6
279.03027	4.4
281.04648	33.9
294.05386	3.1
307.02509	7.6
331.06183	2.9
358.04715	2.8
359.05621	13.0
360.06424	3.7
361.07214	3.8
365.10330	2.9
371.05817	5.7
377.10226	2.8
387.05142	15.0
388.05914	4.0
389.06775	5.2
402.07529	2.9
405.06259	9.6
415.04623	3.3
429.13513	3.2
441.13470	4.5
443.15216	14.0
453.13525	5.1
457.12894	19.2
459.11526	5.6
471.14474	12.1
497.12738	3.8
498.07352	5.1
503.17224	17.1
577.15350	5.9
605.14716	4.3
699.26221	3.0
713.17822	13.4
741.16101	5.5
801.45673	4.0
887.28271	5.0
903.27344	35.4
904.28357	7.8
913.25854	100.0
914.25623	14.8
924.51385	3.6
925.50165	3.6
931.26575	28.1
932.27417	9.3
945.28320	11.2
963.29053	53.0
963.46429	3.8
964.30060	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	963.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.3
69.40910	3.6
71.01275	7.9
72.99185	0.6
73.02850	1.5
75.00767	0.9
81.03325	1.1
83.01277	20.8
85.02837	2.6
87.00759	3.0
89.02325	1.5
93.03351	2.5
95.01263	1.8
96.95911	2.1
97.02866	3.1
99.00764	1.2
99.04415	1.2
101.02350	5.7
103.55153	0.6
108.02083	18.7
108.02826	0.9
109.02873	9.0
111.00811	1.0
113.02362	4.2
117.03397	0.9
119.03527	0.7
119.04951	4.4
121.02871	2.7
122.03649	0.9
123.00782	0.6
123.04409	2.0
125.02364	16.7
132.02049	0.6
133.02855	1.7
134.03688	0.7
135.00793	1.1
135.04419	2.6
136.01575	1.5
136.04865	0.5
137.02354	2.1
143.03456	0.9
145.02888	1.4
145.63084	0.6
147.04478	1.0
148.01599	2.8
149.02409	2.9
150.03198	1.1
151.00304	8.9
151.03929	2.7
152.01094	21.1
153.01886	10.3
161.02406	1.9
161.04495	2.8
161.05849	0.5
163.03925	2.1
164.04701	1.0
165.01886	1.2
165.05418	1.2
165.36708	0.5
166.02641	0.7
167.03435	1.1
175.02463	1.1
175.03835	1.2
177.01886	7.3
177.05493	2.1
178.02396	0.7
179.03464	1.1
181.05023	1.6
187.03947	0.8
188.04518	0.5
189.05440	0.6
190.02718	0.7
191.03429	1.3
193.01376	0.7
193.04980	1.4
195.06622	1.3
203.03410	0.6
205.04933	1.0
217.08788	0.6
223.06140	1.7
245.06696	1.5
251.06973	0.7
253.05081	8.7
255.06532	0.7
263.07275	0.6
265.04974	0.7
267.06662	1.3
268.07422	1.4
269.04584	1.7
270.35910	0.6
271.03336	0.7
271.06213	5.4
279.07071	0.6
280.07425	1.5
281.04385	0.9
283.06171	3.2
285.04193	3.2
287.05734	1.4
295.06085	3.8
296.06747	1.2
297.04239	0.7
297.07690	2.5
299.05719	4.7
307.06250	2.4
308.06836	1.5
309.04279	1.1
309.07648	2.1
310.08316	0.7
311.05600	1.5
312.06403	3.9
313.06824	6.0
315.07269	27.5
316.07608	1.6
321.07806	1.3
323.05707	1.8
324.06473	3.2
325.07230	13.1
326.07751	1.4
327.05139	5.3
327.08875	2.4
335.05710	1.1
336.06424	0.8
337.07150	6.8
338.07910	1.8
339.07242	6.8
341.06573	2.7
342.07437	2.8
343.08313	27.9
344.08795	2.6
349.07159	2.4
353.06784	3.6
353.10541	0.8
354.07535	4.4
355.08234	7.1
356.08948	3.8
357.09906	6.9
358.10114	0.7
367.08191	8.1
368.08887	3.2
369.09299	3.0
371.07788	25.0
372.08545	49.7
373.09024	5.5
381.08698	0.8
383.06241	8.6
385.09344	22.0
385.14212	1.2
386.10065	16.3
387.10892	48.5
388.11337	5.0
397.09576	0.6
401.07278	3.9
459.11749	0.7
477.12085	2.2
501.12729	0.7
531.15161	1.8
549.16266	17.7
550.16901	2.8
561.16284	0.7
579.17114	3.8
580.17474	0.8
591.17352	13.5
592.17761	2.0
633.18384	6.3
647.16071	1.2
711.31726	0.7
837.24957	5.4
838.26147	1.0
853.86591	0.6
963.27808	100.0
964.27985	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	1.8
70.26748	2.4
71.01273	18.4
72.01582	0.6
72.99207	1.6
73.02847	3.1
81.03361	0.9
83.01281	2.7
85.02842	4.5
87.00784	4.9
89.02337	14.8
95.01281	1.2
95.04924	0.8
96.95912	1.3
97.02876	2.8
99.00756	1.2
101.01711	1.0
101.02348	12.2
103.16798	0.6
113.02363	8.4
119.03396	3.7
125.02341	6.3
131.03418	0.8
143.03421	1.7
156.36147	0.6
161.04530	3.3
163.26384	0.6
166.40834	0.6
167.14368	1.0
179.05630	3.0
183.13921	5.8
193.12308	1.7
211.13393	100.0
212.13730	5.2
220.05379	0.6
221.06624	1.0
223.37370	0.6
235.08228	4.8
253.09399	1.1
259.08148	0.7
263.08185	0.8
277.21793	58.2
278.22058	3.3
287.07837	1.7
291.23422	0.8
305.08878	1.7
306.26440	0.7
308.42044	0.6
323.10092	1.6
379.12570	12.6
380.12869	1.1
386.77670	0.6
397.13608	39.9
398.13782	3.2
415.14819	6.5
481.80850	0.7
591.26752	10.4
592.26788	1.2
609.27869	6.3
626.64929	0.7
657.34998	3.9
675.36151	7.7
676.36975	0.8
708.98889	0.6
822.93408	0.7
869.48706	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	963.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99712	0.3
69.03341	0.8
71.01273	3.5
72.99198	0.3
73.02834	1.3
80.04961	0.3
81.03362	0.9
83.01268	2.8
85.02845	3.8
87.00766	0.8
89.02339	0.7
93.03358	2.4
95.01273	2.3
96.95901	0.9
97.02844	0.8
98.19827	0.5
99.00786	1.0
101.02333	2.1
107.00621	0.5
107.01302	5.4
108.02077	57.8
109.02878	22.6
110.03192	0.3
113.02362	2.4
117.03378	0.7
118.78065	0.2
119.04946	8.0
121.02861	2.4
123.00814	2.2
123.04394	1.5
124.01583	0.3
125.02362	4.9
132.02074	0.3
133.02882	3.2
134.03688	0.3
135.00800	3.2
135.04454	1.3
136.01622	0.7
137.02368	1.4
139.03963	0.3
143.03545	0.4
144.17175	0.3
145.02921	1.5
147.04507	0.3
147.65489	0.2
149.02431	1.3
150.03148	0.3
151.00308	18.3
151.03925	3.7
152.01091	68.0
153.01880	29.9
154.02237	0.9
159.03014	0.4
161.02382	0.8
161.04480	0.8
161.05983	0.6
163.03954	2.1
165.01888	3.9
165.05489	0.5
166.02609	0.8
169.01395	0.8
169.18071	0.3
175.00276	0.7
175.03972	0.9
176.01027	1.2
177.01889	25.3
178.02315	1.0
179.03398	0.4
181.05042	1.9
182.16805	0.2
183.67946	0.2
185.06024	0.5
187.03987	0.8
189.01945	0.4
189.05576	0.3
191.03471	0.7
193.01421	0.3
193.05061	0.7
194.05759	0.3
195.02992	0.6
199.03981	0.3
203.07147	0.4
205.01369	0.3
205.04984	0.3
207.02895	0.4
209.08284	0.3
217.05075	0.9
219.02963	0.5
225.03993	0.8
227.07086	0.7
235.02544	0.3
241.05176	0.3
253.04895	0.4
269.04590	0.8
271.03128	0.3
271.06189	9.6
272.06503	0.8
285.04126	4.1
287.05688	0.3
288.83020	0.3
289.12137	0.3
311.05667	0.3
313.07208	0.4
315.07288	100.0
316.03867	0.4
316.07599	5.5
333.10837	0.3
339.07272	29.9
340.07501	1.6
353.10278	0.4
357.08542	0.8
371.07135	0.3
372.08344	0.4
383.06274	22.4
384.06720	1.7
385.09305	0.6
387.10733	0.8
387.14645	0.9
401.07312	15.6
402.07599	0.8
459.11438	0.8
477.12149	1.3
515.15515	0.4
545.13190	0.7
579.17340	5.8
580.17462	0.7
587.19678	0.3
597.23547	0.9
647.16522	1.3
648.16620	0.3
963.23993	17.5
964.24695	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	961.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.5
71.01273	14.1
71.22010	1.4
72.99199	1.8
73.02839	2.5
81.03349	0.9
83.01272	1.8
85.02855	3.9
87.00766	5.2
89.02338	10.7
95.01296	1.5
97.02844	2.2
101.02349	11.4
113.02341	5.5
117.77559	0.7
119.03427	2.6
125.02347	5.1
131.03387	0.8
141.01662	2.9
143.03397	1.9
161.04504	3.2
179.05540	3.8
183.13881	7.6
193.12386	1.4
211.13390	100.0
212.13757	4.0
221.06522	1.2
235.08224	4.5
244.56282	0.7
253.09373	0.9
277.21786	46.7
278.22214	3.5
287.07452	0.9
305.08801	2.5
323.09943	1.9
335.21381	0.7
373.36313	0.9
379.12463	13.9
397.13611	39.2
398.13910	1.7
413.34775	0.7
415.14600	7.0
591.26660	13.1
592.27148	1.7
609.27655	10.3
610.28448	1.5
657.34833	2.6
670.07178	0.9
675.36145	4.2
818.36285	0.9
869.49438	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	958.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99694	1.1
69.03332	0.8
70.61881	0.6
71.01270	20.4
72.99201	1.3
73.02836	6.0
75.00765	9.2
75.01198	0.4
78.23091	0.2
83.01276	2.4
85.02845	15.7
85.99985	1.0
87.00769	4.6
87.04420	1.4
89.02336	2.8
95.01287	1.6
97.02847	0.2
99.00780	8.7
101.02345	2.7
103.03917	1.2
111.00773	0.4
112.01595	0.5
113.02363	7.2
115.00285	0.4
115.03922	2.3
119.03398	0.5
125.02359	0.3
131.03438	5.1
137.06023	0.3
139.00301	0.4
143.03435	4.1
145.05005	0.6
157.01355	0.9
163.06058	1.6
165.05424	0.3
205.07159	1.8
254.99327	0.2
423.32697	0.3
439.35846	2.1
509.40118	1.8
510.40445	0.3
553.39587	0.3
599.39594	0.3
600.40344	0.2
642.17639	0.2
648.63513	0.2
877.48871	0.4
895.50793	100.0
896.51086	21.6
958.50000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.5
68.99702	1.7
69.03346	0.5
71.01268	23.1
72.01598	0.2
72.99191	2.7
73.02834	6.0
75.00761	8.9
78.62435	0.2
79.29213	0.2
81.03341	0.3
83.01276	3.5
83.01779	0.2
85.02840	14.2
85.99983	1.3
86.98140	0.1
87.00230	0.3
87.00770	6.9
87.04412	1.9
89.02336	7.8
95.00716	0.3
95.01286	3.8
97.02850	0.7
98.20539	0.6
99.00781	8.5
99.04417	0.3
99.72175	0.2
101.02342	11.3
102.02712	0.2
103.03906	2.9
109.02893	0.3
111.00795	0.7
112.01596	0.5
113.02358	10.1
115.00287	0.5
115.03933	2.7
119.03410	1.6
125.02351	0.4
127.03915	0.4
129.01854	0.2
131.03427	4.6
139.00313	0.3
143.03433	5.9
144.03815	0.2
145.04993	0.9
157.01378	1.0
161.04506	1.4
163.06073	2.4
182.07253	0.2
205.07135	4.4
259.64682	0.2
330.60892	0.1
337.34775	0.1
345.03656	0.1
367.76266	0.2
421.31375	0.2
423.32703	0.2
439.35837	2.6
440.36346	0.5
441.37375	0.3
459.38495	0.2
485.36615	0.3
509.40005	2.9
510.40506	0.5
537.39166	0.2
553.39148	0.4
599.40076	0.8
717.46051	0.2
901.30499	0.2
907.50647	0.6
925.51825	100.0
926.52179	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	957.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01782	0.5
68.99690	1.8
69.03355	1.5
69.36243	0.7
69.36641	4.2
71.01269	35.4
71.04894	0.6
72.99203	5.2
73.02838	9.6
75.00359	1.0
75.00764	14.2
80.24103	0.5
83.01283	5.3
85.02840	27.2
85.99989	1.9
86.03193	0.7
87.00764	12.2
87.04415	3.1
88.98702	0.6
89.02337	10.3
91.85348	0.4
93.03355	2.0
95.00729	0.6
95.01286	6.6
96.95905	2.4
97.02839	1.5
99.00780	17.9
99.04406	0.9
100.01115	0.5
101.02338	14.7
103.03912	2.4
108.00701	0.5
108.02088	3.0
109.02858	2.1
111.00773	1.0
112.01553	1.6
113.02360	17.6
114.02687	0.6
115.00273	1.4
115.03946	2.5
116.92777	1.5
117.03376	0.5
119.03455	2.9
119.04941	1.9
121.02900	1.6
123.04465	0.8
125.02356	6.1
131.03424	6.0
133.02809	0.6
134.03595	0.9
135.04402	2.5
137.02371	3.5
139.00285	1.2
143.03432	7.6
145.02892	1.1
145.05013	1.0
146.03642	0.6
147.04424	0.7
149.02359	1.8
149.06015	1.1
150.03108	1.1
151.00296	2.4
151.03947	0.7
152.01099	3.5
153.01910	2.2
157.01352	1.6
159.02988	0.7
159.04457	0.6
161.02373	2.0
161.04491	2.1
161.05983	0.6
163.03844	0.5
163.06082	2.0
164.04716	0.9
165.01900	1.9
165.05516	1.1
166.02589	0.7
167.03462	0.7
175.03929	1.1
176.04750	0.7
177.01843	1.0
179.03442	0.9
179.05522	1.0
179.06982	0.5
180.04221	1.4
181.05066	0.7
190.02702	1.0
191.03253	0.6
194.05751	1.2
195.06590	2.7
205.05058	1.3
205.07167	4.5
205.12398	0.7
207.10336	0.6
209.08226	1.6
223.06146	1.3
253.04999	1.0
255.06697	1.0
269.04581	1.9
270.08929	0.8
271.06302	0.6
271.09650	0.9
283.06036	0.6
285.04089	1.3
299.05670	0.9
301.10889	0.7
315.07321	1.0
339.12451	0.8
342.11407	0.5
353.41537	0.5
416.66422	0.5
425.34360	1.0
453.17789	1.1
465.17703	0.5
473.36530	1.1
533.09302	0.5
545.12933	0.6
795.26758	0.5
939.49622	0.7
957.50848	100.0
958.36896	0.8
958.51221	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01771	0.5
68.99710	1.3
69.03342	0.6
69.91666	1.1
69.92078	0.4
71.01272	19.4
72.99196	2.2
73.02452	0.3
73.02836	6.0
75.00767	9.7
75.01198	0.6
83.01276	3.1
85.02847	16.2
85.99983	1.0
87.00777	5.4
87.04411	1.4
88.98700	0.4
89.02346	3.1
95.01291	2.1
96.95934	0.4
97.02819	0.3
99.00786	8.6
101.02368	3.1
103.03899	0.9
111.00758	0.5
112.01585	0.4
113.02354	7.4
115.00259	0.3
115.03909	1.7
116.92759	0.6
119.03360	0.3
125.02357	0.5
131.03430	6.0
139.00328	0.3
143.03439	4.9
145.05017	0.6
157.01343	1.1
163.06073	1.2
205.07144	1.8
405.27850	0.3
421.31244	0.7
437.34134	2.5
438.34583	0.8
439.35898	0.5
504.29623	0.3
507.38913	1.3
551.36084	0.3
875.48669	0.5
893.49274	100.0
894.49603	22.3
956.50555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01774	0.8
68.99711	2.3
69.03344	0.8
70.92198	0.4
71.01271	34.9
72.01602	0.6
72.99198	4.1
73.02835	9.4
75.00766	12.4
81.03362	0.6
83.01279	4.6
84.02077	0.3
85.02844	20.5
85.99991	2.4
86.03190	0.4
87.00776	9.9
87.04424	2.6
89.02339	10.8
93.03354	0.4
95.01289	4.6
95.01862	0.2
96.95907	0.5
97.02856	1.1
99.00778	14.2
99.04417	0.7
101.02347	15.7
103.03916	3.8
107.04920	0.6
109.02853	0.7
111.00783	1.0
112.01568	0.7
113.02358	15.5
114.02692	0.5
115.00276	0.6
115.03941	4.0
119.03417	2.6
119.04882	0.3
121.02853	0.2
125.02377	1.6
127.03939	0.5
129.01848	0.4
131.03427	7.1
135.04440	0.9
137.02417	0.7
138.02625	0.2
139.00298	0.8
143.03442	9.4
144.03792	0.4
145.04968	1.4
149.02403	0.4
150.03181	0.3
151.00327	0.6
152.01068	0.3
153.01840	0.3
157.01399	1.4
161.04518	2.1
163.03986	0.3
163.06064	2.5
165.05492	0.5
179.05717	0.2
181.04982	0.3
189.04192	0.2
205.07162	5.5
206.05576	0.2
208.18100	0.2
210.12990	0.3
232.36687	0.2
247.08084	0.3
271.06183	0.5
287.05685	0.3
313.20047	0.2
423.32681	0.6
439.32135	1.1
441.33676	1.0
469.33301	2.0
471.34540	0.3
475.23230	0.3
509.36417	1.0
535.20227	0.3
539.37299	1.2
629.37073	0.8
745.29041	0.4
775.27844	0.3
937.47717	1.5
955.49280	100.0
956.49567	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	955.493
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01777	0.8
67.04412	0.2
68.99706	2.5
69.03355	1.7
69.62660	0.4
69.63065	0.8
71.01272	39.0
71.04925	0.3
71.34592	0.2
72.01597	0.4
72.41265	0.2
72.99200	3.8
73.02229	0.3
73.02837	12.2
75.00764	15.9
79.19445	0.2
81.03349	0.4
83.01279	5.3
84.02065	0.4
85.02845	26.1
85.99996	2.3
86.03178	0.4
87.00773	12.3
87.04409	4.3
89.02338	8.4
95.01286	5.4
96.95933	0.4
97.02853	1.4
98.20531	0.3
99.00780	17.8
99.04433	0.7
100.01099	0.3
101.02350	15.9
102.02682	0.4
103.03924	3.3
107.04944	0.3
109.02872	0.4
111.00790	0.8
112.01574	1.0
113.02361	18.0
115.00283	0.7
115.03923	4.6
116.04324	0.3
119.03431	2.2
119.04945	0.3
125.02377	1.3
127.03962	0.3
129.01819	0.6
131.03430	7.0
135.04436	0.6
139.00279	0.8
143.03439	8.5
144.03792	0.3
145.04968	1.3
151.00237	0.3
152.01105	0.3
157.01395	1.4
159.02928	0.7
161.04509	1.5
163.06084	2.3
165.05531	0.5
168.83914	0.2
181.04994	0.2
205.07155	4.9
247.08057	0.3
339.26889	0.4
405.31784	0.4
423.32715	1.1
423.80612	0.3
439.32281	1.6
441.33917	1.9
459.18747	0.2
469.33243	2.4
470.33289	0.3
471.34894	0.4
509.36523	1.2
537.36749	0.3
539.37451	0.8
555.36890	0.7
565.15363	0.3
629.36884	0.5
647.37769	0.3
937.48450	1.4
955.49298	100.0
956.49524	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	955.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01777	0.7
68.99702	1.7
69.03317	1.5
69.47471	1.2
69.47913	1.6
69.72372	0.3
69.88694	0.4
71.01266	33.5
72.01609	0.9
72.99196	3.9
73.02833	9.4
73.99185	0.3
75.00759	13.9
81.03339	0.6
83.01277	4.8
84.02048	0.4
85.02839	26.4
85.99986	2.2
86.03230	0.4
87.00773	12.0
87.04408	3.1
89.02336	9.6
93.03352	1.9
95.01283	6.5
95.04975	0.5
96.95909	2.8
97.02830	1.3
99.00773	16.7
99.04399	0.9
101.02342	13.8
101.30681	0.3
103.03908	1.9
107.01251	0.6
108.02061	0.8
109.02857	1.4
111.00774	1.2
112.01546	1.0
113.02354	18.6
114.02654	0.4
115.00275	0.9
115.03926	3.0
116.92761	0.5
119.03431	2.3
119.04902	0.7
121.02855	0.7
122.03588	0.3
123.04388	0.6
125.02354	3.8
127.03936	0.6
131.03430	7.3
134.82616	0.3
135.04422	1.2
135.51927	0.4
137.02379	1.7
138.55630	0.3
139.00279	1.8
143.03436	7.9
145.02898	0.4
145.04991	1.2
149.02357	1.0
150.03110	0.8
151.00272	1.4
151.03944	0.9
152.01132	0.8
152.40784	0.4
153.01880	0.4
157.01357	1.4
159.03053	0.5
161.02338	1.1
161.04501	1.6
162.03094	0.4
163.04002	0.6
163.06062	2.6
164.04697	0.4
165.01915	0.4
165.05473	1.4
166.02658	0.6
175.03952	0.4
177.01825	1.0
179.07039	0.5
181.05043	0.5
187.04066	0.4
190.02631	0.7
195.06549	0.6
205.05055	0.9
205.07082	4.1
209.08125	0.4
223.06097	0.6
228.40848	0.4
229.09134	0.4
265.61798	0.4
269.04608	2.6
271.06195	1.8
285.04025	0.5
287.05307	0.5
295.06354	0.3
299.05978	0.6
328.05728	0.4
353.10373	0.4
359.15128	0.4
439.32062	0.5
451.32355	0.8
471.34827	0.8
488.01044	0.4
775.21442	0.4
793.24634	0.6
937.48254	1.0
955.49268	100.0
956.49609	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99697	2.5
69.03339	1.4
71.01267	32.0
71.22224	1.0
72.99188	3.5
73.02841	8.0
74.84165	0.5
75.00761	12.2
78.95789	0.7
82.74773	0.5
82.95273	0.5
83.01270	5.5
85.02840	18.2
85.99989	1.8
87.00772	9.1
87.04395	3.3
89.02337	9.7
95.01289	5.5
96.95924	3.5
97.02869	1.2
98.95520	0.6
99.00177	0.9
99.00777	12.7
101.02347	13.2
102.02653	0.5
103.03927	3.2
111.00778	1.0
112.01600	0.8
113.02350	11.2
115.03941	2.5
116.92769	0.6
119.03391	1.9
125.02341	1.5
131.03435	5.4
139.00314	0.5
143.03441	6.1
145.04999	1.4
146.03694	0.6
157.01387	0.9
161.04555	1.2
163.06082	3.0
163.42838	0.5
176.74944	0.5
205.07103	3.7
240.75729	0.5
271.35773	0.5
294.82413	0.5
298.32559	0.4
397.13419	0.6
467.35382	3.6
537.39807	2.0
609.38306	0.5
627.38855	0.6
935.50616	1.8
953.51343	100.0
954.51648	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	953.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	2.3
69.03327	1.7
69.81361	1.7
69.81763	4.2
70.19873	0.9
71.01271	34.7
72.99197	3.5
73.02834	9.7
75.00761	16.6
78.95755	1.0
83.01283	5.4
85.02840	24.5
85.99983	1.8
87.00779	10.0
87.04408	2.1
88.09740	1.1
89.02361	6.6
95.01292	6.2
96.95899	4.2
97.02827	1.0
98.20562	1.5
99.00778	14.3
101.02353	13.4
103.03921	2.2
105.43881	0.9
113.02350	15.0
115.03893	2.4
116.92784	1.7
119.03457	2.2
125.02340	2.0
131.03418	5.4
139.00276	1.1
143.03458	6.3
145.04999	1.6
157.01410	1.0
161.04507	1.3
163.06032	2.5
202.11755	1.1
205.07205	4.6
309.46054	1.1
337.83398	1.2
359.12915	1.1
362.93524	0.9
467.35214	5.0
537.39410	1.6
605.60669	1.1
633.68848	1.2
935.50519	2.0
953.51422	100.0
954.51648	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	955.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99707	0.5
69.03341	1.2
71.01269	13.6
71.21239	0.2
71.56049	0.4
71.56481	0.3
72.99187	0.9
73.02836	3.4
74.66560	0.3
75.00763	1.1
81.03351	1.1
83.01279	100.0
84.01627	1.8
85.02839	8.6
85.99999	0.3
87.00768	1.0
87.04404	0.3
87.07058	0.3
89.02339	1.7
92.90401	0.3
93.03365	0.8
95.01308	1.7
96.95939	1.4
97.02854	4.2
99.00776	2.5
99.04433	2.2
101.02349	28.6
102.02684	0.6
107.04973	0.3
108.02075	1.4
109.02869	0.8
111.00800	0.7
111.04471	0.6
112.10672	0.2
113.02359	12.4
116.92760	0.4
117.03340	0.8
119.03490	0.4
119.04971	0.8
123.04450	1.1
125.02373	21.0
126.02693	0.6
131.03398	0.9
132.02097	0.7
133.02890	0.5
134.03682	0.4
135.04480	1.5
137.02385	0.8
139.03996	0.3
142.02638	0.9
143.03439	4.5
148.36348	0.3
149.02341	0.4
151.00317	0.4
151.03944	0.7
152.01143	1.5
153.01868	0.8
153.05547	2.0
155.03456	0.8
159.02997	0.5
161.02428	0.5
161.04501	11.0
167.03438	2.0
171.08003	0.3
175.03908	0.4
177.01839	0.9
185.04526	0.5
199.07704	0.4
203.03761	0.4
203.05585	1.0
205.07138	0.5
215.03484	0.9
217.08749	0.3
225.05630	0.5
227.05537	2.6
231.03061	0.3
239.07178	1.0
241.05031	1.6
243.06667	0.4
245.06691	49.6
246.07039	2.1
253.05107	0.6
255.06645	2.0
256.07419	2.5
267.06650	1.2
268.07495	1.6
269.06757	1.0
285.04129	0.4
285.07678	0.8
286.08536	0.9
287.07928	1.5
305.08426	0.3
305.12030	0.4
306.05228	0.4
315.07324	1.9
317.11874	0.5
319.09595	0.4
329.08829	0.3
331.09811	0.9
333.07651	0.9
334.08441	1.4
335.12961	1.0
339.07288	0.7
343.09732	0.7
347.09238	0.4
348.10022	1.0
349.10709	1.7
351.12445	0.3
359.08975	0.3
360.10092	1.2
361.10858	3.5
371.09912	9.6
372.10223	0.7
377.10648	0.3
378.11179	1.6
379.11948	74.8
380.12225	7.0
383.06149	0.7
413.10919	0.6
425.22333	0.3
471.35001	0.4
523.16315	2.8
524.16748	0.6
541.17249	6.1
542.17908	0.6
583.18304	3.0
584.18500	0.5
587.21021	0.3
625.19373	5.2
626.19507	0.7
667.20575	1.9
955.49860	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	953.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99703	1.7
69.03331	1.8
71.01271	31.3
72.99201	3.9
73.02836	7.9
75.00777	4.7
81.03358	0.9
83.01273	5.1
83.04916	1.8
85.02843	16.3
85.99991	1.9
87.00774	8.7
87.04444	1.3
88.98701	1.6
89.02343	7.8
93.03379	0.9
95.01290	3.6
96.95912	5.7
97.02860	1.8
97.40725	0.5
99.00782	17.0
99.04398	0.7
101.02345	10.2
103.03934	1.9
107.01308	0.9
108.02087	1.1
109.02866	1.2
112.01591	1.1
113.02364	11.3
115.00292	0.9
115.03921	1.8
116.92811	1.0
119.03440	2.3
119.04935	3.7
121.02923	1.4
123.08082	0.8
125.02354	4.2
131.03427	3.2
134.03676	0.9
134.06027	0.6
135.04436	1.7
136.01607	0.8
137.02371	1.8
137.05986	0.7
139.00354	1.0
139.10718	0.7
143.03430	4.7
145.02899	1.0
145.05028	1.2
149.02374	1.6
149.06053	1.0
151.00311	1.9
151.03870	1.3
152.01096	1.3
157.01372	1.2
160.03966	0.7
161.02443	0.6
161.04538	1.5
162.03284	0.6
163.03955	1.3
163.06064	1.2
164.04811	1.0
165.01904	1.3
165.05524	2.0
175.03981	1.0
178.06285	0.7
179.03398	0.9
179.05563	0.7
181.05014	1.2
190.02690	1.0
193.05005	1.1
193.08578	0.8
195.06564	1.3
197.00586	0.6
205.05132	0.8
205.07162	2.1
225.07225	0.5
229.52135	0.7
269.04803	0.8
271.06247	1.6
284.03412	0.7
299.05609	1.0
335.12900	0.7
351.09454	0.7
405.31577	0.8
409.31229	0.7
423.32690	1.6
433.15085	0.7
454.91733	0.6
467.31979	0.8
469.33243	3.0
537.36267	2.7
538.36609	0.9
551.34039	1.9
565.36151	0.9
583.36462	3.3
601.37634	0.8
627.35773	7.4
628.35663	1.4
727.41248	0.8
745.41278	1.1
863.29523	0.9
935.46796	1.3
953.47809	100.0
954.29681	1.3
954.48120	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	953.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99709	2.0
69.03342	0.8
71.01272	28.9
71.51978	0.9
72.99203	3.4
73.02837	6.7
73.45818	0.5
75.00764	5.8
81.03361	1.2
83.01280	4.9
83.04897	0.8
85.02841	15.0
85.99979	1.3
87.00777	8.1
87.04428	1.7
88.98679	0.7
89.02338	6.6
93.03362	2.2
94.82112	0.6
95.01283	4.5
96.95914	6.8
97.02889	0.7
99.00170	1.2
99.00780	18.8
101.02354	9.5
103.03915	2.0
107.01306	1.5
108.02081	3.7
108.65919	0.6
109.02884	2.9
111.00777	1.1
112.01637	1.2
113.02358	11.9
115.00258	1.4
115.03914	2.3
116.92761	0.8
119.03403	1.7
119.04936	1.9
121.02837	1.2
123.04465	0.9
123.08044	0.7
123.48055	0.6
125.02372	8.7
126.75861	0.6
129.01874	1.1
129.69159	0.6
131.03416	3.9
133.02887	0.7
134.03673	1.1
135.04428	2.2
137.02373	3.2
137.06061	0.7
139.00267	0.6
143.03436	4.2
145.02878	1.2
145.05028	0.7
147.04500	0.9
149.02365	2.0
150.03180	1.4
151.00337	2.7
151.03958	1.1
152.01097	4.2
153.01869	2.4
153.05463	0.6
157.01346	0.9
160.01579	0.9
160.03954	1.2
161.02380	1.9
161.04521	1.0
161.06104	0.5
163.03954	0.8
163.06052	1.3
164.04810	1.3
165.05547	1.3
166.02687	0.6
175.04039	1.0
177.01752	1.1
179.03494	1.3
179.07100	0.6
190.02725	1.4
193.05045	1.2
193.08850	0.6
194.05804	0.9
195.06636	0.7
205.05208	1.0
205.07191	1.9
216.67989	0.6
223.06105	0.7
233.06746	0.6
233.57123	0.6
243.10335	0.8
253.05139	0.6
255.07053	0.9
257.08298	0.7
269.04608	1.6
271.06192	1.3
271.09845	0.5
284.03256	1.4
285.04086	1.4
287.05643	1.1
299.05673	1.8
305.61044	0.6
315.07324	1.4
351.08862	0.8
351.21518	0.6
423.32495	1.3
427.13953	0.8
467.31851	1.6
469.33301	2.7
529.78320	0.7
537.36053	3.4
551.33990	1.4
583.36407	4.7
584.37018	0.9
601.37701	0.8
627.35291	4.2
656.70032	0.7
727.40387	0.7
745.41284	1.5
935.47491	1.9
936.47278	0.9
939.46747	1.3
953.47833	100.0
954.48022	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67951	0.8
68.99709	1.5
69.03342	1.2
71.01270	35.4
71.53930	0.8
71.54350	1.3
72.99202	4.3
73.02836	8.9
75.00764	14.3
81.03313	0.8
83.01282	5.1
84.02045	0.8
85.02843	26.4
85.99975	2.0
86.03132	0.8
87.00774	12.9
87.04397	3.2
88.98673	1.6
89.02325	10.5
95.01273	6.4
96.95886	3.5
97.02867	1.4
98.35345	0.7
99.00779	19.6
101.02348	11.9
103.03909	2.5
108.02087	0.7
109.02858	1.0
111.00793	1.5
112.01588	1.1
113.01623	1.4
113.02352	17.4
115.00282	1.1
115.03928	2.4
116.92801	1.1
119.03385	4.1
123.00908	0.7
125.02351	3.2
131.03401	6.4
135.04419	1.3
139.00302	2.0
143.03448	8.1
145.05009	1.1
151.03935	1.3
152.01039	1.2
157.01305	1.3
159.02953	1.2
161.04517	1.4
163.06046	1.7
165.05539	1.1
165.13118	0.6
205.07152	4.7
274.99509	0.8
791.25964	0.7
953.47742	100.0
954.47925	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	953.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01770	1.0
68.99704	3.0
69.03349	2.0
70.23154	0.2
71.01270	39.8
71.31268	0.4
72.01604	0.6
72.98788	0.2
72.99200	4.5
73.02835	9.9
75.00764	14.5
81.03355	0.6
83.01279	6.0
84.02068	0.5
85.02845	23.3
85.99985	2.6
86.03161	0.3
87.00228	0.5
87.00771	11.6
87.04414	3.1
89.02341	12.6
93.03358	0.2
95.01284	5.6
96.95891	0.5
97.02846	2.4
99.00780	16.4
99.04413	0.6
100.01067	0.2
101.02345	16.6
103.03912	3.7
108.02062	0.4
109.02863	0.3
111.00792	0.9
111.59769	0.2
112.01582	0.9
113.02359	16.6
114.02663	0.5
115.00266	0.6
115.03121	0.3
115.03918	3.9
119.03419	2.3
120.03742	0.2
121.02885	0.3
125.02361	2.1
127.03936	0.6
129.01820	0.4
129.59267	0.2
131.03430	7.5
132.03792	0.3
135.04469	0.3
137.02411	0.4
139.00304	0.7
143.03444	8.9
145.05011	1.6
149.04536	0.2
152.01045	0.3
157.01396	1.1
159.04457	0.2
161.02382	0.4
161.04497	2.4
163.06071	2.6
172.60374	0.2
205.07162	5.8
247.08232	0.5
269.04636	0.3
273.88400	0.2
405.31580	1.4
406.32129	0.2
421.27588	0.2
437.30710	0.9
439.32071	0.7
467.31784	2.3
468.32361	0.2
487.34131	0.4
507.35089	1.4
533.77637	0.2
537.35889	0.8
565.35486	0.3
591.94983	0.2
609.34827	0.3
627.35724	0.9
745.42499	0.2
891.48364	0.3
935.47015	1.6
936.46344	0.2
953.47699	100.0
954.47974	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01775	0.6
68.99702	2.4
69.03342	1.5
69.25420	3.5
71.01270	35.2
71.29881	0.4
72.99200	4.0
73.02837	9.6
75.00765	15.2
81.03356	0.8
83.01275	5.0
83.04914	18.2
84.05243	0.6
85.02843	22.8
85.99983	2.5
87.00772	10.9
87.04414	2.9
88.98700	1.1
89.02341	7.9
93.03377	0.7
95.01289	5.8
96.95907	1.3
97.02846	1.3
99.00780	16.7
99.04426	0.4
101.02345	13.7
101.03013	0.7
103.03908	1.7
108.02061	0.6
109.02873	1.4
111.00799	0.9
112.01560	0.6
113.02354	15.7
115.00279	0.5
115.03925	3.2
119.03440	2.3
119.04901	0.9
123.04491	0.5
125.02356	2.4
127.03942	0.5
129.01814	0.4
131.03427	5.8
135.04424	0.6
136.01537	0.5
137.02483	0.4
139.00301	0.8
143.03433	6.7
145.04984	0.8
147.04405	0.6
149.02361	0.5
149.06007	0.7
151.03969	0.6
152.01074	0.6
156.68414	0.3
157.01341	1.1
159.02931	0.4
161.02359	0.4
161.04495	1.2
163.03912	0.7
163.06079	2.1
163.07310	0.5
165.05521	0.6
177.01816	0.4
179.05560	0.5
179.06993	0.3
181.05063	0.4
191.06943	0.3
205.07115	3.3
229.03275	0.4
247.08269	0.6
269.04642	0.4
339.27240	0.6
351.08823	3.1
405.31866	1.9
421.15955	0.3
423.32904	2.5
439.19891	1.0
467.31839	0.4
493.36835	1.1
537.36053	0.5
581.12445	0.5
583.36652	0.5
627.34821	0.4
643.95416	0.4
653.10742	0.4
763.45691	0.3
893.25409	0.4
909.48828	5.6
910.49310	1.0
935.46863	2.0
936.46631	0.6
953.47778	100.0
954.48181	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	953.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.8
68.99709	1.9
69.03346	1.7
69.30334	1.8
71.01268	33.4
72.01628	0.2
72.99199	3.5
73.02837	10.7
75.00763	13.5
81.03370	0.6
83.01277	4.6
83.04900	0.2
84.02051	0.5
85.02840	21.1
85.99988	2.4
86.03175	0.3
87.00770	10.3
87.04408	3.5
88.01147	0.2
89.02335	7.4
93.03326	0.2
95.01283	4.7
96.95903	0.5
97.02860	1.4
97.06518	0.2
98.20525	0.3
99.00779	16.2
99.04423	0.6
101.02344	13.2
103.03909	2.4
108.02020	0.2
109.02843	0.3
111.00783	0.9
112.01575	0.8
113.02356	14.0
114.02710	0.4
115.00287	0.7
115.03922	3.1
119.03426	1.8
119.04875	0.2
122.81677	0.2
125.02375	1.1
127.04010	0.3
129.01868	0.5
131.02466	0.4
131.03421	6.0
132.03723	0.2
135.04459	0.2
137.02354	0.2
139.00345	0.8
143.02364	0.3
143.03441	6.1
145.04999	1.2
153.01875	0.2
157.01361	1.3
159.02907	0.4
161.04466	1.0
163.06062	1.9
165.05446	0.2
191.56157	0.2
205.07170	3.3
247.08292	0.5
389.28647	0.2
405.31683	1.4
437.30640	0.7
439.32278	0.4
467.31744	2.2
468.31754	0.3
507.35016	1.4
537.35999	0.9
565.35242	0.2
627.35205	0.4
712.07501	0.2
745.42816	0.2
861.92871	0.2
935.46600	1.7
953.47675	100.0
954.47992	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	951.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	2.2
69.03347	0.9
70.57989	1.7
71.01270	29.9
72.75951	0.6
72.99197	3.6
73.02834	6.4
75.00765	12.1
78.95847	0.5
80.49268	0.5
83.01281	3.7
85.02845	18.4
85.99984	2.2
87.00775	9.3
87.04406	2.3
89.02341	7.5
95.01275	4.9
96.95941	0.7
97.02857	1.1
98.41653	0.5
99.00783	10.6
100.01145	0.6
101.02349	12.3
102.02712	0.6
103.03939	3.0
111.00772	0.6
113.02358	10.7
115.03917	2.5
115.88377	0.6
119.03403	1.6
125.02374	1.1
131.03430	4.6
139.00331	0.5
143.03448	6.8
145.05029	1.0
157.01306	0.8
161.04506	1.3
163.06058	1.7
205.07127	4.3
247.08177	0.9
465.37430	3.7
535.41931	1.3
854.63336	0.6
861.41461	0.8
933.52698	1.8
951.53510	100.0
952.53699	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	949.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03544	0.5
68.98318	0.4
69.03328	0.5
71.00908	0.9
71.01273	13.5
71.58514	0.8
72.99179	1.4
73.02829	1.8
76.93906	0.5
81.03340	0.8
83.01290	1.3
85.02854	3.7
87.00777	3.2
89.02343	12.5
90.09168	0.4
95.01279	0.7
96.95914	0.7
97.02254	0.4
97.02843	2.1
99.00742	0.9
101.01701	0.7
101.02344	10.0
111.04417	0.5
113.02363	5.4
113.09611	1.1
119.03408	3.4
121.02782	0.6
125.02349	5.3
129.61247	0.5
133.04990	0.8
143.03436	1.7
144.36748	0.5
160.51794	0.5
161.04495	1.9
179.05554	2.3
179.14363	1.2
195.13882	13.2
209.11919	0.8
221.06699	1.5
235.08234	5.2
253.09322	1.1
255.23335	31.5
256.23608	2.4
277.21774	11.7
278.22137	1.1
287.07858	1.7
295.22849	100.0
296.23181	7.4
305.08795	2.9
391.29138	0.5
397.13596	62.7
398.13980	2.7
415.14670	17.4
416.15009	1.3
421.24963	0.5
653.37756	8.3
654.38092	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	951.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99665	0.2
70.71146	0.6
71.01270	1.7
71.12928	0.1
73.02851	0.3
79.01812	0.2
79.82098	0.2
81.03336	0.3
83.01279	0.7
84.02058	0.3
85.02842	1.3
87.00751	0.2
89.02348	0.4
93.03342	0.4
95.01281	0.4
96.95901	0.2
97.02863	0.2
99.00776	0.4
101.02337	0.8
101.15862	0.2
108.02087	0.4
109.02850	1.7
111.00784	0.5
113.02357	0.4
115.00299	0.2
119.04911	0.4
121.02853	0.6
123.00789	1.6
123.04430	0.3
124.01545	1.0
125.02361	1.9
131.04961	0.2
133.02878	0.5
134.03677	0.2
135.04454	0.4
136.01601	0.2
137.02382	9.0
138.03114	0.5
139.00310	0.9
139.03951	2.2
146.03665	0.2
147.04471	0.3
149.02399	1.3
149.06062	0.3
150.03168	0.6
151.00307	14.6
151.03911	2.1
152.01138	2.1
152.04709	1.6
153.01843	0.7
153.05507	0.7
154.02654	0.4
159.04465	0.6
160.01634	0.2
160.05257	0.4
161.02380	0.7
161.04514	0.4
162.03180	0.3
163.03993	1.0
164.04745	0.7
165.01875	1.0
165.05525	0.7
166.02667	64.2
167.03360	4.2
173.02386	0.5
174.03215	0.4
175.03955	2.2
175.07587	0.3
176.01054	0.2
176.04756	0.8
177.01898	2.8
177.05496	1.2
178.02548	0.2
179.03461	0.8
179.07120	0.6
180.04092	0.3
181.05025	90.3
182.05374	3.1
184.03757	1.1
187.03960	1.5
188.04753	0.5
189.05519	0.6
190.02696	0.6
190.06287	1.8
191.03467	2.7
191.07111	0.4
192.04254	0.9
193.05099	0.9
193.81332	0.2
195.02940	0.6
195.06673	0.2
202.06366	0.3
203.03461	0.7
203.07028	0.2
204.04196	0.6
205.05040	4.2
205.08652	1.6
206.05849	2.1
207.06612	1.6
209.04559	0.4
209.08154	0.2
217.05037	0.3
218.05775	0.3
219.06645	0.7
220.07399	2.9
221.08182	5.6
222.08525	0.4
223.06133	0.4
224.03441	0.3
225.07590	0.4
233.08200	0.6
235.06163	0.3
235.09756	0.7
245.06541	0.2
269.04562	0.5
271.06171	0.4
281.85550	0.2
283.09692	0.2
287.05710	0.4
293.04626	0.2
296.06931	0.3
297.04105	0.2
301.07199	0.4
309.04117	0.3
309.07596	0.3
311.05780	0.4
312.06485	0.7
313.07330	0.3
316.09430	0.3
317.19662	0.2
324.06500	0.5
325.07266	0.5
326.07819	0.4
327.08765	0.9
329.10382	0.6
337.06979	0.2
339.08942	1.4
341.10294	0.4
342.07410	0.5
344.08923	0.3
354.11191	0.7
356.12701	0.3
357.09802	1.1
357.13541	0.4
359.11432	2.0
369.13571	0.6
371.15128	0.5
372.08408	0.4
372.12271	4.7
373.08755	0.9
373.13306	0.4
374.09622	0.8
375.10101	0.3
384.12381	0.4
387.10788	11.1
387.14703	14.3
388.11105	0.7
388.15372	1.2
399.14273	0.9
401.11850	0.2
401.16440	0.3
402.13272	13.7
403.13635	1.3
417.15625	48.2
418.15967	4.1
431.17267	0.5
501.56461	0.2
579.34174	0.2
597.23633	5.2
598.23962	0.6
609.23737	1.0
627.24591	100.0
628.24896	13.1
789.30225	2.0
951.26831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
68.25446	0.3
69.03323	0.2
71.01271	3.5
72.99202	0.7
73.02853	1.4
75.00745	0.3
83.01276	4.3
85.02840	2.1
87.00797	0.5
89.02310	1.3
93.03354	0.3
95.01296	0.4
96.95910	0.8
99.00791	0.9
99.04433	0.2
101.02353	3.0
109.02843	0.4
111.00769	0.4
113.02360	1.6
116.92767	0.3
119.03437	0.4
119.04918	0.5
121.02898	0.4
123.04430	1.0
125.02355	0.8
135.04434	1.7
136.05232	0.7
137.06010	100.0
138.06351	3.3
141.01891	0.2
145.02946	0.2
145.53143	0.2
149.02368	0.3
149.06003	0.3
151.00287	0.6
151.03990	1.3
152.01041	0.4
152.04742	1.8
152.78406	0.2
161.04503	0.5
163.03906	0.6
163.07596	0.9
164.04713	3.8
165.05519	98.8
166.02699	0.3
166.05869	3.7
173.06015	0.7
178.06319	0.5
180.56798	0.2
187.07635	0.6
188.08450	0.4
191.07130	1.6
196.03755	0.9
230.05426	0.5
230.07854	0.3
245.06667	0.4
251.11371	0.4
335.13602	0.9
364.21619	0.2
394.10614	0.4
395.11386	0.4
409.12845	1.2
445.33206	1.1
447.34830	0.9
448.31934	0.4
463.34375	7.9
464.34332	0.6
607.38757	1.5
607.84930	0.3
610.37115	0.9
625.39673	76.1
626.29718	0.5
626.40021	9.3
642.39886	0.8
643.39551	0.8
769.43488	0.4
787.45001	93.5
788.45319	14.7
788.60327	0.4
804.44586	0.6
805.45221	1.0
911.50452	0.8
913.50653	0.4
949.50305	4.8
950.50378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01264	3.7
71.51361	0.2
72.99214	0.6
73.02831	1.4
75.00755	0.4
83.01286	3.8
85.02833	2.3
87.00771	0.7
88.98701	0.2
89.02345	1.0
93.03356	0.2
95.01286	0.6
96.95921	0.6
99.00790	0.8
99.04409	0.3
101.02340	2.8
109.02829	0.4
111.00793	0.6
113.02338	1.8
116.92754	0.2
119.03397	0.4
119.04939	0.5
121.02821	0.4
121.31737	0.2
123.00723	0.2
123.04452	0.6
125.02375	0.7
131.03377	0.3
134.03647	0.2
135.04436	1.6
136.05231	0.7
137.06012	100.0
138.06358	3.9
141.01813	0.4
143.03358	0.3
149.06067	0.3
150.03227	0.3
151.00253	0.4
151.03967	1.3
152.01045	0.3
152.04750	2.0
161.04449	0.5
163.03908	0.9
163.07576	0.8
164.04723	2.9
165.05522	98.8
166.02596	0.4
166.05836	3.9
173.06036	0.9
174.66507	0.2
177.05516	0.3
178.06294	0.4
181.05003	0.4
187.07634	0.6
188.08380	0.3
191.07149	1.4
196.03752	0.8
198.05351	0.5
211.13498	0.3
245.06705	0.5
245.75659	0.2
254.05548	0.3
306.50348	0.3
335.13318	1.1
394.10413	0.4
398.04315	0.3
409.13196	1.4
435.35352	0.2
445.33249	1.2
447.34775	0.9
448.32040	0.3
463.34393	7.0
464.34460	0.9
479.34125	0.3
523.65192	0.2
565.26428	0.3
571.18030	0.3
607.38855	1.1
610.37292	0.9
624.38879	0.3
625.39685	71.2
626.40057	10.3
641.38666	0.3
642.40137	0.3
643.39740	0.5
701.36072	0.3
767.76666	0.3
787.45007	92.9
788.45337	16.5
805.44934	1.0
847.46204	0.3
911.50464	1.1
912.51868	0.3
913.50940	0.7
926.18835	0.3
949.50635	3.3
950.49872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99711	0.4
69.03361	1.5
69.74610	1.5
71.01268	9.9
72.01595	0.2
72.99197	1.1
73.02831	2.8
74.68848	0.2
75.00764	2.5
79.01781	0.4
81.03355	1.3
83.01272	2.2
85.02840	7.9
86.00002	0.3
86.03204	0.3
87.00787	1.7
87.04414	0.5
88.98697	0.7
89.02356	1.6
93.02849	0.2
93.03343	1.8
95.01276	3.2
96.95913	1.3
97.02853	0.8
98.19830	0.5
99.00782	2.8
101.02350	3.5
103.03897	0.3
105.82755	0.2
107.01274	0.3
107.04910	0.5
108.02077	75.0
108.79482	0.2
109.02876	30.3
110.03202	0.3
111.00770	0.5
113.02354	3.7
115.03938	0.3
116.92729	0.3
117.03364	0.3
119.03465	0.4
119.04939	0.8
121.02874	3.0
122.03672	0.3
123.00811	2.0
123.04455	2.0
124.64822	0.3
125.02367	4.1
131.03400	1.0
132.02156	0.5
133.02885	3.7
135.00819	4.2
135.04459	2.0
136.01543	0.3
137.02342	1.0
137.06041	1.3
139.03954	0.4
143.03401	0.9
145.02870	0.5
149.02438	1.3
149.05992	1.2
150.03186	0.6
151.00311	1.1
151.03946	2.8
152.01093	83.1
153.01880	36.3
153.05499	1.2
154.02209	0.9
157.01334	0.3
159.03020	0.3
159.32509	0.3
160.01640	0.3
161.02350	0.8
161.04533	0.6
163.03932	4.8
164.04506	0.4
165.01904	3.2
165.05531	1.4
167.03455	0.6
175.03944	0.8
176.01091	1.6
177.01892	31.6
178.02234	1.2
178.06310	2.6
179.03487	0.4
181.04996	0.9
189.01892	0.6
191.03482	0.9
193.05057	0.3
193.08690	1.6
195.02994	0.9
195.06496	0.4
203.03769	0.3
205.05132	0.4
205.07100	0.6
207.02902	0.4
207.10271	0.3
219.02980	0.3
225.04018	0.8
246.08997	0.3
261.11450	0.3
262.48251	0.3
269.04575	1.1
271.06207	0.4
283.05981	0.3
285.04111	0.5
287.05713	0.3
297.06400	0.4
315.07285	100.0
316.07571	5.2
339.07263	50.2
340.07657	2.7
353.06598	0.4
354.07059	0.4
357.08310	0.9
383.06271	34.6
384.06561	1.9
401.07309	22.7
402.07916	1.5
455.34735	0.3
462.13150	0.3
463.33987	0.3
563.14136	0.7
564.14600	0.9
565.14703	0.7
642.39374	0.4
727.85608	0.4
911.50269	7.7
912.50726	7.2
913.51013	4.6
948.48969	0.4
949.30743	3.4
949.48553	1.3
950.30933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.48
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.5
68.99688	1.2
69.03336	0.8
71.01266	23.8
72.01608	0.4
72.99203	1.8
73.02836	7.2
75.00765	11.6
81.03333	0.5
83.01281	3.6
85.02843	17.2
85.99973	1.2
86.00429	0.2
87.00773	6.9
87.04405	2.2
89.02341	4.1
93.14927	0.2
94.35258	0.2
95.01283	2.6
96.95910	1.2
97.02850	0.6
99.00780	11.1
99.04407	0.4
100.01090	0.2
101.02338	3.8
103.03888	1.3
109.02845	0.5
111.00780	0.5
112.01583	0.4
113.02358	9.7
114.02690	0.3
115.00266	0.5
115.03934	2.3
119.03407	0.6
125.02346	1.2
129.01874	0.2
131.02470	0.4
131.03426	6.1
135.04424	0.7
137.02397	0.4
137.05882	0.3
139.00323	0.5
139.05978	0.2
143.03436	5.0
145.04994	0.7
147.04451	0.2
149.02333	0.4
149.04477	0.3
149.06013	0.9
150.03152	0.3
151.00298	0.5
152.01158	0.2
153.01849	0.3
157.01340	0.8
161.02402	0.4
161.04491	0.3
163.03926	0.5
163.06090	1.3
165.01875	0.3
165.05568	0.4
177.01936	0.4
191.03346	0.4
193.08656	0.3
199.03938	0.2
205.07143	3.0
227.03522	0.2
241.04878	0.3
259.09244	0.2
269.04590	0.3
271.02728	0.5
271.06076	0.2
287.22385	0.8
288.20322	0.2
297.07828	0.6
299.05518	0.3
353.06631	0.4
383.07611	0.4
385.42462	0.3
455.10062	0.3
455.35602	2.1
456.35995	0.4
457.37115	1.6
461.12262	1.8
462.12735	0.5
525.39362	1.8
563.14148	1.4
564.14355	0.5
571.40149	2.1
572.40741	0.4
615.39496	0.5
641.39746	0.3
741.31055	0.3
893.48639	0.5
911.50281	100.0
912.50641	20.8
912.70007	0.4
947.30127	0.8
947.50500	0.6
948.48816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35593	3.6
71.01276	5.3
72.99194	0.5
73.02838	1.0
73.11562	0.3
75.00768	0.4
83.01286	3.5
85.02854	2.9
87.00759	1.1
89.02358	0.7
91.01793	1.8
93.03362	2.6
95.01297	1.2
96.95910	1.6
97.02853	0.9
99.00797	0.8
101.02361	2.9
107.01300	2.7
107.04930	0.8
108.02079	1.8
109.02876	2.4
111.00787	0.8
113.02341	2.8
115.82585	0.4
116.92780	1.0
117.03406	0.8
119.01289	5.3
119.04942	6.2
121.02874	4.8
121.87702	0.4
123.00803	1.7
123.04456	1.0
124.01546	0.8
125.02359	4.4
131.05074	0.4
132.02126	0.4
133.02847	0.7
134.03647	1.5
135.04482	3.6
137.02388	6.6
138.03203	0.8
139.00346	0.8
139.03958	0.8
143.03362	0.4
143.04962	1.8
145.02876	1.9
147.00804	4.7
147.04460	1.4
148.01653	0.4
149.02383	21.6
149.06021	0.4
150.03210	1.8
151.00305	25.7
151.03877	1.7
152.01100	5.7
152.04694	0.7
153.01868	1.5
153.05545	0.6
159.04485	0.7
161.02367	2.0
161.04466	0.8
162.03157	1.5
163.03952	4.8
164.04738	20.5
165.01862	4.6
165.05396	1.1
166.02669	48.4
167.03394	4.2
169.05049	0.5
173.02374	0.8
173.06023	0.4
175.00327	40.7
175.03932	1.6
175.07576	0.5
176.01006	3.5
176.04660	0.5
177.01909	4.6
177.05521	0.8
178.02609	0.7
179.03387	1.0
179.07082	4.5
181.05026	50.5
182.05377	2.1
184.03700	0.7
185.06013	1.3
187.04007	0.5
188.04671	0.5
189.01910	1.6
189.05440	0.5
190.02686	100.0
191.03276	6.5
191.06953	0.5
192.04219	1.7
193.01436	2.4
193.03004	0.4
193.05074	1.1
194.02052	0.7
195.02913	0.7
203.03394	0.8
204.04216	0.5
205.05045	99.4
206.05467	5.2
207.03000	1.7
207.06528	1.9
208.03751	3.1
209.04485	2.2
217.01451	1.3
217.05060	0.7
219.06552	0.8
220.07477	0.4
221.04495	0.9
221.08199	1.3
223.06116	19.8
224.06459	0.6
227.07149	1.8
232.03763	1.5
235.06146	0.7
247.06181	1.4
253.05141	0.6
265.07217	1.1
269.04596	1.0
271.06195	6.0
272.06335	0.5
281.18832	0.4
285.07639	0.6
286.07947	0.4
291.01642	0.4
299.05685	0.6
311.13177	0.5
313.07248	0.5
321.37363	0.3
327.08896	1.1
337.05811	2.7
339.08603	0.6
341.10498	0.5
352.08121	5.9
353.08667	1.0
359.11517	1.5
367.10413	77.7
368.10745	5.2
372.12152	1.1
373.08856	0.6
387.10739	8.3
387.14700	0.9
388.11420	2.5
402.13297	6.3
403.14084	10.0
404.14444	0.7
417.15643	22.4
418.16040	1.7
455.10052	0.9
547.19043	0.4
565.19427	1.1
579.17352	3.2
606.66504	0.4
639.60974	0.4
785.26788	59.1
786.27185	7.9
947.31213	17.7
948.31189	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	943.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	3.0
71.00907	1.6
71.01273	29.7
71.52387	2.1
72.99198	2.4
73.02831	5.1
73.34380	0.9
74.36880	1.0
78.42350	1.1
81.03352	3.3
83.01285	3.6
83.04903	2.6
85.02835	6.0
87.00771	6.5
89.02344	19.2
93.03375	1.5
94.42084	1.2
95.01286	3.0
95.04961	1.2
97.02862	12.8
97.06486	1.4
99.00770	3.1
101.02343	20.0
109.06503	34.0
110.03676	1.3
110.68866	1.1
113.01629	1.6
113.02350	12.9
115.03992	1.1
119.03401	5.6
121.06506	1.7
125.02341	7.1
133.89407	1.0
135.08081	4.4
136.05206	2.3
141.01828	1.8
142.02628	4.0
143.03386	2.9
151.07544	1.0
161.04500	3.7
161.09610	2.4
163.11227	17.9
175.03839	1.0
179.05585	5.3
179.10617	1.1
181.12303	2.8
189.09190	2.3
199.04059	1.6
207.10246	100.0
208.10559	3.3
209.11768	2.5
221.06732	1.9
223.03981	3.5
224.53897	1.0
225.11330	34.8
226.11661	1.8
235.08238	5.7
240.04301	1.2
243.12418	2.0
253.09346	1.2
275.20636	1.2
277.21780	74.9
278.22153	4.9
284.03247	3.8
285.04120	4.5
287.07785	2.6
305.08878	2.0
313.92813	1.3
323.09808	2.4
379.12488	8.7
397.13580	55.7
398.08844	1.2
398.13925	2.8
415.14697	12.9
519.19763	1.4
549.16205	2.3
587.23334	2.4
592.84070	1.2
593.15051	9.5
605.24445	7.0
623.25940	4.4
675.35895	3.5
865.45673	3.3
883.47198	71.5
884.47424	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	943.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.7
71.01272	23.2
72.58276	0.9
72.99200	1.5
73.02833	3.9
81.03337	3.6
83.01283	2.5
83.04902	2.9
85.02825	5.8
87.00768	6.3
89.01829	1.3
89.02342	15.3
95.01263	2.5
97.02859	11.0
99.00761	3.6
101.02341	14.1
107.04932	1.0
109.02865	1.1
109.06502	32.9
110.03593	1.2
111.00859	1.2
113.02360	10.7
119.03415	4.0
121.06481	2.6
123.04433	1.0
125.02367	7.4
131.03421	1.2
135.04413	1.7
135.08083	2.9
136.05249	1.6
141.01845	2.0
142.02634	3.0
143.03412	3.8
145.10207	1.0
151.00296	2.2
155.04861	1.0
161.04485	4.7
161.09642	3.2
163.11232	19.4
167.04901	0.8
179.05568	5.3
179.10808	1.1
181.12381	5.6
189.09142	2.0
199.03963	6.9
207.10251	100.0
208.10628	4.8
209.11827	2.6
221.06584	3.7
223.03960	2.8
225.11324	45.7
226.11700	2.1
235.08258	4.3
240.04335	1.6
241.05080	1.6
243.12413	2.5
277.21799	57.0
278.22040	5.1
281.13986	1.1
284.03339	3.2
285.04166	5.8
286.04724	1.1
287.07800	1.6
299.14951	1.7
305.08801	2.4
307.11612	1.1
323.09979	1.3
379.12546	8.9
380.13110	1.1
397.13602	44.5
398.13745	2.9
415.14685	12.5
441.33942	1.2
587.23602	3.3
593.15033	1.5
605.24487	11.8
606.25201	1.4
623.25543	7.9
628.61896	0.9
675.35803	2.4
865.46063	3.3
883.47162	66.5
884.47595	11.4
943.43561	8.9
944.43048	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	941.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99339	0.4
68.99696	1.7
69.03338	1.5
71.01270	35.4
71.56439	0.5
72.99191	4.4
73.02838	10.2
75.00763	13.2
83.01280	4.9
85.02843	21.5
85.99982	1.8
86.03166	0.6
87.00775	10.1
87.04404	2.5
88.98663	1.1
89.02334	7.5
93.03362	1.0
94.98000	0.5
95.01280	4.9
96.95909	3.6
97.02850	1.4
97.90917	0.4
99.00777	15.7
99.04446	0.8
101.02345	13.5
102.02696	0.4
103.03909	2.0
108.02076	1.4
109.02895	0.8
111.00778	0.9
112.01589	0.9
113.02356	14.7
114.02687	0.5
115.00290	0.8
115.03930	2.8
116.92749	0.8
119.03401	2.0
119.04921	1.4
120.08058	0.4
121.02852	0.8
123.00834	0.4
123.04463	0.6
124.01434	0.4
125.02361	6.3
126.02705	0.5
129.01840	0.6
131.03421	5.5
133.02878	0.8
135.04443	1.3
137.02354	1.0
139.00339	0.9
142.03157	0.5
143.03435	6.0
145.02873	0.6
145.05003	1.1
149.02399	1.0
149.06004	0.5
150.03120	0.6
151.00325	1.0
151.03943	1.1
152.01048	1.2
153.01889	0.7
157.01341	0.9
159.02969	0.7
160.04077	0.4
161.02386	1.8
161.04512	1.5
161.05833	0.4
163.03983	0.7
163.06166	2.0
164.04716	1.2
165.05453	0.8
167.03447	0.7
175.02458	0.7
175.03885	0.5
179.03401	0.4
181.04929	0.4
189.04001	0.4
193.05103	0.5
194.63779	0.4
195.06522	0.8
205.05180	0.8
205.07156	3.2
223.61414	0.4
269.04596	1.0
285.04028	0.8
287.05731	1.4
327.08694	0.4
343.08121	1.1
425.34143	0.6
455.35294	2.5
525.39655	1.7
584.04584	0.5
597.37372	0.5
733.44714	0.5
779.25464	1.1
851.28015	1.3
923.50214	1.3
941.51318	100.0
942.51471	22.3
955.49481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01791	0.5
68.99706	2.3
69.03336	1.2
69.34135	3.2
71.01270	36.2
72.01602	0.4
72.99194	4.9
73.02834	8.3
73.65262	0.4
75.00765	12.6
81.03341	0.8
83.01278	5.9
83.04952	0.3
84.02030	0.4
85.02842	20.6
85.99982	2.1
87.00769	9.8
87.04413	3.2
88.98731	0.6
89.02338	8.5
93.03355	0.4
95.01287	5.1
96.95939	2.4
97.02848	1.6
98.19830	0.7
99.00777	12.7
99.04421	0.6
101.01701	0.7
101.02348	13.6
103.03909	3.0
107.04858	0.4
108.02083	0.6
109.02852	0.7
111.00787	0.9
112.01580	0.9
113.02361	14.4
115.00251	0.7
115.03931	2.9
116.92800	0.6
117.61251	0.3
119.03403	2.0
119.04913	1.4
121.02835	1.1
125.02386	1.8
127.03938	0.5
129.01866	0.4
131.03436	5.2
134.03748	0.4
135.04446	0.9
136.01587	0.5
137.02335	0.6
139.00334	0.8
143.03435	6.9
145.02856	0.9
145.04979	1.1
145.98119	0.4
147.04381	0.4
149.02373	2.3
150.03172	0.9
151.00313	0.5
151.03973	0.6
152.01164	0.9
153.01849	0.4
157.01332	1.2
160.04034	0.5
161.04459	1.7
163.03993	0.5
163.06108	2.1
164.04733	2.0
165.01886	0.4
165.05463	0.8
166.02602	0.5
166.05020	1.2
167.03429	0.5
175.02321	0.3
178.06238	0.5
179.07057	0.8
180.04309	0.4
181.04993	0.7
187.70035	0.3
191.03191	0.4
195.06595	0.6
205.07167	4.7
208.03836	0.7
223.06123	3.0
271.06192	0.5
422.13132	0.4
425.34351	0.7
455.35504	2.6
524.20764	0.4
525.39893	1.9
569.38983	0.4
615.38995	0.4
923.50317	1.5
941.51318	100.0
942.51617	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49714	0.3
67.01743	0.5
68.99700	1.7
69.02290	0.3
69.03332	1.6
71.01269	31.3
71.14010	0.8
72.99184	3.4
73.02832	10.7
75.00762	14.8
81.03343	0.5
82.33244	0.4
83.01282	4.7
85.02843	20.9
85.99983	2.3
86.03123	0.4
87.00768	9.9
87.04403	3.1
88.98717	0.4
89.02344	7.6
93.03349	0.4
95.01283	5.5
96.95901	1.0
97.02833	1.4
97.82687	0.4
99.00775	13.2
99.04408	1.1
101.02347	14.3
101.05990	0.7
103.03892	1.9
108.02078	0.5
109.02853	1.1
111.00807	0.7
112.01587	0.6
113.02357	15.1
115.00315	0.6
115.03342	0.3
115.03930	3.8
118.97779	0.4
119.03433	2.0
119.04861	0.4
121.02846	0.7
125.02359	3.3
129.01839	0.5
131.03426	5.7
135.04434	0.8
137.02412	0.7
139.00327	0.9
143.03439	6.5
145.05002	1.0
149.02318	0.6
151.00325	0.5
152.01094	0.5
157.01343	0.9
159.02916	0.6
161.02390	0.4
161.04501	1.4
163.06102	1.9
165.05476	0.5
175.03888	0.4
176.01468	0.3
177.01877	0.4
181.98164	0.4
201.27383	0.3
205.05376	0.5
205.07158	3.2
253.05112	0.4
284.03082	0.4
285.04117	0.4
287.05695	0.7
293.04474	0.5
327.21878	1.4
327.60321	0.4
455.35400	4.2
525.39642	2.4
526.40057	0.5
806.26611	0.4
923.49762	1.3
941.51337	100.0
942.51630	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.6
68.99702	2.7
69.03344	1.7
71.01267	41.1
71.04898	0.3
72.01602	0.7
72.99188	4.0
73.02834	12.2
75.00761	15.7
81.03342	0.6
83.01277	6.1
85.02839	25.4
85.99982	2.3
86.03166	0.8
87.00766	12.6
87.04405	3.9
89.02334	10.3
95.01278	5.7
97.02847	1.2
98.19668	0.5
99.00774	17.8
99.04427	0.7
100.01119	0.7
101.02340	16.3
103.03912	3.8
109.02885	0.4
111.00799	0.7
112.01555	0.7
113.02351	16.2
114.02682	0.5
115.00284	0.8
115.03919	4.9
119.03410	2.4
125.02358	1.2
127.03928	0.5
129.01900	0.4
131.03423	8.8
132.03754	0.3
139.00273	0.7
143.03430	9.3
144.03787	0.3
145.04994	1.6
157.01387	1.7
161.04504	2.2
163.06088	2.5
171.32268	0.2
202.39073	0.2
202.80452	0.2
205.07152	5.9
206.07475	0.5
230.30193	0.2
233.06842	0.3
247.08047	0.4
388.19150	0.3
439.32071	0.4
455.35388	4.6
456.35690	0.6
457.37070	1.0
458.37399	0.2
467.92993	0.2
485.32761	0.3
519.86786	0.3
525.39722	2.9
526.40106	0.7
554.35632	0.3
555.36169	0.5
568.34064	0.4
601.36462	0.3
615.39203	0.7
643.35272	0.5
644.35437	0.5
645.35297	0.3
733.41852	0.5
923.49738	1.5
939.46155	3.3
940.46417	5.3
941.51196	100.0
942.51453	28.0
943.51361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.6
68.99703	2.1
69.03341	1.6
71.01269	37.0
71.15274	0.3
71.15619	0.5
72.01601	0.3
72.99191	3.2
73.02835	12.2
75.00761	15.5
81.03361	0.5
83.00832	0.2
83.01273	5.4
85.02841	22.9
85.99983	2.0
86.03137	0.3
87.00771	11.3
87.04403	4.0
89.02335	7.6
95.01278	5.9
96.95892	0.3
97.02858	1.3
99.00778	17.2
99.04404	0.3
100.01078	0.3
101.02345	14.9
103.03919	2.2
109.02863	0.4
111.00791	0.7
112.01605	0.6
113.02355	16.8
114.02728	0.4
115.00280	0.7
115.03919	5.7
119.03426	2.3
125.02356	1.3
126.33827	0.2
127.03923	0.3
129.01797	0.2
131.03427	6.9
132.03732	0.2
139.00308	0.5
143.03430	7.3
145.04955	1.4
157.01358	1.0
159.02908	0.6
161.04504	0.9
163.06088	2.1
195.91261	0.2
205.07176	4.2
239.18794	0.3
373.46704	0.2
389.28265	0.2
439.32266	0.3
440.32190	0.2
455.29416	0.3
455.35400	4.6
456.35757	0.5
457.36996	1.6
458.36786	0.3
525.39777	3.0
526.39813	0.4
569.38483	0.3
571.40039	0.6
615.39423	0.4
797.01831	0.2
828.40125	0.3
843.54138	0.3
923.50195	1.4
941.51324	100.0
942.51569	22.0
955.90259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.5
68.99709	2.5
69.03336	1.4
71.01270	32.2
71.04926	0.3
72.01605	0.5
72.99199	4.2
73.02837	8.9
75.00761	11.0
76.89320	0.3
81.03342	0.4
83.01272	4.0
85.02842	18.6
85.81593	0.3
86.00026	1.5
87.00768	9.4
87.04417	2.3
88.98689	0.5
89.02339	8.3
93.03337	0.4
95.01285	4.3
96.95899	1.1
97.02846	1.2
97.98750	0.3
98.19759	0.6
99.00780	11.4
99.04414	1.0
101.02348	15.1
102.02652	0.5
103.03920	2.8
108.02040	0.4
109.02841	0.7
111.00748	0.8
112.01495	0.4
113.02355	13.1
115.00309	0.8
115.03925	2.9
116.92752	0.5
119.03426	2.3
119.04899	0.7
121.02837	0.3
125.02357	1.3
127.03934	0.6
127.54812	0.3
131.02473	0.4
131.03426	5.7
133.02786	0.4
135.04449	0.5
136.01605	0.5
137.02371	0.7
139.00317	0.8
143.03444	6.8
145.02895	0.4
145.04996	1.3
150.03183	0.4
151.00352	0.5
151.03896	0.4
152.01027	0.9
153.01830	0.4
157.01350	1.1
161.04523	1.9
163.06111	1.8
165.05515	0.8
177.01726	0.3
179.07065	0.4
181.04935	0.5
183.09604	0.3
194.78728	0.3
205.05162	0.6
205.07141	4.3
229.48589	0.4
269.04767	0.3
283.06259	0.6
284.03210	0.6
299.05713	1.0
327.22076	0.4
417.15698	0.3
453.33456	0.4
455.35486	3.6
456.35657	0.7
482.61832	0.3
525.39783	2.0
526.40344	0.5
593.96375	0.3
615.39014	0.4
907.49432	0.4
923.50391	1.9
924.47308	0.5
941.51373	100.0
942.51703	24.5
942.79565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01773	0.5
68.99712	1.5
69.03345	1.4
70.17290	0.9
71.01270	30.8
71.04920	0.2
72.01611	0.4
72.99197	3.3
73.02838	8.7
75.00764	13.8
77.48531	0.2
81.03349	0.4
83.01275	3.8
84.02065	0.3
85.02843	25.1
85.99977	2.3
86.03180	0.4
87.00774	10.4
87.04412	3.0
89.02338	6.3
93.03362	0.7
95.01284	6.0
96.95930	0.7
97.02839	1.1
99.00780	14.6
99.04427	0.6
101.02349	12.6
103.03909	2.0
108.02093	0.2
109.02866	0.5
111.00815	0.8
112.01578	1.0
113.02354	16.6
114.02705	0.5
115.00296	0.6
115.03928	3.3
119.03410	1.9
121.02869	0.3
123.04420	0.3
125.02364	1.5
127.03934	0.4
129.01851	0.3
129.36284	0.2
131.03424	6.8
133.02834	0.2
134.03668	0.2
135.04474	0.7
137.02419	0.5
139.00294	1.3
140.07089	1.2
143.03430	6.3
145.03099	0.2
145.05020	1.3
149.02377	0.3
151.00275	0.3
151.03909	0.2
157.01389	1.5
159.02913	0.6
161.02443	0.4
161.04529	1.3
163.04019	0.2
163.06075	1.7
165.40771	0.3
175.04008	0.3
189.03944	0.2
195.06732	0.2
204.96861	0.2
205.07143	3.4
260.55460	0.2
271.06076	0.2
294.08127	0.2
311.28595	0.2
317.69196	0.2
323.12939	0.8
348.27371	0.3
391.30222	0.5
395.11978	0.3
407.33633	0.3
409.13135	0.7
411.14777	0.3
425.34421	0.4
437.34531	0.7
455.18805	0.2
457.36932	0.8
877.49518	0.3
901.96411	0.3
923.48975	1.0
924.50812	0.2
941.51367	100.0
942.51630	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	939.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99706	1.3
69.03333	1.0
71.01270	25.9
71.51460	0.7
72.99189	2.6
73.02837	8.5
75.00368	1.1
75.00764	11.7
82.42672	0.6
83.01293	3.4
85.02840	14.2
85.99990	1.0
87.00771	8.1
87.04379	3.1
89.02340	4.8
95.01274	3.5
96.95910	1.3
97.02857	1.3
99.00778	12.1
101.02345	9.3
103.03910	1.0
113.02356	10.3
114.10333	0.6
115.00268	0.7
115.03920	2.2
119.03386	1.1
125.02396	1.2
131.03427	5.8
139.00291	0.9
143.03439	5.4
145.05022	1.0
157.01360	0.8
163.06006	1.1
205.07118	2.8
368.44733	0.6
397.55661	0.5
437.34366	0.9
453.34012	3.4
455.35498	5.1
456.36124	0.6
497.36740	1.2
523.38165	6.4
524.38251	1.1
569.38495	7.5
570.39038	1.7
587.39526	1.7
613.37689	2.7
921.49481	1.4
939.49811	100.0
940.31207	1.2
940.50006	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.498
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.5
68.99710	1.7
69.03356	1.4
69.73376	0.2
71.01269	28.6
71.09775	0.3
71.10114	0.4
72.01593	0.3
72.99200	3.0
73.02831	9.2
75.00761	11.4
81.03361	0.4
83.01274	3.5
85.02843	18.7
85.99995	1.8
87.00769	8.3
87.04405	2.9
89.02338	5.3
90.02649	0.3
95.01279	4.9
97.02831	1.0
99.00778	13.3
99.04395	0.7
101.02343	11.2
101.99500	0.2
102.02650	0.2
103.03908	2.1
109.02903	0.3
111.00763	0.8
112.01582	0.6
113.02358	11.4
115.00294	0.5
115.03922	3.3
119.03433	1.4
122.55350	0.3
125.02363	0.9
131.03419	5.0
139.00314	0.6
143.03426	5.5
145.04980	1.1
157.01358	1.1
159.02940	0.3
161.04503	1.2
163.06049	1.3
165.55887	0.2
205.07176	3.2
214.95341	0.2
247.08217	0.5
348.25601	0.3
391.30005	0.4
408.27866	0.2
425.34787	0.3
453.33826	3.5
523.38019	2.6
524.38593	0.3
567.36646	0.3
595.35944	0.4
613.38110	0.6
896.09912	0.3
921.48621	1.7
922.49744	0.3
939.49780	100.0
940.50073	23.3
949.27625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4985
Annotation	Cephalostatin 14
Peak:m/z	Relative Intensity
65.00230	0.5
67.01784	0.5
68.99697	1.9
69.03334	1.8
69.52695	1.8
69.53104	1.0
71.01271	32.8
71.04861	0.5
71.53999	0.4
72.01572	0.7
72.99193	4.6
73.02838	8.3
75.00761	11.7
81.03347	0.6
83.01275	5.4
85.02841	19.9
85.99977	1.9
87.00771	10.4
87.04415	2.7
89.02341	8.0
93.03374	0.9
95.01283	5.1
96.95910	1.9
97.02841	1.2
99.00170	0.9
99.00779	13.4
101.02349	12.3
103.03909	2.2
108.02075	1.6
109.02873	0.9
111.00790	0.6
112.01584	0.6
113.02353	13.5
115.00294	0.7
115.03944	2.5
116.92699	0.6
119.03431	2.0
119.04937	0.9
121.02876	0.8
123.04445	0.5
125.02368	3.0
125.09667	0.6
127.03906	0.7
131.03429	6.7
135.04436	0.8
137.02341	1.6
137.05951	0.6
137.08327	0.5
139.00232	0.7
143.03432	5.6
145.04967	0.6
149.02391	0.7
151.00299	0.9
152.01065	0.9
153.01884	0.6
157.01367	0.9
159.02901	0.7
161.04482	2.0
163.03917	0.7
163.06085	2.4
165.01839	0.5
181.04961	0.7
205.05194	0.7
205.07121	4.2
219.36217	0.5
236.02492	0.5
271.06226	0.9
287.05621	0.5
299.48120	0.5
321.93298	0.5
395.11795	0.6
453.33807	3.7
454.34714	0.5
455.35760	0.8
458.56296	0.5
523.37885	2.4
613.37866	0.9
738.02649	0.5
762.57800	0.5
921.48785	2.0
939.49811	100.0
940.50183	22.1
962.36487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4983
Annotation	Cephalostatin 14
Peak:m/z	Relative Intensity
67.01777	0.6
68.99700	2.2
69.03351	1.2
70.92371	0.4
71.01270	33.6
72.01585	0.4
72.99198	3.9
73.02837	9.1
73.66484	0.2
75.00762	12.5
81.03354	0.5
83.01282	4.9
84.02081	0.3
85.02843	19.3
85.99999	1.7
86.03172	0.4
87.00769	9.9
87.04408	2.9
89.02338	8.6
90.02750	0.2
95.01283	5.4
96.95884	0.3
97.02845	1.1
97.06476	0.2
99.00780	13.3
99.04430	0.6
101.02347	14.0
102.02715	0.4
103.03916	3.2
109.02867	0.4
111.00776	0.8
112.01569	0.5
113.02357	13.2
114.02699	0.3
115.00290	0.4
115.03925	4.0
119.03429	1.8
121.02856	0.2
125.02361	1.1
127.03917	0.6
129.01813	0.3
131.03423	6.3
137.02356	0.3
139.00299	0.7
143.03433	7.6
145.05005	1.2
157.01350	1.3
161.04498	1.6
163.06079	2.4
190.02705	0.3
205.05269	0.3
205.07138	4.8
223.06111	0.2
234.66794	0.2
247.08316	0.3
313.32785	0.2
391.29932	0.2
409.31198	0.2
437.30682	0.2
453.33841	4.1
454.34125	0.6
455.35483	0.4
512.83130	0.2
523.38086	2.8
524.38397	0.3
551.37012	0.2
567.36652	0.3
595.36505	0.3
613.37439	0.8
775.19812	0.2
777.24640	0.2
877.23566	0.2
921.48083	1.5
939.49780	100.0
940.50061	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4986
Annotation	Cephalostatin 14
Peak:m/z	Relative Intensity
66.16266	0.8
68.99701	1.7
69.03345	1.5
71.01269	24.1
71.51221	1.6
71.51605	0.9
72.99188	3.4
73.02832	5.6
74.04523	0.8
75.00770	8.0
83.01259	4.9
85.02845	13.3
85.99969	1.5
87.00769	6.2
87.04388	1.7
89.02316	5.8
91.67740	0.9
92.74976	0.8
95.01260	3.1
96.95899	1.9
99.00774	10.7
101.02351	9.3
103.03896	2.7
113.02351	10.1
115.03912	2.9
119.03408	1.9
125.02380	1.6
130.21074	0.7
131.03444	5.1
143.03427	4.1
163.06067	2.0
205.07117	3.2
239.27899	0.8
302.95413	0.8
399.99478	0.8
424.66006	0.9
453.33594	4.0
455.35391	2.4
523.37915	4.7
524.38367	1.2
551.37048	1.3
569.38525	2.7
613.37714	3.3
732.11920	1.0
939.49823	100.0
940.50275	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	0.5
68.75828	0.1
68.99706	1.6
69.03342	1.3
71.01269	27.7
72.01606	0.4
72.99193	2.6
73.02836	7.2
74.03152	0.2
75.00762	8.2
81.03352	0.3
83.01268	2.7
84.02074	0.2
85.02841	18.8
85.99982	2.3
86.03174	0.4
87.00771	9.6
87.04414	3.4
88.01110	0.2
88.98689	0.2
89.02336	2.4
90.02676	0.2
91.65007	0.2
91.80936	0.2
93.03358	0.4
95.01280	3.0
96.95916	1.3
97.02843	0.8
97.03395	0.2
98.20564	0.3
99.00777	22.8
99.04413	0.4
100.01107	0.3
101.02348	3.1
103.03905	1.1
107.01294	0.2
107.99634	0.2
108.02086	0.8
109.02852	0.7
111.00785	0.6
112.01594	1.0
113.02357	10.0
114.02686	0.3
115.00288	0.7
115.03912	2.8
116.92697	0.2
119.03423	0.5
119.04901	0.3
121.02887	0.3
123.00822	0.2
125.02354	1.4
126.02710	0.3
127.03929	0.4
129.01808	0.3
131.02461	0.3
131.03427	6.4
134.03601	0.2
135.04425	0.6
136.01555	0.5
137.02380	0.9
139.00291	0.7
143.03433	4.9
145.04991	0.8
149.02325	0.3
149.06053	0.2
150.03105	0.2
151.00320	0.4
151.03979	0.8
152.01138	0.8
153.01868	0.3
157.01332	1.3
160.03990	0.6
161.02365	0.3
161.04462	0.4
163.03937	1.3
163.05998	0.8
164.04364	0.3
165.01825	0.2
175.03897	0.3
177.01877	0.3
178.06316	0.4
179.03468	0.3
179.05441	0.2
179.06929	0.2
189.03986	0.2
190.02766	0.2
193.08682	0.4
195.06482	0.2
204.90163	0.2
205.05162	0.3
205.07130	2.1
209.08229	0.9
210.08571	0.2
233.15475	1.3
253.05017	0.2
269.04538	0.4
277.14444	1.2
284.03354	0.4
285.03851	0.2
287.05664	0.3
299.05637	0.7
300.06015	0.2
317.10477	0.2
327.12561	0.2
357.13370	0.4
397.13138	0.2
398.98190	0.2
409.31198	0.3
423.32809	1.0
424.33179	0.2
437.30652	0.3
439.32404	0.7
441.33856	1.8
453.30139	0.7
467.31445	1.1
469.22672	0.6
469.72952	0.3
483.31372	1.4
483.36026	0.2
485.32840	6.3
486.32944	0.9
509.36502	0.4
511.34363	0.2
513.31976	0.3
520.55261	0.2
523.34369	0.3
527.34027	1.7
539.33893	0.3
553.35455	4.3
554.35699	0.6
555.36597	1.1
567.23163	0.4
567.33319	3.8
568.33759	0.6
581.22101	0.5
581.34869	0.5
582.22528	0.5
583.23114	0.5
597.34308	0.3
599.36066	3.6
600.36194	0.6
615.38818	0.2
617.27954	0.2
617.37067	0.8
625.34399	0.2
643.34961	8.3
644.35175	1.4
659.38135	1.0
660.38464	0.2
687.41711	0.3
713.39056	0.8
714.39056	0.3
731.40259	3.8
732.40619	0.6
749.41412	0.5
777.31519	0.3
805.43408	0.3
877.46075	1.0
878.45734	0.3
921.45392	1.5
922.45947	0.2
939.46167	100.0
940.46448	23.4
941.48767	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	937.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01782	0.5
68.99709	2.8
69.03333	1.5
69.37462	1.5
71.01269	35.6
72.01593	0.4
72.02030	0.2
72.99198	3.5
73.02832	9.6
75.00763	13.3
78.43101	0.2
81.03354	0.5
83.01274	5.2
83.04915	0.2
84.02066	0.3
85.02842	19.9
85.99987	1.8
86.03143	0.2
87.00771	10.1
87.04411	3.2
88.01162	0.2
89.02338	8.1
95.01282	5.8
97.02863	1.2
98.19798	0.2
99.00779	15.2
99.04424	0.6
100.01093	0.2
101.02344	14.1
102.02673	0.2
103.03906	2.7
106.68516	0.2
109.02880	0.3
111.00792	1.0
112.01559	0.7
113.02356	13.9
114.02708	0.3
115.00290	0.6
115.03928	4.5
116.92755	0.3
119.03425	2.2
124.05220	0.2
125.02338	0.9
127.03918	0.4
129.01865	0.3
130.50201	0.2
131.03423	6.4
139.00282	0.7
143.03433	7.1
145.04990	1.2
157.01385	1.2
161.04486	1.9
163.06065	2.6
195.04791	0.2
205.07152	4.6
211.83722	0.2
213.46016	0.2
233.06671	0.2
247.08275	0.3
279.97034	0.2
333.99869	0.2
392.30368	0.2
435.29416	0.8
451.25861	0.3
451.32242	5.2
452.32379	0.6
453.33701	0.3
497.32068	0.2
521.36591	2.8
522.36835	0.5
549.35870	0.2
565.35510	0.3
593.34009	0.2
611.36200	0.7
623.77692	0.2
789.72363	0.2
875.48358	0.3
919.47211	1.9
920.47882	0.4
937.48212	100.0
938.48517	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.483
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.7
68.99702	1.9
69.03342	1.8
71.01266	32.9
72.01604	0.3
72.99194	2.9
73.02832	9.9
75.00759	11.7
79.07775	0.2
81.03333	0.3
83.01273	4.6
84.02044	0.3
85.02840	19.1
85.99989	1.7
86.03183	0.3
87.00769	8.9
87.04406	3.3
89.02336	5.5
95.01284	4.9
97.02853	1.2
98.20665	0.4
99.00778	13.6
99.04407	0.4
100.01121	0.3
101.02343	10.8
102.02650	0.3
103.03915	2.0
111.00793	0.8
111.25806	0.2
112.01596	0.7
113.02355	13.6
115.00277	0.6
115.03928	4.1
119.03416	1.5
125.02352	1.1
127.03910	0.3
129.01880	0.2
131.03427	5.8
137.09608	0.2
139.00288	0.6
143.03436	6.2
145.04994	1.1
157.01379	0.9
158.66473	0.2
159.02870	0.3
159.42792	0.2
161.04483	0.6
163.06097	1.6
164.34747	0.2
166.80211	0.2
167.29326	0.2
205.07164	2.7
229.67447	0.4
238.91704	0.2
247.08397	0.4
277.14966	0.2
435.29031	0.5
451.32306	5.2
452.32739	0.6
453.33783	0.2
521.36328	2.5
522.37048	0.3
565.35522	0.3
593.34760	0.2
611.36096	0.6
919.46887	1.7
920.47650	0.5
937.48199	100.0
938.48505	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	933.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03356	2.1
71.01270	12.7
71.56697	0.7
71.57037	0.8
72.99245	0.9
73.02849	2.2
75.00774	1.1
79.52486	0.6
81.03355	0.9
83.01275	28.5
85.02857	4.9
87.00768	4.4
88.98724	1.2
93.03384	1.2
95.01277	1.3
96.95917	2.1
97.02843	4.5
99.00812	2.9
99.04408	1.2
101.02341	7.6
107.01317	1.2
107.04950	0.7
108.02077	7.0
109.02891	4.5
113.02374	4.7
115.00297	5.0
117.03371	0.7
119.04960	3.8
121.02876	2.2
123.04473	2.7
125.02369	36.4
126.02738	1.9
128.03441	0.8
132.02103	3.2
133.02899	2.1
135.04460	1.9
137.02414	1.4
139.00323	0.7
147.04428	1.5
149.02400	2.6
149.05969	0.9
150.03165	1.4
151.00331	2.9
151.03981	1.7
152.01086	7.5
153.01880	4.7
160.01376	0.8
160.04059	0.8
161.02357	5.1
161.04510	1.9
163.03990	1.9
164.04712	1.4
165.01891	1.3
165.05510	1.6
166.02658	1.2
167.03441	1.6
168.00632	1.9
175.02455	7.3
175.03969	1.9
177.01891	4.8
177.05528	2.5
179.03413	1.6
179.07024	0.8
181.04968	1.2
187.04044	1.0
190.02692	2.0
191.03496	2.0
193.05067	0.8
195.06618	1.7
202.02614	1.3
203.03490	1.7
204.04245	2.0
205.05089	1.6
215.03500	2.0
216.04343	4.3
221.04491	0.9
223.06017	1.2
228.04430	1.0
234.05319	2.3
245.06738	2.0
246.05316	1.7
250.06633	0.8
251.07277	1.7
253.05148	3.9
253.08698	0.7
263.07254	1.1
265.08774	0.8
267.03094	0.9
267.06711	2.5
269.04572	2.1
271.06244	1.5
277.08710	0.8
279.06610	2.7
280.07385	2.2
281.04559	2.2
281.07971	1.1
282.05371	5.6
283.06131	2.7
285.04080	2.4
287.05682	12.9
288.06116	1.5
292.07611	1.2
293.04678	1.5
294.05463	4.0
295.06058	3.8
295.09393	0.8
296.06973	13.0
297.04517	0.8
297.07690	4.8
298.05072	4.0
307.06256	3.3
308.06964	17.9
309.04330	1.5
309.07690	9.4
310.08206	1.0
311.09174	1.1
312.06439	7.2
313.07175	5.8
313.10681	1.5
315.07257	8.8
319.06436	1.2
320.06949	7.2
321.07758	4.7
325.07227	1.9
326.07999	8.9
327.08734	5.2
329.10141	1.2
337.07092	0.9
338.08044	14.8
339.08795	14.1
340.09229	1.1
345.65805	0.8
355.08301	1.6
356.09088	24.5
357.09866	97.7
358.10248	6.8
383.06393	2.5
401.07294	1.9
489.14594	0.9
501.13873	3.4
517.09894	2.3
519.15149	36.3
520.15552	3.3
543.15363	1.8
545.12885	0.9
561.16199	23.9
562.16473	2.9
579.16956	1.0
603.17224	8.9
604.17816	1.5
606.27692	0.8
807.23785	7.4
808.23962	1.1
933.26880	100.0
934.27167	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4983
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
65.00225	0.3
66.32992	0.3
67.01763	0.5
68.99698	1.4
69.03353	1.4
70.08047	0.8
70.08461	0.6
71.01270	28.1
72.01615	0.3
72.99199	3.1
73.02840	7.3
75.00761	14.6
81.03325	0.6
83.01273	3.1
83.04922	0.4
84.02065	0.6
85.02843	30.4
86.00006	1.5
86.03165	0.5
87.00774	10.2
87.04413	2.5
88.98697	0.3
89.02342	5.1
93.03348	0.7
95.01283	4.2
96.95918	1.6
97.02880	0.5
99.00780	15.0
99.04391	0.5
101.02348	5.1
107.01329	0.3
108.02084	1.6
109.02846	1.1
111.00771	0.7
111.04414	0.3
112.01558	1.3
113.02356	22.9
114.02674	0.7
115.00244	0.5
115.03936	3.1
116.92746	0.4
119.03449	0.7
119.04963	0.7
121.02855	0.9
123.04430	0.4
125.02357	3.9
127.03991	0.5
131.03430	8.0
134.03677	0.6
135.04437	0.7
137.02385	0.9
138.33592	0.3
139.00285	1.2
143.03442	5.5
145.05017	0.9
149.02364	0.7
149.06039	0.4
150.03181	0.4
151.00285	1.0
151.03926	0.4
152.01100	1.8
153.01884	0.7
156.39449	0.3
157.01357	1.3
160.01640	0.3
161.02373	0.6
161.04465	0.7
163.06032	1.4
165.01936	0.4
165.05536	0.5
166.02600	0.5
166.05066	0.7
175.03928	0.3
176.00833	0.3
177.01868	0.8
179.02045	0.4
179.03470	0.5
181.04921	0.4
188.26988	0.3
190.06595	0.3
193.04964	0.3
195.06607	0.4
205.05200	0.6
205.07079	3.2
223.06036	0.4
269.04633	0.7
271.06140	0.6
285.04068	0.7
287.05746	1.7
289.06616	0.3
295.10675	0.3
297.13205	0.4
315.07254	2.7
339.07278	0.4
366.52295	0.3
381.09711	0.3
383.06091	0.4
397.12595	0.4
401.07318	0.4
425.34381	1.1
453.33859	0.6
473.36511	2.7
517.10126	0.6
535.32043	0.3
559.18176	0.6
587.39471	0.6
714.16876	0.3
765.23340	0.4
880.75903	0.4
909.48932	0.6
927.49811	100.0
928.50269	21.9
928.65063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	0.5
69.28004	3.8
71.01272	23.2
72.99181	1.1
73.02836	8.2
81.03358	4.6
83.01283	3.4
83.04914	9.1
85.02850	5.6
87.00762	1.7
89.02341	9.4
95.01277	1.8
96.95872	0.7
97.02856	0.7
99.00763	0.8
99.04458	0.4
101.02346	12.6
108.04428	0.4
113.01627	0.7
113.02361	8.7
119.03426	3.3
125.02402	0.9
125.07124	1.4
131.03401	1.0
137.02359	0.5
137.09769	0.6
143.03403	1.2
143.08124	0.5
149.04468	0.6
161.04510	4.7
162.05078	0.4
173.09686	1.3
179.05577	1.0
181.05086	0.5
189.12823	7.1
190.99741	0.4
203.05574	1.2
207.13876	1.6
221.06567	0.6
224.17644	1.6
225.16129	8.9
229.94662	0.4
242.18797	0.5
324.26627	1.0
333.23074	1.4
334.02231	0.4
351.24179	0.9
367.27054	1.1
369.19193	5.8
370.19611	0.5
385.28430	0.6
387.20355	10.0
388.20587	0.8
429.21387	32.0
430.21741	3.4
433.31857	6.4
451.33008	100.0
452.26968	0.8
452.33286	11.9
579.97565	0.5
589.00433	0.5
746.67230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99706	1.3
69.03341	1.5
70.06836	1.0
70.07230	1.5
71.01269	25.2
71.04924	0.6
72.01583	0.7
72.99200	3.1
73.02834	8.1
74.67639	0.6
75.00761	13.4
76.15615	0.6
78.73002	0.6
81.03334	1.4
82.18005	0.7
83.01278	3.6
85.02843	19.7
85.99989	1.7
87.00776	10.4
87.04417	2.6
88.98705	1.2
89.02334	4.9
93.03342	1.5
95.01300	3.1
96.95918	3.3
99.00784	12.2
99.04440	1.0
101.02347	6.0
101.17720	0.7
102.11909	0.8
108.02082	1.7
109.02880	1.4
111.00789	0.9
112.01602	0.9
113.02357	12.6
115.00285	1.3
115.03925	2.7
116.92809	0.7
119.04930	1.9
121.02883	1.7
123.04424	1.0
125.02370	11.2
131.03432	6.2
133.02832	1.1
135.04430	1.4
137.02316	0.8
143.03429	5.3
145.04979	1.0
147.04420	0.8
149.02396	2.0
150.03130	1.2
151.00313	2.4
152.01112	0.9
153.01863	1.4
161.02344	2.1
163.03920	1.2
163.06104	1.1
164.04832	0.9
165.05489	1.4
175.03928	1.7
179.07085	1.0
180.04176	0.8
190.02658	1.0
191.03487	1.3
193.05038	0.7
205.05257	0.7
205.07230	2.7
217.05122	1.0
269.04623	1.2
271.06195	1.1
285.04007	3.3
287.05573	3.5
288.06003	0.8
293.04736	1.5
317.06769	3.3
318.07083	0.8
414.09763	0.8
471.35004	2.0
473.36374	2.5
474.69226	0.7
541.39136	1.9
546.03937	0.8
587.39813	4.9
588.39886	1.1
595.16797	1.0
753.14264	0.8
817.37146	0.7
909.49286	1.3
927.49927	100.0
928.50330	21.6
928.64575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.52
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01785	0.8
68.99696	2.6
69.03349	1.1
71.01270	34.0
71.43991	1.1
72.99210	3.7
73.02837	10.2
75.00765	13.1
81.03349	0.9
83.01283	6.0
85.02845	18.4
86.00011	1.6
86.03146	0.6
87.00767	10.1
87.04430	3.0
88.98705	1.4
89.02345	9.0
93.03387	0.9
95.01293	5.1
96.95902	6.9
97.02848	1.3
98.95507	1.5
99.00784	12.7
99.04404	1.1
101.02349	14.6
103.03900	1.8
107.04916	0.6
108.02127	0.6
109.02856	1.6
111.00806	0.7
112.01598	0.7
113.02361	13.9
113.03101	0.5
114.30695	0.6
115.00259	0.9
115.03922	2.9
116.92799	0.7
117.03427	0.8
119.03435	2.2
119.04958	1.5
119.84026	0.6
121.02895	1.2
123.04438	1.2
125.02366	5.6
131.03432	5.2
131.51285	0.6
134.03639	0.8
134.55498	0.6
135.04428	2.5
136.01643	1.0
137.02370	1.5
139.00311	0.8
143.03470	6.9
145.02861	1.1
145.05016	0.9
149.02368	1.7
150.03192	1.2
150.99133	0.6
151.00310	3.1
151.03908	2.2
152.01082	1.7
153.01874	0.9
157.01424	0.7
160.01596	0.6
161.02336	1.2
161.04488	2.1
163.03961	1.3
163.06085	2.0
166.02713	1.1
177.01854	0.7
179.03447	1.0
181.05042	1.2
190.02715	0.7
193.05049	1.7
195.06639	1.2
205.05272	0.9
205.07115	4.4
223.06192	0.7
243.10408	0.8
253.05089	1.1
269.04657	1.7
271.06119	0.9
285.04221	1.6
287.05453	1.2
335.05658	1.4
351.08740	0.9
351.79071	0.6
369.97974	0.6
395.11630	0.8
439.35895	3.9
455.09927	2.1
464.12228	0.7
509.40097	2.8
510.40765	0.7
545.13446	1.2
575.14343	2.0
599.39929	1.0
650.94073	0.6
763.30371	1.3
809.06830	0.7
860.53137	0.6
907.52081	0.9
925.51666	100.0
926.33032	1.1
926.51868	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	925.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91827	0.2
67.01778	0.3
68.99713	2.0
69.03320	1.1
71.01268	26.3
72.99198	3.0
73.02831	6.8
75.00760	9.9
81.03360	0.5
83.01278	4.0
84.11089	0.3
85.02840	14.1
85.99980	1.1
87.00770	7.8
87.04411	2.7
89.02338	6.3
95.01282	4.2
97.02831	0.8
98.19791	0.8
99.00779	10.3
99.01428	0.5
99.04384	0.3
101.02341	9.7
101.03010	0.5
103.03911	2.6
109.02861	0.3
111.00764	0.7
112.01572	0.4
113.02355	9.3
114.02681	0.3
115.00267	0.4
115.03924	3.3
119.03414	1.5
125.02367	0.5
127.03914	0.3
131.03413	4.7
139.00287	0.4
140.13687	0.2
143.03427	5.4
145.04976	0.7
146.70909	0.2
157.01340	0.7
161.04466	1.0
163.06068	1.6
205.07178	3.9
208.09355	0.3
367.34769	0.3
423.32465	0.4
439.35916	3.8
509.40033	2.1
510.40521	0.3
553.39185	0.4
568.44629	0.3
599.39655	0.7
612.95984	0.3
907.50476	1.3
925.51819	100.0
926.52100	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	925.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17218	0.2
67.01774	0.5
68.99707	1.7
69.03342	1.2
69.53625	1.0
71.01269	32.1
72.01604	0.3
72.99199	3.0
73.02835	10.1
75.00763	13.1
81.03346	0.5
83.01275	4.5
84.02068	0.2
85.02843	19.0
85.99991	2.1
86.03182	0.2
87.00772	8.8
87.04404	3.2
88.01049	0.2
89.02338	6.1
93.03398	0.1
95.01287	5.2
95.01908	0.2
97.02851	1.2
97.06492	0.1
99.00778	13.2
99.04418	0.3
100.01099	0.2
101.02345	12.7
102.02635	0.2
103.03914	2.4
111.00785	0.6
112.01548	0.6
113.02356	12.6
115.00281	0.6
115.03924	4.3
117.64387	0.1
119.03426	1.8
125.02341	1.2
127.03957	0.4
129.01897	0.2
131.03429	5.9
132.03838	0.2
137.09491	0.2
139.00288	0.6
143.03433	6.3
145.04994	0.9
157.01378	1.1
159.02905	0.3
161.04527	0.9
163.06079	1.7
205.07126	3.2
207.29524	0.2
247.08231	0.4
329.91016	0.1
423.32724	0.3
425.34506	0.3
439.35861	4.2
440.36307	0.5
441.37582	0.3
484.07803	0.2
485.36896	0.2
509.40054	2.8
510.40509	0.3
511.37131	0.2
537.39667	0.2
553.39148	0.3
581.38654	0.2
599.39789	0.4
779.46283	0.2
863.51880	0.3
907.50647	1.7
908.51880	0.3
925.51831	100.0
926.52179	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01757	0.4
68.99702	1.1
69.03326	1.4
69.39711	0.3
71.01270	26.1
71.51981	0.5
72.01599	0.3
72.99182	2.9
73.02838	6.0
75.00761	10.7
77.04535	0.4
81.03338	0.5
83.01278	3.6
83.04928	0.4
85.02843	17.4
85.99995	1.6
86.03188	0.5
87.00773	8.5
87.04421	2.2
88.98683	0.8
89.02338	3.8
93.03349	0.9
95.01274	3.4
96.95921	4.1
97.02837	0.8
97.65963	0.3
99.00780	15.5
99.04389	0.5
101.02345	4.4
103.03905	0.6
108.02052	1.2
109.02847	1.4
111.00775	0.4
111.04376	0.4
112.01559	0.8
113.02359	10.6
115.00256	0.9
115.03925	2.8
116.92747	0.5
117.01759	0.4
117.03349	0.6
119.03388	1.2
119.04913	1.1
121.02832	0.8
123.00834	0.5
123.04417	0.7
125.02365	5.6
129.01849	0.4
131.03419	5.3
133.01355	0.5
133.02805	0.5
134.03648	0.8
135.04434	1.9
136.01535	0.5
137.02335	0.8
139.00293	0.6
143.03430	4.7
145.04956	0.9
149.02402	0.8
149.05936	0.4
150.03136	0.7
151.00320	1.6
151.03976	0.5
151.61931	0.3
152.01077	1.2
153.01833	0.8
153.05498	0.4
153.96025	0.3
157.01332	1.3
160.01581	0.3
161.02388	1.0
161.04482	0.9
162.02834	0.4
163.04021	0.7
163.06030	0.7
165.05457	0.9
166.02684	0.6
169.05228	0.4
175.00244	0.4
177.01839	0.5
181.04927	0.4
193.04971	0.5
203.07153	0.5
205.05261	0.4
205.07115	2.0
223.06084	0.4
228.07877	0.5
229.08772	0.5
243.10211	0.9
269.04514	1.2
271.06128	1.0
285.04169	0.7
287.05640	1.5
288.06067	0.7
315.07275	0.5
335.05627	0.9
339.12268	0.4
365.10425	0.5
379.11526	0.4
425.08820	2.7
426.09232	0.5
453.33951	0.6
469.33380	3.7
471.34927	7.7
472.35135	1.1
513.36157	1.6
539.37592	1.7
545.13086	3.1
546.13672	0.5
553.35468	2.0
567.37103	0.9
585.29187	0.7
585.38074	9.9
586.38391	0.9
593.16235	0.5
603.39246	1.2
614.26428	0.3
629.37109	5.4
630.37433	0.4
634.76447	0.3
677.22009	0.4
699.41589	1.6
711.28247	0.3
717.42523	0.7
745.28857	0.7
763.30200	0.3
781.11926	0.4
907.47858	1.6
925.48285	100.0
926.48560	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	925.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01777	0.8
68.99693	1.2
69.03331	1.2
71.01267	23.4
71.31975	0.3
71.32285	0.5
72.01604	0.3
72.99194	2.3
73.02832	7.7
75.00761	13.6
83.01274	2.8
84.02086	0.5
85.02843	23.3
85.99971	1.8
87.00767	6.5
87.04411	2.6
89.02332	3.6
95.01278	2.6
96.95907	1.1
97.02869	0.8
99.00775	12.7
99.04408	0.4
101.02347	3.4
103.03910	1.4
108.02039	0.4
109.02853	0.5
111.00820	0.4
112.01550	0.4
113.02353	13.6
114.02687	0.4
115.00291	0.6
115.03903	3.6
125.02377	0.8
126.23043	0.3
128.96686	0.3
131.02477	0.6
131.03424	7.6
132.03714	0.3
137.02396	0.4
139.00284	0.5
143.03416	5.8
145.04985	1.4
157.01367	1.1
163.06055	1.0
205.07155	2.8
230.11224	0.3
233.93094	0.4
269.04691	0.7
341.68295	0.3
423.32645	0.5
439.32092	1.5
441.33725	2.5
469.33252	1.1
509.36584	0.5
539.37952	0.6
555.36810	2.0
907.47510	0.9
925.48218	100.0
926.48590	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99691	1.9
69.03335	1.9
69.95598	2.5
71.01270	34.5
72.01605	1.0
72.99193	3.3
73.02837	9.6
75.00764	11.2
81.03308	0.6
83.01279	5.4
85.02847	20.8
85.03362	1.2
85.99979	1.7
86.03191	0.6
87.00772	9.7
87.04410	2.9
88.98687	0.7
89.02338	6.9
93.03363	1.5
95.01279	4.5
96.95901	3.8
97.02859	1.3
99.00778	14.6
99.04387	0.9
100.01123	0.6
101.02342	11.1
103.03915	2.3
107.01312	0.8
108.02071	1.3
109.02845	1.9
111.00761	0.8
112.01585	0.9
113.02360	15.0
115.00282	1.0
115.03906	3.4
116.92796	0.9
118.74662	0.5
119.03412	1.5
119.04935	1.3
121.02888	0.8
125.02361	4.5
129.01891	0.8
131.03441	6.1
132.84253	0.5
135.04445	1.8
137.02365	2.2
139.00305	1.2
143.03427	7.5
145.04967	0.9
149.02344	1.1
150.03181	1.0
151.00323	1.5
151.03941	1.0
152.01076	1.8
153.01842	1.0
157.01338	0.9
161.02423	0.9
161.04495	1.7
163.06067	1.8
164.04692	0.8
165.05550	1.3
175.02550	0.7
177.01866	1.5
179.03593	0.8
193.05002	0.8
195.06516	0.7
205.05353	0.6
205.07135	3.0
209.08237	0.6
237.77986	0.5
253.05103	0.6
269.04706	1.5
270.05231	0.5
271.06229	0.9
284.03183	0.8
285.03845	1.0
287.05664	0.9
299.05670	2.2
335.05734	0.6
353.09973	0.6
365.10251	0.5
425.08890	0.8
439.32196	2.3
441.34030	0.7
471.34689	0.6
498.72839	0.6
509.36560	2.1
553.35529	0.6
763.41840	0.5
907.47668	1.3
924.46747	3.7
925.48181	100.0
926.30365	1.2
926.48523	18.5
926.66461	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01780	0.6
68.99689	1.6
69.03350	0.9
69.21233	5.4
71.01272	25.8
72.99183	2.2
73.02838	7.8
75.00765	11.1
83.01266	3.2
84.95015	0.7
85.02844	18.2
85.88600	0.4
85.99985	1.4
87.00757	7.5
87.04413	2.2
89.02345	2.4
95.01299	3.4
97.02856	0.5
99.00782	11.0
101.02354	3.2
103.03893	0.5
112.01537	0.6
113.02359	8.5
115.03902	2.2
119.03447	0.5
125.02385	0.7
131.03435	6.6
143.03429	4.2
145.04961	0.8
157.01358	1.0
163.06059	1.1
164.04059	0.5
202.57404	0.5
205.07132	2.6
227.13394	0.5
467.35321	2.6
537.40027	1.0
905.48431	1.1
923.50336	100.0
924.50677	18.9
924.78577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01760	0.3
68.99707	1.4
69.03323	0.9
70.39531	0.5
71.01268	27.8
72.01585	0.4
72.99192	2.5
73.02835	8.4
75.00761	10.9
81.03338	0.3
83.01275	3.6
84.14252	0.2
85.02839	17.4
85.99995	1.5
87.00767	7.8
87.04423	2.3
89.02335	6.0
95.00718	0.4
95.01284	4.8
96.95920	2.1
97.02842	0.9
99.00778	11.2
99.04408	0.4
101.02340	10.9
103.03905	1.5
108.02116	0.4
109.02840	0.3
111.00764	0.5
112.01536	0.5
113.02356	10.7
115.00327	0.3
115.03912	3.2
119.03399	1.2
125.02337	0.9
131.03421	4.4
136.94872	0.3
137.09618	0.3
139.00322	0.5
143.03430	5.6
145.04976	1.1
152.01123	0.4
157.01390	0.6
161.04480	0.7
163.06052	1.3
167.03517	0.3
176.59027	0.3
205.07140	3.1
240.99988	0.3
269.04593	0.3
293.23706	0.3
304.23605	0.3
367.26639	0.4
382.25613	0.3
409.12872	0.3
419.29291	0.3
421.31113	0.3
434.14047	0.4
437.34381	3.3
438.34369	0.4
439.35925	0.3
506.09326	0.3
507.38663	2.4
508.38879	0.3
601.12543	0.3
644.60938	0.3
761.25061	0.9
905.48718	1.7
923.50293	100.0
924.50604	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	923.5035
Annotation	CHEBI:62863
Peak:m/z	Relative Intensity
67.01761	0.6
68.99702	1.8
69.03348	1.3
70.12530	0.2
70.23875	0.6
70.24267	0.5
71.01267	33.6
71.04932	0.2
72.01625	0.4
72.99200	3.6
73.02834	7.5
75.00762	11.6
81.03360	0.5
83.01275	4.4
83.04933	0.5
85.02841	18.6
85.99995	1.5
87.00230	0.5
87.00767	8.8
87.04410	2.3
87.22670	0.3
89.02337	7.7
90.37472	0.2
94.55907	0.2
95.01283	4.9
96.95909	3.2
97.02852	1.4
98.19860	0.3
99.00778	11.8
99.04421	0.6
101.02345	12.6
102.02747	0.2
103.03926	2.9
109.02859	0.3
111.00794	0.8
112.01575	0.6
113.02356	12.3
114.02695	0.3
115.00278	0.7
115.03930	3.2
116.92801	0.3
119.03417	1.8
119.04878	0.3
120.43877	0.3
121.02908	0.3
125.02365	0.8
127.03959	0.4
129.01811	0.4
131.03416	5.6
137.09630	0.3
139.00282	0.8
143.03430	6.2
145.04985	1.3
157.01352	0.9
161.04491	1.7
163.06085	2.2
174.08182	0.3
193.27316	0.3
205.07162	3.9
247.08220	0.3
419.29364	0.3
421.31335	0.5
437.34311	3.4
438.34607	0.7
507.38458	2.7
551.38037	0.5
588.68982	0.3
597.37762	0.5
784.78265	0.2
795.45062	0.4
796.46295	0.3
861.49457	0.3
905.49225	1.4
923.50275	100.0
924.50623	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	923.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01785	0.6
68.99705	2.2
69.03340	1.1
70.58447	0.6
71.01268	30.1
72.01601	0.4
72.99194	3.1
73.02834	8.4
74.03141	0.2
75.00761	12.9
81.03352	0.3
83.01277	4.1
85.02840	18.0
85.99987	1.8
87.00234	0.5
87.00771	8.0
87.04414	2.7
89.02330	4.6
95.01279	5.1
96.95916	0.3
97.02853	1.0
97.06466	0.3
99.00776	13.1
99.04432	0.4
101.02344	10.5
103.03903	1.8
109.02821	0.2
111.00809	0.6
112.01564	0.5
113.02356	12.1
114.02691	0.2
115.00262	0.5
115.03923	3.2
119.03419	1.5
125.02357	0.8
127.03943	0.2
130.70474	0.2
131.03421	5.6
134.67499	0.2
137.02342	0.2
139.00275	0.6
143.03441	6.0
143.04565	0.4
145.04984	0.9
157.01343	0.9
159.02937	0.4
161.04478	0.9
163.06090	1.4
164.08594	0.2
205.07147	3.3
205.54987	0.2
247.08231	0.4
338.64868	0.2
405.27847	0.2
421.31171	0.7
437.34311	5.0
438.34637	1.0
439.36041	0.6
473.94913	0.2
507.38669	2.6
508.38657	0.3
530.79840	0.2
551.37671	0.6
597.38068	0.7
861.49939	0.3
905.49255	1.6
923.50299	100.0
924.50574	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	923.5036
Annotation	CHEBI:62863
Peak:m/z	Relative Intensity
67.01760	0.3
68.99705	1.9
69.03329	0.8
69.81671	0.4
69.82082	0.8
71.01268	26.5
72.99197	2.8
73.02835	6.9
75.00766	9.7
75.01196	0.5
81.03357	0.5
83.01279	4.3
84.44181	0.2
85.02842	15.9
85.99978	1.4
86.03173	0.3
87.00772	7.2
87.04412	2.1
89.02336	7.2
95.01284	4.5
97.02846	0.9
98.19895	0.4
99.00782	10.6
99.04413	0.3
99.11228	0.2
101.02347	10.3
103.03914	2.2
109.02870	0.4
111.00780	0.7
112.01566	0.3
113.02359	9.7
115.00325	0.5
115.03919	3.0
119.03416	1.8
125.02368	0.8
127.03942	0.3
131.03426	4.9
139.00331	0.4
143.02376	0.4
143.03433	5.1
144.03743	0.3
145.04990	0.9
157.01410	0.7
161.04491	1.2
163.06059	1.5
195.17226	0.2
205.07143	3.6
258.00439	0.2
282.50262	0.3
421.31247	0.4
437.34335	4.4
438.34796	0.6
507.38547	2.3
508.39301	0.4
551.37262	0.4
552.38422	0.3
579.36786	0.3
597.37885	0.5
605.63647	0.2
905.49200	1.7
906.49792	0.3
923.50317	100.0
924.50616	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	923.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03831	0.3
66.88670	0.2
67.01775	0.9
68.99704	2.7
69.03354	1.5
71.01269	35.3
71.56211	0.5
72.01604	0.3
72.99200	2.7
73.02836	10.0
73.03252	0.5
75.00764	16.1
76.43361	0.3
77.03141	0.2
81.03355	0.7
83.01279	5.2
83.04915	16.3
84.05230	0.3
85.02843	25.6
85.99980	2.0
86.03149	0.3
87.00773	8.9
87.04420	2.3
88.98684	0.4
89.02335	3.6
93.03381	0.4
95.01279	3.5
96.95914	1.4
97.02844	0.9
99.00780	18.3
99.04420	1.1
99.25452	0.3
101.02348	5.5
103.03904	1.5
109.02903	0.6
111.00795	0.7
112.01585	0.7
113.02355	12.8
115.00292	0.8
115.03932	2.5
116.92770	2.2
119.03377	0.7
119.04954	0.4
121.02764	0.3
123.04395	0.4
125.02370	4.3
127.03919	0.5
129.01860	0.8
131.03429	8.0
135.04472	0.6
137.02368	0.5
139.00281	0.5
143.03435	6.0
145.05031	0.6
151.00368	0.5
151.03949	0.4
157.01421	1.3
161.02397	1.0
161.04442	0.6
163.06090	0.9
165.05484	0.4
201.08943	0.3
205.07140	2.5
269.04602	0.5
287.05652	1.8
339.26688	0.4
389.28592	0.4
405.31882	1.4
406.32187	0.3
423.32843	2.1
481.76614	0.3
493.37048	1.0
545.13538	0.4
627.35577	0.5
761.28296	0.6
879.47723	4.2
880.47888	0.7
905.45239	1.7
923.46686	100.0
924.47021	19.7
924.66095	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.3
68.24705	0.4
68.99707	1.9
69.03342	1.2
70.83504	0.3
71.01269	24.8
72.01599	0.4
72.99200	2.0
73.02839	5.2
75.00768	6.9
75.04604	0.3
77.76572	0.3
83.01276	3.5
83.04900	0.9
85.02841	16.2
85.99989	1.3
86.03180	0.4
87.00769	6.4
87.04390	1.9
88.98679	0.4
89.02328	3.1
93.03358	1.3
95.01305	2.5
96.95908	2.6
97.02862	0.6
98.20584	0.6
99.00777	19.5
99.04466	0.5
100.01105	0.5
101.02329	2.7
103.03889	0.7
107.04956	0.4
108.02057	0.9
109.02857	1.1
111.00782	0.8
112.01597	0.5
113.02360	9.6
115.00281	0.9
115.03901	1.9
116.92713	0.3
117.03395	0.4
119.03393	0.7
119.04935	1.1
121.02850	1.1
123.04416	0.5
123.08099	0.7
125.02374	3.3
129.01855	0.8
131.03413	4.2
134.03694	0.6
135.04454	1.5
137.02408	1.6
139.00252	0.4
143.03435	3.5
145.05017	0.8
149.02362	0.9
149.05968	0.4
150.03162	0.5
151.00291	1.1
151.03926	0.5
151.07608	0.3
152.01038	1.1
153.01830	0.4
157.01347	1.3
160.01506	0.5
161.02341	1.0
161.04497	0.6
163.03922	0.8
164.04805	0.3
165.05544	0.8
166.02699	0.5
175.02534	0.4
175.03911	0.8
176.04437	0.3
177.01939	0.5
179.03450	0.4
179.07063	0.4
181.04901	0.5
190.02580	0.4
193.05150	0.3
195.06619	0.4
201.61595	0.3
205.07152	1.0
209.08162	0.5
223.06349	0.4
253.05051	0.6
269.04648	0.7
271.06262	0.6
283.46451	0.3
284.03418	0.8
285.04330	0.4
287.05661	0.7
299.05557	1.0
395.11380	1.3
405.31650	0.7
409.31091	0.4
421.31134	0.6
423.32690	1.4
425.34268	0.7
451.32123	0.3
467.31616	1.7
469.33173	4.4
511.34247	0.9
537.35748	2.4
551.33942	2.5
552.34479	0.4
557.16815	0.6
563.13898	0.6
583.36560	3.7
584.36908	0.8
601.37781	0.8
627.35455	5.2
628.35632	0.8
657.84619	0.4
680.10052	0.5
697.39948	0.9
715.40967	2.8
716.40491	0.5
717.40204	0.4
861.46405	0.8
905.45996	1.3
923.46692	100.0
924.47046	22.3
924.66028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.8
68.99706	1.6
69.03349	1.4
71.01269	31.0
71.04911	0.3
72.01609	0.4
72.99196	2.6
73.02836	9.5
75.00764	12.9
80.74812	0.2
81.03363	0.3
83.01276	4.7
84.02058	0.4
85.02842	25.0
85.99994	2.0
86.03139	0.2
87.00770	8.5
87.04416	2.8
89.02338	3.2
95.01292	2.9
96.63479	0.2
97.02851	0.9
99.00779	15.5
99.04414	0.7
101.02350	3.8
103.03902	1.3
111.00803	0.6
112.01569	0.5
113.02355	12.2
115.00292	0.5
115.03917	3.2
116.04230	0.2
119.03439	0.6
125.02364	0.5
127.03939	0.3
131.03424	7.5
139.00287	0.4
143.02345	0.4
143.03436	5.1
143.22437	0.3
145.05016	0.9
157.01369	1.1
161.04564	0.2
163.06056	1.1
205.07164	2.4
210.59160	0.2
247.08217	0.3
272.03708	0.2
290.89249	0.2
294.12024	0.2
405.31723	1.0
426.44650	0.2
437.30789	0.8
439.32291	0.5
460.35757	0.2
467.31870	1.7
507.34979	0.9
537.36053	0.5
627.35638	0.6
905.45154	1.1
923.46649	100.0
924.46985	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	1.1
68.99696	1.9
69.03365	1.2
69.23885	6.7
71.01271	28.8
71.01670	1.4
72.99194	2.5
73.02829	6.8
75.00768	7.3
81.80220	0.6
83.01290	3.4
85.02839	16.9
85.09605	0.6
85.99986	1.6
87.00774	8.9
87.04405	2.0
88.98683	0.8
89.02338	3.3
93.03370	1.0
95.01270	2.6
96.95916	1.8
99.00780	16.5
101.02342	4.1
107.01288	1.6
108.02107	0.9
109.02829	0.7
111.00807	0.8
113.02354	10.5
115.00293	1.4
115.03909	1.5
116.92762	1.8
117.92796	0.8
119.03510	1.0
119.04963	3.4
120.05318	0.6
121.02872	0.7
123.04439	0.7
125.02351	1.7
131.03412	4.8
137.05984	0.7
137.78494	0.6
139.00290	0.9
143.03412	4.5
145.05016	0.7
149.02394	0.6
150.03156	0.6
151.00320	5.4
151.03958	1.3
152.00676	1.2
153.01903	1.0
157.01393	0.9
161.04488	1.5
163.06068	1.2
165.01830	1.0
165.05511	2.0
205.07098	1.4
209.08246	1.4
262.93277	0.6
269.04593	1.3
271.06134	2.0
272.06415	0.8
273.06970	0.7
274.82364	0.6
287.22287	1.2
343.08142	1.0
350.07559	0.7
365.10565	0.7
395.11292	1.1
417.15948	0.8
467.31378	3.3
469.33322	7.0
470.34155	0.7
511.34161	1.4
537.35992	1.1
551.33966	2.2
583.36542	7.6
584.36584	2.1
617.67328	0.6
627.35339	4.8
641.77460	0.7
737.30353	0.7
851.40039	2.8
905.46326	1.3
923.46716	100.0
924.47046	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	2.0
69.03324	1.1
69.43211	0.5
71.00507	1.1
71.01270	30.2
72.99197	1.7
73.02837	8.1
75.00370	1.0
75.00766	13.7
79.13289	0.5
83.01265	4.4
83.33852	0.6
85.02843	23.2
85.99956	1.3
86.03112	0.6
87.00769	7.6
87.04423	3.0
89.02354	3.1
95.01284	3.5
96.95864	0.9
97.02883	0.7
99.00781	12.1
101.02340	3.7
103.03910	1.3
112.01473	0.5
113.02361	11.5
115.00256	0.7
115.03918	2.6
115.99916	0.6
119.03397	0.8
131.03427	6.9
139.00241	0.7
143.03419	5.0
145.04958	0.6
157.01326	0.9
163.06039	1.0
172.25043	0.6
205.07095	1.7
207.10239	1.2
225.11276	1.3
243.12251	0.6
317.73898	0.5
465.37561	3.6
475.53809	0.6
524.76379	0.6
535.41608	0.9
620.54993	0.6
861.49622	2.6
903.51190	1.4
921.52393	100.0
922.52673	22.1
930.23761	0.7
942.59448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00206	18.8
68.99687	0.5
69.59598	0.3
70.99841	0.5
71.01263	2.3
73.02840	0.9
75.00768	0.4
81.03351	1.0
83.01276	10.1
83.04874	0.3
85.02847	1.7
87.00787	0.8
89.02342	0.9
89.03885	0.3
91.01797	0.5
93.03357	5.8
94.82381	0.3
95.01287	0.7
96.95902	1.2
97.02843	0.5
99.00785	0.7
101.02374	1.7
107.01290	29.3
107.04944	0.3
108.02069	1.0
108.99200	0.5
109.02880	0.9
113.02357	1.1
116.92769	2.2
117.03361	1.3
119.04938	33.2
120.05283	1.1
121.02840	0.8
123.04428	0.7
124.01641	0.3
125.02362	9.0
131.01245	0.4
133.02901	0.6
134.03673	0.3
135.00812	0.6
135.04388	0.7
136.01558	0.5
137.02327	1.6
143.03656	0.4
143.04955	1.5
145.02876	5.6
147.04460	0.3
149.02386	0.9
150.03110	0.4
151.00304	100.0
152.00677	2.2
153.01866	0.5
159.06595	0.6
160.01482	0.3
160.03995	0.8
161.02359	0.8
161.06036	1.2
163.00310	0.4
163.03922	0.4
164.01143	0.9
165.01871	3.5
166.02583	0.4
167.03386	0.5
169.01395	4.4
171.04437	0.3
175.00333	2.0
175.03952	0.4
177.01877	9.6
185.06088	1.6
187.03955	2.7
189.01891	0.4
189.98865	0.3
191.03447	0.3
193.01408	1.1
196.00072	0.5
199.07626	0.5
205.01448	0.7
205.05164	0.4
209.06091	0.3
209.94441	0.3
217.01357	0.4
223.05995	0.3
227.07141	2.2
229.05127	0.7
235.02550	0.8
253.05055	0.7
269.04626	0.7
270.05307	0.4
271.06165	42.4
272.06543	2.4
287.22321	2.1
313.07199	0.6
339.07321	1.4
365.10364	0.3
377.33707	0.3
407.71997	0.3
409.12662	0.6
441.10709	0.5
459.12299	1.0
511.54755	0.3
561.16339	0.3
579.17200	1.0
729.33673	2.9
757.33136	0.7
849.39288	59.9
850.39539	10.7
877.38550	15.1
878.39386	2.7
921.40558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00214	9.5
67.01779	0.9
69.55228	3.8
71.01269	9.5
72.99184	0.9
73.02841	2.9
75.00775	0.8
83.01277	8.0
84.01622	0.5
85.02842	3.9
87.00786	1.5
88.98697	8.3
89.02346	3.2
92.05004	0.5
93.03358	5.9
95.01247	1.3
96.95911	6.0
97.02891	0.6
99.00787	1.8
101.02348	6.2
107.01292	18.3
108.02063	1.7
108.60578	0.5
109.02853	2.6
111.00788	0.7
113.02361	4.5
115.00311	0.8
117.03374	2.0
119.04945	32.8
120.05265	1.0
121.02872	2.8
123.04454	0.9
125.02366	9.0
133.02901	2.1
135.00826	0.8
135.04445	5.1
136.01572	1.7
137.02373	2.2
143.03542	0.6
143.04945	1.0
145.02896	5.6
147.04503	0.7
149.02367	2.4
150.03093	0.8
151.00308	91.4
152.00793	2.2
153.01881	1.2
161.02388	1.2
161.04503	2.9
161.06036	1.5
163.03984	0.7
164.01199	1.3
165.01938	3.5
165.05518	1.2
165.88115	0.5
167.03487	1.1
169.01410	2.6
175.00287	1.8
175.02496	0.8
175.03984	0.6
177.01897	7.0
179.03389	0.6
181.04982	1.0
185.06052	1.7
187.03989	2.4
190.02623	0.6
191.03520	0.6
191.07188	0.7
193.01410	2.3
195.06631	1.0
196.00134	1.1
199.03999	0.6
205.01450	1.3
217.01384	0.7
217.05086	0.6
223.06105	0.8
227.07094	2.5
235.02550	3.4
251.07237	0.8
255.02953	1.1
255.06618	0.6
256.03650	0.6
269.04581	2.3
269.10355	2.3
270.05219	1.4
271.06177	72.7
272.06570	4.0
283.02829	1.0
283.06494	1.0
283.09863	2.4
284.03336	5.3
285.04086	4.5
289.09415	1.0
295.05997	1.1
297.03922	0.8
297.07492	0.9
297.11526	0.7
298.04803	0.8
299.05685	7.9
301.07208	0.8
301.70639	0.6
311.05905	1.2
313.07324	2.9
327.12677	0.6
337.09402	3.1
339.07471	2.1
339.12021	0.6
341.14008	4.2
353.06592	0.9
375.09586	0.6
417.15723	1.2
425.09155	0.6
433.11768	1.2
453.17972	0.6
455.19351	1.2
459.11630	8.4
461.10883	1.3
503.18872	1.1
545.12964	1.0
579.17303	100.0
580.17682	11.7
603.17157	4.1
604.17792	0.8
647.16321	44.0
648.16742	5.7
813.46588	0.6
917.27679	5.3
918.29956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99702	1.7
69.03338	1.8
71.01270	35.9
71.54379	1.0
72.01613	0.6
72.99201	2.8
73.02443	0.8
73.02836	9.8
75.00764	13.8
83.01274	6.0
83.04913	0.6
85.02843	22.8
85.71825	0.4
85.99982	1.7
87.00768	7.8
87.04404	2.3
88.98711	1.2
89.02343	4.6
93.03371	0.7
95.01290	3.2
96.95924	4.2
97.02857	0.7
99.00780	14.3
99.04401	0.6
100.01232	0.5
101.02351	6.6
103.03894	1.5
108.02074	1.3
109.02849	1.5
111.00804	0.5
113.02355	12.3
115.00356	1.0
115.03919	2.2
116.91871	0.5
119.03392	0.7
119.04948	1.6
121.02867	0.6
122.03664	0.5
123.04453	1.3
125.02355	1.7
131.03419	7.9
134.03618	0.6
135.04495	1.1
136.01593	0.6
137.02342	0.7
139.00247	0.9
142.58925	0.5
143.03455	5.1
145.02884	0.8
145.05003	0.8
147.04541	0.8
150.03162	1.0
151.00301	1.1
151.03918	1.1
152.01082	1.0
153.01819	0.8
157.01312	1.2
159.01251	0.5
160.04015	0.7
161.02332	0.8
161.04535	0.8
163.03912	0.6
163.06071	0.8
165.05504	1.2
166.02585	0.8
166.05011	0.6
179.03430	1.0
179.05588	0.5
179.07182	0.5
193.05075	0.5
195.06505	0.9
205.07172	2.5
209.08324	0.6
284.03320	0.7
299.05807	0.6
401.14590	0.6
443.01694	0.5
455.35385	2.4
525.39844	0.9
613.27319	0.8
893.50079	1.0
911.50372	100.0
912.50873	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	917.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99730	0.4
69.03350	3.4
70.80003	1.0
71.01268	5.3
73.02845	1.2
73.22778	0.5
81.03346	1.8
83.01273	1.5
85.02850	2.1
95.01276	1.0
96.95903	1.4
97.02853	14.7
99.00792	0.9
99.04421	50.7
100.04780	1.3
101.02348	16.4
113.02373	1.9
114.58971	0.5
125.02368	100.0
126.02715	2.7
143.03397	2.6
161.04507	3.4
168.62335	0.5
177.00545	0.6
177.01857	3.4
179.03458	0.6
191.32297	0.5
203.05560	3.8
221.04460	0.7
225.07726	0.6
243.08772	3.4
287.07886	1.6
305.08884	0.5
329.08835	9.9
330.09088	0.7
354.29623	0.5
369.11993	4.2
372.86731	0.6
431.12036	46.2
432.12460	3.2
485.13095	5.6
486.13739	0.8
597.30554	0.6
645.41876	0.5
758.22485	0.6
772.35187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99677	1.7
69.03332	1.4
71.01269	35.6
71.52126	0.8
72.99207	3.1
73.02837	10.6
75.00760	14.8
81.03343	0.8
83.01273	5.6
84.02012	0.8
85.02840	22.9
85.99966	1.6
87.00772	7.8
87.04413	2.9
88.98737	0.7
89.02332	5.1
92.81435	0.6
93.03352	0.9
95.01279	3.1
96.95910	5.0
97.02835	1.3
99.00776	15.4
101.02345	6.2
102.53072	0.6
103.03917	1.1
108.02017	1.6
109.02848	1.4
111.00758	0.8
111.19811	0.7
113.02350	10.9
115.00301	0.9
115.03928	2.6
119.03362	0.9
119.04947	1.2
121.02820	0.9
123.04464	0.9
125.02377	5.5
129.01956	0.6
131.03426	6.8
133.02853	0.8
135.04433	2.0
137.02380	1.2
139.00330	0.9
143.03447	4.7
149.02376	1.5
151.00328	2.0
152.01120	1.5
153.01859	1.1
157.01338	1.1
161.02341	1.3
161.04573	1.2
163.04012	0.6
163.06076	1.2
165.05542	1.1
177.02039	0.7
179.03534	0.9
179.05624	0.7
205.05280	0.6
205.07141	2.6
209.11798	1.3
225.05652	0.6
269.04593	1.0
284.03281	0.8
285.04034	1.6
287.05783	1.0
300.02783	0.7
315.05231	2.3
337.07690	0.8
363.08917	1.0
381.10001	1.9
425.33862	0.7
455.35437	1.9
525.39532	1.7
557.56891	0.7
778.15411	0.7
795.60181	0.8
893.49493	1.2
911.50446	100.0
912.50708	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	911.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	1.3
69.03341	0.8
71.01272	34.6
71.31300	0.6
71.31631	0.5
72.99203	2.3
73.02838	5.4
75.00764	10.1
83.01273	5.4
85.02847	21.7
87.00768	3.2
89.02341	9.3
94.21291	0.4
95.01285	5.7
96.95914	1.8
97.02825	0.8
99.00779	13.1
101.02345	13.1
111.00782	0.7
112.01517	0.7
113.02355	14.8
114.16525	0.5
119.03416	1.3
123.04480	0.5
125.02357	1.1
128.58963	0.4
129.01891	0.7
131.03424	11.4
139.00256	1.1
143.03403	0.8
149.04532	2.2
157.01355	1.2
161.04500	1.9
172.74846	0.5
191.05574	6.5
233.06619	0.9
323.16714	0.5
401.07047	0.6
423.32489	0.6
439.35910	4.3
440.36163	0.6
509.39975	3.8
510.40375	0.8
553.38940	0.7
751.64142	0.5
893.48761	2.1
911.50305	100.0
912.50604	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42590	0.3
67.01772	0.5
68.99696	1.5
69.03333	1.3
71.01268	31.2
71.04941	0.3
71.52223	0.4
72.01594	0.6
72.99198	3.2
73.02831	8.3
75.00761	14.2
81.03316	0.4
82.35484	0.3
83.01276	4.3
83.19565	0.3
85.02840	25.2
85.99994	1.6
87.00239	0.4
87.00771	8.7
87.04407	3.0
89.02334	4.5
93.03350	1.9
95.01288	3.3
96.95908	1.2
97.02841	0.8
99.00776	14.1
99.04426	1.2
100.01089	0.4
101.02347	5.2
101.05963	0.7
103.03900	1.4
108.02054	0.9
108.54139	0.3
109.02851	1.3
111.00777	0.9
112.01597	0.6
113.02361	12.0
114.02676	0.3
115.00256	0.6
115.03926	2.8
116.92719	0.4
119.03415	0.6
119.04906	0.6
121.02870	0.6
125.02366	2.0
126.88306	0.3
129.01852	0.6
131.03413	7.0
132.03856	0.3
133.02876	0.5
135.04472	1.5
137.02374	2.5
139.00330	0.6
143.03435	5.6
145.02853	0.4
145.05054	0.6
147.04375	0.4
149.02374	0.4
151.00307	0.6
152.01099	1.2
153.01825	0.8
157.01355	1.0
161.02386	0.5
162.03088	0.3
163.03900	0.4
163.06064	1.2
165.05530	0.9
175.04030	0.3
193.04781	0.4
203.07132	0.4
205.05376	0.5
205.07166	2.6
216.73369	0.3
229.08711	0.7
253.04987	0.5
264.04327	0.3
269.04617	1.0
271.05975	0.4
315.07306	0.6
340.37036	0.4
453.34152	0.5
455.35269	3.3
456.35825	0.7
525.40027	1.5
545.12628	0.4
551.95087	0.3
569.38477	1.1
615.39294	0.4
773.30841	0.6
893.48694	1.0
911.50275	100.0
912.50696	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01766	0.4
68.99706	1.1
69.03355	1.2
71.01268	24.1
72.99201	2.8
73.02836	6.9
75.00761	13.9
78.38333	0.2
81.03331	0.2
83.01275	2.7
84.02065	0.2
85.02841	30.0
85.99998	1.6
86.03158	0.5
87.00229	0.5
87.00768	8.7
87.04408	3.0
89.02335	4.0
95.01289	3.7
96.95901	0.4
97.02835	0.5
99.00777	13.3
99.04460	0.4
101.02345	3.7
103.03900	1.3
109.02850	0.4
111.00804	0.4
112.01566	1.6
113.02357	20.5
114.02682	0.6
115.00266	0.5
115.03925	3.2
119.03420	0.5
122.10685	0.2
125.02369	0.9
127.03910	0.5
129.01904	0.3
131.03426	7.1
135.04376	0.3
139.00288	1.2
143.03433	5.4
145.04985	1.1
157.01392	1.4
163.06119	1.3
205.07152	3.1
206.07483	0.2
229.85498	0.2
391.30029	0.2
407.33636	0.4
437.34384	0.9
457.37033	1.5
464.37076	0.2
501.35876	0.7
571.39050	0.2
615.38422	0.3
792.85016	0.2
893.49188	0.7
911.50293	100.0
912.50604	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	911.503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01769	0.4
68.99702	1.7
69.03342	1.2
69.54158	0.9
70.61272	0.1
71.01266	30.3
71.04887	0.2
72.01600	0.3
72.99197	2.6
73.02834	9.1
75.00761	14.5
81.03345	0.2
83.01273	4.2
84.02072	0.3
85.02840	23.9
85.99987	2.0
86.03171	0.2
87.00769	8.4
87.04406	2.9
89.02333	3.6
95.01279	2.6
95.01837	0.2
96.95909	0.2
97.02859	0.6
99.00777	14.3
99.04408	0.5
101.02346	3.6
103.03911	1.8
109.02908	0.2
111.00755	0.7
112.01587	0.5
113.02354	11.3
115.00276	0.6
115.03915	4.0
119.03421	0.6
125.02337	0.7
127.03951	0.2
129.01807	0.3
131.03421	7.7
132.03714	0.2
139.00285	0.5
143.03421	5.9
144.03725	0.1
145.04985	1.1
148.06087	0.1
152.00941	0.1
154.23578	0.1
157.01367	1.3
161.04520	0.2
162.95399	0.1
163.06064	1.3
189.04129	0.1
205.07146	3.4
247.08130	0.2
283.74945	0.1
315.04996	0.7
389.28616	0.2
439.32196	0.2
455.35370	3.2
456.35992	0.4
457.36926	2.3
458.37579	0.2
525.39612	2.1
526.39825	0.2
527.37347	0.1
569.38666	0.2
571.40247	2.8
572.40222	0.3
589.41394	0.2
615.39142	0.4
836.11871	0.1
893.48999	1.1
894.49139	0.1
911.50238	100.0
912.50598	20.6
944.10577	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	909.5237
Annotation	Cephalostatin 1
Peak:m/z	Relative Intensity
67.01773	0.5
68.99703	2.0
69.03336	1.0
70.79214	1.0
71.01267	23.3
72.10079	0.4
72.99194	2.7
73.02838	8.6
75.00763	12.9
81.03340	1.5
83.01279	3.1
83.04904	0.9
85.02845	17.4
85.99989	1.4
87.00774	7.8
87.04400	2.7
89.02325	1.9
95.01287	4.1
96.95872	0.5
97.02873	0.7
98.02508	0.3
99.00783	11.2
99.04390	1.5
100.01141	0.4
103.03922	2.0
109.02850	1.2
111.00801	0.6
113.02360	6.3
115.03905	2.5
116.92745	0.5
125.02338	0.7
127.03936	1.7
129.01810	0.4
131.03433	5.0
139.00252	0.8
140.40163	0.3
143.03444	4.0
145.04982	1.3
157.01398	0.6
163.06067	0.8
205.07155	2.3
327.24765	0.4
421.31241	0.5
423.32632	0.4
439.35861	6.0
440.36334	0.8
441.37509	0.4
485.36292	0.6
509.40405	2.1
553.39075	0.4
804.73450	0.4
891.51276	2.0
909.52374	100.0
910.52710	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01791	0.5
68.99706	1.4
69.03334	1.5
71.01269	31.5
71.56238	0.9
72.99197	3.1
73.02836	8.7
75.00759	14.8
81.03349	0.6
83.01281	5.2
85.02841	23.3
85.99978	1.6
87.00768	9.3
87.04388	2.4
88.98685	2.5
89.02332	5.0
95.01284	2.9
96.95893	2.2
97.02857	0.7
99.00782	15.6
99.04421	1.9
103.03886	1.3
107.04909	0.5
108.02066	0.8
109.02835	0.6
111.00751	0.9
112.01584	0.6
113.02354	11.3
115.00267	0.6
115.03931	2.3
116.92766	0.6
117.03343	0.6
119.03442	0.8
119.04979	0.7
121.02820	0.6
123.04395	0.5
125.02346	3.3
131.03429	6.5
135.04474	1.1
137.02408	0.8
139.00273	0.7
143.03450	6.0
143.04462	0.9
145.04967	0.8
149.02457	0.6
150.03139	0.8
151.00288	2.0
152.01048	0.8
157.01329	1.1
161.02408	0.7
163.06090	0.8
165.05513	0.6
167.03554	0.4
175.02437	0.9
175.03902	0.6
188.07388	0.5
205.05489	0.4
205.07132	2.7
241.05106	0.6
253.05196	0.6
271.94202	0.5
358.83966	0.5
407.29364	0.5
409.31058	0.7
425.08960	1.1
453.33923	3.0
455.35223	1.4
464.71481	0.5
476.30609	0.4
523.37939	1.1
539.36865	0.6
545.13129	1.6
766.00787	0.5
848.49927	0.6
871.79169	0.6
891.47498	0.9
909.48804	100.0
910.49286	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	909.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.9
68.99709	2.1
69.03336	1.3
71.01270	37.6
71.11758	0.5
71.12089	0.5
72.01624	0.5
72.99206	2.3
73.02835	10.6
75.00764	15.1
75.72128	0.4
83.01275	4.6
85.02843	28.5
86.00000	2.0
86.03192	0.8
87.00773	8.5
87.04005	0.4
87.04411	4.6
89.01893	0.4
89.02341	4.3
89.92419	0.4
95.01279	3.9
97.02840	1.0
99.00779	16.6
99.04453	0.5
103.03909	1.8
106.88271	0.5
111.00780	0.6
112.01588	0.6
113.02355	12.9
115.00301	0.5
115.03924	3.8
119.03338	0.4
125.02390	0.6
131.02461	0.6
131.03421	9.0
139.00302	0.8
143.03427	7.0
145.04982	0.9
157.01364	1.3
163.06070	1.1
205.07158	3.4
232.96538	0.4
322.76422	0.5
453.33838	3.8
454.34122	0.7
455.35693	0.5
523.37891	2.0
891.47595	1.1
909.48700	100.0
910.49036	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	0.5
67.01797	0.6
68.99698	1.6
69.03329	1.4
69.11385	0.5
71.01271	29.9
72.99198	3.1
73.02837	7.7
75.00762	13.2
76.09064	0.5
80.25881	0.5
83.01263	3.3
85.02839	21.0
85.99979	2.0
86.03170	0.6
87.00777	8.6
87.04414	2.3
88.98713	0.7
89.02327	3.4
93.03371	1.3
95.01276	3.3
96.95927	2.5
97.02844	0.9
98.83098	0.6
99.00776	12.6
99.04407	1.0
103.03931	1.4
108.02068	1.8
109.02853	1.6
111.00773	0.9
113.02355	11.2
115.00243	0.9
115.03909	2.1
117.71751	0.6
119.03453	0.7
119.04924	0.8
121.02829	0.8
123.04443	0.6
125.02345	2.6
131.03415	7.6
135.04459	0.8
137.02335	1.5
139.00317	0.5
143.03448	5.3
145.05019	1.0
151.00298	1.2
152.01076	1.2
153.01799	0.8
157.01387	0.9
161.04446	1.1
165.05550	0.7
193.05095	0.6
199.55704	0.5
205.07216	3.4
269.04630	0.8
315.07336	0.8
355.26300	1.0
425.34201	1.0
453.33765	2.0
523.37982	1.0
539.37115	1.4
891.47345	1.1
898.60223	0.6
909.48749	100.0
910.31091	1.2
910.49060	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	909.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01770	0.4
68.99702	2.1
69.03336	1.3
71.01269	32.6
72.01590	0.4
72.99194	3.1
73.02840	9.8
75.00761	14.0
81.03382	0.4
83.01275	4.4
85.02842	26.1
85.99979	1.9
86.03159	0.5
87.00776	9.5
87.04409	2.7
88.98685	0.4
89.02342	5.4
93.03381	1.2
95.01295	3.9
96.72391	0.4
96.95914	1.8
97.02849	0.6
98.20626	0.7
99.00783	16.3
99.04424	0.5
101.39663	0.4
103.03900	1.5
106.41436	0.4
109.02853	0.8
111.00777	0.5
112.01557	0.7
113.02360	12.4
115.00270	0.7
115.03896	3.5
119.03419	1.0
119.04920	0.6
121.02875	0.4
125.02391	2.3
131.03416	8.1
133.09822	0.4
135.04431	0.6
137.02385	2.2
137.09724	0.5
143.03464	5.0
145.04967	0.8
149.02353	0.5
149.05939	0.5
150.02951	0.4
151.00307	0.6
152.01115	0.6
157.01363	0.9
161.02385	0.5
161.04482	1.1
162.03238	0.4
163.06065	1.4
165.05487	1.0
177.01945	0.7
205.07120	2.8
229.72658	0.5
243.33929	0.4
269.04498	0.6
379.12299	0.4
409.12466	0.6
453.33823	2.5
454.34137	0.7
455.35507	0.5
523.37817	1.2
697.07031	0.4
891.47174	1.0
909.48798	100.0
910.49139	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.3
68.99702	2.6
69.03339	2.5
71.01267	24.2
72.01586	0.4
72.99187	2.9
73.02837	1.7
75.00760	13.5
81.03331	0.2
83.01269	3.0
85.02840	9.1
85.99978	0.2
87.00774	2.6
87.12706	0.2
89.02334	8.1
95.01283	4.1
96.95921	0.4
97.02851	4.3
99.00774	12.4
99.04376	0.2
101.02345	10.4
111.00773	0.6
112.01581	0.3
113.02355	7.9
115.00275	0.3
116.92741	0.3
119.02637	0.3
119.03390	1.8
125.01464	0.4
125.02354	6.0
129.01903	0.4
131.03418	0.4
139.00301	0.9
142.02637	0.2
143.03398	0.5
157.01332	0.9
159.18956	0.2
161.04495	0.9
395.40735	0.2
465.37247	0.3
535.68506	0.2
565.39142	1.0
635.42938	0.5
707.41302	0.5
725.42633	0.4
786.70508	0.2
861.45007	0.6
905.49200	100.0
906.49536	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	907.472
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01772	0.6
68.99702	2.2
69.03338	1.3
69.89477	0.1
70.71866	0.3
71.01270	34.1
71.04905	0.2
72.01606	0.5
72.99200	2.8
73.02406	0.1
73.02836	10.0
75.00764	15.1
81.03355	0.4
83.01277	4.5
84.02052	0.5
85.02843	27.0
85.99986	1.5
86.03174	0.6
87.00771	9.0
87.04406	3.2
89.02339	4.2
95.01289	3.3
96.95892	0.1
97.02832	0.8
99.00780	16.7
99.04412	0.4
100.01142	0.2
101.02350	3.9
101.03018	0.2
102.02689	0.1
103.03914	1.6
109.02908	0.2
111.00787	0.7
112.01554	0.4
113.02360	12.1
114.02680	0.2
115.00277	0.5
115.03924	3.0
116.92739	0.2
119.03402	0.5
125.02385	0.6
125.17879	0.1
127.03905	0.3
129.01817	0.2
131.03429	7.5
132.03687	0.2
139.00293	0.6
143.03441	5.8
144.03816	0.2
145.04996	1.0
157.01390	1.1
160.76920	0.1
163.06114	1.1
189.03961	0.1
205.07176	2.7
247.08243	0.3
391.30130	0.1
435.29050	0.5
451.25766	0.2
451.32263	4.3
452.32635	0.6
497.32828	0.2
521.36475	1.7
522.36853	0.3
523.34174	0.2
565.35559	0.2
611.35913	0.4
761.41199	0.2
889.46643	1.1
890.45966	0.2
907.47144	100.0
908.47461	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86992	0.7
65.00208	0.7
69.03317	0.7
70.09702	3.0
71.01270	11.2
72.99194	1.2
73.02820	2.6
75.00746	1.3
81.03338	1.0
83.01256	3.3
85.02853	3.3
87.00769	1.2
88.98707	1.7
89.02342	4.3
93.03358	4.1
95.01272	1.8
95.04928	0.7
96.95904	3.0
97.57539	0.7
99.00771	2.4
100.20141	0.7
101.02351	5.7
107.01284	1.9
108.02061	4.5
109.02859	3.8
109.06471	0.7
110.98530	0.7
111.00845	0.7
113.02348	5.2
116.91955	0.7
116.92739	3.3
117.03377	12.3
119.03456	0.9
119.04907	2.4
121.02862	1.9
123.04409	1.5
125.02357	21.6
131.21838	0.7
133.02870	2.9
134.03625	1.5
135.04456	4.5
137.02390	3.3
137.06010	8.8
138.30469	0.6
141.12779	1.1
145.02853	1.2
146.43985	0.7
147.04443	0.8
149.02376	2.7
149.05995	1.0
150.03146	1.5
151.00285	3.6
151.03920	1.8
151.07585	1.2
152.01089	4.4
153.01845	2.7
159.04498	1.0
161.02370	7.2
161.04523	1.9
162.02827	0.6
163.03925	2.2
164.04689	1.2
165.01860	2.2
165.05525	10.3
171.04457	0.9
173.02399	6.2
173.03781	1.1
174.02933	0.7
175.00377	1.2
175.03966	3.0
177.01825	2.5
177.05486	1.3
179.03465	0.8
179.05551	1.2
179.07068	1.8
179.50729	0.7
185.02426	3.5
187.03926	1.9
189.01900	3.1
190.02669	1.2
193.01375	1.3
193.05081	1.2
195.06531	1.0
197.02429	1.5
199.03970	0.8
203.03400	1.7
205.05125	1.6
209.08173	0.8
215.03502	4.2
217.01430	3.0
223.06099	1.2
225.05586	1.0
227.03474	1.2
241.01468	2.1
245.04533	0.8
253.05020	1.5
263.07202	1.2
269.04605	14.8
270.04965	1.2
271.02521	2.3
271.06128	1.2
279.06628	1.0
283.06082	1.1
285.04120	1.7
285.11459	0.9
287.05789	4.0
287.22360	19.7
288.22763	1.0
293.04581	1.8
295.06119	1.0
299.05594	0.9
305.04672	6.6
306.05402	6.6
307.06204	9.3
311.05548	1.0
315.07169	2.9
323.05640	2.0
335.05695	40.5
336.06027	4.2
337.07227	2.2
338.04272	1.4
353.06265	0.8
353.10162	0.9
365.02579	0.6
365.06699	14.0
366.06900	1.1
377.06625	1.8
395.07697	1.1
407.07584	0.8
413.12515	1.5
425.08829	46.2
426.09167	4.7
455.09933	19.5
456.10114	1.9
483.23135	0.8
485.11063	3.4
495.33194	1.5
507.06506	0.8
517.09985	2.5
523.87866	0.7
545.13104	100.0
546.13580	11.0
610.78705	0.7
635.20239	0.9
657.38806	3.4
699.40009	5.0
833.36127	24.1
834.36304	4.2
861.34003	3.4
861.45898	4.3
905.34564	4.4
906.33966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73183	0.2
65.33333	0.2
69.45069	1.6
71.01273	1.4
73.02818	0.5
77.03851	1.2
79.01795	0.8
83.01257	0.4
85.02838	0.4
85.86830	0.2
87.00782	0.3
89.02327	0.5
90.94241	0.2
93.03367	1.5
95.01262	0.2
96.95898	0.7
99.02927	0.2
101.02347	0.8
105.03333	0.7
107.01299	0.4
113.02375	0.5
117.02580	0.4
117.03373	7.0
119.04948	0.6
121.02888	1.6
123.04365	0.3
125.02345	0.7
135.04442	1.5
137.02367	0.3
145.02892	0.4
147.04442	0.5
149.02377	2.6
151.00264	0.4
159.04449	1.8
161.02379	3.6
161.04482	0.5
163.00285	0.6
163.03970	3.0
164.04683	0.6
165.01862	0.7
169.06378	0.2
173.02425	0.4
175.04054	0.5
177.01897	0.3
179.03482	0.5
183.04469	0.3
189.12852	0.4
190.02760	0.3
191.03506	1.3
193.01349	0.4
195.08217	0.3
196.05338	0.3
197.04370	0.3
197.06049	0.9
199.04243	0.3
203.03448	0.7
207.13930	0.4
208.03952	0.3
211.07719	0.5
215.07019	0.6
221.06693	0.3
223.06117	0.6
224.04770	0.5
225.05539	0.4
237.05540	0.2
239.07219	1.5
241.05046	0.3
255.06587	0.3
268.03806	2.0
269.04626	1.9
281.04648	2.7
282.05383	1.4
283.06177	41.0
284.06525	3.0
293.04526	1.8
295.06204	1.3
309.04169	0.6
311.05673	72.3
312.06003	4.7
314.04291	0.6
323.05640	2.3
324.05762	0.3
330.64383	0.2
341.06732	7.0
342.07059	0.7
350.79742	0.2
353.06805	0.3
387.20447	0.5
390.79578	0.2
391.39731	0.2
429.21277	1.3
431.09906	100.0
432.10248	7.5
433.10474	0.3
473.16702	0.3
620.14581	0.2
710.38391	0.3
734.76160	0.3
909.73859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98406	50.2
64.45100	33.1
70.46955	81.0
70.47359	70.3
71.01281	29.6
78.95787	57.2
114.21593	35.7
125.11069	32.1
127.01965	29.2
151.00296	95.1
161.49414	35.2
183.13338	32.3
225.15308	28.8
340.13135	32.0
590.81488	45.6
839.38464	100.0
902.48358	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	0.5
65.52272	0.4
68.90146	0.5
69.03321	0.8
69.30088	1.4
69.30500	3.7
71.01269	32.8
71.03461	0.4
72.01589	0.4
72.99195	3.0
73.02828	4.8
75.00780	0.9
78.95778	0.5
81.03365	0.7
83.01276	6.0
85.02850	9.5
87.00761	2.1
88.98692	0.8
89.02340	25.5
93.03354	1.1
95.01289	3.0
96.95893	2.7
97.02848	1.6
99.00790	2.7
101.02347	20.6
101.81976	0.5
102.02698	0.7
107.01299	0.6
108.02075	1.3
109.02857	1.8
111.00818	0.5
112.01548	1.1
113.02357	15.6
114.02700	0.6
115.00312	0.6
119.03424	8.0
119.04884	0.8
121.02858	1.1
123.00821	0.6
123.04389	1.0
125.02370	12.9
131.03369	0.6
133.01387	0.5
133.02902	1.6
135.04474	1.5
137.02377	2.5
141.01884	0.5
143.03432	2.2
149.02426	1.1
149.04453	1.1
149.11757	0.5
151.00322	2.2
151.03937	1.0
152.01099	2.0
153.01813	0.9
159.02940	1.3
161.02400	3.4
161.04498	5.7
163.03923	0.8
163.11314	0.7
164.04692	1.0
165.01796	0.6
165.05522	0.5
167.03453	2.0
169.01324	0.7
173.09676	1.1
174.01691	0.5
175.02452	0.5
175.04004	1.1
177.01874	1.2
178.02513	0.5
179.03456	1.1
179.05679	2.7
179.06970	0.6
181.04915	0.6
189.12828	12.2
193.01401	0.6
195.06503	0.7
201.02019	0.5
205.12341	0.7
207.13852	2.9
209.08086	0.7
214.02644	0.6
217.05031	1.6
223.06155	1.2
232.03879	0.7
253.05193	0.8
265.09485	0.6
267.07101	0.5
269.04697	1.4
271.06320	0.7
285.04120	10.9
286.04440	1.0
287.05746	2.8
300.02823	3.3
300.05759	0.6
301.03244	1.0
315.04822	6.3
316.05441	1.1
329.06741	0.6
335.05505	0.9
339.07394	0.5
387.20328	18.9
388.20670	1.7
429.21454	1.4
431.19272	0.8
447.09775	0.8
449.10706	0.7
453.17648	0.8
455.19327	100.0
456.19659	9.8
497.20313	0.8
517.09894	2.5
545.13129	0.8
550.24744	0.5
697.37433	0.6
706.92816	0.6
843.40308	11.1
843.55115	1.0
844.40778	2.8
903.32532	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	901.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	0.4
69.03332	1.2
71.01270	11.4
71.04925	2.0
71.58411	0.6
72.99187	0.8
73.02837	1.7
75.00746	0.4
81.03357	0.6
83.01299	0.9
83.04886	1.0
85.02839	2.6
87.00774	2.5
89.01830	0.6
89.02335	8.1
94.25249	0.4
95.01293	0.9
95.04891	0.7
97.02845	4.5
97.06490	2.2
99.00784	16.8
101.02347	7.1
106.23486	0.4
109.02861	0.4
109.06473	1.2
113.02356	3.5
119.03401	1.3
123.08051	1.7
125.02381	1.8
125.09650	5.9
127.03906	0.4
130.58029	0.4
131.03395	0.6
135.08083	0.7
136.05182	0.5
142.02652	1.2
143.03391	0.7
145.10132	0.6
153.12823	0.5
155.14436	0.6
161.04491	1.3
163.11238	8.1
171.10223	2.7
179.05583	1.1
181.12309	15.9
182.12566	0.7
197.11772	1.2
199.13373	11.1
201.11319	0.8
207.10254	29.2
208.10518	1.1
221.06602	4.3
223.13310	0.6
225.11327	43.1
226.11728	2.2
235.08234	0.7
243.12418	23.7
244.12788	1.0
277.21774	11.7
278.22116	0.7
295.15570	0.4
379.12576	0.5
392.61795	0.4
397.13495	2.7
415.14694	1.0
461.20465	0.6
469.21173	0.4
590.22577	0.4
623.25574	1.3
635.68744	0.4
641.26776	2.6
883.46405	1.0
901.48224	100.0
902.48499	23.1
912.25134	0.5
933.50543	0.4
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
68.99751	0.3
69.03345	1.4
69.28588	2.8
71.01269	11.4
71.04914	2.9
72.99189	1.3
73.02834	1.6
80.02562	0.4
81.03349	0.8
83.01270	1.3
83.04899	0.8
85.02851	3.4
87.00784	2.5
89.02340	6.5
95.01292	0.8
95.04939	0.7
97.02850	4.2
97.06495	3.2
99.00783	16.0
99.04353	0.3
101.02350	6.8
102.81252	0.3
106.04198	0.5
109.02907	0.3
109.06497	1.1
110.03662	0.9
111.00848	0.3
111.04425	0.6
113.02343	3.4
119.03448	1.5
123.08057	2.2
123.08646	0.2
125.02373	2.2
125.09648	7.9
127.11237	0.4
135.08049	0.5
136.05286	0.7
139.03960	0.4
142.02644	1.0
143.03442	0.6
145.10153	0.3
147.67923	0.3
150.05536	0.3
153.12776	0.9
161.04474	1.1
161.09729	0.4
163.11241	10.5
164.11546	0.4
171.10175	1.5
179.05588	0.4
179.10828	0.4
181.12308	14.2
182.12640	0.8
188.32506	0.3
197.11740	0.9
199.13376	6.4
207.10257	22.9
208.10614	1.5
221.06648	0.7
225.11331	26.3
226.11658	1.2
233.22806	0.3
235.08157	1.1
243.12405	12.5
244.12798	0.5
253.09482	0.4
277.21786	22.9
278.22025	1.8
304.23245	0.3
379.12616	0.4
387.16412	0.6
393.79568	0.3
397.13632	2.4
415.14719	0.5
623.25458	1.0
641.26819	1.1
660.03540	0.3
721.40924	0.4
864.40173	0.3
883.45538	0.4
901.48212	100.0
902.48511	26.1
902.74585	0.4
903.35986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57325	0.6
64.52933	0.5
67.76691	0.5
69.03344	3.3
69.62771	4.3
71.01266	14.1
71.04893	1.3
72.99184	1.4
73.02829	2.5
81.03381	1.0
82.97784	0.6
83.01263	1.8
85.02842	2.5
87.00762	3.6
89.02338	7.5
95.01283	1.5
96.95919	0.9
97.02845	2.4
99.00766	0.7
101.02348	8.3
109.02861	0.7
113.02371	4.0
115.00252	0.6
119.03420	1.7
122.90837	0.5
123.08083	1.5
125.02323	1.7
125.09636	1.8
136.30298	0.5
143.03397	0.8
151.11192	1.9
153.12827	1.4
161.04401	1.2
161.09650	2.2
169.12480	0.6
175.02449	1.7
179.10732	3.9
197.11812	56.8
198.12102	2.3
211.13370	0.8
219.99413	0.7
221.06578	2.2
223.09679	1.7
235.08235	0.7
239.10568	0.7
241.10855	3.8
277.21780	17.6
278.22089	1.5
309.20978	0.9
397.13699	1.8
421.16205	0.6
435.78360	0.6
595.79681	0.6
639.25677	0.8
711.03552	0.6
863.75665	0.7
894.28857	0.9
899.46637	100.0
900.29303	0.9
900.47089	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03340	3.4
71.01270	25.7
71.51722	0.8
72.84584	0.9
72.99205	1.9
73.02835	12.8
75.00776	1.4
81.03342	1.9
83.01277	41.2
85.02843	16.1
87.00778	3.3
88.98707	1.2
89.02341	4.6
93.03369	2.8
95.01302	4.4
95.55936	1.0
96.95918	4.4
97.02853	6.6
99.00794	7.5
99.04414	11.3
101.02348	29.7
107.04942	1.4
108.02082	2.6
109.02869	3.2
111.00802	1.7
111.04426	1.3
112.01649	1.4
113.02357	20.7
119.04963	2.8
121.02869	2.5
123.04458	1.6
125.02370	38.1
131.03409	1.4
135.04469	3.0
135.77916	1.1
137.02377	3.7
139.00291	1.2
143.03410	5.2
149.02396	2.3
150.03188	2.5
151.00256	1.6
151.03963	2.7
152.01093	2.2
153.05498	1.1
155.03397	1.8
159.02992	1.7
161.02406	1.5
161.04497	15.8
163.03912	1.5
164.04756	1.4
165.05466	1.4
167.03419	4.1
173.04498	1.4
175.03932	1.4
177.05605	1.1
179.03488	1.8
181.04988	1.7
191.05481	1.0
194.05797	1.9
195.06606	1.8
203.07146	1.3
209.08234	3.9
245.06683	26.3
251.09155	1.2
251.11491	1.6
269.10382	13.6
284.03326	2.4
285.04254	1.2
299.05655	3.5
311.11389	1.6
319.10342	1.0
329.09113	1.1
371.09976	13.1
383.13599	20.7
384.13727	2.5
401.14630	12.0
425.09357	1.3
425.14587	28.9
426.15009	2.1
431.11908	5.9
443.15652	100.0
444.16058	8.5
485.16907	3.4
527.18207	1.6
545.12714	2.1
563.13885	1.9
583.21997	1.6
901.30823	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	899.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	4.3
70.30904	1.0
71.00899	1.0
71.01270	14.1
71.04911	1.2
72.99197	1.7
73.02832	1.3
75.00736	0.5
78.95773	0.4
83.01273	1.4
85.02831	2.4
87.00774	2.5
89.02340	8.3
95.01285	1.2
97.02849	1.5
97.06467	1.2
99.00775	1.1
101.02340	7.9
102.38236	0.5
109.02919	0.6
111.00875	0.6
113.02356	3.7
119.03410	1.9
123.08038	1.0
125.02364	2.0
125.09628	1.9
143.03391	0.6
149.09613	0.5
151.11227	2.6
153.12761	0.9
161.04533	1.4
161.09660	4.0
165.20367	0.5
179.05641	1.0
179.10713	5.4
197.11807	36.1
198.12102	1.0
211.13339	0.8
221.06673	0.9
223.09767	1.0
235.08255	0.7
241.10878	2.0
241.14406	0.6
272.09018	1.1
277.21790	34.8
278.22104	3.1
397.13632	1.5
483.15012	0.6
899.46661	100.0
900.47052	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	897.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91696	3.3
64.06783	3.7
69.86478	3.0
70.74308	3.4
71.01274	46.0
71.58381	7.3
72.99205	3.6
73.02830	9.4
83.01269	8.6
85.02829	12.0
87.00767	9.0
89.02340	29.3
95.01304	3.7
96.95911	8.1
97.02928	4.9
99.58710	3.5
101.02354	32.4
109.02874	4.9
113.02346	16.8
116.92779	7.0
119.03410	5.6
125.02335	11.6
131.03465	5.7
135.04437	4.8
143.03404	7.6
161.04547	8.8
179.05551	4.8
182.77188	3.4
235.08257	4.9
252.05003	3.6
253.02779	3.4
277.21808	23.7
397.13461	21.7
415.14435	4.0
516.43201	3.6
559.18829	100.0
560.19141	9.4
577.19867	27.6
578.20197	4.4
628.18274	4.0
639.62683	3.5
649.27765	4.7
837.41388	13.6
897.50934	10.6
930.74792	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	897.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	1.5
71.01267	42.0
71.57397	0.4
72.01591	1.0
72.99175	1.8
73.02835	10.8
75.00754	1.4
81.03354	0.9
83.01281	9.1
84.23564	0.4
85.02843	22.2
86.03136	0.5
87.00764	3.2
88.98685	1.3
89.02339	7.2
93.03339	1.2
95.01287	4.6
96.95927	2.5
97.02831	2.7
99.00788	6.6
101.02344	25.6
102.02683	0.5
107.01284	0.8
108.02098	1.2
109.02852	1.8
111.00775	1.1
112.01542	0.7
113.02356	18.4
114.02661	0.6
119.03403	2.0
119.04931	0.9
121.02862	1.3
123.04452	0.6
125.02363	5.7
126.85357	0.5
129.01799	0.6
131.03426	0.8
133.02849	0.4
134.03604	0.8
135.04416	1.9
136.01524	0.4
136.30600	0.5
137.02377	1.9
143.03447	2.5
145.02821	0.6
149.02333	0.7
149.06078	0.5
150.03104	0.7
151.00273	1.2
151.03932	0.7
152.01074	1.4
153.01889	1.2
159.02908	2.1
161.02371	0.8
161.04491	7.4
163.03911	1.4
164.04774	0.6
165.01891	0.5
165.05470	0.9
167.03441	0.9
175.03889	0.6
178.06317	1.4
179.05586	0.5
181.05077	0.7
190.02649	0.6
193.08499	0.9
195.06622	0.7
205.05089	0.8
221.06638	0.9
253.05035	0.7
262.23837	0.5
269.04575	1.3
271.06097	0.8
287.05405	0.5
309.04092	0.7
312.06433	0.8
313.07309	0.5
315.07611	0.5
327.21741	0.6
331.10452	1.1
367.12000	0.8
381.09677	0.5
383.11594	0.6
391.30194	1.4
423.32742	2.2
453.16010	0.6
455.19485	1.1
457.33328	0.7
471.34796	3.1
569.38654	0.6
587.40161	0.8
633.40247	1.5
634.41229	0.5
649.39673	0.9
675.41913	2.3
691.40540	5.0
735.21661	0.6
749.45074	1.1
777.44489	1.5
791.45703	2.0
793.43903	1.0
795.45782	4.6
796.45703	0.6
811.44806	7.0
812.45972	0.8
837.46820	9.8
838.46588	1.5
853.46063	100.0
854.46405	23.1
897.30017	1.8
897.48047	0.7
898.27386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12854	1.0
69.67007	4.3
69.67414	2.0
71.01279	9.5
72.99190	1.9
73.02836	2.9
75.00748	2.6
83.01274	2.5
85.02824	3.8
87.00743	1.5
88.09982	1.0
88.98681	1.3
89.02347	2.1
93.03311	2.2
95.01242	1.2
96.95918	6.2
97.02844	1.1
98.19849	1.8
99.00782	2.2
101.02354	4.7
108.02036	1.4
109.02845	1.9
113.02345	6.0
116.92717	1.3
119.01269	2.4
119.03407	1.4
119.04951	1.8
121.02852	3.6
125.02332	4.1
133.02803	2.0
135.04424	4.3
137.02325	2.4
143.03410	1.3
147.00700	1.4
148.01587	2.4
149.02391	6.3
150.03133	3.3
151.00281	2.3
151.03926	2.1
152.01103	1.1
153.01961	1.3
161.02350	2.0
161.04485	2.0
163.03873	3.3
164.04657	3.0
165.05429	1.7
166.02618	1.4
166.31126	1.0
172.17371	1.1
173.02371	1.1
175.00322	5.3
176.00998	3.6
177.01793	1.7
179.05595	1.0
179.07143	1.1
180.32846	1.0
181.05017	1.0
190.01031	1.1
190.02689	18.7
191.03453	6.3
195.06516	1.5
205.05061	18.4
209.04483	2.5
213.01912	1.7
213.05328	1.1
217.01086	1.1
223.06012	3.2
229.08743	1.0
231.06531	1.6
253.04990	1.1
265.05252	1.2
269.04593	2.3
271.05988	2.2
283.06079	1.2
293.04453	2.0
307.06058	2.6
309.04150	1.4
311.05829	1.3
323.05542	2.9
335.05399	3.1
335.09149	2.3
336.10098	1.7
337.07172	1.4
337.10703	5.2
349.10785	2.2
351.12436	2.3
352.09738	1.4
361.11063	1.4
363.08554	1.5
365.10419	6.6
366.11041	3.1
367.11176	2.4
377.10400	6.0
378.10843	3.2
379.12015	8.4
380.12518	2.2
391.11597	2.4
393.09500	5.1
394.10492	1.5
395.11450	18.2
396.11703	1.8
405.09589	1.5
406.10376	3.4
407.11530	6.4
408.12158	5.7
409.13013	9.7
410.13397	1.8
419.11493	3.5
420.12347	1.4
421.12796	4.5
423.10965	21.0
424.11600	5.1
435.10944	1.3
437.12430	16.9
438.13281	11.3
439.13977	7.3
735.22992	1.6
777.24188	12.9
778.23059	1.5
789.24030	2.8
807.25250	100.0
808.25372	18.1
819.24878	2.0
821.26898	2.4
837.26221	7.8
838.25787	2.1
861.26031	4.5
862.25940	1.2
879.27368	10.0
897.28235	33.6
897.47827	3.8
898.28894	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	897.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00210	0.5
67.01777	0.5
68.99706	0.6
71.01271	4.7
71.59883	0.7
72.99188	0.8
73.02823	1.6
75.00763	0.8
79.95653	0.5
80.96405	2.2
81.03344	0.4
83.01274	1.3
85.02839	2.3
87.00746	1.1
88.98689	0.8
89.02322	1.8
91.01819	0.6
93.03350	1.3
93.16141	0.4
94.97994	0.4
95.01252	0.7
96.95920	3.3
97.02839	0.5
99.00764	1.1
101.02380	2.2
107.01295	0.5
108.02055	1.3
109.02853	1.5
109.65104	0.4
111.04379	0.4
112.53252	0.4
113.02343	1.8
116.92710	0.6
117.03346	0.6
119.01301	1.8
119.04930	1.5
120.03889	0.4
121.02868	1.8
123.04387	0.5
124.45423	0.4
125.02355	3.3
126.02713	0.5
133.02946	0.9
134.03633	1.2
135.04414	2.0
137.02359	1.9
143.03340	0.5
145.02747	0.6
147.00800	1.3
147.04443	0.5
148.01588	1.2
149.02371	6.2
149.06052	0.7
150.03143	2.0
151.00319	2.2
151.03906	1.1
152.01027	2.1
153.01845	1.5
159.04445	0.6
161.02350	0.5
161.04419	0.8
163.03938	1.1
164.04732	5.5
165.01849	1.8
165.05455	1.2
167.03537	0.4
175.00310	11.6
175.02505	0.5
175.03905	1.1
176.01117	3.1
177.01845	1.3
179.03377	0.5
179.07124	0.7
181.05003	0.6
183.06587	0.5
189.01903	0.8
190.02682	33.7
191.03412	4.1
193.01340	0.5
193.04971	0.9
194.02075	0.7
200.27458	0.5
201.01906	0.8
201.05563	0.6
203.07069	0.5
205.05038	31.1
206.05414	1.9
208.03758	1.2
209.04488	1.2
223.06137	5.4
239.03308	0.5
253.05064	1.9
265.05127	0.5
268.03812	1.0
269.04663	1.5
271.06238	0.7
281.04773	2.2
281.07571	0.5
282.05322	0.7
293.04572	1.4
295.09857	0.9
297.04120	0.9
308.03107	0.7
308.06824	0.6
309.04138	4.0
311.05682	0.5
315.07309	1.1
321.04257	0.6
323.05615	2.2
323.09207	11.3
324.09842	1.4
335.05920	0.5
336.10080	1.1
337.10797	1.8
338.10950	0.6
351.08740	9.7
352.09561	25.8
353.09869	2.6
365.10355	6.6
366.11096	6.0
367.11935	19.7
368.12280	1.4
381.13690	0.7
394.10565	0.6
395.11481	0.5
426.09082	0.5
436.71085	0.5
529.17072	1.3
545.12927	1.1
557.37024	0.5
579.17169	1.3
693.25854	1.0
693.58997	0.5
735.23090	100.0
736.23425	16.3
737.69586	0.5
777.24121	0.6
837.46973	1.3
853.45673	0.7
896.50421	1.5
897.27570	1.9
897.40527	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	895.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.8
68.99700	1.7
69.03337	1.2
71.01268	30.5
71.04873	0.2
71.59442	0.5
72.01628	1.1
72.01977	0.2
72.99192	2.7
73.02834	8.2
75.00761	14.0
81.03358	0.3
83.01280	3.9
83.04893	0.2
84.01596	0.2
85.02842	21.3
85.48094	0.2
85.99990	1.7
86.03190	0.7
87.00776	7.0
87.03275	0.3
87.04404	2.4
88.01101	0.4
89.02339	3.5
92.54610	0.2
93.03337	0.2
95.01291	3.1
96.95909	0.9
97.02874	0.3
99.00778	12.1
99.04385	0.4
100.01090	0.8
101.02358	3.7
103.03933	1.2
109.02865	0.2
111.00764	0.5
112.01582	0.6
113.02356	10.2
114.02707	0.7
115.00280	0.5
115.03924	2.7
119.03388	0.5
125.02383	0.5
131.02469	0.4
131.03421	6.9
132.03732	0.4
137.02364	0.6
139.00272	0.6
143.03433	5.4
144.03769	0.4
145.04984	0.9
157.01364	0.8
161.04446	0.3
163.06073	1.1
205.07170	2.6
206.07526	0.3
211.13397	0.3
235.06075	0.2
395.11963	0.3
395.70340	0.3
437.34253	0.6
439.35709	2.2
440.36215	0.4
485.36234	0.4
509.39993	1.6
553.39087	0.3
599.39673	0.5
835.44495	0.3
877.50256	1.2
894.49933	3.7
895.50500	100.0
896.50970	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	895.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01774	0.4
68.99700	2.4
69.03348	1.3
69.72401	1.0
69.72814	0.9
71.01267	33.4
71.04929	0.3
72.01608	0.3
72.99197	2.7
73.02832	8.7
75.00763	15.7
81.03339	0.5
83.01276	5.0
83.02384	0.4
85.02840	25.3
85.99982	1.9
86.03172	0.4
87.00771	7.8
87.04394	2.8
88.98697	0.4
89.02338	4.0
93.03387	0.4
95.01268	3.2
96.95917	1.1
97.02840	0.9
99.00778	14.8
101.02351	4.7
103.03899	1.6
108.02061	0.4
109.02840	1.0
111.00791	0.7
112.01595	0.5
113.02361	10.7
115.00272	0.5
115.03915	3.5
117.03369	0.4
119.03417	0.6
119.04948	0.5
121.02846	0.6
125.02357	2.1
129.01866	0.6
130.57622	0.2
131.03433	7.6
132.03708	0.4
133.02921	0.4
135.04404	0.8
137.02347	0.8
139.00264	0.5
143.03445	6.1
145.02794	0.2
145.04945	0.8
146.03670	0.5
149.02354	0.6
150.03149	0.5
151.00296	0.8
151.03882	0.4
152.01140	0.4
153.01814	0.5
157.01312	1.1
161.04559	0.6
163.06050	1.1
163.38130	0.3
164.04739	0.4
165.05476	0.5
167.03395	0.4
173.06010	0.3
189.52153	0.3
190.02576	0.5
205.07140	2.6
223.05949	0.3
269.04730	0.4
271.06128	0.4
275.88962	0.3
285.04303	0.4
299.05518	0.3
311.68170	0.3
395.12112	0.4
423.32465	0.3
439.35843	2.9
440.11490	0.3
509.40189	1.7
562.71716	0.3
599.39563	0.5
689.90088	0.3
877.49475	1.1
895.50769	100.0
896.51111	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29676	0.4
67.01782	0.8
68.99711	2.0
69.03343	1.1
70.32393	1.1
71.01269	34.0
72.01616	0.5
72.99203	2.9
73.02835	11.0
75.00762	16.5
83.01272	4.5
85.02842	24.1
86.00008	2.0
87.00771	8.7
87.04411	2.9
89.02335	4.3
92.09846	0.4
95.01291	4.1
98.19874	0.6
99.00778	15.8
101.02355	4.0
103.03909	1.5
111.00790	0.7
113.02364	10.9
115.03924	4.1
120.42915	0.4
131.03424	7.2
143.03423	6.2
145.05005	1.1
157.01341	1.2
163.06024	1.1
185.05789	0.5
195.16931	0.4
205.07159	2.8
210.04280	0.4
231.25873	0.4
291.06839	0.4
301.33905	0.4
423.32901	0.6
439.35974	3.5
440.15497	0.4
505.12375	0.4
509.40213	2.1
603.57733	0.4
612.37469	0.6
877.49426	0.6
895.50775	100.0
896.51154	18.2
896.64459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56609	0.2
67.01775	0.6
68.65107	0.3
68.99709	1.7
69.03323	1.2
71.01272	30.4
71.04912	0.3
71.13680	0.5
72.01626	0.3
72.99214	1.9
73.02839	9.1
75.00767	13.8
83.01285	3.8
85.02847	23.3
85.99991	1.5
86.03217	0.3
87.00773	7.8
87.04411	3.0
88.98712	0.2
89.02332	4.0
93.03378	0.5
95.01284	2.4
96.95893	0.7
97.02873	0.3
99.00782	13.3
99.04412	0.4
101.02351	3.8
103.03898	1.2
111.00778	0.4
112.01592	0.6
113.02357	10.8
114.02699	0.3
115.00326	0.3
115.03922	3.2
119.03390	0.4
131.03427	7.0
137.02386	0.7
137.09637	0.3
139.00290	0.5
143.03430	5.5
145.04976	0.9
157.01369	0.9
163.06055	1.0
196.72443	0.3
205.07170	2.7
207.52151	0.2
212.63245	0.3
286.06137	0.3
369.28036	0.3
416.94669	0.3
421.31088	0.3
437.34433	2.3
438.34744	0.4
507.38641	1.8
568.97272	0.3
597.37762	0.7
875.49432	1.2
893.49255	100.0
894.49622	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	893.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01769	0.6
68.99706	2.3
69.03340	1.3
69.68945	0.9
71.01269	34.3
72.01598	0.5
72.99197	3.0
73.02835	10.5
75.00763	16.1
81.03367	0.3
83.01276	4.7
84.02079	0.4
85.02843	27.0
85.99988	1.9
86.03175	0.5
87.00771	8.4
87.04411	3.0
89.02333	4.0
92.33724	0.2
95.01284	3.7
95.01901	0.2
96.95920	0.4
97.02852	0.7
97.06487	0.3
98.19876	0.2
99.00780	16.0
99.04437	0.5
100.01129	0.3
101.02343	3.9
102.02670	0.2
103.03914	1.5
109.02802	0.2
111.00783	0.6
112.01579	0.7
113.02357	13.0
114.02622	0.2
115.00301	0.4
115.03922	2.9
119.03383	0.7
125.02359	0.6
127.03996	0.1
129.01833	0.2
131.03426	8.0
132.03711	0.2
137.09636	0.2
139.00308	0.4
143.03435	6.1
145.04987	1.0
157.01363	1.2
163.06032	1.2
189.04109	0.2
205.07172	3.0
247.08287	0.2
317.55042	0.2
345.26810	0.2
405.27957	0.6
421.31146	0.9
423.32718	0.3
437.34308	4.6
438.34610	0.7
439.35934	0.6
483.35291	0.2
507.38501	1.4
508.39224	0.3
535.38416	0.2
551.37219	0.2
553.39423	0.3
560.32904	0.2
593.60840	0.1
597.38281	0.4
710.74689	0.2
747.43646	0.2
820.19232	0.2
875.47986	0.9
893.49219	100.0
894.49548	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89296	0.3
65.27034	0.3
68.99675	0.3
69.03374	0.3
69.56556	1.8
71.01260	3.0
72.99212	0.5
73.02845	0.9
73.98335	0.2
75.00762	0.3
78.95831	0.3
81.03355	1.9
83.01279	8.2
85.02850	1.3
87.00768	1.4
88.98737	0.5
89.02354	1.0
93.03346	0.4
95.01295	0.6
96.95923	1.5
97.02860	1.1
99.00727	0.6
99.04430	0.4
101.02369	1.9
108.02110	2.4
109.02878	1.2
111.61916	0.4
113.02332	1.6
116.92774	0.8
119.04939	0.8
120.02158	0.3
121.02858	0.8
123.00709	0.3
123.04450	0.5
124.01592	1.1
125.02367	100.0
126.02711	2.7
133.02914	0.4
135.04422	0.7
137.02373	1.6
143.03423	0.3
148.01631	1.7
149.02374	1.5
149.06032	0.4
150.03146	0.5
151.00294	1.2
151.03885	0.6
152.01099	3.3
153.01859	0.6
159.04459	0.3
160.01640	0.5
160.04060	0.3
161.02406	0.7
161.04526	0.6
163.00392	0.8
163.03940	0.6
165.01901	0.7
165.05525	0.4
166.02693	0.6
166.05020	0.3
167.03445	1.2
168.38373	0.3
171.04584	0.4
171.41167	0.3
175.02467	0.4
175.03934	0.5
176.01106	12.2
177.01869	2.2
179.03366	0.5
180.04237	0.3
181.04984	0.7
190.02693	0.6
191.03468	15.2
192.03819	0.6
193.04933	0.3
195.06508	0.5
203.03552	0.4
205.05148	0.6
209.07965	0.4
223.06047	0.4
225.07657	0.3
240.04332	0.3
241.04988	0.4
245.06718	2.2
255.06566	0.6
257.04428	0.4
269.04617	0.7
271.06076	0.5
283.06213	1.6
285.03903	0.8
299.05792	0.6
301.03546	1.6
301.06790	0.5
302.04092	0.4
315.08765	0.6
316.08932	0.4
317.06659	1.1
335.05670	0.4
371.10013	0.8
429.10336	0.9
479.12076	4.7
480.12320	0.6
521.13123	3.4
563.14130	1.8
756.23322	0.4
767.19666	1.8
768.20947	0.4
861.24017	0.5
893.23651	11.5
893.49878	0.4
894.24188	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	891.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98715	2.4
65.03850	1.0
67.01774	0.4
69.03345	0.5
70.45039	0.2
70.67467	0.3
70.67831	0.4
71.01272	4.3
72.42432	0.2
72.99194	0.5
73.02839	0.8
76.94820	0.2
81.03358	0.9
83.01277	9.5
83.01784	0.5
84.01664	0.2
85.02852	2.3
87.00784	0.5
88.98697	0.5
89.02326	1.0
91.05429	4.5
93.03364	2.3
95.01297	0.8
96.94456	0.2
96.95915	1.7
97.02856	1.3
99.00792	0.9
99.04437	0.5
100.72641	0.2
101.02340	5.3
107.01331	0.4
107.04952	0.4
108.02075	2.2
109.02861	22.0
109.23103	0.2
110.03165	0.3
113.02354	2.8
115.00291	0.3
116.92759	0.4
117.03362	0.3
119.03443	0.5
119.04945	0.8
121.02871	9.9
122.03769	1.1
123.00826	0.3
123.04429	1.2
125.02367	10.6
126.02776	0.3
133.02899	1.0
134.03674	0.9
135.04445	60.5
136.01601	0.4
136.04730	2.0
137.02368	1.8
139.03935	0.4
142.00816	0.2
143.03474	0.7
147.04463	5.3
148.05243	4.2
149.02361	1.0
149.04332	0.2
149.05965	0.3
150.03212	0.3
151.00294	0.9
151.03923	0.5
152.01134	1.1
153.01877	0.6
153.05496	0.4
159.04506	0.3
160.01707	0.3
160.04007	0.3
160.05258	0.4
161.02391	0.8
161.04510	1.2
161.06018	0.8
163.03975	0.7
164.04723	0.3
165.01854	0.4
165.05518	1.4
166.02621	0.3
167.03441	1.2
167.07092	2.7
170.67792	0.2
171.13712	0.3
171.54271	0.2
175.03969	0.8
177.01874	0.5
177.05632	0.3
178.06313	0.4
179.03412	0.5
179.07071	0.3
181.05035	0.4
183.45338	0.2
190.02560	0.3
190.06349	0.3
191.03455	0.3
192.04224	0.2
193.01349	0.2
193.05017	0.6
193.08676	10.4
194.09050	0.6
195.06589	0.3
200.08362	0.4
205.05113	0.4
211.07605	0.5
215.03406	0.2
223.05980	0.4
226.10020	0.6
227.05463	0.4
228.08018	0.6
241.05045	0.3
245.06686	7.4
246.06989	0.4
252.07854	1.1
253.05167	0.5
253.08691	0.4
255.06631	1.9
267.06836	0.6
269.04498	0.6
269.08145	0.7
270.09052	3.0
271.06235	0.6
271.09448	0.5
273.07706	0.7
273.11523	0.3
282.09134	0.8
284.03476	0.3
284.06781	0.3
285.04160	0.4
285.07657	0.3
285.11523	0.3
287.05652	0.3
293.04807	0.3
297.11252	1.6
300.10098	0.6
309.07574	0.3
315.12439	100.0
316.12756	7.9
323.05817	0.2
337.09506	0.3
339.12506	0.8
357.13498	1.0
369.13776	0.2
371.09891	1.3
401.14468	0.4
435.13065	0.8
459.16721	3.4
460.17355	0.5
477.17767	30.8
478.18103	3.2
519.18823	11.9
520.19165	1.5
529.17249	0.2
545.13171	0.4
559.21869	0.7
561.19897	10.6
562.20178	1.3
579.17401	0.4
585.20032	2.4
603.21448	0.5
621.21790	0.6
676.95697	0.3
765.26080	0.5
891.29297	1.0
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
61.98717	1.1
63.25078	1.2
69.03362	1.1
70.07074	1.0
71.01265	17.4
71.53269	1.3
71.53654	1.3
72.99195	1.8
73.02837	3.5
83.01268	2.3
85.02842	3.9
87.00765	4.4
89.02337	14.7
95.01252	1.8
97.02797	2.4
101.02349	12.1
105.99802	1.1
113.02363	7.2
119.03421	3.3
125.02351	5.9
127.11232	2.8
132.71596	0.9
143.03374	1.7
161.04477	4.0
171.10223	100.0
172.10570	3.1
179.05548	3.1
217.07069	1.5
218.33670	0.9
221.06540	1.4
235.08266	5.4
277.21783	57.9
278.22202	4.9
279.74362	1.0
287.07849	1.6
305.08902	2.2
342.45834	1.2
379.12570	16.3
397.13620	41.9
398.14148	1.7
415.14667	6.2
506.65701	1.2
540.44202	1.1
551.23242	5.0
569.24762	5.8
574.17267	1.2
657.34631	1.9
675.35974	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	889.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	3.3
68.78058	0.4
70.84749	0.4
71.01274	6.7
73.02831	2.0
81.03353	0.5
83.01293	1.9
85.02846	3.4
87.00781	2.0
88.98721	1.1
89.02349	1.3
94.27689	0.5
95.01261	0.4
96.95924	2.0
97.02878	1.2
99.00797	0.9
101.02346	3.2
108.02075	1.0
109.02866	1.2
113.02368	2.0
116.92812	0.6
119.04945	1.5
121.51709	0.4
123.04444	1.0
124.01605	0.5
125.02357	2.7
128.25185	0.4
135.04478	1.1
136.01512	0.4
136.05244	0.6
137.06009	100.0
138.06349	3.6
139.03754	0.5
149.06017	1.8
150.03236	0.6
150.06796	0.8
151.00357	0.9
151.03960	2.3
152.01094	1.3
152.04762	2.1
159.02985	0.5
160.03998	0.6
161.04469	0.8
163.03999	0.9
163.07571	1.1
164.04720	4.9
165.05521	93.1
166.05832	3.4
173.05960	1.0
187.07680	0.7
188.08366	0.8
191.07111	2.3
196.03740	0.9
198.05580	0.5
201.38203	0.4
221.77266	0.5
229.79381	0.6
269.04788	0.7
277.07532	0.4
315.07358	1.6
327.21762	0.7
353.10461	0.5
354.61026	0.5
355.91867	0.4
401.06952	0.5
461.32755	1.4
463.34415	0.7
477.32022	0.8
479.33838	9.9
480.34021	1.3
521.35004	1.3
539.73132	0.5
600.40424	0.5
605.36584	0.6
623.38165	8.1
624.38733	1.2
641.39209	34.2
642.39539	6.1
683.40271	30.7
684.40698	4.1
785.43500	5.4
786.43945	1.0
803.44733	4.7
845.45544	76.8
846.45911	16.8
889.40216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98720	3.4
65.00213	0.5
68.34280	0.2
71.01272	2.7
71.51527	0.3
72.99211	0.2
73.02843	0.7
75.00757	0.2
81.03352	1.4
82.53814	0.2
83.01276	4.4
84.01614	0.2
85.02843	1.5
87.00777	0.8
88.98721	0.3
89.02334	1.3
93.03363	0.9
95.01293	0.4
95.04932	0.4
96.95934	2.0
97.02848	0.5
97.06420	0.2
98.95464	0.3
99.00805	0.5
99.04389	0.2
101.02351	1.7
107.01285	0.3
108.02087	0.8
109.02869	1.6
111.00761	0.3
113.02336	1.4
115.28532	0.2
117.03362	0.3
119.03447	0.3
119.05006	0.5
121.02875	0.9
123.00777	0.5
123.04435	0.6
124.01598	0.6
125.02367	100.0
126.02710	3.0
133.02898	2.3
135.04477	1.0
136.01601	0.3
137.02362	1.6
139.03926	1.0
145.02936	0.3
147.04440	0.3
149.02374	2.2
149.06053	0.7
151.00308	1.1
151.03972	0.6
152.01070	0.6
153.01849	0.7
159.04404	0.3
161.02388	20.1
161.04526	0.5
162.02831	0.8
163.00366	0.3
163.04016	0.5
164.04704	0.4
165.01900	1.3
165.05540	0.5
167.03479	2.0
173.05969	0.2
175.03981	0.5
177.01891	2.2
177.05527	0.4
179.03502	0.4
179.05663	0.2
179.07071	0.2
181.05063	0.3
185.02374	0.8
190.02715	0.3
191.03490	0.5
193.01440	0.4
193.05003	0.3
194.05695	0.2
201.05554	0.3
205.04945	0.2
217.05013	1.1
223.06107	0.4
229.01416	2.5
241.04980	0.3
243.06812	0.2
253.05101	0.7
269.04602	2.0
269.07596	0.3
270.04926	0.5
271.06149	2.1
283.06299	0.3
285.04105	7.9
286.04443	1.7
287.05676	68.5
288.06024	6.0
288.08942	0.2
299.05762	0.7
311.05588	1.8
313.06897	0.3
315.07294	0.4
329.06616	1.4
353.06793	0.3
355.04401	1.9
395.78094	0.2
425.08771	0.4
433.11511	0.6
439.20020	0.5
439.44955	0.2
441.21243	0.2
449.10876	4.2
450.11151	0.5
455.19339	0.4
473.10794	0.3
501.10065	0.2
517.09967	17.0
518.10400	2.1
519.10547	0.3
545.12964	1.0
657.99561	0.3
889.29462	1.0
890.30725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	10.6
65.00204	0.8
65.52231	0.3
69.03324	0.4
71.01271	4.7
71.59940	0.5
72.99200	0.6
73.02841	1.2
75.00753	0.6
81.03350	1.3
81.24306	0.3
83.01277	4.3
83.19193	0.3
85.02846	2.7
87.00772	0.5
88.98705	0.9
89.02332	2.1
93.03339	1.7
95.01275	0.8
96.95893	1.6
97.02873	0.4
99.00787	0.8
101.02340	2.5
102.02680	0.3
107.01301	0.8
108.02080	2.4
109.02881	2.5
113.02356	2.1
115.00262	0.3
116.92780	0.7
119.03454	0.7
119.04958	0.7
121.02866	1.2
123.04423	0.7
123.08207	0.4
125.02365	100.0
126.02695	2.9
133.02888	3.0
134.03691	0.5
135.00838	0.4
135.04446	1.5
137.02379	2.9
149.02390	2.6
149.05986	1.5
150.03130	0.4
151.00340	2.5
151.03920	0.6
152.01077	2.6
153.01839	1.4
159.04459	0.4
160.23268	0.3
161.02386	22.0
161.04541	1.1
162.02788	0.7
163.03912	0.5
164.04773	0.3
165.01897	0.8
165.05518	0.5
167.03424	0.5
169.01407	0.3
169.06586	0.3
175.03902	0.7
177.01868	2.4
179.03526	0.4
179.07092	0.4
185.02235	0.3
189.15738	0.3
190.02740	0.4
193.01399	7.8
193.05017	0.3
195.06689	0.4
201.05649	0.5
223.06114	0.8
229.03462	0.4
243.06523	0.4
253.05011	1.8
254.05453	0.4
269.04608	2.1
271.06070	2.1
285.04114	3.2
285.07016	0.5
286.04361	0.7
287.05685	11.9
288.06110	0.9
297.52466	0.3
299.05759	0.4
310.04651	0.4
310.83957	0.4
311.05826	0.4
315.07227	2.4
339.07300	0.5
383.06381	0.6
387.20209	0.4
391.06860	1.1
439.19696	1.1
448.09686	0.5
449.10895	6.6
450.11276	0.8
455.19330	0.8
456.20047	0.5
473.10605	0.4
504.40262	0.4
517.09998	22.8
518.10278	3.1
545.13049	0.8
594.62695	0.4
601.25671	0.6
641.39697	0.6
683.40613	0.5
889.29926	5.0
890.31488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	31.4
62.64248	0.8
69.03339	1.8
71.01270	80.0
71.54504	1.7
72.01582	0.9
72.99189	6.3
73.02834	12.8
75.00772	1.4
80.65992	0.7
81.03342	1.7
83.01280	11.3
83.04916	1.2
85.02842	28.8
85.77088	0.9
87.00765	5.2
88.98692	1.3
89.02337	58.5
93.03377	1.5
95.01289	8.0
96.95918	6.1
97.02854	3.1
99.00777	6.8
101.02344	46.1
102.02682	0.9
108.02085	1.1
109.02875	1.9
111.00774	1.8
113.02357	35.7
115.03919	1.0
116.92764	0.9
117.03403	0.9
119.03418	18.5
119.04910	3.4
121.02898	1.2
123.04410	1.0
125.02370	11.0
127.00251	1.2
131.03410	2.5
135.04463	1.5
136.01523	1.0
136.05237	0.9
137.02388	1.7
137.09639	0.9
138.05505	1.0
143.03424	4.7
145.02884	1.1
149.02382	1.4
149.04460	1.7
150.03131	1.7
151.00266	1.5
151.03979	1.9
152.01103	2.7
152.08247	0.8
153.01883	1.6
153.09122	2.1
159.02902	2.7
161.02394	1.6
161.04503	17.9
163.04021	1.0
165.05495	3.1
173.09729	0.8
174.01555	0.9
179.05594	13.9
179.07008	0.7
180.04282	0.9
181.04993	1.9
189.12825	14.0
190.13147	1.5
193.05045	1.2
195.06609	1.4
205.12346	0.9
207.13863	2.5
209.15186	1.0
221.06775	1.1
223.06029	1.1
236.83701	0.8
253.05211	0.9
269.04617	4.1
271.06180	2.2
277.97559	0.9
285.04083	1.9
287.05649	2.0
299.05441	0.8
311.05646	1.0
313.07254	1.9
321.17032	0.8
353.14392	1.1
357.13385	1.0
371.20810	4.8
385.18802	1.3
387.15207	1.7
387.20270	21.2
388.20816	1.9
401.14767	1.1
429.21225	1.8
437.17877	1.1
438.18329	0.9
439.19812	98.7
440.20148	8.6
441.20529	1.6
453.17529	1.4
455.19312	100.0
456.19748	9.2
524.38672	1.2
573.93927	1.0
696.18604	1.0
782.63043	1.0
827.25610	1.7
827.40930	24.0
828.41473	4.9
887.27228	1.4
887.37872	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	887.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	1.7
70.33060	0.4
71.01263	0.9
72.74786	0.4
80.97221	0.4
81.03432	0.4
91.49141	0.4
96.95913	1.5
99.04414	3.2
101.02347	3.3
119.04932	0.5
121.02860	0.6
123.04440	0.8
125.02371	4.6
133.02931	0.6
135.04472	1.2
137.05988	1.2
149.02350	0.5
151.00360	0.5
151.03870	0.5
151.66904	0.4
165.05502	0.5
176.70258	0.5
232.30675	0.4
255.06656	1.2
267.06656	3.8
293.12042	0.6
295.09918	0.6
305.08755	1.3
309.11340	0.7
311.12912	0.6
317.07745	0.6
321.04172	0.6
349.07123	0.5
363.08655	0.6
363.16122	0.8
364.09821	0.5
373.14795	0.6
375.08597	0.7
376.09247	0.6
391.15521	3.4
401.13968	0.9
404.13138	0.5
417.13449	0.6
418.14581	0.5
419.15088	100.0
420.15387	9.8
530.61047	0.5
581.20410	39.2
582.20691	5.6
623.21490	8.8
624.21741	1.6
663.24609	1.6
725.24481	1.4
787.45129	0.5
887.29596	5.7
887.45294	0.9
888.30890	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	885.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	0.4
69.03333	0.8
71.01273	14.5
71.04887	0.4
72.01584	0.3
72.99196	1.6
73.02841	2.2
75.00763	0.4
80.02578	1.1
81.03352	1.9
83.01285	2.0
83.04919	5.5
84.02061	0.8
85.02835	3.2
87.00773	4.0
89.02340	13.2
91.03884	0.3
95.01278	1.0
95.04909	0.9
97.02859	2.5
97.06448	0.3
97.48386	0.2
99.00786	1.0
99.04446	0.2
101.02345	10.8
109.67854	0.2
111.00790	0.4
113.02363	6.9
115.03923	0.2
119.03399	3.0
121.02857	0.3
125.02379	5.3
125.05985	0.7
131.03416	0.7
133.71674	0.2
135.08096	0.8
139.03899	0.4
143.03429	2.1
149.04526	0.3
161.04518	3.1
163.11226	4.5
164.11557	0.4
165.12799	2.8
167.03461	0.3
174.72424	0.2
178.33385	0.2
179.05577	3.5
181.05011	0.3
181.12354	0.5
191.10735	0.9
194.05695	0.2
197.75740	0.2
199.06152	0.3
209.11821	100.0
210.12167	5.0
211.13376	0.3
217.07193	1.0
221.06686	1.1
227.12900	10.7
228.13202	0.8
235.08275	4.3
245.06744	0.4
251.12921	0.5
253.09363	0.7
259.08276	0.4
263.07800	0.6
275.20352	0.3
277.21783	47.0
278.22159	3.1
287.07797	1.6
291.23593	0.4
305.08868	1.5
323.06406	0.2
323.09702	1.2
379.12552	6.4
380.12888	0.6
397.13596	31.9
398.13962	1.8
415.14676	8.5
416.14841	0.5
527.30902	0.3
589.25348	0.9
598.91016	0.3
607.26379	1.4
675.36169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	0.4
64.40456	0.2
65.26395	0.2
68.55154	0.2
69.03333	1.0
71.01269	12.8
72.01638	0.2
72.99200	1.4
73.02827	1.6
75.00766	0.3
78.95771	0.2
80.02564	1.0
81.03349	1.9
83.01279	2.1
83.04916	5.3
83.05381	0.4
84.02058	0.7
85.02840	3.1
87.00767	3.3
89.02336	10.8
91.03949	0.3
95.01273	1.1
95.04914	0.8
96.95886	0.3
97.02847	2.3
99.00771	0.8
101.02350	10.1
109.06468	0.5
111.04457	0.3
113.02359	5.4
119.03423	2.9
125.02367	5.1
125.06020	0.5
131.03395	0.5
135.08081	0.7
139.03932	0.4
141.01859	0.5
143.03424	2.1
147.11755	0.3
161.04494	2.4
163.09970	0.4
163.11224	3.8
164.11650	0.3
165.12825	2.7
167.03479	0.3
171.02864	0.2
177.09167	0.2
179.05554	3.6
181.12305	0.6
191.03459	0.3
191.10739	0.9
199.06146	0.5
207.10335	0.3
209.11815	100.0
210.12138	4.9
217.07147	1.0
221.06644	1.6
225.11285	0.6
225.75131	0.3
226.11636	0.4
227.12895	10.5
228.13252	0.7
233.11658	0.3
235.08237	4.0
245.06709	0.4
251.12915	0.5
253.09210	0.5
259.08331	0.5
263.07809	0.4
267.66010	0.2
277.21777	41.7
278.22110	3.2
287.07755	1.7
301.09442	0.3
305.08807	1.3
323.09818	0.9
379.12540	6.0
380.13156	0.4
397.13593	28.9
398.13907	1.9
415.14676	7.6
416.14954	0.6
445.24014	0.3
466.37662	0.3
565.30603	0.3
589.25116	0.6
594.15967	0.4
594.72443	0.3
601.78284	0.3
607.25812	1.0
608.26221	0.3
885.47455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98734	0.7
64.84956	0.4
69.03344	1.1
71.01270	18.8
72.99190	1.8
73.02845	2.8
75.00748	0.5
81.03374	0.6
83.01253	2.4
85.02837	4.4
87.00764	3.0
89.02338	12.5
93.78363	0.4
95.01299	0.9
97.02850	2.3
99.00785	1.1
101.02351	11.9
107.74091	0.4
110.48011	0.4
111.00777	0.5
111.08075	0.8
111.70166	0.4
113.02354	5.7
119.03426	3.0
125.02382	3.4
131.03439	0.5
143.03419	0.9
161.04445	2.5
165.12802	5.7
179.05563	1.2
183.13872	61.3
184.14240	2.7
202.42758	0.4
209.11760	0.8
217.49355	0.4
221.06676	2.4
227.12898	4.9
235.08246	1.6
253.09335	0.6
262.71414	0.4
277.21774	26.2
278.22131	1.9
287.07495	0.6
293.21356	3.3
379.12469	1.1
397.13599	6.4
398.14108	0.5
415.14578	1.7
607.25995	1.3
625.27039	2.2
748.03265	0.4
828.99072	0.5
885.48730	100.0
886.49017	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	885.4867
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98720	31.4
69.03352	1.3
71.01275	19.8
72.57654	1.1
72.99190	2.5
73.02811	3.4
83.01280	2.7
85.02843	5.0
87.00746	3.4
89.02335	11.6
97.02843	1.9
99.00793	1.5
101.02361	10.9
113.02353	6.0
116.92829	1.1
119.03425	2.7
125.02367	2.5
138.81395	1.3
143.03450	2.4
149.29906	1.1
161.04492	1.7
163.11302	1.3
165.12820	7.0
179.05603	2.3
183.13866	42.1
184.14183	1.8
207.10193	1.6
209.11835	2.7
221.06618	1.3
227.12868	4.0
235.08211	2.1
277.21796	43.9
278.22165	3.8
397.13574	8.2
415.14645	1.9
606.81653	1.1
885.48700	100.0
886.48840	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	885.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	100.0
66.05347	1.8
69.03323	3.3
71.01269	89.7
71.60028	3.3
72.01630	1.9
72.99197	6.8
73.02838	10.4
74.06787	1.8
75.00746	3.3
79.64140	1.8
81.03349	1.9
83.01276	25.0
83.04915	2.3
85.02847	26.6
87.00774	7.9
88.98691	4.2
89.02335	63.6
93.03356	8.1
95.01263	7.4
96.95928	21.4
97.02861	4.4
98.95496	2.2
99.00780	5.8
101.01696	3.6
101.02339	49.2
103.00238	2.1
108.02073	7.0
109.02851	10.1
111.00783	3.0
113.02353	44.7
116.92719	1.8
119.03409	22.9
119.04889	5.4
121.02853	6.7
122.03725	1.9
123.00742	2.3
123.04414	3.0
123.49693	1.7
124.01588	2.3
125.02381	22.6
127.00313	8.8
131.03391	2.7
133.02859	4.8
134.03590	2.1
135.04454	5.0
137.02379	12.6
137.09663	5.3
139.00311	4.7
143.03410	6.5
145.02890	2.4
149.02335	5.3
149.06010	2.4
149.88139	2.1
150.03154	4.3
151.00287	6.7
151.03883	4.9
151.07643	2.1
152.01080	8.7
152.08395	1.9
153.01801	6.1
153.09125	4.7
157.01312	2.6
159.02985	2.3
160.01675	3.0
161.02388	3.9
161.04486	14.8
161.09636	2.9
163.03932	4.2
164.04794	2.3
165.05479	4.5
166.02614	2.8
166.18051	1.7
167.03392	2.3
175.03912	3.6
176.01100	2.3
177.01868	3.7
179.03343	1.9
179.05544	15.6
179.10732	2.6
181.05029	2.1
187.02458	3.5
187.11185	2.7
189.12839	12.9
190.02710	4.3
193.05067	3.1
193.08667	4.1
195.06599	3.0
202.21123	2.2
205.04967	5.4
205.12398	3.7
207.10329	2.5
207.13879	3.1
217.05025	2.2
223.06084	5.3
227.06868	1.8
247.04666	6.3
265.09372	3.5
269.04575	7.4
270.05148	2.2
285.04083	23.8
287.05386	2.0
299.13019	2.0
315.07550	10.0
323.09393	2.0
347.05762	1.9
367.10580	2.7
369.19278	3.6
381.06104	2.7
385.18600	2.3
387.20328	12.9
388.20676	1.9
401.14587	5.0
429.21432	3.0
437.18231	69.9
438.18494	7.9
439.19656	6.8
453.17786	11.6
454.17950	4.8
455.19293	73.1
456.19696	9.4
467.57803	2.0
497.20355	26.4
498.20374	2.7
517.16608	2.2
527.21411	9.7
528.21979	3.2
557.22015	2.3
575.23602	3.1
779.22272	1.9
825.38690	11.1
854.44952	2.5
885.32941	6.5
886.41211	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	881.492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	2.9
67.01762	0.8
67.17591	0.4
68.99698	1.7
69.03358	0.5
69.20860	0.4
69.96571	0.4
70.13323	1.8
71.01268	28.9
72.01585	0.6
72.99192	2.2
73.02840	5.1
75.00759	11.9
77.25706	0.4
83.01279	4.8
85.02843	24.7
85.05167	0.4
86.03191	0.5
87.00775	1.2
89.02336	4.4
95.01295	3.2
96.95902	1.4
99.00779	15.7
101.02352	6.5
109.02892	0.5
111.00778	1.0
112.01538	0.7
113.02354	10.6
125.02364	0.7
129.01845	1.6
131.02478	1.0
131.03432	17.9
132.03764	0.5
157.01392	1.1
191.05557	3.3
305.20459	0.4
353.10385	0.7
420.55682	0.5
439.15433	1.2
439.35928	3.6
509.39957	2.1
510.40564	0.6
575.21283	0.5
603.04565	0.4
660.83026	0.6
749.45142	0.5
837.46344	1.4
863.47662	1.8
881.49243	100.0
882.49609	24.8
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
61.98720	12.6
68.99735	0.6
69.03338	2.2
71.01269	22.0
71.54838	0.5
72.99192	2.3
73.02831	3.9
79.59483	0.5
80.02564	1.3
81.03345	3.8
83.01283	2.6
83.04902	3.0
85.02842	5.7
87.00771	5.0
89.02338	18.3
95.01289	1.2
97.02854	11.7
99.00783	2.5
101.02347	13.1
106.04150	0.6
107.04956	1.5
109.06499	34.8
110.03664	0.8
111.04418	0.8
113.02364	9.1
119.03425	4.9
121.06519	1.8
123.04452	1.0
125.02351	6.2
125.09590	0.6
131.03415	1.3
135.08087	4.6
136.05219	1.8
141.01868	1.4
142.02673	2.1
143.03448	3.3
161.04529	3.9
161.09676	2.0
163.11241	18.6
164.11610	0.9
177.38277	0.6
179.05580	5.3
179.10625	0.8
181.12326	4.5
189.09171	2.5
207.10251	100.0
208.10605	3.9
209.11838	3.8
221.06660	2.3
221.11792	0.8
225.11328	49.3
226.11679	1.5
235.08240	4.5
243.12442	2.9
253.09293	1.2
259.08420	0.7
277.21796	51.8
278.22104	2.5
281.14001	1.0
287.07751	1.2
293.21307	0.6
294.21567	0.6
299.15002	1.6
305.08810	2.5
309.20865	0.6
323.09982	1.5
356.91840	0.7
379.12500	5.7
397.13605	31.5
398.13785	2.2
415.14728	11.1
416.15082	0.7
441.34180	0.9
587.23425	1.9
605.24670	7.6
606.24817	0.9
623.25525	7.1
865.45636	1.5
883.47144	51.2
884.47302	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	881.4924
Annotation	AM 6222A
Peak:m/z	Relative Intensity
61.98706	0.4
65.61943	0.2
66.94965	0.3
67.01773	0.5
68.99696	1.8
69.03352	0.8
69.23705	2.9
71.01267	37.9
72.01604	0.5
72.99194	1.2
73.02832	6.0
75.00759	12.8
79.51908	0.2
83.01273	4.9
85.02839	27.3
86.00002	0.8
86.03165	0.5
87.00777	2.9
89.01821	0.5
89.02341	6.2
89.02892	0.3
95.01284	3.2
96.95912	1.8
99.00777	13.1
101.02330	3.7
111.00777	0.6
112.01572	0.4
113.02352	12.5
115.00243	0.5
125.02368	0.3
131.03421	14.0
139.00291	0.8
146.14276	0.3
149.04483	0.9
157.01361	0.9
161.04480	0.4
170.59837	0.2
190.52211	0.2
191.05569	5.5
192.05893	0.3
233.06610	0.9
236.49306	0.3
246.35446	0.3
288.96310	0.3
355.52298	0.3
439.35928	3.5
440.36102	0.6
468.13809	0.4
509.39984	3.3
510.40454	0.4
540.12933	0.3
553.39172	0.5
581.38635	0.4
599.39081	0.4
820.25635	0.3
821.47223	0.4
837.47028	0.3
863.48145	1.0
881.49182	100.0
882.49585	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	881.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98727	10.7
68.57961	1.9
71.01266	28.4
71.52202	3.0
72.74295	1.6
72.99180	2.5
73.02818	5.9
75.63222	1.8
83.01279	7.5
85.02836	12.0
87.00734	3.6
89.02325	6.2
95.01311	2.4
96.95908	5.6
99.00781	4.3
101.02354	15.7
113.02359	10.6
114.25498	2.2
119.03419	3.3
125.02368	2.8
125.60326	1.7
161.04497	3.4
257.76166	1.8
309.35965	2.5
471.34991	33.1
472.35077	3.2
615.39368	20.3
616.39630	5.0
633.39703	6.5
675.41357	18.3
676.41193	5.3
779.45203	2.5
795.45728	5.5
837.46490	100.0
838.47021	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4922
Annotation	AM 6222A
Peak:m/z	Relative Intensity
61.98717	23.1
65.66071	0.5
67.01755	0.4
68.99709	2.9
71.01270	28.3
72.99203	3.5
73.02820	1.8
75.00762	14.1
83.01281	3.8
85.02360	0.6
85.02847	12.1
85.99958	0.5
87.00774	3.6
89.01777	0.5
89.02340	10.2
93.03344	0.6
95.01280	4.4
96.95901	3.8
97.02841	0.9
98.14777	0.4
99.00778	14.8
101.02347	13.0
109.02811	0.5
109.93484	0.4
111.00770	0.7
113.02357	10.1
115.00276	0.4
119.03448	2.3
125.02360	1.0
129.01846	0.6
131.03395	0.6
135.04457	0.8
136.00471	0.4
139.00298	1.0
157.01389	1.2
161.02444	0.5
161.04442	1.2
439.35934	1.0
465.37350	0.9
596.16827	0.5
611.43292	0.6
701.42621	0.9
805.47998	1.0
819.50714	0.5
881.49231	100.0
882.32159	0.9
882.49506	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	880.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	3.3
65.00206	4.7
65.03854	1.3
67.01788	2.0
68.99702	1.0
69.03371	0.6
71.01262	6.7
71.54271	0.9
71.54926	0.5
72.99184	0.7
73.02837	1.7
75.02270	0.5
82.02883	2.4
83.01290	3.4
85.02843	2.8
87.00779	1.3
89.02332	3.8
89.03864	2.6
91.01801	9.4
93.03353	4.6
95.01254	1.3
96.95933	2.7
97.02883	0.6
99.00785	1.5
99.04414	0.7
101.02358	3.9
103.03862	0.6
104.75682	0.6
105.03361	0.8
107.04925	2.4
108.02068	0.7
109.02863	16.6
112.03982	1.3
113.02364	3.0
117.03374	5.1
119.04945	76.0
120.05277	2.8
121.02868	2.5
123.04428	2.6
124.03912	0.9
125.02352	2.3
133.02879	19.1
134.03323	0.7
135.00807	1.0
135.04454	2.2
136.01620	0.7
136.07449	0.6
137.02364	1.7
139.03918	0.6
143.03398	0.6
143.04970	4.3
143.79723	0.6
145.02895	22.0
147.04434	0.9
149.02382	4.4
149.04492	0.7
150.03183	1.0
151.00345	3.8
151.03940	6.1
152.01118	1.2
153.01921	1.3
158.05974	0.7
159.04482	1.0
160.04018	2.1
160.07632	2.4
161.02385	2.8
161.04488	1.4
162.03172	1.0
162.05547	0.7
163.00333	5.9
163.03943	3.6
164.04704	0.9
165.01894	1.2
165.05479	1.4
166.05031	1.4
167.03459	3.3
175.00296	0.8
175.02524	0.8
175.03979	1.1
176.01111	0.9
177.01892	100.0
178.02312	3.4
178.08636	0.7
179.03452	3.7
181.04958	0.9
185.06000	0.9
186.96198	0.6
187.03972	7.3
189.01903	29.8
190.02560	2.7
191.03470	5.5
195.02917	1.3
195.06654	1.0
201.01836	0.7
202.08751	1.2
203.03459	5.4
204.06633	1.4
205.05022	0.8
207.02997	1.9
215.03584	0.9
222.01764	1.5
228.06598	4.1
229.05095	1.3
231.03024	0.8
246.07751	8.9
253.08862	0.9
269.04483	1.3
271.06183	1.2
272.05743	4.4
272.09271	0.8
283.06082	3.0
295.06097	1.3
296.06927	1.9
297.07727	34.3
298.08148	1.4
309.07758	12.7
310.08148	1.4
339.08774	0.6
340.62363	0.8
340.86642	0.7
348.12613	1.4
366.13562	8.6
367.13730	1.4
392.11490	1.3
421.17432	1.3
422.17468	1.0
467.11664	0.7
485.13220	5.0
486.13358	1.2
497.13135	0.7
551.18042	0.8
554.19000	1.1
572.17761	5.7
573.18188	0.9
580.17432	1.2
605.18884	9.0
606.19061	1.7
674.24652	10.6
675.24768	1.6
700.22577	12.5
701.22552	1.6
718.23688	31.3
719.24164	4.7
757.12024	0.7
760.24347	2.8
880.28998	68.1
881.29370	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	879.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98715	0.5
69.03342	1.0
69.36830	0.7
69.37229	3.2
71.00900	0.8
71.01271	11.0
71.04903	2.9
72.99196	1.1
73.02839	1.9
81.03357	0.5
83.01263	1.6
83.04901	0.8
84.45079	0.4
85.02847	2.4
87.00771	1.7
89.01832	0.7
89.02339	7.9
95.01292	0.5
95.04927	0.8
97.02845	3.4
97.06477	2.7
99.00782	13.9
101.02348	7.2
106.04167	0.4
109.06482	1.2
109.72555	0.4
110.03691	0.5
111.00765	0.7
113.02355	3.4
119.03386	2.0
123.08070	1.8
125.02357	1.6
125.09650	7.4
135.08063	0.6
139.03848	0.4
142.02650	1.4
143.03445	0.7
145.10083	0.4
155.14439	0.6
161.04533	0.5
161.09625	0.5
163.11232	8.7
164.11513	0.5
168.59987	0.4
171.10255	0.9
181.10796	0.7
181.12306	10.9
182.12653	0.6
187.94559	0.4
199.13376	5.3
207.10263	19.7
208.10606	0.9
221.06654	1.6
225.11331	23.1
226.11635	1.7
233.45798	0.5
235.08232	1.2
243.12407	12.1
244.12784	0.5
255.23329	29.5
256.23672	2.3
397.13577	2.2
415.14819	0.6
452.07336	0.4
555.39294	0.5
623.26056	0.5
641.26752	0.9
751.80890	0.5
867.35107	0.5
879.49792	100.0
880.50043	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	877.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	6.6
64.94865	0.5
71.01268	3.1
73.02860	0.8
75.00761	0.6
75.24973	0.5
83.01299	0.6
85.02878	1.0
87.00789	0.6
89.02316	0.8
89.56400	0.5
93.03342	0.9
96.95923	2.5
99.00799	0.7
101.02338	1.8
108.02053	1.0
109.02860	0.9
113.02362	0.9
119.04959	1.3
121.02873	1.2
125.02357	2.2
135.04420	4.0
137.02313	1.0
147.04375	0.6
147.44806	0.5
151.00346	0.8
151.03951	0.7
152.01088	0.6
153.01866	0.6
161.02348	1.1
161.04440	0.9
163.03954	34.6
164.04666	4.1
176.04604	0.5
178.06310	46.6
179.03467	1.1
179.07086	14.9
180.07541	0.7
193.08675	100.0
194.05803	2.1
194.08968	4.3
209.08179	13.0
269.04608	1.3
323.12967	0.8
403.17688	33.2
404.17923	3.5
419.16928	3.4
420.17328	0.7
445.18701	2.9
613.26593	13.9
614.27222	2.7
655.29333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	1.1
63.07039	0.6
69.03346	3.7
69.88667	3.4
71.01270	13.0
71.04902	1.6
72.99176	1.6
73.02824	2.0
81.03350	0.7
83.01257	0.8
83.04937	0.6
85.02847	2.9
85.87794	0.6
87.00755	2.1
89.02335	8.6
95.01308	0.8
97.02848	2.3
97.06478	1.1
98.19889	0.8
99.00783	1.0
101.02339	10.5
111.04392	0.7
111.68822	0.5
113.02348	3.4
119.03397	2.1
121.02904	0.9
123.08058	0.8
125.02348	2.2
125.09658	1.7
131.03453	1.0
135.68941	0.5
143.03413	0.6
144.83499	0.7
151.11203	2.3
153.12756	0.9
161.04474	1.1
161.09680	3.5
179.05536	0.8
179.10733	5.9
197.11806	33.7
198.12131	1.2
199.56541	0.5
209.11813	1.8
221.06671	1.5
228.01256	0.6
235.08267	1.0
241.10844	2.1
255.23315	44.4
256.23737	3.7
269.24924	0.7
397.13443	2.0
415.14291	0.8
537.80835	0.6
552.69214	0.7
676.90839	0.7
741.08447	0.6
863.33301	0.8
863.65149	0.7
877.48163	100.0
878.48468	21.4
878.61554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76540	0.8
64.87685	0.8
69.03347	2.5
70.80935	2.8
71.01276	4.7
73.02807	1.6
77.32325	1.0
83.01276	3.5
85.02839	1.1
89.02328	1.1
89.38003	0.8
93.98286	0.8
95.01270	3.5
96.95885	0.9
97.02853	3.7
97.85860	0.8
101.02333	3.2
107.01307	1.7
109.02872	1.3
112.44510	0.8
113.02345	2.0
121.02814	0.8
123.00810	17.0
123.04417	1.3
124.01588	37.5
125.02371	45.8
126.02667	1.5
149.02344	2.5
149.99524	57.9
151.00357	7.1
159.85683	1.0
166.99783	1.4
167.03445	3.3
168.00595	100.0
169.01369	17.0
179.03441	2.4
204.92131	0.9
287.07773	1.5
294.14474	0.9
313.05817	1.4
331.06888	5.9
367.16238	0.8
394.02353	1.0
419.12094	0.9
435.61948	1.0
445.09946	3.2
447.22849	1.8
463.10843	5.3
469.25070	0.9
810.14618	1.1
877.22772	62.3
878.23273	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	875.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99190	0.9
61.98719	7.4
65.00216	0.9
68.99725	0.5
69.03346	1.6
69.28008	5.3
71.01271	14.0
72.01601	0.8
72.99197	2.7
73.02841	3.0
75.00788	0.6
81.03369	1.6
83.01277	40.8
84.01634	0.9
85.02849	5.5
86.99100	0.6
87.00789	1.5
88.98695	6.0
89.02330	2.6
91.01770	0.5
93.03364	1.6
95.01270	1.8
95.04946	0.5
96.95921	3.0
97.02850	5.0
98.19851	1.1
99.00771	2.5
99.04416	2.2
101.02345	11.3
103.03875	0.6
107.01242	0.8
108.02074	2.0
109.02879	2.3
113.02345	6.5
114.21378	0.5
115.00275	1.2
116.92725	0.5
119.03338	0.6
119.04932	1.2
121.02863	1.6
122.03672	0.5
123.00797	0.7
123.04449	1.3
125.02370	30.6
126.02657	0.6
132.02101	0.8
134.03673	0.6
135.00816	1.8
135.04449	2.0
137.02380	2.0
139.94695	0.5
143.03453	1.6
143.05006	0.6
147.04445	0.9
148.01604	3.4
149.02383	2.5
150.03064	1.1
151.00323	3.2
151.01340	0.5
151.03966	0.8
152.01054	1.2
153.01845	1.9
153.05568	0.9
161.02357	2.0
161.04538	3.9
161.05780	0.9
163.03940	0.9
164.04750	1.1
165.01814	0.7
165.05515	1.3
165.41574	0.5
166.02615	0.6
166.05037	1.1
167.03435	1.8
174.01686	0.6
174.03093	1.2
175.02472	0.9
175.03885	1.1
176.01144	0.8
177.01901	1.1
177.05504	0.7
179.07109	1.0
181.05009	1.0
187.03987	0.6
190.02765	1.2
193.05031	1.2
199.03949	1.3
200.04710	0.9
203.03409	0.5
205.05060	0.7
211.04013	1.6
212.04732	1.8
223.04050	0.9
227.03523	4.1
228.04250	1.5
239.03647	1.2
240.04286	2.6
245.06694	12.4
246.07127	0.7
253.05025	1.1
255.03024	22.0
256.03564	2.9
267.03073	0.8
268.03714	1.1
269.04532	8.2
270.05115	0.6
270.11856	0.5
271.05957	0.7
281.04584	1.1
283.02560	23.3
283.09497	0.9
284.03320	96.3
285.03802	9.6
287.05414	3.1
295.02628	0.7
297.00696	1.1
297.04111	22.1
298.04868	22.4
299.05661	100.0
300.06015	7.4
301.10837	1.4
311.05658	0.9
313.03714	0.7
323.05795	0.8
339.08762	0.8
341.06665	1.7
357.13574	1.6
369.13437	1.4
371.09970	4.6
443.09943	2.1
459.12695	0.7
461.10986	47.9
462.11340	5.3
503.12070	46.4
504.12329	6.3
517.10358	1.1
545.04803	1.0
545.13147	17.9
546.13354	2.1
569.13062	0.6
587.14240	2.2
597.23553	4.9
713.27881	1.4
749.19562	6.3
750.20496	1.2
875.22083	11.2
876.23065	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	873.559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	0.7
69.03310	0.4
70.92027	0.6
71.01264	0.7
71.04903	0.2
72.99187	0.5
83.04938	0.5
85.06489	0.2
87.00834	0.2
89.02340	0.8
90.59839	0.2
97.06479	0.3
101.02344	0.4
113.02424	0.4
113.09640	0.5
119.03397	0.5
125.09636	0.5
139.11215	2.7
153.12778	1.5
179.05629	0.7
186.93298	0.2
191.18031	2.9
219.31030	0.3
224.14168	0.8
229.19601	0.7
245.19125	0.4
247.20746	2.6
255.23294	2.1
266.68225	0.3
275.20114	0.3
291.19858	0.4
293.21289	100.0
294.21588	8.5
311.44821	0.3
323.10043	0.7
341.10944	1.0
388.67087	0.2
401.69312	0.2
521.00989	0.3
579.17169	0.7
579.33868	1.0
580.17358	0.3
624.68829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.472
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99183	2.1
61.98721	8.9
69.03345	1.4
69.36874	2.9
69.37299	3.3
71.01272	47.0
71.06522	0.7
72.99202	3.9
73.02840	11.8
75.00741	2.2
78.95801	1.0
83.01283	10.3
85.02847	25.2
87.00774	5.1
88.98704	4.9
89.02341	14.7
93.03339	2.0
95.01302	4.6
96.95916	4.8
97.02843	2.6
99.00786	5.4
99.04402	1.1
101.02353	30.3
102.02720	1.0
108.02079	2.2
109.02874	3.2
111.00813	1.0
113.02356	19.7
114.02725	0.8
115.00267	0.8
116.92738	2.0
117.03346	0.7
119.03436	4.6
119.04915	1.3
121.02841	1.8
123.04411	1.0
125.02392	7.2
131.03389	1.9
133.02841	1.0
135.04469	3.4
137.02373	2.6
143.03413	2.6
145.02844	0.6
149.02399	1.5
149.06056	0.7
150.03110	1.0
151.00310	1.3
151.03957	1.2
152.01117	1.0
153.01869	2.0
159.02911	2.8
161.02379	2.2
161.04503	8.6
163.03970	4.8
164.04633	0.9
165.01849	0.9
165.05463	1.0
171.10156	0.8
175.02449	1.1
175.04021	0.7
177.01921	1.2
178.06311	3.5
179.05525	2.0
181.05084	0.9
187.11006	0.7
190.02686	0.9
193.05013	1.2
193.08650	5.3
195.06607	0.7
197.05876	0.8
201.08980	0.6
205.05127	1.4
207.06609	0.6
217.08769	0.7
221.06564	0.9
223.06082	1.2
225.05609	0.8
229.03564	1.1
237.09863	1.4
253.05283	1.0
255.06682	2.5
255.55586	0.7
269.04514	4.8
270.04922	0.9
271.06177	1.7
285.04156	1.7
287.05737	1.1
305.08838	3.3
321.30176	0.6
321.49475	0.7
351.08667	1.0
371.20755	1.0
401.14505	1.2
403.17508	1.4
403.60864	0.7
423.32706	1.0
439.19815	7.6
440.19934	1.5
455.19318	1.2
457.33286	0.8
485.10992	1.0
573.32709	1.5
619.38953	1.6
649.39282	3.0
782.25952	0.9
811.45044	100.0
812.45410	20.4
855.43964	2.5
871.32697	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	869.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	6.2
68.99715	0.4
69.03355	1.1
69.50689	0.4
71.01270	4.8
71.59765	0.6
72.01606	0.4
72.99187	0.7
73.02847	1.5
75.00739	0.4
81.03357	1.0
83.01280	1.7
85.02842	4.2
87.00774	0.6
88.98697	0.5
89.02348	1.3
93.03366	1.0
95.01281	2.9
96.95912	2.2
97.02854	1.0
99.00806	0.8
101.02353	3.0
108.02076	43.6
109.02873	23.1
110.03214	1.0
113.02339	2.3
115.99261	0.4
119.03440	0.4
121.02885	1.5
123.00788	2.0
123.04477	1.7
125.02374	2.1
133.02884	1.5
135.00804	1.1
135.04442	1.4
136.01584	0.4
137.02359	1.0
145.02884	0.5
147.04503	0.6
149.02402	1.2
149.06003	0.5
151.00302	1.0
151.03911	1.8
152.01089	40.4
153.01877	56.5
154.02286	1.8
161.02380	1.1
161.04480	1.2
163.03986	2.1
165.01878	1.9
165.05597	1.0
166.02568	0.6
167.03508	0.5
175.03915	2.0
177.01878	3.7
179.03511	0.4
181.04932	0.4
185.90202	0.4
187.71104	0.4
193.05025	0.9
195.02957	0.5
207.02966	0.5
217.05095	0.8
255.06708	0.4
269.04617	0.6
285.04114	1.6
286.04187	0.5
289.09387	0.5
297.06219	15.5
298.06689	0.9
315.07278	100.0
316.07617	5.2
323.12976	0.8
337.10681	0.4
339.07242	2.4
347.09439	0.9
351.05383	0.4
357.08212	1.3
363.08603	0.4
365.10339	1.6
366.11383	0.7
377.10248	0.7
378.11121	0.9
379.11957	1.1
383.06216	2.4
393.09875	1.0
394.10532	3.6
401.07117	1.0
407.11130	1.1
408.12143	0.4
409.12964	6.2
410.13400	0.6
429.10825	0.4
447.11636	0.5
459.11584	4.2
553.17395	0.4
571.18170	1.4
663.38855	0.4
668.40662	0.4
707.19708	3.7
765.46118	0.5
869.24725	5.1
870.25342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01784	0.6
69.03350	0.8
71.01278	4.3
71.53592	1.0
73.02847	3.0
81.03324	0.9
83.01279	47.0
84.01626	1.1
85.02842	2.4
87.00774	0.8
89.02336	0.7
92.41438	0.6
95.01289	1.3
96.95912	0.9
97.02873	1.8
99.00790	8.7
101.02353	20.5
102.02659	0.7
109.02862	2.2
111.04462	0.6
113.02366	3.9
115.03928	0.6
119.04930	0.6
121.02882	1.3
123.00805	1.9
123.04411	0.7
125.02395	4.5
125.99486	0.9
127.00298	18.3
127.01254	0.9
127.05058	0.6
137.02380	9.0
138.03166	0.8
139.00278	0.8
139.03935	1.1
141.01863	8.8
143.03429	0.7
145.01376	2.1
149.02313	0.9
150.03021	0.6
151.00316	27.8
151.03922	1.2
152.01010	2.0
152.04718	1.9
153.01852	0.9
153.05469	0.7
159.04501	0.6
161.04480	1.3
163.03954	0.9
163.47743	0.5
165.01892	1.9
166.02676	74.2
167.03349	4.3
168.03902	0.6
169.01413	1.9
175.03835	1.2
175.07561	0.7
177.01909	3.5
179.03442	1.0
179.07091	0.6
179.90565	0.6
181.05038	100.0
182.05356	4.0
184.03706	0.9
188.04796	0.6
189.05611	0.9
190.06357	1.4
191.03421	1.8
192.04205	0.9
193.05046	1.4
203.03355	0.8
203.07056	0.7
205.05064	1.3
205.08720	2.0
206.05841	0.6
207.06631	2.3
219.06708	0.7
220.07440	0.9
233.07980	0.6
271.06226	0.8
289.05823	3.6
308.85608	0.6
327.05112	0.7
333.17380	0.6
359.11453	1.9
376.78632	0.6
387.10880	12.5
387.15561	0.7
388.11694	4.1
402.13260	13.4
403.14066	9.1
404.14706	0.9
417.15662	47.0
418.15924	4.9
459.10382	0.8
545.12592	0.7
565.19531	2.8
707.22046	13.2
708.22638	2.2
837.24744	0.7
869.27380	58.2
870.27637	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	867.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98720	18.3
68.99671	0.9
69.03335	1.0
70.61942	3.0
71.01274	34.9
72.99168	1.4
73.02830	10.2
74.80630	0.7
75.00758	1.1
78.95774	0.9
83.01276	8.8
85.02847	15.4
87.00768	3.4
89.02333	10.0
95.01293	3.2
96.95927	8.3
97.02847	2.6
99.00787	4.7
101.02349	26.4
111.00779	1.3
113.02358	15.1
114.10298	0.8
119.03453	4.4
119.04897	0.9
125.02371	4.5
129.01936	0.8
131.03383	1.4
133.02818	0.9
135.04411	1.2
137.02382	1.0
143.03424	2.4
149.02289	0.9
154.69008	1.0
159.02876	2.2
161.04518	4.1
161.61816	0.8
164.69160	0.8
209.11768	1.0
323.08914	0.9
425.34122	1.6
437.34216	1.3
501.35947	1.4
520.24261	1.1
619.42316	5.6
661.43329	10.5
662.43945	1.4
769.53156	1.0
781.47308	5.8
823.48651	100.0
824.49036	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.5
69.03359	0.5
69.52496	0.5
69.52898	1.6
71.01270	3.9
71.04917	0.6
72.99206	0.5
73.02827	1.3
80.02512	0.3
80.96418	0.5
82.42810	0.2
83.01291	0.7
83.04906	0.8
83.66305	0.2
85.02842	1.5
85.06489	0.6
87.00771	1.2
89.02349	2.2
93.03383	0.3
97.02840	1.7
99.00772	0.5
101.02344	4.5
103.38386	0.2
106.73443	0.3
109.06501	0.9
111.04430	0.7
111.08095	0.3
113.02368	2.0
113.03044	0.3
115.03923	0.2
119.03429	0.8
127.07521	0.4
131.03445	0.2
137.09615	0.6
138.04153	0.2
143.03555	0.3
145.05020	1.0
157.05066	0.3
161.04506	2.0
161.67281	0.3
167.10751	0.4
171.10243	1.2
177.12907	0.4
179.05620	0.4
179.14326	0.5
181.12343	0.3
195.13902	5.0
196.14249	0.3
197.11874	0.3
205.12349	0.6
221.15465	3.2
223.13387	1.4
233.15417	0.7
233.22754	0.5
235.08243	10.5
236.08565	0.6
237.18538	0.3
239.16599	1.1
247.20665	0.5
251.16588	0.3
253.09323	13.8
254.09889	0.6
261.14941	0.3
266.64987	0.3
273.18680	1.2
277.21777	100.0
278.22119	8.1
287.82663	0.3
291.19730	15.2
292.20020	1.2
309.20776	43.0
310.21136	3.3
513.30798	1.4
514.31702	0.3
527.28613	0.7
545.29889	0.9
569.42334	0.5
570.42084	0.3
865.50531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	7.9
71.01270	32.9
71.51577	1.9
72.99197	1.8
73.02835	6.3
75.00775	2.2
78.12414	1.6
83.01279	5.5
85.02850	16.8
87.00773	2.6
87.80869	1.8
89.02333	7.1
93.52888	1.6
95.01280	2.1
96.95907	6.2
97.02821	1.6
99.00775	3.0
101.02343	19.1
113.02329	13.3
125.02354	2.9
161.04477	2.4
165.05527	1.8
279.53976	1.8
295.56882	2.0
455.35495	22.1
456.35178	2.9
505.22205	3.0
599.39502	7.5
600.39777	2.3
617.40594	6.6
659.41638	19.0
660.42218	6.1
667.27374	2.1
728.63525	2.0
761.44678	2.7
779.46326	6.4
805.43359	4.6
821.47107	100.0
822.47534	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	863.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.0
69.03304	1.1
69.40537	7.9
71.01272	15.1
72.99184	2.2
73.02829	2.2
83.01261	2.2
85.02831	5.2
87.00758	3.1
89.02342	13.2
90.96087	0.8
95.01250	1.2
97.02839	2.7
98.20552	2.1
99.00787	1.3
101.02336	12.1
113.02376	4.8
119.03404	3.0
125.02356	3.8
161.04500	1.7
165.12769	4.1
179.05513	1.4
183.13887	37.0
184.14185	1.4
209.11871	1.5
220.41402	1.0
221.06706	1.8
227.12904	1.9
235.08221	2.5
255.23340	53.2
256.23636	4.0
335.98010	1.1
397.13638	6.0
415.14737	1.4
724.91425	1.1
863.50281	100.0
864.50537	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	863.503
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22118	0.3
61.98690	0.5
69.03329	1.1
71.01272	18.9
71.04925	0.3
72.99193	1.2
73.02837	2.9
78.27486	0.3
80.02556	1.0
81.03345	2.1
83.01279	2.1
83.04923	5.3
84.02061	0.5
85.02839	4.1
87.00775	4.1
88.01670	0.3
89.02336	12.3
95.01272	1.3
95.04911	1.0
97.02840	2.8
98.20556	0.8
99.00779	1.1
99.04427	0.3
101.02341	12.9
109.02834	0.6
109.06493	0.4
110.13793	0.3
111.04424	0.5
113.02360	7.0
115.03928	0.5
116.92789	0.4
119.03418	3.4
125.02368	5.4
125.05999	0.5
131.03410	0.5
133.05017	0.5
135.08081	0.9
139.03931	0.6
141.01636	2.1
143.03429	2.5
149.54675	0.4
161.04510	3.2
163.11250	4.2
165.12761	2.7
167.91422	0.3
171.39944	0.3
179.05597	3.1
181.12297	0.6
185.04556	0.5
191.10799	0.7
209.11821	100.0
210.12141	5.6
217.07159	0.7
221.06668	1.5
227.12880	12.2
228.13275	0.7
235.08261	5.7
250.79160	0.3
253.09314	0.7
255.23337	54.9
256.23645	3.8
259.08212	0.7
269.24948	0.5
287.07867	1.8
305.08853	2.2
323.09827	1.4
361.11493	0.4
379.12555	8.5
380.12811	0.9
397.13596	42.9
398.13922	2.9
415.14719	9.4
416.14948	0.6
456.36844	0.5
507.34607	0.3
589.25146	0.9
607.25916	0.9
635.37097	0.4
653.38434	1.7
763.67981	0.4
785.64429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	8.6
62.61373	0.5
69.03330	0.6
69.83855	2.1
69.84262	1.3
71.01277	7.3
72.99190	1.0
73.02836	2.5
75.00793	0.9
83.01281	1.6
83.17673	0.5
85.02854	3.2
85.03310	0.5
87.00770	0.9
88.98695	0.9
89.02343	2.8
93.03359	1.6
95.01303	0.6
96.95901	5.8
98.20445	0.8
99.00819	1.3
101.02350	4.3
102.02654	0.5
108.02119	0.8
109.02904	0.8
113.02360	2.5
116.92738	0.8
117.03385	3.0
119.03434	1.0
119.04938	1.9
121.02901	0.9
122.06024	0.8
125.02365	2.1
133.02875	0.9
134.03676	1.1
135.04446	2.3
137.02419	1.1
137.06010	69.4
138.06345	2.0
145.02907	1.5
149.02380	0.9
149.06046	1.3
150.03165	0.8
151.00374	1.2
151.03960	2.1
152.04669	1.2
161.02415	0.9
161.04477	1.3
163.03957	1.5
164.04745	1.5
165.05521	77.9
166.02673	1.5
166.05998	2.4
173.02393	1.7
178.06265	0.7
179.03435	0.7
179.05650	0.7
179.07068	1.1
181.04964	1.5
187.03966	0.7
189.01903	0.7
191.07150	1.7
195.06683	0.9
205.05182	0.7
207.45911	0.6
215.03461	1.4
216.11432	0.5
217.01456	0.7
225.43201	0.5
231.13670	0.6
261.75259	0.7
269.04605	2.5
271.06226	0.9
287.22528	1.1
293.04550	1.7
305.04523	1.2
306.05612	1.2
307.06342	2.7
335.05646	15.4
336.05881	1.8
338.04266	0.9
365.06860	1.1
393.17773	0.6
399.14551	1.1
399.23676	0.7
431.84940	0.6
439.19626	1.8
451.34888	0.7
455.09909	18.3
455.19412	2.0
456.10223	2.5
461.32745	1.8
464.31473	2.8
477.32199	0.7
479.33871	79.1
480.34167	9.4
575.14197	26.0
575.21039	0.6
576.14264	4.1
609.23798	1.0
626.02008	0.8
641.39178	100.0
642.39471	13.3
863.35748	4.5
864.38220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	1.4
62.21201	0.1
65.00214	0.4
69.03339	0.2
70.13908	0.8
71.01274	2.0
72.99219	0.2
73.02847	0.5
74.02294	0.2
75.00779	0.3
81.03355	1.6
83.01276	7.3
85.02850	1.0
87.00781	0.7
89.02338	0.5
92.86330	0.2
93.03360	0.8
95.01285	0.5
96.95930	0.8
97.02833	0.8
99.00787	0.5
99.04417	0.3
101.02355	1.3
107.01283	0.3
108.02105	0.8
109.02912	0.9
109.03512	0.2
112.35691	0.2
112.36514	0.2
113.02337	1.2
115.00291	0.2
116.92780	1.3
119.03439	0.2
119.04922	0.5
121.02865	0.4
123.04436	0.8
124.01553	0.3
125.02364	100.0
126.02696	2.6
133.02896	2.9
134.03632	0.2
135.04434	0.6
137.02383	1.4
139.03926	0.2
143.03412	0.2
145.02863	0.2
149.02396	1.1
149.06007	0.1
150.03125	0.3
151.00304	0.8
151.03937	0.3
152.01099	1.2
153.01822	0.7
159.04445	0.3
160.03954	0.2
161.02385	24.9
161.04520	0.7
162.02774	1.0
163.03914	0.2
164.04733	0.2
165.01837	0.7
165.05586	0.3
165.95479	0.2
167.03413	0.5
173.02432	0.2
175.03931	0.3
177.01872	1.1
177.05518	0.3
179.03574	0.3
179.05595	0.2
179.07104	0.3
180.04182	0.3
181.05014	0.3
191.03337	0.2
201.05447	0.4
203.03494	0.2
212.89365	0.2
243.06514	0.4
245.06659	2.4
246.06842	0.2
253.05008	0.2
269.04559	0.6
271.02493	0.2
271.06207	0.4
283.02579	0.2
285.04022	1.2
285.11484	0.2
286.04382	0.6
287.05530	2.1
287.08893	0.3
315.07449	0.4
327.08719	0.2
335.05728	0.4
353.15701	0.2
357.08331	0.2
371.10019	1.8
407.09940	0.3
449.10861	4.4
449.53973	0.2
450.11047	0.5
491.12027	3.6
492.12170	0.4
531.15051	0.3
533.13159	2.6
534.13373	0.3
538.78003	0.2
557.13007	0.7
575.14063	0.6
593.14966	0.4
638.15704	0.2
737.19330	2.1
863.22156	10.3
864.22357	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	861.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	1.8
68.13175	0.4
69.03328	1.3
69.41013	0.4
71.01270	13.1
71.38714	0.8
71.39083	0.9
72.99165	0.6
73.02827	3.5
79.30211	0.4
81.03338	0.6
83.01276	100.0
84.01609	2.1
84.50993	0.4
85.02839	5.8
87.00768	0.5
88.27628	0.4
89.02335	5.3
93.13051	0.4
95.01295	1.2
97.02852	3.6
99.00776	1.3
99.04418	2.9
101.02344	17.6
108.02114	0.7
109.02855	0.7
111.04469	0.4
113.02357	9.1
119.03432	1.4
119.04899	0.7
121.02868	0.7
125.02366	20.5
143.03461	2.4
149.02391	0.6
151.00275	0.6
152.01115	0.5
153.01884	0.4
153.05545	0.8
159.02917	0.8
161.02432	1.0
161.04488	9.5
167.03383	0.9
179.03401	0.6
179.05612	0.5
189.12825	2.3
203.05664	0.6
205.05194	0.4
207.13855	0.5
212.68803	0.4
213.29759	0.4
227.05664	1.2
245.06694	23.6
246.07016	1.1
269.06897	0.7
271.06107	0.6
284.03305	0.8
285.04193	2.8
287.05615	1.8
287.08038	1.4
369.19180	0.6
371.09912	14.8
372.10428	0.9
387.20328	3.8
413.11041	1.1
429.21274	0.8
449.11005	0.6
471.22443	24.7
472.22726	2.5
473.20377	0.6
489.10434	0.6
513.23383	2.0
861.25012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	6.4
64.53278	0.2
70.11617	0.4
70.12014	0.6
71.01260	2.0
72.99213	0.4
73.02835	0.7
75.00787	0.4
77.42737	0.3
83.01279	0.6
85.02852	1.0
87.00794	0.4
88.98692	0.4
89.02350	0.4
96.95925	0.9
99.00784	0.3
100.63481	0.3
101.02349	1.3
113.02357	0.7
116.92785	0.5
119.03367	0.3
119.04872	0.3
125.02465	0.3
135.04425	4.6
136.01662	0.3
137.06009	1.1
143.03471	0.4
145.02809	0.4
151.03973	0.7
161.02412	0.7
161.04538	0.5
163.03954	57.3
164.04634	4.4
165.05441	1.3
172.50290	0.3
176.04723	0.8
178.06310	64.4
179.03609	1.5
179.07043	11.2
180.07442	0.6
191.07175	0.4
193.08673	100.0
194.05865	2.3
194.08998	5.3
209.08174	10.6
210.08522	0.4
221.10239	0.4
222.24304	0.3
231.52917	0.3
291.42017	0.3
353.10382	0.3
395.11194	0.5
396.11789	0.4
403.17688	22.3
404.17929	2.2
409.12833	0.5
419.17438	1.4
445.18771	2.4
475.30634	0.4
476.30975	0.4
613.26733	5.3
614.26971	0.9
639.36627	1.0
817.44672	0.4
837.66656	0.3
861.34363	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	861.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89046	0.2
68.99712	0.3
69.03342	1.5
71.01273	6.1
71.01662	0.3
72.99207	1.2
73.02834	1.8
75.00806	0.3
81.03358	1.4
83.01273	2.3
85.02840	4.5
87.00784	0.4
89.02341	1.1
93.03352	0.5
95.01260	1.7
97.02849	3.8
98.55735	0.3
99.00785	2.6
99.04401	1.3
101.02359	2.8
108.02077	62.0
109.02882	16.1
110.03224	0.7
111.00769	0.4
113.02351	2.6
119.04950	0.3
121.02878	1.7
122.03639	0.4
123.00804	0.9
123.03645	0.2
123.04443	1.1
125.02364	13.2
126.02721	0.3
133.02858	0.7
134.03656	0.6
135.04472	1.5
136.38161	0.2
137.02350	0.6
145.02933	0.6
147.04428	0.3
149.02393	1.6
151.03955	1.5
152.01091	100.0
153.01880	8.4
157.09982	0.2
159.02980	0.3
161.02327	0.3
161.04524	1.8
163.03958	4.9
165.01895	0.5
165.05421	0.3
166.02670	0.4
167.03433	0.7
175.04016	0.5
177.01845	1.2
177.92993	0.2
179.03445	1.0
181.05037	0.4
185.12404	0.2
189.05652	0.2
193.05023	0.4
196.68158	0.3
205.04883	0.4
207.02971	1.0
217.05067	0.4
219.03061	0.3
271.08252	0.6
297.06204	0.5
315.07315	4.6
316.07724	0.4
345.62863	0.3
357.08365	1.1
429.10446	10.9
430.10776	0.8
441.08566	0.3
447.11511	18.3
448.11746	1.2
450.66687	0.3
471.11047	0.4
489.12613	8.9
490.12979	0.5
511.14859	0.6
529.15765	1.3
531.13708	1.3
555.13452	0.9
561.13281	0.4
573.14410	0.3
591.15961	1.3
633.17157	0.3
663.17389	0.4
707.37897	0.3
735.20142	2.3
843.22662	0.6
861.23236	46.0
862.23523	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	859.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	1.2
69.03338	1.1
70.71126	1.6
71.01269	25.6
72.01612	0.7
72.99199	1.2
73.02830	6.2
75.00767	0.6
81.03343	1.0
83.01276	100.0
83.04889	0.6
84.01620	1.4
85.02844	11.4
85.10737	0.4
86.03147	0.4
87.00788	1.3
89.02338	7.1
93.03310	0.6
95.01293	3.3
95.04912	0.6
96.95899	1.3
97.02852	4.7
98.18168	0.4
99.00783	2.7
99.04430	3.4
101.02347	29.3
107.04896	0.5
107.27688	0.4
108.02070	1.0
108.05709	0.5
109.02848	0.7
111.04414	0.8
113.02358	17.1
113.05977	1.1
118.61895	0.4
119.03415	2.1
119.04144	0.5
121.02850	0.5
122.03674	0.8
123.04398	0.9
123.08043	1.0
124.01611	0.6
125.02362	21.8
125.06039	0.6
126.02680	1.2
129.01877	0.8
131.03415	0.7
135.04410	0.6
136.05226	1.5
137.02361	0.8
138.06781	4.5
139.04030	0.4
139.07597	2.3
143.03464	2.8
147.04411	0.6
149.02428	0.8
149.06009	1.1
151.00340	0.8
151.04005	0.8
151.07602	5.7
152.01076	2.1
152.04700	0.5
152.08365	9.6
153.01860	0.8
153.05499	1.2
153.09152	31.2
154.09460	1.7
159.02963	1.1
161.02399	1.0
161.04494	12.1
161.09741	0.5
163.11261	0.7
165.09152	1.2
167.03424	1.5
167.07054	0.9
175.02393	0.6
175.03935	0.5
179.05518	0.7
187.11327	0.5
190.09933	0.9
205.12325	15.4
206.12617	0.7
223.13377	7.2
224.13638	0.5
227.05598	2.1
245.06694	43.4
246.07048	1.9
264.26694	0.5
268.03757	2.3
269.04477	2.8
269.07068	0.5
283.06244	4.3
285.04019	1.5
287.05215	0.6
287.07904	1.3
311.05814	0.5
338.03458	0.5
343.12000	1.2
367.17719	8.9
369.09930	1.8
371.09912	22.4
372.10434	2.1
385.18762	32.2
386.19049	3.7
413.10995	0.7
427.19843	9.4
428.20316	0.8
432.53052	0.5
453.17459	1.0
467.23026	1.1
469.20874	56.1
470.21133	5.8
473.20395	0.7
510.87619	0.5
511.21924	7.2
512.22321	1.7
529.23175	2.1
673.28046	0.7
698.92267	0.5
725.44830	0.5
766.42426	0.5
771.25812	0.6
859.32056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	3.8
67.00092	0.4
71.01263	5.3
71.54285	0.5
71.54678	0.6
71.55027	0.4
72.99204	1.1
73.02833	1.7
75.00752	0.4
83.01295	1.5
83.04888	0.4
85.02848	2.0
87.00758	0.9
88.98701	0.5
89.02335	2.7
89.03873	1.2
93.03365	2.8
95.01269	0.5
96.95913	3.2
97.02872	0.9
98.20475	0.4
99.00792	1.4
99.04443	0.4
101.02330	3.2
108.02054	0.6
109.02856	0.7
111.00784	0.9
113.02364	2.5
114.93329	0.4
116.92791	0.7
117.03380	2.9
119.03411	1.0
119.04951	1.4
121.02874	4.7
122.03654	5.3
123.04445	0.8
125.02367	1.1
128.03476	0.4
132.02121	2.2
133.02875	1.7
134.03664	57.3
135.04056	1.9
136.01620	1.1
137.02362	6.0
137.05991	0.9
139.03954	1.7
149.01241	0.6
149.02402	10.2
149.06026	10.9
150.03165	38.0
151.00279	0.5
151.03644	1.4
152.01093	0.7
160.01614	8.8
161.02324	0.5
161.04478	1.0
163.03943	2.8
164.04730	1.7
165.05519	36.9
166.05879	1.6
174.01628	0.4
175.03967	14.6
175.05489	0.9
176.04280	0.4
178.02678	17.2
178.06209	2.4
179.03203	0.8
179.07048	0.7
180.04260	2.8
181.04935	0.4
193.05032	100.0
194.05345	3.5
195.06606	24.8
195.08002	0.4
196.07048	0.5
205.04973	0.6
209.08058	0.5
223.06133	0.5
225.85614	0.4
239.07066	0.6
267.06784	0.4
269.04608	0.6
271.06116	0.7
282.09003	1.0
284.03333	0.4
296.21573	0.4
341.10324	5.4
342.10904	0.4
371.07031	0.6
371.11429	6.8
372.11691	0.9
389.12479	9.1
390.12958	1.2
437.17709	0.4
452.13943	0.4
487.18594	1.1
493.31836	0.6
655.37170	0.6
663.23083	16.1
664.23596	2.2
817.38477	0.4
859.30487	2.8
860.34277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	7.2
64.69484	0.5
65.11441	0.5
68.27425	0.5
69.03361	0.6
70.70245	0.6
70.71474	1.1
70.71816	0.6
71.01271	20.7
72.99197	2.1
73.02835	5.5
75.00745	0.7
81.03357	0.5
83.01265	4.4
83.04934	0.6
85.02843	9.6
87.00772	2.1
88.98677	0.8
89.02330	6.2
90.26176	0.6
93.03353	0.8
95.01264	1.6
96.95915	3.3
97.02874	0.9
99.00757	3.2
100.58022	0.5
101.02348	12.5
108.02066	1.1
109.02864	5.0
113.02355	7.5
116.92772	0.7
119.03402	1.2
119.04956	0.6
121.02876	1.5
123.04445	0.5
125.02389	3.3
131.03416	0.7
134.03702	0.7
135.04436	2.4
136.01598	0.6
137.02353	1.7
137.23611	0.5
139.03926	0.5
143.03433	0.8
149.02393	1.3
149.06038	0.5
150.03102	0.6
151.00356	1.2
151.03961	0.8
152.01031	0.8
153.01877	8.0
159.02908	0.6
161.02354	1.0
161.04466	2.0
164.04697	0.7
165.01862	0.7
165.05421	0.9
167.03493	0.7
174.01701	0.6
177.01842	0.7
180.04282	0.6
181.04881	0.7
190.02585	0.7
194.05653	0.5
195.02780	0.7
205.05099	0.7
223.06168	1.1
233.15054	0.6
253.04980	0.8
255.06676	1.6
269.04614	1.3
281.04816	0.6
283.06088	0.6
284.03308	0.8
285.04071	1.0
297.06155	5.6
299.05518	1.3
320.73901	0.6
341.13791	1.5
377.10156	0.9
395.11633	4.5
396.11880	0.7
425.09357	0.8
471.34860	15.5
472.34973	2.5
503.19379	1.0
545.13318	1.1
557.49585	0.7
615.38898	2.8
633.40192	18.6
634.40747	3.2
693.18152	9.5
694.18604	1.9
758.66949	0.7
795.45508	100.0
796.45880	19.7
855.25537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98727	0.2
65.03850	1.0
67.01777	0.5
69.03343	0.5
69.25720	1.3
69.26122	0.2
71.01279	0.6
71.04899	0.2
72.13301	0.1
80.02565	0.4
83.01249	0.2
85.02834	0.2
85.04998	0.1
85.55740	0.2
89.02332	0.4
91.05424	3.0
93.03368	0.8
95.01292	0.4
96.95916	0.6
97.02849	1.3
101.02348	0.4
107.04932	0.2
108.02081	4.7
109.02873	11.7
110.03241	0.2
113.02362	0.3
113.75957	0.2
119.04928	0.3
121.02872	12.4
122.03716	0.5
123.04433	0.4
133.02892	2.1
134.03673	4.0
135.04451	21.6
136.04771	0.8
146.03662	0.3
147.04460	5.4
147.08092	2.3
148.05275	2.6
149.02556	0.2
149.06038	0.4
159.04431	0.5
160.05226	1.0
161.06020	5.3
162.06322	0.2
162.59732	0.2
163.07631	0.4
169.10172	0.2
171.08133	0.2
172.05261	0.3
173.06017	3.1
174.06686	0.5
175.07701	0.8
176.08342	0.4
177.09172	6.2
178.09506	0.3
186.06833	0.5
187.07544	0.3
188.08363	0.5
189.09186	14.2
190.09572	1.1
191.10719	0.3
197.06126	0.6
199.03990	0.2
201.09190	1.3
203.10764	17.3
204.11118	1.0
211.07602	0.3
213.09140	0.2
214.06282	0.2
215.07161	0.5
215.10780	5.2
216.11485	1.5
217.11952	0.2
219.38649	0.2
227.03578	0.2
227.07199	0.2
235.17039	1.2
238.06383	0.6
239.14395	0.2
241.05133	1.8
242.05748	0.2
252.07979	0.2
253.09357	2.0
255.06685	0.6
255.14006	0.4
256.07443	4.1
257.07907	0.4
267.06757	0.3
275.20282	1.0
281.15506	0.5
283.09793	0.2
283.13379	0.8
293.21310	6.1
294.21664	0.5
307.13464	1.4
310.12149	0.4
325.14517	100.0
326.14874	9.9
326.18869	0.2
549.05164	0.2
551.09558	0.2
592.27795	0.2
716.49451	0.2
725.85944	0.2
795.44739	0.2
855.46771	0.3
856.46307	0.2
869.87225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	0.9
63.02269	3.3
65.00209	27.7
71.01281	1.3
71.53474	1.8
75.87579	0.9
83.01279	12.8
93.03356	5.5
93.03851	0.9
96.95903	3.8
98.12022	0.8
107.01292	35.0
109.02872	0.9
109.87157	1.0
117.03372	1.6
119.04943	30.7
120.05219	0.9
125.02376	5.8
131.01488	1.0
133.02962	0.9
135.04440	15.4
136.42448	1.0
143.04893	1.3
145.02922	5.1
151.00313	100.0
151.42989	0.9
152.00616	3.8
161.02460	1.1
162.40234	0.9
165.01868	3.5
168.31766	0.9
169.01338	3.1
175.00322	1.6
177.01842	6.9
185.05980	1.8
187.03969	2.1
227.07047	1.9
231.14470	0.9
271.06183	39.0
272.06494	2.4
277.21753	2.5
313.07330	1.5
355.06653	2.0
475.12424	1.5
577.15521	1.0
595.16595	1.1
683.11932	1.1
719.32532	4.7
735.32373	6.2
736.33185	1.4
813.04596	0.9
855.38251	55.4
856.38873	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	855.383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	0.9
62.33927	0.4
62.88795	0.4
63.02271	3.3
65.00212	22.2
65.17721	0.4
67.88341	0.4
68.99709	0.6
71.01273	0.9
74.70959	0.5
78.95798	0.6
81.03354	1.0
83.01276	10.1
93.03362	6.1
94.03728	0.4
96.95915	2.8
107.01300	31.3
108.01587	0.6
116.92781	0.9
117.03381	2.1
117.05807	0.5
119.04953	38.7
119.08267	0.5
120.05304	1.0
121.02836	0.6
124.01588	1.1
125.02369	10.2
129.66411	0.4
133.02872	0.5
136.01656	0.6
137.02393	1.0
137.06024	0.6
143.04971	1.7
145.02893	5.3
149.02406	1.4
149.99556	0.5
150.26964	0.5
151.00317	100.0
152.00636	3.2
153.01889	1.6
159.04684	0.5
161.05948	1.0
163.00281	0.5
164.01128	0.8
165.01889	4.6
165.05539	0.9
167.03529	0.6
168.00620	1.0
169.01405	2.9
171.10315	0.9
175.00349	1.6
177.01892	8.5
178.02234	0.5
185.06078	1.9
187.03973	2.9
193.01431	1.0
195.99973	0.5
197.11812	0.5
217.23987	0.4
227.07207	2.8
229.05136	0.6
230.32666	0.8
235.02571	0.8
271.06186	42.7
272.06573	2.7
309.20911	0.8
313.07233	0.6
339.07315	1.1
459.12735	1.9
561.16052	0.8
579.17444	1.0
735.32538	7.9
736.32245	1.7
837.36139	0.6
855.38220	74.6
856.38507	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	851.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	9.9
61.98717	23.0
65.33522	1.0
68.99694	2.4
71.01271	22.7
71.52407	2.6
72.12353	1.5
72.99183	2.5
73.02834	4.3
75.00764	12.8
78.95796	2.9
83.01281	3.5
85.02850	18.7
87.00777	1.8
89.02336	4.6
95.01272	2.8
96.95911	3.4
96.96888	1.4
99.00768	13.3
101.02303	1.7
113.02364	7.0
115.00278	1.4
123.77264	1.4
157.01349	1.4
187.07629	1.1
204.48302	1.1
217.38887	1.0
237.35632	1.0
240.14418	1.1
249.95271	1.4
279.69778	1.4
435.68170	1.3
465.37534	1.6
555.78088	1.2
851.48254	100.0
852.31976	1.8
852.48456	22.7
852.63928	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	853.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82157	0.1
60.23785	0.1
65.03846	1.9
67.01778	0.6
68.95832	0.1
71.01279	0.2
71.09857	0.2
77.36787	0.1
84.55845	0.1
89.02348	0.1
91.05428	5.0
92.05772	0.1
93.03352	1.5
95.01289	0.1
101.02361	0.2
103.05436	0.1
107.04938	0.3
108.01369	0.2
108.02078	1.9
109.02863	26.4
110.03197	0.9
111.00799	0.1
113.02382	0.2
117.70174	0.1
119.04949	0.2
121.02875	7.3
121.06593	0.1
121.35955	0.1
122.03268	0.3
123.04454	0.2
133.01971	0.2
133.02892	1.6
134.03687	0.5
135.04448	39.5
136.04779	1.5
146.03752	0.1
147.04456	10.6
148.04947	0.5
149.05893	0.1
159.04482	2.7
160.05241	0.7
161.04703	0.1
161.06033	0.3
161.98715	0.1
163.07578	0.6
171.04382	0.1
173.06058	0.4
175.07620	1.3
176.08388	0.4
177.09215	0.5
185.06114	0.1
187.07614	0.6
188.08444	0.6
189.09166	1.4
190.09918	0.3
191.10748	3.6
192.11128	0.2
197.06097	0.2
199.07661	0.2
200.08250	0.1
201.05502	0.2
201.09193	1.1
202.09982	1.2
205.12364	0.1
207.08151	0.2
209.06134	0.2
210.06871	0.2
211.07596	0.2
213.05495	0.2
213.09145	0.4
214.09950	0.3
215.10779	1.7
216.07944	0.1
216.11145	0.1
217.12340	5.8
218.12646	0.4
221.06088	0.2
223.07512	0.1
225.05615	0.1
225.09177	1.0
226.09679	0.2
227.07074	0.7
229.12439	0.1
235.08076	0.2
237.05772	0.1
237.09171	1.4
238.13690	0.2
239.07175	1.1
241.08713	0.2
241.12270	0.2
251.07188	0.3
253.05325	0.1
253.09225	1.6
254.05872	0.3
254.13174	0.5
255.06679	0.4
255.13722	0.2
256.11075	0.6
262.13690	0.2
263.07227	0.8
263.09973	0.1
265.12335	0.8
266.05850	0.2
267.06839	0.2
267.10291	0.3
269.08270	1.1
269.15506	0.4
270.09018	0.2
271.13519	0.2
271.17102	0.6
277.21768	7.9
278.22086	0.5
279.13876	0.4
280.11996	0.1
280.14679	0.7
281.08270	4.3
281.11679	0.4
282.08578	0.3
282.12680	0.6
291.10437	0.2
295.09982	0.4
295.12997	0.1
295.17123	0.2
296.14392	0.1
297.14993	0.8
305.11938	0.2
306.12720	1.5
307.13226	0.5
309.11353	2.6
310.11829	0.3
311.16653	0.3
321.14984	2.2
322.15475	0.3
323.12915	0.6
324.13696	2.5
325.14069	0.2
339.16068	100.0
340.16409	9.7
488.09238	0.1
704.86639	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	851.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	44.7
59.14808	0.2
60.01598	0.6
61.98714	2.6
65.00191	0.4
69.53660	1.4
69.54075	0.4
71.01273	2.7
72.99191	0.4
73.02839	0.9
75.00787	0.3
83.01273	1.3
85.02855	1.1
87.00784	0.7
88.98697	0.5
89.02354	1.1
93.03363	0.8
95.01311	0.4
96.95920	1.3
101.02335	1.8
107.01294	0.5
107.04928	0.3
108.02084	0.7
109.02875	1.0
113.02338	1.1
117.03419	0.3
119.03478	0.4
119.04983	1.3
121.02874	0.8
123.04455	0.4
124.01582	0.3
125.02374	5.0
126.02680	0.3
133.02841	0.6
134.03661	0.5
135.04463	1.2
136.01587	0.3
137.02370	0.9
143.03450	0.3
145.02872	0.4
149.02380	0.7
149.05997	0.5
150.03171	1.1
151.00319	1.5
151.03944	2.1
152.01056	1.2
153.01892	0.5
160.03983	0.5
161.02388	13.6
161.04539	0.9
161.71129	0.3
162.03001	0.8
163.03976	0.5
165.05582	1.5
166.05037	0.3
167.03441	0.5
175.03937	0.5
176.04741	10.8
177.01863	0.8
177.05396	0.7
179.03453	22.5
180.04250	3.1
181.04967	0.6
187.11151	0.4
190.02602	0.5
190.05920	0.3
191.07108	5.7
193.01276	0.3
193.05049	0.4
194.05820	34.4
195.06593	16.6
196.06883	0.5
201.11339	0.3
205.05014	0.4
209.08180	100.0
210.08513	5.0
223.06374	0.3
234.05881	0.3
269.04733	0.5
271.05954	0.4
285.04068	0.9
287.05716	0.8
299.05624	0.6
315.07770	0.4
319.35156	0.3
419.17212	19.4
420.17535	1.9
545.12292	0.4
546.12988	0.3
629.26147	18.0
630.26361	3.4
810.40900	0.3
851.27448	1.0
851.41748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	19.8
61.98717	2.7
65.00201	0.5
68.28979	0.3
68.99679	0.3
69.03338	1.1
71.01273	15.4
71.56577	0.4
72.99200	1.0
73.02836	3.3
75.00774	0.7
81.03338	0.8
83.01278	100.0
84.01615	1.3
85.02844	6.4
87.00775	1.0
87.46661	0.3
88.98714	0.3
89.01826	0.5
89.02338	5.7
91.01791	0.3
91.05438	0.3
93.03353	1.0
95.01291	1.6
96.95918	2.1
97.02860	4.2
98.95493	0.4
99.00790	1.3
99.04407	2.5
100.49639	0.3
101.02346	17.5
102.02653	0.3
106.63038	0.3
107.01304	0.8
108.02078	1.2
109.02868	2.4
111.00793	0.4
111.04406	0.5
113.02355	9.6
117.03366	1.8
119.03448	1.9
119.04920	0.8
121.02853	1.1
123.00746	0.5
123.04422	1.1
125.02367	21.5
126.02692	0.7
128.03404	0.3
131.03429	0.7
133.02890	0.6
134.03593	0.3
135.04456	4.5
137.02379	0.9
143.03433	2.9
147.04445	0.9
148.05307	0.4
148.12926	0.3
149.02412	2.2
149.04443	0.3
150.03116	0.6
151.00299	2.0
151.03918	0.5
152.01057	0.8
153.01839	1.0
153.05521	0.8
155.03430	0.9
159.02901	0.9
159.04303	0.4
161.02359	0.9
161.04503	9.7
163.03949	1.0
164.04678	0.6
165.01941	0.6
165.05501	0.9
166.83931	0.3
167.03447	1.4
169.05107	0.3
175.00278	0.8
175.02502	0.4
175.03966	0.3
176.01115	2.3
177.01868	0.9
177.05505	0.4
179.03505	0.5
179.05569	1.9
180.04202	0.7
181.04967	0.6
181.06433	0.3
185.04483	0.4
190.02708	2.7
191.03464	0.8
193.08635	0.9
195.06529	0.6
203.05632	1.0
205.03276	0.5
205.05014	3.6
209.04526	0.4
211.04037	0.5
212.04726	0.3
223.03954	0.4
223.06067	1.1
224.04677	0.4
225.05501	0.8
226.02937	0.3
227.03516	0.6
227.05611	1.2
239.03510	1.1
240.04242	1.0
241.04939	0.5
245.06693	20.7
246.06940	0.9
253.04861	0.4
267.02960	1.3
268.03821	11.1
269.04587	41.2
270.04926	4.0
271.06241	0.5
283.06070	0.5
287.07751	1.1
297.04025	0.3
297.07669	0.5
311.05804	0.8
315.07193	0.8
315.12411	2.7
329.08615	0.5
367.10294	1.8
371.09912	12.5
371.20660	0.8
372.10257	1.2
387.20074	0.3
399.76706	0.3
405.21524	0.4
413.09366	1.3
431.09863	13.6
432.10309	1.6
439.19846	1.1
452.04004	0.3
455.23022	23.2
456.23401	2.7
473.11008	13.2
473.20425	1.7
474.11224	1.6
497.23938	1.4
515.12012	3.2
516.11963	0.7
545.13226	0.4
579.55658	0.4
683.23608	7.0
684.24011	1.8
719.18530	0.9
780.78815	0.4
789.06628	0.4
801.33728	0.5
801.86029	0.5
845.23334	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	845.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	11.3
61.98722	6.0
62.48404	0.7
65.00195	0.8
71.01266	8.9
71.04926	0.7
71.54350	1.3
72.99189	1.2
73.02833	2.8
80.92941	0.7
81.21178	0.8
82.31668	0.7
83.01273	2.7
84.34192	0.7
84.77185	0.7
85.02833	4.2
87.00764	2.3
89.02344	4.9
93.03345	4.3
95.01266	1.7
95.94386	0.6
96.95901	2.8
97.02837	1.0
99.00775	2.4
101.02331	5.2
106.23999	0.7
108.02017	1.6
109.02861	3.2
113.02380	4.2
115.00257	1.1
116.92749	1.0
117.03364	3.0
119.03407	1.1
119.04942	3.2
121.02860	2.7
122.03645	1.7
123.00801	1.5
123.04388	1.6
124.01565	1.3
125.01532	0.7
125.02373	4.5
131.03397	0.7
133.02899	1.0
135.04445	2.1
136.01591	47.4
137.02419	9.6
137.05966	1.7
139.00272	0.8
139.03957	1.4
145.02914	1.2
149.02370	2.4
149.06024	3.0
150.03178	3.6
151.00334	10.7
151.03943	69.8
152.01059	3.4
152.04344	2.5
153.01788	1.3
159.04532	0.9
160.01628	0.9
160.05222	1.6
161.02377	1.3
161.04515	1.7
161.05988	0.9
163.03917	1.8
164.04759	1.1
165.01912	1.0
165.05556	5.3
166.02667	34.8
167.03328	3.2
173.02403	2.1
174.03131	1.0
175.02553	1.2
175.03944	2.9
175.07619	1.2
176.04614	0.9
177.01855	2.2
177.05544	1.1
179.03529	1.6
179.05547	1.3
181.05025	49.1
182.05385	2.2
187.03880	1.8
189.01866	1.1
189.05501	2.8
190.02702	0.8
190.06311	2.6
191.03400	2.3
191.07152	1.0
193.05037	2.3
194.05791	1.2
195.06606	3.0
203.06984	1.0
205.05054	2.2
205.08737	1.8
206.05794	3.2
207.06554	2.0
209.08115	1.7
217.01379	0.9
219.04642	1.0
219.06602	1.1
220.07420	2.0
221.08167	6.5
223.06032	1.0
231.16435	0.8
241.01239	0.9
269.04599	1.4
271.06137	1.8
282.05139	0.9
283.06198	1.0
287.22363	3.5
297.07895	1.7
305.04547	1.1
306.05450	1.3
307.06104	1.6
309.07825	2.1
312.06500	0.9
315.21826	0.7
324.09961	2.1
326.11618	1.0
327.08957	1.5
327.12549	1.2
329.10358	2.0
335.05701	4.9
342.11072	7.2
343.08304	1.2
354.11304	1.0
357.09750	11.5
357.13547	30.6
358.09933	0.9
358.13812	2.5
365.06717	1.3
369.13583	2.5
371.15173	1.6
372.12259	13.2
373.12845	1.9
387.14563	100.0
388.14856	9.1
401.15753	1.1
425.08856	11.3
426.09409	1.4
439.19806	1.7
455.09976	3.0
455.19711	0.9
473.20328	2.2
535.19794	1.1
545.13159	22.7
546.13501	2.9
567.22510	10.7
568.22485	2.0
579.22791	1.1
583.21973	2.0
597.23541	61.0
598.23804	11.4
683.39697	0.9
845.32794	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	845.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00994	1.1
59.01263	12.3
65.79423	0.5
69.03340	1.0
71.00899	1.0
71.01271	15.9
72.99181	0.8
73.02826	3.2
81.03352	1.2
83.01276	100.0
84.01624	1.5
85.02840	7.5
87.00774	0.6
89.02345	1.6
90.83668	0.7
93.03373	1.5
95.01260	1.7
96.95911	0.9
97.02866	4.7
99.00770	2.2
99.04408	3.1
101.02345	28.8
108.02068	1.1
109.02837	1.1
111.04420	0.7
113.02357	12.4
114.83389	0.7
117.03367	0.9
123.04436	0.6
125.02364	23.3
131.03406	0.6
135.04424	1.7
137.02377	2.5
137.05983	0.9
143.03448	3.6
143.56215	0.6
149.02429	0.8
151.03973	2.2
153.05482	1.5
159.02959	1.4
161.02399	9.5
161.04489	11.4
163.04004	0.6
164.04655	0.6
167.03445	1.8
176.04742	6.7
179.03453	16.1
179.04938	1.2
180.03862	0.8
191.07124	4.1
194.05815	19.7
194.70100	0.6
195.06403	0.7
203.05565	1.0
205.03368	0.6
209.08186	38.0
210.08586	1.8
227.05652	2.2
243.08804	0.8
245.06697	55.2
246.06955	1.6
283.06253	0.9
287.07843	4.4
311.05750	2.7
371.09906	16.9
372.10214	1.8
377.89160	0.6
413.11032	2.2
426.03055	0.6
431.09848	2.9
455.15512	2.7
876.65845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29028	25.4
70.71323	76.9
75.72195	26.6
97.50372	25.7
103.85216	28.5
112.52545	26.6
113.94582	27.7
120.87921	31.0
160.19034	27.4
223.00629	27.4
253.09396	34.2
277.21710	92.8
309.20743	84.7
313.93933	29.4
337.75403	28.9
338.23688	30.8
362.07111	32.2
413.17755	30.0
763.50458	38.0
841.48700	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	843.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	27.1
61.98723	9.4
69.77697	1.6
70.55125	1.6
71.01270	46.2
71.52235	2.5
72.99192	3.2
73.02844	13.9
75.00759	2.7
76.10274	1.3
76.99305	1.2
78.95785	1.5
79.67968	1.2
83.01274	11.3
85.02850	21.5
87.00783	5.1
88.98724	1.3
89.02332	11.4
93.03345	1.7
95.01292	5.1
96.95909	17.6
97.02844	2.9
99.00780	5.9
101.02343	28.5
108.02077	2.1
108.61586	1.5
109.02843	2.1
113.02363	19.0
116.92800	1.7
119.03426	4.0
119.04960	2.5
121.02911	4.0
123.04437	1.8
125.02396	6.1
130.48538	1.4
135.04448	4.1
137.02409	2.4
137.05978	3.2
143.03468	2.6
147.04381	1.8
149.02391	3.0
149.06117	2.1
151.00304	1.5
152.01089	1.6
153.85321	1.4
160.03966	1.6
161.02448	1.6
161.04527	8.1
163.07578	2.4
164.04646	1.3
165.05507	3.6
179.05521	1.6
223.06290	1.7
271.06244	1.5
285.04065	1.4
287.22351	10.2
291.44485	1.5
323.12955	1.8
335.09698	1.5
365.10281	4.0
373.26105	5.5
395.11600	2.1
395.76389	1.6
537.21179	1.6
579.16052	1.8
625.30408	1.5
652.44244	1.4
681.26459	6.8
783.49170	100.0
784.49518	19.8
843.31714	4.5
844.32507	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	839.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	13.3
61.98730	5.8
71.01266	20.1
73.02825	4.9
75.03690	1.1
80.92370	1.2
83.01279	3.2
85.02848	7.8
87.00784	1.5
88.98679	1.7
89.02325	5.1
95.01283	2.5
96.95895	2.8
97.02834	1.5
99.00786	2.4
101.02353	15.1
113.02381	7.3
119.03405	2.0
125.02382	1.3
135.04442	1.6
149.05940	1.3
161.04485	3.3
191.07059	2.3
263.30597	1.4
385.31631	1.1
417.01440	1.3
455.29459	1.6
455.35422	19.9
599.39862	1.9
617.40826	17.3
618.40979	3.2
751.38403	1.2
779.46014	100.0
780.46442	19.9
780.60791	2.3
839.29291	1.8
839.47253	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	838.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.7
60.01592	0.8
61.01690	0.4
61.98717	100.0
62.87299	0.1
62.98420	0.2
63.08644	0.1
71.01270	0.8
73.02843	0.2
76.35011	0.1
78.95803	0.3
83.01285	0.3
85.02845	0.2
86.64788	0.1
87.00773	0.2
89.02328	0.2
93.03362	0.2
95.01318	0.1
96.95910	0.6
101.02366	0.4
108.02076	0.3
109.02878	0.3
113.02344	0.3
115.25439	0.1
116.92776	0.2
119.04891	0.2
125.02398	0.4
133.02847	0.1
135.04462	0.3
137.06032	0.2
145.02887	0.1
151.00366	0.2
151.04002	0.2
152.01016	0.1
153.01929	0.2
161.02357	0.1
161.04591	0.1
163.03983	1.1
164.04362	0.5
165.05582	0.2
177.01912	0.2
178.06293	1.2
179.06757	0.9
180.07072	0.3
181.07509	0.1
193.08690	2.6
194.09038	1.7
195.09335	0.6
201.09216	0.2
209.08214	0.5
210.08566	0.2
226.15944	0.1
229.73355	0.1
239.42857	0.2
269.04541	0.2
315.07333	0.3
395.11758	0.1
403.17801	0.4
404.18140	0.8
405.18268	0.5
406.18808	0.2
477.32330	0.2
614.27362	0.2
615.27167	0.2
616.27734	0.3
617.40607	0.3
647.09601	0.1
838.47943	0.2
839.32379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.6
59.08424	0.1
61.98712	0.2
63.02279	2.7
64.02596	0.1
65.00208	22.4
65.03825	0.2
66.00535	0.3
68.99698	0.6
70.76575	0.3
71.01253	0.3
81.03355	0.5
83.01274	9.9
84.01638	0.3
85.02802	0.2
87.00757	0.2
88.08578	0.1
89.00230	0.3
91.01802	0.3
93.03358	5.5
94.03712	0.2
96.95911	0.4
97.02814	0.2
107.01292	31.1
108.01601	0.6
108.02193	0.4
108.99208	0.4
109.02843	0.4
117.03384	2.0
119.04942	37.3
120.05282	1.4
121.02867	0.5
123.00864	0.3
124.01604	0.2
125.02360	6.0
127.79588	0.2
130.68529	0.2
131.01279	0.4
133.02847	0.7
135.00789	0.6
136.01588	0.4
137.02356	0.6
143.04961	1.6
144.55222	0.1
145.02887	5.9
149.02370	0.8
149.99545	0.4
151.00305	100.0
152.00630	3.2
153.01849	0.2
157.06552	0.3
161.06015	1.0
162.99106	0.1
163.00262	0.9
164.01056	0.9
165.01857	4.0
166.02592	0.3
167.03479	0.3
167.04884	0.2
169.01378	3.2
171.04474	0.1
175.00330	1.9
177.01884	8.8
178.02242	0.4
179.03421	0.2
181.05016	0.3
185.06047	1.8
187.03978	3.2
189.01938	0.3
190.99948	0.2
193.01358	0.9
196.00089	0.6
199.07536	0.4
201.05600	0.2
201.11331	0.5
202.11607	0.2
203.07111	0.3
205.01398	0.5
207.03017	0.2
209.05988	0.2
217.01337	0.2
225.05707	0.2
227.07120	2.4
228.07494	0.2
229.05049	0.7
233.04451	0.2
235.02377	0.7
241.05083	0.2
252.44458	0.2
253.04982	0.4
269.04626	0.6
270.05212	0.4
271.06168	37.5
272.06497	2.3
277.21774	1.4
295.06381	0.2
313.07172	0.5
339.07266	1.1
384.87091	0.2
417.15817	0.3
441.10559	0.4
459.12820	1.4
561.16345	0.7
579.17200	1.1
719.32977	9.8
720.33502	1.4
839.38745	56.3
840.39026	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.9
61.98722	0.4
65.56768	0.1
69.03345	0.8
69.94956	0.1
71.01273	3.1
71.04908	2.0
72.99216	0.2
73.02811	0.7
73.62330	0.1
75.00784	0.1
81.03362	0.5
83.01286	0.5
83.04924	1.6
84.02033	0.2
85.02842	1.2
85.06482	1.7
87.00778	0.6
87.04405	1.0
89.02335	2.5
89.02839	0.2
95.01288	0.3
95.04935	0.5
96.95917	1.0
97.02847	0.9
97.06480	0.8
98.03635	0.2
98.19682	0.3
99.00779	0.2
101.02350	3.4
101.05986	0.2
106.04153	0.3
109.06502	2.1
110.03710	0.2
111.04426	1.2
111.08048	0.8
112.05248	0.2
113.02368	1.6
113.06003	0.3
113.92042	0.1
119.03420	0.7
119.04818	0.1
123.04433	0.2
123.08064	0.2
125.02385	0.2
125.09631	0.2
127.07576	0.7
129.09135	0.3
131.03418	0.2
135.11761	0.2
137.09686	0.4
143.03441	0.4
145.05020	0.1
149.09712	0.2
153.04544	0.1
161.04495	1.8
161.13356	0.2
164.86191	0.1
167.10745	0.7
169.12312	0.4
171.10211	0.6
177.12825	0.5
177.16388	0.2
178.74164	0.1
179.05602	0.5
179.10747	0.5
179.14391	1.8
181.12347	0.6
183.13882	0.3
189.16443	0.2
193.12288	0.2
195.13884	12.9
196.14227	0.8
197.11809	0.2
205.12299	1.0
207.13884	0.2
211.13402	0.1
217.15956	0.5
218.16626	0.2
219.13992	0.1
221.15472	7.9
222.15823	0.4
223.13397	4.9
224.13702	0.3
229.19666	0.6
233.15472	1.0
235.08266	1.1
235.17030	0.8
237.18529	0.3
239.16574	2.8
240.16782	0.2
247.20723	1.3
251.16536	0.9
253.09329	23.1
254.09729	0.7
259.13605	0.1
263.20258	0.2
265.18155	0.1
273.18680	1.6
275.20111	0.1
277.21719	0.2
281.21216	0.3
289.18213	0.2
291.19724	29.2
292.20038	2.4
292.44696	0.1
293.21210	0.3
309.20776	100.0
310.21121	7.6
327.21890	0.3
459.22668	0.2
527.28760	0.4
545.29755	3.8
546.30060	0.3
601.41199	2.0
602.41382	0.4
837.49817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.7
59.01264	36.8
61.98719	6.4
68.99704	0.8
69.03331	1.8
71.01270	43.1
71.36050	0.8
72.01588	0.6
72.99196	4.3
73.02837	5.8
75.00758	0.6
81.03346	1.5
82.95291	0.4
83.01285	4.3
83.12575	0.4
84.02071	0.7
85.02841	32.3
86.03185	0.8
87.00769	12.5
89.02336	28.4
90.02703	0.5
93.03371	0.5
95.01284	12.3
96.95949	0.8
97.02850	4.3
99.00784	2.7
99.04431	1.0
101.02345	24.8
109.02850	1.1
111.00797	1.0
111.04407	0.8
113.02356	64.8
114.02700	1.6
115.03920	1.1
116.42049	0.5
119.03416	6.6
121.02829	0.5
125.02373	8.5
131.03423	1.1
135.04475	0.7
137.02361	0.9
137.75166	0.4
139.00296	0.7
143.03442	11.6
149.02440	0.4
149.04483	0.6
151.03949	0.6
155.03476	0.4
161.04507	15.2
163.03845	0.4
167.03421	0.7
179.05562	6.4
190.16899	0.4
203.05490	0.4
209.04594	0.7
220.58473	0.4
221.06668	1.3
235.08241	6.1
247.08273	1.5
253.09291	2.1
277.21796	18.5
278.22150	1.1
293.75180	0.4
305.08844	1.2
323.09860	0.8
333.17981	0.4
361.11548	0.5
379.12491	1.3
383.12125	1.3
397.13611	6.8
398.14148	0.7
415.14676	6.9
425.12378	0.4
449.13058	1.1
459.76175	0.5
467.14236	0.5
485.15244	1.5
541.18146	1.6
559.18896	100.0
560.19269	10.4
577.19971	23.9
578.20428	2.6
837.41992	2.7
838.42200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.5
63.02273	1.7
63.02535	0.2
65.00209	0.9
69.47112	1.1
71.01279	0.5
72.99184	0.2
83.01273	0.3
85.02843	0.2
89.02335	0.3
96.95908	0.7
101.02366	0.3
105.03349	0.2
107.01298	2.2
117.03379	4.1
118.03699	0.2
121.02826	0.2
121.90783	0.1
135.04454	0.3
135.68106	0.1
136.47878	0.1
140.67175	0.1
147.00734	0.1
148.01598	0.1
148.50140	0.1
149.02385	1.2
151.00319	1.2
157.06554	0.2
159.04466	1.6
161.02390	1.0
167.05014	0.2
169.06506	0.5
171.04480	0.3
173.05959	0.2
180.05748	0.3
181.06493	0.4
183.04463	1.0
194.42671	0.1
196.05298	0.4
197.06062	0.7
199.03973	0.4
201.05592	0.7
201.11325	2.0
203.03450	0.2
206.05074	0.1
207.41750	0.1
211.03976	0.3
212.04645	0.2
224.04776	0.5
225.05606	1.5
227.03545	0.7
239.03505	0.6
240.04272	0.7
241.05072	0.2
255.23337	0.4
267.02921	0.3
268.03830	12.2
268.77725	0.1
269.04602	100.0
270.04947	7.3
277.21655	0.3
293.04498	0.2
311.05521	0.3
397.13608	0.6
413.09042	0.2
415.14868	0.2
559.14703	0.3
577.15436	0.7
673.29932	0.3
837.37213	32.9
838.37555	8.0
852.76807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01602	0.8
61.98722	1.8
71.01276	1.1
71.39761	0.2
73.02836	0.3
73.23816	0.1
76.29135	0.1
83.01251	0.2
85.02840	0.5
87.00776	0.2
89.02351	0.2
93.03391	0.2
96.95913	0.3
99.00734	0.1
99.04372	0.1
101.02358	0.5
109.02901	0.1
113.02359	0.5
121.02869	0.3
125.02368	0.5
135.04431	1.5
145.51865	0.2
149.02376	0.2
151.00290	0.3
151.03926	0.2
153.01855	0.2
161.02379	0.3
161.04520	0.6
163.03951	24.2
164.04709	2.1
176.04759	0.4
178.06308	32.3
179.03648	0.7
179.07085	11.1
180.07422	0.4
191.07245	0.3
193.08670	65.1
194.05896	1.3
194.08992	2.9
205.05014	0.2
209.08173	8.7
210.08553	0.3
211.73505	0.1
231.36639	0.2
271.06354	0.2
315.12173	0.2
403.17688	22.4
404.17978	2.2
412.11591	0.2
419.17239	2.4
420.17542	0.2
427.13919	0.6
428.14044	0.1
613.26636	11.2
614.27075	1.6
721.82654	0.2
834.88684	0.5
835.39618	0.3
835.88507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08585	0.3
59.01271	2.9
61.98720	1.1
62.80340	0.4
62.96292	0.7
70.86076	1.4
71.01281	1.0
74.65784	0.3
78.95794	97.5
79.95632	0.4
80.96394	0.9
92.92702	9.8
94.92405	0.6
96.96861	22.1
116.97169	7.5
125.02347	0.4
130.93497	0.4
134.98463	1.4
141.01645	2.2
152.99525	25.3
153.99915	0.5
205.94603	0.4
220.91150	0.4
223.00121	9.9
233.22812	0.5
241.01207	42.6
242.01572	0.7
255.23329	77.0
256.23672	5.4
256.93509	1.5
259.02319	3.1
262.56436	0.4
275.20279	0.6
277.21780	47.4
278.22092	3.4
280.97894	0.9
297.03967	2.3
303.02234	0.4
315.04996	1.6
338.93814	2.2
362.98154	1.1
391.22617	7.0
392.22891	0.8
409.24170	0.5
413.21103	1.7
420.94168	0.9
553.27991	5.0
571.28882	0.9
575.26349	1.2
831.50494	100.0
832.50732	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	833.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.2
61.98720	3.4
68.27213	0.3
69.03321	0.3
69.70620	1.1
69.71039	0.9
71.01266	4.8
72.99206	0.5
73.02847	1.1
75.00771	0.4
83.01270	1.1
83.04890	0.4
83.95717	0.3
85.02844	1.7
87.00764	1.0
88.98694	2.1
89.02338	1.7
93.03351	2.3
94.92558	0.3
96.95907	1.6
97.01415	0.3
97.02837	0.4
99.00785	0.6
101.02338	2.3
105.03400	0.4
107.01313	0.6
108.02084	0.9
109.02859	1.2
109.06467	0.6
111.00788	0.6
113.02362	1.4
115.00280	0.5
116.92736	0.4
117.02561	0.7
117.03380	12.2
118.03698	0.4
119.03424	0.8
119.04929	1.3
119.88260	0.3
121.02846	0.9
123.04427	0.7
125.02335	2.7
131.04948	0.4
133.02876	0.5
135.02879	0.5
135.04456	2.1
137.02419	1.5
137.06010	1.0
145.02861	1.0
147.04463	0.4
149.02335	0.7
149.06000	0.5
151.00296	1.9
151.03915	0.9
152.01077	1.0
153.01831	0.6
159.04405	0.5
159.24844	0.3
160.01591	0.4
161.02359	2.1
161.04459	0.7
163.03929	1.0
164.04729	0.6
165.05528	1.4
169.01447	0.3
173.02385	4.7
174.02861	0.4
175.02480	0.6
175.03896	0.6
177.01920	0.9
177.05460	0.6
179.07079	0.5
181.04958	0.5
185.02417	2.5
187.03976	2.5
189.01889	1.7
190.02565	0.4
191.03349	0.4
193.04999	0.5
193.08708	0.3
197.02364	1.0
201.02026	0.4
203.03461	1.5
205.05093	0.5
207.10068	0.4
209.11815	0.4
215.03497	3.3
217.01367	2.6
223.06035	0.3
227.03548	0.7
241.01462	1.2
245.04581	0.6
251.07115	0.5
253.05186	0.5
254.05858	0.3
263.07227	0.6
269.04599	1.3
271.02606	0.8
271.06088	1.0
278.05707	0.4
283.06076	0.4
284.03342	0.7
285.04193	0.5
287.05673	0.6
287.22266	1.6
293.04584	1.1
294.05197	0.4
295.06323	0.4
299.05756	1.1
305.04568	5.3
306.05286	4.3
307.06146	7.3
308.06335	0.4
311.05630	0.4
317.04639	0.4
318.08829	0.3
321.04141	0.4
323.05768	0.6
335.05676	29.1
336.05991	2.3
337.07321	0.4
338.04449	0.9
347.05865	0.5
353.06616	0.5
365.06744	6.2
365.10724	0.3
377.06549	0.6
401.14734	0.5
425.08853	65.1
426.09113	6.1
426.14447	0.4
455.09897	7.2
456.10364	0.8
545.13110	100.0
546.13519	9.9
579.17712	0.5
594.35236	0.4
600.81500	0.3
671.37012	0.5
691.24274	0.4
833.36163	8.7
834.36591	2.2
844.87848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.2
61.98709	0.7
70.85120	0.7
71.01273	1.1
73.02848	0.3
76.86023	0.2
83.01286	0.5
85.02850	0.8
89.02341	0.7
90.85483	0.3
95.01286	0.4
96.95925	0.5
101.02349	0.5
103.56826	0.2
109.02856	1.4
111.00771	0.3
113.02339	0.6
115.00273	0.4
119.04947	1.1
123.00803	0.9
125.02378	0.9
133.02888	0.3
137.02364	6.0
138.03166	0.4
139.00331	0.4
139.03972	0.3
145.02895	0.5
149.02400	0.6
150.03157	0.6
151.00305	10.9
151.03961	1.0
152.00989	1.0
152.04735	1.5
153.01901	0.5
159.04456	0.2
161.02438	0.3
161.04532	0.8
163.03944	0.5
165.01880	0.7
165.05531	0.3
166.02670	38.9
167.03247	2.5
171.10263	0.3
173.02464	0.4
175.02536	0.4
175.03975	1.0
175.07542	0.3
177.01866	2.0
179.03395	0.4
181.05031	60.6
182.05388	2.3
184.03781	0.7
189.05594	0.5
190.06317	0.8
191.03471	0.8
192.04300	0.8
193.05017	0.5
194.90027	0.2
195.03036	0.4
199.04073	0.3
203.03607	0.4
205.05096	0.6
205.08664	1.1
207.06615	1.0
209.04605	0.4
217.05058	0.5
219.06703	0.3
220.07253	0.3
224.56953	0.3
241.04996	0.3
267.03094	0.3
269.01050	0.5
269.04581	0.8
271.05786	0.5
285.04114	0.7
329.10300	0.6
357.09970	0.6
359.11426	1.6
387.10965	8.9
388.11179	0.8
389.06686	0.3
402.13248	7.8
403.13605	0.9
405.09695	0.3
417.15634	100.0
418.16000	10.4
425.08804	0.4
561.19794	0.7
579.17242	1.1
713.22705	0.3
827.28662	2.7
828.29041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.0
59.01263	49.8
61.98701	2.1
63.88474	0.7
69.03324	1.2
69.56710	2.7
69.57139	2.4
71.01270	50.6
72.01591	0.6
72.99186	2.4
73.02839	13.2
75.00761	1.1
83.01282	11.2
85.02842	24.3
87.00764	3.1
88.98724	0.8
89.02341	7.7
95.01273	5.2
96.95900	4.5
97.02850	2.7
99.00784	7.1
101.02345	32.7
102.02688	0.8
111.00775	2.3
113.02359	20.9
119.03409	2.6
125.02378	5.0
125.33377	0.8
131.03331	1.1
136.23685	0.7
137.05998	1.3
143.03395	2.6
148.95776	0.8
153.05476	0.8
159.02936	2.4
161.04507	12.2
165.05510	2.1
192.38779	0.7
213.71864	0.8
220.14993	0.7
365.10712	0.8
379.11929	1.5
457.33002	1.0
458.33566	1.2
459.33862	1.2
577.37646	1.7
625.39374	2.4
653.92944	0.7
711.43433	0.9
721.41101	1.3
739.42987	10.8
740.43250	2.8
781.43976	100.0
782.44305	24.6
825.45044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.3
59.01263	49.5
61.98721	6.8
62.12643	0.7
67.01797	1.0
68.99697	0.8
69.03323	1.5
71.01269	47.7
72.01595	1.1
72.99194	2.7
73.02834	15.0
75.00752	1.2
83.01279	12.7
83.77991	0.7
85.02842	26.1
87.00789	4.9
89.02342	9.3
95.01270	4.6
96.95922	6.7
97.02846	3.1
98.20636	2.3
99.00779	5.9
101.02344	32.9
109.02846	1.0
111.00759	1.5
113.02356	21.4
119.03456	1.9
125.02345	4.2
131.03453	0.9
135.04410	1.0
137.06026	1.7
143.03418	3.0
146.41089	0.8
151.87285	0.8
155.28036	0.7
159.02913	2.2
161.04497	9.6
165.05472	1.3
177.77252	0.9
179.05682	0.9
185.88095	0.8
217.27612	0.8
217.79050	0.7
228.15627	0.9
230.15823	1.0
230.17926	0.8
249.12456	1.0
283.13348	1.2
409.12869	2.0
420.82767	0.9
577.37640	2.3
611.17371	0.9
619.38501	1.1
739.43152	11.1
740.43005	1.9
765.45093	1.1
781.43976	100.0
782.44214	23.3
825.30243	1.3
825.47638	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.8
59.01265	39.9
61.98720	5.0
65.00210	0.8
71.01266	4.8
71.60126	0.6
72.99192	0.7
73.02839	1.0
75.00765	0.5
83.01310	2.1
85.02847	1.9
87.00768	1.2
88.98695	0.7
89.02342	2.5
93.03367	0.8
95.04940	0.5
96.95917	2.5
97.02843	0.5
97.59026	0.4
99.00805	0.7
99.04447	0.5
101.02348	2.3
107.01296	0.6
108.02055	1.8
109.02890	2.0
113.02332	2.0
116.92777	1.5
117.03358	0.4
117.64600	0.4
119.03421	0.5
119.04945	1.7
121.02858	1.5
122.06055	0.7
123.04471	1.0
124.03920	0.8
125.02375	9.2
126.02728	0.7
133.02809	1.0
134.03650	0.8
135.04460	2.1
137.02393	2.2
143.03423	0.6
145.02873	1.3
146.03671	35.9
147.04182	1.7
149.02342	1.2
149.06052	3.5
150.03156	0.9
151.00287	1.7
151.03928	1.6
152.01088	3.6
153.01909	1.1
161.02426	2.0
161.04584	1.1
161.06027	12.9
162.06512	0.4
163.03969	1.5
164.04739	24.8
165.01880	0.7
165.05481	4.2
167.03465	1.2
167.05092	0.4
175.02519	0.4
175.03972	0.8
176.04718	0.6
177.01903	1.0
177.05544	0.5
179.07095	100.0
180.07454	4.5
181.05043	1.0
189.71719	0.4
190.02682	0.5
193.05048	0.7
194.05849	0.7
195.06726	0.7
205.05038	0.5
209.08168	4.3
216.45183	0.4
253.05064	0.6
269.04568	2.8
270.05048	0.6
271.06177	0.5
284.03122	0.8
285.04181	2.2
287.05649	3.1
288.06036	1.6
299.05539	0.6
315.07306	1.2
373.15512	0.6
389.16150	28.0
390.16473	2.0
411.10834	0.6
419.17380	1.5
518.09943	0.5
545.13348	0.6
556.66968	0.5
599.25104	25.8
600.25336	3.5
821.27417	1.2
822.27393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
58.00460	0.4
59.01261	6.5
61.98717	1.7
69.89893	0.6
69.90307	1.0
71.01272	4.4
72.99223	0.5
73.02838	0.9
75.00799	0.3
83.01291	1.0
85.02853	1.3
87.00770	0.5
88.98684	0.4
89.02327	2.6
90.54205	0.3
93.03370	0.6
95.01289	0.3
96.95924	0.9
97.02826	0.4
98.20501	0.4
99.00786	0.4
101.02345	2.5
102.08254	0.3
107.04925	0.4
108.02079	0.5
109.02866	0.7
113.02344	1.7
115.00256	0.3
115.17844	0.3
115.23613	0.3
117.03402	0.4
119.03405	1.2
119.04945	0.7
123.04441	1.1
125.02348	0.9
134.03659	0.3
134.30214	0.3
135.04465	1.2
136.05223	0.7
137.02469	1.4
137.06010	85.7
138.02826	0.3
138.06355	3.4
145.02881	0.4
149.02309	0.5
149.06017	1.3
150.03116	0.8
151.00275	0.5
151.03903	1.8
151.07553	0.3
152.01143	0.8
152.04776	2.0
153.01874	0.3
153.05453	0.3
161.04482	0.7
163.03970	0.7
164.04747	2.8
165.01936	1.9
165.05519	100.0
166.02753	0.4
166.05858	5.4
173.06010	1.2
178.06343	0.6
179.05556	0.7
179.06998	0.7
181.04977	0.6
182.05586	0.3
187.07695	0.6
188.08382	0.3
189.09230	0.5
191.03465	0.3
191.07121	2.7
193.05067	0.4
195.06512	0.3
198.05273	0.7
205.08774	0.3
209.08316	0.4
223.06183	0.4
233.59412	0.3
244.87132	0.3
247.83160	0.3
265.14255	0.4
269.04645	0.5
276.92651	0.3
283.06155	0.3
335.05634	0.3
336.06390	0.3
357.13309	0.6
368.55386	0.3
369.13565	1.0
370.13632	0.4
426.08865	0.3
436.62592	0.3
467.33719	1.0
477.19131	0.4
477.32382	3.4
478.32999	0.5
479.30054	0.5
480.30966	3.0
481.31961	0.4
495.33386	93.7
496.33688	14.2
515.12335	0.5
546.12787	0.4
547.13208	0.4
588.01996	0.4
597.23401	0.4
639.23859	0.5
657.38696	89.8
658.39001	15.4
761.85968	0.4
819.30334	4.3
819.43848	1.1
820.31842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.4
59.01265	43.5
61.98722	3.3
70.39357	1.6
71.01277	2.8
71.48972	0.5
72.99197	1.2
73.02838	1.1
83.01264	2.0
85.02840	1.3
87.00769	0.6
88.98733	0.5
89.02348	1.4
93.03373	0.9
94.03703	0.5
95.01281	0.7
96.95917	2.7
99.00735	0.6
101.02354	1.5
101.60688	0.5
107.01333	0.6
108.02099	1.0
109.02864	2.6
113.02350	2.3
117.03368	1.0
119.04924	0.5
123.04463	0.5
125.02354	4.5
132.02081	1.3
133.02869	1.7
135.04443	1.8
136.01515	0.7
137.02356	1.4
147.04457	0.7
149.02396	1.2
150.03180	1.1
151.00331	1.4
151.03955	1.3
152.01067	0.9
153.01894	1.0
160.01610	2.8
160.05199	0.5
161.02422	1.2
161.04564	0.8
161.05966	0.9
163.03899	0.8
164.04669	1.1
165.01830	0.9
165.05472	1.7
166.02660	0.8
167.03424	1.0
173.02460	0.7
175.02541	0.6
175.03893	2.5
177.01839	0.9
177.05507	1.4
179.03453	0.7
179.05692	0.6
179.06952	2.2
181.04956	0.7
188.04820	0.6
189.01854	0.6
190.06281	2.1
192.89879	0.5
193.04976	0.7
195.06552	0.9
203.07034	1.0
213.05748	0.5
221.00824	2.1
221.08177	0.8
222.05278	1.6
227.07080	0.5
238.06357	0.7
239.01994	2.1
239.07089	0.5
240.08000	1.2
241.05009	0.5
241.08478	0.7
248.04698	0.5
253.05060	0.5
253.08662	0.7
255.10239	1.3
266.06030	0.6
267.06805	0.7
267.10330	1.1
268.07449	6.0
269.04599	1.2
269.07831	0.7
278.05792	0.7
279.06595	1.5
280.07440	1.3
281.08389	1.1
283.06558	0.7
283.09799	8.9
284.06973	1.7
284.09851	0.6
285.04028	1.8
287.05850	0.7
291.06845	0.9
293.04730	0.5
293.08206	1.2
294.05539	1.0
294.09088	0.8
295.06198	1.3
296.07010	4.3
297.07715	3.0
297.10977	0.8
298.08340	0.6
299.05875	0.8
299.09311	3.6
306.05328	0.6
307.06165	1.0
308.06967	4.3
308.10281	0.9
309.07745	6.1
310.08224	1.0
311.05771	1.6
311.09369	3.6
312.06564	6.8
312.09930	1.0
313.06845	0.8
313.10641	0.6
315.07394	0.5
315.12567	0.6
321.07703	1.6
322.08487	4.1
323.09283	11.6
324.06412	4.5
324.10065	7.9
325.10718	0.7
326.08221	0.8
327.05228	1.6
327.08829	23.9
327.12411	2.0
328.09052	2.6
335.05573	2.3
337.10892	2.8
338.11649	8.4
339.08762	33.2
339.12463	10.2
340.09079	2.9
340.12808	1.2
341.10229	2.2
342.11151	28.0
343.11597	2.2
353.10367	2.8
354.11157	22.6
355.11444	2.9
356.12723	2.0
357.13498	84.3
358.13800	9.7
369.13486	78.4
370.13843	9.5
387.14783	2.4
388.14606	0.6
417.15604	0.7
425.08981	1.1
453.18689	0.6
455.09909	1.8
508.88162	0.5
545.13287	1.4
567.22394	4.5
568.23145	0.6
575.13867	2.4
597.23529	100.0
598.23834	19.3
788.92218	0.5
819.27881	0.9
820.25433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.7
59.01266	6.3
61.98717	6.1
63.02297	2.4
65.00209	20.4
66.72475	0.5
69.03351	0.8
70.67693	0.5
71.00867	0.8
71.01275	6.8
73.02834	1.9
75.00769	1.5
75.83327	0.5
81.03347	6.7
81.40634	0.5
83.01280	12.7
85.02849	3.0
87.00784	1.8
88.98727	0.8
93.03371	1.3
95.01304	1.8
95.04916	1.7
96.95908	6.2
97.02859	0.9
99.04401	0.7
101.02337	3.7
107.01299	23.6
107.04864	0.7
108.99211	0.6
109.02878	1.7
113.02345	3.6
117.03384	0.8
119.03416	0.8
119.04916	0.6
120.93218	0.5
121.02888	2.4
123.04440	44.8
124.01601	1.5
124.04803	1.5
125.02368	34.8
126.02690	1.4
130.04179	0.9
131.01343	0.6
133.02872	1.3
133.06406	0.7
134.03682	3.0
135.04411	2.7
137.02370	1.9
137.06029	0.9
138.03185	0.7
139.00301	0.6
139.03944	1.1
143.03484	0.6
145.02817	0.8
146.03560	0.7
147.04440	1.1
149.02382	3.4
149.04417	0.7
150.03185	0.8
151.00311	81.1
151.07732	0.5
152.00735	2.3
153.01891	2.6
158.03651	1.1
159.04480	3.8
161.02394	2.2
161.04535	0.7
163.03938	1.5
164.04799	0.9
165.01918	2.0
165.05516	1.9
166.02699	2.4
167.03453	100.0
168.03798	4.0
169.01376	2.7
172.05247	5.6
173.06033	5.5
174.03151	0.6
174.34599	0.6
175.00345	2.1
175.03976	1.4
177.01863	2.8
179.03456	2.0
181.05052	1.0
183.04482	1.9
184.05199	0.8
185.06036	1.9
186.03200	0.8
186.06784	1.0
187.03970	2.7
187.07544	0.7
190.02727	1.4
191.03474	3.4
193.01405	1.8
193.05043	1.9
195.06651	1.3
197.06090	1.8
199.04060	1.3
199.07738	0.8
200.04758	6.1
201.05568	6.9
202.06319	10.3
204.04201	1.6
205.01389	1.2
205.04993	1.0
209.04536	4.3
209.06235	0.7
209.11847	3.2
211.13365	2.0
212.08287	1.0
213.05566	2.5
214.06297	0.9
215.03551	1.3
217.01553	0.6
221.04449	0.6
227.03519	1.6
227.07120	0.6
227.13020	0.9
228.04237	1.0
232.03769	1.8
233.04378	0.7
235.02531	1.3
269.06836	0.9
271.06378	0.8
281.04474	0.6
283.06653	0.8
283.13477	25.5
284.03433	0.8
284.13892	1.9
285.04071	1.2
287.05515	0.7
291.06787	0.8
297.15012	1.1
299.16620	1.0
301.14487	0.8
307.06210	1.9
308.06622	0.7
309.04102	8.0
309.14969	4.2
310.04727	2.6
311.12982	13.5
312.13184	0.9
313.09375	0.9
315.12570	0.9
315.16043	7.9
316.16718	1.0
319.30344	0.6
322.04681	0.6
323.05707	4.1
324.06537	2.3
325.14627	1.2
327.16031	3.0
329.22974	0.7
335.05615	1.3
337.07059	0.9
339.07428	1.5
341.17529	2.9
343.15594	48.6
344.15991	5.3
351.08853	4.0
355.10370	1.6
357.17258	0.7
359.18674	3.0
367.10556	0.9
367.15414	1.0
381.13385	0.7
385.16681	2.3
389.12869	0.7
397.13321	1.2
409.12851	1.5
423.14502	1.3
424.14966	1.0
433.13434	2.5
435.14633	5.0
436.14978	0.7
459.11569	19.2
460.11694	1.7
465.15186	0.9
466.15979	0.6
467.17236	9.5
468.17398	1.6
475.14658	38.2
476.15112	4.5
477.12213	0.7
479.17209	2.1
492.17514	0.9
493.18927	2.9
494.19119	1.6
594.16040	0.9
594.62646	0.6
597.20184	4.3
598.20422	0.7
618.16522	1.2
743.25562	1.3
773.30798	0.9
775.28326	25.4
776.28473	4.2
783.28448	1.0
801.29962	26.1
802.30267	5.8
819.30914	35.9
819.43311	2.2
820.31421	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	819.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	5.7
58.00467	2.4
59.01264	93.2
61.98716	20.0
65.00204	1.9
65.05267	1.2
69.03353	3.1
69.78836	2.6
69.79228	8.4
71.01270	80.3
71.04905	1.4
72.99205	6.3
73.02835	36.9
73.47806	1.2
75.00760	2.1
79.08344	1.3
81.03342	1.6
83.01274	17.7
83.96611	1.2
84.02065	1.3
85.02840	19.6
87.00761	7.3
88.98684	2.4
89.02335	29.4
93.03360	4.9
95.01284	6.2
95.75008	1.3
96.95931	5.5
97.02850	1.6
98.19729	1.8
99.00798	4.0
99.04398	2.5
101.02345	45.6
102.02671	1.2
107.01360	1.9
107.04902	1.6
108.02092	5.7
109.02880	5.3
111.00820	2.2
113.02361	24.1
116.92762	3.0
119.03429	8.9
119.04957	4.2
121.02891	3.1
123.04410	3.0
125.02370	19.0
131.03429	3.3
132.05727	2.9
133.02879	2.8
134.03671	2.3
134.06024	1.6
135.04427	7.5
136.05205	1.6
137.02393	5.6
137.06013	28.2
138.06337	1.5
143.03418	1.5
147.04401	2.1
148.01633	1.7
149.02402	4.4
149.04375	1.7
149.06039	4.2
150.03188	2.3
151.00365	7.7
151.03978	3.6
152.01112	7.5
153.01839	3.5
159.04314	1.3
160.03975	1.8
161.01234	1.4
161.02356	6.1
161.04474	7.9
161.05704	1.2
163.04062	3.3
164.04723	6.7
165.01852	2.1
165.05525	33.8
166.02614	1.4
167.03535	1.6
173.09796	1.4
175.02420	2.7
175.03961	5.4
177.01749	3.5
179.03366	2.8
179.05574	2.8
179.07053	1.6
181.05032	1.6
187.11240	5.8
188.11612	1.4
189.09119	1.3
190.02682	1.8
191.03508	1.9
191.07039	1.7
195.06558	1.8
205.05038	1.9
205.39438	1.4
209.08221	1.5
213.09113	2.1
227.03551	1.6
228.07896	1.9
231.10280	13.0
234.52699	1.5
243.06631	3.1
243.10368	3.2
247.09952	1.3
253.05067	2.1
255.02882	1.5
267.06653	1.7
269.04645	3.1
271.06140	2.4
284.03302	2.7
285.04138	5.0
287.05664	3.8
297.07822	7.3
297.10760	1.6
298.08527	3.1
299.05673	4.5
300.06003	1.7
315.07382	2.4
335.05417	1.8
347.09290	1.9
357.13318	2.0
366.07407	1.6
375.08646	3.0
376.09549	23.9
377.10126	2.7
391.11957	42.4
392.12372	6.3
393.13626	2.0
409.12766	1.7
411.14502	3.2
494.32162	2.1
495.33401	22.8
543.19122	5.3
545.13593	2.2
553.17316	58.9
554.17255	8.5
571.18335	66.5
572.18610	11.0
580.83221	1.5
585.19830	4.9
613.19379	100.0
614.19727	18.2
657.27008	2.1
657.38641	25.9
775.24316	4.9
818.45929	3.8
819.29547	3.7
819.44806	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	817.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	4.1
58.00497	1.5
59.01264	31.5
61.98716	15.9
65.00222	2.1
71.01266	26.5
71.52100	2.3
72.99232	1.7
73.02847	3.9
75.00761	2.6
83.01258	7.0
85.02837	8.8
87.00772	3.0
88.98710	2.9
89.02335	10.9
93.03368	4.5
95.01328	2.3
96.95921	6.1
97.02861	3.8
99.00790	3.4
99.04427	2.1
101.02350	14.6
107.01304	3.0
108.02066	1.7
109.02892	5.7
113.02335	10.2
115.00264	1.7
116.92821	2.4
117.03378	2.1
119.03455	3.2
119.04947	5.8
121.02870	3.2
123.04472	3.3
125.02331	11.6
134.03598	2.3
135.04463	8.3
136.05232	6.3
137.02399	5.5
137.06007	61.7
143.03415	1.7
145.02916	1.9
147.04504	2.1
149.02382	4.2
149.05994	2.6
151.00310	11.2
151.03929	5.4
152.01067	3.8
152.04715	4.9
153.01851	1.7
160.03989	2.7
161.02390	2.3
161.04488	2.4
161.08145	6.0
163.00424	1.3
163.03935	2.3
163.07579	1.3
164.04713	9.6
165.04121	3.0
165.05527	57.8
166.05983	2.2
175.02443	2.3
175.03923	3.0
177.01881	2.9
177.05553	1.4
179.05643	1.6
181.05042	1.4
189.05397	1.4
190.02597	2.0
191.07088	3.3
193.05074	1.8
195.04970	1.3
195.06773	2.4
198.05313	1.3
205.05106	2.1
223.06146	1.6
231.13887	1.3
234.33688	1.4
243.15884	1.5
269.04752	1.7
271.06256	4.5
285.04120	1.4
327.25418	4.3
394.10751	1.5
395.11456	2.0
395.91489	1.3
406.16769	2.2
409.13321	2.6
421.18689	10.0
422.19052	2.2
425.12524	2.8
475.30847	12.9
475.45932	1.4
487.88580	1.7
491.30057	4.3
492.30862	4.0
493.31790	39.1
494.32361	4.7
579.17529	1.7
637.35791	6.6
655.35187	12.0
656.35657	1.9
737.29773	1.6
757.41272	1.9
759.71643	1.4
817.42822	100.0
818.43463	21.9
836.84790	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	817.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01602	1.2
61.98716	2.1
64.12847	0.3
69.03337	0.6
71.01271	2.3
71.53616	0.6
73.02840	0.8
83.01261	0.3
85.02839	0.6
87.00780	0.6
89.02325	1.9
95.69016	0.3
96.99225	0.7
97.02879	1.0
99.00774	0.6
101.02363	2.4
113.02380	1.1
119.03412	0.4
125.02368	1.3
141.01633	60.9
142.01930	1.1
143.03455	0.5
153.01729	0.3
161.79562	0.3
163.01663	0.3
179.05586	0.4
180.92468	0.3
235.08243	0.8
243.04874	0.7
277.21786	6.9
278.22159	0.7
281.64471	0.3
302.78699	0.3
359.22092	5.2
360.22543	0.6
372.72141	0.3
397.08423	0.6
397.13599	12.9
398.13940	1.0
415.14502	2.5
419.11844	3.0
437.12894	4.8
469.06348	0.6
675.36188	1.2
697.34161	3.9
698.34668	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.404
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02270	2.6
65.00212	21.3
68.03215	0.7
68.99704	1.0
73.18106	0.8
83.01271	7.7
93.03345	5.5
99.65506	0.7
107.01294	30.0
117.03356	1.8
119.04943	37.7
120.05264	1.7
125.02376	6.3
129.89427	0.7
133.02841	0.8
143.04951	1.3
145.02902	7.3
151.00308	100.0
152.00616	2.7
163.00232	0.9
165.01912	4.1
169.01353	3.5
175.00345	2.1
177.01881	8.7
185.06020	2.3
187.03955	3.3
193.01389	1.4
227.07150	1.9
253.09254	0.9
255.23250	2.1
270.05646	0.9
271.06195	36.3
272.06436	2.3
279.23361	1.4
459.13058	0.9
665.83936	0.9
691.05267	1.0
697.34808	8.9
698.35236	2.0
782.39124	0.9
817.40314	64.1
818.40540	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	817.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	0.4
59.01263	100.0
60.01607	0.8
61.98716	9.8
71.01275	2.4
71.52360	0.5
72.99210	0.4
73.02867	0.4
80.96423	0.3
85.02869	0.5
87.00766	0.3
89.02335	2.0
95.01297	0.3
96.95890	0.3
96.99200	0.5
97.02863	0.9
99.00813	0.3
99.62580	0.3
101.02375	1.6
113.02341	1.0
116.92827	0.3
119.03403	0.4
125.02387	0.9
135.04498	0.6
141.01628	56.2
142.01973	1.2
161.04459	0.4
201.11322	0.7
209.11819	1.0
235.08185	0.8
243.04742	0.5
250.15187	0.3
253.09238	0.5
275.20447	0.4
277.18970	0.5
277.21817	5.5
278.22131	0.5
293.21292	1.0
359.22064	3.8
360.22424	0.4
397.13605	10.0
398.13916	0.6
404.35025	0.4
404.43033	0.4
415.14557	1.9
419.11874	1.8
432.37192	0.3
437.12918	3.4
469.06952	0.6
548.22406	0.3
675.36096	1.0
697.34662	2.5
724.08392	0.4
817.27893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31406	0.3
59.01263	100.0
60.01597	1.0
60.13715	0.3
61.98714	3.1
69.80807	0.8
69.81228	1.4
71.01274	2.8
73.02835	0.6
74.85294	0.3
88.98708	0.5
89.02346	2.1
92.78896	0.3
95.01318	0.3
95.22208	0.3
96.99219	0.5
97.02863	0.9
99.00752	0.3
101.02356	1.8
113.02380	1.1
119.03407	0.4
125.02376	1.3
141.01630	57.9
142.01978	0.8
143.03499	0.3
145.69627	0.3
161.04562	0.4
209.11852	0.4
214.90582	0.3
222.83603	0.3
235.08224	1.0
235.16946	0.3
243.04947	1.1
277.21777	6.7
278.22101	0.5
293.21259	0.4
345.07843	0.4
359.22141	4.4
397.13641	10.3
398.13971	0.7
415.14600	2.6
419.11877	2.3
437.12811	4.2
469.06473	0.8
475.33557	0.4
671.94055	0.4
675.36316	1.5
697.34210	3.3
698.34454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.7
59.89628	0.2
61.98729	0.3
71.01269	2.9
71.09227	0.2
71.09592	0.4
73.02849	0.4
78.95797	3.7
80.02570	0.7
81.03361	0.8
83.01297	0.3
83.04915	4.0
84.02055	0.4
85.02859	0.7
87.00784	0.4
89.02341	2.1
95.04930	0.6
96.96873	1.0
101.02345	2.1
109.06545	0.3
113.02369	1.2
119.03413	0.3
123.68479	0.2
125.06007	0.6
143.03503	0.3
152.99556	0.9
154.19746	0.2
161.04518	1.0
163.11237	3.0
165.12857	1.8
171.10214	2.7
179.05531	0.6
181.12328	0.7
191.10791	0.8
207.10329	0.5
209.11824	100.0
210.12172	5.4
223.00095	0.4
225.11296	0.6
227.12892	11.6
228.13246	0.5
235.08250	2.7
241.01236	2.1
242.25009	0.3
253.09331	6.9
254.09665	0.5
255.23329	2.1
277.21783	61.8
278.22092	5.4
445.20963	3.9
446.21329	0.5
463.21942	0.3
513.30865	0.9
554.17688	0.3
575.54236	0.3
596.78882	0.2
683.68994	0.2
725.38672	1.5
726.39392	0.5
779.39471	0.4
797.40991	2.4
797.54321	0.3
798.41638	0.7
815.41693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	21.9
58.00481	0.7
59.01265	26.6
61.15637	0.3
61.98723	1.5
65.00195	0.3
68.99699	0.6
69.03336	2.6
69.07403	0.3
70.54264	0.4
70.54606	0.9
71.01270	33.0
72.01635	0.3
72.99191	2.2
73.02834	11.7
75.00757	1.0
81.03347	2.0
83.01276	45.4
84.01612	0.7
84.10596	0.3
85.02841	20.2
87.00764	4.1
87.39151	0.3
89.02336	4.4
93.03365	1.1
95.01286	4.3
96.95888	0.4
97.02848	8.0
99.00780	7.8
99.04420	8.5
101.02344	32.6
102.02675	0.6
107.04916	0.8
108.02090	1.5
109.02885	2.1
111.00764	1.5
111.04433	1.0
112.01571	1.2
113.02354	25.0
114.02641	0.4
115.03927	0.4
119.03438	0.3
119.04927	0.6
121.02893	0.9
123.00859	0.4
123.04454	0.7
125.02366	29.8
126.02652	0.7
127.03938	0.8
129.01851	0.9
131.03394	1.0
133.01361	0.3
133.02806	0.5
135.04436	0.9
137.02371	1.2
139.03957	0.8
143.03421	4.2
145.04903	0.3
146.67313	0.3
149.02376	0.6
151.00304	1.0
151.03935	0.6
152.01112	1.7
153.01846	0.9
153.05507	0.5
155.03445	0.8
159.02936	3.2
161.04500	19.9
163.03970	0.4
165.03983	0.7
165.05370	0.4
167.03432	1.3
173.04539	0.4
175.02515	0.4
177.01904	0.5
177.05656	0.4
179.03438	1.1
180.04263	0.3
190.02740	0.6
191.05559	0.3
193.01312	0.3
195.06502	0.5
203.05527	0.7
203.07159	0.8
205.03455	0.4
205.05130	0.5
207.03035	0.3
215.05518	0.5
223.06116	0.4
227.05624	1.1
236.11908	0.3
243.08656	0.4
245.06689	19.7
246.07092	0.7
269.10336	15.9
270.10562	0.8
271.06235	0.3
284.03299	0.7
285.04089	2.4
287.07895	0.8
291.08878	0.6
305.08752	0.4
311.11554	1.6
315.07407	0.6
325.09503	0.4
329.08759	0.8
365.13086	0.3
369.11932	0.3
371.09909	8.2
372.10370	0.7
383.13544	35.4
384.13910	2.9
401.14590	100.0
402.14972	7.3
419.11972	0.6
431.12036	2.7
443.15707	5.5
483.19269	0.3
485.16678	1.7
593.25696	0.6
653.24170	0.4
771.19891	0.3
815.32404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.7
58.25457	0.4
59.01265	2.0
65.41388	0.4
69.03352	0.7
71.01265	3.5
71.56359	1.0
72.99213	1.5
73.02853	0.7
75.00797	0.7
81.03340	0.6
83.01281	2.9
85.02860	3.6
87.00771	1.2
89.02326	1.0
93.03348	0.7
95.01284	1.6
96.95906	1.1
97.02866	1.1
99.00781	1.2
99.04436	1.4
101.02346	2.5
102.58728	0.5
107.04922	0.6
108.02081	54.9
109.02896	9.6
110.03205	0.4
111.00818	0.6
112.29498	0.5
113.02376	2.8
117.05040	0.4
119.04985	0.6
121.02853	4.0
123.00833	1.1
123.04505	1.0
125.02365	4.6
129.01839	0.5
133.02896	1.3
134.03639	0.9
135.00803	0.6
135.04469	1.5
135.06310	0.5
136.01662	0.5
137.02359	1.2
147.04486	0.7
149.02386	18.9
149.05913	0.5
150.03174	8.0
151.00305	0.8
151.03912	2.2
152.01096	100.0
153.01881	6.4
161.02423	0.8
161.04544	1.5
163.03972	5.9
164.04736	14.9
165.01852	0.8
165.05550	3.5
166.02705	2.1
167.03458	1.8
176.01115	2.0
177.01880	1.5
177.05560	0.6
178.21419	0.5
179.03464	1.6
179.07114	4.9
181.05045	1.6
182.21751	0.5
190.02728	1.9
191.03459	4.4
193.01390	2.1
193.04987	0.7
194.02184	4.6
194.05806	0.6
205.05043	2.4
207.02927	0.9
208.03734	6.1
209.04539	14.8
209.08073	0.8
223.06129	17.1
224.06450	1.1
245.06760	0.6
265.07199	1.1
297.06021	0.6
306.48764	0.5
315.07260	1.2
348.41763	0.5
371.09875	0.8
429.10489	8.9
430.10779	1.1
447.11566	11.3
448.11749	1.0
471.11304	1.3
653.17377	39.7
654.17493	6.1
667.18750	0.8
695.18640	3.0
815.22729	27.9
816.23102	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	813.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.2
58.00471	1.9
59.01265	33.9
61.98421	1.3
61.98718	12.1
62.47516	0.9
65.00244	0.9
68.99692	1.0
69.03364	1.1
69.78031	5.4
71.01270	47.8
72.99178	2.3
73.02840	8.9
75.00761	1.1
78.95776	0.9
83.01282	8.5
85.02847	19.0
86.00009	1.2
87.00774	9.3
88.98676	2.2
89.02335	17.7
93.03348	2.0
95.01284	3.8
96.95914	5.2
97.02883	1.7
99.00752	6.3
101.02346	22.6
103.00262	1.9
107.04951	1.0
108.02045	1.4
109.02856	3.4
111.00838	0.9
113.01617	1.7
113.02363	18.8
115.00275	1.5
116.92776	2.2
117.01917	0.9
117.03400	1.3
119.03430	3.2
119.04953	1.0
121.02872	2.8
123.04406	1.6
125.02380	7.9
127.00264	1.9
129.01851	1.2
130.47414	0.9
131.03464	5.9
133.02908	1.5
133.05048	1.1
135.04437	3.4
137.02351	2.7
137.06006	1.1
143.03430	1.6
145.02846	1.4
149.02412	2.9
149.04483	2.2
151.00307	2.9
151.03995	1.7
151.06085	5.9
152.01112	2.0
159.02928	2.3
161.02359	1.6
161.04515	6.5
163.03905	3.0
164.04584	0.9
165.05530	2.8
166.02640	1.3
167.03381	1.0
175.00322	1.1
175.02444	1.0
175.03915	1.7
177.04065	1.3
178.06320	2.4
179.03325	1.1
179.05548	3.4
190.02644	1.0
193.08699	2.4
195.06540	1.3
221.06700	4.7
223.06032	1.4
237.09726	1.0
249.18645	3.8
265.17984	4.7
267.19656	1.6
269.04663	1.8
271.06186	1.1
284.03455	3.1
285.04266	1.4
293.04648	1.3
299.05740	4.9
305.08835	2.3
353.10342	2.2
425.08057	1.2
427.23462	5.6
429.25003	1.1
463.22385	1.0
545.12537	1.4
579.17810	1.4
589.28278	5.4
597.13300	1.0
610.58459	1.0
612.20636	1.0
651.41742	2.4
653.22998	1.3
692.49017	1.1
813.46674	100.0
814.32605	1.8
814.47003	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	813.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.2
58.00468	0.7
59.01265	17.1
61.98711	3.7
65.00189	0.5
68.44195	0.5
69.32865	4.1
71.01269	24.7
72.01603	0.6
72.99182	1.7
73.02837	5.6
74.07420	0.4
75.00739	1.0
83.01273	4.5
83.04887	0.7
85.02351	0.9
85.02839	11.9
87.00770	3.2
88.98698	1.0
89.02344	7.7
93.03388	0.6
95.01280	2.9
96.95921	3.1
97.02868	1.2
99.00787	3.3
99.04414	0.6
101.02348	16.8
107.10177	0.5
108.02024	0.8
109.02872	1.2
113.02357	12.8
114.02635	0.7
118.64605	0.4
119.03413	3.2
121.02875	1.1
123.04381	0.7
124.05885	0.4
125.02345	3.0
131.03465	1.3
135.04399	0.9
137.02333	0.9
143.03386	1.4
147.04468	0.5
149.02434	0.8
151.00252	1.0
152.01068	0.7
153.01746	0.6
157.36223	0.5
159.02885	1.4
161.04482	6.2
163.03981	1.1
171.10167	0.7
179.03592	0.6
179.05536	1.5
190.02666	0.6
191.03175	0.5
211.13304	1.0
221.06673	2.1
223.06000	0.7
243.10278	1.4
265.18130	11.4
266.18561	0.8
267.19693	8.5
268.20078	0.7
269.72958	0.6
271.06143	0.7
306.07687	1.3
327.21854	4.2
328.22137	0.9
348.02377	0.6
383.20914	1.0
385.22284	2.0
423.16824	0.6
448.61920	0.6
535.51025	0.6
545.26288	0.6
547.27698	1.0
633.40430	0.7
767.78265	0.6
813.46637	100.0
814.46967	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43918	0.4
57.03326	0.5
59.01249	1.6
61.98697	1.3
63.01339	0.5
65.03860	1.0
71.01250	0.6
71.03841	1.1
78.95796	0.6
83.04917	0.6
91.05412	1.8
93.03344	0.8
96.26724	0.4
101.02299	0.5
102.84711	0.5
108.02062	0.7
109.02856	10.6
116.92773	0.8
121.02891	2.2
132.14185	0.5
132.15549	0.5
133.02852	0.6
135.04440	18.6
136.04770	0.5
147.04449	3.4
159.04453	1.2
160.05147	0.5
171.10257	0.8
177.12805	0.7
191.10660	1.4
194.07404	0.5
207.10304	0.8
215.10741	1.0
217.12311	2.2
221.11792	1.5
225.11363	0.8
237.09122	0.7
239.13040	0.5
253.09209	0.6
265.12277	0.5
269.08264	0.6
281.08203	1.7
293.21286	1.6
297.15167	1.0
306.12833	0.7
309.11322	0.6
324.13724	0.6
339.16058	51.9
340.16437	5.7
392.99240	0.5
455.06598	0.6
471.34885	100.0
472.35184	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	809.6322
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69477	0.5
67.35236	0.6
71.54909	0.8
80.96384	0.6
161.59413	0.6
455.35403	100.0
456.35791	14.2
456.41495	0.4
745.08698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.2
57.93058	0.6
59.01268	6.8
61.98721	5.3
63.02268	3.0
65.00209	23.0
66.00545	0.8
68.99709	0.7
71.01262	5.5
71.53918	1.0
72.99203	0.9
73.02841	1.9
75.00771	1.2
81.03336	1.3
82.37891	0.5
83.01274	11.4
85.02837	2.9
87.00768	0.7
89.02352	2.0
92.15273	0.6
93.03359	7.5
96.95919	2.1
97.02866	0.8
99.00797	1.3
101.02346	3.9
107.01298	28.7
108.02173	1.1
109.02869	1.8
113.02370	1.9
116.92786	1.0
117.03381	8.4
119.04946	63.9
120.05280	2.6
121.02870	1.2
123.04424	0.8
124.01574	0.6
125.02367	27.6
126.02740	0.9
128.03494	1.2
131.01297	0.8
133.02864	0.8
134.03668	0.8
135.00797	0.6
135.04469	1.6
136.01566	1.2
137.02379	2.3
139.03857	0.7
143.04968	2.2
145.02884	39.4
146.03217	1.8
149.02325	2.7
150.03084	1.8
151.00311	100.0
152.00606	3.4
161.02345	1.4
161.04500	1.6
161.06021	2.0
163.00331	0.6
163.03897	1.0
164.04707	0.9
165.01884	5.8
165.05484	2.6
166.02605	0.7
167.03479	1.3
169.01385	3.1
172.81236	0.6
175.00340	2.4
177.01900	9.4
179.03505	1.8
181.05025	1.0
185.06070	2.2
187.03938	2.8
191.03502	0.6
193.01395	1.3
193.05074	0.9
195.06630	1.8
197.04443	0.5
197.06297	0.7
203.03539	0.8
205.05084	0.9
209.04517	0.7
209.08083	1.1
217.01341	0.8
223.06032	1.1
227.07150	2.8
230.08234	16.6
230.54404	0.6
231.08415	0.9
235.02533	1.8
248.09254	1.3
253.05217	0.9
269.04526	1.0
271.06171	50.6
272.06500	3.2
297.07251	0.6
313.07089	1.2
335.05466	0.7
336.05954	0.7
338.10446	7.1
340.09061	0.6
356.11615	0.9
357.13120	1.4
358.13611	0.8
369.13336	0.9
370.13599	1.5
373.26108	0.7
418.15900	1.0
425.08777	1.5
426.09280	1.2
433.13486	3.0
447.11273	0.6
459.11603	7.6
544.16504	0.8
545.12976	2.6
546.13672	3.4
561.16168	1.5
579.17291	65.4
580.17688	9.2
664.22632	3.8
690.20892	5.5
691.20190	1.3
810.26245	41.4
811.26434	8.4
811.40649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01264	3.0
61.98725	0.7
67.01765	0.4
71.01270	2.3
72.99184	0.5
73.02844	1.0
78.94759	0.3
83.01283	1.7
85.02856	1.2
87.00787	0.7
89.02361	1.0
90.75356	0.3
93.03351	0.4
95.01303	0.4
96.95913	6.7
99.00779	0.4
101.02370	1.7
108.02036	0.3
109.02894	0.6
113.02357	1.4
117.01858	0.3
117.03426	0.3
119.04941	1.0
120.01192	0.3
123.00804	1.6
123.47366	0.3
124.01629	0.5
125.02392	1.1
127.00261	0.7
128.03467	0.8
128.90089	1.2
129.01851	0.4
135.04449	0.8
137.02391	1.1
138.03180	0.5
139.00316	0.8
139.03941	0.9
143.03397	0.3
145.02893	1.0
147.04456	5.3
149.02408	1.1
149.05965	0.3
150.03159	0.7
151.00308	16.6
151.03922	0.6
152.00864	0.8
153.01868	0.3
153.05559	0.5
156.15787	0.3
160.01886	0.4
160.03992	8.2
161.02344	0.6
161.04364	2.9
161.05858	0.4
163.03964	0.9
164.04749	0.9
165.01921	1.8
165.05553	1.5
165.09131	0.4
166.02669	45.3
167.03011	1.7
173.02440	0.9
173.05930	0.3
174.03177	2.5
175.03964	25.9
176.04300	1.3
177.05499	0.5
178.06313	0.3
179.03432	0.9
179.07100	0.6
180.04210	1.0
181.05028	100.0
182.05356	3.5
188.04764	0.9
189.05559	3.0
190.06326	21.1
191.03566	0.4
191.06818	1.7
192.04285	0.3
193.05046	8.7
194.05608	0.9
195.06651	1.5
203.07152	0.7
205.05403	0.5
205.08685	21.8
206.09052	1.1
207.06653	0.9
208.07405	8.4
209.07996	0.7
223.06183	0.9
223.09766	23.6
224.10103	1.1
225.07794	0.4
249.79547	0.3
253.10944	0.4
269.04559	1.0
284.06885	0.4
297.04181	1.9
306.07626	0.3
309.04190	0.4
309.07791	1.0
311.05692	0.4
312.06458	3.1
327.08850	3.6
327.12463	0.5
328.09222	0.3
342.11182	4.0
357.13513	7.5
358.13925	0.6
366.08279	2.3
367.08737	1.9
375.14746	1.1
387.14886	0.5
390.08292	0.7
390.13245	0.8
391.08807	0.7
391.13998	7.8
392.14383	0.6
405.15634	6.6
406.15991	0.8
417.15579	0.9
434.07196	0.5
435.16821	1.5
545.27277	0.3
567.22192	0.4
585.23120	0.7
615.24603	9.3
615.34619	0.5
616.24823	1.3
627.23853	0.4
645.25739	6.3
646.26074	1.0
677.49249	0.4
807.29443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.7
58.17381	0.7
59.01267	9.2
61.98719	7.0
63.46225	0.9
65.00203	1.9
71.01277	7.5
73.02816	1.8
75.00766	2.4
83.01267	2.0
85.02836	1.2
87.00774	2.4
89.02341	2.4
93.03360	3.5
95.01340	0.9
96.95927	4.1
99.00751	1.5
101.02368	4.1
101.34886	0.8
104.90216	0.9
105.01839	1.5
107.01302	2.0
108.02085	1.8
109.02850	1.7
113.02380	2.0
117.03381	16.3
118.03706	0.9
119.03439	1.0
119.04933	1.5
125.02367	5.6
133.02859	1.6
134.03651	2.4
135.04416	3.3
137.02362	3.0
145.02901	1.4
147.04486	1.7
151.00328	6.9
151.03925	1.7
152.00920	1.8
153.01785	1.0
153.81494	0.8
159.04480	1.7
161.02371	3.1
163.04010	1.4
164.01091	1.2
165.03984	4.1
173.02420	8.5
176.13504	1.0
177.01880	1.2
185.02371	3.7
187.03964	3.2
189.01903	3.4
196.00156	1.2
197.02412	1.6
199.03801	0.9
202.09959	0.9
215.03513	4.6
217.01414	3.9
227.03490	1.1
241.01508	1.9
261.05731	0.9
261.11389	1.8
271.02533	1.1
271.06110	0.9
285.04044	3.2
286.04510	1.7
287.05121	1.1
293.04623	1.5
297.07822	1.6
305.04599	4.3
306.05380	5.4
307.06082	9.5
323.05560	1.5
335.05698	37.8
336.06058	3.5
337.07153	1.4
338.04333	1.4
353.06860	1.9
365.06802	7.9
395.11459	1.1
396.12137	1.7
411.14581	5.0
425.08856	84.5
426.09161	9.4
455.09720	1.9
457.11267	1.0
545.13129	100.0
546.13409	13.0
563.14209	10.1
564.14221	1.5
594.15851	1.9
595.16278	2.3
596.16638	1.9
807.28320	7.7
807.40515	1.3
807.43365	2.0
808.26855	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	805.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93642	0.3
59.01266	5.3
61.98713	0.8
70.75999	1.0
70.76360	0.5
71.01281	0.8
73.81728	0.3
74.24533	0.4
75.00732	0.4
84.03145	0.3
85.02860	0.8
92.43734	0.3
96.95911	0.7
101.02355	0.4
106.56035	0.3
107.04917	0.4
108.02061	0.7
109.02840	1.4
110.65112	0.3
113.02382	0.4
124.01562	1.4
125.02367	2.8
135.04411	0.4
137.02368	8.3
138.03151	3.0
139.03941	3.8
151.03932	3.0
152.01103	0.8
152.04732	2.5
153.01842	0.4
153.05496	0.9
161.04533	0.3
162.03128	0.8
163.03955	0.9
164.04697	0.6
165.05502	1.0
170.02184	0.7
176.04817	0.4
177.05527	1.6
179.03479	0.6
180.04247	3.4
181.05038	7.0
184.03700	0.9
191.07025	0.7
194.05811	2.6
195.06599	11.0
206.05811	0.7
207.06662	2.0
209.08125	3.1
237.07669	0.4
243.50313	0.4
253.10832	0.6
331.11722	0.3
361.12964	2.4
375.14578	1.4
391.14099	6.4
392.14511	0.5
406.16360	21.1
407.16660	2.1
421.18756	100.0
422.19135	9.9
583.24017	9.8
584.24500	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	805.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.7
58.15728	0.4
59.01265	6.9
61.98712	4.7
65.50259	0.5
67.01790	1.6
69.03334	0.5
71.01270	4.8
72.99217	1.0
73.02836	1.8
75.00768	1.0
76.79211	0.5
81.03366	1.0
83.01277	2.1
85.02828	2.8
87.00783	1.4
88.98695	0.6
89.02346	2.3
93.03368	1.8
95.01313	1.3
95.04949	0.6
96.95907	2.3
99.00780	0.9
99.04414	0.8
101.02322	3.7
101.57742	0.5
107.04965	0.8
108.02080	6.2
109.02865	7.5
110.02409	0.6
111.00795	0.9
113.02372	2.2
115.00279	0.9
116.92763	1.4
117.03356	0.8
119.01315	0.5
119.03403	0.7
119.04946	1.8
121.02872	2.3
122.06009	0.5
123.00838	2.6
123.04445	2.1
124.01569	1.0
125.02374	7.8
126.02721	0.9
131.04971	0.5
133.02858	1.1
134.03702	1.0
135.04433	1.8
136.01624	1.6
136.98795	0.6
137.02370	25.4
138.03006	0.9
139.00316	1.2
139.03969	1.8
143.03404	0.7
145.02962	0.8
146.08212	0.5
147.04483	0.5
149.02377	2.5
149.05995	0.9
150.03195	3.3
151.00307	15.2
151.03944	6.1
152.01093	9.7
152.04701	3.9
153.01935	3.3
153.05505	1.0
159.04453	1.2
160.03972	3.1
161.02377	2.6
161.04456	1.0
162.03047	1.2
163.03955	1.9
164.01109	2.3
164.04724	1.1
165.01883	100.0
165.05525	6.0
166.02667	38.3
167.03430	4.8
173.39511	0.6
175.02545	1.0
175.03978	3.1
176.01120	0.6
176.04668	0.9
177.01874	3.6
177.05486	2.8
178.02646	1.7
179.03465	21.2
179.07002	1.2
180.04242	63.5
181.05026	46.2
182.05360	1.9
184.03792	1.7
187.03964	3.1
189.05505	1.0
190.02702	2.0
190.06352	1.4
191.03477	1.8
192.01442	0.4
192.04199	2.2
193.05052	3.5
194.05798	5.2
195.03053	2.7
195.06606	85.0
196.06967	3.8
202.06343	1.0
203.03490	1.6
205.05045	6.8
205.08751	0.5
206.05659	0.8
207.06619	2.4
209.08092	1.2
210.05316	14.8
211.06059	1.0
217.05032	0.6
217.08582	0.6
218.05885	1.4
219.06569	1.5
220.07399	4.6
221.04559	0.7
223.06044	1.0
225.07689	67.9
226.08076	4.2
233.08240	1.4
236.06911	0.8
251.09148	0.7
253.05052	0.7
269.04678	1.2
270.05066	0.6
271.06119	0.9
283.06241	3.8
285.04037	1.0
287.05682	1.4
288.06039	1.1
289.06375	0.6
301.07370	0.6
309.04224	0.8
315.07364	1.4
327.08783	0.5
329.07138	0.6
335.05777	0.8
339.08023	0.6
341.10434	1.0
344.09106	0.7
345.09793	1.0
351.05054	1.2
353.49847	0.5
355.12195	0.6
357.09747	1.1
359.11359	2.1
366.08731	0.8
367.10422	0.9
372.12140	1.3
373.13052	1.3
386.13702	1.4
387.10117	5.8
387.15274	6.0
388.11273	1.2
399.74530	0.5
402.13275	4.9
403.14005	2.1
416.14896	3.6
417.15625	53.2
418.16046	6.6
429.10190	1.0
433.14999	1.0
441.08353	1.6
501.10629	0.8
550.18073	0.9
561.12457	0.9
565.16956	3.3
580.19305	1.6
595.21967	53.9
596.22290	8.1
599.22705	0.7
613.23297	1.5
621.94525	0.5
625.22833	1.0
643.24097	36.4
644.24310	6.0
715.27667	0.6
805.24951	1.0
805.40314	4.8
806.27771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	9.2
59.01261	11.3
61.98715	10.5
63.02251	0.8
65.00206	19.6
69.03325	1.2
70.21423	3.8
71.01275	10.7
72.99193	1.7
73.02811	1.5
75.00762	1.0
81.03368	5.6
83.01273	13.7
83.04865	0.9
85.02829	4.1
87.00772	1.7
88.98693	1.8
89.02326	3.7
93.03335	2.7
95.01269	2.7
96.95908	11.8
97.02855	2.0
99.00748	2.1
99.04383	1.2
101.02336	7.7
107.01299	19.1
107.04867	1.0
108.02111	4.5
109.02847	3.9
111.00768	1.4
113.02346	5.1
116.92731	2.5
119.03373	1.4
119.04927	3.6
121.02847	3.5
123.00758	1.1
123.04438	42.6
124.01567	1.0
125.02367	63.8
126.02694	2.8
131.01286	1.2
133.02817	1.6
135.04413	3.8
137.02342	3.2
137.06096	1.4
139.03937	1.4
143.03380	1.2
145.02875	1.2
146.03625	1.6
147.04506	1.1
148.30408	0.9
149.02328	3.2
149.05974	2.1
150.03162	1.7
151.00310	72.3
151.03900	3.5
152.01077	6.1
153.01819	3.8
159.04480	4.7
160.05251	5.9
161.02333	3.8
161.04497	1.8
161.05898	1.1
163.03886	1.7
164.98177	1.5
165.01836	3.5
165.05499	4.3
166.02625	2.4
167.03450	100.0
168.03722	3.3
169.01299	1.9
172.05254	7.3
173.05954	4.1
174.01588	1.1
174.03029	1.2
174.06714	1.5
175.00331	2.5
175.02368	1.3
175.03909	1.9
175.07671	1.0
176.04724	1.1
177.01823	3.4
179.03429	3.7
180.04173	1.2
181.04996	1.9
183.04396	1.3
185.05995	2.1
186.06744	3.5
187.03986	5.1
188.04700	2.5
189.05415	1.1
190.02541	1.6
191.03423	3.8
193.01387	1.9
193.04938	1.1
195.04449	0.9
195.06427	1.3
197.06064	2.5
199.03923	3.9
200.04758	7.4
201.05487	3.1
202.06258	2.8
204.04170	2.8
209.04530	4.8
213.09192	1.2
214.06340	1.1
217.01424	1.4
223.06061	2.2
224.04639	1.3
227.03520	9.6
228.04242	4.7
232.03754	3.7
233.04286	1.3
235.02437	2.2
245.11604	1.0
253.05132	1.7
255.06784	1.3
255.13943	1.7
257.15460	2.2
267.13998	1.4
269.04501	6.3
270.04855	1.8
271.06064	3.5
281.15384	1.3
283.13467	51.2
284.03024	1.6
284.13815	3.6
285.04053	6.9
285.15240	1.2
287.05542	2.9
299.05591	2.5
301.11267	1.1
301.14514	14.6
302.14810	1.0
309.04153	12.0
309.14987	12.0
310.04880	6.7
310.15521	1.2
311.05353	1.2
311.12982	24.9
325.14401	1.4
327.12296	5.8
327.16010	13.3
329.14014	57.6
330.14426	5.6
335.05582	1.5
335.12976	1.1
345.17328	4.8
353.14087	5.6
354.14325	1.2
355.10385	1.4
371.15063	19.2
372.15244	2.5
435.14569	4.4
453.15314	3.1
459.11584	10.8
460.11343	1.2
475.14706	18.0
476.15189	1.7
477.12405	1.5
479.17368	1.6
480.33972	1.1
481.31375	1.3
594.16046	1.6
643.24384	5.7
643.39532	1.4
644.23126	1.4
686.53265	1.0
761.26788	16.4
762.26257	2.3
768.99719	1.0
787.28259	14.5
788.28241	3.1
804.45325	1.4
805.29199	83.3
806.29620	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	805.294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	6.8
57.72311	0.9
58.99439	0.8
59.01263	10.0
61.98711	3.9
62.59778	0.8
63.02274	1.3
64.99902	0.9
65.00209	16.1
71.00964	0.8
71.01267	10.6
71.59792	1.1
71.60202	1.1
72.99186	2.1
73.02822	3.1
79.51338	0.8
79.79804	1.0
81.03351	6.0
83.01272	12.9
85.02828	3.1
87.00751	2.2
89.02322	3.2
93.03336	2.5
95.01264	1.5
95.04905	1.1
96.95894	7.5
97.02817	1.2
99.00733	1.1
99.04424	0.9
101.02335	3.8
105.03283	0.9
107.01290	23.3
108.02108	7.8
109.02898	4.9
112.16042	0.8
113.02340	3.3
114.20895	0.7
115.00249	1.0
116.92734	2.4
117.03364	1.2
119.04913	3.3
121.02837	1.8
123.03551	1.9
123.04440	39.8
124.01530	2.2
124.04741	1.8
125.02364	62.8
126.02654	2.4
133.02821	0.8
134.03635	1.5
135.04373	3.4
137.02385	4.0
137.05981	1.8
139.03896	1.2
146.03561	1.1
147.04401	1.0
149.02322	2.7
149.05984	1.8
150.03062	1.6
151.00305	79.8
151.03885	3.1
152.01111	13.2
153.01892	5.4
155.52635	0.8
159.02953	0.9
159.04405	2.7
160.03990	1.5
160.05190	5.3
161.02312	2.0
161.04459	2.2
161.05894	1.7
163.03922	1.8
164.04662	1.1
165.01964	4.6
165.03162	1.0
165.05438	3.0
166.02594	2.9
167.03445	100.0
168.03720	3.6
169.01326	1.6
171.04352	1.0
172.05241	6.9
173.05991	3.1
174.06703	0.8
175.00269	2.3
175.03894	2.0
175.07571	0.9
177.01816	3.2
179.03380	2.6
181.04890	2.3
183.04424	1.1
185.05983	2.7
186.06750	3.2
187.03963	5.6
187.07523	1.4
188.04691	1.9
189.01912	0.9
190.02592	1.0
191.03459	4.0
193.01335	3.0
193.04985	2.0
195.02975	0.9
195.06523	1.5
197.06058	1.5
199.04001	4.4
200.04739	6.8
201.05499	3.9
202.06256	3.4
203.06718	0.9
204.04161	2.4
207.02913	1.3
209.04547	4.4
212.08267	1.0
213.05515	2.0
215.03558	1.3
221.04439	1.0
222.03049	0.9
223.03992	1.1
224.04573	1.4
226.06226	0.8
227.03505	8.1
228.04320	5.7
232.03738	3.1
233.04301	0.9
235.02466	2.6
241.04980	1.2
253.05167	0.9
255.13831	1.3
257.15384	2.2
267.13919	1.0
268.03592	1.0
269.04510	5.5
271.06073	2.8
283.13449	56.1
284.03305	1.6
284.13907	4.7
285.04196	4.8
287.05515	1.2
301.11252	1.0
301.14532	18.6
307.06119	1.5
309.04071	12.6
309.15030	13.0
310.04755	6.6
311.12921	23.7
312.13345	1.4
319.15442	1.9
325.14590	2.4
327.12286	5.9
327.15948	12.9
328.16476	1.5
329.13989	59.0
330.14288	5.4
335.05457	1.0
335.12994	1.1
345.17026	5.1
353.14005	7.9
355.10532	1.4
357.08484	1.1
371.10477	1.6
371.15045	24.1
372.15369	2.2
375.27390	1.2
393.17340	1.0
425.08810	1.0
429.10172	2.3
433.13443	1.3
435.14383	3.7
437.12213	0.9
447.11115	0.9
453.15430	2.8
459.11575	11.0
460.11685	1.5
475.14627	17.2
476.14743	2.7
477.12811	0.9
479.16650	1.5
481.31287	1.3
545.12872	1.3
566.95685	1.0
594.15521	1.2
595.16144	2.0
596.16687	0.9
643.38879	2.3
646.67920	0.8
761.26764	16.3
762.26624	3.3
787.28210	12.3
788.28613	2.5
805.28961	82.9
806.29626	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.7
59.00992	1.5
59.01262	17.2
61.98710	5.8
63.02287	1.4
65.00208	15.6
69.27928	11.1
69.50449	1.0
71.01260	10.3
72.99189	1.3
73.02826	3.7
77.13356	1.0
78.92761	0.9
78.95795	1.2
80.42085	1.1
83.01272	9.2
85.02853	5.3
87.00750	3.0
89.02324	5.0
89.17468	1.1
93.03343	1.7
95.01280	2.2
96.95914	18.9
98.20518	2.0
99.00740	1.5
101.02354	5.4
107.01295	22.5
108.02085	2.4
109.02836	2.2
109.06444	1.1
113.02329	4.2
117.03359	1.7
119.04926	3.7
121.02827	2.1
122.03658	1.2
123.00775	1.4
123.04420	3.4
125.02376	25.2
132.02103	2.1
133.02847	2.7
134.03658	12.6
135.04442	5.9
136.05228	2.5
137.02335	3.8
137.06010	9.6
138.06326	2.8
145.02869	1.5
147.04431	1.7
148.05234	16.3
149.02359	3.3
149.05838	1.1
150.03136	1.1
150.06804	4.5
151.00310	71.2
151.07582	1.4
152.00751	2.5
153.01926	1.1
159.04361	1.2
160.01526	5.4
161.02419	2.8
161.04573	1.7
161.05917	1.2
162.03131	4.1
163.03940	2.2
164.01172	1.1
165.01833	4.9
165.05518	10.2
166.05852	3.4
167.03380	4.2
169.01376	2.3
174.03062	1.3
174.06813	3.4
175.00252	3.1
175.03972	3.5
176.04691	3.5
179.07172	1.6
180.04274	2.1
181.05029	1.4
185.05980	1.3
187.07532	2.0
191.03458	1.3
193.01363	1.9
199.03937	1.7
200.04736	2.7
202.06165	1.2
209.11781	1.8
211.13428	2.1
213.05518	2.0
215.07028	1.3
217.05013	2.8
235.02515	2.1
241.05090	1.7
253.05144	2.1
256.07217	1.3
257.15503	34.7
258.15741	1.5
269.04538	2.1
271.06134	3.2
271.17178	1.5
273.15091	1.7
273.18634	3.4
284.03268	2.3
285.04150	30.3
286.04584	2.0
287.05609	3.8
295.91699	1.1
299.16592	28.9
300.16968	3.2
301.10947	1.7
317.17648	24.6
318.18097	2.7
325.14575	2.5
327.16147	8.6
327.21866	7.5
335.05704	1.6
343.15634	11.1
345.17105	37.2
346.17352	3.4
353.14017	1.9
365.10428	3.1
371.15018	14.7
377.10187	1.4
383.07315	1.4
395.11417	17.9
396.11588	1.7
401.14224	1.1
421.13351	1.3
455.09763	2.3
459.11591	7.0
479.33960	1.4
480.34106	4.0
481.34756	2.2
497.18375	1.4
575.14166	2.3
583.23035	1.3
594.15918	3.2
641.39594	1.6
642.39410	3.7
643.23547	3.0
643.39606	4.9
761.43036	1.4
787.28937	1.2
804.44244	2.4
805.29407	100.0
805.44415	6.7
806.29767	28.2
806.43591	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	804.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.5
61.98716	100.0
62.98427	0.2
69.25233	0.8
69.25656	0.6
71.01281	0.4
85.02837	0.2
85.37780	0.1
96.95953	0.1
99.17072	0.1
108.02128	0.2
109.02851	0.2
111.36536	0.1
113.02357	0.2
137.02420	0.4
142.81566	0.1
151.00331	0.5
152.00995	0.2
153.01901	0.1
157.71202	0.1
166.02660	1.4
167.03003	0.7
168.03163	0.2
181.05035	2.8
181.06555	0.2
182.05327	1.3
183.05559	0.6
205.05093	0.2
301.62778	0.1
387.10617	0.1
388.11047	0.2
389.11655	0.1
403.13687	0.3
404.13757	0.2
417.15616	2.1
418.15976	3.6
419.16238	3.2
420.16479	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	803.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.4
58.00488	1.0
59.01263	23.0
61.98709	6.3
69.03332	0.8
69.71206	3.1
71.01269	41.6
72.01589	0.9
72.99199	1.0
73.02834	11.8
75.00750	1.4
81.03322	0.6
82.11166	0.5
83.01272	6.9
83.04923	0.7
84.64871	0.6
85.02842	19.5
86.02211	0.5
87.00773	3.8
88.98692	0.8
89.02336	9.2
93.03369	1.6
95.01287	3.8
96.95897	3.9
97.02854	1.6
99.00768	6.0
99.04367	0.7
101.02345	25.6
107.01320	0.7
108.02139	1.2
109.02866	1.5
111.00784	1.0
113.02354	18.0
116.92754	1.0
119.03426	2.9
119.04957	3.6
121.02859	1.0
121.06505	1.0
122.03608	0.6
123.00792	0.7
123.04433	1.9
125.02373	4.2
127.00383	0.7
129.01868	1.0
131.03477	1.4
133.02858	0.6
135.04430	2.4
136.05212	2.0
137.02382	1.6
137.06013	60.0
138.06331	2.4
141.09163	0.6
143.03426	2.2
145.02847	1.1
149.02324	0.8
149.06020	15.0
150.03169	0.9
150.06444	0.9
151.00317	2.8
151.03923	2.1
152.01064	1.5
152.04700	0.8
153.01819	0.7
159.02930	1.7
161.02469	1.1
161.04506	7.0
163.03981	1.2
163.07527	0.8
164.04733	2.5
165.05522	72.3
166.05876	3.7
175.02415	0.7
175.03838	0.7
178.06264	0.6
179.03477	0.7
179.05684	0.9
181.05035	0.6
183.13831	2.2
184.01089	0.5
191.07190	1.5
193.05119	0.9
195.06456	1.1
209.08144	0.6
211.45021	0.6
213.89320	0.6
223.06169	0.7
269.04739	3.0
271.06140	1.5
287.22415	1.8
299.05661	2.0
301.16470	1.1
303.19638	0.7
377.10410	2.6
449.29303	1.3
461.32889	1.3
464.31192	3.1
465.31781	0.9
479.33936	71.4
480.34204	11.8
581.40765	2.5
583.16205	0.7
599.17712	3.1
631.79993	0.6
632.30389	1.0
641.39197	61.6
642.39606	13.6
727.97961	0.6
743.46051	100.0
744.46429	19.9
803.28485	2.3
803.44025	12.8
804.28455	1.2
804.44366	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	803.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02010	0.1
59.01259	0.4
59.84404	0.1
60.40448	0.1
61.98703	0.5
71.01278	0.8
78.95805	0.3
90.53874	0.1
93.03370	0.3
96.95874	0.7
101.02345	0.2
102.79237	0.1
107.04937	0.3
109.02857	0.3
109.06496	0.2
121.02869	0.6
125.02395	0.2
133.02881	0.4
135.04454	0.4
137.02286	0.2
137.71107	0.1
148.01575	0.2
149.02379	1.0
151.03880	0.1
157.06534	0.2
159.04379	0.2
171.10190	0.2
173.06050	0.2
175.03941	0.3
207.10226	0.2
209.11697	0.4
211.13332	0.5
237.05502	0.2
241.04945	0.2
241.12299	0.2
243.13918	0.2
249.05566	0.2
255.06693	1.4
257.12012	0.2
259.97403	0.2
261.09323	0.2
267.03958	0.3
267.06693	3.9
267.09692	0.3
268.06964	0.4
269.11688	0.2
277.05283	0.2
277.08682	0.3
279.10468	0.2
281.08182	0.2
291.06723	0.2
291.10272	0.2
293.11929	0.2
295.09937	0.4
305.08154	0.2
309.08044	0.1
309.11246	0.7
309.20825	0.3
310.12158	0.8
311.12988	0.9
314.32944	0.1
317.08118	0.2
321.07550	0.2
349.07349	0.5
350.08078	0.3
363.08734	0.5
363.16132	0.5
364.09576	0.3
373.14508	0.5
375.08691	0.5
376.09357	0.8
389.10330	0.4
391.15604	2.9
392.15878	0.3
401.14105	0.7
403.12006	0.3
404.12668	0.5
417.13544	0.3
418.14392	0.2
419.15082	100.0
420.15424	11.1
521.71112	0.2
581.20404	39.6
582.20746	5.8
582.30121	0.2
803.21271	0.2
803.44073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.0
59.01264	25.8
61.98715	27.0
64.87725	0.9
65.00206	1.6
69.27899	10.6
69.91053	1.2
71.01268	25.5
72.99207	1.7
73.02834	7.4
75.00770	2.4
81.71371	1.0
83.01273	6.0
85.02843	13.9
87.00777	2.7
88.70112	1.0
88.98669	1.9
93.03362	1.5
95.01293	2.6
96.95911	5.4
97.02833	2.1
97.51313	1.3
98.19749	1.8
99.00776	3.9
101.02353	15.0
107.01299	1.7
109.02850	1.9
111.00806	1.5
113.02342	8.9
114.02635	1.3
116.92767	2.3
119.03443	1.7
119.04945	3.0
121.02892	1.8
123.04456	1.1
125.02393	5.3
131.03481	1.9
137.02338	1.3
137.05080	1.1
137.05972	6.2
145.02951	1.1
147.04411	1.1
149.02361	1.3
150.03421	1.0
151.00340	5.8
151.03900	1.2
161.02386	2.0
161.04492	1.9
164.04665	1.1
165.05493	8.1
171.10246	1.6
172.12807	1.0
185.77730	1.0
208.03656	1.1
209.35316	1.1
211.13354	1.3
271.06128	2.8
353.10260	1.5
409.13025	1.0
417.13464	3.3
438.19116	1.1
459.35104	2.9
477.32416	3.8
484.03006	1.2
545.13342	1.3
546.10760	1.2
546.37689	1.1
579.18195	4.4
580.17957	1.2
611.34283	2.8
612.36304	1.4
621.40521	2.6
639.39905	5.5
741.44238	4.0
800.86267	1.7
801.46600	100.0
802.47076	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	801.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.5
58.00460	1.2
59.01262	5.9
61.98714	52.6
70.68150	1.0
71.01274	4.2
71.52270	1.3
80.02549	1.2
83.04919	3.1
85.02846	2.0
101.02349	3.5
109.02833	1.4
113.02384	1.7
113.97240	1.1
125.09639	1.2
127.11145	1.6
135.04434	2.7
161.04538	2.0
163.11232	4.6
165.12724	2.0
175.52444	1.1
201.11304	41.6
202.11674	2.3
207.10228	2.2
209.11813	90.6
210.12155	4.6
225.11279	3.8
227.12866	12.4
235.08208	7.0
243.12566	2.2
253.09311	14.4
277.21783	100.0
278.22046	9.6
323.12546	1.4
337.14581	3.7
398.84384	1.2
437.20459	3.2
445.20920	3.6
461.32874	1.6
513.30798	4.9
739.42871	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	801.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	9.3
58.00480	0.4
59.01264	23.5
61.98713	2.5
68.99709	0.5
69.03342	1.4
70.72238	0.4
70.72611	0.4
71.01271	14.4
72.99192	0.8
73.02836	3.5
74.28921	0.2
75.00761	0.5
81.03356	0.9
83.01277	100.0
84.01607	1.8
85.02849	6.3
86.03160	0.3
87.00788	1.4
88.98678	0.3
89.02332	5.0
93.03349	0.8
95.01266	1.3
96.95921	0.7
97.02857	3.7
99.00776	1.7
99.04421	2.9
101.02348	17.7
102.02676	0.5
104.85247	0.2
107.01304	0.6
107.04938	0.5
108.02087	1.5
109.02893	1.3
111.00784	0.4
111.04423	0.3
113.02359	8.8
114.02673	0.4
116.92721	0.3
117.03363	0.8
118.69877	0.2
119.03424	1.4
119.04948	0.5
121.02887	0.9
123.00803	0.3
123.04417	0.7
123.94714	0.2
125.02366	19.2
126.02703	0.4
129.01897	0.2
131.03404	0.4
133.02882	0.5
134.03685	0.4
135.00810	0.3
135.04449	0.8
136.01540	0.3
137.02388	0.9
139.03911	0.4
141.01851	0.3
142.02666	0.2
143.03436	2.3
145.02859	0.3
147.04434	0.4
149.02403	1.2
149.06017	0.3
150.03151	0.6
151.00331	1.2
151.03938	0.5
152.01080	1.4
153.01915	2.4
153.05475	1.2
153.09085	0.2
155.03490	0.3
159.02937	1.0
161.02342	0.7
161.04497	10.3
162.04771	0.4
163.03932	0.4
164.04671	0.4
165.01866	0.4
165.05492	0.5
166.02592	0.5
166.83694	0.2
167.03505	1.2
173.02388	0.3
173.09608	0.2
175.03938	0.4
177.01906	0.6
179.03429	0.6
179.05605	1.0
179.06996	0.2
180.04170	0.2
181.04996	0.7
185.02393	0.3
189.01921	0.4
189.05484	0.2
189.12801	1.9
190.02690	0.5
190.50204	0.2
191.03439	0.4
195.06621	0.4
200.10303	0.2
203.05594	0.7
205.05103	0.4
207.13914	0.6
209.04379	0.2
217.01331	0.4
223.06157	0.6
225.07735	0.4
227.05527	0.9
245.06691	19.5
246.07033	1.2
259.02390	0.3
269.04556	0.7
269.06906	0.5
271.06067	0.6
287.07962	1.7
291.65100	0.2
293.04547	0.3
295.06134	0.3
297.04288	0.2
299.05444	0.3
301.03552	0.2
301.07193	0.4
305.04669	0.3
313.07104	0.3
315.07401	1.5
329.08823	0.4
331.11862	0.4
335.05646	1.3
339.07559	0.2
351.10895	0.9
365.06561	0.4
369.19455	0.4
371.09921	7.2
372.10284	0.6
387.20340	5.1
388.20599	0.3
413.10944	0.4
417.15689	0.4
425.08856	1.8
429.21478	0.5
453.22696	0.2
462.11078	0.2
471.22446	16.6
472.22812	1.9
513.23590	1.2
530.94238	0.2
545.05658	0.3
545.13153	1.9
546.13086	0.5
549.23236	0.3
563.13855	0.6
577.12781	0.5
639.17310	0.3
801.21979	0.6
801.35492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.0
59.01268	2.4
59.01522	0.5
61.98722	3.7
67.01758	0.4
71.01241	1.4
73.02836	0.6
78.95793	0.4
81.03352	0.4
83.01280	0.9
84.02045	0.3
85.02841	1.4
87.00779	1.4
88.98706	0.3
89.02350	1.0
93.03357	1.3
95.01278	0.8
96.95921	3.1
99.00822	0.4
99.02956	0.3
101.02354	1.6
107.04918	0.6
108.02076	2.3
109.02866	2.7
113.02374	0.7
117.03375	0.5
119.04907	0.6
121.02879	3.1
122.03665	1.4
123.00803	1.6
123.04424	1.2
124.01584	1.0
125.02380	2.9
130.99712	0.6
133.02873	0.8
134.03665	0.5
135.04457	1.0
136.01595	53.0
137.02431	8.4
138.03143	0.6
138.53137	0.3
139.00284	0.6
139.03943	1.3
145.02861	0.5
146.03709	0.4
147.04424	0.9
149.02370	1.5
149.05997	1.3
150.03096	0.3
151.00327	10.5
151.03951	70.4
152.01146	2.2
152.04333	2.9
153.01820	0.8
153.05544	0.4
154.02617	0.7
159.04424	1.2
160.05229	2.0
161.02341	1.6
161.04494	0.5
161.06013	0.7
162.03127	1.1
163.03932	1.6
164.04733	0.8
165.01897	1.0
165.05455	0.5
166.02673	37.6
167.03397	3.6
171.04536	0.4
172.05260	0.5
173.02391	0.9
173.06006	0.5
174.03149	0.7
175.02559	0.7
175.03947	2.9
175.07578	1.3
176.01143	0.3
176.04732	1.0
177.01903	2.7
177.05568	1.8
179.03458	1.2
179.07076	0.4
181.05028	53.8
182.05353	2.4
184.03650	0.4
187.03989	0.8
188.04796	0.4
189.05504	2.1
190.02686	0.6
190.06343	2.2
191.03442	2.7
191.07124	0.9
192.04172	0.8
193.05000	1.3
193.53734	0.3
195.02959	0.6
195.06566	0.5
203.03519	0.3
203.07094	0.7
204.04178	0.3
205.05107	2.9
205.08717	1.8
206.05873	3.1
207.06528	0.7
209.08041	0.4
220.07318	1.6
221.06131	0.5
221.08191	7.3
223.06061	0.5
233.08246	0.7
253.05122	0.7
254.04387	0.5
266.05927	0.5
269.04517	0.7
271.06271	0.6
278.05969	0.4
279.06686	0.5
282.05353	0.9
283.05820	0.4
284.06656	0.4
286.08652	0.4
287.05728	0.4
293.04587	0.4
294.05353	1.2
295.06061	0.4
297.07733	2.0
309.07855	2.2
311.09393	0.7
312.06491	0.8
315.07211	0.9
323.09167	0.4
324.10001	1.8
326.11609	0.4
327.08798	1.5
327.12180	0.6
329.10330	3.0
335.05603	0.4
339.07986	0.3
339.12555	0.7
341.14032	0.8
342.07468	0.5
342.11118	7.3
343.11676	1.4
354.10999	0.7
356.13028	0.4
357.09744	14.4
357.13544	31.8
358.10123	1.3
358.13873	3.4
369.13443	2.6
371.15240	2.1
372.12183	13.5
373.12671	1.9
383.05984	0.3
383.14908	0.5
383.64285	0.3
386.13812	0.4
387.14581	100.0
388.14920	10.5
401.15991	1.8
417.15747	0.4
425.08728	0.8
429.15582	0.4
495.33011	0.5
545.13275	0.7
559.95319	0.3
567.22424	10.6
568.23145	1.9
569.80145	0.3
579.22217	1.4
597.23560	52.5
598.23950	8.8
801.32367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	14.5
63.81603	0.4
70.31213	1.4
71.01272	1.5
85.02863	0.6
89.02345	1.2
101.02345	1.4
113.02338	1.0
161.04477	0.9
167.14354	0.6
176.78323	0.4
179.05521	0.8
183.13892	5.9
193.12340	1.7
211.13387	100.0
212.13733	6.0
235.08321	1.7
253.09315	5.1
277.21780	56.8
278.22116	5.2
429.21359	2.2
447.22476	12.8
448.22852	1.2
513.30713	1.1
707.43890	1.1
799.43536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.2
59.01264	23.1
61.98725	9.2
63.13754	0.8
66.11530	0.8
69.03342	1.7
70.46940	0.8
70.62145	2.7
71.01270	44.0
72.01591	0.8
72.99186	2.6
73.02833	12.8
75.00763	2.1
75.21886	0.8
80.06769	0.8
83.01283	8.6
85.02844	20.0
87.00779	3.6
88.98689	1.4
89.02332	9.8
91.22418	0.9
95.01277	3.9
95.58566	1.0
96.95921	6.9
97.02832	2.1
99.00777	6.1
99.04411	1.7
101.02345	29.8
105.53882	1.0
111.00775	1.4
113.01624	1.7
113.02355	19.3
116.92774	2.3
119.03442	2.0
119.04922	0.9
121.02840	1.4
125.02339	4.4
131.03401	1.8
135.04425	2.1
137.02371	1.0
137.06027	7.8
138.32669	0.8
143.03429	1.9
147.04379	1.0
149.02351	1.1
149.05968	1.4
151.00258	1.2
159.02939	2.1
161.04533	6.6
163.07661	1.2
165.05458	7.9
167.80324	0.8
182.06522	0.9
188.07062	1.9
209.11829	0.8
221.06607	1.4
253.05266	1.1
256.24069	0.9
269.04498	1.4
269.15814	0.8
271.06210	1.0
293.04385	1.1
311.05667	1.1
312.06494	1.5
350.11279	0.8
381.09769	1.0
430.16653	1.2
475.30429	5.3
493.31723	1.2
551.22675	1.3
577.37543	2.6
578.38208	1.0
637.35760	5.8
638.36737	1.2
739.42883	100.0
740.30011	1.7
740.43195	23.0
755.28925	4.8
756.30524	1.2
798.86346	1.8
799.19421	1.0
799.32385	2.2
799.45764	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	795.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01603	0.8
60.76726	0.3
61.98737	0.6
71.01266	1.9
71.58573	0.7
78.96455	0.4
83.01280	0.5
89.02375	1.4
92.41539	0.3
97.02850	0.6
101.02359	1.7
113.02360	0.8
119.03474	0.7
125.02389	0.9
125.42214	0.3
126.02697	0.4
141.01634	62.7
142.02065	0.8
143.03381	0.5
235.08192	0.6
243.04816	0.4
255.23376	4.9
337.23706	3.5
397.13541	9.7
398.13892	0.5
415.14706	2.0
419.11703	1.8
437.12778	3.4
592.11139	0.4
653.37537	1.7
654.38611	0.7
675.35797	3.6
676.36896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	12.8
57.21258	0.3
58.00480	0.5
59.01267	32.9
60.01617	0.3
61.98724	1.6
68.99700	0.7
69.03344	1.5
69.46561	0.2
69.59951	1.6
71.01272	25.0
72.99191	1.1
73.02833	5.9
75.00777	0.7
81.03346	1.3
83.01278	100.0
83.04910	0.3
84.01591	1.5
84.02032	0.3
85.02844	10.5
87.00781	1.6
87.04441	0.2
88.98701	0.5
89.02341	6.9
89.42712	0.2
93.03371	1.1
95.01296	2.4
95.04942	0.4
96.95925	0.8
97.02850	4.8
98.20564	0.3
99.00780	3.0
99.04420	3.0
101.02348	24.3
102.02675	0.5
103.43865	0.3
107.01340	0.3
107.04939	0.5
108.02095	2.2
108.05721	0.4
109.02890	2.0
109.06491	0.6
111.00804	0.5
111.04436	0.7
111.08114	0.3
113.02360	16.4
113.05994	0.8
116.92757	0.5
117.03382	3.3
119.03421	2.3
119.04893	0.4
121.02850	1.1
122.03686	0.3
123.00786	0.3
123.04459	0.6
123.08078	1.0
125.02370	20.3
125.06010	0.5
126.02705	0.5
131.03412	0.6
134.03661	0.7
135.04430	1.0
136.05232	1.1
137.02379	0.8
137.06001	0.5
138.06801	5.1
139.00313	0.3
139.07619	2.8
141.01843	0.3
143.03441	3.1
145.02927	0.3
147.04489	0.4
149.02382	2.5
149.06013	0.7
150.03041	0.4
151.00298	1.1
151.03943	0.7
151.07593	5.5
152.01151	2.2
152.04716	0.6
152.08379	8.6
153.01892	1.6
153.05551	0.9
153.09160	26.6
154.09496	1.4
155.03481	0.4
159.03014	1.4
159.04173	0.3
161.02400	0.7
161.04515	12.9
161.09756	0.6
162.04840	0.4
163.03941	0.7
163.11261	0.5
164.04755	1.5
165.05432	0.4
165.09151	0.7
167.03510	1.6
167.07036	0.6
173.02388	1.7
175.00377	0.3
175.02420	0.2
175.03941	0.4
176.01022	0.3
177.01929	0.4
179.03348	0.3
179.05577	0.9
179.06999	0.3
181.04993	0.4
185.02411	0.4
187.04031	0.7
187.11311	0.4
189.01964	0.8
189.09291	0.3
190.02586	0.5
190.09943	0.6
191.07141	0.6
193.05038	1.0
195.06551	0.3
197.02417	0.4
203.03702	0.2
203.05659	0.8
205.03508	0.4
205.05171	0.5
205.12326	13.0
206.12732	0.8
215.03459	1.0
217.01414	0.8
222.94009	0.3
223.06165	1.1
223.13393	9.8
224.13815	0.5
227.05640	1.8
228.06076	0.3
232.55641	0.3
239.03513	0.6
241.01637	0.3
245.06691	27.6
246.07062	1.4
267.02933	0.5
268.03845	3.1
269.04419	3.3
269.06528	0.5
271.06265	0.3
287.07971	1.4
293.04550	0.6
305.04700	0.9
306.05356	1.1
307.06094	1.4
315.07367	1.0
317.06876	0.3
335.05667	10.8
336.06000	1.4
353.06808	0.4
367.10709	0.4
367.17719	7.1
368.18161	0.8
371.09891	10.5
372.10284	1.0
383.07703	0.4
385.18768	31.3
386.19022	2.8
409.18887	0.6
413.10556	0.3
427.19803	6.5
428.20566	0.6
431.09875	4.1
432.10327	0.6
451.19669	0.3
455.09937	11.2
456.10376	1.7
467.23221	0.6
469.20871	25.3
470.21268	3.4
511.21957	2.9
512.22223	0.6
529.23138	0.8
575.14142	14.2
576.14886	2.2
593.15094	1.1
637.16223	0.8
679.17749	0.4
799.23560	1.5
800.22772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.7
59.00962	0.6
59.01262	8.7
61.98720	5.4
71.00611	1.0
71.01265	6.8
72.99176	1.0
73.02834	1.8
73.77196	0.6
75.00778	1.4
82.95300	0.8
83.01289	1.2
85.02821	2.3
87.00754	0.6
88.98714	0.6
89.02331	2.4
91.01785	0.6
93.03352	2.0
96.95905	1.4
98.45820	0.6
99.00777	2.3
99.04422	1.4
101.02348	3.8
108.02127	0.8
109.02871	1.4
113.02363	3.2
116.92674	0.6
119.01304	1.1
119.03349	0.7
119.04935	1.7
121.02847	2.3
123.04443	0.7
125.02340	3.3
132.02109	0.6
133.02881	1.2
134.03644	1.0
135.04408	2.1
136.01633	0.6
137.02370	2.1
145.02878	1.0
147.00774	1.3
147.04483	0.6
148.01527	1.0
149.02391	4.3
149.06044	0.6
150.03152	1.9
151.00284	1.4
151.03947	1.3
152.01100	1.1
153.05605	0.6
160.01485	0.5
161.02364	1.9
161.04510	1.3
161.06039	0.5
162.03151	0.9
163.03966	2.6
163.07660	0.5
164.04694	3.3
164.79350	0.5
165.05499	2.8
174.03107	0.8
175.00343	4.1
175.03938	2.2
176.01109	3.0
177.01895	2.9
177.05524	0.6
179.03380	0.8
179.07123	0.6
185.79298	0.6
189.01909	1.6
190.02692	13.3
191.03406	3.9
193.05046	0.9
193.08693	0.7
195.06577	0.9
202.02686	2.9
203.03665	1.1
205.03198	0.4
205.05035	12.1
206.05522	0.7
207.02888	0.6
209.04445	1.2
211.04121	0.6
214.02766	1.5
215.77704	0.5
217.08647	1.4
221.04549	1.1
223.06062	2.1
235.09813	3.5
238.06378	0.8
241.05086	0.6
253.05063	0.9
254.05733	1.0
266.06091	0.8
267.02997	1.0
269.04453	0.9
281.04620	1.5
282.05478	1.3
283.06168	5.4
285.04135	0.6
287.05542	0.6
293.04727	0.6
295.02896	0.8
295.06134	6.8
296.06802	2.0
297.04324	1.0
297.07715	2.6
298.05063	0.6
307.06104	0.7
309.04285	1.2
309.07632	1.4
310.04871	1.2
311.05576	3.1
312.06497	4.7
313.07248	7.5
321.07413	0.7
323.05673	2.0
324.06494	3.2
325.07224	8.4
326.07849	3.6
327.08682	3.5
335.09439	0.6
337.07254	5.5
337.10944	0.9
338.07977	2.5
339.08707	1.9
340.05759	1.6
341.06650	6.0
342.07538	3.8
343.08286	0.7
353.09610	0.8
355.08267	8.6
356.09048	2.7
357.09967	2.5
365.10291	2.2
367.10812	0.5
370.81827	0.6
377.10818	0.6
379.11996	0.8
381.09680	0.9
383.07428	0.6
383.11563	5.7
393.10077	1.2
394.10593	0.8
395.11407	1.8
397.12952	2.2
407.11569	1.5
408.12390	0.9
409.12903	1.8
411.10880	11.7
412.11615	6.0
413.12692	1.3
425.07510	0.7
425.12582	7.8
426.13379	4.0
427.13928	2.5
435.14667	1.1
441.11789	0.8
597.19843	0.9
617.43860	0.5
676.72296	0.6
735.38934	0.8
765.72510	0.6
783.29602	0.6
794.44244	5.2
795.25244	100.0
795.43298	6.5
796.25598	24.7
796.36835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
59.01267	6.3
60.99181	1.2
61.98720	4.6
65.00188	0.5
71.01275	4.3
72.99200	0.9
73.02839	1.2
74.69395	0.4
75.00738	0.8
78.95767	0.4
81.72644	0.5
83.01276	2.1
85.02834	2.7
87.00769	0.9
88.98689	4.6
89.02337	1.8
93.03360	0.9
95.01285	0.7
96.95908	2.1
98.19740	0.8
99.00774	1.4
101.02353	3.2
108.02081	1.3
109.02858	1.8
109.06524	0.5
111.00845	0.5
111.04417	0.6
113.02367	1.6
116.92811	1.2
117.03308	0.7
119.01308	1.3
119.04929	1.3
121.02860	2.3
123.04395	1.1
125.02381	3.1
126.01667	0.4
132.02106	0.5
133.02884	1.2
134.03670	2.2
135.04436	2.9
137.02359	2.1
143.03484	0.5
145.02893	1.3
147.00815	1.0
147.04443	1.2
148.01596	0.9
148.80727	0.5
149.02393	4.2
149.05969	1.0
150.03249	2.5
151.00299	1.1
151.03970	1.2
152.01068	1.5
153.01846	1.1
160.01501	0.7
161.02383	1.6
162.03207	1.0
163.03938	2.6
164.04716	3.5
165.01923	0.6
165.05458	1.8
167.03456	0.6
171.79427	0.5
173.02492	0.7
175.00342	6.7
175.03918	1.5
176.01126	3.2
177.01909	2.2
177.05507	0.7
178.06245	0.5
179.03485	1.2
179.07079	0.9
181.05067	0.6
188.72083	0.6
189.01950	1.4
190.02695	14.9
191.03462	4.4
193.05009	1.5
193.08598	0.8
202.02672	1.0
203.03363	0.7
204.04147	0.6
205.05069	12.0
206.05479	0.5
207.03008	1.8
208.03737	0.9
209.04503	1.4
217.08698	2.0
221.04568	0.8
223.06023	2.5
233.04483	0.6
235.09779	5.1
239.07092	1.0
253.04993	0.5
255.06642	0.7
265.05054	0.7
267.06613	1.0
268.07550	0.7
269.04529	1.4
271.06079	0.7
279.06564	0.8
281.04605	1.3
281.08264	0.7
282.05396	1.4
283.06165	4.7
284.06696	1.2
291.06659	0.8
294.05338	0.9
295.06140	9.6
296.06778	1.7
297.04507	0.8
297.07602	2.6
298.08148	0.5
299.05737	0.8
307.06198	1.0
308.06955	0.7
309.04053	2.5
309.07831	2.5
310.04794	1.5
311.05771	2.8
311.08752	0.6
312.06522	5.1
313.07239	12.6
314.07587	1.6
321.04010	0.7
323.05667	2.5
324.06287	2.8
325.07254	7.6
326.07855	3.3
327.08749	5.4
337.07193	5.6
338.07913	1.2
339.08618	2.2
340.05942	3.3
341.06738	10.7
342.07504	7.3
343.08127	1.4
353.06772	1.5
355.08298	22.1
356.08917	6.7
357.09814	4.8
365.10297	1.9
367.10577	1.0
372.05017	1.0
375.27753	2.7
379.11905	0.9
383.11319	3.8
384.11792	0.9
393.09988	1.3
394.10559	1.1
395.11349	0.7
397.12955	1.1
399.10611	0.6
401.14462	0.7
407.11435	1.0
409.12430	1.1
411.10956	10.2
412.11569	4.6
413.12424	0.7
425.12769	2.9
426.13364	3.2
427.14111	2.5
632.37274	0.6
706.20508	0.7
735.38495	0.9
777.23547	0.6
795.25214	100.0
796.25525	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	793.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.5
61.98713	0.3
68.29840	0.1
71.01279	0.3
71.53730	0.2
73.02835	4.8
75.00766	1.1
80.73363	0.1
81.09805	0.1
87.00781	0.2
89.02338	0.4
92.92806	0.2
99.00781	2.1
99.33592	0.1
99.92484	8.8
100.92521	0.5
107.18071	0.1
107.73959	0.1
114.93338	0.6
115.00326	0.3
115.03867	0.1
115.99783	0.1
116.03453	0.3
116.92774	100.0
116.97123	1.5
117.01850	9.8
117.05500	0.5
117.92776	4.1
125.02381	0.1
277.21652	0.2
281.30057	0.2
335.17630	0.1
397.13623	0.2
516.21820	0.2
705.07043	0.1
748.41724	0.2
757.27820	0.2
764.81976	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	793.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.3
58.00471	1.0
59.01262	12.0
61.98713	2.4
67.01777	0.5
68.99687	1.5
69.03329	0.4
70.48865	0.7
70.49264	0.7
71.01270	18.0
72.57074	0.3
72.99193	1.8
73.02845	1.5
75.00764	5.4
82.04037	0.3
83.00832	0.3
83.01270	2.1
85.02351	0.6
85.02843	9.2
85.03358	0.5
87.00772	1.1
88.98692	0.6
89.02338	5.3
93.03367	0.8
95.01288	2.3
96.95904	1.2
97.02801	0.3
98.95508	0.3
99.00779	13.8
100.01127	0.4
101.02345	2.4
108.02062	0.7
109.02866	0.9
111.00774	0.5
112.01575	0.7
113.02356	5.9
114.02652	0.3
115.00267	0.6
115.03958	0.4
116.92751	0.4
119.03393	0.5
119.04910	0.7
119.08322	0.3
121.02841	0.6
123.04401	0.3
125.02358	1.6
126.35541	0.3
131.03455	0.4
132.05779	0.3
133.02943	0.4
134.03668	0.4
135.04445	1.2
137.02336	1.0
138.53076	0.3
139.00250	0.6
139.12646	0.3
145.02838	0.3
149.02440	0.4
149.06013	0.4
151.00261	0.9
151.03893	0.5
152.01074	1.0
153.01839	0.4
157.01355	1.3
161.02321	0.5
163.03941	0.6
175.03857	0.4
177.01894	0.4
190.02765	0.5
193.04999	0.7
195.06647	0.4
223.06093	0.4
233.15475	0.6
268.83188	0.4
277.14401	0.5
285.03793	0.4
343.48654	0.3
355.15689	0.4
373.25992	0.4
409.09967	0.3
441.33682	1.2
444.67813	0.4
453.30209	0.4
467.31833	0.6
483.31039	0.9
485.32800	6.0
486.33295	0.8
513.32104	0.3
527.33795	1.3
553.35162	1.9
554.36493	0.4
567.33423	2.7
568.33685	0.5
584.36688	0.4
599.36230	2.7
617.37183	0.6
643.34985	5.9
644.35205	1.3
659.38306	0.6
661.35895	0.5
731.40369	3.7
732.39893	0.6
749.40021	0.7
793.40363	100.0
794.40649	24.4
794.56250	0.6
818.49689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.6
59.55785	0.1
61.98709	0.6
70.08722	0.1
71.01294	0.4
73.02838	2.9
74.53094	0.1
75.00762	0.3
79.59129	0.2
87.00770	0.2
89.02325	0.3
98.20678	0.3
99.00776	1.3
99.92483	9.3
100.92502	0.4
113.02328	0.2
114.93334	0.6
115.00249	0.2
116.92773	100.0
116.97161	5.8
117.01848	5.8
117.92778	4.5
229.20218	0.2
232.52472	0.1
265.05142	0.1
267.12991	0.1
277.21793	0.4
335.17584	0.7
379.46265	0.2
397.13376	0.3
427.20789	0.2
429.94238	0.1
473.10751	0.2
630.80359	0.2
755.12604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03337	3.2
58.00484	1.6
59.01266	34.8
60.01594	0.3
61.98487	0.2
61.98721	2.6
64.16817	0.2
66.15659	0.3
68.99699	0.3
69.47044	1.9
71.01273	23.1
72.99202	2.7
73.02831	2.1
75.00754	0.6
83.01283	2.1
83.04873	0.3
85.02847	5.9
87.00769	2.6
88.98705	1.0
89.02340	17.5
93.03336	0.3
95.01291	2.1
96.95900	1.1
97.02836	0.4
98.19807	0.5
98.95523	0.3
99.00787	1.4
99.04414	2.3
101.02351	14.0
109.02857	0.7
111.04405	0.3
113.02362	7.7
116.92760	2.6
117.01875	0.4
119.03418	6.0
119.04890	0.7
120.01161	0.8
121.02876	0.6
123.04460	0.5
125.02354	2.7
131.03450	0.5
135.04440	0.5
137.02350	0.7
139.00235	0.3
143.03458	1.3
145.02892	0.5
148.01578	0.5
149.02402	0.7
149.04472	0.6
150.03214	0.4
151.00270	0.6
151.03952	0.7
152.01062	0.7
161.02390	0.3
161.04517	1.7
161.05711	0.3
164.04659	0.3
165.01866	0.3
165.05475	0.5
167.03465	0.4
179.03368	0.4
179.05643	1.9
179.06924	0.4
185.06123	0.3
195.06668	0.3
201.01660	0.3
205.05092	0.5
217.08698	0.4
223.06116	0.7
243.06589	0.6
253.05092	0.4
259.06226	0.3
268.07172	0.3
269.04532	0.3
271.06100	0.4
285.07626	0.4
300.09723	0.3
305.08780	0.5
343.08249	0.5
345.22830	0.4
347.09283	1.1
348.09897	0.3
375.08783	1.2
376.09576	6.8
377.10007	1.2
379.14178	1.1
381.13669	0.4
390.10892	0.5
391.11960	19.0
392.12454	2.0
393.13641	0.6
409.13211	0.6
411.14743	1.6
487.34396	6.8
501.36115	0.4
543.18964	5.2
544.19171	0.9
545.13483	0.5
553.17224	0.9
571.18347	100.0
572.18695	17.1
572.27881	0.5
605.39465	0.3
705.23840	0.6
733.23633	2.1
793.28314	0.8
793.42206	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	791.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	26.9
61.98701	17.2
70.59242	33.8
70.59612	31.4
71.75690	13.4
102.79250	15.1
121.08887	13.9
121.20400	15.8
179.05589	17.5
208.36317	12.8
209.11774	84.9
253.09167	21.6
277.21686	100.0
791.42816	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	793.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
57.03326	2.9
59.01266	12.5
61.98708	7.1
71.00941	0.9
71.01270	8.7
71.56380	1.6
72.99171	1.3
73.02828	1.7
75.00753	1.8
83.01248	3.2
85.02850	4.1
87.00776	1.8
88.98676	1.8
89.02317	3.6
91.01795	1.3
93.03355	2.9
96.95918	4.4
99.00772	2.3
99.04421	1.4
101.02352	5.7
107.04881	1.0
108.02069	1.0
109.02814	4.1
113.02338	3.2
116.92770	1.9
119.01252	2.9
119.03463	1.1
119.04919	1.7
121.02884	4.2
123.04400	1.5
125.02354	8.4
126.95117	1.0
127.27661	0.9
133.02928	1.4
134.03633	2.1
135.04408	3.0
137.02325	3.5
143.03490	1.2
145.02777	0.8
147.00829	2.4
147.04413	1.0
148.01553	2.5
148.05244	4.7
149.02376	8.3
150.03098	2.5
151.00276	2.2
151.03914	2.5
152.01062	1.2
153.01839	2.1
161.02354	2.6
161.04478	2.3
162.03070	1.6
163.03877	2.4
163.51738	0.8
164.04709	6.4
165.01884	2.4
165.05487	1.9
166.02621	1.1
167.03409	1.1
174.01639	0.9
174.03096	1.0
175.00330	11.2
175.01880	1.2
175.02364	0.7
175.03864	1.5
176.01073	2.8
177.01825	1.6
177.05452	0.9
179.07080	1.2
180.04196	1.2
181.04907	1.5
190.02681	30.6
191.03374	6.0
193.05022	2.0
201.09286	1.0
201.11284	1.9
203.03391	0.8
203.10771	8.7
205.05061	28.4
205.08589	1.2
206.05504	1.1
208.03703	1.6
209.04561	1.6
209.11833	1.6
217.04930	1.0
223.06097	6.4
229.08678	6.4
233.08250	4.2
247.09787	8.0
253.05045	1.6
256.03561	0.9
262.36295	0.9
266.05890	1.4
269.04684	1.8
271.06314	1.2
279.07022	0.9
287.05658	2.8
293.04553	1.2
305.08029	1.1
307.06082	1.3
311.05414	1.2
323.05682	1.7
323.09229	1.6
324.06351	1.5
325.07104	1.3
327.21982	1.4
333.07977	1.2
335.05484	2.9
335.09262	1.9
337.07144	1.5
351.08493	2.1
353.06305	1.3
356.05386	1.4
362.08273	1.1
363.08618	2.6
364.09467	1.5
365.10281	2.6
367.10577	15.8
377.10373	2.2
381.09882	11.5
382.10333	2.0
391.08170	1.8
392.09058	1.9
393.09836	3.5
394.10599	4.5
395.11447	7.7
396.12112	1.5
397.13388	1.0
405.09924	2.4
406.10257	1.1
407.11612	1.4
409.09406	16.5
410.09991	8.5
411.10471	2.0
423.10873	12.3
424.11661	6.7
425.12558	12.7
426.12790	2.4
487.34528	1.7
631.23804	8.7
632.23883	1.6
702.26257	0.9
721.33801	0.9
775.22687	1.7
793.23584	100.0
794.23828	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	791.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03324	1.2
59.01266	4.4
60.49311	0.3
61.98709	1.6
65.00207	0.5
65.03808	0.3
67.72970	0.3
69.41926	0.3
70.86028	1.0
71.01270	4.1
72.99195	0.6
73.02843	1.0
73.48534	0.4
75.00763	0.7
81.03334	0.6
83.01260	1.8
85.02847	1.6
87.00762	0.8
88.98684	0.6
89.02329	1.5
93.03352	0.8
93.60429	0.3
95.01272	0.7
95.04941	0.4
96.95921	2.6
97.02819	0.4
98.95514	0.6
99.00790	0.9
101.02363	1.8
102.96448	0.3
107.04958	0.4
108.02095	1.1
109.02865	1.8
113.02353	1.4
116.92782	1.1
117.03373	0.5
119.04922	1.0
121.02874	0.9
123.00798	0.9
123.04416	0.7
125.02390	2.7
126.02683	0.3
128.03424	0.4
133.02991	0.4
135.02892	0.4
135.04430	0.8
136.01631	1.0
137.02390	5.5
138.03152	0.7
139.00294	1.3
139.03929	1.0
143.03384	0.5
145.02892	2.5
147.04440	2.1
149.02373	0.8
149.06047	0.7
150.03131	0.6
151.00323	1.7
151.03935	7.2
152.01089	1.2
152.04720	1.3
153.01889	1.8
153.05522	1.2
158.03618	0.6
159.04434	0.5
160.04015	0.8
161.02390	1.3
161.04520	0.9
161.06009	0.6
162.03143	0.9
163.03970	5.6
164.04645	1.1
165.01920	1.6
165.05501	1.2
165.09135	0.3
166.02725	2.1
166.06302	0.9
166.42912	0.3
167.03458	1.2
167.07057	0.5
173.02356	0.8
173.06046	0.4
174.03210	3.4
175.03967	18.3
176.01228	0.3
176.04727	3.5
177.01883	1.7
177.05537	3.4
178.02650	0.4
179.03467	2.6
179.07066	1.0
180.04254	13.2
181.04999	2.4
183.06616	0.5
184.03709	0.4
188.03271	0.5
188.04799	4.9
189.05557	9.2
189.07295	0.5
190.06335	25.7
191.03467	0.9
191.07106	18.8
192.04210	1.3
192.07513	1.1
193.05037	13.4
194.05824	13.4
195.06444	0.9
198.05399	0.6
203.07086	3.0
204.07582	0.4
205.08693	25.2
206.05852	0.6
206.09001	1.4
207.06622	10.8
208.07404	12.0
209.04500	0.7
209.07927	1.4
211.06065	0.8
221.08118	0.6
222.08998	1.2
223.06122	0.8
223.09695	1.8
253.05161	0.8
253.88770	0.4
269.04633	0.5
270.05399	0.4
271.06207	0.6
291.08780	3.5
311.05460	0.4
327.07642	0.3
328.09534	0.4
357.13876	0.5
359.11380	0.5
359.15787	0.4
369.10471	0.4
374.13803	4.1
375.14407	2.4
389.16144	100.0
390.16455	10.3
403.17929	1.8
405.15756	0.4
419.17203	15.2
420.17532	1.9
425.08878	0.4
439.19943	0.4
547.13287	0.5
599.25171	1.6
609.30359	2.3
609.80603	0.9
610.30438	0.5
629.26184	49.1
630.26569	10.0
791.29382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	19.3
60.01615	0.3
61.98711	0.9
65.00206	0.7
66.53522	0.2
67.01774	0.4
68.99712	0.4
69.56487	2.0
71.01268	3.5
72.99191	0.7
73.02837	0.5
75.00770	0.4
81.03352	0.7
83.01264	1.8
84.67551	0.3
85.02835	0.9
87.00742	0.7
88.98719	0.3
89.02335	1.2
93.03352	0.7
95.01283	2.1
96.95915	1.8
97.02853	0.8
98.20557	0.4
99.00772	0.6
100.50494	0.2
101.02350	1.9
106.00458	0.3
107.01303	0.3
108.02076	0.6
109.02860	1.9
109.23089	0.2
109.99975	0.4
111.00797	1.1
112.98734	0.5
113.02358	1.3
119.03437	0.7
119.04898	0.7
120.99234	0.6
121.02869	3.7
122.00016	0.6
123.00793	4.1
123.04458	0.3
125.02366	1.0
125.99584	0.3
127.00294	1.4
136.98750	1.1
137.02371	8.4
138.03130	0.9
139.00285	2.4
139.03940	0.9
141.01851	0.5
151.00305	0.5
151.03935	0.3
152.01076	0.8
153.01866	1.8
153.05521	4.8
153.99019	0.3
154.02713	0.5
155.03441	2.0
163.03940	0.4
165.01883	0.4
165.05553	0.5
166.02684	0.4
166.99805	1.8
168.00555	0.5
169.01312	0.4
175.02417	0.3
179.03516	0.5
181.01399	6.3
181.04996	0.3
182.02174	4.8
183.02959	3.6
189.12804	0.9
193.05186	0.4
195.06580	0.2
196.03778	1.1
197.04532	18.3
198.04863	1.1
210.01591	0.4
211.06120	0.5
223.06267	0.3
224.03253	0.6
225.04015	2.2
239.05641	4.5
255.05141	0.3
269.06741	0.4
279.65616	0.3
285.06241	1.0
299.07733	1.2
315.07242	0.3
326.06625	0.4
341.08911	0.6
537.20068	1.4
547.13843	0.3
552.22253	3.0
553.22607	0.6
567.24579	100.0
568.24933	13.4
593.15802	0.3
595.16516	0.3
770.16058	0.3
789.27209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.4
58.40677	0.2
59.01265	2.6
61.98713	0.9
63.04959	0.2
65.00208	0.3
67.01783	0.3
68.99686	0.2
69.58697	1.5
69.84928	0.2
71.01263	2.5
72.99199	0.3
73.02839	0.8
75.00748	0.3
79.13613	0.2
79.51165	0.2
81.03339	0.3
83.01281	0.9
84.02070	0.4
85.02822	1.3
87.00792	0.3
88.98708	0.3
89.02332	0.5
91.39349	0.2
93.03358	0.6
95.01286	0.6
95.45517	0.2
96.95911	2.0
97.02881	0.3
99.00802	0.7
99.04408	0.3
101.02333	1.2
103.54356	0.2
105.03334	0.3
107.04929	0.5
108.02090	0.4
109.02856	2.3
111.00791	0.5
113.02361	0.9
117.03378	0.7
119.04955	0.5
120.05146	0.2
121.02868	1.0
122.03664	0.4
123.00795	2.4
123.04412	0.5
124.01617	1.3
125.02371	1.6
131.04959	0.3
133.02914	0.3
133.06500	0.2
134.03662	0.6
135.04456	0.7
136.01579	0.4
137.02380	9.7
138.03119	0.8
139.00301	1.4
139.03951	2.3
143.03523	0.3
145.02963	0.2
145.71931	0.2
147.04460	0.6
149.02374	1.5
149.06003	1.1
150.03171	1.1
151.00313	17.0
151.03926	2.0
152.01128	2.1
152.04720	2.3
153.01875	0.9
153.05504	0.6
154.02643	0.4
158.03714	0.3
159.03343	0.2
159.04460	1.3
160.01666	0.3
160.03844	0.2
160.05223	0.4
161.02420	0.6
161.04492	0.5
162.03152	0.3
163.03993	1.0
164.04706	0.6
165.01930	1.0
165.05516	1.1
166.02670	71.5
167.03378	4.8
168.04182	0.3
173.02393	0.9
174.03146	0.2
175.02490	0.3
175.03947	2.6
175.07632	0.5
176.01176	0.4
176.04706	0.8
177.01920	2.9
177.05475	2.0
178.02600	0.8
179.03491	1.5
179.05673	0.2
179.07053	0.4
180.04214	0.4
181.05031	100.0
182.05383	4.1
184.03703	0.8
187.03973	1.5
187.77229	0.3
188.04803	0.5
188.47852	0.2
189.05519	0.6
190.02765	0.7
190.06346	1.9
191.03464	2.7
191.07007	0.3
192.04280	1.1
193.05008	2.0
194.02151	0.2
194.05794	0.5
195.02966	0.8
195.06635	0.9
203.03485	2.0
204.04109	0.4
205.05064	4.4
205.08604	1.5
206.05803	2.4
207.06587	1.9
209.04517	0.7
209.08217	0.4
209.11833	0.2
217.04977	0.7
218.05940	0.4
219.06621	0.9
220.03961	0.3
220.07410	3.4
221.04596	0.8
221.08186	5.3
223.06097	0.3
224.03351	0.4
233.08188	0.9
235.06038	0.2
235.09850	0.8
243.12308	0.2
269.04596	0.3
281.04752	0.4
283.10037	0.3
284.86765	0.2
296.06924	0.3
297.04147	0.3
301.07211	0.4
309.04196	0.4
312.06790	0.4
315.08734	0.4
316.09491	0.4
324.06393	0.4
326.07846	0.4
327.05005	0.4
327.08636	0.5
329.10330	0.7
339.08844	2.0
341.10248	0.6
342.07480	0.6
344.09207	0.3
354.11053	1.3
356.12753	0.4
357.09827	1.4
357.13391	0.4
358.10220	0.3
359.11368	2.3
367.10028	0.2
369.09613	0.3
369.13745	0.5
371.15186	0.3
372.07617	0.4
372.12204	5.9
373.12759	0.9
384.12277	0.3
386.13971	0.2
387.10770	11.1
387.14670	19.9
388.10364	1.0
388.15353	1.9
399.14737	1.4
401.16574	1.3
402.13239	12.7
403.13712	2.2
405.15701	0.2
416.14673	0.2
417.15625	85.5
418.15961	8.5
431.16971	1.1
545.13336	0.5
583.60327	0.2
597.23535	9.5
598.23950	1.5
609.23560	1.7
610.23743	0.3
627.24585	55.0
628.24939	10.0
650.46417	0.3
789.27393	1.0
821.68579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.6
61.98715	2.6
65.00217	0.3
67.01768	0.3
68.85471	0.3
69.75679	1.5
70.63189	0.3
71.01277	2.9
73.02821	0.6
75.73145	0.3
81.03350	0.3
83.01282	1.0
84.02047	0.3
85.02835	1.6
85.21835	0.3
87.00770	0.4
89.02342	1.1
93.03359	0.9
95.01270	0.7
96.95910	3.3
101.02348	1.2
107.04958	0.3
108.02067	3.3
108.40855	0.3
109.02866	3.6
111.00753	0.4
113.02347	1.2
119.03361	0.4
119.04974	0.3
121.02808	0.5
123.00808	1.9
123.04417	0.6
124.01617	1.4
125.02341	2.2
131.04906	0.4
133.02864	0.6
135.00891	0.3
135.04422	0.6
137.02367	9.7
138.03067	0.5
139.00314	0.4
139.03932	2.2
145.02888	0.6
147.04498	0.5
149.02394	1.1
149.06044	0.4
150.03064	0.4
151.00308	18.7
151.03926	2.3
152.01099	5.2
152.04735	2.3
153.01912	2.6
153.05525	0.7
154.02676	0.6
158.03580	0.3
159.04419	0.5
160.05278	0.4
161.02391	1.0
161.04506	0.5
162.03137	0.5
163.03984	1.3
164.04761	0.8
165.01904	1.7
165.05481	0.4
166.02664	69.0
167.03365	4.5
173.02426	0.9
175.03943	2.4
175.07568	0.4
176.01093	0.6
176.04698	0.8
177.01871	4.5
177.05527	0.9
178.02568	0.6
179.03464	0.8
179.07114	0.8
181.05023	100.0
182.05359	4.5
184.03758	1.0
187.03963	1.6
188.04811	0.5
189.05534	0.5
190.02719	0.9
190.06306	1.4
191.03452	2.8
191.07059	0.5
192.04216	0.9
193.05078	0.8
195.02968	1.0
195.06572	0.3
201.05502	0.3
202.02530	0.4
202.06291	0.7
203.03424	0.7
204.04262	0.6
205.05064	5.2
205.08713	1.9
206.05827	2.3
207.06624	1.8
217.04884	0.5
218.05891	0.3
219.06644	1.1
220.07426	2.6
221.04611	0.4
221.08167	5.5
224.03287	0.5
233.08167	0.5
235.09764	1.0
253.05122	0.4
269.04630	0.4
287.22354	0.9
295.06149	0.4
296.06537	0.3
301.07269	0.4
301.10632	0.4
309.04169	0.3
312.06500	0.8
315.07187	4.8
324.06583	0.7
327.08667	0.7
329.10297	0.8
339.08530	2.1
341.10477	0.4
354.11325	0.9
357.09753	0.7
357.13623	0.4
359.11368	1.9
369.09637	0.4
369.13666	0.7
372.12189	5.5
373.12592	0.6
373.26471	0.4
383.06158	1.5
387.10773	11.9
387.14651	18.3
388.10715	0.7
388.15253	2.0
399.14496	1.6
401.07498	0.5
401.16028	1.3
402.13223	12.9
403.13635	2.2
417.15616	75.4
418.15921	7.4
431.17175	1.2
549.96533	0.5
597.23529	8.4
598.23895	1.1
605.56744	0.3
609.23431	1.2
611.94861	0.3
627.24603	47.2
628.24969	8.8
745.37860	0.4
789.27594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
57.03316	1.5
58.00471	2.1
59.01263	36.7
59.95563	0.6
59.95869	0.6
60.01603	0.7
61.98720	5.3
71.01267	27.4
71.53744	1.1
72.99203	3.5
73.02834	1.5
77.24478	0.7
81.03340	0.9
83.01263	1.9
83.04939	0.8
85.02839	5.5
87.00757	2.4
89.02338	23.3
95.01237	1.7
96.95924	5.6
97.02845	1.3
99.00774	1.1
101.02343	16.1
109.02838	0.8
110.25365	0.7
113.02350	10.4
118.32890	0.7
119.03403	8.5
119.04802	0.9
125.02367	0.8
128.30040	0.8
131.03421	0.9
135.04456	1.4
135.08142	0.7
137.06013	80.5
138.06352	3.3
138.77528	0.7
143.03400	2.6
151.03972	1.1
161.04535	2.3
163.11218	1.1
164.04744	6.8
165.05519	86.4
166.05858	3.6
168.63290	0.7
177.81322	0.7
179.05554	4.3
183.13855	2.3
191.07149	2.6
196.03792	1.9
200.48802	0.9
209.11819	13.1
210.12198	1.0
221.06645	1.4
227.12894	2.0
235.08244	1.0
253.09242	2.1
291.19748	1.8
309.20773	4.7
445.33548	2.0
448.31967	1.9
461.32623	1.7
463.34378	51.0
464.34491	5.0
625.39886	9.5
626.40088	1.6
787.45007	100.0
788.45398	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	789.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
59.58424	0.9
69.03310	1.5
69.37081	9.2
70.84533	0.9
71.01270	4.0
72.99204	1.8
85.02853	3.4
89.02324	1.7
95.01299	1.9
98.19805	1.9
99.00774	1.7
106.00507	1.6
107.01301	3.9
108.02077	53.0
109.02898	10.4
111.00729	1.3
113.02333	1.6
119.26015	1.0
121.02865	13.6
123.00781	9.9
124.01587	5.3
125.02366	1.8
135.04457	1.9
137.02397	1.6
138.03157	10.7
139.03944	6.0
149.02376	4.2
149.32181	1.0
152.01093	100.0
153.01810	6.0
153.05516	10.8
163.03961	7.0
165.05431	1.3
166.02650	2.7
166.99806	4.9
167.03445	2.7
168.00604	8.7
169.26831	1.0
177.01889	3.5
179.03506	1.4
181.05031	1.1
182.02180	15.6
183.02953	31.9
197.04524	35.3
198.04819	2.2
230.74567	1.0
315.07358	3.9
429.10583	14.6
430.10748	1.8
443.11987	1.7
447.11404	5.6
471.11301	2.9
627.15826	66.3
628.16180	11.0
669.16913	5.1
716.62073	1.1
789.21057	21.4
790.21710	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	787.45
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03326	0.5
59.00988	0.4
59.01262	2.8
59.80803	0.3
61.98711	1.3
71.01256	1.6
71.54092	0.4
72.43485	0.3
72.99203	0.4
73.02839	0.5
75.00764	0.3
83.01274	0.5
85.02831	0.6
86.17237	0.3
87.00764	0.7
88.98715	0.4
89.02341	0.7
96.95911	1.0
99.04353	0.3
101.02353	1.0
113.02355	0.6
123.04399	0.4
125.02365	0.7
135.04462	1.0
136.05278	0.3
137.06007	84.6
138.06342	3.2
143.04622	0.3
148.05278	0.4
149.06046	0.8
151.03963	1.0
152.04716	0.9
161.04588	0.6
163.03923	0.5
164.04745	1.2
164.85602	0.3
165.05518	100.0
166.05847	4.5
173.05977	0.6
177.05553	0.4
178.06297	0.9
187.07622	0.4
191.07057	2.1
196.03815	0.4
209.11797	0.9
239.28563	0.3
257.13916	0.3
306.07578	0.4
307.07867	0.4
320.39209	0.3
395.11588	0.4
430.30600	0.6
435.35010	1.4
445.33279	2.2
448.32123	5.0
449.32211	0.7
461.32785	0.3
463.34384	90.2
464.34720	12.6
464.39819	0.2
464.41415	0.4
499.63635	0.3
625.39667	82.5
626.40070	14.6
626.48151	0.3
697.24982	0.5
787.28271	0.6
787.43390	0.7
788.42126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
55.13288	0.2
57.03351	0.2
58.66825	0.2
59.01253	1.4
60.29829	0.2
61.98725	1.0
70.73370	0.4
71.01254	1.1
72.99199	0.5
73.02834	0.3
75.00766	0.4
76.13188	0.2
83.01276	0.3
85.02847	0.4
89.02377	0.2
93.03333	0.2
95.10377	0.2
96.95911	0.8
99.00734	0.3
101.02335	0.6
109.02750	0.2
113.02321	0.4
113.99510	0.7
118.59064	0.2
119.04937	0.3
123.04456	0.3
125.02390	0.4
135.04451	0.9
136.05220	0.6
137.06007	84.3
138.06346	3.2
139.99197	0.2
149.05989	0.7
151.00272	0.4
151.03955	1.3
152.04729	0.8
156.00597	0.6
163.03938	0.3
163.07611	0.2
164.04707	1.7
165.05516	100.0
166.05879	3.8
173.06099	0.4
174.01630	1.7
175.02440	0.3
178.06361	1.1
178.71812	0.2
187.07616	0.3
188.08321	0.3
189.09076	0.3
191.07117	2.5
196.03706	0.3
209.11783	0.3
220.11009	0.3
368.45013	0.3
415.32004	0.3
421.25818	1.4
430.30814	0.5
435.34894	1.5
445.33273	2.4
446.33499	0.5
448.31882	4.0
449.32346	0.5
463.34369	90.8
464.34698	13.0
479.26846	0.4
625.39655	80.7
626.40002	14.4
626.48114	0.3
683.32324	0.3
772.00781	0.3
787.28979	0.3
787.45313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	100.0
66.03829	0.1
71.58003	0.3
133.13333	0.1
209.11827	1.0
210.12210	0.7
211.12444	0.3
277.21747	1.6
278.22144	1.2
279.22513	0.4
323.13022	0.2
324.19781	0.2
558.25555	0.2
786.49371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	12.8
58.03669	0.2
59.01262	3.3
60.29006	0.2
61.98718	3.7
62.44334	0.2
69.03330	0.3
71.01266	2.6
71.04927	0.2
72.90022	0.2
72.99205	0.2
73.02843	1.0
74.79885	0.2
75.00778	0.2
80.37020	0.2
80.96416	0.2
81.03344	1.4
83.01280	4.6
83.04937	0.4
85.02862	1.0
87.00802	0.4
88.98712	0.4
89.02332	1.0
93.03365	0.8
95.01289	0.4
95.04929	0.3
96.95914	1.5
97.02856	0.7
99.00790	0.5
101.02349	2.2
107.01324	0.5
107.04981	0.2
108.02074	0.8
109.02893	1.6
111.00834	0.3
111.04447	0.2
113.02353	1.3
116.92800	0.5
117.03365	0.4
117.92760	0.2
119.03426	0.4
119.04957	0.5
121.02866	1.2
122.03626	0.7
123.04433	0.5
124.01632	0.4
125.02366	100.0
126.02706	2.9
133.02893	2.3
135.04434	0.9
136.01581	0.8
137.02386	2.0
139.03928	1.0
143.03448	0.3
145.02956	0.2
147.04405	0.4
149.02371	2.9
149.06009	0.3
150.03174	4.8
151.00232	1.1
151.03928	1.0
152.01105	0.8
153.01860	0.4
153.05569	0.3
157.06392	0.2
159.04428	0.3
161.02388	19.2
161.04561	0.6
162.02742	1.0
163.00269	0.2
163.03969	0.5
164.04709	0.4
165.01907	0.8
165.05516	5.7
166.02658	0.5
167.03479	1.3
168.64006	0.2
174.01640	0.2
175.00349	0.4
175.03876	0.3
177.01904	2.2
177.05505	1.0
179.03502	0.3
179.07005	0.3
180.04207	0.5
181.04964	0.9
185.02435	0.6
190.02660	0.7
190.06262	0.3
191.03506	0.4
191.07242	0.2
193.01418	0.3
193.05009	0.2
194.02110	0.2
195.06607	5.1
196.06927	0.2
197.04424	0.4
201.05547	0.4
202.58740	0.2
203.03522	0.3
205.04994	0.6
205.08669	0.3
223.06136	0.5
229.01431	2.4
253.05173	0.3
255.06738	0.2
269.04608	0.7
271.02573	0.3
271.06131	0.2
283.06122	0.2
285.04095	1.1
286.04538	0.4
287.05667	72.8
288.06012	5.8
299.05688	0.6
311.05569	1.8
329.06812	1.3
353.06778	0.3
355.04459	1.9
357.13391	0.4
367.10339	0.7
372.12265	0.3
387.14645	1.7
425.08737	0.4
431.10028	0.3
449.10870	3.8
450.11227	0.5
473.11053	0.4
514.59814	0.2
517.09973	13.4
518.10107	1.8
535.19495	0.3
545.13129	0.6
583.21661	1.2
625.19885	0.3
706.33124	0.8
706.83264	0.6
776.11389	0.2
787.33881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	100.0
62.98426	0.2
71.52224	0.1
91.09710	0.1
94.84766	0.1
137.14955	0.1
147.71751	0.1
157.27068	0.1
159.69568	0.1
209.11812	0.7
210.12206	0.5
211.12447	0.2
214.24120	0.1
239.20279	0.1
277.21866	0.4
278.22128	0.4
279.22501	0.2
561.02771	0.1
659.62219	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	785.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.6
59.01270	7.0
61.98714	6.1
63.02286	3.0
65.00209	25.0
66.00541	0.3
68.99699	0.6
69.03335	0.3
71.01271	4.5
71.54558	0.5
72.99207	0.8
73.02850	1.6
75.00748	0.6
76.05669	0.3
81.03356	0.8
83.01276	11.6
83.04944	0.5
85.02827	2.2
87.00790	1.3
88.98735	0.6
89.02338	1.8
91.01780	0.6
93.03357	7.2
94.03733	0.4
95.01277	0.5
96.95918	3.1
97.02865	0.9
99.00780	0.8
99.04424	0.6
101.02333	3.3
102.86322	0.3
107.01295	32.7
108.02084	1.2
108.99228	0.7
109.02866	1.3
113.02360	2.4
115.03932	0.4
116.92770	1.7
117.03362	5.0
119.01305	1.5
119.04943	44.7
120.05285	1.4
121.02881	2.7
123.04429	0.6
124.01602	0.5
125.02365	9.4
131.01321	0.6
131.03430	0.5
133.02936	0.5
135.00816	0.7
135.04442	1.1
136.01591	0.9
137.02405	2.0
137.06035	0.7
139.03911	0.9
143.04951	1.3
145.02885	17.1
146.03287	0.7
147.00810	0.9
147.04483	1.1
149.02379	7.8
149.06024	0.6
150.03105	1.3
151.00308	100.0
152.00639	3.5
153.01817	0.5
159.04465	0.4
160.01546	0.3
161.02386	0.9
161.04591	0.8
161.06050	1.6
163.00284	1.3
163.03951	1.1
164.01093	0.6
164.04736	5.2
165.01894	5.5
165.05475	1.6
166.02480	0.5
167.03453	0.8
169.01396	2.8
175.00327	9.3
175.03964	0.5
176.01114	4.4
177.01904	7.6
178.02238	0.4
179.05632	0.4
179.07108	1.1
181.04967	0.8
185.06007	1.9
187.03969	2.9
189.01898	0.8
189.95857	0.4
190.02698	20.5
191.03448	6.5
193.01395	1.3
193.05022	0.4
194.02232	0.4
196.00078	0.7
199.07640	0.6
205.05045	19.4
206.05524	1.3
207.10252	0.4
208.03809	0.6
209.04543	0.9
213.64871	0.4
217.01427	2.6
221.08170	0.4
223.06116	5.1
227.07144	1.9
229.05200	0.8
235.02548	1.4
241.05238	0.5
253.05238	0.6
265.07181	0.9
268.03659	0.4
269.04611	3.3
270.05115	1.0
271.06180	32.3
272.06476	1.8
285.04434	0.4
285.07593	1.6
295.06046	0.8
313.07251	0.9
325.09570	0.5
332.79721	0.4
339.07285	1.5
355.08206	0.7
379.81601	0.4
393.07761	0.4
425.08640	0.7
426.13724	0.4
459.12698	1.2
479.33295	0.5
492.90356	0.4
513.16260	0.4
561.16522	0.4
579.17358	2.4
623.37231	0.5
639.19287	4.4
640.20264	0.7
665.17346	16.4
666.17780	2.6
691.18890	0.6
784.43292	0.4
785.23145	69.1
786.23462	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	785.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.6
61.98716	1.0
63.07561	0.2
63.52365	0.3
66.01028	0.3
71.01286	0.3
71.58747	0.4
77.03865	0.4
78.95807	0.3
89.00281	0.3
91.01777	0.5
93.03400	0.3
108.02024	0.2
108.90095	0.6
118.88515	0.2
119.04913	0.2
120.02075	0.5
121.02874	100.0
122.03200	3.3
136.01576	0.7
165.01881	2.0
180.05785	0.5
181.06558	2.4
191.03462	2.1
197.05997	0.3
197.11812	0.7
209.04549	68.5
210.04895	3.2
225.05571	2.1
226.06070	0.3
253.08875	0.2
272.60773	0.2
277.21756	0.4
277.72861	0.2
294.32382	0.3
313.07269	4.4
314.07642	0.6
357.06277	1.5
401.08865	10.7
402.08987	1.1
549.10803	0.7
575.11707	0.4
575.58362	0.2
580.52740	0.2
741.14587	0.5
754.23926	0.3
785.17590	1.2
785.44452	0.3
786.17920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03312	0.6
59.01263	15.7
61.98722	0.7
62.28463	0.4
65.65703	0.4
69.87460	0.4
71.01266	4.8
71.04890	1.4
71.46457	0.5
71.46799	0.4
72.99190	0.5
73.02832	1.3
78.95800	1.1
80.96405	1.9
83.01276	0.7
83.04900	0.8
85.02840	1.2
87.00765	1.3
89.02330	2.1
94.97970	0.5
95.04940	0.5
97.02853	6.4
97.06505	0.9
99.00777	9.5
101.02346	2.5
101.33957	0.5
109.06491	1.6
110.03651	1.1
111.23586	0.5
113.02345	1.6
119.03389	0.8
123.04433	0.5
125.02351	0.8
125.09640	2.8
135.08078	0.7
136.05244	1.3
142.02649	2.6
145.04921	0.6
152.94354	0.5
161.04494	1.1
161.09651	0.7
163.11234	7.6
164.11504	0.7
164.47733	0.4
179.10738	0.7
181.12305	18.4
182.12575	1.0
197.11885	1.1
199.13365	1.2
207.10251	49.0
208.10649	2.7
209.11819	0.8
225.11325	100.0
226.11650	5.1
235.08255	1.3
243.12415	11.6
244.12610	0.6
253.09341	2.5
255.23323	1.0
263.20026	0.5
277.21783	88.6
278.22144	6.3
281.14249	0.5
299.15076	1.1
317.16098	0.6
443.19266	3.9
461.20407	39.1
462.20709	3.1
577.37555	0.6
590.28961	0.5
721.41821	28.7
722.42596	4.8
749.90533	0.6
781.40344	2.6
782.41547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
58.00461	0.9
59.01263	12.0
60.99181	1.3
61.98720	9.9
64.28459	0.7
69.03339	0.8
69.27906	1.4
69.28313	5.5
71.01273	10.5
72.99177	2.0
73.02829	2.0
75.00755	1.8
81.03330	1.0
83.01273	3.1
85.02830	4.4
88.98704	4.9
89.02327	2.7
92.32855	0.7
93.03360	2.7
95.01269	1.5
96.95917	5.2
99.00754	1.7
101.02344	5.6
103.57774	0.7
104.04964	5.4
107.04991	0.9
108.02067	3.4
109.02854	3.3
111.00791	1.1
113.02376	4.0
116.92737	1.3
119.01681	0.7
119.03404	1.2
119.04918	2.6
120.04430	1.3
121.02872	1.7
121.44096	0.7
122.06010	2.0
123.04435	1.3
125.02352	5.4
131.77985	0.8
133.02864	1.2
134.03606	1.2
135.04417	3.0
136.01572	1.4
137.02371	4.0
145.02879	1.4
148.01556	1.6
148.03979	15.9
149.02357	1.8
149.05949	1.0
150.03171	1.7
151.00287	1.9
151.03911	1.3
152.01073	3.7
159.02946	0.7
161.02315	1.2
161.04431	2.6
163.03937	2.0
164.03439	0.8
164.04747	1.7
165.05516	1.0
166.03725	1.6
166.05063	28.8
167.05397	1.6
174.03160	2.3
175.03917	1.2
177.01929	1.7
181.05087	1.3
190.02676	1.3
190.05008	1.2
191.03215	0.7
192.03065	1.0
193.05037	0.9
202.02690	4.7
202.04372	0.9
210.04079	6.9
214.02660	1.8
233.84412	0.9
235.09875	1.3
245.37779	0.8
253.05156	0.8
261.61035	0.9
267.02969	1.3
267.06473	1.4
269.04544	1.7
271.05933	1.2
282.05356	1.5
283.06216	4.5
285.03961	1.1
294.05328	1.4
295.02881	1.7
295.06125	6.5
296.06796	1.9
297.07657	2.9
299.05673	1.4
308.07092	0.9
309.04343	1.6
309.07745	3.5
310.04700	2.5
311.05554	2.5
312.06436	5.5
313.07220	8.7
323.05591	2.1
324.06409	3.5
325.07190	8.2
326.07980	4.2
327.08752	2.6
337.07312	5.1
338.07587	1.7
339.08618	1.6
340.05661	1.3
341.06815	5.9
342.07339	2.6
355.08334	12.7
356.09091	3.7
357.09537	2.3
365.10370	1.3
367.08395	1.0
381.06082	1.2
383.11438	7.3
393.09985	1.3
394.10507	1.4
395.11475	1.1
397.13055	2.0
407.11523	1.8
409.13104	1.5
411.10928	13.5
412.11536	7.2
413.12628	1.2
425.12640	6.3
426.13354	8.1
427.13962	10.9
453.17096	0.9
519.15332	3.1
520.12897	1.3
529.18182	0.9
589.19373	11.3
590.19873	1.6
747.25330	1.1
764.21729	1.3
781.46912	2.9
782.23108	100.0
783.23389	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	781.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01263	13.3
61.98706	1.5
63.92690	0.5
67.36234	0.5
71.01267	4.6
71.54882	0.5
73.02838	1.4
75.00736	0.5
78.95794	5.8
80.02560	0.5
80.96410	2.6
81.03355	1.4
83.01272	1.0
83.04917	1.6
84.02070	0.5
85.02838	1.2
87.00758	1.2
89.02341	2.5
94.97970	0.5
95.25862	0.5
96.96875	0.9
97.02854	3.8
99.00784	1.1
101.02349	5.1
109.06503	14.0
113.02367	2.0
119.03436	0.5
121.06537	0.9
125.02281	0.5
135.08069	1.6
136.05237	0.8
142.02672	1.6
145.04990	1.1
152.99501	1.7
156.68091	0.5
161.04488	1.3
161.09665	1.2
161.16975	0.5
163.10001	0.8
163.11238	8.4
166.34492	0.5
181.12347	2.4
189.09184	2.8
199.13295	0.5
206.86853	0.7
207.10248	51.1
208.10616	1.9
209.11798	6.5
225.00751	0.7
225.11299	14.9
226.11653	0.8
235.08197	5.8
241.01241	2.3
241.94366	0.5
253.09340	10.6
255.23279	3.6
263.12909	0.6
273.07257	0.5
277.21786	100.0
278.22113	7.5
281.13931	1.1
293.21323	1.0
299.14935	0.6
409.01932	0.5
441.33902	0.7
443.19537	2.6
461.20621	3.2
485.32813	0.6
513.30786	1.5
625.10596	0.5
703.40881	1.2
721.41791	24.6
722.42206	4.7
755.75690	0.5
781.41339	12.8
782.41992	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	781.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.2
57.03337	4.6
57.97592	0.3
58.00476	1.6
59.01264	62.8
59.29457	0.3
60.01592	0.6
60.99199	2.9
61.98714	2.7
63.42955	0.3
67.01767	0.4
68.99710	0.7
69.03345	1.6
71.01270	63.7
72.01595	0.9
72.99196	2.8
73.02838	16.6
75.00764	1.1
81.02380	0.3
81.03355	0.5
83.01277	13.6
83.39352	0.3
84.02066	0.7
85.02843	32.3
85.99993	0.6
86.03173	0.7
87.00771	4.8
88.98698	16.6
89.02337	11.8
95.01285	5.2
96.95894	1.4
97.02847	3.5
99.00786	7.9
101.02346	41.2
102.02704	0.6
111.00774	1.6
112.01559	0.3
113.02357	26.3
114.02684	0.8
115.03893	0.3
117.03467	0.3
119.03422	3.3
124.01636	0.3
125.02365	5.4
126.02725	0.4
127.03905	0.5
129.01840	1.1
131.03426	1.1
135.04451	0.4
137.02338	0.6
139.00281	0.3
143.03444	3.8
145.13515	0.3
147.04420	0.3
149.02386	0.3
149.06050	0.7
150.03275	0.3
151.00349	0.5
155.03419	0.4
159.02933	4.8
161.04504	16.7
162.04872	0.4
165.05513	0.4
167.03337	0.7
179.05589	1.0
183.13876	0.5
189.22693	0.3
192.22438	0.3
205.03514	0.5
209.11819	5.8
211.13380	4.5
212.13657	0.3
221.06638	1.3
227.12929	0.7
253.09155	0.4
381.09897	0.6
397.13290	0.5
413.29993	0.6
415.32275	0.7
445.21136	0.4
447.22275	0.5
457.33356	3.2
458.33966	0.4
511.33936	0.7
533.21918	1.8
559.36237	1.0
577.37415	3.7
578.37891	0.6
619.38416	1.1
721.42267	1.0
722.41595	0.4
739.42896	21.8
740.43359	3.7
781.44006	100.0
782.44324	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49458	0.4
55.01770	3.7
57.03341	4.4
58.00482	0.9
59.01265	64.3
60.01594	0.8
61.98714	3.3
68.99699	0.8
69.03342	1.7
71.01270	58.4
71.56129	0.8
72.01611	1.1
72.99214	2.9
73.02834	15.8
73.73002	0.4
75.00774	1.9
79.55123	0.4
81.03347	0.5
83.01276	13.3
84.01610	0.4
84.02077	0.7
85.02843	31.3
86.03195	0.8
87.00780	3.8
88.98691	1.5
89.02335	11.0
93.03345	0.5
95.01289	5.8
96.95937	1.9
97.02859	3.3
99.00778	9.7
101.02346	42.0
102.02668	0.8
109.02862	1.1
111.00803	1.7
113.02357	26.6
114.02692	0.5
119.03426	3.6
121.02830	0.4
125.02374	5.4
126.02785	0.5
127.03956	0.9
129.01871	1.2
131.03450	0.8
137.02341	0.7
143.03450	3.7
149.06078	0.4
155.03461	1.0
159.02931	4.9
161.04501	15.5
169.20135	0.4
179.05600	1.0
185.04504	0.6
205.03540	0.9
209.11787	3.8
211.13406	3.2
221.06645	0.8
237.14981	0.6
323.22409	1.0
354.59894	0.5
413.30606	1.3
415.32394	0.9
511.34106	0.6
559.36621	0.7
577.37457	3.6
619.38727	1.7
620.38965	0.4
673.21680	0.4
721.42029	1.0
739.42920	21.5
740.42731	3.2
781.44025	100.0
782.44360	21.5
782.59033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.0
57.03338	21.9
58.00478	0.6
59.01266	32.4
61.98705	1.9
68.99698	0.4
69.03344	2.6
70.80813	1.2
71.01270	28.7
72.99201	2.6
73.02837	12.9
75.00765	1.2
75.26268	0.5
75.54047	0.4
78.95840	0.5
81.03353	1.5
83.01277	40.1
84.01614	0.9
85.02844	18.9
85.99994	0.5
87.00770	3.4
87.04393	0.5
89.02336	7.3
92.32647	0.5
93.03339	0.8
95.01297	2.9
96.95908	1.6
97.02850	6.1
97.84711	0.4
99.00784	6.3
99.04422	8.0
101.02348	31.8
102.02667	0.7
108.02081	0.5
109.02855	2.5
111.00794	1.8
111.04424	0.8
112.01585	1.3
113.02356	21.2
115.00303	0.4
115.03894	0.7
119.03413	1.5
119.04975	1.5
121.02898	0.5
123.04463	0.9
125.02369	27.2
126.02734	1.1
127.00239	0.5
129.01848	0.9
131.03429	1.0
134.03656	0.4
135.04420	0.8
137.02353	1.2
139.00342	0.5
141.01877	0.9
143.03435	4.2
145.02907	1.8
147.04440	0.5
149.02399	0.5
149.04495	0.6
150.03119	0.9
151.00340	0.9
151.03937	0.7
152.01108	0.5
153.05518	0.9
155.03421	0.7
159.02992	2.1
161.04507	13.8
161.05841	0.5
161.79239	0.4
165.05492	0.5
167.03444	0.6
169.08636	0.6
175.02452	1.0
177.01764	0.4
179.03473	0.6
179.05595	1.0
179.07080	0.5
180.04182	0.5
181.05011	1.2
191.05621	0.4
193.05058	0.5
195.06592	0.6
203.05589	0.8
205.05180	0.7
227.05585	0.7
230.08234	1.1
231.08621	0.5
235.11888	26.5
236.12245	1.6
245.06709	18.6
245.09276	0.6
246.07095	1.5
255.03125	0.5
269.06909	0.8
277.13016	1.8
287.07928	0.8
305.08865	1.2
329.09000	0.7
341.10974	1.9
349.15100	35.2
350.15369	2.9
367.16153	100.0
368.16495	8.6
369.12427	0.5
371.09940	8.4
372.10135	0.7
409.10165	2.9
409.17236	5.5
429.34164	0.4
431.12103	2.5
439.19876	0.9
443.17441	0.5
451.18259	1.9
493.19336	0.6
511.20618	0.6
691.67596	0.5
781.31500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05913	1.4
57.03337	39.1
59.01263	13.1
59.80230	1.2
61.98717	57.8
66.83238	1.5
67.73613	1.2
69.95866	3.6
69.96272	5.1
71.01268	10.7
72.99190	1.8
73.02833	2.7
81.03372	1.5
83.01281	2.7
84.13371	1.3
85.02857	3.1
87.00751	2.4
88.98700	2.8
89.02293	1.2
89.52608	1.2
96.95910	6.0
98.35543	1.5
99.00768	1.7
99.04409	10.4
101.02352	8.1
108.02077	1.8
109.02866	3.8
113.02368	4.4
114.01902	2.3
119.04943	1.8
121.02848	2.0
125.02364	8.5
132.02011	1.6
135.04434	7.6
147.04427	1.7
148.01573	4.8
149.02364	2.2
149.06058	2.0
151.03813	1.6
161.02359	1.7
161.04462	2.1
163.99878	1.4
165.05518	1.7
171.37164	1.3
175.03932	1.7
183.77155	1.2
225.77559	1.3
250.00447	1.5
267.06888	1.7
269.04660	2.0
279.06680	2.3
299.05667	2.6
323.05597	3.2
323.09076	2.1
325.07388	2.2
335.05695	2.1
343.15494	5.8
344.15811	2.4
349.06845	2.0
349.10831	5.5
350.11124	1.6
351.08737	2.5
353.06741	2.4
355.07874	2.0
355.15567	2.7
363.12402	2.4
367.11868	14.0
377.10532	1.9
379.11896	3.8
380.55518	1.5
381.13565	4.4
391.12021	1.9
395.11465	19.6
396.12192	67.5
397.12558	11.3
404.20959	1.5
409.13043	13.2
410.13766	16.5
411.14566	100.0
412.14832	13.8
451.14108	2.8
573.19958	58.4
574.20142	8.3
597.19159	1.5
615.20947	67.4
616.21228	11.4
655.24390	1.7
717.24158	72.5
718.24353	16.3
779.44897	1.9
780.27924	2.1
780.45270	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	780.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
59.01271	0.4
69.03351	0.1
69.45657	0.6
69.46064	0.1
71.01274	0.4
72.94334	0.1
72.99182	0.1
73.02850	0.1
78.22419	0.1
78.71246	0.1
83.01274	0.6
85.02845	0.2
91.01799	0.1
95.01278	0.1
96.95940	0.1
97.02871	0.5
101.02358	0.2
105.51864	0.1
113.02310	0.1
113.40110	0.1
116.04980	2.9
125.02373	1.8
131.03699	0.1
132.04527	0.2
150.78511	0.1
159.03166	0.8
160.03990	100.0
161.04343	4.9
174.05573	0.2
190.05237	0.1
202.05054	0.8
204.03014	3.7
205.03386	0.1
218.04576	0.5
228.02881	0.2
246.04100	0.6
268.06158	0.2
285.71695	0.1
304.08340	0.3
322.09369	2.5
323.09622	0.2
348.07416	0.1
364.10477	1.3
365.10608	0.1
366.08365	3.6
367.08591	0.2
406.11526	0.1
408.09500	1.4
409.09579	0.1
448.12610	0.4
450.10532	0.2
474.10580	0.2
492.11749	0.1
510.12744	0.9
511.13156	0.1
552.13519	0.2
594.14636	0.3
626.32678	0.1
654.17065	0.8
655.17963	0.2
762.19135	0.1
780.20142	11.2
781.20374	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	779.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.03348	2.0
58.00467	1.1
59.01263	17.3
61.98713	0.7
67.01805	0.3
68.99704	1.6
70.44154	1.1
71.01270	21.8
72.01599	0.3
72.99200	2.1
73.02829	2.9
75.00761	12.8
76.22127	0.2
82.90482	0.2
83.01265	3.8
85.02843	11.8
85.99960	0.3
87.00764	1.0
89.01834	0.5
89.02335	7.5
95.01286	4.0
95.12428	0.3
96.95891	0.4
97.02856	0.5
98.96429	0.3
99.00778	10.4
101.01710	0.7
101.02350	10.4
102.02699	0.3
112.01567	0.8
113.02350	9.8
116.92814	0.3
119.03412	2.7
125.02312	0.5
139.00302	0.4
157.01357	1.2
157.30971	0.3
161.04485	0.7
238.81981	0.3
300.45245	0.3
314.04199	0.3
407.63678	0.3
439.35809	3.2
440.36096	0.4
509.39960	2.2
599.39520	0.7
617.25189	0.3
779.46027	100.0
780.46375	18.0
788.63531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4603
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
55.01759	1.1
57.03331	1.7
58.00468	1.3
59.01265	21.6
60.01590	0.2
61.98718	1.5
66.63542	0.3
67.01778	0.4
67.24083	0.2
68.99709	1.4
69.03320	0.3
70.29140	0.2
70.29476	1.0
70.45733	0.2
71.01267	24.5
72.99198	1.8
73.02837	1.4
75.00761	12.4
75.01197	0.5
83.01269	3.0
85.02843	9.2
85.99991	0.4
87.00768	2.1
89.02335	10.6
89.06783	0.2
93.40543	0.2
95.01285	4.4
96.95937	1.2
97.02847	0.4
99.00778	10.2
101.02345	13.3
102.02673	0.4
108.90918	0.2
109.02889	0.3
111.00716	0.4
112.01571	0.4
113.02356	8.2
115.00266	0.6
117.78387	0.2
119.03437	2.5
124.05123	0.2
125.02360	0.5
129.01804	0.3
131.03439	0.4
131.35913	0.2
137.02390	0.3
139.00311	0.4
143.03432	0.3
146.88593	0.2
157.01381	1.4
161.04449	1.3
179.05499	0.3
406.57718	0.3
439.35947	3.5
440.36243	0.5
509.39917	1.9
553.39197	0.3
581.39093	0.3
599.39465	0.6
645.51166	0.2
779.46027	100.0
780.46301	18.0
802.33600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03336	33.4
58.00467	0.5
58.03662	0.7
59.01263	12.6
60.01601	0.2
61.98714	3.8
68.99707	0.4
69.03327	0.6
71.00916	0.6
71.01268	8.4
71.09280	0.6
71.09601	0.3
72.99184	0.8
73.02830	8.7
75.00739	1.0
79.05413	0.4
81.03339	2.3
83.01273	3.0
83.04919	0.5
83.65581	0.3
85.02378	0.3
85.02840	2.3
85.06446	0.4
87.00751	0.8
89.02316	1.0
95.01250	0.5
96.95896	0.5
97.06479	0.8
99.00758	0.7
99.04416	35.8
100.04721	0.5
101.02341	15.2
106.31203	0.3
111.00800	0.4
113.02369	2.4
113.05993	0.8
116.92726	0.7
119.03398	0.7
119.04951	0.6
123.04424	4.0
125.02364	32.3
126.02681	0.9
131.03424	0.4
135.04427	0.4
137.02368	0.4
137.05977	0.4
141.05457	1.0
143.03438	2.4
145.02934	0.4
153.05486	0.4
155.03426	0.4
161.04503	2.2
163.03911	0.3
165.05460	0.5
167.20393	0.3
175.02371	0.5
203.05598	2.0
229.08601	0.3
244.47348	0.3
304.06186	0.6
305.08832	8.1
306.09125	0.7
409.13144	0.5
411.13611	0.4
423.32660	0.4
471.34875	100.0
472.35226	16.9
485.36395	4.8
486.36819	1.0
513.36035	2.9
514.36334	0.4
555.36951	0.4
578.81750	0.3
633.40051	0.9
733.46423	1.6
734.46185	0.4
777.44476	18.0
778.44977	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	777.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.1
59.01265	16.2
61.98716	5.5
66.92833	1.0
68.99711	1.7
71.01264	19.5
71.52303	1.3
72.99179	2.6
73.02839	2.7
75.00774	12.1
78.95801	1.9
79.71395	1.2
83.01285	3.9
85.02848	14.5
87.00773	1.9
89.02335	6.8
89.07949	1.0
95.01279	3.4
96.95941	5.5
96.96471	1.0
99.00781	10.0
101.02345	11.3
113.02361	12.2
119.03441	1.4
157.01390	1.1
404.95663	1.0
435.14725	1.9
437.34128	3.1
777.44489	100.0
778.44666	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	777.242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.3
58.73785	0.8
59.01264	5.1
61.98720	9.8
64.18900	0.9
65.48172	0.9
66.80493	0.8
71.01250	3.1
73.02833	1.3
75.75960	0.8
78.90067	0.9
83.01283	0.9
84.01231	0.8
85.02857	2.1
87.00792	1.0
93.03350	1.2
99.04437	1.4
101.02330	2.6
107.04984	0.9
109.02907	0.9
113.02366	1.6
119.01270	3.0
121.02865	1.7
123.04446	1.4
125.02349	2.3
129.35291	1.0
130.04652	0.9
134.03650	1.0
135.04405	2.4
140.53906	0.8
147.00807	3.0
148.01607	1.3
149.02342	6.7
151.03818	1.1
161.02350	1.3
161.04533	1.0
161.05902	1.0
162.03171	1.2
163.03944	2.3
164.04739	7.9
165.01900	1.8
165.05481	1.1
175.00351	15.6
177.01811	1.7
179.07074	2.2
181.95972	0.9
189.01894	1.7
190.02695	42.4
191.03372	4.6
192.88629	0.9
205.05066	42.8
206.05415	2.2
209.04495	1.3
217.08672	6.0
223.06186	6.4
240.86316	0.9
255.06573	1.3
267.06583	1.2
291.10352	1.3
312.50665	1.0
319.09595	1.7
321.07666	1.3
323.05573	1.3
329.08240	1.0
335.09283	4.6
338.54813	0.9
347.09326	7.3
348.10092	1.4
349.10681	2.5
359.09140	1.5
360.10071	1.4
361.10852	3.3
363.08737	2.8
364.09848	1.9
365.05917	1.0
365.10336	13.7
366.10971	3.4
367.10431	21.2
368.10648	2.0
375.08704	3.2
376.09485	2.7
377.10361	3.7
378.11215	4.8
379.11819	5.2
389.10349	3.9
391.11972	2.1
393.09879	13.7
394.10629	19.6
395.11261	4.4
407.11395	8.3
408.12173	6.6
409.07874	1.1
409.13010	17.7
410.13278	2.9
467.17020	1.1
471.35001	2.3
516.88867	0.9
551.10608	1.1
559.14600	1.3
668.47626	1.1
777.24152	100.0
778.24487	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.9
59.01263	9.0
60.99188	0.7
61.98719	3.2
69.33145	2.7
69.33576	3.5
71.01266	8.6
72.99198	1.2
73.02828	1.7
75.00763	2.2
83.01279	1.6
83.04919	0.8
85.02855	3.1
87.00780	1.8
88.98703	1.6
89.02312	3.0
93.03368	1.6
95.01257	0.8
96.95910	4.0
98.19814	1.1
99.00764	1.5
101.02348	4.9
103.09661	0.7
108.02066	0.7
109.02855	0.8
111.00776	0.8
113.02353	3.4
116.92758	1.9
119.03419	1.5
119.04947	1.7
121.02868	1.4
125.02374	1.6
133.02872	1.3
134.03589	0.9
135.04433	1.6
137.02374	1.5
145.02890	1.7
148.01581	1.2
149.02368	1.4
150.03139	1.3
151.00293	1.9
151.03972	1.3
159.04486	0.7
161.04544	0.8
163.03957	1.7
165.05519	1.8
173.05972	0.8
175.03937	0.8
177.01877	0.8
179.03357	0.9
185.89629	0.7
189.01874	1.1
191.03419	0.8
191.07095	1.1
195.06644	1.0
201.01901	1.4
201.05463	0.8
203.07167	1.1
209.08083	0.8
213.01888	2.4
223.06111	1.2
229.05110	0.7
231.06630	1.9
239.07231	0.8
241.05087	0.7
243.06607	1.1
245.08232	0.7
251.07071	0.7
253.05136	1.3
253.08725	0.8
255.06673	1.0
256.07410	2.3
256.10095	0.7
257.08200	1.0
265.05133	0.7
267.06717	1.5
269.04691	1.3
271.06104	1.5
279.06769	1.2
279.10245	0.7
281.04715	1.2
283.06146	0.7
293.04703	0.9
294.05292	0.8
295.02853	0.9
295.06186	6.1
297.04214	0.8
297.11188	0.8
307.06195	7.5
308.06766	0.7
309.04205	0.9
309.07928	1.1
309.11407	1.6
311.05594	1.5
319.06302	1.0
321.07831	1.1
321.11292	0.9
322.04715	1.5
323.05649	4.0
323.09338	1.5
324.05853	0.9
325.07321	1.3
328.06039	0.8
335.05591	2.7
335.09396	2.1
336.10123	1.5
337.07172	1.8
337.10876	6.6
338.11407	0.8
347.09396	0.8
348.10281	1.0
349.10825	2.9
350.11850	5.3
351.08725	1.4
351.12390	2.0
352.09399	1.1
353.06647	1.7
353.10461	1.1
361.11005	1.3
362.11356	0.8
363.12753	1.0
364.09421	0.9
365.06628	1.0
365.10410	5.9
366.11057	3.4
367.11942	3.2
377.10199	3.7
378.11026	5.0
379.11896	7.8
380.12653	1.5
390.11218	1.6
391.11938	2.7
393.09851	2.0
394.10522	2.1
395.08139	0.6
395.11615	5.8
396.12204	8.0
397.12839	1.1
405.09546	1.2
406.10596	2.8
407.11371	3.2
408.12225	27.2
409.12952	23.8
410.13339	2.6
419.11475	1.6
420.12354	2.5
421.12872	6.6
422.13559	2.1
423.10718	8.6
424.11682	13.0
425.12451	1.3
437.12381	6.5
438.13388	7.5
439.14059	100.0
440.14374	14.3
451.13959	5.3
453.15628	3.6
467.13782	0.8
469.15125	4.1
469.22699	2.5
469.72516	0.7
481.19009	1.0
493.15195	1.3
509.18506	1.2
511.16324	3.0
512.16040	0.7
523.19879	0.8
524.20691	0.7
529.17261	69.3
530.17578	9.0
539.15936	0.8
571.18378	0.9
583.18347	1.1
584.18805	0.8
598.35022	0.7
601.19818	1.3
613.19470	7.0
614.20166	1.2
615.20697	1.2
625.19940	0.9
643.20453	58.9
644.20819	10.8
655.20398	1.0
657.25012	1.5
673.21460	4.5
687.26801	10.1
688.26654	1.6
697.21539	1.7
715.22504	3.8
716.23407	1.1
733.23663	20.0
733.38727	1.9
734.23914	5.3
777.29590	12.0
777.42584	1.2
778.29059	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	775.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.1
59.01265	0.6
59.19418	0.1
61.64297	0.0
61.98718	0.3
67.33183	0.1
69.47372	0.3
69.47800	0.1
71.01266	0.5
72.99172	0.1
73.02823	0.1
75.00766	0.1
76.86513	0.1
78.38254	0.1
78.95792	1.0
79.95623	2.6
81.03368	0.1
83.01263	0.1
83.02413	0.1
85.02840	0.2
87.00772	0.2
88.98692	0.2
89.02353	0.3
93.03356	0.2
94.98000	0.1
95.01221	0.1
96.95911	100.0
97.02833	0.1
97.95843	0.3
98.02376	0.4
98.95509	0.1
99.00816	0.1
99.87407	0.1
101.02336	0.3
107.01286	0.1
108.02068	0.4
109.02892	0.3
111.00775	0.1
113.02403	0.3
115.00275	0.1
119.04934	0.2
121.02884	0.1
123.04456	0.2
125.02351	0.6
134.03575	0.1
135.04469	0.1
137.02327	0.3
139.03970	0.1
149.02362	0.1
149.06061	0.1
150.03200	0.1
151.00299	0.2
151.03946	0.1
152.01085	0.5
153.01901	0.4
159.02901	0.1
161.02383	0.2
161.04535	0.1
163.03928	0.1
165.01894	0.3
165.04076	0.1
165.05519	0.1
167.03380	0.1
172.57420	0.1
175.02466	0.1
177.01881	0.1
177.05415	0.1
179.03435	0.1
180.04216	0.1
181.05066	0.1
191.03494	0.1
194.05939	0.1
195.06622	0.3
225.07693	0.2
253.05017	0.1
269.04672	0.1
271.06277	0.2
271.09998	0.1
285.03986	0.1
287.05634	0.3
300.02896	0.1
313.11041	0.1
315.04602	0.1
315.07419	0.2
317.07568	0.1
539.15717	0.1
545.13092	0.2
553.17322	0.1
613.23004	0.2
716.50861	0.2
775.20599	0.1
775.34332	0.2
775.47412	0.1
776.21637	0.1
776.34790	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	775.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02567	0.6
59.01265	6.2
61.98707	2.1
66.55590	0.6
67.01770	0.9
70.92234	1.5
71.01269	4.8
73.02847	2.1
83.01290	1.9
85.02854	1.4
87.00802	1.6
89.02340	2.2
91.63857	0.6
93.03371	3.0
93.84708	0.6
95.01244	0.9
96.31297	0.6
96.95927	3.8
99.00786	1.7
101.02352	2.5
107.04943	1.0
108.02092	2.8
109.02892	3.5
111.00803	1.4
111.04411	0.9
113.02337	1.9
119.04944	1.2
121.02851	5.9
122.03671	6.6
123.00784	2.5
123.04457	1.0
124.01569	1.0
125.02353	2.3
133.02831	0.9
134.03606	1.1
135.04457	5.7
136.00534	1.1
136.01590	22.7
137.02374	19.4
137.03435	0.8
139.00340	1.3
139.03911	0.8
141.84813	0.7
147.04381	1.6
148.01573	0.8
149.02374	6.9
149.05974	1.1
150.03168	30.5
151.00320	5.7
151.03943	28.2
152.01071	3.8
152.04457	0.9
153.01859	1.9
153.49057	0.7
154.05064	0.6
159.04485	1.1
160.01512	0.8
160.05246	1.0
161.02357	1.5
162.03172	1.5
163.03949	2.8
164.01089	2.2
164.04756	1.5
165.01884	93.2
165.05516	35.7
166.02660	20.0
167.03467	3.6
172.05257	1.3
175.02499	1.4
175.03990	4.5
177.01903	2.6
177.05495	2.0
179.03464	24.2
179.06999	1.6
180.04243	59.8
181.05013	25.5
182.05434	1.0
187.03923	0.9
188.04814	0.7
189.05528	3.7
190.06332	5.3
192.04272	1.3
193.05069	1.7
194.05814	5.5
195.02956	3.4
195.06604	100.0
196.06923	5.2
205.05028	1.8
205.08647	1.2
206.05719	1.5
207.06685	1.4
209.04720	0.7
209.08174	0.8
210.05318	11.2
211.05910	0.8
221.08105	1.3
225.07686	61.7
226.08168	4.1
282.05344	0.8
285.04282	0.9
297.04175	0.8
297.07498	0.7
309.07782	0.7
315.07272	1.3
324.10144	0.7
325.10797	0.8
342.11313	0.9
343.11954	2.1
345.09650	1.0
356.12585	2.8
357.09756	4.3
357.13510	7.0
358.09985	1.0
358.13953	0.8
359.11237	2.1
372.12189	3.9
373.12759	1.8
386.13794	3.8
387.14618	49.0
388.14929	5.3
402.13333	0.9
403.14069	3.1
417.15637	10.6
418.15869	2.1
438.44681	0.8
441.89508	0.7
520.17279	1.3
535.19104	1.1
550.18420	1.2
565.20905	54.8
566.21198	10.1
583.21588	1.1
595.22095	1.8
601.78333	0.7
613.23029	40.5
614.23663	6.9
731.38617	2.1
775.31042	2.3
776.28125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38282	0.3
57.03335	0.7
59.01265	2.6
61.98710	3.5
70.17381	1.7
71.01258	2.0
73.02823	0.6
85.02829	0.8
87.00795	0.7
89.02312	0.4
93.03285	0.4
95.01326	0.4
96.95923	0.8
99.00774	0.4
101.02354	1.4
108.02069	0.4
108.22055	0.4
113.02377	1.2
116.92728	0.7
119.01354	0.6
121.02893	0.9
125.02377	0.9
132.02130	0.5
133.02980	0.5
133.85962	0.4
135.04414	0.8
137.02385	0.7
145.02858	0.8
148.01544	1.1
151.00352	0.6
160.96956	0.4
161.02367	0.6
163.03920	0.5
171.10170	0.5
173.02318	0.5
187.03932	0.6
189.09296	0.5
201.01949	0.9
201.11308	0.6
203.07152	0.5
209.11790	1.1
213.01932	3.5
215.03601	0.6
225.05457	0.5
231.06656	1.3
239.03384	0.4
239.07066	0.9
241.05141	1.0
253.04961	0.6
253.09186	0.5
254.05864	0.5
255.06772	0.6
256.07483	1.9
261.11505	0.5
265.05084	1.0
267.03128	0.8
267.06540	0.9
268.03699	0.4
281.04669	1.0
282.05347	1.4
283.06287	0.5
293.04614	1.4
295.02444	0.9
295.05960	0.8
296.06964	0.5
307.06201	2.6
308.10809	0.6
309.03979	0.8
310.04788	0.8
311.05649	0.7
311.22290	0.6
314.04248	0.8
319.06308	0.9
321.04047	0.7
321.11084	0.6
322.04834	1.8
323.05585	2.5
323.09134	0.7
323.12964	0.4
324.06378	1.3
325.07181	0.8
328.05872	0.6
335.05685	2.6
335.09238	0.7
336.06387	0.6
336.10068	2.0
337.07178	5.0
337.10876	18.7
338.07410	0.9
338.11292	1.6
347.09256	0.6
348.09879	0.6
349.10797	1.0
350.11469	1.2
351.12332	5.3
352.12979	0.9
356.05569	1.2
363.08807	0.5
364.09476	1.6
365.10355	12.0
366.10950	4.7
367.11508	0.5
379.11908	19.4
380.12683	11.1
381.13388	3.8
389.14008	1.8
407.15277	5.8
408.15509	0.6
411.10486	0.4
417.13553	0.6
418.14316	0.8
421.16702	2.4
431.14954	0.9
432.16064	0.8
433.16760	0.6
435.14554	20.4
436.15222	5.1
437.16061	0.4
447.66724	0.5
449.16095	8.4
450.16818	7.5
451.17804	4.7
452.18625	0.5
468.17981	0.6
543.18884	0.5
613.23004	0.7
739.26282	0.6
740.27118	0.4
775.28345	100.0
776.28644	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	773.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64982	0.1
56.50552	0.1
58.27573	0.1
61.98709	0.3
62.74357	0.1
71.01269	0.3
71.50504	0.1
78.95794	1.8
79.70706	0.1
79.95627	3.0
94.98016	0.1
96.00790	0.1
96.95913	100.0
97.95840	0.3
98.02379	0.3
98.90620	0.1
118.96545	0.1
122.87612	0.1
125.16041	0.1
146.62273	0.1
152.20879	0.1
157.36008	0.1
167.59941	0.1
171.10097	0.1
217.00259	0.1
361.04370	0.1
435.08347	0.2
453.09482	0.3
593.26050	0.1
679.10815	0.1
713.30890	0.5
714.31622	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	775.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
58.35584	0.5
58.86391	0.6
59.00993	0.5
59.01263	7.2
61.98423	0.6
61.98717	6.7
71.01278	4.0
71.56204	0.8
72.99182	0.7
73.02831	1.3
79.38119	0.5
83.01276	1.2
83.04916	0.6
85.02827	2.0
87.00742	2.0
88.98673	1.6
89.02320	1.4
93.03326	2.4
95.01289	0.6
96.95877	2.2
97.02895	0.7
101.02324	2.5
107.01322	0.7
107.61671	0.6
108.02062	0.7
109.02802	0.7
113.02361	1.8
116.92748	2.0
117.03374	14.5
119.04932	1.1
125.02328	2.3
135.04402	2.1
137.02312	1.0
137.60431	0.6
145.02844	1.5
149.02380	0.9
149.05907	0.6
151.00276	2.1
151.03926	0.7
152.51157	0.5
153.01999	0.6
161.02382	2.1
161.04453	0.8
163.03937	1.4
169.06549	1.1
170.07281	0.9
171.10208	1.2
173.02379	5.5
177.05580	0.8
178.68474	0.6
185.02480	3.6
185.09744	2.8
185.11104	0.5
185.14076	0.6
187.03905	2.6
189.01874	2.2
197.02440	1.6
201.01901	0.6
203.03465	1.7
204.45476	0.6
209.11821	4.4
210.12137	1.3
215.03535	3.2
216.03877	0.6
217.01357	3.5
223.06032	0.7
224.98944	0.6
225.11195	0.6
229.08707	2.4
235.08081	0.9
239.03685	0.6
241.01466	1.1
253.09203	1.0
255.06564	0.7
261.05511	0.6
269.04523	0.6
271.02402	0.8
271.06293	1.2
295.06000	0.6
305.04700	5.6
306.05344	4.6
307.06183	8.3
317.04730	0.9
323.05884	0.7
327.21902	2.3
328.22079	0.9
335.05692	36.8
336.06122	3.6
337.07278	0.8
338.04022	0.7
365.06711	7.7
366.07358	1.1
397.13559	0.6
408.93228	0.7
425.08859	80.8
426.09253	7.6
436.15314	1.6
451.17661	2.3
455.09369	0.7
480.61386	0.6
545.13141	100.0
546.13519	11.0
613.22662	0.6
731.39240	1.1
745.93903	0.6
775.23962	4.7
775.43719	0.8
776.23596	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	773.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18939	0.1
59.01256	0.1
61.98714	0.5
71.01265	0.3
78.95802	1.8
79.95628	2.9
94.98018	0.1
95.97509	0.1
96.95916	100.0
96.96793	2.8
97.95847	0.2
98.02354	0.1
116.20129	0.1
116.98621	0.1
118.96539	0.1
134.69398	0.1
135.92116	0.1
175.30865	0.1
207.20380	0.1
207.47723	0.1
209.11819	0.2
277.21906	0.1
307.72852	0.1
397.13559	0.2
407.17499	0.2
435.08374	0.4
453.09521	0.7
530.40918	0.1
583.84302	0.1
593.26678	0.2
658.89050	0.1
667.47198	0.1
713.31042	0.9
714.31689	0.2
724.63623	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	773.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
59.01245	3.7
65.33204	1.0
67.74447	1.1
69.03319	2.4
69.47104	4.1
69.47526	4.2
71.01279	10.5
73.02825	3.1
75.00741	1.2
81.03338	1.3
83.01264	3.7
85.02795	2.6
87.00773	48.8
96.95876	2.1
97.02843	2.1
99.00777	3.7
101.02343	3.9
108.02064	2.8
109.02824	2.3
111.00076	1.9
111.00796	26.0
113.02329	1.9
121.02858	1.2
125.02335	2.0
129.01898	1.3
131.03459	1.1
137.02361	2.8
138.03163	1.6
147.02855	2.2
149.02295	1.9
151.03900	2.7
152.01102	2.5
153.01918	1.5
153.05486	3.4
161.02365	10.1
162.03082	1.1
163.03949	2.0
164.04724	7.6
166.02658	3.4
176.04749	7.7
177.01886	3.2
177.05501	2.1
179.03477	14.9
179.07088	11.9
180.03862	1.4
181.04971	3.0
191.01851	1.4
191.03444	2.9
191.07088	3.9
192.04256	1.3
193.05040	2.2
194.05815	18.8
195.06160	1.8
204.04352	1.6
205.05070	2.8
206.02074	1.9
206.05809	2.7
207.02969	1.6
207.06485	2.2
209.08194	29.1
210.08531	3.0
219.02933	4.3
219.06615	3.1
221.04561	2.5
221.08142	3.1
222.05283	4.0
231.03047	1.5
232.03668	1.5
234.05293	3.8
236.06831	1.5
237.07652	5.8
245.04515	1.8
246.13023	1.3
247.06136	2.9
249.03964	4.4
249.07767	10.3
262.04715	1.4
263.05371	1.2
264.06555	10.8
265.07230	8.8
277.07260	1.4
279.08813	10.5
291.08801	1.4
337.09348	5.5
475.16214	20.8
476.16962	2.7
535.18414	7.0
536.18982	1.2
547.17322	2.0
567.20776	2.1
593.18927	37.1
594.19250	5.7
611.18854	1.9
637.21790	6.1
638.21027	1.7
720.20270	1.4
773.25189	100.0
774.25458	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	773.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	5.4
55.71789	3.6
59.01255	6.3
66.20979	2.8
69.68356	17.7
71.01266	12.5
73.02831	6.8
83.01265	3.8
84.12653	3.0
85.02846	6.1
86.91920	3.1
87.00765	41.6
87.17478	2.9
89.02334	4.1
93.03353	4.2
99.00801	3.4
100.01525	5.2
101.02350	6.2
105.08945	2.7
109.02868	3.3
111.00772	12.6
111.19852	3.4
113.02358	5.2
123.00774	8.4
125.02340	6.8
137.02356	6.8
152.01086	4.3
153.01938	3.9
153.05530	5.2
161.02367	8.1
163.03992	7.6
164.04716	7.0
166.02628	4.9
176.04695	7.0
177.01953	3.9
178.06279	12.5
179.03487	7.0
179.07164	8.5
181.05037	8.5
190.06180	3.0
191.03487	19.9
192.04218	3.4
193.08714	7.9
194.05846	13.9
203.03340	4.8
205.05083	9.4
206.05913	21.2
207.06697	4.0
209.08125	19.6
221.08182	40.8
234.05315	3.8
237.07632	5.6
246.01736	3.4
247.02484	3.9
249.07790	9.3
249.90060	3.1
261.04160	4.7
262.04807	7.4
264.06445	8.1
276.06506	7.5
277.07269	14.8
279.08719	7.0
285.98254	3.2
337.09341	27.4
475.16177	21.3
547.18182	6.4
593.18939	45.4
594.19159	6.0
637.21869	5.8
773.25189	100.0
774.25397	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83216	0.3
57.03328	1.0
59.00989	0.4
59.01262	4.4
61.21946	0.3
61.53160	0.3
61.98717	6.6
65.00211	0.6
69.03337	1.4
69.62640	2.1
71.01270	6.4
72.99204	0.8
73.02841	1.8
75.00773	0.6
78.95800	1.5
79.01784	0.5
81.03349	0.9
83.01275	1.3
85.02842	4.8
87.00773	0.5
89.02341	1.4
93.03361	3.9
95.01283	2.4
95.04974	0.4
96.95921	0.8
97.02847	0.9
99.00785	1.2
101.02354	3.7
107.01302	1.2
107.04890	0.6
108.02076	60.7
109.02874	27.5
110.03197	0.8
111.00752	0.8
113.02362	2.6
119.03389	0.3
119.04965	2.1
121.02856	2.5
123.00793	1.6
123.04471	1.6
125.02368	7.7
132.02068	0.7
133.02895	3.4
134.03665	0.7
135.00812	3.4
135.04425	1.0
137.02361	3.2
145.02879	0.5
147.04451	0.6
149.02386	1.4
149.06131	0.4
150.03081	0.4
151.00305	3.7
151.03958	3.4
152.01089	77.5
153.01884	34.2
153.09149	0.4
154.02205	1.4
161.02397	1.3
161.04471	0.8
163.03976	3.0
164.04668	0.7
165.01874	3.4
165.05476	0.5
167.03423	0.7
169.01404	0.4
175.03929	0.7
176.01122	1.5
177.01892	29.7
178.02223	1.2
179.03407	0.8
179.07117	0.6
181.05051	0.8
186.19798	0.3
189.01996	0.7
189.03957	0.3
190.02742	0.4
191.03462	1.1
193.05037	0.5
195.03006	0.8
205.04999	0.6
217.04970	0.4
219.03067	0.6
223.06142	0.5
224.37856	0.4
225.03871	0.6
269.04590	1.3
271.06152	2.4
285.04318	0.4
287.05701	2.3
288.05865	0.3
293.04648	0.5
313.09473	0.5
315.07285	100.0
316.07578	6.5
317.06622	0.9
335.05966	0.4
339.07269	33.2
340.07571	2.5
340.24957	0.4
357.08444	1.0
365.85489	0.5
383.06262	33.0
384.06567	2.7
401.07318	21.2
402.07654	1.8
517.10101	0.5
579.17151	2.5
607.16266	0.5
663.53156	0.4
769.25787	18.4
770.26251	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	771.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01260	1.9
61.98709	0.8
69.03324	1.1
70.64211	0.2
71.01267	4.1
71.59167	0.3
71.59516	0.3
73.02845	1.5
73.91476	0.2
75.00791	0.2
81.03368	0.8
83.01269	0.9
85.02832	3.9
87.00782	0.4
89.02322	0.6
93.03354	1.0
95.01294	2.5
96.71783	0.2
97.02870	0.8
99.00807	0.7
101.02354	2.1
107.01305	0.5
107.04905	0.3
108.02074	62.3
109.02876	26.2
110.03191	0.9
113.02380	1.8
121.02888	2.1
123.00839	1.4
123.04445	1.7
125.02380	2.1
132.02075	0.7
132.21028	0.2
133.02892	3.3
135.00807	3.0
135.04469	0.7
137.02388	0.8
139.03859	0.3
145.02916	0.3
149.02373	1.0
149.06038	0.4
150.03099	0.2
151.00264	0.3
151.03941	2.3
152.01089	76.6
153.01878	34.5
154.02213	1.4
161.04497	0.3
163.03967	2.7
165.01875	3.5
165.05414	0.3
175.04044	0.3
176.01074	1.4
177.01889	31.3
178.02252	1.3
179.03468	0.4
181.05013	0.5
189.01932	0.4
191.03442	0.6
191.05533	0.5
193.01425	0.5
193.05032	0.5
195.03018	0.4
203.94681	0.3
207.02950	0.6
211.53697	0.2
219.02979	0.5
225.04083	0.7
231.03029	0.3
268.03918	0.3
269.04550	0.9
297.06067	0.5
315.07275	100.0
316.07593	7.4
339.07263	38.1
340.07608	2.5
357.08414	1.0
383.06259	38.7
384.06570	3.2
401.07315	22.0
402.07727	2.0
577.15417	0.4
705.84375	0.2
771.27350	17.5
772.27576	3.8
793.72070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75591	0.2
56.22097	0.3
59.01265	1.7
61.98709	0.6
62.99922	0.2
66.89908	0.2
70.90608	0.6
71.01272	1.2
73.02829	0.3
82.21387	0.2
83.01289	0.3
85.02838	0.4
87.00774	0.3
88.98714	1.6
89.02370	0.2
93.03353	3.0
99.52956	0.2
101.02357	0.6
109.02895	0.4
113.02374	0.4
117.03371	18.7
118.03701	0.8
119.04927	0.7
121.02884	1.9
123.04404	0.6
125.02364	1.0
131.04977	0.2
132.73193	0.2
133.02878	0.3
134.03683	0.8
135.04457	0.6
137.02400	0.3
145.02930	0.6
145.18880	0.2
147.04431	1.0
149.02379	8.7
150.02771	0.4
151.00272	0.3
152.01070	0.5
159.04459	0.4
161.02382	2.5
161.04500	0.3
161.05917	0.2
163.03935	1.6
164.04738	5.3
171.04556	0.4
173.02391	7.5
174.02699	0.4
175.00339	0.5
175.03989	0.8
177.02011	0.3
177.05525	0.7
179.03485	0.3
179.07082	0.8
183.04498	0.3
185.02406	4.0
187.03973	3.2
188.01212	0.4
189.01913	3.6
190.02513	0.7
191.03511	0.4
193.01416	0.9
197.02419	2.1
199.04002	0.4
201.01923	0.6
203.03490	2.0
205.05028	1.2
207.08095	0.3
208.03775	1.3
215.03513	5.0
216.03865	0.2
217.01402	4.3
223.06100	8.7
224.06366	0.3
225.15991	0.2
227.03487	0.7
235.07634	0.5
241.01500	1.5
243.02982	0.5
245.04549	0.7
251.07188	0.5
257.04593	0.3
261.05664	0.8
262.06146	0.4
263.07300	0.5
267.02917	0.3
269.04553	0.9
271.02567	1.0
277.05157	0.4
278.05792	0.4
279.06760	0.5
283.06064	0.5
287.05780	0.3
289.05087	0.4
293.04700	1.2
295.06042	0.5
296.06500	0.2
297.07758	0.3
298.04987	0.3
299.05536	0.3
305.04605	8.0
306.05310	6.4
307.06143	9.7
308.06577	0.9
311.05615	0.5
313.09393	0.4
315.07074	0.3
317.04370	0.3
319.06247	0.3
321.04169	0.3
321.07748	0.3
323.05658	1.0
335.05670	45.6
336.06039	3.4
337.07355	0.6
338.04361	1.1
339.05173	0.3
347.05606	0.7
353.06641	1.2
365.06714	8.4
365.28012	0.3
366.07089	0.8
367.08191	0.2
377.06732	0.7
381.08264	0.3
383.07666	0.7
385.11642	0.3
389.06757	0.4
395.07846	0.7
407.07996	0.3
425.08850	73.5
426.09183	7.9
443.09851	0.5
455.09915	12.6
456.10284	1.5
485.10977	0.4
545.13110	100.0
546.13477	14.2
563.14215	5.7
564.14417	0.8
575.14093	4.8
576.14642	0.7
593.14966	0.3
607.20721	2.5
651.25366	0.2
654.56024	0.3
668.06256	0.2
675.47278	0.4
684.87994	0.2
769.20007	3.0
770.20325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
59.01266	2.2
61.98722	0.5
67.04422	0.2
68.15405	0.2
71.01282	1.8
71.33990	0.3
71.34316	0.3
72.99185	0.3
73.02828	0.3
83.01266	0.5
83.90571	0.2
85.02843	0.6
87.00771	0.3
88.98681	0.3
89.02345	0.5
93.03355	2.6
96.95876	0.4
97.02854	0.3
99.00768	0.2
101.02366	1.0
102.89815	0.2
108.02068	0.3
113.02393	0.7
117.03379	20.3
118.03713	0.4
119.04942	0.7
121.02875	2.2
123.04433	0.3
125.02383	0.8
133.02939	0.4
135.04422	0.7
137.02377	0.9
145.02910	1.2
147.04440	0.6
149.02382	6.4
149.05922	0.3
151.00294	0.3
151.28929	0.3
152.01025	0.3
159.04507	0.5
160.03938	0.3
161.02408	2.4
161.04514	0.5
163.03973	1.0
164.04761	2.9
165.05467	0.3
167.03410	0.3
171.04520	0.3
173.02400	7.9
174.02798	0.4
175.00357	0.6
175.03963	0.5
175.95894	0.2
177.02045	0.2
177.05531	0.8
179.07101	0.6
185.02417	3.5
187.02441	0.4
187.03967	3.6
188.01109	0.3
189.01904	3.4
191.03484	0.4
193.01462	0.3
195.06592	0.2
197.02437	2.7
201.01926	0.8
203.03485	0.6
208.03780	0.4
215.03525	5.4
217.01410	4.5
223.06082	3.6
227.03551	0.4
229.01460	0.3
233.06110	0.3
235.07672	0.7
236.73717	0.3
241.01501	3.0
245.04539	0.4
251.07303	0.3
254.34215	0.2
261.05563	0.6
263.07162	0.7
264.04224	0.3
268.03900	0.2
271.02423	0.3
271.06168	0.3
277.05194	0.4
278.05756	0.2
279.06662	0.7
283.06155	1.0
288.04581	0.2
289.04883	0.5
291.06790	0.4
292.03891	0.3
293.04703	2.3
293.07965	0.4
297.07764	0.7
305.04614	7.4
305.20541	0.2
306.05359	5.8
307.06201	9.7
308.06583	0.8
311.05432	0.4
317.04620	0.5
321.07632	0.3
323.05719	0.6
331.04633	0.4
334.04706	0.3
335.05698	33.9
336.05969	2.9
337.06842	0.4
338.04282	1.2
347.05664	0.8
349.07263	0.4
353.06497	1.7
365.06711	9.0
365.11337	0.5
366.07062	0.8
377.06583	0.6
383.07709	1.0
389.06918	0.4
395.07782	0.4
401.14566	0.4
407.07758	0.6
425.08881	97.1
426.09207	11.6
443.09741	0.5
455.09769	1.0
485.11044	0.3
521.24158	0.4
545.13141	100.0
546.13470	13.8
563.06012	0.2
563.14142	5.8
564.14734	1.1
607.37238	0.3
665.37970	0.7
683.38995	0.4
769.19794	3.1
770.20227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96815	0.4
55.01769	1.4
55.62974	0.4
57.03337	17.3
59.01265	26.7
63.79573	0.4
69.03335	1.7
71.01271	24.7
71.53863	0.5
72.01638	0.5
72.99211	2.1
73.02448	0.6
73.02838	9.8
81.03351	1.6
83.01275	33.2
84.01595	0.6
85.02849	13.6
87.00780	4.5
89.02334	4.5
94.24098	0.5
95.01269	2.3
96.95919	0.9
97.02856	4.8
99.00785	5.4
99.04424	7.2
101.02348	26.4
109.02822	1.3
111.00763	1.4
111.04406	0.5
112.01646	0.7
113.02357	16.8
113.28986	0.4
115.00317	2.9
115.03886	0.7
119.03396	0.9
125.02367	23.5
126.02740	0.5
127.03856	0.6
129.01820	0.6
131.03436	1.1
135.04526	0.4
137.02399	0.8
143.03459	2.5
145.74586	0.5
149.04437	0.6
149.45242	0.4
149.51155	0.5
155.07079	0.8
157.01460	0.8
159.02957	1.6
161.04498	12.2
165.05679	0.5
167.03496	0.9
173.04514	0.9
175.02446	8.8
181.04962	0.4
191.03462	0.5
200.31349	0.4
221.10307	28.0
222.10643	1.5
227.05447	0.5
245.06689	16.6
246.07063	0.9
263.11462	1.7
287.07825	0.8
329.08926	0.8
335.13550	36.5
336.13968	2.6
353.14615	100.0
354.14935	6.2
371.09940	9.1
372.10333	0.8
395.15723	5.2
431.12210	2.3
437.17065	2.3
438.17499	0.6
479.17859	0.6
519.24963	0.5
663.28601	1.8
681.30249	1.2
723.30859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18673	0.2
56.43664	0.2
57.03342	3.2
59.01264	3.3
61.98715	2.7
65.00211	0.3
69.03362	0.3
69.06221	0.2
71.01271	3.2
71.56618	0.2
72.99196	0.6
73.02842	0.5
75.00758	0.4
79.81779	0.3
81.03357	0.4
83.01279	1.0
85.02851	1.4
87.00768	0.9
88.98704	0.4
89.02356	0.9
89.03860	0.6
93.02419	0.2
93.03358	5.6
95.01286	0.7
96.95922	0.3
97.02857	0.5
98.92964	0.2
99.00761	0.9
99.04437	0.5
101.02335	2.0
107.01305	0.2
107.04902	0.6
108.02086	0.9
108.71278	0.3
109.02880	0.8
111.00824	0.3
113.02375	0.9
117.03378	20.6
118.03742	0.7
119.04939	1.0
121.02880	2.6
123.04430	0.8
125.02354	3.6
132.02106	0.3
133.02863	0.8
134.03668	6.5
135.04488	1.5
137.02382	1.0
145.02866	1.3
147.04475	1.3
149.02383	13.9
149.06062	1.1
150.02716	0.5
151.00314	1.2
151.03970	3.3
152.01074	0.8
153.01926	0.5
153.05484	0.3
159.04428	0.7
161.02374	3.6
161.04506	0.8
163.03972	2.1
164.04744	12.3
165.01950	0.4
165.05225	0.5
168.04285	0.3
171.04468	0.7
173.02405	12.5
174.02798	0.8
175.00352	0.8
175.03979	0.8
177.01926	0.9
177.05501	1.1
179.03404	0.3
179.07114	1.1
185.02406	3.6
187.02454	0.2
187.03995	4.5
189.01938	5.1
189.03783	0.4
190.02664	2.2
191.03491	0.7
193.01350	0.4
193.05032	2.6
197.02412	3.3
201.01947	0.7
201.05330	0.3
203.03511	1.1
205.05022	2.1
213.01988	0.5
214.02641	0.3
215.03488	6.4
217.01424	5.1
223.06113	20.9
224.06378	1.3
227.03685	0.4
233.12054	0.2
235.07729	0.7
241.01466	2.6
245.04559	0.3
245.74463	0.2
251.07201	0.5
257.04688	0.4
261.05655	0.7
262.06226	0.4
263.07178	1.5
264.04288	0.3
265.05316	0.4
265.46579	0.3
267.02988	0.3
269.04651	0.5
271.02625	0.4
271.06137	0.5
278.06052	0.3
279.06674	1.1
283.06107	0.5
285.03873	0.4
285.85904	0.3
287.05737	0.9
289.05099	0.6
290.05881	0.3
291.06827	0.4
292.04068	0.3
293.04605	2.7
294.05051	0.4
295.06076	0.6
297.07693	0.6
305.04633	7.9
305.08209	0.4
306.05380	7.4
307.06165	11.8
308.06589	0.7
309.07788	0.4
311.05536	0.7
313.09387	6.0
314.09583	0.5
315.07242	1.1
317.04633	1.0
319.10275	0.4
323.05548	1.5
325.07285	0.4
333.04034	0.3
335.05682	83.5
336.06018	7.6
338.04370	1.7
339.07620	0.5
347.05725	0.5
349.07391	0.3
351.05234	0.4
353.06537	1.8
357.26105	0.3
365.06729	2.4
366.07120	0.3
377.06833	0.8
381.08383	4.5
383.07864	1.2
395.07455	1.9
406.90070	0.3
413.08945	0.9
419.11902	0.5
425.08823	2.5
426.09302	0.6
431.10443	0.3
455.09937	84.1
456.10275	9.2
473.10703	0.3
473.36087	0.3
485.11017	0.6
485.78070	0.3
545.13123	2.1
546.13257	0.3
575.14191	100.0
576.14526	13.3
576.21881	0.2
579.17096	0.3
593.15198	6.8
594.15796	0.9
619.04504	0.3
625.17749	3.0
626.18823	0.4
637.19153	0.3
665.37134	0.4
667.18866	1.4
725.40454	0.4
769.19794	4.3
770.19916	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	765.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.5
59.58202	0.2
60.99191	16.9
61.98710	0.4
62.82754	0.2
67.85113	0.2
70.75111	0.5
71.01263	0.3
78.30201	0.2
84.86845	0.2
87.00770	2.5
88.00288	3.1
88.01126	0.4
88.98697	100.0
89.02332	11.3
89.99046	0.6
101.02348	0.4
121.29236	0.2
277.21814	0.6
397.13531	1.5
398.13571	0.2
409.13110	0.2
415.14624	0.3
567.44733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.9
60.99192	16.8
61.98722	0.4
70.07645	0.4
70.08056	0.4
71.01260	0.5
73.02840	0.2
81.85808	0.2
87.00774	3.9
88.00304	4.0
88.01108	0.4
88.98700	100.0
89.02334	26.5
89.99030	1.0
90.02675	0.4
93.08507	0.2
101.02344	0.4
119.03403	0.2
125.02384	0.3
161.00331	0.2
161.04453	0.2
180.91345	0.2
232.39034	0.1
251.27527	0.2
254.33763	0.2
277.21844	1.3
397.13635	1.9
398.14099	0.2
415.14627	0.6
675.35736	0.2
747.22382	0.2
765.26257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.3
59.01264	9.7
60.01582	0.7
61.98716	8.0
64.42964	0.6
71.01269	6.9
73.02821	1.3
75.00757	1.2
83.01249	1.9
83.04918	0.8
87.00751	1.8
88.98682	1.0
89.02332	2.4
90.76138	0.6
93.03355	1.1
95.01298	1.0
96.95898	3.9
97.02858	0.9
99.00793	1.5
101.02336	3.9
106.11353	0.6
107.01274	0.9
108.02036	1.8
109.02844	2.5
111.04394	0.9
113.02361	3.2
115.00275	0.9
116.92798	1.0
119.03503	0.7
119.04939	3.0
121.02847	2.5
123.00826	0.8
123.04405	1.0
125.02383	3.4
131.05003	0.7
132.02103	3.4
133.02852	3.0
134.03683	4.5
135.04446	4.8
136.01587	1.0
137.02388	4.0
137.05917	0.9
143.03300	0.8
145.01532	0.7
147.04416	2.2
148.01556	1.7
149.02315	1.3
149.05998	1.9
151.00299	2.3
151.03929	1.2
152.01065	2.0
160.01610	13.8
161.02359	4.4
161.04489	1.9
161.05946	0.6
163.03938	1.7
164.04630	0.8
165.05522	1.4
175.03961	17.8
176.04311	0.9
177.01871	1.8
179.03429	2.0
181.05106	0.9
190.02609	1.2
191.03453	1.3
193.05067	3.4
195.06400	0.9
205.04984	1.0
209.11797	1.2
217.05173	0.7
217.08682	4.2
223.05942	0.8
235.09769	7.0
239.06926	0.7
253.05084	3.0
254.05472	2.0
268.07767	0.7
269.04544	1.0
271.06125	0.7
281.04669	1.4
282.05249	1.0
283.06110	3.4
289.18106	1.9
293.04538	0.7
295.06152	8.2
296.06897	1.4
297.04327	0.9
297.07684	2.2
299.05966	0.9
307.06073	0.9
307.19183	0.7
309.04141	2.1
309.07608	1.6
310.04846	1.1
311.05624	2.5
312.06378	4.4
313.07230	9.2
323.05579	2.2
324.06406	1.9
325.07245	6.4
326.07974	3.3
327.08725	4.3
337.06848	5.2
339.08627	1.1
340.05829	2.5
341.06723	9.0
342.07367	5.9
343.08163	0.7
353.06683	1.4
355.08313	19.7
356.09055	5.7
357.09851	4.5
365.10324	1.8
379.12274	0.9
383.11395	3.8
393.10068	1.3
394.10654	1.6
397.13043	2.0
407.11252	1.1
408.12119	1.2
409.13123	1.4
411.10950	9.4
412.11389	2.0
415.14636	1.0
425.12488	2.7
426.13187	2.3
427.13864	1.9
677.74408	0.7
695.19574	0.8
721.42432	0.7
747.22705	1.1
765.24115	100.0
766.24384	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
59.01268	4.0
61.07397	0.4
61.30400	0.4
61.98713	1.6
63.65753	0.5
63.94149	0.4
66.75266	0.4
68.01665	0.4
68.99715	0.6
69.03352	2.2
69.23425	0.4
70.92042	1.4
71.01275	5.1
73.02805	0.9
75.00742	0.7
81.03358	1.0
83.01292	1.1
85.02837	4.3
87.00764	1.2
89.02352	2.0
93.03340	0.6
95.01282	2.9
96.95893	2.2
97.02855	1.1
99.00773	0.9
101.02351	2.1
105.70508	0.4
107.01282	0.7
107.86269	0.4
108.02075	36.1
109.02872	32.3
110.03192	1.1
113.02358	2.0
115.00237	0.5
119.03375	0.8
119.04910	0.7
121.02879	1.3
123.00795	2.1
123.04441	1.0
125.02367	3.1
133.02870	0.6
135.00786	0.7
135.04431	1.4
136.01637	0.5
137.02376	1.1
145.02811	0.5
146.03683	0.9
149.02310	1.2
150.03183	1.8
151.00317	1.2
151.03935	1.6
152.01094	32.6
153.01878	100.0
154.02232	3.5
161.02333	0.6
161.04469	0.5
162.03119	0.7
163.03966	1.3
164.04723	0.8
165.01892	1.9
165.05521	1.9
166.02695	0.6
167.03384	0.9
175.02522	0.5
175.03952	0.6
177.01903	0.9
179.03471	0.9
179.07079	0.8
181.05026	0.8
195.02945	0.6
195.06601	1.7
209.08226	0.6
225.07709	0.9
246.84235	0.4
315.07288	61.1
316.07507	3.9
378.82724	0.4
463.09399	0.4
540.22363	1.0
541.23029	54.7
542.23407	7.5
576.38147	0.4
703.28308	9.9
704.28021	0.9
763.27820	0.9
764.23169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82815	0.2
58.29175	0.2
59.01268	1.0
61.98721	1.6
65.00196	0.3
69.20994	1.7
69.21410	0.5
71.01269	2.1
72.99195	0.5
73.02853	0.5
75.00784	0.4
76.56001	0.2
77.83938	0.2
81.89054	0.2
83.01270	0.4
85.02827	1.0
87.00795	0.5
88.98685	0.5
89.02356	0.4
91.01795	0.2
91.05442	0.2
93.03382	0.7
95.04907	0.3
96.95933	0.5
97.02879	0.2
97.57135	0.2
99.00807	0.6
101.02359	0.8
102.15489	0.2
107.04943	0.7
108.02075	0.4
109.02854	1.2
113.02382	0.8
119.01311	0.9
119.04942	0.3
121.02874	1.6
123.04449	0.4
125.02376	0.4
133.02893	0.7
133.06496	0.2
134.03697	0.4
135.04466	2.0
139.03870	0.3
143.03416	0.3
145.02979	0.4
147.00842	0.6
147.04480	0.7
148.01576	0.4
149.02382	4.0
150.03117	0.2
155.08643	0.3
161.02316	0.3
161.04482	0.3
163.03954	0.4
164.04738	3.2
165.01834	0.4
165.05536	0.2
171.08046	0.2
175.00331	5.5
175.03967	0.5
175.07635	0.3
176.00919	0.5
177.01845	0.7
179.07100	0.8
183.08168	0.3
185.05943	0.3
187.07558	0.4
189.01921	0.4
190.02686	15.0
191.03168	1.0
199.07605	0.4
201.01881	0.3
203.03490	0.6
205.05049	17.4
206.05389	1.0
208.03775	0.6
211.07712	0.2
213.05573	0.4
215.03447	0.7
215.07024	0.3
217.08609	0.6
219.10249	0.3
223.06114	4.0
223.08113	0.3
224.06459	0.2
225.05577	0.2
227.03436	0.4
227.07103	0.4
228.07915	0.3
231.03117	0.3
238.06204	0.4
239.07141	1.2
241.05057	1.2
243.06557	0.5
245.08031	0.3
253.05074	0.3
255.06671	1.5
256.07425	2.3
257.08038	0.4
267.06577	1.0
268.07385	0.8
269.08224	0.7
285.07797	0.3
285.11160	0.3
286.08554	0.3
287.09381	0.3
291.10107	0.5
293.04672	0.2
293.11731	0.2
304.06900	0.2
305.08151	0.4
305.11682	0.3
306.09109	0.2
309.11292	0.4
317.08133	0.2
319.09735	0.5
321.07828	0.4
321.11334	0.8
322.08444	0.2
331.09769	0.6
334.08545	0.3
335.05710	0.5
335.09512	0.3
336.05865	0.2
337.10800	1.3
339.12082	0.3
341.14053	2.4
342.14438	0.7
343.15118	0.3
347.09277	0.8
349.07108	0.5
349.10843	1.8
350.07895	1.1
351.12601	0.3
352.08279	0.4
359.09244	0.7
363.08752	0.4
364.09564	0.6
365.10413	2.7
366.11081	0.2
367.10394	42.1
368.10773	3.4
375.08746	0.3
376.09470	0.8
377.10397	5.2
378.10596	0.7
393.09842	0.5
394.10751	1.1
395.11423	100.0
396.11771	10.9
509.64328	0.2
557.16370	1.3
763.22461	10.8
763.43744	0.9
764.22955	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	761.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71928	1.1
55.01760	2.5
57.03321	4.8
59.01265	76.6
61.98712	11.2
66.53167	1.3
67.01752	1.8
68.99689	1.6
69.03333	2.4
71.01270	31.3
71.25653	3.0
72.99194	5.2
73.02839	11.7
75.00751	2.8
75.08184	1.3
79.05433	1.2
81.03346	2.6
83.01299	6.2
83.04910	4.1
85.02846	15.2
87.00771	17.7
88.70372	1.3
88.98704	4.2
89.02343	10.2
93.03349	4.5
95.01309	6.7
95.04900	3.2
96.95927	12.6
97.02844	4.4
97.06469	3.9
99.00800	5.0
99.04418	3.9
101.02352	26.7
107.01276	1.5
107.04949	4.0
108.02076	10.1
109.02879	7.8
109.06468	4.8
111.00799	3.4
111.04430	16.9
111.08115	1.3
113.02352	12.8
116.92752	4.7
119.03401	2.1
119.04927	5.3
121.02866	4.2
123.00821	10.1
123.04445	5.3
124.01575	6.8
125.02387	10.2
125.05988	6.9
127.03954	2.1
127.07668	1.3
133.02869	1.5
134.03694	2.2
135.04440	10.4
136.05199	1.4
137.02380	20.6
137.05995	12.5
138.03156	2.5
139.03946	4.8
143.03383	1.4
145.02882	1.6
149.02367	2.9
150.03128	2.9
151.00311	3.2
151.03935	7.8
151.07590	2.1
152.01091	15.1
153.01808	1.4
153.05536	15.7
161.04517	4.2
161.05962	2.8
162.36134	1.3
163.03897	2.2
163.07603	3.1
164.04735	3.1
165.05511	9.9
167.03381	1.7
175.03876	2.0
177.01895	1.7
177.05453	1.7
178.06262	1.8
179.03511	1.7
179.05646	2.2
179.07082	13.1
181.04985	1.7
193.08698	3.4
197.08168	4.5
211.09712	3.6
223.05965	1.8
269.04703	1.8
271.06177	4.3
287.22189	5.6
297.07980	1.4
307.06174	4.1
325.07339	1.8
331.24692	3.5
336.09857	2.2
337.07169	1.5
342.47525	1.4
363.08383	1.8
365.10211	2.7
366.11078	3.6
367.11893	1.7
377.10272	2.0
391.27216	2.0
401.14722	1.7
403.14584	1.5
404.08508	1.4
405.09595	3.1
419.11499	3.9
420.12061	1.4
437.15643	1.6
437.29288	3.0
463.14264	2.8
477.32242	2.1
484.22992	3.0
484.73224	4.8
485.23721	2.0
533.70435	1.4
545.24817	1.5
595.34955	5.1
599.34082	1.7
613.36096	23.9
614.36530	4.2
631.37042	7.2
639.37445	3.4
641.22589	11.3
655.37170	18.9
656.37335	2.4
657.38672	8.7
671.23889	10.5
673.38184	84.8
674.38629	13.4
681.38318	5.9
699.39362	6.6
701.25153	2.3
717.40875	100.0
717.82391	2.3
718.41376	17.4
743.25415	1.8
761.25720	34.3
761.37500	7.3
762.26550	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	761.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.9
58.00462	0.3
59.01265	7.3
61.98708	2.4
66.05168	0.3
69.03344	0.3
70.38567	0.7
70.38982	0.9
71.01266	5.9
72.99189	0.7
73.02820	1.4
73.91844	0.3
75.00760	0.5
79.11056	0.3
80.14067	0.3
83.01275	1.2
85.02843	2.0
87.00775	1.0
87.04427	0.4
88.98686	0.8
89.02354	2.9
89.50317	0.3
93.03349	1.1
95.01277	0.9
95.17004	0.3
96.95900	1.4
97.02849	0.6
98.19836	0.3
99.00781	0.9
101.02341	3.3
108.02042	0.6
109.02826	0.9
109.06475	0.3
113.02338	2.8
116.92754	1.0
117.03380	0.3
119.03404	1.3
119.04931	1.8
121.02869	4.0
122.03645	0.7
123.00754	0.6
123.04404	0.6
125.02358	1.8
125.05891	0.4
130.09506	0.3
134.03580	0.4
135.04443	1.0
136.01622	0.4
136.05206	1.0
137.02376	1.7
137.05995	0.6
138.03059	0.4
139.00279	0.7
139.03949	0.5
141.01773	0.3
143.03381	0.4
145.01884	0.4
145.02832	1.9
146.03639	1.3
147.04417	1.2
149.02391	0.9
149.04547	0.3
149.05943	0.4
150.03140	0.7
151.00282	0.9
151.03896	1.1
151.07573	0.5
152.01112	0.7
152.04733	0.5
153.01883	0.8
153.05489	0.5
154.02576	0.4
159.04373	0.6
160.04012	0.6
160.05260	0.4
161.02359	1.0
161.04457	1.0
161.05951	0.7
163.03957	4.4
164.04715	1.7
165.01845	2.0
165.05495	1.2
166.02588	0.8
167.03397	1.3
173.02383	0.4
173.05963	0.5
174.01805	0.4
174.03188	1.8
175.02544	0.5
175.03949	12.1
176.04622	2.4
177.01912	3.5
177.05534	2.2
178.02580	0.8
179.03407	1.5
179.05644	0.7
179.07089	3.0
180.04239	13.1
181.04787	1.2
188.04750	2.6
189.05559	7.3
190.06313	19.0
191.03522	0.5
191.07095	14.0
192.04169	0.6
192.07399	0.8
193.05029	11.4
194.05823	8.4
195.06364	1.1
203.07063	2.5
205.08685	20.0
206.09015	1.0
207.06602	7.5
208.07404	11.9
209.04474	0.4
209.07938	1.5
211.06079	0.5
222.08966	0.9
223.06091	1.0
223.09695	2.3
271.06174	0.6
279.59329	0.4
311.09924	0.4
313.07239	0.5
329.10211	0.4
335.05899	0.6
343.11914	1.1
344.12650	4.9
345.13309	2.1
357.09552	0.4
357.13614	0.6
358.14001	0.8
359.15060	100.0
360.15396	11.5
365.06924	0.4
369.13354	0.7
370.14133	0.5
371.14606	0.5
373.16119	3.1
375.14444	0.8
387.20319	0.5
389.16107	13.1
390.16458	2.0
455.19229	1.4
545.13129	0.7
599.25116	48.4
600.25537	9.1
673.37671	0.6
694.04315	0.3
696.25537	0.4
717.39929	0.9
761.27209	1.3
762.27246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	2.6
65.64397	2.5
71.00483	2.6
71.00819	3.9
71.01282	4.2
73.62297	2.2
75.27586	2.2
78.79895	2.2
87.70747	2.0
95.42485	2.1
104.93158	2.3
209.11812	69.0
210.11998	2.5
227.12871	16.5
235.08240	7.6
253.09329	7.7
269.99579	2.7
277.21768	100.0
278.22098	6.9
513.30756	4.7
759.41089	30.8
760.41919	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	759.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	3.9
60.30363	2.9
61.98718	7.3
62.65266	3.0
70.60880	6.2
70.61272	7.0
78.95808	7.9
83.04947	2.9
93.69763	2.9
101.81179	2.8
106.16501	2.7
121.14468	3.1
131.29602	3.5
152.99597	6.9
181.63374	2.9
209.11821	100.0
210.12132	6.6
227.12944	20.1
239.20163	2.9
253.09393	8.3
277.21793	55.2
445.20938	8.3
759.41534	27.8
760.41382	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	759.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.3
59.01263	3.0
60.79094	0.3
61.98723	1.2
65.23306	0.3
67.01754	0.4
69.03336	0.4
70.62553	0.8
71.01260	2.6
73.02840	0.8
81.03357	0.2
83.01273	0.6
84.02067	0.6
85.02846	1.9
87.00787	0.4
89.02344	0.8
92.56651	0.2
93.03362	0.9
95.01284	0.6
96.95924	1.0
99.00773	0.3
101.02325	1.3
102.93086	0.2
107.04944	0.4
108.02087	1.6
109.02870	2.5
111.00838	0.3
113.02366	1.1
116.92785	0.4
117.03416	0.3
117.43443	0.2
119.04923	0.4
121.02872	2.2
122.03651	0.9
122.10632	0.2
123.00813	1.7
123.04424	1.0
124.01582	0.9
125.02366	1.6
131.03395	0.3
133.02808	0.4
134.03668	0.8
135.04453	1.0
136.01588	51.2
137.02415	7.4
138.03134	0.3
139.00301	0.6
139.03961	1.3
143.04886	0.3
145.02853	0.3
145.06525	0.3
146.03700	0.6
147.04416	0.5
149.02374	1.0
149.05968	0.5
150.03145	0.6
151.00336	9.4
151.03944	68.4
152.01102	1.3
152.04315	3.0
153.01851	0.4
154.02684	0.3
159.03098	0.3
159.04482	1.0
160.05214	1.7
161.02348	0.9
161.04488	0.8
161.06010	0.9
162.03177	0.9
163.03949	1.4
164.04721	0.9
165.01855	0.8
165.05515	0.7
166.02666	36.3
167.03377	3.7
172.05269	0.7
173.02367	0.9
173.05954	0.3
174.03197	0.3
175.03940	2.8
175.07495	1.4
176.04753	1.0
177.01878	1.8
177.05582	1.1
178.02663	0.5
179.03453	1.0
179.05594	0.3
179.07072	0.6
179.10675	0.3
180.04184	0.2
181.05026	50.6
182.05391	2.7
184.03731	0.3
187.03989	0.7
187.07712	0.3
188.04710	0.6
189.05551	2.7
190.02670	0.6
190.06323	2.4
191.03494	2.5
191.07066	0.9
192.04170	0.7
193.05048	1.4
195.02992	0.6
195.06564	0.5
203.03398	0.5
203.07126	0.5
204.04456	0.3
205.05063	2.9
205.08704	1.9
206.05833	2.6
207.06522	0.7
209.04614	0.3
209.08191	0.3
218.05676	0.3
219.06580	0.8
220.07410	1.4
221.08186	7.2
222.08488	0.3
223.06216	0.3
233.08141	0.6
256.55817	0.3
265.14368	0.4
266.05762	0.3
269.04648	0.3
271.06253	0.3
271.15686	0.2
277.05038	0.3
278.05789	0.2
279.06784	0.6
281.04437	0.3
281.08124	0.4
282.05383	0.5
283.06152	0.3
284.06760	0.3
286.08658	0.5
294.05460	0.9
296.06982	0.4
297.07678	1.6
299.09311	0.6
309.07761	2.1
310.08270	0.3
311.09354	0.4
312.06522	0.6
313.10703	0.3
323.09183	0.3
324.10007	1.4
325.10657	0.4
326.11584	0.5
327.08774	1.5
327.12402	0.5
329.10406	2.8
330.10712	0.5
339.12418	0.8
341.10281	0.5
341.14041	0.5
342.07614	0.3
342.11136	5.9
343.11743	0.9
354.11246	0.3
357.09741	13.6
357.13547	29.2
358.10092	1.5
358.13892	3.4
369.13611	2.1
371.11404	0.4
371.15112	1.7
372.12155	13.9
373.12674	2.1
386.13876	0.3
387.14566	100.0
388.14917	11.4
401.16046	1.5
429.15509	0.5
484.15094	0.3
511.32739	0.3
525.91022	0.3
567.22491	10.5
568.22589	2.2
579.22522	1.5
593.36432	0.3
597.23529	55.0
598.23895	10.7
598.33643	0.5
671.38245	0.3
715.39191	0.7
759.28912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
55.41674	0.4
57.03323	1.2
59.01264	14.1
61.98724	3.1
63.53235	0.4
65.03863	0.5
71.01271	6.3
71.04916	0.5
71.52038	0.6
72.99210	0.7
73.02829	2.2
75.00769	0.8
79.37727	0.4
83.01270	1.7
85.02853	2.2
87.00783	0.8
88.03954	0.5
89.02334	1.7
89.92107	0.4
93.03358	18.5
95.01244	0.7
96.95911	1.8
97.02852	0.6
97.06483	0.6
99.00798	1.0
99.04405	1.1
101.02336	3.6
107.01290	0.7
107.04903	0.8
108.02077	0.9
109.02834	0.9
109.06503	3.4
111.00761	0.5
113.02377	2.6
116.92784	0.8
117.03378	17.8
118.03708	0.7
119.03387	0.5
119.04927	1.1
121.02863	1.1
123.04475	0.8
125.02372	6.9
132.06596	1.1
133.02924	0.6
135.04425	1.9
137.02423	1.1
137.06033	0.6
143.03406	0.6
145.02846	0.8
149.02403	0.8
149.06059	0.6
151.00288	1.3
151.03938	0.6
152.01076	0.7
153.01810	0.5
153.05481	0.9
159.04471	1.0
161.02388	2.6
161.04460	0.8
163.03940	1.8
167.03523	0.4
167.04915	0.4
169.06543	0.9
173.01123	0.7
173.02396	6.7
174.02888	0.7
175.03931	0.8
177.05513	0.7
177.35112	0.4
181.05057	0.6
185.02344	2.9
185.05989	0.5
187.02422	2.3
187.03987	2.8
188.01183	0.6
189.01913	3.9
190.02431	0.4
190.19569	0.5
197.02379	1.6
197.04210	0.4
203.03462	1.4
205.05009	0.5
213.05638	2.4
215.03531	4.0
217.01401	3.8
227.03415	0.8
229.05040	0.5
237.05580	0.6
241.01393	1.4
249.05414	0.7
261.05487	0.9
263.07135	0.8
269.04605	0.6
271.02637	1.3
271.06134	0.6
277.05212	0.6
279.06723	0.7
283.06110	0.8
285.04034	0.7
287.05618	0.9
293.04688	1.3
305.01434	0.6
305.04651	7.4
306.05298	5.5
307.06189	9.1
308.06488	1.0
311.05615	0.8
315.07330	0.7
317.04327	0.8
323.05823	0.7
327.08621	0.6
335.05688	43.7
336.06100	4.3
337.07297	0.6
338.04346	1.0
364.09601	0.7
365.02454	0.6
365.06686	9.2
365.10666	1.1
366.06985	1.4
377.44138	0.5
391.82971	0.5
425.08871	90.8
426.09277	10.4
435.14569	12.4
436.15048	1.1
453.15872	1.4
455.09946	0.6
511.32645	1.2
545.13135	100.0
546.13507	14.4
586.86609	0.5
597.20050	3.0
611.37915	1.2
629.39288	0.5
671.40094	5.3
714.38458	2.1
715.26172	1.5
715.38843	11.3
723.61670	0.6
759.28577	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	759.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03337	7.8
59.01265	15.3
61.98715	4.2
67.01717	0.4
69.03344	0.5
69.28131	3.5
71.01275	7.2
72.99184	1.2
73.02845	3.3
75.00719	0.5
81.03364	0.7
83.01271	1.9
85.02845	2.4
87.00782	1.2
88.98679	0.6
89.02338	1.2
93.03358	55.2
93.71297	0.3
94.03690	1.6
95.01276	0.6
96.95908	1.6
97.02872	0.4
97.06490	0.5
99.00803	1.0
99.04426	2.5
101.02348	6.5
107.04939	1.0
108.02080	0.7
109.02851	0.9
109.05801	0.5
109.06505	4.6
113.02380	2.1
115.03914	0.6
115.82133	0.4
116.92779	1.0
117.03373	19.6
118.03700	0.6
119.04947	1.5
121.02861	0.8
123.04377	0.6
125.02369	11.5
134.03754	0.4
135.04402	1.1
137.02361	0.8
137.06017	0.9
143.03439	1.3
145.01355	1.0
145.02881	0.9
147.04472	0.3
149.02354	0.6
150.03186	0.9
151.00328	0.8
152.01071	0.5
153.05479	1.4
158.07516	0.4
161.02336	2.2
161.04475	0.8
163.03987	0.9
164.04671	0.8
165.05466	0.9
165.12714	0.4
167.03369	0.4
169.06523	7.6
173.02400	7.1
175.00385	0.7
175.03972	0.7
177.05452	1.1
185.02425	2.7
187.02425	5.3
187.03995	3.7
189.01935	3.7
197.02451	2.5
201.01878	0.8
203.03549	0.8
209.11789	1.2
213.05553	49.6
214.05904	3.4
215.03516	3.9
217.01396	4.5
225.59067	0.5
227.03403	0.6
235.07530	0.5
241.01460	2.7
243.02968	0.5
251.07162	0.6
253.05148	0.6
255.06645	1.4
261.05640	0.5
263.07190	0.7
271.02582	0.7
271.06229	0.5
279.06717	0.6
283.06073	0.4
293.04550	1.8
305.04596	6.5
306.05292	4.7
307.06161	10.1
308.06595	0.9
310.04871	0.6
312.06491	0.9
317.04703	0.6
323.05746	1.0
327.09091	0.4
335.05676	29.6
336.06091	2.4
337.07248	0.7
338.04004	1.0
347.05621	0.9
363.08624	0.4
364.09698	0.7
365.06659	6.8
365.10660	0.9
366.07159	0.7
396.12219	0.5
401.10614	0.6
425.08850	99.3
426.09232	9.5
435.14551	9.3
436.14832	1.3
455.09613	0.9
467.33548	0.7
493.31824	0.5
510.31610	0.6
511.32751	3.4
545.13123	100.0
546.13501	12.7
597.20074	2.8
611.37988	1.1
615.17767	0.5
629.38721	0.8
671.40289	6.6
714.37921	1.0
715.26282	3.9
715.39227	14.8
716.26965	0.6
716.39600	1.3
759.23749	1.8
759.43060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.0
57.03332	1.5
57.09778	0.5
59.01259	11.8
61.98719	4.5
65.71340	0.5
65.75378	0.5
66.56096	0.5
69.03338	1.5
69.30943	1.2
69.31345	3.8
71.01275	8.8
72.99194	1.9
73.02829	4.5
75.00762	1.2
81.03368	0.9
83.01283	1.8
83.04921	0.9
85.02835	6.0
87.00774	1.9
88.98689	1.3
89.02330	2.4
93.03387	1.3
95.01287	1.9
96.95920	6.0
97.02853	1.3
97.06502	1.6
99.00796	1.7
101.02343	6.2
108.02076	56.8
109.02917	9.8
113.02370	4.3
116.32214	0.5
116.92725	0.6
117.03325	0.7
119.03407	1.2
119.04939	2.2
121.02876	2.7
123.00797	0.6
123.04411	1.7
125.02350	2.8
133.02869	0.9
134.03665	2.3
135.04465	2.8
136.01610	0.6
136.05289	0.7
137.02403	1.5
137.06007	0.9
143.03427	0.7
145.02919	1.2
149.02382	3.9
149.06049	1.2
150.03102	0.9
150.06822	1.5
151.00340	1.1
151.03935	2.5
152.01091	100.0
153.01848	6.5
160.01636	1.3
161.02437	0.6
161.04475	2.5
163.03970	4.6
164.04727	2.0
164.08235	0.6
165.01959	0.8
165.05499	2.1
166.02637	0.7
166.05049	1.1
167.03441	1.1
171.10249	1.9
175.00244	0.5
175.02432	1.4
175.03986	2.8
177.01875	1.8
179.03499	2.4
179.05563	1.0
179.07051	1.3
179.10721	0.8
181.04961	1.3
183.13896	1.0
190.02672	3.1
191.03230	0.6
193.04961	1.2
194.05779	0.9
195.06572	1.1
205.05026	2.9
209.08191	1.4
209.11713	0.6
211.13354	5.1
212.13747	0.8
215.67758	0.5
221.11806	0.8
223.06111	2.9
229.14433	3.7
251.45078	0.5
271.05960	0.6
283.06262	0.7
287.22458	1.0
288.22760	0.9
295.06293	0.6
311.05698	0.6
315.07349	1.7
327.21844	4.2
337.09396	1.7
351.08820	0.7
355.08118	0.6
367.10593	2.5
368.10910	0.7
417.15921	0.9
425.08466	0.8
427.09329	0.8
429.10434	8.4
429.95288	0.8
430.10971	1.1
431.09592	0.6
443.10080	0.7
447.11581	2.0
509.30975	0.7
531.31189	0.6
545.13214	1.5
547.13666	0.6
568.59009	0.6
667.29163	0.6
676.32593	0.7
687.91260	0.6
713.40900	4.3
757.33075	96.3
758.33533	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	757.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	52.6
59.01266	8.1
61.09695	0.9
61.98709	4.5
67.08926	0.8
69.79018	0.7
70.68098	2.4
71.01255	1.9
72.99172	1.0
73.02801	0.9
83.01255	1.5
83.04932	1.8
87.62479	0.9
89.02293	0.8
94.92395	1.9
94.97965	1.1
96.95894	0.9
99.04417	8.1
101.02336	8.2
113.02328	1.8
113.08586	0.8
123.09189	1.0
125.02381	5.5
133.02890	1.1
135.04402	0.8
145.02879	1.1
148.01585	5.6
148.19580	0.8
149.02390	0.9
159.04439	0.8
171.10222	1.9
189.01942	0.9
197.11827	2.8
201.01924	1.4
201.11253	6.4
209.11806	22.6
210.12172	5.5
213.01926	3.3
215.03441	1.3
227.12849	3.5
228.13229	0.8
231.06624	1.8
235.08090	1.2
239.07265	0.8
245.05405	0.8
245.08064	1.4
253.05029	1.4
253.09401	5.3
256.07407	1.9
257.08197	1.0
265.05075	1.9
268.03723	1.0
275.20050	0.9
279.06613	1.1
281.04675	1.4
282.05420	2.0
283.06052	1.1
291.19635	1.1
293.04605	1.8
293.07843	1.1
293.21356	9.0
295.06232	2.0
297.04132	1.1
305.08041	1.4
307.06155	1.7
309.04117	1.8
309.11258	1.4
309.20749	3.3
310.04956	1.2
310.21088	2.6
311.05673	1.8
311.22131	2.4
313.21811	0.9
321.04175	1.3
321.11447	4.3
322.04834	3.1
322.08658	1.0
323.05597	5.9
323.09396	3.6
324.06018	1.5
325.07452	1.3
331.09390	0.9
335.05740	1.9
336.06314	0.9
336.09851	1.3
337.07144	6.7
337.10904	19.8
338.11435	2.0
350.11444	1.4
351.08652	1.9
351.12347	2.8
363.08774	0.9
364.09604	2.0
365.10266	14.7
366.11072	5.1
379.11966	12.6
380.08456	1.6
380.12698	8.3
381.13327	2.7
393.09714	1.3
407.15033	2.3
418.14389	1.9
421.16937	1.9
433.16388	1.3
435.14597	10.5
436.15332	70.5
437.15674	8.4
449.16006	2.5
450.16818	6.4
451.17700	100.0
452.18036	11.9
457.45514	0.8
585.20068	2.4
595.22113	1.5
613.22974	55.5
614.23334	6.4
655.24078	71.3
656.24524	14.7
695.27338	2.8
757.27228	42.7
758.27460	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	755.424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	8.0
58.00470	0.6
59.01266	10.4
61.98716	1.8
65.98295	0.4
67.01804	0.4
69.03362	0.9
69.63411	3.0
71.01271	6.1
71.04904	1.4
72.99203	0.6
73.02826	1.6
78.95797	0.9
81.03359	0.6
83.01257	0.9
83.04917	1.4
85.02850	1.9
85.06487	1.5
87.00782	1.3
87.04443	0.6
89.02341	3.8
95.01271	0.7
95.04905	0.8
96.95910	0.6
97.02826	0.9
97.06509	1.5
99.00811	0.7
99.04428	3.2
101.02344	6.5
109.06512	2.1
111.04451	1.2
111.08057	2.3
113.02356	2.6
115.31821	0.4
119.03429	1.0
125.02364	2.0
125.09570	0.5
145.05009	0.8
148.01587	0.6
161.04500	2.1
163.11288	1.0
165.12802	12.2
166.13206	0.5
167.10716	0.8
171.10287	0.7
177.12738	0.4
179.05653	0.5
179.14389	1.6
183.13870	85.1
184.14203	4.7
185.05913	0.5
195.13869	10.3
197.11906	0.6
199.13339	0.6
203.14597	0.6
205.12267	0.7
207.10258	0.5
209.11845	2.8
211.13293	0.7
221.15477	5.2
223.13419	3.6
227.12868	5.3
229.14253	0.5
235.08224	2.4
236.81709	0.4
239.16565	2.0
247.20619	1.0
253.09328	7.8
273.18607	0.9
291.19736	16.9
291.23016	0.9
292.19812	0.9
293.21466	0.6
309.20758	19.7
310.21182	2.1
327.21844	2.3
434.13806	4.8
435.13995	0.7
445.20935	4.3
446.21234	0.6
449.16150	11.5
450.16415	1.8
463.21774	2.5
471.34827	1.0
545.29767	0.9
755.42419	100.0
756.42737	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	755.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.7
59.01261	5.4
61.98714	9.2
65.00204	0.5
68.99728	0.5
69.03354	1.2
71.01270	7.2
72.99207	0.9
73.02848	2.0
75.00771	0.8
78.95793	0.5
81.03347	0.9
83.01267	2.1
85.02840	5.3
86.03143	0.3
87.00768	1.3
88.98697	2.3
89.02338	1.5
93.03366	4.2
94.90574	0.4
95.01291	2.8
96.95925	2.0
97.02856	0.8
99.00786	1.5
101.02334	4.0
107.01273	0.7
107.04961	0.5
108.02077	59.2
109.02874	28.1
110.03185	0.6
111.00774	0.4
113.02346	2.5
115.00249	0.4
117.03343	0.9
119.03384	0.4
119.04932	1.4
121.02868	2.9
123.00797	2.1
123.04420	2.3
124.47530	0.3
125.02367	3.2
130.60608	0.4
132.02078	0.7
133.02917	2.7
134.03641	0.8
135.00800	4.9
135.04424	2.4
137.02379	8.7
138.02780	0.4
145.02881	1.2
149.02393	3.5
149.05998	0.6
150.03198	0.5
151.00299	1.8
151.03925	2.9
152.01089	69.6
153.01880	34.1
153.03694	0.5
154.02206	1.2
154.19121	0.4
159.02907	0.4
161.02365	1.1
161.04482	1.0
163.03952	2.5
164.04759	2.3
165.01891	2.7
165.05452	0.5
167.03432	0.8
172.06100	0.3
175.00340	2.1
175.03938	0.5
176.01089	1.3
177.01888	27.7
178.02235	1.6
179.03438	0.8
179.07053	0.5
181.05090	1.0
187.03903	0.4
189.05478	0.4
190.02641	3.8
191.03323	1.5
193.05052	0.9
195.02969	0.7
205.05043	5.7
223.06116	3.0
225.04015	0.7
231.02933	0.7
248.24144	0.4
253.05171	0.5
265.01465	0.5
265.07202	0.7
267.13324	0.4
269.04575	0.6
271.06039	0.4
287.05490	0.4
299.07889	0.5
309.00327	1.4
315.07281	100.0
316.07565	8.1
339.07257	44.9
340.07675	4.0
351.05331	0.4
357.08331	1.2
367.10477	0.6
383.06274	50.4
384.06586	4.7
401.07315	26.8
401.11667	0.3
402.07574	2.5
425.08914	1.0
429.06232	2.9
430.06326	0.5
441.08081	0.6
442.51520	0.4
449.11005	0.7
455.19156	0.4
533.23962	0.8
545.12860	1.0
561.12231	0.6
563.14319	0.6
593.25940	2.2
594.26636	0.6
624.30627	1.4
624.80603	0.9
644.48419	0.4
692.22546	0.4
755.28125	16.9
756.28430	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	755.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	45.3
58.03671	0.9
59.01265	5.0
61.98715	2.5
67.01443	0.3
71.01277	1.3
71.39214	0.4
71.39552	0.5
73.02842	0.5
81.03340	1.8
83.01284	0.9
83.44007	0.3
84.45210	0.3
85.02833	0.5
93.03365	0.3
96.95910	0.8
99.00846	0.5
99.04417	30.3
100.04775	0.5
101.02343	11.1
104.35552	0.4
109.02842	0.7
113.02360	0.6
116.92755	0.6
123.04438	0.3
125.02364	21.8
126.02706	0.6
133.02875	0.6
135.04466	1.1
143.03464	0.7
148.01613	0.9
149.02380	0.5
161.02357	0.6
161.04517	0.4
165.05453	0.4
196.66629	0.3
197.11903	0.4
201.05408	0.3
209.11783	2.2
213.05545	0.4
227.12959	0.9
236.70631	0.3
239.03555	0.4
243.06602	0.6
251.03723	0.4
253.05043	0.4
253.09166	0.6
254.05782	0.3
267.03156	0.4
269.08307	0.6
291.19699	0.6
293.04660	0.4
293.45560	0.3
295.02435	0.6
295.72812	0.3
303.10107	0.3
305.08618	0.6
307.09818	0.7
309.11404	0.4
309.20831	1.5
319.06348	0.4
319.09665	0.4
321.04007	0.7
321.07779	0.5
321.11285	0.6
323.05768	0.5
335.09381	0.9
336.10251	0.5
337.07196	0.5
347.09448	1.0
348.09848	0.4
349.07233	0.5
349.10916	2.8
350.11255	0.4
351.08887	0.8
355.15680	0.4
361.11011	1.7
363.08752	2.4
363.12589	0.4
364.09436	1.7
366.11163	0.3
375.08292	0.6
377.10300	7.3
377.14590	0.6
378.10742	1.0
379.08102	0.5
389.14020	2.1
390.14563	1.0
391.08298	1.3
392.12701	0.5
395.11411	0.4
396.08383	0.8
398.10266	0.4
401.13785	0.5
403.12051	0.6
405.13470	0.9
406.14276	2.6
417.13666	2.0
418.14246	6.4
419.15033	2.2
420.15460	0.5
421.16599	0.6
433.12891	0.9
434.13754	15.7
435.14108	2.3
447.14682	0.7
448.15408	0.9
449.16119	100.0
450.16461	13.0
593.20447	1.8
594.20746	0.4
608.18481	0.4
611.21674	2.9
612.21796	0.6
623.21863	0.6
653.22614	2.4
654.23163	0.4
670.76825	0.3
693.25580	0.8
755.25922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94364	0.4
55.60758	0.5
57.03335	1.1
58.81350	0.4
59.01265	4.1
59.45477	0.4
61.98722	5.1
69.47888	3.7
71.01268	4.5
72.99205	0.7
73.02834	1.4
75.00758	0.8
75.71312	0.5
76.73876	0.5
83.01278	1.2
85.02840	1.5
87.00769	0.8
89.02317	1.7
93.03362	5.9
95.01290	0.7
96.95905	4.9
101.02360	2.5
107.04933	0.5
108.02057	3.3
109.02917	2.7
113.02357	1.7
114.01882	0.7
117.03346	0.9
119.01289	1.1
119.04928	1.5
121.02857	2.0
123.04455	0.8
125.02390	4.2
133.02834	0.6
133.06451	0.7
134.03651	0.7
135.04445	2.9
137.02376	11.9
138.02695	0.7
145.02872	0.6
147.00778	1.2
147.04413	1.4
148.01669	0.7
149.02385	3.9
149.06000	0.6
150.03181	1.0
151.00317	1.0
151.03951	1.0
152.01064	3.7
153.01891	2.8
159.04445	0.7
161.02335	1.6
163.03944	2.5
164.04738	2.4
165.01872	0.8
165.04065	0.7
165.05516	1.3
167.03358	0.7
169.01155	0.5
173.02322	0.6
175.00311	6.6
175.03976	1.4
176.00996	1.5
176.04764	0.5
177.01897	4.1
177.05540	3.7
181.05066	0.8
188.07114	0.9
190.02675	13.7
190.08337	0.5
191.03456	3.7
193.04935	0.9
195.06602	5.5
203.03503	0.8
205.05045	12.0
206.05367	0.8
207.03012	0.8
208.03677	0.7
209.04483	0.7
221.04561	0.9
223.06131	2.3
253.05089	0.7
255.06555	0.7
267.06601	1.1
269.04703	1.2
283.06140	2.5
283.09247	0.5
295.06180	4.4
296.06772	0.7
297.03979	0.5
297.07428	1.1
299.05515	0.9
307.06281	3.0
309.07724	2.3
311.05777	1.1
312.06464	1.7
313.07233	4.1
315.07208	3.9
321.07751	1.2
323.05591	1.6
324.06387	1.8
325.03448	0.8
325.07254	11.9
326.07751	1.7
327.05121	1.2
327.08737	1.6
335.05530	0.5
336.06326	0.6
337.07178	4.7
338.07819	1.4
339.08896	3.8
341.06747	2.8
342.07428	1.3
343.08298	19.7
344.08673	1.3
349.07306	3.3
351.08383	0.5
353.06689	2.1
354.07379	3.4
355.08221	6.1
356.08945	2.7
357.09830	4.6
367.07916	6.7
368.08783	2.5
369.09912	2.7
371.07791	22.2
372.08536	11.8
373.09143	2.2
383.06995	1.5
385.09372	18.8
386.10117	8.9
387.10837	6.4
425.09180	0.7
526.83472	0.5
545.12872	1.0
549.16309	0.6
559.14752	0.9
724.85724	0.7
737.21204	1.4
755.22015	100.0
756.22345	19.7
756.36096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.5
59.01262	11.7
61.98716	14.1
63.02280	3.1
65.00211	22.9
70.68706	0.5
71.01263	7.4
71.55981	0.6
71.56438	0.6
72.99202	1.4
73.02835	2.5
75.00770	0.5
78.67618	0.4
79.95585	0.8
81.03341	1.0
83.01279	11.2
83.04893	0.6
85.02845	3.5
87.00784	1.8
88.98654	0.7
89.02316	2.5
91.05405	0.6
93.03349	5.9
95.01263	0.8
96.95910	21.1
97.02843	0.6
97.06557	0.5
99.00773	1.2
99.04441	0.8
101.02341	4.1
107.01293	33.1
108.02126	1.6
109.02866	1.9
110.03310	0.5
113.02351	4.5
115.00299	0.5
117.03374	6.3
118.03728	0.6
119.04942	42.1
120.05243	2.5
121.02870	1.8
123.04467	1.2
125.02361	13.5
132.02107	5.5
132.05687	0.6
133.02904	3.1
133.06575	0.5
134.03661	10.6
135.02974	0.7
135.04428	2.3
136.01665	1.1
137.02350	3.4
139.03926	1.1
143.01860	0.5
143.03517	0.7
143.04880	1.0
145.02890	19.9
146.03233	1.0
147.04463	1.5
148.01718	0.6
148.38431	0.4
149.02423	2.7
149.04482	0.5
149.06038	1.9
149.99515	0.5
151.00307	100.0
151.07628	0.5
152.00684	4.3
153.01886	1.2
159.02783	0.5
160.01608	23.7
161.02419	9.2
161.04543	1.8
161.05978	1.3
161.09691	0.6
163.00334	1.7
163.03931	1.0
163.11325	0.5
164.01099	1.4
164.04747	1.1
165.01866	5.4
166.05051	2.2
167.03410	1.4
167.38835	0.5
169.01361	3.6
173.02415	0.7
174.01640	0.6
175.00432	2.5
175.03958	28.1
176.04333	1.3
177.01889	9.3
178.02548	1.2
179.03490	1.8
179.05498	0.7
185.06015	1.4
187.00348	1.2
187.03935	2.7
190.02667	1.3
191.07088	0.7
193.01410	1.4
193.05031	7.9
202.02811	0.6
203.07329	0.7
205.01471	1.3
205.05061	1.5
209.11856	0.5
223.06110	2.5
224.13081	0.5
227.07173	2.7
229.05040	0.8
231.10289	0.9
235.06071	1.4
259.02512	0.6
269.04596	2.6
270.05206	0.6
271.06186	35.4
272.06500	3.4
277.10703	0.6
283.06271	0.7
285.07742	1.7
293.04547	1.8
313.07159	0.9
315.07233	1.1
331.59808	0.6
339.07312	1.8
351.08746	0.8
371.15213	0.7
383.06598	0.6
413.08829	1.3
441.10370	0.6
459.12451	1.1
482.20447	0.6
545.13159	1.1
561.16144	1.2
579.17169	3.2
609.18176	5.1
610.18243	0.9
635.16272	20.8
636.16583	2.5
650.38019	1.1
651.39532	1.4
661.17328	1.2
669.40289	0.6
755.21997	85.5
756.22327	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	753.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.9
57.03343	4.8
57.78944	0.7
58.00463	2.3
59.01263	57.8
61.98432	0.7
61.98710	5.2
63.84401	0.8
64.56882	0.6
65.00228	1.6
69.03337	2.2
71.01266	58.7
71.51785	1.0
72.01601	1.3
72.99192	4.2
73.02835	14.8
75.00752	2.3
81.03329	0.8
83.01275	11.6
83.04916	1.1
85.02841	23.0
86.02325	0.6
87.00755	4.0
87.04399	0.9
89.02336	28.7
90.02602	0.8
93.03358	0.8
95.01295	5.4
96.95910	3.3
97.02861	2.5
98.03828	0.7
99.00785	6.0
99.04388	1.6
101.02347	45.8
102.02625	1.0
107.01291	1.7
108.02086	1.2
109.02889	1.3
111.00799	2.9
112.01538	1.2
113.02354	28.4
115.00385	0.8
116.92741	1.6
117.05534	0.6
118.96999	0.7
119.03415	10.5
119.04913	2.3
121.02794	0.8
123.04453	1.7
125.02370	8.6
129.01825	1.1
131.03384	1.5
133.02855	2.2
135.04453	1.0
137.02364	2.0
141.01909	0.8
143.03429	3.1
145.02979	0.7
147.04468	1.0
149.02380	2.1
149.04530	0.9
151.00319	3.7
152.00934	1.1
153.01878	0.9
159.02997	4.1
161.02376	1.4
161.04514	27.5
163.03986	1.2
164.04666	1.5
165.01901	0.9
166.02774	0.8
167.03360	1.5
171.06523	3.3
173.00841	1.6
173.06036	0.9
173.09593	0.8
175.03941	4.3
177.01863	2.6
179.05565	3.5
179.07047	1.1
181.05038	0.8
189.12820	12.4
190.13145	0.7
195.06651	0.8
199.04018	1.6
201.01875	0.9
205.05072	1.1
207.13895	2.6
217.05058	5.7
219.08728	0.8
223.06065	2.6
237.09818	47.5
238.10112	1.9
241.05095	1.2
253.05089	5.8
271.06134	1.4
275.19611	0.8
279.10916	3.1
285.04111	39.4
286.04520	3.7
287.05545	0.7
297.11972	1.6
305.08844	100.0
306.09177	7.3
315.07248	0.8
387.20331	14.1
388.20718	1.2
396.01923	0.7
406.41266	0.7
439.19757	0.9
455.19308	85.4
456.19577	9.7
607.59424	0.7
663.19751	1.2
693.29938	19.3
693.41760	1.2
694.30115	4.5
721.15588	0.9
753.22559	1.5
784.71436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81454	0.8
55.01768	2.7
57.03339	4.8
58.00474	1.9
59.01263	56.3
61.98719	4.6
65.00211	2.7
67.01756	0.8
69.03351	1.8
71.01270	57.3
72.01569	1.1
72.99195	4.0
73.02834	14.1
75.00764	3.1
81.03355	1.4
83.01273	11.5
85.02841	23.1
87.00764	5.3
88.98703	1.2
89.02335	28.6
93.03355	2.1
95.01289	6.1
95.93690	0.6
96.95912	3.7
97.02851	2.3
98.15463	0.8
98.19740	1.7
99.00793	6.4
99.04414	1.1
101.02344	45.3
102.02685	1.4
107.01292	3.5
108.02081	2.5
109.02872	2.6
111.00788	8.8
111.04415	0.9
112.01585	0.8
112.23648	0.7
113.02358	28.5
113.03162	1.5
114.01895	1.1
114.02646	0.8
114.15269	0.8
115.03925	1.1
116.92765	3.2
119.03428	10.1
119.04947	2.4
121.02863	0.9
123.04438	2.3
125.02370	11.9
126.13126	0.8
127.00309	0.9
129.01822	1.4
131.03424	1.4
133.02884	2.2
133.06436	0.9
134.03621	1.4
135.04434	1.8
135.06502	0.9
137.02338	2.6
139.00319	1.4
143.03391	4.4
145.02875	1.8
147.04401	4.6
149.02373	3.2
149.04553	1.2
149.06020	0.9
150.03226	1.3
151.00308	10.7
151.03905	0.9
152.01062	2.4
153.01866	1.2
159.02991	5.4
160.01631	1.6
160.03981	1.0
161.02409	1.6
161.04498	26.4
161.05794	0.9
162.04836	1.1
163.03928	1.1
164.04700	1.8
165.01830	1.5
165.04056	1.5
165.05431	1.3
167.03485	4.7
169.82405	0.8
171.06552	4.1
173.00862	2.9
173.02255	1.0
173.09630	1.0
175.00319	0.9
175.02583	1.1
175.03926	5.7
177.01886	2.2
179.05539	3.6
179.06995	1.2
181.04970	1.0
189.05519	1.4
189.12784	9.4
190.13167	0.9
193.05000	0.8
199.04019	3.6
201.01714	0.8
205.05113	1.0
207.13896	3.2
213.05566	1.0
217.05070	8.4
217.07013	1.4
219.08525	0.7
223.06075	2.0
225.15091	0.8
237.09807	52.4
238.10147	1.6
241.05002	1.8
243.03012	1.3
253.05080	15.6
254.05423	0.7
271.06042	1.6
279.11096	4.2
285.04111	54.4
286.04437	5.9
287.05627	2.3
295.10498	1.6
297.08182	0.9
305.08835	100.0
306.09290	5.2
308.03506	1.1
309.04214	2.9
313.11298	1.6
337.09436	0.8
343.08340	0.9
351.05078	2.3
365.11127	1.6
381.10559	1.2
387.20334	13.4
388.21216	1.2
425.08850	1.1
429.21408	1.1
455.19330	87.0
456.19720	9.5
505.21124	1.0
545.12573	1.4
579.17224	0.8
591.15326	1.2
617.15344	1.4
649.17633	1.2
659.16846	3.4
663.18884	1.6
677.17065	1.4
691.19696	1.0
693.30115	21.7
694.29919	3.6
721.17346	1.1
753.18121	2.4
753.29761	2.1
754.23004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.3
57.03332	6.2
58.00487	2.0
59.01266	63.9
59.44814	1.3
60.99197	1.6
61.22493	1.7
61.98717	80.0
69.03345	1.9
71.01270	42.5
71.04937	2.0
72.99210	3.6
73.02835	8.2
75.00766	4.6
78.95815	1.4
79.51773	1.6
81.03369	3.1
83.01278	6.7
85.02830	11.6
87.00777	8.3
88.98696	18.0
89.02328	25.6
95.01276	2.1
96.95919	13.0
96.96846	2.0
97.02869	4.7
99.00787	5.4
101.02353	24.0
104.03193	1.4
109.02860	2.1
111.04403	1.9
113.02354	12.2
116.92771	1.9
119.03419	6.4
119.04942	2.2
121.02886	3.2
125.02362	33.2
126.02703	2.4
130.08702	2.4
131.03429	3.6
134.03676	2.0
135.04442	3.4
143.03423	4.3
151.00346	2.9
161.02365	1.9
161.04486	6.2
174.01694	1.7
176.01097	1.7
179.05579	6.2
209.11827	2.4
223.06039	2.3
231.21019	2.8
235.08183	6.8
235.17058	34.5
236.17430	2.4
253.09236	2.2
275.20209	41.9
276.20660	4.6
293.21292	100.0
294.21591	8.2
305.08890	2.2
337.10791	1.8
341.06961	1.8
395.11618	1.7
397.13580	77.5
398.13992	4.8
415.14691	45.8
416.14883	2.6
673.34717	2.1
673.62799	1.8
691.35254	3.9
707.39258	2.5
750.83600	12.1
751.33246	6.2
751.82324	2.8
752.23053	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	753.263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
59.01266	4.5
61.98717	7.9
65.00223	0.4
68.99722	0.4
69.03337	1.4
71.01270	6.3
72.99195	0.9
73.02843	1.6
75.00792	0.4
79.01779	0.5
81.03342	1.0
83.01278	1.6
85.02840	4.0
86.66994	0.4
87.00784	1.1
88.98673	0.5
89.02342	1.1
93.03357	11.4
95.01304	2.4
96.95891	1.0
97.02868	0.9
98.20541	1.0
99.00773	0.9
101.02361	2.9
107.01277	0.7
107.04945	0.5
108.02075	60.5
109.02869	29.5
110.03194	0.8
113.02361	2.5
117.03326	0.8
119.04933	0.9
121.02856	2.2
122.03646	0.6
123.00801	1.7
123.04449	1.8
125.02371	4.1
126.02684	0.5
132.02113	0.6
133.02895	2.7
135.00807	3.5
135.04443	1.3
137.02376	21.2
145.02936	0.5
147.04471	0.6
149.02351	1.3
150.03137	0.7
151.00317	0.5
151.03957	2.6
152.01091	79.9
153.01877	35.8
153.02887	0.5
153.09164	0.4
154.02223	1.2
154.38347	0.4
161.02399	0.8
161.04504	0.9
163.03918	2.6
164.04709	0.5
165.01868	3.6
165.05498	1.2
167.03479	0.9
176.01077	1.4
177.01892	32.5
178.02217	1.2
179.07001	0.4
181.04980	1.0
191.03442	0.9
191.05252	0.4
195.03036	0.5
195.06528	0.6
195.78923	0.5
205.05066	0.6
219.02992	0.6
223.06061	1.0
225.04192	0.5
240.04341	0.5
241.04762	0.4
253.09048	0.4
268.03912	0.4
283.06204	1.6
284.06702	1.0
287.05652	0.9
299.07803	0.8
315.07281	100.0
316.07578	6.1
339.07269	41.0
340.07858	2.5
343.12021	0.6
357.08374	0.9
367.06610	0.6
376.37198	0.4
383.06256	45.6
384.06552	3.2
401.07309	19.9
402.07678	1.5
455.19177	0.4
559.13947	0.5
753.26288	13.4
754.26868	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	751.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.4
56.67310	1.1
57.03321	2.9
58.00481	2.1
59.01269	38.1
61.98719	68.2
69.03319	3.3
69.48636	5.5
69.49063	4.9
71.01270	32.1
72.99202	1.8
73.02830	5.6
75.00751	1.3
82.83208	1.3
83.01276	4.9
85.02863	7.6
87.00772	8.1
89.02337	23.9
94.47112	1.2
95.01290	3.0
96.95910	4.0
97.02845	5.0
98.20631	2.0
99.00765	2.4
101.02348	27.8
113.02368	12.3
113.09637	1.4
116.92787	4.0
119.03399	6.0
121.02829	2.7
121.10141	2.7
125.02368	11.8
143.03447	4.4
151.00343	1.3
161.04498	6.0
171.10181	6.4
179.05574	5.3
183.13901	6.6
185.11815	2.0
195.13918	3.4
209.11812	3.2
211.13417	6.8
212.94720	1.5
221.06635	1.5
221.67999	1.5
223.13234	3.1
235.08241	9.1
253.09364	2.4
275.20224	10.0
287.07745	2.8
293.21286	90.0
294.21588	9.3
305.08789	4.5
373.83685	1.3
397.13593	100.0
398.13907	9.3
415.14697	47.1
416.14905	4.7
691.35461	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	751.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.7
57.03315	1.7
58.00479	2.0
59.01265	41.5
60.75953	0.6
61.98713	7.8
68.40769	0.5
69.03338	2.7
71.01272	35.7
71.04907	3.1
71.26672	1.2
72.99195	2.9
73.02837	6.1
75.00757	1.3
81.03336	1.3
83.01273	4.1
83.04905	0.8
85.02841	7.4
87.00773	5.4
87.04412	0.6
89.02339	27.1
90.87344	0.6
91.03917	0.8
95.01277	2.7
96.95900	3.1
97.02859	5.6
99.00777	1.9
99.04393	0.9
101.02346	25.1
108.50385	0.6
109.02867	1.1
111.04437	1.2
113.02354	12.5
115.03907	0.6
116.92745	1.6
119.03416	7.5
121.02903	0.8
123.00760	0.6
123.04427	0.5
125.02372	9.8
131.03435	1.2
135.04411	0.8
139.03918	1.2
141.01816	1.2
143.03432	4.3
149.02271	0.8
149.04482	0.6
149.77400	0.6
151.00377	0.9
161.02367	0.6
161.04478	4.4
162.59489	0.6
167.03442	1.2
169.04947	0.6
179.05563	5.4
182.59207	0.6
185.04538	0.9
187.19676	0.5
190.22414	0.6
201.42780	0.6
209.15366	1.1
217.07216	0.7
221.06691	2.0
222.06995	0.6
223.17004	1.6
231.21179	0.9
235.08232	10.4
235.17046	16.9
236.17332	1.2
253.09297	1.9
263.07642	0.9
275.20212	18.8
276.20535	1.5
287.07834	3.1
293.21298	78.2
294.21625	6.6
305.08926	2.9
323.09848	1.4
325.10809	0.6
379.12332	0.9
397.13596	100.0
398.13843	7.4
415.14664	39.3
416.15012	2.4
687.62439	0.6
691.34949	3.1
707.39185	0.9
752.27106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47601	0.1
57.59947	0.1
59.01262	0.4
61.71639	0.1
61.98712	0.4
62.96274	0.1
63.07381	0.1
70.05032	0.5
71.01266	0.3
78.95794	4.6
79.95626	3.2
86.13593	0.1
89.02383	0.1
94.97953	0.2
96.95914	100.0
96.96809	6.9
97.95856	0.3
101.02387	0.2
118.96576	0.2
125.02348	0.1
155.24361	0.1
169.55307	0.1
182.99644	0.1
225.11412	0.2
244.32362	0.1
255.23337	0.4
288.78357	0.1
310.61075	0.1
313.88623	0.2
361.04645	0.2
385.18939	0.2
397.13712	0.4
435.08200	0.5
453.09213	0.7
602.10669	0.1
643.38068	0.2
691.32520	1.2
692.32404	0.2
751.38702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84605	0.1
58.00461	0.1
59.01266	1.1
61.98721	0.2
64.40257	0.1
66.41591	0.1
71.01270	1.2
72.99199	3.7
73.02828	0.2
73.99555	0.2
75.00763	100.0
75.37198	0.1
75.54733	0.1
76.01095	1.0
79.95700	0.1
83.01273	0.2
85.02822	0.2
87.00775	0.3
89.02337	1.0
101.02352	0.9
113.02374	0.5
119.03424	0.3
125.02374	0.5
137.01482	0.1
143.03413	0.2
161.04512	0.2
179.05583	0.4
227.64384	0.1
229.24467	0.1
235.08238	0.6
264.30887	0.1
277.21783	3.1
278.22232	0.3
283.90213	0.1
287.07855	0.1
305.08862	0.2
361.91422	0.1
397.13593	6.4
398.13992	0.8
415.14633	1.9
416.15189	0.2
511.48157	0.1
675.36340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	3.4
59.01263	23.9
61.98719	36.7
62.52539	1.4
65.00201	2.2
65.03844	1.7
69.03347	1.9
69.05765	1.3
69.24750	12.8
71.01270	17.5
72.99203	3.0
73.02837	5.9
75.00760	3.2
75.31200	1.5
81.03336	1.8
82.18802	1.4
83.01280	4.4
83.04924	2.3
85.02840	8.5
87.00755	4.3
87.02739	1.5
88.98682	4.6
89.02343	6.7
91.05430	4.1
93.03342	4.8
95.01276	1.9
96.95916	7.4
97.02850	2.9
99.00772	4.0
99.34341	1.4
101.02358	12.1
107.01297	4.8
108.02092	4.8
109.02869	25.6
111.00755	1.9
113.02374	8.3
116.92744	2.7
117.03400	1.6
119.03430	3.1
119.04932	4.7
121.02882	11.7
123.00793	1.5
123.04433	2.4
125.02366	11.3
133.02882	1.9
134.03658	9.5
135.04449	69.7
136.01572	1.8
136.04816	3.2
137.02342	4.4
138.03107	2.4
145.02882	2.8
147.04468	6.1
149.02376	8.8
149.06015	8.4
150.03186	4.2
151.00323	19.1
151.03925	4.3
152.01050	4.9
153.01840	4.2
160.01634	10.3
160.03975	1.6
161.02380	6.6
161.04514	5.1
161.05896	2.3
163.03941	3.7
164.01012	1.6
164.04753	8.4
165.01801	4.2
165.03975	2.8
167.03436	2.6
169.12300	1.6
173.05989	2.1
173.11708	1.8
174.03044	2.5
175.00250	2.4
175.02591	2.3
175.03918	10.8
176.04559	2.5
177.01881	5.2
177.05602	1.6
177.09106	3.4
179.05424	1.4
181.05089	2.2
185.06055	1.8
187.04089	1.7
188.07068	2.7
189.05524	3.0
190.02687	3.7
191.07178	3.6
191.10756	1.8
193.05013	5.4
193.08681	6.7
196.00136	2.6
197.11826	4.5
199.03973	4.9
201.01956	2.0
203.07082	3.2
204.07964	2.9
205.05026	3.9
205.08696	26.1
206.09183	2.7
207.10321	1.7
209.09853	1.5
209.11746	7.2
217.10814	5.3
219.10263	31.0
220.10646	2.0
223.04042	3.0
223.06094	5.7
231.10274	12.2
241.05078	4.3
253.05179	2.4
257.04630	2.3
257.08215	1.7
268.04227	1.5
268.07721	1.6
269.04633	5.0
272.06979	4.2
284.03281	4.1
285.04089	12.4
286.04706	3.1
287.05731	4.5
297.07788	2.4
299.05682	1.9
315.07312	2.3
337.09326	2.0
339.12350	2.9
341.14005	98.6
342.14291	10.1
383.11307	3.2
413.12524	4.1
415.02530	1.5
427.79575	1.5
485.18250	3.3
503.19348	100.0
504.19690	13.3
545.20422	18.1
546.20172	3.1
549.16467	1.9
593.15430	5.1
594.16003	30.7
595.15955	3.9
649.38818	1.8
665.24878	2.5
691.22388	10.6
692.23492	2.6
707.25867	16.7
707.38361	2.5
708.26257	3.6
719.34888	3.2
750.82965	5.5
751.23340	5.9
751.37433	10.4
752.22406	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	751.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01323	5.5
60.02762	0.3
61.98777	2.8
62.16308	0.3
65.36225	0.3
69.39944	2.9
71.01337	2.5
73.02921	0.6
75.00799	0.4
83.01337	0.7
85.02931	1.3
87.00838	0.3
88.98775	0.6
89.02433	1.1
89.04827	0.3
89.43468	0.3
93.03424	0.8
94.91141	0.3
96.96015	0.4
101.02444	1.3
101.82875	0.3
108.02158	0.5
113.02464	1.0
116.92838	0.4
117.03442	0.4
119.03501	0.3
119.04998	0.8
121.02898	0.4
122.03859	0.3
123.04506	0.4
125.02445	0.9
133.02992	0.3
134.03741	0.4
135.04546	0.5
137.02478	0.9
145.02919	0.6
149.02521	0.7
149.06039	0.4
150.03256	0.7
151.00401	0.6
151.04062	0.4
161.02490	0.6
161.04594	0.4
165.05547	0.6
166.05167	1.1
167.03560	0.3
175.03986	0.5
195.06757	0.4
199.33627	0.4
201.45354	0.3
217.05212	0.9
223.06299	0.6
224.04727	0.4
224.13206	0.3
253.05148	0.3
267.03006	0.3
268.03860	1.2
269.04663	0.5
281.04605	0.6
281.14081	0.5
282.05405	0.7
283.06332	0.6
293.04785	1.2
295.03177	0.4
295.06021	0.6
297.04160	1.1
307.06400	0.4
307.09802	0.7
308.06970	0.4
309.04135	2.2
310.04919	1.0
311.05524	0.5
313.07257	1.1
314.04483	0.4
321.04120	2.1
321.07605	0.4
323.05713	4.7
323.09244	26.1
324.06259	0.7
324.09827	2.2
325.07401	1.1
336.10175	0.8
337.07303	0.5
337.10886	5.7
338.11432	0.9
340.06207	1.0
341.06622	1.1
342.03970	0.9
349.10770	0.8
350.08005	0.4
351.08795	23.0
352.09375	4.6
353.10394	1.1
355.08368	3.2
356.09000	1.1
357.09888	0.5
365.05768	0.7
365.10358	16.6
366.11099	22.3
367.11789	5.3
391.11935	0.5
397.13312	0.4
409.12949	1.6
411.11237	1.5
425.12543	0.7
426.13293	0.6
529.17249	100.0
530.17615	13.4
551.20007	0.5
557.12549	0.6
571.18347	2.7
669.31311	0.5
669.81506	0.9
682.91455	0.4
691.22498	19.4
692.23126	3.3
751.24500	12.3
751.37811	0.8
752.25110	2.3
774.76422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.5
59.01265	15.5
61.98718	15.4
63.02277	1.7
65.00215	7.4
68.99673	0.9
69.03315	0.9
71.01276	9.1
71.27589	1.8
71.54265	1.1
72.99184	1.7
73.02835	2.4
83.01279	6.2
84.11553	0.8
85.02839	3.5
87.00769	2.8
88.98691	1.1
89.02343	3.3
93.03338	1.2
95.01289	2.2
96.95918	3.6
97.02847	1.1
97.06469	1.1
99.00780	2.6
101.02338	3.6
107.01289	16.0
108.02085	5.6
109.02853	4.1
113.02334	3.7
119.04939	1.8
121.02841	3.0
123.00830	1.1
123.04433	0.9
124.01576	1.3
125.02358	8.0
131.03448	1.2
133.02864	2.9
134.03670	14.2
135.04457	16.5
136.01595	4.5
137.02374	2.3
143.03487	1.7
145.02925	0.9
147.04465	2.1
149.02406	2.8
149.05980	1.9
151.00307	54.4
152.00801	2.6
153.01845	3.0
155.04974	2.2
160.01567	1.8
161.02390	3.8
161.05974	1.1
163.00369	1.3
164.01100	10.4
164.04736	1.5
165.01891	6.3
165.05551	1.1
167.03458	1.9
169.01402	1.6
171.04485	1.0
173.02432	1.0
174.03165	3.6
175.00333	1.1
175.03908	3.4
177.01892	8.2
179.03513	1.8
179.05508	1.2
181.05034	1.1
185.02405	1.3
185.06039	1.0
187.04065	1.8
189.05534	1.7
193.01372	2.0
193.04933	1.1
195.04562	1.3
196.00110	9.3
197.05991	1.1
198.03200	2.4
199.03966	13.6
200.04500	1.3
201.01964	4.7
203.10654	1.0
205.01436	1.3
205.05023	1.3
209.11755	1.1
212.04785	1.4
213.05548	2.8
213.09358	1.2
215.03461	3.4
215.07007	0.8
216.04276	1.4
217.04953	1.8
223.03981	6.7
223.06056	2.2
224.04477	1.0
225.05482	1.2
229.05089	1.1
235.02441	2.4
240.04288	5.1
241.05048	10.3
242.05656	2.0
243.03033	1.2
256.03741	1.3
257.04568	5.8
258.05215	1.8
268.03806	2.1
269.04550	2.6
271.06100	1.6
284.03253	9.1
285.04105	40.6
286.04752	11.4
287.05658	11.4
299.05673	1.1
341.13962	1.8
365.10468	2.5
383.11389	16.0
384.11710	1.3
395.11435	2.1
447.51556	1.0
459.11438	4.4
475.14731	1.6
485.12915	3.1
502.87234	0.9
545.32983	1.1
549.16357	7.8
593.15259	24.0
594.16028	100.0
595.16327	15.3
673.21393	7.3
674.21704	1.6
691.22522	36.9
692.22998	6.6
707.39032	1.0
751.23572	3.0
751.37579	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	749.4495
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01772	1.5
57.03076	0.3
57.03339	2.9
58.00483	0.7
59.01265	10.4
60.01584	0.2
61.98722	1.0
67.01771	0.4
68.99708	1.6
69.03355	0.4
71.01268	22.1
72.01620	0.3
72.99194	1.4
73.02836	3.3
75.00762	13.3
81.58143	0.1
83.01274	3.4
84.02040	0.2
85.02840	15.2
85.99979	0.2
86.03160	0.3
87.00774	0.7
89.02337	7.3
89.41856	0.2
95.01279	2.9
97.02824	0.2
99.00779	11.5
100.01140	0.2
101.02342	1.9
111.00809	0.5
112.01559	0.5
113.02355	6.3
115.00279	0.5
121.02869	0.2
129.01840	0.8
131.03435	0.8
131.04289	0.1
135.04474	0.2
139.00296	0.6
139.49203	0.1
157.01367	1.4
189.09096	0.2
202.98318	0.2
260.37317	0.2
354.63647	0.2
421.31229	0.2
423.32745	0.3
439.35858	2.9
440.36246	0.5
441.37729	0.2
485.36688	0.2
509.39957	1.2
514.14246	0.2
599.39471	0.5
617.40411	0.5
749.44928	100.0
750.45300	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	747.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.9
58.00506	0.8
59.01265	12.9
61.98704	1.0
67.01775	1.0
71.00903	1.3
71.01271	20.0
71.06892	1.5
72.99194	7.1
73.02840	1.7
75.00771	23.6
75.96464	0.7
80.02543	1.2
81.03348	1.7
83.01270	1.8
85.02847	25.9
85.03365	1.4
87.00762	7.3
89.02316	3.3
95.01281	7.2
99.00787	12.8
103.00270	2.8
111.00816	0.9
113.01642	1.5
113.02370	24.2
115.00254	2.7
117.01830	3.1
123.09223	0.8
129.01860	1.7
135.08081	0.9
137.20853	0.7
157.01387	0.9
163.11214	3.6
165.12769	2.3
170.91867	0.8
175.02408	3.5
205.07292	0.9
209.11827	40.4
210.12286	4.1
225.80116	0.8
227.12920	2.7
236.99290	0.7
241.36514	1.0
249.06181	3.2
255.23344	100.0
256.23685	8.9
380.66159	0.8
491.22028	1.6
505.30795	2.4
697.42859	1.0
715.42902	93.6
716.43347	19.4
747.45587	99.8
748.45862	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	747.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33134	0.7
59.01265	100.0
60.01631	1.0
60.11404	0.7
61.98728	0.9
69.25723	5.9
69.26144	2.4
91.70058	0.7
116.77964	0.6
128.91400	0.7
160.89030	0.8
192.04019	0.8
194.78172	0.7
230.62097	0.8
293.21408	1.8
371.37527	0.8
440.14725	0.9
455.17346	2.9
457.52206	0.9
473.18234	5.5
496.13901	2.3
497.13382	1.0
510.15628	1.4
511.16202	1.1
512.13501	10.5
513.13867	1.6
525.13763	1.0
526.15161	13.2
527.15820	3.7
528.15900	0.8
569.16467	1.4
599.18695	1.6
601.19611	4.7
613.19220	2.1
614.20325	73.1
615.20428	17.0
632.17780	1.6
646.19263	10.2
647.19733	3.0
673.21198	0.9
687.23340	5.2
688.24396	1.6
747.25409	66.6
748.25647	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
57.03331	3.6
57.34077	0.6
58.00478	1.1
58.04424	0.6
59.00996	1.0
59.01266	15.6
61.98717	1.5
62.08973	0.6
62.52447	0.6
65.00192	0.9
68.99699	2.2
70.71040	1.7
70.71398	1.1
71.01270	22.7
72.99213	1.9
73.02836	3.4
75.00369	0.8
75.00766	12.6
83.01283	5.0
85.02843	17.0
87.00747	1.2
89.02332	7.3
95.01301	3.2
95.49246	0.7
96.95932	0.9
99.00784	10.6
100.01170	0.7
101.02332	2.8
107.01276	1.4
113.02362	7.1
123.04456	1.7
125.02349	2.7
131.03430	0.8
135.04411	0.6
139.00287	0.7
151.00293	2.3
157.01366	1.3
164.01607	0.6
166.96408	0.7
167.03450	2.7
168.34708	0.7
195.04237	0.6
249.47552	0.7
255.23163	1.0
266.22906	0.7
277.21710	4.4
278.21906	0.7
283.13541	1.6
311.13058	1.4
327.16110	0.9
397.13727	2.0
415.14545	1.2
437.34174	2.7
475.14914	1.2
507.38290	0.9
601.21014	0.7
601.71436	0.9
747.43414	100.0
748.43646	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	746.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	2.2
59.01254	6.9
61.98716	2.9
63.02288	2.3
65.00214	17.8
66.00571	0.7
70.58963	1.5
71.01281	4.3
72.99210	0.9
73.02843	0.9
75.00783	0.6
83.01273	9.0
85.02860	1.3
87.00785	0.7
89.02338	1.2
91.11594	0.6
93.03368	5.0
97.02862	0.8
99.00827	1.2
101.02368	1.8
107.01296	27.9
109.02881	1.0
110.02389	1.6
112.03945	5.9
113.02360	1.7
117.03370	5.1
119.04949	38.3
120.05312	0.9
121.02847	0.8
123.04442	0.7
124.03970	4.8
125.02370	20.8
126.02752	0.8
135.04475	0.8
137.02380	0.9
140.07117	2.2
143.04956	1.0
145.02893	23.0
146.03278	1.5
149.02388	1.6
151.00310	100.0
152.00659	3.3
153.01839	1.3
161.02415	1.5
161.04465	1.0
163.00240	1.3
164.01219	0.6
165.01912	4.3
165.05504	0.9
166.05048	53.0
167.03468	0.9
167.05357	1.8
169.01360	2.6
173.77744	0.7
175.00325	2.1
177.01891	7.4
179.03470	0.9
179.05438	0.6
184.06148	5.5
185.05974	1.6
187.04001	2.4
193.01410	1.9
201.85789	0.8
205.01457	0.8
209.04532	1.0
209.11760	0.9
227.07115	2.9
234.74725	0.7
235.02493	1.9
253.05042	0.8
269.04712	1.1
271.06186	47.0
272.06555	3.4
313.07300	1.3
339.07266	1.5
433.13641	1.7
459.11639	5.2
561.16138	1.4
579.17328	78.8
580.17566	10.5
600.19653	4.5
626.17676	6.8
627.18091	1.3
633.19128	0.9
745.38654	0.8
746.23114	39.3
747.23340	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	745.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
59.01265	9.0
61.98714	4.3
69.03350	2.8
69.31596	5.6
71.01271	8.7
72.99226	0.7
73.02847	1.3
81.03356	1.3
83.01279	1.6
85.02847	4.0
87.00762	1.0
89.02335	6.4
91.64105	0.5
93.03369	1.6
95.01284	3.2
96.95889	3.3
97.02858	1.4
99.00793	1.0
101.02345	4.6
107.01283	1.6
108.02076	42.3
109.02870	35.7
110.03197	1.1
113.02364	3.5
117.03385	1.4
119.03436	2.4
119.04922	1.1
121.02869	1.9
123.00792	2.7
123.04446	1.2
125.02340	5.1
133.02852	0.8
135.00774	1.0
135.04483	1.1
137.02367	1.4
149.02388	2.3
150.03175	3.4
151.00298	1.8
151.03963	1.6
152.01096	40.5
153.01878	100.0
154.02213	3.7
161.02344	0.7
161.04515	0.9
163.03979	1.4
164.04701	0.6
165.01831	2.8
165.05507	3.0
165.09232	0.6
166.02640	0.5
167.03479	1.4
173.02356	0.6
175.03867	0.6
176.04759	0.5
177.01877	0.8
177.05460	0.8
179.03458	1.2
179.05531	1.3
181.05119	0.6
190.02673	0.9
193.05069	0.7
195.02959	0.8
195.06580	2.6
205.05003	0.9
207.02884	0.5
209.08328	0.7
215.03578	0.5
269.04715	0.6
270.07776	0.7
275.76434	0.5
282.95856	0.7
287.05612	0.6
305.04694	0.6
311.63034	0.5
315.07281	86.1
316.07635	6.6
335.05701	1.5
339.08994	1.1
357.13235	0.5
369.13568	3.0
417.10199	0.6
425.08838	6.9
426.09198	1.2
433.30984	0.6
522.21045	1.3
523.21960	40.7
524.22473	5.9
545.13116	7.7
546.13580	1.2
583.21954	1.1
602.66809	0.6
671.31628	0.5
685.15588	1.0
685.27173	16.6
686.27826	3.5
745.21338	2.5
746.22662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.5
58.00486	0.7
59.01263	10.6
61.98726	2.2
65.00196	0.4
69.03361	0.3
69.49509	0.3
69.49831	2.7
71.01270	9.5
72.99186	0.8
73.02832	0.9
83.01294	0.8
85.02837	2.1
87.00780	1.1
89.02340	8.2
93.03339	3.3
95.01303	1.0
95.04943	0.3
96.95929	1.1
98.20502	0.6
99.00788	0.7
101.02338	4.1
108.02072	1.5
109.02882	1.6
112.03960	0.9
113.02351	3.6
117.03387	0.6
118.05099	0.4
119.03415	4.6
119.04916	0.6
121.02865	5.0
122.03661	12.3
123.00772	0.9
123.04453	0.8
124.01556	0.7
124.03947	0.5
125.02364	1.2
131.03441	0.6
133.02888	1.8
134.03642	0.7
135.04521	1.6
136.01588	11.4
136.05196	0.4
137.02405	2.7
137.06058	0.4
139.03908	0.5
143.03427	0.8
145.02863	1.0
146.03726	0.4
147.04459	0.9
149.02385	15.6
149.05997	0.7
150.03166	89.3
151.00339	4.0
151.03958	13.6
152.01077	1.4
152.04391	0.4
153.01935	2.0
160.05128	0.5
161.02406	0.9
161.04504	1.5
161.05830	0.6
162.03162	3.7
163.03900	0.7
164.04736	4.0
165.05522	100.0
166.02695	10.7
166.05040	7.7
166.06116	1.8
167.03378	1.0
174.01735	0.3
175.03951	1.3
177.01923	0.9
177.05496	2.6
178.02722	0.5
179.05621	2.1
179.07018	0.5
180.04266	6.9
181.05028	11.7
182.05429	0.4
184.06107	0.7
189.05597	0.7
190.06271	1.2
191.03383	0.6
192.04298	0.4
195.06606	97.7
196.06935	4.2
205.05022	1.3
208.06245	0.6
221.08257	0.8
223.06148	0.6
253.05179	0.4
275.34189	0.3
285.04218	0.9
309.07507	0.3
315.07315	1.9
324.09894	0.5
328.10352	1.2
329.10382	0.7
335.05753	0.6
342.11041	1.0
357.09665	2.6
357.13486	7.2
358.09851	0.4
358.13910	0.8
369.13400	1.0
372.12173	2.2
373.12769	0.4
387.14587	26.8
388.15079	2.9
403.13928	0.5
412.89206	0.3
455.09683	0.7
523.21722	0.5
535.19727	3.6
536.20184	0.4
547.19427	0.6
553.20349	1.3
565.20514	0.5
575.13867	1.0
583.21979	22.9
584.22296	4.7
745.25537	0.7
745.40839	0.5
746.25934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88313	0.7
55.33106	0.8
57.03325	1.0
59.01259	13.6
60.24982	0.8
61.98705	3.4
69.03333	0.8
69.40785	6.1
71.01267	9.7
72.99210	1.3
73.02818	1.7
75.77441	0.7
83.01284	2.1
85.02840	3.4
87.00751	1.3
89.02342	7.5
93.03362	5.2
95.01286	2.3
95.04937	1.0
96.95909	3.9
99.00767	1.5
101.02325	6.3
107.04910	1.0
108.02075	2.3
109.02852	3.1
113.02375	4.1
115.03886	0.9
117.03376	3.2
119.03397	2.9
119.04945	1.6
120.01146	3.3
121.02867	12.4
122.03661	15.8
123.00813	1.3
123.04428	2.7
124.01571	1.2
125.02328	4.3
133.02873	2.7
134.03667	1.5
135.04468	9.2
136.01593	21.5
136.05215	1.3
137.02396	5.8
139.03955	1.1
145.02896	1.4
147.04424	2.3
149.02379	32.8
149.05981	4.1
150.03165	97.7
151.00310	7.9
151.03970	23.6
152.01060	3.4
152.04408	1.2
153.01881	1.6
159.04443	1.1
160.05144	1.4
161.02409	2.9
161.04582	1.3
161.06038	1.4
162.03163	1.6
163.03992	3.7
164.04761	8.4
165.05521	100.0
166.02660	15.5
166.05920	4.2
167.03392	3.9
172.01215	0.8
172.05357	1.8
173.02394	1.2
174.03082	1.0
175.03932	5.0
176.04622	1.0
177.01814	1.9
177.05528	2.5
179.03468	1.4
179.05560	1.6
179.07097	1.7
180.04233	6.5
181.05029	20.1
189.05527	3.3
190.06299	7.8
191.03392	0.9
191.06924	0.9
193.04988	1.5
195.06606	59.1
196.06876	3.1
204.04277	1.0
205.05037	1.6
205.08734	1.8
207.10127	1.4
217.01459	1.2
241.01480	1.2
253.05231	1.6
271.06146	1.4
282.05414	2.1
283.06250	1.1
287.05579	0.9
297.07758	0.9
305.04242	0.9
309.07657	1.8
311.09222	0.9
315.08701	1.5
324.09821	1.0
329.10312	2.3
335.05649	6.9
339.08496	1.6
339.12396	1.1
342.11206	1.4
355.11850	1.2
356.12729	2.1
357.09732	4.8
357.13492	8.6
358.13889	1.1
369.13434	2.6
372.12210	4.2
373.12570	2.1
386.13626	2.6
387.14569	54.6
388.14883	7.0
425.09012	4.7
455.09821	6.2
490.16315	1.0
505.19171	4.3
535.19806	62.8
536.20343	10.2
545.13153	13.1
546.13477	2.6
553.21332	1.7
565.20703	3.1
575.14008	1.3
579.17627	1.1
583.21997	48.5
584.22137	8.8
701.37415	1.3
745.23706	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	745.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93608	0.3
56.29224	0.3
59.01270	0.9
61.23539	0.3
61.53955	0.3
68.99730	0.4
69.03338	0.4
69.50799	2.6
71.01269	3.3
72.99201	0.6
73.02833	1.1
81.03338	0.5
83.01286	0.7
85.02847	3.3
87.00769	0.5
89.02355	0.4
93.03364	0.8
95.01264	2.2
98.20612	0.4
99.00782	1.0
101.02362	1.6
108.02075	56.8
109.02882	20.2
110.03201	0.4
111.00710	0.4
113.02370	1.9
121.02851	1.6
123.00807	1.4
123.04403	1.3
125.02349	0.8
133.02837	0.5
134.03644	0.5
135.04485	0.7
137.02356	0.7
149.02454	0.4
151.00298	0.5
151.03951	2.3
152.01089	100.0
153.01881	26.1
154.02223	1.0
161.04514	0.4
163.03967	4.0
165.01875	1.8
177.01878	0.9
179.03491	1.0
180.04224	0.4
181.05042	1.0
195.06609	1.0
204.26099	0.3
207.02910	0.8
225.03972	0.5
297.06192	0.5
315.07275	34.2
316.07538	1.7
323.17868	0.3
343.10773	0.5
391.14166	0.5
406.16605	1.1
410.31909	0.4
421.18851	4.3
429.10461	19.1
430.10721	1.2
447.11612	4.7
501.28415	0.3
583.13049	0.9
584.13794	0.4
745.18463	56.9
746.18695	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	743.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
60.99195	16.8
61.98716	1.4
71.01254	0.5
71.58781	0.6
81.93128	0.4
87.00762	1.3
88.00307	3.8
88.02376	0.4
88.98701	100.0
89.02342	10.6
89.99018	1.0
96.55817	0.4
146.58241	0.5
171.10269	0.8
171.25305	0.5
204.11661	0.4
255.23354	1.4
397.13629	1.0
417.47305	0.5
743.49445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.8
59.01264	12.9
61.98717	11.5
63.02291	3.3
65.00208	17.9
67.14315	0.6
68.99713	1.1
70.91847	1.0
70.92182	1.5
71.01266	10.0
72.99202	1.5
73.02831	2.7
75.00760	1.4
80.59143	0.7
81.03344	1.1
83.01278	10.6
85.02837	3.5
87.00771	1.7
88.98717	1.0
89.02344	4.5
93.03355	12.9
94.03699	0.9
94.73227	0.8
94.99218	0.6
95.01292	0.8
96.95915	5.1
99.00793	1.6
101.02339	5.0
107.01296	23.1
108.02090	3.0
109.02866	3.3
110.02388	2.8
112.03960	1.3
113.02364	4.1
113.90071	0.6
116.92805	1.6
117.03373	4.6
119.04941	38.1
120.04463	2.0
120.05263	1.4
121.02871	5.0
121.06505	0.8
122.02399	1.6
123.03188	2.6
123.04451	1.7
125.02367	16.6
126.02737	1.2
131.01335	0.9
133.02888	1.4
134.03641	1.4
135.04466	3.2
136.03998	6.0
136.04918	1.2
137.02353	4.7
138.02663	0.8
138.05537	9.1
139.00299	0.8
139.03899	0.9
143.04924	0.8
145.02892	14.2
145.85283	0.7
146.02411	2.4
149.01106	4.2
149.02376	3.2
149.06027	2.6
150.03174	1.3
151.00307	100.0
152.00621	5.0
153.01849	1.8
157.47253	0.7
161.02380	2.3
161.04514	2.1
161.05988	1.5
163.00371	1.0
164.03484	74.9
165.01924	5.7
165.03802	3.7
165.05446	1.6
165.09163	1.0
167.03372	1.7
169.01381	3.7
175.00293	2.7
175.02432	1.0
175.03918	1.2
177.01881	8.9
177.05316	0.8
179.03419	1.4
179.05562	1.5
181.05034	0.8
183.10251	0.7
184.50119	0.7
185.06058	1.9
187.03986	3.2
190.02722	0.9
191.03575	0.9
193.01385	2.4
193.05003	0.8
195.06607	1.4
199.13412	1.3
205.01457	1.5
205.05084	1.3
209.08061	0.7
223.06071	1.2
227.07129	2.5
229.05058	1.5
235.02470	1.5
253.05084	1.3
269.04611	2.3
271.06183	55.1
272.06445	3.3
283.06274	0.8
283.19293	0.8
285.04166	1.6
287.22345	2.7
295.06024	1.4
297.00052	0.7
297.04004	0.7
313.07214	1.1
315.07230	1.1
335.05804	1.9
339.07272	1.4
403.12796	1.3
426.08774	1.3
459.11649	5.4
495.33188	1.7
496.33731	1.2
538.34747	0.8
545.12701	1.9
561.16235	2.8
579.17316	58.7
580.17804	9.9
594.15625	1.0
598.17706	2.4
624.15900	7.8
633.18384	1.0
691.21967	1.6
698.98199	0.7
701.21045	1.4
701.38068	0.8
744.21545	48.5
745.21747	13.7
774.62897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.8
57.03336	0.8
59.01265	19.8
61.98715	4.9
69.77813	1.8
69.78223	1.3
71.01270	5.7
72.99192	0.6
73.02837	2.7
76.52102	0.5
83.01293	0.8
85.02839	1.9
87.00773	1.6
88.98679	0.7
89.02322	1.2
95.01252	0.5
96.95885	1.2
97.02867	0.5
98.19779	0.7
99.00752	1.0
101.02346	3.2
107.04918	0.6
109.02808	0.6
109.06512	2.7
110.16018	0.5
113.02351	1.4
121.02905	0.9
125.02391	0.9
133.02895	0.8
135.04463	1.5
137.06035	0.6
148.01602	1.9
149.02325	1.3
150.03120	0.5
151.00325	1.0
151.07539	0.6
153.05513	1.0
164.04630	0.5
165.05577	0.7
177.01823	0.6
187.07648	0.8
189.01923	0.7
189.63437	0.6
203.03526	0.7
213.01904	1.0
226.06259	0.6
239.06969	0.6
253.81050	0.6
254.05928	0.6
255.06770	0.7
259.95071	0.6
265.04971	0.6
267.06662	1.3
268.03665	0.6
271.06165	1.1
283.06152	1.2
296.03418	0.7
309.04129	0.9
310.04831	1.2
311.05698	6.7
312.06317	1.3
313.10803	0.7
322.04794	2.7
323.05649	7.1
324.06180	0.6
325.07193	1.0
326.08026	1.1
337.07269	2.3
344.05405	1.1
347.09033	0.6
351.08734	1.1
358.06854	1.9
364.09531	2.1
365.10352	8.7
366.10742	1.0
379.12039	3.4
392.12686	0.6
393.13507	1.1
407.15182	1.6
409.13293	1.3
410.13892	1.3
411.14780	1.1
417.13449	0.8
419.15054	1.0
421.12881	0.6
423.14377	0.6
425.16232	5.4
426.16553	0.8
433.13144	0.6
435.14560	1.2
437.15723	1.1
451.34549	0.8
453.15674	1.8
463.17868	1.0
467.17267	1.0
521.21918	2.6
569.20337	2.4
587.21600	3.4
595.38831	2.3
613.19598	1.2
613.39777	2.3
614.19910	1.4
629.22644	2.0
639.24567	1.2
655.40601	6.7
657.25702	3.5
683.39014	0.8
684.24420	1.0
698.38605	0.8
699.26825	100.0
699.39313	9.2
700.27100	20.7
700.39343	1.2
710.75958	0.6
743.27667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.3
59.01262	11.6
60.01607	0.3
61.98713	3.7
66.91637	0.3
67.44952	0.4
71.01262	3.7
71.54079	0.6
72.99187	0.4
73.02840	1.1
75.00791	0.4
78.95797	0.4
81.03374	0.3
82.82538	0.3
83.01277	0.7
85.02844	1.8
87.00778	1.0
88.98686	0.7
89.02336	1.1
90.55174	0.3
93.03334	0.3
95.01286	0.5
96.95903	3.4
98.54356	0.3
99.00778	1.0
99.04427	0.9
101.02346	2.6
107.04944	0.6
109.06561	0.6
113.02351	1.3
114.55292	0.4
116.92754	0.5
119.01320	0.4
119.03455	0.4
119.04923	0.4
123.04445	0.4
125.02358	1.3
133.02882	0.7
135.04440	0.9
137.06017	1.4
137.09662	0.6
138.06445	0.3
148.01576	3.2
149.02318	0.6
149.06006	0.5
151.00296	0.6
151.03969	0.5
151.07573	0.5
161.02353	0.4
161.04503	0.4
163.04012	0.4
165.05521	1.5
168.15176	0.4
201.01863	0.5
202.02599	0.4
206.61037	0.4
209.06155	0.4
213.01990	0.5
215.03526	0.6
224.04744	0.4
239.42709	0.4
253.05052	0.4
254.06015	0.5
265.05051	0.8
267.03107	0.6
267.06601	0.6
268.03806	0.4
275.09332	0.6
279.06851	0.5
281.04639	1.1
282.05286	1.0
293.04764	0.7
295.06512	0.4
296.03217	0.4
297.04059	0.7
300.03104	0.4
300.09659	0.4
307.06339	0.6
309.04175	1.4
311.05569	1.7
312.06390	0.6
314.04221	0.7
321.03906	0.5
322.05069	0.5
323.05719	2.5
324.06039	0.6
335.05273	0.4
337.07193	0.4
337.10870	0.6
353.14218	0.5
363.08792	0.5
365.10120	1.9
365.14075	1.2
366.10580	0.5
367.11795	1.7
377.10281	0.6
379.11786	1.1
380.12820	0.5
381.13504	6.0
382.14063	1.0
393.09320	0.7
394.14368	0.8
395.11133	2.1
409.12979	4.0
410.13754	3.5
419.15253	0.8
421.13135	0.7
423.14456	1.0
424.15125	0.6
435.14520	0.4
437.15970	2.8
440.11472	0.5
450.16534	1.0
451.17664	0.7
462.16943	1.2
479.17215	5.8
480.17987	29.5
481.18317	4.1
494.31964	0.7
495.20349	100.0
496.20688	14.1
496.28018	0.4
539.22479	0.8
613.38910	0.5
639.37366	2.7
655.40405	1.1
657.38562	0.5
698.38593	0.9
699.26660	4.3
699.39996	3.0
700.26654	0.7
743.28320	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	741.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
57.90578	0.8
58.00496	1.0
59.01265	27.3
61.98714	2.2
69.03349	1.6
69.12794	0.7
70.20789	3.0
71.01271	25.5
72.99194	2.8
73.02833	4.5
78.35187	0.8
78.95805	3.4
83.01301	3.8
85.02838	5.8
87.00779	5.5
89.02340	19.1
95.01286	0.9
97.02869	3.6
99.00818	1.6
101.02352	17.2
111.04433	1.3
113.02364	10.6
119.03445	6.5
121.02898	1.4
125.02380	9.1
125.09612	1.2
131.03448	1.3
143.03450	3.0
152.99516	2.8
161.04468	3.8
179.05621	3.9
221.06708	1.4
235.08246	9.3
253.09335	1.6
253.21773	1.0
255.23061	0.8
263.07693	0.8
277.21649	4.8
278.22101	1.0
283.26495	66.0
284.26776	6.3
287.07724	2.9
305.08859	4.3
323.09515	1.0
397.13593	100.0
398.13956	8.1
415.14661	29.3
416.14990	1.4
428.75336	1.0
505.26047	4.8
513.86615	1.1
681.40454	4.4
682.41144	1.4
741.38800	0.9
741.44501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58710	0.1
55.70475	0.1
59.01259	0.3
67.01790	0.1
69.03342	0.1
69.54520	0.8
71.01269	1.2
73.02835	0.3
81.03370	0.1
83.01274	0.3
84.02070	0.2
85.02834	0.6
87.00760	0.1
89.02373	0.1
93.03374	0.2
94.37528	0.1
95.01301	0.4
96.95952	0.1
97.02875	0.1
99.00756	0.1
101.02342	0.5
107.01216	0.1
108.02101	0.1
109.02852	1.3
113.02355	0.4
119.04953	0.1
121.02853	0.3
123.00804	0.9
123.04443	0.2
124.01602	0.1
125.02376	0.6
133.02805	0.2
135.65778	0.1
136.42401	0.1
137.02376	5.7
138.02956	0.2
139.00314	0.4
139.03952	0.5
147.04460	0.1
149.02362	0.7
150.03101	0.3
151.00302	10.1
151.03905	0.9
152.01141	0.7
152.04716	1.7
153.01866	0.3
153.05467	0.3
154.02654	0.2
159.03056	0.1
159.04489	0.3
160.05212	0.1
161.02425	0.2
161.04529	0.7
162.03148	0.1
163.03961	0.2
164.04747	0.4
165.01857	0.6
165.05536	0.1
166.02664	42.2
167.03258	2.6
168.04013	0.1
173.02316	0.2
175.03970	0.7
175.07588	0.2
177.01895	1.7
177.05495	0.2
178.02635	0.4
179.03465	0.4
179.07040	0.2
181.05023	67.0
182.05354	2.8
184.03726	0.7
188.04903	0.2
189.05495	0.3
190.02707	0.2
190.06348	0.8
191.03474	0.6
192.04254	0.8
193.04965	0.6
195.02937	0.3
203.03560	0.2
203.07124	0.2
204.04230	0.1
205.05042	0.7
205.08676	1.1
206.05849	0.2
207.02864	0.1
207.06609	1.1
209.04547	0.3
217.05110	0.1
218.05789	0.2
219.06544	0.2
220.07372	0.2
221.04506	0.2
223.06099	0.2
224.03276	0.2
233.08171	0.1
235.05994	0.1
267.68167	0.1
271.06155	0.1
286.08478	0.1
299.05798	0.1
301.07281	0.4
314.08002	0.1
316.09805	0.2
329.10278	0.4
341.10355	0.2
351.87531	0.1
356.12573	0.3
357.09882	0.3
359.11356	1.4
369.09659	0.2
371.14975	0.4
372.08282	0.1
387.10907	10.0
388.11249	1.0
402.13272	8.8
403.13528	0.9
417.15613	100.0
418.15952	11.6
426.51382	0.1
462.73520	0.1
579.20270	0.4
651.23175	0.2
742.22717	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	741.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37802	0.3
57.03322	0.6
59.01259	2.9
59.36794	0.3
61.98712	1.0
63.02279	3.5
65.00208	17.7
66.00528	0.3
66.24597	0.3
71.01274	2.6
71.18954	0.7
71.68782	0.3
73.02831	0.4
77.04506	0.3
81.03331	0.6
83.01278	9.4
85.02846	1.4
87.00790	0.9
89.02338	1.4
93.03362	5.6
95.01289	0.5
97.02851	0.5
101.02349	2.2
104.61917	0.3
107.01291	28.5
108.02071	1.2
108.99231	0.4
109.02870	0.8
113.02358	1.2
117.03362	1.9
119.04942	44.2
120.05255	2.1
121.02834	0.8
122.03668	0.4
123.04420	0.7
125.02362	8.5
126.02710	0.4
131.01311	0.5
132.94864	0.3
133.02818	0.6
135.00821	0.4
135.04459	0.7
135.16516	0.3
136.01628	0.7
137.02373	1.2
143.04961	1.5
145.02895	4.8
149.02391	1.1
151.00305	100.0
152.00639	3.2
153.01860	0.7
157.06482	0.3
161.02299	0.7
161.04486	1.2
161.06007	1.9
164.01088	1.0
165.01877	4.7
166.02661	0.6
167.03508	0.5
169.01369	3.1
175.00339	2.2
177.01903	7.1
179.03439	0.5
179.05576	0.7
181.05081	0.5
185.06029	2.6
187.03961	3.3
193.01430	1.7
200.00142	0.3
201.81726	0.3
203.07147	0.5
205.01509	0.4
209.06171	0.4
216.03055	0.3
225.05606	0.4
227.07112	3.7
229.05042	1.0
243.06564	0.3
256.07428	0.3
269.04584	1.2
270.05127	0.5
271.06168	79.0
272.06494	5.9
283.06204	0.4
293.04700	0.9
294.05035	0.8
295.05695	0.9
305.04733	0.3
311.05600	0.5
312.05939	0.4
313.07220	1.9
314.07755	0.5
315.07248	0.6
323.09964	0.7
335.05707	0.7
339.07263	0.5
397.09137	0.4
413.09000	0.5
414.09012	0.4
415.09116	0.5
425.08865	1.2
426.09222	0.5
427.09503	0.8
431.10202	0.5
432.09811	0.4
433.10611	0.6
459.13132	1.4
501.17831	0.4
535.14862	0.6
545.12854	1.1
546.13324	0.6
547.13538	1.0
561.14447	0.5
563.14050	0.7
564.03625	0.4
579.17609	1.6
595.18701	0.4
621.16974	5.8
622.16852	0.7
741.22595	67.4
742.22943	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	741.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
59.01261	2.2
61.98719	1.7
63.02299	2.8
65.00210	15.1
65.43201	0.5
71.01255	2.8
72.99197	0.6
73.02846	0.6
81.03347	1.2
83.01277	7.8
85.02850	0.9
87.00801	1.4
89.02352	1.4
89.32877	0.4
93.03354	6.2
101.02363	1.4
107.01295	27.2
108.02139	0.6
109.02903	0.6
113.02352	0.9
117.03387	1.6
119.04943	35.4
119.14668	0.5
120.05284	1.7
121.02865	0.8
123.00719	0.5
125.02356	9.4
133.02951	0.7
135.04375	0.7
136.01613	0.9
137.02396	0.9
143.04980	1.4
145.02913	4.7
147.04497	1.1
149.02399	1.2
151.00307	100.0
152.00642	2.9
153.01888	0.6
161.06067	1.4
163.00288	0.7
164.01083	0.9
165.01881	5.0
165.05525	0.5
169.01346	4.8
175.00327	1.6
177.01889	8.0
181.04988	0.6
185.06055	1.8
187.03983	2.6
191.03484	0.9
196.00153	0.7
199.07657	0.5
217.01408	0.7
227.07224	2.4
229.05093	0.9
251.02412	0.5
253.04828	0.7
269.04651	0.9
271.06177	53.8
272.06464	4.3
278.82828	0.5
311.05554	0.5
313.07086	0.6
339.07419	1.2
401.93512	0.5
417.16040	0.7
459.12979	0.7
579.17627	1.6
621.16864	8.1
622.17108	1.2
651.19098	0.9
741.22595	85.9
742.22937	15.0
742.35999	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.3
59.01276	4.5
61.98716	1.7
63.02282	3.4
65.00212	18.7
71.01270	5.2
72.99197	0.9
73.02846	1.2
75.00782	0.9
81.03367	1.4
83.01279	12.5
84.01598	0.5
85.02828	2.5
87.00772	2.3
89.02356	1.6
93.03369	7.2
95.01294	1.4
96.95923	1.3
97.02866	0.7
98.20501	1.1
99.00819	0.5
99.17995	0.5
101.02348	2.8
107.01300	28.9
108.02122	1.3
108.41481	0.4
109.02874	1.7
113.02381	2.2
117.03384	3.1
118.03706	0.6
119.04947	46.6
120.05290	1.9
121.02894	1.0
123.00781	0.6
123.04431	0.9
124.01595	1.0
125.02372	30.5
126.02712	1.4
133.02840	1.2
135.04483	1.1
136.01595	1.1
137.02377	1.9
143.04964	1.6
145.02890	6.7
149.02423	2.0
151.00311	100.0
152.00652	3.5
153.01845	1.3
160.03973	1.3
161.02359	1.1
161.04504	1.4
161.06055	1.8
164.01086	1.2
165.01880	6.4
165.05486	1.0
166.02640	1.4
167.03458	1.4
168.00589	0.8
169.01382	5.9
175.00346	1.6
177.01869	9.0
179.03441	1.0
181.05011	1.3
185.06070	2.7
187.03969	3.9
189.01923	0.5
190.02675	0.5
191.03474	0.7
193.01379	1.8
193.04968	0.6
195.06564	0.9
196.00136	0.5
199.07637	0.6
205.01343	0.7
226.55864	0.5
227.07127	4.3
229.05080	1.4
241.04973	0.9
253.05025	1.6
269.04642	1.1
270.05173	0.9
271.06180	57.6
272.06500	4.9
287.05780	0.6
293.04669	2.7
295.06262	2.2
298.72772	0.6
313.07068	1.7
319.06024	1.2
323.05704	2.8
337.07275	1.3
343.21133	1.0
349.07114	0.7
351.05447	1.1
367.08139	1.2
413.10275	1.1
417.15601	1.2
427.10300	1.0
441.08188	1.1
457.09479	1.0
459.11719	0.8
483.13092	0.6
579.17261	1.3
595.18671	1.6
621.16663	8.4
622.17188	0.7
741.22491	92.9
742.22803	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	741.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	4.1
61.98716	5.0
62.53574	0.4
69.23425	0.4
71.01250	0.5
71.20658	0.8
76.90901	0.4
77.03845	2.0
79.25271	0.4
86.23993	0.4
87.01981	0.5
93.03368	0.8
96.95941	0.5
101.02358	0.5
104.00572	0.4
108.94637	0.4
118.81416	0.4
121.02870	100.0
122.03198	3.3
137.02444	0.5
141.01614	2.1
165.01880	71.1
166.02251	3.0
180.05707	0.9
181.06563	2.8
191.03476	1.1
209.11815	2.5
210.01631	0.4
210.12128	0.9
211.13359	0.7
213.14970	1.6
225.05580	1.2
253.09346	0.7
291.19870	0.6
293.21631	0.9
294.21552	1.0
309.20813	0.9
310.21097	0.5
313.07224	1.6
357.06177	11.2
358.06586	0.6
435.14420	0.6
549.10059	0.6
741.14575	6.4
742.15033	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	741.2267
Annotation	Narirutin 4'-glucoside
Peak:m/z	Relative Intensity
53.33266	0.2
57.03321	0.2
59.01261	1.5
61.98709	0.3
63.02270	1.2
65.00211	6.2
71.01271	1.3
71.59511	0.2
72.99211	0.4
73.02824	0.2
77.17909	0.2
81.03323	0.2
83.01274	4.5
85.02844	0.4
87.00762	0.4
88.98708	0.4
89.02345	0.6
93.03355	3.2
96.95936	0.2
97.02858	0.2
97.85703	0.2
101.02363	0.7
107.01295	11.0
108.02145	1.4
109.02828	0.2
113.02357	0.6
117.03352	0.4
119.04942	18.3
119.92593	0.2
120.05267	1.0
121.02883	0.6
123.00814	0.4
124.01553	0.3
125.02359	2.9
126.02622	0.2
131.01315	0.3
136.01627	1.3
137.02415	0.5
143.04968	1.9
145.02887	3.4
149.02370	0.6
151.00307	53.1
152.00610	2.0
157.06581	0.2
161.06026	0.8
163.00394	0.3
164.01102	4.3
165.01900	3.0
166.02600	0.6
167.03453	0.3
169.01393	1.7
171.04410	0.3
175.00327	1.4
177.01895	5.2
178.02325	0.3
181.05020	0.9
185.06061	1.8
185.91693	0.2
187.03889	1.0
193.01372	1.8
196.00125	3.5
197.06049	0.2
198.06868	0.3
199.07565	0.4
201.05554	0.2
203.07103	0.6
205.01416	0.6
217.01353	0.2
219.02940	0.3
223.02391	0.2
227.07137	3.2
229.05115	0.5
233.66061	0.2
235.02518	1.5
241.05023	1.1
253.05017	0.2
269.04590	1.0
270.05389	3.1
271.06171	40.7
272.06509	3.7
283.06076	0.3
295.06186	0.4
313.07199	2.8
314.07767	0.3
325.07205	0.4
339.07159	1.3
343.08246	0.4
373.09247	0.3
399.14572	0.6
411.14731	0.4
417.15817	1.3
433.11447	8.9
434.11957	1.0
459.11700	4.1
460.11942	0.6
475.12384	0.2
569.47766	0.2
579.17291	100.0
580.17627	16.4
621.18237	0.4
651.22290	0.7
741.22479	7.9
742.22845	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	740.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.4
60.01599	0.1
61.98714	100.0
62.98415	0.2
66.15939	0.1
71.01259	0.5
71.52059	0.2
73.02828	0.1
85.02840	0.1
87.00802	0.1
89.02365	0.3
97.02860	0.1
101.02364	0.4
113.02331	0.2
116.92743	0.2
119.03364	0.1
125.02380	0.2
135.04445	0.1
183.13847	0.2
184.14220	0.1
197.11848	0.3
198.12247	0.2
209.11781	0.6
210.12178	0.1
211.13376	1.7
212.13710	0.6
227.12885	0.1
235.08261	0.2
253.09384	0.4
279.23398	0.6
280.23727	0.6
281.24002	0.3
291.19772	0.2
292.20206	0.2
293.21283	0.2
294.21811	0.2
295.22800	0.2
303.95300	0.1
309.20871	0.5
310.21024	0.2
361.16995	0.1
397.13632	0.4
398.13943	0.4
399.13870	0.5
400.14536	0.4
415.14926	0.2
416.15125	0.2
418.15457	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92383	0.1
52.66932	0.1
55.26087	0.1
58.44681	0.1
59.01259	0.3
59.06884	0.1
61.98716	100.0
62.98422	0.1
63.92143	0.1
67.44254	0.1
69.41431	0.6
69.81769	0.1
71.01276	0.1
79.32491	0.1
81.03370	0.1
83.04907	0.4
84.05238	0.1
89.02309	0.1
112.31489	0.1
117.03383	0.2
119.04945	0.2
120.05228	0.1
137.02405	0.1
151.00385	0.1
163.03966	0.1
164.84874	0.1
225.16058	0.1
226.16359	0.2
253.05144	0.1
257.41025	0.1
293.04556	0.3
294.05038	0.3
306.05219	0.1
307.06085	0.1
335.05594	0.3
336.05930	0.3
413.08798	0.2
414.09155	0.2
452.33344	0.1
455.09720	0.2
456.10159	0.4
575.14148	0.2
576.14520	0.6
580.92542	0.1
678.50836	0.3
679.50403	1.0
680.50623	2.0
681.50549	0.1
740.49396	2.2
741.49628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37231	0.2
55.01760	0.7
57.03341	1.2
58.00479	0.3
59.01266	6.1
60.48122	0.2
67.70478	0.2
69.03354	0.5
71.01272	4.9
71.04906	3.4
71.13853	0.7
72.99203	0.4
73.02827	0.9
73.81779	0.2
77.83211	0.2
81.03371	0.3
83.01276	0.5
83.04915	1.0
85.02834	1.1
87.00755	0.6
89.02332	2.9
92.03627	0.3
94.12305	0.3
95.01261	0.5
95.04935	0.6
97.02859	4.1
97.06509	2.2
99.00780	17.9
100.01164	0.3
101.02347	3.2
109.06481	1.5
110.03638	0.7
112.84898	0.2
113.02370	1.6
119.03421	0.6
119.41438	0.2
123.04417	0.3
123.08070	1.8
125.02357	0.3
125.09649	6.7
126.09981	0.3
127.11191	0.6
135.08081	0.7
136.05241	0.6
142.02637	0.8
145.10138	0.4
153.12813	0.8
155.14383	0.7
161.04509	0.5
161.09642	0.4
163.11234	9.2
164.11598	0.5
171.10251	2.1
179.10779	0.4
181.12300	19.9
182.12639	0.7
189.09238	0.4
197.11775	1.0
199.13387	14.0
200.13734	0.8
201.11279	0.5
207.10249	29.1
208.10620	1.8
225.11324	45.1
226.11678	2.7
233.22485	0.3
235.08150	0.5
243.12402	25.4
244.12646	1.6
253.09322	1.4
277.21780	17.6
278.22119	1.0
281.24838	0.5
317.16092	0.8
328.96231	0.3
330.43396	0.3
397.13660	0.5
461.20450	3.0
479.21387	8.6
480.21478	0.7
577.37341	0.6
739.42896	100.0
740.43250	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.1
57.03333	1.0
58.00483	1.4
59.01266	31.0
61.98699	2.0
69.03341	1.5
70.10790	0.6
71.01268	28.6
71.52376	0.9
71.76308	0.6
72.99186	2.6
73.02831	5.1
75.00780	0.7
75.38744	0.5
78.43535	0.6
80.34093	0.7
81.03334	1.1
83.01260	3.4
84.95005	0.9
85.02842	6.6
87.00777	5.5
89.02333	19.9
91.03929	0.9
95.01276	2.7
97.02863	5.6
99.00798	1.0
101.02343	20.0
102.02685	0.7
109.06517	1.2
110.53004	0.6
111.04432	0.9
113.02352	9.1
119.03413	6.2
125.02371	8.9
127.03989	0.6
139.03889	1.0
140.03972	0.6
143.03430	4.2
145.60924	0.7
161.04482	4.5
163.11122	0.9
167.03479	0.7
169.05080	0.8
171.10229	20.9
172.10588	1.0
174.37901	0.7
179.05576	4.6
201.11308	2.8
207.10275	4.3
209.11684	0.7
217.07184	0.9
221.06659	1.5
225.11307	11.8
235.08237	11.8
253.09363	5.5
263.08041	0.7
277.21783	30.8
278.22128	2.5
281.24915	79.5
282.25269	7.1
287.07831	2.7
299.55106	0.6
305.08932	4.2
323.09940	1.2
397.13589	100.0
398.13943	7.9
415.14642	31.1
416.15021	2.5
443.19574	1.1
461.20294	1.4
679.39569	4.5
680.39459	0.8
702.56964	0.8
721.42053	1.7
739.42664	1.1
763.33081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77638	0.4
55.01757	0.9
57.03337	2.1
59.01263	7.6
61.38375	0.3
61.98727	2.5
69.03334	1.2
70.08276	1.2
71.01273	7.7
71.04906	4.1
72.99203	0.4
73.02820	1.7
75.00775	0.3
78.95786	2.0
80.02547	0.5
81.03346	0.6
83.01268	0.7
83.04912	1.1
85.02852	1.8
87.00766	2.3
89.02360	1.9
95.04932	1.5
96.95913	1.8
97.02853	3.4
97.06501	3.8
99.00778	16.9
101.02345	3.8
106.04163	0.3
109.06496	2.1
110.03636	0.6
111.04446	0.4
113.02353	2.1
119.03394	0.5
123.04391	0.4
123.08079	2.0
125.02366	0.4
125.09641	9.2
127.11213	0.4
135.08069	0.6
137.38876	0.3
139.60551	0.4
142.02637	1.3
145.04958	0.4
145.10172	0.4
151.11166	0.5
152.99493	1.2
153.09222	0.4
153.12785	0.7
155.14307	0.6
161.04498	1.3
161.09647	0.7
163.11244	12.0
164.11577	0.8
171.10222	6.8
172.10600	0.5
179.10725	0.9
181.12309	17.2
182.12563	0.7
197.11803	1.2
199.13390	7.4
201.11331	1.2
207.10255	21.6
208.10609	1.2
211.13403	2.6
225.11327	30.4
226.11630	1.8
227.12831	1.5
235.08282	1.3
243.12410	12.1
244.12753	0.5
253.09352	3.1
259.20657	0.5
275.20416	0.4
276.20221	0.4
277.21790	39.5
278.22095	3.4
281.24966	0.4
291.19724	1.4
293.21265	2.0
461.20413	3.0
462.20291	0.4
479.21448	3.5
480.21631	0.5
525.50623	0.4
577.38116	0.4
721.41565	0.8
725.51190	0.4
739.42889	100.0
740.43243	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61992	0.3
57.03315	0.8
59.00996	0.6
59.01263	7.1
60.00061	0.4
60.19589	0.3
61.98707	3.9
65.00178	0.3
69.03331	0.5
69.56741	2.6
71.01273	5.2
71.52600	0.3
72.99193	0.9
73.02826	1.3
75.00735	1.1
80.91850	0.4
83.01273	1.3
85.02840	2.3
87.00749	1.3
88.98692	0.9
89.02332	2.8
93.03355	2.8
95.01281	1.0
95.74652	0.4
96.95891	1.8
97.02818	0.4
98.90733	0.4
99.00784	0.6
101.02344	3.3
108.02058	2.0
109.02829	1.1
111.00781	0.5
113.02367	3.0
113.46378	0.4
115.00253	0.4
117.03373	18.8
118.03645	0.7
119.03391	0.7
119.04905	1.5
121.02859	1.0
123.04449	0.6
125.02368	2.0
133.02887	0.5
134.03670	2.2
135.02893	0.5
135.04440	1.4
137.02374	2.1
143.03453	0.5
145.02904	0.7
147.04411	0.5
149.02350	1.2
149.05974	0.8
150.03084	0.6
151.00291	0.9
152.01138	2.1
153.01814	1.2
160.03949	1.2
161.02377	2.4
161.04462	1.7
163.03900	1.7
163.06053	1.0
164.04678	0.7
167.03458	0.5
173.02377	5.6
175.00354	0.6
175.03926	0.6
177.01862	0.9
177.05492	0.8
179.03328	0.4
179.07083	0.4
185.02412	3.4
186.03223	0.4
187.03967	3.3
188.01155	0.4
189.01901	4.2
189.05434	0.5
190.02483	0.8
193.05051	1.1
197.02365	1.5
201.01857	0.9
203.03406	1.0
203.60928	0.4
205.05009	0.9
215.03459	3.1
217.01395	4.6
223.06071	1.3
223.08073	0.4
227.03493	0.4
235.07716	0.5
237.06052	0.5
237.09700	0.8
241.01408	0.8
242.54623	0.4
249.05814	0.5
251.28955	0.3
261.05560	0.8
263.07251	1.0
265.05106	0.4
265.09259	0.6
269.04355	0.6
271.02750	0.5
277.04855	0.6
279.06567	0.4
282.05161	0.5
283.06219	0.5
284.03409	0.7
285.04077	1.4
289.05072	0.5
291.07095	0.5
293.04575	2.2
294.05048	0.6
295.06454	0.4
297.07980	1.0
299.08786	0.6
305.04593	7.4
305.08319	0.7
306.05350	5.7
307.06189	10.6
307.09784	0.6
308.06595	0.9
311.05286	0.4
315.07224	1.1
316.07938	0.4
316.65396	0.4
317.04486	1.0
321.04233	0.4
335.05695	23.4
336.05917	2.2
338.04453	0.6
347.05545	0.5
349.07138	0.4
353.06638	1.6
365.06729	7.7
366.07028	0.9
383.07446	0.9
407.07953	0.9
425.08856	100.0
426.09171	12.7
455.09882	9.7
455.18906	1.9
456.10294	1.2
533.16425	0.5
545.13129	91.0
546.13464	15.3
563.14001	3.0
564.14502	0.6
679.33038	0.6
739.20673	1.5
739.32367	1.2
740.20728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.19
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.4
59.01263	4.1
61.30937	0.4
61.98718	5.8
65.00225	0.4
67.13499	0.4
69.26196	4.1
71.01255	2.7
73.02827	0.6
79.23666	0.4
83.01269	1.3
83.24812	0.4
85.02830	0.7
87.00794	0.6
88.98712	0.7
89.02310	0.9
89.03840	0.7
93.03365	3.9
95.01289	0.5
96.95901	1.5
99.00748	0.5
101.02341	1.9
107.01319	0.7
108.02058	0.8
109.02868	0.7
113.02361	1.2
117.03374	20.9
118.03706	1.3
119.04958	2.8
121.02796	0.6
123.04430	0.8
125.02345	1.5
132.35387	0.5
133.02878	0.4
134.03667	6.5
135.04527	0.8
137.02365	1.0
145.02888	1.2
149.02376	1.5
149.06033	0.7
151.00284	3.1
151.03926	0.5
152.01038	1.1
153.01877	0.4
159.04395	0.9
160.01732	0.5
160.03966	2.2
161.02428	2.7
161.04469	1.0
161.05923	0.5
162.73544	0.4
163.03937	1.6
165.05533	0.6
169.97458	0.4
171.04381	0.7
173.02403	8.5
175.00330	0.4
175.03893	0.8
177.01912	0.8
177.05534	1.2
185.02408	3.4
187.03984	3.8
188.01149	0.5
189.01932	3.6
190.02660	0.6
191.03516	0.6
193.05060	2.6
197.02431	4.0
199.03903	0.6
201.01909	0.7
203.03508	1.1
215.03506	6.4
216.03841	0.5
217.01454	4.1
223.05885	0.5
227.03557	0.8
235.07520	0.6
237.09810	0.7
241.01457	5.5
261.05487	0.6
263.07129	1.1
265.09180	0.5
269.04596	0.8
271.02878	0.6
271.06137	5.0
279.06732	0.6
283.06113	1.1
293.04575	1.9
295.06149	0.5
297.07788	1.1
305.04617	7.4
306.05350	5.4
307.06165	10.7
308.06729	0.7
309.07788	0.6
311.05835	0.6
317.04697	1.0
331.04788	0.6
335.05679	33.3
336.06006	3.7
338.04324	1.5
347.05814	0.5
353.06583	2.0
365.06732	8.2
366.07181	1.2
377.06812	0.7
383.07849	1.4
425.08865	85.8
426.09198	10.4
433.10992	0.6
455.09796	2.2
456.10834	0.5
501.10696	0.6
515.11938	3.8
516.12457	0.9
545.13129	100.0
546.13501	14.5
563.14124	5.6
564.14520	1.0
649.15778	0.6
656.35919	0.5
739.18774	5.4
739.31964	0.8
740.19043	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	739.19
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	2.5
61.98716	3.7
64.22996	0.2
65.00214	0.2
69.44205	1.9
71.01270	1.9
73.02824	0.5
75.00753	0.3
83.01290	0.2
85.01858	0.2
85.02848	0.6
87.00775	0.4
89.02333	0.6
93.03362	2.0
95.01265	0.4
96.95934	0.5
98.19797	0.4
99.00780	0.4
101.02364	1.2
103.96920	0.2
113.02367	0.9
117.03380	13.2
118.03719	0.5
119.04935	0.9
121.02872	0.3
125.02372	0.3
133.02875	0.2
134.03662	4.8
135.04451	0.5
137.02376	0.5
145.02902	0.9
147.04471	0.2
149.02377	0.5
149.05983	0.4
151.00304	0.5
159.04489	0.3
161.02385	1.8
161.04501	0.6
161.05841	0.2
163.03926	1.0
171.04472	0.4
173.02386	6.0
174.02815	0.3
175.02524	0.3
175.03973	0.6
177.01877	0.5
177.05489	0.5
179.07234	0.2
185.02435	1.8
187.03984	2.2
188.01012	0.3
189.01913	2.6
190.02458	0.3
191.03481	0.3
193.05017	1.8
193.08846	0.2
197.02397	2.1
201.01930	0.4
201.54164	0.2
203.03516	1.0
215.03517	4.0
217.01407	2.9
227.03496	0.5
229.01300	0.3
235.07675	0.3
237.09760	0.7
241.01430	1.8
242.01852	0.2
245.04599	0.5
253.05182	0.3
257.04642	0.3
261.05606	0.6
263.07162	0.7
271.02588	0.7
271.06067	0.4
277.05188	0.3
279.06781	0.5
281.04660	0.4
282.05222	0.2
283.02884	0.3
283.06207	0.5
291.06769	0.3
293.04630	1.1
295.06186	0.5
297.07770	0.4
305.04620	4.7
305.08667	0.7
306.05405	4.7
306.08990	0.5
307.06174	6.9
308.06610	0.6
309.07755	0.5
311.05719	0.6
317.04755	0.4
319.06216	0.3
321.04089	0.2
322.08347	0.2
323.05737	1.1
323.09039	0.3
325.07385	0.3
331.04645	0.4
334.04840	0.3
335.05682	26.9
336.05984	2.7
337.07291	0.6
338.04425	0.9
339.05093	0.4
341.06995	0.3
347.05597	0.3
349.07349	0.3
353.06897	1.3
354.07419	0.2
363.05304	0.3
365.06747	5.2
366.07104	0.7
377.06696	0.9
383.07828	0.7
389.06357	0.3
395.07755	1.5
396.08160	0.4
396.93280	0.2
407.07410	0.5
425.08871	22.6
426.09125	3.0
437.08594	0.4
439.20026	0.5
440.20163	0.5
441.20636	0.5
455.09933	28.1
456.10233	4.3
485.11224	0.5
540.65759	0.2
545.13141	100.0
546.13501	14.8
563.14252	3.9
564.14746	0.4
678.50757	0.3
686.77087	0.2
739.18597	2.8
739.30304	0.3
740.19568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75510	0.2
57.03350	0.3
59.01263	2.9
61.98724	1.3
62.92105	0.2
65.00198	0.3
66.59830	0.2
71.01267	1.6
72.99184	0.6
73.02840	0.5
83.01273	0.7
83.04950	0.2
85.02831	0.7
87.00763	0.4
88.98681	0.5
89.02345	0.8
92.68037	0.2
93.03355	2.7
96.95897	0.2
99.00784	0.8
101.02341	0.9
108.02090	0.2
109.02861	0.8
113.02354	0.8
113.99482	0.8
117.03373	18.3
118.03697	0.7
119.03438	0.3
119.04913	1.4
121.02880	0.5
123.04398	0.2
125.02377	0.6
127.00186	0.2
129.01920	0.3
133.02904	0.3
134.03688	1.9
135.04434	1.5
137.02371	1.6
138.05573	0.2
145.02908	2.1
149.02338	0.9
149.05972	0.4
151.00304	0.8
152.01030	0.4
156.00572	0.5
159.04390	0.4
160.03984	0.9
161.02374	1.7
161.04413	0.6
163.03903	1.2
165.05563	0.3
166.02510	0.4
171.04517	0.3
173.02393	6.0
174.01617	0.7
175.00421	0.3
175.03972	0.5
177.01875	0.3
177.05482	0.8
179.03416	0.3
179.07138	0.4
181.05013	0.4
185.02415	3.6
187.03978	3.0
188.01035	0.4
189.01907	3.5
189.05637	0.3
190.02490	0.5
191.03421	0.3
193.05008	0.9
197.02434	1.5
201.01999	0.3
203.03465	1.6
205.05022	0.7
207.08058	0.3
209.08220	0.3
213.01956	0.3
215.03513	3.5
217.01427	3.1
220.05330	0.2
223.06053	0.5
227.03511	0.8
235.07718	0.4
241.01480	0.8
243.03107	0.4
245.04601	0.3
249.07787	0.5
251.07158	0.3
251.09366	0.3
257.04602	0.3
261.05569	0.6
262.06268	0.4
263.07184	0.9
267.03152	0.4
267.06470	0.2
268.03757	0.9
269.04605	9.3
270.04797	0.6
271.02527	0.8
271.06183	0.6
278.05630	0.4
279.06836	0.4
283.06058	0.4
285.11359	0.9
291.06561	0.4
293.04620	1.3
295.06119	0.3
297.07755	0.4
305.04623	7.1
306.02106	0.4
306.05365	5.7
307.06149	9.6
308.06537	0.6
309.07813	0.3
311.05612	0.4
317.04590	1.0
323.05783	0.6
333.04163	0.4
335.05670	22.4
336.05981	2.8
338.04559	1.1
347.05612	0.4
353.06647	1.0
365.06717	10.2
365.11264	0.5
366.07144	1.1
377.06860	0.5
383.07928	1.0
389.06274	0.4
407.07617	0.4
425.08850	100.0
426.09192	12.4
431.10181	0.4
433.11456	0.4
455.09830	0.7
475.12750	0.4
477.17813	0.3
515.12323	0.4
517.18060	0.3
533.16571	1.2
545.13116	84.2
546.13458	12.0
563.14160	3.6
564.14551	0.4
667.84052	0.3
679.22144	0.3
739.20837	3.5
739.32147	0.8
740.21057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09357	0.1
55.58999	0.1
59.01261	1.0
61.98719	100.0
62.98423	0.2
71.01274	0.7
71.55065	0.1
71.55540	0.1
72.01615	0.1
83.04941	0.2
85.02872	0.1
87.00783	0.2
88.35287	0.1
89.02349	0.5
97.02847	0.1
101.02341	0.4
102.02679	0.1
113.02370	0.2
116.72858	0.1
119.03403	0.1
124.77801	0.1
131.06815	0.1
137.79024	0.1
143.03430	0.1
161.04515	0.1
163.43839	0.1
165.12839	0.1
166.06262	0.1
171.10263	0.3
171.63564	0.1
174.39769	0.1
180.06027	0.1
195.13904	0.1
209.11821	5.6
211.13417	0.6
227.12933	0.6
235.08336	0.2
242.01227	0.1
253.09270	0.6
275.20306	0.7
277.21872	0.5
278.22107	0.5
279.22574	0.3
280.22827	0.1
291.19882	0.1
293.21298	2.2
293.24454	0.1
309.21051	0.2
342.12051	0.1
397.13696	0.4
398.14090	0.5
399.14200	0.8
400.14554	0.3
416.15076	0.2
417.15277	0.2
418.15561	0.2
445.21051	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.6
60.01613	0.1
61.01708	0.1
61.98716	100.0
62.98421	0.2
62.99138	0.1
65.89311	0.0
70.67854	0.1
70.68195	0.1
71.01277	0.5
72.01612	0.1
72.99190	0.0
73.02834	0.1
85.02881	0.1
87.00779	0.1
89.02332	0.4
90.02657	0.1
97.02895	0.1
101.02354	0.4
102.02690	0.1
106.79431	0.0
113.02376	0.2
119.03458	0.1
125.02372	0.1
126.02716	0.1
127.02895	0.0
129.13298	0.0
143.03505	0.1
180.28065	0.0
181.00610	0.0
209.11790	0.1
211.25377	0.0
219.52194	0.0
221.06723	0.1
235.08278	0.1
236.08672	0.1
277.21753	0.6
278.22134	0.6
279.22394	0.3
280.22656	0.1
397.13675	0.4
398.13907	0.5
399.14078	0.7
400.14352	0.4
400.66248	0.0
415.14706	0.1
416.15198	0.2
417.15268	0.2
418.15878	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02854	0.2
59.01264	21.6
60.01601	0.2
61.98700	0.6
71.01237	0.2
81.03349	7.3
81.03833	0.4
82.03654	0.2
83.04916	19.9
84.05221	0.4
86.57054	0.2
100.07568	0.4
104.44769	0.2
107.06055	0.3
108.04450	0.7
125.07127	1.3
126.05566	0.4
133.02855	0.2
143.08171	0.7
157.13426	0.2
182.62579	0.2
199.18170	0.2
203.41942	0.2
207.15021	1.4
217.05173	0.3
224.17699	3.0
225.16084	15.8
226.16451	1.1
237.68948	0.2
242.18727	0.6
269.04697	0.3
285.04156	1.1
290.22568	0.3
309.21945	1.0
324.26657	0.3
333.23016	0.7
341.29288	1.0
350.68594	0.2
367.27176	1.7
383.29990	0.2
385.28314	0.3
433.31863	1.8
434.32144	0.3
450.34900	1.1
450.40588	0.3
451.32983	9.4
452.33215	1.4
468.35153	0.2
476.32321	0.3
535.38928	0.4
550.43762	1.1
559.39337	0.4
565.44873	0.3
593.44061	0.7
659.48828	2.3
660.49030	0.5
677.49835	100.0
678.50140	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
56.21642	0.4
57.03337	1.2
59.00993	0.7
59.01267	7.5
61.98720	5.4
63.93480	0.4
69.03349	4.5
70.09594	2.1
71.01271	5.7
71.04912	1.8
72.32295	0.4
72.99209	0.5
73.02836	0.9
81.03332	0.5
83.01263	0.6
84.05738	0.4
85.02861	1.5
87.00767	1.0
89.02330	2.2
95.01283	0.5
97.02866	0.5
97.06499	0.6
98.25018	0.4
101.02354	3.7
106.01829	0.4
111.04407	0.5
113.02333	1.9
119.03414	0.7
123.08096	1.4
125.09692	2.1
126.87363	0.4
145.05070	0.5
149.09714	0.5
151.11223	3.1
152.99535	0.4
153.12814	0.7
153.69965	0.4
161.04454	1.1
161.09685	4.3
164.47144	0.4
179.10751	8.7
193.82632	0.4
197.11813	45.1
198.12143	2.8
223.09749	1.1
223.96555	0.5
233.22684	0.5
235.08310	0.7
241.10878	1.9
253.09315	2.6
259.20773	0.6
277.21786	57.4
278.22134	5.5
325.88202	0.5
390.81140	0.5
459.19034	1.0
477.19754	1.4
575.35248	0.5
737.41333	100.0
738.41724	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	737.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83760	0.5
55.01770	0.6
57.03323	1.1
58.00483	0.8
59.01265	34.2
61.98713	6.3
66.86486	0.5
69.23456	3.3
69.23894	2.0
71.01270	15.8
71.04920	0.8
71.50473	0.5
72.99194	0.8
73.02840	6.0
75.00752	0.7
79.95661	0.8
83.01266	2.9
85.02835	6.3
87.00774	1.9
88.98769	0.5
89.02344	5.1
95.01281	1.2
96.95913	20.7
99.00761	1.6
101.02341	11.2
107.01415	0.6
109.02827	0.8
111.56309	0.5
112.03966	1.7
113.02353	7.8
119.03404	2.0
119.04926	0.8
124.03950	0.8
125.02377	1.5
131.05025	0.5
133.04988	1.3
137.05956	0.7
143.03448	1.2
149.05948	0.8
151.00304	0.7
159.02925	0.7
161.04520	2.1
165.05605	1.0
166.05043	18.8
166.06442	0.9
184.06152	2.1
193.05014	0.5
208.06148	1.0
265.18124	13.3
266.18466	1.0
267.19717	11.4
276.29910	0.6
306.32874	0.6
328.10358	2.7
378.11200	0.7
379.11990	0.7
394.10754	1.6
395.11407	0.8
409.12949	4.1
427.23773	0.7
445.36752	1.0
526.76874	0.6
551.04614	0.5
625.97119	0.6
633.39722	0.9
651.41254	2.2
677.26050	1.3
682.28784	0.6
693.42358	100.0
694.42664	20.4
700.09729	0.6
737.28979	2.4
737.41394	1.0
738.24670	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	737.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03335	0.6
58.00470	1.7
59.01268	41.1
61.98701	1.6
69.03344	1.4
70.99986	1.3
71.00346	0.9
71.01272	29.9
72.12048	0.6
72.99197	2.3
73.02830	4.7
75.00771	0.8
78.95792	0.9
81.03352	1.7
83.01287	3.4
85.02841	6.8
87.00772	7.6
89.02338	24.7
91.03922	0.5
93.88988	0.6
95.01287	1.7
97.02856	5.6
99.00780	1.9
101.02345	25.8
102.02692	0.7
111.04438	0.9
113.02371	11.3
114.02673	0.6
116.72845	0.6
119.03431	6.3
121.02878	1.0
125.02373	9.5
127.03915	0.7
131.03392	1.4
133.05003	0.9
139.04013	0.7
141.01633	11.1
143.03403	3.3
149.04440	0.8
152.28343	0.6
161.04500	4.4
167.03377	0.8
167.31374	0.8
179.05559	5.3
215.04614	0.6
221.06596	1.7
223.02051	0.9
235.08246	9.5
253.09319	2.1
256.35477	0.7
263.07626	1.2
277.09229	0.6
279.23349	88.4
280.23709	9.3
287.07806	2.3
305.08856	4.0
323.09772	0.9
363.85513	0.7
370.08029	0.7
397.13596	100.0
398.13904	7.8
415.14682	32.4
416.14902	2.1
677.37378	3.8
678.38196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03329	0.9
59.01264	7.0
61.98725	1.6
62.89225	0.3
69.03343	3.1
69.83230	1.9
71.01270	5.0
71.04908	2.1
73.02837	1.1
83.01287	0.5
83.04943	0.5
85.02845	1.4
85.65414	0.3
87.00771	0.9
89.02337	2.6
90.73745	0.3
95.01277	0.4
97.02876	0.4
97.06474	0.6
101.02354	3.8
102.65964	0.3
110.29727	0.3
111.04451	0.5
113.02355	1.3
115.89326	0.3
119.03402	0.4
121.06436	0.4
123.08086	1.1
125.09662	2.2
137.09683	0.4
151.11200	2.1
153.12784	1.2
161.04527	1.0
161.09694	2.4
161.73615	0.3
169.12279	1.1
179.05603	0.5
179.10754	6.1
182.01715	0.3
197.11812	82.2
198.12161	4.1
205.08740	0.6
207.10298	0.3
223.09737	2.0
235.08261	0.6
241.10812	4.1
242.11169	0.4
253.09323	2.8
275.19983	0.4
277.21790	26.8
278.22147	2.4
284.68130	0.3
326.74371	0.3
459.18677	0.9
477.19806	1.9
719.40942	0.4
737.41321	100.0
738.41675	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	735.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01611	1.0
61.98716	1.0
69.03342	0.4
71.01279	0.5
71.53410	0.8
82.70325	0.3
83.04972	0.5
89.02350	0.8
91.03896	6.1
106.14754	0.4
179.14342	0.8
195.13876	2.6
221.15434	2.4
223.13426	1.1
239.16730	0.5
273.18842	0.4
277.21866	1.1
291.19705	8.9
292.20166	1.0
309.20776	44.6
310.21091	4.8
365.24228	0.4
430.46680	0.4
601.41254	2.7
602.41968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.5
58.00470	2.1
59.01008	1.8
59.01266	25.5
61.98731	8.6
63.41544	1.5
67.09854	1.5
69.41438	7.8
69.41867	5.3
70.37756	1.4
71.01262	16.5
72.99187	5.6
75.00765	18.2
83.01243	2.0
83.04876	1.9
84.02051	1.9
85.02848	18.5
87.00774	5.3
89.02336	4.0
95.01269	2.9
98.19803	3.3
99.00765	13.6
113.02361	18.2
115.00273	3.0
117.01846	2.7
119.15987	1.5
125.09579	2.2
127.11195	1.5
171.10242	2.0
201.11252	15.3
209.11804	19.3
249.06235	2.1
255.23335	80.6
256.23715	9.4
274.41464	1.8
689.41425	7.1
690.41382	2.3
715.42896	40.8
716.43420	11.2
733.43921	100.0
734.44397	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
58.03300	0.3
59.01250	0.9
65.79584	0.3
69.32594	0.7
69.33002	2.4
83.46727	0.3
89.11143	0.3
90.43671	0.3
125.02357	2.2
131.16698	0.3
134.43336	0.3
187.06624	0.3
223.80748	0.3
277.21729	3.8
278.22150	0.8
288.76984	0.3
313.97083	0.4
354.61551	0.4
407.33221	1.2
455.35388	100.0
456.35739	14.3
490.44299	0.3
733.40363	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	735.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.2
59.01266	3.0
60.47584	0.2
61.98716	4.9
69.26405	2.0
71.01282	1.3
73.02846	0.8
79.21300	0.2
81.03380	0.2
83.01290	0.5
85.02847	0.7
87.00774	0.3
89.02362	0.7
96.95921	0.4
101.02348	1.1
109.02901	0.4
113.02361	0.5
114.01874	0.3
117.05519	0.5
119.01270	0.3
119.04967	0.3
121.02885	0.6
123.04406	0.2
125.02363	3.7
133.02896	0.8
134.03693	0.3
135.04411	0.4
137.02313	0.3
145.02925	0.2
147.04433	0.2
148.01540	0.3
149.02370	0.8
151.00281	0.6
161.02379	0.3
161.04501	0.3
163.03952	0.4
164.04733	0.5
185.06114	0.2
190.02654	0.4
193.08624	0.3
201.01872	0.3
205.05064	0.4
209.11807	0.3
210.06934	0.2
215.03453	0.4
217.08823	0.2
223.06131	0.8
245.04665	0.3
253.05127	0.2
254.05818	0.4
261.07739	0.4
265.05280	0.3
271.06174	0.3
281.04742	0.4
282.05371	0.4
293.04379	0.3
294.05231	0.3
295.06238	0.4
296.06964	0.4
307.06100	0.9
309.04224	0.4
311.05664	0.4
312.06470	0.5
313.07111	0.2
314.04425	0.5
319.06171	0.6
323.05899	1.3
324.06207	0.4
325.07327	0.5
334.08429	0.3
335.05582	1.2
336.06165	0.3
337.07153	1.4
337.10898	3.8
340.05750	0.4
344.05469	0.5
349.07211	0.6
349.10886	8.5
350.11343	0.7
351.08850	0.4
351.12405	1.6
352.05829	0.4
353.06802	0.7
355.08279	0.9
356.05307	0.5
363.12393	2.1
363.16559	0.3
365.06818	0.4
365.10400	1.3
366.11166	0.5
367.08228	2.0
367.11972	21.8
368.12268	2.2
375.12469	0.3
377.10413	1.4
378.10989	0.6
379.11896	4.2
380.12659	2.3
381.13525	6.6
382.13855	0.9
391.11960	5.0
392.12476	1.6
393.13623	1.4
395.11414	29.5
396.12103	8.6
397.12805	1.0
409.13004	21.1
410.13730	17.2
411.14508	8.6
412.14948	0.6
451.57468	0.2
453.15411	0.3
555.18768	0.4
573.19598	0.6
578.44354	0.2
667.39032	0.3
691.39838	0.7
735.25189	100.0
736.25549	15.3
736.38885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
57.03335	3.9
59.01262	22.1
61.98716	7.9
62.51427	0.6
64.56335	0.6
69.03313	1.0
69.30009	6.7
71.01270	12.7
71.04905	0.7
72.99194	1.5
73.02840	3.6
75.00728	0.6
79.05434	0.6
79.16888	0.7
80.17212	0.7
83.01276	1.9
83.04904	1.2
85.02825	5.7
87.00755	1.7
88.98687	1.5
89.02324	3.5
93.03354	1.6
93.07008	1.0
95.01279	1.2
95.04928	1.2
96.95920	1.7
97.02848	6.6
97.06448	0.8
99.00768	2.2
99.04401	1.6
99.92516	0.7
101.02342	7.1
105.07006	1.0
107.04893	1.6
108.02127	0.8
108.05732	3.7
109.02855	3.6
109.06464	1.7
111.04408	5.5
111.08064	1.0
113.02359	4.9
113.05989	5.8
116.92764	0.9
119.03399	0.9
119.04900	2.1
119.08567	1.8
121.06486	1.9
122.03667	4.6
123.04423	1.2
123.08080	3.6
124.87653	0.6
125.02328	2.4
125.06007	6.0
125.09663	1.1
135.04404	0.7
135.08073	1.6
136.05228	5.8
137.02361	1.2
137.05975	4.0
138.03072	0.6
138.06792	9.0
139.03926	0.7
139.07581	17.9
143.03387	1.3
145.02922	0.8
148.05220	3.5
149.05978	2.3
151.00302	1.4
151.03975	1.3
151.07585	38.7
152.04755	4.6
152.08362	17.3
153.09152	7.6
159.11716	0.8
160.03958	3.2
161.04446	4.6
161.09650	2.8
163.03963	1.8
163.07588	4.3
163.11330	0.7
164.04710	0.7
165.05453	1.7
166.02710	0.8
167.07040	2.5
171.07967	0.9
177.09190	0.8
178.06281	0.7
185.09673	2.4
186.10460	1.7
188.08508	0.8
189.09161	1.9
201.12833	17.0
202.13116	1.1
203.10765	7.1
204.11540	28.2
205.11942	1.8
219.13896	53.3
220.14189	3.2
247.09723	2.3
263.12915	100.0
264.13333	7.5
269.10361	5.1
297.07910	0.8
309.03784	0.7
313.07248	1.6
325.07217	1.4
337.06992	0.9
341.06726	1.9
349.05917	0.7
355.08163	3.4
355.36371	0.7
356.08740	1.6
367.11569	0.8
401.14548	4.0
411.11008	1.4
427.14374	1.2
443.15652	45.6
444.15808	4.4
462.42047	0.7
629.38062	0.7
631.18475	0.9
673.37787	1.0
689.27820	2.8
689.39923	2.7
733.26941	14.2
733.39789	0.9
734.26929	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	733.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28789	0.6
55.01791	1.5
57.03333	2.5
58.00480	1.5
59.01266	41.7
60.01615	0.8
61.98712	11.5
69.03346	2.1
70.47733	0.6
71.01273	37.6
71.55473	1.4
72.99198	3.5
73.02831	4.8
78.95798	1.6
81.03353	1.6
83.01290	3.8
85.02844	6.0
87.00777	6.8
87.22550	0.7
89.02340	30.9
95.01292	2.6
96.95908	1.3
97.02866	4.7
99.00774	1.7
99.04442	1.2
101.02348	26.0
103.03954	0.9
109.02892	0.8
111.00762	1.1
111.04443	1.3
113.02361	13.6
115.03938	0.9
119.03415	8.0
121.02888	0.8
125.02374	11.8
131.03439	1.5
133.04965	1.3
141.01776	1.1
142.10150	0.8
143.03416	4.6
149.04530	1.0
161.04514	5.7
167.03484	0.8
179.05553	5.5
182.61963	0.7
182.77071	0.8
183.13872	1.1
207.10251	1.5
209.11879	1.6
211.13408	10.0
221.06746	2.0
225.11487	1.0
227.13028	1.1
231.21237	2.2
235.08260	11.8
253.09325	4.1
275.20221	55.4
276.20566	4.0
277.09238	1.1
287.07855	3.1
305.08884	4.5
323.09827	1.2
363.08807	1.5
364.09390	1.9
379.12469	1.0
397.13608	100.0
398.13940	6.9
415.14667	37.9
416.15021	2.7
549.03894	0.7
673.34784	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	733.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	39.5
59.01265	17.9
61.98421	1.2
61.98715	14.3
65.00204	1.6
68.99679	0.6
71.01269	9.4
71.23400	1.4
71.88741	0.7
72.01607	0.8
72.99189	2.0
73.02827	2.8
75.00758	1.1
81.03333	1.7
83.01273	2.9
83.04916	0.9
85.02863	4.6
85.03275	0.8
87.00762	2.9
88.98683	2.9
89.02335	4.7
93.03410	1.4
95.01304	1.2
96.95932	3.6
97.06497	0.7
98.14333	0.7
99.00803	1.2
99.04408	5.2
101.02352	7.3
107.01260	0.9
107.04916	1.2
108.02065	2.9
109.02845	3.0
113.02338	3.9
116.92773	1.6
117.03356	0.7
117.96140	0.7
119.03391	1.5
119.04932	3.0
121.02886	2.3
123.04411	1.7
125.02374	8.7
126.02715	0.9
131.07066	1.0
133.02823	1.2
134.03641	2.2
135.04405	2.2
136.01587	1.1
137.02341	3.0
145.02859	0.8
148.01591	3.2
149.02391	1.1
149.06030	1.5
150.03130	2.9
151.00299	2.7
151.03926	1.3
151.07574	2.3
152.01068	3.2
153.01904	1.8
153.05528	0.9
161.02380	2.1
161.04475	2.0
162.99139	0.6
163.03928	2.6
164.04689	1.1
165.04123	1.3
165.05531	22.2
165.47534	0.8
166.05890	1.0
167.03455	1.2
168.00613	1.2
175.03973	2.1
177.01863	2.1
179.03496	1.0
179.05682	0.7
181.04990	1.1
181.07497	0.7
190.02715	0.9
191.03468	1.9
193.05046	1.5
199.07716	0.9
202.02554	1.1
205.05003	1.0
207.02995	1.3
209.11804	0.7
217.08629	2.9
235.09808	8.6
239.07159	1.0
241.04999	0.8
253.05058	1.6
255.06700	1.1
265.04947	1.0
266.05893	1.7
267.06671	1.1
268.07419	0.9
269.04565	2.6
269.08105	0.9
270.04950	1.2
271.05969	2.2
279.06180	0.9
281.04532	1.9
282.05341	1.4
283.06088	4.8
284.06754	1.2
285.04144	0.7
285.07465	0.8
287.05704	1.0
293.04623	0.9
293.12479	1.2
294.05273	1.5
295.06244	8.5
296.06860	2.0
297.04202	1.3
297.07657	5.2
299.05865	5.8
307.05981	0.9
308.06802	1.1
309.04099	3.3
309.07538	1.6
310.04770	1.5
311.05676	3.8
312.06436	5.1
313.07227	16.9
314.07779	1.7
315.07123	1.5
315.12250	0.8
323.05548	4.3
324.06375	3.5
325.07150	6.8
326.07974	2.5
327.05081	6.7
327.08798	4.3
337.07135	5.2
338.07813	1.3
339.08667	1.9
340.05902	8.7
341.02640	1.1
341.06714	15.2
342.07437	6.9
343.07755	1.1
344.05231	1.1
355.08292	28.8
356.08963	11.4
357.09601	3.0
365.10483	0.9
367.08273	1.9
372.04932	2.3
379.11938	1.4
383.11417	5.6
395.11450	1.2
409.13904	1.3
411.10986	8.6
412.11688	49.3
413.12000	5.9
425.12476	3.0
426.13382	5.3
427.14029	78.4
428.14407	9.6
453.13821	1.1
519.14923	1.4
561.16089	3.9
589.19373	31.6
590.19751	6.7
592.14093	0.8
631.20447	44.1
632.20410	7.6
671.23547	5.6
671.39160	1.2
672.23438	1.0
673.21490	1.2
673.37830	1.5
712.67365	1.0
733.23535	100.0
734.23834	23.5
734.36743	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	733.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.9
57.03338	28.5
59.01262	12.4
60.99197	0.7
61.98427	1.0
61.98721	13.4
69.03330	0.8
71.01266	9.6
71.31177	1.1
71.31523	1.0
72.49215	0.9
72.99174	1.3
73.02829	2.7
75.00777	1.0
80.96218	0.8
81.03349	1.4
83.01263	3.5
83.04901	0.9
85.02834	4.8
87.00763	2.0
88.98692	2.7
89.02348	4.8
92.90120	0.9
93.03368	1.6
95.01250	1.1
96.95907	3.2
99.00748	1.8
99.04411	5.6
101.02349	10.0
108.02053	2.6
109.02850	2.1
111.00790	1.6
111.04372	0.9
113.02393	4.2
116.92767	1.8
119.03436	1.1
119.04906	3.6
121.02859	1.8
123.00787	0.9
123.04456	1.7
125.02373	8.4
128.03387	1.0
131.07030	0.9
133.02974	1.3
134.03598	1.5
135.02911	0.9
135.04413	2.7
137.02348	2.3
139.03938	1.0
145.02908	1.7
147.04396	1.4
147.50627	0.8
148.01572	1.6
149.02324	1.8
149.05931	1.5
150.03149	2.4
151.00348	5.3
151.03947	2.0
151.07523	1.7
152.01059	3.6
153.01860	1.9
153.05550	0.9
160.01607	1.1
160.03995	1.0
161.02324	2.3
161.04402	1.4
163.03917	1.8
163.07559	1.1
165.05516	19.7
167.03421	1.1
168.00566	1.2
175.03963	1.3
176.04826	0.9
177.01877	1.6
177.05357	1.0
181.05011	1.4
190.02603	0.9
191.03418	1.9
193.04965	1.8
195.06679	1.1
203.03436	1.4
205.05029	1.4
207.02878	1.5
208.03560	0.8
217.08672	2.4
227.12665	0.9
235.09734	4.8
238.06328	0.9
239.07138	1.3
251.07243	1.5
253.05008	0.9
254.05717	1.7
255.06583	1.0
261.07495	1.1
263.46710	0.8
266.05692	1.2
267.06613	2.9
269.04599	4.1
270.05170	1.1
271.06210	1.0
280.07593	1.0
281.04794	1.6
282.05389	1.3
283.06064	5.1
284.03491	1.0
284.06812	1.0
284.71976	1.0
287.05685	1.6
293.04666	1.0
293.12469	2.2
294.05453	1.2
295.06213	6.0
296.06732	1.9
297.04572	1.1
297.07648	4.2
299.05615	6.8
307.06046	1.5
309.04071	2.1
309.07687	2.2
310.04874	1.7
311.05536	3.2
312.06485	4.1
313.07266	16.9
314.07483	1.2
315.07303	1.5
323.05640	3.4
324.06412	2.6
325.07187	6.7
326.07883	3.2
327.05081	5.9
327.08780	4.6
337.07184	5.3
338.07797	1.2
338.11679	0.9
339.08658	0.9
340.05862	8.4
341.06693	14.2
342.07458	4.6
353.06677	1.2
355.08298	25.0
356.08957	9.9
357.09543	2.9
365.10294	2.4
372.04977	2.3
383.11432	4.4
393.10129	1.0
394.10516	2.4
397.12799	1.7
407.11276	1.5
408.12247	1.0
409.13382	1.9
411.10776	9.3
412.11673	43.9
413.12024	5.3
425.12534	2.6
426.13251	5.4
427.14044	74.6
428.14334	8.6
453.14319	1.3
519.15149	1.6
561.15613	1.9
571.19159	1.4
589.19348	32.3
590.19714	5.3
613.19476	1.2
631.20410	43.1
632.20703	5.8
670.38757	1.0
671.23938	5.2
671.37976	1.0
673.37933	2.4
689.38513	1.8
733.23535	100.0
734.23767	20.6
734.36603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46759	0.5
57.03332	1.0
59.01262	4.2
61.98723	1.1
62.96275	1.1
63.02296	1.0
65.00210	5.0
65.73662	0.5
71.01266	5.4
71.51905	0.8
73.02822	1.1
78.95795	100.0
82.41379	0.5
83.01283	5.2
85.02827	1.4
87.00761	2.1
89.02352	1.8
93.03356	3.9
95.01250	0.6
96.95923	4.6
96.96859	9.4
97.02838	0.9
99.00778	0.6
101.02332	3.4
105.92374	0.5
107.01300	7.3
107.04806	0.6
108.02079	1.5
109.02873	1.7
111.00782	0.8
113.02350	1.6
117.03379	0.8
119.04943	18.0
120.05298	1.0
120.96893	1.1
121.02869	0.6
123.04406	1.2
125.02371	5.5
135.04457	0.5
137.02370	2.1
142.56694	0.5
143.04915	0.8
145.02864	1.5
149.02385	1.1
150.03114	0.7
150.97906	1.1
151.00308	35.0
152.00919	1.8
152.99524	68.4
153.01779	1.7
153.99852	1.4
161.02386	1.2
161.04494	0.9
161.06023	1.3
162.97981	1.3
165.01920	1.5
167.03452	1.5
169.01294	1.0
171.00597	11.6
175.00310	0.6
177.01910	3.1
185.06041	1.4
187.03949	1.3
193.01375	1.4
205.04883	0.6
207.00620	8.4
223.06288	0.5
225.01698	3.1
227.07011	1.3
254.06520	0.6
267.02954	0.8
271.06192	30.1
272.06491	2.2
281.04480	1.1
283.06116	0.8
298.04727	0.6
299.05490	1.5
313.07297	2.6
315.07278	0.8
343.08347	2.7
369.06171	3.3
387.06924	2.1
414.16116	0.6
449.46240	0.5
455.10129	1.4
461.10678	8.0
505.13394	1.5
523.16406	0.6
545.13037	0.7
575.13849	1.1
578.13306	0.6
579.17395	2.7
641.12994	3.0
733.17590	97.1
734.17975	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2592
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
59.01264	100.0
60.01606	1.0
69.32855	5.0
77.00791	0.5
78.95811	0.5
98.20572	1.0
112.00983	0.4
115.14098	0.4
190.52219	0.4
236.88860	0.4
275.67792	0.5
430.91666	0.6
451.14127	0.6
468.14807	0.5
480.14798	1.0
495.12930	0.7
496.13983	3.8
497.14099	0.8
509.14804	0.6
510.15530	2.0
511.16119	1.9
521.14801	1.1
526.14990	0.7
527.19623	0.7
539.15680	5.4
540.16315	1.2
553.17566	6.9
554.17755	1.8
583.18341	1.4
584.19116	0.9
585.20038	2.1
597.20044	2.4
598.20746	7.6
599.21100	1.9
616.17853	1.5
630.19800	7.5
631.20105	1.4
671.23724	14.7
672.24036	3.6
689.21094	0.6
731.25891	80.4
732.26105	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.3
59.01262	4.8
61.69660	0.5
61.98716	3.7
65.00179	0.6
71.01273	4.2
71.51734	0.5
71.92093	0.4
72.99193	0.6
73.02827	1.0
75.00739	0.6
75.35753	0.5
78.95800	2.6
82.02847	2.1
83.01254	2.0
85.02828	1.2
87.00764	1.1
89.02318	1.7
91.01748	0.7
93.03336	1.6
95.01282	0.7
96.95886	1.6
97.02832	0.7
99.00764	0.8
101.02335	2.0
103.05431	1.1
107.01256	1.4
107.60311	0.5
109.02859	1.3
113.02316	1.6
117.03374	8.1
119.04948	3.8
121.02849	1.3
123.00780	0.9
123.04366	0.9
125.02380	5.1
126.02641	0.6
128.03418	0.5
133.02834	0.6
135.04401	1.0
137.02351	1.0
143.04961	0.8
147.04497	1.1
149.02278	0.7
151.00287	3.8
151.03975	0.7
152.01038	1.5
152.99553	3.6
153.01848	1.2
159.04411	1.0
161.02347	2.2
161.05974	0.8
165.05460	0.7
167.03336	0.6
173.06030	0.6
175.03909	1.3
177.01863	1.4
179.03404	0.6
179.07037	0.7
185.02429	0.6
187.03934	2.2
189.01958	0.7
189.05486	1.9
191.03423	1.2
193.05035	0.5
201.05528	1.5
203.03406	0.9
203.33934	0.5
212.05867	2.0
217.05014	1.2
229.05118	1.1
231.02919	0.7
241.09682	0.9
243.06621	1.2
251.07036	0.7
253.06337	5.0
253.08688	0.7
253.09917	0.6
265.08685	0.9
266.06833	0.9
267.07642	1.1
268.08673	2.7
269.04684	0.6
270.07700	0.8
271.06201	4.7
280.07809	1.1
281.04596	1.1
281.09366	2.4
282.05258	1.0
283.06097	1.8
285.08936	1.4
293.08212	1.1
295.06073	4.6
296.06750	1.4
297.07690	0.6
305.08420	0.6
307.06088	8.6
308.06909	3.2
309.07724	23.0
309.11386	1.1
310.08005	2.2
311.05679	1.3
313.11844	0.8
315.07007	0.8
319.06186	2.5
320.06708	2.0
321.07672	7.3
322.07996	1.2
323.05814	2.7
328.05887	0.8
333.07928	0.6
334.04904	0.8
335.05576	1.5
337.07242	57.2
338.07526	5.5
340.05817	1.9
341.06464	1.0
349.02997	1.2
349.07227	21.7
350.07428	1.6
353.06625	1.5
367.08304	24.6
368.08383	2.6
379.03940	0.8
379.08316	8.6
380.08636	1.0
381.09747	0.6
388.12225	0.8
391.07959	0.9
403.22693	0.7
404.11374	1.9
406.12958	5.5
407.13477	0.6
409.09344	1.4
421.08954	0.9
425.08786	0.7
432.11017	7.4
433.11072	0.8
434.12131	0.8
436.14218	3.0
439.10422	1.2
444.10583	0.7
448.13818	0.6
450.11804	1.3
457.11542	7.7
461.10663	0.6
462.11996	3.9
463.11908	0.6
469.11438	4.3
475.36859	0.6
480.13425	0.5
526.17114	1.4
545.13226	0.6
552.15314	5.1
553.15228	1.0
570.15491	2.5
612.17236	3.9
613.17102	0.7
642.18298	2.0
714.29163	0.7
714.89258	0.6
732.21326	100.0
733.21594	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	731.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17266	0.6
57.03323	2.1
59.01260	16.1
60.56115	0.6
61.98717	10.5
63.02266	0.7
65.00208	6.2
71.01266	10.3
71.78810	0.6
72.99174	1.2
73.02835	4.3
75.00736	1.6
81.03316	0.8
83.01280	5.9
83.04895	1.1
85.02841	3.7
87.00755	2.5
87.04419	0.8
88.98679	2.9
89.02341	3.7
91.20338	0.6
93.03362	1.2
95.01258	2.4
96.95888	5.4
97.02818	1.1
98.20569	1.3
98.95459	1.9
99.00751	2.7
99.04398	1.1
101.02341	5.3
107.01295	4.4
108.02113	1.8
109.02878	6.6
111.00751	2.1
111.04404	0.7
113.02346	3.9
117.03344	0.8
119.03442	0.7
119.04934	6.5
121.02844	1.9
123.00690	1.5
123.04388	1.4
123.08079	0.7
124.01561	1.4
125.02379	4.7
131.18776	0.7
133.02858	1.0
135.04395	2.0
135.08080	0.8
137.02335	2.0
138.06331	0.7
139.00307	6.1
140.79520	0.6
143.03421	1.4
145.02861	1.6
149.02303	2.6
149.05867	0.6
151.00298	13.5
151.03915	1.3
151.07559	0.7
152.01039	1.2
153.01852	2.7
161.04459	2.1
164.01089	1.6
164.04707	1.6
165.01810	2.8
165.05551	1.0
166.02374	0.7
167.07010	1.0
175.03802	0.8
177.01822	2.6
179.05594	0.8
185.06094	3.6
187.04018	1.4
195.06479	0.9
196.00119	1.0
208.23326	0.7
209.05920	1.3
209.11670	0.7
213.05525	2.8
213.09056	1.0
223.06068	2.7
227.07132	1.6
229.05099	9.1
241.05125	3.7
242.05774	2.0
249.09235	1.0
253.05034	0.9
255.06540	1.2
257.08279	0.8
262.10956	0.8
269.04526	2.0
271.06244	6.1
279.06607	0.8
281.04395	1.1
283.06027	1.7
287.22284	1.8
288.22415	1.2
293.08218	1.5
296.06824	1.4
297.07565	1.9
298.08383	1.0
307.05981	2.1
309.04205	5.1
310.04788	0.9
313.07385	0.9
313.10730	2.3
321.07434	2.6
323.05441	1.1
324.06326	1.1
325.07187	2.5
329.23221	1.9
337.07095	3.3
337.10800	1.5
339.08609	2.1
349.07159	4.7
350.07355	1.0
364.09406	2.2
365.06436	1.8
379.12079	4.1
393.06201	11.6
394.06354	2.0
395.11182	1.0
407.07578	2.0
408.08521	15.1
409.08887	2.4
419.11838	0.8
423.10925	80.7
424.11313	9.3
425.12347	1.7
447.10767	1.2
465.11673	4.0
501.24100	0.9
513.13971	0.7
525.13715	1.8
547.14941	1.1
583.34869	0.8
611.18481	1.3
627.37708	1.2
634.57642	0.8
643.36798	1.5
669.37903	1.8
671.23206	0.8
687.39850	4.9
731.21808	100.0
731.37042	3.3
732.22217	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	729.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65197	0.4
57.03336	36.8
58.03675	0.5
59.01264	6.0
61.98713	2.0
65.00186	0.9
65.56390	0.4
68.99690	0.4
69.03340	10.3
70.59988	0.4
71.00900	0.5
71.01274	5.9
71.04899	1.8
72.99192	1.2
73.02835	1.9
75.00768	0.5
80.75204	0.4
83.01277	1.6
85.02832	3.8
87.00763	0.8
89.02343	1.6
93.03355	1.8
95.01279	0.7
95.04914	0.4
96.95902	1.5
97.02840	2.3
98.20679	0.7
99.00787	3.1
99.04419	2.7
101.02343	10.7
107.01300	1.3
107.04881	0.5
108.02059	2.1
109.02843	1.8
111.00772	0.5
111.08073	1.7
113.02351	4.9
113.05955	1.0
117.03348	0.7
119.04919	2.9
121.02867	0.8
123.04404	1.0
123.08080	1.0
125.02367	14.5
126.02665	0.5
131.03409	0.5
134.03606	0.4
135.04480	1.2
137.02351	2.3
139.03888	0.5
139.11218	20.5
140.11559	0.7
143.03419	1.0
149.02348	0.8
151.00320	4.9
151.03909	1.1
152.01076	2.7
153.01843	1.3
161.02382	0.8
161.04434	2.1
163.04008	0.4
164.04825	0.6
165.01993	0.5
165.05473	0.5
165.09174	0.5
167.03436	0.8
175.00273	0.5
175.03970	0.7
177.01901	0.9
179.03427	0.4
181.05006	0.5
183.10229	100.0
184.10583	5.1
191.03369	0.5
193.05099	1.0
195.02898	0.5
205.05118	0.6
229.26013	0.5
269.04602	3.6
271.06192	9.5
271.08664	0.3
272.06610	1.0
275.07791	1.2
287.05438	0.5
295.02582	0.4
315.07291	1.5
335.05951	0.7
343.08133	0.5
401.10938	16.2
402.11221	1.2
419.11963	12.9
420.12448	1.2
420.35205	0.4
425.00717	0.4
425.08765	1.1
443.12009	3.6
461.13089	4.9
483.15457	0.9
501.16513	1.5
545.13245	1.6
585.22095	7.4
586.22260	1.1
627.23108	0.9
729.26453	10.0
729.83807	1.0
730.27014	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	729.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68976	0.6
57.03325	1.5
58.49569	0.5
59.01265	7.2
61.98712	6.0
65.00200	0.8
69.03341	1.1
69.86536	0.6
69.96638	1.1
69.97060	2.0
71.01270	6.1
72.99191	1.2
73.02852	1.3
75.00759	1.2
81.03349	1.4
83.01268	1.6
84.02094	0.8
85.02849	2.9
85.51463	0.5
87.00770	1.1
89.02354	2.2
93.03362	1.8
95.01315	1.0
96.95943	2.6
97.02895	0.8
98.19887	0.7
99.00778	1.3
101.02356	2.8
107.01283	0.7
107.04921	0.8
108.02087	7.5
109.02877	9.7
113.02367	2.9
117.03375	5.5
119.01263	1.3
119.03432	0.7
119.04958	1.4
121.02864	10.7
122.03661	4.9
123.00836	1.3
123.04423	1.6
124.01578	1.1
125.02373	5.2
133.02919	1.1
134.03688	1.7
135.00757	0.7
135.02921	0.6
135.04451	3.5
136.01595	66.2
137.02466	5.4
138.03142	0.8
145.02936	0.9
146.03627	0.9
147.00809	0.7
147.04457	4.5
148.01553	0.8
149.02399	7.0
149.05988	1.4
149.73195	0.5
150.03098	0.7
151.00377	2.1
151.03957	100.0
152.01108	5.4
152.04317	4.2
153.01891	11.3
154.02602	1.3
159.04471	1.8
160.05289	1.7
161.02417	5.1
161.04596	1.1
161.06030	1.9
163.03955	4.8
164.04749	6.5
165.01878	1.2
165.05545	8.9
167.03435	1.0
173.02406	2.4
173.06044	0.8
174.02904	0.7
175.00331	6.8
175.03931	4.9
175.07590	1.6
176.04723	3.3
177.01895	1.0
177.05461	1.7
178.06284	0.9
179.03517	2.1
179.05865	0.5
179.07169	3.9
181.04985	1.0
185.02434	1.1
187.04013	2.5
189.01961	1.1
189.05557	1.5
190.02705	19.2
190.06331	2.4
191.03288	1.7
191.07106	5.5
193.05054	1.1
194.05922	0.8
195.06522	0.7
203.07094	0.6
205.05061	22.6
206.05444	1.6
208.03712	0.7
209.04648	1.0
209.08206	1.5
210.18912	0.6
215.03453	1.5
217.01524	1.7
217.05136	0.7
221.70638	0.6
223.06125	6.5
224.06485	0.7
227.03748	0.6
241.01331	0.9
251.07112	0.7
255.05241	1.0
261.05835	0.7
267.06747	0.8
269.04642	8.9
279.06683	2.6
284.59341	0.5
293.04791	0.8
294.09122	1.5
297.07840	4.9
297.11295	1.0
305.04575	1.9
306.05243	1.3
307.06088	3.2
312.10123	2.6
313.10916	1.1
315.07257	10.7
327.12448	17.7
328.12912	1.4
335.05679	9.5
335.09396	0.8
336.06137	1.1
339.08789	0.7
339.12570	1.7
341.14108	1.7
342.11111	6.0
343.11667	1.5
346.14371	2.3
347.14975	1.1
357.13504	57.0
358.13940	6.6
361.16660	16.4
362.17081	1.0
365.06796	1.8
367.10434	32.2
368.10776	2.3
371.15100	1.1
371.29218	0.6
425.08847	28.4
426.09149	3.2
455.10031	1.9
507.22226	4.3
537.21490	7.4
538.21497	1.3
545.13147	34.0
546.13519	6.1
567.22455	55.5
568.22742	8.1
657.60846	0.6
669.27740	1.2
728.84161	1.0
729.27252	14.0
730.27942	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
59.01266	8.9
61.98716	8.9
62.85302	0.5
69.03325	1.3
71.01269	7.4
71.51791	0.5
72.99192	1.2
73.02834	2.1
75.00773	1.0
75.04421	0.4
83.01272	1.3
85.02839	4.9
87.00778	1.2
87.07548	0.5
88.98700	0.6
89.02353	3.2
93.03351	5.5
95.01298	2.0
95.04912	0.8
96.95917	2.6
97.02854	1.0
97.06490	0.5
99.00792	1.7
99.04436	0.6
101.02341	4.6
107.01287	1.3
107.04925	0.8
108.02079	11.3
109.02864	13.6
111.00738	0.6
111.04357	0.5
112.85225	0.5
113.02369	3.1
115.00292	0.6
117.03371	18.3
118.03741	0.8
119.03436	1.0
119.04944	1.8
121.02865	10.7
122.03683	5.9
123.00795	1.6
123.04441	2.3
124.01580	0.9
125.02372	5.1
133.02863	2.1
134.03644	2.6
135.00772	1.0
135.02921	0.9
135.04462	4.6
136.01591	63.3
137.02396	5.6
145.02896	1.9
146.03586	0.8
147.00763	0.8
147.04443	3.4
149.02385	5.6
149.06024	1.3
150.03134	1.6
151.00513	2.8
151.03946	93.7
152.01096	12.2
152.04266	3.2
153.01872	21.9
154.02536	1.5
159.04507	1.2
160.01569	0.9
160.05215	1.9
161.02380	5.1
161.04504	1.4
161.05943	1.0
162.03119	1.2
163.03940	5.0
164.04758	5.0
165.01878	1.7
165.05533	10.8
166.02596	0.6
167.03531	1.3
173.02397	7.6
173.05907	0.5
175.00354	8.9
175.01883	1.0
175.02466	0.9
175.03873	3.7
175.07527	1.4
176.04776	2.8
176.06110	0.5
177.01900	1.8
177.05544	3.2
178.06316	1.6
179.03413	1.2
179.05627	1.0
179.07083	5.2
181.04915	0.9
183.10324	0.6
185.02437	3.0
186.03169	0.7
187.03992	4.9
188.04784	0.9
189.01891	3.4
189.05476	1.8
190.02681	20.5
190.06339	2.2
191.03281	1.7
191.07104	4.3
193.01341	0.9
193.05048	1.7
193.08690	1.3
194.05731	0.9
195.02837	1.3
197.02406	1.8
201.05499	0.6
203.03571	1.1
205.05034	22.5
205.08670	0.7
206.05562	1.4
207.08026	0.5
208.03635	0.6
209.08173	1.0
215.03465	5.5
217.01448	3.9
221.08281	0.7
223.06105	6.6
225.05513	1.1
227.03392	0.7
233.18526	0.6
241.01431	1.9
247.06351	0.6
253.04961	0.7
255.05066	1.1
261.05478	0.6
263.07153	0.8
269.04590	5.4
270.05069	0.7
271.06039	1.1
278.05954	1.1
279.06686	1.9
283.06290	0.8
283.29266	0.6
285.04184	1.6
293.04639	2.3
294.08939	1.2
295.06345	0.8
297.07819	2.7
305.04605	7.1
306.05307	5.1
307.06155	10.0
308.06522	0.6
311.12799	0.9
312.10101	2.3
313.10733	0.7
315.07269	19.5
315.12701	0.8
316.07538	0.9
317.04541	0.7
327.09100	0.8
327.12430	15.7
327.16351	0.8
328.12875	1.7
335.05692	32.1
336.06168	3.3
338.04175	1.2
339.12592	0.9
341.13995	1.1
342.11261	4.9
343.11850	1.2
346.14365	3.1
347.05786	0.8
347.15143	1.5
352.07825	0.8
356.12741	0.9
357.13501	51.7
358.13867	3.7
361.16656	16.4
362.17062	1.7
365.06677	7.7
366.07126	1.0
367.10413	28.8
368.10782	1.5
371.15240	0.8
377.06876	0.8
383.06555	0.7
407.07407	0.9
425.08859	99.1
426.09189	11.5
455.10107	2.8
463.39905	0.7
481.14322	0.5
507.22482	7.6
508.22791	0.8
537.21558	5.9
545.13123	100.0
546.13525	12.0
567.22455	43.7
568.22870	7.7
669.27576	2.2
729.26447	20.6
730.26147	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	729.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03341	3.5
59.01265	9.1
61.98706	2.8
65.36268	0.4
68.06463	0.4
68.99713	0.5
69.03345	2.1
70.91518	0.9
71.01272	7.6
73.02833	1.4
75.00759	0.6
83.01276	9.4
85.02837	6.0
87.00774	0.8
89.02345	1.2
93.03361	1.7
95.01280	3.2
97.02843	5.3
99.00788	1.2
99.04410	1.5
100.61885	0.4
101.02357	5.4
107.01305	1.0
108.02079	80.2
109.02879	44.4
110.03217	1.5
113.02380	2.9
119.03445	0.5
121.02889	3.1
123.00822	2.7
123.04416	1.8
125.02369	21.2
126.02701	0.7
133.02881	0.9
134.03645	0.5
135.00797	3.0
135.04459	1.4
137.02347	0.9
143.03445	1.2
149.02386	5.6
151.03993	2.7
152.01096	85.9
153.01883	40.8
153.02921	0.4
153.05479	0.4
154.02245	1.7
161.04465	1.9
163.03970	2.6
165.01892	3.2
166.05121	0.5
167.03461	3.9
172.05272	0.8
177.01904	0.6
179.03458	0.7
187.07596	0.5
190.13924	0.5
195.02934	4.7
203.05658	0.4
207.02910	0.5
216.04326	1.2
217.05101	2.5
225.03954	1.0
225.11246	1.9
245.06693	1.1
297.06177	1.3
315.07294	42.5
316.07614	3.8
357.08359	22.0
358.08676	1.9
379.10495	0.7
397.11502	4.8
399.09384	6.4
400.09888	0.5
423.09256	3.1
441.10550	2.3
459.11557	10.4
460.11914	1.3
483.10818	0.5
501.12714	0.6
531.13617	0.6
543.13721	2.0
585.15381	0.5
596.86102	0.4
603.15796	10.1
604.15851	1.5
711.18390	0.9
729.18988	100.0
730.19214	19.7
745.61224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69048	0.3
56.61891	0.3
59.01265	20.2
69.90132	1.7
71.01276	2.1
73.02850	0.3
78.64068	0.3
80.55988	0.3
83.01318	0.3
85.02839	0.6
87.00761	0.4
88.83601	0.3
89.02347	1.4
101.02333	1.9
104.56019	0.3
104.92900	0.3
113.02359	1.5
119.03410	0.6
125.09669	0.4
127.11201	1.2
145.04964	0.5
150.76308	0.3
153.09142	0.5
161.04475	0.9
171.10223	83.3
172.10532	2.8
179.05669	0.3
209.11780	1.5
233.22871	0.3
235.08249	3.0
253.09351	7.0
259.20767	0.3
275.20218	0.5
277.21777	100.0
278.22122	8.7
281.24942	1.8
407.19241	1.5
513.30774	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	727.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88044	0.2
59.01264	15.7
61.23546	0.3
61.98714	0.4
71.01276	1.2
83.01281	0.5
85.02850	0.4
89.02344	1.0
98.20674	0.5
101.02357	1.7
108.18455	0.3
111.89394	0.3
113.02349	0.8
125.09662	0.7
127.11227	1.5
153.09134	0.4
161.04523	0.9
166.52928	0.3
171.10222	100.0
172.10576	4.3
179.05594	0.7
201.61739	0.3
229.15013	0.3
233.22739	0.3
235.08226	1.9
253.09305	5.0
254.09738	0.3
277.21783	50.4
278.22134	4.5
407.19171	2.9
408.19949	0.3
514.30261	0.4
648.47974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71481	1.0
57.03330	1.6
59.01264	24.8
61.98715	9.1
71.01274	6.6
71.02702	1.7
72.84892	0.8
73.02833	2.9
75.00731	0.9
83.01285	2.3
84.94996	0.9
85.02842	2.6
87.00760	2.4
89.02334	1.9
96.95901	2.6
99.00787	1.9
101.02337	4.0
103.40459	0.7
109.02876	1.0
113.02349	2.5
116.92751	0.8
119.03429	0.9
119.04881	1.1
121.02871	1.5
121.06479	1.3
123.04449	1.2
125.02373	3.1
135.04465	2.2
136.05228	1.7
137.06018	83.8
138.06332	2.8
145.02951	1.0
148.05315	1.1
149.02350	1.4
149.06001	9.4
150.06383	1.2
151.00345	1.2
151.03926	2.6
151.07361	0.8
152.04706	1.3
161.04482	0.8
161.49237	0.9
161.50681	0.7
163.03914	0.9
163.07559	1.0
164.04739	5.0
165.05525	100.0
166.05901	3.6
168.35352	0.8
173.05960	1.2
175.03995	1.1
177.05600	0.9
183.13777	1.0
187.07596	1.0
191.07085	3.3
223.06129	3.5
245.07253	0.8
269.04620	1.1
287.22476	1.3
288.66693	0.8
361.23578	1.0
365.10275	1.7
394.10736	1.0
395.11682	4.7
396.11606	1.1
401.14209	0.8
409.12933	3.5
410.13452	1.0
451.34424	1.4
461.32880	5.0
463.34579	1.9
464.31494	3.6
465.15646	1.1
477.32407	2.0
478.32529	1.1
479.33960	80.9
480.34253	11.3
623.38159	3.4
641.39014	2.3
663.44867	0.9
683.40228	72.7
684.40594	11.5
727.25385	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	725.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	1.3
59.01265	31.0
61.98711	5.0
67.18271	1.1
69.03355	1.2
71.01271	21.9
71.52457	1.7
72.99191	4.2
73.02831	3.5
77.53459	1.1
81.03343	1.4
83.01278	4.0
85.02832	5.7
87.00764	4.9
89.02335	22.2
91.03904	1.3
95.01259	1.7
97.02831	3.1
99.00801	1.4
101.01714	1.6
101.02341	19.0
113.02351	10.7
115.38676	1.2
119.03432	6.8
125.02383	7.8
139.03964	1.2
143.03426	3.3
143.74684	1.2
161.04472	5.0
179.05556	3.1
197.38313	1.1
212.60472	1.3
221.06665	2.4
235.08211	11.1
235.63582	1.0
253.09256	2.2
267.23340	74.1
268.23721	4.2
287.07791	2.2
305.08868	4.4
329.45029	1.1
397.13574	100.0
398.13861	7.6
408.21329	1.1
415.14636	28.9
416.14926	2.2
665.37408	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	725.45
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04307	0.3
59.01266	100.0
60.01601	1.2
61.98732	1.1
68.66069	0.3
71.01256	1.5
73.02865	0.5
74.24465	0.3
74.82887	0.3
75.25245	0.3
78.95802	0.5
85.02830	0.4
89.02363	0.9
93.70610	0.3
96.95922	0.6
101.02356	0.9
113.02441	0.4
119.03417	0.4
121.02885	0.5
139.31796	0.3
139.70935	0.3
190.91187	0.3
209.11821	2.8
210.12199	1.5
211.12462	0.5
277.21783	28.4
278.22189	4.4
279.22610	0.9
281.86142	0.3
291.23355	4.0
292.23792	0.5
301.21881	0.4
319.22937	1.5
354.16660	0.4
454.06543	0.4
725.44965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03344	2.2
59.00993	0.9
59.01267	10.2
59.01539	0.9
61.98717	1.4
65.00215	1.6
65.03873	0.5
69.03346	1.2
70.90476	1.2
71.01272	9.5
72.99193	0.9
73.02495	0.5
73.02841	2.4
73.78474	0.5
74.05041	0.4
75.00753	5.5
81.03371	0.8
83.01279	10.1
85.02838	3.4
87.00759	2.7
88.98701	0.8
89.02341	2.6
93.03358	35.2
94.03698	0.8
95.01300	0.8
95.04920	0.8
96.95908	0.7
97.02853	3.2
99.00782	0.8
99.04421	0.9
101.02333	5.0
107.01295	1.5
107.04955	5.5
108.02076	2.6
109.02885	1.1
109.93427	0.6
111.00775	0.8
113.02340	2.4
116.69215	0.5
116.92746	0.6
119.04974	2.3
121.02869	4.0
123.04440	6.7
124.79412	0.5
125.02366	23.2
126.02728	0.9
127.00364	0.5
129.01855	2.1
133.02908	2.2
134.03683	1.4
135.04449	9.5
136.04745	0.7
137.02357	4.8
138.03177	0.5
138.33995	0.5
143.03433	0.7
147.04469	2.0
149.02385	18.4
149.03581	1.1
150.03009	1.0
151.00380	5.1
151.03947	49.4
152.01135	0.8
152.04428	1.6
153.01868	1.0
161.02367	1.3
161.04558	1.2
162.03156	1.1
163.03957	1.5
165.01877	1.4
165.05484	1.0
167.03456	0.8
174.01636	0.8
175.03995	0.8
177.01871	0.8
177.05511	0.9
185.04527	0.6
187.04048	0.7
187.16014	0.5
193.05098	1.6
205.05122	1.4
209.08195	0.6
212.06950	1.5
218.36134	0.5
227.09297	2.5
245.06703	0.9
253.04962	1.6
271.06122	0.8
275.09363	0.6
283.06195	1.4
293.08871	0.5
295.08334	9.8
313.09354	100.0
314.09686	7.9
315.07202	1.2
355.10397	67.9
356.10727	5.1
395.13516	3.7
396.14023	0.7
397.11465	25.8
398.11780	2.6
403.14127	0.9
421.11569	4.8
439.12592	2.7
457.13330	1.0
496.27817	0.6
499.14584	1.4
601.17926	3.9
602.18085	0.8
727.20660	7.9
728.21484	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	725.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14251	2.2
57.03331	10.1
59.00985	3.7
59.01267	37.6
59.53647	2.1
60.61477	2.1
60.99185	9.2
61.98699	4.7
67.93803	2.0
69.03326	3.3
70.72311	8.9
71.01275	30.6
72.99187	3.0
73.02840	7.0
75.00748	3.5
83.01282	100.0
83.01783	5.1
85.02856	13.1
87.00774	4.0
88.66238	2.0
88.98699	68.6
89.02350	12.4
91.28333	2.0
95.01285	3.8
96.95925	6.3
97.02850	5.3
99.00780	6.4
99.04412	4.5
101.02354	32.1
109.66392	2.7
111.57284	2.1
113.02376	13.7
115.00205	2.5
119.03438	2.6
125.02360	19.0
137.02322	4.0
149.04446	2.6
151.00296	8.4
161.04552	15.4
161.05769	3.2
175.02382	3.9
175.03903	4.2
179.98557	2.7
234.22214	2.5
245.06766	30.6
251.11432	21.4
280.64038	2.6
293.12762	2.5
309.04391	2.5
319.10254	4.0
335.13480	29.4
371.09860	16.1
377.14481	6.4
563.18042	3.5
725.20422	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	725.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.2
57.03332	1.2
58.00476	0.4
59.01264	7.4
61.98713	2.4
65.00220	0.4
65.03841	0.3
67.01744	0.3
69.03340	0.7
71.01268	6.8
71.04903	0.3
71.51808	0.2
71.52181	0.3
72.74030	0.2
72.99200	1.1
73.02835	1.8
74.98506	0.2
75.00764	0.5
80.38947	0.2
81.03317	0.3
83.01247	1.0
84.02045	0.2
85.02839	4.3
87.00779	1.0
89.02335	4.9
89.03870	0.2
91.05428	0.6
93.03365	1.5
95.01286	0.8
95.04921	0.3
96.95929	0.6
97.02858	1.3
97.06516	0.3
99.00781	3.0
99.04408	0.4
101.02349	3.8
107.01302	0.4
107.04897	0.3
108.02094	0.3
109.02865	0.9
109.06495	0.3
111.00824	0.5
113.02357	3.3
117.03374	0.8
119.01286	0.4
119.03451	1.0
119.04923	1.3
121.02876	7.4
123.00677	0.2
123.04420	0.6
125.02375	2.0
125.06023	0.2
127.11238	0.2
129.01826	0.2
131.03398	0.5
132.02068	1.2
134.03635	0.5
135.02914	0.4
135.04424	1.6
137.02365	3.1
137.09634	0.3
139.00278	0.2
143.03406	0.4
145.02843	0.2
146.08116	0.5
147.00806	0.4
147.04448	3.7
149.02379	52.3
150.02724	1.7
150.05608	0.2
151.00296	1.7
151.03886	0.5
152.01140	1.2
153.01834	0.3
154.58740	0.2
160.01584	0.4
161.02402	0.3
161.04491	1.1
162.03235	0.3
163.03931	0.9
163.16144	0.2
164.04736	49.4
165.01830	0.3
165.05067	2.1
166.02655	0.5
167.03445	0.7
168.54988	0.2
171.10207	4.3
172.10542	0.3
175.00314	3.1
175.03958	0.8
176.00905	0.3
177.01802	0.5
178.02637	0.2
179.03514	0.3
179.05576	0.7
179.07069	5.2
180.07321	0.3
181.04967	0.6
183.13892	1.0
186.80646	0.2
189.12813	0.7
190.02684	8.0
191.03123	0.7
191.05540	0.4
193.01364	0.9
193.04996	0.4
201.11246	0.4
203.07034	0.3
203.59062	0.2
205.05048	10.4
206.05377	0.7
207.13817	0.3
208.03784	3.0
209.04305	0.2
211.13371	1.8
215.07188	0.2
216.07382	0.2
217.08440	0.2
221.06696	0.5
221.11833	0.3
223.06119	100.0
224.06468	5.6
229.14526	1.2
235.08168	0.4
253.05067	0.4
265.07043	0.3
269.04630	0.2
271.06348	1.0
272.06573	0.2
291.19708	0.5
308.03152	0.3
311.09631	0.2
315.07660	0.2
315.12402	0.5
327.21823	19.8
328.22229	1.7
337.71173	0.2
339.12485	0.3
367.10468	0.8
397.13489	0.4
415.14645	5.8
417.15698	0.5
418.15674	0.3
501.23676	2.0
502.23712	0.2
519.24463	1.0
580.16602	0.3
624.80750	0.5
707.23468	0.8
708.24542	0.3
724.83905	0.3
725.30066	6.2
726.30420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.1
59.01265	13.4
61.98713	11.9
65.00196	1.6
65.03828	2.3
65.70582	0.7
67.01777	0.9
71.00899	1.1
71.01270	11.1
71.23376	1.5
71.23695	0.8
72.77971	0.8
72.99190	1.0
73.02827	2.5
83.01273	3.6
83.04910	0.8
85.02840	4.8
87.00777	2.8
88.98716	1.3
89.02332	3.1
91.01752	1.4
91.04922	0.8
91.05441	7.8
93.03346	4.6
95.01276	1.7
95.04921	1.5
96.95898	2.7
99.00764	1.8
99.04394	1.2
101.02354	5.9
107.01276	2.1
108.02069	2.4
109.02864	28.3
109.03618	1.5
111.00765	1.0
113.02352	4.6
117.03373	3.0
119.01283	5.1
119.03451	1.1
119.04939	5.9
121.02870	24.2
123.04430	2.2
125.02386	5.7
132.02014	1.2
133.02864	3.3
133.06548	1.0
134.03644	3.2
135.04449	67.1
136.01581	0.8
136.04768	2.3
137.02350	1.7
145.02895	7.0
147.00804	3.1
147.04446	9.5
148.01573	3.4
149.02376	16.3
149.06047	6.6
150.03194	5.3
151.00314	7.2
151.03909	2.5
152.01080	1.2
153.01846	1.3
159.04472	2.0
160.01605	1.8
161.02403	6.4
161.04524	2.2
161.06029	1.9
162.03162	1.4
163.00346	1.0
163.03983	3.2
164.04739	16.3
165.01898	2.3
165.05453	2.9
166.02567	1.1
167.03456	1.0
171.10204	0.9
173.02356	1.1
173.06020	1.3
174.03188	4.3
174.98792	1.5
175.00330	28.6
175.03882	5.2
175.07553	2.5
176.01112	16.4
177.01843	3.3
179.03484	0.9
179.05659	1.1
179.07118	4.2
180.07600	0.9
183.69931	0.9
185.06052	1.5
187.03946	2.7
187.07535	1.1
188.04745	9.6
189.01903	1.1
189.05489	2.0
190.02690	78.8
190.06247	8.6
191.03436	23.9
191.07074	3.4
192.04012	1.6
193.01392	1.5
193.05000	2.1
194.02142	1.0
195.06671	1.1
199.07599	0.9
201.05533	1.2
203.07135	43.0
204.07431	2.3
205.05051	89.1
206.05409	5.0
207.03101	0.8
207.06602	1.0
208.03720	3.1
209.04526	5.6
209.11810	1.5
214.06342	1.4
217.01569	0.9
217.08690	19.3
218.09087	1.4
220.03802	6.8
221.04553	1.0
221.08188	1.0
223.06120	18.6
224.06392	1.3
225.09256	0.7
229.08781	6.6
230.09050	1.0
233.04437	0.9
247.06038	1.6
253.05125	1.8
254.05853	1.7
269.08197	1.5
269.11627	0.8
271.06122	2.9
287.22263	3.2
293.04593	1.0
296.06961	4.0
315.12473	1.0
321.11511	1.4
323.09155	0.8
327.21869	3.6
338.11676	2.3
339.12424	44.7
340.12698	2.8
343.08374	1.5
352.08258	1.6
353.08838	6.9
353.13519	1.3
354.09317	1.1
357.13651	2.9
367.10428	71.2
368.10794	5.5
386.09949	0.9
415.14810	1.0
501.17813	2.1
503.19870	1.0
527.32440	1.0
531.35718	0.9
563.33600	0.9
579.17822	1.0
665.37653	1.5
707.23608	100.0
708.23853	21.4
725.24292	27.5
725.36908	2.1
726.23560	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	725.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77073	0.4
55.01767	0.5
57.03333	0.8
59.01258	5.8
59.09990	0.4
61.98719	5.8
70.71485	1.2
71.01267	4.5
72.99191	0.5
73.02828	2.0
81.03342	0.4
83.01264	1.6
83.09277	0.4
85.02828	2.0
87.00761	0.8
88.98698	0.6
89.02344	2.6
93.03368	1.0
95.01274	0.5
96.95896	1.7
99.00761	0.9
101.02343	2.9
108.02067	1.4
109.02827	1.4
111.00761	0.8
113.02363	2.3
115.11375	0.5
116.92759	0.4
117.03375	0.5
119.01268	0.6
119.03378	0.7
119.04930	1.6
121.02855	1.6
123.04430	1.0
125.02397	2.4
132.02103	2.9
133.02905	2.1
133.06464	0.7
134.03648	6.2
135.04459	3.2
137.02362	2.5
138.65587	0.5
143.03459	0.5
143.58615	0.4
145.02919	0.7
147.04480	0.5
148.01590	0.9
149.02425	2.4
149.05972	1.4
150.03061	0.6
151.00256	1.4
151.03943	1.1
152.00993	1.2
153.01846	1.1
153.05511	0.6
159.04485	0.5
160.01607	13.5
161.02386	3.8
161.04482	1.3
163.00305	0.4
163.03928	1.5
164.04723	1.4
164.54811	0.4
165.01820	0.4
165.05449	1.1
167.03383	0.9
174.03368	0.6
175.00369	0.6
175.03961	15.0
175.05524	0.8
176.04410	0.5
177.01894	0.9
177.05528	7.3
178.02588	0.8
179.03438	1.5
179.07007	0.8
181.04950	0.5
189.73155	0.4
190.02641	1.6
191.03473	0.6
193.05011	6.0
193.08681	0.5
194.05568	0.7
195.06607	8.1
196.06900	0.4
201.26306	0.4
203.07217	0.6
205.03314	0.4
205.05028	1.8
221.04538	1.7
223.06070	3.2
229.08675	0.4
235.48888	0.5
267.06738	0.7
268.03903	0.5
269.04648	0.9
280.07425	0.6
281.04559	0.6
283.06244	1.9
283.09308	0.4
287.22174	0.6
295.06201	4.5
296.06757	0.9
297.07703	1.8
297.64758	0.4
299.05579	1.0
303.21844	0.8
307.06174	2.3
308.06882	0.6
309.04248	0.6
309.07733	1.9
311.05521	1.2
312.06451	1.5
313.07196	4.2
321.07715	1.1
323.05487	0.7
324.06351	1.2
325.07208	11.7
326.07755	2.6
327.05103	1.3
327.08722	1.7
336.06265	1.0
337.06506	3.6
337.10126	0.7
338.07971	1.3
339.08728	3.0
339.12375	0.6
341.06802	1.4
342.07404	1.7
343.08270	17.8
344.08578	1.7
349.07260	2.3
351.08517	0.7
353.06708	2.1
354.07367	3.4
355.08304	4.5
356.09207	2.2
357.09866	4.7
357.13727	0.7
367.08102	5.5
367.15521	0.5
368.09039	2.1
369.09875	3.0
371.03003	0.9
371.07773	18.9
372.08453	8.3
373.09036	1.2
385.09369	16.5
386.10089	8.9
386.83661	0.5
387.10895	5.5
388.11224	0.5
447.98218	0.4
455.19138	0.5
527.32513	1.1
633.79712	0.5
693.22559	0.5
707.20166	1.0
724.36371	0.6
725.20996	100.0
726.21283	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	725.174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.4
59.01262	5.5
61.98718	3.6
65.00212	1.6
70.00249	2.5
71.01278	4.6
72.99189	1.3
73.02827	1.4
74.02406	0.4
75.00776	1.0
77.08990	0.4
83.01280	1.8
85.02843	1.8
87.00776	1.0
88.98716	1.2
89.02350	2.1
89.03850	0.7
91.05436	0.5
93.03357	8.3
96.95906	1.0
97.02850	0.7
99.00826	1.3
101.02347	3.0
107.01272	2.2
107.04932	0.7
108.02063	0.7
109.02859	1.0
111.00826	0.6
113.02368	1.7
113.45719	0.5
116.92714	0.4
117.03377	18.5
119.04948	5.6
123.00774	0.5
123.04464	0.5
125.02368	3.5
132.02206	0.5
133.02914	2.4
134.03665	6.5
135.04446	59.0
136.04773	2.5
137.02373	9.8
140.39682	0.5
145.02895	1.6
147.04460	1.0
148.23172	0.4
149.02429	1.3
151.00310	9.7
151.04025	0.5
152.01140	1.2
153.01878	0.6
159.04433	0.9
161.02376	10.7
161.04468	1.0
163.00323	0.6
163.03961	1.7
164.04625	0.9
165.01918	0.8
167.03423	0.9
173.02377	6.9
174.02827	0.7
175.00322	1.0
175.03922	2.4
177.01926	1.2
177.05461	1.2
179.03458	36.6
180.03813	1.7
185.02370	4.3
187.03954	4.0
189.01930	3.2
189.05524	0.7
190.02565	0.7
191.03476	1.3
193.01221	0.6
193.05043	1.2
197.02386	2.6
201.02036	0.6
203.03456	1.6
205.05051	1.6
215.03470	5.0
217.01396	3.2
217.04901	0.7
221.04469	0.5
223.06151	0.9
227.03584	0.7
235.07674	0.6
241.01433	1.6
243.03073	0.5
245.04628	1.2
251.07309	0.6
261.05411	0.6
263.07312	0.9
269.04568	1.0
271.02942	0.8
271.06149	7.1
278.06055	0.6
281.04572	0.7
282.05414	1.3
283.06125	2.9
293.04550	1.7
295.06161	3.4
296.06866	1.4
297.07712	10.2
298.08231	0.9
305.04526	7.0
306.05414	5.9
307.06216	9.0
308.06711	0.9
309.07755	1.1
311.05670	2.4
317.04477	1.1
321.07748	0.6
323.05707	3.6
324.06213	0.6
325.07141	3.7
328.05936	1.6
331.04590	0.6
335.05682	41.5
336.06027	4.4
337.07178	3.1
338.04379	1.4
341.06747	0.6
347.05606	0.7
349.07437	0.8
351.05188	0.5
353.06732	29.8
354.07065	2.9
355.08466	0.7
365.06711	10.8
366.07153	1.4
377.06830	1.3
383.07770	19.6
384.08206	1.9
389.06717	0.7
395.07797	3.7
396.08191	0.6
403.28494	0.4
407.07697	1.2
413.08875	2.4
419.12097	1.1
425.08862	51.2
426.09198	7.3
437.08911	0.6
443.09921	17.7
444.10211	1.9
455.09924	30.7
456.10339	4.6
473.10989	22.6
474.11197	3.2
485.11008	2.3
503.12137	3.7
515.12463	0.7
545.13116	81.4
546.13501	12.6
563.14148	100.0
564.14587	13.5
604.56384	0.5
605.13513	1.8
635.13666	2.2
665.14917	0.7
725.22522	5.7
726.17767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.3
57.03324	0.2
58.00481	0.3
59.01263	4.1
61.98719	0.3
71.01267	3.5
71.04903	0.2
72.99172	0.3
73.02831	0.6
80.02576	1.1
81.03352	1.2
83.01266	0.4
83.04918	4.2
83.05386	0.3
84.02050	0.7
85.02827	0.8
87.00768	0.4
89.02340	2.0
93.03404	0.2
95.01311	0.4
95.04935	0.5
97.02867	0.2
97.06490	0.3
98.20576	0.4
99.00789	0.2
101.02341	2.7
109.06523	0.2
113.02362	1.5
113.15210	0.1
119.03421	0.5
125.02386	0.2
125.05988	0.5
125.09615	0.2
133.04977	0.2
135.08099	0.5
143.03426	0.4
145.04997	0.4
147.11787	0.3
149.04498	0.2
161.04536	1.1
163.11247	3.4
165.12796	2.4
166.13185	0.2
179.05560	0.4
181.12279	0.7
191.10696	0.8
209.11815	100.0
210.12149	6.1
210.14232	0.2
215.42960	0.2
227.12886	11.2
228.13182	0.7
229.39720	0.2
233.22781	0.3
235.08252	3.0
253.09319	8.2
254.09727	0.4
259.20575	0.3
275.20209	0.4
277.21777	70.8
278.22125	7.5
291.23303	0.3
332.37323	0.2
412.96396	0.2
445.21036	0.8
446.21146	0.2
463.21573	0.2
637.62360	0.2
674.72662	0.2
723.43701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.2
57.17982	0.2
59.01262	2.2
61.98716	100.0
62.98414	0.2
71.01273	0.5
71.51411	0.3
88.98695	0.2
89.02361	0.3
91.42779	0.2
99.04427	0.2
101.02365	0.5
111.21375	0.2
113.02312	0.3
121.02885	0.2
125.02402	0.4
133.02904	0.2
135.04471	0.3
149.02380	0.2
173.94484	0.2
187.07721	0.2
215.74858	0.2
219.10426	0.2
263.20193	0.4
264.20547	0.3
280.37173	0.2
312.06528	0.2
353.14407	0.2
375.08948	0.3
376.09146	0.4
393.10223	0.3
394.10196	0.3
398.13849	0.3
399.14200	0.4
400.14355	0.3
502.19998	0.4
519.20496	1.0
520.20654	3.3
520.27936	0.3
521.21631	0.8
681.40601	0.3
719.93860	0.2
724.27142	0.3
725.28485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
57.03323	0.2
58.00488	0.2
59.01261	3.6
61.98711	0.5
64.94773	0.1
69.03345	0.2
69.81212	0.1
69.81533	0.8
71.01266	2.5
71.04892	0.2
72.99200	0.2
73.02835	0.3
80.02576	1.1
81.03343	1.1
83.01266	0.3
83.04915	4.6
84.02060	0.5
84.05254	0.1
85.02843	0.6
87.00777	0.4
89.02340	1.9
91.86266	0.1
93.03371	0.1
95.01264	0.1
95.04927	0.7
95.86949	0.1
97.02831	0.2
97.06484	0.2
98.19828	0.2
99.00770	0.2
101.02345	2.1
109.06498	0.2
111.08057	0.1
113.02355	1.2
119.03429	0.6
125.02402	0.2
125.05991	0.5
127.07596	0.2
131.03423	0.2
135.08104	0.7
142.21916	0.1
143.03453	0.3
146.01503	0.1
147.11710	0.2
161.04494	0.8
163.11230	3.3
164.11539	0.1
165.12801	2.0
170.84955	0.1
179.05615	0.4
181.12311	0.6
184.90707	0.1
191.10796	0.7
209.11815	100.0
210.12151	5.8
210.14262	0.2
211.13385	0.3
225.11278	0.3
227.12891	10.9
228.13165	0.7
235.08243	1.3
253.09297	7.1
254.09624	0.2
277.21771	50.0
278.22113	4.8
445.20908	1.2
463.21957	0.2
670.40656	0.1
716.05634	0.1
723.42432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4339
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
57.03331	1.2
59.01258	8.3
61.98705	1.6
69.37436	1.0
70.18579	0.9
71.01267	4.7
71.51914	1.3
73.02836	1.3
83.04878	1.0
85.02834	1.3
87.00778	1.0
89.02326	2.9
97.02858	1.2
101.02339	5.8
109.06486	2.7
113.02349	1.9
123.54372	0.9
161.04478	1.4
161.49742	1.1
163.11226	1.3
164.11491	1.2
165.12804	5.3
183.13866	100.0
184.14195	4.6
199.05057	0.9
207.10233	7.3
208.10649	4.7
209.11949	6.8
225.11272	3.6
226.11642	1.1
227.12962	5.9
235.08267	3.8
236.08554	1.0
253.09309	7.0
254.09697	1.3
277.21771	50.6
278.22131	16.6
279.22446	6.5
442.58212	1.0
445.20483	2.6
462.21042	1.6
463.21951	3.9
499.96283	1.1
723.43292	81.4
724.43762	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	723.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.2
57.03329	0.2
58.00470	0.1
59.01263	2.9
61.98689	0.2
71.00626	0.3
71.01264	2.5
71.04890	0.2
72.99197	0.1
73.02837	0.3
74.75539	0.1
80.02549	1.0
81.03349	1.2
83.01286	0.4
83.04915	4.2
84.02058	0.7
85.02840	0.6
87.00771	0.4
89.02337	1.9
95.01287	0.2
95.04935	0.5
97.02886	0.2
97.06450	0.2
99.00758	0.2
101.02336	1.7
109.06493	0.3
113.02349	1.0
119.03435	0.4
125.06012	0.5
125.09654	0.1
127.07570	0.2
131.03421	0.1
133.05046	0.1
134.12288	0.1
135.08076	0.5
140.89447	0.1
142.94344	0.1
143.03464	0.3
147.11775	0.1
149.46523	0.1
159.43901	0.1
161.04507	1.0
163.09839	0.1
163.11224	3.1
164.11572	0.2
165.11578	0.2
165.12822	2.0
166.13203	0.1
179.05547	0.5
181.12321	0.7
191.10748	0.9
199.13348	0.1
209.11813	100.0
210.12151	6.1
227.12886	10.1
228.13147	0.7
233.22774	0.2
235.08197	1.4
251.12962	0.1
253.09309	7.2
254.09683	0.4
259.20761	0.1
275.20270	0.2
277.21768	49.7
278.19040	0.3
278.22116	5.3
324.49835	0.1
335.26572	0.1
351.16483	0.1
445.20856	1.2
446.21466	0.1
463.21689	0.2
513.30768	0.1
534.75293	0.1
539.41071	0.1
723.43237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.3
57.03325	0.8
59.01265	6.9
61.98708	0.2
63.99887	0.2
69.03334	0.3
70.09929	0.7
70.42194	0.2
71.01267	5.8
72.99203	0.5
73.02827	1.4
76.55378	0.2
81.03361	0.4
83.01289	0.7
83.04917	0.9
85.02846	1.6
87.00776	1.5
89.02340	3.3
95.01289	0.6
97.02863	0.4
97.06501	1.3
101.02344	5.2
101.03006	0.3
111.08076	1.8
113.02356	2.9
115.03957	0.3
119.03409	0.8
127.07536	0.3
137.09691	0.2
143.03429	0.3
145.04971	0.8
161.04492	1.7
163.11217	0.5
165.12798	10.5
166.13194	0.5
179.05609	0.6
183.13870	72.5
184.14220	4.0
209.11821	3.8
211.48723	0.2
227.12880	4.9
233.22688	0.7
235.08247	2.4
244.67630	0.2
251.21359	0.2
253.09308	6.3
254.09552	0.3
259.20602	0.5
275.20209	0.4
277.21777	100.0
278.22122	9.2
419.23044	0.3
445.20840	2.1
463.22034	2.1
499.82532	0.2
503.03101	0.2
513.30493	0.4
705.42645	0.5
723.43390	84.1
724.43738	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	723.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	15.0
59.01264	8.5
61.98719	12.9
63.02280	2.8
65.00209	12.5
66.00555	0.7
70.20301	2.4
70.61169	0.6
71.01280	6.3
72.46785	0.6
72.99203	1.4
73.02836	1.1
81.03350	2.0
83.01272	6.7
85.02847	2.3
87.00763	1.5
87.04432	0.7
89.02348	2.6
93.03350	4.7
95.01272	0.8
96.95940	2.0
97.02848	1.4
99.00764	1.5
99.04401	3.3
101.02345	7.0
107.01293	21.9
108.02112	1.8
108.23327	0.7
109.02896	1.7
113.02367	2.7
117.03375	1.7
119.04942	38.5
120.05285	1.6
121.02882	2.1
123.00790	1.0
123.04411	4.5
125.02370	13.6
133.02899	1.2
135.04442	2.2
136.01604	1.2
136.98705	1.5
137.02371	2.1
142.99791	2.0
143.03372	1.0
143.04956	0.7
145.02884	6.2
147.04439	1.2
149.02371	3.4
151.00308	100.0
152.00600	3.3
153.01932	1.5
160.03975	1.4
161.02409	2.0
161.04579	1.1
161.06004	1.5
163.03993	2.0
164.01048	1.0
164.04799	1.2
164.98289	5.9
165.01860	3.6
165.98965	0.8
166.02715	0.9
167.03448	10.9
169.01382	2.5
175.00346	3.2
175.03943	1.4
177.01869	9.9
179.03467	2.1
181.04918	0.8
185.05965	2.0
187.03975	2.9
187.07573	2.7
190.02728	1.0
191.03407	1.3
193.01395	2.3
193.05092	1.0
202.06279	1.4
203.07037	0.9
205.01268	1.0
205.05093	1.3
209.04543	1.5
215.07143	6.0
217.01375	1.0
222.73543	0.7
223.06178	2.6
227.07162	2.1
231.10368	0.9
235.02646	1.5
241.05177	1.0
247.09805	1.0
257.04535	0.8
258.37079	0.8
269.04559	1.1
270.57846	0.7
271.06174	57.9
272.06534	4.0
283.06140	1.2
285.04077	8.4
286.04492	1.0
295.08383	1.0
299.05624	1.0
313.06955	1.7
327.12173	1.2
335.05566	1.0
339.07397	2.6
339.12363	1.6
365.10297	0.9
415.14679	1.2
459.11566	6.5
470.14529	0.9
475.14679	5.7
501.12549	3.5
559.15063	2.0
579.17285	81.1
580.17694	9.7
593.15668	1.0
594.16089	5.0
621.18378	38.1
622.18604	4.9
633.20105	1.1
647.19580	1.2
661.21179	8.2
662.22015	1.7
663.22290	0.8
673.21503	1.0
691.22473	3.6
723.21350	14.6
724.21667	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	723.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63643	0.3
57.03331	0.9
59.01264	9.4
59.30720	0.4
59.68839	0.3
61.98717	10.1
65.03848	1.0
67.40591	0.4
71.01274	3.5
71.44003	0.6
73.02827	0.9
74.02365	0.5
75.00755	0.6
78.72063	0.3
80.96390	0.4
83.01274	0.9
85.02850	1.2
87.00733	0.6
89.02310	0.9
91.05424	3.4
93.03339	1.0
95.01254	0.5
96.95927	1.8
97.02848	0.4
98.09523	0.4
99.00784	0.4
99.04449	0.6
101.02337	2.0
106.22313	0.4
108.02084	1.7
109.02864	19.0
113.02331	1.2
121.02878	8.7
123.04411	0.5
125.02374	2.4
128.03519	0.6
133.02892	1.2
134.03651	0.5
135.04446	47.8
136.04773	1.8
137.02391	0.8
143.04588	0.5
147.04446	7.0
149.06030	0.8
151.00299	0.9
159.04466	1.6
161.02507	0.4
163.07587	0.5
164.04654	0.6
165.05562	0.5
166.05016	0.5
175.07605	0.8
177.09244	0.5
187.07648	0.5
189.05484	0.6
189.09151	0.9
191.10770	1.9
192.11110	0.5
193.04982	0.5
199.07671	0.4
201.09161	0.8
202.09988	1.0
209.04424	0.4
215.10759	0.9
217.12360	5.8
239.07082	0.6
247.09785	0.5
254.07991	0.5
255.06801	0.6
256.11066	0.6
269.04803	0.6
269.08286	0.9
281.08130	2.3
297.15152	0.5
306.12543	1.0
309.11450	1.5
321.14859	1.2
324.13678	1.2
328.10397	0.4
339.16064	100.0
340.16415	10.6
395.11380	2.9
475.30859	0.5
501.21451	29.4
502.21674	5.6
553.34143	0.5
679.41400	0.5
699.85687	0.4
723.22205	1.5
723.40875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.0
59.01265	5.3
61.98716	7.9
65.00212	0.6
69.03316	0.5
71.01270	5.5
71.56588	0.7
72.99187	0.7
73.02845	1.2
75.00773	0.7
78.95840	0.5
81.03340	0.4
83.01273	2.0
85.02841	2.3
86.60670	0.4
87.00780	1.5
88.98693	0.7
89.02356	1.9
93.03355	3.6
95.01283	0.5
96.95923	1.2
97.02817	0.5
99.00787	1.1
101.02340	2.0
107.01283	0.6
108.02076	0.7
109.02866	1.5
109.71616	0.4
113.02351	2.0
116.92839	0.5
117.03373	20.4
118.03689	0.8
119.03383	0.5
119.04963	1.5
121.02869	1.8
123.04444	1.4
125.02370	2.4
133.02882	0.8
134.03636	0.5
135.04459	2.9
137.02373	1.0
137.06033	0.4
145.02895	1.5
147.04449	2.5
149.02385	5.7
149.06046	0.4
150.03099	0.4
151.00301	2.3
151.04007	0.4
152.01065	1.2
153.01904	0.4
159.04474	1.2
160.03955	1.4
161.02409	3.8
161.04478	1.1
161.05838	0.4
163.03918	2.7
164.04738	4.6
165.01926	0.6
165.05501	0.5
167.03441	1.7
173.02397	12.2
173.06041	0.4
175.00278	1.2
175.03946	0.8
177.01974	0.5
177.05548	0.8
179.03423	0.7
179.07039	0.5
185.02422	3.2
186.02936	0.5
187.00270	0.5
187.03989	3.4
187.07687	1.1
189.01903	6.6
190.02632	1.7
191.03474	0.8
193.05058	1.0
195.06503	0.5
197.02484	3.0
201.01868	0.7
201.11241	0.6
203.03493	1.0
205.05019	1.9
208.03685	0.5
209.11816	1.3
215.03464	7.1
215.07146	1.1
217.01454	5.2
221.04391	0.4
222.43279	0.4
223.06113	9.5
223.07846	0.4
227.03490	0.6
229.01418	0.5
235.07809	0.9
241.01443	2.1
245.04898	0.6
251.07181	0.8
259.09906	0.5
261.05557	0.9
263.07208	1.0
265.05167	0.6
269.04547	0.6
271.02518	0.5
279.06659	1.1
283.06076	0.5
285.03967	0.7
289.05203	0.8
291.06610	0.6
293.04715	2.1
293.07861	0.5
301.10880	0.6
305.04657	8.4
306.05347	8.0
307.06183	12.9
308.06625	1.1
309.04163	0.4
311.05768	0.6
317.04700	0.5
321.04068	0.5
323.05780	0.9
334.04984	0.4
335.05679	89.7
336.06006	8.0
337.07001	0.7
338.04468	1.6
349.07144	0.4
355.12213	0.6
365.06583	2.7
365.10413	0.4
367.10229	0.4
377.06818	0.9
395.07666	2.0
455.09921	95.8
456.10257	11.5
475.14001	0.5
485.11032	0.6
525.30353	0.5
575.14185	100.0
576.14496	14.5
661.21942	0.5
691.22620	0.7
723.19977	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	721.4187
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
55.01780	0.3
56.26461	0.2
57.03339	0.5
58.00507	0.3
59.01265	14.4
61.98708	0.4
65.03842	0.3
68.73550	0.2
69.03346	0.4
71.01270	5.6
71.03724	0.2
71.04924	0.3
71.54720	0.4
72.99200	0.6
73.02832	0.9
75.00762	0.2
80.02566	1.4
81.03345	2.2
83.01280	0.9
83.04918	3.0
85.02863	1.6
87.00772	1.1
88.70344	0.2
89.02338	4.0
93.03370	0.8
95.01289	0.5
95.04931	0.7
97.02848	5.8
97.06501	0.4
99.00791	1.1
101.02348	5.0
106.04132	0.6
107.04947	0.9
109.02830	0.3
109.06503	35.0
110.03652	1.2
110.06836	1.1
111.00784	0.6
112.91579	0.2
113.02366	2.6
119.03426	1.4
121.06495	1.9
123.04430	0.3
125.09689	0.5
133.05022	0.3
135.08086	3.8
136.05223	1.4
142.02676	2.4
143.03484	0.6
145.04878	0.3
145.10095	0.6
151.07561	0.3
161.04506	1.7
161.09647	2.0
163.11230	17.7
164.11530	0.8
165.09073	0.3
179.05615	0.8
179.10698	0.9
181.12291	4.0
182.12715	0.3
189.09181	2.7
190.09702	0.4
197.11789	0.4
207.10254	100.0
208.10580	5.8
209.11835	1.1
221.11868	0.3
225.11325	35.7
226.11601	1.6
233.22917	0.3
235.08240	2.5
243.12445	1.0
253.09332	12.7
254.09625	0.6
255.23381	0.3
277.21783	72.0
278.22134	5.8
281.14023	0.8
299.15161	1.7
423.32770	0.8
441.34079	1.9
442.34528	0.3
443.19385	4.8
444.19318	0.6
461.20392	11.4
462.20758	0.9
467.31757	0.5
485.32654	0.8
559.37158	0.3
703.40662	1.1
721.41803	33.8
722.42340	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94147	0.4
54.41061	0.4
55.01762	1.1
55.33813	0.4
57.03329	0.9
58.00487	2.1
59.01265	33.2
60.01573	0.5
61.98708	0.4
68.99712	0.5
69.03327	1.4
71.01270	27.3
72.01600	0.5
72.99216	2.4
73.02834	4.8
75.00752	0.7
81.03321	1.1
83.01279	3.0
84.48958	0.4
85.02837	6.0
85.99963	0.5
87.00769	5.9
89.02337	25.4
95.01288	1.9
95.04917	0.4
97.02848	4.1
98.20555	0.9
99.00786	2.1
101.02349	22.7
109.02851	0.7
111.04411	0.9
113.02354	10.7
114.02635	0.4
119.03409	7.3
121.02863	0.6
123.04458	0.5
125.02367	8.6
131.03410	1.2
133.04997	0.8
135.04465	0.4
139.03864	0.9
141.01814	0.5
143.03439	4.1
149.04510	0.9
151.03860	0.5
161.04491	4.1
167.03506	0.6
169.05043	0.5
179.05603	4.4
181.95000	0.4
209.11775	1.0
217.07210	0.4
221.06665	1.6
235.08229	11.1
245.06570	0.6
253.09288	2.5
263.07858	0.9
277.21774	70.7
278.22086	5.4
287.07791	3.4
299.84116	0.4
305.08734	3.4
323.09891	1.1
379.12552	0.9
397.13586	100.0
398.13980	6.6
398.18637	0.3
404.25970	0.5
415.14651	32.8
416.14993	1.5
471.47961	0.4
675.36237	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	721.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.5
57.03337	0.5
59.01264	7.9
60.53210	0.3
61.10324	0.3
61.98729	0.3
71.01271	5.3
71.49917	0.4
71.64061	0.3
72.99203	0.5
73.02827	1.1
75.00771	0.3
75.94360	0.3
76.86664	0.4
78.91699	0.3
80.02567	0.4
81.03360	1.3
83.01270	0.8
83.04916	1.5
85.02853	1.7
87.00766	0.9
89.02329	2.4
95.01299	0.4
97.02849	4.6
99.00751	1.1
99.04474	0.4
101.02355	3.6
101.68549	0.3
107.04938	0.6
109.06494	14.4
110.03603	0.6
110.06872	0.5
111.04385	0.3
113.02356	1.9
114.07510	0.3
119.03438	0.4
119.32058	0.3
121.06512	0.9
125.02317	0.3
129.01831	0.5
135.08080	1.8
136.05252	1.0
142.02617	1.2
145.04999	0.9
145.98500	0.3
161.04506	1.9
161.09641	1.0
163.11246	9.2
179.10751	0.8
181.12297	1.5
189.09148	2.5
194.13075	0.4
205.19533	0.4
207.10249	56.4
208.10588	3.0
209.11842	1.2
215.74123	0.3
225.11317	16.4
226.11591	0.7
235.08226	6.1
253.09312	10.8
254.09692	0.3
255.23401	0.4
275.20282	0.4
277.21774	100.0
278.22119	7.8
281.13959	0.4
299.15173	0.5
441.33707	0.8
443.19235	2.9
461.20303	4.4
467.31827	0.7
485.33206	0.5
513.31110	0.5
514.49091	0.4
559.36731	0.5
703.40973	1.4
704.41022	0.4
721.41809	29.7
722.42261	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	721.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31182	0.3
51.41234	0.3
55.01772	0.5
57.03331	3.2
58.00467	1.1
59.01263	30.5
60.01604	0.6
61.98708	1.7
62.68739	0.3
64.37672	0.3
69.03310	0.5
70.47269	1.3
71.01268	20.5
71.04904	0.4
72.01575	0.4
72.99189	2.1
73.02842	2.4
75.00761	0.4
81.03347	0.4
83.01280	2.3
83.04926	0.4
85.02841	18.6
86.03182	0.4
87.00764	2.3
89.02335	20.3
93.03342	0.9
95.01282	2.6
96.95921	1.7
97.02840	0.5
99.00781	1.3
99.04412	0.7
101.02354	14.2
101.05989	0.4
103.00271	0.6
103.03912	30.6
104.04255	0.5
107.01298	0.4
108.02044	0.7
109.02867	0.8
111.00790	0.9
113.02361	9.8
114.02670	0.5
115.00220	0.5
116.92780	0.7
117.03329	0.4
117.05508	0.6
119.03421	8.0
119.04852	0.6
121.02898	0.4
121.05000	0.6
123.04411	0.6
125.02350	2.1
127.00285	0.7
127.03922	1.7
128.03439	0.4
131.03445	0.7
135.04472	0.5
137.02306	0.7
137.06085	0.4
139.00305	0.7
143.03432	1.3
145.05003	1.2
149.02402	0.9
149.04471	0.8
150.03110	0.3
151.00322	0.8
152.01100	1.3
152.20815	0.3
153.01857	0.9
161.02374	0.7
161.04460	2.2
163.03922	0.5
163.05963	0.5
164.04778	0.4
165.01845	0.6
165.05495	0.6
167.03473	0.6
175.02545	0.4
177.01923	0.4
179.05614	1.9
179.06935	0.5
189.12865	0.5
213.36348	0.3
214.60703	0.4
221.31287	0.4
223.06102	0.8
247.08232	1.0
257.09146	0.3
265.09332	100.0
266.09634	4.0
267.07031	0.5
269.04578	0.9
271.06171	0.4
275.07922	0.4
281.08871	1.3
283.10458	2.2
285.04279	0.4
289.09244	1.7
293.04721	0.5
315.07251	0.8
320.61594	0.3
333.08331	22.3
334.08636	1.5
335.05698	0.7
349.07571	0.5
351.09351	3.0
393.10535	1.0
425.08841	1.2
437.12927	0.4
437.18051	2.3
453.17166	0.7
455.18732	0.5
497.20428	0.5
545.13086	1.0
547.14001	0.5
721.29474	28.1
722.30206	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	717.243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
61.70109	1.6
61.98723	3.7
78.95789	4.6
147.47507	1.5
209.11780	2.2
237.24889	1.8
277.21967	2.5
278.22034	1.8
373.93286	1.6
458.32034	1.8
467.13147	2.6
481.11746	3.6
495.17004	3.0
496.14029	14.1
497.14478	7.8
498.15591	4.5
510.15421	2.8
511.16367	7.0
513.17841	2.2
528.12982	2.2
539.19171	1.9
544.16479	4.8
545.16321	2.3
567.18848	9.3
571.18195	10.4
598.20453	2.7
599.21558	27.0
600.21698	5.4
602.17035	3.4
631.20203	2.5
657.22644	13.0
658.22577	3.1
717.24353	77.2
718.24677	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08594	0.7
59.01263	5.8
69.32785	0.8
70.64655	1.8
71.01273	3.2
85.02856	1.0
89.02331	7.0
101.02343	1.7
113.02345	2.2
119.03410	2.4
153.75935	0.7
162.07178	0.8
179.05573	2.8
215.03304	4.4
247.01558	0.7
341.10941	20.9
342.11258	1.7
377.08615	100.0
378.08975	6.9
650.67151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.2
55.40517	0.7
56.67918	0.6
57.03333	3.3
58.00468	0.8
59.00996	1.0
59.01268	15.8
61.98716	22.9
69.03342	5.9
71.01268	11.6
71.04908	2.3
72.99202	0.8
73.02834	3.7
74.86397	0.5
75.00787	1.2
78.95798	0.9
81.03357	2.4
82.84041	0.6
83.01286	2.7
83.04913	6.6
84.02051	1.9
85.02851	3.6
87.00783	2.6
88.98705	1.7
89.02345	6.4
93.03355	1.3
95.01292	1.0
95.04926	0.9
96.95905	4.3
97.02869	1.2
97.06493	1.3
98.19778	1.8
99.00790	1.8
101.02344	8.6
108.02070	1.0
109.02860	1.4
109.06493	0.8
111.04440	0.9
113.02364	5.5
116.92790	1.4
119.03422	2.0
119.04913	0.9
120.79978	0.5
121.02869	0.8
123.04448	1.1
123.08060	1.8
124.01566	1.1
124.21986	0.6
125.02368	7.8
125.06004	1.0
125.09647	2.9
134.03667	2.6
135.04465	1.7
135.08066	1.1
137.02339	1.3
137.79424	0.6
139.03976	0.8
143.03407	1.4
146.71294	0.7
147.04480	1.0
149.02376	1.1
149.04457	0.6
149.06081	0.9
151.00291	0.9
151.11217	3.5
153.12799	2.0
161.04498	2.5
161.09677	4.7
163.11226	5.1
164.04707	1.2
165.05545	1.2
165.12796	3.4
171.10178	1.0
179.05618	1.2
179.07185	0.7
179.10762	9.2
180.11064	0.7
181.12286	1.0
191.10786	1.6
193.04999	4.0
197.11810	72.4
198.12157	3.8
205.05006	1.5
207.10252	0.6
209.11816	74.2
210.12143	4.1
211.13493	0.7
223.06180	0.8
223.09808	1.3
227.12904	5.5
235.08156	0.7
241.10727	3.2
253.09238	3.5
281.08020	0.6
315.07468	0.7
335.22406	0.8
389.24063	0.7
395.11472	5.9
396.11792	1.0
459.19119	1.1
477.19928	2.2
582.45807	0.7
628.30731	0.7
629.69574	0.6
659.39990	1.9
675.39618	1.0
687.32489	100.0
688.32770	19.5
688.44141	1.3
702.80988	0.8
707.11566	0.8
719.35297	30.9
720.36035	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	717.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91008	0.6
57.03339	23.1
59.01263	11.7
61.98711	9.3
71.01279	3.7
71.59660	1.0
73.02832	1.3
75.00755	1.1
81.03367	1.0
83.01274	0.8
83.11355	0.7
85.02844	1.9
87.00777	1.4
88.98689	2.0
89.02319	1.3
96.95860	0.8
99.00753	0.9
99.04418	10.4
101.02357	4.8
101.88264	0.8
102.93640	0.6
103.66323	0.7
109.02841	0.8
113.02254	0.7
116.92758	6.2
121.02824	1.1
124.80465	0.7
125.02386	9.9
126.02640	0.7
133.02908	1.2
135.04417	1.7
148.01553	3.2
154.08669	1.6
161.02364	0.9
163.03978	0.8
165.05466	0.9
175.03865	1.2
179.24803	0.7
209.11833	1.3
215.03606	1.1
267.06790	1.2
279.06638	1.2
281.04343	1.0
283.06128	1.0
287.05569	0.8
307.06271	1.6
309.04330	0.7
319.06390	1.1
321.11411	0.8
323.05569	2.5
323.09363	1.3
335.05707	1.7
337.07266	0.9
337.10916	2.3
340.06018	0.8
349.06992	0.9
349.10828	7.6
351.08713	1.4
351.12769	0.8
353.06708	2.1
363.12488	1.4
365.10464	1.1
366.11176	1.2
367.08350	1.2
367.11963	18.1
368.12296	2.2
377.10370	1.9
378.11285	2.1
379.11841	5.0
380.12674	2.1
381.13614	5.6
391.11893	3.9
392.12210	1.9
395.11435	22.0
396.12177	30.3
397.12628	3.3
409.12994	16.9
410.13712	21.4
411.14557	42.6
412.14951	5.0
451.14148	1.6
454.16592	0.9
469.18704	2.9
470.18866	1.0
555.18689	6.1
573.19885	100.0
574.20215	16.4
597.19812	0.9
615.20984	70.9
616.21277	10.7
673.38818	2.3
689.73688	0.9
717.26868	1.5
717.39679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32470	0.6
52.91491	0.6
57.03339	26.8
59.01268	14.4
61.98719	12.1
63.46379	0.7
71.01279	3.5
71.51316	0.6
72.99181	0.8
81.03374	1.0
83.01279	1.1
85.02836	1.7
87.00765	4.6
88.98684	1.6
89.02341	1.1
99.00799	1.4
99.04421	12.9
101.02331	3.8
107.04943	0.7
109.02878	1.0
111.12289	0.6
113.02371	2.0
116.92769	1.0
119.03426	0.8
119.04935	1.1
121.02873	1.4
123.04400	0.7
125.02374	8.1
130.99805	0.7
135.04370	0.8
148.01624	3.5
149.05978	0.9
155.67761	0.7
161.02444	0.9
161.04492	1.1
163.03967	1.1
165.05533	1.0
175.03989	1.0
180.06102	0.7
201.01776	0.8
209.12003	1.1
211.13477	0.6
215.03494	1.2
215.19308	0.6
247.09766	1.2
253.09206	0.9
265.05029	0.8
279.06635	0.8
293.04556	0.7
307.06195	1.5
309.03674	0.8
311.05753	0.9
323.05658	3.0
323.09113	1.5
325.07346	1.4
335.05606	2.0
337.07269	1.0
337.10931	2.6
340.05658	1.2
341.06613	0.7
349.10873	5.2
350.11566	1.1
351.12561	1.3
353.06677	2.2
355.08075	0.8
363.12506	1.7
365.10358	1.9
367.08551	1.1
367.11966	19.8
368.12262	2.6
377.10422	2.8
378.10980	1.3
379.11917	3.3
380.12732	3.3
381.09747	1.1
381.13678	6.2
391.11981	4.7
392.12561	2.0
393.13385	1.4
395.11435	22.8
396.12177	37.7
397.12643	5.7
409.13034	18.4
410.13684	19.8
411.14557	54.0
412.15021	5.8
439.13837	1.1
469.17715	1.2
519.20447	0.8
555.18787	7.8
556.19342	1.6
573.19897	100.0
574.20239	16.5
615.20935	70.2
615.31543	0.7
616.21228	12.3
655.24103	0.9
657.38660	1.6
673.41962	1.1
698.96320	0.7
717.24719	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	42.3
58.03690	0.7
59.01272	3.4
60.80582	0.3
61.98717	1.5
69.61733	1.6
71.01273	0.8
72.27559	0.3
72.80714	0.3
79.54642	0.3
81.03350	0.9
81.24577	0.3
83.01286	0.7
99.04418	8.8
100.04776	0.3
101.02339	5.7
125.02358	4.0
132.02124	0.3
133.02869	0.8
135.04420	0.4
137.20790	0.3
147.04453	0.4
148.01599	6.4
149.32283	0.3
161.02371	0.3
171.10263	0.5
174.03149	0.4
175.03983	0.9
189.01939	0.4
201.01964	0.3
203.10699	0.6
215.03506	0.7
216.85408	0.3
227.03491	0.5
227.07123	0.3
231.06636	0.4
239.07077	0.5
240.04294	0.7
241.04974	0.4
243.06683	0.4
245.04601	0.4
247.09816	1.1
251.07204	0.5
253.05017	0.5
254.05762	0.4
257.08228	0.8
265.05139	0.4
267.06641	1.4
268.07227	0.3
269.04367	0.4
279.06696	2.1
281.04532	1.1
281.07925	0.3
282.05298	0.7
283.06326	0.5
284.06711	0.4
291.06787	0.9
294.05338	0.6
295.06140	0.9
295.09714	0.3
297.04324	0.5
297.07458	0.6
299.05765	1.0
305.08536	0.5
307.06409	1.7
307.09607	0.5
309.04117	1.3
309.07730	0.8
309.11050	0.4
310.04666	0.7
311.05634	1.3
312.06244	0.5
321.11380	1.2
323.05649	4.5
323.09357	2.0
324.06171	0.7
325.07303	1.7
328.05695	0.4
333.11389	0.5
335.05658	2.7
336.06137	0.4
337.07190	1.0
337.10965	3.0
339.12360	1.3
340.06021	1.1
341.06696	0.9
349.06976	0.5
349.10840	6.8
350.11380	1.1
351.08774	2.3
351.12558	0.9
353.06689	3.0
353.10529	1.1
355.08246	0.7
363.12497	1.4
365.10391	1.1
366.11035	0.6
367.08325	1.1
367.11984	16.0
368.12357	1.9
377.10312	2.2
378.11121	2.4
379.11960	3.4
380.12781	2.2
381.09778	0.7
381.13766	3.4
382.14130	0.6
391.12048	3.9
392.12564	1.5
393.13339	0.8
395.11438	17.0
396.12201	63.7
397.12579	7.7
409.13000	12.4
410.13739	12.9
411.14566	100.0
412.14935	11.2
425.12671	0.5
478.89063	0.3
555.18781	2.2
573.19891	54.9
574.20154	8.9
597.19891	0.8
615.20947	71.7
616.21313	11.8
655.24115	1.3
657.21832	0.6
717.24121	24.2
718.24432	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	716.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61220	0.1
59.01262	0.6
60.01598	0.1
61.98717	100.0
62.98426	0.3
62.99154	0.1
70.89489	0.1
71.01284	0.4
71.51762	0.1
85.02867	0.1
89.02333	0.4
98.24911	0.1
101.02374	0.3
103.02770	0.1
113.02322	0.1
119.03512	0.1
119.04942	1.4
125.02338	0.1
141.21939	0.1
175.44550	0.1
234.11385	1.6
235.08278	0.1
235.11719	0.1
236.08575	0.1
237.09027	0.1
239.47531	0.1
247.66739	0.1
255.23322	0.4
256.23666	0.6
257.24060	0.3
258.24301	0.2
397.13632	0.4
398.13983	0.4
399.14139	0.8
400.14417	0.5
416.15067	0.1
417.15128	0.2
418.15497	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.4
59.25212	0.1
61.98717	100.0
62.98413	0.2
62.99133	0.1
70.08368	0.2
71.01266	0.5
71.26135	0.1
72.01573	0.1
73.02837	0.1
79.25805	0.1
85.02851	0.1
86.22591	0.1
87.00807	0.1
89.02332	0.4
101.02349	0.3
102.02708	0.1
103.02785	0.1
113.02363	0.1
125.02403	0.1
174.74161	0.1
242.04735	0.1
255.23300	0.4
256.23697	0.6
257.24173	0.2
258.24533	0.1
306.09344	0.1
397.13577	0.3
398.13971	0.6
399.14120	1.0
400.14407	0.5
404.66168	0.1
415.14655	0.1
416.15189	0.1
417.15338	0.3
418.15567	0.2
656.38788	0.2
682.48669	0.1
717.24072	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	715.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	47.1
59.01262	16.3
61.85618	0.4
61.98421	0.7
61.98714	7.9
70.09988	1.5
71.01272	6.7
72.99198	0.4
73.02832	2.3
74.30613	0.4
75.00742	0.5
78.95792	0.6
80.74412	0.4
81.03348	1.6
83.01285	1.7
85.02834	3.2
87.00778	1.0
88.98719	0.7
89.02344	2.7
93.03362	0.6
95.01288	0.8
96.95935	2.0
97.02879	0.6
99.00772	1.0
99.04418	34.0
100.04764	0.5
101.02345	14.8
107.04919	0.5
109.02875	1.0
109.06505	0.7
111.00794	0.8
113.02354	2.5
119.03406	0.6
119.04887	0.6
123.00822	0.6
123.04437	0.6
125.02365	23.1
126.02685	0.6
131.05005	0.5
132.02065	0.6
135.04495	0.6
137.02348	0.9
143.03468	2.4
145.02867	0.9
148.01595	0.6
149.02333	1.2
149.06030	0.7
151.00311	1.2
151.03888	0.4
155.49855	0.4
161.02356	0.7
161.04469	1.1
162.94569	0.4
163.03836	0.5
164.04662	0.4
167.07047	0.4
173.02399	0.4
187.07664	0.5
201.05524	0.6
202.02695	0.7
203.03406	0.5
211.13399	0.6
215.07158	0.5
217.08611	0.6
229.05110	0.7
241.05138	0.7
253.05028	0.7
255.06665	0.9
256.07321	1.0
267.06808	1.0
268.07373	0.6
269.04529	0.5
281.04782	0.5
285.04248	0.4
285.07727	0.7
286.08609	1.2
291.10284	0.9
292.10620	0.4
293.04614	1.0
295.06180	1.2
296.06805	1.2
297.07724	0.5
305.08667	1.2
307.09860	0.6
311.05688	0.7
312.06326	0.4
319.09674	1.1
320.10590	0.5
321.07693	1.0
323.05768	1.0
329.23367	0.6
330.23807	1.1
335.09341	2.0
336.10095	1.5
337.10925	1.0
347.09308	2.0
348.10086	1.9
349.07172	0.7
349.10843	1.2
360.10092	1.3
361.11072	0.7
363.08817	1.3
364.09717	1.2
365.10309	2.1
366.11203	4.0
367.11725	0.6
376.09558	0.9
377.10352	0.8
378.11221	5.2
379.11865	1.9
391.11551	0.6
393.09964	1.9
394.10666	24.4
395.11057	2.3
408.12155	0.8
409.13000	100.0
410.08362	0.9
410.13400	9.9
437.15948	1.1
537.21747	0.4
553.17389	1.4
571.18317	3.8
611.34363	4.3
613.19360	1.9
625.17926	0.4
629.35571	3.7
653.22589	0.8
671.23651	0.5
671.39728	4.1
715.27765	8.7
715.40002	0.9
716.27673	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	714.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
59.01265	3.6
61.98716	100.0
69.25578	0.4
69.25983	1.1
71.01261	1.1
72.99192	0.1
73.02834	0.5
75.00766	0.2
83.01271	0.4
83.04910	0.2
85.02850	0.6
87.00793	0.3
89.02345	0.4
93.03344	0.3
95.01303	0.2
96.95921	0.9
97.02869	0.1
99.00790	0.3
101.02315	0.8
107.04911	0.1
108.02074	0.4
109.02858	0.3
109.06499	0.2
113.02339	0.6
119.03435	0.3
119.04940	0.3
121.02850	0.2
123.04470	0.2
125.02370	0.7
129.10632	0.2
134.03671	0.2
135.04460	1.0
136.04970	0.1
137.02362	0.2
151.00319	0.3
152.01044	0.3
153.01895	0.3
153.05476	0.2
156.98833	0.1
161.02315	0.3
161.04463	0.2
163.03946	8.9
164.04335	0.4
165.05554	0.2
178.06302	10.5
179.06744	0.6
193.08672	24.6
194.08981	1.0
198.27682	0.1
203.07115	0.2
207.10020	0.1
234.92575	0.2
311.05463	0.2
369.09833	0.2
403.17682	3.1
404.18356	0.4
409.12399	0.2
433.89648	0.2
611.37512	0.2
623.11896	0.2
653.35413	0.2
669.38873	0.3
713.38733	0.3
714.26019	0.3
714.37543	0.6
715.26013	0.6
715.39044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	8.0
60.57795	0.9
61.98710	2.3
63.06388	0.8
64.38145	0.8
68.93879	0.8
71.01264	4.9
71.51527	1.6
72.60255	0.8
72.99178	1.4
85.02857	1.9
89.02336	1.4
91.06141	0.7
93.03362	16.6
95.01300	0.9
96.95894	0.8
101.02341	1.5
108.02079	2.0
115.34364	0.8
116.92780	1.0
117.03358	7.2
125.02365	2.3
137.02371	14.4
151.04008	1.0
152.01077	1.7
154.50215	0.9
161.02322	1.5
173.02419	5.0
175.00339	9.5
177.01857	1.8
178.02081	0.9
269.04599	1.4
281.04672	2.2
283.06155	4.8
293.04630	100.0
294.05014	7.6
295.06445	0.9
311.05695	10.7
312.64993	0.8
315.07272	1.2
322.16055	1.0
323.05756	1.7
341.06616	2.0
413.08850	31.3
413.14471	1.5
414.09109	3.6
457.11285	1.8
577.15735	79.0
578.16077	13.1
629.21417	0.9
693.54230	1.1
715.25916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01264	2.5
61.98717	1.3
65.00211	0.3
65.03847	0.7
69.03339	0.2
71.01268	1.8
71.52034	0.2
72.99210	0.2
73.02834	0.4
75.00786	0.3
83.01273	2.5
85.02840	0.8
87.00784	0.4
88.98689	0.4
89.02349	0.4
93.03355	50.6
94.03687	1.7
95.01289	0.3
96.95925	0.2
97.02867	0.4
99.00801	0.3
99.04416	0.2
101.02345	1.6
105.74178	0.2
107.01282	0.3
108.02090	0.8
109.02847	0.5
110.76701	0.2
113.02330	0.8
114.01866	0.2
116.92811	0.3
117.03368	2.8
118.03734	0.2
119.03476	0.2
119.04951	0.6
120.05283	0.2
121.02860	0.3
122.02398	0.2
123.04451	0.3
125.02367	2.6
131.01344	0.1
134.03624	0.2
135.04424	0.3
137.02371	100.0
137.23125	0.1
138.02705	3.2
143.03342	0.2
145.02908	0.4
149.02361	0.4
151.00294	0.9
152.01129	1.0
153.01891	0.6
159.02864	0.2
161.02422	0.6
161.04465	0.4
163.03938	0.5
165.05453	0.2
167.03447	0.6
173.02376	1.7
175.00380	0.8
175.03931	0.2
177.01889	0.5
179.03539	0.2
185.02396	0.6
187.03999	0.6
189.01935	0.7
193.05040	0.3
195.06633	0.2
197.02432	0.4
215.03551	0.7
217.01508	0.8
223.06181	0.2
241.01506	0.4
245.06677	0.4
265.05011	0.2
271.06210	0.3
279.06778	0.2
283.06250	0.4
285.04251	0.2
293.04617	4.9
293.07840	0.3
294.05103	0.7
299.07864	0.6
305.04605	1.2
306.05298	0.9
307.06158	1.2
311.05728	0.5
315.07257	0.3
323.05731	0.3
335.05673	11.2
336.05981	0.9
341.08914	0.8
353.07193	0.2
365.06628	0.3
377.06717	0.2
395.07828	0.3
413.08865	4.6
414.09409	0.4
455.09927	11.5
456.10226	1.4
551.12012	0.2
575.14185	14.0
576.14417	2.0
593.15967	0.4
713.18469	2.3
714.18518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.476
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
59.01245	0.7
61.07273	0.2
61.21813	0.2
61.98714	0.4
71.01258	0.5
78.67912	0.2
83.04903	0.5
85.02834	0.3
87.00755	0.3
108.02047	0.4
117.58961	0.2
125.02331	0.4
137.02350	0.6
152.01122	0.5
152.73584	0.2
153.01749	0.3
161.02315	0.3
165.05501	0.2
166.05219	0.2
171.61943	0.2
209.08336	0.3
237.65453	0.2
335.06064	0.3
491.22745	0.2
549.72223	0.3
677.49487	2.6
678.49640	0.3
713.47516	100.0
714.47809	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00485	1.9
59.01263	26.1
61.98721	2.3
62.44529	0.6
69.03339	1.4
71.01268	21.9
71.58556	0.8
72.99200	1.8
73.02850	2.6
78.95795	0.9
81.03369	1.4
83.01285	2.5
85.02831	3.8
87.00776	3.7
89.02335	19.8
95.01300	1.6
97.02840	4.6
99.00772	1.6
101.02338	16.5
109.02841	1.1
113.02345	9.2
119.03410	5.9
121.02837	0.6
125.02377	7.8
131.03407	1.1
133.05022	1.0
135.04478	1.2
143.03423	3.0
152.99559	0.7
161.04495	3.9
165.88036	0.6
179.05557	5.4
192.50742	0.6
200.71109	0.6
221.06642	1.3
235.08255	9.2
243.53358	0.8
253.09395	1.8
253.21756	45.4
254.22180	3.9
277.21765	17.7
278.22177	2.8
287.07745	2.7
305.08984	3.4
323.09894	0.9
381.18732	0.7
387.25314	0.7
397.13571	100.0
398.13928	9.6
415.14633	28.3
416.14871	1.6
437.44916	0.7
605.46887	0.7
651.36346	4.0
652.36145	0.8
675.36255	3.7
711.33759	21.0
712.34424	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	713.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29024	0.2
52.39894	0.2
57.03333	0.7
57.34671	0.2
59.01260	2.1
61.98708	1.1
64.78872	0.1
65.00220	0.3
65.03848	0.6
68.99698	0.2
69.03349	0.2
69.52237	0.6
69.52666	0.8
71.01275	1.6
72.99187	0.3
73.02826	0.4
75.00726	0.2
83.01276	3.2
85.02835	1.0
87.00771	0.5
88.98675	0.5
89.02335	0.7
93.03357	54.1
94.03691	1.9
95.01318	0.2
96.95947	0.2
97.02857	0.5
99.04417	0.3
101.02353	1.3
103.01797	0.3
104.67467	0.2
107.01292	0.3
108.02054	0.5
109.02879	0.5
113.02359	0.8
116.92760	0.7
117.03371	8.0
118.03719	0.3
119.03437	0.2
119.04956	0.4
121.02863	0.7
123.04395	0.3
125.02372	2.5
126.02684	0.2
131.01271	1.3
133.02872	0.3
134.03667	0.4
135.04456	0.4
137.02373	100.0
138.02705	3.4
138.05513	0.3
145.02875	0.5
149.02362	0.5
149.05986	0.2
151.00327	0.6
151.03964	0.6
152.01140	0.4
153.01903	0.5
159.04437	0.2
161.02390	1.3
161.04503	0.5
163.03918	0.5
165.01854	0.3
165.05559	0.2
167.03442	0.8
173.02402	4.5
174.02780	0.3
175.00328	5.4
175.03848	0.2
177.01924	0.5
177.05501	0.2
181.05095	0.3
185.02446	0.5
187.03990	1.2
189.01859	1.1
191.03386	0.2
193.01373	0.8
193.06592	0.2
197.02400	0.6
201.01857	0.2
203.03510	0.3
209.06186	0.2
215.03493	1.5
216.03874	0.3
217.01422	1.0
218.01753	0.2
223.06129	0.3
237.05586	0.6
241.01361	0.3
245.04549	0.2
245.06721	0.3
249.05461	0.4
253.05127	0.4
261.05719	0.2
263.07214	0.4
264.04276	0.2
265.05060	1.1
269.04617	0.5
271.06113	0.3
278.05823	0.2
279.06647	0.4
282.05283	0.2
283.06192	0.8
284.06854	0.3
291.95062	0.2
293.04620	38.6
294.04947	3.8
295.06036	0.4
299.07776	0.7
303.21994	0.2
305.04630	1.9
306.05396	1.6
307.06131	2.6
309.04010	0.2
311.05621	1.2
323.05719	0.4
335.05679	17.1
336.06067	2.0
338.04355	0.4
341.08850	0.3
353.06720	0.3
365.06793	0.6
377.06879	0.3
383.07999	0.2
395.07822	0.5
413.08856	30.8
414.09198	3.7
425.10492	0.2
431.09824	0.3
455.09930	17.4
456.10245	2.3
463.98093	0.2
551.12366	0.7
551.30420	0.2
552.12573	0.3
575.14154	19.3
576.14441	3.3
583.64203	0.2
593.15265	0.7
646.50507	0.2
700.55560	0.2
713.17688	2.6
714.18280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03334	0.9
58.00476	1.2
59.01266	28.3
61.98711	1.0
65.00229	0.5
69.03343	1.2
70.16668	2.1
71.01270	24.5
71.01669	1.2
72.99201	2.4
73.02837	3.0
78.95802	0.6
81.03309	1.1
83.01285	1.9
85.02841	4.0
87.00764	4.2
89.02336	25.4
95.01280	1.6
97.02831	2.9
99.00797	1.1
101.02345	20.6
102.50278	0.6
103.00276	0.6
113.02359	8.4
119.03416	7.5
125.02365	5.4
131.03401	1.1
143.03432	3.0
149.04482	0.9
161.04488	4.0
167.03485	0.7
176.40747	0.5
179.05553	5.1
197.11708	0.5
197.15494	0.6
209.23682	0.6
221.06686	1.8
225.11380	0.5
235.08267	4.9
253.09369	1.6
253.21770	21.1
254.22110	0.7
263.07697	0.9
277.09311	0.5
305.08829	1.5
307.52234	0.6
386.52704	0.5
397.13599	43.7
398.13870	2.3
415.14655	100.0
416.15097	7.9
418.08612	0.6
651.36243	1.5
711.39807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.3
59.01260	10.5
61.98713	10.5
69.03352	0.8
69.14942	0.6
69.38695	2.2
69.39116	4.4
71.01265	10.5
72.99199	1.9
73.02818	1.2
83.01283	1.5
83.04897	1.7
85.02857	4.7
87.00787	3.3
89.02333	9.0
93.03364	0.8
95.01292	2.2
96.95914	2.4
97.02814	0.7
99.00787	2.3
99.11832	0.7
101.02341	5.0
107.04948	0.8
108.02078	49.3
109.02884	10.9
113.02350	3.8
116.92809	3.5
119.03410	2.4
119.04967	1.0
121.02898	0.9
121.06473	1.8
123.00768	1.1
123.08076	3.4
125.02390	1.2
131.03423	1.1
133.02817	0.7
135.04448	1.5
137.09641	0.8
143.03456	1.0
151.00301	0.7
151.03976	1.7
152.01091	100.0
153.01817	5.0
153.05516	1.0
153.09084	0.7
161.04488	1.9
163.03896	5.9
171.11751	4.3
177.01863	1.6
179.03352	1.5
179.05544	4.0
181.04948	0.8
189.05560	1.1
189.12845	1.7
201.12880	0.9
207.02916	0.7
237.14940	3.6
281.13965	2.5
297.06290	1.1
315.07394	1.4
332.61874	0.8
369.13354	2.8
387.14258	1.0
429.05099	0.7
429.10431	17.9
430.10681	1.6
447.11566	18.4
448.11746	1.7
531.19055	2.1
568.82129	0.7
667.22455	1.1
711.25214	98.2
712.25537	19.6
730.59503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.1
59.01267	4.7
61.98717	15.8
62.33585	0.5
69.03338	0.6
70.40681	1.0
70.41071	1.0
71.01266	7.8
72.99200	1.2
73.02836	2.0
81.03351	1.0
83.01260	1.5
83.04919	1.1
85.02849	4.8
87.00784	2.0
89.02332	4.4
93.03359	0.9
95.01292	1.3
96.95916	2.2
97.02835	0.7
99.00793	2.4
101.02351	5.3
108.02081	41.6
109.02901	9.2
111.08044	0.6
113.02351	3.0
115.00302	0.7
116.92797	1.2
119.03561	0.6
121.02902	1.7
121.06499	1.2
122.03687	1.4
123.00822	1.6
123.04433	0.9
123.08062	4.2
125.02333	1.2
133.02849	0.8
134.03706	0.8
135.04416	1.3
136.01590	18.4
137.02432	3.0
139.03864	0.6
139.07628	0.6
147.04419	0.6
148.43582	0.5
149.02419	1.3
149.04489	1.1
150.03281	0.6
151.00302	4.9
151.03954	38.1
152.01093	86.2
152.04419	1.9
153.01811	4.8
159.02971	0.5
161.02391	0.5
161.04483	3.1
161.76561	0.6
163.03973	5.9
165.01888	0.7
166.02678	18.8
167.03265	1.2
171.11761	3.9
175.02440	1.0
175.03935	0.6
175.07614	1.0
177.01918	1.5
177.05620	0.6
179.03534	1.6
179.05577	1.3
181.05037	31.9
182.05351	0.7
193.04965	0.7
205.04987	0.8
207.02989	2.0
223.06151	0.8
237.14983	1.6
281.14023	2.3
297.06097	0.7
305.08630	0.8
307.14059	1.7
315.07309	1.6
329.10413	1.1
357.09882	6.1
372.12140	8.3
387.14587	99.9
388.14987	9.1
429.10486	13.4
429.16327	0.7
430.10724	1.4
447.11554	19.5
495.13007	0.6
545.26147	1.0
549.19891	1.3
711.25238	100.0
712.25586	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	711.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.1
59.01264	6.7
61.98706	2.9
63.02272	2.5
65.00210	16.0
69.03323	1.0
71.01273	5.2
71.51806	1.3
72.99177	0.8
75.00758	1.7
83.01278	11.0
85.02857	1.8
85.63616	0.7
87.00762	1.4
89.02341	4.2
93.03372	4.7
96.95921	1.1
97.02838	0.9
99.00785	0.9
101.02346	3.0
107.01295	25.4
108.02065	2.7
109.02846	1.9
113.02345	2.4
117.03343	1.7
119.04946	35.6
120.05284	1.4
121.02843	1.8
122.49078	0.7
125.02356	8.8
135.04410	2.2
136.01541	1.0
137.02365	1.2
139.69443	0.7
141.44833	0.7
143.04924	1.3
145.02899	4.6
149.02350	1.5
149.05966	0.9
150.03081	1.4
151.00311	89.6
151.03844	1.8
152.00725	3.7
153.01927	0.8
161.04532	0.7
161.06006	2.0
164.01088	1.1
165.01912	4.6
165.05521	2.4
169.01353	3.8
175.00317	1.8
177.01880	7.3
179.03378	1.2
179.05621	1.1
185.06029	1.6
187.03960	2.5
193.01476	0.9
196.00101	1.6
213.19826	0.7
227.07153	2.1
229.05090	1.6
241.05185	1.7
256.48694	0.7
270.05103	1.6
271.06183	44.1
272.06470	4.1
323.33292	0.8
339.07275	1.5
459.12402	1.6
465.95572	0.9
520.11481	0.8
531.14728	0.9
579.17456	4.1
580.18372	0.9
591.15894	9.0
592.16187	1.6
711.21490	100.0
712.21826	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	711.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	0.3
57.03334	1.4
59.01266	3.6
60.75725	0.3
61.98714	2.1
63.02279	2.9
65.00208	17.3
69.03377	0.3
71.01267	3.7
71.56857	0.5
72.99207	0.7
73.02838	1.3
75.00761	0.3
78.95789	0.4
81.03350	1.0
83.01279	11.2
84.01616	0.3
85.02837	1.8
87.00793	0.9
88.98656	0.3
89.02341	1.9
91.01857	0.3
93.03364	6.4
95.01305	0.5
96.95897	0.3
97.02866	0.4
99.00777	0.8
99.04455	0.4
101.02345	2.4
107.01299	26.5
108.02119	0.7
108.99231	0.5
109.02878	1.0
113.02351	1.2
115.00289	1.5
116.92763	0.8
117.03369	1.5
119.04945	42.5
120.05308	1.7
121.02869	0.8
123.04398	0.4
124.01595	0.5
125.02370	14.0
126.02734	0.4
131.03392	0.7
133.01360	2.8
133.02890	1.0
133.04970	0.5
134.03638	0.4
135.00818	0.3
135.04449	0.7
136.01578	0.8
137.02390	1.4
139.03946	0.5
143.03391	0.6
143.04919	1.0
145.02890	5.3
146.03253	0.4
149.02368	2.4
149.04373	0.3
151.00311	100.0
151.31865	0.3
152.00626	3.2
153.01857	0.4
157.06567	0.3
161.02391	1.0
161.04553	0.9
161.06039	1.8
162.02824	0.3
164.01086	1.3
164.04741	1.2
165.01869	4.5
165.05513	0.4
166.02368	0.4
167.03410	0.7
168.00597	0.5
169.01398	3.9
175.00301	1.8
177.01892	8.8
179.03476	0.6
179.05612	0.5
179.07089	0.6
181.05051	1.0
185.06062	2.6
187.03964	2.8
193.01393	2.0
194.05751	0.3
195.06488	0.5
196.00061	0.7
196.07390	0.9
199.07611	0.5
203.07167	0.3
205.01382	0.7
205.04987	0.5
209.08174	1.0
211.09703	1.4
223.06136	2.8
227.07153	3.5
229.05069	0.9
235.02388	0.6
241.05009	0.3
253.05132	5.3
269.04584	2.3
270.05103	0.8
271.06180	70.1
272.06488	5.1
313.07309	2.2
323.09830	0.8
339.07111	0.4
397.09152	0.4
459.11905	0.6
505.13477	0.8
534.30627	0.4
565.17542	0.9
577.16064	0.8
579.17310	1.8
591.15771	8.6
592.16071	1.0
595.16711	0.5
711.21558	89.7
712.21893	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	711.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82774	0.2
57.03332	1.9
59.01266	3.7
61.98718	2.3
63.02278	2.8
65.00209	17.7
66.00555	0.4
68.99729	0.4
70.89111	0.7
70.89456	0.4
71.01270	3.1
72.99227	0.6
73.02842	0.8
75.00780	0.3
81.03368	0.8
83.01276	8.9
85.02852	1.3
87.00787	1.0
89.02351	1.7
93.03358	5.8
94.03705	0.3
95.01309	0.6
96.95907	0.4
97.02856	0.4
99.00789	0.6
99.04401	0.4
99.92477	0.6
101.02340	2.4
107.01295	26.2
108.02164	1.5
109.02885	0.7
111.00742	0.4
113.02374	1.3
114.93312	0.6
116.92774	10.0
117.03373	1.4
117.92791	0.7
119.04946	37.0
120.05274	1.3
121.02862	1.1
123.00819	0.5
123.04435	0.7
124.01547	0.3
125.02366	9.7
126.02718	0.3
131.01222	0.4
131.03461	0.5
131.88399	0.3
133.02901	0.7
134.03708	0.4
135.04456	1.1
136.01595	1.9
137.02405	1.5
143.03375	0.6
143.04950	0.9
145.02885	4.0
146.66277	0.3
149.02371	1.3
150.03168	0.7
151.00314	100.0
151.03865	3.1
152.00687	2.9
153.01781	0.6
157.06516	0.4
161.02391	0.8
161.04544	1.1
161.06061	1.2
163.03952	0.5
164.01080	0.7
165.01883	5.1
165.05536	0.8
166.02675	1.4
167.03458	0.6
169.01410	3.8
175.00330	1.4
175.03947	0.4
177.01907	8.5
179.03421	0.7
181.05037	2.1
183.04292	0.4
185.06024	2.2
187.04004	2.5
193.01408	0.8
195.06622	0.8
196.00096	0.8
199.07571	0.5
201.05505	0.3
203.07141	0.5
205.05122	0.5
217.01559	0.5
221.06566	0.5
227.07162	2.6
229.05016	1.1
242.05716	0.4
253.04933	0.4
269.04645	1.6
270.05066	1.1
271.06171	47.0
272.06519	3.5
287.05649	0.6
295.05978	0.4
315.07544	0.3
339.07227	1.3
357.09915	0.5
357.13779	0.3
387.14624	2.8
388.14993	0.5
405.15585	0.5
420.65225	0.4
427.09555	0.4
447.11490	0.4
449.11142	0.5
459.12817	0.9
545.13513	0.6
547.13702	0.7
579.17151	0.5
591.15796	6.9
591.25110	0.4
592.16150	1.1
595.16864	1.4
637.16400	0.3
711.21490	71.1
712.21973	12.6
712.31897	0.2
715.32623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.5
59.01266	27.8
61.98706	1.6
71.01286	2.7
72.99217	0.6
73.02817	0.9
83.11090	0.5
85.02838	1.2
89.02357	0.7
96.95891	1.4
99.00769	0.6
101.02338	1.8
113.02357	1.0
121.06519	6.6
125.02361	0.6
127.11155	0.5
135.04440	1.4
136.05223	8.0
137.05823	0.5
149.06021	100.0
150.06323	3.9
161.04509	1.2
162.06792	1.2
175.07623	0.7
189.09174	0.9
234.03275	0.6
240.84828	0.6
267.81549	0.6
272.14670	0.5
288.17392	2.1
303.19785	2.8
332.20035	1.8
364.28290	0.6
416.21274	0.6
443.31958	1.0
446.30402	5.1
459.31540	1.1
461.15884	2.2
461.32819	96.0
462.33240	13.2
462.39328	0.4
485.32849	1.4
503.33905	20.8
504.34277	4.0
540.65369	0.6
605.36993	4.8
606.37573	1.1
649.38348	1.2
665.39240	1.0
709.27332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63995	2.3
55.68336	2.0
55.92552	2.0
59.01265	10.8
61.98717	19.7
71.01260	7.0
71.57850	2.5
88.75118	2.1
89.02316	5.6
90.34139	2.2
97.06505	2.3
101.02313	5.9
114.54018	2.4
151.11246	12.3
166.52429	2.3
169.12297	93.5
170.12668	4.6
195.10155	2.8
199.13329	2.7
213.11378	12.2
253.09331	2.4
277.21771	24.0
278.22092	2.9
402.50769	2.8
402.64594	2.5
449.20190	6.2
475.07477	2.4
508.63797	2.2
527.94873	2.6
529.43530	2.3
709.41718	100.0
710.42212	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32455	0.3
57.03331	1.3
59.01264	25.2
61.77782	0.3
61.98707	0.9
70.50610	0.3
70.57576	0.7
71.01263	1.2
73.02838	0.6
85.02853	0.6
96.95901	0.6
97.06483	0.4
99.00722	0.3
99.08044	0.4
101.02346	0.8
109.02899	0.3
113.02374	0.7
113.09643	0.7
115.07502	0.3
121.06508	6.6
123.08088	0.3
135.04465	0.6
136.05229	8.3
138.06779	0.3
143.03412	0.4
149.06018	92.2
150.06342	4.4
151.07523	0.4
157.12279	1.0
161.04463	0.4
162.06796	0.8
187.85945	0.3
243.71780	0.3
260.18149	0.4
275.20178	0.7
285.63440	0.3
288.17444	1.9
303.19763	3.9
332.20102	1.9
334.21893	0.5
443.31708	1.1
446.30463	3.7
447.30832	0.4
459.31244	0.7
461.32819	100.0
462.33212	15.0
485.32993	1.5
503.33997	4.1
504.34433	0.7
589.49146	0.3
605.37085	7.2
606.37427	1.3
623.38324	1.1
665.39227	1.0
709.25873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65852	0.8
57.03318	3.8
57.03577	1.0
59.01264	17.5
60.19926	0.9
61.98718	16.4
65.00191	1.3
65.03850	1.2
67.01753	0.9
69.03338	1.0
71.01265	12.1
71.51913	1.0
72.99213	1.5
73.02822	4.6
75.00760	2.3
81.03340	1.1
83.01270	3.4
83.04913	1.6
85.02843	6.0
87.00751	1.5
87.74486	0.8
88.98681	1.2
89.02329	5.3
91.01819	1.2
91.05431	3.1
93.03357	3.3
95.01298	2.3
95.04927	1.0
96.95900	3.0
97.02847	1.3
99.00766	2.2
101.02364	7.1
107.04939	1.5
108.02090	5.1
109.02863	14.0
111.00749	1.0
111.99522	1.7
113.02326	6.0
117.03414	1.3
119.01314	3.8
119.03423	1.4
119.04961	4.4
121.02872	26.2
122.03657	1.1
123.04436	2.8
124.01585	1.8
125.02361	9.5
133.02879	3.7
133.04976	1.8
134.03667	8.3
135.02916	2.1
135.03348	1.4
135.04449	29.1
135.08121	0.9
137.02393	6.1
137.06032	1.0
139.07605	0.9
145.02890	1.3
146.03603	1.4
147.00806	2.6
147.04466	9.6
148.05191	1.0
149.02376	37.7
149.06017	2.7
150.03030	1.5
151.00276	2.4
151.03925	1.8
151.07593	1.3
152.01065	5.4
153.01851	2.7
155.98517	5.5
159.04483	3.8
159.74120	0.9
160.04004	1.1
161.02374	4.1
161.04498	2.8
161.05989	3.5
162.06789	1.4
163.03969	5.1
163.07581	1.5
163.33948	0.9
164.04732	33.6
165.01886	3.3
165.05367	2.7
166.02609	1.1
167.03445	1.7
172.05228	0.9
173.05995	4.0
174.01695	0.9
174.16235	0.9
175.00316	29.3
175.03952	1.7
175.07613	9.2
176.00992	2.2
177.01886	1.8
179.05629	1.7
179.07082	5.7
185.06006	1.2
187.07605	2.4
189.01953	2.2
189.09218	4.6
190.02689	71.5
191.03258	5.1
193.01360	3.5
193.04993	2.5
193.08669	7.9
199.07544	1.1
201.09184	7.0
202.09909	1.2
204.29060	1.0
205.05049	84.3
205.08545	9.4
206.05354	3.8
207.03008	2.6
208.03764	12.5
209.04425	1.5
209.08127	2.7
213.09248	2.2
217.08734	1.5
219.10254	14.6
223.06114	100.0
224.06496	5.4
231.10310	2.6
232.03745	0.9
241.05066	1.4
255.06548	1.3
256.07523	2.6
259.06131	1.5
269.04730	2.1
269.07993	1.0
270.09314	1.0
271.05994	1.3
285.03958	1.3
287.05487	0.9
311.12952	1.9
315.07565	1.3
323.12967	2.8
337.05646	2.5
338.64780	1.0
341.14005	48.9
342.14493	5.2
352.07968	4.9
353.08829	1.4
365.14124	2.3
367.10413	72.7
368.10672	5.6
371.11368	3.2
485.18231	3.9
487.34564	1.4
501.82343	1.0
511.32910	2.0
545.13293	1.6
547.19977	2.2
609.30035	1.0
649.38080	1.6
667.40082	1.1
709.25049	42.7
709.36621	2.6
710.25464	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	709.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02122	0.4
54.96872	0.4
55.01768	3.0
57.03330	1.6
57.34791	0.4
59.01264	4.6
61.98708	1.2
62.68751	0.4
65.00202	0.9
67.79594	0.4
68.19193	0.4
70.53995	1.3
71.01272	6.3
71.37698	0.4
72.99183	0.9
73.02831	3.2
75.00785	0.4
75.86150	0.4
81.03345	0.6
83.01277	44.8
84.01617	0.6
85.02841	2.3
87.00778	1.2
88.98678	1.6
89.02321	1.9
93.03364	0.5
95.04929	0.6
96.95918	0.6
97.02854	1.0
99.00780	10.2
99.04414	0.7
101.02348	22.2
105.03351	1.6
107.01278	0.8
109.02838	0.7
113.02365	2.7
117.03387	3.6
119.04899	2.4
121.02837	0.5
123.00753	0.7
123.04465	0.6
125.02379	2.6
127.00296	25.4
128.00607	0.5
133.02870	1.0
135.04448	1.0
137.02376	0.8
141.01895	2.8
145.01361	1.6
145.02888	6.0
149.02325	1.1
151.00314	2.7
151.03963	5.8
152.01128	0.7
159.04391	0.5
161.02386	31.3
161.04550	1.6
162.02988	2.6
163.03894	1.5
164.04756	0.6
165.05482	1.0
167.03496	0.5
169.01373	0.9
173.02443	0.6
176.04747	22.4
177.05246	1.2
179.03459	52.3
180.04185	5.9
181.04941	0.6
189.01845	0.5
191.07120	8.6
192.07550	0.4
193.05072	0.5
193.08675	0.5
194.05829	58.8
195.06573	18.8
205.05042	1.1
209.08183	100.0
210.08499	5.3
225.05583	0.5
267.07275	1.0
268.03802	5.1
269.04605	43.4
270.04980	3.2
271.06219	0.8
287.09399	1.1
289.05698	4.7
290.06171	0.5
293.05060	0.4
305.04813	0.7
307.06219	0.6
335.05795	1.4
405.15698	1.1
419.12039	0.6
419.17090	3.5
420.17822	0.6
425.08856	5.9
426.09186	1.2
499.14560	6.6
500.15439	0.9
515.12140	8.7
516.12097	1.2
565.15662	0.9
593.28204	0.5
619.28070	0.6
706.49121	0.5
709.23096	49.8
710.23279	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	709.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83219	0.2
55.01784	0.4
57.03336	11.1
59.00991	0.4
59.01265	5.3
61.98714	1.9
63.20702	0.2
65.00203	0.5
69.03339	0.9
69.70693	0.8
69.71120	0.8
71.01265	5.4
72.99187	0.4
73.02839	2.9
81.03329	0.4
83.01287	1.5
85.02846	1.9
87.00794	1.0
89.02328	1.8
93.03351	1.7
95.01282	0.6
96.95914	0.7
97.02877	2.6
98.20541	0.3
99.00778	4.4
99.04426	2.4
101.02343	6.8
107.01286	0.5
108.02089	0.5
109.02847	0.9
110.79327	0.2
111.00811	0.5
113.02368	2.5
117.03376	26.1
118.03704	1.2
119.04942	17.4
120.05267	0.7
121.02888	0.5
123.04452	0.9
124.01573	0.5
125.02366	13.6
126.02713	0.3
131.03448	0.5
134.03671	1.0
135.04442	1.0
136.98776	0.2
137.02386	0.6
143.03413	0.5
143.04984	0.6
145.02887	100.0
146.03230	4.2
147.04477	0.3
149.02367	0.6
149.06041	0.4
151.00313	1.9
151.03963	0.7
152.01080	1.1
153.01825	0.4
159.02881	0.3
161.02365	0.9
161.04510	3.3
161.05904	0.4
163.03957	18.4
164.04514	1.0
164.98286	0.3
165.01852	0.3
167.03435	1.4
169.01363	0.3
173.02390	0.6
173.05992	0.4
175.02480	0.5
175.03973	0.7
177.01929	0.4
179.03519	0.4
181.04988	0.4
185.02420	0.5
185.06088	0.3
187.03943	0.6
189.01906	0.6
190.02779	0.5
191.05569	0.7
193.05080	0.4
197.02428	0.4
203.03571	0.3
203.05672	0.5
205.05023	0.3
215.03494	0.7
217.01431	0.5
223.06140	0.8
233.08116	0.3
241.01450	0.6
251.07497	0.3
271.06250	1.6
285.04083	0.6
293.08704	0.3
294.94696	0.3
305.04651	0.8
306.05154	0.7
307.06174	1.1
315.07425	0.4
325.07416	0.6
335.02060	0.5
335.05707	4.8
365.06757	1.0
371.45706	0.3
383.07675	0.4
401.11475	0.3
419.12073	6.7
420.12201	0.7
425.08865	8.2
426.09116	1.0
455.09818	0.8
461.13086	3.2
475.14801	0.5
501.16394	1.0
511.33109	0.4
521.55463	0.2
545.13135	12.6
546.13525	1.7
563.16095	6.3
564.16296	1.2
565.15710	18.0
566.15991	3.2
607.16895	12.3
608.17371	1.9
647.19885	5.2
648.20032	1.2
665.20886	0.5
691.22314	0.3
709.19476	4.4
710.21552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.1
61.98713	0.6
63.66976	0.3
65.00237	0.4
70.04602	1.5
70.90515	0.3
71.01260	1.1
72.99178	0.4
73.02840	0.3
79.93889	0.3
83.01276	0.6
85.02839	0.3
87.00803	0.4
89.02312	0.4
93.03361	2.2
96.95924	0.7
97.37396	0.3
101.02296	0.3
107.01308	0.6
108.02066	0.4
109.02834	0.4
113.02337	0.6
117.03374	15.6
118.03706	0.7
119.04942	7.2
120.05298	0.4
123.04482	0.5
125.02392	0.9
135.04439	0.8
137.02385	0.4
145.02904	1.2
147.04440	0.3
149.02362	0.8
151.00308	1.7
159.04489	0.5
161.02376	2.5
163.03951	3.4
167.03439	1.1
171.04413	0.4
173.02402	7.6
173.05937	0.4
175.03905	0.8
177.05544	0.7
179.03439	0.5
181.05191	0.3
185.02417	3.0
187.03983	3.2
189.01868	3.3
191.03506	0.4
194.05772	0.4
197.02388	2.2
201.01993	0.4
203.03520	1.1
215.03494	5.1
217.01416	4.1
227.03528	1.1
235.07620	0.9
241.01399	2.8
245.04604	0.5
252.35376	0.3
261.05655	0.7
263.07135	0.9
271.02600	0.8
271.06281	1.0
277.05026	0.5
279.06641	0.5
283.06171	1.3
293.04654	1.2
295.06094	0.5
297.07724	1.5
305.04593	5.5
306.05331	4.7
307.06165	9.2
308.06668	0.6
309.07764	0.7
311.05710	0.4
317.04459	0.6
317.11099	0.3
319.06152	0.4
321.07782	0.4
323.05707	1.1
331.04633	0.7
335.05685	33.5
336.05930	3.9
337.07285	0.7
338.04440	1.2
339.12076	0.4
347.05692	0.7
349.07202	0.4
353.06802	3.0
354.07339	0.4
365.06720	7.6
366.07214	0.8
377.06595	1.2
383.07849	1.4
395.07825	1.1
407.07870	0.7
413.08994	0.7
425.08871	61.2
426.04041	0.6
426.09299	7.5
443.09912	0.9
445.11072	0.3
455.09943	10.8
456.10367	1.3
473.11209	0.8
532.32611	0.4
545.13129	100.0
546.13483	14.4
563.14172	10.3
564.14447	1.5
565.15729	1.1
607.16284	0.5
709.16681	1.9
709.38434	0.7
710.18793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94213	0.2
59.01265	100.0
60.01584	0.9
61.98745	0.2
71.01281	0.8
71.01703	0.3
71.38771	0.2
73.02834	0.3
78.95789	0.3
85.02811	0.2
87.33761	0.2
89.02348	0.4
101.02355	0.4
118.40900	0.3
126.33656	0.2
129.07947	0.2
152.99580	0.4
176.44701	0.2
178.76628	0.2
180.13307	0.2
211.13428	0.5
277.21774	17.1
278.22110	1.7
291.23431	0.6
319.22952	0.3
367.60352	0.2
387.20364	0.4
641.62488	0.2
707.44147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65329	0.2
57.03334	1.9
59.01261	4.3
61.98721	1.6
65.00236	0.4
67.73551	0.2
70.93766	0.4
70.94108	0.5
71.01266	3.8
72.99203	0.7
73.02828	1.1
75.00757	0.5
81.03334	0.4
83.01276	1.2
83.04898	0.6
85.02838	1.2
87.00755	0.6
88.98699	0.6
89.02353	1.3
93.03360	3.0
95.01309	0.4
96.95909	1.3
97.02843	0.4
99.00777	1.0
99.04417	0.5
101.02342	2.4
107.01311	0.4
108.02077	0.9
109.02867	0.7
111.00771	0.3
113.02332	1.3
116.92770	0.4
117.03373	19.6
118.03692	0.7
119.03522	0.4
119.04946	8.4
119.75343	0.3
121.02862	1.1
122.06021	0.3
123.00810	0.4
123.04446	1.0
124.01584	0.7
125.02368	4.2
133.02882	0.5
134.03645	0.6
135.04449	0.8
137.02368	0.7
143.03371	0.3
145.02888	15.2
146.03229	0.4
147.04485	0.6
149.02365	2.9
149.99518	0.9
151.00340	2.1
151.03932	0.4
152.01094	1.3
153.01877	0.4
159.04472	0.6
161.02409	3.0
161.04489	1.1
163.02693	0.4
163.03967	5.7
164.04753	1.7
165.01770	0.4
166.02690	0.3
167.03444	2.2
168.00659	1.3
169.01297	0.3
171.04439	0.5
173.00925	0.5
173.02390	7.3
175.00323	0.7
175.02402	0.6
175.03957	1.1
176.04654	0.4
177.01897	1.0
177.05507	0.8
179.03462	0.6
179.07074	0.4
185.02394	3.2
186.02989	0.4
187.03978	3.3
189.01898	3.2
190.02554	0.6
191.03407	0.5
193.01297	0.3
193.05013	0.7
197.02403	2.1
201.01968	0.3
203.03471	1.6
205.05016	0.5
209.08176	0.5
213.01910	0.4
215.03510	4.8
217.01421	3.2
221.08159	0.3
223.06076	3.6
225.05463	0.3
227.03423	1.0
233.08180	0.3
235.07657	0.4
241.01425	1.6
243.03046	0.3
245.04543	0.9
253.09016	0.3
261.05533	0.7
262.06317	0.3
263.03613	0.2
263.07181	0.8
269.04547	0.3
271.02591	1.1
271.06140	1.0
277.05173	0.5
279.06580	0.5
283.06290	0.7
284.03204	0.4
285.04129	0.5
287.05881	0.3
287.09058	0.3
289.04987	0.3
291.06720	0.4
293.04901	1.4
293.07703	0.3
295.06259	0.7
297.07645	0.7
299.05740	0.5
305.04590	6.7
306.05328	5.2
306.08560	0.2
306.96631	0.3
307.06168	8.4
308.06564	0.8
309.04001	0.3
309.07687	0.5
311.05539	0.7
313.26715	0.3
317.04562	0.5
319.05978	0.3
321.03964	0.3
322.04797	0.4
323.05618	1.0
325.07358	0.5
335.05692	36.0
336.05994	3.7
337.07166	0.5
338.04285	1.4
347.05688	0.7
349.07040	0.4
353.06760	2.2
353.10809	0.3
365.06784	7.0
365.11325	0.5
366.07175	0.4
377.06729	0.8
383.07730	1.1
395.07782	1.3
401.29532	0.3
406.59787	0.3
407.07669	0.4
413.08536	0.4
419.12082	0.6
425.08865	50.5
426.09216	5.4
431.13440	0.4
443.09824	0.4
455.09927	17.4
456.10373	2.2
475.14859	1.0
511.33008	0.6
545.13135	100.0
546.13489	12.4
546.20044	0.2
563.14252	9.3
564.14355	1.5
565.15918	2.5
566.16516	0.3
579.17596	0.6
607.16913	1.7
647.20050	0.7
648.21167	0.3
675.48279	0.6
691.22949	0.3
691.48260	0.6
709.20996	3.1
710.19043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52337	0.3
59.01263	1.7
61.98713	0.9
70.73980	0.3
71.53547	0.5
73.38321	0.3
78.95798	0.6
87.03014	0.3
96.95911	0.8
109.02881	0.4
121.02856	0.8
133.02899	0.8
135.04465	0.4
139.03961	0.4
148.01607	0.3
149.02353	1.0
150.03154	0.9
152.99527	0.4
170.97484	0.3
177.01929	0.5
185.06097	0.3
213.05600	0.4
229.05095	0.3
241.05057	0.3
255.06589	1.4
267.06592	0.8
293.08392	0.4
295.09854	0.7
309.11304	0.5
315.02744	0.3
319.09842	0.5
335.09375	0.4
347.09241	0.4
349.07278	0.6
361.07278	0.6
363.08948	1.8
364.09579	1.2
372.50311	0.3
375.08759	1.5
396.08569	0.7
403.11850	1.5
404.12772	3.1
417.13556	0.4
418.14383	1.6
419.15015	3.3
420.15897	0.5
475.21045	0.5
488.18515	0.3
503.20874	100.0
504.21222	13.3
665.26257	0.4
707.27252	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	707.351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89424	0.3
55.01756	0.4
57.03337	3.0
58.00473	0.8
59.01265	20.3
60.01580	0.3
60.27255	0.4
60.99166	0.3
61.98715	9.3
64.89836	0.3
66.19492	0.3
69.03328	1.1
71.01267	16.6
71.04916	2.0
71.25520	0.4
72.99198	2.0
73.02832	3.2
75.00742	1.0
81.03344	0.9
83.01280	1.7
83.04912	1.5
85.02852	4.1
85.06474	1.7
87.00772	3.2
87.04396	1.0
88.98689	0.9
89.02336	14.7
90.02678	0.4
93.03380	0.6
95.01256	1.4
95.04904	0.6
96.95913	0.6
97.02848	2.4
97.06494	0.8
98.03656	0.3
99.00777	1.2
101.02345	12.6
101.03015	0.7
108.02052	0.4
109.02859	0.9
109.06512	2.4
111.04446	1.6
111.08049	0.9
113.02350	6.3
115.03906	0.4
119.03423	3.4
119.04925	1.3
121.02854	1.5
121.06493	0.4
121.29729	0.2
123.04419	0.5
123.08056	0.4
125.02355	4.0
125.09668	0.3
127.03954	0.5
127.07556	0.5
131.03409	0.6
135.04457	1.2
137.02338	0.8
137.05991	0.6
139.03952	0.3
139.13541	0.3
141.01900	0.4
143.02414	0.3
143.03456	2.0
145.02879	0.6
147.59062	0.3
149.02364	1.3
149.04469	0.4
149.09630	0.4
151.00284	0.9
151.03905	0.4
151.07530	0.4
152.01134	0.5
160.03999	2.4
161.04509	3.0
163.03989	0.6
164.04666	1.1
165.05495	0.6
167.03403	0.3
167.10706	0.7
169.12196	0.3
171.10194	0.8
177.12787	0.5
179.05557	3.3
179.07132	0.6
179.10696	0.8
179.14368	1.6
181.12314	0.8
185.04503	0.3
195.13896	12.4
196.14185	0.6
197.11861	0.5
201.12868	0.4
203.14442	0.4
204.11560	0.8
205.05048	0.4
205.12366	1.0
209.11810	0.4
217.16037	0.3
219.13849	1.4
221.06703	1.1
221.15456	6.6
222.15916	0.5
223.06178	1.9
223.13399	5.5
223.16931	0.6
224.13615	0.5
229.19566	0.4
230.08176	0.5
233.15509	0.6
235.08252	2.2
235.17123	0.6
239.16553	2.6
247.20682	1.0
251.16536	1.0
253.09424	1.8
263.07907	0.4
263.12955	3.3
273.18607	1.5
291.19727	22.1
292.20166	1.8
305.08942	0.5
309.20773	100.0
310.21136	10.8
315.12384	0.6
323.09613	0.7
397.13596	14.0
398.14020	1.5
401.14676	1.6
415.14661	30.6
416.14963	3.0
509.31055	0.3
525.58069	0.4
581.94690	0.3
617.18274	0.4
707.23578	0.6
707.35492	3.7
708.35895	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03329	1.1
59.01261	6.3
61.98717	3.7
63.51061	0.4
65.00217	1.0
69.03329	1.0
69.46912	2.8
71.01272	6.8
72.99184	1.9
73.02821	1.9
75.00776	0.8
81.03345	0.5
83.01294	1.7
83.04878	0.4
85.02842	5.1
87.00789	1.2
89.02332	3.2
93.03360	0.4
95.01298	1.5
96.95913	1.9
97.02864	1.0
98.20530	0.8
99.00780	1.5
99.04417	0.6
101.02364	3.8
103.03946	0.8
107.01313	1.0
108.02076	57.7
109.02885	11.6
110.03130	0.5
111.04455	0.4
113.02340	2.9
116.92750	0.9
119.03402	0.6
119.04938	2.2
121.02839	1.3
123.00828	0.8
123.04450	1.9
125.02367	4.0
129.01843	0.5
133.02885	0.9
134.03670	1.4
135.04428	2.4
137.02338	1.5
137.06024	0.5
139.00354	0.4
143.03514	0.4
145.02879	0.7
145.06519	0.6
147.04494	1.3
148.05247	1.7
149.02354	0.6
149.06006	0.6
151.00304	4.0
151.03922	1.5
152.01089	100.0
153.01717	5.2
159.03123	0.6
159.04446	4.5
160.05074	0.5
161.02345	1.1
161.04475	1.6
161.05795	0.5
163.03947	4.6
165.01891	0.5
165.05534	0.5
166.02655	0.6
167.03441	3.1
172.13799	0.4
173.06116	0.5
175.02440	0.5
175.03857	0.4
177.01872	1.3
179.03444	0.9
181.05000	0.6
185.09679	1.2
187.07544	1.0
188.08304	0.6
189.09233	0.8
199.07643	0.5
200.08405	2.7
201.09128	3.5
203.07048	2.2
203.10870	0.5
207.03017	0.9
213.09186	0.8
215.07028	1.3
215.10741	1.2
218.09486	5.9
219.10210	2.2
223.06142	0.5
227.07243	0.7
229.08826	0.7
231.10217	0.9
233.11781	1.5
244.07356	0.9
245.08125	3.1
247.09828	1.2
253.36108	0.4
255.06560	0.5
259.09784	1.4
262.08511	1.0
262.26514	0.4
263.09326	1.5
265.09323	3.4
266.09662	1.4
267.09833	0.5
269.04498	1.6
277.10886	7.3
297.06149	1.0
315.07266	1.6
333.08264	0.6
339.08783	1.2
357.65735	0.4
429.10385	9.3
430.10785	1.0
447.11511	23.6
448.11829	2.3
491.13931	0.7
547.14038	0.4
617.18964	1.8
663.19690	0.9
689.20880	1.1
707.21991	90.3
708.22327	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	707.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.00992	0.3
59.01261	4.2
61.98713	5.8
65.00193	0.2
65.03847	0.5
68.82395	0.2
69.03337	0.3
70.24798	1.0
71.01266	2.6
72.99171	0.3
73.02818	0.7
75.00749	0.3
83.01276	0.6
83.04893	0.2
85.02854	1.1
87.00775	0.4
88.98693	0.5
89.02342	2.5
91.05427	1.4
93.03346	1.0
95.01267	0.6
96.95912	0.5
97.02846	0.9
98.19813	0.2
99.00771	0.4
101.02327	1.7
107.01295	0.4
107.04931	0.4
108.02059	1.1
109.02856	8.3
109.06425	0.2
110.03162	0.3
112.81855	0.2
113.02337	1.3
116.92780	1.9
119.03444	0.4
119.04937	1.9
121.02868	7.1
123.04433	0.5
125.02351	1.1
133.02953	0.5
133.06511	0.6
134.03685	1.6
135.04442	26.1
136.04816	1.2
137.02359	0.6
141.01866	0.3
143.03372	0.2
145.02853	0.4
145.06491	0.5
147.04440	1.6
147.08084	1.1
148.01651	0.2
149.02350	0.6
149.06042	1.2
151.00313	1.5
151.04047	0.3
152.01041	0.3
153.01881	0.3
157.10165	0.2
159.04474	0.6
159.08092	0.2
160.01578	0.2
160.03932	0.7
161.02451	0.3
161.04453	0.7
161.06027	1.2
163.00323	2.6
164.04672	0.4
165.01840	0.8
171.04483	0.5
171.10165	0.5
172.05228	0.6
173.06042	1.3
174.06674	0.5
175.03938	0.6
175.07613	3.9
177.01804	0.2
179.05573	0.3
185.05978	1.0
186.06772	0.2
187.07616	6.5
188.08043	0.6
189.01985	0.2
189.05508	0.4
189.09181	3.5
190.02620	0.3
190.09491	0.3
193.05037	1.5
197.06100	0.3
199.07637	0.6
201.09181	19.8
202.09587	1.0
205.05066	0.4
209.11829	0.5
213.09184	3.1
214.09848	1.0
223.06071	0.9
228.04379	0.4
253.05151	0.4
253.12451	0.4
255.13754	0.2
265.09290	0.3
268.07547	0.2
269.08337	0.3
270.05014	0.2
271.06454	0.3
281.11765	0.4
283.06113	1.2
287.06003	0.2
291.19699	0.4
305.11826	0.9
308.10553	0.5
309.20731	2.6
310.21118	0.2
315.12497	0.3
323.12936	100.0
324.13260	10.1
332.27396	0.3
351.08142	0.3
355.15598	0.7
397.13510	0.7
415.14563	0.7
471.11594	0.4
485.18265	53.2
486.18625	7.6
509.31403	0.3
579.17255	0.4
585.20953	0.3
591.17261	0.3
610.15216	0.6
647.37933	0.3
663.36932	0.4
707.21436	0.5
707.34619	0.8
708.22906	1.5
708.34143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19181	1.1
59.01265	47.3
61.98692	1.4
70.16376	2.7
70.16764	2.4
71.01277	6.5
73.02850	1.7
78.95781	1.9
79.32825	1.2
80.77186	1.1
85.02811	1.8
94.06303	1.1
97.02818	1.7
100.42651	1.0
104.53397	1.1
111.33625	1.1
113.02357	2.5
113.05987	1.2
138.06773	4.6
139.07536	2.2
151.07558	6.2
152.08369	3.7
153.09161	24.0
201.87630	1.1
205.12312	13.2
209.11536	1.4
223.13414	6.4
277.21793	100.0
278.22217	8.1
291.23431	3.2
319.22928	2.4
329.27829	1.2
350.46841	1.1
367.17505	1.8
385.18860	2.6
396.99057	1.3
406.18100	1.3
415.77710	1.2
465.28156	1.2
645.39655	1.9
646.52570	1.2
658.27673	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	707.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27548	0.2
55.01779	0.5
57.03336	1.5
57.68538	0.2
58.14011	0.2
59.01265	3.5
61.94787	0.3
61.98714	1.5
63.02283	1.2
64.99856	0.3
65.00208	6.7
68.99705	0.4
69.03335	0.3
69.42763	0.2
69.99297	0.2
71.01266	3.5
71.04913	0.2
72.99186	0.8
73.02857	1.2
73.64419	0.2
75.00769	0.8
78.95797	5.5
79.95636	2.5
81.03349	0.4
83.01278	14.7
85.02828	1.8
87.00761	0.9
89.02348	1.4
93.03362	2.4
95.01299	0.4
96.95914	100.0
96.96813	8.0
97.02855	0.4
97.95863	0.3
98.02393	0.4
99.00793	1.8
100.36510	0.2
101.02346	9.9
103.03931	0.4
107.01296	10.8
108.00078	0.2
108.02135	0.5
109.02869	0.9
110.02435	0.2
111.00786	0.3
112.60818	0.2
113.02372	1.9
116.92791	0.5
117.01879	0.3
117.03387	1.1
119.03521	0.5
119.04943	17.3
120.05289	1.0
121.02849	0.4
123.04421	0.6
124.01610	0.3
125.02361	6.9
126.99411	0.5
127.00300	7.6
134.03697	0.4
135.04428	1.0
136.01569	0.3
137.02400	0.5
139.03941	0.4
143.04945	0.7
145.01335	0.5
145.02881	2.7
149.02379	0.9
149.05927	0.4
151.00311	41.5
151.07605	0.3
152.00639	1.7
153.01866	0.4
155.03436	0.3
161.02419	0.4
161.04538	0.8
161.06023	0.9
163.00369	0.4
163.03949	0.4
164.01088	0.3
165.01915	1.8
165.05530	0.2
167.03426	0.4
168.00549	0.2
169.01393	1.5
175.00301	0.8
175.02455	0.4
177.01874	3.4
185.06084	1.3
187.03940	1.6
191.03490	0.3
193.01369	0.7
201.05487	0.3
205.01611	0.3
212.29520	0.3
217.01413	0.4
217.08604	0.4
227.07185	1.3
235.02348	0.6
251.11436	0.5
253.05142	0.3
267.06952	0.4
269.04523	1.1
269.35544	0.3
271.06183	25.8
272.06482	1.7
283.02939	0.3
283.06223	0.4
297.07529	0.3
301.07458	0.4
311.05521	0.4
313.07013	0.6
315.07199	0.3
319.10294	0.8
325.07126	0.3
335.09793	0.3
339.07358	0.4
343.08310	0.4
413.11594	0.3
435.11548	1.9
455.19330	0.3
459.12000	1.1
531.15460	0.4
543.14044	1.2
561.16162	1.5
579.17395	4.0
580.17316	0.6
587.17633	0.4
609.18097	0.6
615.18616	0.3
617.18732	1.4
635.19409	0.4
663.19678	3.6
664.19818	0.6
707.18433	33.2
708.18707	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	704.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47122	0.1
56.25660	0.1
56.45290	0.1
59.01266	12.2
60.01595	0.9
61.01689	0.4
61.27305	0.1
61.98718	100.0
62.98428	0.2
69.51109	0.7
69.51526	0.2
75.58320	0.1
78.95766	0.1
98.19891	0.2
107.26492	0.1
152.99574	0.2
209.11928	0.2
252.87260	0.1
339.73868	0.1
439.13522	0.2
440.13409	0.4
441.13663	0.2
454.14548	0.2
455.15179	0.1
481.15134	0.2
482.15341	0.7
483.15463	1.6
484.15540	2.9
485.16312	0.2
496.17163	0.1
497.16751	0.6
498.17148	1.0
499.18127	0.4
500.19263	0.5
516.15363	0.2
517.15436	0.1
541.16632	0.1
542.16675	0.6
543.16742	0.9
544.16779	0.1
556.18939	0.9
557.19049	2.8
558.19312	5.6
559.19568	0.4
573.16296	0.2
574.15784	0.7
575.15729	1.4
588.17200	0.4
589.17596	0.7
612.20306	0.1
629.20532	0.2
630.21198	0.2
643.22845	0.8
644.23059	3.7
645.24030	0.2
656.09442	0.1
703.25293	1.0
704.25000	10.9
705.24713	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	705.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50634	0.2
54.88681	0.2
55.01772	0.3
57.03333	0.5
59.01262	4.2
59.94148	0.2
60.49050	0.2
61.98715	4.9
64.13789	0.2
65.00206	0.3
66.01030	0.2
67.01756	0.2
69.31200	0.8
69.31627	1.1
71.01267	2.8
72.99196	0.6
73.02827	0.6
73.49876	0.2
75.00765	0.7
83.01276	0.5
85.02843	0.9
87.00774	1.0
88.98695	0.2
89.02330	1.7
93.03341	0.6
95.01277	1.1
96.95912	1.0
97.02855	0.3
98.20570	0.5
99.00795	0.6
99.51553	0.2
101.02356	1.3
108.02066	0.3
109.02854	0.3
109.06538	0.2
111.00777	0.4
111.04396	0.3
113.02341	1.0
116.92806	0.2
119.03429	0.6
119.04927	0.6
121.02867	0.4
123.04420	0.5
125.02386	1.5
127.03926	0.2
132.02094	0.6
132.07584	0.2
133.02888	0.6
133.04987	0.5
134.03667	1.1
135.04462	0.7
136.01566	0.4
136.08467	0.2
137.02385	0.9
139.00334	0.5
139.95108	0.2
143.03406	0.4
145.02875	0.4
148.01604	0.4
149.02417	0.6
149.06056	0.3
150.03062	0.3
151.00301	0.8
151.03975	0.2
152.01048	0.4
153.01920	0.4
160.01607	1.2
161.02303	0.5
161.04486	0.4
163.03951	0.5
164.04787	0.5
165.05527	0.6
174.03215	0.4
175.02486	0.3
175.03940	1.8
177.01913	0.3
178.06268	0.3
179.05518	0.4
193.05023	0.8
193.08682	0.3
202.02663	1.3
203.13542	0.2
207.10291	0.3
209.06114	0.2
209.11795	0.5
214.02625	0.2
223.06099	0.5
226.06471	0.3
232.03711	0.2
237.05521	0.6
238.06346	1.1
240.04160	0.3
253.05051	2.1
254.05835	1.3
255.06561	0.4
266.05759	0.5
267.03116	0.3
267.06628	0.3
269.04672	1.0
281.04599	3.4
282.05368	4.2
283.06067	0.9
286.04852	0.5
293.04636	3.4
294.05072	0.6
295.02780	0.5
295.06149	1.2
296.06775	0.4
297.07727	0.8
307.06442	0.3
308.06915	0.5
309.04074	0.6
309.07828	0.7
310.04868	0.4
311.05655	0.9
312.06284	0.7
313.07181	1.7
314.04388	5.6
315.04657	0.5
321.07901	0.6
321.20789	0.4
322.08389	0.5
323.05722	0.4
323.09256	0.3
324.06436	0.5
325.07257	2.1
326.07846	0.9
327.08813	0.8
335.09302	0.3
337.10870	100.0
338.11240	9.6
340.06000	0.3
341.06723	1.1
342.07370	0.3
343.08231	0.3
351.08682	0.5
352.09485	0.5
355.08255	2.2
356.09079	1.2
357.09808	0.7
365.10355	0.7
366.11383	0.2
367.12158	0.3
381.09778	0.3
383.11548	1.1
394.10522	0.2
397.13107	0.6
408.12180	0.3
411.10934	2.9
412.11435	0.7
425.12607	1.5
426.13248	2.1
427.14001	1.3
455.13705	0.6
483.25757	0.3
489.13748	0.4
501.14090	0.2
569.16711	0.3
589.19177	0.4
636.97101	0.3
645.37225	0.3
661.36456	0.5
674.82971	0.4
683.27832	0.2
704.36090	0.4
704.83459	1.5
705.23981	24.1
706.24298	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	703.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85859	0.9
57.03344	1.1
59.01265	20.9
61.98716	36.3
62.33739	0.8
63.26577	0.9
64.99583	0.8
71.01267	6.7
71.55951	1.4
71.56351	1.3
72.99172	1.8
73.02837	3.0
75.00777	1.1
78.95815	0.9
79.68177	0.8
80.02567	1.2
81.03336	2.5
83.01265	2.3
83.04912	4.2
84.02054	0.9
85.02864	3.7
87.00777	2.2
88.98721	1.4
89.02345	6.2
95.04932	1.0
96.95889	1.6
97.02872	3.3
97.06504	1.0
99.00781	1.7
101.02353	7.1
101.55835	1.0
103.85856	1.1
107.04888	1.6
109.02855	1.9
109.06494	13.0
113.02354	4.8
116.92751	1.2
119.03393	1.0
119.04935	1.5
121.02863	2.8
121.06487	1.0
123.04405	1.3
125.02372	4.1
127.18580	1.0
129.01797	1.1
131.03523	1.2
133.02856	1.2
135.04384	2.5
137.02321	1.5
137.06039	1.4
139.03941	1.1
143.03409	1.2
148.01587	3.8
149.04555	1.0
151.00197	1.3
151.03844	1.1
161.02388	1.7
161.04601	1.3
162.25400	1.0
163.11247	9.8
164.04643	0.9
165.05540	1.7
171.10201	1.3
181.12329	2.6
189.01927	1.0
189.09094	1.2
190.02711	1.4
197.11790	3.1
205.05037	1.3
207.10260	31.0
209.11818	50.8
210.12146	1.8
225.11307	14.5
226.11572	1.4
227.12843	6.7
235.08168	1.1
253.05124	3.7
253.09300	6.4
267.03354	1.0
267.06638	2.3
269.04483	1.5
279.06821	1.1
281.21942	1.0
295.06134	1.6
297.04541	1.3
307.06149	2.0
311.05551	1.5
323.05563	4.1
323.09360	2.2
337.07220	1.1
337.10925	2.4
350.11682	1.4
351.08633	2.1
366.11127	4.4
367.10706	1.1
379.11862	4.2
397.13080	4.2
399.21976	2.7
411.14734	1.5
412.15274	1.5
417.22934	3.0
424.15408	4.6
425.15750	3.0
439.13925	1.2
440.14911	25.9
441.15170	3.2
443.19482	1.4
454.16010	1.1
455.17227	100.0
456.17465	15.0
461.20465	5.5
534.27899	1.5
536.48889	1.1
583.35522	1.2
635.30890	8.4
643.38037	2.4
653.32153	7.7
659.37848	1.8
671.33197	12.0
672.33282	1.9
703.28510	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	703.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81580	0.3
57.03335	6.2
59.01268	6.0
61.98716	7.5
71.01260	2.2
73.02833	1.2
75.00780	0.4
82.92789	0.3
83.01288	0.7
85.02828	0.9
87.00765	0.5
88.98729	0.3
89.02329	0.7
93.03347	0.4
95.01273	0.4
96.95918	0.6
97.02817	0.4
98.19803	0.5
99.00762	0.4
99.04409	0.9
101.02331	2.5
103.96214	0.3
108.02052	0.4
109.02851	0.8
109.06519	0.5
113.02354	1.1
116.92728	0.3
119.04942	0.8
121.02889	0.8
125.02363	1.7
133.02873	0.8
135.04425	1.4
137.02399	0.5
145.02942	0.3
148.01620	1.3
149.02357	0.9
151.00380	0.4
153.01891	0.3
161.02348	0.5
161.04535	0.5
163.11227	0.4
165.05470	0.3
165.12920	0.3
175.03899	0.6
189.09059	0.3
190.02602	0.4
197.11819	0.6
201.09264	0.3
202.02592	0.3
203.03419	0.7
204.07761	0.3
207.10258	1.2
209.11784	2.2
211.07541	0.4
215.03473	1.2
219.54730	0.3
225.11314	0.6
227.03450	1.7
229.05037	0.5
229.49695	0.4
241.05013	0.3
243.06546	0.3
245.08195	0.5
253.05104	4.0
253.09242	0.4
254.05502	0.6
255.06673	0.6
267.06659	0.8
279.06592	0.4
283.06158	0.7
284.03244	0.3
291.06839	0.4
293.04507	0.3
295.06241	1.2
297.03961	0.5
298.04898	0.7
307.06177	0.5
309.04242	0.6
310.04752	0.5
311.05676	1.2
312.06430	0.6
313.07074	0.4
319.78943	0.3
323.05746	5.2
323.09271	0.7
323.12836	0.6
324.06247	1.3
335.05624	1.0
336.06516	0.4
337.10959	0.7
339.12390	0.5
341.06711	1.6
344.05380	0.9
350.11661	0.5
351.08856	0.8
351.12482	1.0
352.09259	0.4
353.06790	0.9
356.05392	0.7
365.10327	0.6
366.11206	2.0
367.11960	2.4
368.11984	0.4
369.13766	0.3
374.06729	0.6
377.10046	0.6
378.11215	0.4
379.11945	12.5
380.12271	1.5
395.11472	1.3
396.12189	3.1
397.12988	100.0
398.13321	9.3
411.14703	0.4
412.15179	0.8
424.15363	1.9
425.16254	0.4
439.14005	0.6
440.14856	8.2
441.15128	0.7
454.16266	0.4
455.17188	33.4
456.17456	4.3
541.17334	0.8
559.18341	12.0
560.18488	2.1
579.19440	0.4
583.35022	0.4
601.19379	8.5
602.19879	1.5
641.22571	0.7
643.38330	0.3
653.32184	0.5
659.23334	0.4
659.39514	0.5
663.61914	0.4
697.36920	0.3
703.23132	2.1
703.40527	0.4
704.23004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50371	0.5
57.03326	1.2
59.01264	14.5
61.98717	9.6
65.15809	0.5
69.18078	2.6
69.18494	1.9
71.01268	6.9
72.99196	1.2
73.02834	2.0
75.00752	0.9
78.95789	0.5
83.01277	1.7
83.04908	1.6
85.02837	3.4
85.06471	0.6
87.00771	3.2
88.98701	0.6
89.02337	5.1
93.03358	0.5
95.01316	0.5
96.95889	1.2
97.02843	1.0
98.20567	1.1
99.00770	1.5
99.04426	1.0
101.02339	5.1
107.01271	0.6
108.02084	0.7
109.02881	0.6
111.04427	0.6
113.02364	3.0
117.03251	0.4
119.03395	1.0
119.04922	1.3
121.02892	0.9
121.06516	0.5
123.04429	0.6
125.02372	2.1
127.03929	1.2
131.07076	1.3
134.03656	0.6
135.04456	1.4
137.02391	1.1
139.03923	1.6
145.02861	0.8
147.04503	0.6
148.01622	4.6
149.02365	0.8
151.00322	1.1
151.03902	0.8
151.07616	0.8
152.01077	1.1
152.23576	0.4
160.03848	0.5
161.02409	0.8
161.04485	1.2
165.05469	1.6
175.02414	0.6
175.07524	0.6
179.05502	0.9
181.04976	0.5
193.04953	0.7
215.03493	0.7
216.04214	0.4
217.08717	0.7
221.06699	0.8
238.06204	0.5
239.07121	0.5
241.05174	0.7
251.07198	0.6
253.05193	0.6
256.04001	0.4
267.06696	0.9
268.07208	0.5
269.04599	0.6
269.07928	0.5
271.06232	1.7
279.06595	1.1
281.04660	0.8
282.05347	0.5
283.06100	0.6
287.22318	0.8
297.04367	0.5
297.07605	0.6
298.04645	0.5
299.05756	1.2
307.06241	1.0
309.04086	1.1
311.05576	0.9
312.06436	1.2
323.05649	2.0
323.09113	0.5
325.07211	1.4
327.22656	0.5
335.05640	1.2
340.05869	1.3
341.06625	0.7
342.07275	1.1
349.10776	0.6
353.06717	1.7
355.08362	0.7
361.10913	0.6
365.10211	0.9
367.11880	1.4
377.10403	0.9
379.12018	4.6
380.12628	0.7
381.09680	0.9
381.13986	0.7
393.13501	1.1
395.11261	2.2
410.13766	2.5
411.14899	2.3
422.14047	0.7
439.14069	7.7
439.20001	0.7
440.14835	37.9
441.15195	4.0
453.15494	0.9
455.17200	100.0
456.17554	13.3
481.18134	0.5
481.35486	0.9
541.30414	0.5
579.17200	0.6
643.25177	0.8
643.37512	1.1
659.23676	5.7
659.36615	5.2
660.23901	0.9
702.42914	0.6
703.22809	4.7
703.35040	4.7
704.33582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	45.8
58.03676	0.7
59.01267	10.2
59.82547	0.5
61.98717	84.0
62.98428	0.6
69.44521	0.6
70.99819	1.2
71.01276	3.3
73.02839	0.8
75.00773	0.7
81.03326	0.6
83.01282	1.1
85.02862	1.3
87.00791	1.4
88.98730	0.6
89.02344	1.0
90.28832	0.5
96.95935	1.0
96.99268	0.5
99.00821	0.6
99.04424	20.9
101.02345	10.2
113.02390	0.9
119.04935	0.7
125.02370	17.4
125.03264	1.0
129.01898	0.7
133.02917	2.8
135.04503	0.6
137.06012	0.6
149.02361	0.9
151.00314	0.8
161.02457	0.6
161.04460	0.7
162.67818	0.5
165.05482	0.8
166.69987	0.5
168.20639	0.5
175.03952	0.6
176.01019	0.6
176.51277	0.5
177.05524	1.6
189.05583	2.5
190.06334	1.2
203.03467	0.7
205.05075	2.6
211.13530	0.7
215.03470	0.9
216.04198	0.5
217.04889	0.5
231.02994	0.9
231.15527	0.6
233.04622	1.6
240.04218	0.7
259.06198	0.5
267.10327	1.1
268.03741	0.8
270.01794	3.4
279.06824	0.6
284.03262	1.2
295.02762	0.8
295.09894	1.5
296.03461	0.7
297.00623	0.9
298.01349	0.9
305.08829	0.8
311.09296	0.7
312.02792	1.6
321.07889	0.7
322.08420	0.8
323.02109	1.1
323.09497	0.9
337.03622	0.6
338.08060	2.2
339.05325	0.9
339.08783	22.5
340.09180	1.9
349.07275	0.7
350.08109	1.1
351.08887	0.9
352.09381	0.7
353.10394	3.8
363.09088	0.7
365.06754	0.7
366.07407	3.6
367.08279	31.8
368.08850	3.1
380.09006	1.2
381.09833	18.9
382.10629	50.9
383.10977	5.7
395.11542	2.6
396.12204	4.3
397.12991	100.0
398.13306	12.1
525.31952	0.6
526.14777	0.6
541.17194	2.4
544.16040	3.6
545.15955	0.7
559.18323	48.7
560.18781	6.9
585.15723	0.9
586.17126	3.9
587.17755	0.7
591.66479	0.5
601.19373	52.3
602.19672	9.7
641.22485	0.6
643.39899	0.7
703.22681	0.8
703.39673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30207	0.2
58.86906	0.2
59.00992	0.4
59.01265	4.4
61.98717	6.7
68.99704	0.3
71.01266	1.5
71.01596	0.2
71.54336	0.3
72.99187	0.6
73.02837	0.7
75.00772	0.4
83.01260	0.3
85.02837	0.6
87.00775	0.4
87.63582	0.2
89.02334	0.8
96.95901	0.8
97.02879	0.2
101.02354	1.1
109.02866	0.2
113.02337	0.7
119.04900	0.3
121.02864	0.5
125.02345	0.6
133.02846	0.4
136.01553	0.3
137.02356	0.3
145.02895	0.5
148.01587	2.4
149.02391	0.5
149.06082	0.2
151.00375	0.4
160.01556	0.2
161.02318	0.3
163.03990	0.2
163.07709	0.2
165.05513	0.4
174.03181	0.3
175.03963	0.4
176.08350	0.3
177.01910	0.3
179.07079	0.2
189.01888	0.4
189.05544	0.3
191.07161	0.3
195.55721	0.2
201.01868	0.3
201.05540	0.3
203.03479	0.2
204.07877	0.3
207.10246	0.5
209.11815	0.5
213.27457	0.2
215.03516	0.7
217.04984	0.3
225.05571	0.4
225.11211	0.2
227.03471	0.3
231.06639	0.5
233.07997	0.2
239.07137	0.6
241.04979	0.3
251.07248	0.5
253.05002	0.4
253.09216	0.3
264.27408	0.2
267.04099	0.2
267.06693	1.8
268.07025	0.2
269.04520	0.4
270.05463	0.3
279.06683	0.9
281.04556	0.4
282.05444	0.7
283.06238	0.4
291.12634	0.3
295.06131	2.2
295.09369	0.3
296.06720	0.3
297.04074	0.6
307.06192	2.7
307.09445	0.4
308.06519	0.5
309.04172	0.4
309.11346	0.9
311.05725	0.9
312.06461	0.2
321.11395	0.5
322.11945	0.3
323.05676	4.2
323.09314	1.5
328.05844	0.3
329.26755	0.3
335.05664	0.3
335.09454	0.3
337.07416	0.3
337.10837	1.8
338.11642	1.0
339.12338	0.2
349.10873	0.7
350.11639	2.2
351.08731	1.3
351.12268	1.2
363.08469	0.4
363.12476	0.6
365.10300	0.7
366.11057	3.0
367.11771	0.7
369.09860	0.8
377.10352	0.5
379.07776	0.3
379.11914	1.6
380.12738	0.3
381.09427	0.4
381.13672	0.5
391.11646	0.3
393.13495	0.5
395.11392	1.2
397.09189	0.9
397.13672	0.4
404.12881	0.3
406.14194	0.6
407.15051	0.3
411.14621	1.2
412.15320	3.0
413.15628	0.3
422.13681	0.9
424.15363	10.2
425.16159	3.2
437.16006	0.6
439.14288	1.3
440.14847	17.5
441.15070	2.5
453.15451	0.4
454.16550	0.5
455.17197	100.0
456.17493	11.6
456.24026	0.4
480.34262	0.3
617.22412	0.4
642.39905	0.3
643.37671	0.5
659.23553	1.9
660.23553	0.3
703.27942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37261	1.0
59.01266	100.0
71.53275	1.6
77.70541	1.0
78.95786	2.6
92.81284	1.1
139.38765	1.0
152.99461	1.8
167.68777	1.2
197.23820	1.0
233.51668	1.1
255.23262	2.2
438.13464	6.0
439.13348	1.4
452.15344	1.4
481.15305	44.7
482.15402	9.6
495.16995	10.4
496.17096	3.4
497.18805	6.2
498.18765	1.8
514.15143	2.5
539.16132	2.3
540.16583	10.8
541.17285	2.6
553.17615	1.4
554.18103	1.8
555.18988	75.5
556.19183	13.0
567.18964	3.3
568.19623	1.6
569.20502	2.2
572.15704	24.7
573.16022	6.7
586.17145	4.4
627.21216	2.5
641.22668	33.2
642.22626	9.3
701.24841	83.5
702.25061	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	701.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01600	1.3
70.27592	0.9
81.74409	0.2
189.32065	0.2
191.26463	0.2
219.80280	0.3
230.81056	0.2
236.00325	0.3
288.60623	0.2
423.11221	0.3
437.12775	0.7
438.13474	3.4
439.13748	0.9
451.14264	0.9
452.15186	1.8
453.15646	0.7
466.12943	0.7
467.13950	0.7
470.12408	0.3
480.14572	0.9
481.15274	29.7
482.15604	6.8
495.16843	11.6
496.17480	2.7
497.18509	4.9
498.18582	0.9
509.14853	0.4
514.15143	2.0
515.15472	0.4
523.16431	0.7
525.14099	0.9
539.15558	1.7
540.16595	7.2
541.16766	1.5
551.19562	0.4
553.17529	0.7
554.18152	2.5
555.18976	43.5
556.19202	8.5
567.18781	0.9
568.19226	0.4
569.20392	0.3
572.15607	14.1
573.15906	3.0
586.17188	5.0
586.26013	0.1
587.17084	1.2
609.20154	1.3
627.20886	0.9
641.22675	23.0
642.22955	5.0
701.24792	61.9
702.25049	15.0
702.34741	0.2
705.61542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03338	2.3
58.00492	1.0
59.01263	44.2
61.98722	10.0
65.03832	0.8
71.01268	15.9
71.38244	1.2
72.99186	2.2
73.02834	5.9
83.01270	3.3
83.04909	3.5
84.55367	0.9
84.76469	0.9
85.02837	5.5
87.00777	5.8
89.02338	6.4
95.01288	1.6
95.04946	0.8
96.95923	2.6
97.02861	1.0
97.06486	2.3
99.00775	1.8
101.02357	10.7
107.04932	0.9
109.02877	2.3
109.06501	2.3
111.08074	1.8
113.02364	6.8
119.03434	2.0
119.04931	2.3
123.04446	0.9
125.02350	2.1
125.09635	2.5
132.54921	0.9
133.02827	2.1
135.04453	0.9
137.02356	3.0
137.06010	1.6
137.09680	1.6
143.03444	1.0
145.05005	1.4
149.04390	1.0
149.06152	0.9
151.00246	1.0
151.03825	0.9
153.05556	1.1
161.02336	1.1
161.04512	3.4
165.05482	3.5
171.10243	22.3
175.03957	1.1
187.14761	1.1
205.16077	1.5
207.10263	0.9
209.11827	3.9
211.13397	2.7
215.07191	1.0
215.14432	2.9
221.15378	1.1
231.13959	1.5
233.15462	9.2
235.08202	3.3
249.15005	8.3
253.09239	1.4
269.08090	1.6
321.11371	1.3
323.05511	1.5
335.09375	1.2
341.25009	2.0
345.16141	0.9
349.10852	14.3
350.11249	2.2
353.10690	0.9
359.25919	1.8
361.10806	2.7
365.10315	2.4
375.25293	2.0
377.10297	17.4
377.13983	1.0
378.10889	1.6
385.23999	7.6
393.09683	2.0
395.11649	2.0
403.24948	13.5
404.25385	1.3
405.13306	0.9
406.14114	0.9
407.15112	2.8
408.15961	5.0
419.15005	1.3
420.10751	1.4
420.15881	10.6
421.16602	4.1
421.26105	2.5
435.14615	1.8
436.15353	15.9
437.15823	2.5
449.15958	1.4
451.17740	100.0
452.18149	17.3
477.32108	1.1
479.33893	1.0
537.21320	9.5
538.21637	1.3
546.58453	1.0
595.39215	4.2
611.34375	1.7
613.39380	1.2
621.32990	30.4
622.33453	5.2
628.21539	1.5
639.33838	33.1
640.34082	5.8
655.39972	3.7
699.26373	8.4
699.39532	7.6
700.27039	1.3
712.51471	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.1
57.03334	2.8
58.00481	1.3
59.01266	18.1
61.98717	5.4
67.01772	0.8
67.82874	0.5
68.99699	1.6
69.03351	1.5
70.46506	1.5
71.01270	21.7
72.99194	6.0
73.02835	3.1
75.00766	12.2
81.03337	0.6
83.01260	3.6
83.04951	0.4
84.02077	0.5
85.02843	16.1
87.00764	5.7
88.98691	0.7
89.02332	5.1
93.03362	1.5
95.01291	4.2
96.95929	1.5
97.02873	0.8
99.00777	7.7
99.08035	0.5
101.02357	5.8
103.00279	1.3
107.04958	0.4
108.02106	2.6
109.02226	0.4
109.02888	1.7
111.00802	1.5
112.01622	0.5
113.02360	15.1
115.00286	1.5
115.03957	0.5
116.92751	0.6
117.01846	1.6
119.03386	0.5
119.04951	1.6
121.02876	13.3
122.02429	0.8
122.03236	0.6
123.00784	0.5
123.04418	0.6
125.02367	1.9
127.00285	0.4
129.01823	1.0
131.03491	0.5
134.03677	0.4
135.02979	0.5
135.04420	1.3
136.01602	4.9
137.02356	1.8
145.02872	0.7
149.02411	1.0
149.06039	0.7
151.03947	9.7
152.01091	4.5
152.04320	0.5
153.01819	0.6
157.01370	0.7
161.02455	0.9
161.04492	1.1
161.05878	0.5
163.03970	1.7
164.04764	0.5
165.01912	0.7
165.05504	1.0
167.03493	1.0
169.05095	0.5
175.02420	1.6
175.03868	0.7
176.04758	0.7
179.03404	0.4
179.05714	0.4
179.07114	0.6
181.04944	0.4
191.07103	0.8
193.04988	0.5
205.05240	0.4
205.07219	0.5
209.08185	0.6
223.06143	0.6
230.08211	0.5
231.05096	0.9
249.06163	5.4
257.09241	0.5
267.07254	1.1
269.21292	1.1
281.13910	0.5
282.08987	0.8
285.13348	0.5
287.22345	14.5
288.22726	1.2
293.04700	0.8
297.11313	3.5
311.13040	0.7
325.11081	0.5
327.12454	8.1
328.12875	0.9
335.05801	0.9
337.06320	0.5
341.13913	0.5
413.09027	0.6
431.26645	5.0
449.27673	20.3
450.27838	2.7
456.09924	0.6
457.10574	0.9
507.20486	1.2
537.21399	10.5
538.21460	2.3
577.14825	1.6
609.30975	0.5
681.33838	0.8
699.34711	100.0
700.24683	0.9
700.35059	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08435	0.2
54.34079	0.2
57.22030	0.2
58.40198	0.2
59.01262	2.7
61.98714	1.8
70.78562	0.5
70.78934	0.4
71.01267	0.4
80.54272	0.2
88.98665	0.3
89.02360	0.2
96.95937	0.3
114.08920	0.2
121.02895	0.4
123.04430	0.3
130.81456	0.2
133.02875	0.7
135.04453	0.6
145.02934	0.3
148.01590	2.8
149.02357	0.4
161.02443	0.3
163.07695	0.3
171.10219	2.7
173.09778	0.2
175.03969	0.2
187.03957	0.2
187.07585	0.3
189.01816	0.4
197.06042	0.3
201.01845	0.4
203.07202	0.3
213.02031	0.5
215.03436	0.6
216.04066	0.3
223.03778	0.2
227.07088	0.3
231.06635	0.9
235.09789	0.2
239.07025	0.3
240.04202	0.3
241.05235	0.3
245.08258	0.3
253.05040	0.5
254.05844	0.5
255.06538	0.3
256.07410	0.5
257.02591	0.2
257.08118	0.3
265.05099	0.5
266.05933	0.4
267.03094	0.4
267.06631	1.1
268.03946	0.3
269.04608	0.3
277.08820	0.2
279.06604	0.5
281.04559	1.3
282.05338	0.5
291.19696	0.4
293.04605	0.8
293.11871	0.5
294.05402	0.4
295.02585	0.5
295.06104	0.7
296.03275	0.4
297.04117	0.6
305.08176	0.3
307.06207	0.6
309.04224	1.3
309.11426	0.6
309.20877	0.8
310.04910	0.5
311.05734	0.9
314.04523	0.4
321.04257	0.5
321.11337	2.1
322.04843	0.7
322.11752	0.3
323.05630	3.6
323.09326	2.8
324.06265	0.4
324.09787	0.4
325.07535	0.3
335.05655	0.4
335.09311	0.3
336.09909	0.4
337.07281	0.7
337.10886	8.4
338.11301	0.9
347.09329	0.3
349.10925	0.3
350.11658	0.7
351.08789	2.1
351.12503	0.4
352.09177	0.3
354.15448	0.2
363.08969	0.5
364.09644	0.9
365.10364	5.1
366.11157	3.4
367.11615	0.5
375.08789	0.4
379.11981	1.3
380.12680	0.6
381.13464	0.5
393.09799	0.6
396.08575	0.5
407.14862	0.5
408.16199	0.3
412.08109	0.5
418.14166	1.9
419.14941	0.4
420.15884	0.4
421.13010	0.3
423.19464	0.2
435.14597	0.9
436.15350	41.7
437.15720	6.0
451.17712	100.0
452.18073	13.2
474.83292	0.3
639.41644	0.4
655.24359	0.4
699.40570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78638	0.1
52.42809	0.1
55.01777	0.1
57.03329	0.4
59.01270	1.4
61.98462	0.1
61.98722	1.1
66.91985	0.1
69.03344	0.3
71.00903	0.2
71.01274	2.4
71.51389	0.2
72.99208	0.2
73.02847	0.6
74.23936	0.1
75.00746	0.1
81.03353	0.5
83.01279	0.5
83.04916	0.2
85.02845	2.2
87.00766	0.3
88.98680	0.3
89.02341	0.5
93.03343	0.8
95.01282	1.5
96.95898	0.4
97.02827	0.3
99.00764	0.6
101.02345	1.1
107.01344	0.1
107.04931	0.2
108.02077	44.7
109.02876	15.7
110.03204	0.5
113.02365	1.1
116.92758	0.2
117.03345	0.2
119.03450	0.2
119.04951	0.4
121.02877	0.9
122.02425	0.1
122.03725	0.1
123.00800	1.1
123.04436	0.7
125.02331	0.8
133.02867	0.4
134.03639	0.2
135.00795	0.2
135.04428	0.5
137.02374	0.4
139.04037	0.1
147.04428	0.1
149.02376	0.3
151.00308	0.4
151.03947	1.2
152.01093	43.9
153.01877	24.5
154.02229	0.7
160.03984	0.1
161.02364	0.3
161.04466	0.3
163.03983	1.2
165.01860	1.3
165.05507	0.2
166.02541	0.1
175.03955	0.2
177.01952	0.2
179.03490	0.2
181.04993	0.3
195.02919	0.2
195.06631	0.2
205.05142	0.2
207.02905	0.2
225.03995	0.3
269.04562	0.1
287.05481	0.1
315.07285	100.0
316.07623	5.5
450.61255	0.1
477.10919	0.2
537.16223	0.5
699.22162	0.3
700.19287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32517	0.4
59.01267	1.0
61.16990	0.3
61.98719	100.0
62.68997	0.4
70.06012	0.4
71.01263	0.6
71.53471	0.5
71.90062	0.4
76.95522	0.3
82.65572	0.4
89.02361	0.7
99.00797	0.5
101.02373	0.8
109.02858	0.7
152.24786	0.4
153.01900	0.6
236.36406	0.5
269.70813	0.4
295.82120	0.4
299.64276	0.4
356.16602	0.4
376.94690	0.4
652.74310	0.4
680.95404	0.5
698.19122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.2
57.03330	2.6
59.01264	36.0
61.98716	6.3
69.03354	1.1
71.01270	13.4
71.25626	2.0
73.02840	5.8
83.01277	69.7
83.04911	3.4
85.02861	5.4
87.00771	3.0
89.02338	4.6
93.03359	2.3
96.95913	3.0
97.02821	1.1
99.00772	14.6
99.04388	1.1
101.02345	26.7
109.02856	5.0
113.02355	4.7
119.04926	2.8
121.02845	2.7
123.00758	1.6
123.04410	1.7
125.02392	4.9
125.03120	0.9
127.00293	45.8
127.20576	0.9
131.04980	0.9
132.02142	1.1
133.02888	2.2
135.04402	2.1
136.05193	1.3
137.02361	1.9
137.06007	15.9
138.03096	1.0
139.03853	1.7
141.01830	2.4
145.01334	3.5
145.02866	1.9
148.01625	4.7
149.02383	5.7
149.05997	2.8
150.03113	2.3
151.00317	2.2
151.03966	2.1
153.05457	2.4
161.02432	1.7
161.04457	2.3
163.03935	1.6
163.07616	1.2
164.04720	2.8
165.05519	21.1
169.01328	1.2
174.03156	1.5
175.03894	1.4
177.01849	4.1
179.05585	1.0
179.07112	1.9
183.13838	1.2
185.06020	1.5
187.07506	1.4
199.07521	1.2
202.02820	0.9
202.06384	2.2
203.07060	1.9
215.03496	1.8
215.07079	1.6
217.08627	2.7
223.06081	3.1
229.05133	4.8
239.07144	1.5
241.05045	2.2
245.73148	1.0
255.06735	4.4
256.07410	3.3
258.39948	1.0
265.05078	1.1
267.06653	2.1
268.07352	2.3
276.07831	1.2
278.59830	1.1
283.06085	2.2
286.08621	1.4
287.22336	1.9
289.05789	8.7
291.10239	2.0
293.04779	1.5
293.08136	1.9
295.06003	1.4
304.11090	1.0
305.08221	1.3
307.06375	1.1
307.09686	1.9
310.04846	1.3
311.05600	4.8
312.06314	3.6
313.07077	3.4
319.09741	2.6
320.10391	1.0
321.04205	1.2
321.07571	2.8
321.11029	1.5
323.05676	2.3
335.05588	1.0
335.09079	5.1
336.09900	2.2
337.07181	1.1
337.10895	1.8
347.09207	5.1
348.09995	3.4
349.06998	1.3
349.10757	1.7
351.04996	1.7
351.08798	1.9
359.09399	1.6
359.18695	3.7
360.10059	3.9
360.18945	1.2
361.10831	2.4
363.09009	4.4
364.09485	3.6
365.10397	19.8
366.11093	9.4
367.11685	2.0
376.09537	1.4
377.10229	2.5
378.11191	11.3
379.11768	4.8
381.09766	2.7
383.11688	1.1
391.11829	1.3
393.09500	2.1
393.13889	1.7
394.10648	50.7
395.11279	11.3
407.11252	1.3
408.12173	1.1
409.12988	100.0
410.13229	11.1
421.12726	2.5
437.10913	1.3
449.15735	1.5
451.13837	5.7
465.15485	1.6
477.32193	3.8
479.17059	1.3
479.33896	3.9
480.17917	6.6
493.18277	1.2
494.19193	2.2
495.20355	18.6
495.33105	15.0
496.20621	1.2
509.21860	1.5
519.20288	1.7
536.20325	1.7
537.21375	41.2
538.21735	3.8
571.18268	2.8
595.38763	1.6
627.21490	1.4
630.00793	1.0
639.37170	5.4
655.20459	10.1
655.36530	2.9
656.21185	1.4
698.39325	1.9
699.17938	72.3
699.29401	7.1
699.39502	11.1
700.18896	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	697.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.8
58.00429	0.7
59.00961	0.8
59.01262	16.6
61.98721	9.9
69.03333	1.1
70.26949	2.2
71.00911	0.7
71.01271	11.5
72.99178	2.6
73.02865	3.8
74.78728	0.6
75.00756	2.6
83.01286	3.0
83.04924	0.8
85.02839	5.1
87.00758	2.7
88.98692	1.8
89.02345	6.7
93.03362	2.0
95.01299	2.1
96.95905	1.3
97.02811	0.8
98.19855	0.6
99.00774	3.9
99.04364	0.7
99.92467	0.8
101.02341	6.2
107.04957	0.9
108.02070	10.8
109.02895	3.7
111.00754	0.7
113.02370	4.9
116.10077	0.7
116.92783	4.4
117.03362	3.9
119.03422	1.9
119.04931	5.4
121.02870	5.1
122.03608	0.8
123.00815	0.9
123.04424	2.4
125.02378	3.5
131.04968	0.8
133.02887	1.0
134.03630	2.0
135.04440	3.2
136.01601	23.4
136.05057	1.1
137.02434	4.5
143.03465	1.4
145.02888	11.4
146.03706	0.7
147.04422	2.1
149.02373	2.3
149.05997	1.3
150.03149	2.5
151.00325	1.1
151.03951	26.6
152.01088	13.6
152.04243	0.8
153.01828	1.4
153.05475	0.6
158.03668	1.1
159.04416	1.4
160.01671	0.9
160.03946	0.9
160.05211	1.2
161.02382	1.9
161.04500	2.5
161.06033	2.2
162.03152	1.5
163.03970	8.8
164.04695	2.1
165.05460	1.7
171.10278	1.4
172.05235	1.2
173.06020	1.4
174.01662	1.2
175.02530	0.8
175.03978	2.6
175.07562	0.9
176.04773	1.5
177.05524	1.8
178.02713	0.7
178.06314	3.1
179.03336	0.8
179.05542	3.4
179.06976	1.2
187.03856	1.4
187.11252	0.7
188.04794	0.6
189.05576	3.8
190.06297	3.2
191.07050	1.2
193.04982	1.8
193.08678	2.9
205.05194	1.1
209.08273	0.8
223.06120	1.8
240.04198	0.9
241.04997	1.8
253.05038	2.2
255.06566	1.0
265.04971	1.0
266.05881	2.0
267.06699	1.8
268.07318	0.8
269.04660	7.9
270.04984	1.9
278.05960	1.2
279.06589	1.3
280.07367	3.0
281.04675	9.5
281.07907	1.7
282.05286	1.3
283.06256	1.5
284.06943	6.2
285.07272	1.0
287.22232	2.9
291.06766	0.8
292.07364	0.7
295.06073	1.7
295.09662	0.9
296.06949	9.4
297.07465	1.7
298.08466	0.7
299.09290	7.7
300.09601	0.8
303.06674	0.7
305.08194	0.9
309.07678	1.0
311.09305	7.7
313.10867	1.7
314.07928	1.3
321.07663	1.4
321.69211	0.8
323.09378	2.0
324.09848	1.8
329.10474	1.5
335.09222	0.9
336.10104	2.5
337.11050	0.9
338.11749	0.7
339.12421	2.9
355.12268	1.0
357.09698	0.8
365.06897	0.7
384.12509	1.0
399.14453	1.6
427.11954	1.9
430.14212	1.4
441.13391	0.7
442.14291	3.5
443.14697	1.1
445.17096	1.2
447.11249	3.9
449.27560	2.2
455.09747	1.2
457.17441	3.1
459.14600	1.2
460.15143	2.2
471.14639	0.9
472.15622	3.1
475.18311	7.8
487.13995	4.2
487.18130	3.1
488.13766	1.2
490.16492	4.2
491.16907	0.9
491.28946	1.7
499.19092	0.7
502.16595	5.7
503.16772	1.4
505.18799	59.8
506.19159	10.1
517.18768	100.0
518.19189	17.0
535.19910	20.2
536.20172	4.0
545.12848	1.2
575.14362	1.3
653.33972	0.8
661.38702	1.3
688.81744	0.9
697.22528	7.0
697.34094	12.2
697.82874	8.3
698.22833	1.6
698.33704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13726	0.4
57.03323	1.6
59.01264	17.7
61.98718	5.7
65.00209	0.6
66.93921	0.4
68.99702	0.5
69.03332	1.0
69.22495	4.3
69.22900	0.7
71.00903	0.8
71.01270	10.8
72.99190	1.9
73.02829	3.4
75.00749	1.2
80.69235	0.4
81.03346	0.7
83.01279	2.5
83.04916	0.6
85.02843	5.1
87.00758	2.0
88.98719	0.7
89.02329	3.8
93.03352	1.4
93.34652	0.5
95.01311	2.8
96.95901	1.0
97.02831	0.7
99.00787	3.2
99.04405	0.6
99.29810	0.4
101.02360	5.5
108.02080	47.9
109.02896	12.9
110.02425	0.5
111.00780	0.6
113.02361	6.0
114.01866	0.6
115.00267	0.8
116.92769	2.9
117.03389	2.5
119.04927	2.1
121.02893	2.7
123.00829	1.1
123.04456	1.4
125.02370	4.9
125.33952	0.5
131.03406	0.5
133.02859	1.4
134.03636	1.6
135.04445	2.5
137.02383	1.8
137.26347	0.4
139.07663	0.5
143.03398	0.9
145.02937	1.1
147.04482	1.0
149.02374	1.6
149.06065	0.8
150.03156	1.0
151.00320	3.2
151.03941	3.7
152.01094	100.0
153.01869	7.5
159.02966	0.5
161.02362	2.2
161.04457	3.5
163.03955	6.6
165.01852	1.2
165.05545	0.9
167.03430	0.8
174.01672	0.5
175.03957	1.8
177.01852	3.5
179.03499	1.9
179.05685	0.8
179.07094	0.7
181.05000	1.3
193.05032	1.4
203.03508	0.8
205.05029	0.9
207.03014	1.5
219.03011	1.2
223.06174	1.0
223.13268	0.7
253.05174	0.6
267.06696	0.5
269.04718	1.1
271.08521	1.0
283.06262	1.5
287.05817	0.8
287.22415	1.3
293.08286	0.5
295.06213	1.0
297.06610	0.8
307.06586	0.7
309.07962	1.1
311.05841	1.3
315.07336	2.7
323.05682	2.9
337.07196	0.9
339.05298	1.8
343.07773	0.5
351.05051	0.6
353.06656	0.7
353.10583	0.7
357.08350	0.6
365.06714	3.2
403.12439	0.6
425.09662	0.7
429.10452	6.6
430.10782	1.0
447.11511	32.0
448.12021	3.5
455.10257	1.5
458.59937	0.5
459.11624	0.5
485.11240	0.7
535.22229	0.6
563.25598	0.7
575.14105	4.3
631.55969	0.5
653.25458	1.4
661.38727	0.5
679.23883	0.6
697.24261	84.2
698.24689	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	697.2366
Annotation	Preclathridine A
Peak:m/z	Relative Intensity
53.45259	0.4
55.01789	0.4
57.03339	1.6
59.01263	14.9
60.01602	0.4
61.98716	4.8
69.03343	1.1
69.32816	2.0
69.33243	1.9
71.00901	0.6
71.01276	8.4
71.15033	0.4
72.98099	0.5
72.99194	1.3
73.02842	2.7
75.00777	1.2
81.03332	0.5
83.01279	1.8
85.02843	5.1
87.00783	1.7
88.98693	0.7
89.02337	3.7
93.03349	1.0
95.01279	2.1
95.04955	0.6
96.95884	1.0
97.02837	0.9
99.00771	2.9
101.02348	4.6
107.04897	0.7
108.02080	51.8
109.02889	12.2
110.02370	1.0
112.03957	0.4
113.02364	6.5
115.00336	0.5
116.92783	1.1
117.03371	1.3
119.03387	0.7
119.04943	1.9
121.02864	2.7
123.00810	1.3
123.04464	1.2
125.02372	2.2
133.02895	0.7
134.03682	1.2
135.04433	2.2
136.01614	0.7
137.02391	1.1
139.03908	0.5
141.28944	0.4
143.03429	0.5
145.02887	1.0
147.04430	0.6
149.02353	1.4
149.05978	0.5
151.00366	0.7
151.03957	3.1
152.01094	100.0
153.01814	6.3
153.05487	1.2
161.02412	1.2
161.04503	3.6
161.09671	0.8
161.13246	0.6
163.03967	6.0
163.11212	0.7
164.04585	0.5
165.01892	0.5
165.05545	0.9
165.09120	0.4
174.01639	0.6
175.03940	0.8
177.01907	1.8
177.05424	0.5
179.03416	1.3
181.04994	0.6
183.13867	0.8
185.02576	0.5
187.11220	1.0
189.09146	0.5
193.04979	0.7
205.12321	0.9
207.02914	0.9
215.03561	0.6
223.06110	0.7
223.13432	1.5
230.08130	0.5
253.05020	0.5
255.03145	0.5
267.12552	0.4
269.04321	0.5
271.08499	0.8
289.09219	0.9
293.04465	0.5
295.05881	0.5
305.04379	0.4
311.05630	0.5
315.07306	2.2
329.06494	1.0
335.05753	3.1
353.06705	0.6
365.06589	0.8
373.26080	1.0
403.12506	1.6
429.10382	7.5
430.10782	0.9
447.11536	29.1
448.11844	2.8
455.09753	1.6
456.09766	0.6
485.10693	0.9
497.34790	1.0
505.18723	1.2
517.18604	2.8
534.95209	0.5
535.19818	0.8
575.14368	2.3
576.14264	0.5
635.23572	0.7
637.21283	1.2
653.24902	3.5
679.22418	0.9
697.23639	77.6
698.23895	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	697.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35227	1.2
50.63090	1.3
51.10402	1.3
59.01262	14.8
65.71643	1.2
71.53647	2.1
80.67359	1.4
87.51822	1.5
116.92775	8.9
133.02922	1.6
137.06029	2.0
165.05551	3.0
169.25533	1.4
255.06732	3.2
291.10284	2.2
307.09906	2.5
335.09140	7.7
347.09299	6.0
348.10086	4.4
363.08746	5.4
406.14294	3.5
418.14172	3.3
419.14868	1.8
434.13766	16.6
435.14145	2.0
449.16147	100.0
450.16483	9.7
493.18506	1.7
493.31891	2.6
636.14618	1.6
637.35974	2.0
697.28064	7.6
697.38654	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	697.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90008	0.2
57.03335	0.6
58.00462	0.2
59.01266	3.2
61.98720	2.3
68.54584	0.2
69.59691	1.7
71.01271	2.6
72.99218	0.4
73.02854	1.1
82.39962	0.2
83.01286	0.6
85.02851	1.7
87.00787	0.4
89.02350	1.2
91.01788	0.2
93.03355	3.8
95.01259	0.3
96.95915	0.8
97.02893	0.4
99.00762	0.5
101.02351	1.4
103.03924	1.6
108.02061	0.6
109.02837	0.7
113.02358	1.1
116.92770	0.5
117.03381	17.0
118.03725	0.7
119.04944	1.0
121.02866	4.9
123.04395	0.3
125.02373	1.2
127.46712	0.2
129.03400	0.3
129.20447	0.3
131.04984	0.4
133.02863	0.4
134.03667	0.4
135.04381	0.7
137.02402	0.9
143.04852	0.3
145.02893	1.3
149.02397	0.6
149.06053	0.4
151.00282	0.5
151.03955	0.4
152.01096	1.1
153.01859	0.6
153.05457	0.3
159.04456	0.6
160.03957	0.3
161.02403	3.4
161.04529	0.5
163.03979	1.8
164.41127	0.3
165.01952	0.3
165.05528	0.3
167.03288	0.2
171.04436	0.5
173.02403	10.5
174.02893	0.5
175.00345	0.5
175.03963	0.4
177.01913	0.6
177.05504	0.7
177.53304	0.2
179.03441	0.5
182.02194	0.3
185.02408	3.2
187.03966	3.0
188.01152	0.3
188.04494	0.3
189.01904	4.6
190.02502	0.5
191.03467	0.5
193.05092	0.5
197.02443	2.7
197.04538	1.3
199.04013	0.3
201.01935	1.0
203.03508	0.8
214.02669	0.3
215.03500	6.1
215.05435	0.5
216.03848	0.5
217.01450	4.7
217.04868	0.4
227.03482	0.4
235.07597	0.9
241.01431	2.5
245.04668	0.3
251.07121	0.7
253.08878	0.3
261.05496	0.5
262.06348	0.3
263.07202	1.1
267.03168	0.3
271.02515	0.5
277.05151	0.5
278.05865	0.4
279.06757	0.6
283.06088	0.5
289.04959	0.4
291.06412	0.3
293.04590	1.9
295.06180	0.3
297.07858	0.3
305.04581	6.4
306.05389	6.5
307.06158	9.7
308.06497	0.8
311.05731	0.8
317.04474	0.7
319.06412	0.3
321.04111	0.3
323.05719	0.7
329.06720	0.9
335.05688	74.7
336.06033	8.1
337.07086	0.4
338.04367	1.7
339.05090	0.2
365.06641	1.9
373.26047	0.7
377.06799	0.6
395.07840	2.1
425.08078	0.2
455.09955	84.9
456.10287	10.3
485.10562	0.3
575.14203	100.0
576.14539	13.7
624.30957	0.5
697.16455	1.4
697.28442	0.8
697.39337	0.4
698.17694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41331	0.2
59.01263	100.0
60.01594	1.1
61.98712	0.8
67.95763	0.2
71.01266	0.6
71.53850	0.4
73.02840	0.2
85.02872	0.4
88.78539	0.2
89.02378	0.3
93.03369	0.5
96.95913	1.3
99.92511	0.3
101.02370	0.4
116.92775	4.9
121.02892	1.9
125.02374	0.3
135.04439	0.3
137.06071	0.4
151.67241	0.2
165.05592	0.3
171.10350	0.2
191.03506	0.8
209.04495	1.3
213.05583	0.6
309.20364	0.2
385.14108	0.3
449.16357	0.3
492.30209	0.4
535.20380	0.8
593.13678	0.9
597.82617	0.3
697.27112	1.1
697.39093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87504	0.3
55.33590	0.3
59.01266	100.0
60.01608	1.1
60.78514	0.4
62.88177	0.4
70.01305	0.9
70.01717	0.9
78.95798	9.8
85.78521	0.3
98.20584	0.4
149.00044	0.5
166.56822	0.4
205.16049	1.3
427.19046	0.4
447.13278	0.4
653.31451	0.4
695.31323	41.5
696.31677	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	696.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40774	0.5
57.03362	2.1
59.01265	9.9
59.01532	0.8
61.94025	0.5
61.98717	7.8
61.98997	0.5
65.00241	0.7
69.03360	0.9
70.02865	21.7
70.76133	1.3
70.76499	1.2
71.01268	9.1
72.99226	1.4
73.02858	1.6
75.00778	0.6
81.03386	0.6
83.01324	1.9
84.97427	0.5
85.02854	3.6
87.00816	2.2
88.98690	0.8
89.02361	2.3
91.05480	1.8
93.03376	1.5
95.01330	1.3
96.95938	2.0
96.99226	3.0
97.02882	1.1
99.00812	1.7
101.02346	3.4
105.07023	0.7
107.04949	0.8
108.02077	18.6
109.02858	10.7
113.02356	3.2
114.01882	54.2
115.00336	1.7
115.02249	1.2
116.92814	1.6
117.03362	10.1
117.04169	0.6
117.07047	0.9
118.06610	0.5
119.03465	0.6
119.04964	1.8
121.02859	7.5
122.03691	1.9
123.04462	2.2
125.02358	5.6
133.02869	1.6
134.03697	1.9
134.06032	6.6
135.04443	14.2
137.02408	1.1
137.06052	0.9
144.08144	1.2
145.02917	1.2
145.06578	0.7
146.06081	2.1
147.04445	6.5
149.02425	2.4
149.06056	2.7
151.00371	1.2
151.03960	1.9
152.01086	34.8
153.01901	2.8
153.05544	5.6
159.02887	0.6
160.01564	0.7
160.03973	0.8
160.05232	0.6
161.02368	1.8
161.04541	1.8
161.06053	4.0
162.06767	2.9
163.03973	2.2
165.01884	1.0
165.05525	6.1
167.03455	0.6
173.02434	0.5
173.06033	1.1
175.02438	0.6
175.03967	1.9
176.04518	0.6
177.01918	1.0
179.03552	0.6
179.05525	0.8
179.07095	14.1
179.08559	1.0
180.07480	1.0
187.07819	0.5
188.07155	2.3
190.02711	0.7
191.07153	2.5
192.07841	0.6
193.05064	2.1
194.05821	0.5
203.07065	0.6
205.04863	0.6
205.08714	0.8
205.12375	0.8
223.06079	1.0
223.13478	1.2
227.03481	0.6
232.06163	25.0
233.06491	1.4
253.08789	0.7
267.12323	0.7
269.04568	0.7
271.09818	0.8
283.09827	2.5
285.03964	0.7
293.04688	0.6
299.05640	0.9
301.10873	100.0
302.11215	8.7
305.04688	0.7
307.06091	0.9
311.05743	1.7
315.07379	0.8
325.60526	0.6
329.06744	11.8
331.08835	0.6
332.68396	0.6
335.05707	2.1
365.06509	1.0
425.08450	0.9
429.10480	3.0
447.11545	9.3
455.09808	1.6
463.16187	31.5
464.16647	4.3
485.10693	0.7
497.35074	0.7
498.35159	0.8
517.73663	0.6
545.13000	0.6
556.98431	0.7
561.16595	0.9
575.14288	3.3
578.18768	2.4
630.45007	0.7
637.21295	0.8
696.22870	18.6
697.23706	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	697.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.1
59.01258	0.5
61.98704	0.5
65.00206	0.3
71.01273	1.5
72.99186	0.5
73.02837	7.5
74.02351	0.3
74.03188	0.1
75.00761	0.1
83.01279	0.2
85.02860	0.1
87.00779	0.2
89.02328	0.2
93.03344	0.1
96.22111	0.1
99.00777	1.7
99.92484	9.4
100.92494	0.4
101.02387	0.2
107.01294	0.4
108.02145	0.2
109.02871	0.1
113.02311	0.1
114.93340	0.4
115.00285	0.3
116.03475	0.2
116.92773	100.0
117.01852	13.6
117.02734	0.2
117.03056	0.2
117.92778	5.3
118.01393	0.2
118.02186	0.3
119.04933	0.7
125.02383	0.5
131.91455	0.1
135.04414	0.1
137.02419	0.1
142.97160	0.1
151.00310	2.0
152.00951	0.2
160.04015	0.1
161.02321	0.2
163.03976	0.2
167.03406	0.2
175.00264	0.1
177.01930	0.4
179.03439	0.3
192.62328	0.1
193.01422	0.1
194.05843	0.2
209.06516	0.1
209.08098	0.7
221.69710	0.1
230.68008	0.1
245.73904	0.1
269.04669	0.2
271.06229	1.1
272.06549	0.3
293.04916	0.1
405.99393	0.1
419.17184	0.4
425.09149	0.2
459.11481	0.1
579.17438	2.0
580.17761	0.7
581.17938	0.6
680.73297	0.1
697.25604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.3
58.56025	0.4
59.01264	4.7
61.62826	0.4
61.98712	1.9
63.02289	1.7
65.00213	9.2
68.99709	0.6
71.01271	10.9
72.99200	9.5
73.02844	1.4
75.75016	0.5
83.01269	6.5
83.15662	0.4
85.02845	1.5
87.00770	0.6
89.02348	1.6
93.03368	4.6
96.95918	0.5
97.93061	0.6
98.20575	1.1
99.59935	0.4
99.92458	0.6
101.02335	1.6
107.01295	17.2
108.02129	1.1
113.02351	1.0
114.01891	0.6
114.93314	5.6
115.00272	2.7
116.92773	4.2
117.03370	1.9
119.04942	28.4
120.05307	0.9
120.23915	0.4
121.02906	0.8
125.02368	13.8
126.02747	0.5
133.02791	0.5
134.03650	2.6
135.04408	1.7
137.02359	0.9
143.04900	0.7
145.02885	5.8
149.02367	0.8
151.00308	84.8
152.00601	3.1
161.02379	0.7
161.04491	0.5
161.05962	1.0
163.00276	0.5
163.03845	0.4
164.01065	1.1
165.01857	3.7
167.03371	0.5
169.01379	2.2
175.00311	2.0
175.03883	0.6
177.01894	7.3
178.02496	0.5
179.03465	1.7
185.06047	2.1
187.03925	2.2
191.03528	0.5
193.01379	1.8
193.03452	0.7
193.05034	4.2
196.00124	0.6
205.01411	1.3
217.01396	0.7
222.31212	0.5
227.07179	2.2
229.18764	0.5
234.35158	0.5
235.02481	2.3
269.04630	1.7
270.05237	0.6
271.06177	52.4
272.06512	3.8
295.05338	0.5
313.07224	2.1
335.05560	0.5
339.07297	2.1
357.08536	0.5
423.11417	0.8
425.08887	1.2
459.11685	6.1
460.12079	0.5
515.11993	1.4
533.13416	1.4
579.17303	100.0
580.17725	13.5
621.18286	0.6
671.01935	0.5
677.17719	2.5
678.17584	0.9
695.18085	12.0
696.18408	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	695.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.7
59.01264	4.2
61.98715	1.1
63.02282	1.4
65.00207	6.7
71.01271	7.1
71.52139	0.7
72.99200	3.5
73.02827	0.5
75.00775	0.9
79.10478	0.4
81.03342	0.7
81.29990	0.4
83.01269	4.7
83.02391	0.4
83.04905	0.5
85.02838	1.5
87.00764	0.9
88.98669	0.5
89.02343	1.4
93.03355	3.8
99.00795	0.5
101.02334	1.9
107.01297	14.0
108.02115	0.9
109.02855	1.3
111.00763	0.7
111.04414	0.4
113.02379	1.3
115.00301	0.9
117.03402	1.0
119.04942	23.9
120.05283	0.6
121.02856	1.5
123.00822	0.5
124.01585	0.4
125.02368	8.7
133.02870	0.9
134.03674	0.7
135.04471	0.8
136.01572	0.9
137.02348	1.5
143.04994	0.4
145.02905	4.4
149.02347	1.9
149.05930	0.6
151.00310	60.9
152.00681	2.1
153.01810	0.5
160.03992	1.1
161.02368	1.3
161.04482	0.9
161.06017	0.6
163.03949	0.8
164.01086	0.5
165.01891	3.1
166.02643	0.5
167.03410	0.9
169.01349	1.9
175.00438	1.8
175.03940	0.6
177.01904	11.3
179.03513	0.6
179.07080	0.7
181.05075	0.7
185.06038	1.3
187.03979	1.7
193.01378	1.4
195.99960	0.4
205.01433	0.9
205.05074	0.5
205.11816	0.4
217.01408	0.6
223.06096	0.9
227.07224	2.0
235.02556	2.0
244.96271	0.4
269.04608	1.1
270.05231	0.4
271.06180	43.5
272.06503	3.7
283.06046	0.7
285.04196	0.5
293.04538	0.4
295.05988	0.5
303.05112	0.8
305.03833	0.4
313.07196	1.3
317.34821	0.4
325.58252	0.4
335.05548	0.4
339.07233	2.3
367.10300	0.5
417.15619	1.2
447.09552	1.6
459.11569	6.5
465.10483	1.1
579.17291	100.0
580.17694	15.8
677.17474	0.6
694.49304	1.4
695.17474	3.4
696.18011	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	693.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61171	1.0
57.01444	0.8
57.03329	2.1
59.01265	40.9
61.98718	30.9
62.64666	0.8
71.01266	17.7
71.51990	1.2
72.99200	1.0
73.02831	7.8
74.70448	0.8
75.00741	0.9
83.01271	3.5
85.02859	6.2
86.92229	0.8
87.00783	2.1
88.98666	1.1
89.02330	3.7
93.03374	1.0
95.01318	1.6
96.95918	1.4
99.00781	1.6
101.02343	10.0
109.02892	2.7
113.02359	6.4
117.03307	1.2
118.50739	0.8
119.03420	2.5
121.02866	3.2
123.04445	1.0
125.02376	5.0
133.02824	1.6
134.03654	0.8
135.04510	4.3
137.02393	1.0
137.06113	1.1
143.03464	1.0
147.04497	1.2
149.02368	3.4
149.06015	0.9
151.04016	1.0
156.16827	0.8
159.03004	0.9
161.02391	2.1
161.04533	3.1
163.04031	1.2
164.04744	2.8
165.03802	0.9
165.05418	1.2
175.00308	2.7
177.01912	1.2
177.09186	0.9
181.68712	0.8
190.02695	6.6
205.05051	5.0
223.06084	5.7
259.05893	0.9
265.18152	16.1
267.19687	12.1
269.04413	1.1
325.14532	3.4
335.32739	1.0
351.08868	1.3
367.10605	3.8
395.11368	3.2
445.36691	1.3
471.34729	4.0
651.41071	2.2
693.25128	6.5
693.42371	100.0
694.23175	1.9
694.42773	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	693.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24084	0.8
52.12272	1.0
54.88545	0.8
59.01248	3.7
61.98693	1.4
65.03845	4.2
69.95544	4.3
77.63589	0.8
77.85973	0.8
91.05431	12.9
93.03342	2.7
96.95907	1.7
101.84321	0.8
101.90663	0.8
108.02071	2.4
109.02862	56.3
121.02866	16.5
123.04402	1.7
133.02870	1.4
135.04445	96.0
136.04768	3.4
147.04469	8.7
149.02356	1.7
149.06006	2.2
159.04521	0.9
169.54202	0.8
173.06017	1.1
174.06673	1.0
187.07594	1.9
189.09210	5.1
190.09477	1.0
199.07622	2.0
200.08385	2.9
213.09094	1.4
215.10764	12.3
216.11031	1.5
232.18918	0.8
253.08699	1.2
257.08047	0.8
263.10773	1.0
268.63879	0.9
271.09811	11.1
272.10062	1.1
285.07718	1.3
285.61142	1.0
289.08957	0.9
304.11142	1.4
307.09732	2.5
319.13580	1.9
322.12125	1.8
323.12933	1.4
337.14511	61.3
338.14853	6.1
421.20157	5.2
452.85776	1.0
661.28479	2.8
675.29449	6.2
676.29999	2.7
693.30804	100.0
694.31213	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55328	0.9
59.01265	6.9
61.98700	2.0
62.28011	0.7
63.95676	0.8
65.03854	1.9
71.51915	1.0
78.95792	1.6
91.05437	9.1
93.03345	2.4
96.95878	0.9
108.02058	1.2
109.02862	40.9
121.02873	15.9
123.04432	1.6
133.02832	1.4
135.04449	78.3
136.04794	2.0
147.04427	5.7
149.05965	1.5
159.04353	1.1
173.05965	1.4
174.06660	1.2
185.06134	1.1
187.07552	1.2
188.08382	1.2
189.09155	1.8
199.07639	1.5
200.08379	2.2
203.10602	0.9
213.09215	1.7
215.10785	10.1
216.11075	1.0
238.12192	0.7
271.09753	4.7
276.43289	0.7
287.09396	1.2
307.09735	2.2
319.13416	1.9
322.12146	2.5
337.14529	47.2
338.14984	4.1
338.18503	0.9
405.20706	2.9
421.20392	1.6
580.40613	0.8
635.26886	1.6
675.29694	4.0
676.30402	1.4
693.30865	100.0
694.19098	1.0
694.31201	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	693.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25821	1.1
59.01265	13.0
59.49002	1.0
60.51284	0.9
61.98703	3.1
65.03842	5.6
67.01771	2.3
69.71169	2.8
69.71581	3.2
71.01283	1.6
84.95941	1.0
91.05424	12.9
93.03342	3.4
96.95906	1.5
101.02349	0.9
105.63926	1.0
107.04913	1.2
108.02118	1.4
109.02865	53.6
110.03151	1.2
119.00874	1.2
121.02866	16.9
123.04479	1.8
133.02876	3.3
134.03629	1.1
135.04449	100.0
136.04784	3.9
146.42529	1.1
147.04456	6.0
149.06065	1.4
159.04463	1.2
173.06033	2.1
187.07568	1.3
189.09174	4.4
199.07631	2.8
200.08412	2.1
212.08389	1.3
213.09157	1.8
215.10794	12.0
271.09726	4.3
293.24869	1.8
294.25308	1.8
304.11221	1.3
307.09848	2.7
322.12219	2.8
337.14523	70.1
338.14801	7.2
397.13498	2.5
421.19916	2.2
675.30066	7.2
693.30859	96.5
694.31134	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	693.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
55.52999	0.4
57.03334	0.8
58.37695	0.4
59.01266	3.2
61.98717	1.9
64.22510	0.3
69.03326	0.8
69.20442	4.6
71.01276	5.0
72.99197	1.5
73.02828	1.3
81.03329	0.6
83.01303	1.1
85.02830	3.6
87.00784	0.8
88.98715	0.3
89.02345	0.9
93.03381	0.4
95.01281	1.4
96.88620	0.4
96.95911	0.7
97.02853	0.9
99.00790	1.7
101.02345	2.7
107.04926	0.5
108.02076	45.8
109.02887	11.8
111.04427	0.9
113.02349	3.4
117.01917	0.4
119.03411	0.3
119.04940	1.3
121.02824	1.0
122.03674	1.3
123.00805	0.7
123.04434	1.2
125.02364	1.3
125.06038	0.8
134.03682	0.4
135.04451	1.3
136.05196	1.2
137.02406	0.6
138.06812	1.8
139.07564	1.5
143.03426	0.5
145.02905	0.5
147.04462	0.4
148.05229	0.5
149.06073	0.5
151.00313	1.1
151.03961	1.8
151.07539	2.8
152.01091	100.0
152.08351	2.2
153.01831	4.8
159.11681	0.4
161.04514	1.7
163.03946	5.0
163.07558	0.9
165.05484	0.7
177.01913	1.6
179.03481	1.0
193.05063	0.7
201.12868	2.9
203.10751	1.7
204.11539	4.9
205.11859	0.5
207.02902	1.0
219.13913	4.7
220.14273	0.5
263.12936	1.5
269.04514	0.7
271.05887	0.7
271.08469	0.6
297.06235	0.7
315.07401	1.9
429.10489	14.6
430.10693	1.2
430.16229	0.4
447.11542	17.2
448.11819	0.9
537.66052	0.5
637.16492	0.4
648.38177	0.4
692.39984	0.4
693.24109	86.1
694.24377	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	693.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.7
57.45837	0.2
59.01261	4.1
59.24594	0.2
61.98716	6.6
63.43579	0.3
71.01267	3.2
72.99197	0.8
73.02850	1.5
75.00768	0.3
75.02276	0.2
77.72083	0.2
78.91692	0.2
83.01273	0.9
85.02834	1.5
87.00773	0.4
88.98689	0.3
89.02355	1.0
89.03861	0.3
91.05434	0.4
93.03381	0.9
95.01254	0.5
96.95905	0.4
99.00777	1.9
99.04440	0.5
101.02342	2.4
106.48224	0.3
107.04967	0.3
108.02108	0.4
109.02856	0.2
112.03979	0.3
113.02353	1.7
117.03380	0.9
117.05503	0.5
117.97137	0.2
119.01314	0.7
119.03460	0.2
119.04926	1.4
121.02864	9.5
125.02400	1.4
132.02113	0.9
135.04446	1.5
136.05211	1.0
137.02367	0.6
137.06015	3.6
139.03929	0.3
143.03448	0.4
147.00854	0.5
147.04443	3.3
149.02380	55.7
150.02724	1.8
151.00349	0.6
151.03937	0.3
152.01064	0.8
153.05486	0.3
161.02411	0.3
161.04549	0.6
163.03957	7.0
163.07603	0.2
164.04738	49.7
165.01872	0.6
165.05507	5.0
165.09135	0.7
167.03511	0.3
175.00336	4.1
176.00713	0.3
178.06302	6.4
179.05614	0.2
179.07095	4.8
187.02507	0.5
189.01996	0.3
190.02693	9.2
191.03232	0.3
193.01396	0.4
193.08669	6.8
194.09096	0.3
205.05038	11.3
206.05371	0.6
207.10202	0.4
208.03786	1.2
209.08266	0.4
210.43152	0.2
223.06117	100.0
224.06453	5.2
229.49562	0.3
250.11938	0.3
264.13544	0.3
265.14493	13.6
266.14819	0.7
269.04477	0.3
271.06259	0.4
285.20837	0.3
372.11182	0.4
387.13605	0.4
427.19919	3.5
428.20261	0.4
429.84213	0.3
440.19791	0.2
443.15314	0.3
469.17090	0.4
480.30740	0.4
487.18304	1.3
495.33276	6.3
496.33621	0.6
545.13110	0.4
546.21790	0.2
596.16608	0.6
603.20013	0.3
649.40045	0.3
657.38757	4.9
658.38031	0.3
692.38300	0.3
693.23987	3.8
693.36896	2.7
694.24176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08835	0.3
51.83578	0.3
55.01749	0.5
57.03337	2.8
59.01265	5.0
61.98713	3.4
68.06190	0.3
68.99741	0.3
69.03335	0.9
71.01270	6.9
71.54108	0.5
72.99186	1.8
73.02831	1.7
75.00773	0.9
81.03354	1.1
83.01266	1.7
83.04929	0.5
85.02858	4.1
86.03164	0.4
87.00779	1.4
88.98699	0.6
89.02348	2.1
93.03340	1.1
95.01287	1.9
96.95943	1.8
97.02842	0.8
99.00781	1.9
99.04428	1.2
101.02341	4.1
107.01290	1.1
107.04946	0.5
108.02080	47.0
109.02880	10.3
109.69711	0.3
111.04444	0.7
113.02357	3.3
116.92748	0.5
117.03352	0.4
119.03463	0.9
119.04935	1.5
121.02860	1.7
122.03683	0.6
123.00793	1.0
123.04396	1.6
125.02380	2.9
125.06038	0.5
131.03418	0.4
133.02863	0.6
133.26405	0.3
134.03648	0.9
134.06049	0.3
135.04469	1.6
136.01601	0.4
136.05194	0.5
136.07579	0.3
137.02374	1.3
137.05978	0.3
138.06778	0.3
139.07616	0.4
143.03412	0.8
145.02898	0.6
147.04446	0.4
149.02432	0.4
149.05945	0.6
151.00330	2.6
151.03989	2.3
151.07628	0.7
152.01094	89.5
153.01828	5.3
161.02487	0.6
161.04477	2.3
161.05748	0.3
163.03949	5.9
163.07620	0.4
164.04602	0.4
165.01834	0.5
165.05481	1.0
166.02684	0.6
167.03484	1.6
168.03847	0.4
175.02504	0.4
175.03912	0.7
176.76552	0.3
177.01871	1.5
177.05533	0.4
179.03418	1.4
179.07120	0.5
181.05009	0.8
185.09698	0.7
187.04076	0.5
187.07626	0.5
188.08266	0.4
189.09090	0.8
201.12880	2.9
203.10725	1.7
204.06660	0.6
204.11572	6.3
207.02927	0.7
219.13910	5.5
220.14243	0.5
237.10109	0.5
253.06247	0.5
255.11375	0.4
263.12930	3.0
266.06958	0.4
267.07846	0.4
268.08627	0.6
268.12131	0.5
269.04562	1.0
271.05902	0.6
281.09406	1.0
285.03949	0.4
285.08929	0.4
295.10944	1.4
296.11697	1.0
297.06149	0.5
299.05728	0.8
299.10446	0.3
303.13541	0.4
305.08578	0.4
315.07318	1.6
327.13699	0.4
339.08868	0.5
343.08377	0.4
371.07297	0.5
372.08685	1.7
385.09476	0.4
386.10068	0.4
387.10284	2.4
387.14639	1.5
406.15140	0.4
429.10428	12.5
430.10721	1.0
447.11517	14.5
448.12061	1.3
455.19446	0.4
459.67081	0.3
476.14975	0.4
477.15350	0.5
549.16296	1.3
550.16534	0.4
591.17145	1.9
633.25378	0.9
648.37506	0.7
649.20575	0.9
649.37714	0.7
661.24835	0.5
675.27313	3.6
676.27429	0.5
692.39038	1.1
693.24097	100.0
694.24396	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	693.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.0
59.01545	0.6
61.98714	7.2
65.00208	0.5
70.17713	1.4
71.01268	2.9
72.99204	0.7
73.02842	0.9
75.00777	0.4
83.01277	0.9
83.50874	0.3
85.02846	1.0
87.00783	0.7
89.02338	1.4
93.03355	2.9
95.01294	0.4
96.95923	0.6
99.00798	0.3
99.04420	0.5
99.92494	0.3
101.02343	1.5
106.17847	0.3
107.01305	0.8
108.02120	0.6
109.02859	0.7
113.02340	1.1
116.92690	0.3
117.03373	19.1
118.03738	0.4
119.03400	0.3
119.04936	1.1
119.88277	0.3
121.02892	0.6
123.04407	0.3
125.02371	1.9
134.03635	1.4
135.04442	1.6
136.05209	0.3
137.02405	0.7
139.03848	0.3
143.03410	0.3
145.02892	0.9
147.04433	2.6
149.02373	0.9
149.06001	0.4
151.00311	3.0
151.03960	0.5
152.00925	1.0
153.01910	0.5
159.04454	1.0
160.01706	0.4
161.02380	2.8
161.04466	0.7
163.03949	1.4
164.04752	0.3
165.01784	0.6
165.05562	0.3
167.03506	0.5
173.02399	6.9
174.02925	0.4
175.00327	0.7
175.03967	1.2
177.01886	0.7
177.05429	0.6
179.07169	0.4
185.02383	3.3
185.03757	0.4
186.03116	0.5
187.02432	0.6
187.03938	3.9
188.01059	0.6
189.01904	3.2
190.02660	0.5
191.03464	0.5
193.05025	1.1
197.02457	2.6
199.04031	0.5
201.01921	0.6
203.03505	2.0
209.11798	1.2
210.12181	0.5
215.03497	4.0
216.03963	0.4
217.01387	4.2
217.04926	0.5
227.03482	1.1
233.06268	0.4
235.07819	0.6
241.01431	1.8
243.03053	0.5
245.04532	0.8
249.05551	0.4
254.60857	0.3
257.04599	0.6
261.05582	0.7
263.07202	1.1
264.04443	0.3
265.05099	0.3
271.02597	0.9
271.06195	0.7
277.05151	0.4
279.06717	0.8
283.06085	0.3
284.03033	0.4
285.03998	1.2
286.04504	0.6
287.05362	0.6
288.05911	0.4
289.05234	0.3
290.05463	0.4
293.04694	1.5
295.06122	0.6
305.04590	7.8
306.05331	5.6
307.06192	10.4
308.06595	0.9
311.05539	0.3
321.04117	0.5
323.05695	1.1
334.04736	0.4
335.05676	41.3
336.06018	3.7
337.07141	0.8
338.04373	0.9
339.04990	0.5
347.05728	0.7
365.06686	9.5
366.07028	0.8
377.06595	0.6
379.11612	0.5
409.12830	0.4
425.08856	97.8
426.09152	8.0
439.13626	0.5
455.09729	1.0
545.13110	100.0
546.13489	11.5
573.18414	0.4
594.15912	0.8
595.16364	2.3
596.16852	1.6
601.19446	0.5
602.19861	1.2
603.19855	3.2
633.21271	0.4
649.37366	0.4
657.36975	0.3
675.21466	0.5
692.22864	0.7
693.22461	3.3
693.39343	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	693.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75031	0.4
57.03305	0.9
59.01215	4.8
61.98714	3.9
68.63065	0.4
69.03316	0.4
69.46037	3.8
71.01274	3.9
72.88724	0.4
73.02800	1.0
75.00696	1.6
83.01254	1.1
85.02802	1.3
87.00719	0.9
89.02264	1.3
90.65432	0.5
93.03348	2.1
96.95882	0.6
99.00755	0.9
99.04356	0.5
101.02361	2.3
113.02293	0.8
117.03379	12.9
118.03604	0.5
119.04869	2.0
124.03967	3.6
125.02304	1.7
133.02827	0.9
134.03609	0.8
135.04390	0.7
137.02348	0.7
138.64612	0.4
145.02910	0.8
147.04381	1.9
149.02313	1.0
151.00218	1.2
152.01053	0.7
156.55853	0.5
161.02315	1.6
161.04507	1.0
163.03893	1.2
173.01160	0.5
173.02402	5.9
175.03899	0.7
177.05533	0.7
185.02301	1.8
186.02751	0.5
187.03973	2.1
188.07083	0.7
189.01843	2.3
191.03326	0.7
191.05472	0.8
193.04930	1.2
197.02417	2.1
201.01913	0.5
203.03494	0.7
215.03539	4.5
217.01503	2.4
217.05069	0.7
220.19415	0.4
223.05927	0.8
229.08409	0.7
241.01344	1.3
251.06908	0.5
257.08124	0.6
262.06149	0.5
263.07138	0.7
271.05969	0.8
283.06131	1.1
293.04468	1.1
294.05035	0.6
295.05884	1.0
305.04578	4.3
306.05389	3.9
307.06165	7.1
308.06406	0.8
309.07562	0.7
310.04474	0.6
311.05444	1.2
322.04840	0.6
323.05396	1.7
323.09113	0.7
324.05762	1.2
324.09415	0.7
325.09866	0.6
335.05682	23.1
336.06192	3.4
336.09805	0.8
337.06961	1.7
337.10724	1.9
338.04187	0.8
338.07681	0.6
338.11124	1.9
339.07877	0.6
339.11414	1.0
351.12100	0.6
352.12592	1.0
353.13440	0.6
365.06461	2.4
365.10330	1.3
366.10727	2.0
367.10980	1.8
377.06268	0.9
377.10318	1.4
378.10757	2.4
379.11740	3.4
380.12390	4.2
381.12738	2.6
391.11893	0.6
392.12177	1.2
393.12961	0.6
394.10049	1.0
395.07059	1.5
395.11917	3.7
396.11951	5.0
397.12048	4.8
405.09732	0.5
406.10254	0.8
407.11057	1.7
408.11722	2.5
409.12701	4.2
410.13379	3.1
411.13901	2.3
420.11700	1.4
421.12457	1.9
422.13446	2.2
423.11014	3.0
423.14832	0.5
424.11356	5.5
425.12222	5.1
426.12366	0.7
437.12488	2.8
438.13055	7.6
439.13351	10.7
440.13861	8.0
441.14355	1.1
450.13330	0.8
452.14297	0.7
455.09952	35.4
455.39893	0.5
456.10281	5.0
542.18024	0.7
545.13141	100.0
546.13483	12.9
571.18164	1.0
572.18738	3.3
573.18872	7.0
585.19141	1.6
601.19366	7.4
602.19727	29.1
603.19983	67.0
604.20197	4.8
614.19818	0.6
615.20068	1.7
617.21582	1.8
631.21094	0.5
632.21112	1.3
633.21222	3.8
656.20691	0.9
657.21460	2.1
658.20935	0.6
662.82019	1.0
674.21753	1.3
675.22168	4.7
692.23077	4.8
693.23297	31.0
694.23450	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	693.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.0
59.01264	8.6
61.98721	6.9
67.01767	0.5
70.73971	1.1
70.74333	0.6
71.01273	6.0
72.99195	0.8
73.02840	1.9
75.00790	1.0
76.05464	0.3
83.01281	1.3
85.02847	2.5
87.00770	1.3
88.98708	0.9
89.02337	2.9
93.03368	3.0
96.95912	1.4
97.02868	0.4
99.00778	1.0
99.04406	0.7
101.02348	2.8
107.01299	0.7
107.04961	0.5
108.02078	1.2
109.02856	0.7
111.89561	0.4
113.02353	1.8
117.03376	22.0
118.03701	0.9
119.03407	0.8
119.04934	3.3
121.02882	1.2
122.03682	0.5
123.04444	0.7
125.02370	2.5
128.03453	0.6
129.01894	0.6
133.02876	0.5
134.03648	0.8
135.04477	1.2
137.02353	0.8
137.06003	0.7
145.02887	1.2
146.62639	0.5
147.04453	1.5
149.02379	4.5
149.06012	0.7
150.03192	0.5
151.00313	1.6
151.03989	0.7
151.07539	0.5
152.00998	1.4
159.04424	0.6
161.02397	3.1
161.04518	0.8
163.03944	2.0
164.04745	3.0
165.05479	0.6
167.03394	0.7
173.02390	6.9
175.00320	1.4
175.03944	1.2
176.00838	0.5
177.01794	0.4
177.05551	1.4
178.06281	1.0
179.05583	0.8
179.07031	0.9
185.02396	4.0
187.00362	0.5
187.03970	3.5
188.01158	0.5
189.01920	5.7
190.02573	2.0
191.03342	0.5
193.05110	0.7
193.08775	0.8
195.06490	0.7
197.02405	1.7
201.01912	1.0
203.03415	1.0
205.05061	3.1
215.03511	4.2
216.03871	0.5
217.01428	4.8
223.04059	0.7
223.06107	6.9
224.06454	0.6
235.07719	0.9
241.01483	1.8
243.02986	0.5
245.04422	0.5
251.07140	0.5
261.05789	0.6
263.07217	1.5
265.05103	0.5
265.24350	0.4
267.03015	0.5
269.04587	0.6
271.06238	1.0
279.06580	0.6
283.06213	1.3
284.03433	0.7
289.05078	0.8
291.06766	0.5
293.04568	2.4
295.06198	0.9
305.04642	8.1
305.08334	0.6
306.05362	7.2
307.06189	13.5
308.06738	0.8
309.07806	0.5
311.05621	0.7
317.04535	1.2
319.06015	0.6
323.05661	1.2
334.04901	0.7
335.05679	28.7
336.05978	2.9
337.07193	0.8
338.04547	1.4
347.05588	0.7
359.05551	0.6
365.06750	8.4
366.07098	0.7
376.49612	0.4
377.06494	0.7
395.07687	1.0
407.07748	0.9
425.08878	97.5
426.09210	11.9
439.14346	0.4
455.09955	17.5
456.10187	2.0
494.32193	0.7
495.33142	2.9
531.18610	0.4
545.13129	100.0
546.13464	14.3
553.50378	0.4
577.28766	0.8
579.16937	0.8
602.20294	0.5
603.19617	0.8
611.79266	1.2
633.36182	0.6
657.38605	0.6
692.37939	0.9
693.21924	2.7
693.36835	1.5
694.22437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03342	0.8
59.00997	0.5
59.01264	7.6
61.98719	7.6
70.26957	0.7
70.27359	0.8
70.33610	0.3
71.01278	3.7
72.99194	1.0
73.02834	1.2
75.00767	0.7
82.14600	0.4
83.01260	1.2
83.04932	0.5
85.02831	1.8
87.00775	1.5
88.98696	0.4
89.02322	1.5
91.39790	0.4
93.03358	2.6
96.95935	1.2
99.00780	1.2
101.02367	2.2
107.04893	0.4
108.02125	0.8
113.02351	1.5
115.00299	0.5
117.03378	19.0
117.05486	0.5
118.03712	0.6
119.04942	2.3
121.02865	0.8
122.02344	0.6
125.02367	2.3
131.04939	0.7
131.07063	0.8
133.02847	0.4
134.03668	0.9
135.00862	0.3
135.04433	1.7
137.02362	1.0
137.06009	0.4
143.03387	0.6
145.02873	1.3
147.04439	1.4
149.02364	1.6
149.06003	1.0
151.00320	1.9
151.03955	0.6
151.07642	0.6
152.01044	1.1
153.01889	0.4
155.42938	0.4
159.04396	0.5
160.01625	0.6
161.02444	2.1
161.04512	1.0
161.05948	0.4
161.08138	1.1
162.06795	0.4
163.03951	1.5
164.04781	0.6
165.01987	0.4
165.05492	0.9
165.09145	0.4
173.02402	6.3
175.00346	0.5
175.03955	0.5
177.01884	0.5
177.05547	1.0
179.03397	0.5
179.05550	0.6
179.07031	0.6
185.02446	3.7
187.03983	3.2
189.01929	3.9
190.02579	0.5
193.05049	1.1
197.02449	2.2
201.01839	0.6
203.03526	1.1
205.05101	0.6
215.03510	3.6
217.01418	3.5
223.06139	1.0
227.03525	0.7
235.07654	0.7
241.01472	2.2
243.03061	0.7
245.04488	0.5
251.07208	0.6
252.04340	0.4
261.05646	0.8
263.07220	1.7
267.06723	0.6
269.04553	0.6
271.02527	1.0
271.06223	1.0
277.05096	0.5
278.05884	0.5
279.06741	0.5
284.03403	0.5
293.04776	1.8
293.08667	0.3
301.10959	0.4
305.04626	8.1
306.05365	7.1
307.02887	0.7
307.06192	10.0
308.06561	1.2
317.04608	0.6
319.06241	0.4
321.04233	0.5
323.05658	0.4
324.06281	0.4
327.12677	0.5
335.05707	24.1
336.05963	2.6
338.04282	1.2
347.05707	0.5
365.06735	9.8
366.07114	0.7
377.06708	0.5
407.07617	0.6
425.08890	100.0
426.09271	10.3
429.10046	0.4
455.09964	0.6
495.33276	1.7
545.13147	92.3
546.05151	0.7
546.13556	13.5
579.17328	1.3
669.81750	0.4
693.21753	1.7
693.38080	1.9
694.20007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03342	0.8
59.00997	0.5
59.01264	7.6
61.98719	7.6
70.26957	0.7
70.27359	0.8
70.33610	0.3
71.01278	3.7
72.99194	1.0
73.02834	1.2
75.00767	0.7
82.14600	0.4
83.01260	1.2
83.04932	0.5
85.02831	1.8
87.00775	1.5
88.98696	0.4
89.02322	1.5
91.39790	0.4
93.03358	2.6
96.95935	1.2
99.00780	1.2
101.02367	2.2
107.04893	0.4
108.02125	0.8
113.02351	1.5
115.00299	0.5
117.03378	19.0
117.05486	0.5
118.03712	0.6
119.04942	2.3
121.02865	0.8
122.02344	0.6
125.02367	2.3
131.04939	0.7
131.07063	0.8
133.02847	0.4
134.03668	0.9
135.00862	0.3
135.04433	1.7
137.02362	1.0
137.06009	0.4
143.03387	0.6
145.02873	1.3
147.04439	1.4
149.02364	1.6
149.06003	1.0
151.00320	1.9
151.03955	0.6
151.07642	0.6
152.01044	1.1
153.01889	0.4
155.42938	0.4
159.04396	0.5
160.01625	0.6
161.02444	2.1
161.04512	1.0
161.05948	0.4
161.08138	1.1
162.06795	0.4
163.03951	1.5
164.04781	0.6
165.01987	0.4
165.05492	0.9
165.09145	0.4
173.02402	6.3
175.00346	0.5
175.03955	0.5
177.01884	0.5
177.05547	1.0
179.03397	0.5
179.05550	0.6
179.07031	0.6
185.02446	3.7
187.03983	3.2
189.01929	3.9
190.02579	0.5
193.05049	1.1
197.02449	2.2
201.01839	0.6
203.03526	1.1
205.05101	0.6
215.03510	3.6
217.01418	3.5
223.06139	1.0
227.03525	0.7
235.07654	0.7
241.01472	2.2
243.03061	0.7
245.04488	0.5
251.07208	0.6
252.04340	0.4
261.05646	0.8
263.07220	1.7
267.06723	0.6
269.04553	0.6
271.02527	1.0
271.06223	1.0
277.05096	0.5
278.05884	0.5
279.06741	0.5
284.03403	0.5
293.04776	1.8
293.08667	0.3
301.10959	0.4
305.04626	8.1
306.05365	7.1
307.02887	0.7
307.06192	10.0
308.06561	1.2
317.04608	0.6
319.06241	0.4
321.04233	0.5
323.05658	0.4
324.06281	0.4
327.12677	0.5
335.05707	24.1
336.05963	2.6
338.04282	1.2
347.05707	0.5
365.06735	9.8
366.07114	0.7
377.06708	0.5
407.07617	0.6
425.08890	100.0
426.09271	10.3
429.10046	0.4
455.09964	0.6
495.33276	1.7
545.13147	92.3
546.05151	0.7
546.13556	13.5
579.17328	1.3
669.81750	0.4
693.21753	1.7
693.38080	1.9
694.20007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19453	0.1
55.82855	0.1
57.03322	0.4
59.01262	1.5
61.98710	0.3
71.01260	1.2
72.99198	0.4
73.02827	0.3
75.00755	0.2
78.95795	0.3
79.13148	0.1
79.95624	2.6
79.96089	0.2
83.01272	0.4
85.02835	0.3
87.00777	0.2
89.02324	0.4
96.95911	100.0
97.95849	0.3
98.95501	2.2
98.96285	0.3
99.00773	0.2
99.01911	0.4
101.02344	0.7
107.01330	0.3
108.02077	0.6
109.02866	0.2
111.00708	0.2
113.02363	0.5
113.26350	0.1
115.00300	0.1
117.03377	0.3
119.03434	0.2
119.04970	0.3
123.04480	0.2
125.02373	0.5
134.03685	0.2
135.04437	0.6
137.02342	0.3
143.04893	0.1
149.06094	0.2
151.00293	1.7
152.01111	1.1
153.01788	0.1
159.02957	0.2
161.04512	0.4
237.06320	0.2
237.09850	0.3
241.05048	0.2
271.06284	0.4
271.89096	0.2
284.03360	0.2
285.04236	0.2
301.10986	0.2
305.08887	0.7
306.52945	0.1
315.07123	0.2
335.05637	0.5
341.06815	0.3
353.77536	0.1
387.20398	0.3
455.09976	0.5
455.19516	0.5
459.11380	0.2
531.15814	0.3
575.14441	0.6
593.15289	0.3
595.16919	1.1
603.17407	0.3
649.18048	0.7
693.07977	0.3
693.20435	1.3
694.20660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80732	0.4
55.01760	1.9
57.03334	2.9
58.00472	2.2
59.01266	49.4
60.99210	0.4
61.98715	5.4
67.01785	0.8
68.99715	0.8
69.03353	2.8
71.01270	44.6
71.04909	3.1
71.56084	0.7
72.01588	0.6
72.99198	3.9
73.02840	7.7
75.00759	1.1
78.95794	2.2
81.03345	2.1
83.01276	5.1
83.04921	1.0
85.02837	9.5
85.06435	0.5
86.00026	0.5
87.00777	11.0
88.98694	0.7
89.02339	33.8
91.03926	1.0
93.03383	0.8
95.01282	3.7
96.95913	1.0
96.96863	0.5
97.02853	7.5
97.06488	0.7
99.00767	2.7
101.02346	36.3
102.02721	0.6
103.00269	0.4
109.02843	1.4
109.06489	2.2
111.00787	0.9
111.04415	1.4
113.02355	19.3
115.03909	1.0
119.03417	9.4
119.04837	0.5
121.02843	0.9
123.04444	0.7
125.02370	15.0
131.03391	2.3
133.05013	0.9
135.08112	0.5
139.03922	0.9
141.01883	0.6
143.03438	6.7
149.04518	1.0
149.06017	0.5
151.00294	1.2
151.03905	0.5
152.00793	0.4
152.99474	0.9
155.10782	0.5
161.02422	0.9
161.04495	6.9
163.11226	1.2
167.03464	1.2
169.05025	0.6
170.29471	0.5
171.02992	0.5
171.10304	0.8
179.05574	7.3
181.12234	0.6
183.13905	0.5
185.04588	0.7
185.11812	0.5
191.18076	0.5
199.09714	0.7
203.03490	0.4
207.10249	3.5
209.11920	0.9
209.15450	1.5
211.13420	2.1
217.07104	1.2
217.16023	0.7
219.17557	0.5
221.06631	2.7
221.15509	0.8
223.16968	2.8
224.17578	0.4
225.11307	1.6
227.12837	0.5
231.21178	1.0
233.15681	0.6
235.08246	14.0
235.17043	22.3
236.08713	0.7
236.17403	1.7
245.06702	0.6
253.09309	4.4
257.19370	0.5
263.07761	1.4
271.06369	0.5
275.20221	26.1
276.20535	2.1
277.09335	1.0
285.04034	1.0
287.07755	3.1
291.19751	0.6
293.21295	100.0
294.21628	8.7
297.07803	0.7
305.08792	4.4
317.08145	0.6
323.09879	1.7
335.09189	2.7
353.10165	0.7
361.11365	0.5
379.12488	1.2
384.85553	0.5
395.11392	1.4
397.13580	99.8
398.13950	8.5
415.14667	46.0
416.15137	2.5
461.20361	0.6
594.15692	0.6
673.33942	0.5
691.35229	1.0
692.35138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77259	0.4
54.26456	0.4
57.03335	0.5
59.01270	2.5
61.98717	1.3
65.00214	1.2
65.48834	0.4
70.53398	0.4
71.01282	3.3
72.52329	0.4
75.00763	1.2
83.01272	1.2
83.04900	0.5
84.04839	0.4
85.02847	0.5
87.00748	0.7
89.02340	1.0
98.19699	0.5
101.02353	1.2
107.01295	2.0
108.02066	0.7
109.02846	0.7
113.02380	0.6
119.01228	0.5
119.04900	0.6
123.04453	0.5
125.02344	1.1
133.02896	0.8
134.03680	1.6
135.04416	1.6
136.01599	0.5
145.02869	0.7
148.01677	0.6
151.00307	7.5
160.96524	0.5
161.02487	0.7
164.01103	1.1
165.01862	0.6
174.03169	0.5
175.00235	0.5
175.03902	0.5
177.01915	0.9
196.00121	0.8
199.04031	1.0
201.01898	1.1
201.11345	1.5
203.10719	0.8
209.11810	6.2
213.01973	0.8
223.04008	0.9
227.12921	0.7
229.13680	0.5
231.10350	0.6
241.05026	1.1
253.09341	0.7
256.07352	0.6
257.04633	0.7
258.04916	0.5
267.02942	0.6
281.04520	0.6
282.05304	0.5
284.03348	1.0
285.04147	3.7
286.04749	1.1
287.05746	0.9
293.04572	1.0
295.06161	0.8
296.07095	0.4
297.07608	0.7
307.06213	1.9
309.04205	1.0
321.04108	0.7
322.04907	1.5
323.05667	2.3
323.09357	1.2
325.07263	0.7
335.05655	2.4
335.09341	1.5
336.06512	0.6
336.10303	1.5
337.07175	1.7
337.10858	6.0
338.11176	0.7
347.09351	0.6
349.10870	1.5
350.11374	0.6
351.08640	0.8
351.12411	2.3
356.05176	0.7
363.08768	1.2
363.12820	0.7
364.09726	0.6
365.10364	6.9
366.10965	2.2
377.10464	6.6
378.10968	2.1
379.11963	6.5
380.12634	2.8
383.11676	0.5
391.12006	3.3
393.09741	4.1
394.10287	0.8
395.11508	15.7
396.11807	2.1
405.09848	1.7
406.10580	1.8
407.11334	5.4
408.12192	5.8
409.12939	7.9
419.11530	3.1
420.12180	1.5
421.12973	4.9
422.13702	0.6
423.10947	18.9
423.16672	1.0
424.11374	4.3
425.12393	1.0
435.10931	1.1
437.12521	15.2
438.13226	20.7
439.13953	4.9
449.12396	1.3
450.13135	1.0
459.11365	0.7
473.12677	0.5
477.11703	0.5
526.21527	0.5
529.17529	0.9
541.17053	0.7
542.17834	0.7
543.19257	0.8
571.18311	12.7
572.18829	1.9
583.18457	3.1
584.18829	0.5
585.19849	0.8
593.15082	1.7
594.16089	8.8
595.16467	1.5
601.19385	100.0
602.19763	19.4
613.19281	3.4
614.19653	0.5
615.20929	2.7
616.20862	0.7
631.20490	6.3
632.20789	1.2
637.18671	0.6
650.39264	0.5
655.20264	3.9
656.20917	0.6
673.21454	6.5
674.22577	1.2
691.22577	46.1
692.22986	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	691.2262
Annotation	Cuhuoside
Peak:m/z	Relative Intensity
57.03344	5.3
59.00996	1.1
59.01262	18.5
60.76500	0.7
61.98424	0.9
61.98718	11.8
63.02263	1.2
64.99892	1.3
65.00208	16.2
68.99722	1.1
69.03351	1.2
70.51372	3.4
71.01268	14.3
72.99197	2.1
73.02826	5.2
73.33649	1.0
74.68294	0.8
75.00740	2.6
75.86262	0.8
81.03345	5.9
83.01269	16.5
83.04871	1.0
85.02851	6.0
87.00750	3.3
88.98676	1.1
89.02341	7.4
93.03351	2.9
95.01284	1.5
95.04915	2.1
96.95904	5.5
97.02834	2.1
97.06474	1.0
99.00764	2.2
99.04394	1.7
99.92474	1.2
100.39008	0.8
101.02337	11.4
107.01295	21.9
108.02110	1.6
109.02841	2.4
111.04413	1.4
113.02367	5.6
116.92779	10.9
119.03400	1.1
119.04936	11.2
121.02847	2.4
123.00793	1.0
123.04438	43.8
123.08024	1.0
124.01529	1.8
124.04761	2.1
125.02370	39.0
125.05929	1.1
126.02652	1.1
133.02884	1.1
133.06467	2.4
134.03668	0.9
135.04384	1.8
136.05190	2.1
136.98694	2.6
137.02373	4.2
137.06021	1.7
139.00179	0.9
139.03983	1.6
141.05476	1.3
143.03391	1.4
145.02924	1.2
146.03514	1.1
147.04417	0.9
149.02327	2.7
150.03156	1.6
151.00310	83.3
151.03903	3.1
151.07613	11.5
152.00710	3.9
153.01848	2.6
153.05521	1.1
155.03503	1.1
159.03081	0.9
159.04440	3.8
161.02351	1.5
161.04420	2.4
163.03914	2.2
164.04700	1.2
164.98233	6.6
165.01892	2.2
165.05444	2.3
165.94685	0.9
166.02621	1.7
166.04929	1.2
167.03448	100.0
168.03783	4.2
169.01343	3.3
169.08696	1.3
172.05246	5.8
173.05907	3.2
174.03200	0.9
175.00305	1.7
175.03918	2.1
176.04674	1.1
177.01845	3.9
179.03424	2.8
179.05585	1.2
179.07057	1.1
181.05026	1.9
183.04472	1.6
184.05180	1.4
185.05943	1.1
186.03102	1.4
187.03960	3.2
187.07623	39.2
188.07925	3.1
191.03398	3.6
193.01331	1.8
195.06665	1.2
197.06067	1.1
199.03752	1.4
200.04744	4.8
201.05556	4.3
202.04834	1.0
202.06355	12.5
203.10825	1.2
205.01404	1.5
205.04942	1.6
209.04478	4.7
209.08087	1.7
211.07642	1.9
212.08333	1.4
213.09186	12.8
214.09496	0.9
215.07133	58.6
216.07512	5.0
221.04482	1.0
223.05907	0.9
227.03535	1.0
231.10284	9.1
232.03738	2.1
235.02415	2.2
235.11687	1.2
239.07112	1.0
240.07402	0.8
246.91966	0.8
251.05522	0.9
255.06651	1.3
257.08136	2.2
269.04388	1.8
269.06958	1.5
281.04352	1.2
283.05899	1.2
285.04044	9.4
299.05643	1.3
303.10779	1.6
307.06161	2.0
309.04126	11.2
310.04608	1.6
335.05569	3.4
335.09201	1.3
336.09982	1.5
337.07138	3.1
337.10898	2.9
339.08798	24.4
340.09280	2.1
351.08667	1.4
355.10425	2.2
364.09448	1.8
365.10333	10.8
366.10947	1.3
367.08405	1.3
377.10132	2.3
379.11789	3.5
383.11429	1.2
391.12399	0.9
393.09750	1.6
395.11551	5.1
407.11301	2.1
408.12140	2.0
409.12659	1.5
413.12372	1.1
417.15601	1.0
419.11520	1.6
421.12854	2.5
423.11099	4.8
433.13766	1.9
437.12341	4.8
438.13043	3.6
439.13864	2.1
455.19260	1.3
459.11584	19.9
460.11588	1.8
475.14658	40.7
476.14993	4.9
493.31595	4.5
511.32959	1.2
529.17059	1.8
535.34735	1.8
571.18219	7.5
583.18726	2.1
593.14941	1.4
594.15948	6.8
595.16205	1.0
596.62433	1.0
601.19293	30.2
602.19519	4.4
613.18719	1.5
615.21112	1.4
629.39063	5.9
631.20349	5.6
632.19830	1.3
639.77631	1.2
646.38708	1.4
647.19995	36.9
647.39764	10.9
648.20337	7.2
655.20105	3.9
673.21442	47.1
674.22095	8.8
690.37769	1.9
691.22418	57.8
691.40155	11.3
691.81659	1.3
692.22626	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	691.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	4.7
59.01267	5.9
61.98724	1.0
63.02282	1.9
65.00211	17.1
69.51644	4.6
71.01275	4.9
73.02832	2.0
75.00774	0.6
81.03350	7.0
83.01274	11.1
83.01723	1.0
85.02849	2.0
87.00758	1.4
89.02350	1.7
93.03342	1.1
95.01315	1.4
95.04895	1.0
96.95908	2.4
97.02881	0.6
99.04392	0.9
100.38992	0.6
101.02367	2.5
107.01300	21.7
109.02904	1.7
113.02365	1.3
119.04964	0.9
119.36069	0.7
121.02846	1.4
123.04442	46.4
124.01593	2.0
124.04794	2.0
125.02367	33.5
128.03479	2.4
134.36079	0.7
135.00813	0.8
135.04486	1.0
137.02361	1.4
138.03203	1.0
147.04488	0.9
149.02419	2.1
151.00310	79.4
151.07576	1.0
152.00667	3.0
153.01868	2.4
158.03709	1.0
159.04465	2.8
164.04839	0.7
165.01843	1.3
166.02649	2.3
167.03453	100.0
168.03798	5.0
169.01396	1.6
172.05266	6.9
173.06102	3.4
175.00357	1.8
175.03949	1.3
175.07631	1.0
176.04742	0.9
177.01944	2.4
179.03421	1.8
181.05003	0.9
183.04460	2.1
186.03198	1.4
186.06862	0.9
187.03990	2.2
187.07620	42.1
188.07936	3.3
191.03470	3.7
193.01364	2.0
200.04826	5.1
201.05566	5.5
202.06337	12.5
203.06918	1.1
203.10770	1.6
204.04262	0.9
205.01271	1.0
205.08629	0.7
209.04533	5.9
211.07744	1.1
212.08479	0.9
213.09218	12.4
215.07135	52.6
216.07507	5.0
227.03574	0.9
229.08791	1.5
231.10287	8.9
232.03795	1.5
235.02470	2.2
239.07103	1.5
255.06561	0.9
257.08246	2.2
267.07248	1.5
269.06845	1.5
271.06287	1.1
281.04651	1.2
293.27359	0.6
295.09662	1.0
302.38864	0.7
302.47873	0.7
307.06268	0.8
308.03534	0.8
309.04114	11.4
309.07315	1.0
310.04855	3.1
319.10190	0.7
335.05707	1.8
336.06238	1.0
336.10178	1.6
337.07190	3.2
337.11044	1.6
338.08026	1.2
339.08807	26.0
340.09015	2.5
347.09366	1.3
355.10532	2.5
364.09692	2.4
365.10406	7.0
366.10992	1.0
383.11484	1.0
426.89783	0.7
433.13516	1.9
459.11487	19.0
460.11826	1.9
475.14673	40.2
476.15070	3.1
529.17053	0.7
601.19031	2.0
617.14417	0.9
624.30487	0.8
647.19916	36.4
647.37677	1.9
648.20313	5.9
655.20203	1.8
673.21503	39.7
674.21637	8.0
691.22467	41.5
691.37939	1.6
692.22968	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	691.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.5
61.98703	1.7
64.45473	0.3
65.00213	1.8
65.03828	0.6
69.69894	0.9
69.70303	1.5
71.01270	1.3
78.95785	1.8
79.05417	0.9
79.14632	0.3
85.02836	0.4
93.19732	0.4
96.95906	5.4
96.96858	0.5
101.02341	0.5
105.07009	2.5
106.59247	0.5
107.04935	4.4
108.02093	0.7
109.02837	2.4
116.45599	0.4
121.02859	1.6
123.04451	0.7
125.02341	0.8
129.07036	0.8
131.04945	3.6
133.02875	3.9
135.04431	1.7
137.02415	0.4
147.00748	0.5
147.83562	0.4
148.01578	0.6
149.02394	2.8
149.06009	6.1
151.00241	1.2
151.03899	0.4
152.99509	0.6
157.02896	0.7
159.04501	0.5
161.02364	2.1
167.18312	0.4
173.02361	0.9
173.06052	4.0
174.03069	0.4
175.00363	0.4
175.03969	4.2
175.07549	0.4
175.85182	0.4
177.01871	0.8
187.03987	1.0
189.05530	1.7
191.07111	0.8
199.03984	3.7
201.01939	5.0
207.10341	0.6
209.04520	0.7
211.13370	0.6
211.42580	0.4
215.03378	0.4
217.05057	8.8
223.07835	0.4
225.11417	0.5
228.54501	0.4
237.09239	0.7
241.05156	0.5
243.02975	1.2
263.10873	0.7
265.08719	1.0
269.04636	0.8
270.05371	1.7
281.08093	0.7
283.09912	1.2
284.06940	0.7
285.04056	2.8
289.08798	0.5
291.06534	0.6
293.21249	0.6
297.03952	0.7
307.09753	1.6
311.05618	1.3
323.09283	1.0
323.12863	0.6
333.07651	1.4
335.09363	0.6
339.12427	4.2
350.08334	0.4
351.08795	100.0
352.09125	10.3
469.33319	0.5
487.34088	0.7
581.18170	0.7
593.12775	0.8
594.15369	0.8
604.13708	0.7
622.15045	1.8
645.21179	0.6
647.22406	0.7
658.35632	0.5
691.21790	11.7
692.22357	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	689.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.9
57.03333	2.7
58.00481	0.6
59.01263	19.4
61.98718	9.7
67.42262	0.4
69.03320	1.2
70.11974	2.1
71.01267	22.1
71.04892	0.8
72.01612	0.7
72.99198	2.2
73.02837	7.3
75.00751	1.0
79.91405	0.5
83.01281	4.7
83.04918	15.3
83.28262	0.4
85.02845	11.3
86.05939	0.4
87.00778	7.7
88.98705	0.5
89.02329	6.0
93.03366	0.9
94.99352	0.5
95.01286	2.0
96.95914	12.7
97.02856	0.9
97.06484	1.7
99.00784	3.4
99.04427	2.6
101.02342	17.5
101.03013	0.9
102.02682	0.5
105.60838	0.4
107.04944	0.5
108.02098	0.5
109.02853	1.4
111.00763	1.4
111.04433	15.8
112.45754	0.4
113.02357	9.0
114.02684	0.7
117.03373	0.8
117.05490	1.0
119.02537	0.4
119.03405	1.7
119.04946	1.6
121.02898	0.6
123.04398	0.7
123.08054	0.7
124.70201	0.5
125.02357	3.1
125.05991	2.4
127.03937	8.4
129.01796	0.5
131.03421	0.5
134.03613	1.4
135.04434	1.2
136.05257	0.6
137.02345	0.8
137.05992	1.1
141.01814	0.6
143.03456	0.7
145.02893	1.0
149.06046	0.7
151.00323	1.0
151.03899	0.6
152.01065	0.7
152.04694	0.9
153.01819	0.5
159.02863	0.8
161.02258	0.6
161.04501	2.4
161.05783	0.5
163.03964	3.6
165.05528	1.1
167.07173	0.6
178.06267	2.2
181.16020	0.7
193.04990	1.2
193.08647	3.4
209.08115	0.5
213.05527	0.9
269.04736	0.6
271.05884	0.6
305.11926	1.6
325.07266	0.9
329.17584	0.7
353.06589	0.6
355.28635	0.9
365.10419	0.6
368.09262	1.0
371.28027	1.5
383.11664	2.1
395.11426	1.1
411.10864	0.7
425.08652	0.8
439.34387	3.2
439.39325	0.6
465.32208	1.3
527.23883	0.5
533.33728	0.8
561.32690	2.8
597.04071	0.5
601.39777	5.3
602.39661	1.2
627.37640	3.4
645.38727	4.2
646.37762	0.5
689.37628	100.0
690.25323	1.3
690.37946	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	689.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.6
57.03326	7.1
59.01000	2.2
59.01268	34.3
61.98719	38.8
69.03339	2.9
71.01271	77.1
71.04894	2.2
71.52364	2.6
72.01591	4.7
72.99184	5.7
73.01672	2.5
73.02830	8.4
75.00757	2.1
78.95789	3.4
79.75488	1.5
80.02563	1.4
81.03342	4.4
83.01275	6.2
83.04905	6.7
85.02851	11.5
86.04589	1.4
87.00758	7.9
88.98687	4.7
89.02343	8.8
93.03357	1.6
95.01268	3.5
95.04910	1.9
96.95912	3.7
97.02850	6.2
97.06499	2.5
99.00779	16.6
99.04437	2.6
101.02361	16.0
107.01260	3.0
109.02872	4.7
109.06496	7.4
111.00813	2.0
111.08041	1.9
113.02353	10.0
113.03033	2.0
115.00274	4.3
116.00568	1.8
119.03436	3.1
119.04957	3.6
123.08064	2.4
125.02345	15.1
125.06006	2.1
125.09634	6.7
132.02112	1.8
133.02811	2.1
134.03737	2.1
135.00699	1.7
135.04486	3.6
135.08064	1.8
137.06096	1.5
143.03455	2.2
145.02887	2.2
149.02306	2.9
150.03183	1.8
151.00317	6.7
151.03891	2.1
152.01073	1.9
160.01598	4.6
161.02330	2.5
161.04524	3.9
163.03983	1.9
163.11255	14.2
165.05530	1.9
165.12788	6.9
167.03401	5.0
171.10245	26.6
175.03952	6.1
176.04381	1.7
179.05586	2.5
179.10745	1.8
181.12297	12.9
183.13858	35.0
183.15387	2.7
184.14241	2.3
185.11832	1.4
197.11804	3.1
199.13359	5.7
201.11307	11.4
207.10242	31.9
209.11809	79.8
210.12134	4.7
211.13416	2.6
225.11322	46.5
226.11559	2.7
227.12910	13.6
228.13174	1.8
235.08215	4.2
243.12448	13.2
253.09273	8.5
269.04398	2.4
271.06039	1.7
291.19714	13.8
292.20041	2.2
293.04761	2.4
308.60052	1.9
311.05530	2.2
323.09277	4.0
351.08792	5.6
365.10147	3.4
366.10992	3.6
376.08896	1.5
380.11890	2.1
394.10651	1.9
395.11105	2.4
396.11374	2.5
397.13516	7.3
409.12973	11.1
410.13324	9.6
411.13779	18.0
412.13715	2.1
415.14465	5.6
461.20413	6.6
463.21686	1.8
479.21454	3.6
527.31665	3.0
555.17365	2.0
601.36938	2.3
629.37048	2.1
645.21094	1.7
645.35236	8.2
653.31915	2.8
671.20233	2.3
671.32727	5.4
672.33752	1.8
689.21564	19.0
689.34125	100.0
690.22034	6.5
690.34601	17.4
699.24219	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	687.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	0.4
57.03338	23.2
59.01263	8.9
61.98712	2.8
69.61823	2.7
71.01267	2.4
73.02835	0.7
80.40984	0.4
82.81916	0.4
83.01270	0.8
83.04902	0.5
85.02836	1.1
86.69925	0.3
87.00778	0.8
88.98685	0.6
89.02345	0.6
93.03357	0.9
96.95889	0.4
99.00786	0.5
99.04421	6.2
101.02341	4.4
102.07549	0.4
106.34691	0.4
109.02869	0.8
113.02360	0.8
117.03365	1.3
119.04951	1.2
121.02895	0.5
123.04459	0.5
125.02369	5.6
127.03926	0.7
132.02049	0.5
133.02834	0.5
134.03737	0.5
135.04456	1.1
137.02376	0.5
145.02924	0.7
149.05983	0.7
151.00264	0.5
151.03886	0.8
152.01060	0.5
153.01877	0.6
154.44879	0.4
159.04439	0.5
161.02376	1.0
161.04520	0.4
163.03838	0.4
165.05457	0.5
177.01881	0.5
187.03979	0.4
189.01918	0.4
199.07710	0.6
201.01953	0.4
202.02802	0.6
203.03432	1.1
209.11803	0.9
214.02733	0.5
215.03508	2.7
223.07651	0.5
227.03540	3.7
229.09047	0.4
241.27132	0.4
245.04565	1.1
245.08168	1.1
251.07170	1.3
255.06592	0.6
257.08353	0.5
263.07089	0.9
267.03198	0.4
267.06598	1.0
269.08194	0.4
271.09891	0.4
278.05688	0.4
279.06805	1.8
281.04538	0.7
282.05334	1.2
288.09952	0.6
293.04587	1.2
294.05371	1.0
295.06061	3.3
296.06854	0.6
297.07748	0.9
307.06186	8.2
308.06784	1.6
312.06470	0.8
319.06183	3.4
320.06674	0.9
321.07870	0.4
325.07233	5.2
326.07660	0.6
335.09186	0.4
336.10236	0.5
337.07245	3.1
338.07996	0.9
348.09982	0.5
350.11694	2.2
351.12454	2.5
362.11722	2.7
363.12473	5.6
364.13019	0.7
365.10416	0.5
379.97711	0.4
380.12723	12.1
381.13510	100.0
382.13925	10.1
409.13046	0.5
411.14474	1.0
439.14029	0.7
465.36499	0.5
489.36148	0.5
525.17767	1.9
543.18842	37.6
544.19116	5.3
567.18988	1.4
583.35620	0.6
585.19910	45.4
586.20160	7.0
599.37872	0.5
625.23761	0.5
627.37567	1.3
643.23950	0.7
643.36853	1.2
687.23315	7.0
687.37201	1.2
688.23566	1.5
704.10565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.4
57.03329	1.1
58.00486	0.6
59.01263	7.1
61.98717	2.2
71.01269	83.1
72.01611	0.9
72.99197	15.1
73.02845	1.4
75.00760	0.5
83.01271	0.8
83.04913	0.8
85.02850	2.3
87.00777	1.5
89.02343	1.8
91.52230	0.4
93.03373	0.4
95.01350	0.6
95.04944	0.4
96.95911	0.8
96.99192	0.5
97.38658	0.4
99.00793	1.3
101.02360	3.0
108.02082	0.7
109.02887	1.4
109.06549	0.7
111.04428	0.5
113.02346	2.3
115.00287	11.7
119.03414	0.6
119.05025	0.3
121.02874	1.9
124.01630	0.5
125.02337	2.2
133.01373	0.5
133.02824	1.0
135.04445	1.2
137.02444	0.5
145.02878	0.6
147.04431	0.4
148.01601	0.8
149.02391	0.4
149.06036	0.4
151.00290	0.6
157.06390	0.4
159.79256	0.3
161.02319	0.8
161.04555	1.3
163.04019	0.5
163.11238	0.6
165.05437	0.6
171.10229	0.8
197.11751	0.6
199.03889	0.4
199.07626	0.8
201.11177	0.3
202.06364	0.4
203.07104	0.8
209.11816	2.0
215.07257	0.4
217.08812	1.1
225.11227	0.4
243.06732	0.5
246.00204	0.4
255.06650	0.9
256.07397	0.5
259.04712	1.3
286.08728	0.6
289.18210	1.5
293.04709	0.5
311.05701	0.5
319.10016	0.7
321.08176	0.7
321.11456	2.9
323.05643	0.8
333.07690	0.5
335.09283	1.1
336.10046	0.9
337.10965	0.6
347.09354	1.5
348.10168	1.1
349.07196	0.5
349.10858	0.9
360.10147	1.4
361.10944	0.7
363.08969	0.9
364.09534	0.8
365.10361	1.6
366.11166	2.0
375.08890	0.8
376.09552	2.2
377.10306	0.7
378.11203	3.7
379.11685	1.5
391.11871	3.8
392.12399	0.4
393.09644	0.9
394.10605	16.2
395.11084	2.9
397.13419	1.1
408.12289	0.7
409.12997	100.0
410.13297	11.0
465.32022	0.4
488.26776	0.4
497.26080	0.4
553.17426	3.4
554.17810	0.6
571.18286	6.3
572.18866	1.3
583.35449	0.7
599.34735	0.7
627.21289	0.5
627.37653	0.6
643.36646	1.3
669.18170	3.7
670.18756	0.7
687.20367	2.6
687.36548	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	685.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.3
61.98705	1.5
69.69173	2.7
71.01252	0.9
72.99197	0.5
78.92669	0.4
85.02864	0.4
87.00758	1.8
99.92496	0.7
101.02351	0.6
109.02841	0.9
112.98750	0.5
121.02924	0.5
129.74979	0.4
133.02890	1.0
135.04504	0.6
148.01591	0.6
149.02403	1.0
174.01680	1.6
175.02505	0.4
189.01912	1.0
201.01927	0.5
203.03386	0.7
211.13393	0.6
213.01935	0.8
215.03481	1.6
239.07162	1.2
256.07349	0.5
267.06671	1.3
269.04559	0.5
279.06805	0.6
281.24841	0.5
283.06256	1.0
295.06393	0.5
296.03168	0.5
297.03934	0.5
301.55176	0.4
311.05664	5.0
312.06396	1.1
323.05652	18.7
324.06110	2.0
337.10715	0.5
340.94250	0.5
344.05463	1.6
351.08893	0.7
365.10382	1.7
366.11124	6.5
367.11914	13.9
368.12253	1.3
384.00494	0.5
392.36603	0.5
398.10135	1.9
419.15054	6.6
420.15506	1.5
437.16147	100.0
438.16479	12.9
523.22791	0.7
641.22693	6.3
642.23053	1.2
685.28125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05345	0.2
55.57739	0.2
57.03342	4.6
58.84077	0.3
59.01266	7.4
61.98719	3.2
65.03848	1.2
66.84889	0.2
67.01778	0.5
69.03329	0.4
69.24483	0.5
69.24883	2.4
71.01266	6.1
72.99204	0.7
73.02817	1.5
75.00790	0.9
81.03349	0.4
81.88981	0.2
83.01274	2.0
85.02843	2.8
87.00785	0.9
87.04414	0.4
88.98705	0.3
89.02328	2.7
90.61443	0.2
91.05434	4.2
93.03357	9.1
94.03704	1.0
95.01284	1.5
95.04913	0.3
96.95914	0.8
97.02821	0.5
99.00781	0.9
99.04420	0.5
101.02341	3.4
101.66435	0.3
103.03946	0.3
107.04932	0.5
108.02087	0.6
108.94776	0.2
109.02863	11.4
109.03615	0.6
113.02367	2.4
117.03394	0.9
119.03448	1.3
119.04937	1.1
121.02872	12.1
123.04456	0.9
124.01582	0.3
125.02367	27.4
126.02685	0.8
131.04955	0.4
133.02933	1.6
134.03635	0.5
135.04446	33.9
136.03935	0.3
136.04759	1.4
137.02376	17.7
138.02701	2.0
143.03398	0.5
143.04950	0.9
145.02896	0.4
147.00734	0.3
147.04460	8.4
148.01598	10.2
148.04840	0.4
149.02383	12.4
149.05998	2.9
150.02824	0.6
150.06706	0.3
151.00284	0.7
151.03973	0.6
151.07526	0.4
152.01041	0.3
153.01846	0.4
159.04474	0.8
161.02386	50.3
161.04568	1.3
162.02724	2.4
163.03928	0.7
164.04729	8.4
165.01639	0.3
165.05431	0.8
167.03477	0.4
174.03180	1.0
175.00352	0.8
175.03960	23.8
176.01103	1.7
176.04294	1.4
177.01834	0.6
179.05565	0.9
179.07126	0.9
179.10583	0.4
187.03969	8.4
188.04471	0.5
189.12900	0.7
190.02704	2.1
191.03479	2.2
191.08730	0.5
193.01376	0.4
197.09898	0.3
198.07053	0.2
205.05048	2.3
206.05394	0.3
207.08223	0.5
209.11806	1.2
223.06119	16.3
224.06461	0.9
225.09239	0.5
227.07185	0.7
235.07646	0.7
251.07071	1.4
252.07707	0.3
253.08824	0.6
255.06628	0.5
269.04507	0.3
271.06210	0.7
279.06671	5.3
280.06888	0.6
293.04703	0.5
297.07730	100.0
298.08087	7.9
299.05560	0.4
352.09650	0.3
367.10471	1.0
378.44424	0.3
387.19818	0.3
413.08612	0.4
559.14740	0.4
641.24670	0.8
641.35291	0.3
684.82562	0.4
685.18103	0.6
685.27057	1.7
685.37823	1.5
686.17639	0.4
686.29065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48695	0.4
57.03329	0.5
59.01266	12.4
61.98706	2.3
71.01274	6.7
71.56271	0.8
72.99173	0.6
73.02833	5.0
74.15739	0.5
75.00754	0.6
83.01294	2.6
83.04908	0.8
85.02841	1.7
87.00780	0.8
87.22878	0.4
89.02340	1.5
93.03320	0.6
95.01274	0.8
96.95945	0.7
99.00739	0.5
101.02346	4.1
104.67050	0.4
108.02093	0.5
109.02792	1.0
113.02365	1.4
117.03412	0.8
119.03415	0.5
119.04945	1.1
121.02877	0.6
123.04458	0.8
125.02388	1.9
132.02101	2.1
133.02896	0.8
135.04411	2.1
137.02394	0.9
149.06004	0.9
161.02373	1.2
161.04546	0.7
163.03867	0.5
163.11180	0.4
165.05550	0.6
171.10291	0.5
174.03145	1.0
175.03969	1.0
177.01863	1.3
184.01630	0.5
187.07605	1.0
190.02582	0.5
191.03490	0.7
202.02745	3.3
203.03424	1.3
209.11807	1.7
221.11836	0.9
223.07700	0.7
225.05484	0.8
238.06372	0.5
239.07132	2.0
240.07828	0.7
250.06239	0.5
251.07176	1.9
252.07742	0.8
253.05022	1.0
253.08862	0.6
255.06656	0.5
266.05933	0.7
267.06638	3.3
268.07385	0.7
269.08090	0.6
273.07700	0.5
279.06436	0.6
281.04572	2.8
282.05472	2.9
293.04568	0.6
294.05450	3.0
295.06186	12.5
296.06934	13.6
297.07724	5.3
323.12320	0.6
328.05768	0.6
337.10892	1.1
339.12625	0.8
347.09314	1.3
348.10025	2.2
349.10797	2.4
352.09494	1.8
365.10361	5.6
366.11102	6.0
367.11859	3.3
379.12314	0.6
395.11539	0.9
398.10147	1.0
419.15054	8.3
420.15527	1.7
437.16147	100.0
438.16492	11.8
463.34308	0.8
481.18805	1.5
505.61771	0.5
523.29340	0.8
641.22632	5.8
641.35699	1.4
642.23041	1.1
685.26190	5.4
685.39777	2.2
686.26343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90596	0.3
57.03352	0.5
58.83676	0.3
58.91080	0.3
59.01275	2.2
60.99192	14.9
61.98715	0.6
62.96059	0.4
65.00201	1.3
66.40276	0.3
71.01266	1.4
71.51154	0.6
72.99195	0.5
83.01270	0.5
85.02847	0.5
87.18503	0.3
88.98698	100.0
89.02336	0.8
89.99043	1.1
93.03363	0.8
95.01266	0.4
101.02348	1.3
107.01311	1.4
108.02077	0.9
109.02831	0.8
113.02396	0.5
119.04935	0.4
121.02905	0.5
125.02332	1.0
135.04443	5.3
137.02385	2.8
138.02702	0.9
151.00311	9.0
152.01065	1.1
153.01913	0.8
158.69019	0.4
161.02327	0.6
165.05551	0.5
167.03401	0.4
169.01294	0.6
193.01437	0.4
195.06648	0.4
205.05165	0.5
284.03369	1.2
285.04041	1.5
286.04340	0.4
287.05591	0.9
447.11761	0.5
459.11728	2.0
523.22437	0.5
540.14185	0.4
593.15222	1.3
594.15570	0.5
595.16742	22.8
596.16943	3.5
685.27850	2.6
685.38489	0.5
686.17834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00488	0.3
59.01264	100.0
60.01612	0.7
61.98713	1.0
63.96440	0.2
71.01273	4.0
72.99191	2.8
73.02835	1.5
75.00758	0.5
83.01289	0.8
85.02846	1.4
85.45327	0.2
87.00780	0.3
89.02355	1.1
90.25510	0.2
93.03352	4.2
95.01276	0.4
96.95929	0.5
97.02852	0.2
99.00796	1.0
101.02353	2.7
103.00279	0.6
105.03388	0.3
113.02383	1.6
116.92776	0.4
117.03418	0.5
119.04910	0.8
121.02867	0.6
123.04428	0.4
125.02372	0.9
135.04570	0.3
137.02383	7.6
143.03305	0.2
145.02925	0.3
150.03122	0.4
151.00290	0.5
151.03960	1.0
152.01096	0.4
160.01591	0.2
161.02377	5.5
161.04398	1.4
163.04039	0.3
164.04749	0.6
165.01849	0.2
165.05516	0.3
176.04762	5.3
177.05193	0.3
179.03452	8.4
179.06973	0.3
180.04012	0.6
181.05127	0.3
187.02293	0.3
191.07098	2.7
192.04150	0.4
194.05820	15.2
195.06410	1.3
209.08179	74.5
210.08478	3.5
223.83189	0.2
225.07680	0.4
269.10382	1.9
271.06165	0.4
272.06790	0.3
335.05658	0.5
365.06311	0.3
392.30005	0.3
401.14563	7.9
402.14923	0.8
419.17188	7.8
420.17468	1.0
421.18887	0.6
425.08914	0.8
502.98178	0.3
521.33063	0.3
533.60657	0.3
545.13086	1.6
683.28442	0.4
683.39569	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50717	0.7
53.79330	0.7
54.42634	0.6
56.71166	0.9
57.03324	1.8
58.56198	0.7
59.01262	16.1
61.98711	6.0
65.00207	1.3
65.03850	2.6
65.49355	0.6
67.54208	0.7
69.03321	0.9
70.71535	1.5
70.71896	1.4
71.01265	12.3
72.99190	1.4
73.02839	3.2
75.00767	1.2
78.75849	0.8
81.03354	0.8
83.01267	2.4
85.02848	4.8
87.00777	2.5
88.98726	0.8
89.02325	3.8
91.01801	1.6
91.05431	10.7
93.03362	6.3
95.01257	0.8
95.53250	0.7
96.95896	1.2
97.02811	1.1
99.00756	2.2
101.02345	6.7
107.01324	0.8
108.02076	3.0
109.02861	35.4
110.03240	1.1
113.02343	5.5
117.03324	0.9
119.01288	4.1
119.03375	0.8
119.04948	2.7
119.53823	0.7
121.02865	20.8
121.04952	0.7
121.06448	0.8
122.03690	1.4
123.04407	2.6
124.39904	0.7
125.02376	4.3
133.02863	2.4
134.03629	2.1
135.04449	90.5
136.01727	0.8
136.04823	3.3
137.02359	4.8
139.03876	0.8
143.03429	1.5
145.02866	0.8
147.00832	2.6
147.04460	8.9
148.01555	2.0
148.05197	7.9
149.02386	18.4
149.05994	5.7
150.03198	4.2
151.00305	2.7
151.03889	2.5
152.01088	1.8
153.01851	2.3
159.04498	1.5
160.01639	0.9
160.05206	1.8
161.02400	6.3
161.04497	1.8
161.05901	1.1
163.03918	2.8
164.04758	16.4
165.01875	2.9
165.05446	3.3
167.07115	5.3
168.04202	1.0
175.00339	29.0
175.03944	2.0
176.01108	15.8
177.01816	1.4
178.06216	1.3
179.05719	0.8
179.07080	3.1
179.10704	1.1
185.02402	1.2
189.01938	1.6
190.02698	75.3
191.03476	19.8
192.04062	1.7
193.01369	1.0
193.04987	2.0
193.08694	15.3
194.02168	0.8
194.08882	0.9
195.03040	0.9
205.05057	84.1
206.05460	4.3
208.03705	1.7
209.04562	4.2
211.07710	1.0
223.04135	1.3
223.06122	19.2
224.06401	0.8
226.10124	1.0
232.03603	0.9
252.07878	2.0
253.08485	0.9
255.06787	1.9
267.06677	1.1
269.04752	0.9
269.08273	1.8
270.08951	3.6
271.06256	5.7
282.05365	1.5
295.06195	5.4
297.07724	6.8
297.11365	2.0
300.09979	1.1
315.12448	52.1
316.12814	5.9
329.13858	1.0
339.12381	1.0
352.07791	0.7
353.08920	7.7
367.10416	91.7
368.10794	6.3
479.33710	3.1
521.22009	1.4
521.34741	1.5
615.81281	1.7
683.23529	100.0
683.36017	3.3
684.23792	18.8
684.34955	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	683.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47813	0.2
53.68955	0.2
54.79599	0.2
55.01773	0.3
57.03333	0.9
58.00481	1.8
59.01265	40.7
60.01602	0.3
61.60457	0.2
69.38015	1.8
71.01270	30.5
72.01603	0.5
72.99200	1.9
73.02835	1.3
75.00766	0.6
83.01269	1.1
85.02843	5.0
87.00771	2.2
89.02336	34.1
90.02663	0.5
91.30014	0.2
95.01289	1.8
96.83931	0.2
97.02859	0.4
98.20590	0.4
99.00784	0.5
99.04420	0.2
101.02347	13.8
102.02717	0.3
113.02361	11.7
119.03418	11.9
125.02370	0.5
131.02600	0.2
131.03404	1.3
136.21622	0.2
143.03444	2.5
149.04501	1.1
155.52998	0.2
161.04515	2.9
179.05580	13.9
179.28430	0.2
180.05914	0.5
195.74889	0.2
281.73877	0.2
294.78915	0.2
341.10962	100.0
342.07800	0.3
342.11322	7.2
647.36621	0.3
683.18555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	4.7
59.00961	1.9
59.01263	31.0
61.98705	18.5
68.94774	1.4
69.03302	2.4
71.01266	30.4
72.99178	4.8
73.02837	8.4
75.00738	5.2
81.03358	1.9
83.01263	5.3
83.04861	1.8
84.99539	1.3
85.02838	12.0
87.00774	6.6
88.98669	3.6
89.01936	1.5
89.02342	15.6
91.05401	4.9
93.03352	14.4
95.01268	3.0
96.95885	6.2
97.02839	2.7
98.19833	3.1
99.00768	4.2
99.04392	1.6
100.01835	1.3
101.02347	17.2
103.75150	1.4
104.27885	1.5
105.07027	2.1
107.01286	1.7
108.02071	15.3
109.02886	18.9
111.00725	1.8
111.04433	1.5
113.02348	11.0
115.00228	1.4
116.71030	1.3
116.92747	2.7
117.03338	3.2
119.01259	4.4
119.03396	5.1
119.04910	4.8
121.02877	20.0
122.03634	2.7
123.04439	13.2
125.01582	1.5
125.02384	14.6
125.03301	2.2
131.03329	1.4
133.02821	2.9
134.03622	4.5
135.04448	54.7
135.89517	1.2
136.04782	1.6
137.02373	21.0
139.03899	1.4
143.03372	2.9
145.02769	1.5
147.00790	2.7
147.04431	11.9
148.01602	3.1
148.05188	1.3
149.02370	20.1
149.04851	1.9
149.06010	32.8
150.03105	4.9
151.00217	4.2
151.03914	2.5
152.01080	14.5
153.01881	6.6
161.02377	8.3
161.04474	5.4
161.05989	9.8
162.06764	2.8
163.03896	4.6
164.04732	17.6
165.01865	4.5
165.05415	3.8
166.02641	3.0
173.05956	2.4
175.00340	22.4
175.03787	3.2
176.01118	13.4
177.01834	3.6
179.03622	2.2
179.05492	2.9
179.07024	4.9
180.04234	1.4
181.04961	4.2
187.03860	1.7
190.02686	64.4
191.03419	16.8
193.01447	2.7
193.04958	4.0
195.06548	2.6
205.05040	69.6
206.05287	3.5
208.03650	2.2
209.04460	3.6
215.07071	2.0
221.08096	1.8
223.06105	16.1
227.10616	1.8
229.08650	3.1
229.15854	1.5
253.04967	2.4
253.08643	2.6
269.04678	6.7
270.04791	1.4
271.09799	40.6
272.10001	2.8
281.04501	1.7
285.03906	2.6
287.05573	3.5
287.22391	2.3
297.07608	2.2
311.05188	1.5
315.08527	7.5
323.05457	1.9
325.03760	1.6
335.05505	2.7
365.06256	1.7
367.10367	22.4
368.10651	1.9
417.15320	3.9
425.08582	5.4
437.88708	1.5
441.08060	1.9
445.07660	2.6
461.23816	3.6
477.07800	2.3
477.14114	30.2
478.14410	3.3
545.13123	9.3
601.27063	2.0
601.79010	1.9
611.34076	2.2
623.29218	15.8
624.28558	2.1
639.21216	13.4
639.31030	2.2
651.16882	4.8
665.18945	6.5
682.80988	2.4
683.19537	100.0
683.38281	5.5
684.19916	14.7
684.31561	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	683.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57397	1.0
58.01050	1.2
59.01267	29.0
61.98720	7.0
71.01265	4.4
73.02866	1.8
74.06279	1.3
85.02852	2.6
89.02377	1.2
96.95947	2.5
98.20673	2.2
101.02336	3.9
107.04942	1.3
109.02861	2.6
113.02341	2.1
119.85139	1.2
121.02901	2.2
125.02361	1.5
132.05598	1.2
133.02881	2.0
135.04410	1.8
136.05179	1.4
137.06035	13.4
147.04524	1.3
148.01602	3.4
149.02386	2.9
149.06026	3.6
163.07614	1.2
164.04773	1.7
165.05525	10.9
177.01776	1.7
197.06273	1.5
201.01929	2.4
215.03441	1.5
227.03358	1.6
229.05077	1.3
241.05130	4.3
242.50540	1.2
255.06740	4.3
256.07474	2.4
272.15585	1.2
281.04715	1.6
283.06256	3.0
298.04941	1.5
311.05722	18.8
312.06076	1.8
321.07599	2.0
323.05658	5.1
337.10757	1.7
347.09277	3.1
349.07159	3.1
350.07990	3.4
351.08813	12.6
363.08896	4.7
364.09744	8.1
365.10254	11.6
377.10202	1.8
381.09863	5.7
391.11649	1.8
392.12946	2.3
396.08743	2.5
401.13962	2.8
404.12891	2.9
420.11969	2.6
421.12930	4.8
435.14563	100.0
436.14896	11.5
449.16199	3.2
450.16916	7.7
451.17636	3.0
461.33041	6.0
478.32312	1.5
479.17264	21.5
479.33972	13.4
520.21252	9.3
521.21936	13.6
521.34564	1.9
623.21686	7.1
623.37872	6.8
639.22083	2.0
641.39996	1.7
682.38214	1.5
683.27374	88.9
683.39893	12.8
684.27496	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	683.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	6.3
57.95711	0.4
59.01263	3.2
60.99196	2.1
61.98707	1.6
63.23306	0.4
69.03327	0.4
71.01266	3.6
72.99213	0.6
73.02835	0.7
74.78519	0.4
75.00763	0.9
77.59563	0.3
83.01274	0.8
85.02830	1.3
87.00764	1.1
88.98698	14.5
88.99259	0.8
89.02325	2.2
89.59354	0.3
89.99000	0.5
93.03355	32.1
94.03698	1.3
95.01304	0.6
96.95903	1.0
97.02869	0.5
99.00777	0.9
100.72791	0.4
101.02341	2.8
107.01271	0.4
108.02083	2.3
109.02847	1.6
113.02341	1.2
116.92740	0.7
118.34872	0.4
119.03441	0.7
119.04939	1.1
121.02850	0.9
123.04397	0.5
124.01538	0.6
125.02354	2.9
133.02849	0.8
135.04445	0.4
137.02371	100.0
138.02716	2.9
149.02350	0.7
150.05545	0.4
151.00302	2.3
151.03949	0.8
152.01068	2.4
153.01900	2.3
153.05521	0.4
160.03984	0.7
161.04474	0.8
164.04738	0.6
165.01859	0.5
165.05516	0.8
179.03496	0.8
179.05608	0.5
182.02234	0.4
191.03453	0.4
193.05130	0.5
194.05785	0.4
195.06602	0.9
197.04518	0.5
223.06175	0.5
232.71397	0.4
269.04611	0.8
271.06201	1.4
284.03366	3.7
285.04123	6.3
315.07483	0.9
362.14474	0.5
401.10855	0.5
405.15866	0.4
539.14191	12.5
540.14673	1.6
545.12720	0.5
581.15247	6.3
582.15521	1.0
593.15277	9.7
593.24976	0.7
594.16003	1.4
595.16870	1.5
621.18634	1.7
623.26086	0.4
683.17719	5.1
684.18042	1.0
684.28644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40758	0.3
57.03333	0.7
59.01265	5.0
61.98709	3.4
65.00211	0.3
65.03842	1.1
69.39137	2.3
71.01268	2.4
72.99199	0.6
73.02834	0.8
75.00778	0.5
81.03338	0.3
83.01279	0.8
83.04929	0.3
85.02837	1.6
87.00758	0.6
88.98701	0.6
89.02332	1.2
93.03357	85.2
94.03683	2.5
95.01281	0.6
95.04919	0.3
96.95921	1.9
97.02863	0.3
99.00780	0.8
101.02354	1.8
107.01315	0.5
108.02081	2.0
109.02856	1.1
111.00795	0.3
113.02334	1.9
116.92831	0.3
117.03378	7.4
119.03407	0.4
119.04949	1.0
119.28648	0.3
121.02843	1.4
122.02380	0.4
123.00773	0.3
123.04498	0.6
124.01595	0.5
125.02353	2.0
125.06051	0.3
133.02885	0.7
134.03624	0.6
135.04431	1.0
137.02374	100.0
138.02699	3.4
138.05495	0.3
139.04005	0.4
143.03366	0.5
145.02831	0.3
147.04446	0.5
149.02371	0.9
149.05988	0.5
151.00299	0.8
151.03966	0.3
152.01080	2.1
153.01923	1.5
159.04449	0.5
161.02440	1.9
161.04489	0.7
163.03940	0.7
164.04715	0.4
165.01866	0.2
167.03503	0.5
173.02380	2.6
175.00334	0.6
175.03944	0.7
177.01837	0.6
177.05482	0.5
178.94843	0.3
179.03378	0.5
179.05557	0.4
179.07101	0.3
185.02455	1.0
187.03917	1.4
189.01828	1.5
189.05600	0.3
190.02672	0.6
191.03461	0.4
193.05118	0.5
197.02405	0.3
201.01945	0.4
203.03511	0.8
205.05096	0.6
209.11861	3.2
213.21730	0.3
215.03542	1.7
217.01414	1.5
223.06030	0.5
227.03262	0.3
227.12889	1.6
231.02945	0.3
241.01451	0.7
253.05078	0.5
269.04596	0.8
271.06192	0.7
282.86115	0.4
283.06329	0.5
284.03018	0.3
285.03992	0.4
287.05783	0.5
293.04691	1.2
295.06198	0.5
297.07437	0.4
305.04547	2.4
306.05237	2.1
307.06183	3.8
309.07736	0.4
311.05521	0.5
315.07355	1.2
323.05643	0.9
335.05695	9.7
336.05945	1.2
337.07257	0.4
338.04318	0.4
339.05017	0.7
347.05646	0.5
351.05142	0.6
353.06848	0.5
365.06662	4.4
385.09113	0.3
395.07950	0.6
425.08875	38.8
426.09186	4.8
429.08380	0.8
433.13840	0.6
441.08243	0.6
455.10013	1.0
459.10333	0.3
527.12207	1.0
545.13123	48.5
546.13428	6.5
561.12634	0.9
683.15289	4.3
683.27875	1.3
683.37024	0.5
684.17426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80685	0.3
57.03319	0.4
59.01262	4.3
61.98715	2.8
65.00210	0.6
71.01266	2.7
72.99197	0.6
73.02829	1.2
75.00764	0.5
83.01289	0.9
85.02839	1.0
87.00767	0.6
88.70664	0.3
89.02335	1.8
93.03352	6.7
93.25092	0.3
95.01264	0.5
96.95901	1.1
99.00789	0.8
101.02359	1.4
105.79482	0.3
106.63177	0.3
107.01319	0.4
109.02834	0.4
113.02361	1.0
116.66133	0.3
116.92779	4.2
117.01866	0.5
117.03378	14.5
118.03716	0.6
119.03425	0.5
119.04961	0.7
119.88251	0.3
121.02872	0.9
123.04464	0.5
125.02364	0.8
133.02863	0.4
133.04930	0.5
135.04404	1.1
137.02385	4.7
140.07126	0.4
145.02899	0.9
145.35312	0.3
147.04468	0.3
149.02347	0.5
151.00337	0.8
159.02933	0.3
159.04442	0.6
161.02380	2.2
161.04515	0.5
163.03963	1.2
173.02408	6.7
175.03954	0.8
177.01912	0.4
177.05496	0.6
185.02405	3.7
187.03996	2.4
188.01141	0.4
189.01929	2.8
197.02415	1.6
197.04350	1.7
201.01906	0.6
203.03462	1.4
215.03508	3.9
216.03874	0.3
217.01384	3.1
223.05963	0.3
227.03442	0.7
229.11636	0.3
233.04396	0.3
235.07623	0.6
241.01402	1.0
246.59332	0.3
248.05168	0.4
261.05676	0.5
263.07147	0.5
271.02643	0.8
271.05826	0.4
277.05310	0.4
278.05606	0.4
279.06644	0.7
283.06119	0.5
289.05206	0.5
293.04572	1.3
295.06149	0.7
297.07889	0.3
305.04614	6.5
306.05353	5.5
307.06174	7.8
308.06485	0.7
309.07605	0.5
311.05756	0.6
317.04626	0.8
321.04105	0.3
323.05621	0.6
331.04718	0.5
335.05692	33.9
336.06085	3.3
337.07047	0.4
338.04526	1.2
349.07028	0.4
351.05215	0.4
353.06653	0.9
365.06772	7.0
366.07071	0.7
377.06537	0.6
383.07404	0.4
395.08020	0.8
425.08878	66.2
426.09250	6.8
441.08252	0.5
455.09927	7.1
456.10138	1.0
521.33350	1.1
545.13141	100.0
546.13531	12.0
561.13092	0.4
563.14081	2.1
614.19324	0.3
683.15906	2.1
683.38904	3.3
684.16705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40758	0.3
57.03333	0.7
59.01265	5.0
61.98709	3.4
65.00211	0.3
65.03842	1.1
69.39137	2.3
71.01268	2.4
72.99199	0.6
73.02834	0.8
75.00778	0.5
81.03338	0.3
83.01279	0.8
83.04929	0.3
85.02837	1.6
87.00758	0.6
88.98701	0.6
89.02332	1.2
93.03357	85.2
94.03683	2.5
95.01281	0.6
95.04919	0.3
96.95921	1.9
97.02863	0.3
99.00780	0.8
101.02354	1.8
107.01315	0.5
108.02081	2.0
109.02856	1.1
111.00795	0.3
113.02334	1.9
116.92831	0.3
117.03378	7.4
119.03407	0.4
119.04949	1.0
119.28648	0.3
121.02843	1.4
122.02380	0.4
123.00773	0.3
123.04498	0.6
124.01595	0.5
125.02353	2.0
125.06051	0.3
133.02885	0.7
134.03624	0.6
135.04431	1.0
137.02374	100.0
138.02699	3.4
138.05495	0.3
139.04005	0.4
143.03366	0.5
145.02831	0.3
147.04446	0.5
149.02371	0.9
149.05988	0.5
151.00299	0.8
151.03966	0.3
152.01080	2.1
153.01923	1.5
159.04449	0.5
161.02440	1.9
161.04489	0.7
163.03940	0.7
164.04715	0.4
165.01866	0.2
167.03503	0.5
173.02380	2.6
175.00334	0.6
175.03944	0.7
177.01837	0.6
177.05482	0.5
178.94843	0.3
179.03378	0.5
179.05557	0.4
179.07101	0.3
185.02455	1.0
187.03917	1.4
189.01828	1.5
189.05600	0.3
190.02672	0.6
191.03461	0.4
193.05118	0.5
197.02405	0.3
201.01945	0.4
203.03511	0.8
205.05096	0.6
209.11861	3.2
213.21730	0.3
215.03542	1.7
217.01414	1.5
223.06030	0.5
227.03262	0.3
227.12889	1.6
231.02945	0.3
241.01451	0.7
253.05078	0.5
269.04596	0.8
271.06192	0.7
282.86115	0.4
283.06329	0.5
284.03018	0.3
285.03992	0.4
287.05783	0.5
293.04691	1.2
295.06198	0.5
297.07437	0.4
305.04547	2.4
306.05237	2.1
307.06183	3.8
309.07736	0.4
311.05521	0.5
315.07355	1.2
323.05643	0.9
335.05695	9.7
336.05945	1.2
337.07257	0.4
338.04318	0.4
339.05017	0.7
347.05646	0.5
351.05142	0.6
353.06848	0.5
365.06662	4.4
385.09113	0.3
395.07950	0.6
425.08875	38.8
426.09186	4.8
429.08380	0.8
433.13840	0.6
441.08243	0.6
455.10013	1.0
459.10333	0.3
527.12207	1.0
545.13123	48.5
546.13428	6.5
561.12634	0.9
683.15289	4.3
683.27875	1.3
683.37024	0.5
684.17426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	4.0
61.98706	0.9
69.38145	3.2
71.01271	1.5
75.00755	1.7
83.01299	0.5
85.02869	0.7
89.02359	0.7
93.03357	5.6
98.19746	0.7
101.02358	1.1
103.00270	4.1
107.01315	0.5
108.02113	1.0
109.02836	0.9
113.02338	0.6
117.03369	17.8
118.03775	0.5
119.05012	1.1
119.88276	0.7
121.02900	0.5
135.04485	0.7
137.02370	4.1
139.00272	0.5
145.02872	0.7
149.02367	0.5
151.00316	1.7
152.01051	1.6
153.01868	1.4
161.02449	2.2
161.04561	0.5
163.03967	1.3
173.02396	7.0
175.03822	0.5
177.05573	1.3
185.02403	3.0
187.03960	3.9
189.01884	3.2
193.22629	0.4
197.02426	2.5
201.01860	1.0
203.03450	0.9
215.03491	5.0
217.01410	4.0
227.03494	0.7
241.01387	3.2
261.05679	0.6
263.07172	0.7
271.02869	0.5
271.06155	1.7
279.06870	0.6
289.05161	0.6
293.04727	2.1
293.07822	0.5
294.05103	0.6
305.04633	7.1
306.05377	5.0
307.06143	9.9
308.06598	0.9
315.07382	1.5
317.04605	0.8
323.05719	0.6
335.05682	31.8
336.06018	3.0
338.04434	1.5
347.06006	0.8
353.06750	1.3
365.06744	8.7
366.07031	0.5
383.07727	1.2
425.08856	100.0
426.09198	11.1
455.09885	1.9
545.13110	91.4
546.13470	15.3
563.14337	2.8
564.15167	0.5
579.17285	2.6
580.17828	1.2
650.71991	0.5
683.16394	2.8
683.27362	1.3
683.38501	1.0
684.16278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03337	14.8
59.01263	43.2
68.99689	2.9
69.03336	3.8
71.01270	27.1
71.56034	1.0
72.99201	5.8
73.02824	2.9
75.00365	1.3
75.00761	18.8
81.03352	2.1
83.01273	12.1
85.02347	1.9
85.02840	27.5
87.00774	11.5
87.88002	0.9
89.02337	6.4
91.03844	1.0
95.01280	7.2
96.95901	1.9
97.02859	7.2
99.00176	1.1
99.00781	15.7
99.04414	10.7
101.02357	7.0
103.00260	3.2
111.00776	2.2
113.02362	43.6
114.02734	1.1
115.00268	2.3
117.01844	3.2
125.01443	2.0
125.02363	36.3
129.01840	3.5
130.80031	0.9
131.03473	1.1
141.01831	1.3
143.03458	1.1
143.39735	0.9
151.04019	1.0
153.01917	1.3
157.01344	2.5
161.02374	0.9
161.04517	2.2
175.02394	3.4
205.07140	2.5
231.05066	3.3
233.51143	1.2
249.03545	1.3
249.06172	29.6
267.07275	64.0
268.07541	3.9
291.07333	3.1
298.27155	1.0
309.08304	16.5
333.08499	1.1
349.11041	1.9
351.09433	1.8
369.29248	1.0
375.09146	1.6
393.10361	6.0
394.11160	1.0
411.11322	4.7
431.12003	1.6
505.20566	1.1
540.97021	1.3
555.15839	7.7
574.09064	1.0
681.18994	100.0
682.19348	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	681.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.9
57.03338	4.9
59.01261	11.6
61.98718	9.8
64.19148	0.8
65.00209	7.2
69.03336	1.1
70.59048	2.4
71.01270	11.0
72.99181	2.3
73.02829	3.3
75.00758	2.5
77.62700	0.8
78.95786	2.2
83.01283	6.7
85.02853	5.5
87.00767	3.7
88.98697	0.8
89.02311	4.3
93.03371	2.2
95.01285	2.3
96.95922	7.9
96.96857	3.4
97.02840	1.0
98.02367	2.7
98.95507	1.6
99.00766	3.4
99.01907	1.1
101.02345	7.7
107.01291	12.0
108.02045	1.6
109.02859	4.2
111.00758	1.5
113.02370	5.0
116.92746	3.0
117.03372	1.1
119.03457	1.4
119.04942	2.0
121.02876	1.8
123.04385	1.5
124.01572	1.4
124.81425	0.8
125.02364	30.6
131.01273	1.6
131.03400	0.9
133.02853	2.4
134.03658	1.5
135.04417	3.2
137.02382	6.3
145.02872	1.2
146.03661	0.8
147.00777	0.9
149.02368	3.3
149.06059	0.9
150.02965	0.7
151.00313	39.4
151.03911	1.2
152.00793	2.4
153.01852	2.7
153.64851	0.9
157.61836	0.8
159.00787	3.1
159.02901	0.9
159.04420	1.0
160.01617	1.0
161.02393	23.5
161.04510	2.5
162.02925	1.8
163.00227	1.0
163.03880	3.2
165.01894	6.7
166.02681	1.5
167.03458	1.7
168.00607	0.9
169.01300	2.9
169.39117	0.8
173.02409	0.8
174.03105	1.2
175.00322	2.9
175.02446	0.8
175.03922	2.2
176.00992	1.5
177.01894	2.2
179.03430	2.3
181.05019	1.2
185.02396	1.7
187.00331	1.7
189.01900	39.9
190.02281	2.5
191.03375	1.2
193.01430	1.5
193.04996	2.9
194.02199	1.0
195.02898	1.1
195.04514	1.2
204.04196	1.5
205.01387	1.2
205.05042	1.9
209.08107	1.0
211.03986	1.9
213.05594	1.1
219.02988	4.0
221.04538	8.3
223.03970	2.1
223.06081	2.4
227.03564	4.2
229.04924	1.1
235.02412	3.5
238.02678	1.1
239.03470	3.6
240.04074	1.4
247.02545	8.6
250.02765	1.6
251.03477	7.7
253.01334	2.0
253.05060	1.4
255.03065	2.6
263.01965	3.9
266.02264	15.9
267.03024	9.9
268.03674	1.6
269.04608	2.3
271.05981	2.2
271.09702	1.4
279.03110	2.0
284.03326	1.1
285.03986	1.0
293.04578	2.5
294.01852	1.8
295.02533	79.3
296.03064	16.3
297.04062	6.4
298.01245	1.0
298.04712	1.9
306.09598	0.8
309.04016	1.5
311.02023	1.3
313.03613	1.0
313.07199	1.1
322.01242	32.7
323.02020	100.0
324.02585	21.6
325.03552	6.7
336.02756	1.5
337.03476	3.5
339.01428	1.7
340.02200	2.0
341.03006	2.4
352.02277	1.5
354.03876	32.4
355.04504	11.1
357.13098	1.0
366.03848	1.3
367.04510	1.6
395.56445	0.8
408.04855	0.9
417.15530	2.7
426.05948	1.6
459.11557	22.9
460.11731	3.2
477.12552	18.6
478.12860	1.8
484.06610	1.4
486.08026	2.0
487.08722	2.3
514.07751	2.2
571.13428	1.1
592.68750	0.9
604.14563	4.0
605.14960	3.2
631.13129	26.0
631.29181	1.7
631.79883	2.9
632.13971	4.3
632.30511	1.4
632.79193	0.9
637.18250	1.5
637.34186	2.3
649.14386	5.1
650.80591	3.8
651.30444	1.9
651.79883	1.2
663.15759	58.3
664.15833	9.4
681.16760	90.8
682.17090	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	679.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.2
57.03340	2.9
59.01268	16.3
59.75804	0.6
61.98730	7.3
63.02295	3.0
65.00211	14.8
68.99706	0.8
69.63797	4.7
71.01273	8.8
71.04928	0.8
72.99204	1.9
73.02842	2.7
75.40617	0.7
83.01279	8.8
83.04920	0.8
85.02847	3.8
86.36089	0.6
87.00777	3.9
88.98708	0.8
89.02366	4.0
91.61345	0.8
93.03368	7.3
95.01295	1.3
95.04944	1.2
96.58189	0.7
96.95929	1.7
97.02821	0.7
99.00783	2.4
99.04429	1.0
101.02350	6.6
107.01293	24.0
107.04964	0.8
108.02091	5.1
109.02856	2.4
113.02372	4.3
117.03411	1.5
117.05494	1.7
119.04948	46.9
120.05272	2.4
121.02890	4.1
123.04431	1.2
125.02374	10.8
131.01381	1.0
131.03477	0.9
133.02905	1.1
134.03688	2.0
135.04433	4.2
137.02333	3.4
138.01894	4.5
143.03395	1.0
143.04935	1.2
145.02879	7.1
146.08067	0.9
147.04474	0.8
149.02379	10.3
149.06017	1.6
151.00314	100.0
151.03940	2.0
152.01103	6.6
153.01683	0.9
160.01596	1.4
160.03999	4.0
161.02385	2.5
161.04439	3.4
161.05939	1.4
161.08064	0.8
163.00369	1.4
163.04005	1.5
164.01088	2.0
164.04778	10.0
165.01900	4.9
165.05566	1.6
169.01407	3.2
173.08200	0.8
175.00372	3.5
175.03937	1.9
177.01912	7.7
177.05511	1.3
179.03436	2.3
179.07103	1.4
185.06065	2.3
187.03976	3.3
190.02686	2.2
191.07158	2.3
193.01382	2.0
193.05000	0.9
196.00095	0.8
205.05098	2.3
208.03687	1.0
217.01329	1.0
223.06111	17.3
227.07237	3.5
229.05168	1.4
230.21941	0.8
235.02486	1.1
253.04987	1.3
269.04483	1.5
270.05325	0.9
271.06183	53.6
272.06494	5.0
313.07117	1.1
335.05820	1.6
339.07245	1.8
346.07407	0.8
355.11826	1.2
355.15665	1.9
407.16586	0.8
425.08594	2.0
447.11581	1.1
459.12573	3.2
501.12540	9.0
502.12949	1.0
545.13196	1.8
559.16516	5.9
561.16296	1.6
579.17310	5.5
589.26306	1.2
621.18396	69.3
622.18701	8.7
635.33545	1.5
636.32642	0.8
643.38013	1.1
661.21497	5.2
662.21417	1.0
679.22455	35.6
679.33447	2.5
680.22540	6.4
680.32782	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	679.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.0
57.03339	6.6
59.00995	1.4
59.01265	20.9
61.98715	12.0
65.00199	4.5
69.03321	2.0
70.71459	3.1
71.01270	15.8
71.04871	1.2
72.99189	3.9
73.02837	6.2
75.00724	1.4
81.03360	1.8
83.01263	6.0
85.02838	10.4
87.00761	3.6
87.04392	1.2
88.98664	1.6
89.02336	3.9
93.03345	4.6
95.01281	2.8
95.73227	0.9
96.95888	3.3
97.02837	1.6
98.95507	1.1
99.00748	4.3
99.04402	1.1
101.02347	8.6
107.01299	8.0
108.02082	62.4
109.02889	15.9
110.76486	1.0
111.04433	2.2
113.02358	7.3
115.00288	1.2
116.92742	1.5
117.03353	3.2
117.05482	2.2
119.04945	13.5
121.02838	4.1
123.00794	1.6
123.04425	1.7
125.02369	21.7
131.03316	0.9
133.02852	3.2
134.03658	19.2
135.00795	1.2
135.04482	7.2
137.02327	4.2
137.06053	1.3
145.02841	3.3
147.04417	1.8
148.55925	1.0
149.02348	3.9
149.05984	2.8
150.03133	2.0
151.00311	25.8
151.03917	3.6
152.01089	93.9
153.01746	7.2
159.02827	1.5
159.04305	0.9
160.01616	6.6
161.02344	4.7
161.04466	2.8
162.02841	1.0
163.03955	5.7
164.04698	5.4
165.01852	2.3
165.05525	1.2
167.03473	1.8
169.01329	1.2
175.00209	1.7
175.03952	5.3
177.01865	3.5
178.02663	1.6
179.05594	1.4
179.07089	2.8
187.02242	0.9
187.03851	1.9
187.11256	1.1
193.05028	24.2
205.05038	1.3
207.02895	1.2
207.10223	1.3
223.06161	7.0
227.07115	1.0
229.08781	1.3
230.50429	1.0
235.06004	1.1
253.05144	1.3
269.04703	4.9
271.06155	15.3
283.06131	2.5
285.04227	1.4
295.06058	2.4
313.07248	6.8
315.07346	1.4
316.12350	1.1
335.05585	1.8
337.09378	2.5
339.07639	1.3
339.34039	1.0
342.58261	1.0
355.15356	1.2
373.16794	1.5
425.08624	2.9
429.10312	3.2
431.17352	1.5
447.11200	3.2
471.11374	2.1
481.35471	1.4
489.12469	2.4
517.16937	1.6
545.13190	2.8
557.12836	1.9
559.16412	1.8
579.17450	5.8
589.26569	2.2
635.21674	4.4
635.33252	2.6
636.20453	1.1
661.21136	3.4
679.22443	100.0
679.34790	4.2
680.22589	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36522	0.4
55.16797	0.3
57.03321	0.5
59.01265	1.2
60.78038	0.4
61.98716	0.4
63.13288	0.4
65.00208	2.0
71.01273	1.3
71.92055	0.4
72.99203	0.7
73.02824	0.5
78.95801	2.2
79.95649	2.7
80.89074	0.3
81.03335	0.4
83.01268	1.8
83.02403	0.7
84.21346	0.4
85.02870	0.4
87.00777	0.5
89.02338	0.6
93.03369	1.7
96.00797	0.9
96.95914	100.0
96.96796	4.1
97.00339	0.7
97.03940	0.5
97.63055	0.3
97.73393	0.3
97.95856	2.3
97.96408	0.6
98.02380	12.6
98.03497	1.7
98.20551	0.9
98.95495	6.9
98.96313	1.2
99.00807	4.1
99.01900	8.4
99.04429	0.4
101.02351	1.5
107.01306	4.0
113.02390	0.8
119.04954	7.4
120.05392	0.3
123.04446	0.6
125.02384	1.7
135.04482	0.5
145.02878	0.8
151.00313	21.0
152.00861	0.4
153.01950	0.4
161.02380	0.8
161.05826	0.5
164.01190	0.4
165.01906	1.1
167.03391	0.9
176.04839	0.4
177.01855	2.3
179.03490	1.2
187.03893	0.5
189.01735	0.4
191.03334	0.5
193.01448	0.8
194.05843	1.0
209.08194	1.1
222.49446	0.3
227.07121	0.9
229.21190	0.3
235.02467	0.5
237.06302	0.4
268.07129	0.4
269.04654	0.6
271.06168	14.8
272.06470	1.1
309.04260	0.5
313.07230	0.9
339.07593	0.5
351.37274	0.4
359.28442	0.4
394.76599	0.4
413.49594	0.4
429.08475	0.4
459.11530	2.1
515.12311	0.9
579.17310	31.1
580.17786	4.6
587.18701	0.4
588.18207	1.6
628.07941	0.4
657.64142	0.5
660.20703	0.4
677.37903	0.5
678.20825	2.4
679.21985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
58.02856	0.3
59.01266	2.1
61.98714	0.3
65.70290	0.1
69.03369	0.2
71.01276	1.6
72.04470	0.1
72.99194	0.4
73.02832	0.5
75.00768	0.2
80.04961	0.2
81.03351	7.6
82.03671	0.2
83.01260	0.6
83.04917	17.8
84.05264	0.4
85.02832	0.6
87.00778	0.3
89.02329	0.8
95.01269	0.3
96.95919	2.8
98.20652	0.3
99.00793	0.3
100.07600	0.3
101.02340	1.2
107.06056	0.3
108.02074	0.8
108.04446	0.6
109.02883	0.3
111.00845	0.2
113.02374	0.9
115.00174	0.1
117.03354	0.2
119.03435	0.3
119.04935	0.5
123.04448	0.2
125.02388	0.4
125.07120	1.1
126.05521	0.5
127.03865	0.2
133.02837	0.1
135.04491	0.2
137.02385	0.3
143.08243	0.6
151.00372	0.2
151.03920	0.2
152.01114	1.1
153.01910	0.3
157.13457	0.2
161.04547	0.6
173.02408	0.1
179.05644	0.1
181.04970	0.2
195.06500	0.1
207.14987	1.6
208.15511	0.1
221.10309	0.2
222.16185	0.2
223.16458	0.2
224.17715	2.8
225.16090	13.8
226.16443	0.9
230.37405	0.2
237.09808	0.4
242.18703	0.6
250.15572	0.3
268.16638	0.2
269.04639	0.3
283.06369	0.1
289.09329	0.3
290.22565	0.3
291.21002	0.1
305.05594	0.1
305.08890	0.8
306.05109	0.2
309.21896	0.9
315.07370	0.7
323.05618	0.2
324.26840	0.7
333.23035	0.9
335.05554	0.6
339.27756	0.2
341.29285	1.0
351.24283	0.3
367.27319	1.1
385.28235	0.3
407.34061	0.2
415.96429	0.1
424.11478	0.2
425.08328	0.2
433.31873	1.3
439.19922	0.7
447.11337	0.4
450.34634	1.5
451.33032	6.5
452.33371	0.8
455.09921	1.2
455.19037	0.2
476.32574	0.1
535.38464	0.2
545.13086	0.4
550.43634	0.8
553.83990	0.1
557.16632	0.2
559.40057	0.5
560.39667	0.2
565.44830	0.3
575.14288	0.9
587.17639	0.6
588.18396	0.2
593.43530	0.6
641.21295	0.1
659.38586	0.2
659.48688	1.6
660.49213	0.4
677.49829	100.0
678.20978	0.4
678.50153	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.3
58.02856	0.3
59.01266	2.1
61.98714	0.3
65.70290	0.1
69.03369	0.2
71.01276	1.6
72.04470	0.1
72.99194	0.4
73.02832	0.5
75.00768	0.2
80.04961	0.2
81.03351	7.6
82.03671	0.2
83.01260	0.6
83.04917	17.8
84.05264	0.4
85.02832	0.6
87.00778	0.3
89.02329	0.8
95.01269	0.3
96.95919	2.8
98.20652	0.3
99.00793	0.3
100.07600	0.3
101.02340	1.2
107.06056	0.3
108.02074	0.8
108.04446	0.6
109.02883	0.3
111.00845	0.2
113.02374	0.9
115.00174	0.1
117.03354	0.2
119.03435	0.3
119.04935	0.5
123.04448	0.2
125.02388	0.4
125.07120	1.1
126.05521	0.5
127.03865	0.2
133.02837	0.1
135.04491	0.2
137.02385	0.3
143.08243	0.6
151.00372	0.2
151.03920	0.2
152.01114	1.1
153.01910	0.3
157.13457	0.2
161.04547	0.6
173.02408	0.1
179.05644	0.1
181.04970	0.2
195.06500	0.1
207.14987	1.6
208.15511	0.1
221.10309	0.2
222.16185	0.2
223.16458	0.2
224.17715	2.8
225.16090	13.8
226.16443	0.9
230.37405	0.2
237.09808	0.4
242.18703	0.6
250.15572	0.3
268.16638	0.2
269.04639	0.3
283.06369	0.1
289.09329	0.3
290.22565	0.3
291.21002	0.1
305.05594	0.1
305.08890	0.8
306.05109	0.2
309.21896	0.9
315.07370	0.7
323.05618	0.2
324.26840	0.7
333.23035	0.9
335.05554	0.6
339.27756	0.2
341.29285	1.0
351.24283	0.3
367.27319	1.1
385.28235	0.3
407.34061	0.2
415.96429	0.1
424.11478	0.2
425.08328	0.2
433.31873	1.3
439.19922	0.7
447.11337	0.4
450.34634	1.5
451.33032	6.5
452.33371	0.8
455.09921	1.2
455.19037	0.2
476.32574	0.1
535.38464	0.2
545.13086	0.4
550.43634	0.8
553.83990	0.1
557.16632	0.2
559.40057	0.5
560.39667	0.2
565.44830	0.3
575.14288	0.9
587.17639	0.6
588.18396	0.2
593.43530	0.6
641.21295	0.1
659.38586	0.2
659.48688	1.6
660.49213	0.4
677.49829	100.0
678.20978	0.4
678.50153	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.2
55.91891	0.2
57.03336	1.0
58.00479	2.0
59.01265	35.8
67.01775	0.4
68.99709	0.5
69.03344	1.6
71.01270	35.0
72.01614	0.4
72.75510	0.2
72.99191	2.8
73.02839	5.4
75.00761	1.0
78.95796	0.5
81.03350	1.5
83.01279	4.3
83.04926	0.2
85.02844	6.6
85.99974	0.3
87.00772	8.6
87.04411	0.4
89.02336	28.2
90.02686	0.4
91.03378	0.2
91.03910	0.8
93.03380	0.4
95.01274	2.4
95.04897	0.3
96.95908	0.6
97.02847	5.9
99.00787	2.3
99.04413	0.7
101.02345	27.4
102.02691	0.4
103.03888	0.4
106.87015	0.2
107.04945	0.2
109.02864	0.7
111.00805	0.6
111.04420	0.8
113.02360	13.3
113.63597	0.2
114.02687	0.3
115.03926	0.5
116.81662	0.2
119.03415	8.3
121.02843	0.7
123.00808	0.4
123.04444	0.3
124.01615	0.3
125.02367	11.4
126.02818	0.2
127.03952	0.5
129.01834	0.3
131.03429	1.4
133.05014	1.0
135.04413	0.3
139.00301	0.2
139.03951	1.0
141.01816	0.5
143.03436	5.0
149.04520	0.9
151.03999	0.2
152.99530	0.6
155.03455	0.2
161.04501	5.6
167.03442	1.0
169.05009	0.6
171.02962	0.4
179.05579	5.3
180.06013	0.2
185.04549	0.9
190.27695	0.2
199.06166	0.5
203.05562	0.5
210.04126	0.2
217.07173	0.8
219.05238	0.2
221.06703	1.9
235.08253	12.8
236.08534	0.4
245.06708	0.7
253.09355	3.0
261.22125	0.4
263.07672	1.2
277.09396	1.0
279.23346	100.0
280.23712	7.8
287.07803	2.9
293.24945	0.4
301.75433	0.2
304.08508	0.3
305.08829	3.5
323.09894	1.6
361.11514	0.4
363.61801	0.2
379.12665	0.8
397.13589	80.6
398.13937	6.1
405.96365	0.2
415.14664	31.4
416.15121	1.7
458.83865	0.2
475.45148	0.2
486.09271	0.3
595.28937	0.6
677.37946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.8
61.98708	1.0
65.03851	1.1
69.81578	2.5
69.81985	1.7
73.46840	0.9
78.95800	2.2
87.94714	0.7
91.05424	2.2
96.95897	0.9
98.20540	1.4
105.07005	2.9
107.04984	1.4
108.02104	0.7
109.02860	25.4
110.03181	0.9
121.02850	3.3
133.02885	1.0
135.04448	22.7
146.03606	0.9
147.04427	2.1
149.06026	33.8
150.06372	1.6
152.99435	0.8
159.04451	5.3
161.02397	5.7
163.03954	2.0
173.06033	26.6
174.06351	1.7
175.03984	2.5
175.07565	1.2
187.03931	7.3
188.04741	4.4
189.05501	2.4
191.07059	1.2
199.07549	2.5
200.04794	3.5
201.05559	41.3
202.05986	3.4
204.07928	1.1
205.08521	1.4
215.07376	0.8
221.67862	0.7
225.67589	0.6
226.06335	1.1
227.07129	8.5
228.07813	1.2
229.08707	2.1
231.10320	0.8
243.10390	1.0
253.05009	0.9
267.06622	0.9
270.05466	5.4
271.09750	2.5
276.52051	0.7
279.23312	1.1
283.06110	1.7
284.06998	3.9
284.88876	0.9
295.13617	0.7
296.06891	1.0
307.09988	0.8
319.09680	0.9
321.07800	1.2
321.11411	1.4
323.12964	1.1
324.09842	1.4
336.10098	11.8
337.10889	100.0
337.14288	5.3
338.11316	11.8
338.15094	1.0
339.12433	64.1
340.12833	6.0
353.13950	9.7
354.14523	1.4
405.17212	1.3
472.15265	1.6
541.22491	1.1
567.24347	0.9
608.20776	9.7
609.21106	2.1
640.19720	1.1
677.27771	19.3
678.28497	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	677.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95291	0.9
59.00994	1.5
59.01270	22.2
60.11488	0.8
60.77834	0.9
61.98718	3.0
63.03584	0.9
64.23242	0.9
64.64693	0.9
65.03863	5.6
65.70822	0.9
67.01776	2.3
70.74519	2.9
71.01263	1.4
78.12086	0.9
78.95786	1.3
91.05442	5.9
93.03373	1.8
95.01289	1.1
95.13966	0.9
96.95922	2.2
97.60043	0.9
101.02335	1.1
105.07001	3.4
107.04919	3.2
108.02100	2.1
109.02863	63.8
110.03130	2.0
113.02361	1.4
119.04951	2.1
121.02873	8.1
133.02876	3.0
134.03650	1.2
135.04449	42.3
136.04840	1.4
137.02254	0.9
147.04494	6.0
149.02383	1.1
149.06021	23.1
159.04483	3.1
160.01640	1.6
161.02394	10.7
161.04701	0.9
161.05983	2.0
162.03181	1.5
163.03986	1.8
173.02434	1.0
173.06010	7.5
174.03128	1.2
175.03993	5.5
175.07587	3.1
185.06169	1.4
187.04030	3.4
187.07680	1.6
188.04735	1.9
189.05499	3.4
189.09219	2.6
191.07109	11.3
197.06032	1.1
199.07645	4.0
200.04782	1.8
200.08421	1.2
201.05551	8.7
203.07152	2.0
213.05634	2.0
215.10757	3.5
217.08691	1.9
225.05591	2.7
226.06374	4.2
227.07141	3.2
229.08652	2.8
238.06288	1.1
239.07124	1.2
241.04990	2.3
250.06303	1.4
253.05066	2.7
255.06602	2.9
267.06732	3.1
268.07407	1.9
269.04755	1.6
269.08047	1.2
270.05417	17.5
271.09863	2.3
279.06726	1.1
281.08334	2.4
283.06180	6.2
284.06931	14.3
291.06729	3.7
295.13422	3.6
296.06955	2.0
297.07898	1.1
297.11221	1.6
303.06696	1.1
304.07599	1.9
305.08282	4.1
306.08667	1.1
307.09769	2.4
309.07724	2.7
309.11285	1.3
316.05884	1.0
321.11319	5.4
322.08386	1.2
323.09259	4.1
323.12970	2.4
324.10083	6.4
324.13412	1.5
325.10593	1.9
335.09375	2.3
336.10019	3.1
337.10852	16.6
337.14575	38.7
338.11389	4.9
338.14896	3.0
339.12436	100.0
340.12817	10.2
353.10049	1.1
405.17300	2.8
439.12308	1.1
441.13977	1.8
455.35382	58.0
456.35916	3.4
457.13171	3.3
458.13748	6.9
459.14502	5.2
460.15143	2.1
471.14551	8.1
472.15378	3.6
473.15961	1.0
498.17041	3.0
515.20990	1.0
529.48322	1.1
567.23663	4.5
607.19843	10.8
608.20685	28.4
609.20923	4.9
617.40826	2.1
640.19751	1.5
659.25830	1.1
677.27618	42.7
678.27899	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	677.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
59.01264	3.1
59.53889	0.3
60.54465	0.2
61.98713	1.4
71.01270	2.3
72.99203	0.6
73.02830	0.6
78.95789	0.3
82.02866	0.5
83.01272	0.7
83.04940	0.3
85.02849	1.1
87.00765	0.4
89.02333	1.1
95.01302	0.5
96.95899	2.6
101.02351	1.7
108.02073	0.6
109.02850	0.4
111.00811	0.4
113.02355	1.3
119.04958	0.4
121.02858	0.7
123.04456	0.3
125.02377	1.2
131.01486	0.3
133.02892	0.7
134.03641	0.3
135.04434	1.1
137.02359	0.5
148.01602	0.3
149.02383	1.2
149.04492	0.3
151.00305	0.7
151.03964	0.3
152.01086	0.7
153.01851	0.3
159.30527	0.2
160.01576	0.3
161.02371	0.7
161.04543	0.7
164.04729	0.5
165.05412	0.4
167.03433	0.7
173.02423	0.2
175.00334	0.6
177.01859	0.4
179.05534	0.4
188.01091	2.6
189.01953	0.6
190.02737	0.4
193.05063	0.4
200.01125	1.0
201.01875	1.3
217.08762	0.3
219.06650	0.3
223.06155	1.3
225.05580	0.4
233.09447	0.2
237.09811	0.8
241.05005	0.4
242.05856	0.3
243.06743	0.7
253.05244	1.4
254.05753	0.3
261.11371	0.5
265.05109	0.6
267.03113	0.6
268.03882	0.4
269.04532	0.6
270.05304	0.5
271.06210	0.3
281.04614	0.7
283.06070	0.7
284.03314	0.5
285.04294	0.5
287.10266	0.3
295.06174	0.2
296.10910	0.3
297.04129	4.3
298.04816	2.5
305.08780	0.9
309.04108	34.8
310.04510	2.8
311.05731	0.6
323.05658	1.2
323.09140	0.4
325.11118	0.3
330.04001	2.2
335.05576	0.3
335.09204	0.5
337.07172	1.0
337.10840	0.5
338.07874	0.3
351.08856	1.4
352.09589	27.3
353.10358	100.0
354.10742	10.0
365.10297	0.4
366.11176	0.6
394.10562	0.8
395.11356	1.5
396.11789	0.4
407.11334	0.3
420.69485	0.2
424.11792	1.7
425.12271	0.7
439.19855	0.5
515.15686	67.9
516.16046	9.7
557.16864	0.7
587.17584	3.7
588.18207	0.9
617.19452	0.6
659.20300	0.6
677.20935	7.3
677.31989	0.8
678.20831	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	677.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03167	0.6
57.03412	2.0
59.01019	1.1
59.01343	10.6
61.98796	5.5
69.90959	0.8
71.00945	1.2
71.01361	11.4
71.52150	1.2
72.99287	2.3
73.02930	4.1
75.00471	0.7
75.00860	2.2
75.99386	0.6
78.95879	1.1
83.01386	2.6
83.04971	1.1
85.02949	5.4
87.00877	3.2
88.98798	0.6
89.02449	3.5
89.24739	0.6
93.03473	4.6
95.01395	1.2
96.96024	6.4
97.02936	1.3
99.00894	1.8
99.04499	1.3
101.02466	7.4
101.06110	5.0
107.01425	0.6
108.02161	1.4
109.02967	1.6
109.67747	0.7
113.02360	5.6
115.00317	0.7
116.92886	0.8
117.03375	18.8
119.03510	1.0
119.05031	1.2
121.02991	1.4
122.02399	34.4
123.01054	0.5
123.02853	1.4
123.04558	0.7
125.02380	4.9
131.07204	0.8
133.03000	0.8
134.03775	1.2
135.04570	2.9
137.02505	2.7
137.06134	2.3
140.15866	0.6
145.03047	1.8
147.04527	0.9
149.02490	2.1
149.06172	0.6
151.00447	2.3
152.01131	1.6
159.04601	0.7
161.02402	3.0
161.04633	2.1
161.06070	0.6
161.08147	3.8
163.04099	2.0
165.02052	1.0
165.05533	6.4
171.04710	0.8
173.02396	12.3
175.02589	1.7
175.03926	1.5
175.07722	0.8
177.01973	1.1
177.05753	1.2
179.03726	1.0
179.05663	1.2
183.16206	0.7
185.02547	2.4
187.03992	3.5
188.04556	0.6
189.01898	4.7
189.05710	0.7
197.02563	2.6
201.01920	0.7
203.03593	1.0
205.05168	1.0
213.02029	0.9
215.03537	6.2
217.01453	5.2
223.06209	1.5
227.07207	0.7
237.09781	1.4
241.01517	1.7
263.07349	1.3
269.04645	0.8
271.06342	1.8
279.06726	1.4
283.06232	1.0
285.04184	1.1
287.05969	1.0
289.09586	0.9
293.04712	3.2
293.10300	0.8
293.17670	7.9
294.05630	0.7
295.06180	0.8
297.07953	1.3
305.04730	6.1
305.08765	1.7
306.05319	6.6
307.06186	11.8
308.06644	1.1
309.04227	1.4
311.05780	2.1
317.04733	0.7
323.05722	4.6
324.06174	0.9
327.05304	0.8
335.05685	75.9
336.06042	8.3
338.04526	0.8
339.12704	0.7
351.05588	0.8
353.10318	2.9
365.06772	2.4
365.10703	1.0
366.11292	1.7
393.09998	0.8
394.10831	2.0
395.07596	1.5
395.12106	0.9
407.11703	1.5
424.11826	5.9
425.12488	2.5
439.19907	1.9
447.09756	1.4
455.09933	84.9
455.23096	6.3
456.10284	8.7
456.23602	0.8
557.16620	3.3
575.14191	100.0
576.14478	14.3
587.17786	15.5
588.17896	2.7
601.19525	0.8
609.80017	0.8
617.18616	1.8
633.31598	0.9
641.18744	1.0
658.39410	0.7
659.20142	1.8
676.39709	1.1
677.20795	21.9
677.36938	2.6
678.20782	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	677.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.5
61.98710	0.2
65.00237	0.1
71.01265	0.6
72.69269	0.1
72.99195	0.2
73.02824	0.2
75.00766	0.2
78.95797	2.0
79.95628	2.4
83.01282	0.3
83.02400	0.1
85.02834	0.2
86.27254	0.1
87.00770	0.1
89.02348	0.2
93.03335	0.2
94.97974	0.1
96.00811	0.2
96.95915	100.0
97.00331	0.3
97.02851	0.1
97.03973	0.2
97.95872	0.3
98.02375	0.6
98.03563	0.1
98.19740	0.2
99.00820	0.1
99.01881	0.1
99.04408	0.1
101.02335	0.5
101.45441	0.1
107.01335	0.2
113.02351	0.2
119.04949	0.6
125.02393	0.2
151.00307	1.1
151.07635	0.1
161.04489	0.1
163.03957	0.1
165.01970	0.2
177.01913	0.3
179.03458	0.1
193.74242	0.1
209.11710	0.1
210.12363	0.1
230.12126	0.1
237.05836	0.1
267.06714	0.1
269.04575	0.1
271.06247	1.0
289.09552	0.1
295.06146	0.2
296.06937	0.2
305.05261	0.1
325.07477	0.1
354.07669	0.2
368.09283	0.1
372.08618	0.3
405.31186	0.1
437.11447	0.1
459.12265	0.2
497.31595	0.1
517.13574	0.1
557.16376	0.2
579.17261	1.8
587.17810	1.1
587.71259	0.1
677.20673	1.3
677.38806	0.2
678.20050	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67262	0.6
55.01835	0.7
57.03188	0.8
57.03429	1.5
57.24206	0.6
59.01046	3.3
59.01381	10.6
61.62708	0.7
61.98480	1.9
61.98838	6.3
69.21424	1.6
69.21838	7.5
71.00970	2.4
71.01408	8.9
72.99315	1.6
73.02976	2.7
75.00874	1.2
83.01421	2.3
83.05042	0.8
85.03006	3.2
87.00941	2.2
88.98866	3.1
89.01900	1.6
89.02502	4.8
93.03484	1.4
95.01400	0.9
96.96085	9.8
97.03001	0.8
99.00900	1.5
99.04561	1.3
101.02522	5.4
107.05091	1.0
108.02250	1.1
109.02996	1.6
111.00964	1.0
111.04589	1.3
113.02539	3.8
114.93468	0.9
116.92889	1.1
117.03621	0.7
119.03539	1.8
119.05143	3.1
121.03049	1.7
123.04626	1.3
125.02557	3.0
128.03622	1.3
131.07187	0.8
134.03735	0.9
135.04640	2.6
135.05748	0.6
137.02545	1.3
137.06128	1.2
139.07761	0.7
143.03612	1.1
145.02971	0.9
148.01778	1.8
149.02562	1.4
149.06198	0.8
150.03297	1.6
151.00487	1.9
151.04143	1.3
152.01172	1.4
160.04234	2.3
161.04678	2.4
163.04099	1.2
163.07658	0.7
164.54575	0.6
165.05641	1.3
166.05208	1.2
171.10251	0.7
175.00493	0.7
175.04156	1.3
179.03529	0.8
179.05806	1.5
184.34882	0.7
187.04407	0.6
193.05197	0.9
195.06880	0.7
201.02116	1.8
213.02222	2.2
213.05811	1.0
215.03693	1.6
225.05809	1.0
227.03354	1.0
233.08746	0.8
239.07382	1.0
243.06998	0.8
256.07803	1.2
257.08545	1.0
257.95816	0.6
267.07080	0.8
268.03897	0.7
269.04816	1.5
271.06445	2.2
277.12769	0.7
281.04709	1.3
285.04477	0.7
293.05087	1.0
294.05508	1.0
295.06406	1.0
296.03638	1.3
297.04349	1.6
297.08197	0.7
298.05276	0.7
305.08557	1.0
307.06390	0.9
309.04391	1.9
310.05038	1.5
311.05591	6.0
313.07391	0.7
321.11615	1.6
322.04816	1.3
323.05667	28.5
324.06308	2.5
325.07419	0.9
325.11252	1.0
333.07883	1.2
335.06097	2.2
339.05612	0.8
351.05231	1.6
351.09009	1.6
352.09717	1.6
353.06519	1.4
353.10403	7.9
363.05316	1.6
364.09808	1.3
365.10480	4.6
366.11115	11.8
367.11978	2.8
369.06137	1.0
377.10565	2.2
378.11270	1.4
379.12259	2.2
381.06387	2.2
393.10220	2.7
394.10562	10.2
394.14636	0.8
395.11438	7.7
396.12347	1.7
398.10312	2.4
405.09811	1.3
406.10501	4.5
407.11377	7.4
408.12143	1.5
424.11758	56.9
425.12363	14.1
426.12671	0.9
436.11765	4.7
437.12637	1.5
438.13495	0.9
478.32690	2.3
479.33688	1.4
515.15649	1.6
557.16620	12.1
558.17004	1.5
569.16876	1.2
587.17834	100.0
588.18127	12.9
599.17828	2.6
601.19299	3.0
616.34924	0.9
617.18976	7.3
617.34894	3.4
618.18726	1.6
632.37488	2.8
633.37866	2.4
641.19305	4.1
647.19739	0.9
659.19891	7.1
676.39398	3.1
677.20959	48.3
677.39685	3.8
678.21368	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	675.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01601	0.8
61.98744	0.9
69.31311	1.3
69.31750	2.1
98.19798	0.5
233.86516	0.3
291.20120	0.4
309.20963	0.5
463.59973	0.4
485.39493	0.4
629.79584	0.4
690.21741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95185	0.3
54.59880	0.2
54.93631	0.3
55.01777	1.5
57.03333	1.4
58.00475	2.6
59.01262	42.5
60.01610	0.5
61.98706	1.1
68.99698	0.7
69.03346	2.5
71.01266	42.0
71.52023	0.4
72.01612	0.9
72.99194	3.8
73.02831	6.9
75.00758	0.9
78.95786	1.1
81.03337	1.4
83.01270	5.0
83.04914	0.6
85.02837	9.3
85.99975	0.6
87.00768	10.8
87.04382	0.3
89.02332	34.4
90.02687	0.5
91.03899	1.0
91.31968	0.3
93.03371	0.5
95.01273	2.8
95.04909	0.3
97.02254	0.5
97.02850	6.4
98.19849	0.2
99.00155	0.4
99.00771	2.7
99.04442	0.5
101.02339	35.3
102.02679	0.8
103.00264	0.4
103.03881	0.6
109.02853	1.1
109.06506	0.3
111.00774	0.9
111.04430	1.2
112.01572	0.4
113.02349	15.9
114.02662	0.3
115.03938	0.8
119.03410	10.5
119.04266	0.5
121.02845	0.9
121.03695	0.2
123.00780	0.4
123.04482	0.6
124.01588	0.5
125.02364	14.6
126.02674	0.4
127.03926	0.4
131.03441	1.8
133.05005	1.5
135.04454	0.3
137.02310	0.4
139.03922	1.5
141.01865	0.7
143.03418	6.3
147.39578	0.3
149.02374	0.3
149.04497	1.0
152.99525	0.7
157.05037	0.4
161.03218	0.5
161.04491	7.7
163.04019	0.3
167.03403	1.2
169.04980	0.6
171.03008	0.5
179.05557	6.3
185.04539	0.6
199.06078	0.6
203.05502	0.6
209.11873	0.3
217.07121	1.0
219.05133	0.4
221.06706	3.2
235.08232	15.7
236.08600	0.8
245.06660	0.9
253.09331	4.2
259.08340	0.4
259.20651	0.6
263.07693	1.7
277.09338	0.9
277.21762	100.0
278.22095	8.8
287.07745	3.6
288.08276	0.3
291.23294	0.5
305.08798	4.3
311.50424	0.3
323.09842	2.3
335.09390	0.7
337.11050	0.5
337.74652	0.3
361.11707	0.6
379.12390	1.1
397.13562	96.6
398.13928	7.1
398.18683	0.2
415.14633	38.7
416.15009	2.2
495.29160	0.3
544.72913	0.3
593.26678	0.3
657.22339	0.3
675.23016	0.8
675.35602	0.6
698.88953	0.3
703.69916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.5
57.03330	1.3
58.00482	2.6
59.01262	49.0
59.88873	0.2
60.01602	0.4
63.30520	0.2
67.01783	0.2
68.99698	0.4
69.03344	2.7
71.01266	42.2
72.01599	0.4
72.99195	3.0
73.02833	6.9
75.00759	0.9
81.03349	1.7
83.01276	4.6
83.04908	0.4
85.02842	8.7
85.99986	0.3
86.03180	0.3
87.00769	10.3
87.04416	0.3
89.02334	33.8
89.78533	0.1
90.02661	0.4
91.03920	0.8
93.03356	0.4
95.01284	3.1
95.04909	0.3
97.02850	6.7
98.20545	0.4
99.00779	2.4
99.04414	0.5
101.02342	33.5
102.02675	0.6
103.00269	0.4
103.03911	0.4
107.04945	0.2
109.02888	0.9
111.00798	0.7
111.04416	1.4
113.02353	16.1
114.02688	0.4
115.03922	0.9
119.03413	10.6
120.03764	0.2
121.02905	0.6
123.00799	0.3
123.04446	0.5
124.01570	0.4
125.02364	14.1
126.02674	0.3
127.03909	0.5
127.07579	0.3
129.01837	0.4
131.03429	1.8
133.04999	1.2
135.04459	0.2
137.02400	0.4
139.00339	0.2
139.03941	1.1
141.01833	0.8
142.02637	0.3
143.03432	6.6
144.03746	0.3
145.05081	0.2
149.02417	0.3
149.04506	1.1
151.03979	0.2
157.05011	0.2
161.04500	7.5
162.04851	0.2
163.03992	0.2
167.03407	0.9
169.05028	0.6
171.02916	0.4
179.05574	7.0
181.04906	0.2
185.04517	0.7
199.06107	0.6
203.05583	0.6
205.19594	0.2
217.07170	1.2
219.05115	0.4
221.06651	2.8
229.12711	0.2
233.22749	0.3
235.08240	16.3
236.08572	0.6
245.06721	1.2
253.09282	3.8
254.09679	0.2
255.08662	0.1
259.08264	0.2
259.20706	0.5
263.07767	1.9
269.06662	0.2
275.20248	0.5
277.09790	1.0
277.21762	100.0
278.22107	7.6
287.07770	3.9
288.08353	0.2
291.23419	0.4
305.08801	4.7
306.09180	0.2
319.10086	0.2
319.22815	0.2
323.09879	2.2
361.11429	0.8
379.12573	1.2
397.13562	97.1
398.13879	6.9
415.14636	39.8
416.14954	2.8
662.62354	0.2
675.36102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.7
58.00470	1.1
59.01263	8.8
60.29296	0.4
61.98716	1.0
65.00195	0.7
71.01266	9.3
71.59648	0.7
72.99191	4.0
73.02837	3.9
75.00749	1.0
77.21084	0.5
78.95785	1.7
79.95599	0.6
80.81750	0.4
83.01279	4.0
83.04881	0.5
85.02853	3.8
87.00774	4.3
87.04407	0.8
89.02339	4.3
93.03365	1.0
96.95913	19.3
97.02833	0.8
98.02326	0.7
99.00778	15.2
99.04427	0.6
100.01581	3.1
101.02348	6.4
103.03910	2.4
108.02083	1.4
109.02850	1.3
111.00016	0.3
111.00784	9.2
111.04457	0.8
113.02353	1.9
113.99501	37.9
115.00303	10.2
115.03921	1.1
119.03432	1.3
119.04935	1.5
121.02871	0.7
123.04449	0.7
125.02351	3.1
128.01041	3.4
129.01843	1.1
129.72838	0.5
131.03444	1.7
135.04431	1.1
137.02371	1.0
139.00293	0.9
143.03423	2.9
145.05049	0.7
149.02408	2.6
151.00316	1.0
152.01083	1.6
153.01904	1.4
156.00587	49.2
157.01300	2.7
161.02350	0.5
161.04442	0.8
163.03925	1.8
163.06050	5.8
164.04732	1.8
165.05522	0.6
167.03456	0.8
169.09924	0.6
174.01651	100.0
175.02380	6.4
179.05539	0.6
179.07108	0.7
195.06554	0.4
205.07191	3.7
221.98541	0.5
223.06116	3.7
249.14900	1.0
269.04514	1.5
280.06760	0.5
285.03909	0.6
320.06680	0.6
328.98047	0.5
409.09158	0.6
451.32648	0.9
501.39630	0.6
513.20026	0.7
557.26135	3.7
575.27161	14.2
576.27289	2.3
615.26776	19.3
616.27002	3.1
627.27466	0.6
639.26788	1.1
657.18292	0.7
657.28119	2.1
675.20947	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87543	0.7
55.01765	1.8
57.03344	1.9
58.00478	1.3
59.01265	100.0
60.01596	2.2
61.98725	5.5
66.92228	0.7
68.99705	1.8
69.03357	1.8
71.01269	46.5
71.51868	0.8
71.52275	1.0
72.01625	1.0
72.99202	2.9
73.02835	43.2
75.00758	3.2
78.95779	0.7
81.03362	2.1
83.01280	14.9
83.04926	2.5
85.02846	7.9
87.00774	4.7
89.02331	8.3
93.03375	1.3
95.01271	1.5
96.95925	4.2
97.02865	1.5
99.00784	3.5
99.04421	2.0
101.02342	36.2
102.02626	1.0
108.02094	1.2
109.02868	2.1
109.06522	1.3
111.00803	0.9
113.02362	10.4
116.92771	5.5
117.01902	1.0
117.03362	0.8
119.03452	3.2
119.04919	1.6
121.02841	1.6
123.04388	1.0
124.01631	0.9
125.02374	10.4
131.03467	2.4
133.02971	1.7
134.03674	4.7
135.04497	2.5
137.02373	2.3
137.05943	0.7
139.03951	0.7
143.03470	4.6
145.02927	2.2
148.01582	1.0
148.05246	0.7
149.02417	1.5
149.04539	2.3
149.06094	1.0
151.00334	2.0
151.03995	1.4
151.07581	1.8
153.01927	0.9
160.01709	0.8
161.02419	1.2
161.04472	4.9
163.03986	0.9
163.07587	0.8
163.11307	0.8
165.05605	0.9
166.13168	1.1
168.00679	1.9
175.03946	1.1
177.01944	1.2
179.05580	1.0
183.13689	0.7
191.03429	3.7
193.05069	4.5
203.07292	0.8
208.96265	0.8
209.11816	25.1
210.12144	15.7
210.13962	1.0
211.12434	1.9
227.12895	3.5
228.13293	1.5
229.13695	0.9
237.09842	1.0
253.09262	1.4
254.09790	1.0
255.65501	0.8
261.11328	1.1
267.06631	1.2
279.06851	1.2
284.03363	1.0
289.09396	1.0
295.06268	3.4
296.06747	1.1
308.06708	0.8
312.06519	0.8
323.05841	3.2
324.06464	6.9
337.07251	3.2
339.08817	8.8
339.12500	1.2
340.09241	1.4
344.09549	0.8
350.11633	1.2
351.12460	1.5
352.12424	1.4
366.07263	1.0
379.11816	1.2
381.13507	1.0
382.14255	1.2
383.14053	1.2
391.12375	0.8
393.10489	0.7
394.10629	14.0
395.11377	1.9
409.12994	48.5
410.13464	5.2
425.12451	1.6
426.12921	3.3
427.13086	5.7
437.12491	0.7
497.25803	5.8
497.76144	6.1
498.26431	2.0
585.20404	3.1
587.34320	1.1
589.19409	5.2
590.19922	1.0
613.39899	0.9
615.20917	0.8
630.39539	6.8
631.20416	57.7
631.40338	4.7
632.20599	8.7
632.29126	0.9
643.25232	1.0
674.39178	5.6
674.83014	3.7
675.24323	3.9
675.40063	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	675.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88478	0.3
57.03299	0.5
59.01196	5.4
59.01526	0.8
61.98648	1.9
65.00171	0.3
71.01266	4.0
71.56281	0.4
71.56675	0.4
72.99136	0.5
73.02766	0.9
77.03841	0.3
79.95564	0.3
83.01205	1.2
85.02831	1.8
87.00681	1.0
89.02342	2.3
93.03284	0.4
95.01210	0.5
96.95910	8.7
96.96537	0.5
96.96803	0.6
97.06461	0.3
99.00714	0.5
99.04338	0.5
101.02346	2.7
108.02013	0.3
109.02781	1.2
111.00690	0.4
111.04361	0.4
113.02342	1.8
119.03342	0.9
119.04889	0.6
119.46505	0.3
121.02824	0.8
123.04362	0.7
125.02359	3.5
131.03389	0.3
132.02045	0.3
133.02821	0.6
135.04347	1.3
136.05145	0.4
137.02354	1.7
137.05930	0.7
143.03375	0.4
147.04366	0.6
148.01572	2.2
149.02298	0.8
149.37874	0.3
151.00212	0.9
151.03897	0.5
151.07497	1.1
152.01100	0.7
153.01765	0.6
153.05472	0.3
160.03946	0.5
161.02280	0.7
161.04410	0.4
163.03893	0.6
164.01215	0.3
164.04659	0.3
165.05450	0.9
167.03366	0.8
171.10181	0.4
174.03049	0.5
175.03865	0.5
177.01830	0.5
179.03316	0.4
179.05522	0.5
179.06978	0.4
190.02588	0.4
191.03387	0.5
201.01920	0.3
202.02599	1.1
203.03487	0.5
204.04178	0.7
205.05013	0.3
209.11821	0.5
211.13318	0.5
213.01573	0.3
214.02692	0.4
225.05478	0.6
237.05582	0.5
239.03531	0.4
239.07034	1.2
241.04938	0.3
251.06995	0.5
253.05014	0.9
254.05727	0.5
255.06551	1.3
265.04944	0.7
266.05862	0.6
267.06604	1.5
268.03491	0.3
268.07422	0.7
269.04514	2.1
269.08063	0.4
270.05246	0.4
279.06662	0.6
280.07535	0.5
281.04575	1.2
282.05261	0.7
283.02820	0.6
283.06143	3.4
284.03494	0.3
284.06805	0.9
285.04123	0.5
285.07565	0.7
293.04660	0.4
294.05307	0.9
295.02921	0.6
295.06122	3.7
296.03476	0.7
296.06818	1.3
297.04059	1.0
297.07703	2.3
299.05688	1.7
308.07071	0.4
309.04126	1.1
309.07547	0.6
310.04813	0.9
311.05768	2.1
312.06415	3.0
313.07230	5.5
315.12546	0.4
323.05511	1.6
324.06512	1.6
325.07132	1.1
326.07819	0.7
327.05173	1.6
327.08548	0.4
337.07135	1.0
339.08749	1.3
340.05872	1.0
341.06696	3.7
342.07370	1.9
344.05447	0.5
348.10147	1.1
353.10571	0.4
355.08112	1.7
356.08972	0.7
357.09827	0.4
363.08868	0.4
365.10330	0.4
367.08081	2.9
367.12149	0.4
368.08551	0.4
369.09689	0.4
372.04694	0.5
376.09509	1.2
377.10376	1.0
379.12128	0.4
381.09738	0.7
382.10620	1.0
383.11487	1.0
394.10794	1.6
396.12134	0.7
397.12540	0.4
409.13196	0.5
411.10910	1.4
412.11707	38.5
413.12085	5.2
427.14038	100.0
428.14417	12.9
428.20328	0.4
434.04041	0.3
451.17828	0.7
453.15152	0.4
469.18860	2.7
477.32501	1.6
481.18854	0.5
483.20392	0.9
495.20023	0.6
495.33286	0.7
497.18225	3.4
498.18958	0.5
511.20059	2.6
512.20282	1.8
513.21277	1.6
539.16046	2.8
540.15991	0.6
613.38953	0.3
615.21552	1.5
630.39642	0.5
631.20862	1.2
631.38818	1.1
657.38037	0.5
674.39081	0.7
675.26794	23.7
675.38129	2.4
676.27020	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	675.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68511	0.1
59.01263	0.3
64.26891	0.1
64.89149	0.1
69.33786	0.1
71.01262	0.3
71.51674	0.1
73.02834	0.1
78.95789	0.1
79.95628	2.7
80.43452	0.1
83.01262	0.2
87.00788	0.2
89.02365	0.1
93.03355	0.2
96.95913	100.0
97.95847	0.3
101.02369	0.2
105.84312	0.1
108.02036	0.2
108.14811	0.1
109.02872	0.2
113.02412	0.1
115.42982	0.1
117.03469	0.1
125.02356	0.2
133.11984	0.1
137.02365	0.2
143.03600	0.1
149.02301	0.1
152.01102	0.2
153.01923	0.1
167.03493	0.1
175.00264	0.2
177.01872	0.1
192.00632	0.1
193.01488	0.1
218.51201	0.1
293.04605	1.2
293.19403	0.1
294.04852	0.1
304.46274	0.1
311.05783	0.2
323.05780	0.1
383.72852	0.1
413.08963	0.3
433.12503	0.1
577.15601	1.1
578.16364	0.2
675.19531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03144	0.3
57.03390	1.0
58.00534	0.5
59.01001	0.6
59.01326	7.8
61.98781	1.2
71.01345	5.5
71.04961	0.3
71.51614	0.3
72.99284	1.0
73.02923	1.3
75.00793	0.3
83.01366	0.8
83.04975	0.5
85.02934	1.6
87.00867	1.2
89.02347	3.6
93.03430	0.5
93.10155	0.2
94.53755	0.2
95.01366	0.4
95.04993	0.3
96.96007	0.9
97.02908	0.4
99.00823	0.6
99.04514	0.7
101.02354	3.4
108.02149	0.3
109.02953	0.6
109.06549	0.3
111.00888	0.6
111.04529	0.8
113.02356	2.1
119.03516	1.1
119.05057	0.7
121.02875	3.0
122.03728	0.3
123.00854	0.3
123.04500	0.7
125.02367	1.7
127.04041	0.2
133.02950	0.5
134.03773	0.6
135.04555	0.9
135.68230	0.2
136.05309	0.4
137.02376	1.3
137.06061	1.4
139.04045	0.4
143.03560	0.5
145.03000	0.5
147.00926	0.3
147.04572	0.3
148.01605	1.9
149.02463	0.7
149.06102	0.4
150.03185	0.3
151.00401	0.3
151.04088	0.8
151.07686	0.6
152.01164	0.4
153.01981	0.3
153.05533	0.3
161.02365	0.3
161.04622	0.9
161.06018	0.3
163.04030	0.7
163.07677	0.3
164.04805	0.4
165.05536	2.0
175.04074	0.3
177.02013	0.4
178.06383	0.3
179.05667	1.0
179.07249	0.7
179.10866	0.3
181.05118	0.5
190.02823	0.3
191.03601	0.7
193.05128	0.3
193.08887	0.2
199.07693	0.3
202.02745	0.4
203.03650	0.3
203.07237	0.3
204.04237	0.2
207.03111	0.8
209.11967	0.7
213.05708	0.3
215.58316	0.2
217.08847	0.3
225.05670	0.3
233.04660	0.3
234.05412	0.3
237.05804	0.3
239.07259	0.9
241.04939	0.3
251.07349	0.4
253.05260	0.5
254.05998	0.4
255.06708	0.5
263.09561	0.4
265.05069	0.3
266.05957	0.6
267.06763	1.1
268.04019	0.3
268.07373	0.3
269.04669	1.4
269.07806	0.2
271.06284	0.3
278.06265	0.3
279.06662	0.6
281.04590	1.4
282.05576	0.7
283.06125	2.4
283.10892	0.5
284.06775	0.4
285.07755	0.4
293.04712	0.4
294.05322	0.3
295.06165	3.7
295.09189	0.4
296.03918	0.4
296.07089	1.1
297.04486	0.5
297.07727	2.3
299.05640	4.7
308.07019	0.7
309.04230	1.2
309.07968	0.6
310.04681	0.3
311.05682	1.6
312.06522	1.8
313.07217	7.3
314.07809	0.7
323.05652	1.9
324.06464	1.1
325.07022	1.5
326.07809	0.5
327.05231	5.6
327.08945	0.7
328.05615	0.3
330.18805	0.3
337.07379	0.7
339.08987	0.7
340.05893	2.5
341.06741	5.5
342.07465	2.2
354.06631	0.3
355.08289	3.5
355.12207	0.3
356.08868	1.2
357.09879	0.6
365.10370	0.7
367.07971	1.4
368.08768	1.3
369.09427	1.7
372.04865	1.1
383.11386	2.6
394.10693	0.9
396.12198	0.5
397.12955	1.0
407.11389	0.3
411.11148	0.9
412.11740	37.3
413.12137	4.3
425.12747	0.4
427.14059	100.0
428.14420	11.1
442.11768	0.3
469.15359	0.3
477.32385	2.9
495.33453	0.6
512.33368	0.7
531.14331	0.4
559.18213	2.0
589.18726	0.3
594.29822	0.5
594.80524	0.3
613.35651	1.3
615.34021	0.9
630.39374	1.0
631.21185	1.6
631.37164	3.9
639.37830	0.5
657.25739	0.4
657.37787	0.3
674.38428	1.3
675.22101	1.6
675.40051	4.7
676.32617	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	673.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43340	0.1
55.01754	0.4
55.29757	0.1
57.03345	0.6
58.00485	0.1
59.01266	4.7
61.98713	0.9
68.99699	0.1
69.03338	0.2
69.28570	1.1
71.01273	3.8
72.99195	0.3
73.02824	0.9
75.00771	0.2
80.02567	1.1
81.03357	1.1
83.01286	1.0
83.04918	4.4
84.02047	0.8
84.05237	0.2
85.02846	1.4
87.00773	0.8
88.98729	0.1
89.02345	1.9
93.03353	0.4
95.01285	0.4
95.04905	0.8
96.95899	0.3
97.02837	0.2
97.06493	0.3
98.38235	0.1
99.00787	0.4
99.04441	0.2
101.02350	3.1
107.04948	0.3
109.02855	0.3
109.06502	1.5
111.00775	0.2
111.08079	0.2
111.84942	0.1
113.02354	1.7
119.03409	0.5
119.04947	0.2
121.02859	0.4
121.11681	0.1
123.04501	0.2
123.08095	0.2
125.02350	0.9
125.06013	0.6
125.09644	0.3
127.03967	0.1
129.63885	0.1
130.54907	0.1
131.03445	0.2
134.03664	0.2
135.04457	0.6
135.08095	0.8
136.05234	0.2
137.02357	0.3
137.06001	0.2
139.03912	0.1
143.03438	0.2
145.04991	0.2
147.11717	0.1
149.02347	0.2
149.06104	0.2
150.03175	0.1
151.00323	0.2
151.03969	0.2
151.07558	0.6
153.05502	0.5
158.92099	0.1
161.02397	0.2
161.04520	0.9
162.06810	0.1
163.11243	3.8
164.04744	0.2
165.05548	0.2
165.12799	2.2
171.10223	1.8
173.05969	0.2
173.09601	0.1
179.05588	0.4
181.12308	0.6
185.11859	0.2
191.10803	0.9
197.04509	0.8
199.13396	0.3
207.10274	0.2
209.11819	100.0
210.12149	5.3
211.13362	0.3
221.11787	0.2
227.12895	13.5
228.13261	0.9
229.14433	0.2
235.08218	1.4
247.13416	1.0
253.09319	5.7
254.09738	0.2
265.14523	0.3
335.09485	0.1
355.15665	0.2
375.21750	0.1
395.11472	0.2
401.23273	0.3
416.51266	0.1
445.20667	0.9
463.21954	0.2
467.33359	0.2
475.30392	0.1
492.23947	0.1
497.26236	0.2
501.94110	0.1
511.32825	0.2
557.16443	0.2
629.39331	2.9
630.39197	0.4
637.32416	0.6
655.33112	0.3
673.23688	1.2
673.38055	4.5
674.26074	0.2
674.38647	0.8
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
57.03346	1.1
57.75785	0.6
59.01265	10.1
61.98718	8.6
64.19418	0.7
64.64132	0.7
66.89862	0.6
69.63094	4.4
71.01267	7.6
73.02836	1.3
83.04954	0.7
85.02855	2.1
87.00766	2.5
89.02341	3.0
96.95927	1.0
99.00795	1.4
101.02332	4.8
107.83936	0.7
109.02893	0.8
111.08074	1.5
111.94139	0.6
113.02375	2.7
113.11502	0.7
119.03443	0.6
131.84233	0.7
135.04448	0.9
161.04489	1.1
165.12802	13.3
171.10173	0.9
180.07390	0.7
183.13872	100.0
184.14207	4.6
209.11798	4.2
211.13356	3.4
227.12949	7.0
235.08328	1.0
253.09380	2.7
336.04044	0.7
410.13718	3.5
425.16092	7.3
445.20767	1.2
463.21918	2.9
511.29166	7.4
629.35754	4.4
655.33368	3.5
673.25793	2.7
673.34552	64.8
674.24622	1.1
674.34906	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	673.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45776	1.0
55.01770	2.1
56.80418	1.1
57.03334	3.1
58.00471	2.2
59.01265	100.0
61.98718	9.9
69.03333	2.4
70.32716	1.2
71.01270	68.4
71.52037	1.1
72.01625	1.2
72.99185	3.2
73.02836	62.1
74.03180	1.3
75.00754	2.6
81.03331	1.5
83.01277	16.2
83.04925	2.2
85.02843	12.1
87.00774	7.0
89.02333	10.9
93.03339	1.2
95.01274	2.4
96.95956	1.2
97.02851	2.0
97.06505	1.0
99.00750	4.0
99.04426	5.1
101.02348	48.6
107.01346	1.4
107.04909	1.6
108.02094	2.3
109.02859	3.5
109.06506	2.3
111.00790	2.3
111.04456	2.1
113.02348	15.9
119.03415	2.8
119.04924	1.3
125.02364	18.6
125.06005	1.3
131.03423	3.5
133.02875	1.2
135.04488	1.7
137.02383	1.4
143.03427	1.5
145.02882	1.7
147.04465	1.4
148.01581	2.4
151.00323	4.1
151.04002	2.2
152.01073	1.6
153.01866	1.2
153.05470	3.4
155.03423	1.3
161.02422	2.0
161.04547	7.2
161.05771	1.7
164.04630	1.1
165.05614	1.4
175.03946	1.3
183.13855	4.1
187.02434	2.8
207.10341	1.9
209.11821	9.5
211.07756	1.6
217.08617	2.2
227.12964	2.0
235.09859	1.5
243.06656	3.6
253.05087	1.3
269.04608	1.8
271.06107	2.0
271.14957	1.1
276.85257	1.2
335.05499	1.2
347.09174	2.3
351.12378	1.5
365.10428	1.4
375.08704	1.4
376.09650	25.5
377.10202	2.8
391.11990	56.5
392.12393	7.8
394.10327	1.5
409.13016	3.4
409.58783	1.3
411.14523	3.1
421.14923	3.5
424.56897	1.5
425.16095	10.7
482.25150	1.6
553.17285	66.2
554.17535	11.5
571.18341	11.5
585.20032	10.4
586.20605	1.5
613.19403	84.1
614.19672	15.8
629.39288	12.6
673.23077	5.2
673.37848	29.1
674.38489	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	673.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85255	0.5
55.01772	0.7
55.92899	0.7
57.03330	1.0
59.01265	16.4
61.98689	1.0
69.21984	5.4
69.22401	1.2
71.01274	4.8
73.02833	1.3
81.43273	0.6
83.01275	0.8
85.02826	2.0
87.00770	1.8
89.02342	1.8
98.75445	0.6
99.00801	0.7
101.02348	3.2
107.04945	1.5
109.02831	0.9
109.06512	3.4
113.02335	1.9
116.60027	0.6
119.01306	1.2
121.02843	0.8
122.88392	0.6
125.02413	1.5
133.02895	1.1
136.88666	0.6
147.00838	1.6
147.18248	0.7
153.05525	1.5
162.03171	1.0
164.04730	0.8
164.80803	0.6
209.11861	1.0
215.07036	0.6
215.27676	0.5
217.08688	2.1
241.05119	0.7
261.07755	0.9
285.04166	0.8
289.08652	0.8
305.11948	0.6
306.08737	0.7
317.08313	0.9
319.09509	0.9
320.06738	0.6
327.08456	0.7
331.09625	0.7
335.05771	0.9
335.09299	3.4
337.11020	1.0
337.14752	0.6
347.09265	6.2
348.09912	0.9
349.07050	1.4
349.10846	2.5
350.07770	0.8
356.08948	0.7
359.09537	0.9
361.10883	2.3
363.08804	2.1
365.10394	15.0
366.10672	2.4
367.11646	0.7
375.08759	1.8
376.09546	0.7
377.10300	2.8
378.11066	1.9
379.11975	4.2
380.12363	1.0
389.10300	3.4
390.11053	1.7
393.09894	16.9
394.10629	6.1
395.11227	2.1
407.11362	8.9
408.12183	10.2
409.13013	16.4
410.13315	1.8
475.30789	3.0
495.16861	0.8
530.18701	0.7
532.53284	0.9
553.17505	1.5
557.16400	1.2
613.19366	100.0
614.19781	16.7
629.39111	6.3
672.36304	0.8
673.25244	9.7
673.38025	21.4
674.25336	1.7
674.38464	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	673.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03336	0.8
59.01262	7.4
59.70020	0.2
61.98719	1.9
66.08518	0.3
70.95545	0.6
71.01266	8.5
72.01653	0.3
72.99199	3.5
73.02826	1.2
75.00790	0.3
80.02569	0.7
81.03355	1.0
83.01286	1.1
83.04913	3.2
83.43539	0.3
84.02046	0.4
85.02837	2.2
87.00770	1.3
89.02330	2.0
93.03358	0.7
95.01303	0.6
95.04919	0.6
96.95876	0.3
97.06505	0.5
99.00788	0.9
101.02348	3.9
107.04914	0.9
108.02062	0.6
109.02854	1.3
109.06493	3.0
111.56469	0.3
113.02358	1.9
115.00266	1.5
117.50578	0.3
119.03417	0.7
119.04893	0.4
121.02893	0.8
123.04422	0.5
124.42222	0.3
125.02379	1.9
125.05990	0.6
133.02866	0.5
134.03717	0.3
135.04413	1.7
135.08070	0.5
136.05225	0.4
137.02341	0.7
139.03920	0.5
145.06503	0.3
149.02376	1.3
151.00310	0.7
151.03935	0.4
151.07564	1.3
152.01076	0.8
153.01701	0.3
153.05515	1.0
161.02388	0.5
161.04489	1.2
163.11232	2.6
165.05554	0.5
165.12743	1.7
167.03526	0.3
171.10194	1.1
175.04044	0.4
175.07523	0.3
177.01855	0.5
181.12317	0.6
185.09782	0.4
191.10835	0.4
203.03374	0.3
203.10699	0.4
209.11823	68.2
210.12048	1.7
211.07356	0.3
213.05431	0.4
213.09589	0.3
215.03473	0.8
217.08607	0.4
227.12889	8.9
235.08231	1.1
239.07214	0.9
241.05081	0.7
247.09689	1.4
247.13551	0.6
248.10191	0.3
253.09282	3.3
255.06645	1.1
256.07370	1.2
259.04648	0.4
267.06696	0.4
268.07523	0.7
269.08066	0.5
286.08316	0.4
300.83398	0.3
309.11737	0.4
310.04764	0.4
312.06415	0.5
319.09778	0.4
331.10059	0.3
333.11609	0.4
337.10904	1.0
347.09277	0.6
349.07254	0.4
349.10980	1.6
350.08060	1.0
352.09537	0.3
355.08463	0.5
355.15720	0.3
359.09491	0.6
365.10449	1.6
367.12057	2.0
375.08807	0.3
377.10422	3.6
378.10974	0.5
393.09894	0.3
394.10867	0.5
395.11417	100.0
396.11771	10.7
397.12158	0.4
445.20862	0.5
467.34207	0.5
493.18997	0.4
511.33188	0.4
557.16766	19.6
558.17249	2.8
613.19720	0.4
613.39301	0.9
629.39264	4.8
637.32367	0.6
655.17346	0.5
655.41083	0.4
672.39746	1.3
673.24976	3.3
673.38251	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	672.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52697	0.1
54.17236	0.1
56.57086	0.1
57.03336	0.2
58.48628	0.1
59.01262	1.1
61.98718	100.0
62.98443	0.1
65.12129	0.1
65.99722	0.1
66.21376	0.1
69.63098	0.6
71.01267	0.8
72.99202	0.3
73.02854	0.2
75.00755	0.1
80.56262	0.1
83.01286	0.4
85.02844	0.3
87.00809	0.1
88.98713	0.1
89.02346	0.3
89.03305	0.1
93.03400	0.2
96.95932	0.3
99.00790	0.1
99.04417	0.1
100.98790	0.1
101.02344	0.4
101.35208	0.1
103.96134	0.1
107.01292	0.1
108.02090	0.6
109.02901	0.3
113.02375	0.4
116.92797	0.1
119.04978	0.2
121.02935	0.1
123.04457	0.2
125.02385	0.8
127.70929	0.1
135.04465	0.2
136.05290	0.2
137.02400	0.3
143.03365	0.1
149.02440	0.2
150.99260	0.1
151.00288	0.6
152.01076	1.2
153.01718	0.3
153.05547	0.1
161.02452	0.2
161.04533	0.1
163.03996	0.1
165.01991	0.1
165.05566	0.1
165.09190	0.3
166.05014	0.2
167.03442	0.2
173.02370	0.1
175.02411	0.2
175.03969	0.2
177.02036	0.1
177.20618	0.1
193.05055	0.1
206.23286	0.1
223.06160	0.2
241.10495	0.1
269.04562	0.5
271.06055	0.2
285.04202	0.1
301.07303	0.2
315.07269	0.1
322.14246	0.1
511.32907	0.5
609.18378	0.3
672.22925	0.9
673.23334	0.1
673.37823	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	671.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.2
57.03331	9.3
59.01262	38.2
61.22121	0.9
61.98705	7.0
69.03358	2.2
71.01270	18.9
71.04919	0.9
72.99205	2.1
73.02830	6.3
80.02557	2.4
81.03351	2.8
83.01276	5.3
83.04908	9.6
84.02029	1.7
85.02835	7.2
87.00772	4.2
89.02338	7.2
93.03338	2.2
95.01262	2.3
95.04946	2.8
96.95931	2.6
97.02835	5.6
97.06489	1.6
99.00766	5.1
99.04398	3.3
101.02351	16.8
107.04952	2.3
108.02040	1.4
109.02866	2.2
109.06499	26.7
111.04414	3.3
113.02371	8.0
116.52888	0.9
119.03416	2.8
119.04958	1.4
121.02888	2.4
121.06480	3.6
123.04442	2.1
123.08028	2.1
125.02383	8.8
125.09647	3.8
126.03123	1.5
133.02844	2.0
134.03633	1.7
135.04425	3.3
135.08107	3.6
136.05246	5.0
137.02382	1.8
137.05981	1.6
139.07518	2.1
142.02660	2.1
143.03378	1.2
149.06006	4.8
151.00298	1.4
151.07581	1.5
152.01030	1.3
153.01875	1.9
161.02348	2.4
161.04509	2.5
161.09711	1.4
163.03951	1.2
163.07472	1.3
163.11246	18.5
164.04683	1.1
165.05423	2.1
165.09174	1.7
165.12813	2.5
167.07111	5.4
168.72078	1.1
171.10237	2.9
177.01913	1.5
179.10686	1.0
181.12277	5.5
185.11763	2.8
189.09200	1.7
191.10851	2.0
202.02690	1.4
207.10249	69.8
208.10588	3.5
209.11812	100.0
210.12151	3.9
225.11328	33.3
226.11681	3.1
227.12878	12.4
231.06593	4.2
231.10173	1.8
234.66200	1.0
235.08240	3.7
235.13364	1.5
235.47842	1.0
249.11319	1.2
253.05173	1.8
253.09303	10.1
263.12872	1.3
281.04453	1.5
283.05969	1.5
297.07770	1.1
310.04529	1.2
311.05789	1.2
324.06485	1.5
325.07068	4.9
350.07834	2.1
365.10400	22.0
366.10748	2.8
381.09717	2.1
394.10736	1.8
395.11353	3.9
399.21790	3.1
409.12888	8.6
417.22861	6.2
443.19226	3.2
449.32813	9.2
451.14111	1.6
461.20526	8.8
467.16919	2.4
509.30920	1.2
527.15839	3.8
569.16632	3.3
570.17126	1.5
611.38110	4.7
627.37793	6.6
628.38239	1.6
629.38885	2.8
635.30963	12.5
636.31244	2.1
653.31787	16.0
654.32123	2.3
671.23053	18.1
671.34039	28.4
672.23706	4.7
672.34357	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	671.294
Annotation	Vateamine 2'beta-N-oxide
Peak:m/z	Relative Intensity
52.00755	0.6
55.01776	0.7
56.25215	0.6
57.03331	4.2
58.00479	0.8
58.56193	0.7
59.01263	99.2
60.01604	1.4
60.99202	0.8
61.98719	7.2
65.00223	0.8
69.03361	1.6
71.01265	19.7
71.51746	1.0
72.99194	1.9
73.02831	8.4
73.51264	0.6
75.00745	0.8
81.03343	0.8
83.01271	4.1
83.04919	1.4
85.02842	10.5
87.00768	3.1
89.02345	6.8
93.03342	3.4
93.54063	0.7
95.01302	2.3
95.04877	0.9
96.95903	2.6
97.02838	1.7
97.06472	1.8
99.00760	5.2
99.04432	3.2
101.02351	12.9
105.30399	0.7
107.04908	0.7
108.02075	11.7
109.02882	8.6
109.06496	1.6
111.00760	1.4
111.04427	1.2
113.02349	11.3
116.92790	0.8
119.04929	2.7
121.02864	3.4
121.06565	0.8
122.03629	1.2
123.04420	2.7
123.08102	1.1
125.02365	7.9
125.06045	0.8
126.02673	0.9
129.01955	0.7
131.03432	0.8
133.02829	1.4
134.03677	1.4
135.04430	3.4
136.05177	2.4
137.02370	7.5
137.06029	1.7
139.03882	1.4
141.01862	0.7
141.05515	0.7
143.03432	1.3
144.78802	0.7
147.04478	0.8
149.02368	5.7
149.05971	1.8
150.03171	0.9
150.06760	2.1
151.00272	2.4
151.03941	2.8
151.07547	1.5
152.01091	11.5
153.01868	5.5
153.05531	0.9
159.02971	1.6
161.02336	1.7
161.04492	8.4
163.03915	1.8
163.07603	1.2
164.04742	5.1
165.01871	1.3
165.05482	1.6
165.09116	1.5
165.12746	2.3
166.02557	1.0
167.03450	0.8
173.39140	0.7
174.01581	1.4
175.02521	0.8
175.03949	1.7
177.01968	1.5
177.05547	1.3
178.02548	0.7
179.05574	0.9
179.07028	1.4
179.10713	1.6
190.02661	1.1
191.03287	0.8
193.04971	1.3
195.06616	0.9
205.05019	1.6
207.10219	1.0
207.13889	4.3
209.11803	12.9
210.11984	0.8
223.06099	8.7
224.06509	0.8
225.11360	1.2
225.14970	12.0
226.15152	1.3
227.12889	64.4
228.13246	4.7
235.05933	0.8
251.12839	2.2
263.05405	0.8
269.04364	1.3
269.10294	7.8
269.13873	12.2
271.05988	1.7
285.04169	0.8
287.05475	1.4
287.15073	32.3
287.22018	1.6
288.15250	2.6
325.81271	0.8
373.25732	1.7
383.13510	4.8
401.09952	1.1
401.14587	16.4
425.08054	0.8
479.29382	0.9
509.34930	2.0
627.37225	2.0
640.81055	1.6
653.28241	9.0
654.28052	1.9
670.39191	0.9
671.29016	100.0
672.18658	1.5
672.29547	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2212
Annotation	Lembehsterol A
Peak:m/z	Relative Intensity
53.80872	0.5
57.03335	2.0
59.01263	16.2
61.26027	0.5
61.98716	2.9
67.47565	0.5
71.01268	7.2
71.51981	0.7
72.99197	2.5
73.02839	2.1
75.00777	1.2
81.03360	0.9
83.01283	1.6
85.02847	4.5
87.00761	2.1
88.54475	0.5
88.98698	0.7
89.02335	3.8
93.03362	1.5
95.01299	2.0
96.95916	1.6
97.02842	0.8
97.06496	0.5
99.00796	2.6
99.04415	0.6
101.02342	4.3
108.02078	45.4
109.02901	7.9
110.03209	0.4
111.00790	0.6
112.03946	0.5
113.02348	3.2
119.03445	0.5
119.04946	1.3
119.08601	0.9
121.02870	2.3
122.06045	0.6
123.00767	0.7
123.04452	0.7
125.02368	2.4
131.03415	0.7
133.02840	0.6
134.03641	0.6
135.04448	1.8
135.07982	0.5
137.02361	4.0
137.09653	2.4
139.02785	0.5
143.03429	0.5
144.20367	0.5
145.02875	0.7
149.02412	1.1
149.04491	1.6
149.06046	0.5
150.66223	0.5
151.00336	1.5
151.03934	1.5
152.01091	85.7
153.01894	6.7
161.02371	0.7
161.04498	1.8
161.09752	0.5
163.03964	4.1
165.01895	1.0
165.05484	1.0
166.05046	1.3
167.03447	0.9
175.02432	0.8
175.03952	0.5
177.01926	1.8
179.03477	1.2
179.10750	1.5
181.08633	2.7
193.05116	0.6
195.06688	0.5
197.08156	0.7
197.11755	2.3
207.02927	0.8
209.04564	1.0
219.02965	0.8
223.06119	0.7
241.10762	1.3
269.04623	1.0
285.03979	0.7
297.06354	0.6
311.09946	1.0
315.07236	3.1
381.09979	0.6
403.12839	0.9
429.10480	8.6
430.11041	1.0
431.91119	0.5
447.11447	7.3
448.11783	0.7
545.26086	3.0
608.97498	0.5
611.19922	1.0
627.22986	2.5
653.20856	0.7
671.22046	100.0
672.22260	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	671.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48179	0.3
57.03337	55.7
58.03673	0.9
59.01260	4.5
61.98721	1.6
68.43090	0.3
70.78886	0.8
71.01276	0.7
73.98005	0.3
81.03336	1.4
83.01291	1.2
85.02839	0.4
88.98714	0.6
93.03334	0.4
96.95946	0.5
99.04417	39.4
100.04757	0.9
101.02345	11.6
103.05455	0.3
113.02361	0.5
118.54306	0.3
119.03432	0.3
121.02888	0.4
122.58337	0.3
125.02365	23.7
126.02734	0.5
132.02155	0.4
135.00719	0.3
135.04485	0.5
143.03407	0.6
145.02895	1.6
147.04485	0.5
148.01631	1.7
148.05171	0.3
149.06067	0.3
158.03679	0.6
159.04491	0.7
161.02342	0.6
161.04547	0.3
173.02425	0.8
173.05980	0.4
174.03198	0.5
175.03957	0.5
187.03986	0.8
188.04735	1.1
189.05536	0.9
199.04100	0.3
201.01834	0.8
201.05713	0.3
203.03625	0.4
209.11821	1.1
214.02773	0.4
215.03595	0.6
216.04195	0.5
217.05112	0.5
227.03506	0.6
231.10332	0.6
239.03493	0.6
241.05125	0.6
242.05902	0.5
263.07281	0.9
265.05057	0.4
265.08755	0.6
266.43890	0.3
267.03082	1.3
277.08777	1.2
278.09512	0.6
279.03094	1.1
279.06671	0.9
281.04584	0.7
289.08612	0.3
291.06714	0.5
293.04675	0.9
293.08267	4.1
294.09003	0.6
295.02670	1.7
295.05756	0.5
303.06879	0.4
305.08270	1.9
306.08902	0.6
307.02539	0.9
307.06241	2.2
321.04294	0.8
321.07687	4.5
322.08524	5.2
333.07791	1.0
335.05673	2.2
335.09305	0.7
349.07233	3.3
350.08008	57.6
351.08386	5.9
363.08798	0.5
364.09671	0.8
365.10358	100.0
366.10690	10.5
377.10342	0.7
449.16257	1.0
450.15692	0.3
467.17126	0.5
478.11887	0.3
509.14569	2.5
527.15564	1.7
528.16095	0.3
569.17102	0.9
611.21588	4.1
611.37793	0.4
612.21655	0.7
671.21564	1.2
671.41187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.7
57.03318	0.7
57.66629	0.5
59.01263	7.6
61.98713	3.5
63.32104	0.4
69.63815	2.9
71.01274	4.8
72.99180	0.6
73.02831	1.5
79.95392	0.4
83.01301	1.1
84.71053	0.4
85.02834	1.9
87.00787	0.8
89.02321	1.6
96.95908	1.7
97.02891	0.4
98.19936	0.8
99.00780	35.3
100.01096	0.6
101.02333	3.2
107.04853	0.5
108.02070	0.7
109.02856	0.8
109.06498	0.7
110.58154	0.4
111.04426	0.6
113.02338	1.6
119.03385	0.7
119.04939	0.5
121.02887	0.9
123.04432	0.5
125.02346	1.3
132.02122	0.7
133.02896	0.5
137.02357	0.5
137.06013	1.0
148.01614	0.7
149.02412	2.6
149.06023	0.4
151.07675	0.6
152.01112	0.4
161.04512	1.3
164.04695	2.4
165.05536	0.9
167.07271	0.5
171.10223	0.4
173.02534	0.5
174.03159	0.5
179.07010	0.5
183.13811	0.5
187.02473	0.6
190.02638	0.6
191.95700	0.4
200.04774	0.4
202.06303	0.7
203.03499	0.5
203.07072	0.5
205.05115	0.7
207.10254	0.6
209.11716	0.7
211.07990	0.5
213.01813	0.4
217.93375	0.4
223.06123	4.5
229.05032	0.6
230.05710	0.5
239.07265	0.5
241.05107	0.7
255.06763	1.1
256.07339	0.8
261.06049	0.5
284.03387	1.6
286.08505	1.3
287.22458	3.1
299.05707	0.9
307.09781	1.1
319.09814	0.9
323.05634	0.7
331.09818	0.6
335.09351	1.5
336.10071	1.2
337.10922	1.0
347.09198	0.7
348.10095	1.2
349.10684	0.6
360.10098	1.3
361.10492	0.6
363.08704	1.2
364.09625	1.4
365.10251	1.6
366.11142	3.2
376.09457	0.5
378.06720	0.7
378.11124	4.8
379.11832	1.5
391.11890	0.6
393.09827	1.3
394.10666	24.8
395.11038	2.9
401.14752	0.7
408.12305	0.7
409.12997	100.0
410.13336	12.2
423.14807	1.0
447.31100	0.8
449.32736	0.9
571.18243	6.0
572.18457	0.6
611.36853	1.0
623.26923	0.5
627.21057	1.5
627.37512	4.2
628.38440	0.7
628.50385	0.5
629.39423	0.6
670.37903	1.0
671.23596	3.7
671.37018	5.9
672.23389	0.7
684.92212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.3
59.01262	2.2
61.98716	100.0
62.60934	0.1
62.98420	0.2
66.24967	0.1
71.01271	1.6
72.99211	0.2
73.02843	0.5
75.00795	0.3
83.01292	0.4
85.02848	0.9
87.00774	0.4
88.98707	0.3
89.02344	0.6
93.03355	0.4
95.01268	0.3
96.95926	0.5
99.00773	0.2
99.04424	0.3
101.02347	0.9
108.02077	0.2
109.02877	0.3
111.00802	0.1
113.02356	0.9
119.03464	0.1
119.04958	0.5
121.02898	0.6
123.00837	0.1
123.04462	0.2
125.02386	0.7
135.04475	0.4
136.05217	0.2
137.02370	0.8
137.06004	0.2
141.98198	0.2
143.03458	0.1
145.02888	0.2
147.04500	0.2
149.02380	1.7
149.05984	0.2
150.03052	0.1
151.00294	0.3
151.03870	0.2
152.01097	0.3
153.01849	0.1
161.02408	0.2
161.04552	0.4
163.03954	0.2
164.04736	1.8
165.05469	0.3
166.04964	0.1
167.03369	0.1
175.00333	0.2
175.02591	0.1
177.02020	0.1
177.05635	0.2
179.07133	0.3
181.05138	0.2
189.09265	0.1
190.02693	0.3
205.05045	0.4
223.06125	3.8
224.06468	0.4
283.06265	0.3
293.04745	0.2
299.05890	0.1
311.05469	0.1
364.02774	0.6
413.08798	0.2
454.29785	0.1
463.31244	0.1
607.20471	0.6
611.54053	0.2
622.28955	0.2
633.35034	0.1
634.35663	0.2
669.35724	0.2
669.81561	0.9
670.23853	0.4
670.33801	0.5
671.23792	0.2
671.36060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
57.03327	2.2
59.01265	32.8
60.01605	1.1
61.98707	3.4
61.99202	0.8
65.03847	2.1
68.55558	0.9
71.01266	16.3
71.12216	2.1
71.12589	0.9
72.99186	1.6
73.02843	5.4
75.00764	2.7
83.01285	4.3
85.02848	9.4
85.38940	0.8
87.00777	3.9
88.98690	1.9
89.02340	2.9
91.01786	1.2
91.05437	3.3
93.03362	3.8
95.01302	1.6
97.02848	3.4
99.00793	4.2
101.02351	9.1
103.03959	0.9
107.04929	2.3
108.02064	5.4
109.02869	16.1
111.00780	1.3
113.02374	5.6
117.03386	3.7
118.03652	0.9
119.01306	3.2
119.03455	1.2
119.04937	2.2
121.02872	21.9
122.03648	3.7
123.04434	3.9
125.02353	5.2
133.02893	2.1
134.03668	1.3
135.04445	38.9
137.02374	3.3
137.06001	1.1
143.03413	1.0
145.02928	1.1
147.00835	2.9
147.04463	17.2
148.01569	2.5
149.02386	17.5
149.05995	9.4
150.03146	3.4
150.65182	0.9
151.03905	2.9
151.85661	1.0
152.01108	3.3
153.01878	6.3
153.05504	9.5
159.02971	1.1
161.02396	8.2
161.04550	2.2
161.06026	12.3
162.06830	7.1
163.03961	2.6
164.04744	17.2
165.01903	2.0
165.05530	11.5
167.03409	1.5
168.58592	0.9
169.05025	2.4
169.45500	0.9
173.02438	1.6
173.06044	5.3
174.06715	0.9
175.00339	22.5
175.03976	3.3
176.01122	11.8
177.01828	2.5
177.34776	1.0
179.05516	1.6
179.07097	29.1
180.07413	1.6
187.03926	2.1
189.01918	1.9
190.02692	69.0
191.03450	16.4
191.07074	6.2
193.01447	1.3
193.04755	1.0
194.02228	1.1
205.05049	79.6
206.05428	4.7
208.03804	3.0
209.04488	3.1
211.13472	2.1
215.03319	1.0
215.07141	1.3
223.06125	26.2
227.10774	1.2
247.06013	1.1
253.08609	1.1
265.63181	1.1
271.09860	2.0
283.06473	1.7
283.09796	6.4
285.04019	2.9
293.04807	1.2
297.07736	9.4
301.10883	60.1
302.11200	5.2
306.05057	1.8
307.05728	1.5
308.06073	1.3
315.07437	3.4
315.12430	1.7
331.08221	3.2
335.05673	2.5
336.06030	3.9
337.06210	3.8
352.07959	1.2
353.08847	4.6
367.10428	78.5
368.10834	6.1
397.13632	1.3
427.10257	1.5
445.15274	1.4
455.10007	1.6
456.10257	3.3
457.10678	5.8
463.16223	1.5
545.13141	2.5
546.13434	8.3
547.13684	23.0
548.13995	1.6
557.77905	1.8
569.78381	1.0
608.29901	1.8
608.79694	6.3
609.29279	1.1
617.30145	4.9
617.80188	17.0
617.90143	1.3
618.30554	3.9
618.80682	1.8
638.30664	2.3
638.80817	6.8
639.30298	1.1
669.22070	100.0
670.22443	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	669.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	48.6
58.03682	0.9
59.01263	3.1
61.98423	0.3
61.98727	1.2
70.09554	1.0
70.09956	0.7
71.01266	0.5
72.05136	0.3
74.03138	0.3
77.33519	0.4
78.95793	0.5
81.03358	1.4
83.01275	0.7
85.02850	0.5
90.68591	0.3
96.04739	0.3
98.19914	0.3
99.00832	0.3
99.04420	32.6
100.04769	0.6
101.02351	9.5
109.02919	0.5
119.04952	1.0
120.02060	0.6
125.02370	21.1
126.02720	0.7
133.02831	0.7
143.03461	0.7
148.01611	5.8
160.63098	0.3
171.04407	0.5
207.10315	0.5
209.11809	0.6
211.13365	0.6
215.03485	2.8
240.04260	2.2
241.04968	0.7
254.27042	0.3
261.05563	0.6
263.07263	1.2
264.07974	1.2
267.06543	0.4
275.07150	1.9
276.07953	1.5
285.04138	0.6
291.06699	7.9
292.07379	1.4
295.06183	0.9
299.05707	0.9
300.06390	1.1
301.07248	0.9
303.06659	1.6
304.07492	3.1
305.08414	0.5
307.06226	2.5
319.06189	10.3
320.06903	2.6
332.06699	0.5
347.05673	6.9
348.06454	67.0
349.06830	6.8
349.10681	0.6
350.11517	1.7
351.12466	0.8
361.07199	1.0
362.03967	0.3
362.07925	1.7
363.08823	100.0
364.09180	11.2
403.15262	0.5
421.16669	17.2
422.16846	1.9
507.12918	2.4
508.13364	0.5
525.14130	3.9
560.03485	0.3
567.15210	5.2
568.15228	0.4
607.18262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74336	0.6
55.52364	0.6
57.03333	1.1
59.01257	8.2
61.98704	2.2
67.79903	0.7
69.03318	1.1
71.00925	0.8
71.01257	3.7
72.99200	1.5
73.02820	1.8
74.62371	0.7
74.90997	0.7
75.00761	0.8
83.01269	1.6
85.02841	2.1
87.00770	2.0
89.02319	2.0
93.03339	1.9
95.01257	3.1
96.95897	3.0
97.02852	1.8
98.19786	2.1
99.00787	0.9
101.02324	2.2
108.02106	3.8
109.02865	1.7
111.00828	0.8
113.02360	2.2
116.92739	1.4
119.04942	1.0
121.02851	2.2
123.00782	14.8
124.01591	32.9
125.02378	26.9
133.02892	0.8
134.03653	1.0
135.04401	0.9
137.02361	5.0
139.00298	1.2
139.03920	1.3
145.02951	0.8
147.04445	0.8
149.02367	10.2
149.99529	48.7
150.03096	1.5
151.00322	3.7
151.03867	1.2
152.01102	5.5
153.01944	3.5
160.01614	0.8
161.02379	1.2
161.04561	0.9
164.04723	6.1
165.01842	1.3
165.05434	3.2
166.99808	1.3
167.03407	2.4
168.00595	91.6
169.01274	7.8
175.00414	0.8
175.03951	1.3
177.01903	7.0
179.03452	1.8
179.07040	1.1
181.05038	1.7
190.02655	1.5
191.03387	0.7
195.06618	4.1
205.04988	1.7
208.03716	1.2
209.08150	2.1
223.06033	5.0
254.74765	0.8
271.10391	0.8
293.40692	0.8
315.07422	4.4
331.06659	3.2
339.07278	3.7
357.13504	1.0
383.06204	0.9
406.16040	1.0
421.18842	6.3
463.11026	2.7
465.10333	2.2
571.19409	0.8
625.34454	1.3
637.13440	1.0
651.27026	1.2
669.16791	100.0
670.17047	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	669.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17799	0.2
56.50710	0.2
58.62355	0.2
59.01258	0.3
60.09765	0.2
60.99192	15.0
65.00195	0.3
70.82757	0.5
71.01273	0.3
72.99202	0.2
73.02844	0.2
79.79182	0.2
81.03306	0.2
83.01286	0.2
87.00776	1.2
88.00254	0.2
88.98700	100.0
89.02341	0.7
89.99039	0.8
101.02303	0.2
107.01297	0.6
108.02063	0.3
109.02861	0.2
119.04945	0.9
125.02370	0.3
135.04445	0.2
151.00307	2.8
152.00917	0.3
161.04878	0.2
166.05016	0.2
167.03531	0.2
174.93434	0.2
177.01852	0.3
179.03334	0.2
269.04422	0.2
271.06198	2.2
272.06540	0.4
273.06702	0.3
359.12213	0.2
459.11380	0.3
579.17242	2.6
580.17889	1.3
581.18109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03376	0.6
59.01325	3.9
61.98778	2.0
69.42067	1.6
69.42500	1.6
71.01276	3.6
72.77419	0.4
72.99252	0.6
73.02888	0.7
83.01347	1.2
85.02882	0.8
87.00833	0.9
87.93475	0.3
89.02434	1.1
93.03361	2.3
95.01356	0.6
96.96001	0.8
99.00835	0.8
101.02335	1.9
105.83730	0.4
107.05006	0.6
108.02079	3.9
109.02960	1.2
112.82925	0.4
113.02457	1.7
117.03370	14.2
118.03726	0.5
119.05033	1.1
121.02971	1.4
122.02406	6.2
123.04548	0.7
125.02462	1.3
135.04549	1.8
137.02498	1.2
139.21925	0.4
145.02979	0.9
149.02483	1.3
151.00417	1.3
151.04033	0.4
152.01091	8.1
153.01524	2.0
159.04575	0.4
161.02388	3.1
161.04617	0.7
161.06038	0.6
163.04045	1.1
165.01981	1.5
165.05519	0.8
173.01018	0.4
173.02412	5.5
175.04070	1.3
177.01950	1.1
177.05569	0.7
179.03474	0.7
179.07179	0.7
179.95506	0.4
185.02361	3.1
187.03981	2.6
189.01857	2.8
191.03514	0.5
197.02403	2.2
201.02029	0.5
203.03557	1.9
205.05098	0.7
207.03058	0.5
207.06587	0.4
215.03490	3.6
217.01451	3.3
217.05055	0.4
227.03661	1.0
241.01604	1.4
245.04659	0.6
251.07306	0.7
261.05600	0.6
263.07327	1.0
271.02661	1.0
283.06253	1.5
288.04514	0.4
293.04706	1.1
295.06256	0.8
305.04565	5.8
306.05417	4.4
307.06168	8.3
308.06805	0.7
309.04132	0.5
309.08115	0.7
311.05652	0.9
315.07578	0.4
317.04492	0.5
323.05719	1.4
335.05673	34.0
336.06015	2.7
337.07138	0.7
338.04520	0.7
339.05112	1.6
365.06732	11.4
366.07071	0.9
377.06708	0.8
407.07700	0.8
425.08859	73.2
426.09186	7.3
429.10355	0.9
430.10800	0.7
455.09915	1.8
459.09131	0.5
545.13123	100.0
546.13464	12.0
618.15594	0.7
637.63873	0.4
667.18109	0.9
668.17578	15.1
669.17499	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	667.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	4.9
58.60231	0.7
59.01266	5.2
65.03854	1.6
69.03347	1.1
71.01259	4.7
71.59322	1.4
71.81353	0.7
73.02851	1.1
83.01275	1.2
83.04919	3.8
84.06438	0.8
85.02840	1.8
87.00764	6.2
89.02344	2.5
93.03339	1.0
95.01301	0.8
96.95883	1.8
97.06495	1.1
101.02354	2.0
109.02850	1.0
111.04427	3.4
111.08059	2.3
113.02350	2.5
115.00418	0.9
116.92782	2.5
119.04939	1.2
121.06509	2.6
123.08083	15.0
125.02401	1.2
125.09621	0.8
133.06535	1.5
135.04474	1.0
137.02406	1.3
137.09651	1.9
139.07561	2.5
145.10155	2.3
149.02393	0.8
149.06024	1.1
151.07645	2.2
153.09138	1.2
169.10146	2.0
171.11752	15.0
172.12048	1.0
177.01965	0.9
189.12819	5.4
201.12825	6.5
206.08244	1.1
207.13885	3.3
219.13922	2.6
237.14955	16.6
238.15353	1.7
260.33643	0.8
262.20880	0.9
269.33401	0.8
281.13995	100.0
282.14313	7.7
414.09424	1.0
577.15637	4.7
667.18237	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	668.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75690	0.7
57.03340	1.2
57.66657	0.8
59.01000	0.7
59.01266	9.4
60.99190	4.2
61.98714	6.1
65.00234	1.1
71.01277	5.6
72.99208	0.8
73.02823	2.1
83.01260	1.7
85.02833	1.8
87.00764	2.3
88.98697	31.4
89.02333	2.5
93.03360	4.2
95.01292	1.5
96.95890	1.7
98.19804	2.2
99.00779	1.0
101.02324	3.9
107.01275	0.9
107.04922	0.8
108.02065	1.7
109.02840	1.7
113.02353	2.3
116.18826	0.8
116.92809	1.8
117.03371	9.9
119.04904	2.6
121.02853	2.1
122.01571	1.2
122.02406	20.3
123.04415	2.0
125.02397	4.0
133.02859	0.8
133.06474	1.3
134.03639	0.8
135.04453	3.8
136.52643	0.9
137.02324	3.9
137.06046	0.9
145.02820	1.0
149.02379	4.0
149.06009	1.2
150.03081	1.3
151.00278	3.6
151.03911	2.5
152.01057	1.0
153.01892	0.8
159.04378	1.9
161.02383	9.0
161.04546	1.0
161.05943	1.1
162.02734	1.6
163.03917	2.7
164.04684	1.0
165.01756	1.0
165.05453	0.9
173.05998	0.9
175.03990	4.0
175.05247	0.9
176.04701	3.0
177.01839	2.4
177.05412	1.6
179.03447	7.4
180.03821	1.6
185.02385	1.4
187.04007	1.3
189.01955	1.4
189.05511	1.0
190.02570	1.2
191.03368	2.7
191.07059	2.6
192.07484	1.1
193.04997	1.2
194.05797	8.4
195.06163	3.0
199.03978	0.9
203.03456	4.4
205.05054	3.0
209.08183	26.0
210.08511	9.7
215.03450	2.9
217.05072	1.1
223.06110	2.3
227.03513	2.0
233.04565	1.4
234.07268	0.7
235.02240	1.1
245.04561	1.9
257.04648	1.0
269.04608	1.5
271.02435	1.3
271.06097	1.4
281.04437	1.5
282.05283	1.8
283.06107	4.4
285.04248	1.0
293.04623	1.8
293.08057	1.3
294.05219	1.4
295.06305	5.6
296.06766	4.3
297.07724	16.7
298.08054	1.5
299.05630	1.9
301.07220	1.1
307.06122	4.4
309.07690	3.8
311.05783	4.4
311.08789	1.0
321.04129	1.2
321.07593	1.3
323.05624	5.3
324.06183	2.1
325.07321	7.1
328.05972	2.8
335.05621	8.5
336.06119	1.1
337.07193	4.1
347.05649	1.3
349.07263	2.1
351.05313	1.0
353.06747	30.5
354.07111	2.1
365.06708	15.2
366.06906	2.0
367.08194	1.7
377.06735	2.1
381.05838	1.1
383.07806	16.1
384.08118	1.1
395.07666	4.7
396.08145	1.2
407.08179	1.2
413.08737	2.6
425.08774	9.5
443.09866	13.0
455.09842	6.1
456.10443	1.1
473.10870	7.0
485.11136	7.6
507.12848	1.6
523.22003	1.3
524.22156	1.3
527.12262	1.3
545.13129	77.9
546.13501	10.8
580.17987	0.8
668.16351	100.0
669.16479	18.7
669.26947	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	667.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.5
59.01002	0.4
59.01271	7.8
60.99181	0.4
61.98727	3.2
63.21811	0.3
66.23404	0.4
68.99670	0.4
69.27251	0.3
70.24406	1.5
71.01271	3.1
72.99230	0.7
73.02821	0.8
75.00753	0.8
83.01289	0.6
85.02859	1.2
87.00774	1.1
88.98710	2.3
89.02347	1.4
93.03364	1.2
95.01324	0.5
99.00782	1.2
99.04429	0.9
101.02362	1.6
103.48743	0.4
105.01854	1.0
105.03371	0.5
108.02077	0.7
109.02844	0.8
113.02354	1.1
117.03371	1.5
119.03406	0.4
119.04942	1.4
121.02882	1.9
122.02403	2.0
125.02336	1.9
134.03673	0.6
135.04465	0.9
137.02359	1.3
143.03416	0.4
145.02884	0.5
147.04398	0.6
149.02397	2.1
150.03128	0.5
151.00348	1.9
151.03946	2.9
153.01900	0.4
159.04405	0.4
161.02393	17.5
161.04456	0.8
162.02821	0.5
163.03860	0.5
164.04752	1.0
165.05495	1.3
167.03424	0.8
175.02513	0.4
175.03946	0.8
176.04752	14.2
177.01871	0.6
177.05205	0.8
179.03462	31.1
180.03798	1.2
181.05006	0.5
189.05609	0.4
190.02777	0.7
191.07137	5.3
192.07307	0.4
193.05051	0.6
194.05832	37.2
195.06174	2.1
203.03477	0.4
205.05092	1.0
209.08197	100.0
210.08537	5.5
223.06114	2.5
271.06055	1.0
281.14130	0.5
283.06232	0.6
295.06192	0.8
296.06876	0.5
297.07745	1.5
307.06168	0.5
309.07745	0.6
311.05615	0.6
323.05545	0.9
325.07306	1.0
335.05655	1.2
337.06915	0.5
353.06656	2.7
361.16730	2.1
365.06738	1.6
383.07904	1.5
395.07718	0.5
407.07846	0.5
419.17230	3.5
425.08875	1.7
443.09912	1.1
458.53537	0.4
485.11206	1.0
505.20920	1.5
523.21924	3.3
545.13159	12.8
565.23022	0.6
579.17413	0.9
667.27087	0.6
668.16504	11.8
668.26947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03316	0.2
55.01763	0.2
56.04514	0.1
57.03336	12.8
58.03665	0.2
59.01263	2.6
61.98727	0.8
67.54391	0.1
69.03337	0.2
71.01268	2.1
71.60056	0.2
71.68648	0.1
72.79478	0.1
72.99204	0.6
73.02846	0.8
75.00764	0.5
77.03876	0.2
78.95837	0.1
81.03342	0.2
83.01276	0.6
85.02850	1.4
87.00776	0.4
88.98714	0.4
89.02331	0.4
93.03346	0.7
95.01279	0.4
96.95923	0.4
97.02851	0.3
99.00777	0.6
99.04408	1.5
101.02342	4.0
108.02079	5.1
109.01667	0.2
109.02881	1.2
111.00800	0.3
113.02350	1.5
113.23511	0.1
116.92752	0.5
117.03399	0.4
119.03403	0.2
119.04955	0.6
119.75211	0.2
121.02871	100.0
122.02332	0.2
122.03203	3.8
123.00824	0.2
123.04455	0.4
125.02368	3.2
131.03384	0.2
133.02873	0.3
134.03638	0.3
135.04448	0.9
137.02397	0.9
139.03915	0.2
142.68076	0.1
143.03470	0.3
147.04500	0.2
149.02386	0.4
149.04498	0.1
151.00281	0.5
151.03937	0.3
152.01088	7.5
153.01859	0.7
161.02394	0.3
161.04520	0.4
163.03960	0.5
165.05525	0.1
167.03436	0.3
175.03993	0.4
177.01923	0.4
181.04935	0.4
185.32819	0.2
191.07138	0.1
193.04958	0.3
203.03508	0.1
205.05026	0.2
209.08107	0.1
223.06059	0.4
237.07755	0.4
253.05058	0.2
269.04507	0.3
281.04654	0.2
283.06076	0.6
284.03384	0.2
287.05426	0.2
295.06079	0.2
297.07736	0.2
307.06070	0.3
309.07428	0.2
311.05676	0.5
315.07196	0.3
315.12466	0.4
323.05548	0.3
325.07285	0.2
335.05435	0.2
337.07123	0.2
339.05118	0.4
353.06604	0.2
365.06650	0.5
366.07138	0.1
369.06146	0.4
395.07925	0.5
401.10880	2.9
401.15659	0.2
402.11130	0.2
425.09064	0.4
429.10434	1.3
437.09125	0.2
443.11826	0.7
444.12296	0.1
455.09940	0.2
468.84659	0.2
505.20624	0.3
523.14685	2.9
524.15204	0.7
527.12274	0.3
545.13361	0.9
565.16095	0.6
581.36426	0.2
623.37238	0.7
645.29156	0.4
667.18256	9.3
667.36499	0.3
668.18384	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	667.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03986	0.7
57.03348	1.0
59.01263	4.0
61.98729	1.1
66.97504	0.7
68.67850	0.7
69.37850	6.6
71.01262	6.4
72.99202	0.8
73.02853	1.4
75.00787	2.0
83.01289	1.7
85.02879	1.2
87.00810	1.6
89.02334	4.1
91.68491	0.9
96.95887	1.0
99.00798	1.5
101.02378	2.8
109.02939	1.0
113.02408	1.9
121.02916	1.2
122.02445	1.5
123.08092	0.8
125.02400	2.0
135.04459	1.8
137.02373	1.3
145.02913	0.8
147.04457	0.8
149.02368	1.2
149.04539	1.2
151.00388	0.8
151.03967	1.7
152.01146	0.8
161.04541	0.9
165.05562	1.1
179.03549	0.9
179.05482	0.7
202.02704	1.3
207.03033	0.8
237.14984	1.0
246.07745	0.9
256.51935	0.7
281.14105	2.0
283.06149	1.3
295.06049	1.7
297.07721	1.5
299.05948	0.8
307.06418	1.5
308.06857	1.2
309.07889	1.8
311.05655	1.2
312.06558	1.6
313.07178	1.8
323.05722	2.0
324.06387	1.6
325.07135	4.1
327.08627	1.2
335.05679	1.3
337.07144	4.1
339.05130	1.3
341.06674	5.8
349.07327	1.1
351.08847	1.0
353.06689	4.6
354.07376	0.9
355.08209	3.5
356.09198	1.7
365.06653	1.8
366.07639	0.8
367.08344	2.7
369.06180	3.3
370.06625	1.2
371.07813	14.1
372.08148	1.8
377.06833	1.0
381.06259	2.0
382.06976	1.2
383.07770	5.5
384.08713	5.5
385.09424	6.8
395.07822	4.3
396.08414	2.4
397.09271	6.3
398.09766	0.9
399.07272	17.8
399.12265	1.6
400.07620	3.4
401.08807	1.4
403.12491	3.0
407.48718	0.7
411.07739	1.4
412.07440	0.8
413.08862	18.7
414.09576	21.3
415.10217	5.1
425.08911	1.4
427.10248	1.0
517.13330	1.2
529.13116	1.1
547.14685	11.5
548.15088	1.7
559.14502	3.8
577.15735	100.0
578.16119	13.2
589.15729	2.6
591.17676	2.2
607.16913	5.8
608.16748	1.1
631.16571	1.6
649.18134	5.0
657.49133	0.9
667.18890	61.8
668.19415	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	667.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69998	0.2
59.01260	1.5
60.76864	0.2
62.20987	0.3
62.83618	0.2
64.02154	0.3
66.69007	0.2
71.01265	0.6
71.12832	0.4
71.16008	0.2
76.55862	0.2
85.02872	0.4
87.00784	0.3
88.98655	0.3
89.02344	0.3
91.01743	0.3
92.13921	0.3
93.03358	1.9
100.06870	0.3
100.72897	0.2
101.02357	0.5
113.02364	0.3
117.03374	15.0
118.03719	0.7
119.04971	0.3
121.02866	3.7
137.02373	0.4
138.45789	0.2
139.26074	0.3
145.02847	0.7
149.02432	0.3
149.05974	0.3
159.04431	0.6
160.01697	0.2
161.02393	1.9
163.03920	0.9
171.04443	0.3
173.02388	5.9
174.02678	0.3
175.03938	0.4
177.05495	0.9
185.02402	2.9
187.03961	3.1
189.01877	2.9
197.02440	1.3
197.04561	0.7
201.01897	0.3
203.03447	1.2
215.03535	3.5
216.99419	0.4
217.01421	3.8
227.03537	0.7
229.01505	0.3
233.06111	0.4
235.07652	0.4
241.01398	1.4
243.02939	0.3
245.04515	0.4
248.04643	0.3
249.05753	0.3
251.07230	0.4
261.05652	0.5
262.06152	0.3
263.03537	0.4
263.07166	0.9
266.60986	0.3
271.02466	0.9
277.04950	0.5
278.05817	0.3
279.06644	0.6
281.04663	0.8
289.05167	0.5
291.06689	0.3
293.04767	1.4
295.06174	0.4
299.05652	0.6
305.04587	6.3
306.02011	0.2
306.05316	5.0
307.06158	8.2
308.03235	0.4
308.06540	0.7
311.05515	0.4
317.04639	0.4
319.06342	0.3
321.04135	0.5
323.05634	0.5
335.05679	35.7
336.05963	3.6
337.07159	0.4
338.04306	0.8
345.86090	0.3
347.05603	0.6
349.06491	0.2
365.06720	8.5
366.07031	0.9
377.06842	0.6
425.08859	90.0
426.09213	8.6
455.09647	0.5
485.11398	0.3
497.50253	0.2
545.13116	100.0
546.13501	12.8
623.36682	0.6
667.16150	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	667.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01266	4.0
61.98717	0.6
65.11339	0.3
67.78846	0.3
69.03323	0.3
69.36701	2.9
71.01250	3.0
72.99180	0.3
73.02820	1.3
75.00761	0.8
83.01274	0.6
84.70033	0.3
85.02839	1.9
87.00774	0.5
89.02350	0.4
93.03352	3.1
95.01317	0.4
99.00761	0.8
101.02327	1.5
108.02108	0.3
113.02362	1.6
114.46420	0.3
117.03374	14.1
118.03712	0.5
119.04937	0.6
121.02873	3.9
125.02362	0.6
135.04419	1.3
137.02338	0.6
145.02890	0.9
149.02388	0.6
159.04430	0.3
161.02386	3.3
161.04489	0.5
163.03947	1.1
173.02397	8.9
173.03882	0.6
174.02798	0.4
175.03944	0.7
177.01967	0.7
177.05547	0.4
185.02393	1.4
185.92360	0.3
187.03979	2.9
189.01892	3.5
190.02449	0.3
191.03514	0.3
197.02408	4.5
201.01794	0.4
203.03471	1.3
207.48502	0.3
215.03487	7.2
216.03836	0.4
217.01373	2.5
219.03061	0.4
225.05740	0.3
227.03531	0.9
235.07693	0.6
241.01447	7.4
242.01740	0.7
245.04514	0.6
251.07054	0.4
261.05664	0.4
263.07089	0.9
264.04431	0.3
267.14734	0.3
269.04529	0.3
271.02585	1.0
279.06622	0.7
283.06204	0.9
293.04623	1.9
293.07410	0.3
295.06140	1.0
305.04599	5.1
306.05304	5.0
307.06165	7.5
308.06595	0.8
309.04407	0.5
309.07813	1.1
311.05621	0.8
317.04639	0.6
321.04099	0.4
321.07635	0.6
323.05688	1.6
331.04654	0.7
333.07660	0.5
335.05679	31.5
336.05948	3.0
337.07285	1.1
338.04370	0.9
339.05228	1.2
347.05698	1.4
353.06396	0.4
359.05585	0.6
361.05939	0.5
365.06699	5.4
366.07144	0.4
369.06030	0.6
377.06586	0.9
389.06744	0.9
395.07809	1.2
407.07913	0.9
425.08875	21.7
426.09216	2.9
429.08157	0.4
437.08557	0.5
455.09958	21.3
456.10284	2.8
527.12152	0.3
545.13104	100.0
546.13397	11.8
552.36243	0.3
607.29492	0.9
616.29480	1.1
616.79364	0.5
623.36475	2.3
637.30005	2.7
637.80005	1.4
667.16699	9.9
667.25305	0.5
668.16962	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00148	0.3
55.26999	0.3
56.62135	0.3
57.01777	0.3
57.03336	0.9
59.01258	6.2
61.98713	2.4
65.00224	0.5
67.60358	0.3
71.01266	5.2
71.51444	0.6
72.99189	1.1
73.02833	1.4
75.00756	0.6
83.01294	1.1
85.02847	2.1
85.65137	0.4
86.03129	0.4
87.00771	1.2
88.98705	4.3
89.00237	0.6
89.02340	1.9
90.02621	0.3
91.01805	0.4
93.03357	1.9
94.49903	0.3
94.93607	0.3
95.01280	0.7
96.95918	0.8
97.02871	0.4
99.00780	1.5
101.02341	2.3
103.94788	0.4
104.04400	0.3
106.00528	0.9
108.02087	1.3
109.02879	0.5
109.35030	0.3
111.00783	0.7
113.02338	2.0
116.92786	0.6
117.03378	16.0
118.03732	0.9
119.04952	1.5
120.05347	0.3
121.02872	16.1
122.02415	0.4
122.03261	0.4
122.06944	0.4
123.00806	1.0
123.04434	0.8
123.08080	0.6
125.02369	1.4
127.00282	0.8
134.03636	0.4
134.21211	0.3
135.04453	1.5
136.98708	0.4
137.02379	1.0
138.03174	1.1
139.00267	0.4
139.03952	0.5
145.02856	1.3
147.04457	0.3
149.02364	0.7
149.06017	0.5
151.00279	1.0
151.03894	1.0
152.01137	1.8
153.01944	0.5
153.05516	9.2
159.04454	0.4
161.02475	2.0
161.04512	0.8
162.03180	0.4
163.03967	2.6
163.46019	0.3
164.04758	0.8
167.03464	0.5
171.11765	0.5
172.12096	0.4
173.02406	5.6
175.00287	0.4
175.03905	0.7
177.02042	0.4
177.05528	1.2
178.06207	1.0
179.03365	0.3
182.02255	0.7
185.02402	4.0
185.81145	0.4
187.03978	2.2
188.01062	0.4
189.01918	2.9
190.02724	0.5
193.08707	0.7
195.06421	0.5
197.02660	1.5
197.04532	36.6
198.04869	1.0
201.01930	0.4
203.03505	1.6
205.05040	0.6
209.08240	0.8
209.11841	0.5
215.03496	3.4
217.01442	3.4
217.04861	0.3
223.05948	0.5
227.03488	0.4
233.06110	0.5
235.07689	0.8
237.14969	1.5
238.15274	1.0
241.01445	0.9
245.04494	0.5
251.07005	0.5
261.05652	1.2
263.07138	0.8
265.05142	0.4
269.04541	0.7
271.02640	0.4
279.06744	0.6
281.13943	2.3
282.14258	1.7
283.14661	0.8
284.03308	2.0
285.03403	0.4
289.12048	1.1
293.04684	1.4
299.05649	4.1
305.04611	7.3
306.05353	6.1
307.06195	8.8
307.09814	0.5
308.06519	0.9
311.05542	0.5
317.04465	0.6
321.07904	0.4
323.05789	0.6
333.11008	0.8
335.05682	20.7
336.05978	2.4
338.04404	1.7
339.08530	0.4
355.24432	0.4
365.06729	9.6
366.07257	0.8
377.06851	0.5
395.07910	0.5
401.14655	1.7
402.14764	2.0
403.15228	1.0
407.07971	0.4
425.08871	100.0
426.09201	11.4
429.10327	0.7
445.13855	0.7
455.10126	0.7
527.12604	0.4
545.13135	83.5
546.13525	11.1
564.67102	0.4
579.33752	0.5
623.35992	0.7
645.31482	0.7
667.18646	1.9
667.38696	0.7
668.17828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.6
60.99191	15.2
61.98709	0.4
62.98090	0.2
63.20773	0.2
67.29877	0.2
67.90035	0.2
69.24194	1.3
69.24621	1.2
71.01279	0.4
72.99184	0.3
75.00775	0.4
78.95770	0.2
87.00810	0.3
87.70149	0.2
88.98700	100.0
89.99043	0.9
93.03356	0.3
100.52229	0.2
101.02369	0.5
108.02065	0.4
109.02885	0.4
137.02376	0.4
141.14040	0.3
151.00288	0.5
152.01122	0.3
153.01924	0.4
156.85982	0.2
191.07074	0.8
191.08722	0.2
221.08275	0.4
222.08887	0.2
247.51242	0.2
251.09325	0.9
268.03897	0.9
269.04581	3.4
270.04990	0.5
315.07385	0.6
448.46890	0.2
577.15955	1.6
578.16345	0.7
623.05359	0.3
667.19745	0.8
667.32343	0.2
668.16254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
59.01267	4.5
61.98717	3.2
62.76767	0.3
65.00212	0.7
69.79057	1.8
71.01264	2.9
72.99204	0.6
73.02827	0.7
75.00773	0.5
79.27448	0.3
83.01270	0.9
84.75508	0.3
85.02850	1.0
86.02390	0.3
87.00796	0.4
88.98699	1.2
89.02338	1.4
93.03360	2.3
95.01289	0.5
96.95906	0.6
97.02818	0.3
99.00764	0.6
101.02335	1.9
101.04067	0.3
107.01324	0.6
107.04902	0.3
108.02087	1.5
109.02846	1.3
112.41454	0.2
113.02370	1.2
115.00288	0.3
116.92764	0.9
117.03373	16.9
117.05505	0.5
118.03716	0.4
119.03442	0.6
119.04948	1.8
121.02866	2.4
122.02390	0.4
123.04397	0.4
125.02369	1.6
131.04965	0.4
133.02896	0.5
135.04451	0.7
137.02364	1.3
145.02879	1.2
147.04424	0.3
149.02423	1.0
149.06015	0.5
151.00314	2.7
151.03960	0.7
152.01129	2.4
153.01878	1.4
159.04443	0.7
161.02394	2.0
161.04459	0.7
162.03058	0.3
163.03999	1.3
164.04736	0.6
165.01910	0.4
165.05518	0.7
167.03433	0.5
173.02388	5.1
174.02953	0.3
175.00362	0.3
175.03926	0.6
177.01923	1.2
177.05550	0.9
179.03491	0.4
185.02426	2.8
186.02887	0.4
187.03967	3.3
188.01216	0.3
189.01910	3.3
190.02675	0.4
191.03371	0.3
191.07101	0.3
197.02463	1.8
199.03893	0.3
201.01932	0.9
202.99997	0.3
203.03465	1.0
205.05170	0.4
209.04628	0.4
209.08183	1.1
213.01855	0.3
215.03481	4.0
217.01440	3.3
223.05988	0.6
227.03508	0.6
229.01286	0.3
235.07658	0.5
241.01437	1.4
245.04546	0.5
249.05402	0.3
251.07253	0.4
257.04636	0.5
261.05545	0.6
262.06400	0.4
263.07144	1.1
267.03186	0.6
269.04565	0.7
271.02591	0.4
271.06119	1.1
272.06604	0.7
273.06793	0.3
279.06702	0.7
283.06003	0.4
284.03522	0.3
285.03995	0.3
289.04950	0.3
293.04587	1.7
293.12656	0.6
295.05997	0.4
297.07422	0.4
299.05841	0.4
305.04617	7.2
305.08118	0.4
306.05350	5.4
307.06146	9.8
308.06647	0.7
315.07281	1.8
317.04745	1.3
317.07849	0.3
321.04214	0.3
323.05640	0.7
331.04874	0.3
335.05673	23.1
336.06046	2.0
338.04361	1.2
347.05817	0.5
353.06729	0.4
361.16235	0.5
365.06735	8.3
366.07135	1.0
377.06754	0.8
383.06824	0.6
395.07373	0.6
407.07858	0.8
425.08862	100.0
426.09216	10.1
426.13574	0.2
455.09927	9.3
456.10275	1.0
528.20215	0.4
545.13123	83.8
546.13452	10.9
577.13403	0.6
579.17719	0.3
623.19287	2.0
635.19916	0.4
667.17957	1.1
667.35852	0.6
668.16058	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	667.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79006	0.3
59.01271	3.1
60.99192	15.0
71.01271	1.6
73.02840	0.8
78.35878	0.3
83.01270	0.7
85.02850	0.9
86.40129	0.3
88.06919	0.3
88.98698	100.0
89.02316	1.0
89.99042	0.8
93.03367	0.4
98.20540	0.9
101.02358	1.3
108.02124	0.4
109.02840	0.4
113.02322	0.3
117.03369	1.7
119.03395	0.4
119.04940	0.5
122.02396	2.8
123.04410	0.4
125.02366	1.4
135.04477	0.3
137.02354	0.5
148.64499	0.3
149.02370	0.9
151.00298	1.0
152.01126	0.4
161.02388	0.9
163.00386	0.5
163.03960	0.4
165.01884	0.4
165.04044	0.4
167.03534	0.5
173.02382	0.9
175.00359	1.7
179.03346	0.3
208.46964	0.3
269.04730	0.7
281.04718	0.7
282.05344	0.8
283.06174	1.3
293.04630	23.5
294.05032	2.4
311.05734	2.8
312.05801	0.3
323.05649	1.2
341.06754	0.7
353.06891	0.4
413.08826	7.7
413.13672	0.3
414.09451	0.9
457.11398	1.1
459.04691	0.4
472.15378	0.4
499.44699	0.3
548.14557	0.3
577.15735	29.3
578.16107	5.5
595.16907	0.7
667.17987	1.8
668.18408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
57.03338	7.7
59.01269	10.7
61.98711	3.7
65.00213	3.1
65.03843	1.4
71.01268	16.3
71.04895	0.6
71.54251	0.9
72.01574	0.4
72.99191	1.1
73.02837	6.2
75.00787	0.5
81.03328	0.8
83.01274	5.4
83.04920	6.3
85.02837	7.0
87.00772	7.6
88.98715	1.1
89.02338	4.7
93.03358	2.1
95.01275	2.0
95.04921	1.8
96.95905	3.5
97.02856	1.5
98.03630	0.6
99.00784	4.4
99.04422	1.4
101.02347	12.6
103.00219	0.5
103.03912	0.7
107.01299	3.5
108.02094	0.7
109.02842	1.1
109.06472	0.6
111.04436	2.5
111.08071	2.4
113.02354	7.9
113.06000	1.4
116.92761	0.8
117.03384	0.6
119.03465	0.6
119.04943	9.4
119.08577	1.2
120.05277	0.9
121.02917	0.8
121.06506	4.7
122.03661	0.6
123.08080	22.7
124.05238	1.0
125.02366	4.5
125.09654	0.6
127.00254	0.5
129.01848	0.5
131.03348	0.5
133.06531	0.7
135.04433	0.7
135.08057	0.9
136.01509	0.7
137.02367	1.5
137.05965	1.0
137.09621	2.2
138.06775	0.5
139.07587	3.5
143.03464	1.1
145.02872	2.2
145.10194	2.5
149.09612	0.8
151.00313	18.2
151.03914	1.4
151.07600	2.3
152.00778	0.8
153.01863	0.9
153.09184	3.2
159.02917	2.1
161.02449	0.6
161.04514	9.1
163.03975	0.7
165.05559	0.7
169.08746	1.0
169.10178	2.0
171.11745	23.6
172.12048	1.5
175.00397	0.6
175.11235	0.9
177.01917	1.3
179.03526	0.9
179.05573	0.9
179.07066	0.9
185.06033	0.6
187.02357	1.0
187.03844	0.6
189.12813	8.6
190.13161	0.6
191.03438	0.5
201.12819	6.7
207.13858	5.4
209.08293	0.7
219.14047	2.8
237.14986	53.5
238.15349	4.5
253.05067	0.6
269.04565	0.6
269.10364	9.7
270.10687	0.6
271.06198	10.0
272.06570	1.2
281.14011	100.0
282.14352	7.0
291.81863	0.6
325.07394	1.2
337.07068	0.6
339.08426	0.7
343.08261	2.0
355.07797	0.5
355.53671	0.5
357.09549	0.7
367.08435	0.7
371.07626	2.4
372.08218	1.0
385.09238	1.9
386.09967	1.8
387.10620	0.8
401.14612	88.2
402.15070	8.0
501.12363	3.4
582.52020	0.5
621.18365	14.4
622.18683	2.9
633.63690	0.6
665.20679	10.2
665.38354	0.8
666.21118	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	665.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43740	0.6
57.03334	1.3
59.01261	8.7
61.98713	4.1
68.99703	39.6
70.73385	0.6
71.01275	7.9
71.51376	0.6
72.99200	1.2
73.02834	18.5
75.00739	1.3
75.51875	0.5
83.01279	2.0
85.02851	5.0
87.00799	1.4
88.21696	0.6
89.02339	1.3
90.43700	0.6
93.03338	1.0
95.01286	1.5
96.95927	0.9
97.02824	0.7
99.00779	100.0
100.01093	1.9
101.02349	15.0
111.00791	0.7
113.02369	7.6
115.00268	0.9
117.01849	4.9
119.04877	0.8
123.04414	0.6
125.02354	1.2
131.03387	1.2
132.02954	1.0
134.03674	0.6
135.04440	4.8
137.02419	0.9
137.06020	0.9
141.01895	0.8
142.02647	0.7
143.03467	3.0
149.06038	1.5
151.00378	0.9
151.03960	0.9
161.04500	5.3
161.25514	0.6
163.03954	49.7
164.04338	2.4
165.05493	1.7
178.06317	49.9
179.06685	2.9
180.35629	0.6
183.03020	0.8
193.08675	70.4
194.08963	3.2
199.03935	1.5
200.04672	1.2
215.07054	1.0
237.82584	0.6
243.06853	1.4
249.12384	0.8
261.06149	10.3
271.06122	0.6
321.07651	1.0
364.09448	0.8
379.11893	1.1
403.17581	2.8
453.86026	0.7
460.31638	0.9
461.32996	1.4
505.34009	1.7
629.22870	1.0
665.38263	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	665.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53843	1.4
59.01273	8.2
59.72611	1.1
60.20393	1.3
61.98725	2.2
65.03836	2.7
71.01276	1.5
87.00754	1.2
91.05431	8.4
93.03361	2.7
95.48374	1.2
97.02878	1.5
108.02097	5.2
109.02865	31.6
113.09589	1.0
114.79706	1.0
115.67602	1.2
121.02875	26.0
123.04478	1.7
133.02888	3.5
134.03679	7.3
135.04453	67.9
136.04822	2.5
137.06033	1.4
146.03661	1.5
147.04472	12.0
148.05290	2.3
149.05977	1.6
159.04440	2.3
160.05231	1.4
161.02524	1.4
161.06033	4.4
171.08090	1.1
173.06018	5.8
173.56071	1.1
175.07642	2.3
177.09206	8.8
187.07669	2.3
189.09209	15.6
199.07658	2.4
199.13333	2.3
201.09311	1.3
203.07097	2.1
203.10782	18.2
204.11101	1.4
205.08698	1.5
210.06987	1.4
215.07188	1.5
215.10870	3.4
229.20453	1.5
240.41612	1.3
241.04889	1.3
247.09644	1.1
254.05832	1.1
255.06758	3.4
256.07410	1.3
257.08234	8.2
267.06516	1.3
269.08334	1.2
293.08298	1.3
295.09869	1.4
303.10233	2.0
304.10846	1.5
309.11368	2.4
317.11737	1.6
321.11502	6.5
322.12061	2.2
323.12961	2.0
325.14532	32.7
326.14777	3.6
335.12946	3.0
339.12424	13.4
340.12900	1.5
345.11804	1.4
347.12875	1.8
365.27048	5.8
366.27328	5.1
389.17761	5.8
423.12531	1.3
426.14914	3.5
439.15933	1.4
443.15106	2.4
457.16919	1.7
476.77518	1.5
499.21057	1.9
507.21814	4.2
511.21417	2.9
525.22961	3.2
590.34705	2.4
591.35089	4.2
629.25635	11.9
630.26294	2.0
647.26654	100.0
648.26984	23.4
665.27814	68.0
665.38330	3.3
666.27850	13.2
666.38959	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	664.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74593	0.1
54.78144	0.1
59.01265	1.9
60.01598	0.1
61.98718	100.0
62.98415	0.1
69.26789	0.3
69.27204	0.7
71.01281	0.3
85.02874	0.1
87.03445	0.1
89.02355	0.2
98.20560	0.2
101.02356	0.2
113.02369	0.1
228.21445	0.1
277.21857	0.2
278.22195	0.3
279.22632	0.2
342.11545	0.2
344.11786	0.2
497.16562	0.1
604.33508	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	665.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96765	0.5
57.03339	0.6
59.01264	7.2
61.98713	2.3
62.46652	0.5
63.02285	2.6
65.00208	13.1
68.75115	0.6
68.99693	0.6
69.20551	6.2
71.01277	2.6
72.99232	0.5
73.02833	1.4
81.03351	0.8
83.01277	9.2
85.02856	1.5
89.02343	1.7
93.03359	7.4
93.14711	0.6
95.01295	0.9
98.19747	1.2
99.00771	0.6
101.02361	1.7
107.01296	24.2
108.02084	1.7
109.02885	1.1
113.02347	1.4
117.03372	1.3
119.04944	51.2
120.05265	1.4
121.02854	0.8
123.00758	0.7
125.02375	6.2
133.02887	0.8
135.04443	0.7
136.01591	1.8
137.02362	1.8
143.04988	1.2
143.83592	0.5
145.02904	6.2
149.02422	1.8
151.00311	97.8
152.00592	3.0
160.88452	0.5
161.02431	0.9
161.06052	1.2
161.11378	0.6
163.00314	0.8
164.01077	2.1
165.01855	4.6
165.05634	0.6
168.83075	0.5
169.01381	2.1
175.00323	4.1
177.01884	8.7
179.03497	0.7
185.06030	2.4
187.04016	5.0
189.01965	1.0
189.99071	0.7
193.01401	3.7
196.00121	1.1
205.01399	2.0
207.02913	0.6
217.01462	1.3
227.07135	2.3
229.05147	0.9
235.02501	2.6
262.44156	0.7
269.04694	1.4
270.05231	0.8
271.06180	64.5
272.06497	5.2
277.03589	0.7
281.61374	0.7
295.06195	0.8
313.07324	4.8
321.06308	0.6
339.07202	1.2
346.61636	0.6
387.14502	0.7
415.10742	1.0
422.25983	0.6
441.10361	4.3
442.11026	1.0
459.11926	3.2
501.12671	9.5
561.08038	1.0
561.16266	12.2
562.16479	1.5
579.17273	17.5
580.17346	2.6
621.18390	100.0
622.18787	14.4
645.63757	0.6
665.21124	1.0
665.34808	0.9
677.02753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41711	0.5
59.01261	1.4
60.87880	0.4
63.02277	1.4
65.00208	9.6
81.03338	0.6
83.01276	5.9
83.93041	0.5
93.03357	4.7
99.95552	0.5
107.01295	17.8
108.02136	0.7
117.03384	0.7
119.04944	32.5
120.05293	1.1
121.02859	0.7
125.02363	4.2
135.00777	0.6
136.01561	0.8
143.04973	1.4
145.02902	5.1
149.02441	0.6
151.00308	79.2
152.00648	2.8
161.06067	1.0
163.00313	0.5
164.01108	1.8
165.01851	3.5
169.01410	1.4
175.00323	1.5
177.01900	6.1
180.98222	0.6
185.06084	1.6
187.04007	2.2
227.07146	3.1
235.02451	0.8
269.04517	0.6
270.05194	0.6
271.06183	46.5
272.06573	3.7
313.07172	0.6
339.07428	1.5
358.09390	0.5
359.42017	0.5
412.77283	0.5
459.12851	2.1
501.12616	19.4
502.13101	1.6
561.16315	0.7
579.17664	1.9
621.18378	100.0
622.18561	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	663.2618
Annotation	Alopecurone D
Peak:m/z	Relative Intensity
59.01251	10.9
61.76914	2.6
61.98711	4.9
66.91426	2.5
69.00562	2.3
69.38595	15.1
69.39021	7.5
79.36712	2.2
84.43194	2.5
85.50401	2.6
91.05424	6.0
92.66444	2.3
93.03345	4.5
96.95858	3.3
98.12207	2.7
98.19801	4.6
100.66249	2.6
105.06960	2.8
108.02081	5.7
109.02844	28.8
121.02866	18.5
123.04375	5.7
133.02888	5.2
135.04459	56.0
137.02382	3.1
147.04436	9.8
147.08072	3.1
149.06023	18.6
151.00375	2.7
159.04535	4.3
161.02351	6.4
161.06044	3.8
163.07617	4.8
173.06065	8.8
175.07603	5.8
185.05957	3.6
187.03975	5.8
187.07631	7.1
188.04831	4.4
189.05659	6.0
189.09154	7.7
190.06299	7.8
191.07101	3.9
199.07515	4.7
201.05559	7.5
201.09161	7.2
202.06316	3.6
204.07860	3.0
205.08771	4.3
226.06219	3.8
227.07098	2.5
228.04475	2.7
239.07175	5.6
253.08708	2.9
255.06767	10.1
257.08310	15.8
270.05481	4.9
279.10236	2.7
281.71213	2.9
284.06876	3.2
291.06888	4.3
295.13525	2.6
304.07492	4.0
307.06064	4.9
307.09622	4.7
309.07712	4.8
310.08725	3.1
319.09888	3.6
321.11554	5.2
323.09534	5.2
323.13013	14.1
335.09293	4.9
336.10022	5.4
337.10922	10.0
338.11691	10.9
339.12375	35.9
339.15723	3.9
340.12628	4.8
364.09650	6.0
376.09592	3.5
394.10776	6.0
405.17169	6.0
409.12811	15.6
410.13562	4.2
434.24435	2.8
444.12207	9.0
445.13077	39.7
446.13358	5.2
457.12924	24.2
458.13828	19.8
459.13876	3.9
501.19238	40.8
502.19583	6.9
579.20978	2.7
593.18353	7.4
594.19141	9.7
605.21631	4.5
627.24109	5.1
645.24817	26.0
646.25513	4.1
663.25354	100.0
664.25482	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	663.2617
Annotation	Alopecurone D
Peak:m/z	Relative Intensity
54.07311	1.0
57.12204	1.1
59.01251	6.7
59.22724	1.2
61.98705	2.5
65.03848	2.2
67.01778	1.7
71.01266	1.7
79.39400	0.9
91.05429	4.3
97.02838	1.6
98.19799	3.6
100.49432	1.0
105.07033	1.7
107.04910	1.9
108.02102	3.9
109.02860	27.5
110.03223	1.0
119.04939	2.0
121.02896	11.8
123.04488	1.8
123.23975	1.0
133.02869	4.1
133.06566	1.5
134.03668	3.4
135.04453	37.0
136.04802	1.9
137.02419	2.2
146.03667	1.1
147.04442	11.4
147.08124	6.2
149.02383	2.4
149.06009	13.4
157.06543	1.9
159.04431	5.4
160.01646	1.3
161.02414	9.5
161.06035	4.7
163.03920	1.3
171.04411	1.3
172.05301	2.3
173.06010	8.5
175.03975	4.3
175.07603	4.9
177.09003	1.2
185.06117	2.9
187.03969	4.5
187.07599	5.3
188.04773	2.8
189.05537	2.2
189.09198	18.0
191.07123	7.9
192.07864	7.8
197.05968	2.7
199.04129	1.4
199.07657	2.8
200.04765	3.4
201.05568	8.3
201.09235	13.5
203.07104	1.7
205.08742	1.8
213.05574	1.7
213.09235	2.6
214.06386	1.4
215.07178	1.5
216.01927	1.2
224.04884	1.5
226.06358	5.3
227.03568	1.7
227.07173	3.8
229.08711	2.8
239.07176	2.8
241.05177	1.6
252.04333	2.4
253.05064	2.5
257.08246	5.8
257.11877	2.1
267.06671	2.1
269.04611	3.1
269.08286	4.6
270.05386	48.7
271.05722	4.0
281.08179	1.3
283.09814	4.6
284.06985	3.0
295.06061	1.9
295.13474	9.8
296.07126	1.4
306.08865	1.7
307.09741	1.9
309.07773	1.3
311.13062	1.7
317.08157	1.5
321.11392	4.7
323.09494	2.3
323.12939	34.3
324.10019	1.7
324.13293	1.4
331.09970	2.4
336.10062	12.2
337.10895	12.1
338.11499	2.5
339.12427	85.9
340.12820	8.9
353.14127	1.4
423.11694	1.3
429.13589	1.3
440.12769	1.4
444.12262	1.9
457.13229	4.8
458.13901	7.5
459.14307	2.3
467.76532	1.2
527.84985	1.4
568.06262	1.3
576.18109	2.7
594.19202	9.8
645.24780	1.2
663.26227	100.0
664.26776	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	663.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68081	1.8
58.02731	1.9
59.01263	10.0
59.19821	1.8
61.98706	3.4
65.03809	2.3
71.01231	2.2
71.59177	2.6
82.21071	1.8
88.18077	1.8
91.05421	5.9
105.06972	2.6
108.02081	3.1
109.02862	21.3
119.04878	1.9
121.02860	10.4
133.02818	2.7
134.03644	2.1
135.04453	33.4
137.02400	2.0
147.04424	7.2
147.08080	6.5
149.06007	9.6
157.06657	2.0
159.04485	4.5
161.02374	6.3
161.05986	5.2
173.06032	8.6
175.03987	2.3
175.07533	2.8
185.05988	3.2
187.04007	5.3
187.07649	3.9
188.04729	4.8
189.05568	4.0
189.09204	12.3
191.07109	4.5
192.07932	4.2
199.07622	2.0
200.04817	4.9
201.05554	10.4
201.09164	8.5
201.24348	1.9
213.09145	2.3
215.06914	2.9
225.05658	2.2
226.06346	5.5
227.07109	3.0
229.08810	3.3
239.07068	3.3
252.04498	1.9
255.06758	3.2
257.08167	5.1
270.05386	58.0
271.05881	3.4
283.09631	3.5
284.07086	2.5
295.13458	11.0
305.08109	3.3
307.09784	2.2
321.11383	3.7
323.12869	21.9
324.09802	2.4
324.13385	2.5
336.10025	12.3
337.10803	10.9
338.11441	2.8
339.12436	76.9
340.12637	7.6
375.85242	1.8
440.12842	2.7
446.68240	1.8
457.13242	4.3
458.13644	6.7
459.13666	2.4
576.17987	2.6
594.19080	10.4
663.26172	100.0
664.26538	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.5
59.01264	9.0
61.98718	3.9
69.03336	0.5
71.01268	7.9
71.60656	0.5
72.99201	1.2
73.02831	2.6
75.00777	1.6
76.72520	0.5
81.03381	0.6
83.01275	2.2
83.04936	0.5
85.02842	2.9
87.00773	2.0
88.03937	0.5
88.98702	1.1
89.02348	3.1
93.03364	1.0
95.01298	1.6
96.95904	4.1
97.06444	0.6
97.11225	0.5
99.00780	1.6
99.04408	1.0
101.02340	4.7
101.05936	0.5
107.01285	0.8
108.02069	1.1
109.02866	2.4
111.00790	1.0
113.02355	3.5
115.00256	1.0
116.92796	0.8
117.03374	0.6
119.03371	0.7
119.04971	1.9
119.18829	0.5
121.02857	3.2
121.80371	0.5
123.00800	0.5
123.04400	1.3
125.02368	5.1
133.02869	1.5
134.03668	1.6
135.04465	4.9
137.02379	1.8
143.03389	0.9
145.02898	0.8
146.08138	0.9
147.04443	1.1
147.08051	0.5
149.02371	3.3
150.03090	1.0
151.00316	3.0
151.03952	1.8
151.07564	0.6
152.01057	1.0
153.01921	1.2
160.03940	0.9
161.02380	1.6
161.04500	1.8
161.05898	0.5
163.03932	1.1
163.07655	0.8
164.04733	1.9
165.01776	0.6
165.05423	0.8
166.02663	2.0
167.03407	0.8
175.03973	0.7
177.01920	1.7
179.03474	0.7
179.05548	1.0
181.05038	2.9
189.05240	0.5
190.02727	0.7
190.06340	0.6
191.03490	0.6
193.05000	0.9
193.08644	0.6
202.02695	1.0
203.07063	2.1
205.05037	1.9
217.08646	1.3
223.06111	3.5
238.06241	0.6
247.09729	0.6
253.05110	1.2
254.06003	1.0
255.06697	0.5
266.06012	0.9
267.06631	0.9
269.04593	1.1
271.06226	0.9
277.12497	0.6
279.06644	0.6
281.04691	1.3
282.05414	1.9
283.06158	6.0
284.03381	0.9
284.06549	0.9
295.06058	2.7
296.06827	0.9
297.07654	2.4
298.08188	0.6
299.05627	1.1
305.04776	0.5
306.05182	0.6
307.06241	1.1
309.04080	1.9
310.04950	2.3
311.05640	3.8
312.06427	1.1
313.07062	0.6
323.05679	1.7
324.06509	0.7
325.07227	8.7
326.08069	2.8
327.08524	0.7
335.05634	0.6
337.07077	1.2
339.08591	0.7
339.12363	6.4
340.12628	0.7
347.50034	0.5
353.06491	0.6
355.08487	0.7
381.09830	1.1
387.10901	2.1
401.13010	1.2
402.12799	0.8
411.10635	0.7
414.09702	1.0
415.10413	2.6
416.10977	0.7
417.15811	3.9
418.09573	0.5
429.11938	10.2
430.12494	3.3
431.13083	0.8
457.15286	2.7
471.16666	1.2
485.14642	7.2
486.15134	1.2
488.13071	0.8
489.13849	1.1
499.16364	2.6
500.16818	3.4
501.17838	3.3
520.12244	1.4
552.90521	0.6
573.18939	0.6
593.19092	1.3
609.28644	0.6
616.29370	1.6
632.79639	1.7
633.30560	0.7
633.80231	0.7
663.23083	100.0
664.23346	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50766	0.4
54.55398	0.4
57.03339	2.6
59.01258	6.2
61.98716	6.8
63.02288	2.4
65.00208	16.1
66.14577	0.4
68.99677	0.5
71.01273	3.3
71.60030	1.0
73.02829	1.2
76.23708	0.5
81.03349	0.6
83.01273	9.3
85.02847	2.3
87.00755	0.8
89.02328	1.3
93.03356	7.2
95.01290	0.8
99.00786	0.9
99.04414	0.5
99.92486	0.9
101.02335	2.7
101.05994	2.9
105.01821	1.4
107.01290	25.0
108.02073	1.4
109.02853	1.8
113.02328	1.8
116.92003	0.8
116.92767	10.0
117.03360	1.8
117.92789	0.7
119.04940	45.4
120.05273	2.7
121.02824	2.6
125.02363	8.3
133.02835	1.2
135.04469	3.6
136.01572	0.7
136.04837	1.1
137.02354	1.3
143.04973	1.6
145.02895	5.7
149.02353	0.9
149.05942	0.6
151.00302	100.0
152.00650	3.8
157.06448	0.5
160.03912	0.7
161.02376	0.6
161.04581	0.8
161.06029	1.7
163.00270	1.2
163.03914	0.7
164.01080	1.1
165.01871	4.2
169.01379	3.9
175.00316	2.0
177.01898	9.7
178.02283	0.5
185.06081	2.2
187.03943	3.7
189.01826	0.5
189.05605	0.5
190.02872	0.5
191.07085	1.0
193.01399	0.8
196.00107	1.4
203.07152	0.7
205.01450	0.6
205.05183	0.5
217.01534	0.5
226.06242	0.5
227.07149	3.2
229.05093	1.0
233.11778	0.5
238.43454	0.5
241.05060	0.5
241.25696	0.4
253.05081	1.1
269.04675	1.1
269.08075	0.5
271.06171	49.5
272.06445	3.6
313.07275	1.1
339.07385	2.3
355.15613	1.5
356.15851	2.0
357.16245	1.9
379.10373	0.6
395.11227	0.8
459.13068	2.2
501.88226	0.6
519.20575	0.6
543.17340	19.2
544.17548	2.0
561.15930	0.7
663.23090	92.1
664.23431	19.0
669.32184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80798	0.3
53.25555	0.3
55.01766	0.6
57.03322	1.2
58.00484	0.6
59.01264	13.8
61.98716	3.5
69.03307	0.5
71.01272	8.5
71.04893	0.4
72.01583	0.4
72.99184	0.9
73.02824	2.1
75.00758	1.0
80.26697	0.3
81.03290	0.4
83.01267	1.7
83.04890	0.3
85.02853	3.3
87.00759	1.8
89.02335	3.9
93.03342	0.9
94.98005	0.6
95.01279	0.9
96.95914	2.6
99.00753	1.7
99.04401	0.6
101.02353	4.6
103.78976	0.4
107.01223	0.3
107.93589	0.3
108.02084	0.7
109.02891	1.0
113.02354	2.8
116.92788	0.8
117.03357	0.7
119.03393	1.0
119.04928	1.0
121.02868	14.2
122.03172	2.7
123.03364	0.4
123.04424	0.4
125.02401	2.5
132.02113	0.4
133.02855	0.9
134.03664	5.5
135.02972	0.3
135.04384	1.6
137.02365	1.8
143.03415	1.3
145.02890	0.7
147.00838	0.5
148.01601	1.5
149.02365	1.2
149.05974	1.0
150.03137	0.5
151.00285	1.3
151.03947	0.9
152.01097	0.7
159.04347	0.4
160.01588	1.0
161.02368	1.0
161.04480	0.8
163.03934	0.9
164.04811	0.3
165.05473	0.5
174.03249	0.5
175.03952	1.1
177.01878	1.0
179.07173	0.4
181.05127	0.4
187.52798	0.3
191.03360	0.4
193.05043	6.2
194.05510	0.4
202.02730	1.0
203.03500	1.0
211.07613	0.6
214.02733	0.4
217.08723	0.7
223.06026	0.6
225.05493	0.8
229.55276	0.5
237.05617	0.5
238.38921	0.4
239.07100	1.1
241.04744	0.4
251.07034	0.4
253.04959	0.8
255.06606	1.7
265.04926	0.5
266.05954	0.5
267.06619	1.6
269.04587	1.2
271.06009	0.7
282.05234	0.5
283.06232	2.8
284.07166	0.4
285.03790	0.4
287.05518	0.5
295.06149	0.7
296.03268	1.0
297.04056	0.6
297.07501	0.4
298.04602	0.4
298.08362	0.6
299.05475	0.4
307.02182	0.4
310.04880	1.4
311.05652	5.9
312.06442	13.6
313.07028	1.9
322.04865	0.9
323.05676	3.7
324.06372	2.7
325.07123	2.7
326.07950	1.8
327.08774	4.6
328.09091	0.8
337.07251	2.1
339.08749	2.4
339.12411	0.8
340.06018	0.7
341.06500	0.5
344.05292	0.5
350.07941	1.5
351.08667	0.7
352.09647	0.5
355.08377	1.6
358.07147	3.0
364.09433	1.0
365.10226	0.9
368.09009	1.3
379.11908	0.9
380.09030	1.7
383.11450	2.4
394.10562	0.6
395.11459	2.6
397.13220	2.2
398.09845	0.5
409.12875	1.4
413.12512	3.1
431.13574	4.3
453.15857	0.5
465.15417	0.9
473.14423	0.9
483.16818	1.2
526.24921	0.4
575.17059	0.4
577.15753	1.0
578.16534	0.9
593.18707	1.0
619.33160	3.9
645.21729	0.8
648.20856	1.3
663.23071	100.0
664.23425	16.4
664.32043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42752	0.1
57.03320	0.3
59.01256	0.6
64.06023	0.1
65.00224	0.8
65.02989	0.1
70.25244	0.5
71.01276	0.4
73.02831	0.1
82.95310	7.2
83.02402	100.0
84.00809	3.7
84.01923	3.9
84.02706	1.4
89.02335	0.1
93.03352	0.3
99.04381	0.3
101.02332	0.3
107.01304	1.5
107.64337	0.1
119.04945	2.1
123.04440	0.2
125.02355	0.7
143.04944	0.2
145.02812	0.3
146.03714	0.1
151.00311	6.3
152.00635	0.2
161.05992	0.2
165.01886	0.2
167.03462	0.4
168.49255	0.1
169.01399	0.2
171.08052	0.1
175.00468	0.2
177.01820	0.6
185.07172	0.4
187.03902	0.1
227.07083	0.2
235.02478	0.2
271.06152	4.7
272.06451	0.2
295.06091	0.2
313.07272	0.2
339.07620	0.1
339.12112	0.2
435.79224	0.1
459.11569	1.1
485.51981	0.1
579.17310	13.1
580.17621	1.1
603.17456	0.2
621.18518	0.5
645.19397	0.3
646.18982	0.2
663.19800	0.4
664.19324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.03329	1.0
59.01263	11.1
61.98701	1.6
63.55935	0.3
69.03310	0.4
69.56655	2.6
70.65269	0.3
71.01266	5.8
72.99203	1.2
73.02836	2.1
75.00757	0.7
83.01273	3.3
83.04901	0.4
85.02853	2.4
87.00771	0.9
89.02344	2.8
93.03363	2.5
95.01317	0.5
96.95911	5.8
98.19835	0.8
98.95493	0.4
99.00780	1.5
99.04420	1.1
101.02350	4.7
108.02079	0.5
109.02847	0.9
113.02361	2.1
115.00329	0.4
116.92762	1.6
117.03376	14.1
117.05490	5.6
119.03419	0.9
119.04919	1.7
123.04416	0.4
125.02348	1.2
125.06033	0.4
127.00273	1.3
131.03467	0.5
131.07039	0.6
135.04408	1.0
136.01587	0.5
137.02391	2.6
139.07568	0.5
143.03441	0.6
145.02890	1.3
147.04384	0.5
149.02377	0.7
149.04564	0.4
150.03128	0.4
151.00363	0.5
151.03906	1.8
151.07610	2.0
152.01120	0.6
152.04672	1.0
153.01892	0.4
161.02373	2.0
161.04492	0.7
163.03952	1.3
165.01862	4.0
165.05458	0.4
165.09148	0.5
167.03552	0.4
171.04559	0.6
173.02374	5.1
175.00325	0.6
175.02512	0.3
175.03903	0.5
177.05548	0.6
179.03453	1.0
179.07092	0.7
180.04291	2.1
181.04866	0.4
185.02419	2.7
187.02434	0.5
187.03949	3.2
189.01895	2.4
190.02397	0.4
191.03583	0.5
195.06602	5.7
197.02444	1.7
197.04425	0.4
201.01910	1.1
203.03487	0.7
209.08252	0.6
211.04066	0.4
212.06879	2.0
215.03508	3.3
217.01428	3.9
225.07652	1.3
227.03461	0.7
227.09253	3.9
234.11436	0.5
235.07584	0.5
241.01503	2.3
261.05539	0.6
263.07205	0.7
269.04593	0.7
271.02521	0.5
277.04904	0.4
279.06619	0.6
293.04645	1.3
305.04648	4.7
305.08151	0.5
306.05353	3.9
307.06165	8.3
308.06528	1.2
309.07687	0.7
311.05762	0.6
317.04620	0.9
322.04645	0.4
323.05615	0.4
323.14978	0.5
335.05698	26.0
336.05984	3.1
337.06631	0.4
338.04361	1.0
343.11887	0.6
347.05606	0.9
353.06531	0.7
363.05078	0.5
365.06686	6.4
373.09232	1.5
373.13162	1.2
377.06924	0.5
383.07385	0.4
407.08124	0.6
425.08859	91.1
426.09180	11.3
435.16660	0.8
455.09851	1.2
457.15048	0.8
503.21555	0.6
545.13135	100.0
546.13464	15.3
573.16125	0.9
632.80530	2.1
633.30377	0.7
645.39008	1.3
654.39154	0.4
663.19305	6.0
663.31030	1.3
664.19415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
57.03339	0.5
59.01262	11.5
59.58568	0.3
61.98714	2.0
69.03336	0.3
71.01273	5.2
72.99202	0.7
73.02839	2.3
75.00783	0.3
83.01285	1.3
83.04935	0.3
85.02834	2.0
87.00774	0.9
89.02343	0.9
89.03852	2.0
91.69764	0.3
93.03349	0.7
95.01283	0.8
96.95891	1.0
97.02845	0.4
99.00765	0.8
99.04399	0.4
101.02351	3.2
106.04123	0.6
107.46941	0.4
108.02065	0.4
109.02840	0.7
113.02361	2.1
117.03392	4.7
119.03456	0.4
119.04965	1.0
121.02851	0.5
124.03947	0.5
125.02389	1.7
126.99494	0.9
127.03963	0.4
132.02107	2.0
134.03665	74.3
135.03935	2.7
137.02362	1.3
137.27260	0.3
139.03944	0.7
143.03423	0.6
145.02936	0.4
149.02417	0.3
149.06020	6.1
151.00342	0.7
160.01616	7.6
161.02408	0.5
161.04489	0.9
163.03854	0.4
163.06081	0.4
164.04701	0.4
166.09779	0.6
167.03433	0.4
175.03967	10.8
176.04312	0.5
178.02670	1.3
193.05040	100.0
194.05377	4.4
197.98409	0.3
237.07716	0.3
240.61871	0.3
269.04507	0.4
269.10379	1.1
271.06259	0.6
308.06586	0.6
309.06735	0.4
312.09741	0.4
317.34726	0.3
333.22519	0.4
339.12344	0.4
350.11295	0.4
351.12125	0.3
383.13666	1.5
401.14865	0.4
405.73700	0.4
408.12198	0.5
409.12738	0.5
410.12866	0.6
443.15912	0.6
543.17944	0.7
555.18500	0.4
572.18781	2.0
573.10620	0.5
573.19049	6.6
577.32275	0.9
583.89691	0.3
619.20453	4.3
619.33344	3.4
620.19958	0.5
645.21100	0.6
663.22491	4.0
663.36200	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	661.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.8
57.03319	1.8
58.00479	1.9
59.01263	51.9
60.01606	0.7
60.68694	0.8
61.98707	1.9
69.45135	5.7
71.01270	48.8
72.99199	4.3
73.02831	2.4
78.95794	1.7
80.96399	2.0
83.01278	4.3
85.02852	8.6
87.00767	11.7
89.02338	49.1
95.01284	2.7
98.20556	0.9
98.45708	0.7
99.00762	0.9
101.02345	23.7
109.02863	1.8
109.38692	0.6
113.02354	21.7
119.03413	18.5
121.02867	1.5
124.50965	0.8
125.02367	1.8
131.03419	2.3
133.02954	0.7
135.04451	3.6
137.02409	1.1
141.01866	0.9
143.03447	7.9
143.79781	0.8
149.04466	1.6
152.99489	0.9
161.04517	8.9
162.04640	0.7
179.05563	21.0
180.05928	0.8
255.06427	1.1
269.04816	1.2
273.22437	0.8
277.21780	100.0
278.22159	9.4
291.23172	3.3
301.21915	1.1
319.22934	3.6
323.09879	30.7
324.10260	1.6
325.14600	1.2
327.11395	0.8
329.74017	0.8
335.09332	2.4
337.10632	0.9
341.10956	61.3
342.11273	4.0
577.26953	3.1
579.26935	0.8
601.32562	19.5
602.32697	3.9
618.36157	0.8
643.23456	2.0
661.24341	7.0
662.25543	1.4
662.35974	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	662.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
59.01263	11.2
61.98717	11.2
68.55013	0.7
71.01262	8.3
71.51513	1.3
72.00780	1.8
73.02841	3.4
73.10808	0.7
74.02348	2.5
74.22539	0.7
80.04959	1.1
81.03361	0.8
82.02861	2.2
82.06522	0.8
83.01276	1.1
85.02842	3.9
87.00771	1.2
89.02315	2.8
89.42589	0.7
93.03370	4.5
95.01276	0.9
96.95914	3.7
97.02869	1.1
99.00775	1.8
101.02353	4.3
102.87258	0.6
108.02068	1.2
109.02852	1.1
109.03997	3.8
111.00751	0.8
111.01938	0.8
112.07572	1.5
113.02356	3.3
116.04972	4.5
117.03347	1.1
118.06527	3.1
119.03428	1.2
119.04948	12.7
121.02885	1.6
122.02371	0.8
125.02349	2.5
127.04050	1.3
127.05054	18.1
128.03459	0.8
129.01830	0.8
129.10252	16.8
130.08644	1.1
134.03658	0.6
134.06032	2.7
135.04410	2.9
136.07590	0.7
137.02348	1.9
139.07642	0.6
139.08687	2.0
140.07080	2.2
143.11798	1.2
145.02882	1.6
149.06049	0.7
150.03085	1.0
151.00253	1.8
151.07582	1.0
152.01091	1.0
155.08214	11.7
160.03958	1.0
161.02394	1.1
161.04453	1.6
162.05598	1.3
163.03986	6.0
165.05396	3.7
167.08229	1.1
169.09792	1.2
179.03473	1.3
179.11859	1.4
180.06635	18.0
180.10237	2.0
181.07010	0.8
187.05078	3.6
189.06743	0.8
193.04996	1.0
195.11322	0.9
197.12770	0.8
197.83702	0.8
205.62086	0.7
213.13945	4.6
217.12325	0.8
218.97435	0.7
220.10995	0.6
222.12445	7.2
223.10812	2.7
230.08237	0.8
230.31831	0.6
240.13512	2.9
241.13609	1.1
247.14671	1.5
249.16083	7.8
256.14572	1.8
257.10431	1.1
257.12982	12.3
258.13351	1.4
259.14624	1.0
269.04666	1.7
269.10437	0.7
270.05093	0.8
271.06107	2.8
275.14090	2.4
279.12192	1.0
285.04153	1.0
293.15134	10.2
307.06171	0.8
309.19614	1.5
377.18753	1.0
401.14511	0.8
406.38379	0.7
414.12790	1.0
421.17847	2.6
425.08661	1.4
438.20401	4.8
441.15039	0.8
481.24667	1.2
572.18854	5.1
619.32629	1.5
644.30640	1.3
661.38452	1.3
662.32007	100.0
663.21381	1.7
663.32251	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	661.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38626	0.2
51.59049	0.2
55.01763	1.4
57.03338	1.3
58.00483	2.1
59.01264	44.6
60.01595	0.4
61.53643	0.2
61.98706	1.1
62.29205	0.2
68.99696	0.5
69.03345	2.8
71.01270	43.1
71.52225	0.4
72.01595	0.5
72.99194	3.9
73.02834	6.8
75.00773	1.0
81.03354	1.9
82.87054	0.2
83.00816	0.3
83.01276	4.9
83.04914	0.8
85.02842	9.4
85.99992	0.6
87.00770	10.9
87.04385	0.3
89.02337	35.3
90.02666	0.5
91.03902	0.8
93.03343	0.5
95.01290	2.9
95.04968	0.3
96.95889	0.5
97.02854	7.0
99.00784	2.9
99.04417	0.6
101.02345	35.9
102.02679	0.6
103.00273	0.4
103.03891	0.4
107.04932	0.3
109.02860	0.9
111.00784	0.7
111.04401	1.3
112.01530	0.3
112.67794	0.3
113.02356	18.7
114.02679	0.4
115.03925	0.8
119.03419	12.2
120.03646	0.2
121.02879	0.9
123.00785	0.5
124.01567	0.5
125.02367	15.7
126.02755	0.4
127.03935	0.6
131.03439	1.6
133.05009	1.0
135.04448	0.3
139.03928	1.1
141.01852	0.8
143.03435	7.2
149.02377	0.4
149.04448	1.3
152.99513	0.3
161.04498	8.1
163.03925	0.3
167.03435	1.2
169.05000	0.5
171.02975	0.4
175.06056	0.2
179.05568	8.0
185.04517	0.7
191.03487	0.2
199.06116	0.6
203.05544	0.6
217.07146	1.6
219.05144	0.5
219.21278	0.3
221.06648	2.3
235.08250	17.1
236.08612	0.7
245.06674	1.1
245.19246	0.4
253.09349	4.0
259.08411	0.3
261.18631	0.5
263.07843	1.8
263.20212	97.8
264.20547	7.9
277.09241	1.4
277.21753	0.5
287.07736	4.4
290.63968	0.2
305.08859	5.4
321.11343	0.3
323.09781	2.0
323.13043	0.3
361.11612	1.1
379.12564	1.4
397.13586	100.0
398.08560	0.3
398.13892	7.3
415.14655	38.8
416.15002	2.6
427.92188	0.2
535.31769	0.2
661.24194	0.9
678.39496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.5
61.98727	1.9
65.03841	3.3
67.01765	1.1
69.34948	12.4
70.68274	1.2
76.72356	1.1
78.64774	1.2
78.95794	3.2
91.05419	12.3
93.03339	2.2
104.15369	1.2
105.70619	1.4
108.02068	3.2
109.02859	50.9
110.03193	1.8
121.02877	18.7
134.03679	1.5
135.04448	93.7
136.04762	2.8
140.12570	1.2
147.04468	7.0
149.06035	1.9
152.99452	2.6
160.05226	1.3
161.06024	2.3
173.06006	4.4
174.06744	1.7
175.07500	3.9
187.07640	7.0
188.08351	1.7
189.09229	9.6
199.07603	5.2
200.08369	4.5
201.09219	13.0
211.07721	1.7
213.09193	5.4
215.10739	14.6
216.11162	1.3
237.51688	1.3
250.07016	1.3
257.08130	5.4
277.12369	1.2
282.09235	1.4
297.11319	5.0
304.10995	1.6
307.09769	3.6
319.13278	2.4
322.12158	3.3
323.12943	91.8
324.13235	7.9
337.14517	100.0
338.14816	11.8
579.28381	1.5
626.29553	1.3
661.28162	54.6
662.28552	12.4
689.01105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
55.24562	0.6
57.03338	2.2
59.01268	16.6
61.98711	3.7
65.14241	0.7
69.33221	7.3
71.00896	1.3
71.01268	17.7
72.99203	6.0
73.02841	4.7
75.00762	3.2
78.95789	1.6
81.03341	0.7
82.02866	0.9
83.01274	7.6
84.05250	0.6
85.02856	4.9
85.48037	0.6
87.00782	3.5
88.98672	0.8
89.02338	15.2
93.03380	0.8
95.01253	0.7
95.04945	0.8
96.95923	5.1
97.02856	0.9
98.20543	1.3
99.00777	16.5
99.04398	0.9
100.01588	3.2
101.01705	1.0
101.02350	14.8
108.02071	3.1
109.02858	1.9
111.00793	12.0
113.02355	5.5
113.99501	38.8
115.00317	9.9
116.69482	0.6
116.92741	0.9
117.03373	2.4
119.03407	2.1
121.02837	3.4
123.04434	0.9
125.02336	3.6
127.00272	2.1
128.01045	3.8
129.01836	1.3
131.03429	3.0
135.04411	1.3
137.02397	1.4
139.00327	1.0
148.88292	0.7
149.02419	1.4
149.04474	7.3
152.01102	2.4
153.01903	2.5
156.00587	59.5
157.01448	3.4
161.02368	1.3
161.04495	2.3
165.01863	1.4
165.05559	0.9
167.03389	0.8
173.04555	0.8
174.01654	100.0
175.02301	6.6
177.01918	1.1
179.03467	1.5
181.04987	0.9
191.05504	3.2
194.05821	1.8
195.06647	1.2
203.03525	0.9
209.04547	2.1
209.08176	2.6
221.10329	2.0
225.07712	1.0
226.07907	0.8
249.14967	1.6
251.07487	0.8
253.05099	0.8
271.10077	0.9
289.09412	2.4
293.04645	0.7
293.71826	0.8
305.04892	0.9
307.06131	1.3
313.08279	0.8
315.07285	1.2
335.05612	4.7
365.06494	1.3
376.11993	2.7
377.12219	4.8
425.08881	10.6
426.09326	2.0
429.22086	1.0
439.12360	1.0
497.16397	1.9
499.33029	1.0
531.24579	1.8
543.24695	9.7
544.25049	1.0
545.13043	11.6
545.26019	1.0
546.13824	1.9
561.25610	26.7
562.26343	4.5
599.27185	1.2
601.25153	27.5
602.25781	2.8
613.26093	0.8
629.16559	2.3
643.16589	0.9
643.25787	3.5
661.27167	9.0
662.17523	0.8
662.26483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73697	0.3
57.03375	0.4
59.01328	3.5
61.98785	0.9
70.11220	1.4
71.01346	3.6
73.02917	1.1
75.00842	1.1
83.01351	0.5
85.02936	0.9
87.00835	0.6
89.02429	1.1
93.03439	0.6
96.95981	0.6
99.00832	0.4
101.02370	1.7
108.02225	0.5
109.03004	0.4
113.02460	1.0
117.03457	0.5
119.05048	0.6
121.02937	0.3
123.04521	0.3
125.02441	0.7
132.02054	1.6
134.03816	0.3
135.04521	0.4
135.52872	0.3
137.02473	0.3
139.04005	0.3
149.02515	0.3
161.04614	0.5
163.04056	0.3
163.06157	0.3
165.09175	0.4
177.01971	0.3
182.88123	0.3
189.01993	0.4
201.02008	0.6
202.02692	0.5
203.03593	0.3
213.01949	2.3
214.02737	0.5
225.05573	0.4
227.03540	0.4
237.05681	0.4
239.07349	1.2
241.05246	0.4
251.07326	1.0
252.04404	0.3
253.05200	0.5
256.07428	1.5
257.08115	0.4
262.06491	0.5
263.07281	1.0
265.05316	0.8
266.05862	0.6
267.06796	1.2
268.68893	0.3
269.04868	0.3
271.06323	0.6
275.07349	0.6
277.05109	0.4
278.05957	0.8
279.06805	1.0
280.03949	0.9
281.04755	1.2
282.05447	0.6
291.06808	0.3
291.10138	0.3
292.04126	0.3
293.04791	1.4
293.12000	0.6
294.05347	1.3
295.06177	7.0
296.06812	0.7
297.07758	0.8
305.08911	0.3
305.12024	1.2
306.05420	1.9
307.06189	18.4
308.06558	1.6
309.07828	0.5
310.53201	0.3
312.06519	0.4
317.08466	0.3
319.06277	1.7
321.11472	1.0
323.05774	0.6
324.06607	0.5
325.07474	0.9
328.06039	0.5
331.09821	0.4
332.10492	0.4
335.05737	1.3
335.09436	1.1
336.10168	1.3
337.07169	0.6
337.10812	3.6
338.11288	0.3
342.07742	0.3
347.05634	1.3
347.09445	0.4
348.06607	0.3
348.09814	1.3
349.10806	3.2
350.11630	7.3
351.12213	1.7
353.06775	0.8
361.10880	1.5
362.11661	1.3
363.08804	0.4
363.12549	0.8
364.13290	0.3
365.06729	1.7
377.10345	1.4
378.11172	4.6
379.11911	2.5
380.12643	0.9
382.10559	0.5
387.57211	0.3
389.10406	0.9
390.11078	3.5
391.11945	5.4
392.12537	0.8
395.11621	0.5
408.12247	23.8
409.12830	6.3
410.13574	0.4
413.12543	3.9
414.12924	0.9
420.12170	1.6
421.13193	0.4
422.13840	0.6
469.11569	0.4
498.34848	0.3
499.15567	1.3
500.16718	0.4
511.16217	1.3
513.17438	1.5
525.17896	0.5
541.17273	13.1
542.17609	1.5
544.16492	0.7
553.17224	4.0
554.17810	0.6
555.18573	0.6
571.18323	100.0
572.18646	14.4
579.18719	0.4
583.18237	3.2
584.18652	0.7
585.19977	2.1
601.19434	5.2
601.35852	0.8
602.19916	0.8
607.18500	0.8
617.38489	0.5
625.19659	2.5
626.19574	0.4
643.20404	5.1
643.37018	0.5
644.20575	0.5
661.21472	31.0
661.37543	1.4
662.21918	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	659.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59948	0.3
57.03325	0.4
59.01264	8.9
61.98716	2.1
71.01267	5.8
72.99200	0.7
73.02834	3.4
83.01266	1.4
85.02837	1.3
87.00774	1.0
88.98738	0.3
89.02332	3.4
93.03342	0.3
95.01295	0.5
96.95881	0.4
99.00795	0.8
99.97282	0.3
101.02349	4.4
103.00237	0.4
108.02783	0.3
108.70240	0.3
109.02848	0.7
113.02340	1.8
119.03414	1.2
123.00779	0.3
123.07918	0.3
125.02354	0.5
131.03415	0.5
133.02866	0.7
134.03696	0.3
135.04434	0.9
137.02356	1.1
137.06006	0.7
143.03410	0.4
145.02870	0.5
149.04443	0.5
151.00224	0.7
161.02426	0.7
161.04504	0.9
162.03200	0.8
163.03923	0.3
164.04604	0.3
167.03566	0.3
178.22545	0.3
179.03423	0.7
179.05598	0.7
185.05928	0.3
204.98286	0.3
205.01480	0.7
208.18909	0.3
209.11847	0.3
211.13377	1.8
227.03421	0.3
253.57454	0.3
254.05768	0.4
268.02222	0.8
281.04565	0.4
282.05420	0.6
283.06284	0.3
294.05508	0.5
295.06177	0.6
296.06927	0.5
297.12457	0.4
307.06186	0.6
311.05606	0.3
312.06256	0.8
323.05646	0.7
323.10577	0.5
324.06284	0.3
325.07309	0.5
335.05832	0.5
335.09216	0.6
336.06390	0.6
337.07199	1.2
340.06021	0.3
344.05273	0.5
351.12445	0.4
352.09457	0.6
353.06497	0.5
353.10388	0.7
354.07422	0.7
355.08231	1.6
365.06573	0.4
365.10550	0.5
367.08148	1.4
377.09903	0.3
378.11118	0.8
379.11945	0.5
386.06427	0.5
393.13666	2.0
394.10172	0.4
395.18707	0.4
409.13010	0.6
423.18192	2.2
435.18289	4.3
436.18668	0.7
437.19830	0.7
447.22202	0.3
449.19684	0.9
451.17706	0.7
453.19348	11.6
454.19745	1.7
461.32660	1.6
463.17633	0.7
464.18164	0.4
465.19315	1.3
466.20102	1.3
467.20889	5.1
468.21722	0.6
477.19470	2.0
478.19666	1.4
479.21182	0.6
479.33847	0.3
481.18774	18.3
482.18967	3.5
483.20270	0.5
495.20355	14.0
496.21075	9.6
497.21762	3.2
615.20728	1.6
627.25098	0.7
629.26257	0.4
641.26434	0.6
659.27258	100.0
660.27612	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01265	11.9
59.03545	0.5
61.98719	23.9
62.98421	0.4
65.03845	1.0
69.03329	0.4
71.01266	5.0
71.59690	0.5
71.60086	0.5
72.99170	0.8
73.02837	1.1
75.00755	0.5
81.05296	0.4
83.01266	1.5
85.02853	1.8
86.43255	0.5
87.00770	1.2
89.02340	2.7
91.05418	2.5
93.03346	1.7
95.01292	0.6
96.95914	3.0
97.02862	0.5
98.95476	0.6
99.00748	0.6
101.02345	2.6
107.04903	0.5
108.02065	1.1
109.02143	0.9
109.02868	15.1
111.04511	0.5
113.02354	1.9
119.03410	0.6
119.04916	0.7
121.02868	3.8
123.04478	0.6
125.02377	2.4
133.02840	0.9
134.03633	0.5
135.04451	27.6
136.04831	1.0
137.02383	1.7
137.06023	1.5
145.02859	0.5
147.04459	3.3
149.02373	0.7
149.06027	0.8
151.00293	0.9
151.03975	0.6
161.02429	0.8
161.04593	0.9
161.05974	1.0
165.05446	0.5
169.12265	0.6
173.06036	1.2
175.03954	0.4
175.07576	2.4
177.01917	0.5
179.05609	0.7
179.07274	0.4
189.05508	0.5
189.09134	0.5
191.07185	0.5
199.07628	0.7
201.09221	4.5
206.80037	0.4
209.11882	0.8
213.09195	1.9
228.04170	0.4
247.13478	1.1
253.05148	0.6
253.12521	0.5
254.05873	0.6
255.14006	0.5
269.04620	0.7
273.15051	2.2
275.12955	0.9
279.14127	0.6
281.12006	1.0
283.02441	0.5
283.05762	0.5
305.11902	1.1
323.12952	11.3
324.13297	1.2
335.05603	0.5
348.10159	0.7
349.10919	0.6
359.08981	0.5
377.17532	0.9
379.08148	0.6
395.18716	100.0
396.19077	12.3
419.14597	0.5
437.15936	2.3
453.18573	0.5
481.17850	0.5
523.15179	0.5
599.21326	9.2
600.21948	1.7
615.35699	1.0
630.62689	0.5
658.38672	0.6
659.25623	4.7
659.39075	2.9
660.25763	1.2
660.39911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	27.5
61.98703	1.0
68.59270	0.3
71.01268	1.1
71.51637	0.4
71.76321	0.3
73.02837	0.6
78.95810	2.0
83.01246	0.3
87.00745	0.5
93.03339	0.4
95.01288	0.3
96.95913	0.7
96.96838	0.8
99.00776	0.4
101.02335	0.5
109.02838	2.0
113.02357	0.7
119.04932	0.5
123.00813	0.3
125.02351	0.5
135.04483	0.4
137.02368	22.3
138.02699	0.9
139.00308	0.6
151.00285	0.8
151.03943	1.0
152.01126	0.6
152.04733	16.6
152.91473	0.3
153.01903	0.4
153.05077	1.0
161.02371	0.3
161.04468	0.4
165.01859	0.9
166.02623	1.1
167.03351	0.4
167.07069	4.6
177.01974	0.4
179.03418	1.2
180.04227	0.7
183.92976	0.3
184.03740	4.0
194.05785	1.1
195.06609	1.0
197.02771	0.2
197.04523	5.6
199.00760	0.3
209.08180	1.2
212.06891	44.2
213.07207	2.1
216.76418	0.3
225.07645	1.5
227.09250	100.0
228.09575	6.2
241.10658	0.4
245.08195	0.3
260.26346	0.3
271.06076	0.4
293.04739	0.5
377.16190	0.5
389.16211	1.7
437.18237	62.5
438.18585	7.2
500.88531	0.3
659.14557	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83483	0.5
51.37032	0.5
52.23014	0.5
55.01768	0.7
57.03338	1.8
59.01263	12.6
61.98714	3.0
68.99716	0.8
69.03343	1.0
71.00491	1.0
71.01267	8.8
72.99209	2.2
73.02827	3.1
75.00765	1.1
81.03362	0.6
83.01291	2.1
85.02836	5.1
87.00777	9.1
89.02345	2.3
93.03345	0.6
95.01281	1.9
96.95897	1.3
97.02859	0.6
99.00793	2.6
101.02340	4.6
105.01823	0.8
108.02078	53.6
109.02899	8.8
109.06470	0.6
113.02353	4.8
119.03406	1.7
119.04942	1.3
121.02903	1.7
122.03723	1.0
123.00780	1.7
123.04443	1.6
125.02364	4.7
130.99837	3.0
131.03432	0.6
133.02873	1.2
135.04463	3.9
136.01573	0.6
136.05214	1.8
137.02348	0.8
137.05998	1.2
139.03961	0.7
143.03421	1.1
145.02911	1.0
149.02373	0.6
149.06027	1.3
151.00282	1.4
151.03951	1.9
151.07556	0.5
152.01096	100.0
153.01637	4.8
153.05566	0.6
161.02350	0.9
161.04500	1.8
161.05998	0.6
162.72940	0.5
163.03957	5.6
163.07536	0.8
165.05528	1.8
166.05869	0.5
167.03336	0.5
169.06546	6.8
170.07327	3.6
171.10194	0.6
175.04051	0.9
177.01881	2.3
179.03441	1.4
179.05573	0.8
183.13872	0.6
185.09697	14.4
186.09958	0.8
187.03978	0.6
195.04517	1.0
201.05565	0.6
203.07034	0.5
207.02968	1.8
211.07695	1.4
211.13342	2.0
217.08737	0.6
229.08698	8.9
229.14449	1.0
253.04997	0.6
254.04251	3.2
271.06070	0.7
287.05640	0.7
295.05911	0.5
305.08832	0.6
308.06888	0.6
315.07211	2.1
329.23370	9.5
365.10410	2.7
366.10742	0.8
377.10168	0.7
379.11859	1.7
391.11865	1.0
393.09735	3.1
394.10327	1.5
395.11197	1.8
396.11954	0.7
407.11368	2.5
408.11823	2.5
409.12866	1.7
411.10104	0.8
429.05014	1.0
429.10483	13.4
429.16248	0.8
430.10510	1.2
437.16229	0.7
447.11533	15.5
448.11990	1.4
450.32870	0.6
451.33365	0.7
453.15579	0.8
454.15942	1.7
455.16318	2.8
495.32468	0.6
496.33273	1.2
571.18298	13.4
572.18512	2.4
599.20862	0.7
614.39203	0.6
615.37543	3.6
658.39246	5.1
659.19818	88.3
659.38220	6.4
659.78955	0.7
660.20227	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	659.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.2
59.01265	45.3
61.98716	10.1
68.99706	1.6
71.01266	19.4
71.51392	1.9
72.99178	5.3
73.02824	3.3
75.00730	2.2
82.95261	1.4
83.01266	2.5
83.04917	1.6
84.94981	1.7
85.02840	8.5
87.00763	6.3
89.02345	17.2
96.95881	2.2
99.00758	3.4
99.04409	1.8
101.02349	14.0
103.00238	6.6
109.02858	4.5
111.00745	1.7
113.02369	7.4
115.03799	1.3
117.03350	3.9
119.03419	6.9
121.02855	2.2
123.00784	2.6
123.04412	2.6
125.02393	10.9
130.08621	1.7
131.03429	1.5
132.02060	1.6
133.02861	3.2
135.04410	6.1
137.02364	9.0
137.06013	1.8
142.51067	1.2
143.03430	3.2
146.99272	5.9
151.00278	1.7
161.02368	4.6
161.04433	3.6
162.03127	6.0
163.03979	2.4
165.05486	2.6
171.10136	1.5
179.03392	5.3
179.05519	5.3
205.01343	3.3
206.02110	1.5
211.13391	13.9
215.03331	1.6
239.07227	1.8
243.06538	1.2
253.09332	1.3
261.05359	1.7
267.06531	4.7
268.02203	4.3
270.03644	7.8
279.06580	1.4
283.06219	3.1
295.05856	1.5
307.06018	2.1
317.04523	5.7
325.06985	1.7
332.10593	1.8
335.09198	3.2
337.07303	2.0
337.10812	10.0
338.11499	3.9
349.10977	3.0
351.12274	3.5
353.14044	10.0
360.10242	8.5
361.10892	71.7
362.11313	6.8
365.10263	4.9
377.10373	2.5
379.12039	12.1
380.12415	5.2
391.11926	3.0
393.09253	1.9
393.13513	3.7
394.10504	1.6
395.18954	1.7
407.11356	3.1
408.12234	3.0
411.14722	10.3
419.15036	9.8
421.12933	2.2
422.13605	4.2
425.16058	4.5
435.14188	2.5
437.16064	39.2
438.16315	6.3
439.14081	18.3
440.14456	4.3
441.15057	2.1
453.15588	11.9
454.16379	10.6
455.16879	10.1
461.32889	6.2
479.34326	2.7
497.33771	1.9
515.18964	1.5
523.16150	13.7
544.22601	1.4
571.18353	9.6
585.19366	2.0
599.21521	48.5
600.21753	6.8
615.36841	3.2
659.23572	100.0
659.37860	6.6
659.78595	5.8
660.23254	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	658.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.2
61.98718	100.0
65.00206	4.4
71.01276	0.6
75.00795	0.2
76.02792	0.2
83.01270	2.0
96.95913	0.3
99.00809	0.4
101.02362	0.3
107.01302	6.9
109.02886	1.5
111.00806	0.3
113.02343	0.5
125.02352	1.8
131.01320	0.2
133.02901	0.4
134.03633	0.7
135.04451	25.2
136.04767	1.1
137.02394	0.4
149.02382	0.5
151.00311	42.9
152.00626	1.4
153.01825	0.3
156.00560	0.6
161.02414	1.1
164.01082	0.3
165.01828	0.8
169.01384	0.9
175.00327	1.4
177.01878	0.9
180.04286	0.4
193.01395	1.5
195.06636	0.3
199.03923	0.3
205.01460	0.9
217.01352	0.4
225.07639	0.3
230.40530	0.4
235.02496	2.9
269.04651	0.5
283.28021	0.3
284.03323	1.4
285.04025	2.7
286.04245	1.9
287.05511	3.1
337.11182	0.3
339.07303	1.3
357.08670	0.4
452.25784	0.3
459.11563	6.9
460.11810	0.4
593.15100	0.6
594.15546	0.3
595.16760	63.7
596.17133	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	659.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73172	0.2
59.01263	0.4
68.95560	0.2
69.20715	1.0
69.21144	0.8
74.11157	0.2
76.73175	0.1
85.02898	0.2
88.15968	0.2
98.19781	0.4
103.00285	0.2
109.02886	0.3
122.03694	0.3
133.02887	0.3
133.06621	0.2
137.02397	0.3
145.02937	0.2
147.04512	0.2
148.01602	5.1
149.02153	0.2
161.02406	0.2
162.03215	0.2
173.02460	0.2
175.04054	0.4
189.01917	0.3
201.01970	0.5
201.05690	0.2
203.10843	0.2
211.13376	0.4
215.03525	0.7
225.05559	0.3
227.03674	0.3
227.07013	0.2
237.05571	0.3
239.07208	0.6
240.04318	0.4
245.04654	0.2
245.08012	0.2
247.09798	0.8
251.07259	0.4
252.04485	0.3
252.65451	0.2
253.05193	0.4
254.05960	0.3
255.06677	0.2
257.08228	0.2
265.05035	0.2
266.05905	0.2
267.06631	1.2
268.07056	0.3
269.04456	0.3
269.08432	0.2
277.04962	0.3
279.06650	1.6
281.04596	0.7
281.07953	0.2
282.05182	0.2
283.06274	0.5
291.06760	0.3
293.04730	0.3
293.11877	0.3
294.05301	0.3
295.06232	0.6
295.09674	0.2
297.04141	0.5
297.07733	0.6
299.05618	0.4
305.04749	0.2
307.06219	0.9
307.09512	0.2
309.04153	1.3
309.07742	0.4
309.11176	0.3
310.04837	0.3
311.05750	0.7
312.06448	0.2
313.07254	0.3
321.11252	0.9
322.04846	0.3
323.05670	2.7
323.09375	1.7
323.12869	0.3
324.06223	0.2
325.07352	1.2
325.10693	0.3
326.07843	0.2
327.05222	0.2
333.11319	0.3
335.05725	1.5
335.09149	0.3
337.07294	0.3
337.10864	0.9
338.11099	0.2
339.12274	0.8
340.05942	1.3
341.06723	0.6
343.35858	0.2
347.08987	0.2
349.10941	1.3
350.11386	0.2
351.08835	1.4
352.09564	0.2
353.06720	1.6
353.10480	0.9
354.07120	0.3
355.08316	0.3
365.10190	0.4
366.11072	0.6
367.11884	2.7
368.12503	0.4
372.04916	0.5
377.10583	0.4
378.11041	1.5
379.11780	0.7
380.12784	0.5
381.09668	0.7
381.13870	0.2
391.12216	0.3
395.11481	1.8
396.12207	50.2
397.12534	6.2
409.13120	0.7
410.13583	0.5
411.14560	100.0
412.14905	12.8
468.70078	0.2
659.27502	0.3
660.28485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.0
59.01263	11.4
61.98717	11.0
66.83896	0.5
71.01267	4.6
71.04880	0.9
71.54562	0.7
72.01641	0.6
72.99188	0.6
73.02796	1.8
75.00746	0.7
76.35183	0.5
81.03304	0.5
83.01241	2.1
83.04875	1.6
85.02847	3.0
87.00735	1.4
89.02304	2.2
93.03311	1.7
95.01256	1.3
96.95920	3.2
97.02857	1.2
97.06454	0.8
99.00754	1.5
99.04383	1.7
101.02348	3.9
107.01263	0.7
107.04907	1.0
108.02048	2.1
109.02872	1.2
111.04406	1.7
113.02373	2.8
116.92730	0.9
117.03323	0.6
119.03355	1.0
119.04903	1.6
121.02857	0.9
121.06458	1.9
122.03613	1.8
123.04388	1.6
123.08085	0.7
125.02356	3.6
125.05979	0.8
133.02863	0.5
134.03624	0.5
135.04414	3.4
135.08093	1.0
136.05234	32.5
137.02382	3.4
137.06044	8.7
137.09593	0.9
138.03139	0.6
139.03857	0.5
143.10674	1.0
145.02832	0.8
147.08057	1.4
149.02312	0.9
149.06024	8.9
150.03065	1.1
150.06824	6.0
151.00313	2.6
151.03896	1.4
151.07513	1.8
152.01045	1.7
161.02368	0.6
161.04445	1.5
162.06834	2.5
163.03914	0.7
163.07513	1.4
164.04771	1.1
164.08353	3.5
165.01823	1.7
165.05534	11.3
165.09163	39.1
166.09447	1.9
169.01357	0.6
175.03870	0.6
177.01813	0.5
179.03419	0.6
179.05586	0.9
179.07089	1.4
179.10689	0.5
180.04247	0.6
183.13824	1.4
183.45074	0.5
187.09657	1.3
193.05022	0.7
205.04985	0.7
207.10173	0.6
209.11852	0.9
219.06505	0.7
219.13893	1.0
223.06068	1.2
227.12859	1.3
253.04973	0.9
255.16125	1.0
265.14478	1.2
267.06677	0.9
269.04645	0.8
269.13953	0.7
269.21338	3.3
270.96817	0.5
271.06149	0.9
279.15906	0.8
284.03226	0.9
287.05673	1.0
311.22278	1.9
329.23386	27.1
330.23749	1.9
333.17279	0.7
335.05621	0.8
367.08139	1.0
418.31012	0.5
425.08823	1.2
433.33215	0.9
446.08731	1.6
477.32437	10.2
478.32709	2.0
480.31384	0.5
494.32532	3.8
495.18057	2.5
495.33389	74.0
496.33710	11.0
509.34735	2.2
521.33661	1.0
545.13062	2.3
621.18457	1.3
622.18188	0.6
634.79022	0.6
639.34369	0.8
657.27765	6.8
657.38782	100.0
658.28772	1.4
658.39160	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.5
57.03328	1.1
59.01266	10.2
59.22494	0.4
61.98722	2.5
71.01275	4.7
73.02839	1.5
83.01304	1.1
84.00965	0.3
85.02869	1.8
87.00800	0.7
89.02328	2.2
93.03365	0.4
95.01289	0.4
95.04936	0.5
96.95930	0.7
99.00787	0.8
99.04443	0.6
100.07796	0.3
101.02352	2.6
108.02080	0.4
109.02856	0.5
109.06498	0.4
113.02364	2.1
117.03386	0.4
119.03456	0.5
119.04966	1.3
121.02940	0.4
121.06537	0.5
122.03673	0.6
123.00756	0.6
123.04436	0.9
125.02382	1.6
125.06029	0.6
127.00360	0.4
130.08711	0.5
134.03702	0.4
135.04428	1.7
136.01686	0.4
136.05231	4.3
137.02437	1.1
137.06017	79.1
138.03188	0.4
138.06323	2.7
139.03905	0.6
143.07080	1.5
148.05211	0.4
149.06035	2.7
150.03102	0.4
150.06798	5.7
151.00342	0.4
151.03960	2.4
152.01137	0.4
152.04727	1.4
161.02394	0.5
161.04443	0.7
162.06821	0.5
163.03917	1.1
163.07622	2.2
164.04773	2.1
164.08308	0.7
165.05525	87.9
165.09161	6.1
166.05893	4.0
167.03401	0.5
173.06046	1.2
177.01936	0.5
177.05611	0.5
179.07079	0.7
179.10754	2.5
187.07555	0.6
191.07143	2.4
193.08809	0.4
198.05347	0.5
209.11867	1.2
211.13470	1.0
223.06123	0.5
229.24254	0.4
231.13927	0.5
233.12927	0.5
265.14502	2.7
269.04645	1.2
271.06189	0.4
291.16022	0.7
308.16541	0.4
309.17169	1.7
329.23294	0.7
351.08878	1.3
384.05588	0.4
425.09103	0.5
437.33701	0.5
453.15298	2.0
465.32251	1.4
467.33859	1.1
471.22879	0.5
477.32523	3.3
478.32388	0.5
480.30444	3.3
493.31436	0.9
494.32059	0.5
495.33218	100.0
496.33569	13.9
579.35785	0.5
588.23053	0.4
597.19775	0.6
597.36615	0.7
613.38348	0.5
615.34302	0.7
627.37769	1.4
636.80383	0.5
657.21356	2.4
657.38794	54.0
658.22528	0.7
658.39172	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	657.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.1
59.01266	10.9
61.98717	2.6
67.79766	0.5
71.01276	4.2
71.16027	0.4
71.52109	0.4
72.99202	0.8
75.00774	0.6
79.95634	1.0
82.50053	0.4
83.01278	0.7
85.02861	1.7
87.00771	0.5
88.98708	0.4
89.02359	1.0
93.03385	0.6
95.01312	0.6
96.95911	37.5
97.02853	0.5
99.04447	0.4
101.02351	2.2
109.02904	1.9
113.02378	1.9
116.92802	0.6
118.48721	0.5
119.03481	0.6
119.04926	0.8
121.02898	1.1
123.04476	1.0
125.02307	2.1
129.49068	0.4
133.02908	0.9
133.38666	0.4
135.04465	2.8
136.05264	1.1
137.02406	0.9
137.06055	1.7
145.02888	0.5
148.01601	0.9
149.02347	0.7
149.05977	0.6
150.06895	0.7
151.04010	0.6
153.05646	0.4
161.02347	0.6
161.04466	0.6
164.04697	0.7
165.05548	1.8
175.04031	0.4
177.01901	0.6
179.03459	0.6
181.04994	0.5
191.07199	0.6
201.05702	0.6
209.11867	0.6
211.13443	0.9
213.05815	0.5
225.05533	0.5
231.35556	0.5
239.07115	0.7
241.05023	0.6
253.08859	0.5
254.06006	0.6
269.04663	1.0
281.04767	0.6
282.05426	1.1
283.06287	0.9
284.03821	0.6
295.06329	0.8
297.04529	0.5
297.07819	0.7
309.04190	0.6
309.07690	0.7
310.04926	0.6
311.05624	2.3
312.06473	3.0
313.07169	1.3
315.07278	0.6
323.05801	0.9
334.08780	0.8
335.05826	1.1
335.09482	0.6
337.07446	1.1
340.01089	0.5
340.06146	0.6
341.06665	0.7
344.05225	0.6
349.11002	0.6
351.09048	0.5
352.09668	0.6
353.06750	1.0
355.08411	2.2
358.08450	0.6
359.09375	2.7
360.09662	0.6
362.07797	0.5
363.08664	0.5
365.10748	0.7
366.11020	0.6
367.08408	0.9
376.09235	0.6
377.10345	0.9
379.11917	2.8
381.09805	0.9
382.10754	1.0
386.06519	0.6
392.12451	0.7
395.11533	1.1
409.13049	1.0
421.16846	2.0
433.16733	4.2
435.14752	1.6
447.18628	1.0
449.16333	1.2
449.32803	0.7
451.11514	0.5
451.17761	10.7
451.23624	0.9
452.18149	1.4
453.15335	2.7
461.16174	1.1
463.17859	1.8
464.18564	1.6
465.19464	4.7
475.11877	0.6
475.18155	2.0
476.18750	1.0
477.19446	1.1
477.31909	0.6
479.17200	18.8
480.17545	3.7
481.18356	0.8
493.18854	15.8
494.19507	9.9
494.26276	0.5
495.20480	2.9
495.33841	1.7
521.14996	1.6
536.86414	0.5
579.19031	1.1
596.39264	0.5
597.19794	2.7
597.37317	1.9
613.39600	1.3
656.37598	0.7
657.25830	100.0
657.38251	8.3
658.26111	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	657.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24834	0.2
55.01764	0.4
56.30267	0.2
57.03327	0.8
59.01268	8.1
60.87826	0.2
61.98716	0.7
66.25237	0.3
71.01270	2.2
71.25611	0.6
72.99162	0.5
75.00761	0.3
80.50004	0.3
80.57533	0.3
81.69890	0.3
83.01268	0.6
83.04904	0.3
83.50721	0.2
85.02850	1.5
87.00763	0.7
87.96566	0.3
89.02316	0.6
93.03382	0.4
97.02835	0.4
99.00787	0.3
99.04405	0.5
100.09409	0.3
101.02336	1.4
108.02112	0.3
109.02821	0.4
109.60519	0.3
111.04432	0.6
113.02325	0.8
119.04952	0.3
121.02845	0.5
123.04392	0.3
125.02356	0.5
130.08630	1.1
135.04451	0.7
136.05194	0.5
137.02367	0.6
137.06039	1.7
145.02881	0.5
148.01614	0.4
149.02350	0.7
150.06799	2.1
151.07581	0.5
163.07587	0.5
165.05579	1.4
174.03282	0.4
175.03940	0.4
177.01906	0.3
179.10736	1.2
202.02731	0.5
207.02846	0.4
209.11813	0.6
211.13400	0.5
227.03542	0.5
229.05025	0.3
238.06543	0.3
241.05031	0.4
249.15369	0.3
251.06943	0.3
254.05849	0.6
255.06726	0.3
266.05759	0.6
267.06589	0.6
269.85336	0.3
279.06711	0.7
281.04852	0.6
282.05289	0.7
283.06229	0.4
293.04730	0.7
293.07947	0.3
294.05389	0.9
295.06143	0.7
297.07559	0.4
305.08057	0.5
307.06067	0.8
309.04169	1.1
310.04852	0.6
311.05557	0.8
312.06451	1.9
314.04636	0.4
319.06387	0.3
321.07709	0.6
322.08505	0.5
323.05640	0.9
324.06503	0.4
325.07425	1.7
333.07697	0.4
334.08386	0.4
335.05597	0.5
335.09177	0.4
336.09711	0.4
337.07129	1.3
338.07855	0.3
340.05942	2.0
341.06702	1.0
342.07285	0.3
344.05444	1.9
347.09457	0.6
349.07074	0.5
350.07822	0.4
351.08713	0.8
351.12601	0.5
352.09515	1.5
353.06772	0.5
354.07498	0.4
355.08286	8.1
356.08658	0.6
358.07150	0.7
363.09012	0.6
364.09418	0.4
365.10519	0.9
366.10812	0.6
367.08276	0.7
372.04953	0.3
377.10278	0.8
378.66074	0.3
379.08121	0.4
380.09085	2.7
381.09790	0.7
386.06433	1.2
393.09866	1.2
394.10486	0.9
395.11441	4.5
396.11575	0.8
409.13205	1.3
410.13214	0.4
421.16660	0.6
433.16684	1.0
435.14471	0.8
447.18121	0.3
449.15897	0.5
451.17670	7.1
452.18036	0.9
453.15442	1.3
461.16077	0.8
462.17325	0.3
463.17688	0.7
464.18564	0.7
465.19193	3.2
466.19537	0.5
475.17593	0.5
476.18506	0.6
477.19479	0.7
478.89563	0.3
479.17203	16.3
480.17645	3.2
481.19275	0.5
493.18835	9.9
494.19482	8.6
494.35910	0.3
495.20334	3.0
495.37961	2.7
496.19922	0.3
509.18192	0.4
550.13470	0.4
558.17444	0.8
597.36584	3.0
613.39789	2.0
615.37817	1.1
639.24762	0.5
657.25690	100.0
657.37677	5.4
658.26025	18.0
658.36945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
57.97656	0.3
59.01262	4.7
61.98711	1.2
69.28152	1.7
69.28567	0.8
71.01263	1.6
72.99199	0.3
75.09241	0.3
79.92471	0.3
85.02843	0.8
87.00770	0.4
89.02322	0.9
92.03973	0.3
93.03378	0.3
94.20316	0.3
99.00799	0.6
101.02337	1.5
107.04830	0.3
113.02377	1.0
119.04935	0.4
121.02860	0.5
123.04417	0.3
125.02366	0.7
129.36914	0.2
133.02885	0.5
135.04405	0.4
137.05978	0.6
148.01563	0.5
151.00372	0.4
161.02515	0.5
161.04413	0.4
163.03961	0.6
163.07593	0.3
173.02344	0.4
175.07593	0.3
177.01837	0.3
178.06273	0.3
187.07678	0.3
189.01813	0.4
189.05469	0.3
193.08578	0.5
194.09055	0.3
201.01923	0.9
209.11832	1.0
211.13303	1.4
213.01923	2.0
213.05501	0.3
225.05544	0.4
229.05052	0.6
238.85170	0.3
241.05128	0.3
253.05132	0.3
254.05830	0.4
255.06581	0.4
257.08331	0.4
266.05829	0.4
267.03009	0.9
268.07196	0.3
269.04523	0.3
277.08481	0.3
278.05789	0.4
281.04562	0.9
282.05505	1.3
293.04587	1.2
295.02560	1.1
295.06122	0.7
296.06744	0.4
300.10236	1.4
307.06259	1.3
309.04059	0.7
310.04849	1.4
311.05447	0.8
314.04364	0.6
321.04041	1.1
321.07614	0.5
322.04950	2.8
322.08353	0.7
323.05777	1.2
324.06482	0.6
325.06973	1.7
335.06284	1.4
335.08908	1.6
337.07233	5.9
338.07690	0.6
349.07120	0.4
349.10840	0.6
356.05353	0.9
363.08823	1.3
364.09427	0.8
365.10428	0.4
366.10501	0.3
377.10217	1.3
378.11130	0.6
379.11887	1.8
380.12674	1.0
381.09747	0.9
381.13623	8.6
382.13831	1.2
392.12686	0.3
393.13708	0.4
394.14029	0.4
395.11151	0.8
395.15448	2.8
407.10983	0.4
408.12210	0.5
409.12982	7.1
410.13553	1.7
418.76602	0.4
423.14542	10.0
424.15314	6.0
425.16034	1.2
433.16693	1.0
437.15204	0.3
451.17911	2.9
452.18018	0.3
453.15646	3.6
454.15778	0.6
461.16220	0.9
465.19299	1.6
475.17700	0.5
476.18610	0.4
477.18634	0.4
479.17172	10.7
480.17383	1.3
487.12698	0.7
493.18610	5.0
494.19495	4.9
495.20187	1.2
495.33093	0.3
499.12592	0.3
516.86304	0.4
541.17249	1.1
587.21222	2.1
588.22559	0.4
597.37042	0.9
613.40051	0.7
618.19653	0.7
639.23840	0.5
657.25659	100.0
658.26007	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	657.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54770	0.6
52.57677	0.6
52.66040	0.6
52.68281	0.6
59.01265	100.0
60.01606	1.8
61.53526	0.8
61.98721	2.3
71.01283	2.2
71.51440	1.0
73.02844	1.2
75.00780	0.8
78.95802	3.7
85.02848	1.3
87.00785	1.3
89.02345	1.4
93.03378	0.7
96.95926	2.8
96.96890	1.6
99.00803	0.8
101.02351	1.7
108.02143	0.7
109.02906	0.8
119.04924	1.3
128.03476	0.9
135.00731	0.6
137.02399	3.5
151.03983	2.0
152.01042	1.0
161.02388	5.9
163.03996	0.8
165.01883	31.5
169.24141	0.6
176.04799	2.7
179.03459	21.4
180.04250	24.9
191.07243	1.0
194.05833	11.9
195.06602	39.9
196.07077	2.2
209.08194	22.1
210.05328	7.2
210.08588	0.9
225.07689	73.3
226.07996	4.3
310.90747	0.6
329.10492	1.1
343.11890	1.3
357.09741	3.5
372.12326	4.1
387.14618	29.5
388.15073	2.8
402.63126	0.7
435.16708	27.3
436.16934	3.1
657.13062	1.0
657.63678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	61.6
59.33394	0.2
60.01601	0.7
60.99194	0.4
61.98719	1.6
67.02630	0.2
71.01271	0.8
71.53814	0.4
75.00753	0.6
83.01283	0.3
85.02831	0.4
85.39447	0.3
87.00774	0.5
88.98687	1.8
89.02332	0.6
90.05949	0.2
93.03357	1.1
96.01004	0.2
99.00813	0.4
101.02355	0.7
109.02846	0.3
113.02341	0.5
116.92792	0.5
123.04431	0.3
125.02345	0.3
137.02373	5.6
151.03958	0.8
159.03105	0.2
161.02385	3.2
163.03883	0.3
165.01883	36.8
166.02202	1.7
172.43774	0.3
173.04730	0.3
176.04738	2.1
177.01883	0.3
179.01886	0.3
179.03461	10.5
180.04247	28.6
181.04642	1.1
191.07149	1.2
194.05826	7.3
195.02969	1.3
195.06609	48.7
196.06943	2.3
209.08186	24.4
210.05331	7.6
210.08347	1.3
211.05772	0.5
225.07692	100.0
226.08043	5.2
372.12207	0.5
373.49362	0.3
387.14478	2.1
435.16693	12.0
436.17065	1.7
517.05634	0.3
627.12988	0.3
657.28949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	21.8
58.03671	0.3
59.01262	1.8
61.98717	0.4
70.89377	0.3
71.01263	0.8
72.99184	0.1
73.02248	0.1
73.02832	0.2
75.00776	0.2
81.03355	0.8
83.01286	0.4
85.02859	0.3
87.00764	0.1
89.02334	0.3
93.03377	0.4
95.04961	0.1
96.95886	0.1
99.00782	0.1
99.04416	17.8
100.04770	0.3
101.02343	5.8
102.02686	0.2
108.02090	0.3
109.02879	0.4
113.02341	0.3
117.03370	0.6
119.03442	0.1
119.04948	0.4
121.02878	0.4
123.04443	0.4
125.02363	17.2
126.02686	0.4
132.02097	0.4
133.02872	0.5
135.00830	0.2
135.04430	0.6
136.05240	0.4
137.02368	0.4
137.06004	0.5
137.25404	0.1
143.03448	0.5
145.02864	0.1
147.04465	0.2
149.02406	0.2
149.06012	0.2
150.06769	0.4
152.01070	0.3
153.01817	0.1
155.04846	0.1
158.03619	0.1
159.04512	0.3
161.02388	0.3
161.04512	0.2
161.06064	0.1
163.07596	0.3
164.04814	0.2
165.05527	0.6
165.09178	0.5
171.04497	0.4
173.02348	0.2
177.01866	0.2
179.07030	0.1
183.04523	0.2
186.03226	0.1
187.03952	0.2
188.01175	0.4
189.05609	0.2
193.04991	0.1
195.04608	0.1
198.03214	0.2
199.03984	0.5
200.01111	1.9
201.01907	2.1
201.05603	0.1
202.02330	0.2
211.04007	0.2
212.04849	0.2
213.05566	0.1
215.03485	0.9
226.02708	0.5
227.03482	0.6
229.04922	0.2
233.04552	0.2
233.09756	0.1
235.07681	0.1
237.05705	0.2
237.09035	0.1
239.03484	0.5
240.04242	0.9
241.05037	2.1
242.05475	0.1
243.03017	0.3
245.06267	0.1
245.09509	0.2
246.06863	0.1
249.05595	0.3
250.06355	0.3
254.02277	0.3
258.05386	3.0
260.08371	0.2
261.09256	0.5
263.07065	0.1
264.08063	0.2
265.05252	0.6
265.08478	0.1
266.05753	0.2
268.03809	1.0
273.05731	0.2
274.06549	0.4
277.08694	0.2
279.06848	0.2
280.07382	0.2
281.04654	0.2
286.17218	0.1
287.07312	0.2
288.07904	0.3
289.05548	0.1
289.08810	0.5
290.05817	0.2
291.06686	0.4
292.07193	0.2
293.04623	4.9
294.05374	3.1
295.05777	0.3
295.09631	0.3
305.04498	0.3
305.08459	0.4
306.05545	0.3
307.06387	0.6
307.09543	0.2
308.06931	1.2
309.07755	0.8
309.10776	0.1
310.08206	0.1
311.05591	0.2
315.06891	0.1
315.12613	0.2
317.04559	0.4
318.02048	0.1
318.05273	0.6
321.07846	0.2
323.09427	0.4
329.23227	0.2
332.07019	0.5
333.07697	1.7
334.08194	0.3
336.06580	0.1
350.08002	1.1
351.08786	100.0
352.09134	8.3
409.16159	0.2
451.17746	0.2
495.12952	2.4
495.19037	0.1
495.32437	0.9
496.13348	0.2
513.14130	3.7
514.14282	0.5
537.14563	0.2
555.15216	2.5
556.15448	0.3
595.17920	0.4
656.36572	0.2
657.18250	0.8
657.25476	0.7
657.37994	1.4
658.17670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	16.4
61.98714	1.5
65.41873	0.6
71.01264	5.0
72.99183	0.8
81.65627	0.6
83.01279	1.6
84.16770	0.6
85.02837	1.9
87.00767	0.8
88.81322	0.6
89.02332	2.4
96.95895	1.7
97.42657	0.7
99.00747	0.9
101.02336	2.8
109.06528	0.9
113.02371	2.6
121.02825	0.7
123.00755	0.7
125.02387	1.1
133.53470	0.6
135.04509	2.0
135.08171	1.0
136.05304	0.8
137.05983	2.4
143.03461	0.7
145.02824	1.2
148.01640	0.7
150.06805	0.9
151.00305	1.3
151.03903	1.2
151.07602	0.6
161.04420	0.9
165.05530	3.0
169.10603	0.7
179.10648	0.8
189.01921	0.8
190.80887	0.6
191.68266	0.7
202.06381	1.1
209.11784	2.2
211.13356	3.0
229.05255	0.8
232.15614	0.7
239.03500	0.8
250.85242	0.6
255.06685	1.9
256.07401	1.6
267.06567	1.0
281.04813	1.1
291.10175	1.0
293.04596	1.0
293.08017	0.7
307.09875	1.7
319.09586	0.9
321.04172	0.8
321.07684	1.4
323.05695	1.7
328.22467	0.9
335.09134	1.5
336.10419	1.5
337.10901	2.3
347.09308	1.0
348.09973	2.4
349.06891	0.9
349.10928	2.0
360.09979	1.5
361.10870	0.9
363.08707	1.5
364.09827	1.2
365.10416	2.2
366.11154	4.3
367.11874	1.9
377.10443	0.9
378.11191	6.1
379.11981	3.7
380.11917	0.7
391.11926	1.0
394.10635	27.0
395.11328	6.7
396.12119	0.9
396.38577	0.7
409.13000	100.0
410.13431	12.0
417.13300	1.2
435.14603	0.8
451.17810	1.7
453.15814	1.0
465.19211	1.3
479.17200	2.6
480.17368	0.7
493.18820	2.1
494.19672	1.3
495.20584	0.9
495.33054	2.2
573.19983	2.2
596.39069	1.1
597.36951	3.4
613.38788	1.2
614.39526	0.8
615.37518	0.8
639.35657	0.8
656.36176	0.7
657.24536	16.1
657.37567	6.8
658.25232	1.9
677.85693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01599	0.9
61.98717	0.9
69.25764	2.9
69.26189	1.3
71.01268	0.8
78.95788	0.4
82.74541	0.3
87.92451	0.4
96.99263	0.4
97.02850	1.2
101.00887	0.8
102.98776	0.8
113.00854	0.5
117.00344	0.7
131.01886	0.6
141.01639	68.0
142.02013	0.7
142.04953	0.5
143.99054	0.5
164.86424	0.4
173.02997	0.8
201.02454	0.4
257.05289	0.9
261.01694	0.4
275.06345	5.8
276.06342	0.5
277.21735	2.9
317.07269	1.4
335.08456	1.0
339.00446	0.5
359.21930	1.3
391.19724	2.9
392.20233	0.8
535.27863	5.0
536.27722	0.9
595.29901	2.5
596.30341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85106	0.4
59.01264	100.0
60.01597	0.8
61.98718	11.4
71.01258	0.7
71.51503	0.7
76.18536	0.4
86.92830	0.4
96.95927	0.5
117.92772	0.4
141.01630	62.9
142.01967	1.1
165.09758	0.4
210.87872	0.4
249.84450	0.5
275.06216	2.8
277.21777	1.8
317.07327	0.5
359.22006	1.7
369.79962	0.4
391.19818	1.3
423.56305	0.6
431.13480	0.5
445.25119	0.5
535.27612	2.9
595.29755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
61.98715	10.6
63.02290	0.6
65.00201	0.5
68.17545	0.2
83.01290	0.8
107.01263	1.8
109.02828	0.5
121.02863	0.4
125.02380	0.3
131.40120	0.3
133.02881	2.5
134.03641	0.5
148.01450	0.3
149.02383	1.2
149.06007	0.2
151.00299	3.8
152.01071	0.3
152.28227	0.3
156.00627	0.5
158.25809	0.3
168.34029	0.2
175.04039	1.2
185.06067	0.4
197.06012	0.4
198.03195	0.5
199.03941	1.4
201.01906	0.3
211.04010	0.6
212.04710	0.3
213.05560	0.4
217.05087	1.1
227.03539	0.9
231.00186	0.3
241.05008	0.6
243.03050	0.8
253.05087	0.4
255.03075	0.5
256.03793	2.6
257.04318	0.5
267.02966	0.6
283.02399	0.4
284.03311	55.9
285.04071	83.1
286.04422	6.4
297.04147	0.3
299.05518	0.3
309.04279	0.7
327.05167	1.0
357.06461	0.4
429.08286	0.6
447.09320	2.4
448.10168	0.4
548.93921	0.3
593.15210	100.0
594.15564	16.7
656.16638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11455	0.2
51.46688	0.1
56.01664	0.2
57.03336	14.2
57.45307	0.1
59.01268	3.4
60.01620	0.2
61.98719	1.7
65.00214	0.5
65.03848	0.2
68.99731	0.2
69.03352	0.4
69.44691	1.6
71.01270	1.9
71.04917	0.2
72.99201	0.8
73.02846	0.7
75.00790	0.4
77.29620	0.2
81.03358	1.3
83.01279	3.9
85.02840	1.0
87.00773	0.6
88.98701	0.3
89.02349	0.8
89.03853	0.3
91.01794	0.3
93.03376	0.7
95.01313	0.4
95.04943	0.5
96.95927	0.6
97.02857	1.0
98.19702	0.2
99.00788	0.5
99.04439	0.2
100.04829	0.2
101.02351	1.2
105.03424	0.2
107.01320	0.6
107.04952	0.2
108.02090	1.0
109.02871	2.0
113.02322	0.8
116.92785	0.4
117.03392	0.3
119.01305	0.6
119.03436	0.3
119.04968	0.9
121.02861	1.3
123.00809	0.3
123.04475	1.0
124.01589	0.7
125.02367	100.0
126.02710	3.0
133.02884	5.0
133.06534	0.2
134.03360	0.3
135.00790	0.2
135.04457	0.7
136.01601	0.4
136.05214	0.6
137.02385	1.7
137.06018	0.2
139.03940	2.5
145.02927	0.3
145.56337	0.2
147.00778	0.2
147.04520	0.3
148.01529	0.2
149.02383	4.7
149.06036	0.7
150.03053	0.4
151.00310	1.6
151.03928	0.4
152.01112	1.0
153.01862	0.5
159.04446	0.4
161.02390	25.9
162.02740	1.3
162.06770	0.2
163.00351	0.3
163.03984	0.9
164.04736	1.5
165.01880	2.0
165.05536	0.4
165.09236	0.3
166.05078	0.2
167.03436	1.8
175.00345	3.4
175.03967	0.4
176.01031	0.8
177.01877	2.2
177.05513	0.6
178.02592	0.2
179.03444	0.5
179.07031	0.4
187.03975	0.2
190.02676	8.4
191.03391	1.4
193.01364	0.4
193.05013	0.3
197.14445	0.2
199.04094	0.2
201.05467	0.3
203.03467	0.3
205.05049	7.5
206.05643	0.7
207.03018	0.3
208.03709	0.2
209.04587	0.2
217.05037	0.2
223.06099	1.4
241.05168	0.2
255.02933	0.2
265.07159	0.5
269.04602	1.2
270.04852	0.3
271.06201	3.1
271.09143	0.2
272.06598	0.2
285.04062	1.5
286.04419	0.6
287.05670	52.8
288.06042	4.2
293.04596	0.2
299.05737	0.5
301.07260	1.7
311.05756	1.1
325.09277	1.5
329.06714	3.0
330.07016	0.3
347.43942	0.2
367.10428	1.4
433.11456	0.3
449.10611	0.3
463.30618	0.2
493.13602	3.1
493.31992	1.3
494.13797	0.3
603.29919	0.3
603.79895	0.4
654.31775	0.2
654.70825	0.2
654.81226	0.7
655.16516	8.3
655.33295	1.0
656.16565	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	655.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15465	0.2
57.03336	16.6
58.03673	0.3
59.01263	5.5
61.98718	2.5
67.41840	0.2
68.44747	0.2
68.99693	0.3
69.54966	1.7
71.01264	3.2
72.99187	0.6
73.02845	0.9
75.00764	0.6
81.03326	1.1
83.01273	3.5
83.04915	0.2
85.02845	1.4
87.00760	0.6
89.02334	0.7
93.03358	1.4
95.01320	0.4
96.95908	1.0
98.20534	0.5
99.00792	0.8
101.02348	1.5
104.67278	0.2
107.01279	0.4
108.02068	1.1
109.02858	0.9
111.00787	0.3
113.02369	1.0
117.03345	0.3
119.01343	0.2
119.03420	0.3
119.04924	0.5
121.02857	0.7
123.04439	0.7
124.01599	0.4
125.02365	100.0
126.02699	3.1
133.02888	1.9
134.03645	0.7
135.04463	1.4
136.05197	0.6
137.02377	2.4
137.06017	0.8
138.02733	0.3
145.02863	0.3
147.04428	0.2
148.01524	0.3
149.02367	1.1
149.06000	0.6
150.03093	0.6
150.65935	0.2
151.00322	1.1
151.03940	0.4
151.07538	0.4
152.01042	0.9
153.01859	0.3
153.09203	0.2
157.06760	0.2
159.04495	0.2
160.01620	0.3
161.02383	12.7
161.04500	0.6
162.02884	0.4
162.06895	0.2
163.00070	0.2
163.03978	0.4
163.07652	0.4
164.04683	0.6
165.01910	0.3
165.05499	1.2
165.09123	0.3
167.03488	0.3
175.00305	0.7
175.03969	0.6
177.01881	0.7
179.03461	0.5
179.07129	0.3
190.02699	1.6
191.03391	0.3
193.05002	1.0
205.05013	1.9
205.12726	0.2
209.11861	0.6
223.05998	0.4
227.12907	0.4
255.03017	6.5
256.03461	0.8
266.24667	0.2
269.04651	0.6
271.06216	0.4
277.10654	0.4
283.02542	7.0
284.03214	1.4
285.04056	0.9
286.04663	0.3
287.05716	2.0
287.08899	0.4
293.04495	0.3
297.07874	0.2
310.08630	0.2
367.10416	2.4
368.11176	0.3
373.59576	0.2
404.62265	0.3
451.13962	0.5
463.30765	0.6
475.10068	0.5
475.30679	0.5
481.91626	0.2
493.11252	0.9
493.31760	1.7
529.13562	3.3
530.13428	0.3
593.14716	0.3
624.80054	1.5
625.29285	0.4
631.09631	0.3
654.31323	0.4
654.81299	3.1
655.16663	8.0
655.33142	2.7
655.80945	0.5
656.16766	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	655.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	16.0
58.03671	0.5
59.01260	2.7
61.98714	2.4
65.00198	0.3
71.01267	1.7
71.52077	0.2
72.99186	1.1
73.02831	0.6
75.00760	0.4
80.09866	0.2
81.03345	0.8
83.01273	3.4
85.02855	0.8
86.03165	0.2
87.00776	0.4
88.98673	0.9
89.02328	0.5
93.03362	0.6
96.95920	0.5
99.00745	0.3
99.04377	0.2
101.02354	1.1
108.02087	0.6
109.02867	0.7
110.02402	0.3
111.00844	0.3
112.41164	0.2
113.02350	0.8
116.92805	0.2
119.03458	0.2
119.04950	0.5
121.02866	0.4
123.04434	0.5
124.01605	0.4
125.02367	100.0
126.02699	3.0
127.00311	0.2
133.02888	1.6
134.03598	0.2
135.04454	0.6
136.05215	0.7
137.02362	1.2
137.06036	1.0
139.03922	0.2
147.04529	0.2
149.02390	0.7
149.06012	0.4
150.03268	0.2
150.06799	0.5
151.00330	0.9
151.04010	0.4
152.01099	0.7
153.01889	0.4
159.04434	0.3
160.03976	0.2
161.02390	13.0
162.02809	0.6
163.03935	0.3
163.07620	0.2
164.04791	0.5
165.05551	1.3
165.09135	0.6
167.03491	0.2
175.00330	0.4
175.03885	0.3
176.01137	0.4
177.01942	0.5
179.03503	0.2
179.07144	0.2
183.26485	0.1
190.02701	1.8
191.03412	0.4
193.05042	0.5
199.04013	0.2
201.05562	0.2
205.05084	1.9
223.06047	0.5
255.06610	0.3
269.04630	0.5
283.02890	0.2
283.05923	0.2
284.03186	0.3
285.04025	0.6
287.05652	0.6
293.04599	0.2
317.06851	0.4
367.10446	1.8
387.87015	0.2
417.35422	0.2
446.08359	0.2
475.31088	0.3
478.29794	0.2
493.31729	3.2
529.13647	2.7
530.14014	0.4
563.17914	0.3
593.14978	0.2
611.36243	0.2
624.81012	0.2
655.16486	5.1
655.36603	1.9
656.16803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47976	0.2
55.01768	1.3
57.03339	1.4
58.00484	2.3
59.01266	41.3
60.01597	0.4
61.98746	0.1
65.30191	0.1
67.01788	0.3
68.99709	0.6
69.03350	2.5
70.81622	0.1
71.01272	39.7
72.01609	0.7
72.99199	3.2
73.02837	6.1
75.00768	0.9
81.03345	1.8
83.00800	0.3
83.01284	4.5
83.04921	0.2
85.02847	8.0
85.99976	0.3
87.00772	9.6
87.04427	0.4
89.02339	31.5
90.02670	0.3
91.03902	0.9
93.03357	0.3
95.01287	2.8
95.04919	0.3
96.21534	0.1
97.02851	6.2
98.20542	0.4
99.00780	2.3
99.04412	0.5
101.02348	30.8
102.02685	0.7
103.00295	0.4
103.03907	0.4
107.03474	0.2
108.02091	0.1
109.02851	0.8
110.33463	0.1
111.00795	0.6
111.04449	1.1
112.01586	0.3
113.02360	14.8
113.51672	0.1
114.02679	0.2
115.03947	0.8
119.03422	9.6
120.03730	0.2
121.02846	0.6
123.00767	0.3
123.04439	0.4
124.01587	0.6
125.02373	13.0
126.02676	0.4
127.03962	0.5
129.01863	0.2
131.03438	1.6
133.05002	1.0
137.02373	0.3
139.00288	0.2
139.03940	1.2
141.01892	0.8
141.05498	0.2
143.03435	6.3
144.03773	0.2
149.02406	0.2
149.04477	1.1
151.03836	0.2
157.05034	0.3
159.02939	0.2
161.04501	7.3
162.04826	0.2
163.03908	0.2
167.03419	0.7
169.05038	0.4
171.02950	0.5
179.05576	7.0
185.04517	0.7
199.06107	0.6
203.05605	0.3
208.00720	0.1
217.07195	1.1
219.05040	0.5
221.06653	2.5
235.08258	14.7
236.08597	0.4
237.22253	0.3
245.06796	0.7
253.09343	3.4
255.23340	100.0
256.23691	7.5
257.66907	0.2
263.07794	1.5
269.24829	0.8
277.09378	1.0
287.07800	4.4
288.07990	0.3
297.24231	0.2
305.08820	4.8
306.09293	0.2
323.09900	1.8
324.10251	0.2
361.11523	0.6
379.12570	1.0
397.13593	99.8
398.13928	6.4
398.19223	0.3
399.27792	0.2
415.14667	33.9
416.15057	2.4
653.27124	0.2
653.37274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.3
59.79911	0.3
61.16951	0.2
62.96271	0.5
64.69471	0.3
70.26794	1.2
77.55524	0.3
78.95794	100.0
100.33716	0.3
105.18955	0.3
105.30003	0.2
113.58409	0.3
122.16865	0.3
122.60680	0.3
149.00027	5.6
158.92474	0.3
179.01140	0.5
205.15964	1.9
255.23370	0.3
285.12665	4.0
286.13394	0.3
355.16818	2.6
385.17813	0.9
417.12656	0.3
447.13544	5.1
448.14014	0.4
653.30267	48.3
654.30518	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	653.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03334	1.2
58.00479	2.0
59.01267	36.7
60.01609	0.3
61.98708	0.7
67.01785	0.4
68.99718	0.4
69.03345	2.4
70.77609	0.2
70.77948	0.6
71.01271	37.0
71.69030	0.2
72.01591	0.5
72.99197	3.5
73.02836	5.5
74.47534	0.2
75.00767	0.8
79.01774	0.2
81.03371	1.6
83.01279	4.6
83.04927	0.2
85.02442	0.1
85.02845	7.8
87.00774	9.2
87.04397	0.3
89.02340	32.1
90.02664	0.4
91.03909	0.9
93.03368	0.4
95.01272	2.5
97.02854	5.6
99.00771	2.2
99.04414	0.3
101.02348	30.3
102.02689	0.4
103.03904	0.4
109.02849	0.6
111.00798	0.7
111.04420	1.0
112.01562	0.3
113.02359	13.9
114.02693	0.4
115.03944	0.9
118.03435	0.2
119.03419	9.3
121.02876	0.7
123.00795	0.3
123.04477	0.4
124.01585	0.6
125.02368	13.7
126.02644	0.5
127.03944	0.6
131.03400	1.8
133.04987	1.3
139.03915	0.7
141.01869	0.7
143.03439	6.6
144.03798	0.3
149.02342	0.3
149.04463	1.0
151.03830	0.2
161.04500	7.6
161.05843	0.5
162.04848	0.2
162.42393	0.2
167.03467	0.8
169.05078	0.4
171.02946	0.5
179.05580	6.8
185.04463	0.6
199.06149	0.5
203.05533	0.3
215.90814	0.3
217.07130	1.0
219.05128	0.2
221.06676	2.3
232.86070	0.2
235.08257	15.0
236.08545	0.7
237.22241	0.3
245.06723	0.9
253.09354	3.5
255.23331	99.0
256.23657	8.3
259.08160	0.2
263.07706	1.4
269.24744	0.6
277.09326	0.9
287.07813	4.2
297.24338	0.3
305.08813	5.2
306.09167	0.4
323.09894	1.7
361.11395	0.5
379.12604	1.3
397.13593	100.0
398.13950	8.0
398.19278	0.3
415.14667	34.6
416.15045	2.6
426.78363	0.2
653.38361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15060	0.5
57.03337	0.5
59.01264	6.5
61.98725	0.8
69.45418	4.3
71.01298	2.2
73.02859	0.9
87.00803	1.5
93.03383	1.0
98.19814	0.7
99.00835	0.6
101.02390	1.4
107.05003	0.7
109.02928	0.6
110.81646	0.5
113.02349	0.7
119.01376	0.9
121.02900	1.0
123.04440	3.0
133.02928	0.9
134.23811	0.6
145.02873	0.7
148.01636	1.1
149.02385	0.5
149.06058	0.8
199.07716	0.5
201.01875	0.6
237.05618	0.6
241.05139	0.7
243.06686	1.2
249.05600	0.9
255.05090	3.8
257.11813	0.9
261.11725	0.6
263.07092	0.7
265.08783	0.6
268.94583	0.5
269.08292	1.1
277.05508	0.7
291.10504	0.6
293.04730	1.7
307.06360	0.8
309.04391	0.6
318.08807	0.9
319.09763	1.1
321.04007	1.1
321.07706	0.8
322.04837	0.7
323.05719	1.2
333.07712	0.8
335.05676	3.7
335.09256	1.0
336.05939	0.9
336.10098	1.0
337.07202	1.0
347.09283	4.4
349.07208	0.7
349.10886	2.8
350.07687	0.6
351.08829	1.0
361.10919	3.9
363.08594	2.5
364.09653	1.9
365.10410	0.9
375.08688	3.6
376.09491	2.4
377.10074	8.2
377.14606	4.0
378.10770	1.1
387.12445	1.3
389.10248	2.0
389.14755	2.4
390.11252	1.8
391.08121	0.9
391.12030	5.8
391.16037	0.8
392.12863	1.2
396.08612	1.1
405.13635	16.1
406.14240	5.0
407.14804	0.8
410.10205	0.8
415.11865	1.0
416.12924	1.2
417.13681	2.5
418.14267	7.0
419.15063	11.8
420.15637	1.7
421.16620	0.9
431.15286	3.0
433.13013	25.6
434.13702	17.0
435.14200	2.9
447.14566	15.6
448.15222	7.2
449.16159	97.3
450.16510	11.5
593.36945	0.7
595.18597	4.5
635.21338	0.6
653.22552	100.0
654.22894	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	653.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.3
59.01264	100.0
60.01598	1.1
60.99190	1.1
61.98722	1.3
63.02293	0.5
65.00208	3.0
69.43155	0.5
69.43558	1.8
71.01266	3.0
72.99213	0.5
73.02839	1.1
75.00761	0.7
83.01271	3.1
85.02841	1.4
87.00777	0.6
88.98698	7.2
89.02351	0.8
95.01304	0.5
96.95905	0.5
98.20596	0.5
99.00769	0.6
101.02361	1.1
103.03946	0.3
107.01279	2.2
107.04903	0.2
108.02061	0.7
109.02850	2.0
113.02340	1.1
116.92771	0.3
119.01349	0.4
119.03430	0.3
119.04971	0.4
121.02887	0.8
123.04439	0.6
125.02395	1.1
128.87355	0.2
131.01404	0.3
133.02885	3.4
135.04414	0.6
137.02385	2.5
145.03006	0.3
145.06422	0.3
147.00812	0.4
147.04460	0.6
148.01622	0.4
149.02364	2.0
149.05974	0.4
150.03174	0.6
151.00308	3.7
151.03952	1.3
152.01051	0.7
159.04504	0.3
161.02391	0.8
161.04491	0.7
164.04753	0.8
165.01927	0.4
166.02580	0.4
169.01361	0.3
169.06494	0.4
171.04480	0.7
173.02429	0.4
173.06017	0.9
175.00320	1.8
175.03967	6.8
176.01122	0.3
177.01886	0.7
179.03522	0.5
179.07095	0.3
181.05067	0.7
185.06088	0.7
190.02661	3.8
191.03241	0.4
193.01399	0.4
193.42500	0.2
197.06108	1.0
198.03226	0.3
199.03987	3.5
201.01942	1.9
205.04993	2.2
210.25935	0.2
212.04813	0.5
213.05533	1.0
215.03479	0.3
217.05055	13.9
218.05321	0.8
221.06429	0.3
221.08354	0.4
223.04034	0.3
223.06061	0.5
229.05086	0.5
241.05077	1.9
243.03113	0.4
255.03098	0.3
257.04614	0.7
265.07242	0.5
269.04691	0.3
271.02872	0.3
271.06213	0.3
283.02567	0.6
283.06015	0.4
284.03238	0.4
285.04105	93.4
286.04446	9.0
287.05606	0.3
299.05719	1.0
309.04028	0.7
319.37631	0.3
325.09366	1.0
327.05179	0.4
353.08850	1.1
373.12976	0.5
401.12463	4.5
402.12772	0.4
416.14957	3.2
431.17194	18.7
432.17447	2.2
491.29575	0.3
542.27667	0.3
594.80023	0.4
609.79620	0.4
623.29626	0.3
653.14832	2.2
653.24182	0.3
653.35187	0.5
654.15540	0.5
654.31512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42103	0.4
57.85481	0.5
59.01259	2.6
61.98712	0.5
62.32337	0.5
71.01279	1.2
71.59290	0.6
79.05450	0.6
79.79374	0.4
80.78164	0.4
83.46157	0.4
88.55336	0.4
93.07488	0.5
95.81502	0.5
98.76197	0.4
101.02343	0.6
107.04948	1.5
109.02864	0.5
119.01326	1.0
121.02850	0.6
122.49950	0.5
125.02370	0.4
125.57524	0.5
127.06166	0.4
133.02905	1.4
135.04416	0.6
145.02888	1.0
147.00792	1.3
147.04456	0.5
148.01582	1.1
149.02390	1.1
150.03101	0.6
151.00294	0.6
159.24287	0.5
161.06062	0.7
162.03171	0.7
165.05540	0.5
173.02406	0.5
175.02432	0.8
175.03891	0.7
185.06108	0.7
187.03995	0.6
201.05630	0.7
211.04033	0.6
213.05724	0.6
215.03537	0.6
215.07082	0.8
225.05466	0.5
227.03450	0.9
229.05083	1.8
231.06465	0.5
241.05142	1.2
255.06738	3.6
256.07452	2.0
257.11853	3.0
263.10898	0.6
275.07333	0.9
275.10831	0.8
277.08771	1.0
279.06668	0.5
283.09677	0.5
288.08319	0.6
289.08810	1.3
290.09436	0.9
291.07166	0.6
291.10150	2.3
293.04874	0.8
293.08032	0.8
303.06583	0.5
303.10260	0.5
305.08237	0.7
305.11700	0.6
307.09830	3.0
317.08221	1.6
318.09033	1.4
319.06207	0.8
319.09763	3.1
320.10196	0.9
321.04092	1.1
321.07639	1.1
321.11200	0.7
330.25174	0.5
331.09839	0.7
333.07733	1.6
334.08475	1.5
335.05768	0.7
335.09302	13.6
336.09946	2.7
345.07910	0.6
346.08704	0.8
347.09299	3.8
348.10046	5.1
349.07144	0.9
349.10809	4.2
350.11179	0.6
359.09076	1.2
362.08051	3.8
363.08768	14.5
363.13104	0.8
364.09402	5.9
365.10291	1.4
375.08621	0.8
377.10367	12.5
378.11069	4.3
379.11880	1.6
388.12958	0.5
393.10037	0.7
400.13455	0.6
405.13501	3.1
406.14258	3.8
407.14758	0.8
410.10239	0.9
415.11823	0.7
417.13809	0.6
418.14383	4.2
419.15201	2.7
420.15433	0.7
431.15186	1.8
433.12964	6.0
434.13763	16.4
435.14108	2.0
447.14798	1.2
448.15356	1.7
449.16144	100.0
450.16483	13.6
459.00720	0.6
583.18378	1.6
593.20874	0.9
653.22540	77.3
654.22852	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	653.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	60.3
59.01267	21.8
69.03313	5.5
71.01284	14.4
71.50767	3.4
71.51150	2.9
73.02831	4.5
83.01293	23.5
85.02841	7.3
89.02335	3.1
94.18076	2.2
95.01261	3.6
96.95881	5.4
97.02850	14.7
99.04422	38.9
101.02349	25.2
113.02335	8.0
125.02372	100.0
126.02782	2.8
143.03424	5.4
161.04536	3.0
167.03464	3.9
203.05559	3.1
216.65456	2.3
250.69992	2.5
329.08780	8.8
369.11719	2.8
371.09970	3.2
431.12036	63.0
432.12418	6.7
524.22571	3.0
578.14258	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	653.1738
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
55.01778	0.4
57.03328	0.7
59.01270	1.7
69.03349	0.7
70.93754	1.0
71.01270	3.7
72.99206	0.8
73.02845	0.9
79.01781	0.7
81.03360	0.5
83.01285	0.7
85.02843	2.9
88.98698	0.4
89.02350	0.6
93.03336	0.7
95.01293	1.3
99.00772	1.6
101.02370	1.9
107.01283	0.4
107.04955	0.4
108.02080	53.6
109.02900	11.6
111.00818	0.4
113.02364	1.8
114.05759	0.3
119.04943	0.5
121.02865	3.8
123.00795	0.9
123.04415	0.7
125.02375	0.7
133.02867	0.8
134.03653	0.5
135.00804	0.8
135.04453	1.6
140.62401	0.3
147.04477	1.3
148.64844	0.4
149.02385	18.5
150.03175	4.8
151.00371	0.5
151.03998	1.8
152.01091	100.0
153.01828	5.2
161.02354	0.4
161.04500	1.1
163.03944	4.4
164.04732	12.3
165.05547	2.3
166.02689	0.7
167.03476	1.4
171.16562	0.3
175.00343	1.1
175.03966	0.4
176.01117	1.6
177.01822	1.3
179.03455	1.2
179.07126	1.2
183.06880	0.3
190.02701	2.7
191.03470	2.8
194.02165	2.3
205.05057	1.8
207.03011	0.9
208.03726	0.5
209.04549	8.7
223.06108	6.9
224.06340	0.5
258.31631	0.3
269.04614	1.8
270.73929	0.3
271.08270	0.5
297.06253	0.7
298.04810	0.5
315.07327	1.4
425.78583	0.4
429.10477	12.0
429.16385	0.7
430.10724	1.1
447.11551	29.0
448.11798	2.9
461.06924	0.4
461.13217	0.5
563.13971	0.8
593.15509	0.7
653.17365	73.0
654.17725	14.2
656.21155	0.4
665.64240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.9
59.01263	3.4
61.98710	1.7
67.53481	1.0
71.01271	6.8
71.15403	2.2
72.99198	74.3
73.02838	1.9
73.99516	1.0
83.01272	2.7
83.03287	1.0
85.02847	3.8
89.01518	0.9
89.02348	1.2
93.03359	1.2
95.01225	1.3
99.00761	1.5
101.02357	3.5
107.01300	2.9
108.02077	67.8
109.02879	28.2
110.03174	1.0
112.65115	0.8
113.02335	1.7
117.03345	1.0
119.04912	2.9
121.02876	3.1
121.53889	0.9
123.00794	1.3
123.04451	3.4
123.63396	1.0
125.02348	5.8
125.06354	0.9
133.02861	3.0
135.00795	2.3
135.04420	2.5
137.02345	1.1
145.02847	1.2
149.02365	1.6
151.00304	12.0
151.03964	2.4
152.01093	78.6
153.01883	37.2
154.02203	1.9
162.03026	1.0
162.84395	0.9
163.03937	2.9
165.01917	3.7
166.99690	1.0
167.03447	3.6
175.03931	1.0
176.01038	2.2
177.01892	34.7
178.02223	1.4
178.99815	1.1
193.01273	1.4
202.79907	0.9
209.04477	1.2
268.03915	2.2
269.04584	12.4
270.04990	2.1
271.06122	5.5
285.03946	1.3
315.07272	100.0
316.07529	5.9
339.07260	50.5
340.07498	3.1
344.50876	1.0
353.60358	1.1
357.08392	1.0
363.69635	0.9
383.06284	45.0
384.06583	3.6
388.68628	0.9
401.07318	21.5
402.07889	1.4
577.15948	6.3
578.15906	1.2
579.17255	17.7
580.17487	2.9
653.17279	10.0
654.17859	2.2
673.75897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76311	0.6
55.01761	1.1
57.03328	1.0
58.00450	0.6
59.01263	7.2
61.98702	2.0
71.01269	17.1
71.52486	0.7
72.99191	0.6
73.02840	4.2
75.00754	1.0
75.89021	0.6
76.19211	0.5
78.95777	0.8
80.10033	0.5
83.01279	2.6
85.02848	5.2
85.89455	0.5
87.00776	4.3
89.02325	1.8
95.01287	1.1
96.95914	1.0
99.00793	2.9
100.16264	0.5
101.02348	9.5
109.02898	0.8
113.02367	5.1
123.04417	1.1
125.02350	1.4
130.99785	1.8
132.02933	1.5
135.04366	0.7
137.02354	0.9
143.03387	0.6
149.02336	0.8
159.02917	0.7
161.04453	2.2
165.05507	2.2
168.56900	0.5
205.12321	1.6
207.13918	0.9
221.15413	0.7
223.17090	1.2
224.47118	0.6
248.42764	0.5
249.18625	0.6
254.04306	1.3
265.18170	4.5
267.19696	2.3
281.05225	0.7
334.78281	0.6
427.23523	6.4
429.25009	2.5
445.37076	1.2
447.31271	0.6
509.74957	0.7
607.41644	1.6
651.41235	100.0
652.30688	1.1
652.41553	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.1
57.03343	7.1
59.01264	70.0
59.39048	0.7
61.98714	3.6
71.00905	1.5
71.01269	21.9
71.59969	1.0
72.99191	2.0
73.02827	8.4
75.00761	1.1
81.03320	0.8
83.01263	4.1
83.04907	2.2
85.02838	10.8
87.00773	5.7
89.02348	5.0
93.03364	1.3
95.01283	2.6
96.95917	1.6
97.06519	1.4
99.00795	4.2
101.02345	16.0
107.04954	4.8
108.02084	0.8
109.02842	1.5
111.00761	0.9
113.02362	11.3
115.99611	0.7
116.92746	0.9
119.04942	1.4
120.05706	1.2
121.02828	2.3
122.05957	1.1
125.02366	4.8
129.01869	1.1
133.02855	0.9
133.04947	1.2
135.04453	4.3
137.02303	1.1
143.03419	1.1
145.10178	0.8
148.01526	0.7
148.13443	0.7
149.05951	0.9
151.00278	1.6
152.01060	1.2
159.02919	2.7
161.02356	1.7
161.04507	11.4
161.09630	9.4
161.13300	5.5
163.11273	5.7
164.11555	0.7
165.01822	0.8
175.03870	0.9
179.10687	1.1
187.11235	13.3
188.11595	1.4
189.09201	5.2
203.10791	0.9
205.12315	11.0
206.12650	0.8
207.10262	8.2
223.13388	21.5
224.13799	1.0
249.08763	0.8
249.11353	15.5
249.13835	1.6
250.11560	0.9
267.12402	11.9
268.12695	1.0
269.10355	9.1
282.42307	1.1
351.08588	1.4
381.43008	0.9
383.14093	1.0
401.14612	36.3
402.14868	3.0
429.26471	1.0
447.31244	1.0
581.54779	0.8
607.36768	3.7
615.20966	1.6
633.26227	1.3
651.26648	100.0
652.17487	1.3
652.27106	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	651.4127
Annotation	Bryonioside D
Peak:m/z	Relative Intensity
50.80045	0.4
51.92155	0.4
55.01766	1.2
57.03324	1.2
58.00486	0.5
59.01263	11.0
59.98421	0.4
61.98719	4.7
69.84202	1.9
71.01270	20.7
71.04904	1.9
72.99185	1.0
73.02831	5.2
74.87073	0.4
74.93237	0.4
75.00751	0.6
83.01272	3.3
85.02844	8.3
85.99998	0.7
87.00774	1.5
88.23798	0.4
89.02339	1.5
93.03354	0.7
95.01271	0.9
97.02820	0.7
98.19868	0.5
99.00770	3.1
101.02338	10.4
108.02091	0.5
109.02899	0.9
111.00796	0.6
113.02346	5.9
115.67709	0.4
119.03416	0.6
121.02847	1.0
125.02375	1.5
125.09742	0.4
129.01842	0.5
133.02940	0.7
135.04446	0.8
137.02347	0.9
143.03453	0.4
149.06065	0.9
151.00288	0.8
153.01868	0.4
159.02927	1.0
161.02440	0.5
161.04472	2.3
165.05542	0.8
175.02473	0.4
205.12343	0.6
213.19551	0.4
223.17097	1.1
235.96089	0.4
249.18619	0.9
265.18076	3.5
267.19693	1.7
285.04056	0.5
389.02661	0.5
427.23459	5.1
428.23685	0.7
429.25095	1.7
445.36774	1.3
453.15811	1.0
651.41309	100.0
652.18427	0.6
652.41620	16.9
669.54810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45059	1.4
55.01780	1.7
57.03331	5.6
59.01266	85.6
61.98706	5.0
69.54708	1.4
71.01273	34.5
71.51305	2.4
71.51720	1.7
72.99214	2.9
73.02834	14.0
83.01270	6.3
83.04887	2.9
85.02837	15.4
87.00765	11.0
89.02341	8.1
93.03354	2.4
95.01269	3.3
96.95924	2.8
97.02895	1.7
97.06469	2.5
99.00749	8.6
101.02350	21.1
107.04919	5.9
108.27110	1.6
109.02908	2.0
113.02360	14.7
117.03374	1.8
117.05518	4.5
119.04925	5.2
120.05653	1.9
121.02821	2.2
125.02341	4.2
135.04424	5.1
137.02335	2.0
145.02855	2.6
147.04453	1.7
152.01050	2.7
157.06549	1.8
161.04492	15.4
161.09656	11.3
161.13313	7.5
163.11215	6.9
165.05518	2.5
174.44266	1.6
179.10690	1.9
187.11264	18.0
189.09184	6.4
205.12379	10.9
207.10242	11.0
223.13406	25.5
249.11378	15.4
267.12433	15.8
269.10297	10.0
283.06186	2.2
353.25049	1.9
401.14584	36.8
402.14890	3.0
531.31671	10.3
547.35101	1.7
548.51337	1.5
549.32501	2.4
583.44568	1.9
591.34070	4.0
607.36127	5.4
651.26648	100.0
652.26898	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	651.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.8
57.24796	0.4
59.01266	4.3
61.81102	0.5
61.98716	2.0
63.02285	2.2
65.00213	12.3
65.04518	0.4
68.50028	0.5
71.00594	1.0
71.01269	5.0
72.99201	1.0
73.02828	1.5
83.01278	10.1
83.04919	0.6
85.02834	2.8
87.00781	1.0
88.98723	0.8
89.02370	1.1
93.03360	7.8
95.62016	0.5
95.99687	0.5
96.95940	0.8
99.00770	0.8
101.02342	4.2
107.01302	23.9
108.02153	0.8
109.02840	0.6
111.00809	0.7
113.02345	2.2
117.03389	1.0
119.04948	46.9
120.05279	4.5
121.02876	0.9
123.04400	0.6
123.08024	0.8
125.02370	5.3
127.00320	0.7
133.02861	0.5
136.01563	1.4
137.02298	0.7
143.04961	1.0
145.02895	4.3
147.08121	0.6
149.02383	1.2
151.00314	100.0
152.00652	7.7
161.06015	1.5
162.05516	0.8
163.03908	0.6
164.01106	1.9
165.01872	4.0
165.05592	0.7
165.64378	0.5
169.01407	3.0
170.01775	0.6
171.11729	0.5
175.00331	2.2
177.01886	8.2
178.02182	0.9
179.50510	0.5
181.06390	0.5
185.06027	2.1
187.02388	0.5
187.03975	2.3
190.02705	0.6
193.01288	2.4
196.00174	0.9
203.07083	0.9
205.01401	1.0
223.06094	0.9
227.07161	2.6
229.05061	0.9
235.02547	1.7
239.03763	0.5
269.04727	1.0
270.05090	0.6
271.06186	88.4
272.06528	25.2
272.09525	0.8
273.06845	1.5
281.13992	2.2
282.05338	1.0
282.14297	1.3
283.14709	0.8
297.07785	3.6
299.09262	0.8
313.07306	2.6
325.07361	0.7
339.07196	1.2
373.09299	0.7
378.14029	1.2
459.11594	10.9
460.12057	0.5
482.19437	0.6
493.49228	0.7
497.02759	0.6
547.31372	1.7
579.17316	89.8
580.17731	12.0
607.33527	1.2
650.21130	2.5
650.34283	1.0
651.21100	13.5
651.36664	3.2
652.21515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12013	0.4
56.71318	0.4
57.03331	0.8
59.01258	3.9
61.98713	1.2
63.02275	2.4
65.00209	11.9
65.65292	0.5
68.06465	0.5
68.99698	0.6
71.01260	3.1
71.54037	0.7
72.99200	0.8
73.02837	0.9
81.03370	0.6
83.01276	8.1
85.02849	0.8
87.00751	1.2
88.98697	0.6
89.02351	1.6
90.60484	0.4
93.03354	5.7
95.01273	0.5
96.95940	1.4
97.02876	0.4
99.00790	0.6
101.02330	1.8
106.72319	0.4
107.01297	21.4
108.02071	1.5
109.02855	0.7
111.00842	0.5
113.02373	1.2
116.92774	2.1
117.03405	1.2
119.04946	42.9
120.05280	1.3
121.02855	1.1
123.00777	0.6
123.04497	0.7
125.02368	6.0
133.02859	0.6
134.03639	0.6
135.00792	0.6
135.04449	2.4
136.01614	1.4
137.02377	1.5
143.05013	1.1
145.02888	5.1
149.02373	1.4
151.00311	100.0
152.00629	3.6
153.01901	0.8
161.02429	0.8
161.06053	1.3
163.00307	0.4
163.03984	0.8
164.01160	2.2
164.03487	0.8
165.01869	3.8
166.04997	0.7
166.99893	0.6
167.03423	1.1
169.01401	3.4
175.00317	2.0
176.03423	0.8
177.01897	7.5
178.02309	0.5
179.03497	1.1
184.20299	0.5
185.06032	2.3
187.03949	2.4
193.01372	2.9
193.05057	1.0
196.00108	1.2
205.01364	1.5
214.24966	0.4
214.71786	0.5
217.01402	0.8
219.03038	0.5
227.07117	2.7
229.05098	1.0
235.02516	2.0
255.03032	0.9
269.04608	0.7
270.05103	1.3
271.06180	65.6
272.06525	5.4
283.02591	0.6
284.03278	0.8
299.05655	1.2
313.07263	2.8
326.06650	1.4
339.07272	1.6
400.52457	0.5
459.11642	11.1
460.12018	1.1
477.90878	0.5
541.14545	0.5
579.17310	95.1
580.17615	15.0
607.17078	0.6
611.17279	0.5
634.18073	1.4
651.18463	1.6
652.18073	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	650.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45757	2.4
59.01258	6.1
67.71696	2.2
69.37684	9.3
69.38111	13.1
71.01273	7.4
71.04923	2.3
73.02854	3.1
81.03371	2.8
83.01264	8.6
85.02833	5.3
87.00766	2.7
89.02338	2.9
92.78130	2.3
93.03366	2.9
95.01326	2.8
96.95909	3.5
97.74331	2.2
101.02347	6.6
113.02369	4.1
117.03322	5.1
119.04952	6.5
119.76520	2.1
121.02889	2.7
123.04433	5.2
125.02328	4.5
135.04552	2.4
137.02371	4.2
142.53008	2.2
149.02365	3.4
152.22873	2.4
163.04077	2.8
165.01848	2.4
167.03444	3.4
177.01891	4.5
177.04254	4.1
179.03378	3.7
180.04222	3.3
193.05057	2.5
205.03583	3.8
207.03055	3.1
209.04689	3.7
215.03477	2.7
219.02991	3.4
235.02499	4.6
248.09309	3.2
283.06088	4.5
296.06891	3.9
297.07608	5.5
298.04968	4.0
311.05759	3.6
323.05444	3.3
325.07202	4.2
327.04959	4.6
339.05157	4.8
353.06628	17.1
368.09882	14.5
369.05984	8.7
382.09323	3.7
383.07788	8.9
392.07733	3.3
399.07199	3.2
410.08920	8.7
412.10663	3.3
422.09055	4.3
440.09967	12.5
459.09619	3.9
470.11374	3.7
473.10880	5.0
488.14395	5.5
512.12402	5.9
530.13159	26.0
593.15009	19.9
609.15125	6.3
632.15955	10.1
650.17419	100.0
651.17487	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	649.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79837	0.7
55.01775	1.3
57.03321	1.6
58.00491	4.2
59.01263	65.1
60.01564	1.1
60.92886	0.7
61.98708	1.2
69.03345	2.0
71.01271	33.3
72.10873	0.9
72.99213	6.8
73.02840	29.1
75.00760	2.6
81.03310	0.8
83.01279	2.0
85.02847	12.6
86.00011	1.2
87.00770	13.0
87.04400	3.7
89.02344	24.7
91.40936	0.8
94.08891	0.8
95.01268	0.9
96.95896	2.2
97.02829	1.5
98.19780	2.0
99.00806	1.5
99.04421	1.4
101.02348	57.7
103.03916	23.0
105.01839	1.1
108.02087	1.0
109.02845	1.2
113.02341	4.8
115.00291	1.1
115.03907	5.7
117.03389	0.7
119.03426	9.5
125.02364	4.2
127.03911	2.0
131.03433	10.6
133.02794	0.8
137.02342	1.1
143.03432	12.1
145.05043	7.7
149.04463	2.3
150.03116	1.2
151.00313	1.2
152.99141	0.9
160.25464	0.9
161.02377	0.8
161.04398	1.2
162.35199	0.9
163.06070	100.0
164.06390	1.9
165.01895	1.0
165.05516	1.2
175.02408	1.5
205.05270	1.3
205.07176	21.2
233.15463	2.0
235.08171	1.8
251.16542	1.2
265.09402	10.1
287.16486	0.9
307.10550	1.6
307.14026	3.0
323.63480	0.9
325.11438	3.3
448.95520	0.9
529.26392	2.3
559.19550	1.5
559.27887	28.1
560.28375	4.3
571.27655	4.1
613.28650	3.5
649.27136	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
55.69984	0.6
57.03337	1.3
58.00472	3.6
59.01264	69.7
60.01584	0.7
61.98715	1.6
65.00197	0.6
69.03336	1.9
69.43176	5.5
71.01269	35.1
72.99203	5.8
73.02834	30.0
75.00785	1.0
81.03360	0.7
82.14980	0.5
83.01273	2.4
83.04925	0.9
85.02843	14.9
86.00005	1.5
86.03149	0.6
87.00770	12.2
87.04420	4.1
88.98715	1.0
89.02338	24.6
93.03343	1.3
95.01273	0.9
96.58070	0.5
96.95913	1.8
97.02856	1.3
99.00774	2.3
99.04420	1.5
101.02346	61.3
102.02671	1.4
103.00318	1.5
103.03907	20.9
107.01305	1.2
108.02088	1.9
109.02808	0.9
111.00775	0.8
113.02360	5.5
114.93353	0.5
115.03916	6.6
115.63122	0.6
116.61002	0.5
116.92759	5.9
117.03346	1.5
119.03412	9.9
123.04430	0.7
125.02368	4.6
127.03938	2.1
131.03416	12.0
135.04407	1.6
137.02348	2.7
141.05531	0.6
143.03429	14.4
143.04550	0.7
145.04996	5.4
149.02391	0.8
151.00296	1.9
151.03804	0.6
152.01106	2.9
153.01854	1.4
161.02428	1.0
161.04463	1.8
163.06068	100.0
164.06444	3.0
165.04036	0.7
175.03993	1.1
177.01891	1.1
179.03395	0.6
179.05606	1.1
205.07149	21.9
206.07564	0.7
233.15483	2.2
235.08139	1.7
245.15477	0.9
253.05203	0.9
265.09308	12.2
265.12018	0.9
266.09741	0.8
287.16708	1.1
289.09396	0.8
295.06223	0.8
296.06738	0.9
297.04202	0.9
297.07706	2.2
307.10599	1.1
311.05630	0.8
315.07327	1.7
323.05606	0.8
325.07468	1.1
325.11456	3.7
335.05670	1.6
337.07162	0.8
353.06540	3.2
354.07330	0.7
365.06741	1.2
383.07748	4.3
395.08087	0.8
425.08542	4.0
427.19791	3.1
443.10098	1.8
473.11438	0.8
515.11737	0.8
529.26294	1.1
545.12970	4.0
546.13239	0.7
559.27704	32.8
560.28149	3.7
563.14209	3.9
571.27588	7.1
605.15222	8.3
606.15607	1.4
611.16083	1.4
613.28595	3.8
649.17487	1.3
649.27972	1.4
661.84937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85297	0.2
52.99613	0.2
57.03336	0.6
58.00449	0.2
59.01265	8.0
61.98720	1.3
63.15138	0.2
64.35767	0.2
65.00205	0.4
70.81664	0.5
71.01271	3.9
72.99220	0.6
73.02844	1.4
75.00767	0.3
81.03387	0.2
83.01271	1.1
84.13818	0.2
85.02839	2.0
87.00777	1.0
88.98697	0.2
89.02345	1.3
89.03878	0.4
91.05457	0.5
93.03376	0.9
95.01278	0.5
96.95918	0.7
97.02878	0.3
99.00787	1.0
99.04426	0.7
101.02348	3.1
105.01846	0.2
108.02129	0.2
109.02882	0.6
111.00793	0.2
113.02337	2.1
116.92758	0.5
117.03381	0.7
119.01321	0.8
119.04930	1.1
121.02872	9.8
122.03133	0.3
123.04419	0.2
125.02388	1.8
131.07028	0.3
132.02055	1.0
133.02867	0.2
134.03656	0.4
135.04471	1.7
137.02417	0.4
139.03844	0.2
143.03453	0.4
144.04526	0.4
147.00862	0.5
147.04440	3.4
148.04881	0.2
149.02383	57.1
150.02725	2.5
151.00354	0.6
151.03935	0.4
152.01067	0.5
153.01863	0.3
159.03033	0.3
161.02403	0.7
161.04466	1.5
163.03983	1.2
164.04741	49.5
165.01906	0.5
165.03964	0.6
165.05113	2.1
167.28946	0.2
169.05086	0.2
175.00333	4.6
175.03935	0.2
176.00775	0.2
177.01909	0.4
179.05548	0.2
179.07086	5.3
190.02686	10.0
191.03152	0.7
193.01436	0.5
193.04950	0.2
196.58784	0.2
203.07184	0.2
205.05054	11.3
206.05385	0.4
208.03793	1.3
209.11800	0.4
220.21855	0.2
223.06122	100.0
224.06464	5.5
255.06839	0.3
269.04703	0.3
269.10318	0.8
285.04202	0.2
287.05579	0.3
297.07715	0.3
309.04169	0.2
342.14359	0.3
355.15616	0.7
383.13574	1.6
401.14700	0.5
425.14740	0.5
443.15579	1.4
487.18433	0.2
487.34656	0.2
605.33289	0.3
649.21558	2.7
649.38544	1.0
650.22125	0.6
669.91376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58809	0.4
54.86718	0.4
55.01744	0.5
57.03323	1.9
59.01264	13.0
61.98709	2.6
67.01766	0.6
69.03325	0.8
71.01267	14.1
71.54457	0.6
72.99185	1.0
73.02831	3.8
75.00768	0.7
79.05405	0.5
81.03320	0.8
83.01283	2.4
83.04904	1.2
85.02845	5.5
87.00771	1.8
89.02343	2.2
93.03340	1.0
93.90524	0.4
95.01277	0.9
95.04935	1.1
95.69836	0.4
96.95891	2.2
97.02847	5.6
99.00763	2.5
99.04405	2.6
101.02339	10.1
102.45103	0.4
105.06965	1.3
107.04934	1.0
108.02036	0.5
108.05701	3.1
109.02853	3.3
109.06492	1.6
111.00793	0.6
111.04433	5.8
111.08066	1.1
113.02354	6.0
113.05989	5.1
116.92728	0.4
119.03391	0.7
119.04931	2.9
119.08597	1.7
121.02862	1.2
121.06503	1.4
122.03651	4.4
123.04424	0.8
123.08085	5.0
124.05190	0.6
125.02406	2.7
125.05995	5.2
125.09624	0.5
129.01796	0.5
131.03365	0.5
133.02824	0.4
135.04453	1.2
135.08067	0.9
136.05231	6.3
137.06015	2.9
137.09650	0.9
138.06796	8.3
139.07578	15.8
140.07899	0.5
143.03418	0.7
145.02884	0.9
148.05223	3.0
149.02382	0.5
149.06035	2.2
151.00294	1.7
151.04030	1.0
151.07590	34.7
152.01059	0.6
152.04752	3.7
152.08372	16.1
153.09161	7.0
159.02943	1.0
159.11737	1.0
161.04524	5.7
161.09633	2.7
163.03923	3.5
163.07593	4.5
163.11296	0.6
164.04706	0.9
164.08275	0.6
165.05479	0.5
167.07079	2.0
177.09169	0.4
177.12712	0.5
179.07080	0.7
185.09636	1.0
186.10483	0.6
188.08385	0.8
189.09140	1.8
189.12827	0.6
201.12827	17.3
202.13136	0.7
203.10754	7.8
204.11543	25.4
205.11906	1.5
205.18816	0.4
219.13902	49.1
220.14250	3.2
245.11922	0.8
263.12927	100.0
264.13278	6.0
269.04584	1.1
269.10339	5.4
271.05972	1.0
277.04929	0.5
284.33499	0.4
330.22144	0.4
399.27753	0.5
401.14597	52.7
402.14911	4.3
535.72522	0.6
545.13177	0.7
602.36450	0.8
603.35626	1.6
616.81268	1.1
617.31445	0.7
647.20135	0.6
647.26855	2.6
647.38019	2.9
648.27466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.9
65.03841	2.6
67.01769	0.9
69.03329	0.7
69.52742	3.1
69.53178	2.3
74.52240	0.6
77.94390	0.7
79.97118	0.6
81.03355	0.8
91.05428	8.1
93.03356	2.3
97.02805	1.1
98.19849	1.3
107.04944	0.8
108.02084	4.3
109.02861	33.4
110.03181	0.8
119.04966	0.6
119.05923	0.6
121.02869	28.4
122.03674	1.1
123.04447	5.3
124.70218	0.6
133.02878	6.0
133.06444	0.6
134.03656	8.6
135.04448	78.9
136.04796	2.9
145.06497	0.9
146.03658	1.1
147.04457	16.3
147.08095	10.0
149.02509	0.6
149.05968	2.5
159.04449	2.6
161.06029	4.4
161.09689	0.8
171.04462	1.6
171.08128	0.7
172.05197	0.8
173.06018	5.4
174.06728	1.6
175.07645	5.8
183.08006	1.0
185.06035	2.3
187.07605	8.9
188.08147	0.9
189.09183	23.4
190.09518	1.5
199.07559	3.5
201.09186	20.0
202.09482	0.7
203.10719	0.9
210.06828	0.7
213.09203	7.6
214.09976	1.4
215.07121	1.1
215.10728	1.7
223.07584	0.9
225.09186	3.5
227.07104	1.6
227.10782	1.7
228.04286	1.3
229.12363	5.2
239.07248	1.5
239.10779	4.3
240.11308	0.7
241.08609	0.9
241.12321	11.0
242.12570	0.6
243.13922	17.4
243.16425	1.0
244.14175	1.2
251.07195	3.1
253.04999	1.0
253.12402	3.5
254.05934	4.7
255.13951	20.4
256.14252	1.1
257.08224	12.6
260.85077	0.7
267.06763	1.0
267.13986	4.9
269.08237	67.2
270.08661	6.1
283.09866	4.4
308.10471	0.9
309.11307	1.7
323.12949	81.4
324.13312	7.3
333.18732	0.9
337.14496	2.0
347.13083	0.9
361.14841	0.9
377.17657	66.3
378.17932	8.1
389.17685	6.9
390.18164	1.1
447.15735	0.6
460.11783	0.8
521.64288	0.7
647.26630	100.0
648.26880	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	647.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31195	0.4
59.01257	0.5
59.06117	0.4
61.98709	0.8
65.03857	1.9
67.01771	0.8
71.25571	1.0
77.23325	0.4
91.05434	5.2
93.03362	1.2
96.95952	0.4
97.02845	0.8
107.04896	0.6
108.02087	1.5
109.02866	17.1
115.91006	0.4
118.79958	0.4
121.02880	10.8
123.04417	1.0
125.49413	0.4
125.96729	0.4
130.04185	0.5
131.08531	0.6
133.02914	2.3
133.06535	0.7
134.03671	3.8
135.04453	39.2
136.04787	1.3
141.07034	0.7
145.06493	0.5
147.04446	4.3
147.08104	8.5
148.08456	0.5
149.06000	2.3
155.08690	0.4
157.10207	0.6
159.04475	1.6
159.08040	0.4
161.06018	3.8
161.09641	1.1
169.06435	0.4
171.04488	1.2
171.08096	0.9
172.05276	0.8
173.06010	3.8
174.06841	2.0
175.07591	5.1
176.07854	0.4
185.06062	1.8
187.07639	8.7
188.08147	0.7
189.09193	23.9
190.09550	1.4
191.07146	0.4
197.06175	0.6
199.07664	1.9
201.09203	17.6
202.09508	1.0
203.10689	0.6
213.09212	3.5
214.09903	1.2
215.07138	0.5
215.10809	1.1
225.05716	0.4
225.09192	0.8
228.04362	0.6
239.10799	0.9
253.05096	1.5
253.12430	0.9
254.05905	1.1
255.13905	1.6
257.08240	5.0
267.06555	0.5
268.07227	0.5
269.08310	3.7
281.12039	0.5
283.09824	5.6
305.11792	1.0
307.09845	0.5
308.10602	0.7
309.11432	2.2
310.11398	0.4
323.12958	100.0
324.13318	7.7
337.14462	2.5
363.16028	0.5
377.17648	3.8
389.17682	4.3
390.17960	0.8
647.26678	38.0
648.27039	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	647.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.7
60.15526	0.5
61.98719	1.0
65.03860	1.5
67.01761	0.5
69.51810	3.9
71.01297	0.5
74.25694	0.5
78.95814	0.5
82.68202	0.5
83.76041	0.5
91.05426	4.9
93.03345	1.1
96.95905	2.2
101.57133	0.6
106.04090	0.5
107.04850	0.6
108.02074	1.5
109.02147	1.0
109.02859	15.5
110.03190	0.6
116.21929	0.4
120.00181	0.5
121.02863	9.8
123.04460	1.0
132.27475	0.5
133.02852	2.3
133.06453	0.6
134.03658	4.6
135.04443	38.8
135.08028	0.6
136.04802	1.5
137.05991	0.7
145.06471	0.5
147.04437	5.9
147.08069	6.9
149.06015	2.5
159.04442	1.5
161.06032	3.4
169.06409	0.5
171.04445	1.4
172.05223	0.6
173.06044	3.0
174.06767	1.5
175.07588	6.0
185.06038	1.4
187.07611	8.4
189.09169	21.8
190.09514	1.1
195.11830	0.7
199.07594	2.2
201.09180	18.8
202.09515	0.8
204.46892	0.5
213.09163	3.7
227.49768	0.6
253.05180	0.7
253.12259	0.9
254.05827	0.9
255.13914	1.2
257.08188	5.9
269.08243	4.0
277.21939	0.6
281.11734	0.7
283.09808	5.8
284.10205	0.6
308.10489	0.9
309.11429	1.8
323.12939	100.0
324.13275	7.8
337.14520	2.1
363.16443	0.7
377.17538	3.0
389.17557	4.7
647.26636	32.5
648.26965	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	647.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
57.03338	0.9
58.00498	0.5
59.01265	11.2
61.98705	2.6
67.94257	0.7
69.95837	0.6
71.01264	6.8
72.99203	1.0
73.02843	0.8
74.04567	0.6
75.00750	1.3
83.01303	0.6
85.02826	2.6
87.00765	2.2
89.02347	3.2
96.95949	0.8
99.00798	0.8
101.02340	2.7
105.49024	0.7
108.02061	0.8
113.02341	1.7
117.37572	0.6
121.02872	0.9
125.02335	1.4
130.53967	0.6
133.02934	0.7
134.03667	0.7
135.04419	1.1
151.00345	0.8
151.04047	0.7
203.07103	2.4
215.03433	1.0
267.06720	0.8
270.04761	0.7
283.06082	1.0
295.06134	1.0
311.05548	4.2
312.06287	1.1
323.05667	16.3
324.06061	2.1
335.05753	1.6
351.08792	1.3
363.08548	0.8
365.10431	0.9
366.11154	10.0
367.11795	0.8
377.10260	3.4
378.10828	1.4
379.12033	1.3
381.13467	9.1
382.13907	0.9
393.13449	5.5
395.11484	1.6
404.12802	1.3
419.15448	0.8
434.13834	2.0
437.16177	3.4
449.16168	4.1
452.14755	2.2
467.17142	3.2
485.17899	1.0
632.21008	1.9
647.23566	100.0
648.23907	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	647.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
59.01265	4.2
60.99185	3.3
61.58119	0.2
61.98721	2.1
70.75527	0.9
71.01263	2.4
73.02832	1.0
75.00761	0.7
75.94476	0.3
83.01274	0.7
83.06461	0.3
85.02843	0.7
87.00764	0.4
88.98698	18.9
89.02337	0.7
89.98990	0.3
93.03340	0.3
95.01307	0.5
96.95882	0.3
99.00761	0.4
101.02354	1.4
107.01305	0.3
107.04913	0.3
108.02068	0.3
109.02845	0.6
113.02382	0.5
116.92752	0.5
119.05003	0.6
121.02869	0.8
123.04498	0.3
125.02328	1.0
125.05762	0.3
126.54693	0.2
133.02876	0.7
135.04449	0.8
137.02342	0.6
146.64777	0.2
147.04428	0.4
149.02347	0.3
151.00262	1.0
151.03969	0.4
161.02385	0.7
161.04488	0.3
164.56876	0.3
175.03864	0.4
187.07616	0.3
187.11198	0.3
199.04068	0.4
235.09732	0.8
236.10081	0.4
254.05756	0.5
254.84653	0.3
269.04514	0.5
271.06216	0.5
281.04568	0.7
282.05399	0.9
287.53012	0.3
295.06076	0.7
307.06265	1.2
310.05008	0.3
311.05560	0.3
314.04218	0.4
322.05032	0.4
323.05615	1.5
323.12878	0.6
324.06317	0.7
325.07193	1.0
335.05685	0.9
337.07193	1.7
337.10861	12.8
338.07486	0.4
338.11243	1.2
349.10825	2.8
350.11456	0.9
351.12454	2.6
352.12994	0.5
356.05441	1.0
361.10999	0.4
363.12585	1.2
365.10327	5.6
366.10953	1.6
367.11783	0.5
377.10233	1.2
377.14417	0.6
378.10962	0.4
379.11920	9.6
380.12668	5.5
381.13434	1.6
391.11942	2.6
392.12549	1.1
393.13721	1.7
395.11142	0.7
405.13498	1.8
409.13058	1.0
419.15186	0.5
421.13055	0.6
423.14639	1.6
433.12857	0.7
435.14655	0.7
436.15076	0.4
441.15726	5.5
442.15958	0.6
444.36639	0.3
447.14368	1.1
448.14920	0.6
449.15985	0.4
451.14114	1.0
454.16272	0.3
455.17242	3.4
456.17657	0.7
465.15509	0.6
466.16391	0.6
467.17078	0.5
469.15103	12.4
470.15372	2.0
471.16605	0.8
483.16708	9.6
483.21970	0.2
484.17407	7.1
485.18170	2.6
543.18903	2.2
547.74463	0.3
555.18640	0.8
559.18359	0.5
579.17523	0.3
599.21326	0.4
603.19769	0.6
603.33875	0.8
611.21497	0.9
629.22693	0.6
647.23566	100.0
648.23926	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	647.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.4
57.03328	2.1
58.00463	0.8
59.01267	17.7
60.99184	0.3
61.98719	5.4
63.17263	0.3
65.00204	0.3
68.99709	0.6
69.03322	0.5
69.28633	3.0
71.01272	26.1
71.04904	0.3
72.01582	0.9
72.99204	1.8
73.02448	0.5
73.02839	8.1
74.03151	0.3
75.00768	3.8
81.03336	0.6
83.00817	0.4
83.01281	6.0
85.02847	12.7
85.99976	0.8
86.03150	0.9
87.00764	3.5
87.04429	0.4
88.98701	2.2
89.02340	4.8
93.03362	2.3
95.01265	2.3
96.95914	2.2
97.02831	0.4
99.00162	0.5
99.00777	6.3
99.04402	0.8
100.01088	0.4
101.02351	15.9
101.05363	0.4
101.05982	5.4
102.02649	0.8
102.09311	0.2
103.03886	0.6
108.02050	0.4
109.02840	1.1
111.00838	0.3
113.02358	8.5
114.02653	0.7
115.03926	0.4
116.92764	1.9
117.03378	18.1
119.03384	1.3
119.04937	1.9
119.88256	0.3
121.02838	0.7
123.04361	0.3
125.02384	1.5
125.77701	0.3
127.03931	0.5
129.01807	0.3
131.03447	1.5
131.04955	0.4
133.02922	0.4
135.04419	0.9
135.08092	0.3
137.02367	0.6
139.00279	0.4
143.03424	2.1
145.02846	1.1
145.04901	0.3
147.04486	0.4
149.02373	0.6
149.06021	0.3
151.00337	0.6
151.07588	1.4
152.01012	0.3
159.02919	1.2
159.04330	0.5
161.02415	2.4
161.04486	5.3
162.04848	0.5
163.03925	1.1
163.06052	0.8
171.04472	0.3
171.55049	0.3
173.02406	6.4
175.00325	0.4
175.03920	0.6
177.05482	0.9
179.05640	0.3
180.15721	0.3
185.02394	3.7
187.02493	0.4
187.03979	3.2
189.01881	3.0
197.02483	1.8
197.71332	0.3
199.04123	0.3
201.01871	0.7
203.03419	0.7
205.03485	0.3
205.07187	1.0
213.01753	0.3
215.03488	3.9
216.03807	0.4
217.01405	4.4
221.06644	0.3
227.03503	0.7
227.12918	0.4
235.07674	0.4
241.01529	1.6
243.02925	0.3
245.04610	0.5
249.05513	0.4
251.07237	0.4
257.04672	0.4
260.09235	0.3
261.05569	0.9
263.07141	1.0
263.09558	0.7
265.05151	0.4
267.02893	0.3
269.04623	0.8
271.02640	0.3
271.06201	0.7
279.06503	0.6
281.04364	0.3
283.06058	0.5
289.05167	0.5
293.04703	2.1
294.04929	0.3
295.06125	0.4
305.04620	7.1
306.05350	6.1
307.06186	9.6
308.06573	0.9
309.04080	0.3
317.04523	0.9
319.06091	0.4
323.05685	0.7
323.12741	0.5
335.05695	30.7
336.06015	3.0
338.04425	1.2
347.05658	0.8
351.08600	0.4
353.06598	0.4
363.04828	0.3
365.06738	8.1
366.06906	0.6
377.06750	0.8
381.10007	0.8
407.07397	0.4
409.09369	0.7
423.11243	0.7
425.08862	100.0
426.09204	9.8
450.19061	0.4
455.10013	0.5
535.78772	0.3
545.13141	94.6
546.13489	10.6
557.77557	0.3
585.81000	0.4
587.17908	4.2
588.17529	0.7
603.33740	0.5
607.30481	0.4
607.80884	1.1
616.31079	14.8
616.81268	36.4
617.31415	13.7
617.41858	0.3
617.81573	3.2
624.31012	0.9
628.37262	0.3
629.26074	0.3
629.39221	0.9
636.78625	0.4
646.39618	0.6
647.19891	7.2
647.32074	1.1
647.37598	1.2
648.20123	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	645.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03348	0.6
59.01262	3.6
61.98710	1.4
70.65688	0.9
71.01271	5.0
72.99184	0.7
73.02835	3.0
83.01272	0.8
85.02834	2.7
87.00790	0.4
89.02326	0.8
95.01285	0.9
97.02882	0.3
99.00799	1.4
101.02344	3.8
103.40945	0.3
109.02850	0.3
113.02369	2.7
119.04957	0.4
125.02335	0.6
137.02406	0.3
141.07005	0.3
143.03424	0.5
147.04446	2.8
155.08614	2.3
157.10161	0.8
159.02966	0.4
159.04443	0.9
161.04488	1.9
170.07249	0.4
179.05492	0.3
183.08148	0.5
184.08875	0.5
185.06099	0.3
185.09682	4.5
187.07626	0.4
199.07608	1.4
200.08305	0.9
201.09125	1.8
201.26389	0.3
202.09969	32.8
203.10260	2.4
213.05611	0.4
217.12337	8.2
217.14464	0.4
218.12633	0.4
227.07164	2.2
228.07919	8.2
229.08365	0.6
243.10286	14.4
244.10596	1.0
246.09024	1.2
261.11353	100.0
262.11685	6.4
269.10336	1.4
293.50797	0.3
319.25302	0.3
322.71722	0.3
383.13898	1.8
384.13910	0.4
390.03397	0.2
401.14590	1.6
439.48004	0.3
543.01483	0.3
645.25720	7.2
646.25806	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	645.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	12.7
59.01267	2.0
61.98708	1.1
63.63338	0.3
65.03847	1.0
70.08292	1.6
71.01262	0.5
72.46721	0.3
74.43472	0.3
91.05447	1.9
93.03338	0.5
96.95920	0.5
99.04416	7.4
101.02339	4.1
105.79346	0.3
108.02049	1.8
109.02861	18.6
116.30865	0.3
121.02882	4.7
125.02367	10.4
133.02872	0.8
135.04448	25.5
136.04785	1.0
147.04453	7.1
155.90440	0.3
159.04448	1.6
160.05156	0.4
163.07539	0.5
166.05721	0.3
175.07614	0.9
184.08661	0.3
188.08369	0.4
189.09155	1.0
191.10757	2.6
201.09167	0.6
202.10023	0.7
207.10342	0.3
210.18011	0.3
215.10751	0.7
217.12334	4.3
224.68561	0.3
225.09431	0.5
227.07306	0.4
237.09285	0.5
239.07170	0.4
253.08636	0.3
263.07315	0.5
267.10217	0.5
269.08459	0.6
271.17050	0.5
280.14764	0.6
281.08276	3.1
281.11234	0.5
282.12738	0.5
297.15085	0.5
306.12622	0.6
309.11414	2.1
321.14993	1.4
323.13000	0.5
324.13724	1.7
333.20758	0.4
339.16068	100.0
340.16385	10.3
472.41238	0.4
483.20282	1.1
501.21259	0.9
645.25488	2.8
658.45453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	7.5
61.98722	2.4
65.00196	0.6
71.01263	3.1
71.59965	0.6
72.99191	0.5
73.02841	0.7
74.26486	0.4
75.00773	0.4
78.46769	0.4
85.02863	0.8
87.00773	1.6
89.02346	0.6
93.03350	0.5
95.14687	0.4
96.95919	0.5
99.00784	0.9
99.04378	0.6
101.02345	2.0
108.02064	0.7
109.02859	1.5
113.02349	0.8
121.02895	0.9
123.04532	0.5
125.02354	2.4
127.03906	0.8
131.58772	0.5
133.02843	1.1
135.04456	2.0
137.02377	0.9
139.03842	0.5
149.02368	0.9
150.03116	0.5
161.02414	0.8
161.04451	0.6
163.03909	0.6
164.04156	0.5
165.05389	0.8
173.06033	0.5
175.04007	0.6
177.01862	0.8
198.12251	0.5
201.01842	0.6
203.03578	0.8
209.11815	0.8
215.03525	1.2
217.04962	0.5
225.05605	0.6
227.03465	1.6
231.10110	0.6
233.04558	0.5
253.05215	0.7
255.06749	0.5
269.04593	0.5
283.06049	0.8
292.07297	0.4
293.04733	0.6
295.06525	0.6
297.03848	0.6
298.04865	0.7
309.04153	0.6
311.05588	0.8
312.06210	0.8
313.54758	0.4
323.05673	3.8
323.09146	0.7
324.06418	1.1
335.05649	0.6
341.06570	1.5
344.05435	0.5
351.08774	2.0
351.12527	0.6
356.05365	0.5
367.11807	3.2
369.13193	0.7
379.11914	13.3
380.12354	1.6
382.10370	0.6
395.11584	0.8
396.12042	1.0
397.12988	100.0
398.13348	12.2
585.36652	2.0
601.18921	1.4
645.22467	4.6
645.38135	1.7
646.21521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25629	12.0
55.01783	15.1
58.72682	11.2
59.01258	53.8
59.01541	10.9
61.98705	14.1
64.53470	10.7
67.01788	20.4
68.99694	21.9
69.03316	21.9
69.29866	100.0
71.01272	58.9
72.99188	21.1
73.02854	18.2
75.00775	16.9
75.42426	11.3
79.01790	17.0
81.03361	35.9
82.54391	11.7
83.01287	41.6
85.02838	17.8
87.00793	16.0
89.02352	25.6
93.03355	71.8
95.01277	43.5
96.95919	17.0
97.02860	43.1
98.19751	24.1
99.00785	36.0
101.02370	41.3
107.01317	41.9
108.02097	19.9
109.02867	57.4
111.00787	43.6
113.02386	25.6
117.03387	22.8
119.04956	31.1
121.02848	53.7
123.00796	45.4
123.04434	37.3
125.02390	92.3
127.00323	28.9
133.02963	26.3
135.00923	15.6
135.04446	23.7
137.02350	73.4
139.00301	29.3
139.03900	22.1
141.01859	45.9
145.02820	13.5
146.65651	12.4
149.02380	41.6
149.05948	15.1
151.00273	35.8
151.03955	42.1
153.01851	74.3
161.02321	24.5
163.00362	19.9
163.03941	19.6
165.01845	40.0
165.05457	13.7
167.03456	55.3
169.01363	38.5
172.05034	12.7
173.06033	12.5
177.01904	54.3
178.99850	35.9
179.03453	37.8
181.01347	33.3
181.30862	12.0
189.01917	33.0
190.02586	13.3
191.03484	39.0
193.01419	34.6
193.05074	19.5
195.02930	37.1
197.00906	14.5
201.01917	11.8
205.01483	25.0
205.05177	16.3
207.02911	30.3
209.00935	20.9
209.04477	26.6
217.01474	13.7
218.02388	18.3
218.08977	11.8
219.03026	39.3
221.01010	16.1
223.02470	42.9
235.02484	45.4
249.04208	13.1
265.03384	20.4
271.04639	42.3
273.06268	18.8
278.22275	16.1
311.04312	15.5
341.05737	13.4
346.48407	14.2
449.09589	82.1
450.09982	17.7
484.01898	14.0
499.76501	13.2
519.11530	13.3
521.09204	13.3
543.28461	15.1
601.11670	14.3
612.13525	13.8
645.14026	47.9
645.24463	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	82.1
61.98724	23.5
68.99707	24.7
69.03342	26.7
71.01268	47.7
72.99194	21.7
79.01784	16.6
81.03348	39.5
83.01277	52.6
85.02829	36.2
87.00772	29.2
89.02353	16.0
93.03358	56.9
95.01279	44.0
96.95905	31.1
96.99172	17.6
97.02856	39.6
99.00771	30.8
101.02355	28.9
107.01286	58.0
107.04881	18.5
108.02077	22.0
109.02856	75.9
111.00805	53.3
111.04414	15.5
113.02360	41.9
114.49342	13.7
117.03391	25.0
119.04887	14.4
121.02871	50.0
123.00806	33.0
123.04465	32.6
125.02363	100.0
127.00296	32.8
133.02927	22.0
135.00867	18.2
135.04488	25.1
136.01530	13.8
137.02356	86.7
139.00314	50.1
139.03906	28.3
141.01888	29.8
149.02383	55.9
151.00287	34.9
151.03961	55.2
153.01881	83.3
161.02368	33.4
163.00333	30.3
163.04025	19.9
165.01831	67.3
166.99780	16.0
167.03436	39.1
169.01404	32.5
173.02356	14.7
175.04012	14.5
177.01860	42.9
178.99843	32.9
179.03445	39.6
180.04195	21.8
181.01366	49.5
183.02934	20.4
191.03487	32.6
193.01398	59.5
195.02963	49.7
195.06697	30.3
203.03406	15.2
205.01375	45.6
207.02901	35.3
209.00877	27.7
209.04494	26.8
211.02364	22.7
219.02983	41.2
221.01091	20.0
223.02530	29.3
235.02444	50.6
257.04443	17.5
271.04758	16.1
273.06277	17.9
277.03516	19.7
295.04633	27.2
313.05774	23.9
325.05643	20.6
341.05258	17.1
375.14780	17.3
423.16705	32.6
433.10522	13.7
449.09534	65.3
513.75421	15.6
611.12665	30.7
645.13989	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25629	12.0
55.01783	15.1
58.72682	11.2
59.01258	53.8
59.01541	10.9
61.98705	14.1
64.53470	10.7
67.01788	20.4
68.99694	21.9
69.03316	21.9
69.29866	100.0
71.01272	58.9
72.99188	21.1
73.02854	18.2
75.00775	16.9
75.42426	11.3
79.01790	17.0
81.03361	35.9
82.54391	11.7
83.01287	41.6
85.02838	17.8
87.00793	16.0
89.02352	25.6
93.03355	71.8
95.01277	43.5
96.95919	17.0
97.02860	43.1
98.19751	24.1
99.00785	36.0
101.02370	41.3
107.01317	41.9
108.02097	19.9
109.02867	57.4
111.00787	43.6
113.02386	25.6
117.03387	22.8
119.04956	31.1
121.02848	53.7
123.00796	45.4
123.04434	37.3
125.02390	92.3
127.00323	28.9
133.02963	26.3
135.00923	15.6
135.04446	23.7
137.02350	73.4
139.00301	29.3
139.03900	22.1
141.01859	45.9
145.02820	13.5
146.65651	12.4
149.02380	41.6
149.05948	15.1
151.00273	35.8
151.03955	42.1
153.01851	74.3
161.02321	24.5
163.00362	19.9
163.03941	19.6
165.01845	40.0
165.05457	13.7
167.03456	55.3
169.01363	38.5
172.05034	12.7
173.06033	12.5
177.01904	54.3
178.99850	35.9
179.03453	37.8
181.01347	33.3
181.30862	12.0
189.01917	33.0
190.02586	13.3
191.03484	39.0
193.01419	34.6
193.05074	19.5
195.02930	37.1
197.00906	14.5
201.01917	11.8
205.01483	25.0
205.05177	16.3
207.02911	30.3
209.00935	20.9
209.04477	26.6
217.01474	13.7
218.02388	18.3
218.08977	11.8
219.03026	39.3
221.01010	16.1
223.02470	42.9
235.02484	45.4
249.04208	13.1
265.03384	20.4
271.04639	42.3
273.06268	18.8
278.22275	16.1
311.04312	15.5
341.05737	13.4
346.48407	14.2
449.09589	82.1
450.09982	17.7
484.01898	14.0
499.76501	13.2
519.11530	13.3
521.09204	13.3
543.28461	15.1
601.11670	14.3
612.13525	13.8
645.14026	47.9
645.24463	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00663	0.3
56.88651	0.3
57.03330	0.8
59.01265	7.4
61.98716	3.9
64.06202	0.4
65.03828	0.9
67.01762	0.5
67.12585	0.4
69.03304	0.7
71.01267	2.9
71.56332	0.4
72.99203	0.6
73.02834	1.2
78.95802	0.9
83.01276	0.6
83.04915	0.6
85.02863	1.2
87.00766	0.6
89.02348	0.7
91.05437	2.4
93.03358	1.1
95.01279	0.5
95.04921	2.8
96.95900	2.5
97.02844	0.5
99.00764	0.6
101.02350	1.6
103.03909	1.7
107.04942	0.4
108.02078	1.4
109.02864	18.7
113.02355	1.3
119.04935	0.7
121.02888	4.0
123.04470	0.5
124.01591	1.1
125.02383	1.8
133.02840	0.9
133.06532	0.5
134.03613	0.5
135.04448	27.4
136.04791	1.3
136.48732	0.4
137.02380	0.7
137.05988	1.5
138.06345	0.5
139.03947	20.0
147.04453	4.4
148.01572	0.4
149.02379	1.1
149.06000	1.2
151.00270	0.5
151.03822	0.4
152.99515	0.4
159.04414	0.7
161.02432	0.7
161.04623	0.4
161.06012	1.2
163.00243	0.4
163.07538	0.6
163.11171	0.5
165.05539	1.4
166.05859	0.4
169.12257	0.4
171.10246	0.7
172.05215	0.6
173.06039	1.3
174.06807	0.8
175.07602	3.4
181.08693	0.5
187.07568	1.2
189.05515	0.4
189.09154	0.6
197.09987	0.6
197.11812	11.1
198.12010	0.5
199.07683	0.8
201.09195	6.1
209.11810	10.3
210.12161	0.9
213.09242	1.6
214.09967	0.6
220.95622	0.4
227.12894	1.7
237.12723	0.4
241.05121	0.4
247.13271	0.7
247.68263	0.4
253.05092	0.4
253.09239	1.3
253.12010	0.4
253.44933	0.4
255.13826	0.6
257.08176	0.5
268.07620	0.4
269.04495	0.7
271.06116	0.4
273.15018	2.7
279.13895	0.9
281.11914	0.9
305.11905	1.2
308.10599	0.5
323.05783	0.5
323.12946	11.6
324.13235	1.4
337.10806	0.5
365.10406	1.0
367.12003	0.8
377.10327	1.2
377.17627	1.1
381.09894	1.3
395.11389	21.0
395.18655	100.0
396.11923	2.7
396.19022	12.2
405.13531	0.5
433.20782	0.7
447.47641	0.4
479.33817	0.8
480.34329	1.4
481.18533	0.6
481.34357	1.4
487.21933	0.5
539.15735	0.8
583.34644	0.6
599.38245	0.6
643.23450	4.9
643.36987	3.2
644.24469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33599	1.4
57.03340	6.9
58.92744	1.2
59.01251	5.1
68.99675	1.4
69.03331	6.6
71.01270	19.9
71.26412	1.7
71.26738	2.4
72.99186	1.5
73.02836	13.8
77.69691	1.6
79.51169	1.6
81.03348	1.9
83.01276	5.4
85.02840	53.7
85.03359	3.0
86.03213	1.4
87.00771	100.0
95.01299	8.0
96.95910	6.1
96.96863	2.2
97.02851	23.8
101.02338	1.7
103.03900	10.2
104.65157	1.5
111.00797	2.6
113.02354	43.4
115.00284	12.6
115.03963	1.6
127.03987	2.0
128.97119	1.6
129.01869	2.0
131.03368	1.9
157.01375	10.9
173.04459	2.9
175.02438	79.3
200.36696	1.5
217.03557	24.8
265.75391	1.8
272.38196	1.7
303.07297	36.3
304.07629	2.5
321.08328	15.4
322.08450	1.4
347.31409	1.8
351.88934	1.7
352.69272	1.7
381.10693	1.7
393.55154	1.5
479.10477	12.3
480.10779	1.8
539.12579	20.6
540.13293	2.2
625.16394	23.1
626.16699	2.5
643.17346	61.0
644.17749	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	643.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.1
56.96172	0.5
57.03334	5.1
57.54228	0.4
59.01258	6.4
62.74659	0.5
67.01778	1.0
68.99704	1.4
69.03059	0.5
69.03350	5.1
71.01270	18.3
71.51460	0.6
72.99208	2.1
73.02837	11.4
75.24758	0.4
78.95788	0.5
81.03331	1.6
83.01277	4.1
83.04910	0.8
85.02840	56.3
86.03180	1.2
87.00770	100.0
88.01097	1.5
93.03362	0.5
95.01284	8.7
96.95912	1.5
97.02847	26.1
98.03193	0.9
99.00774	1.5
99.04424	0.8
101.02344	1.5
103.03912	11.0
109.02875	2.7
111.00762	2.3
113.02354	44.9
114.02645	0.7
115.00285	12.1
115.03921	2.6
118.44379	0.5
122.72665	0.5
125.02335	1.0
127.03940	1.5
129.01845	2.6
131.03430	1.1
139.00294	3.1
145.04970	0.8
157.01369	10.9
173.04491	4.2
175.02432	68.6
176.02777	2.1
191.05530	1.1
217.03525	24.6
218.03857	1.3
235.04558	0.9
281.19284	0.5
303.07275	31.1
304.07587	2.1
321.08310	13.5
322.08710	1.2
381.10388	1.2
479.04028	0.9
479.10516	12.7
480.10733	1.4
495.13947	0.6
497.11646	2.1
511.96310	0.5
539.12598	19.6
540.13269	2.9
625.16272	16.6
626.16583	2.1
643.17401	56.7
644.17712	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	643.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.4
59.01266	4.9
61.98720	1.1
65.03859	1.2
65.28156	0.2
67.01755	0.4
69.90265	0.8
69.90681	0.5
71.01267	1.4
73.02822	0.6
75.00732	0.4
82.95292	0.7
83.01263	0.4
85.02827	0.8
87.00792	0.3
89.02363	0.5
91.05431	2.6
93.03356	1.0
95.01282	0.3
96.95914	4.7
97.02845	0.5
98.20463	0.4
101.02335	0.7
106.49986	0.2
107.04913	0.4
108.02073	1.1
109.02865	17.8
110.03194	0.3
113.02353	0.6
119.04965	0.5
121.02871	4.9
123.04424	0.4
125.02349	1.1
133.02917	0.6
135.04449	28.5
136.04756	1.3
137.06033	0.7
139.03926	0.4
145.02931	0.3
145.06512	0.3
147.04469	4.3
148.05200	0.3
149.06010	1.0
151.00381	0.3
152.01109	0.4
153.01846	0.4
159.04448	0.6
160.05132	0.3
161.02419	0.3
161.06013	1.2
163.07530	0.6
165.01970	0.4
165.05544	0.7
165.09187	0.3
173.06064	1.4
174.06827	0.4
175.03986	0.3
175.07613	3.0
176.08119	0.2
177.05644	0.3
185.06044	0.6
187.07594	1.0
189.05640	0.3
189.09143	0.5
191.07210	0.3
197.11824	0.6
199.07645	0.7
201.09175	5.0
202.09587	0.3
203.07156	0.3
209.11864	0.6
213.09174	1.4
214.09904	0.7
227.13060	0.3
239.10896	0.3
247.13405	1.3
253.05037	0.5
253.12259	0.4
254.05956	0.5
255.10355	0.3
255.13966	0.9
256.07574	0.3
263.10834	0.3
269.04544	0.4
273.15030	2.9
274.15338	0.3
276.46344	0.2
279.13934	0.7
281.08386	0.3
281.11801	1.0
295.13553	0.6
305.11975	1.8
305.15131	0.4
306.12381	0.4
308.10599	0.3
323.12967	13.3
324.13397	1.2
353.10236	0.3
365.10284	0.3
367.12048	0.3
377.17618	1.2
395.18704	100.0
396.19043	13.0
479.17566	0.3
480.18076	0.5
480.34302	0.6
481.18549	0.9
481.34827	0.5
526.76587	0.2
539.23151	2.2
540.23315	0.4
557.24017	1.5
583.35248	1.3
599.25067	1.7
642.85059	0.3
643.23755	3.4
643.36780	2.7
644.24847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88542	0.3
55.01767	0.8
55.40685	0.4
57.03334	1.0
59.01261	8.5
61.98725	2.1
68.99706	0.4
69.03346	0.9
69.72578	2.2
71.01276	6.0
72.75352	0.3
72.99198	1.7
73.02846	1.9
75.00761	0.7
81.03313	0.5
83.01283	1.1
83.04917	0.4
85.02845	5.1
87.00762	1.4
89.02353	1.7
93.03358	47.0
94.03697	1.5
95.01284	2.1
96.95908	0.8
97.02849	1.0
99.00780	1.3
99.04407	0.6
99.80604	0.4
101.02353	3.2
107.04932	0.4
108.02077	54.1
109.02902	9.1
110.03190	0.5
111.00723	0.4
113.02350	3.1
119.03439	0.5
119.04961	1.6
121.02849	2.8
122.03626	0.7
123.00777	1.2
123.04434	0.8
125.02341	1.5
127.64906	0.3
133.02914	0.6
134.03638	0.6
135.04485	2.0
136.05229	4.4
137.02359	0.8
137.06015	11.6
138.06354	3.4
143.03456	0.4
143.04929	1.0
147.04416	0.9
149.02380	4.9
149.05956	2.4
150.06720	0.5
151.00357	0.4
151.04028	0.9
152.01089	100.0
153.01779	4.3
161.02362	0.7
161.04453	0.7
163.03946	4.3
164.04720	4.1
164.08214	0.4
165.01820	0.6
165.05531	12.9
165.09184	2.7
166.05853	4.7
169.06541	4.9
170.06932	0.4
171.04474	0.6
173.06087	0.5
173.11752	0.4
175.00323	0.7
175.04048	0.6
177.01935	1.9
179.03429	1.2
179.05489	0.3
179.07059	0.9
190.02632	0.7
191.03572	0.4
193.04947	0.5
200.57098	0.4
205.05011	1.0
207.02965	0.8
212.38591	0.4
213.05563	13.5
214.05899	0.7
223.06104	8.4
233.12914	1.3
234.13295	0.5
269.04633	0.6
287.14029	0.6
288.14227	0.5
293.04678	0.9
297.06384	0.9
313.12079	0.8
314.12363	0.9
315.07336	1.2
323.05933	0.4
365.10406	0.6
411.09698	0.5
413.08481	0.5
420.05490	0.4
421.05536	0.8
422.05008	1.4
425.12244	0.5
429.10452	41.0
430.10971	3.7
439.13876	1.1
462.32974	0.6
464.31696	0.4
465.31888	0.7
467.87289	0.4
474.15634	0.4
479.33829	3.2
480.34354	14.1
481.15933	0.4
481.35657	11.1
599.36047	0.6
642.39911	5.5
642.83124	1.2
643.16693	65.0
643.38391	5.6
644.17096	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	643.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28901	2.6
50.58620	2.6
57.03325	2.6
57.60893	2.6
58.12924	2.5
59.01251	7.5
61.98694	3.3
68.37452	3.0
68.99704	5.1
69.03311	3.9
71.01262	10.5
71.53452	3.5
73.09292	2.9
75.00755	3.5
81.03343	7.7
81.62229	3.2
83.01281	10.3
89.02335	5.0
93.03349	12.9
95.01286	7.2
95.04938	5.5
97.02852	9.2
99.04461	3.7
101.02351	4.4
107.01288	5.9
107.04911	6.1
108.02065	3.4
109.02872	13.5
111.00751	4.6
111.04397	5.8
113.02325	3.8
117.03348	5.2
119.04932	11.3
121.02842	9.7
123.04448	17.1
125.02370	24.0
133.02866	6.9
135.04446	7.0
137.02376	19.1
137.05994	5.3
139.03935	8.4
147.04459	6.1
149.02356	12.3
150.03157	5.9
151.00327	3.8
151.03932	15.2
153.01852	15.6
161.02319	3.8
163.00323	5.4
163.03954	15.2
165.01886	15.8
165.05515	4.0
166.02585	3.7
167.03455	26.5
175.02505	3.5
175.03911	6.5
176.01068	3.1
177.01910	18.6
179.03432	22.1
180.04213	11.2
181.01370	5.5
181.04955	4.1
183.02968	4.5
189.01848	5.4
190.99744	3.6
191.03452	20.4
193.01384	10.8
193.04869	4.9
195.03008	16.0
197.04460	5.0
202.99739	3.6
203.03415	5.8
204.00627	3.2
205.01355	12.7
205.05020	5.1
206.02150	3.3
207.03047	23.3
209.04556	59.6
217.01392	3.6
219.03029	28.0
221.00827	10.5
221.04556	6.3
223.02521	15.8
225.03983	7.8
230.08128	5.5
231.03061	3.7
233.00829	4.6
233.04498	5.7
235.02519	28.5
236.02960	4.1
237.04021	10.2
239.05594	23.8
247.02444	9.5
249.04010	16.5
251.01860	5.6
251.05588	3.3
253.03426	6.5
255.06848	4.4
261.04147	6.6
263.01932	9.6
263.04617	3.0
265.03430	22.6
267.04877	4.0
269.06699	4.2
271.06259	4.0
277.03528	6.4
279.05106	8.3
281.04050	3.4
283.06305	5.5
285.03943	4.1
293.03052	4.2
295.06192	3.7
297.04276	3.8
297.07703	14.5
298.04800	4.1
299.05341	5.0
301.06931	4.2
303.07288	7.9
307.04611	5.8
311.05594	10.5
313.07132	10.5
315.04977	8.0
323.05643	5.0
325.07065	5.2
327.05136	5.2
329.08783	12.0
337.06894	3.5
339.04657	5.4
341.06876	15.0
343.06909	5.6
353.06781	27.9
354.06793	3.5
355.06888	6.5
357.06091	5.6
367.05646	5.0
369.06296	16.7
371.07401	10.5
373.05576	3.1
383.07675	22.2
385.05280	22.6
386.08276	4.4
387.06940	5.2
397.05890	4.9
399.07233	8.4
403.06720	6.8
415.06848	14.0
417.08401	5.6
427.07202	3.4
431.60309	3.1
433.07806	6.1
443.09882	5.0
445.07736	5.2
449.13394	16.6
459.09720	6.9
461.10913	12.8
462.11401	3.2
463.09616	4.6
465.11163	2.8
471.09244	3.1
473.10767	12.3
475.11023	3.9
477.10663	7.2
478.10724	3.9
481.11780	3.9
487.11032	43.8
488.10959	6.9
489.10507	10.7
493.09827	19.7
503.11191	6.3
504.11337	3.2
505.10114	58.3
506.11227	31.9
507.11603	4.1
517.10089	3.9
523.11115	17.4
535.11072	9.1
569.15533	6.0
582.15936	6.1
593.06476	4.7
593.15375	82.7
594.15411	10.8
597.14758	4.8
608.13733	6.6
609.14825	35.2
610.14972	7.4
625.14063	18.3
626.15076	26.8
627.15302	4.9
643.15137	100.0
644.15717	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	641.3925
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
59.01266	6.5
61.02461	0.3
61.98717	21.1
63.27750	0.3
69.35310	3.0
71.01273	2.5
71.04987	0.3
73.02837	0.9
83.01276	0.8
85.02872	1.4
89.02342	0.8
99.00770	0.6
101.02351	1.6
105.40077	0.3
109.02863	1.0
113.02352	1.3
119.04956	0.7
121.02883	0.4
122.03679	0.3
123.04415	1.0
125.02372	0.4
135.04434	1.4
136.05247	1.0
137.06015	50.1
138.06337	1.7
149.06027	1.1
150.06873	0.4
151.00252	0.4
151.03932	0.8
151.99411	0.3
152.04700	0.9
159.04393	0.3
161.02515	0.4
163.03957	0.4
163.07669	0.4
164.04738	0.4
165.05525	59.3
166.05864	2.6
173.06036	0.7
178.06374	0.3
187.07568	0.7
189.05463	0.3
191.07175	1.4
194.05827	0.5
198.08241	0.4
209.06079	0.3
209.08176	1.1
211.13361	1.7
213.05446	0.4
269.04623	4.8
270.05017	1.1
271.06354	0.3
275.12997	0.9
275.16495	0.3
285.12283	0.3
291.07864	0.4
305.15469	0.3
348.09909	0.4
368.24380	0.4
371.17355	0.4
397.76617	0.3
419.15088	1.9
437.16156	4.0
438.16571	1.1
451.34384	0.4
461.32809	1.7
464.31259	2.9
465.31778	0.4
477.31921	0.4
479.18466	3.7
479.33875	100.0
480.17551	1.0
480.34229	15.0
505.34427	0.5
565.24524	0.6
577.20081	0.4
581.35968	0.3
609.22974	1.0
641.22797	4.1
641.39221	11.4
642.22888	1.3
642.40259	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	642.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13343	0.1
54.71732	0.1
59.01263	0.3
61.98717	100.0
62.24966	0.1
62.98416	0.2
69.28696	0.1
69.29312	1.0
69.29594	0.1
81.55433	0.1
86.92386	0.1
98.20520	0.2
99.52366	0.1
119.04950	0.2
150.41074	0.1
151.00343	0.2
175.82668	0.1
209.08253	0.2
271.06198	0.2
382.68552	0.1
552.02240	0.1
579.16888	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	37.1
60.01623	0.4
61.58725	0.2
61.98717	100.0
62.98417	0.3
63.99146	0.7
67.19023	0.2
69.59710	0.6
69.60118	1.1
70.81761	0.2
71.01274	0.8
98.20570	0.2
125.02346	0.5
151.00291	0.8
151.03915	0.3
161.02364	3.2
161.04474	0.4
176.04749	3.7
178.70355	0.2
178.99915	0.3
179.03458	4.7
191.07088	1.9
194.05824	10.8
195.06172	0.4
209.08185	52.1
210.08522	3.2
268.03766	0.6
269.04526	3.1
270.04938	3.3
274.62973	0.3
277.35535	0.2
419.17221	7.4
420.17654	1.0
547.24609	0.3
578.16107	5.0
579.16742	1.5
634.02100	0.3
641.34436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01263	2.0
61.98717	0.9
69.03336	0.3
70.58285	0.5
71.01266	1.5
73.02811	0.4
78.55166	0.1
78.95798	0.3
83.01277	0.3
83.04922	0.1
85.02837	0.3
87.00774	0.3
89.02335	0.8
95.01292	0.2
96.95901	0.7
99.00807	0.2
99.04420	0.4
101.02359	1.3
111.54018	0.1
113.02339	0.9
119.03448	0.3
125.02351	0.6
135.04416	0.2
143.03336	0.1
161.04515	0.7
163.11150	0.1
165.12778	0.2
167.10675	0.2
167.14340	0.5
179.05573	0.3
181.12204	0.2
183.13873	6.6
184.14261	0.3
193.12285	1.6
203.71442	0.1
207.10318	0.1
211.13385	100.0
212.13721	6.4
235.08229	1.4
253.09332	3.5
253.14714	0.2
254.09711	0.2
285.04062	0.2
335.09360	1.1
369.24515	0.2
387.25275	0.7
403.47061	0.1
405.26700	0.3
406.27155	0.2
419.15323	0.2
429.21341	0.9
437.15591	0.6
447.22482	6.1
448.22876	0.7
479.34030	0.2
479.68732	0.2
581.19775	0.2
623.34406	1.4
624.34827	0.3
641.22180	0.4
641.37231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	84.3
60.01604	0.8
61.98718	100.0
69.20657	2.2
71.01276	0.8
72.49889	0.3
73.02836	0.3
75.00793	0.3
85.02852	0.5
89.02357	0.3
98.07687	0.2
98.19704	0.3
101.02327	0.4
105.03370	0.4
107.04800	0.3
107.14911	0.2
113.02359	0.6
115.82635	0.3
116.92759	0.9
119.04942	0.5
119.90627	0.2
125.02371	0.4
132.02675	0.3
137.02415	0.3
151.00262	0.6
151.04002	0.9
161.02386	9.8
161.04410	0.4
162.02750	0.5
167.27876	0.2
171.17929	0.2
176.04749	12.2
177.05109	0.5
179.03458	14.7
191.07115	6.1
194.05824	17.3
195.06259	0.7
209.08185	93.7
210.08524	4.2
223.06128	0.3
270.05133	0.3
393.12778	0.3
419.17209	21.9
420.17523	2.9
468.09525	0.3
579.17365	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	641.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09023	0.3
57.03322	0.4
59.01262	1.7
61.98726	1.6
67.38368	0.3
70.99718	0.7
71.01284	0.4
83.04895	0.3
83.19811	0.3
85.98040	0.3
93.03357	0.4
101.02335	0.7
109.02870	1.0
121.02850	1.1
121.10159	0.9
125.02401	0.4
127.83569	0.3
133.02879	2.1
133.94118	0.3
135.04445	1.5
141.09137	0.4
141.19516	0.3
147.04504	0.4
148.01558	1.4
149.02380	1.8
173.02498	0.5
177.01923	0.5
183.13812	2.2
187.09767	1.4
189.01942	1.3
193.12346	0.5
201.01904	1.3
203.03520	0.7
211.13383	32.6
212.13744	1.4
213.01904	3.7
213.05467	0.4
214.02682	0.7
215.03496	2.8
221.06139	0.4
223.07608	0.7
223.18329	0.3
224.04773	0.8
225.05533	0.4
227.03528	0.3
227.07227	0.7
228.08017	0.4
233.08179	0.3
235.08142	0.4
237.05585	0.5
239.07065	1.7
240.04225	0.4
241.05016	0.9
249.05812	0.3
250.06247	0.5
251.07222	0.6
253.05173	0.6
253.09343	1.3
254.05821	0.3
255.06567	0.9
256.07489	1.9
257.08197	1.0
264.04337	0.3
265.05151	0.8
266.05994	0.3
267.06720	2.3
268.03870	0.6
268.06790	0.4
269.04477	0.6
277.05038	0.3
278.05667	0.3
279.06668	1.0
280.03772	0.4
280.07071	0.4
281.04578	1.2
283.06195	1.3
284.06592	0.4
291.06683	0.4
291.19733	2.7
293.04739	0.4
294.05408	0.5
295.06100	1.2
296.03308	1.0
297.04041	0.9
298.04868	1.1
305.08209	0.5
307.09799	0.4
308.03494	0.4
309.04074	0.9
309.11493	0.7
309.17816	0.2
309.20746	9.7
310.04840	1.3
311.05673	10.7
311.09283	0.6
312.06281	1.7
321.11429	1.2
322.04819	1.1
323.05655	42.3
324.06055	3.9
335.09216	0.4
337.10962	1.0
338.11484	0.5
339.12448	1.0
344.05310	1.6
351.08707	1.6
352.09186	0.4
364.09399	0.6
365.10336	7.7
366.11124	21.4
367.11884	17.3
367.18768	0.4
368.12219	1.6
375.08902	0.9
379.11536	0.3
381.09799	1.1
387.25296	0.6
393.09793	1.4
398.10120	2.4
399.10513	0.5
409.16061	0.4
418.14130	1.1
419.15070	8.0
420.15372	0.6
436.15314	7.0
437.16113	100.0
438.16464	13.0
447.22366	2.1
571.18060	0.6
581.20313	0.4
623.35333	0.8
641.22479	56.8
641.38318	5.3
642.22742	9.4
642.39508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51474	0.3
57.03336	27.6
57.91087	0.3
58.41688	0.3
59.01260	3.4
61.98716	3.3
70.02160	1.7
71.01266	1.2
72.49751	0.4
81.03339	0.9
83.01312	0.3
89.02348	0.6
93.03360	1.0
94.03728	0.4
99.04417	21.3
100.04720	0.6
101.02339	6.6
108.02068	0.6
109.02860	0.6
113.02377	0.4
114.74748	0.4
117.03390	1.3
119.04943	0.9
120.61411	0.3
121.02813	0.7
123.04433	0.6
124.01568	0.4
124.45036	0.3
125.02362	17.0
126.02706	0.4
128.70340	0.3
131.04965	0.4
132.02034	0.3
133.02869	0.5
135.00819	2.7
135.04413	0.8
137.02467	0.4
137.06029	0.3
143.03441	0.8
149.06041	0.4
150.06734	0.5
154.62927	0.4
157.06581	0.4
163.00325	0.7
163.07607	0.5
167.34464	0.3
173.06004	0.6
177.05421	0.4
179.10677	0.4
199.04004	1.0
201.01930	0.9
201.05582	0.5
211.13370	6.4
213.05548	1.8
214.06190	1.0
224.04738	0.6
225.05531	0.8
227.03484	3.3
241.05099	3.7
242.05867	3.5
243.06131	0.5
275.07043	0.5
278.06296	0.5
279.10257	0.8
280.03806	1.3
291.10205	1.1
292.03934	0.6
305.04596	0.6
305.30988	0.4
306.05060	0.3
307.09686	0.5
317.08130	1.3
319.06174	1.3
320.07007	0.5
334.08630	1.2
335.09305	100.0
336.09653	10.5
345.15195	0.4
364.09109	0.4
365.10312	0.7
366.10516	0.4
435.14526	0.7
436.14893	1.1
437.15982	10.1
438.16205	1.0
447.13528	0.5
467.17041	0.5
479.13364	2.3
479.37439	1.5
480.66125	0.4
497.14859	1.4
498.14664	0.5
581.19745	1.2
595.72430	0.4
621.26886	0.4
641.20996	1.9
642.18134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63190	0.1
57.03342	0.1
59.01260	0.9
61.98717	100.0
62.98421	0.2
63.02280	0.1
65.00224	0.1
69.26283	0.7
71.01277	0.3
72.99220	0.1
83.01289	0.1
85.02850	0.1
89.02312	0.1
101.02351	0.2
107.01325	0.2
113.02334	0.2
117.03390	0.3
123.00829	0.1
125.02362	0.9
126.02723	0.1
139.00227	0.1
142.10156	0.1
151.00339	0.3
153.72101	0.1
159.04431	0.2
161.02432	0.2
169.01273	0.1
176.04741	0.1
179.03436	0.2
183.04512	0.1
194.05911	0.2
209.08150	0.8
225.05562	0.1
239.03458	0.1
240.04228	0.2
243.43222	0.1
244.82440	0.1
267.03030	0.1
268.03818	3.2
269.04602	16.0
270.04941	1.3
311.05667	0.1
413.08746	0.1
419.17200	0.1
450.11346	0.2
577.15753	10.7
578.16156	1.9
639.79816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33744	0.1
51.39909	0.1
52.44384	0.1
56.52284	0.1
57.03332	0.4
59.01257	2.1
61.98715	100.0
62.98420	0.1
66.39941	0.1
67.91607	0.1
69.27438	1.5
71.01266	1.4
72.99216	0.3
73.02843	0.3
75.00758	0.2
81.03343	0.2
83.01289	0.4
85.02852	0.6
87.00819	0.3
88.98694	0.2
89.02345	0.5
93.03385	0.3
96.95914	0.4
99.00793	0.2
101.02335	0.7
108.02087	0.4
109.02885	0.3
113.02393	0.4
116.92806	0.2
117.03372	0.2
119.03391	0.2
119.04999	0.3
121.02889	0.4
123.04452	0.2
125.02347	0.8
126.02760	0.1
132.02167	0.1
134.03673	2.0
135.04472	0.4
137.02362	0.4
149.02409	0.3
149.06015	0.4
150.03194	0.2
151.00345	0.3
151.03960	0.2
152.01096	0.3
153.01826	0.2
156.38712	0.1
160.01654	0.3
161.02324	0.4
161.04543	0.2
163.03963	0.2
165.05507	0.2
167.03503	0.2
175.03963	0.5
176.01144	0.2
177.01953	0.3
177.05522	0.1
179.03407	0.3
193.05031	2.4
194.05525	0.2
223.06268	0.1
253.05154	0.2
269.04703	0.4
271.06204	0.3
285.04236	0.2
333.41019	0.1
337.09354	0.2
351.08875	0.2
473.21591	0.1
577.19556	0.4
609.80981	0.4
640.20813	0.3
640.31287	0.2
641.17249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57763	0.3
55.31232	0.3
58.00470	0.8
59.01264	10.8
61.98716	58.0
64.47475	0.3
65.74918	0.3
71.01270	3.9
72.99194	1.4
73.02837	1.5
73.38496	0.3
75.00755	0.5
77.95847	0.3
78.81396	0.3
78.95801	0.4
81.03312	0.3
83.01254	0.4
83.78345	0.4
85.02836	2.4
87.00773	1.0
89.02347	1.7
93.03352	0.8
96.95918	0.5
101.02328	1.8
103.03927	0.5
105.03363	0.4
109.02890	0.4
113.02351	0.6
116.03189	0.3
117.03365	7.5
117.68390	0.3
118.03744	0.5
119.03439	0.4
121.02859	0.8
123.04417	0.3
125.02362	1.1
131.01326	1.1
135.04494	0.7
137.02386	0.7
147.04424	0.4
149.02428	0.8
151.00299	0.4
153.01859	0.3
155.71284	0.3
159.04404	0.6
161.02368	1.3
163.00316	0.7
163.03972	1.0
165.01874	0.6
173.02380	4.7
175.00343	7.3
175.03867	0.5
176.00749	0.5
177.01952	0.4
178.99791	0.5
179.03378	0.3
187.03960	0.3
193.01324	0.9
195.04552	0.4
197.11784	0.7
198.12115	0.3
205.01407	0.5
205.08629	0.3
221.05989	0.4
225.05696	0.4
249.05717	0.7
265.05148	0.7
268.03558	0.4
269.04617	3.2
281.04599	2.9
282.05362	4.8
283.06128	7.1
293.04626	100.0
294.04956	9.2
294.07434	0.2
295.06140	1.7
297.04141	0.5
307.06244	0.5
309.04019	0.8
310.05069	0.4
311.05667	10.4
312.05975	1.3
314.04379	1.5
323.05682	2.9
335.05563	1.0
336.05902	0.4
341.06699	2.9
353.06830	0.9
389.16138	0.9
413.08853	25.3
414.09207	2.8
434.11649	0.7
457.11459	2.6
469.21909	0.6
577.15723	88.3
578.16040	13.7
639.32697	0.7
640.15771	1.2
640.25317	0.9
640.34064	0.6
641.13446	0.4
641.26654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33635	0.1
55.84117	0.1
57.03332	0.1
58.67846	0.1
59.01263	0.8
61.98706	0.3
65.03863	0.1
71.01276	0.2
75.00729	0.1
79.05441	0.2
83.01252	0.1
87.00777	0.9
88.01109	0.1
93.03367	0.3
96.95923	0.1
98.82063	0.1
99.95374	0.1
107.04943	0.4
108.02083	0.3
109.02856	0.7
111.84389	0.1
121.02881	1.0
123.00806	0.2
123.04405	0.3
124.04748	0.1
125.02340	0.2
130.99782	0.3
131.03423	0.1
133.02892	0.4
135.04431	0.6
139.03928	0.2
143.08646	0.2
145.02890	0.2
146.03661	0.1
147.00778	0.2
147.04417	0.2
148.01602	1.8
149.02382	1.2
149.06056	0.1
150.03032	0.1
151.00366	0.1
151.03912	0.3
152.22835	0.1
157.06520	0.2
159.08112	0.1
161.02365	0.2
163.03970	0.1
163.07642	0.1
169.06470	0.1
171.08104	0.4
172.05231	0.1
173.02365	0.1
173.06062	0.2
175.03915	0.2
176.01147	0.1
177.01860	0.3
177.05495	0.2
183.08147	0.2
185.06062	0.4
187.04050	0.1
187.07616	0.4
189.01910	0.1
195.04460	0.1
197.06071	0.2
199.03954	0.1
199.07617	0.1
201.01981	0.1
201.05582	0.2
202.06314	0.1
203.03522	0.1
209.04410	0.1
209.06143	0.1
211.03932	0.2
211.07622	0.3
212.04779	0.1
213.05588	0.4
214.06105	0.1
215.03508	0.7
215.07205	0.4
216.04045	0.1
221.09721	0.1
224.04811	0.1
225.05475	0.2
226.06157	0.1
227.03654	0.2
227.07059	0.5
229.05087	1.1
230.05690	0.1
231.06580	0.2
237.05536	0.4
238.06343	0.2
239.07091	0.6
239.10783	0.1
241.05092	1.3
242.05644	0.1
249.09174	0.2
250.09973	0.1
251.06946	0.1
253.05118	0.1
254.04230	0.1
254.06192	0.1
255.06711	4.7
256.07385	2.2
257.04666	0.2
257.08090	0.6
257.11826	0.4
261.05743	0.1
261.09201	0.2
263.07263	0.1
263.10779	0.2
265.05063	0.2
265.08704	0.2
265.12210	0.1
266.05841	0.1
267.03094	0.2
267.06436	0.2
275.10791	0.2
276.07843	0.2
277.05255	0.2
277.08755	0.4
279.06729	0.3
279.10107	0.1
281.04810	0.2
281.08377	0.2
283.09772	0.2
291.07010	0.2
291.10306	0.6
293.04684	0.2
293.08228	0.3
293.11707	0.2
295.09604	0.1
303.06549	0.2
303.09976	0.2
304.07388	0.2
305.08252	0.4
306.09009	0.2
307.06558	0.2
307.09821	0.4
308.10406	0.2
309.04080	0.2
309.08057	0.1
309.11237	0.5
310.04727	0.1
317.08200	0.2
318.08685	0.1
319.09802	1.3
320.07114	0.1
320.10513	0.3
321.04312	0.1
321.07767	0.6
321.11398	0.3
322.04782	0.2
322.08505	0.2
323.05606	1.1
324.06265	0.1
333.07819	0.2
334.04977	0.1
334.08713	0.1
335.05630	0.4
335.09369	0.9
336.09927	0.5
337.10867	1.9
338.11191	0.1
345.07697	0.2
346.08539	0.4
347.09329	2.0
348.09827	0.2
349.07211	1.4
349.10736	0.1
350.07953	0.9
351.08640	0.1
363.04190	0.2
363.08817	4.9
364.09552	8.6
365.10324	10.9
366.10696	1.0
367.15540	0.1
389.14105	0.2
396.08527	1.7
397.08820	0.2
407.15060	0.9
417.13501	1.1
418.13910	0.2
433.12964	0.2
434.14069	0.1
435.14554	100.0
436.14908	12.9
511.65649	0.1
579.18982	0.3
638.79541	0.3
639.21155	1.6
639.37274	0.2
640.21295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37888	0.4
54.79334	0.4
58.50429	0.4
59.01263	2.4
61.98712	0.7
70.08459	0.3
70.38593	0.8
70.38926	0.4
70.39151	0.4
71.01276	1.0
74.96007	0.4
76.74337	0.3
83.37408	0.4
96.95882	0.6
101.02341	0.5
118.44696	0.4
121.02763	0.6
133.02876	1.2
139.65991	0.4
148.01514	0.5
149.02400	0.4
152.32349	0.4
161.02406	0.5
165.05550	0.5
165.23843	0.4
170.92809	0.4
179.35225	0.5
199.07761	0.4
201.01842	0.5
211.13400	0.7
229.05122	0.4
233.15544	1.0
239.10768	0.5
243.06461	0.4
253.05118	0.8
257.12024	0.4
267.06726	1.6
268.07431	0.6
269.08160	0.5
297.04190	0.7
309.04092	1.3
311.05792	0.7
323.05634	3.6
324.05853	0.5
335.05594	0.8
337.07001	0.5
349.10767	0.5
363.08832	1.3
365.10382	0.6
377.10382	7.4
378.11124	1.9
391.11639	0.6
403.25372	0.4
407.15088	5.0
408.15067	0.5
409.13080	0.5
417.13638	2.7
418.13882	0.5
419.11191	0.7
420.12357	0.7
433.12686	0.6
434.13635	0.6
435.14545	100.0
436.14914	14.1
477.32260	1.1
621.33057	1.4
639.20898	7.6
639.37433	1.4
640.21191	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	639.1587
Annotation	PHA-665752
Peak:m/z	Relative Intensity
53.94214	0.4
56.14564	0.5
57.03329	1.6
59.01263	9.6
61.98719	7.2
69.03339	1.0
71.52055	0.6
72.99194	1.8
73.02850	1.9
75.00778	1.2
81.03357	0.7
83.01285	1.2
85.02856	2.1
87.00783	1.9
88.98721	0.5
89.02341	2.7
93.03350	1.3
95.01299	3.5
96.71056	0.4
96.95919	1.2
97.02865	1.6
98.02319	0.5
99.00776	1.3
100.84273	0.5
101.02360	2.9
107.01324	0.7
108.02081	1.1
109.02885	1.1
111.00834	0.7
113.02342	2.9
117.03408	1.1
119.03470	0.6
119.04934	1.1
121.02884	2.5
123.00800	13.8
123.04414	1.5
124.01587	35.9
125.02371	28.4
126.02697	0.7
133.02847	1.0
134.03665	13.5
135.04460	1.3
137.02385	2.9
138.03137	1.4
139.04001	0.8
147.04433	0.7
149.02376	1.9
149.06018	1.5
149.99524	50.3
150.03049	1.2
151.00320	3.9
151.03935	1.6
152.01054	1.6
153.01811	1.0
153.05495	1.1
159.02908	0.6
159.04489	0.7
160.01617	1.5
161.02341	3.1
161.04520	0.6
163.03947	2.0
163.06052	0.5
164.04684	2.3
165.01901	5.1
165.05522	1.4
166.02695	2.1
166.99667	0.5
167.03419	1.6
168.00592	100.0
169.01299	8.7
175.02602	0.9
175.03964	2.1
177.01863	1.8
177.05472	0.6
178.02643	1.7
179.03424	3.3
179.07050	2.6
180.04297	2.9
181.05020	1.6
183.04515	0.5
191.03479	1.0
192.04276	1.3
193.01439	0.6
193.05009	6.4
194.05640	1.1
195.06612	4.4
205.01350	0.6
205.05055	1.0
206.05788	1.2
207.06604	1.1
221.08183	1.8
223.06105	0.6
227.03586	0.5
242.02318	0.5
255.02968	0.7
265.09344	1.0
269.04581	0.9
273.04047	0.6
283.06259	0.6
285.04013	0.5
287.05679	24.6
288.06027	2.2
293.04639	3.4
311.05499	1.1
313.05676	0.8
329.06494	0.6
331.07031	2.6
343.12082	0.6
361.16360	1.0
387.10275	0.6
387.14709	10.1
388.15045	0.9
388.78632	0.6
413.08829	0.8
417.15839	0.6
433.11383	0.5
445.09851	1.0
447.16718	4.9
449.10840	1.7
463.11090	2.8
477.10986	0.9
477.17291	3.0
509.22250	0.7
535.31287	2.1
577.15436	1.5
595.33197	0.9
639.15686	88.3
639.23785	4.3
640.15942	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	637.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14010	0.2
55.01749	0.2
57.03325	0.7
59.01264	6.5
60.01575	0.2
61.98718	1.8
65.00219	0.3
65.06396	0.2
69.03334	0.3
69.36283	1.1
69.36714	0.6
70.65960	0.2
71.01269	2.9
72.76601	0.2
72.99196	3.3
73.02827	0.9
75.00758	0.4
81.03288	0.3
83.01261	0.6
83.04911	0.3
84.60550	0.2
85.02833	1.3
87.00774	0.6
87.04400	0.2
88.98687	0.4
89.02341	0.9
93.03326	0.3
95.01267	0.3
96.95899	0.5
97.02837	0.3
97.79440	0.2
99.00755	0.6
101.02348	1.6
106.70121	0.2
108.02061	1.1
109.02853	0.8
111.00773	0.2
113.02375	1.0
114.31550	0.2
116.92751	0.5
117.03323	0.4
118.64759	0.2
118.75255	0.2
119.04936	0.5
121.02837	0.5
122.80818	0.2
125.02377	1.2
132.02107	0.6
134.03651	0.4
135.00792	0.3
135.04489	0.4
137.02338	0.5
149.02336	0.8
149.06065	0.2
151.00301	0.9
151.03941	0.2
152.01088	2.0
153.01862	0.7
161.02391	0.5
161.04440	0.3
163.03844	0.3
164.04695	0.3
165.01875	0.2
175.03891	0.3
177.01917	0.4
179.03514	0.2
193.05093	0.4
195.04495	0.2
196.05421	0.3
211.03912	0.4
212.04713	0.2
223.04112	0.4
223.06122	0.3
224.04829	0.9
226.02699	0.5
239.03505	1.8
240.04282	0.8
255.06635	0.3
267.03012	3.2
268.03815	39.1
269.04211	3.0
271.06116	0.4
283.06171	100.0
284.06516	8.6
285.04019	0.3
295.06296	0.2
310.97913	0.2
311.05600	2.2
323.05490	0.4
335.05765	0.4
341.06827	0.3
371.28137	0.6
413.08893	0.8
429.10419	0.3
447.11688	0.7
475.30145	0.2
515.32440	1.3
516.32684	0.3
532.32330	0.4
533.33429	1.9
551.02197	0.2
551.34888	0.5
563.17938	0.2
593.35547	8.5
594.35950	0.5
637.17017	0.7
637.21100	0.9
637.37384	0.4
638.17548	0.2
647.50391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11059	0.9
57.03325	3.2
59.01261	16.3
61.42161	0.6
61.96845	0.7
61.98720	6.3
65.00211	13.7
68.99688	1.8
69.03344	0.8
71.01267	13.4
71.47035	1.1
72.99205	3.7
73.02840	4.6
75.00749	2.6
83.01265	6.4
85.02844	4.7
87.00731	2.2
88.98689	2.4
89.02345	4.1
93.03347	3.1
95.00522	0.7
95.01268	4.2
96.95918	4.2
97.02824	0.9
97.06516	1.0
99.00763	1.8
101.02348	7.8
107.01295	16.1
107.04902	1.2
108.02094	4.8
108.99232	0.8
109.02872	8.7
109.99289	1.1
110.00009	13.4
111.00816	4.2
113.02354	5.7
116.92825	1.0
117.03377	1.2
119.03469	1.2
119.04946	17.4
121.02829	3.2
122.72448	0.9
123.00806	4.8
123.04478	1.1
124.01546	2.3
125.02379	10.3
131.03360	1.0
133.02850	2.5
134.03650	2.9
135.04453	56.8
136.01544	1.0
136.04802	1.2
136.98738	4.1
137.02393	4.4
137.99538	3.6
139.00305	10.0
140.01013	1.1
145.02841	1.1
149.02357	2.6
151.00308	61.6
152.01112	7.6
153.01892	9.5
153.05492	1.8
160.09673	1.0
161.02396	5.5
161.04477	0.9
163.00290	1.4
163.03897	1.5
163.06100	0.9
164.01030	0.8
164.98267	4.0
165.01854	2.2
165.99001	10.0
166.99803	18.4
167.03461	1.3
169.01321	2.4
175.00313	2.6
177.01921	5.4
178.99812	1.6
180.00580	6.1
181.01413	4.4
185.05949	1.2
190.02640	1.3
193.01329	3.6
193.05054	1.2
197.02811	1.0
197.04428	3.6
205.05171	1.0
209.08160	1.6
229.04994	1.8
241.05106	1.7
243.06476	1.0
259.05920	1.1
269.04626	12.6
271.06107	1.2
285.04065	2.6
286.04880	15.3
287.05688	17.2
288.05948	1.1
292.46716	0.8
339.07312	1.6
342.47913	0.9
447.11441	1.2
473.11133	1.0
501.12686	17.2
502.12851	1.9
517.12018	8.3
518.12231	1.2
521.33685	4.3
537.32861	1.3
543.13611	0.9
557.86755	1.0
577.28998	1.1
593.31647	1.4
595.16425	1.4
619.16736	1.4
637.17804	100.0
637.33826	6.2
638.18237	17.8
638.28589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82399	0.1
51.73198	0.1
57.03329	0.2
59.01263	1.8
61.98710	0.7
63.02270	0.3
65.00206	0.2
71.01273	1.4
71.51192	0.2
71.51573	0.2
72.99194	0.7
73.02833	0.5
75.00764	0.2
77.93858	0.2
83.01282	0.4
85.02827	0.4
85.16534	0.1
87.00777	0.4
89.02335	1.6
91.01776	0.3
93.03308	0.2
96.95911	0.9
98.02323	0.2
99.00778	0.2
100.01196	0.2
101.02339	0.9
102.33015	0.2
104.85178	0.2
107.01294	0.5
110.89063	0.2
111.04409	0.2
113.02332	0.5
119.04897	0.3
125.02346	0.3
131.03403	0.3
133.02878	1.4
135.04482	0.7
137.02335	0.2
143.03430	0.2
149.04504	0.9
151.00290	0.2
152.01100	0.4
153.01843	0.3
157.02917	0.3
159.04454	0.6
161.02393	0.4
161.04581	0.2
169.06516	0.5
176.01021	0.2
179.03578	0.2
180.05800	0.5
181.06578	0.8
183.04456	0.5
196.05266	0.3
197.06006	0.5
199.04004	0.3
201.05534	0.7
205.05074	0.2
213.05482	0.2
223.04048	0.2
224.04802	0.6
225.05580	0.6
226.12386	0.2
227.08231	0.3
227.12605	0.2
228.08536	0.4
240.04118	0.2
241.05124	0.5
241.09792	0.7
242.10199	0.3
255.11314	0.3
256.11911	0.2
268.03903	0.4
269.04608	100.0
270.04956	8.0
270.13507	0.4
281.31012	0.2
315.13397	0.2
325.07535	0.2
327.08902	0.2
451.54678	0.2
499.12650	0.2
515.12109	0.4
521.20593	0.2
546.26398	0.2
547.14465	0.9
547.26959	0.2
576.25458	0.3
577.26495	0.3
618.26642	0.7
619.26984	1.6
636.26941	0.2
637.28613	0.9
638.18079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86357	1.2
57.03322	2.2
59.01255	3.9
63.02283	2.0
65.00201	11.9
65.03848	6.5
66.03377	2.5
71.01263	6.0
72.99196	1.7
73.59335	1.1
81.03352	12.2
83.01270	10.9
88.98705	2.7
89.02380	1.3
91.05418	2.3
93.03344	3.9
95.01285	3.2
95.04919	1.1
97.02856	5.7
97.23064	1.4
104.97089	1.2
107.01292	19.1
107.04922	5.3
107.90626	1.1
108.02069	2.7
109.02857	66.4
110.00020	2.4
110.03220	1.9
111.04444	1.6
119.04940	6.9
121.02885	10.9
122.02381	1.7
123.04437	31.9
124.04754	1.7
125.02364	30.0
126.02707	1.6
132.04491	4.5
133.02821	1.6
134.06047	3.8
135.00781	2.0
135.04443	19.1
136.01556	1.3
137.02347	3.6
139.00273	1.7
148.03979	15.3
149.02316	1.8
149.06027	1.7
150.05550	68.9
151.00310	83.5
151.03957	1.8
151.05885	4.6
152.00636	1.7
158.06056	19.5
160.03967	3.7
161.02342	3.3
163.00282	3.1
164.01111	2.4
165.01888	5.0
166.02628	2.0
167.03456	100.0
168.03793	1.7
169.01347	1.7
175.00322	2.0
175.04039	2.0
176.07123	4.6
177.01898	74.0
178.02338	3.0
179.03470	57.0
180.03825	3.2
184.03973	3.4
189.01947	1.3
190.01462	3.0
191.03438	3.8
193.01361	2.6
193.05084	1.4
202.04980	2.7
204.02980	1.7
205.01994	1.3
205.03716	7.7
206.04501	4.7
209.04527	4.4
219.06615	2.7
221.04431	2.4
227.03593	2.3
235.02489	1.5
241.05078	1.6
265.05142	1.7
268.03763	2.2
269.04446	3.1
271.05994	2.3
281.04730	2.2
282.05402	6.7
283.06198	10.3
284.06598	1.6
287.05536	4.2
292.06226	3.8
309.06436	2.1
310.07245	18.9
328.08325	4.0
339.07220	1.7
355.10291	1.5
358.13922	2.2
454.11002	1.4
459.11496	18.9
460.11707	2.6
475.14786	27.8
476.14719	2.0
477.12366	1.9
485.12997	18.9
487.14697	13.9
488.14691	1.3
514.15942	9.8
516.14819	1.6
547.14935	1.7
577.15869	2.1
591.17639	6.7
595.16821	6.0
609.18420	2.2
618.18359	51.1
619.18433	9.1
635.31793	1.7
636.19385	92.4
637.19720	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03335	0.9
57.33422	0.4
57.88453	0.4
59.01266	5.5
61.98727	2.1
71.01266	5.4
71.52128	0.7
72.99189	0.8
73.02831	1.6
75.00758	0.8
77.03802	0.5
83.01257	1.7
85.02841	3.1
87.00780	0.7
89.02333	1.4
93.03350	1.4
95.01293	0.5
99.00777	1.3
101.02341	3.0
103.01753	0.5
108.02094	0.6
111.00870	0.5
113.02358	2.3
117.03375	9.9
119.04938	0.7
121.02869	5.3
125.02353	2.2
131.01328	2.4
132.02034	0.5
134.03638	0.8
134.57118	0.4
135.04462	0.5
138.17865	0.4
138.59329	0.4
144.23647	0.5
147.04427	1.2
149.02382	25.3
149.03566	1.2
150.02727	1.2
151.00282	1.0
152.01062	1.9
159.02812	0.5
159.04506	0.4
161.02368	1.6
161.04468	1.1
162.16389	0.4
163.03915	1.7
164.04744	15.0
165.01793	0.5
165.05121	0.8
167.03442	1.5
173.02386	4.3
175.00333	9.6
176.00601	0.6
177.01936	0.9
179.07103	4.0
190.02701	0.5
193.01398	1.1
193.05000	1.0
208.03694	0.8
223.06116	14.7
224.06517	0.7
237.05582	0.6
239.07111	0.6
249.05606	1.2
265.05209	0.5
269.04608	2.1
281.04492	2.2
282.05374	0.9
283.06186	15.0
284.06561	1.2
293.04620	100.0
294.04965	10.6
295.06143	1.4
311.05658	25.1
312.06070	2.8
314.04156	0.7
317.06549	0.8
323.05725	2.4
335.05780	1.3
341.06735	7.7
353.06781	0.7
373.26123	1.0
413.08859	66.8
414.09250	7.4
431.09921	37.2
432.10260	4.0
523.81140	0.5
583.13690	0.5
593.35297	1.2
600.13300	0.5
608.29272	1.3
616.29315	2.1
616.79236	0.8
637.20605	1.0
637.30640	2.3
637.79919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76544	0.5
53.32391	0.5
57.03334	1.3
58.00476	2.8
59.01264	69.6
60.01600	1.3
69.03329	0.6
71.01269	56.3
71.28606	1.1
72.01624	1.1
72.99200	4.2
73.02832	16.2
74.03188	0.7
75.00756	0.6
83.01266	3.2
85.02846	6.8
87.00774	2.4
87.04348	0.5
88.98725	1.0
89.02335	100.0
90.02674	1.9
95.01294	1.8
96.95907	2.5
97.02847	1.1
99.00781	29.1
99.04427	0.8
100.01112	0.7
101.02345	44.9
102.02705	0.7
107.01262	0.5
109.02866	0.8
111.00788	0.9
113.02353	10.2
115.03936	1.0
116.92773	2.6
119.03410	3.3
121.02874	0.7
125.02374	5.0
131.03423	19.2
135.02933	0.5
135.04414	1.0
137.02426	1.2
139.00244	1.0
140.40141	0.5
143.03430	2.8
149.04494	87.7
150.03157	2.4
150.04832	1.8
151.00285	1.1
151.03873	0.6
152.01085	0.9
161.04468	4.8
165.01910	2.7
165.04192	0.7
165.05499	3.2
167.03444	0.9
175.03883	0.7
179.05566	0.8
180.04303	2.7
191.05582	18.1
195.06580	7.6
196.51865	0.5
221.06680	7.7
225.07562	0.5
233.06984	0.5
233.15404	0.7
245.15459	1.0
245.71780	0.5
251.07738	11.6
275.07648	0.9
281.08740	1.2
287.16699	0.6
293.08826	4.0
297.11932	0.7
311.09915	9.1
343.11966	0.6
413.22058	0.9
473.16998	0.8
497.20273	1.9
500.88885	0.5
515.25049	3.9
519.24292	0.6
527.21375	0.8
528.15668	0.5
545.26129	47.0
546.26550	6.2
554.61060	0.7
557.26147	8.1
558.26587	1.0
563.13873	1.2
575.26996	0.5
577.01721	0.6
599.27167	4.4
600.27124	0.7
635.14203	0.8
635.22687	0.7
636.15735	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	635.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.5
59.01264	2.1
59.01504	0.3
61.98712	0.4
63.84032	0.3
64.90762	0.4
66.75181	0.4
68.79485	0.4
69.03335	1.1
69.21834	2.7
69.22241	0.8
71.01255	0.4
71.04903	1.8
77.06917	0.4
83.04906	1.9
85.02832	0.6
85.06477	1.7
85.24287	0.4
87.04412	1.0
91.05438	0.7
95.04955	0.7
97.02844	1.3
97.06502	0.9
105.81726	0.3
108.02041	0.6
109.02865	1.1
109.06507	2.0
109.19539	0.3
111.04412	0.8
111.08073	0.8
121.02852	1.1
123.04473	0.4
125.09567	0.5
128.03178	0.4
129.09175	0.5
133.02861	0.4
134.03720	0.5
135.04459	2.4
137.09676	0.6
147.04388	0.5
147.08083	0.5
148.05266	0.6
151.11105	0.3
161.05995	0.6
165.12819	0.9
167.10660	0.8
171.10219	1.3
177.09213	0.6
177.12997	0.4
179.14406	1.8
181.12279	0.9
189.09241	1.6
195.13887	9.2
196.14265	0.7
203.10783	2.5
205.12303	0.6
221.15494	7.7
222.15773	0.5
223.13452	3.3
223.16972	0.4
227.12901	0.7
233.15404	0.5
235.17003	0.7
239.16583	1.5
247.20679	1.6
251.16490	0.8
273.18665	1.2
281.21191	0.6
291.19733	20.6
292.20102	1.3
303.04718	0.4
309.20782	100.0
310.21109	8.1
322.05228	0.4
325.14499	5.9
374.26819	0.4
489.63962	0.4
515.09009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.6
57.03320	0.5
57.33160	0.3
57.42078	0.3
58.00478	2.4
59.01264	54.5
60.01601	0.4
60.11381	0.3
60.99216	0.3
61.98712	0.6
69.03334	0.6
70.78967	0.9
71.01269	49.8
72.01614	0.4
72.99194	3.1
73.02838	12.7
75.00757	0.9
81.03327	0.4
83.01292	1.1
85.02845	4.9
87.00805	1.8
87.04366	0.3
89.02337	100.0
90.02669	1.5
93.03344	0.6
95.01284	0.9
96.95899	0.8
97.02860	1.0
99.00778	28.7
99.04401	0.4
101.02347	42.4
102.02686	0.9
108.02090	0.9
109.02868	0.7
111.87254	0.3
113.02350	9.5
115.03913	0.8
116.92719	0.3
119.03419	3.4
123.00759	0.5
123.04388	0.3
125.02369	4.5
131.03432	19.3
132.03754	0.4
135.04451	0.4
137.02391	0.9
143.03442	2.9
149.04497	84.2
150.03081	0.3
150.04855	2.1
151.00296	0.4
151.03914	0.5
152.01036	0.7
153.01877	0.7
161.04501	4.4
162.04811	0.3
165.01857	0.9
165.04022	0.4
165.05499	0.5
175.02417	0.4
180.04224	0.6
191.05583	17.4
192.05925	0.5
195.06563	1.4
207.48705	0.3
221.04550	0.6
221.06636	8.0
233.15439	0.9
245.15466	0.8
251.07776	11.9
251.16441	0.7
275.07816	1.4
281.08731	1.0
287.16629	0.8
293.08856	3.7
297.08017	0.8
311.06287	0.6
311.09888	9.6
315.07321	0.8
353.06824	0.3
355.07858	0.3
365.06659	0.4
383.06946	0.7
413.21805	0.7
459.09488	0.6
459.69583	0.4
473.10703	0.4
497.20282	0.6
515.25232	2.4
531.24103	0.6
545.26154	34.8
546.12939	0.4
546.26447	5.8
549.25421	0.3
557.26093	3.9
558.26160	0.5
563.13788	1.9
564.14404	0.4
575.27014	0.7
599.27155	4.2
600.27435	0.8
635.18243	0.7
636.15308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35536	0.4
57.03337	0.7
58.00481	2.6
59.01261	60.8
60.01590	0.5
61.98714	1.0
63.14003	0.5
69.03321	0.8
71.01266	51.7
71.50928	0.5
71.51340	0.5
72.01585	0.6
72.99187	4.0
73.02831	14.4
75.00761	0.9
83.01262	2.2
84.71632	0.5
85.02835	5.1
87.00770	1.8
89.02333	100.0
90.02660	1.3
93.03374	1.0
95.01283	0.7
96.95921	1.3
97.02847	1.7
99.00775	30.6
100.01128	0.6
101.02341	43.9
102.02711	0.7
108.02084	1.8
109.02863	1.3
113.02355	9.2
115.00309	0.7
115.03909	1.0
116.03497	0.6
116.92780	2.7
117.03408	0.6
119.03416	3.7
119.04928	1.7
125.02396	4.4
128.97105	0.4
131.03423	19.7
137.02380	3.6
143.03418	4.0
145.02866	0.6
149.04488	90.9
150.04836	1.8
152.01077	1.6
153.01895	1.0
161.04486	5.4
165.01894	1.5
165.05524	1.2
175.02464	1.1
179.05609	1.0
180.04184	0.7
191.05580	18.2
192.05832	0.7
195.06586	2.8
198.75502	0.4
221.06664	10.6
243.08737	0.5
245.15486	0.8
248.09360	0.8
251.07767	12.5
251.16574	0.7
252.08090	0.6
275.07889	1.4
277.87482	0.6
281.08972	1.0
287.16568	0.8
293.08832	4.8
295.06287	0.7
297.07730	0.8
311.09900	10.0
315.07306	1.3
353.06747	2.0
380.03323	0.5
383.07471	1.5
413.22235	0.7
443.09851	0.8
473.17017	0.6
515.25140	3.2
531.24969	0.8
545.26123	35.8
546.26587	4.2
557.26086	5.1
563.14111	6.5
564.14862	1.2
575.27344	0.9
599.27228	6.3
634.08209	0.5
635.17474	0.5
636.16174	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	634.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.2
59.01272	6.2
61.98714	2.3
63.02283	2.1
65.00216	4.8
70.67570	1.6
71.01270	3.9
72.99181	1.1
73.02839	0.9
83.01289	4.8
85.02835	1.8
87.00780	1.1
89.02325	2.8
93.03359	1.7
95.01283	1.8
96.95885	0.9
99.00790	1.6
101.02352	1.7
105.03366	1.0
107.01299	7.9
107.54664	1.0
109.02859	6.9
113.02361	1.6
116.83405	0.8
117.03375	2.1
119.03388	1.0
119.04935	1.5
121.02866	1.6
123.04490	1.1
124.01535	1.1
125.02392	8.4
126.02816	1.0
133.02875	4.9
134.02371	1.7
135.04456	2.6
136.01601	2.3
137.02376	32.5
139.03905	2.0
144.97684	0.9
146.66154	0.8
147.04370	1.5
149.02359	2.6
150.05565	0.8
151.00316	22.7
151.03908	2.0
152.01143	2.0
153.01834	2.0
156.04483	2.6
157.56805	0.8
158.03656	1.8
160.03940	1.2
161.02402	2.0
161.04445	1.0
162.01904	5.7
162.05367	1.0
163.00366	0.8
163.02719	14.6
163.03972	1.5
164.03493	17.6
165.01862	1.1
165.03813	1.5
169.01450	1.3
171.04527	1.0
174.05568	2.5
175.00266	1.1
175.03964	2.2
176.01317	1.2
177.01868	4.8
178.99794	2.9
179.03438	3.6
183.04457	1.6
185.05988	1.3
191.03523	1.6
192.00645	1.0
193.01447	1.1
195.97362	0.9
199.04021	1.9
200.04799	1.5
205.01427	2.6
206.04556	3.3
211.03993	1.6
213.05544	1.5
217.05009	3.1
227.03503	7.2
228.04054	1.8
229.05070	3.5
230.04428	1.0
231.01717	4.6
232.02504	3.3
240.04379	2.1
241.05035	4.5
243.03091	1.8
252.04353	1.2
253.05157	2.1
255.02942	2.7
256.03778	8.9
257.04572	12.1
258.04776	0.9
267.03003	0.9
268.03784	3.4
269.04562	6.1
271.06155	10.2
279.05499	2.2
280.03751	2.3
281.04599	10.5
282.04712	1.8
282.07761	1.4
283.05600	2.5
284.03275	50.5
284.05676	3.8
285.04086	99.9
286.04434	9.7
297.03955	0.9
298.07416	1.4
299.05640	2.9
307.04929	5.0
308.05408	10.1
324.05264	1.3
325.05890	3.7
326.06592	10.3
357.13690	1.0
447.09598	2.2
459.11374	1.4
472.14725	28.8
473.14944	3.6
501.12445	2.3
514.15778	3.8
540.13831	3.3
563.09924	0.9
574.42694	0.9
577.16193	1.0
589.15875	1.7
590.17749	1.1
593.15216	30.3
594.15582	5.6
606.18396	6.6
607.17358	3.3
616.16711	7.1
617.16516	1.7
634.17908	100.0
635.18036	17.0
635.27240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.274
Annotation	Insularine 2beta-N-oxide
Peak:m/z	Relative Intensity
50.00791	0.7
57.03320	1.3
59.01262	4.3
61.98692	1.5
69.33861	7.8
69.64196	0.7
70.26156	0.7
71.01266	3.6
72.99183	0.7
73.02828	1.0
83.01292	1.1
84.04468	0.8
87.00731	1.0
89.02341	1.1
96.95894	1.3
97.02858	0.7
98.20515	1.4
101.02319	1.7
105.44878	0.7
108.04441	1.5
109.02885	1.1
109.23743	0.7
110.06053	0.9
111.00761	0.9
113.02346	1.2
116.92778	2.4
118.06494	0.9
119.04915	1.2
121.05260	1.8
122.06005	6.4
124.07597	2.1
125.02388	3.5
134.03717	0.8
134.06044	5.8
135.02940	1.2
135.06773	1.2
136.07584	1.8
138.05521	1.1
140.07083	9.1
146.06064	9.3
147.06706	1.1
148.07547	0.9
149.04701	3.1
150.05487	1.4
151.00279	1.6
151.03885	1.0
152.01044	1.3
152.07060	1.3
160.04034	1.0
161.04555	1.0
162.05559	4.7
164.03409	1.5
164.07112	4.6
166.05070	1.7
167.03389	1.4
167.05817	1.1
175.03854	1.3
179.05794	2.9
190.07428	1.5
196.07651	1.2
199.08739	0.8
212.10796	5.2
213.10323	2.1
226.07510	5.2
226.12411	13.4
227.08258	28.0
227.11571	3.7
228.08650	2.9
229.13466	1.0
239.08284	2.8
240.09058	7.0
241.09839	50.0
242.10574	11.5
243.11269	4.5
253.09946	2.3
254.10556	4.0
255.11414	25.5
256.11771	2.2
257.09268	1.1
261.12436	1.8
267.11407	1.2
269.04648	1.2
269.13000	44.4
270.10492	1.4
270.13556	7.1
271.10803	3.5
271.14536	7.6
272.08093	2.1
273.12485	5.3
283.10812	1.5
284.11731	1.8
285.04028	0.8
285.12421	6.4
286.09604	1.4
286.13290	1.2
297.12747	1.1
301.11981	5.8
303.13550	14.8
304.13870	0.9
309.04260	1.6
313.12061	6.9
314.12784	6.5
315.13586	6.5
316.10699	1.8
357.13498	1.7
364.16766	2.3
366.14706	3.2
369.13550	1.1
378.18387	1.1
380.16168	6.2
381.16779	2.9
394.17828	5.3
408.15607	7.2
409.15588	0.9
409.20346	1.4
410.20743	1.0
422.17325	3.5
423.17709	1.1
438.16687	2.4
452.18594	1.0
453.19104	9.7
454.19824	3.7
475.57776	0.8
575.17822	0.7
575.25153	20.5
576.25690	3.0
599.25714	1.9
617.26239	100.0
618.26538	14.5
618.36511	0.8
635.27307	76.3
636.18060	1.1
636.27594	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	634.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47290	0.1
57.03345	0.2
59.01264	3.0
60.99199	0.1
61.98717	100.0
62.98425	0.3
69.26726	0.5
69.27153	0.7
71.01258	0.9
72.99234	0.3
73.02834	0.3
83.01294	0.3
85.02859	0.4
87.00777	0.4
88.98682	1.0
93.06381	0.1
101.02362	0.4
108.02132	0.2
108.71129	0.1
113.02382	0.4
116.92773	0.5
125.02396	0.3
133.20914	0.1
135.04510	0.2
136.19948	0.1
151.00357	0.2
152.01064	0.1
155.37241	0.1
159.98827	0.1
161.04492	0.2
163.03961	0.2
300.97189	0.1
372.71295	0.1
394.10611	0.2
395.11298	0.2
409.12894	0.2
410.13239	0.3
411.13486	0.3
412.13989	0.2
513.30774	0.4
514.31738	0.3
515.32178	0.7
531.31763	0.2
533.33795	0.3
572.18451	0.3
573.19104	0.4
574.19153	1.8
575.20123	0.2
575.34869	0.2
590.33154	0.3
633.40515	0.2
634.21082	0.3
634.39319	0.2
644.76721	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	634.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00488	1.3
59.01263	13.7
61.95787	1.2
65.69655	1.2
70.31219	1.0
70.51727	2.9
71.01273	8.0
72.99171	2.5
83.01268	3.2
85.02814	2.0
85.18275	1.3
89.02330	3.8
93.03336	2.1
95.01275	2.1
97.02821	1.9
98.20499	1.1
98.91927	1.2
101.02338	2.7
103.03957	1.4
106.20107	1.3
108.02079	1.6
109.02881	2.3
109.50438	1.1
113.02364	1.4
117.03358	4.0
121.02853	2.4
122.02399	4.9
123.00786	1.2
123.04458	2.6
125.02356	2.9
131.01285	2.7
132.04457	1.3
133.02844	1.8
134.02394	2.8
135.04433	1.5
137.02380	6.1
139.00258	1.4
145.02838	1.5
147.04393	2.5
148.01602	4.6
149.02336	5.3
151.00296	1.6
151.03946	2.1
160.03975	2.5
161.02382	7.2
161.45313	1.2
163.00323	2.8
163.02759	6.5
163.03935	2.5
164.01109	1.6
164.03450	3.3
165.01843	2.4
166.02617	2.6
167.03432	1.6
174.05530	2.8
175.00287	10.8
175.03839	1.8
176.01041	2.3
176.03441	2.1
177.01979	2.7
179.03423	5.2
188.03458	9.4
189.01965	1.8
189.05576	1.2
191.03535	2.9
193.01372	2.2
200.03432	2.6
201.01877	1.8
203.03436	4.5
205.01454	2.9
205.03644	2.0
206.04611	2.6
213.05351	1.4
215.03574	1.4
216.06610	1.6
218.04570	4.7
230.04623	7.3
236.04930	1.4
237.05582	1.3
240.06610	1.5
265.05063	2.4
269.04584	3.1
270.05267	1.4
271.06137	3.2
277.04770	1.7
281.04562	5.3
282.05377	1.8
283.06049	3.6
284.03165	2.8
285.04190	3.3
290.06824	1.5
293.04614	18.3
294.05072	1.7
295.06079	5.1
297.04102	4.3
298.04816	5.9
299.05670	11.9
305.04620	2.7
307.05774	1.7
308.07953	11.3
309.04190	13.0
309.07849	2.0
311.05569	6.2
321.06558	2.9
322.07401	6.6
323.05774	3.9
326.06961	2.3
327.05115	17.7
328.05557	2.2
332.05682	6.8
334.07471	1.5
335.05426	1.5
339.04532	1.6
339.08011	2.2
340.08170	2.8
341.06543	1.6
349.46967	1.4
350.06763	17.7
352.10690	12.1
357.06274	5.2
367.07321	1.9
368.07813	7.9
380.07693	3.2
398.08835	7.3
413.08942	4.0
429.08398	3.4
431.09668	4.0
452.09970	5.0
470.11075	7.6
472.14716	32.5
473.10992	5.0
486.14014	2.5
496.12540	5.2
514.13623	36.3
515.13477	6.5
577.16058	9.7
593.15228	7.2
594.16431	2.1
616.16888	16.3
617.17371	1.9
634.17865	100.0
635.17957	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	633.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00487	0.5
59.01260	8.1
61.98714	0.6
65.03840	1.6
65.65868	0.3
67.01772	0.8
67.32726	0.3
67.87268	0.3
69.03334	1.2
71.01268	10.7
72.99182	0.8
73.02834	1.5
75.00762	1.0
77.64231	0.3
81.03347	0.7
83.01263	0.4
85.02832	1.6
86.90751	0.3
87.00742	0.5
89.02335	17.4
91.05431	4.9
91.45313	0.3
93.03360	2.0
95.01285	0.4
97.02858	1.5
99.00778	2.7
101.02340	3.4
107.04926	0.6
108.02048	1.9
109.02858	33.0
110.03220	0.8
111.00753	0.6
113.02315	1.9
115.03900	0.8
119.03350	0.4
119.04913	0.5
121.02872	9.8
122.03156	0.4
123.04449	0.4
125.02370	9.8
131.03435	3.5
133.02869	2.1
134.03676	0.6
135.04443	47.6
136.04749	1.6
143.03406	0.8
147.04456	11.5
148.05000	0.4
149.04494	4.7
157.06351	0.4
159.04514	1.8
161.04579	0.5
163.07573	1.1
173.05923	0.5
175.07576	1.1
176.08302	0.9
177.09091	0.7
187.07608	0.7
188.08356	0.8
189.09126	1.5
191.05577	3.2
191.10735	4.8
199.07552	0.5
201.09166	1.3
202.09961	1.4
211.07562	0.5
213.05595	1.7
213.09196	0.3
215.10773	1.7
217.12334	7.3
218.12773	0.6
225.09181	1.1
227.07124	1.0
233.06664	11.4
234.06992	0.5
237.09219	2.1
239.07173	1.4
251.07143	0.6
254.05847	0.5
255.06535	1.7
256.07397	0.6
256.11090	0.8
263.07230	0.6
265.12421	1.3
267.10190	0.5
269.08221	1.3
271.17358	0.7
280.14728	1.3
281.08243	5.3
281.11481	0.7
282.12564	0.8
283.09778	0.4
293.08847	20.2
294.09189	1.6
295.09839	0.8
297.14914	0.5
306.12680	1.4
309.11368	2.9
321.14911	2.3
322.12018	0.5
322.15353	0.5
323.12973	1.1
324.13638	2.5
339.16058	100.0
340.16376	10.0
347.09280	0.4
363.08798	0.5
364.09634	1.3
365.10312	2.4
396.08527	0.4
435.14554	29.7
436.14978	4.5
597.19720	4.0
598.20056	0.9
633.25659	13.7
633.40637	0.7
634.26221	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	633.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60066	0.4
50.85333	0.4
57.03332	1.1
59.01264	11.5
61.98721	3.1
63.31382	0.3
64.89106	0.4
65.03846	1.3
66.96754	0.4
69.03352	0.4
71.01270	17.4
72.99200	10.6
73.02825	2.2
75.00764	0.5
83.01278	1.3
85.02837	1.8
87.00774	0.9
88.98706	0.5
89.02332	1.6
91.05420	4.5
93.03362	0.9
95.01254	0.6
95.04877	0.4
96.95917	0.8
97.02862	0.4
99.00799	1.3
99.04379	0.4
101.02371	2.5
107.01302	0.6
108.02066	2.5
108.12646	0.3
109.02863	20.0
113.02361	1.8
115.00275	3.9
119.04944	0.9
121.02873	10.9
121.06524	0.5
122.03675	0.7
123.04415	0.4
125.02399	2.2
133.02898	1.4
134.03676	1.9
135.04449	66.8
136.01611	0.5
136.04744	2.2
137.02461	0.7
137.06036	0.6
147.04446	7.7
148.01541	0.4
148.05228	1.7
149.04616	0.4
149.05914	0.4
151.00316	1.2
151.03883	0.5
152.01096	1.6
159.04469	0.4
160.05251	0.6
160.78629	0.4
161.02376	0.9
161.04527	0.8
161.06018	0.6
162.06752	0.4
163.03983	0.9
163.07600	0.9
163.11258	1.2
164.04776	0.6
165.05467	0.4
171.10240	0.6
187.11371	0.4
190.02702	0.4
193.08653	0.5
199.04059	0.4
199.07573	0.5
207.10266	2.4
213.09419	0.4
225.09184	0.8
225.11273	0.5
227.07002	0.7
228.07927	0.5
231.06616	0.4
231.10316	1.1
233.11856	7.6
241.04897	0.4
247.09763	0.5
252.08040	0.9
254.05746	0.7
255.06638	1.2
269.04968	0.6
269.08209	6.6
270.08972	2.9
271.06128	0.6
283.09702	0.5
284.10577	0.7
285.11380	3.9
337.14447	0.6
340.13260	0.4
355.15582	100.0
356.15933	10.1
385.16806	0.5
425.12323	0.8
445.41949	0.5
513.30615	1.3
517.20905	29.9
518.21222	4.5
557.16931	0.5
589.33594	0.8
615.20911	6.8
616.21362	1.3
633.22009	25.5
633.31183	0.9
634.22168	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	631.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00370	0.5
55.01772	2.3
57.03339	2.7
58.00473	1.1
58.09642	0.5
59.01263	17.6
60.39034	0.5
61.98716	3.9
68.46946	0.5
69.03343	1.3
69.40984	1.4
69.41405	3.3
71.01266	16.8
71.04881	0.5
72.99192	1.5
73.02832	7.2
75.00745	0.9
75.30141	0.5
79.95643	1.2
81.03347	5.9
83.01276	42.2
83.04945	1.0
85.02841	4.9
85.99985	0.8
86.84829	0.6
87.00779	3.7
87.04394	4.8
89.02341	9.0
93.03364	1.9
95.01292	1.1
96.95914	44.7
97.02829	3.4
99.00779	9.3
99.04420	5.9
101.02348	49.9
108.02094	3.0
109.02852	1.2
111.04454	2.6
113.02364	5.7
113.99488	1.6
115.00286	1.6
115.03920	1.4
119.03460	3.8
119.04932	1.8
123.04395	0.7
125.02380	13.5
127.00298	16.9
137.02402	1.4
139.00159	0.5
143.03468	3.5
145.01353	1.0
146.03694	1.7
148.03755	0.6
151.03914	1.2
151.09630	0.6
152.01086	5.3
153.01849	1.1
155.03458	1.1
160.03998	8.7
161.02385	0.7
161.04398	4.4
163.04005	1.2
164.04651	1.3
165.01892	1.9
175.02438	1.8
179.03464	1.2
179.05563	1.4
179.06998	3.2
180.04289	1.0
185.04465	1.3
195.06630	2.6
204.02982	0.7
225.07721	2.3
310.72147	0.6
323.05814	1.1
403.13974	0.8
489.12796	0.7
541.23010	10.3
542.23578	1.0
571.24310	2.5
595.24011	2.9
596.24066	0.7
613.25226	2.0
614.52643	0.6
631.26288	100.0
632.26709	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	629.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.8
61.98715	0.3
69.16385	0.2
70.38678	0.7
70.39027	0.3
71.01257	1.1
71.39906	0.3
73.02840	0.4
82.76913	0.2
83.01246	0.2
84.60555	0.2
85.02829	0.4
87.00770	3.3
88.00316	0.3
89.02331	0.6
89.06296	0.2
93.03349	0.3
101.02323	0.3
102.18654	0.2
113.02377	0.5
119.01320	0.3
119.04961	0.3
121.02794	0.4
125.02341	0.4
133.02853	0.5
137.02385	0.3
137.05829	0.2
148.01587	0.4
161.02380	0.4
162.03198	0.3
163.03893	0.3
165.00589	0.3
165.01878	1.0
174.03157	2.0
177.01886	0.5
180.04266	0.5
187.07593	0.3
195.06552	0.7
197.06044	0.3
201.01871	0.8
202.02698	4.5
203.03279	0.6
204.04207	0.4
225.05663	0.4
225.07678	0.6
237.05560	0.3
238.06332	0.6
250.06343	0.3
253.05052	0.5
254.05925	0.7
255.06813	0.3
265.05035	1.3
266.05911	1.2
267.03094	0.3
267.06696	0.9
269.08313	0.5
281.04663	3.1
281.07846	0.5
282.05280	1.8
283.06149	6.6
284.06512	0.4
293.04474	0.5
294.05463	1.4
295.02505	1.1
295.06128	1.4
296.06744	0.5
297.07700	3.3
307.06189	0.7
309.04120	7.3
309.07254	0.3
310.04858	4.3
311.05664	4.7
312.03247	0.2
312.06271	1.3
314.04556	0.4
323.05649	1.0
324.06467	2.5
325.07236	14.0
326.07968	5.7
327.08560	0.8
335.09271	1.1
349.10626	0.3
352.09525	0.6
353.06464	0.3
353.10382	1.7
363.08801	1.1
364.09564	0.7
367.12042	0.8
377.10583	1.3
378.11020	1.0
379.11902	0.5
380.08920	1.7
381.09866	4.0
395.11417	13.2
396.12064	4.2
397.12799	0.6
407.11411	0.4
412.08096	1.0
423.14655	1.3
428.11569	0.3
437.15936	0.7
451.14078	6.3
452.14380	1.3
457.63300	0.3
460.13660	0.5
465.15616	2.0
466.16531	3.0
467.17181	2.9
473.10999	0.6
487.12363	1.1
488.13403	0.8
489.14041	1.4
520.12549	2.4
541.17041	0.3
558.17926	0.3
559.18787	2.0
560.18878	0.3
590.16492	1.3
611.21588	0.6
629.22516	100.0
630.22876	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	629.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72773	0.4
53.57438	0.3
55.39640	0.4
57.03347	0.4
59.01262	7.7
61.49330	0.4
61.98727	0.8
64.92393	0.3
71.01270	3.8
72.99214	0.6
73.02833	2.5
80.99406	0.4
81.03359	0.4
83.01291	1.2
85.02872	0.8
87.00780	0.8
89.02336	1.3
91.82849	0.4
93.03362	1.5
98.20675	0.6
98.95390	0.4
101.02338	2.8
101.84547	0.4
113.02362	1.3
117.03458	0.5
119.01308	2.4
119.03372	0.5
119.04913	0.8
121.02841	2.6
123.04430	0.4
125.02387	4.3
129.78641	0.4
132.02136	0.4
133.02905	0.8
147.00830	1.2
148.01619	2.7
149.02383	2.7
161.02373	0.6
161.04604	0.7
164.04712	0.8
187.04137	0.4
197.06075	0.8
199.07637	1.1
205.05067	0.6
209.11780	0.8
223.06148	1.2
241.05098	1.0
243.06659	0.7
248.04895	0.7
249.05688	0.8
253.05151	0.6
254.05867	0.7
264.04410	0.6
267.06702	5.2
275.10757	0.7
276.04123	0.7
277.05127	1.0
289.05157	0.8
289.08496	0.7
291.02945	0.4
292.03854	1.8
293.04590	0.9
295.06140	1.3
303.06830	0.6
303.10370	1.8
305.07959	0.5
306.05173	0.5
307.06293	2.1
308.06662	0.4
309.41534	0.4
317.04669	0.9
319.09842	4.6
320.03372	0.6
320.10135	0.8
321.04129	0.9
325.11023	0.9
329.08142	0.7
331.09604	2.8
332.03412	0.9
333.04080	2.3
334.04590	0.5
335.05630	0.9
335.09375	0.6
345.04211	0.9
346.08624	0.6
347.05615	1.9
347.09314	16.9
348.09906	2.7
349.10721	0.5
350.11728	1.5
357.08044	0.6
359.09229	1.1
360.09973	0.9
361.10901	2.9
362.11438	0.6
363.08728	0.5
363.12476	2.5
365.10468	1.1
374.07840	0.6
375.08804	20.0
376.09576	49.0
377.10052	6.4
381.09851	0.6
387.12811	0.6
389.10373	9.3
389.15076	0.7
390.11108	11.0
391.11957	100.0
392.12289	12.5
393.09683	0.5
405.13608	0.7
406.14432	0.8
407.15222	0.5
415.11954	1.0
416.12717	0.8
419.11301	0.4
424.15344	1.5
425.16150	1.9
429.13593	0.5
431.15039	0.8
433.13263	2.1
434.13809	7.0
435.14227	1.2
448.15179	0.6
449.16205	10.9
450.16647	1.7
452.14642	2.6
467.17255	28.8
468.17535	4.2
516.45435	0.4
553.17267	24.3
554.17517	3.9
583.18146	0.8
585.19592	0.9
585.36774	3.8
586.20819	0.5
586.36993	0.8
611.21375	1.6
612.21448	0.6
628.83295	0.6
629.22510	47.2
630.22864	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	629.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68051	11.7
57.03336	11.2
59.01258	42.8
61.98717	32.6
66.00851	13.2
69.03348	22.7
71.01278	50.9
71.50990	15.4
73.02878	15.2
81.03384	22.4
82.02869	14.3
83.01283	52.4
85.02860	21.7
87.00775	15.3
88.03932	17.3
89.02335	19.6
93.03365	48.2
95.01278	15.1
95.04892	15.9
96.95966	22.4
97.02850	30.6
98.02379	12.2
99.00779	22.8
99.04411	13.6
101.02364	35.2
107.01301	33.2
108.02081	42.7
109.02867	39.5
111.00792	43.9
119.04942	17.1
121.02862	35.4
123.00798	35.1
123.04460	27.2
124.01594	15.2
125.02377	74.8
127.00291	14.7
133.02878	36.0
135.04453	21.7
137.02371	49.0
139.00310	12.0
139.03973	27.8
145.02922	14.9
147.04419	12.8
149.02353	38.7
150.03111	12.8
151.00301	13.9
151.03940	38.5
152.01112	49.8
153.01869	91.9
161.02417	19.3
163.00346	18.2
163.03940	31.3
165.01878	48.5
166.02589	13.2
167.03468	44.0
175.03946	17.5
177.01906	38.3
178.99796	23.6
179.03441	43.3
180.04274	16.5
181.01402	24.2
183.02911	17.4
187.03978	14.6
189.01808	13.8
191.03503	26.6
193.01466	17.9
193.04948	14.2
195.02972	30.2
197.04523	14.8
197.08133	15.8
203.03519	13.7
205.01407	25.6
207.02975	29.3
209.04570	32.5
219.02934	42.3
221.00967	16.1
223.02446	30.8
235.02499	53.0
237.04019	17.9
241.05144	13.8
247.02556	14.9
251.01970	14.2
261.04120	15.0
263.02100	12.1
265.03561	13.5
266.54797	13.9
273.06256	23.2
283.06161	17.3
284.90451	11.9
285.04153	13.5
297.06696	14.3
299.04114	11.8
301.06403	13.9
303.07462	16.5
331.04807	21.9
369.05933	14.1
447.11188	19.1
451.08997	16.3
463.08820	16.8
475.09851	23.2
491.08078	16.4
493.09805	14.7
521.09119	14.6
539.10925	14.3
579.13544	18.0
595.13556	40.8
611.12744	29.4
629.13177	100.0
630.14185	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	629.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89547	0.2
55.01753	0.2
59.01263	2.5
59.63226	0.2
61.98703	0.8
68.99698	0.2
71.01264	1.7
73.02828	0.5
83.01272	0.3
85.02835	0.5
89.02319	1.4
93.03368	0.5
95.01307	0.3
96.95914	0.3
98.20596	0.3
101.02347	0.7
101.80236	0.2
109.02848	0.4
113.02332	0.7
117.03371	1.4
119.04949	0.8
121.02882	0.2
123.04459	0.2
125.02390	1.3
125.57394	0.2
126.02711	0.2
131.03429	0.4
132.02100	0.4
133.02884	0.5
135.04483	0.5
137.02400	0.2
147.04456	0.2
149.02394	0.4
149.04486	0.6
151.00310	0.2
155.09628	0.2
161.02473	0.3
161.04498	0.2
175.03954	0.2
176.01114	0.2
177.01958	0.3
181.67021	0.2
187.03967	0.4
189.01913	0.3
189.09183	0.2
190.02773	0.2
197.06047	0.3
199.04057	0.2
201.01906	0.6
201.09175	0.4
202.02699	0.3
203.03423	1.1
205.05019	0.3
211.03938	0.2
211.13264	0.3
215.03494	2.4
216.03920	0.2
223.07735	0.3
227.03470	3.2
227.06975	0.3
229.08699	0.5
233.04503	0.3
235.07811	0.3
235.47891	0.2
237.05693	0.3
239.07130	0.5
241.05116	0.6
242.05936	0.3
243.06609	0.4
245.04475	0.9
245.08203	1.0
249.05750	0.2
251.07149	0.6
253.05040	0.6
253.08875	0.2
255.06598	0.4
257.08237	0.3
258.09052	0.4
263.07104	0.5
264.07886	0.2
265.05035	0.3
266.05991	0.2
267.06689	0.8
268.07263	0.3
269.08282	0.4
270.09036	0.6
271.09885	0.2
277.04877	0.2
279.06757	1.0
280.07129	0.4
281.04593	0.5
281.08109	0.3
282.05472	0.9
288.10135	0.7
290.36203	0.2
291.06723	0.3
293.04633	1.4
293.08710	0.8
294.05350	0.7
295.06152	1.3
296.06943	0.6
297.07718	0.7
305.04745	0.3
307.06171	2.8
307.09744	0.3
307.13345	0.3
308.06860	1.2
312.06439	0.4
317.08148	0.3
319.06006	1.2
319.13422	0.5
320.06778	0.8
321.07562	0.4
323.05753	0.2
325.03900	0.2
325.07321	2.8
326.07721	0.3
328.05740	0.3
334.08554	0.9
335.09302	9.1
336.09766	1.2
337.07208	0.7
338.07996	0.4
347.09332	0.4
348.10120	0.3
350.11429	0.4
351.12479	1.5
362.11795	0.3
363.12439	4.8
364.12817	0.5
376.09775	0.5
380.12762	0.9
381.13501	100.0
382.13846	11.3
391.11957	0.9
409.12543	0.2
467.16632	0.2
518.85333	0.2
553.17413	0.5
585.20050	0.6
585.36371	0.8
628.38043	0.2
629.20734	0.8
629.38458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	82.6
61.98713	2.2
68.63171	1.1
71.00485	1.8
71.01266	4.5
73.02829	1.2
80.74746	0.9
81.03354	1.3
82.02883	1.3
83.01276	1.8
83.19139	1.0
85.02874	2.5
87.00735	1.3
88.63583	1.0
89.02329	1.1
93.03360	2.7
95.01270	1.5
99.00777	1.2
100.34715	1.1
101.02352	2.3
109.02892	3.1
111.00797	1.2
113.02382	1.6
115.00298	1.2
119.04941	3.1
121.02892	4.7
122.03672	5.7
123.00805	1.6
123.04471	2.3
125.02367	3.0
133.02869	2.4
135.04520	1.2
137.02370	2.7
140.15092	1.0
141.01857	1.4
145.02925	1.6
148.01701	1.0
149.01239	2.1
149.02376	29.2
149.06026	2.1
150.03169	57.2
151.00252	1.0
151.03905	2.9
152.01050	1.3
153.01866	2.7
161.02379	7.7
162.03128	1.3
163.04126	1.0
163.07596	1.2
164.04712	10.0
165.05522	99.0
166.02702	1.6
166.05937	4.6
167.03482	1.3
168.00610	1.0
175.07613	2.1
176.04716	5.4
177.01921	1.5
177.05574	1.0
179.03487	12.3
180.04237	7.2
181.04823	1.4
189.01942	1.2
191.07108	3.9
193.01384	1.5
193.08705	1.0
194.05827	16.1
195.06601	100.0
196.06935	6.3
209.06187	2.0
209.08179	40.8
210.08546	2.5
219.02916	1.4
221.04456	1.0
223.02686	1.5
259.07367	1.1
285.03644	1.2
339.72125	1.2
342.11108	8.1
357.13498	43.5
358.13568	4.9
405.15610	32.9
406.16031	4.1
465.82785	1.1
507.08005	1.1
596.44690	1.1
627.18500	1.5
628.26459	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	627.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.8
57.03333	3.9
58.00477	4.0
59.01264	100.0
60.01608	1.4
61.02818	1.1
61.98715	13.9
65.00221	1.0
69.03338	1.4
70.31000	0.9
71.01268	68.2
71.52046	1.5
72.01614	1.3
72.76476	0.9
72.99184	7.7
73.02838	4.3
75.00769	8.5
78.95798	4.6
79.62746	1.1
81.03349	1.5
82.02880	1.2
83.01266	5.8
85.02840	15.1
87.00770	7.4
87.04425	1.6
87.72079	0.9
88.98683	7.2
89.02338	81.8
90.02702	1.1
93.03330	2.2
94.98019	1.3
95.01273	7.2
96.95908	28.9
97.02866	1.5
98.02422	1.0
99.00788	2.8
101.02348	36.7
101.06023	0.9
106.84458	1.2
107.01296	1.9
108.02100	6.0
109.02872	3.4
111.00774	1.6
112.03946	2.0
113.02359	25.2
114.02691	1.4
115.00314	2.5
117.03376	1.2
119.03413	29.0
119.04921	3.6
121.02896	2.2
123.00785	2.8
123.04444	2.3
124.07674	1.2
125.02364	8.3
130.02605	0.9
131.03400	5.6
133.02864	1.7
134.03635	1.5
135.04449	2.4
137.02391	3.8
137.05952	1.1
139.00293	2.4
143.03458	7.8
145.02931	1.3
149.02400	2.9
149.04475	2.9
150.03148	2.1
151.00304	3.3
151.03951	2.8
152.01070	7.5
153.01805	4.4
153.09154	2.2
156.14706	1.1
157.82063	1.0
160.03979	1.3
161.02428	2.4
161.04477	12.6
162.05220	1.0
163.03873	2.4
164.04773	1.8
165.01863	1.7
165.05528	2.3
167.03459	2.2
175.02415	3.0
175.03870	1.7
176.04762	1.2
177.01941	4.4
178.05151	1.3
179.03482	2.2
179.03766	1.7
179.05580	36.2
180.06668	4.9
181.06766	1.1
189.05553	1.5
191.03418	1.4
193.04982	1.4
194.05907	2.4
195.06418	2.1
196.06189	1.1
205.05136	1.4
209.08159	6.6
210.08540	3.5
211.08618	2.0
260.18472	1.1
265.09354	1.7
283.06143	1.0
284.03424	1.1
285.04028	7.8
299.05505	1.2
309.03812	1.2
312.60223	1.0
315.07416	1.9
385.18561	1.4
386.19193	1.3
469.82944	1.0
474.97934	0.9
564.14923	2.1
627.16498	8.1
627.26471	4.4
628.25739	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	627.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06339	3.0
58.20541	3.0
58.48685	3.1
59.01267	40.1
69.82052	3.2
71.01273	45.6
71.58863	4.1
73.02828	6.8
83.01278	6.1
85.02841	13.4
87.00740	3.6
89.02335	33.1
101.02338	34.2
101.19430	2.7
105.56394	2.8
113.02356	24.0
119.03428	11.9
127.05114	3.1
131.03458	8.9
143.03522	3.5
148.97929	3.1
160.85506	3.1
161.04494	12.2
173.28183	3.1
179.05550	11.6
221.06674	10.9
247.55679	2.9
405.21222	9.2
426.76404	3.4
445.31546	3.1
567.17908	6.0
567.26685	100.0
568.26715	15.4
608.05219	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	627.2115
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.84726	0.3
61.98730	0.5
69.59435	2.2
73.02879	1.1
81.67400	0.3
98.19863	0.4
122.71085	0.3
134.07358	0.3
135.04529	0.3
153.47107	0.4
165.60330	0.3
190.72200	0.3
279.95117	0.3
350.78629	0.3
437.12686	0.9
438.13449	1.7
450.13278	0.5
451.14282	1.0
452.15048	3.8
453.15451	0.7
464.15231	0.3
465.16455	0.6
466.16852	0.7
467.16821	0.5
469.11563	0.4
479.17761	0.6
481.15143	8.6
482.15628	2.2
484.13708	0.7
493.15128	1.2
494.16028	0.9
495.16928	15.9
496.17325	3.5
498.15167	0.4
507.16559	0.7
508.18097	2.0
509.18634	1.7
510.18393	0.4
512.12994	0.6
519.16351	0.5
521.14624	0.7
522.15491	0.5
523.16785	0.9
523.19684	1.0
525.14429	0.3
526.14984	1.0
533.18335	0.8
535.16107	1.7
536.17053	2.5
537.17395	0.6
539.15680	1.0
540.17133	3.7
541.16852	0.7
551.19531	40.9
552.19800	8.8
553.17175	0.7
554.17096	1.1
555.19141	1.4
567.18811	0.4
568.16144	1.1
572.15564	3.2
573.16132	0.7
586.17267	2.3
587.17432	0.4
595.18494	8.9
596.18988	1.4
627.21124	100.0
628.21417	24.6
628.29767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1584
Annotation	Taxifolin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.03319	5.3
59.01260	29.6
61.98719	14.5
65.00211	14.1
65.77563	2.7
69.03352	4.6
71.01276	21.1
71.56750	3.6
72.99203	4.1
75.00758	10.4
78.95762	7.6
83.01263	13.9
85.02837	8.7
87.00764	6.6
88.14484	3.0
88.98679	5.7
89.02326	13.3
92.67268	2.7
93.03358	11.5
95.01286	19.5
96.95914	55.2
96.96851	6.1
96.99209	4.1
97.02831	3.4
97.17013	2.8
99.00768	7.9
101.02319	10.0
105.82860	3.0
107.01289	11.8
107.04893	4.2
108.02088	6.9
109.02882	17.8
111.00786	39.1
113.02339	11.6
117.30001	3.1
119.03441	4.4
119.04906	5.7
121.02847	12.2
123.00797	22.1
123.04437	7.4
124.01590	4.4
125.02372	47.5
133.02895	15.4
135.04460	71.0
136.04869	3.4
136.98677	8.2
137.02367	26.0
139.00298	59.1
139.03961	7.8
140.01028	10.4
141.01871	76.8
149.02382	16.7
149.06065	4.5
151.00319	52.8
151.03955	21.0
152.00983	13.4
153.01892	28.4
154.99759	5.1
156.00597	15.8
159.04497	21.3
161.02423	17.7
161.04492	5.7
162.02998	3.2
163.00333	6.8
163.04002	3.7
164.98244	19.7
165.01872	22.4
166.02568	4.5
166.99800	8.2
167.03455	21.8
173.05898	3.3
175.00330	3.5
175.03920	3.8
177.01903	62.6
177.05452	9.7
178.02338	4.0
178.99825	3.5
179.03453	7.4
181.01401	22.0
183.02985	4.6
185.06024	5.5
187.03976	6.8
190.99765	4.7
191.03468	4.7
192.00598	5.6
193.01418	49.3
194.01826	2.6
194.05827	3.5
195.02945	3.3
195.06628	8.0
201.05589	5.8
203.03465	5.3
205.01451	4.8
205.05150	3.3
208.00066	13.3
213.05579	6.1
215.03510	5.5
227.03369	6.0
229.05128	8.0
231.06670	10.2
232.06686	3.8
239.03444	5.3
241.05020	3.2
243.02863	3.5
247.05919	3.6
255.03064	7.2
256.03748	3.9
257.04590	15.2
271.05911	3.1
273.04077	6.5
275.05658	7.3
283.02390	6.8
284.03305	4.1
285.04144	18.6
285.06720	3.8
287.05646	9.6
288.06161	4.1
298.04721	3.9
299.05182	11.7
300.02713	12.6
301.03540	36.0
302.03989	6.1
303.05051	6.8
319.04739	6.5
397.13599	3.2
447.10635	6.1
449.13217	7.9
459.11838	6.0
465.12482	6.3
473.13739	4.7
475.10989	6.4
477.12857	4.6
485.12845	6.6
489.12384	7.0
491.10706	5.4
501.12390	8.2
517.11975	14.3
555.17212	6.5
564.14417	24.4
565.15137	6.6
583.16858	8.0
609.14655	74.5
610.15350	11.3
627.15735	100.0
627.25726	6.5
627.33643	5.2
628.15881	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73943	1.4
57.03336	14.2
59.00999	2.2
59.01266	24.1
59.08595	1.2
61.98709	3.9
64.16649	1.4
69.03351	1.7
69.26918	4.0
69.27343	8.6
71.01261	11.3
72.99197	3.1
73.02844	2.9
74.71374	1.2
81.03344	2.6
83.01263	5.0
83.02385	1.2
85.02849	4.7
87.00784	2.9
88.98670	1.5
89.02336	7.7
93.03379	6.7
95.01279	4.7
97.02837	3.3
98.19838	2.2
99.00793	7.5
99.04461	1.5
101.02357	6.6
105.03373	1.6
107.01263	2.0
107.04913	1.7
108.02122	2.2
108.78310	1.1
109.02843	9.0
111.00758	3.6
111.04414	1.3
113.02352	4.5
117.03381	3.0
119.01275	1.8
119.03410	2.1
119.04893	2.8
121.02879	7.3
123.00841	1.9
123.04433	3.0
124.01537	3.7
125.02367	100.0
126.02673	3.5
131.01279	4.8
131.38794	1.2
133.02879	4.1
135.00810	2.7
135.04430	5.2
137.02383	14.7
138.03171	2.0
139.00323	1.8
139.03934	2.0
140.01123	2.8
141.01859	4.6
147.04434	1.7
148.01558	1.5
149.02391	21.7
150.03181	11.1
151.00287	3.9
151.03966	6.7
152.01088	4.6
153.01910	8.2
159.04398	1.5
161.02379	9.5
163.00299	5.7
163.03935	2.8
164.01070	4.1
164.04582	1.3
165.01871	16.0
165.05508	14.3
166.02644	6.3
167.03465	6.9
173.02382	1.9
175.00307	10.8
175.03946	2.3
176.01079	4.3
176.04680	1.5
177.01892	34.0
178.02473	3.7
179.03447	8.5
179.05649	2.6
181.01340	2.6
182.02147	1.7
183.02872	1.3
189.01859	6.8
190.99837	2.8
191.03479	4.9
192.00531	2.7
193.01369	8.1
194.02095	3.4
194.05826	2.1
194.84047	1.3
195.02895	4.4
195.06622	20.3
196.06821	1.7
198.01653	2.2
201.01962	1.7
202.99860	3.7
203.03482	1.8
205.01404	16.7
206.02075	4.1
207.02975	13.3
209.00922	1.5
209.08125	11.4
209.11801	4.4
210.12120	3.7
213.05595	1.6
215.03334	1.6
217.01437	3.6
219.03023	14.5
221.00914	1.8
223.02373	3.4
227.03535	2.2
229.05215	1.6
231.03000	1.8
233.00940	6.9
233.04678	1.3
235.02548	7.5
241.05194	2.0
247.02509	1.9
253.05164	3.5
255.06688	1.8
257.04605	2.8
258.05197	1.3
259.06430	1.7
261.04123	1.5
269.04660	2.6
271.02515	1.6
273.03909	1.6
281.04568	6.6
283.06085	1.7
285.06223	3.7
286.41156	1.4
287.08032	1.6
293.04672	11.1
297.03906	2.8
299.05600	4.3
309.04095	5.4
311.05640	3.3
313.09451	3.1
314.04169	2.6
316.05823	1.5
323.05627	2.3
325.02930	1.9
325.05878	5.0
326.06665	1.6
327.05161	5.4
339.07446	10.8
343.04495	5.9
355.04657	4.3
356.05334	2.5
373.05582	2.4
397.07809	2.7
405.15372	2.6
407.11850	2.4
413.08774	2.5
429.07736	1.7
433.13852	1.8
440.03708	1.5
445.07498	2.0
447.08899	2.1
449.12857	2.5
460.12393	3.0
463.09018	4.4
465.10498	5.2
475.11667	1.6
481.09509	1.7
487.11169	6.8
489.11368	10.0
490.11285	1.3
501.13123	1.7
507.11490	15.8
508.11838	1.8
517.12018	3.4
547.47968	1.4
553.15851	1.4
577.15741	11.8
578.15735	1.8
581.15192	2.5
583.16956	1.7
592.14093	1.5
593.15204	13.1
594.15637	1.9
609.14758	13.5
610.15240	5.2
627.15515	39.9
627.25702	2.4
628.16132	6.0
628.25751	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	625.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61289	0.2
55.01765	0.7
57.03332	1.1
58.00471	0.8
59.01265	19.3
61.98718	1.1
69.03344	1.0
70.30180	0.2
71.01270	15.7
71.07434	0.6
72.01617	0.3
72.65694	0.2
72.99208	1.3
73.02843	2.3
75.00774	0.7
80.02574	1.3
80.23357	0.2
81.03347	2.3
83.01279	1.9
83.04411	0.3
83.04913	6.6
84.02039	1.4
85.02845	3.8
87.00774	3.8
89.02337	13.5
90.02699	0.3
93.03328	0.6
95.01282	0.8
95.04919	1.0
96.95905	0.5
97.02866	2.0
97.06492	0.3
99.00788	1.4
99.04423	0.4
101.02345	11.6
106.50195	0.3
107.04939	0.3
108.02095	0.3
111.00835	0.4
111.04429	0.3
113.01635	0.5
113.02364	6.3
115.03929	0.3
119.03411	4.3
119.04969	0.3
121.02892	0.4
123.00809	0.4
123.04386	0.3
124.01612	0.3
125.02361	5.2
125.05975	0.8
130.10922	0.2
131.03429	1.0
133.02858	0.2
133.04961	0.3
135.04442	0.5
135.08089	1.0
137.02383	1.3
139.00206	0.3
139.03908	0.6
141.01910	0.4
143.03439	2.6
149.02444	0.3
149.04530	0.4
151.00351	0.3
151.03976	0.5
161.04510	2.4
163.03897	0.3
163.11229	5.1
165.05498	0.8
165.12790	3.3
167.03432	0.6
177.05476	0.4
179.05574	3.0
181.05037	0.5
181.12305	1.0
185.04556	0.3
191.10741	1.2
193.04984	0.5
195.06650	0.7
199.05974	0.3
199.13364	0.7
208.10628	0.3
209.11818	100.0
210.12151	5.7
216.96623	0.3
217.07181	0.3
219.05132	0.3
221.06645	0.9
226.11703	0.4
227.12894	21.2
228.13203	1.5
235.08257	4.3
253.09206	1.3
263.07809	0.6
269.04501	0.3
277.09360	0.6
287.07758	1.0
305.08856	1.6
323.09943	0.6
360.37259	0.3
379.12350	0.3
391.14172	0.5
397.13580	32.8
398.13968	2.3
403.13998	0.3
406.16226	0.5
415.14658	18.8
416.14917	1.3
421.18808	4.2
422.18924	0.3
521.33429	1.3
607.26453	0.6
625.16083	0.4
625.26556	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	626.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99165	0.1
57.03339	1.0
59.01263	1.6
61.98716	100.0
62.30707	0.1
62.98423	0.1
65.00185	0.1
71.01274	0.7
72.99207	0.1
73.02836	0.2
75.00760	0.2
81.03372	0.2
83.01302	0.4
85.02859	0.4
89.02306	0.2
91.05434	0.1
93.03361	0.2
95.01290	0.1
96.95918	0.4
97.02818	0.1
99.00832	0.1
101.02336	0.5
108.02076	2.0
109.02875	1.1
113.02374	0.3
119.04985	0.2
121.02887	0.3
123.04454	0.2
125.02364	6.0
126.02694	1.3
127.02838	0.1
130.53528	0.1
132.34113	0.1
133.02905	0.4
134.03639	0.3
135.04454	0.9
137.02394	0.3
139.03958	0.2
147.04532	0.1
149.02400	0.4
149.06023	0.1
151.00317	0.4
152.01080	2.2
153.01878	0.9
160.01563	0.3
161.02399	2.0
161.04501	0.2
162.02718	0.9
163.07544	0.1
164.04726	0.1
165.01884	0.2
165.05510	0.1
167.03540	0.1
175.03989	0.2
176.04388	0.1
177.01860	0.1
179.03485	0.1
181.08626	0.1
193.05139	0.1
197.11826	0.2
205.52936	0.1
223.06224	0.2
241.10843	0.2
255.06706	0.5
256.07095	0.4
257.07547	0.3
258.07449	0.1
284.03445	0.1
285.04172	0.1
285.11411	0.2
287.05704	1.8
288.05981	1.7
288.08936	0.1
289.06143	0.2
311.09393	0.2
315.07245	0.2
395.39413	0.1
449.10928	0.1
450.11499	0.1
463.12720	0.1
464.12521	0.2
465.32388	0.2
563.16223	0.1
565.18634	0.1
566.18933	0.7
566.29834	0.2
625.25146	0.1
626.16406	0.5
626.26025	1.0
627.17084	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	625.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62133	0.1
59.01263	100.0
60.01592	0.9
65.23558	0.1
71.01270	0.6
73.02836	0.3
85.02870	0.3
88.78664	0.1
93.25753	0.1
101.02383	0.3
109.02835	0.2
113.02374	0.3
125.02401	0.3
135.04468	0.4
137.02376	0.2
141.98227	0.2
149.06023	0.1
151.00388	0.3
152.01060	0.1
161.04507	0.7
163.03941	4.5
164.04292	0.3
178.06306	5.5
179.06792	0.3
193.08678	12.9
194.09029	0.6
209.11818	0.3
225.06113	0.2
269.05066	0.2
314.56595	0.1
326.55826	0.2
357.93094	0.1
403.17709	1.5
420.05283	0.2
421.05972	0.2
422.04950	0.4
466.64432	0.2
514.84271	0.1
595.17316	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	625.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.6
57.03337	13.3
58.00467	1.3
59.01266	37.0
60.01595	1.2
61.98718	31.7
65.03841	2.3
68.19341	0.9
69.03340	2.1
71.01268	36.1
72.01613	1.4
72.99194	4.5
73.02832	12.2
75.00756	7.5
78.95796	2.5
81.03360	2.2
83.01277	9.2
85.02837	17.3
86.03194	1.0
87.00784	5.4
87.04433	0.9
88.98688	1.5
89.02351	7.4
91.05422	7.6
93.03367	6.2
95.01275	5.2
96.95901	3.9
97.02853	5.7
98.20547	3.5
99.00778	7.7
99.04425	1.6
101.02354	22.0
102.02696	1.1
106.99229	0.9
108.02084	8.1
109.02869	29.6
110.03217	1.2
111.00800	1.1
113.02364	14.1
113.90554	1.0
114.02706	2.0
115.03931	1.2
117.03349	1.0
119.01315	5.1
119.03426	2.3
119.04939	4.3
121.02869	32.3
122.03098	1.0
123.00813	1.3
123.04451	2.4
124.01671	1.1
125.02366	82.2
126.02706	2.7
131.03404	2.5
132.02135	0.9
133.02863	3.9
134.03644	3.5
135.04449	62.4
136.04825	2.2
137.02345	3.4
139.03935	1.3
142.94214	0.8
143.03435	3.0
145.02914	1.9
145.06459	1.0
147.00793	2.6
147.04462	21.8
148.05199	3.0
149.02380	41.3
149.06023	1.5
150.02867	1.9
151.00296	3.6
151.03929	1.2
152.01144	5.0
152.02245	1.0
153.01886	2.3
159.02986	1.6
159.04469	2.2
160.01591	2.2
161.02376	15.9
161.04453	6.9
162.03062	1.4
163.03914	5.5
164.04732	31.7
165.01865	3.7
165.05208	2.3
167.03419	2.3
171.08028	1.5
173.06120	2.1
175.00327	29.9
175.03886	4.9
176.00919	2.7
177.01869	3.2
177.05539	1.2
177.50839	0.9
177.65961	1.0
179.03415	1.3
179.05740	1.3
179.07101	5.4
179.10767	2.2
181.01276	1.1
181.08644	2.4
187.07486	1.9
187.08902	1.5
189.01930	1.7
189.05482	1.1
189.09184	1.5
190.02689	83.8
191.03252	4.6
193.01364	4.2
193.05087	2.2
197.05820	1.1
197.11813	2.3
205.05051	100.0
206.05490	6.2
207.02975	1.8
208.03729	9.0
209.04178	1.3
209.11940	2.1
211.07722	1.6
213.09172	3.4
215.07079	5.3
223.06116	95.8
224.06503	5.8
225.66063	1.0
232.03697	2.0
239.07057	5.0
239.11682	0.9
241.10739	2.2
242.05908	2.1
247.06238	2.4
255.06677	1.5
257.08228	90.1
258.08560	5.1
273.18893	1.0
281.08203	3.1
283.06219	1.1
285.04041	1.8
287.05676	46.7
288.06024	4.1
301.11905	2.7
317.06540	1.7
337.05670	4.6
352.08081	7.8
353.08932	2.5
367.10413	96.8
368.10809	9.2
401.12204	2.3
402.14941	1.0
463.17627	6.4
505.33673	1.4
521.33289	2.4
543.78278	2.8
544.28961	3.7
544.79095	1.9
594.29712	1.3
594.79871	4.0
595.29639	2.7
603.80054	1.7
624.30408	5.6
624.81067	34.6
625.19269	21.2
625.31012	13.2
625.81366	3.4
626.19562	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	625.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.8
59.01264	11.2
61.98707	5.9
65.00195	9.0
69.38575	11.8
69.39005	7.0
71.01257	8.0
72.39689	2.3
72.99152	3.1
75.00761	3.4
83.01272	7.4
85.02828	5.3
87.00729	3.6
89.02341	4.5
95.01285	4.2
99.00792	4.7
101.02329	3.8
107.01280	14.4
108.02085	20.0
109.02876	52.5
111.00796	6.5
113.02330	4.7
115.00262	4.7
117.03391	2.8
121.02865	3.2
123.00783	6.0
125.02371	13.5
127.48448	2.2
131.41075	2.0
133.02896	3.9
134.03673	5.1
135.00780	4.3
135.04370	6.7
137.02390	10.0
139.00322	13.2
149.02344	4.1
150.99139	4.3
151.00299	61.1
151.03929	4.5
152.01109	29.8
153.01884	100.0
161.02298	3.7
161.04492	2.5
163.00360	14.5
163.03943	3.1
164.00972	3.6
165.01865	5.4
165.05496	3.1
169.01390	4.8
177.01926	9.7
178.99806	16.6
179.03352	3.1
181.01347	8.8
184.46114	1.9
187.03879	2.1
189.01808	3.2
190.99826	2.5
192.00664	3.6
193.01346	8.8
193.04933	2.4
196.20415	2.1
199.03836	2.8
203.03491	4.4
205.04857	2.4
206.99324	24.8
209.11699	2.9
217.01500	2.4
217.04927	2.8
229.05075	5.4
231.02991	3.2
243.02879	5.8
244.03543	2.6
245.04544	10.7
255.02979	4.1
270.01608	4.2
271.02576	15.0
272.03253	3.5
273.04068	6.8
284.03268	9.2
285.03998	8.9
287.05423	3.9
297.03824	3.1
299.01950	10.6
299.05481	4.4
301.03543	2.8
316.02182	9.1
317.02936	7.5
399.07941	2.3
431.11121	3.0
447.11423	3.3
449.12009	8.2
459.11697	10.8
487.11475	9.7
489.12558	6.4
515.10358	5.0
516.10608	4.2
521.33264	8.6
553.15680	6.3
554.50378	2.5
563.13995	6.9
581.15314	8.2
597.14478	2.5
607.13190	17.3
624.17035	3.3
625.15234	73.9
626.15448	12.8
628.23914	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	625.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03341	1.3
58.00488	0.4
59.01268	9.6
61.98723	1.6
65.00220	0.8
69.03342	0.7
69.17377	3.8
71.01272	6.8
72.01580	0.3
72.99200	1.1
73.02827	3.1
75.00768	4.2
80.92577	0.3
81.03321	0.5
83.01279	2.2
83.04906	0.3
85.02834	3.5
87.00789	1.5
87.04450	0.4
88.98698	0.6
89.02335	2.0
91.05425	0.6
93.03369	1.4
95.01284	1.2
96.95892	0.8
97.02879	1.1
99.00778	3.1
101.02342	4.0
107.01299	1.1
107.04945	0.3
108.02082	1.5
109.02875	0.7
111.00790	0.5
113.02360	3.3
117.03368	0.4
119.01288	0.8
119.04910	1.8
121.02869	9.9
123.04495	0.5
125.02384	5.1
131.03503	0.4
132.02104	1.3
133.02959	0.3
134.03662	1.8
135.04430	1.0
136.01642	0.4
137.02396	1.4
143.03458	0.3
145.02881	0.4
147.04466	3.6
149.02390	59.1
149.06024	1.2
150.02667	2.7
150.05486	0.4
151.00313	5.0
151.03906	0.6
152.01100	1.9
153.01733	0.6
159.02963	0.4
161.02373	0.8
161.04495	1.9
163.03954	0.9
164.04745	52.3
165.01826	0.8
165.05110	2.7
169.05013	0.4
175.00330	4.5
177.01904	0.5
179.03471	0.5
179.05611	0.3
179.07091	5.5
181.05006	0.4
190.02710	8.9
205.05054	10.6
206.05421	0.8
207.06583	0.7
208.03822	1.9
209.04597	0.4
223.06123	100.0
224.06464	5.1
241.10905	0.4
243.02948	0.6
246.09438	0.3
255.02965	0.5
271.02536	0.8
272.02869	0.5
273.03165	0.8
275.07944	0.5
285.03934	0.5
288.95612	0.3
293.08832	0.4
299.02200	0.6
300.02530	0.9
301.03488	0.6
301.07224	4.3
302.03235	0.6
314.04297	0.6
315.05035	1.5
316.05197	1.3
317.05716	1.2
355.14117	0.5
367.23026	0.4
373.15152	0.4
377.29083	0.7
401.11023	0.9
419.12140	2.0
447.11612	0.3
449.11966	0.5
507.25018	0.4
520.32587	0.4
521.33307	4.3
522.33813	0.4
539.34485	0.5
565.32599	1.3
581.35236	1.2
593.20190	0.5
625.17383	10.8
625.27106	0.6
625.33820	0.5
626.17969	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1427
Annotation	6,8-Di-C-glucopyranosyltricetin
Peak:m/z	Relative Intensity
53.59932	0.9
55.01770	1.0
55.06664	0.9
59.01258	2.1
61.98695	1.3
64.91356	0.9
67.79492	0.9
71.01257	3.2
72.99194	1.1
73.02832	1.0
75.00751	1.5
77.96900	0.8
79.01767	1.1
81.03328	1.5
83.01288	2.2
85.02814	1.2
87.00777	2.2
93.03342	4.4
95.01265	2.7
97.02857	3.3
98.19828	2.0
101.02317	1.5
104.27383	1.1
105.03391	1.1
107.01298	1.9
107.04885	1.3
108.02079	1.8
109.02843	3.4
111.00759	3.2
111.04432	1.8
113.02316	1.7
117.03382	8.8
119.04941	3.7
121.02850	3.4
123.00792	2.1
123.04414	4.2
125.02354	5.1
133.02876	2.6
135.04466	5.0
137.02396	4.7
139.03935	2.7
145.02881	2.4
147.04411	2.8
149.02399	7.4
150.03114	1.7
151.00246	1.7
151.03938	3.1
152.01074	1.6
153.01851	3.6
159.04411	1.6
161.02368	4.0
161.05997	1.8
163.00314	3.2
163.03955	4.3
164.01111	1.8
165.01888	5.9
165.05508	1.0
166.02675	1.0
167.03468	5.3
173.06122	1.1
175.03897	3.8
177.01888	7.6
177.05493	1.9
178.99820	1.5
179.03503	6.3
179.33444	1.0
187.03923	1.3
189.01915	3.4
190.02678	0.9
191.03484	7.5
193.01419	5.8
195.02887	2.1
197.06140	2.1
199.04013	1.5
201.01849	1.8
201.05518	1.6
203.03462	3.7
205.01393	3.8
205.05043	1.2
207.03001	4.5
209.04477	2.4
211.04018	1.2
213.05516	1.4
217.01407	2.2
217.04889	1.0
219.02965	4.9
220.03522	1.9
221.04478	1.3
223.02281	1.4
225.05463	1.3
227.03548	1.0
229.05113	1.8
231.02937	1.7
233.00833	1.2
233.04509	2.1
235.02394	5.4
237.03929	1.3
240.04250	1.0
241.04997	1.6
243.02959	1.0
243.06516	1.4
245.04465	1.5
247.02441	2.8
249.04114	2.4
253.05179	1.5
255.06787	1.3
257.04584	2.7
258.05240	1.0
259.05917	1.1
261.04086	1.4
263.02042	1.8
265.03610	3.3
269.04495	2.8
271.06219	2.6
273.03955	1.4
277.03534	2.9
281.04706	2.1
282.05365	1.8
283.06201	7.5
285.04025	3.8
286.04636	1.4
295.06055	2.3
297.03952	3.9
297.07693	7.0
298.04825	2.0
298.07990	1.4
299.05518	1.6
301.03464	1.4
307.04678	1.0
309.04068	2.2
310.04907	1.4
311.05753	6.3
312.06180	1.2
313.03653	1.4
313.06973	1.1
314.04324	2.3
315.04834	1.3
323.05154	1.7
325.07123	3.6
327.05142	3.7
328.05960	1.6
329.03061	1.4
329.06577	1.6
337.03220	1.4
339.05127	7.9
341.06570	3.5
342.03629	1.5
343.04556	3.8
351.05463	1.7
353.06766	16.7
354.07025	2.0
355.04495	2.3
357.06146	3.3
365.06439	1.2
367.04645	2.9
369.05923	5.1
369.99512	1.1
371.07825	2.0
381.06439	1.1
383.07813	5.7
385.05606	11.2
385.47321	1.0
387.07257	2.6
397.05890	1.7
399.06305	2.8
411.07385	1.2
415.06870	9.4
416.06989	1.2
431.09790	1.4
435.10458	1.0
445.08008	2.9
457.08029	1.3
459.09482	7.4
460.09766	1.2
461.11224	2.2
462.08072	1.4
469.07932	1.3
471.09314	1.9
473.10962	19.5
474.11127	1.8
475.08856	2.4
487.09250	4.2
488.37579	1.1
489.10257	1.8
490.31348	1.2
503.12082	2.2
505.09973	29.8
506.10327	4.0
507.11316	1.2
517.09424	1.7
535.11029	5.1
536.10815	1.1
577.12286	2.3
579.13788	1.1
591.13782	12.2
592.14252	13.1
593.14282	1.4
597.14532	1.6
607.12732	3.3
625.14215	100.0
626.14514	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	623.3445
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
52.84305	0.7
55.01769	0.9
57.03321	2.4
57.36625	0.7
58.00457	0.9
59.00997	1.1
59.01266	15.6
61.98698	2.2
65.19267	0.7
69.03329	1.3
69.27710	1.6
71.01270	16.6
72.99197	0.9
73.02840	5.1
77.09264	0.7
81.03374	0.9
83.01276	2.6
83.04908	1.6
85.02823	5.5
85.99953	0.8
87.00776	6.7
89.02333	6.9
91.10072	0.7
95.01273	2.5
95.04918	1.1
96.95927	0.9
97.02880	0.8
97.06515	1.1
99.00769	1.4
101.02351	13.2
107.04929	0.9
109.02797	0.7
109.06467	2.1
111.00777	0.9
111.08081	1.9
111.66999	0.7
113.02352	7.7
113.48226	0.7
113.91227	0.9
115.03937	0.7
119.03390	1.5
125.02377	1.9
133.04997	0.9
135.08055	1.8
137.09651	1.6
139.03893	0.8
140.30658	0.9
143.03484	1.2
145.05002	3.5
161.04468	3.5
179.05562	2.4
186.37633	0.7
191.10652	0.9
203.14391	2.0
211.13313	1.2
213.14941	2.0
231.17511	1.6
235.08240	11.7
239.16541	2.7
241.18120	1.0
247.13553	0.9
265.18063	1.2
275.16589	1.5
315.27100	3.4
316.27298	0.9
317.28522	1.1
325.25546	6.5
341.24802	3.9
343.26379	5.6
344.26828	0.8
351.23303	2.8
359.26001	9.8
360.26385	1.2
361.27524	2.8
369.24359	12.1
370.24753	2.0
377.27188	1.4
387.25479	41.5
388.25870	4.6
405.26541	33.7
406.26697	3.6
479.30090	2.7
541.64697	0.8
595.34808	2.2
605.33704	1.3
623.34473	100.0
624.34863	19.6
634.75891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86345	0.8
55.01760	1.2
57.03316	1.8
57.53858	0.8
59.01266	14.0
69.03341	1.9
71.00901	1.4
71.01270	16.7
71.51493	1.5
72.99171	1.4
73.02829	3.6
78.95787	1.1
83.01281	2.7
83.04907	2.2
85.02844	6.5
87.00764	7.6
88.80610	0.9
89.02336	8.8
90.22114	0.9
95.01250	1.6
95.04951	1.2
96.95927	1.0
97.06487	1.5
101.02345	14.2
104.04430	0.9
109.06496	2.3
109.96789	0.9
111.08067	1.6
113.02373	6.6
119.03397	1.5
125.02335	1.8
135.08096	1.7
137.09607	2.2
145.04991	4.0
152.99527	1.1
161.04468	3.2
163.07622	0.9
166.19942	0.9
169.88432	0.9
172.77814	0.9
179.05571	2.5
195.13878	1.4
202.04504	1.0
203.14391	1.5
210.37724	0.9
211.13290	1.7
213.14986	1.8
231.17551	1.7
235.08302	10.3
236.45215	1.0
237.14925	1.4
239.16463	2.8
267.19510	1.1
277.18271	1.1
313.25693	1.0
315.26953	3.4
324.08041	1.1
325.25351	4.4
341.24936	3.4
342.25238	1.3
343.26547	4.8
351.23230	3.4
359.26025	8.3
360.26401	1.2
361.27319	1.8
369.24432	11.8
370.24902	2.0
377.26974	1.4
387.25507	45.4
388.25827	5.5
405.21378	1.9
405.26578	34.1
406.26776	2.9
442.73206	1.1
479.29922	2.2
595.35004	2.1
605.33093	1.8
623.34473	100.0
624.34711	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	1.0
57.42220	0.7
59.01266	8.4
63.02290	2.6
64.28032	0.8
65.00207	9.3
67.46086	0.9
71.01266	6.6
71.62186	0.7
72.99210	2.0
73.02826	2.5
75.00750	1.8
79.63871	0.7
81.03354	1.3
83.01275	6.6
85.02853	3.6
87.00768	1.5
89.02331	3.3
91.01799	0.7
93.03363	2.6
95.01282	3.0
97.02865	0.8
99.00791	2.8
101.02348	2.1
107.01291	16.2
108.02070	2.0
109.02866	67.0
110.03196	2.4
111.00798	1.6
113.02372	3.5
115.00323	0.9
117.03370	1.4
117.81023	0.8
119.03403	0.8
121.02867	1.7
123.00787	2.2
125.02369	5.5
135.00803	1.2
135.04437	0.8
137.02394	4.9
139.00307	3.9
146.08174	4.2
149.02391	3.0
151.00319	55.4
152.00909	2.4
153.01888	100.0
154.02293	3.3
155.03506	0.8
161.02423	1.3
161.04623	1.1
163.00339	12.7
164.01064	2.2
164.04752	1.3
165.01901	2.4
165.99095	1.1
166.99835	3.6
167.03497	1.2
168.00613	0.8
169.01439	4.1
173.04173	0.7
175.00345	1.4
175.03996	1.3
177.01924	2.2
178.98428	1.3
178.99837	14.2
179.03392	1.1
180.00330	0.7
180.06975	0.7
181.01437	3.5
190.02632	0.9
190.99858	2.0
191.03453	0.9
192.00621	2.0
193.01343	4.2
194.99388	2.5
199.03909	1.0
203.03519	1.5
205.01437	2.6
205.05223	0.8
206.99348	27.1
207.99826	2.1
209.00752	0.7
223.06163	1.6
227.03522	1.0
229.87315	0.9
229.89395	0.9
231.02997	1.1
235.02554	1.9
240.73985	0.8
242.02248	1.5
243.02953	3.6
245.01025	0.8
245.04614	1.2
255.03098	2.0
256.03531	0.7
259.02554	1.1
259.06067	0.9
268.03815	1.2
269.04611	9.4
270.01874	1.8
270.04916	1.3
271.02576	6.9
271.06030	1.3
272.03271	1.3
273.04166	2.4
281.00970	1.4
285.04163	3.2
287.05661	2.1
298.01340	1.9
299.02008	3.4
299.05258	1.2
316.02277	2.9
317.03165	2.1
317.06549	1.1
339.07333	0.9
342.02521	0.8
375.27701	5.5
438.92279	0.8
459.11603	10.8
460.12109	1.1
461.13168	1.8
475.11340	1.2
477.12677	0.8
483.28299	0.7
487.10950	10.1
488.11581	1.2
489.12585	3.2
501.12473	1.7
503.10583	1.0
515.10504	6.2
516.11133	3.4
520.32599	1.4
521.33142	3.5
565.33051	1.1
579.14020	1.0
581.15289	2.0
581.35803	1.1
589.30847	1.1
595.16779	1.4
597.14862	2.2
607.13422	3.5
625.14160	23.2
625.34674	9.9
626.14612	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	623.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60165	0.4
53.85053	0.4
54.68182	0.5
59.01254	1.6
61.98712	0.8
71.52070	0.5
71.52443	0.8
79.05398	0.5
88.08122	0.5
93.03354	1.6
107.04926	1.5
108.02066	0.6
108.45340	0.5
109.02888	0.9
113.02273	0.6
117.03352	2.3
119.04960	0.7
121.02866	1.1
123.04421	1.0
125.02386	0.6
132.02104	5.1
133.02881	1.5
134.03598	0.7
135.04459	2.9
138.81857	0.4
147.04445	0.5
149.06024	0.6
155.06813	0.5
157.06522	1.1
161.02362	0.6
163.03947	0.8
171.08264	0.6
175.03894	0.7
185.06035	1.4
187.07651	0.6
197.05914	0.7
199.04010	0.6
199.07559	0.9
201.05522	0.8
209.06100	0.9
211.04060	0.9
212.04779	0.8
213.05569	2.1
213.12851	0.8
214.06329	0.9
215.07095	0.6
222.00574	0.5
223.07622	0.5
227.07106	1.2
229.05127	1.1
237.05453	0.5
239.03476	0.7
239.07095	0.9
240.04175	0.6
241.05063	2.6
244.09206	0.6
251.07384	0.7
254.05873	1.4
255.06615	5.1
256.07413	3.2
257.11823	3.0
259.11331	0.9
262.06552	0.7
263.07224	0.7
272.07834	0.6
273.09216	0.7
275.07272	0.8
275.10757	1.8
277.08508	0.6
285.07672	1.3
288.07843	0.7
289.08655	1.3
290.05911	0.6
290.09119	0.5
291.10300	2.1
301.08652	1.0
302.09601	1.0
303.10297	4.3
304.11047	1.7
305.04764	1.2
305.08093	1.2
305.11609	0.7
306.05420	0.7
307.06042	1.5
318.05475	0.7
319.06506	0.7
319.09906	4.6
320.10303	1.0
329.08246	0.7
330.09045	1.7
331.06165	0.7
331.09753	2.1
333.07794	2.5
337.14224	1.1
346.08478	1.7
347.09296	17.9
348.10040	26.3
349.10754	10.8
350.11240	1.1
361.11032	0.6
375.16281	0.6
380.09207	0.9
393.50583	0.5
400.13199	1.0
401.13968	1.5
418.14398	2.6
419.15063	42.8
420.15500	4.9
535.16205	0.7
553.17236	4.2
554.17804	0.9
584.14673	0.6
605.20709	0.8
623.21490	100.0
624.21851	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48037	0.2
69.24828	0.2
69.25137	2.0
93.03336	0.2
94.42669	0.2
98.20683	0.2
102.55058	0.2
107.04890	0.3
109.02856	0.3
121.02869	0.5
128.80135	0.2
130.03981	0.2
133.02856	0.6
135.04440	0.6
142.61069	0.2
148.01622	0.3
149.02377	0.9
154.10155	0.2
213.05464	0.2
241.12267	0.3
244.83926	0.2
249.05589	0.3
255.06807	1.2
267.06665	4.5
267.09772	0.4
268.07022	0.3
269.08191	0.4
277.09082	0.3
295.09842	0.5
301.49722	0.2
305.08212	0.3
309.11426	0.9
310.12079	0.9
310.44330	0.2
311.12903	0.6
319.09717	0.3
321.07794	0.5
324.16116	0.2
349.07361	0.3
350.08020	0.4
361.07147	0.4
363.08710	0.7
363.16196	0.4
364.09613	0.5
373.14630	0.5
375.08804	0.5
376.09488	0.5
389.10400	0.3
391.15656	2.5
401.14114	0.6
403.11758	0.4
404.12872	0.5
419.15076	100.0
420.15436	14.6
623.21887	0.7
623.35504	0.3
624.21539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81700	0.2
57.03336	0.2
59.00999	0.2
59.01244	1.4
61.98711	0.6
63.02275	0.4
65.00199	0.4
71.01265	1.2
71.09568	0.6
73.02832	0.5
75.00774	0.2
80.81802	0.2
85.02834	0.4
89.02349	0.6
91.01785	0.4
93.03358	0.3
96.95937	0.3
99.00774	0.3
101.02348	0.6
107.01269	0.7
108.02092	1.2
109.02856	0.4
113.02340	0.3
119.03400	0.3
119.04934	0.4
120.73489	0.2
123.04434	0.2
133.02895	1.7
134.03683	0.4
135.00819	0.3
135.04459	0.7
137.02402	0.5
143.04454	0.2
151.00330	0.5
152.01112	1.8
157.02831	0.4
159.04477	0.6
161.02342	0.3
161.04486	0.2
163.03934	0.3
169.06442	0.2
180.05786	0.5
181.06544	1.0
183.04460	0.5
193.05025	0.4
195.69194	0.2
196.05328	0.3
197.06084	0.4
199.03897	0.2
201.01720	0.2
201.05511	0.8
213.05618	0.4
224.04813	0.7
225.05580	0.8
240.04308	0.2
251.09319	0.7
269.04611	100.0
270.04941	7.9
309.59158	0.2
389.15817	0.3
447.11612	0.5
519.31903	0.5
623.15753	2.0
624.16931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.7
57.03339	0.9
59.01258	5.8
61.98721	0.8
69.43513	2.8
69.43939	2.0
71.01273	4.4
72.99202	1.7
73.02858	0.9
83.01279	1.0
85.02844	3.5
87.00760	0.8
89.02348	2.2
89.03857	0.8
95.01270	1.2
97.02864	1.4
99.00775	2.7
101.02346	3.6
108.02080	48.5
109.02906	10.9
109.06492	1.2
113.02369	2.2
117.03375	1.5
117.51685	0.5
121.02872	1.2
123.00829	0.7
123.04402	0.6
125.02380	3.4
133.02879	0.9
134.03667	22.8
135.04483	7.5
138.63414	0.6
149.06015	2.0
151.00278	1.1
151.03934	1.4
152.01096	100.0
153.01773	5.2
160.01616	2.7
161.02391	3.6
161.04501	1.6
163.03975	4.8
163.11237	1.2
167.03462	1.0
175.03987	2.5
177.01808	1.3
179.03523	7.4
181.12253	0.8
189.01942	4.2
190.02249	0.6
193.05052	8.7
205.01651	0.6
207.02997	0.9
207.10262	4.4
209.04965	0.7
219.68393	0.7
225.11337	5.7
269.04550	0.6
287.05688	1.3
296.03223	3.0
315.07407	1.6
397.13489	1.0
429.10388	11.3
447.11530	28.3
448.11905	2.7
519.31848	1.9
605.15210	1.7
623.16278	87.5
623.25043	4.6
624.16650	14.7
624.25934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12111	0.6
55.01768	1.0
57.03349	1.3
59.01273	4.5
61.98719	2.0
65.00217	1.0
71.01274	6.9
71.06178	1.2
72.99191	1.3
73.02859	1.5
81.03363	1.2
83.01279	1.8
85.02840	4.1
87.00773	1.5
89.02343	1.8
95.01308	1.3
96.95911	0.7
97.02872	0.8
99.00784	1.7
101.02348	3.1
107.01286	1.2
108.02081	49.4
108.76035	0.6
109.02898	10.7
109.06518	2.1
113.02372	3.6
117.03390	2.7
121.02868	2.1
123.00783	1.3
123.04482	1.4
125.02367	5.7
132.02028	1.1
133.02898	0.7
134.03665	26.0
135.04468	11.2
137.02379	1.1
141.01764	0.6
149.02374	2.9
149.06033	2.3
151.00307	5.5
151.04028	1.3
152.01094	100.0
153.01755	4.4
159.02980	0.6
160.01622	2.5
161.02420	5.9
161.04485	1.5
163.03928	6.1
163.11282	0.8
164.04716	1.1
165.01898	1.6
167.03505	0.7
175.02682	0.6
175.03966	3.4
177.01878	1.9
177.05714	0.7
179.03452	7.0
189.01903	10.7
190.02574	0.9
193.05040	10.2
199.76103	0.6
205.01343	1.5
207.03085	1.2
207.10275	4.4
223.06120	2.3
225.11351	4.1
240.04234	1.0
248.22701	0.6
269.04587	18.2
269.07312	1.2
270.04956	1.6
284.03381	0.8
287.05643	1.4
296.03357	7.1
297.03983	3.2
315.01651	0.9
315.07306	1.4
397.13614	1.6
429.10489	11.5
430.11090	0.8
447.11572	27.6
448.11884	2.4
459.11340	1.2
476.49271	0.6
519.31958	1.5
577.15704	0.7
595.16449	2.1
605.15216	3.0
623.16327	85.3
623.24957	3.7
624.16632	14.9
640.03790	0.7
647.69226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.9
59.01267	18.2
61.98725	4.6
63.02306	0.7
65.00208	6.0
68.29404	0.6
69.03374	0.6
71.01276	12.7
71.23814	1.0
72.99206	2.5
73.02840	3.9
75.00767	1.8
81.03380	0.7
83.01277	6.4
85.02850	7.1
87.00795	2.7
88.98708	2.2
89.02342	5.2
89.40804	0.6
93.03357	4.3
95.01293	2.2
96.95901	1.5
97.02892	1.7
99.00785	2.7
99.04350	0.7
101.02341	7.8
107.01294	9.4
107.04948	0.9
108.02094	2.4
109.02880	1.1
109.06490	1.4
113.02356	6.7
116.92790	1.8
117.03369	1.3
118.86413	0.6
119.04946	91.3
120.05306	4.1
121.02868	0.9
122.02388	1.3
123.00842	0.7
123.04449	1.6
125.02384	8.9
129.01778	0.6
129.08231	0.6
134.03662	1.1
135.04456	1.8
136.01598	1.0
137.02390	3.6
141.15289	0.6
143.03461	1.3
145.02898	2.3
149.02382	1.5
149.06012	0.8
151.00316	36.9
151.03952	1.2
152.01088	3.6
152.36331	0.6
153.01892	1.0
157.25648	0.6
161.02348	1.7
161.04514	3.0
163.03960	100.0
163.11206	1.4
164.01132	1.0
164.04295	5.7
165.01878	1.6
165.03996	0.6
165.05487	1.5
167.03371	1.2
169.01421	1.1
174.05632	0.6
175.00293	2.3
175.02368	1.0
175.03868	0.9
176.02591	0.5
177.01875	2.7
177.05627	0.7
179.05545	0.7
181.12381	0.7
189.01913	4.3
190.02534	1.2
193.01350	1.1
197.04622	0.7
205.05151	0.7
207.10272	3.3
223.06046	0.7
225.11343	3.5
227.08424	0.8
235.02528	1.1
239.08243	0.8
253.05083	5.6
254.05424	4.0
255.05615	1.6
255.07913	1.2
267.07782	1.4
269.04568	2.3
271.06345	6.6
281.09293	0.7
285.04120	3.4
287.10315	0.9
297.04120	1.2
299.06067	0.7
299.10553	0.7
309.08911	1.5
311.06567	1.7
315.05020	2.7
317.06763	1.5
341.11374	0.9
375.27426	0.7
397.13293	1.3
459.11722	3.2
479.11908	1.1
519.31903	8.9
521.12817	1.1
537.32532	2.8
579.33466	1.2
591.18536	0.8
605.14575	1.3
623.15973	88.0
623.78339	1.0
624.16437	13.9
624.28052	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	622.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67085	0.5
51.85757	0.4
53.27841	0.5
57.03357	0.5
59.01267	5.8
61.98716	100.0
70.49243	0.4
71.01270	1.7
71.52197	0.6
73.02841	0.9
75.00759	1.1
83.01290	1.1
85.02872	0.9
87.00747	0.5
89.02328	0.7
96.46002	0.5
96.95930	0.7
98.23911	0.4
99.00766	0.5
101.02340	1.3
105.60785	0.4
109.02885	0.8
113.02392	0.9
119.04907	0.6
121.02872	0.5
125.02359	1.2
133.02936	0.5
135.04503	0.6
137.06003	0.8
151.00319	1.0
165.05505	1.0
175.03964	0.5
200.47670	0.5
201.65286	0.5
211.34679	0.5
215.03491	0.6
227.03650	0.6
269.04654	0.9
295.06186	1.2
311.05780	2.4
323.05685	11.3
323.09418	0.7
324.06110	0.7
335.05716	3.4
336.05890	0.7
341.06757	2.3
353.06732	7.2
366.11176	3.5
378.11209	2.9
379.11768	1.6
396.12213	30.6
397.12759	8.6
398.13449	1.0
438.54355	0.5
559.18317	70.8
560.18719	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	621.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.4
57.03337	5.5
59.01265	11.8
59.92435	0.3
61.98716	8.2
62.98411	0.3
63.02289	2.0
65.00202	1.9
69.40972	2.0
69.41390	0.8
71.01271	5.6
72.01579	0.3
72.99201	1.0
73.02837	2.1
75.00763	1.3
76.28761	0.3
81.03383	0.4
82.48884	0.3
83.01276	2.3
83.04931	0.3
85.02850	3.1
87.00768	1.3
88.98717	1.0
89.02331	2.7
91.05437	1.2
93.03372	1.8
95.01284	0.9
96.95905	2.6
97.43252	0.3
99.00786	1.9
99.04412	1.0
101.02335	4.2
107.01295	3.5
107.04980	0.4
108.02100	2.1
109.02868	5.0
111.00799	0.5
113.02340	3.0
116.92734	0.6
117.03349	0.4
117.05468	0.4
119.03442	0.6
119.04944	6.1
121.02865	2.8
122.03716	0.4
123.04463	0.5
125.02357	2.9
131.03465	0.4
134.03627	0.7
135.02838	0.7
135.04451	13.5
135.08124	0.3
136.01692	0.3
136.04871	0.5
137.02394	2.2
138.03024	0.4
143.03342	0.6
143.04967	1.9
145.02885	2.0
147.04460	2.0
148.05145	0.9
149.02379	3.8
149.04498	0.5
151.00310	10.2
151.03931	0.5
152.01094	3.2
153.01749	0.4
161.02425	0.5
161.04494	1.2
161.05794	0.5
163.03960	0.7
163.06070	0.9
164.01154	0.4
164.04727	3.3
165.01845	0.5
165.07036	0.4
166.02615	0.4
167.07089	0.6
171.10268	0.4
175.00319	0.5
175.04019	0.3
177.01855	1.2
179.03450	0.4
179.05612	0.4
179.07115	0.6
180.05791	0.3
181.05081	0.6
181.06514	0.6
185.06001	0.6
187.03955	0.4
188.07132	1.0
190.02689	0.9
193.01360	0.6
193.05055	0.8
193.08682	2.5
205.05009	0.8
205.08841	0.3
207.10066	0.4
209.04395	0.4
209.06273	1.4
211.03990	0.7
223.06125	6.8
224.06404	0.5
253.05098	100.0
254.05434	7.9
255.06657	0.4
269.04501	0.5
271.06161	5.4
272.06467	0.6
295.06171	1.7
313.07285	0.5
315.12445	19.4
316.12891	1.6
327.21808	0.6
348.11392	0.9
350.55273	0.3
373.26047	1.9
383.11407	0.4
417.15598	0.5
425.08728	0.5
429.10608	0.5
441.11758	0.6
447.11469	0.5
477.17789	4.0
501.12851	1.2
517.30273	0.7
519.19220	2.2
520.19366	0.4
521.33362	0.5
545.13373	0.5
559.21759	0.4
561.16278	5.6
561.30872	0.4
562.16608	0.9
577.32056	2.2
578.32843	0.3
579.17206	0.8
585.21869	1.4
621.18304	7.0
621.35315	9.5
622.18781	1.8
622.34741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.2
63.02289	2.5
64.42863	0.4
65.00208	18.1
68.99715	0.6
69.37688	0.9
69.38098	2.4
71.01273	0.7
71.25248	0.3
81.03345	0.6
83.01274	9.2
93.03355	7.0
94.11157	0.3
97.02798	0.4
107.01292	28.4
108.02091	1.2
108.99234	0.9
109.02885	0.4
115.26251	0.4
117.03398	1.3
119.04942	50.8
120.05274	1.6
121.02875	0.4
125.02360	5.9
127.59618	0.4
135.00798	0.5
136.01579	1.4
137.02362	0.7
143.04967	1.4
144.79581	0.4
145.02879	5.3
149.02367	0.7
151.00305	100.0
152.00652	2.0
156.05954	0.3
157.06537	0.4
159.04424	0.3
161.06055	1.4
163.00246	0.6
163.04008	0.4
164.01125	1.6
165.01884	4.4
169.01372	1.0
175.00342	2.1
177.01886	7.4
184.05318	0.4
185.06032	2.7
187.03961	4.4
193.01390	1.0
196.00122	0.8
197.36926	0.4
201.05347	0.4
205.01541	0.4
227.07150	3.8
229.05017	0.6
235.02597	0.8
253.05304	0.5
269.04706	1.0
270.05280	0.5
271.06171	42.9
272.06512	2.6
278.67419	0.4
295.05908	0.4
313.07224	0.5
339.07294	1.9
459.13031	1.4
501.12637	18.3
502.13321	1.6
561.16028	0.6
579.17310	1.3
621.18372	65.4
622.18732	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	621.1627
Annotation	Naringenin 7-[3-acetyl-6-p-coumaroylglucoside]
Peak:m/z	Relative Intensity
57.03329	0.4
59.01262	3.0
61.98714	1.1
64.07132	0.1
65.00201	0.3
68.91272	0.1
70.02862	0.3
70.67852	0.1
71.01270	1.9
71.52205	0.1
72.01621	0.2
72.99176	0.3
73.02839	0.6
73.03197	0.1
73.71140	0.1
75.00751	0.3
81.30056	0.1
83.01280	0.4
85.02841	0.9
87.00778	0.4
88.98690	0.3
89.02320	0.6
91.01773	0.7
91.05462	0.1
93.03343	0.5
95.01285	0.3
96.95913	1.1
97.06469	0.1
98.95527	0.1
99.00777	0.6
99.04427	0.3
99.92478	0.2
101.02348	1.2
103.03916	0.1
107.01287	0.3
108.02072	0.4
109.02888	0.9
111.00790	0.2
113.02325	0.8
114.01874	1.1
115.02223	0.1
116.92769	3.0
117.01820	0.3
117.03384	0.4
117.92833	0.2
119.01263	0.6
119.03419	0.2
119.04954	0.7
121.02911	0.6
123.04393	0.1
125.02364	1.0
132.02098	0.3
133.02876	0.7
134.03654	0.3
134.06006	0.2
135.00813	0.8
135.02945	0.2
135.04457	1.2
137.02403	0.8
139.00314	0.1
143.03432	0.2
145.02919	0.2
147.00777	0.3
147.04433	0.3
148.05215	0.4
149.02393	1.1
149.05977	0.2
151.00294	1.1
152.01094	0.6
153.01904	0.6
156.25064	0.1
160.01598	0.3
160.05264	0.1
161.02356	0.3
161.04468	0.2
161.05962	0.1
162.03123	0.1
163.03937	0.4
164.04774	0.9
165.01884	0.3
167.03435	0.2
169.06505	0.2
173.05934	0.1
175.00323	2.8
175.02507	0.1
175.03877	0.2
177.01851	0.3
178.06360	0.2
178.99872	0.2
179.07121	0.3
180.05676	0.3
183.04356	0.2
187.03877	0.2
188.07121	0.3
189.05453	0.1
190.02672	6.5
191.03064	0.4
191.07005	0.1
193.04968	0.1
193.08669	0.2
194.05844	0.1
195.04408	0.2
196.05312	0.4
197.06042	0.6
203.07146	0.7
204.04279	0.2
205.05048	5.1
205.08714	0.2
206.05434	0.4
208.05296	0.5
209.06094	1.0
211.03970	0.1
217.08688	0.2
219.06584	0.3
223.04042	0.4
223.06111	0.9
224.04735	1.5
225.05583	0.8
232.06209	0.7
233.06496	0.2
234.54935	0.1
236.04599	0.1
237.05522	0.2
237.07700	1.1
247.05875	0.1
252.04347	0.6
253.05086	100.0
254.05429	8.2
269.04462	0.1
271.06119	0.4
315.12625	0.2
339.12445	2.0
340.12625	0.2
355.24698	0.1
357.13440	0.4
367.10400	6.8
368.10620	0.6
371.24747	0.1
373.16574	0.2
373.25778	0.2
417.15564	0.1
517.30072	0.1
561.29285	0.4
577.32635	0.4
579.17255	0.2
620.77954	0.5
621.18195	0.7
621.35748	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	620.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03332	2.7
59.01266	12.2
61.98713	5.5
68.99654	0.4
70.02868	22.0
71.01269	14.1
72.01611	0.5
72.99204	1.6
73.02838	3.5
75.00766	2.0
83.01275	2.7
85.02844	5.8
87.00780	2.2
87.97754	0.4
88.98708	1.0
89.02329	3.8
91.05450	1.4
93.03371	0.9
95.01297	0.9
96.00823	1.5
96.95917	4.3
96.99211	3.0
98.19856	1.2
99.00767	3.0
99.04451	0.5
101.02345	5.5
103.03918	0.5
107.01297	0.7
108.02089	1.6
108.92632	0.4
109.02878	2.7
111.00791	0.6
113.02363	4.7
114.01883	100.0
115.00315	0.6
115.02229	1.7
116.92794	0.6
117.03384	9.1
117.06996	0.9
118.06557	0.9
119.03447	1.0
119.04905	2.5
121.02893	1.6
123.08047	0.4
125.02357	5.6
131.03413	0.6
133.02859	0.5
134.03696	1.2
134.06050	14.5
135.04439	3.5
135.06354	1.0
136.04779	1.1
137.02371	1.1
139.00299	0.5
143.03429	0.9
144.08093	1.3
145.06500	0.6
146.06079	2.9
147.04398	2.3
149.02347	0.6
149.06068	0.5
151.00330	3.2
152.01114	2.5
153.01871	1.1
160.07603	0.7
161.02371	1.4
161.04504	2.2
161.05905	0.4
164.07138	2.0
165.05524	0.5
166.02695	0.6
168.64339	0.6
171.10243	0.5
177.01711	0.6
179.05595	0.5
181.05032	0.9
186.05600	0.4
188.07135	15.0
189.07491	0.9
189.12817	0.7
190.02612	1.0
193.05064	0.7
195.06659	0.5
232.06169	64.5
233.06549	3.5
240.04318	1.7
240.09875	0.4
253.05052	1.1
267.06900	0.5
268.03888	1.2
269.04556	1.2
270.05002	0.6
271.06262	1.6
283.06177	6.1
287.05740	0.7
301.03601	0.6
339.12350	1.2
340.12842	0.8
354.14362	1.1
373.16660	1.0
383.07291	0.5
387.20303	1.0
517.30322	0.7
543.32343	0.4
577.32507	1.2
601.79175	2.0
602.29016	0.6
620.17950	1.0
620.27032	2.0
620.34283	1.9
621.19812	1.8
621.31671	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	620.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03332	2.7
59.01266	12.2
61.98713	5.5
68.99654	0.4
70.02868	22.0
71.01269	14.1
72.01611	0.5
72.99204	1.6
73.02838	3.5
75.00766	2.0
83.01275	2.7
85.02844	5.8
87.00780	2.2
87.97754	0.4
88.98708	1.0
89.02329	3.8
91.05450	1.4
93.03371	0.9
95.01297	0.9
96.00823	1.5
96.95917	4.3
96.99211	3.0
98.19856	1.2
99.00767	3.0
99.04451	0.5
101.02345	5.5
103.03918	0.5
107.01297	0.7
108.02089	1.6
108.92632	0.4
109.02878	2.7
111.00791	0.6
113.02363	4.7
114.01883	100.0
115.00315	0.6
115.02229	1.7
116.92794	0.6
117.03384	9.1
117.06996	0.9
118.06557	0.9
119.03447	1.0
119.04905	2.5
121.02893	1.6
123.08047	0.4
125.02357	5.6
131.03413	0.6
133.02859	0.5
134.03696	1.2
134.06050	14.5
135.04439	3.5
135.06354	1.0
136.04779	1.1
137.02371	1.1
139.00299	0.5
143.03429	0.9
144.08093	1.3
145.06500	0.6
146.06079	2.9
147.04398	2.3
149.02347	0.6
149.06068	0.5
151.00330	3.2
152.01114	2.5
153.01871	1.1
160.07603	0.7
161.02371	1.4
161.04504	2.2
161.05905	0.4
164.07138	2.0
165.05524	0.5
166.02695	0.6
168.64339	0.6
171.10243	0.5
177.01711	0.6
179.05595	0.5
181.05032	0.9
186.05600	0.4
188.07135	15.0
189.07491	0.9
189.12817	0.7
190.02612	1.0
193.05064	0.7
195.06659	0.5
232.06169	64.5
233.06549	3.5
240.04318	1.7
240.09875	0.4
253.05052	1.1
267.06900	0.5
268.03888	1.2
269.04556	1.2
270.05002	0.6
271.06262	1.6
283.06177	6.1
287.05740	0.7
301.03601	0.6
339.12350	1.2
340.12842	0.8
354.14362	1.1
373.16660	1.0
383.07291	0.5
387.20303	1.0
517.30322	0.7
543.32343	0.4
577.32507	1.2
601.79175	2.0
602.29016	0.6
620.17950	1.0
620.27032	2.0
620.34283	1.9
621.19812	1.8
621.31671	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	620.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93861	0.1
57.03320	0.1
57.84217	0.1
59.01262	1.0
61.98717	100.0
62.98410	0.1
63.31178	0.1
68.18710	0.1
71.01282	0.3
71.36219	0.3
72.99243	0.1
73.02834	0.1
75.00764	0.3
85.02843	0.2
101.02337	0.1
109.02868	0.1
125.02372	0.2
130.79895	0.1
135.04454	0.2
136.04691	0.1
137.02449	0.1
145.64351	0.1
158.03386	0.1
209.11908	0.2
256.89633	0.1
395.11462	3.7
396.11932	0.4
500.19818	0.1
516.32385	0.1
557.16687	0.9
575.34741	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	620.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41978	0.9
59.01264	6.2
61.98719	1.4
62.48235	0.8
66.10471	1.0
68.99673	1.2
71.01262	7.7
71.28767	2.1
72.86362	0.8
73.02813	2.6
75.00746	2.8
81.03326	2.0
83.01256	3.5
85.02814	1.5
87.00748	3.5
88.98699	1.4
89.02303	2.5
93.03359	3.7
95.01278	1.6
97.02836	2.5
101.02322	2.6
105.03381	1.0
107.01237	1.5
108.02013	2.2
109.02858	3.8
111.04398	1.6
113.02338	2.2
117.03346	4.4
119.03385	1.3
119.04877	2.3
121.02892	3.5
123.00809	1.1
123.04420	4.1
125.02389	5.9
132.04408	1.6
133.02846	2.8
134.02371	2.2
135.04384	4.4
137.02354	6.8
138.02885	1.2
139.03949	2.3
147.04478	2.3
148.03993	2.9
149.02327	4.1
149.05988	1.4
150.03104	3.7
151.00281	2.0
151.03906	4.0
152.01059	1.8
153.01839	2.3
156.04477	2.3
158.06036	1.2
160.03979	2.4
161.02385	3.5
161.04498	1.3
163.02711	1.9
163.03952	3.4
165.01846	3.9
165.04007	7.7
166.02626	1.9
167.03427	6.4
173.02280	1.5
174.05592	1.7
175.03978	3.9
176.03374	2.1
177.01852	4.2
177.04219	5.0
177.05565	1.6
178.02626	2.5
179.03465	9.0
180.04196	2.4
181.05124	1.7
189.01868	1.7
189.05498	1.2
190.02686	1.2
190.05074	1.2
191.03429	4.4
193.01352	2.0
193.05022	1.9
195.02939	2.7
200.03410	2.5
203.03415	2.6
204.03094	1.1
205.01479	2.2
205.03761	8.8
205.05411	0.9
206.04456	1.9
207.02957	4.0
209.04495	2.7
216.06725	2.3
218.04492	2.1
219.02934	1.9
221.04524	3.2
231.02884	1.2
233.04460	2.0
235.02461	3.2
236.03159	1.2
237.03802	1.3
239.05470	1.5
240.24680	1.0
241.05103	1.5
245.04391	1.3
259.05963	1.1
261.03928	1.2
271.05988	1.1
283.06076	4.2
285.04105	1.0
295.06354	2.6
296.06711	2.8
297.04498	1.4
297.07751	8.0
298.04828	5.0
299.05646	2.9
301.07193	1.1
309.07672	2.3
311.05472	5.8
313.07059	3.0
322.07166	1.3
323.05734	4.0
325.07147	4.9
327.05026	5.0
328.05670	2.1
331.81699	1.1
337.07208	1.6
338.08948	11.8
339.05130	3.1
339.08972	1.6
340.08417	1.7
341.06549	2.2
353.06775	13.5
354.06845	2.6
355.08267	2.7
364.08502	1.8
365.06711	3.8
367.07901	1.4
368.09933	7.0
369.06137	8.4
371.07813	1.4
381.05960	1.8
382.09399	4.1
383.07712	9.2
384.08093	1.5
392.07983	3.6
395.07816	2.1
399.07178	7.0
410.08939	9.1
411.08810	2.3
412.10370	3.1
413.09363	2.0
422.08826	4.3
425.08926	1.9
429.08478	2.7
440.09885	12.9
441.09717	1.6
442.11136	2.4
443.10141	6.0
452.09964	1.5
458.13165	9.0
459.09406	3.1
464.10019	1.2
470.10751	6.4
473.11041	3.7
476.10040	1.2
482.11276	4.9
489.10504	3.3
500.12079	19.1
501.12299	2.7
503.12234	1.4
512.11957	4.5
530.13104	15.5
531.13245	2.3
542.12958	1.3
560.14600	4.7
561.12653	2.4
563.14282	22.4
564.14185	3.7
579.13422	6.4
580.14307	1.3
602.15222	8.9
603.15070	1.5
620.16254	100.0
621.16290	18.0
621.25336	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	620.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96980	0.9
57.03307	0.9
59.01265	4.6
60.12025	0.8
61.98716	1.4
65.00224	0.8
65.99712	0.8
71.01266	4.9
71.03012	2.3
73.02826	1.9
75.00753	2.0
81.03352	1.5
83.01273	1.0
85.02834	1.6
87.00783	1.4
89.02337	2.2
91.86680	0.8
92.14673	0.9
93.03362	2.3
95.01276	1.0
97.02837	2.6
99.00768	1.3
99.04350	1.1
101.02351	2.0
107.01283	1.0
107.04916	1.1
108.02054	1.5
109.02857	3.0
111.00713	0.9
111.04418	1.3
113.02336	1.4
116.92780	1.4
117.03379	5.4
119.03434	0.7
119.04930	3.3
120.04420	1.4
121.02860	2.3
123.04414	2.9
125.02371	6.3
129.01831	0.9
132.04474	2.0
133.02875	3.0
134.02409	2.0
135.04404	2.4
137.02373	4.6
139.03918	1.8
145.02866	1.6
147.03114	0.7
147.04420	2.2
148.03946	2.0
149.02371	3.4
150.03139	2.2
151.00272	1.1
151.03920	3.4
153.01837	1.1
153.05542	1.4
155.36406	0.8
156.04453	2.8
158.06128	1.0
159.04453	1.7
160.03931	3.5
161.02373	2.8
162.87845	0.8
163.03957	2.5
165.01846	3.1
165.03979	2.4
165.05373	0.8
166.02588	1.9
167.03456	5.7
173.02338	1.0
173.05859	0.8
174.05550	1.9
175.03963	2.1
176.01015	0.8
176.03462	1.4
177.01912	4.5
177.04222	5.1
177.05536	1.2
178.02615	1.2
178.05031	1.9
179.03520	5.4
180.04176	2.2
181.04955	1.6
187.04001	1.0
189.01892	1.9
189.05490	1.2
190.05078	1.5
191.03436	4.5
193.01404	2.0
193.04980	0.9
195.02959	1.9
197.04488	1.8
200.03458	1.7
201.01891	1.0
203.03513	1.2
203.07074	1.0
205.01436	2.1
205.03764	11.4
206.02174	0.8
206.04468	1.7
207.02917	4.5
207.04903	1.8
209.04443	3.9
209.26529	0.8
213.05508	1.0
214.05045	1.0
215.03517	1.0
216.06627	2.6
218.02429	1.1
218.04590	3.0
219.03014	3.1
221.00992	1.1
221.04443	2.8
223.02449	1.1
224.03429	0.9
231.03046	1.1
233.04642	1.9
235.02498	3.2
235.39017	0.9
239.05588	2.1
241.05116	0.9
242.04741	1.1
247.02452	1.1
249.04056	1.6
250.07089	1.2
253.05119	1.3
254.72729	0.9
255.06757	1.0
259.02530	1.0
261.04041	2.5
263.02115	0.8
265.03348	1.8
267.06882	1.2
269.04364	1.5
271.05991	1.2
275.05655	1.0
277.03619	1.0
278.06589	1.0
281.04648	2.5
282.05313	1.3
283.06113	2.3
285.04214	0.8
291.05048	1.1
295.06073	2.5
296.06830	2.4
297.07709	7.1
298.04758	4.5
298.07858	1.2
299.05573	2.8
307.05331	1.0
309.04303	1.4
309.07690	1.8
311.05536	5.5
312.06213	2.2
313.07141	2.9
314.07635	1.0
323.05713	3.1
325.07169	5.1
326.07047	1.4
327.05011	4.6
328.05786	2.2
329.06393	1.0
337.07126	2.1
338.09061	7.3
339.05145	5.5
339.08932	1.4
340.08389	2.4
341.06580	2.2
342.07382	1.3
343.08322	1.1
351.05099	1.3
353.06696	14.4
354.07077	1.6
355.08240	1.8
357.06161	1.1
362.07193	1.2
364.08276	1.8
365.06671	2.0
366.10226	1.3
367.07953	1.0
368.10019	12.4
369.06128	9.3
369.10275	1.8
370.06104	0.9
380.07721	1.3
381.06204	1.2
382.09766	4.2
383.07690	9.7
384.08081	1.2
385.09244	1.2
392.07663	4.3
395.07724	2.6
396.11096	1.1
399.07224	7.0
400.07782	1.0
410.08832	14.0
411.08981	1.5
412.10376	5.2
413.09009	2.8
422.08810	6.2
425.08459	1.0
429.08194	3.6
440.09851	17.6
441.09573	1.1
442.11224	2.0
443.09769	10.1
444.10059	1.7
452.09991	3.2
454.11749	1.2
458.13150	8.5
459.09406	3.6
470.11038	7.7
471.10248	1.1
473.10989	4.2
476.09958	1.0
482.10950	3.1
487.11533	1.3
489.10620	4.6
500.12189	16.5
501.11871	2.0
512.12341	5.3
530.13263	21.3
531.13135	2.7
542.13007	2.3
560.14392	2.6
561.13361	1.2
563.14191	37.0
564.14709	5.0
579.13599	6.6
580.14569	2.0
602.15198	9.9
603.15887	1.8
620.16302	100.0
621.16455	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	619.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	4.2
59.01265	100.0
61.98715	60.2
71.01272	20.7
71.60026	2.4
72.99210	9.2
73.02836	6.0
75.00766	4.2
83.01276	7.0
83.04921	2.1
85.02840	10.5
87.00792	3.0
88.98698	2.3
89.02346	4.4
95.01292	2.4
97.02873	1.9
99.00778	4.2
99.04411	2.5
101.02369	10.9
101.72242	1.5
108.02052	2.2
109.02869	4.7
113.02348	6.9
119.04913	1.7
121.02885	3.3
124.01574	2.2
125.02382	7.6
135.04445	8.3
143.03358	2.6
147.04553	1.7
147.55499	1.5
151.00327	2.9
152.01030	1.7
153.01886	2.4
159.03053	2.5
159.04399	1.8
161.04485	3.9
171.10178	1.7
177.01808	1.8
209.11708	2.1
237.75542	1.6
299.25641	1.8
301.10867	4.1
302.11301	4.7
303.11313	3.4
395.18558	3.1
396.19086	5.8
397.19162	7.8
443.30173	3.9
461.31061	1.8
515.32355	46.2
516.32568	7.1
533.33447	29.2
534.34113	4.1
557.16833	2.2
559.38983	1.9
573.18756	5.9
575.34558	14.8
576.34601	2.2
619.22473	11.3
619.33026	4.8
620.21362	1.9
620.32446	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02630	0.7
53.18810	0.7
55.90833	0.7
57.03318	2.2
58.00502	0.8
59.01266	73.6
61.98476	0.7
61.98724	7.7
68.21980	0.7
68.99715	0.7
69.03323	1.1
71.01274	12.6
72.99196	1.2
73.02831	3.9
75.00748	1.3
81.03350	0.9
83.01282	3.4
83.04916	0.9
84.02084	1.0
85.02839	8.7
87.00786	1.4
87.04398	2.3
88.98685	1.1
89.02339	2.1
91.05427	0.8
92.95718	0.7
93.03379	1.2
95.01270	1.4
96.34280	0.7
96.95903	1.6
97.02831	1.8
98.19779	1.8
99.00755	1.7
99.04404	1.0
99.36881	0.6
101.02351	6.1
108.02042	1.9
109.02846	5.2
111.00777	1.2
112.01540	0.8
113.02334	4.2
119.03393	1.2
119.04932	1.1
120.82558	0.7
121.02895	5.0
123.04395	1.0
124.01592	0.8
125.02337	5.3
125.05949	0.9
133.02872	1.4
133.06433	0.8
135.04442	17.2
137.02356	1.8
141.12756	1.6
143.03369	1.1
147.04449	2.8
148.01518	0.8
148.05132	1.2
149.02362	1.5
151.03979	1.6
152.01085	1.3
153.01839	0.9
153.12796	1.0
161.02386	0.8
161.04477	1.7
169.12172	0.8
169.52158	0.8
171.13893	1.2
177.09189	1.1
183.13814	1.2
189.09088	1.5
201.14980	1.4
203.10840	3.5
207.10175	0.9
229.73909	0.8
233.11871	1.4
235.06041	0.7
269.04785	1.0
269.08240	1.8
279.71317	0.7
285.11337	0.8
293.13910	0.9
313.07379	1.0
323.05609	0.9
325.14468	6.9
325.27518	1.1
327.29147	1.1
353.26855	1.3
355.15579	20.2
356.15955	2.5
371.15115	2.3
371.28058	6.3
394.10574	0.8
413.80029	0.8
467.29987	1.4
515.32367	100.0
516.32703	13.3
533.33435	23.1
534.33856	2.9
557.16797	2.2
575.21259	1.1
575.34570	5.3
576.34900	1.1
619.23969	6.5
619.32520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2573
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.74056	0.8
53.84741	1.0
61.98715	1.0
71.43628	1.2
73.62847	1.0
94.21973	0.9
101.60859	0.9
113.68783	0.9
120.65762	1.0
152.99527	1.0
303.37314	0.8
337.89600	1.1
353.63315	1.0
362.18927	1.0
401.14404	2.1
415.15701	4.2
416.16492	14.9
417.17276	2.1
429.17276	2.6
430.17825	3.1
431.18817	1.6
434.18060	1.4
444.15759	1.6
457.16742	1.0
459.18338	100.0
460.18735	14.8
473.19867	16.8
474.20752	7.1
501.19647	1.8
503.17422	2.8
517.18671	1.5
518.11841	1.7
518.19720	46.6
519.20313	6.7
532.21130	7.4
533.22052	84.0
534.22363	15.1
543.37427	1.0
544.21234	1.1
587.23102	7.2
588.23889	1.7
619.25763	98.2
620.25946	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	619.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.2
57.03334	0.4
59.01262	8.7
61.98706	1.0
65.63812	0.1
69.03336	0.2
71.01270	3.7
71.01665	0.2
71.04911	0.1
71.51921	0.1
72.99206	0.5
73.02831	1.9
75.00755	0.2
80.84549	0.2
81.03364	0.2
83.01285	0.8
85.02840	1.8
87.00777	0.5
88.98721	0.2
89.02344	1.3
89.03853	1.3
93.03350	0.3
95.01264	0.4
96.95918	0.5
97.02851	0.3
99.00787	0.8
99.04426	0.4
99.92485	0.6
101.02336	2.9
106.04146	0.3
107.04910	0.2
108.02084	0.5
109.02862	0.7
111.00745	0.2
113.02353	2.0
114.01885	0.3
114.93330	0.2
115.03912	0.1
116.92764	6.5
117.01924	0.3
117.03373	4.8
117.04199	0.3
117.92773	0.3
119.03439	0.3
119.04904	0.7
121.02877	0.4
123.04503	0.2
125.02372	1.2
129.01852	0.1
132.02113	2.5
133.02960	0.3
134.03659	77.0
135.03917	2.5
137.02359	0.7
139.03914	0.3
143.03401	0.3
149.02359	0.6
149.06017	6.6
150.06346	0.3
151.00293	0.5
152.01096	0.3
153.01936	0.2
160.01604	9.8
161.02141	0.6
161.04489	1.3
163.03900	0.2
164.04681	0.2
175.03955	12.2
176.04320	0.5
178.02696	1.2
179.03360	0.2
179.05408	0.2
179.07066	0.2
191.03476	0.2
193.05029	100.0
194.05370	4.9
194.52658	0.2
222.28700	0.1
223.06038	0.7
232.06328	0.2
251.16649	0.7
263.27579	0.2
269.04401	0.2
269.10410	1.0
271.06113	0.2
284.03497	0.2
295.59924	0.2
307.57947	0.1
311.11496	0.2
325.11002	0.2
341.13995	0.4
355.12158	0.2
383.13547	1.4
401.14499	0.5
421.16370	0.2
425.14557	0.2
441.12012	0.5
443.15686	1.2
456.13861	0.2
481.21204	0.2
488.60464	0.1
515.32294	0.4
575.33966	0.3
619.20337	4.3
619.33270	1.5
620.20972	0.7
620.29803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.6
61.98691	0.7
69.37244	3.7
71.01266	1.1
89.36806	0.5
93.03371	1.3
96.95943	0.7
98.20564	0.6
99.00758	1.8
101.02332	0.6
117.03351	2.5
119.04955	0.6
125.02349	0.5
147.04475	0.8
154.38957	0.6
161.02368	1.6
175.03990	2.5
177.01949	0.9
185.02386	0.6
189.01872	0.7
190.02687	0.7
191.03494	1.2
203.03493	2.1
215.03494	1.1
217.05083	1.0
219.03076	1.1
233.04446	0.8
235.07663	0.7
250.06235	0.6
251.07199	0.7
259.02429	1.4
260.03287	1.1
263.06790	0.6
265.05212	0.7
267.06540	1.0
276.43378	0.6
277.05252	0.6
278.06018	0.9
279.06537	1.4
280.03845	0.9
281.04462	1.1
283.06259	0.6
293.04617	0.9
294.05484	1.2
295.06210	4.1
296.06656	0.7
297.07690	1.6
307.06244	2.5
308.03317	1.0
309.04288	0.8
309.07678	1.5
319.05997	1.0
321.04080	1.6
322.04877	5.2
323.05630	4.5
323.64728	0.5
335.05798	4.2
336.06265	0.9
337.07156	2.3
347.05560	0.7
350.04236	0.8
351.05157	11.0
352.05402	1.2
363.05197	1.9
365.06613	1.9
367.04303	0.8
379.04340	0.8
380.05481	3.1
381.06155	5.2
382.06754	0.6
383.07748	0.7
393.06021	0.7
395.07642	0.8
409.05695	23.1
410.06146	3.1
412.04495	0.9
421.05893	1.8
424.78073	0.5
439.06827	15.6
440.07022	2.4
451.06689	1.2
469.08005	0.7
471.09402	4.3
472.09650	0.9
511.08682	0.9
529.10046	10.0
530.09692	1.2
541.09674	0.7
545.96710	0.5
601.12134	0.7
619.13153	100.0
620.13483	17.9
620.23895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
58.93040	0.5
59.01266	3.7
59.41141	0.6
61.62756	0.5
61.98717	1.6
63.02286	2.1
65.00204	11.3
66.00529	1.1
67.05466	0.5
69.17593	7.3
71.01262	2.2
73.02830	1.1
83.01283	7.4
84.01619	0.7
85.02854	0.8
87.00755	0.5
89.02332	2.0
93.03368	4.7
94.03725	1.1
95.01289	1.1
95.15556	0.6
99.00775	0.8
101.02341	2.2
107.01299	19.5
108.01625	2.2
113.02365	1.3
115.63694	0.5
117.03433	0.8
119.04942	27.9
120.05261	7.5
122.02433	1.0
125.02364	4.8
125.82049	0.7
126.02685	0.7
132.04492	1.0
133.02844	0.6
136.01608	1.2
137.02336	1.3
143.03471	1.1
146.03279	1.3
149.02400	1.0
151.00308	94.0
151.99406	1.0
152.00642	22.0
153.00757	2.6
158.06067	10.2
159.09209	0.6
160.04018	0.6
161.02403	1.4
161.05971	0.7
162.06398	0.6
163.00304	5.1
164.01154	1.2
165.01863	3.7
166.02176	1.0
167.03372	0.8
169.01385	2.2
170.01762	0.8
175.00339	2.5
176.00854	0.5
177.01909	8.5
178.02231	1.9
179.05560	0.7
184.04091	1.0
185.06091	1.6
187.03996	1.0
188.04405	0.8
190.01366	0.6
193.01395	2.4
196.00146	0.8
205.01395	0.9
227.07085	1.0
228.07527	0.6
229.05092	0.6
235.02547	2.0
236.02812	1.1
242.05710	0.8
254.20764	0.6
265.05109	0.7
268.03934	3.3
269.04602	17.7
270.05029	2.7
271.06186	56.7
272.06525	32.8
273.06827	3.3
274.06985	1.1
279.11407	0.7
281.04633	0.7
282.05411	2.3
283.06177	6.6
292.06134	0.7
309.06357	1.1
310.07294	7.3
313.07315	1.4
314.07599	1.7
339.07254	0.8
340.07538	0.7
433.11493	1.5
459.11548	9.4
460.11771	6.1
462.12415	0.8
498.12701	1.3
577.15869	4.1
578.16895	0.7
580.17633	100.0
581.17902	13.0
582.18164	12.8
583.18524	1.2
591.17737	1.0
600.17639	1.2
617.79553	0.8
618.18420	43.0
619.18579	7.2
619.27844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4072
Annotation	Momordicoside F2
Peak:m/z	Relative Intensity
54.54430	0.3
55.01757	1.4
57.03334	4.0
59.01263	2.2
61.98701	1.2
67.01779	0.6
68.99678	0.8
69.49927	1.4
69.50354	1.5
71.01270	4.1
72.83307	0.3
72.99206	2.2
73.02824	0.6
75.00760	28.2
76.01105	0.4
83.01266	1.8
84.02041	0.5
85.02837	22.7
87.00763	1.4
89.02271	0.4
95.01263	3.4
96.95924	0.8
97.02854	0.7
99.00777	1.8
101.02363	0.7
105.50757	0.4
106.37935	0.4
107.22601	0.3
111.00817	0.4
112.01566	0.8
113.02350	10.8
115.00262	0.6
116.01091	0.7
117.01836	0.9
129.01834	1.1
140.54381	0.3
157.01326	1.3
175.02391	1.0
183.66223	0.4
272.09164	0.4
599.39886	0.4
617.40680	100.0
618.41040	21.1
618.51532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11431	0.2
53.14653	0.2
59.01262	5.6
61.98721	0.9
63.12080	0.2
65.03855	1.1
67.01792	0.2
69.38708	0.9
69.39139	1.0
71.01267	1.3
73.02838	0.6
83.01286	0.3
84.78436	0.2
85.02822	0.4
88.98711	0.2
89.02367	0.5
90.73418	0.2
91.05418	2.9
93.03358	0.5
95.01281	0.3
96.95919	0.4
97.02857	0.5
98.19758	0.2
99.00819	0.3
101.02346	1.0
107.04955	0.5
108.02071	1.5
109.02860	17.4
110.03225	0.5
113.02354	0.5
119.04953	0.4
121.02873	5.5
123.04401	0.3
125.02372	1.2
133.02881	0.6
133.06511	0.5
135.04442	33.5
136.04788	1.4
137.06056	0.3
145.06523	0.4
147.04454	3.9
148.05049	0.2
149.02385	0.2
149.04388	0.2
149.06012	0.9
151.00294	0.2
159.04489	0.4
159.08189	0.3
161.02435	0.4
161.04608	0.4
161.06030	0.9
163.07663	0.3
171.10255	0.3
173.06029	1.2
174.06825	0.6
175.04128	0.3
175.07617	2.8
177.01892	0.5
185.05988	0.4
187.07593	1.8
188.07996	0.2
189.05547	0.5
189.09186	0.9
199.07597	0.6
201.09186	6.8
202.09520	0.6
211.07693	0.4
213.09175	2.1
214.09897	0.6
215.07127	0.2
247.13435	1.1
253.05135	0.5
253.12418	0.3
255.10190	0.4
255.13927	0.7
263.10864	0.3
264.11227	0.3
267.06656	0.3
273.12057	0.4
273.14978	3.2
279.13876	1.1
281.09045	0.3
281.11661	1.0
294.08878	0.3
295.13324	0.3
305.11850	1.7
307.10049	0.3
308.10754	0.4
323.12946	17.3
324.13293	1.5
325.59366	0.2
355.15582	0.5
377.17694	0.8
384.12802	0.2
395.18701	100.0
396.19046	12.2
397.13599	0.2
573.19775	0.3
617.22467	6.0
617.31873	0.4
618.22858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.2
59.01270	2.4
61.98722	0.3
69.03329	0.3
71.01268	1.3
73.02825	0.4
83.01284	0.3
85.02846	0.6
87.00769	0.4
89.02345	0.4
93.03372	0.3
98.19740	0.4
101.02340	0.6
102.19012	0.2
108.02104	0.3
109.02867	0.4
113.02352	0.5
121.02890	0.9
123.04357	0.3
125.02367	0.6
133.02927	0.6
135.04449	0.3
139.03934	0.2
147.04338	0.3
148.01559	0.3
149.02353	0.5
151.03900	0.2
161.02390	0.8
163.03973	0.4
171.10233	0.2
173.02408	0.3
189.05606	0.3
201.01851	0.3
202.02663	0.2
215.03616	0.2
229.84723	0.3
233.04497	0.2
251.07085	0.2
253.05109	0.4
254.05759	0.2
265.05029	0.3
267.06589	0.4
279.06775	0.4
282.05392	0.6
283.05969	0.3
293.04718	0.3
293.14130	0.6
294.05316	0.4
295.06204	0.8
296.06992	0.6
297.49261	0.2
307.06189	0.9
311.05643	0.4
312.06390	1.1
313.06992	0.3
314.04285	0.2
319.06143	0.4
321.07745	0.2
323.05768	1.1
323.12982	0.4
324.06464	0.6
325.07199	0.7
335.05670	0.8
335.09375	0.3
336.06342	0.2
337.07269	0.9
340.06070	0.3
341.06561	0.6
343.08105	0.4
344.05319	0.5
349.07043	0.3
352.09698	0.3
353.10458	0.6
355.08237	1.7
356.05289	0.4
358.07300	0.3
365.06659	0.4
367.08029	1.3
369.13687	0.3
377.10257	0.5
381.13504	2.4
386.06583	0.6
393.13565	6.8
394.14279	0.5
395.15100	0.5
407.15063	1.2
409.12769	1.6
411.14563	16.0
412.15048	1.9
413.12289	0.6
421.12915	1.3
422.13846	0.6
423.14600	2.8
424.15424	2.0
425.16135	5.7
426.16229	0.5
435.14523	3.1
436.15262	1.6
437.16092	1.0
439.14059	22.4
440.14560	3.9
441.15463	0.6
453.15659	18.5
454.16351	12.4
455.17099	4.8
487.43900	0.2
599.21777	0.9
617.22534	100.0
618.22900	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	617.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93116	0.4
52.97255	0.4
57.03324	0.4
59.01263	7.0
61.98701	1.0
67.82074	0.4
69.23642	0.6
69.24049	4.2
71.01263	2.9
72.63887	0.3
73.02848	1.0
75.00774	0.4
83.01303	0.4
83.04902	0.5
85.02843	0.9
89.02338	1.2
93.94493	0.4
96.95911	1.7
99.00763	0.5
101.02349	1.9
109.02855	0.9
113.02334	1.5
113.65624	0.5
113.66360	0.4
119.04943	0.6
125.02352	1.0
135.04442	1.9
151.00279	0.7
162.11644	0.4
171.10254	1.5
193.30307	0.4
196.87392	0.4
201.09216	0.5
209.11815	1.1
231.06589	0.4
244.19360	0.4
267.06638	0.5
271.06073	0.5
282.05380	0.9
295.06070	0.7
301.10953	0.6
307.06165	1.0
310.04800	0.6
311.58844	0.5
314.04227	0.6
323.05609	1.4
323.12994	1.2
324.06195	0.6
325.07193	0.5
328.06369	0.5
335.05725	0.9
335.09283	0.8
337.07214	1.6
337.10855	9.4
338.11279	1.1
349.10907	2.7
350.11642	0.7
351.12466	2.2
356.05414	0.6
363.12396	0.7
365.10464	4.2
366.10947	1.0
369.26376	0.5
375.12601	0.6
377.10397	1.0
379.11938	7.5
380.12665	4.3
381.13434	0.7
391.12009	1.8
393.13718	4.2
395.11282	0.8
395.18704	2.5
407.15292	0.9
409.12735	1.6
411.14609	7.9
412.15045	0.8
421.13028	1.8
425.16248	3.7
435.14624	1.5
436.15305	1.3
436.41681	0.4
437.16241	1.0
439.14056	16.9
440.14557	2.7
453.15656	10.6
454.16394	8.3
455.16925	2.8
513.30829	2.2
531.31866	1.0
543.18829	1.1
571.18561	2.6
572.18134	0.5
573.32660	0.9
599.21478	1.6
617.22559	100.0
618.22876	17.5
618.30994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04974	0.4
55.01780	0.4
57.03322	0.9
58.00481	0.7
59.01263	12.9
61.98723	2.2
65.00219	0.5
65.03845	1.7
67.01780	1.0
69.03337	1.5
71.01270	12.1
72.99211	0.8
73.02808	2.3
75.00751	1.2
79.26328	0.4
81.03356	1.0
83.01287	1.2
83.04930	0.5
85.02858	2.0
87.00772	0.6
89.02338	13.8
89.94596	0.4
91.05438	4.9
93.03349	1.7
95.01289	1.5
96.95922	0.7
97.02859	3.0
99.00793	3.1
101.02364	3.6
105.07024	0.6
108.02084	2.3
109.02863	19.1
113.02367	1.6
115.03943	1.6
118.68324	0.5
119.04927	1.1
121.02873	14.2
123.04462	0.6
125.02358	7.2
127.03960	0.4
131.03407	1.1
131.08549	0.7
133.02899	1.3
133.06541	1.0
134.03656	1.5
135.04446	54.3
136.04787	1.8
137.02448	0.6
143.03441	0.6
145.02892	0.7
145.06514	0.9
146.03711	0.6
147.04463	4.4
147.08081	2.9
149.02281	0.4
149.04498	1.8
149.05975	2.0
151.00330	1.0
153.02042	0.5
157.10179	0.5
159.04491	1.7
159.08180	0.6
160.05220	0.4
161.02415	0.6
161.04567	1.1
161.06017	2.5
161.07220	0.5
163.07597	0.6
169.06552	0.5
171.04494	1.9
171.10219	1.3
172.05299	1.0
173.06012	2.8
174.06770	0.9
175.03973	0.5
175.07607	8.0
177.01912	1.5
185.06087	3.0
186.06679	0.6
187.07626	11.0
188.08159	1.1
189.05649	0.7
189.09186	7.7
191.05585	0.9
197.06006	0.4
199.07632	2.1
201.09203	35.9
202.09512	2.0
209.11781	1.3
211.13387	0.7
213.09212	6.3
214.10011	2.2
215.07193	0.6
227.12996	0.4
228.04259	0.7
233.06644	4.3
235.09792	0.7
247.13541	0.5
253.05075	0.9
253.09439	0.6
253.12363	1.0
254.05989	0.9
255.13988	0.5
262.54370	0.5
265.04953	0.5
268.07227	0.5
271.06210	0.5
279.13791	0.5
281.12082	0.7
293.08850	6.6
293.13882	1.0
294.08990	0.5
297.93521	0.4
300.00433	0.4
305.11841	1.8
308.10587	1.2
323.12949	88.3
324.13248	7.7
395.18704	18.5
396.19144	1.5
455.16412	0.9
617.22510	100.0
618.22833	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	617.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.1
59.01265	37.9
59.66296	0.8
61.98716	3.0
71.01278	8.5
71.02950	1.6
72.99192	1.2
73.02843	2.7
83.01257	2.1
85.02840	3.2
86.75632	0.8
87.00775	1.1
88.98686	1.3
89.02333	5.6
91.05460	0.9
93.03326	0.9
96.95898	0.8
97.06481	1.0
99.00777	2.1
101.02335	4.9
107.04941	1.4
108.02077	1.2
109.02864	4.0
113.02368	4.8
113.06004	1.1
119.03395	1.2
119.04945	3.1
119.78180	0.8
121.02836	2.9
125.02364	2.0
125.05986	2.5
135.04437	11.1
137.06049	1.6
145.02768	0.9
147.04401	0.9
148.01578	4.5
149.02338	1.5
149.04500	1.5
151.00314	2.5
151.03969	1.1
161.02425	0.9
161.04550	1.6
165.05540	1.7
171.10172	4.2
177.01900	1.3
179.05551	1.4
209.11839	3.2
233.11739	1.0
241.04996	1.1
262.06390	1.0
269.04758	1.0
269.08121	1.1
271.06183	2.4
278.05759	1.1
287.09238	1.7
290.05911	3.3
291.06351	1.0
293.08640	1.1
293.13959	3.8
307.06030	2.0
318.05493	1.7
319.02594	1.1
319.05939	0.9
321.07626	2.0
323.09427	1.8
323.12808	1.2
334.04831	7.3
335.05521	2.7
336.06546	1.8
346.04822	1.9
348.06320	1.3
349.07156	8.1
349.10944	1.2
350.07639	1.6
351.08896	4.3
355.15585	15.0
356.15884	1.8
361.07239	3.0
364.05942	13.8
364.09860	1.6
365.06137	2.1
365.10312	1.5
367.11771	1.4
379.08270	27.6
380.09036	36.1
381.09549	4.0
394.10703	1.2
395.11417	100.0
396.11697	10.1
401.09000	2.5
419.27975	1.9
512.13538	1.0
513.30774	2.9
517.20874	3.3
542.14447	4.1
557.16797	40.9
558.17340	6.8
573.33820	1.5
579.17303	3.3
617.22473	15.5
617.33478	2.7
617.40662	3.4
618.22742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14355	0.5
50.30671	0.6
52.62482	0.7
55.01765	1.6
57.03327	2.9
58.00474	0.7
59.01264	28.9
60.99177	1.1
61.98719	7.5
66.94991	0.5
68.87035	0.6
69.03344	0.8
70.02845	0.6
71.00907	1.2
71.01276	21.7
71.26260	0.6
71.54500	0.8
72.01662	0.6
72.99191	2.6
73.02838	5.4
74.00103	0.6
75.00758	2.9
81.03336	1.0
83.01272	4.7
83.04904	0.8
85.02847	9.4
86.45134	0.7
87.00793	3.6
88.98714	6.4
89.02343	6.0
93.03345	1.3
94.03622	0.5
95.01279	2.9
96.95938	3.8
97.02844	0.7
99.00776	4.4
99.04407	1.8
101.02345	14.9
102.02669	1.0
103.03932	0.7
108.02108	1.3
109.02855	2.6
113.02355	8.4
114.01867	1.7
114.02623	0.7
115.03901	0.6
116.92757	0.8
117.03394	0.6
117.05499	0.9
119.03404	2.2
119.04930	3.1
120.08054	0.6
121.02858	1.4
123.04405	1.2
125.02381	3.1
127.03899	0.8
131.03455	1.3
131.07037	1.9
132.02092	1.8
133.02856	1.2
134.03687	1.3
135.04459	4.3
137.02371	1.9
139.03906	1.1
140.07074	0.8
143.03406	1.7
145.02925	1.4
145.05119	0.6
149.02376	1.6
149.05937	0.8
149.11386	0.6
151.00343	2.9
151.03957	1.4
152.01053	1.9
153.01862	0.8
159.02962	1.6
160.03990	1.9
161.02441	1.6
161.04463	4.9
161.08128	5.3
163.03918	0.8
165.05429	0.8
175.03934	1.3
179.05618	0.7
187.03975	0.8
201.05640	0.7
206.13412	0.6
207.10228	0.8
214.02838	1.0
221.06532	0.8
223.06148	1.5
232.06226	1.3
241.05157	0.8
246.07831	0.7
253.05106	0.9
259.05743	0.7
263.07272	1.2
269.04532	1.4
271.06119	1.8
277.14493	0.6
279.06647	0.7
281.04715	1.0
284.03360	1.2
295.06061	0.9
296.06836	1.5
306.05383	1.3
307.06125	9.0
308.06754	1.9
319.06281	5.8
319.09695	1.0
328.06229	0.8
335.09329	1.3
336.10037	2.8
337.07242	5.1
337.10828	0.9
339.12555	0.9
340.05829	0.8
347.09277	1.5
348.09995	1.5
349.10608	1.5
358.06854	0.7
364.09839	3.4
365.10410	1.2
366.11166	1.7
367.11755	1.6
376.09625	6.0
377.10220	2.5
394.10632	21.2
395.11368	18.2
396.11801	2.2
527.15436	1.3
529.17383	1.5
539.15662	3.8
544.29205	1.4
544.79205	1.2
557.16760	100.0
558.17126	15.8
573.33478	0.8
579.17096	1.9
616.81085	4.6
617.20508	3.5
617.32666	8.8
617.80737	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	615.231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03337	0.7
58.00484	0.6
59.01267	21.4
61.98710	4.2
69.03345	1.0
69.44871	1.4
69.45290	4.7
69.66016	0.7
71.01273	13.2
72.99193	1.6
73.02839	11.0
73.82017	0.6
75.00771	2.5
78.95785	1.1
83.01282	7.0
85.02856	3.0
87.00780	3.9
89.02339	4.3
95.01351	1.0
96.95918	3.8
97.02850	1.0
98.02345	0.6
98.19807	1.2
99.00772	5.8
100.01556	3.0
101.02351	10.2
108.02058	1.8
109.02859	0.8
111.00777	10.1
111.39980	0.6
113.02359	3.8
113.99503	46.1
115.00300	18.4
119.03445	1.8
119.04948	0.8
121.02900	0.8
123.04436	1.0
125.02376	2.7
128.01089	4.2
131.03352	0.9
133.02893	1.0
135.04459	0.9
137.02391	1.2
139.00331	3.2
143.03413	0.7
146.03665	2.1
149.02432	0.9
149.04456	1.7
150.03166	0.9
151.00290	1.9
151.03947	0.8
152.01039	3.1
153.01935	1.1
156.00592	48.7
157.01347	4.5
161.02251	0.6
161.04515	3.6
161.05861	1.2
163.03914	0.8
164.04720	1.9
165.01849	1.9
167.03362	0.7
174.01654	100.0
175.02316	6.7
179.07057	3.3
180.04126	0.7
190.02629	0.9
193.05031	0.9
195.06575	2.7
205.04984	1.1
221.06738	1.1
231.13814	0.9
253.05115	4.4
269.04553	3.0
285.04007	0.7
287.16632	6.1
322.77902	0.8
470.90900	0.6
471.22766	2.1
504.88800	0.6
509.24115	2.1
511.21954	12.7
512.22375	2.1
535.21820	1.1
539.21899	0.9
553.22778	1.7
571.23529	1.0
579.16803	1.0
615.23077	2.7
616.29626	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	615.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87607	0.3
57.03345	0.6
59.01265	5.9
61.98741	1.3
65.22103	0.4
71.01273	6.1
71.59719	0.6
72.99217	0.9
73.02834	3.7
83.01288	1.1
83.04906	0.4
85.02841	2.8
87.00793	0.6
89.02360	1.4
93.03400	0.4
95.01291	1.0
96.95914	5.2
96.96413	0.4
97.02863	0.6
99.00797	1.5
101.02354	5.1
107.05019	0.4
109.02901	0.5
113.02375	3.6
119.01342	0.8
121.02896	0.6
125.02388	1.6
130.04184	2.0
132.05733	27.6
133.02875	1.1
133.06113	1.2
134.03694	0.7
135.04485	0.6
137.02400	0.4
140.75529	0.4
143.03447	0.5
148.01675	0.6
151.00352	0.6
158.03677	4.2
159.02898	0.4
161.02414	0.6
161.04459	2.1
162.03198	1.3
164.04738	24.9
165.05202	1.3
171.08105	0.5
171.10260	1.1
177.01962	0.5
185.09702	1.2
187.11259	43.1
188.11584	2.7
190.02707	1.8
198.06918	0.5
207.10339	0.8
213.09198	26.1
214.09543	2.2
215.03404	0.7
228.46303	0.4
231.10277	100.0
232.10596	6.3
241.05099	0.4
261.07660	0.6
269.10291	1.5
281.04739	0.5
282.05359	1.1
294.05270	0.5
295.06259	0.7
296.06967	0.6
307.06113	0.8
312.06281	0.5
319.05933	0.6
323.05728	1.5
335.05658	1.0
337.07074	1.6
337.10828	5.1
338.11295	0.5
349.06995	0.6
349.10846	9.0
350.11243	2.0
351.12543	0.8
352.09387	1.0
353.06516	0.8
355.08170	1.1
363.12338	1.7
364.12943	0.5
365.06348	0.6
365.10361	1.8
366.11060	1.0
367.08447	1.4
367.11966	21.0
368.12238	2.6
377.10367	1.6
378.11145	0.9
379.11935	4.2
380.12854	2.3
381.13492	6.8
382.13794	0.9
383.13388	1.5
391.11954	5.4
392.12515	1.7
393.13385	1.6
395.11417	27.3
396.11911	4.9
397.12585	1.2
401.14688	1.9
409.13007	20.1
410.13687	12.2
411.14523	4.7
412.14935	0.6
423.14548	0.6
435.14304	0.7
439.13400	0.6
453.15594	3.0
555.18646	0.7
597.20044	0.7
615.20850	96.2
616.21155	17.6
616.35687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.0
59.01265	13.5
61.98727	4.8
71.01269	7.4
71.51624	0.8
72.99184	0.9
73.02825	2.3
75.00766	0.8
81.38139	0.6
81.72849	0.6
83.01281	2.6
83.04927	1.0
85.02859	3.8
85.25732	0.7
87.00768	1.7
87.14159	0.6
88.98660	0.7
89.02328	4.1
93.03359	0.9
96.95910	12.5
99.00777	1.6
99.04419	0.8
101.02348	4.7
108.02055	0.9
109.02885	1.6
112.66835	0.7
113.02365	4.0
119.03448	1.4
119.04921	1.5
120.01216	0.8
121.02859	1.4
123.04424	1.1
125.02369	1.5
133.02873	1.3
135.04468	1.7
137.02359	0.9
139.03912	0.9
145.02896	1.1
150.03093	0.7
151.00296	1.8
151.03981	0.7
152.01073	1.6
161.02365	0.9
161.06030	0.7
165.05537	1.2
179.05595	1.3
201.08708	0.6
213.01938	1.3
231.06647	0.7
248.84810	0.7
253.05206	0.7
268.03748	0.7
271.06165	1.2
281.04623	1.2
293.04694	1.1
295.06171	2.9
296.06689	0.7
297.07901	3.1
307.06140	1.5
309.04105	1.5
309.07867	0.6
310.04764	0.9
312.36057	0.8
314.04425	0.7
319.09802	0.7
322.04819	1.1
323.05496	1.4
328.06076	1.3
335.05591	1.2
337.07172	2.7
337.10849	4.9
338.11246	1.2
347.09097	0.8
348.10242	0.7
349.10815	1.1
351.12509	1.7
356.05609	0.9
364.09375	0.9
365.10406	4.0
366.10907	1.3
367.12222	1.3
378.10895	0.6
379.11996	5.2
380.12738	3.1
381.09485	0.9
382.10352	0.7
391.12091	3.2
398.10370	1.2
409.12994	5.2
419.11237	1.0
423.14505	2.6
433.12869	0.9
434.13611	0.9
435.14545	3.6
436.14948	1.0
437.12302	9.4
438.13068	1.8
451.14093	5.9
452.14807	5.7
453.15576	5.1
579.17200	0.8
597.16943	1.0
615.20947	100.0
615.34839	5.5
616.21198	16.7
616.29822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.3
57.03335	6.4
59.01264	5.9
61.98721	2.8
63.91962	0.3
65.00198	0.4
69.03323	0.4
71.01269	4.7
71.54301	0.3
72.99196	0.6
73.02837	1.3
75.55402	0.4
81.03349	0.3
83.01263	1.0
85.02872	1.8
87.00765	0.5
89.02336	1.1
93.03345	0.7
95.01287	0.5
96.95905	4.4
99.00775	1.6
99.04423	2.7
101.02335	3.5
107.01324	0.5
108.02066	0.4
109.02879	1.1
113.02351	1.7
115.00317	0.5
116.92746	0.4
119.03391	0.5
119.04929	1.3
121.02846	0.8
122.77528	0.3
123.04412	0.4
125.02340	1.6
133.02885	0.7
134.03691	0.6
135.04440	0.9
147.04344	0.4
148.01591	4.3
149.02368	1.7
150.03160	0.6
151.00275	2.3
151.03889	0.3
161.02414	0.6
163.03986	0.7
165.05479	0.6
174.03180	2.7
175.03856	0.7
177.01906	1.1
183.13861	0.4
201.01834	1.7
202.02675	6.2
203.03410	1.7
211.07599	0.5
215.07091	3.2
223.07664	0.5
224.04689	0.5
225.05602	0.6
227.07178	0.6
228.08018	0.6
237.05508	0.5
239.07124	1.9
241.05017	0.7
246.83032	0.4
251.07098	0.4
253.05070	0.8
255.06647	2.2
255.10144	0.6
256.07269	0.4
265.05084	1.2
266.05917	1.6
267.06732	2.0
268.03842	0.9
268.07407	0.5
269.04599	1.0
271.06256	1.7
273.11343	1.6
281.04578	0.5
282.05380	1.0
283.06140	3.9
284.06821	0.6
285.04468	0.4
291.12445	1.1
293.04559	0.7
294.05331	0.6
295.02728	0.5
295.06085	0.8
296.03293	0.8
297.03922	0.9
309.04105	1.1
310.04868	6.6
311.05658	18.1
312.06442	26.0
313.07086	3.3
319.09653	0.4
323.05688	0.5
325.07266	0.9
335.09424	0.6
337.10785	0.8
342.03854	0.7
344.05338	0.5
345.72318	0.4
347.09351	0.6
353.10278	0.8
361.10779	0.5
363.08774	1.6
364.09583	3.9
365.10153	1.7
366.11057	0.5
367.12146	0.5
379.11917	0.9
381.09851	22.8
382.10550	11.9
383.11166	1.4
389.22784	1.8
389.72913	0.4
395.11371	0.9
414.09689	1.1
434.13583	1.5
435.14365	0.6
437.12451	0.6
451.13867	0.4
452.14856	10.5
453.15369	3.8
454.15714	0.5
462.25610	3.7
462.75748	1.6
545.17053	0.6
576.14655	0.7
576.42065	0.4
579.17206	2.9
580.17120	0.5
614.39801	0.8
615.20947	100.0
616.21289	16.2
616.29700	0.7
617.40576	0.9
618.41559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.4
59.01263	4.5
61.98712	1.7
63.11998	0.3
71.01264	2.6
71.52409	0.5
72.99212	0.5
73.02837	0.7
83.01289	0.6
85.02850	1.0
87.00766	0.4
88.66870	0.3
89.02361	0.7
93.03329	0.7
95.01286	0.6
95.04888	0.4
96.95918	3.4
96.96844	0.5
97.02840	0.4
98.09723	0.3
99.00779	0.5
100.04266	0.3
101.02315	1.1
109.02866	1.5
113.02349	0.7
121.02869	1.1
123.04415	0.5
125.02330	1.0
133.02849	1.8
135.04459	2.5
137.02333	0.5
147.04408	0.4
148.01602	0.5
149.02371	1.2
150.03104	0.4
151.00298	0.9
151.03963	0.7
159.84837	0.3
161.02370	1.2
165.05547	0.4
165.09109	0.3
171.10245	1.4
187.07573	0.5
193.08595	0.4
199.07535	0.4
201.01877	0.5
207.10201	0.6
214.30692	0.3
215.03506	0.6
215.07104	1.0
225.01923	0.4
225.05522	0.5
225.11397	0.5
239.63829	0.3
241.05092	0.8
243.06667	3.9
244.07056	0.3
253.05135	0.6
265.05063	0.5
267.06586	0.4
269.04568	0.4
269.08197	1.4
271.06067	0.6
278.05887	0.7
281.07968	0.4
283.06555	0.5
283.09720	2.6
285.04147	0.4
285.07483	0.4
289.08716	0.4
293.04550	0.5
297.04025	0.5
301.10965	0.9
306.05499	0.4
309.04019	1.3
309.11600	0.4
311.05551	0.4
321.04102	0.4
321.11285	0.6
323.05624	1.2
333.04004	0.5
333.11304	0.5
334.04581	0.4
349.06921	0.3
349.10873	4.6
352.09595	1.7
355.11942	0.4
364.09177	0.3
365.10394	0.8
366.10950	0.8
367.11813	1.4
367.15884	0.6
376.09601	0.4
377.10385	25.2
378.10660	2.8
394.10754	0.6
395.11420	4.6
396.11542	0.4
407.14905	0.4
417.13419	1.6
435.14542	10.6
436.14819	1.5
452.14542	0.4
452.34799	0.4
453.15628	100.0
454.15945	12.0
529.17145	0.6
557.16736	0.8
571.18597	0.5
597.35889	0.5
615.21124	6.1
615.37592	1.5
616.21112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77391	0.2
59.01258	1.3
61.98702	0.4
68.79909	0.2
71.01260	0.3
71.23601	0.3
77.85055	0.2
81.28484	0.2
85.02837	0.4
86.25814	0.2
93.03353	0.3
96.95906	0.7
101.02332	0.3
109.02872	0.4
109.06530	0.4
113.02294	0.3
119.01269	0.4
119.03417	0.2
119.04906	0.2
121.02870	0.4
125.02386	0.3
128.90115	0.2
133.02879	0.8
135.04405	0.3
148.01620	1.8
149.02377	0.3
149.05878	0.2
151.00407	0.3
154.54358	0.2
161.05968	0.4
171.10208	0.8
173.02318	0.4
173.05971	0.2
175.03943	0.4
175.07600	0.2
179.07072	0.8
187.07581	0.5
189.09151	0.3
195.85295	0.2
201.01875	0.4
201.09236	0.5
207.10315	0.6
215.03442	0.6
215.07153	0.3
224.04855	0.2
225.05557	0.3
227.03525	0.3
238.06448	0.4
239.07162	0.3
245.08263	0.4
247.09808	0.3
251.07294	0.3
252.04102	0.2
254.05782	0.4
261.07687	0.4
263.07138	0.3
265.05075	0.5
267.06680	0.5
269.04556	0.3
279.06647	0.8
281.04642	0.5
282.05319	0.8
283.06058	0.2
291.06699	0.3
293.04666	0.5
294.05438	0.5
295.06122	0.8
297.04028	0.3
297.07669	0.4
297.48785	0.2
299.05649	0.5
305.08215	0.3
307.06271	1.2
307.09341	0.3
308.06900	0.3
309.04169	0.6
309.07693	0.3
309.11298	0.4
311.05814	0.5
312.06509	0.4
314.04352	0.3
319.06085	0.6
321.11316	0.6
322.04874	0.4
323.05646	2.0
323.09283	0.6
323.12766	0.4
324.06558	0.3
325.07321	0.8
328.05957	0.2
330.46872	0.2
335.05777	1.9
337.07172	1.8
337.10913	4.5
338.11115	0.5
339.12399	0.7
340.06006	0.9
341.06650	0.6
344.05450	0.6
349.07260	0.7
349.10864	10.6
350.11392	1.3
351.08685	0.8
351.12442	1.2
353.06650	1.3
353.10474	0.4
354.07019	0.3
355.08292	1.2
356.05472	0.3
362.11456	0.3
363.12418	2.3
364.12988	0.4
365.06683	0.3
365.10382	1.8
366.11047	0.7
367.08307	1.5
367.11917	19.4
367.15543	1.4
368.05139	0.3
368.12277	1.9
375.12085	0.2
377.10388	2.6
378.11069	1.3
379.07458	0.4
379.11954	4.8
379.16733	0.2
380.12595	2.7
381.09979	0.4
381.13550	6.7
382.13873	0.8
386.06525	0.3
391.11987	5.3
392.12576	1.9
393.13458	1.0
394.14157	0.3
395.11411	28.4
396.12131	21.9
397.12668	3.3
409.12976	21.5
410.13702	11.7
410.18091	0.2
411.14545	34.7
412.14944	3.7
425.12466	0.4
453.15533	0.4
483.29517	0.3
585.19818	0.3
597.20068	1.0
598.19861	0.3
615.20941	100.0
616.21277	16.0
616.31580	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52821	0.2
50.99097	0.1
51.24850	0.1
57.03328	0.2
57.10251	0.1
59.01265	5.6
60.46984	0.2
61.20037	0.1
61.98716	0.3
71.01265	0.8
73.02829	0.3
74.16800	0.1
83.01307	0.3
85.02848	0.4
94.93510	0.1
101.02334	0.5
106.61883	0.1
107.04936	0.3
113.02374	0.4
115.01427	0.1
123.04446	0.3
124.69794	0.1
135.04431	4.6
149.06029	0.3
151.03937	0.2
161.02368	0.2
163.03958	54.2
164.04648	3.6
165.05182	0.2
167.14407	0.3
177.05548	0.2
178.06313	59.4
179.03468	0.6
179.06989	5.7
180.07396	0.3
193.08678	100.0
194.05957	0.8
194.09004	5.1
209.08189	4.0
210.08492	0.2
211.13475	0.2
229.14485	0.9
229.22661	0.2
334.08615	0.2
349.10767	0.4
391.11716	0.5
403.17697	4.3
404.18039	0.4
409.13242	0.2
451.93048	0.2
553.17126	0.7
613.18646	0.7
613.29498	0.2
613.40063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72531	0.5
55.01769	1.4
57.03338	2.6
58.00481	2.4
59.01264	100.0
60.01589	1.0
61.98714	2.5
62.91700	0.6
68.99702	0.7
69.03335	2.3
71.01268	76.8
72.01609	1.2
72.99198	3.5
73.02834	77.3
74.03168	1.0
75.00768	1.6
79.05443	0.6
83.01274	25.8
85.02842	14.0
87.00768	6.7
87.59779	0.5
89.02336	11.9
93.03370	1.4
95.01286	4.1
96.95938	2.8
97.02869	1.6
99.00760	3.3
99.85612	0.6
101.02345	59.8
102.02699	1.1
107.04932	1.6
107.77991	0.6
108.02084	0.9
109.02856	1.4
111.00774	0.7
113.02354	21.4
119.03423	5.1
119.04815	0.6
121.02887	1.4
123.04395	0.8
125.02379	5.2
131.03452	4.1
133.02861	1.4
135.04424	4.2
137.02397	1.3
143.03455	5.4
148.01598	2.6
148.05215	0.8
149.02385	1.8
149.04497	2.6
150.03125	1.0
153.01906	0.7
155.03424	2.0
157.16411	0.6
161.02383	1.5
161.04503	7.8
163.03954	31.1
164.04703	2.8
174.03122	1.0
175.02426	0.9
175.03917	1.1
175.07570	0.7
177.01878	0.9
178.06310	34.8
179.03456	1.0
179.06972	3.2
187.07550	0.8
189.05492	1.7
193.08673	57.0
194.05818	0.8
194.09013	1.9
199.07538	0.7
201.05566	1.1
203.05550	0.8
209.08124	2.1
209.11823	0.8
213.05537	1.5
217.08707	3.0
221.06642	1.3
225.70467	0.6
229.70367	0.7
243.06592	5.3
267.06628	1.6
268.07056	0.6
269.04578	1.7
281.04385	0.6
303.10254	1.2
305.08188	0.7
307.06555	0.8
317.08209	1.1
319.09769	1.5
331.09671	1.5
332.10474	0.9
335.05603	0.9
335.09079	0.9
345.07898	0.7
346.08743	0.7
347.09262	3.3
348.10046	1.0
349.10483	1.0
351.08578	1.0
359.09079	1.3
360.10321	0.8
363.08478	1.2
365.10324	1.6
366.07236	0.7
375.08765	3.1
376.09573	34.2
377.09900	4.8
377.13864	1.5
379.12314	0.7
381.13666	0.9
391.11945	82.8
392.12299	8.3
393.09476	1.7
393.13470	2.7
394.10193	1.7
403.17618	2.6
407.10532	1.1
407.15732	3.0
408.12018	0.7
409.12811	6.9
409.17416	0.7
410.13290	0.8
411.14615	4.1
421.15268	4.2
433.13037	1.8
435.14621	4.1
449.16037	1.8
450.16656	1.6
451.13940	2.6
525.17847	0.8
543.18671	1.4
553.17261	72.1
554.17572	11.8
571.18365	15.1
572.18396	1.6
585.19897	10.6
586.19739	1.6
613.19257	62.8
613.39038	2.6
614.19604	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	613.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37252	0.2
59.01026	0.3
59.01351	1.1
61.98491	0.2
61.98787	0.4
65.00293	0.1
66.38754	0.2
68.99808	0.2
69.38982	1.6
71.01376	0.6
73.02907	0.3
78.04018	0.2
83.01357	0.2
85.02933	0.4
89.02443	0.3
91.05579	0.2
93.03477	0.5
101.02421	0.4
104.37606	0.2
107.04430	0.2
107.05093	0.6
108.02186	0.3
109.03002	1.1
111.43994	0.2
117.46863	0.2
119.01418	0.2
119.05046	0.3
120.69281	0.2
121.03022	1.2
123.04578	0.7
125.02528	0.5
133.02873	2.3
134.03711	0.2
135.04410	0.8
137.02483	0.4
139.04025	0.4
139.75804	0.2
147.00928	0.3
147.04597	0.3
148.01595	1.1
149.02359	1.6
150.03171	1.4
151.00447	0.2
151.04083	0.6
152.01190	0.2
157.06749	0.2
161.02522	0.5
169.06686	0.4
171.08186	0.2
173.06097	0.4
175.02654	0.3
175.04121	0.5
177.01894	0.8
181.06645	0.3
185.06146	0.4
187.07729	0.4
189.05646	0.3
189.09384	0.2
197.06215	0.5
199.03993	0.4
199.07700	0.4
201.01987	0.3
201.05658	0.4
203.07353	0.2
209.06210	0.3
211.04097	0.2
211.07753	0.3
213.05733	0.7
214.06184	0.2
215.03752	0.4
215.07114	1.6
217.05354	0.2
223.04321	0.2
225.05551	1.0
226.02695	0.2
227.03706	0.3
227.07224	0.4
228.04381	0.2
229.05223	0.3
232.30284	0.2
237.05801	0.5
237.09302	0.2
238.04037	0.2
238.06508	0.6
239.07149	1.6
240.04553	0.2
240.07912	0.4
241.05058	1.9
241.08936	0.4
241.87256	0.2
242.05858	0.4
243.06734	0.3
249.05751	0.3
253.05258	0.7
255.06569	1.1
255.10263	1.5
256.07355	1.0
257.08243	0.3
259.06302	0.2
261.09232	0.3
263.07373	0.2
265.05310	0.4
266.05893	0.3
267.06714	1.8
268.07346	0.3
269.04666	0.4
271.06305	0.2
275.07639	0.3
275.10654	0.4
277.08838	0.4
281.04764	1.0
281.08261	0.3
282.05350	0.4
283.06207	0.5
284.07117	0.3
285.04004	0.2
287.07196	0.2
288.08194	0.3
289.08838	0.5
290.09412	0.3
291.06897	0.4
291.10519	0.5
292.03992	0.2
293.04623	0.3
293.08136	0.2
301.08893	0.5
302.09604	0.2
303.06931	0.3
303.10382	0.7
305.04715	0.3
305.07968	1.0
306.05533	0.2
306.08890	0.4
307.06116	0.2
307.09756	0.3
309.04230	0.7
310.04858	0.4
317.08328	0.6
318.08887	0.4
319.02808	0.2
319.06244	0.5
319.09985	1.1
321.04187	0.4
321.07745	0.4
322.04868	0.4
322.08371	0.2
323.09323	0.3
329.08276	0.7
331.06207	0.3
331.09958	0.5
332.07037	0.9
333.07660	0.9
334.08649	0.4
335.05829	0.3
335.09308	1.0
336.06479	0.3
336.10248	0.2
337.03546	0.4
337.11002	0.7
338.04575	0.8
345.07779	0.4
346.08594	0.9
347.09268	6.7
348.09683	0.8
349.07251	0.9
349.11038	0.5
350.04123	0.3
350.07999	2.4
351.08762	2.4
352.08841	0.3
357.08145	0.2
358.08652	0.3
361.07446	0.7
362.08109	0.6
363.08972	1.1
364.09622	0.5
365.10330	3.5
366.10922	0.3
373.07144	0.4
374.07870	0.4
375.08792	13.7
376.09241	2.2
377.10434	0.9
378.07452	0.2
379.08328	2.6
380.08807	0.4
389.10309	0.3
390.07449	4.4
390.11942	0.3
391.08032	0.6
393.09860	15.2
394.10278	2.0
405.13525	1.2
409.12808	0.4
415.11920	0.3
418.10672	8.2
419.11060	0.9
433.12970	9.9
434.13232	1.5
451.14050	100.0
452.14401	15.1
613.19269	6.0
613.40131	1.8
614.19458	1.4
614.39941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.8
61.98724	1.4
65.03882	0.4
67.41218	0.3
69.03365	0.5
71.01263	3.2
71.56110	0.5
71.56525	0.4
73.02847	2.3
79.05447	0.8
79.61235	0.3
83.01301	0.8
85.02862	1.1
87.00761	0.4
89.02356	0.6
93.03358	0.7
94.94816	0.3
95.01289	0.4
96.95914	5.2
96.96501	0.4
99.00790	0.4
101.02361	2.2
103.05437	0.4
106.68239	0.3
107.04947	1.6
108.02116	0.7
109.02898	1.4
113.02357	0.8
119.01286	1.6
121.02905	1.4
122.03667	0.4
123.04475	0.9
125.02393	1.5
131.03455	0.4
131.04956	0.6
132.02132	0.7
133.02866	2.3
134.03755	0.5
135.04512	1.2
137.02414	0.6
145.02922	1.0
147.00812	3.1
148.01558	1.3
149.02368	1.1
150.03226	0.5
151.00342	0.7
153.05568	0.4
155.08562	0.4
161.02379	1.1
161.04561	0.5
162.03180	1.2
163.03958	0.6
165.05542	0.4
166.13208	0.4
171.08121	0.4
171.10190	0.5
175.02525	0.4
175.03966	0.5
175.07603	0.6
183.13910	1.0
183.17366	0.3
184.14243	0.8
185.06047	0.7
187.03952	0.8
187.07693	0.8
189.01997	0.3
197.06137	0.5
199.07626	0.9
201.05568	1.0
202.06270	0.8
203.07089	0.8
208.09804	0.3
209.06151	0.4
211.07617	0.6
213.05528	1.0
214.06204	0.6
215.03600	0.4
215.07153	1.2
217.08681	1.9
223.07721	0.5
227.03419	0.4
227.07161	0.8
227.12860	0.5
229.05035	1.3
230.05823	0.5
231.06532	0.8
239.07132	1.0
241.05122	1.2
242.05743	0.4
243.06569	0.8
245.08189	0.8
247.07759	0.5
247.11369	0.4
249.09286	0.4
253.05278	0.5
255.06685	1.8
256.07425	1.1
257.04578	0.7
259.06158	0.5
260.06973	0.7
265.05133	0.4
267.06754	0.8
268.07672	0.5
270.05258	0.4
273.09311	0.5
274.09924	0.5
275.07071	0.5
275.10773	0.5
276.07611	0.4
277.08691	1.1
279.06891	0.5
279.10239	0.6
285.04248	0.7
286.08536	0.5
289.08722	0.7
290.09393	0.8
291.06931	0.6
291.10388	1.3
292.10904	0.5
293.08295	0.6
296.07016	0.4
301.08707	0.4
303.06931	0.7
303.10391	0.9
304.07397	0.5
304.10837	0.7
305.04785	0.5
305.08286	1.1
305.11774	0.5
307.06454	0.7
307.09811	1.4
317.08148	1.5
318.08798	0.8
319.06427	0.7
319.09784	2.8
320.10541	0.8
321.07623	1.2
321.11334	1.3
323.05673	1.8
329.08209	1.1
331.09906	1.4
333.07645	0.7
333.11429	0.4
334.08401	0.7
334.12109	0.5
335.05731	0.8
335.09274	6.5
335.12387	0.3
336.09888	1.1
337.07266	0.7
337.10944	1.8
343.09814	0.6
345.07721	0.9
347.05704	0.6
347.09299	12.4
348.09918	2.2
349.06949	0.9
349.10822	5.0
350.11584	1.1
351.05106	0.5
353.06683	0.7
359.09512	1.8
360.10144	2.6
361.10910	3.0
363.08887	4.4
364.09503	1.5
364.13522	0.7
365.10367	21.9
366.07047	0.5
366.11047	4.7
371.09387	0.8
375.08868	2.1
376.09476	1.7
377.10333	4.0
378.11139	5.8
379.07407	0.6
379.11957	7.7
380.12610	1.6
389.10425	4.8
390.11185	2.4
391.11981	2.4
391.19272	2.0
393.09891	29.7
394.10590	21.3
395.11301	2.6
401.14548	0.5
402.14932	0.4
407.11447	14.8
408.12167	8.9
409.12988	70.5
410.13403	7.0
451.13794	3.3
452.14780	0.5
553.17285	3.8
583.18866	0.4
585.19824	0.6
595.18152	1.0
613.19348	100.0
614.19696	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	613.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	31.0
59.01721	2.4
61.98716	16.7
62.06017	2.4
64.28246	2.5
66.86317	2.6
68.75474	3.1
68.99675	5.8
69.03354	4.1
69.51412	21.4
71.01269	20.7
72.99188	5.1
73.02822	12.0
75.00771	6.3
79.01787	3.7
81.03331	10.9
83.01279	19.6
85.02843	13.3
87.00743	10.4
89.02334	10.5
91.05373	3.6
93.03339	10.9
95.01260	8.9
95.04904	6.7
97.02849	15.1
99.00757	8.5
99.04385	5.1
101.02344	15.5
103.03950	3.8
105.03333	3.0
107.01278	6.2
107.04951	5.5
108.02077	11.1
109.02889	23.0
111.00786	16.0
111.04414	8.3
111.68249	2.6
113.02336	6.9
117.03352	8.0
119.04935	8.0
121.02890	15.9
123.00771	8.9
123.04431	26.3
125.02363	38.5
127.04822	2.5
131.03387	6.3
131.04918	3.8
133.02875	9.8
134.61092	2.7
135.00885	2.8
135.04475	14.3
137.02365	25.1
139.00294	4.0
139.03941	14.6
139.19092	3.0
141.01949	3.6
143.03410	4.8
147.04427	7.2
149.02393	13.8
149.06046	2.5
150.03090	4.7
151.00325	13.3
151.03952	21.5
152.01059	8.7
152.04498	3.1
153.01859	29.2
153.05453	7.6
159.04393	3.0
161.02325	6.1
162.82149	2.7
163.00311	8.2
163.04004	17.2
163.06039	10.0
165.01910	15.9
165.05470	4.7
166.02644	5.0
167.03436	33.6
175.03940	9.2
176.01093	3.6
177.01886	23.2
177.05562	6.4
178.02600	5.3
178.99637	2.9
179.03450	29.2
180.04179	10.8
181.01372	4.1
181.04988	5.3
183.02901	4.2
183.92313	2.7
187.04027	3.8
189.01871	8.5
190.02606	3.8
191.03484	28.7
192.00575	3.4
193.01422	20.2
193.04962	6.2
194.02144	4.5
195.02972	22.5
195.06479	2.9
197.04546	17.7
203.03400	10.0
205.01421	13.3
205.05008	7.0
205.07176	8.2
206.01872	2.7
207.02948	28.1
208.03528	4.8
209.02722	4.6
209.04555	55.5
210.04951	4.5
217.01431	5.2
217.05025	5.5
219.03001	34.1
220.03589	3.8
221.00902	11.2
221.04526	10.6
223.02483	20.6
225.03989	11.1
225.11237	11.5
229.45615	3.1
231.02930	4.7
233.04395	3.8
235.02524	31.4
237.04095	13.0
239.05548	22.9
245.04453	6.0
247.02432	12.2
249.04068	18.8
251.02002	8.0
253.03455	8.1
255.06944	4.2
261.03992	6.1
263.01932	5.7
265.03625	16.5
267.05066	7.8
269.04547	6.2
273.06277	4.0
277.03522	8.4
279.05130	8.7
281.06656	2.8
283.06268	6.8
285.03836	3.6
285.07245	2.5
287.05618	4.6
287.16599	3.0
291.04996	5.1
293.02988	4.3
295.04437	7.3
297.07437	10.7
298.04742	3.5
299.07928	5.8
301.07037	4.1
303.07346	4.5
307.04514	3.4
309.06345	5.9
311.05566	8.3
312.06216	5.2
315.07574	6.8
323.05453	4.8
325.06741	6.0
327.04791	4.7
337.05853	9.3
339.04840	6.5
341.06812	16.4
345.06287	3.6
353.06912	16.6
354.06720	5.3
355.07028	5.2
356.07352	3.6
357.06454	5.0
359.07721	2.9
367.04477	4.0
369.06183	8.6
371.07361	6.6
383.07007	10.4
385.05481	19.6
387.07190	6.6
388.95642	2.9
397.06729	3.5
399.07294	8.0
401.08426	3.3
403.06638	7.7
415.06693	12.6
417.08337	5.5
419.12204	14.5
429.08658	5.2
431.09552	3.7
433.07416	5.9
435.09064	3.7
443.09897	16.6
445.08212	5.3
446.10086	2.8
447.09988	4.0
449.11069	3.5
457.10007	42.6
458.09772	5.2
459.09033	11.9
461.10568	6.1
463.08667	10.0
473.10553	10.1
475.09067	32.4
476.11124	25.4
477.10602	9.6
487.09412	3.2
489.10342	9.0
493.10043	21.0
505.09900	24.4
506.10513	10.0
517.09644	3.5
523.10754	13.0
535.10669	3.2
539.14026	8.0
563.14215	81.4
564.14355	11.0
567.13525	7.9
577.11987	4.0
578.12988	8.1
579.13507	37.6
580.14258	6.8
595.13062	15.8
596.13928	25.8
597.14124	5.1
613.14087	100.0
613.29956	15.5
614.14532	17.9
614.23267	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	613.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.8
61.98693	3.6
69.46449	26.4
71.01277	7.6
72.53727	4.4
73.02870	4.1
81.03340	7.7
83.01289	12.2
85.02831	6.2
87.00789	4.2
93.03366	13.3
95.01280	10.0
95.04921	5.3
97.02843	13.4
98.19779	4.4
99.00773	5.6
101.02321	3.8
107.01263	4.5
107.04903	3.8
108.02061	9.3
109.02857	14.3
111.00787	8.1
111.04429	6.5
117.03384	5.3
119.04878	5.0
121.02857	12.6
121.06495	3.8
123.00812	5.3
123.04457	22.4
125.02373	34.9
133.02873	6.8
135.04413	7.9
137.02357	24.3
139.03928	12.6
145.02809	4.5
147.04523	5.1
149.02342	19.2
150.02975	3.8
151.00343	5.9
151.03914	14.4
152.01071	8.1
153.01874	33.3
159.04414	5.6
159.68184	3.4
161.02403	9.2
163.00362	8.2
163.03944	10.3
165.01903	18.8
165.05562	6.5
166.02689	6.8
167.03448	31.7
175.03899	9.6
177.01917	19.7
177.05534	4.6
179.03503	23.0
180.04150	7.1
181.01370	6.9
183.02960	6.2
189.01917	7.1
189.05440	4.1
191.03458	22.6
193.01331	19.8
193.05101	9.5
195.02974	21.1
197.04538	9.3
205.01416	12.8
207.02951	23.5
209.02719	8.0
209.04521	62.5
215.59085	3.8
219.02992	48.0
221.00943	9.6
221.04471	5.2
223.02477	17.0
225.04073	7.0
233.00768	5.6
235.02560	29.8
236.03186	6.4
237.04066	11.8
239.05598	19.6
247.02478	8.9
249.04126	17.8
251.01939	5.8
253.03442	8.2
261.04065	7.1
263.02042	7.0
265.03470	27.9
269.06851	5.5
273.06305	8.1
275.05679	3.7
277.03510	5.0
279.05118	10.1
282.05634	5.0
283.06146	5.6
295.04633	6.6
297.06558	4.7
303.07590	5.4
307.04919	3.7
309.06174	8.2
311.05542	5.7
313.06964	4.2
314.04330	3.9
315.07526	6.7
317.06415	4.5
325.06125	8.1
329.09024	6.8
339.04980	3.9
341.06583	10.8
353.06854	23.2
355.06979	7.0
356.07916	4.6
357.06079	7.6
369.06226	10.7
371.07715	9.0
383.07620	17.4
385.05817	15.2
387.07300	6.9
397.05286	4.0
399.07486	9.1
403.06543	6.3
405.08069	3.7
413.08801	6.1
415.06674	15.2
417.08875	6.4
419.12216	18.8
429.08392	8.2
435.10770	4.7
443.09579	6.6
445.08279	5.8
447.09369	6.7
457.10095	44.3
458.09741	6.9
459.09793	7.9
461.10434	4.1
463.08466	9.3
473.10486	8.1
475.08975	28.5
476.10645	15.2
477.10535	6.3
493.09854	27.2
505.10269	21.7
506.10257	11.9
523.10925	7.8
535.11682	4.4
539.14233	6.1
540.14612	4.2
563.14130	64.7
564.14252	14.2
570.22363	4.2
578.12952	4.5
579.13702	30.6
595.13385	18.1
596.13965	27.1
597.14795	5.7
613.14160	100.0
614.14264	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	11.7
61.62061	2.1
61.98716	5.6
65.00212	2.4
67.01756	3.4
68.99715	3.4
69.03335	3.6
71.01276	11.7
71.59574	3.1
73.02827	4.5
75.00768	3.4
81.03351	12.1
83.01279	13.0
83.04916	3.1
85.02815	4.8
87.00765	4.5
89.02319	5.8
91.01731	3.0
93.03345	15.9
95.01272	5.3
95.04939	4.2
97.02852	11.1
99.00758	6.2
99.04411	3.3
101.02316	8.7
107.01286	8.1
107.04935	7.0
108.02054	6.6
109.02851	16.4
111.00756	6.4
111.04405	8.7
113.02337	8.2
117.03330	6.1
119.04924	6.8
121.02852	13.2
121.06454	2.5
123.00790	8.1
123.04454	23.9
125.02358	37.5
131.04933	4.8
133.02866	7.8
135.00771	3.9
135.04433	13.7
135.83176	2.4
137.02357	25.3
137.06010	3.0
139.00319	2.2
139.03925	11.2
139.08862	2.2
145.02844	3.4
147.04413	6.0
149.02364	20.9
149.06003	4.0
149.50139	2.0
150.03104	2.7
151.00291	7.7
151.03947	18.3
152.01027	6.0
153.01874	20.9
154.02560	2.2
159.04411	3.9
161.02341	9.5
161.06056	2.5
163.00282	8.0
163.03932	18.6
164.01094	3.3
165.01901	16.5
165.05493	5.9
166.02585	7.9
167.03476	32.6
173.02386	3.1
175.03920	8.7
176.01094	3.2
177.01907	23.9
177.05533	5.5
178.02490	4.0
178.99831	4.8
179.03461	29.3
180.04156	7.6
181.01350	5.6
181.05006	5.5
181.25748	2.2
182.02084	3.0
183.02914	5.5
187.03830	3.9
188.04959	2.7
189.01897	6.6
190.02576	3.6
190.99687	2.3
191.03503	20.6
192.00659	2.2
192.04047	2.4
193.01393	17.3
193.05022	2.9
194.02008	2.4
195.02963	18.1
197.04495	8.7
201.01860	2.8
203.03452	8.6
205.01451	14.3
205.05035	5.6
206.01950	2.4
207.02983	27.2
209.04543	54.4
210.05022	4.7
213.05565	2.5
215.03378	2.9
217.01392	5.5
217.05066	4.1
219.02982	40.2
220.03426	3.9
221.00868	10.4
221.04478	12.1
223.02527	18.1
225.03920	11.8
231.02983	4.0
233.00954	2.9
233.04585	6.2
235.02489	32.9
236.03038	3.8
237.04012	9.6
239.05565	21.8
241.05115	3.6
245.04559	4.1
247.02345	10.6
249.04066	22.1
251.01846	9.5
253.03545	7.6
255.06636	3.7
257.04593	3.8
257.08212	3.3
261.04034	6.8
263.02008	7.1
265.03622	21.5
267.05179	2.6
269.04321	4.2
269.06857	5.5
270.05109	4.4
271.06116	3.8
273.06235	8.0
277.03580	8.3
279.05096	11.0
283.06091	7.9
285.04004	2.8
285.07690	5.5
287.05698	3.2
291.05087	3.8
293.03055	4.1
295.04785	8.4
297.07599	9.9
299.05179	4.2
299.07986	6.4
301.07040	4.0
303.07474	3.4
307.04822	4.1
309.06216	7.8
311.05502	8.8
312.06198	3.0
313.07077	5.5
315.04697	3.6
323.05121	4.8
325.06177	8.9
327.05008	8.1
329.09097	4.5
337.05966	4.8
339.04953	6.6
341.06732	14.4
343.07803	3.0
345.06223	3.7
346.24536	2.7
353.06790	20.5
354.06516	2.7
355.07269	4.4
356.07510	3.1
357.06070	7.2
359.07755	3.7
367.06763	3.9
368.06882	3.0
369.06082	13.1
370.06598	2.4
371.07562	9.2
373.05573	3.8
381.05902	4.1
383.07864	17.3
384.08105	3.9
385.05383	18.8
386.06329	6.6
387.07184	6.7
390.40720	2.1
397.05588	3.5
399.07266	11.7
403.06549	10.1
413.08957	5.3
415.06696	15.6
417.07944	2.7
419.12100	21.5
425.09290	2.9
429.08655	7.1
431.09738	4.7
433.07761	4.5
435.09625	3.6
443.09796	6.3
445.08670	7.1
446.09000	3.9
447.09674	6.7
448.11682	2.8
457.09940	43.3
458.09995	5.5
459.09546	9.4
461.10675	5.2
463.08871	15.4
465.09760	3.0
473.10632	7.6
475.09033	32.2
476.11166	18.3
477.10507	3.7
487.09421	4.4
488.09778	3.3
489.10422	7.2
490.10568	2.6
493.09860	23.2
503.11853	3.3
505.10095	26.2
506.10461	7.7
519.11322	4.1
522.82129	2.4
523.10925	8.8
524.10992	3.0
535.10669	7.5
537.13489	2.5
539.13989	4.7
563.05316	3.4
563.14160	68.3
564.14459	10.6
577.12000	4.2
578.12848	7.8
579.13684	36.9
580.13971	6.5
595.12994	18.0
596.13928	26.2
613.14160	100.0
614.14447	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	613.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00991	1.0
59.01263	11.5
61.98707	1.9
68.99718	1.2
69.91120	0.6
71.01264	6.2
72.99187	1.8
73.02840	3.2
73.23194	0.5
83.01260	1.3
85.02821	3.8
87.00768	1.5
89.02346	3.0
93.03368	0.6
95.01299	1.5
96.95892	0.7
101.02352	4.8
107.01274	0.9
108.02114	1.0
109.02857	0.9
111.00778	1.4
113.02349	2.2
117.03366	7.9
119.03410	0.6
119.04955	1.0
121.02885	1.0
122.69051	0.6
125.02352	1.7
129.01860	1.4
131.01335	1.1
133.02812	0.8
135.04453	0.7
136.01520	0.6
137.02359	1.0
139.00301	1.7
139.03862	1.0
149.02354	1.5
151.00311	2.2
152.01035	0.9
153.01833	0.8
157.01366	2.4
159.04439	0.8
161.02379	1.4
163.00328	0.7
163.04016	1.1
165.01910	1.2
165.05583	0.7
167.03465	0.9
173.02379	5.3
175.00349	7.4
177.01952	1.0
178.02344	0.6
179.03505	0.7
180.03981	0.6
189.02026	0.8
189.03986	1.9
191.03401	1.0
249.05693	1.4
265.05191	0.9
269.04703	3.3
280.22369	0.7
281.04639	2.1
282.05313	1.8
283.06201	5.5
293.04626	100.0
294.04968	9.2
295.06125	1.8
309.04297	0.6
311.05685	11.7
312.05984	0.7
314.04318	1.5
323.05673	2.3
341.06882	3.1
353.06445	0.8
385.23166	0.7
413.08865	27.8
414.09323	3.2
457.11536	1.7
577.15729	75.5
578.16162	11.6
613.14886	3.9
614.15417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13488	0.2
53.76231	0.2
56.54852	0.2
64.11863	0.2
71.01251	0.2
78.46944	0.2
78.95792	12.7
79.95621	3.1
82.02283	0.2
88.18788	0.2
88.83225	0.2
94.97993	0.2
96.95915	100.0
96.96837	20.6
98.02390	1.0
98.90565	0.3
102.70842	0.2
118.96567	0.3
131.56215	0.2
229.68845	0.3
277.21829	0.9
310.60864	0.2
351.06076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78050	0.5
61.98713	0.6
62.10732	0.5
69.20461	0.5
69.20757	5.8
71.01260	0.6
77.27251	0.5
78.95795	7.7
79.95616	2.8
96.95912	100.0
96.96823	10.9
98.02441	0.5
98.20631	1.0
118.96543	0.7
163.06746	0.6
253.09352	0.7
261.78339	0.5
271.50153	0.6
271.54080	0.5
277.21735	3.6
291.03998	0.7
291.52127	0.6
351.06119	2.1
354.12793	0.6
407.17435	0.7
410.02377	0.6
611.38232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96758	0.5
57.03339	1.2
59.01263	100.0
60.01598	1.1
61.98719	11.1
65.12136	0.5
67.01775	0.6
69.03341	0.9
69.71328	2.4
71.01261	6.6
72.99177	0.9
73.02841	2.1
75.00777	1.0
83.01300	2.0
85.02831	2.4
87.00785	1.3
88.98691	3.7
89.02341	4.8
93.03368	1.6
95.01290	0.7
96.95928	1.9
97.02856	0.7
101.02351	3.8
107.01283	0.6
108.02109	1.5
109.02877	1.4
113.02374	2.1
119.03468	0.6
119.04955	1.4
121.02866	2.7
122.03671	2.1
123.04469	1.3
125.02371	4.7
130.08730	0.8
133.02908	0.8
135.04485	1.3
136.01639	0.7
137.02397	1.0
148.01558	0.9
149.02390	10.2
149.04358	0.9
150.03171	12.1
151.00253	2.8
151.03867	1.2
152.01062	1.1
153.01869	1.0
160.01620	1.2
160.26933	0.5
161.02434	1.3
161.04514	1.9
163.03937	2.5
164.04745	4.2
165.05525	13.9
165.06865	0.9
166.05855	0.8
167.03487	0.7
175.04012	1.4
177.01964	0.6
178.06299	1.2
179.03703	0.7
179.05515	0.6
179.07156	0.7
180.04250	1.0
191.07071	0.7
193.05061	0.8
193.08710	2.2
195.06606	16.1
195.08327	0.8
196.06996	1.4
205.05113	0.9
209.11720	0.7
223.06203	0.6
233.06726	0.7
242.05858	1.2
243.74915	0.5
257.08237	0.9
265.09445	0.6
269.04727	1.2
271.06335	0.9
283.06299	1.5
293.08954	2.1
326.11673	3.2
341.14032	16.5
342.14200	2.5
389.16199	3.7
610.81158	1.5
611.17969	1.1
611.31006	2.0
611.79553	0.6
612.17877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.6
59.01264	100.0
60.01616	1.1
61.98714	6.5
69.03355	0.7
69.77884	2.6
71.01271	6.7
72.45016	0.4
72.99183	1.0
73.02837	2.1
73.98202	0.4
75.00758	0.6
76.10918	0.4
81.03381	0.9
83.01295	1.3
85.02868	1.8
87.00792	1.3
88.98683	2.6
89.02338	5.1
92.05141	0.4
93.03369	1.2
95.01281	0.9
96.95914	1.7
97.02866	1.1
99.00796	1.0
99.04433	0.4
101.02364	3.5
107.01330	0.7
107.04916	0.4
108.02100	1.0
109.02886	0.9
113.02361	2.4
115.03907	0.4
119.03381	0.7
119.04982	0.9
121.02886	1.0
122.03660	1.3
123.00833	0.6
123.04465	0.5
124.01657	0.7
125.02380	5.8
130.08684	0.5
131.03351	0.8
133.02892	0.7
135.04468	1.9
136.20647	0.4
137.02420	1.5
137.06081	0.5
143.03323	0.4
145.02922	0.7
147.04478	0.8
147.08064	0.5
149.02391	9.9
149.04468	0.6
150.03169	11.3
150.04323	0.7
151.00269	2.8
151.03943	0.7
152.01086	1.0
153.01855	0.8
153.05629	0.5
161.02461	0.7
161.04527	2.1
163.03952	2.3
164.04774	3.7
165.05527	15.3
167.03455	0.5
177.01913	0.9
178.06323	0.7
179.03564	0.5
180.04248	0.7
190.02675	0.4
193.08655	2.2
195.06602	19.1
196.07014	0.7
205.05148	0.5
221.53523	0.4
233.06755	1.7
242.05893	2.1
243.06552	0.6
257.08176	2.6
265.09348	0.6
269.04660	0.8
271.06229	1.4
287.22403	0.5
293.08847	4.4
326.11642	3.2
341.14001	19.7
342.14090	2.0
389.16064	5.1
389.20041	0.5
390.16412	0.8
597.01666	0.5
610.80701	0.8
611.17242	2.1
611.30267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.9
59.01265	100.0
60.01601	2.1
61.01688	1.2
61.98718	3.6
63.56140	0.6
65.00227	1.9
69.53974	1.3
69.54375	3.8
70.83857	0.5
71.01270	1.5
81.85330	0.5
83.01292	1.3
85.02843	0.9
93.03362	0.5
95.01302	0.6
97.02843	0.6
98.20592	1.1
101.02348	0.5
103.64733	0.6
107.01317	1.6
109.02872	0.8
110.00037	0.8
111.00790	0.8
113.02350	0.8
119.04921	0.8
123.00778	0.6
123.04427	0.5
124.01520	1.1
125.02367	6.0
130.75462	0.5
133.02911	1.3
135.04442	7.8
137.02417	1.1
139.00284	2.7
146.03665	19.3
146.04825	0.9
149.02348	1.2
151.00305	7.7
151.03958	4.9
153.01921	1.0
161.04593	1.3
161.05997	7.6
163.03990	1.0
164.04745	13.9
165.01884	1.5
165.05281	0.5
165.99057	1.7
166.99823	5.0
177.01912	8.2
178.02101	0.6
179.07103	83.0
180.00717	0.6
180.07428	4.3
181.01430	1.1
202.82329	0.5
276.44183	0.5
285.04074	1.2
287.05679	0.8
302.03781	1.1
303.05109	1.0
358.13773	0.7
359.14114	0.8
370.13629	0.7
371.14157	0.9
389.16171	16.7
390.16534	2.6
459.11514	1.0
475.11334	3.1
476.10892	0.6
485.13373	0.7
514.67755	0.6
593.15131	1.6
611.16217	14.0
612.16486	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	611.2144
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
58.30107	0.2
59.01279	0.9
61.45620	0.2
61.98742	0.4
63.65487	0.2
66.91353	0.2
71.01277	0.4
73.30383	0.2
79.05406	1.0
93.03384	0.4
96.95946	0.2
98.19767	0.4
99.00846	0.2
102.12371	0.2
102.18436	0.2
103.05480	0.3
105.07055	0.2
107.04929	1.3
108.02118	0.5
109.02885	0.7
113.02393	0.3
116.92793	0.2
117.03371	0.2
119.01276	1.0
121.02905	0.8
123.04461	0.4
125.02447	0.2
131.04959	0.5
132.02135	0.7
133.02869	1.4
135.04477	0.5
136.04718	0.2
145.02916	0.5
147.00792	2.2
147.01675	0.2
147.04512	0.5
148.01639	1.3
149.02409	0.6
149.06046	0.5
150.03210	0.4
151.07625	0.3
157.06554	0.5
159.04523	0.3
161.02397	0.8
162.03210	0.6
163.03966	0.6
163.11206	0.2
164.04840	0.3
165.05542	0.6
171.08177	0.3
173.02396	0.3
173.06042	0.4
175.04001	0.8
183.04469	0.3
185.06088	0.7
187.03889	0.2
187.07639	0.5
189.01945	0.3
197.06073	0.3
198.03217	0.3
199.04010	0.5
199.07585	0.2
200.04802	0.3
201.01857	0.3
201.05566	0.7
209.06061	0.3
209.11848	1.3
211.04010	0.3
211.07590	0.2
211.11223	0.3
213.05627	0.6
213.12877	0.7
214.06270	0.3
215.03593	0.3
215.07120	0.5
225.05644	0.6
225.09221	0.2
226.06306	0.2
227.03528	1.1
227.07143	0.5
228.04306	0.5
229.05045	1.4
229.76630	0.2
230.05766	0.5
237.05574	0.2
239.03670	0.2
239.10797	0.4
240.04239	0.3
241.05115	0.3
245.09781	0.5
247.07686	0.4
247.11293	0.3
253.05157	0.4
253.08791	0.4
254.05888	0.3
254.09111	0.3
255.02963	0.4
255.06630	1.0
256.07404	0.3
257.11896	2.5
261.09326	0.8
262.10034	0.2
263.07248	0.3
263.10782	0.3
265.05127	0.2
273.09198	0.5
274.10114	0.3
275.07272	0.8
275.10876	0.3
277.05167	0.3
277.08759	0.6
278.09363	0.4
279.03079	0.4
279.06555	0.3
281.08157	0.3
283.02713	0.4
288.07919	0.4
289.08820	1.3
290.09625	0.9
291.06708	0.8
291.10324	1.4
292.07626	0.3
292.10645	0.2
293.04745	0.7
293.08090	0.4
297.10995	0.2
303.06882	0.5
303.10318	0.3
304.07434	0.4
305.08255	1.6
305.11636	0.4
306.08856	1.1
307.06201	0.4
307.09860	0.7
317.08286	2.0
318.08942	1.5
319.02719	0.3
319.06116	1.1
319.09863	2.5
320.06842	0.5
320.10382	0.5
321.04166	0.5
321.07776	0.4
321.11322	0.3
323.05542	0.6
325.07233	0.3
329.08301	0.3
331.09940	0.7
332.07013	0.3
333.07736	2.5
333.11478	1.1
334.08441	2.0
334.12018	0.4
335.05792	0.8
335.09323	11.0
336.06158	0.4
336.09732	1.6
337.07315	0.3
345.07846	0.7
346.08694	1.0
347.05664	0.4
347.09232	1.8
348.10065	0.9
349.07089	0.3
349.10873	4.7
350.11383	0.6
359.09290	1.8
360.10043	0.6
361.07187	1.0
361.11060	0.4
362.07974	4.3
363.08801	12.0
364.09470	3.6
365.10254	0.6
375.08850	0.9
376.09744	0.6
377.10361	20.2
378.11020	7.5
379.11899	3.1
387.12338	1.2
389.13974	1.0
390.14426	0.3
393.09888	0.2
394.06879	0.5
401.14008	0.3
404.16498	0.3
405.13416	3.1
405.17825	0.3
406.14099	0.8
407.18857	0.5
415.11862	0.6
418.14264	0.7
419.15060	1.3
420.15796	0.6
429.13641	0.6
430.13931	0.4
431.14990	0.6
433.13025	9.6
434.04675	0.3
434.13568	3.8
435.14310	0.6
447.14523	2.0
448.15359	3.8
449.16147	37.5
450.16437	4.9
491.17868	0.3
539.15680	0.4
541.17407	1.4
572.15179	0.3
583.21686	0.3
611.21436	100.0
612.21796	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.8
57.03344	2.1
59.01265	12.8
61.98720	3.1
65.00182	1.2
69.23625	13.3
69.92316	1.3
71.01273	17.6
71.18684	1.1
72.99191	3.3
73.02828	7.5
75.00767	2.3
83.01280	4.7
85.02838	8.1
87.00777	39.1
89.02328	5.0
95.01290	2.8
95.20770	1.2
97.02867	2.5
99.00798	6.4
100.01601	2.0
101.02339	7.8
108.02023	1.6
109.02869	3.1
111.00803	17.4
112.98740	5.2
113.02354	4.7
115.00295	1.5
119.03423	2.2
119.04884	1.6
122.05969	1.4
123.00805	11.4
124.01614	2.1
125.02349	6.0
125.96766	1.3
127.03998	1.9
135.04478	2.4
137.02402	2.8
138.03146	2.5
141.01923	1.5
142.99811	4.2
149.02382	2.9
151.00320	5.1
151.03967	2.5
152.01060	1.7
153.01875	1.5
153.05499	4.3
160.42355	1.2
161.02408	12.0
161.04507	3.2
163.03944	8.3
164.04761	7.2
165.01817	2.1
166.02660	4.3
173.00877	5.1
173.02359	2.7
174.01630	1.8
175.03944	3.7
176.04808	6.3
176.16586	1.2
177.01894	3.0
177.05569	2.1
178.06343	10.2
179.03458	14.5
179.05634	2.4
179.07004	8.5
181.05038	7.2
188.04735	1.3
190.02708	4.3
190.06314	1.9
191.03485	17.0
191.07143	5.5
193.04953	2.7
193.08728	9.0
194.05855	15.2
195.06540	2.8
196.94238	1.2
203.03448	3.6
203.07108	3.1
205.05019	6.8
206.05817	13.6
207.03017	1.4
207.06505	2.7
209.08208	23.1
210.08308	1.4
217.05150	1.6
218.05832	2.7
219.02971	3.3
219.06496	2.0
220.07361	1.6
221.04797	1.9
221.08188	46.0
222.05367	2.2
222.08543	3.5
223.06117	3.5
233.04648	2.3
233.08145	2.6
234.05333	5.6
235.06116	2.5
236.07002	2.0
237.07684	3.8
237.09886	3.6
246.05406	1.4
247.02591	6.5
247.06163	2.5
249.04010	3.2
249.07774	8.2
259.06339	1.9
261.04077	6.7
262.04901	11.3
263.05588	1.9
264.06375	9.9
265.07172	8.7
276.06451	8.9
277.07220	24.0
279.08862	5.1
291.08807	4.8
305.08875	5.1
322.07047	2.2
337.09354	39.9
338.09695	3.8
373.15274	3.9
447.26013	3.7
475.16254	41.5
476.16696	4.0
487.16159	6.4
505.17078	6.2
535.18604	4.1
547.18469	4.9
593.18988	12.6
611.19977	100.0
612.20074	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	611.1629
Annotation	Flavoplatycoside
Peak:m/z	Relative Intensity
57.03329	1.9
59.01266	41.6
61.98704	2.0
65.00205	5.6
68.79352	0.7
69.42850	4.8
69.43288	2.6
71.01266	2.9
72.99203	1.0
73.36275	0.7
78.17971	0.7
83.01276	3.9
85.02834	1.1
85.67382	0.7
87.00799	0.9
89.02328	1.3
95.01276	2.4
97.02857	1.4
99.00777	1.7
101.02344	1.6
105.03410	1.1
107.01307	5.9
107.04881	1.2
109.02858	3.3
110.00006	3.3
111.00809	5.5
113.02386	1.1
121.02856	2.0
123.00806	5.8
123.04418	2.5
124.01568	3.6
125.02373	38.1
126.02714	1.8
133.02896	5.3
135.04449	30.5
136.04761	1.6
136.98734	1.3
137.02420	4.9
137.03300	0.9
139.00302	9.8
140.01059	0.9
141.01830	1.4
146.03697	6.6
148.01591	1.6
149.02385	4.1
150.03099	2.4
151.00317	25.8
151.03941	20.7
152.00902	1.6
153.00807	0.9
153.01874	4.8
161.02400	2.0
161.04652	0.9
161.06033	3.6
164.04785	5.4
164.98210	2.4
165.01846	3.2
165.99060	5.5
166.98453	1.7
166.99815	24.9
167.03485	2.7
168.39854	0.9
170.09207	0.7
175.00340	0.9
175.03992	0.9
176.01106	2.4
177.01901	49.9
178.02254	2.6
179.03549	1.4
179.07104	28.2
179.20253	0.8
180.00598	2.5
180.07434	1.1
181.01413	3.6
183.18481	0.8
188.04677	0.8
192.00583	2.2
193.01370	2.7
199.03958	1.0
210.46425	0.8
215.03371	1.1
235.02492	1.3
240.04143	1.2
241.05011	3.9
243.02988	0.9
256.03705	2.1
257.04581	1.3
258.05301	1.1
259.05991	1.6
284.03244	4.0
285.04108	8.1
287.05573	1.1
300.02957	1.5
301.03467	3.0
302.04086	5.7
303.05203	5.8
389.16183	6.7
433.13562	2.4
434.14688	1.1
449.13129	2.0
459.11462	7.5
460.11621	1.5
475.11023	27.3
476.11438	3.2
485.13138	3.4
501.12735	3.5
567.17963	0.9
593.15283	14.6
594.15802	2.7
603.49548	0.8
611.16193	100.0
612.16559	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	611.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33076	0.4
57.03329	1.3
59.01265	5.0
61.98706	1.3
63.02281	1.0
65.00209	11.9
68.64384	0.3
70.98055	1.1
71.01271	4.4
72.99207	0.5
73.02825	1.0
75.00752	0.7
81.03319	0.6
83.01285	5.4
85.02843	2.4
87.00772	1.2
89.02334	2.1
93.03359	0.8
95.01289	0.8
96.95902	0.6
99.00788	1.5
101.02356	2.5
107.01296	21.0
107.04926	0.3
108.02110	1.0
108.67347	0.4
108.99229	0.5
109.02860	3.1
111.00803	0.8
113.02366	2.3
119.03407	0.6
119.04932	0.5
121.02868	0.8
124.01620	0.6
125.02369	9.4
131.03479	0.5
133.02910	1.0
134.03662	2.0
135.04449	56.0
136.04782	2.2
136.61926	0.3
137.02361	1.2
138.84572	0.4
139.03879	0.4
149.02400	1.9
149.04500	0.4
150.03142	0.6
151.00310	100.0
152.00667	3.8
153.01849	0.8
157.01424	0.6
159.04463	0.3
161.02347	3.2
161.04482	0.9
164.01080	1.0
164.04726	1.6
165.01880	1.8
167.03391	0.6
169.01387	3.5
173.02454	0.4
174.03131	0.5
175.00319	3.9
177.01878	3.2
178.99831	0.5
179.03481	0.6
190.02673	5.6
190.04327	0.5
191.03264	0.4
193.01434	2.1
195.06541	0.4
196.00060	1.0
197.04509	0.4
199.03915	0.5
200.04787	0.5
201.02002	0.5
201.05455	0.4
201.11383	0.6
205.01389	1.4
205.05055	5.9
206.01956	0.4
206.05661	0.7
209.04457	0.5
217.01404	0.5
219.14067	0.4
223.06143	1.4
227.03447	0.6
227.07191	0.4
235.02403	1.8
256.03674	1.1
265.07254	1.4
269.04584	1.3
273.07486	0.5
277.03561	0.3
284.03323	6.9
285.03946	2.9
286.04361	1.1
287.05695	9.2
288.06180	0.9
288.74661	0.4
289.07309	1.0
295.04718	0.6
299.05667	15.3
300.05954	1.3
315.07401	0.4
317.06769	0.5
353.06827	0.4
355.06793	1.6
373.07788	1.5
449.11337	0.5
475.10995	11.9
476.11526	1.3
611.16370	64.0
611.27313	11.2
612.16687	10.8
612.27313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1633
Annotation	Eriodictyol 5,3'-di-O-glucoside
Peak:m/z	Relative Intensity
51.90897	0.5
52.20255	0.6
53.77909	0.4
57.03338	11.6
59.01262	2.6
59.72346	0.5
61.98714	1.5
62.46819	0.5
63.02299	0.6
65.00211	1.2
65.89607	0.5
70.85187	0.8
70.85506	0.8
71.01264	1.6
73.02826	0.9
81.03362	2.5
83.01286	7.4
85.02861	0.5
87.00751	0.7
89.02338	0.7
93.03368	0.8
95.01292	0.7
96.95930	2.3
97.02850	1.0
99.00758	0.6
101.02321	0.9
106.73056	0.5
107.01304	2.1
109.02874	2.0
113.02441	1.0
121.02870	0.8
123.04446	1.8
124.01603	1.7
125.02367	100.0
126.02729	2.7
127.21966	0.5
130.14682	0.5
133.02905	0.6
135.04443	0.9
137.02336	0.9
139.03931	2.1
149.02379	5.1
151.00323	8.8
151.03900	0.7
152.01028	2.3
153.01888	8.9
161.02412	5.3
163.00278	1.0
163.06059	0.8
165.01859	1.5
167.03429	3.3
169.01311	0.8
175.03963	1.0
177.01921	2.6
178.99831	5.8
181.01326	0.9
191.09212	0.5
199.03915	0.6
205.01064	0.5
205.07336	0.6
209.04742	0.7
217.05109	0.6
235.02377	0.6
241.04860	0.6
251.07385	0.5
259.06204	1.3
262.56500	0.5
269.04550	1.5
275.05704	3.6
284.03308	1.3
285.04083	1.8
287.05487	1.4
291.54333	0.6
329.06802	0.8
449.10992	57.8
450.11224	7.6
459.11520	2.1
461.13028	2.3
473.11115	1.8
487.10999	8.7
488.12241	1.1
491.12115	3.3
551.27081	1.2
579.05701	0.6
583.16797	7.8
584.17010	0.8
593.15704	3.7
594.15814	0.6
611.16229	19.4
612.16541	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	611.1633
Annotation	Okanin 4'-gentiobioside
Peak:m/z	Relative Intensity
55.33076	0.4
57.03329	1.3
59.01265	5.0
61.98706	1.3
63.02281	1.0
65.00209	11.9
68.64384	0.3
70.98055	1.1
71.01271	4.4
72.99207	0.5
73.02825	1.0
75.00752	0.7
81.03319	0.6
83.01285	5.4
85.02843	2.4
87.00772	1.2
89.02334	2.1
93.03359	0.8
95.01289	0.8
96.95902	0.6
99.00788	1.5
101.02356	2.5
107.01296	21.0
107.04926	0.3
108.02110	1.0
108.67347	0.4
108.99229	0.5
109.02860	3.1
111.00803	0.8
113.02366	2.3
119.03407	0.6
119.04932	0.5
121.02868	0.8
124.01620	0.6
125.02369	9.4
131.03479	0.5
133.02910	1.0
134.03662	2.0
135.04449	56.0
136.04782	2.2
136.61926	0.3
137.02361	1.2
138.84572	0.4
139.03879	0.4
149.02400	1.9
149.04500	0.4
150.03142	0.6
151.00310	100.0
152.00667	3.8
153.01849	0.8
157.01424	0.6
159.04463	0.3
161.02347	3.2
161.04482	0.9
164.01080	1.0
164.04726	1.6
165.01880	1.8
167.03391	0.6
169.01387	3.5
173.02454	0.4
174.03131	0.5
175.00319	3.9
177.01878	3.2
178.99831	0.5
179.03481	0.6
190.02673	5.6
190.04327	0.5
191.03264	0.4
193.01434	2.1
195.06541	0.4
196.00060	1.0
197.04509	0.4
199.03915	0.5
200.04787	0.5
201.02002	0.5
201.05455	0.4
201.11383	0.6
205.01389	1.4
205.05055	5.9
206.01956	0.4
206.05661	0.7
209.04457	0.5
217.01404	0.5
219.14067	0.4
223.06143	1.4
227.03447	0.6
227.07191	0.4
235.02403	1.8
256.03674	1.1
265.07254	1.4
269.04584	1.3
273.07486	0.5
277.03561	0.3
284.03323	6.9
285.03946	2.9
286.04361	1.1
287.05695	9.2
288.06180	0.9
288.74661	0.4
289.07309	1.0
295.04718	0.6
299.05667	15.3
300.05954	1.3
315.07401	0.4
317.06769	0.5
353.06827	0.4
355.06793	1.6
373.07788	1.5
449.11337	0.5
475.10995	11.9
476.11526	1.3
611.16370	64.0
611.27313	11.2
612.16687	10.8
612.27313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
59.01257	6.3
60.96893	1.8
61.98722	7.7
63.02279	1.6
65.00213	14.7
67.01766	2.5
68.99696	1.6
69.03334	3.1
71.01261	3.0
81.03323	2.4
83.01275	8.2
85.02834	2.1
87.00775	1.3
89.02344	1.4
93.03336	3.9
95.01305	6.3
96.99162	1.3
97.02843	3.5
97.89755	1.3
98.19821	4.7
98.85542	1.3
99.00788	3.7
101.02323	2.2
107.01302	14.3
108.02080	2.5
109.02850	4.8
111.00749	7.5
113.02319	1.2
119.04942	12.2
121.02855	5.1
123.00822	3.3
123.04411	2.9
124.01569	4.8
124.98659	1.4
125.02370	56.8
133.02879	10.7
135.04405	9.2
136.98671	4.7
137.02383	9.1
139.00310	16.1
140.01118	3.5
141.01825	2.2
143.04967	6.3
143.29489	1.3
145.02853	3.5
148.01543	1.9
149.02423	7.2
150.03122	2.4
151.00308	59.3
151.03955	51.1
152.00769	4.4
152.04327	1.6
153.01865	10.1
153.50322	1.5
154.99826	2.6
156.00629	1.5
161.02379	3.6
163.06042	1.6
164.98235	4.7
165.01866	7.4
165.99030	1.5
166.99831	7.3
167.03432	3.7
169.06546	1.9
171.04436	3.3
173.06026	2.3
175.00337	2.5
175.03880	1.6
176.01028	2.9
177.01897	76.3
178.02231	5.1
178.99760	1.3
179.03482	2.3
181.01385	11.3
183.02916	2.8
183.04428	1.8
185.06006	3.3
187.03947	2.8
189.01895	2.3
190.02487	1.5
191.03455	3.5
192.00644	6.5
193.01366	8.1
195.04477	1.5
197.06187	1.4
199.04047	4.1
201.01949	2.9
201.05482	1.2
203.03452	1.4
205.01299	1.5
205.05112	3.2
208.00067	1.5
211.03928	2.1
213.05513	4.2
213.26056	1.4
213.61456	1.3
214.02652	1.7
215.03389	2.9
217.05081	2.0
223.04039	2.4
223.06036	1.7
227.03442	5.1
228.04361	2.0
229.05034	3.1
231.06523	3.3
235.02483	3.1
239.03514	4.1
240.04312	2.8
241.05136	15.4
243.03043	1.6
255.03069	2.8
256.03705	3.7
257.04648	9.8
258.05237	1.4
259.06122	8.4
267.03021	5.2
271.06088	4.8
275.05765	1.5
284.03308	22.1
285.04089	47.1
286.04437	4.8
287.05618	4.3
293.04587	1.9
294.04703	1.7
302.04147	3.1
303.05212	6.8
433.13297	1.7
449.09653	2.1
459.11591	17.2
460.12311	2.2
473.12708	1.5
475.11261	5.2
485.13058	3.8
489.12720	11.6
490.12759	2.4
501.12714	12.1
548.14832	4.8
549.15576	2.0
567.17535	2.8
583.16589	2.9
593.15277	43.5
594.15820	5.8
611.16229	100.0
612.16730	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	609.4148
Annotation	Manadomanzamine A
Peak:m/z	Relative Intensity
59.01254	5.3
61.98727	1.5
63.27914	1.0
70.57910	2.4
70.58274	1.5
70.76600	1.0
70.97887	1.0
71.01260	1.7
78.95798	1.3
82.00954	1.0
86.70499	1.0
87.00807	1.3
95.04910	3.5
98.20492	1.0
102.70188	1.1
110.77209	1.3
121.10145	20.3
125.09621	1.4
146.81500	1.3
171.10211	52.8
172.10568	1.9
177.16460	1.8
183.13969	1.7
185.11801	1.8
197.11771	1.1
207.10008	2.6
211.13326	2.6
219.81323	1.1
231.21227	3.4
257.36575	1.1
275.20218	62.3
276.20569	4.7
278.11386	6.2
293.21292	66.1
294.21652	6.3
297.18301	1.6
315.19470	34.7
316.19778	1.8
329.17657	1.3
357.13254	1.0
359.18549	9.7
387.51974	1.1
397.13501	1.3
405.13510	2.0
567.22290	1.4
576.39386	1.3
609.41467	100.0
610.41779	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	609.4154
Annotation	Manadomanzamine A
Peak:m/z	Relative Intensity
54.55516	0.4
57.03328	0.6
62.93757	0.4
65.74130	0.5
69.03355	0.6
70.66682	0.5
71.58257	0.6
72.99203	0.6
73.11313	0.4
78.95829	0.6
83.04924	0.5
84.49013	0.5
99.08070	0.7
101.88518	0.4
109.06518	0.6
113.09614	0.5
125.09611	1.1
139.11206	4.3
153.12798	3.0
165.89236	0.4
175.74432	0.5
189.16554	0.6
191.18037	4.8
224.14174	1.3
229.19588	0.9
245.19125	1.0
247.20723	5.1
275.20193	0.5
291.19730	1.0
293.21304	100.0
294.21603	8.1
354.45154	0.4
609.41492	50.7
610.41888	9.7
636.02405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1631
Annotation	Flavoplatycoside
Peak:m/z	Relative Intensity
57.03327	5.1
59.01268	7.4
61.98722	8.7
63.02281	1.7
65.00207	17.7
67.01773	2.3
68.99708	3.6
69.03329	3.9
69.27841	9.8
69.28248	2.2
71.01257	5.5
72.99202	1.4
73.02847	2.5
81.03350	3.4
83.01282	8.5
85.02867	2.5
87.00776	2.0
89.02345	1.4
89.03858	2.4
93.03351	3.9
95.01289	5.9
96.99210	3.1
97.02850	4.0
98.19768	1.9
99.00771	3.8
101.02356	3.6
102.28101	1.2
105.03353	2.2
107.00627	2.0
107.01294	20.8
107.04953	1.2
108.02068	3.4
109.02873	8.7
110.00005	1.2
111.00800	9.4
113.02358	2.4
117.03360	2.8
119.04943	20.6
121.02875	5.4
123.00792	6.1
123.04433	6.1
124.01574	3.8
125.02369	63.8
126.02703	2.4
127.53159	1.0
133.02882	11.8
135.00761	1.3
135.04457	10.5
136.01645	2.5
136.98767	5.8
137.02356	14.0
138.02719	2.5
139.00296	17.8
140.01106	2.5
141.01881	3.9
143.04959	7.7
145.02908	3.4
145.06563	1.8
148.01563	1.4
149.02388	5.1
150.03140	4.1
151.00317	58.7
151.03951	55.3
152.00848	3.6
152.04225	3.1
153.01883	13.0
154.99748	3.3
156.00529	2.1
157.06546	2.0
161.02405	3.4
163.00360	2.2
163.03911	1.2
164.01079	1.6
164.98228	9.0
165.01904	10.4
165.98972	1.4
166.99779	6.0
167.03510	5.6
167.04741	1.4
169.01370	2.2
171.04448	3.3
173.06004	2.4
175.00325	2.6
175.03920	1.4
176.01088	3.1
177.01897	91.9
178.02232	7.0
179.03481	1.5
181.01418	9.8
183.03030	2.0
184.05273	1.2
185.06059	3.4
187.03976	2.7
189.01907	1.6
189.05583	2.0
190.02603	2.0
191.03433	4.0
192.00598	7.3
193.01378	9.7
195.04459	3.1
195.60117	1.1
196.05101	1.0
197.06061	1.5
198.03166	1.6
199.03943	4.2
201.01881	3.5
201.05432	1.1
203.03459	1.5
205.01343	1.4
205.05048	1.7
208.00157	2.3
209.04446	1.4
211.03967	2.6
212.04831	1.7
213.05489	5.2
214.02666	1.2
215.03482	3.3
217.05055	5.3
223.03978	3.9
226.10034	1.3
227.03523	5.2
228.04021	2.1
229.05042	1.9
231.06577	3.1
235.02489	2.1
239.03532	5.0
240.04245	2.8
241.05124	19.9
242.05576	2.2
243.02986	3.0
245.04509	1.6
255.02969	3.9
256.03799	5.0
257.04572	10.4
258.05167	3.1
259.06152	8.7
260.06357	1.9
267.03030	6.9
268.03516	1.2
271.06137	3.6
272.06314	1.2
275.05893	1.5
284.03326	24.8
284.06152	0.9
285.04086	54.3
286.04434	4.9
287.05600	4.3
293.04544	4.7
294.05005	7.4
301.03430	3.1
301.07010	1.2
302.04047	3.5
303.05188	7.5
327.04904	1.7
383.08035	2.1
384.07864	3.7
433.13498	1.9
447.11172	2.0
449.12885	4.2
459.11536	15.8
460.11945	2.4
465.12433	1.5
473.11090	1.7
475.11099	4.0
485.13040	5.8
486.13354	1.5
489.12491	6.4
490.12903	2.1
491.10168	3.1
501.12555	12.9
548.15021	12.8
549.15863	5.3
551.13776	1.5
567.17371	3.0
583.17163	2.8
593.15271	53.3
594.15594	7.2
611.16193	100.0
612.16736	18.4
612.26270	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	3.7
59.01264	65.7
61.98717	5.1
71.01266	40.4
71.50930	2.5
71.51288	2.5
71.82560	2.1
72.99200	3.2
73.02825	4.3
83.01279	4.0
85.02844	10.6
87.00790	5.7
89.02336	37.0
95.01298	3.0
96.95885	4.8
99.00819	2.0
101.02345	22.4
111.00713	2.1
113.02342	13.5
119.03418	16.7
128.64386	1.9
135.04459	2.2
137.02441	2.8
137.09712	1.9
143.03426	2.8
152.01079	3.2
161.04491	6.1
179.05586	11.0
247.35481	1.9
255.02971	3.2
279.83813	2.0
283.02618	3.0
284.03369	2.3
285.04025	5.3
298.04816	2.8
327.04935	3.0
350.05435	2.5
369.06561	2.3
387.20322	3.3
447.09668	6.4
489.10251	3.1
519.19995	2.6
549.25684	100.0
550.25708	12.4
609.13983	13.5
610.15430	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.3
57.03336	5.7
59.01254	4.4
61.98709	3.5
69.03352	1.7
69.60977	2.7
69.61378	7.4
71.01267	2.5
71.04920	7.2
74.35672	1.1
78.42420	1.0
81.03387	1.5
83.04918	3.0
85.19250	1.1
95.04895	1.8
96.95900	2.3
97.02863	5.8
97.03400	1.2
97.06493	4.9
99.00168	2.4
99.00771	21.2
109.06458	2.8
111.04477	2.4
123.08068	3.2
125.09650	12.3
132.35866	1.2
136.05258	1.3
142.02609	1.4
161.09650	1.3
163.11243	17.9
167.10745	1.2
180.05847	1.3
181.12303	37.9
182.12589	3.3
195.13887	5.9
199.13374	13.5
200.13777	1.6
207.10248	39.6
208.10605	1.6
221.15475	5.8
223.13400	4.0
225.11322	76.5
226.11682	6.0
239.16504	5.3
243.12425	42.5
244.12741	2.2
291.19693	11.9
299.14966	11.8
309.20816	30.3
310.21045	3.2
317.16077	22.5
318.16489	2.7
327.21930	8.7
379.72418	1.5
440.10736	1.4
447.14630	1.3
552.44427	1.5
609.36560	100.0
610.36896	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23685	1.7
55.01780	4.2
57.03324	3.1
58.00481	2.7
59.01265	53.2
61.98717	9.9
69.40820	17.3
71.01270	65.6
72.99190	5.9
73.02844	11.7
75.00751	2.7
81.03341	3.0
83.01286	10.0
85.02852	28.2
87.00761	9.7
89.01830	2.7
89.02342	32.8
95.01275	7.0
96.95938	4.9
97.02851	2.7
99.00772	7.2
101.01708	3.4
101.02344	46.8
109.02846	2.7
113.02363	36.6
119.03404	12.6
119.04925	2.2
121.02834	1.8
125.02374	7.5
125.50222	2.2
131.03409	6.5
133.02887	3.8
134.03693	2.2
135.02856	2.0
137.02376	4.1
143.03482	4.7
149.02377	3.0
151.00308	5.6
151.03841	2.2
161.04503	25.2
165.01776	2.3
178.99741	1.7
179.05591	18.4
189.12798	5.9
221.06660	19.7
228.62457	2.1
255.02957	5.7
263.07758	9.5
269.04697	2.1
281.04422	2.6
283.02448	4.5
284.03262	8.3
285.04050	8.5
285.07025	2.1
297.03894	2.9
298.04858	10.2
299.05731	3.1
304.44260	2.0
315.04895	1.9
327.05084	4.3
330.04007	2.2
339.05127	5.7
357.05969	3.3
369.06329	6.6
387.20206	23.2
399.07251	5.8
429.08374	6.3
473.18707	1.8
489.10696	7.2
519.11731	14.9
520.12195	3.0
549.25653	100.0
550.25928	16.2
566.75665	2.0
591.13940	2.9
609.14789	22.1
609.23724	3.6
610.15009	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	609.2691
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
57.03325	0.7
59.01269	5.4
59.16784	0.7
61.98707	1.9
69.31023	2.2
69.31445	4.6
71.01273	2.7
71.04909	2.5
78.95795	60.4
96.95898	1.4
96.96855	11.6
98.20522	1.2
101.02332	0.8
109.02840	1.5
113.02393	0.6
119.71594	0.7
121.02849	1.2
125.02362	4.6
126.05469	0.7
135.04416	1.9
149.06006	1.5
150.98012	1.0
152.01006	0.8
152.99522	82.8
153.99840	1.2
161.02374	1.4
171.00595	3.7
183.07883	0.6
190.15359	0.9
220.82716	0.7
222.96727	0.8
223.00107	8.8
223.16931	1.9
231.21283	0.7
235.17033	9.8
241.01221	23.0
259.02386	1.2
275.20264	7.0
287.05701	1.4
293.21283	11.5
315.04984	12.2
333.05701	1.2
405.13217	0.8
527.29517	0.9
609.26941	100.0
610.27222	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	609.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.2
57.03332	0.6
59.01264	100.0
60.01588	1.0
61.98717	2.1
65.00214	0.6
69.28065	0.9
69.28487	1.0
71.01266	2.1
72.99202	0.7
73.02852	0.6
75.00760	0.2
77.42872	0.2
83.01304	0.5
85.02851	0.9
87.00774	0.3
88.98712	0.7
89.02345	1.1
89.03860	0.3
93.03400	0.4
95.01311	0.2
96.95940	0.3
99.00804	0.3
101.02341	0.9
107.01311	0.8
108.02111	0.4
108.72472	0.2
109.02905	0.5
113.02349	1.1
117.03400	0.8
119.03419	0.2
119.04967	0.2
121.02881	0.4
123.00794	0.7
123.04444	0.4
124.01594	0.5
125.02388	0.8
132.02151	0.3
133.02895	0.3
134.03662	9.7
135.04420	0.7
137.02411	0.5
139.03983	0.7
143.03481	0.2
149.02400	1.2
149.06009	1.1
150.03174	0.4
151.00304	2.9
151.03951	0.7
152.01076	0.3
153.01895	0.2
158.39999	0.2
160.01627	1.2
161.02423	0.5
161.04553	0.7
163.03986	0.2
164.04805	0.8
165.05571	0.3
166.05006	0.2
167.03471	0.3
175.00336	0.3
175.03929	2.0
178.02727	0.6
178.99872	0.3
179.07182	0.4
180.00772	0.2
189.05403	0.2
190.02722	0.3
190.06369	0.3
193.05032	13.0
193.99318	0.2
194.05464	0.8
195.06570	0.2
199.03957	0.2
205.05054	0.6
205.06921	0.2
206.40652	0.2
207.09763	0.2
221.06609	0.3
222.05399	0.3
223.06093	1.9
238.06256	0.2
239.03674	0.2
240.07971	0.2
244.98482	0.2
250.30658	0.2
257.04727	0.2
266.05615	0.2
267.06714	0.2
268.07440	0.9
280.07483	0.4
283.06662	0.2
283.09818	1.0
284.06973	0.3
285.04172	2.2
293.08435	0.3
294.05673	0.2
295.06424	0.2
296.06949	0.5
297.07599	0.3
299.02158	0.2
299.09497	0.3
299.36441	0.2
300.02991	0.5
301.03766	0.2
308.07013	0.5
309.07867	0.6
311.09451	0.3
312.06464	1.1
321.07874	0.2
322.08652	0.3
323.09314	1.4
324.06519	0.5
324.10138	0.9
327.08768	3.0
327.12363	0.2
337.11020	0.3
338.11798	0.8
339.08798	4.2
339.12341	0.6
340.09241	0.5
342.11139	4.0
343.11737	0.6
354.11087	2.3
355.12283	0.2
357.13501	16.6
358.13940	1.7
369.13480	16.4
370.13882	1.9
415.12622	0.4
436.46683	0.2
465.10776	0.7
507.11896	0.5
589.25897	0.2
609.16107	1.5
609.31470	0.2
610.16296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.1
59.01262	10.9
59.81870	0.5
65.56612	0.5
69.03332	0.5
71.01267	15.5
71.51424	0.7
72.99203	1.0
75.00763	6.9
80.40178	0.6
82.96210	0.5
85.02844	15.6
87.00767	6.1
89.02335	5.4
95.01283	3.4
99.00777	3.8
101.02328	1.1
103.00270	1.6
113.02356	23.0
115.00301	0.5
117.01847	1.5
119.14256	0.5
123.22976	0.5
129.01830	1.5
135.12352	0.5
148.12590	0.5
175.02412	0.6
207.05145	1.1
243.90517	0.5
249.06174	1.9
267.07269	100.0
268.07651	4.6
281.91599	0.6
329.88153	0.5
636.31268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01597	0.9
61.98726	0.4
65.00204	0.8
69.44939	0.9
69.45367	1.4
71.01270	0.7
86.25609	0.2
95.01268	0.3
101.02387	0.3
107.01328	0.6
108.02109	0.4
109.02918	0.3
113.02391	0.3
119.04943	0.3
121.02851	0.5
125.02402	1.0
129.10957	0.3
133.02835	0.3
135.00839	0.3
135.04478	1.0
137.02438	0.7
141.01860	0.3
149.02356	2.5
150.03004	0.4
150.41393	0.3
151.00288	1.4
160.01706	0.3
161.04578	0.4
164.04750	1.4
164.98204	0.5
165.01932	0.3
175.67830	0.3
177.01906	0.3
190.02713	0.5
190.06285	0.3
195.06619	0.3
205.05096	0.5
215.03514	0.3
221.06592	0.4
223.06125	3.6
238.39108	0.3
257.04666	0.3
268.07541	0.9
271.02478	0.4
279.06827	0.3
280.07510	0.3
283.02844	0.4
283.06592	0.2
283.09882	1.0
284.03455	0.5
284.07050	0.3
285.04230	1.8
285.07037	0.3
287.05725	0.4
296.06885	0.6
297.07794	0.4
300.02866	1.5
301.03528	1.7
308.06940	0.6
309.07745	0.5
312.06534	0.9
323.09433	1.0
324.06558	0.3
324.10028	0.9
327.08707	2.5
327.12097	0.3
338.11621	0.7
339.08789	4.2
339.12503	0.6
340.09259	0.4
342.11145	3.3
343.11569	0.4
354.11136	1.7
357.13495	13.8
358.13779	1.6
369.13486	16.1
370.13910	1.3
609.14264	4.3
610.15179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1841
Annotation	Neohesperidin
Peak:m/z	Relative Intensity
57.03339	0.6
59.01268	2.4
60.71021	0.3
61.98720	1.8
63.02278	2.9
65.00211	11.1
65.03825	0.3
66.00546	0.3
70.26099	1.0
70.26514	0.5
70.47176	0.3
71.01281	3.4
73.02837	1.3
80.02581	0.4
81.03359	0.4
83.01279	5.8
85.02837	2.2
87.00797	0.5
87.04379	0.3
89.02323	0.8
95.01299	0.6
99.00805	0.4
100.78224	0.4
101.02343	1.9
107.01297	21.0
108.02122	4.4
109.02867	0.3
112.05956	0.3
113.02349	1.5
119.03331	0.4
121.02929	0.5
123.00828	0.3
123.04430	1.6
124.01606	0.4
125.02367	4.6
131.01305	0.4
133.02890	0.5
134.03667	23.1
135.04362	1.3
136.01596	2.6
137.02362	0.9
142.18787	0.3
149.02338	0.6
149.06024	16.8
150.06395	0.6
151.00314	81.0
152.00618	2.6
153.01926	0.5
158.03708	0.8
160.01611	1.6
161.02412	0.3
161.04459	1.0
164.01108	7.2
165.01888	3.9
169.01408	1.8
173.05992	0.4
174.03181	1.1
175.00323	1.2
175.03954	3.9
176.04445	0.4
177.01909	6.1
179.03351	0.4
187.03973	0.5
191.07114	1.0
193.01398	1.4
196.00157	3.0
199.04005	1.9
200.04713	0.7
201.01993	2.1
202.02696	1.1
203.03574	0.4
205.01421	0.6
213.05531	0.5
214.06293	1.0
215.03459	0.9
215.07097	0.9
216.04268	0.3
217.01385	0.5
217.05000	1.2
227.03598	0.4
233.08220	0.5
235.02521	1.3
240.04326	0.4
241.05075	0.7
242.05910	2.0
257.04630	0.4
257.08234	2.0
259.06091	0.5
284.03293	0.5
285.04050	1.7
286.04947	2.5
287.05215	0.4
288.70496	0.4
295.04568	0.3
299.05719	0.4
300.02866	0.4
300.06268	1.1
301.07233	67.7
302.07565	5.9
325.07346	0.7
339.07236	1.0
343.08304	4.3
344.08496	0.4
403.10284	1.0
433.13431	0.5
447.12698	0.7
459.11554	10.4
460.11963	1.2
489.14352	2.7
609.18365	100.0
609.78717	1.0
610.18695	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	609.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	10.3
61.90573	1.4
61.98716	1.8
69.03330	1.3
69.95029	6.2
69.95422	2.2
71.01270	8.8
72.99207	2.1
73.02814	2.2
75.00773	3.1
83.01294	2.1
85.02826	3.7
87.00775	2.0
88.98679	2.0
89.02328	4.0
93.03338	2.5
97.02852	1.3
97.95995	1.2
99.00746	1.9
101.02321	8.0
107.01280	1.4
108.02074	2.5
109.02834	1.8
111.00785	1.7
113.02328	3.9
113.09289	1.4
117.03389	3.0
119.03383	1.6
119.04922	2.4
121.02846	3.3
123.04403	2.0
125.02370	2.9
133.02855	4.9
135.02910	2.9
135.04431	3.0
137.02415	2.5
139.00333	1.7
145.02893	1.7
149.02367	3.2
151.00311	4.7
151.03989	2.1
152.01071	3.3
161.02348	2.6
163.00327	2.3
163.03920	3.6
163.06052	3.7
164.01100	2.3
165.01836	2.1
167.03391	1.9
175.03952	2.2
177.01833	5.0
177.05615	1.6
179.03419	2.4
179.05499	1.4
180.00575	1.3
191.03410	2.1
193.01312	1.7
193.04988	1.5
195.02927	1.3
203.03445	2.8
205.01378	2.4
207.03000	5.5
219.02975	3.6
242.05890	1.5
245.25827	1.4
249.04109	3.8
253.05185	2.4
261.04150	1.5
267.06821	1.6
269.04614	2.8
281.04581	5.7
285.04117	9.3
295.06464	1.7
297.04108	5.0
298.04813	16.4
299.05521	4.2
309.04022	1.9
311.02368	1.8
311.05740	3.7
311.94336	1.3
313.03534	6.2
313.06689	2.2
314.04044	1.5
323.05731	2.0
326.04370	4.7
327.04742	10.0
330.03992	1.7
339.04871	7.1
341.06598	3.0
353.06622	2.3
356.05414	1.8
357.06082	2.7
369.06268	20.7
370.06628	2.5
381.06290	3.6
399.07346	14.1
400.07806	1.5
411.07166	3.1
429.08588	4.0
446.08493	9.6
447.09799	4.5
459.09366	3.2
471.09494	2.5
489.10483	61.7
490.10883	7.5
519.11572	13.4
520.11987	2.4
549.25507	6.3
591.13989	4.5
609.14685	100.0
610.15027	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.7
59.01265	85.1
60.01586	1.3
61.98718	1.1
63.02271	1.3
65.00206	10.2
66.67729	1.0
71.01253	3.3
72.99173	1.9
73.02856	1.1
83.01274	4.4
85.02845	1.1
86.38600	0.8
87.00771	3.3
89.02322	1.4
93.03341	1.9
95.01274	3.0
98.20611	1.3
99.00777	1.0
101.02372	1.7
107.01307	9.6
108.02141	1.0
109.02859	2.9
111.00756	1.9
113.02372	2.4
120.53761	0.9
121.02867	3.3
123.00774	3.3
123.04389	1.4
124.01563	2.1
125.02372	15.1
131.04932	1.5
133.02876	3.2
134.03618	1.4
135.03432	1.7
135.04449	29.9
136.98729	2.9
137.02356	12.4
139.00273	2.2
147.00793	2.7
147.04477	1.3
148.01572	3.4
149.02386	14.5
150.03188	5.3
151.00313	41.3
151.03917	2.0
152.00877	2.1
153.01828	1.5
159.04332	0.9
161.02374	2.8
161.04588	0.9
161.06030	1.0
163.00311	1.2
163.03906	1.1
164.01141	1.2
164.98244	11.4
165.01923	5.0
165.05481	2.5
166.99779	1.1
169.01337	1.0
175.00310	4.3
175.03864	2.1
176.01115	5.4
177.01907	11.8
183.04529	1.4
187.03978	2.8
189.05579	1.6
190.99744	1.0
191.03447	3.2
192.00595	1.3
193.01282	2.1
193.05037	1.0
199.03947	2.2
201.02040	1.2
201.05615	1.0
203.03406	1.5
205.01596	0.9
211.04033	3.4
213.05550	1.2
214.02655	2.4
215.03430	4.2
216.04276	1.0
223.06099	2.5
226.02715	1.1
227.03593	2.4
228.04156	0.8
229.01514	1.0
229.05013	2.6
229.68015	0.9
230.02199	1.0
231.03052	1.9
233.04633	2.0
233.06677	2.9
239.03603	6.4
243.02921	1.8
255.03082	6.2
256.03818	4.5
257.04608	7.4
259.02512	1.5
269.04626	2.8
271.02509	3.3
272.03210	4.4
273.03973	3.7
283.02603	7.6
283.09738	1.0
284.03290	2.0
285.04080	2.5
287.05695	11.5
299.01978	2.8
300.02811	48.9
301.03601	60.6
302.04019	4.3
303.05093	2.3
324.10172	1.0
327.08954	2.8
339.08691	2.5
342.11044	4.1
343.04538	2.1
346.14175	1.3
354.11258	1.5
357.13449	11.6
361.16733	8.3
369.13470	10.4
370.13742	1.1
397.13260	1.1
418.45923	1.0
447.11191	1.1
463.09302	2.2
473.09259	1.6
532.42810	1.1
565.15729	3.2
581.15173	1.6
591.13495	1.8
609.14691	100.0
610.15289	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.0
58.00461	0.7
58.51157	0.6
59.01266	8.9
61.98712	6.8
63.02284	1.7
65.00198	6.1
67.01767	1.1
69.52601	4.7
71.01269	6.3
72.99196	1.1
73.02833	1.5
75.86466	0.6
81.03367	0.9
83.01279	3.7
85.02829	1.9
86.25594	0.6
87.00768	1.0
89.02340	3.4
89.40470	0.6
90.94481	0.7
91.06775	0.6
93.03362	3.9
95.01283	1.5
97.02785	0.7
98.20564	1.3
99.00755	1.7
101.02338	4.1
103.03913	1.6
107.01295	9.9
108.02100	0.6
109.02856	2.7
110.00043	0.6
111.00790	6.7
113.02352	2.2
115.05445	2.7
117.03365	2.1
119.03446	0.8
119.04936	0.9
121.02869	2.8
123.00843	1.7
124.01574	0.7
125.02367	5.1
131.04974	1.0
133.02843	1.4
133.06519	5.7
134.03674	1.8
135.00777	2.1
135.04445	1.6
136.01555	1.2
137.02347	4.7
139.00310	12.1
139.03847	0.7
141.01894	0.8
145.02849	0.7
147.04475	2.0
148.01601	0.9
149.02376	7.4
149.06001	0.8
150.03098	2.4
151.00311	33.0
152.00946	2.4
153.00656	1.0
153.01878	17.9
157.06493	1.0
158.03674	1.5
159.04466	11.9
161.02423	1.7
161.04546	1.1
163.00330	9.1
163.03888	0.7
164.01031	1.2
165.01834	2.7
165.05569	3.0
165.06757	0.6
169.01346	1.8
173.02365	1.0
174.03221	0.6
175.00346	1.4
175.03947	1.9
177.01852	2.3
177.05617	1.0
178.48152	0.6
178.99818	10.4
180.04163	0.7
181.01376	8.5
183.04486	1.0
185.02419	2.9
187.03951	0.8
188.04808	0.8
190.02644	0.9
191.03456	1.9
192.00609	11.6
193.01373	10.6
193.04994	1.4
195.02997	1.6
195.06544	1.6
199.04010	1.3
201.01891	0.7
203.03534	4.5
205.01454	1.4
206.99353	13.3
207.02896	1.2
208.00026	2.6
211.04039	0.8
215.03430	2.5
216.04109	0.8
217.05061	0.9
223.06071	1.5
224.06374	0.7
227.03505	5.0
228.04248	1.1
229.05035	1.9
231.02843	1.2
233.04425	1.1
235.02483	1.1
239.03557	1.4
243.03082	3.0
245.04517	1.1
255.02989	10.5
256.03699	3.0
257.04596	8.7
258.04984	1.3
262.61734	0.6
268.03787	2.0
269.04575	3.4
271.02551	4.2
272.03162	5.4
273.03995	2.1
283.02582	8.5
284.02936	1.1
285.04132	2.8
293.04593	5.6
297.75504	0.7
299.01959	2.0
300.02817	49.0
301.03568	39.7
302.04056	3.1
311.05603	0.8
341.08954	0.9
343.04492	1.5
361.16687	2.3
383.07709	4.6
395.37686	0.7
397.13501	0.7
445.07455	0.7
447.11584	5.4
459.11633	6.4
461.13019	2.2
463.08646	1.7
487.11017	5.3
489.12628	15.9
490.12674	1.2
501.12552	9.1
502.12738	1.5
516.11377	5.5
547.14520	9.6
565.15491	1.2
565.36005	1.9
566.35681	0.7
581.15381	1.8
591.13666	2.5
609.14661	100.0
609.25470	22.4
610.15302	16.2
610.25635	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	608.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27263	0.1
57.03349	0.2
58.51257	0.1
59.01263	2.9
61.98715	100.0
62.98410	0.2
69.22668	0.8
69.23096	0.7
71.01268	1.0
72.99218	0.3
73.02839	0.4
75.00760	0.2
80.96433	0.6
83.01283	0.3
85.02866	0.4
85.23495	0.1
87.00774	0.2
88.98701	0.6
89.02344	0.3
93.03367	0.6
93.17730	0.1
94.03718	0.2
94.07944	0.1
94.98009	0.2
95.01273	0.2
96.95937	0.2
101.02330	0.8
109.02893	0.3
113.02336	0.6
119.04984	0.3
121.02907	0.5
125.02367	0.6
134.03665	0.2
135.04445	0.3
137.02408	0.9
137.03333	0.1
138.02710	0.2
143.03392	0.2
151.00316	0.4
152.01059	0.2
161.02344	0.2
161.04526	0.2
163.03944	0.7
164.04340	0.3
164.98555	0.2
175.03952	0.2
177.01923	0.2
178.06363	0.3
179.06694	0.2
193.08690	0.4
217.04903	0.2
221.06960	0.1
225.00716	0.2
267.11685	0.2
269.04681	0.2
270.04831	0.2
287.05865	0.2
298.65363	0.1
382.72604	0.1
409.13156	0.2
488.33282	0.5
551.06628	0.2
567.33966	0.2
571.18347	0.2
608.37091	0.2
609.16473	0.2
609.25891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66786	0.1
59.01266	0.7
61.98717	100.0
62.98417	0.1
63.17041	0.1
64.00236	0.1
69.21901	0.1
69.22305	0.8
71.01276	0.5
78.95798	0.2
83.01311	0.1
83.52309	0.1
85.02881	0.1
87.00813	0.1
88.98706	0.1
89.02362	0.3
95.55292	0.1
99.00789	0.1
99.90847	0.1
100.23399	0.1
101.02351	0.3
101.19949	0.1
109.02837	0.1
112.81672	0.1
113.02357	0.2
118.98229	0.1
121.02819	0.1
125.02374	0.2
135.04477	0.3
137.02397	0.1
147.57909	0.1
149.06026	0.1
151.00356	0.2
161.04550	0.1
163.04001	0.1
211.13284	0.2
269.04843	0.1
271.06244	0.1
310.21262	0.1
357.38788	0.1
383.40802	0.1
397.13641	0.1
429.13574	0.1
545.17023	0.3
608.74713	0.1
609.16748	0.1
609.26715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81429	0.5
52.25024	0.5
53.24348	0.7
55.01765	1.5
57.03336	7.0
58.00482	1.2
59.01264	100.0
60.01613	1.3
60.99200	0.7
61.98712	8.8
63.43469	0.7
65.00206	0.8
68.99718	0.7
69.03337	1.4
70.92123	1.4
71.01266	21.8
71.04911	0.7
72.01630	0.7
72.99200	2.2
73.02834	7.0
73.13524	0.5
74.46216	0.6
74.91679	0.5
75.00761	1.2
80.10585	0.5
81.03373	0.8
83.01273	7.5
85.02841	13.4
86.00001	0.7
87.00775	3.9
88.98704	1.6
89.02330	6.6
89.02836	0.6
93.03374	2.7
93.06970	2.8
95.01302	2.8
96.95923	0.7
97.02865	1.8
99.00773	4.0
99.04425	1.0
101.02347	18.0
101.03009	1.1
101.21883	0.7
102.75291	0.6
107.01322	1.2
108.02097	1.1
109.02868	1.4
111.00793	1.8
113.02357	14.0
117.05503	2.4
119.03439	2.5
119.04932	1.4
121.02881	0.9
122.02425	0.9
125.02365	5.7
131.03355	0.9
134.03648	0.6
135.04431	2.7
137.02373	8.4
138.03113	0.6
139.00369	0.6
143.03435	2.6
143.10730	1.9
147.04445	0.7
149.02339	1.0
149.04301	0.5
151.00304	4.5
151.03944	0.9
152.01106	1.1
153.01927	0.9
159.02971	1.7
161.02435	1.0
161.04488	7.5
163.03973	1.0
164.04691	0.8
165.01910	1.4
167.03471	1.1
171.57863	0.5
175.03926	1.0
177.01955	1.1
179.05649	0.9
179.07095	0.8
191.10756	0.8
209.11786	7.6
211.17082	0.7
223.06026	1.3
229.18097	9.5
230.18513	0.8
252.04260	1.4
260.22458	0.6
267.06738	2.4
269.04666	2.6
270.05148	0.8
271.06210	2.8
283.06293	1.1
284.03149	0.6
329.27554	0.7
359.14957	0.9
359.28052	2.6
373.22351	7.3
374.22580	1.3
385.12970	0.7
391.23465	10.6
392.23822	0.8
397.13641	5.4
401.14883	0.7
415.14664	2.7
485.31506	1.0
487.09961	1.0
503.32391	92.1
504.32755	14.5
521.33417	25.9
522.33954	3.6
547.31567	1.4
563.34460	7.1
564.34955	1.7
565.32617	0.7
576.89429	0.7
579.17462	1.9
580.17987	0.8
607.18152	1.4
607.26422	1.0
607.34979	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	607.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
56.76917	0.2
57.03339	0.6
59.01264	18.5
61.98717	2.0
64.17130	0.2
68.99699	0.3
69.03352	0.3
69.60460	0.2
71.01270	4.4
71.25854	0.4
72.99200	0.3
73.02841	1.0
75.00764	0.7
83.01274	1.2
85.02845	2.3
87.00786	0.4
89.02345	0.6
95.01257	0.5
96.95934	0.4
97.02856	0.6
99.00749	1.0
101.02348	2.5
109.02894	0.5
111.00751	0.2
113.02361	2.1
119.03450	0.3
121.02865	1.0
125.02338	1.8
125.79874	0.2
126.02677	0.2
129.01817	0.2
131.03404	0.2
135.04446	7.0
136.04759	0.4
137.02382	0.5
143.03484	0.5
149.05919	0.3
161.04532	1.9
161.05769	0.3
163.03954	55.2
164.04294	2.3
177.05586	0.4
178.06311	61.6
179.06665	3.0
179.10690	2.5
193.08676	100.0
194.09009	5.1
203.10936	0.3
223.09714	0.4
251.86475	0.2
287.07819	0.6
375.24121	0.4
383.13986	0.3
403.17670	0.7
487.32861	7.0
488.33154	0.5
505.33786	2.4
547.35077	0.8
563.26691	0.3
563.34650	3.8
564.35223	0.3
607.24316	1.0
607.35095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54300	0.4
55.68526	0.5
57.03334	1.7
59.01261	18.0
60.01566	0.5
60.37300	0.4
64.54697	0.5
71.01268	9.7
71.51629	0.9
72.99204	0.9
73.02838	0.9
78.81467	0.6
78.95805	0.6
83.01326	0.7
85.02839	10.8
87.00749	1.1
89.02332	11.5
96.04440	1.3
101.02341	7.0
103.03916	15.3
113.02349	4.8
119.03418	4.2
125.02328	0.7
131.03418	0.8
143.03433	0.7
145.05022	0.6
161.04555	0.7
179.05579	1.6
181.27182	0.5
196.61902	0.5
208.23354	0.5
261.35907	0.5
265.09332	100.0
266.09680	6.6
315.07248	0.9
358.66779	0.6
473.67194	0.6
553.29724	0.6
607.14807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.1
58.39132	0.1
59.01264	3.4
61.71748	0.1
61.98710	1.5
69.58107	1.1
71.01270	1.5
72.99185	0.5
73.02824	0.7
75.00742	0.2
83.01280	0.4
83.04891	0.2
85.02853	0.7
87.00789	0.4
88.98701	0.3
89.02325	0.5
93.03358	36.0
94.03678	1.1
95.01306	0.3
99.00800	0.8
101.02329	1.1
108.02081	0.2
113.02353	0.8
119.04975	0.2
121.02849	0.3
125.02322	0.3
127.04028	0.2
128.03552	0.1
135.04445	0.4
136.03954	0.2
137.02374	100.0
138.02708	3.6
148.60063	0.2
149.02345	0.3
149.06046	0.2
151.00249	0.2
152.01067	0.2
161.04518	0.2
163.03946	2.5
164.04649	0.2
178.06294	2.4
179.07004	0.2
190.02728	0.2
193.08685	2.0
223.06325	0.2
269.04565	0.2
281.85480	0.1
284.03561	0.4
287.22433	0.2
299.05704	0.4
309.04260	0.1
327.08887	0.2
340.06985	0.2
345.53055	0.1
355.08502	0.2
359.28287	0.2
369.09738	0.2
370.10629	0.7
382.63654	0.2
385.12833	1.2
434.23840	0.2
449.91266	0.2
469.17224	0.1
487.18381	0.4
503.32272	0.5
547.18341	0.4
607.20490	2.4
607.34741	0.3
608.20862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17393	0.1
55.01775	0.4
57.03331	0.6
58.00476	0.1
59.01266	5.6
59.82935	0.1
61.98710	0.6
65.00215	0.2
66.88718	0.1
69.03331	0.2
70.56668	0.1
70.56996	0.4
71.01266	4.3
72.99189	0.6
73.02835	1.8
73.41898	0.1
75.00751	0.2
83.01269	0.9
85.02845	2.3
87.00776	0.5
89.02341	0.8
89.03887	0.2
91.01786	0.3
91.05428	0.5
93.03360	0.4
95.01302	0.5
97.02879	0.3
99.00776	1.0
101.02345	3.6
106.25425	0.1
108.02130	0.2
111.00797	0.2
113.02356	3.0
113.03156	0.1
117.03372	0.7
119.01313	0.7
119.03423	0.2
119.04915	0.6
121.02869	6.9
122.03181	0.3
125.02378	0.4
131.03438	0.2
132.02071	1.0
135.04465	0.7
137.02374	0.2
139.03883	0.1
143.03453	0.4
145.02902	0.1
147.00812	0.4
147.04445	3.1
149.02380	50.3
150.02730	1.9
151.00331	0.1
152.01082	0.4
156.50755	0.1
159.02974	0.2
161.02368	0.2
161.04506	1.7
162.42787	0.1
163.03983	1.1
164.04739	43.5
165.01923	0.2
165.05074	1.8
167.11681	0.1
169.05000	0.2
175.00320	3.3
176.00826	0.1
178.06351	0.3
179.03354	0.2
179.05504	0.3
179.07083	4.6
180.07402	0.2
190.02690	8.2
191.03036	0.4
193.01414	0.4
193.08685	0.3
205.05045	10.4
206.05388	0.5
208.03790	1.6
209.04280	0.2
223.06120	100.0
224.06438	6.3
269.10379	1.1
283.06363	0.1
293.04620	0.3
353.10770	0.1
359.27963	0.3
383.13632	1.3
400.37173	0.1
401.14633	2.0
431.09814	0.1
503.32407	3.4
504.32465	0.3
521.33521	0.8
539.76508	0.1
563.34845	0.3
607.20422	4.5
607.30267	0.3
608.20978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17393	0.1
55.01775	0.4
57.03331	0.6
58.00476	0.1
59.01266	5.6
59.82935	0.1
61.98710	0.6
65.00215	0.2
66.88718	0.1
69.03331	0.2
70.56668	0.1
70.56996	0.4
71.01266	4.3
72.99189	0.6
73.02835	1.8
73.41898	0.1
75.00751	0.2
83.01269	0.9
85.02845	2.3
87.00776	0.5
89.02341	0.8
89.03887	0.2
91.01786	0.3
91.05428	0.5
93.03360	0.4
95.01302	0.5
97.02879	0.3
99.00776	1.0
101.02345	3.6
106.25425	0.1
108.02130	0.2
111.00797	0.2
113.02356	3.0
113.03156	0.1
117.03372	0.7
119.01313	0.7
119.03423	0.2
119.04915	0.6
121.02869	6.9
122.03181	0.3
125.02378	0.4
131.03438	0.2
132.02071	1.0
135.04465	0.7
137.02374	0.2
139.03883	0.1
143.03453	0.4
145.02902	0.1
147.00812	0.4
147.04445	3.1
149.02380	50.3
150.02730	1.9
151.00331	0.1
152.01082	0.4
156.50755	0.1
159.02974	0.2
161.02368	0.2
161.04506	1.7
162.42787	0.1
163.03983	1.1
164.04739	43.5
165.01923	0.2
165.05074	1.8
167.11681	0.1
169.05000	0.2
175.00320	3.3
176.00826	0.1
178.06351	0.3
179.03354	0.2
179.05504	0.3
179.07083	4.6
180.07402	0.2
190.02690	8.2
191.03036	0.4
193.01414	0.4
193.08685	0.3
205.05045	10.4
206.05388	0.5
208.03790	1.6
209.04280	0.2
223.06120	100.0
224.06438	6.3
269.10379	1.1
283.06363	0.1
293.04620	0.3
353.10770	0.1
359.27963	0.3
383.13632	1.3
400.37173	0.1
401.14633	2.0
431.09814	0.1
503.32407	3.4
504.32465	0.3
521.33521	0.8
539.76508	0.1
563.34845	0.3
607.20422	4.5
607.30267	0.3
608.20978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1685
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.50309	0.4
57.03363	0.4
59.01263	2.3
61.98769	1.6
65.00259	0.5
68.45507	0.4
68.70861	0.3
69.26003	3.3
69.26427	0.9
71.90372	0.4
72.99223	0.5
73.02892	0.7
76.81728	0.4
83.01305	0.5
85.02882	0.6
88.98740	0.7
89.02373	1.0
98.34719	0.4
101.02412	0.8
107.01321	1.1
108.02119	0.6
109.02868	0.5
113.02374	0.7
117.03397	0.4
122.02501	0.5
125.02409	1.6
134.03697	0.5
135.04504	0.6
149.02432	1.3
149.04663	0.4
151.00298	2.7
161.02422	0.4
163.04065	0.5
164.04848	0.5
173.02484	0.5
183.04538	0.6
191.03668	0.4
193.38170	0.4
211.04005	0.8
212.07253	0.6
223.06142	1.4
227.03658	0.6
239.21179	0.5
240.05324	0.6
255.03036	42.0
255.07640	1.4
256.03616	5.3
268.03934	1.3
269.04599	4.7
270.05014	0.6
271.06174	0.8
272.45294	0.4
281.04791	1.2
281.09335	0.6
283.02563	19.5
283.07401	1.3
284.03326	78.0
285.03918	10.9
291.06952	0.5
295.07294	1.0
297.00714	0.6
297.04108	13.6
298.04868	12.7
299.05679	100.0
300.06046	6.8
301.10892	0.4
309.08881	1.2
315.09918	1.5
323.05786	0.6
327.10056	0.6
328.05945	1.0
329.06461	0.6
337.08286	1.5
341.06549	0.9
359.14917	0.7
369.06238	0.8
369.10861	0.9
427.10468	1.0
443.09729	1.0
461.10782	0.5
575.18091	0.6
579.17004	1.2
607.16510	93.1
608.16888	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	605.242
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.51922	0.4
60.20689	0.3
64.42725	0.4
66.29099	0.4
69.88408	1.8
80.90038	0.4
85.92686	0.4
106.06469	0.4
131.78140	0.4
207.87613	0.4
266.01190	0.4
416.16406	0.4
429.17416	0.4
430.18314	1.6
443.19290	0.5
444.19049	0.6
457.20413	1.2
459.18042	2.7
460.18347	0.7
461.23343	0.6
470.21259	0.5
471.18451	1.2
472.19067	0.5
473.19873	4.7
474.20096	0.6
485.19135	1.3
485.23712	1.2
486.20828	3.7
487.21317	1.5
496.19067	0.9
499.17938	2.0
501.23856	3.3
502.21338	0.5
511.21451	2.5
513.19464	2.8
514.20111	9.2
515.20544	1.1
518.19653	1.7
528.21942	0.9
529.22565	100.0
530.22906	17.0
530.31049	0.5
532.21216	1.5
533.21893	2.6
561.25000	0.7
573.21393	1.9
605.24298	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1894
Annotation	Pinocembrin 7-O-neohesperidoside 6''-O-acetate
Peak:m/z	Relative Intensity
55.01778	0.4
56.58019	0.2
57.03333	0.9
58.00491	0.4
59.01265	14.1
60.01613	0.3
61.06779	0.3
61.51439	0.2
61.98719	2.1
63.02277	1.0
65.00211	5.4
67.01781	0.8
68.99721	1.3
69.03339	0.3
69.54677	2.1
70.02850	0.4
71.01267	6.0
72.99182	0.7
73.02842	1.8
75.00760	1.2
81.03377	0.3
83.01279	4.5
85.02858	2.3
87.00781	1.4
88.98694	0.6
89.02332	1.9
93.03370	0.4
95.01306	0.6
96.95901	0.7
98.95518	0.5
99.00772	0.7
99.15988	0.3
101.02340	3.6
102.01880	0.3
103.00278	1.7
103.03954	0.5
107.01299	5.8
108.02071	0.8
109.02903	0.6
111.00727	0.3
113.02355	2.6
114.01889	1.7
117.03368	0.5
119.03362	0.4
119.04956	0.7
123.00830	0.4
125.02359	2.9
127.05441	0.4
131.03424	0.4
133.02901	1.3
134.03679	0.3
135.04419	0.3
136.01599	0.5
137.02361	0.7
137.06050	0.3
141.07022	0.8
142.07097	0.3
143.03452	0.3
145.06537	5.4
147.04428	0.5
149.02367	0.3
149.04596	0.4
151.00317	14.7
152.00702	0.5
155.08633	0.4
156.17088	0.3
161.02312	0.3
161.04466	0.7
163.00282	0.3
164.01120	1.0
165.05498	0.4
167.04950	0.2
167.08635	0.3
169.01285	0.5
169.06531	3.4
171.04472	10.0
171.05940	0.6
172.05269	1.9
175.00336	0.3
177.01903	0.9
179.05608	0.4
183.08150	2.2
183.09666	0.4
183.10216	0.4
185.06009	0.4
187.07620	4.3
193.04980	0.6
197.02783	0.4
209.11876	0.4
211.07642	10.3
211.09637	0.6
212.08009	0.5
213.05545	4.8
214.05928	0.3
221.08273	0.6
221.10228	0.4
225.05692	0.6
226.06349	0.6
227.07173	0.9
232.06180	0.9
233.06602	0.3
237.05646	0.5
239.07292	0.6
253.05043	0.7
254.05818	0.5
255.06667	100.0
256.07010	7.4
267.06610	0.8
269.08075	0.4
269.14032	0.9
279.06647	1.5
281.08182	0.5
287.22357	1.1
293.04636	0.7
297.07736	1.6
309.07849	0.3
311.09253	0.3
339.08603	0.3
353.14639	0.8
372.08084	0.3
383.11279	0.6
399.10916	0.5
401.12631	0.9
401.25595	0.5
442.15732	0.5
443.13544	2.5
459.12735	0.6
464.25034	0.3
501.30774	1.2
545.17206	2.6
545.29578	4.4
546.16571	0.4
546.30182	0.5
561.23859	0.5
563.17920	4.5
563.30762	3.1
569.22223	0.3
582.49036	0.3
604.20386	0.3
605.18945	68.7
606.19214	11.6
606.26971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.1
57.03337	1.0
59.01271	5.3
61.98719	1.1
64.97755	0.6
65.03844	2.2
66.98750	0.6
67.01795	1.0
69.79445	3.2
71.01276	2.3
73.02824	1.3
83.01277	8.8
87.00744	0.6
89.02348	0.7
91.05428	8.5
93.03360	2.8
98.19851	0.7
99.00771	1.2
101.02349	5.1
102.32346	0.6
108.02100	1.4
109.02859	30.1
110.03200	1.3
113.02418	1.1
119.04885	0.7
121.02864	21.9
123.04490	0.8
125.02367	1.0
127.00285	5.1
133.02863	1.3
134.03664	1.3
135.04448	86.3
136.04779	4.6
137.02452	0.6
147.04439	9.3
148.01599	1.1
148.05281	2.8
149.06010	3.8
152.01088	0.9
159.04506	1.0
161.02390	5.8
161.05998	1.0
163.03996	0.6
163.10587	0.6
167.07051	1.3
173.06058	1.4
174.03189	4.3
175.03975	1.7
175.07642	1.7
187.03964	1.7
188.04782	5.2
189.05415	1.2
190.06319	7.3
191.07080	3.4
193.08679	5.5
199.07582	0.8
201.05615	0.9
203.07121	34.9
204.07500	2.1
205.08722	1.4
217.08678	17.7
218.09035	1.7
220.03769	3.4
225.09328	1.2
229.08713	6.2
230.09207	0.7
251.07144	1.1
253.05072	1.3
254.05832	0.9
255.06526	0.8
267.06699	0.8
269.04910	0.8
269.08295	1.8
270.09000	1.4
273.94919	0.7
283.02661	0.9
284.03378	2.0
296.07047	3.0
297.11420	0.7
298.04648	0.9
299.05551	2.0
315.12457	21.8
316.12802	2.3
321.11301	1.7
339.12439	100.0
340.12775	11.1
357.13562	4.3
358.13831	0.8
459.16812	1.0
461.10962	1.9
483.16412	0.8
503.11554	1.1
516.20752	0.7
520.41736	0.6
543.18817	21.6
544.19141	4.4
545.29639	1.4
561.19708	1.2
605.18872	23.1
606.19281	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	605.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80350	0.7
59.01237	1.4
59.35525	0.6
61.98709	1.5
65.00213	3.8
71.01285	0.7
83.01266	1.0
86.87833	0.6
88.87942	0.7
93.03365	4.2
96.95927	1.3
99.69759	0.6
103.05440	0.7
105.06984	0.7
107.04929	2.0
108.02082	4.1
109.02858	2.1
119.04917	2.0
121.02882	1.6
123.04451	4.1
129.06982	1.3
131.04926	2.5
133.02869	9.8
135.04440	1.1
147.00818	0.8
147.04359	1.5
148.01566	1.6
149.02367	4.1
149.06024	3.4
151.00301	1.3
155.04886	1.0
157.02855	1.1
157.06572	0.6
159.04381	1.0
161.02390	2.7
163.00301	1.1
165.53835	0.8
171.04451	1.4
173.02432	1.1
173.06046	2.7
175.00298	0.8
175.03938	5.2
177.01878	2.2
189.05573	1.3
197.06020	1.4
198.03183	1.1
199.03986	7.7
201.01915	11.0
203.03583	1.1
207.08195	0.8
209.06096	1.1
209.09839	0.7
213.05545	1.0
215.03336	0.7
216.04248	1.0
217.05055	9.4
220.08800	0.8
221.09744	0.7
223.07573	2.5
225.09276	0.8
227.03441	0.8
233.09605	0.8
235.07664	1.0
237.09338	3.2
240.04176	1.0
241.05072	2.7
243.03021	1.3
247.07588	1.2
251.74704	0.6
253.08636	1.1
261.09204	1.5
262.06378	0.7
263.07162	1.5
265.08844	0.8
267.10251	0.7
277.08774	1.0
285.04065	3.9
287.10516	0.7
289.08609	0.9
291.10245	0.9
297.04053	1.1
303.10477	1.0
305.08282	1.7
307.09702	1.4
309.04092	0.9
311.05670	0.7
317.04501	0.9
333.07651	1.8
335.05615	2.6
335.09357	1.4
336.06186	1.1
347.09195	2.0
349.07181	2.6
350.07721	1.2
351.08804	22.6
352.09113	1.5
354.91324	0.7
361.07663	1.0
363.08707	0.9
368.05255	1.3
372.97324	0.7
375.08838	7.1
376.09430	0.7
387.08990	1.2
389.10449	1.8
453.09656	1.3
467.11307	6.3
469.12961	20.1
470.13443	3.5
481.12994	12.6
482.13644	4.4
497.12582	0.9
499.14050	2.2
511.14191	3.2
569.35876	0.7
578.82434	0.8
605.18280	100.0
606.18555	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.9
57.03328	0.9
59.01264	8.7
61.98739	0.8
69.03338	1.4
69.61794	3.9
71.01266	12.9
71.04902	2.6
72.99200	2.1
73.02843	2.1
75.00765	2.8
81.03336	0.6
83.01270	1.1
85.02843	8.0
87.00768	3.3
88.03932	1.8
89.02331	3.4
92.61127	0.5
93.03374	2.6
95.01276	3.0
96.95881	0.6
97.02839	0.6
97.15208	0.6
99.00790	2.9
99.04423	1.2
101.02335	3.6
103.00286	0.8
108.02074	53.6
109.02879	28.0
110.03214	0.8
111.04417	0.8
113.02347	8.8
116.07079	0.6
121.02891	1.7
123.00780	1.2
123.04436	1.1
125.02359	2.1
129.05376	0.6
131.03426	1.2
133.02824	3.3
135.00810	3.7
137.02359	3.6
146.08171	13.9
149.02379	1.2
149.04469	1.1
150.23457	0.7
151.00185	0.6
151.03992	2.7
152.01091	72.9
153.01878	35.2
154.02228	1.1
160.55733	0.5
161.04478	1.3
163.04042	2.8
165.01868	2.6
176.01129	1.6
177.01889	30.7
178.02295	1.0
179.03468	0.9
191.03618	0.5
193.04987	0.7
195.02878	0.6
200.09253	0.9
218.10309	1.7
219.02904	0.8
225.04031	0.6
249.06194	1.2
258.78030	0.6
267.07266	17.4
268.07541	0.9
291.07324	1.7
315.07278	100.0
316.07590	7.3
335.06384	4.3
339.07272	40.0
340.07584	3.1
353.06818	1.2
383.06235	36.4
384.06546	2.3
401.07312	22.3
402.07675	2.0
429.10815	0.6
447.11423	2.7
476.56049	0.6
495.84238	0.7
605.17133	14.3
605.26587	0.7
606.15375	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	604.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.7
59.01256	2.5
69.03337	4.1
69.35378	1.8
69.35786	7.9
70.02863	1.9
71.01268	3.5
73.02841	1.0
75.00751	1.2
85.02844	40.0
85.03362	2.0
86.03182	1.1
87.04401	5.8
89.02390	1.0
94.02873	1.3
96.00799	1.0
96.04449	100.0
97.02827	5.8
97.04784	2.5
98.02384	2.1
99.00793	4.2
101.02332	1.0
109.02927	1.1
110.02309	1.3
111.04451	1.4
112.03940	2.2
113.02382	1.3
114.01875	1.3
114.05540	1.5
115.03922	2.8
120.42046	0.9
126.05479	1.2
128.03476	7.4
129.01860	10.6
140.03488	3.1
141.01895	3.2
142.01416	17.6
144.02913	1.0
158.03221	2.2
158.04541	35.5
159.02919	2.9
159.05002	1.0
166.64276	0.9
172.02486	3.6
200.05641	3.3
202.03552	17.8
209.30232	1.0
218.06693	3.9
219.05122	4.2
219.92094	1.0
220.17523	0.9
262.05728	64.8
263.05914	2.9
318.87994	1.0
341.11130	2.7
595.80743	1.2
614.30890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.0
60.98893	1.2
60.99191	16.3
61.98707	0.9
68.92956	0.6
70.68477	1.4
87.00764	3.6
88.00306	5.4
88.01125	0.6
88.98698	100.0
89.02336	32.6
89.99053	1.0
90.02687	0.8
97.94530	0.6
104.79977	0.7
108.84839	0.7
109.02997	0.7
224.36003	0.7
277.21796	1.1
553.77899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43599	0.1
57.03329	0.1
59.01261	1.9
61.98716	100.0
71.01275	0.7
71.52566	0.3
73.02856	0.3
74.79712	0.1
85.02843	0.4
87.00793	0.2
87.34268	0.1
89.02344	0.3
96.95933	0.3
101.02373	0.3
109.02874	0.2
113.02359	0.4
125.02405	0.4
161.02423	0.2
161.04601	0.2
171.10258	0.5
182.81628	0.1
191.86813	0.2
192.66739	0.2
197.11742	0.2
211.13428	0.2
248.80762	0.1
253.09395	0.5
291.19843	0.4
309.20767	1.2
330.25137	0.1
352.05188	0.2
379.11761	0.2
380.12289	0.7
381.12628	0.6
382.13058	0.3
542.17877	0.2
543.18237	0.5
544.18146	1.7
569.17316	0.2
603.35309	0.2
604.20612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16925	0.4
59.01260	3.5
60.99188	14.2
67.72299	0.4
71.01260	0.9
71.52113	0.7
77.78183	0.4
78.95780	0.4
86.40057	0.4
87.00771	7.9
87.99763	0.7
88.00298	13.0
88.01122	1.4
88.98699	95.7
89.02335	100.0
89.99046	0.8
90.02686	1.8
96.02166	0.4
125.15599	0.4
179.86824	0.4
192.71123	0.4
265.09485	0.6
277.21838	2.8
278.22107	0.6
373.71295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98671	0.2
57.03348	0.3
59.01266	2.5
61.98720	0.9
71.01227	1.0
72.99200	0.3
73.02855	0.6
75.00754	0.3
78.95802	0.5
83.01318	0.4
85.02885	0.5
85.55912	0.2
87.00804	0.4
88.98744	0.2
89.02369	0.7
93.03351	0.4
95.01302	0.2
96.95914	6.3
96.96889	0.6
98.12466	0.2
98.95492	1.0
99.00805	0.4
101.02344	1.1
107.25432	0.2
109.02898	0.8
113.02383	0.7
114.01919	0.4
119.04958	0.2
121.02914	0.7
125.02359	1.5
133.02844	0.9
134.03662	0.2
135.04408	1.0
139.03943	0.2
145.02940	0.2
147.04491	0.3
148.01625	0.7
149.02402	0.9
150.03168	0.4
151.00299	0.3
161.02409	0.4
161.04553	0.5
163.04041	0.2
175.04013	0.5
177.01933	0.5
185.06071	0.2
187.07700	0.2
189.01968	0.3
199.07661	0.4
201.01982	0.4
201.05487	0.2
202.02805	0.2
203.03429	0.3
205.05209	0.2
207.03008	0.2
213.05649	0.3
214.02689	0.3
215.03494	1.2
223.13623	0.2
225.05760	0.2
227.03471	0.7
239.07211	0.6
241.05109	0.5
245.11452	0.2
250.06424	0.2
251.07259	0.5
251.84624	0.2
253.05051	0.5
254.05879	0.3
255.06673	0.6
261.61758	0.2
265.05185	0.3
266.05817	0.2
267.06644	1.0
269.04544	0.4
269.08218	0.3
271.06320	0.3
277.05301	0.3
279.06696	0.7
281.04611	0.4
282.05347	0.2
283.06186	1.4
285.08179	0.2
289.10880	0.3
291.06656	0.3
293.04825	0.4
294.05475	0.5
295.06174	1.3
297.04041	0.2
298.04849	0.7
305.04990	0.3
307.06155	0.4
309.04037	0.5
309.07565	0.3
310.04871	0.7
311.05649	4.6
312.06302	0.6
313.07236	0.4
315.12503	0.3
321.04160	0.2
322.04938	0.4
323.05655	11.9
324.06161	1.3
325.07297	0.6
335.05682	5.4
335.08807	0.2
336.06143	0.5
337.07355	0.3
337.10867	0.3
339.12500	0.4
341.06754	6.4
341.13492	0.2
342.07144	0.5
351.08832	0.8
352.09717	0.2
353.06729	11.6
354.07224	0.9
355.11975	0.4
363.08664	0.9
364.09195	0.2
365.10358	3.2
367.11871	0.3
377.10428	2.4
378.11038	0.2
381.09628	1.4
391.11856	0.3
393.13397	0.3
395.11380	3.1
396.11835	0.5
407.11176	0.2
409.12796	0.5
410.13748	7.2
411.14255	0.9
412.99829	0.2
413.16412	0.3
421.13129	0.3
422.13773	4.8
423.14551	2.4
425.11932	0.2
439.13889	0.5
440.14841	46.7
441.15408	11.2
442.16092	0.5
483.16681	0.5
559.18787	0.3
585.19751	0.3
602.36536	0.4
603.20905	100.0
604.21222	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	603.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	9.1
61.98719	4.4
63.08561	0.6
65.03836	1.0
71.01259	2.7
71.21522	0.7
71.52411	1.0
73.02847	0.7
75.00740	0.7
83.01272	1.1
85.02821	1.2
88.98688	1.4
89.02363	0.6
91.05434	5.1
93.03355	1.9
99.00796	0.9
101.02372	1.3
107.95168	0.6
108.02089	1.3
109.02863	12.5
121.02860	7.2
125.02380	2.2
133.02849	1.1
135.04445	49.7
136.04761	2.6
136.98143	0.7
137.02351	2.3
143.03479	1.3
147.04433	1.8
147.96617	0.8
150.02975	0.8
151.03935	2.6
160.35037	0.7
161.02345	1.3
163.03918	2.6
175.03966	2.8
187.04010	0.8
191.07103	2.4
192.07753	0.7
203.07051	1.7
204.07925	7.8
205.08673	3.1
206.09450	9.4
207.10078	1.3
217.08688	1.3
218.09480	8.0
219.09972	1.0
220.07307	0.7
226.45078	0.8
231.10262	5.1
233.11838	8.3
271.06073	1.7
297.07715	1.8
315.12433	2.0
322.12173	1.1
323.12900	2.6
325.10779	1.3
339.12296	0.8
340.13266	6.9
355.15570	100.0
356.15884	9.6
559.22064	1.2
603.20532	3.1
603.30817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08800	0.6
52.70599	0.6
54.08443	0.6
56.59537	0.6
57.74107	0.6
59.01000	0.8
59.01266	11.7
61.98702	2.8
64.51828	0.7
65.03836	2.5
65.53094	0.6
68.74429	0.5
69.68028	0.6
71.01278	2.5
71.54163	0.9
71.54536	0.7
73.02826	1.7
78.19064	0.6
80.29848	0.6
80.93559	0.5
84.72972	0.6
85.02836	1.5
87.00776	1.0
89.02319	0.8
91.05434	6.3
93.03337	1.6
96.95883	0.7
98.95512	0.6
101.02328	1.9
108.02071	1.2
109.02864	23.0
110.03203	1.2
113.02368	1.8
121.02874	15.3
125.02357	0.9
133.02898	0.9
135.04446	68.6
136.04749	3.0
147.04453	8.7
148.04993	0.7
149.02332	0.9
149.06012	0.8
151.00275	0.8
161.04425	0.9
161.05901	0.6
163.00323	0.8
165.12756	1.2
183.13863	3.6
187.07523	1.3
190.02692	1.6
201.09167	0.8
203.07227	0.6
205.05066	1.7
205.08696	0.9
207.10243	3.0
218.09467	3.3
219.10045	0.7
225.09174	1.4
227.07283	1.0
227.12843	1.6
231.10284	1.0
233.11855	11.5
234.12332	0.6
269.08167	4.0
325.10806	1.0
337.14536	1.1
340.13235	1.9
355.15570	100.0
356.15891	11.3
399.13242	0.6
492.25443	7.1
492.75717	3.2
503.23178	2.0
517.20959	0.7
559.21924	8.7
560.22241	1.7
603.21033	2.9
603.31055	4.9
604.31238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43029	1.6
57.03341	3.2
58.00444	1.8
59.01263	89.6
60.01545	1.9
61.98721	14.3
65.00191	1.7
65.03831	2.0
69.03381	2.4
69.32187	15.3
70.79618	1.8
71.01268	44.6
72.99201	6.0
73.02840	34.8
78.77558	1.6
83.01278	10.3
84.07341	2.1
85.02851	12.3
87.00784	5.9
88.98735	2.4
89.02348	16.0
91.05437	7.2
93.03363	4.1
95.01295	4.5
96.95921	5.8
98.20602	3.8
99.00737	3.3
99.04421	2.1
101.02345	30.3
101.02950	3.5
107.01271	2.0
107.04887	2.0
108.02074	2.4
109.02860	52.2
111.77776	2.0
113.02364	13.2
119.04945	6.0
121.02885	16.4
124.01512	2.0
125.02374	6.5
129.05547	2.0
131.03423	1.8
135.04453	72.5
147.04488	4.7
151.00323	3.3
157.83102	2.0
160.29593	1.8
161.04509	4.3
163.03828	3.2
163.85069	1.7
164.04727	2.6
165.05437	2.0
189.09181	3.0
215.10808	6.8
303.12378	5.9
322.12021	2.2
331.11920	5.2
337.14554	43.0
338.14777	4.0
355.15662	8.2
381.09750	2.0
481.37549	1.9
499.19846	12.6
499.28882	3.4
517.21002	36.8
517.28925	3.9
518.21252	4.8
559.21973	100.0
560.22614	14.9
603.20398	12.5
603.33527	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	603.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.5
59.00963	0.4
59.01263	7.6
61.98715	2.2
65.03844	2.4
67.01780	1.1
71.01273	3.9
71.54254	0.4
71.54631	0.6
72.99200	0.7
73.02835	1.6
75.00780	0.7
78.33621	0.4
78.70547	0.4
79.25923	0.4
83.01289	1.3
83.04904	0.7
85.02848	1.5
87.00780	0.7
88.98726	0.5
89.02335	1.4
91.05434	7.7
93.03358	1.6
95.01303	0.5
96.95918	7.6
99.00773	0.7
101.02370	2.1
108.02080	1.8
109.02863	23.2
110.03197	0.7
113.02342	2.1
116.92751	0.5
119.03341	0.4
119.04944	1.2
121.02873	11.4
123.04427	0.6
124.09689	0.4
125.02364	1.4
133.02893	0.7
133.06503	0.5
134.03691	2.3
135.04448	70.2
136.04759	2.5
147.04460	6.2
151.00276	0.7
152.01071	0.4
159.04457	1.6
161.04555	0.8
161.06033	0.7
162.06775	0.7
163.03995	0.7
173.05988	0.8
175.07564	0.7
177.01865	0.7
179.05669	0.6
187.07613	1.2
188.08359	2.7
193.05031	2.8
197.06042	0.5
201.09192	0.9
205.08711	0.5
207.10239	2.1
233.11858	9.0
234.12218	0.7
270.04974	0.4
281.08221	0.9
285.04190	0.5
303.12439	1.8
310.12134	0.5
322.12146	0.8
323.12830	0.4
325.10870	0.9
337.14514	1.4
355.15576	100.0
356.15955	11.6
397.16656	0.5
446.75406	0.4
499.19742	1.1
517.21008	1.2
559.22052	8.3
559.30725	0.4
560.22314	1.1
585.32849	0.4
602.36505	1.1
603.20300	1.4
603.29791	1.0
603.37433	0.7
626.87567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39856	0.3
59.01261	4.8
61.94383	0.4
61.98721	0.9
64.76680	0.4
65.03855	1.7
69.62608	1.4
69.63033	1.3
71.01270	1.4
71.46173	0.3
73.02802	0.4
91.05430	6.9
93.03361	1.6
99.00797	0.7
101.02329	0.8
108.02074	0.9
109.02863	21.1
113.02352	0.4
121.02871	10.2
123.04456	0.7
133.02859	1.3
134.03676	1.2
135.04449	73.2
136.04787	2.5
147.03299	0.6
147.04463	9.8
148.05298	2.2
160.05243	0.5
161.04515	0.4
161.06001	0.7
162.06830	1.0
163.07626	0.6
186.18391	0.3
189.91527	0.4
194.05797	0.5
207.10277	1.9
225.09367	0.8
233.09569	0.4
233.11852	7.8
234.12114	0.6
251.07083	0.6
252.07930	0.6
253.08646	0.4
254.05861	0.9
255.06642	1.4
269.08231	5.4
270.09033	2.3
283.09988	0.7
285.11282	2.2
286.11530	0.4
337.14462	0.5
355.15573	100.0
356.15906	10.9
367.55685	0.4
462.25360	0.5
499.19855	0.8
514.24414	0.4
517.20715	0.6
559.21906	8.5
560.22125	1.2
603.20612	0.7
603.34174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45081	0.7
56.16946	0.7
57.03338	1.9
59.01266	21.7
60.01593	1.3
61.01697	0.7
61.98706	4.8
71.01271	5.8
71.08157	1.3
72.99201	1.7
73.02852	1.5
83.01276	1.9
85.02871	2.0
87.00803	1.1
88.98727	0.8
89.02348	3.1
91.05431	4.0
93.03369	2.2
95.01310	0.7
96.95917	1.1
99.00793	0.9
101.02352	2.5
107.04936	1.0
109.02872	15.0
113.02364	1.8
119.04974	1.4
121.02876	8.0
125.02384	4.6
125.97512	0.7
133.02866	1.2
133.06522	0.9
133.56422	0.7
134.03629	1.1
135.04445	47.5
136.04781	2.2
137.02344	1.3
147.04471	1.9
149.02351	1.5
150.03035	1.1
151.00330	1.8
151.03941	1.6
153.01868	2.3
161.02373	2.8
161.04442	1.1
163.03946	4.2
175.03964	1.5
177.05522	1.0
187.11330	1.1
189.05589	1.4
190.02695	0.8
191.07066	1.9
192.07878	1.3
203.07155	3.3
204.07866	7.6
205.08682	5.4
206.09499	9.9
207.10083	1.1
213.09210	1.6
217.08720	1.7
218.09459	8.9
219.10036	0.9
220.07495	0.9
229.08684	0.7
230.09473	1.2
231.10239	5.4
233.11855	6.4
245.11876	0.9
255.02902	1.1
271.06165	1.6
283.02625	1.4
287.05664	1.1
297.07785	2.4
323.12830	1.9
339.12262	1.3
340.13239	8.1
341.13477	1.3
355.15582	100.0
356.15906	10.8
379.12204	1.2
444.64764	0.8
483.28610	1.0
492.25574	1.8
559.22235	9.7
560.22467	1.2
567.24957	1.5
579.17249	0.9
603.20428	7.0
603.35382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
59.00991	0.6
59.01260	6.8
60.96903	0.5
61.98417	0.8
61.98715	7.1
65.99719	2.0
69.03333	0.9
71.01266	5.9
71.51700	1.0
71.52071	0.6
72.99201	0.8
73.02822	2.2
73.83646	0.5
81.03339	0.5
82.02877	23.0
83.01260	1.1
83.02409	0.6
83.03212	0.6
83.52306	0.5
85.02866	2.7
87.00757	1.5
89.02340	2.6
92.84828	0.5
93.03338	1.7
94.02844	1.3
95.01266	1.6
96.04424	1.0
96.95921	0.7
97.02866	0.5
99.00768	1.9
101.02365	2.8
108.02077	27.8
109.02876	10.8
113.02333	2.2
119.03399	0.9
119.04946	1.2
121.02847	1.5
121.06553	0.6
122.03608	1.5
122.06026	1.9
123.04401	1.5
124.03928	0.8
125.02364	2.3
133.01350	0.7
133.02890	0.7
135.00807	0.6
135.04402	1.0
136.03964	1.8
137.02393	2.5
138.05537	21.9
148.03995	3.0
149.02367	0.7
149.04507	3.9
150.03113	0.7
150.05600	2.9
151.00229	0.8
151.03885	1.8
152.01093	38.0
153.01883	14.4
156.87784	0.5
161.02408	1.0
161.04674	2.4
162.05576	0.9
163.03925	1.5
164.03467	0.9
164.07085	0.6
165.01892	1.6
166.05040	0.8
174.05457	0.8
176.07104	0.8
177.01859	0.8
178.08583	0.5
179.05605	0.6
180.04242	0.7
181.05029	0.6
182.04552	0.6
188.07089	1.1
190.05107	0.9
190.08713	5.2
191.08234	1.7
195.06604	0.6
202.08722	2.4
204.06630	5.5
215.05931	0.6
215.08124	1.5
217.06198	6.0
218.06949	10.3
219.07361	0.5
227.08133	0.5
228.06633	1.6
229.06087	1.2
233.09331	28.2
234.09680	1.3
242.08202	0.7
244.09839	6.6
245.09322	10.0
246.09633	0.6
270.07797	2.7
271.08521	3.1
287.10434	20.7
288.10818	2.0
291.08789	0.7
297.06250	0.7
305.11493	1.4
313.95975	0.5
315.07297	15.1
316.07571	1.4
356.12262	0.5
369.08365	0.9
403.13956	1.0
465.12796	2.2
466.13431	0.8
559.19348	5.5
560.19360	0.9
586.15271	0.7
603.18365	100.0
604.18652	16.6
611.99152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03334	1.3
59.01263	16.4
60.01609	0.5
61.98717	4.6
67.01756	0.7
69.03344	0.5
70.89298	0.7
70.89671	0.7
71.01266	8.6
72.01627	0.5
72.99193	0.9
73.02840	3.1
75.00776	1.5
78.61910	0.3
83.01265	2.2
83.04930	0.4
85.02838	4.7
87.00751	1.9
88.98725	0.5
89.02340	2.3
93.03362	1.7
95.01277	1.2
95.04935	0.4
96.95905	2.2
99.00777	1.6
101.02340	5.4
108.02074	1.7
109.02862	4.4
113.02354	3.2
114.02676	0.4
117.05526	0.3
119.03450	0.7
119.04963	0.9
120.04475	0.4
121.02868	78.5
122.03201	3.2
123.04444	2.0
125.02367	3.0
131.03436	1.3
133.02878	15.2
134.03270	0.5
135.02919	1.0
135.04471	2.5
137.02370	0.8
139.03925	0.3
143.03389	0.8
145.02847	0.7
145.04929	0.3
147.04443	3.8
148.01579	0.5
149.02391	1.3
149.06024	1.1
150.03160	0.8
151.00308	0.8
151.03905	0.6
152.01118	1.0
153.01884	0.8
157.02908	0.9
159.02922	0.5
159.04399	0.4
160.04027	1.2
161.02385	12.1
161.04372	1.6
162.02916	0.5
163.03917	1.0
163.06139	0.7
165.05504	0.7
167.07114	0.4
170.42662	0.3
173.02356	0.8
173.06042	0.4
174.03191	1.4
175.03961	11.0
175.05498	0.6
176.04315	0.5
177.01935	0.7
179.03459	0.4
179.05505	0.4
183.06566	0.4
185.02428	0.6
187.03979	0.4
187.07510	0.5
188.04800	0.6
191.05547	0.4
193.05096	0.4
197.06285	0.4
203.07111	1.4
205.05026	0.4
211.07611	0.4
213.05574	0.5
215.07138	2.2
218.04875	0.3
220.03778	0.4
223.07744	0.5
225.05690	0.4
227.07155	0.7
233.08174	1.5
239.03349	0.4
239.07188	0.7
251.15195	0.4
253.05081	0.4
254.05840	0.7
255.06660	1.4
265.05286	0.4
266.05862	0.4
267.06665	2.4
268.04071	0.4
268.07117	0.6
271.06201	0.4
279.06677	6.4
280.07275	0.7
281.04391	0.4
283.06180	12.4
284.06595	1.4
285.04111	0.5
293.04666	1.0
294.05399	2.2
295.06326	0.7
295.09811	0.4
297.07773	3.4
297.10760	0.5
309.04218	0.4
309.11404	0.4
319.09720	0.7
322.08572	0.4
323.05472	1.6
324.06476	1.2
337.07544	0.3
337.10849	8.2
338.11475	0.7
339.08792	1.4
353.10443	0.5
355.11932	100.0
356.12247	12.3
379.12149	0.4
381.09811	0.8
382.10696	0.6
395.11597	0.8
397.12955	7.1
398.13431	0.9
399.10895	1.2
423.11139	0.7
441.12231	0.5
492.76025	0.3
521.77240	0.7
543.28534	0.6
559.18372	1.5
559.31506	0.6
602.12866	0.4
602.29346	2.3
602.79822	6.3
603.19733	1.9
603.30426	3.1
603.80371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55713	0.5
52.80474	0.5
55.01771	1.2
57.03328	3.0
59.01263	22.7
60.01585	0.7
61.98717	14.5
65.03856	0.8
68.99700	0.6
69.03339	1.0
69.41626	1.5
69.42034	3.5
71.01269	18.6
72.01619	0.9
72.99203	1.7
73.02845	5.6
75.00779	1.9
78.95782	0.8
83.01283	3.0
83.04903	0.6
85.02847	8.7
87.00778	2.8
88.98692	0.8
89.02344	3.2
93.03377	2.1
95.01299	1.6
95.04893	0.8
96.35424	0.5
96.95896	3.4
97.02888	1.2
99.00787	4.2
100.80534	0.6
101.02350	10.9
108.02079	1.7
109.02853	6.6
113.02352	7.2
113.34434	0.6
114.02673	0.9
116.92744	0.7
119.03461	0.7
119.04942	1.6
121.02874	94.0
122.03204	3.0
122.06032	0.5
123.04425	2.0
125.02377	4.8
131.03441	2.0
133.02885	14.5
134.03650	0.6
135.04451	3.0
135.08148	0.6
137.02394	0.9
143.03419	1.1
145.02858	1.3
147.04399	3.1
148.01587	0.7
149.02412	1.7
149.06068	0.6
150.03171	1.0
151.00298	1.7
151.03947	0.8
152.01073	0.9
157.02861	1.2
159.02908	0.9
161.02390	11.7
161.04463	4.1
163.03976	1.0
164.04742	0.7
165.05522	0.7
166.05112	0.7
167.03400	0.6
168.53964	0.7
169.01408	0.8
173.02353	1.5
174.03194	1.2
175.03951	9.1
177.01978	1.0
181.08742	1.0
183.10226	0.7
187.04004	0.9
189.09319	0.7
193.12477	0.7
197.11705	0.9
199.07681	0.6
203.07184	1.7
212.78615	0.6
215.07094	2.4
227.03485	0.7
227.07129	1.1
233.08377	1.3
253.05069	1.1
254.05789	1.2
255.06519	1.2
267.06705	2.5
268.03897	1.0
269.04630	1.2
271.06201	1.3
279.06659	11.0
280.07034	1.0
282.05280	0.6
283.06186	13.2
284.06625	1.7
293.04614	1.0
294.05453	2.1
295.06213	1.0
295.09589	0.7
297.07779	3.7
319.09860	0.9
337.10901	10.8
338.11261	1.4
341.10910	0.6
355.11957	100.0
356.12317	11.0
367.11392	0.7
397.13016	6.6
398.13477	1.1
408.13330	0.7
440.14197	1.0
441.15686	1.2
499.16351	0.8
543.27917	0.9
559.18555	0.7
602.29974	2.1
602.79828	8.2
603.19226	6.4
603.29010	3.8
603.80090	1.2
604.18304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.6
55.31617	0.2
57.03337	1.7
58.00484	2.8
59.01265	52.7
60.01612	0.5
61.98709	0.5
68.99715	0.3
69.03356	1.0
69.47339	0.5
69.47763	1.0
71.01270	55.0
72.01611	1.0
72.99202	4.1
73.02838	3.5
73.50860	0.2
75.00772	1.0
78.95795	0.2
81.03330	0.3
83.01277	6.6
83.01775	0.3
83.04927	0.2
84.02069	0.3
84.34296	0.2
85.02845	9.1
87.00774	17.4
89.02338	53.0
90.02692	0.6
95.01293	3.2
97.02850	1.3
99.00786	1.5
99.04417	0.4
101.02347	28.1
102.02718	0.6
107.03410	0.5
111.00791	0.9
113.02358	26.7
114.02718	0.4
115.03949	0.9
117.01881	0.4
119.03420	19.2
120.03740	0.4
125.02370	1.6
129.01880	0.8
131.03432	3.3
139.07607	0.2
141.01894	1.3
143.03439	8.9
144.03796	0.3
149.04515	1.9
155.03477	0.3
159.02901	0.6
161.04503	9.2
162.04836	0.2
167.03442	0.2
179.05576	22.1
180.05904	0.5
203.05576	0.4
205.19586	0.4
233.22772	0.5
249.06157	0.2
255.21144	0.3
259.20740	0.6
273.22284	1.0
275.20444	0.4
277.21783	100.0
278.22128	8.8
291.23355	7.8
292.23724	0.8
301.21887	1.4
319.19427	0.4
319.22861	4.3
320.23068	0.5
323.09909	18.8
323.44754	0.2
324.10269	1.3
331.22855	0.2
335.22528	0.2
341.10956	48.8
342.11310	3.4
349.23889	0.7
354.21811	0.2
373.23862	0.3
406.74722	0.2
601.32251	2.4
602.32898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	4.6
61.98711	3.0
71.01261	2.2
71.56301	1.2
72.99235	0.9
78.95798	0.9
83.01273	1.1
85.02849	0.9
89.02349	1.6
95.01294	1.3
96.95906	1.8
97.02843	1.0
101.02379	0.7
108.02094	1.6
109.02878	4.5
113.02295	0.9
121.02875	1.7
122.03672	1.0
123.00799	2.7
124.01591	5.8
125.02355	2.9
132.93352	0.8
133.02895	1.0
134.03638	0.9
135.04407	1.0
136.01558	1.3
137.02364	13.7
137.03323	1.2
139.03969	5.6
144.84204	0.8
145.47763	0.8
147.08076	2.4
149.02367	8.7
149.06003	0.8
150.03180	23.3
151.00366	1.0
151.03935	6.4
152.71825	0.9
161.02373	5.0
161.06099	0.9
162.03053	0.8
163.03923	3.0
165.05553	11.7
166.05861	1.1
171.04579	1.6
171.10260	3.8
173.06042	3.4
175.07581	5.7
175.49118	0.9
177.05540	1.2
185.06029	2.0
187.07597	13.5
188.08391	5.5
189.09180	7.4
199.07600	1.3
201.09204	18.8
202.09610	0.9
205.08696	1.1
211.13437	2.6
213.09212	4.4
220.07327	1.1
269.04721	1.2
274.76135	0.9
277.14404	1.5
283.06229	1.4
295.06299	1.7
301.10968	1.0
321.11569	1.0
337.10812	13.4
338.11670	26.4
339.12027	2.2
353.14008	100.0
354.14337	11.7
439.17627	2.4
439.30655	0.9
542.18256	2.9
557.20428	14.0
558.20856	1.7
601.22015	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	601.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	22.0
73.02840	0.6
83.60135	0.5
84.93024	0.6
93.03362	1.0
107.04929	1.3
113.02272	0.6
119.04884	0.5
126.80919	0.5
132.02089	3.6
140.87469	0.6
149.02425	0.5
164.97240	0.5
185.01741	0.5
185.05937	0.6
211.07594	0.6
215.07130	0.8
217.08638	1.4
218.30315	0.6
226.65379	0.6
227.07153	1.2
239.07060	0.8
241.05045	1.3
243.06485	0.5
245.08157	1.5
254.05791	0.6
255.06651	2.3
256.07431	1.3
267.06607	1.6
268.07413	1.3
275.11014	0.8
276.00812	0.6
285.07605	0.6
286.08609	0.9
287.10889	1.2
289.08716	1.4
294.05179	0.7
303.10284	1.5
305.04620	0.7
305.08185	0.9
305.11877	1.1
307.06161	0.8
319.09848	1.6
331.09839	1.4
332.16486	0.6
333.07684	1.7
334.08563	0.7
334.12271	0.9
335.12936	2.2
343.09811	0.8
347.09308	2.1
348.10062	6.3
349.10806	2.9
350.11523	1.1
351.12390	0.9
359.09348	1.4
360.10104	6.7
361.10858	3.4
378.11139	18.8
379.11923	78.9
380.12292	8.6
511.16028	1.2
513.17975	0.7
523.16406	1.8
541.17279	100.0
542.17590	16.8
601.22125	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
61.96837	0.4
61.98705	1.2
63.36185	0.5
65.00213	3.9
66.69264	0.4
68.99709	0.5
71.01266	0.9
79.05432	1.4
96.95926	1.6
98.20543	1.7
98.95517	0.8
101.95372	0.5
103.05412	0.9
105.07022	1.0
107.04937	3.4
108.02128	0.7
109.02856	5.4
109.06507	2.2
121.02904	0.5
125.02357	1.1
129.07010	1.3
131.04964	1.7
133.06528	10.4
134.06836	0.6
135.04408	0.6
136.01598	0.7
147.04333	0.6
151.00267	0.7
153.01880	8.3
159.04474	0.6
171.10239	3.9
171.11562	0.8
172.05241	0.9
173.05998	1.8
185.06027	0.9
186.06766	0.5
187.03990	1.5
193.18570	0.5
195.11832	0.9
197.06192	0.9
197.09682	0.8
197.13348	1.8
201.09068	0.6
211.13356	2.8
213.12820	0.7
215.03432	1.4
216.04318	0.8
217.12297	4.8
218.12651	0.5
225.09267	1.1
230.05971	0.5
239.10760	1.4
241.12364	12.6
242.05876	0.8
242.12715	1.2
243.10268	2.2
252.36990	0.5
259.13440	0.6
277.14563	0.8
285.11386	100.0
286.11740	9.8
303.12454	44.1
303.16080	1.0
304.12888	3.6
308.60220	0.6
315.07278	7.6
601.22632	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	601.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55948	0.2
57.03361	0.4
59.01264	3.8
59.88280	0.2
61.98733	0.7
70.80781	0.3
70.81100	0.3
71.01270	1.4
71.15845	0.2
72.99222	0.5
73.02842	0.4
78.78042	0.2
83.01299	0.4
85.02870	0.6
87.00798	0.3
88.68632	0.2
88.98703	0.2
89.02365	0.4
93.03386	0.3
94.27296	0.2
95.01312	0.2
96.95913	0.3
99.00795	0.3
101.02378	0.6
107.04955	0.2
109.02893	0.5
113.02381	0.5
121.02908	0.8
123.04462	0.3
125.02364	0.3
133.02892	1.4
135.04463	1.2
139.89177	0.2
147.04500	0.4
148.01599	0.9
149.02335	1.3
150.03226	0.4
161.02440	0.3
161.04587	0.3
163.03992	0.2
164.04750	0.3
172.48186	0.2
173.02353	0.3
175.03944	0.5
177.01981	0.4
187.03893	0.3
187.68996	0.2
189.01886	0.4
201.01929	0.7
201.05531	0.3
201.09186	0.3
202.02745	0.4
203.03488	0.6
207.03015	0.3
211.07588	0.3
213.09225	0.4
214.02753	0.2
215.03467	2.0
216.04198	0.2
217.08745	0.2
219.03052	0.2
223.07774	0.2
224.04875	0.2
225.05573	0.3
226.06424	0.2
227.03482	2.9
227.07117	0.2
239.07153	0.3
241.05182	0.4
243.06573	0.3
245.04614	0.2
245.08363	0.6
251.07216	0.5
253.05164	0.7
255.06647	0.7
257.08115	0.3
265.05170	0.4
267.06754	0.9
268.07593	0.2
271.09845	0.3
278.05902	0.3
279.06772	0.8
281.04617	0.7
283.06180	0.8
291.06848	0.3
293.04883	0.5
294.01810	0.3
294.05145	0.2
295.06161	1.2
296.06894	0.3
297.04147	0.4
298.04880	0.8
307.06137	0.4
309.04218	1.0
310.04855	0.8
311.05698	2.8
312.06296	0.6
313.07452	0.5
316.05881	0.2
319.09705	0.4
321.04111	0.5
322.04831	0.6
323.05640	12.9
324.06186	1.8
325.07101	0.4
328.06195	0.5
335.05707	4.3
335.09354	0.4
336.06409	1.0
339.12256	0.6
341.06702	3.6
342.07300	0.5
344.05469	0.8
349.10974	0.4
351.08789	0.3
351.12442	1.1
352.09543	0.5
353.06726	6.8
353.14026	0.6
354.07104	0.6
356.05457	0.4
363.08728	1.0
365.10403	0.6
366.11172	4.5
367.11923	3.7
368.12250	0.5
369.13498	0.7
374.06320	0.5
377.10419	0.7
378.11182	3.4
379.11920	16.6
380.12329	1.8
381.09879	0.3
391.08453	1.0
392.08694	0.3
395.11465	0.5
396.12195	19.3
397.12976	100.0
398.13330	11.1
398.18649	0.5
399.20374	0.3
405.09561	0.3
406.10883	0.4
407.11444	0.3
529.27289	0.3
541.17401	0.9
542.17261	0.4
569.16705	1.5
601.19366	44.7
602.19775	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	601.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52333	0.7
58.39843	0.7
59.01263	5.7
60.27914	0.6
61.98700	2.1
64.84501	0.6
71.01241	2.6
71.02409	0.8
71.02728	0.9
73.02832	0.7
83.01279	0.8
85.02834	1.3
87.00788	0.9
89.02335	0.9
96.95895	0.7
99.00749	0.8
101.02277	1.4
103.01854	0.7
107.13977	0.6
109.02862	0.6
112.04687	0.6
113.02355	1.0
119.04909	0.8
121.02857	1.2
125.02318	0.9
133.02834	1.7
133.06482	0.7
135.04395	0.9
139.98404	0.7
145.02768	0.6
147.04373	0.7
151.00276	0.7
152.01088	0.8
161.02293	0.7
162.03023	0.7
173.05986	0.9
175.03926	2.0
189.05510	3.9
190.06229	2.3
203.03383	1.2
205.04926	1.9
213.09184	0.7
215.03444	0.8
216.04242	0.7
217.05110	1.5
229.04996	0.7
231.02866	0.8
233.04625	0.7
233.53311	0.7
235.07474	0.7
239.03409	1.0
241.01279	0.7
251.03661	0.7
257.04480	0.7
265.08420	0.7
266.09442	0.9
267.02945	0.7
269.00818	1.6
270.01587	1.5
279.06598	0.7
283.02530	1.4
293.08200	1.1
294.08868	0.7
295.02307	1.6
295.05975	2.0
297.00479	3.4
297.03546	0.7
305.07990	0.7
307.06085	1.7
309.04071	1.3
311.02051	1.2
312.02783	1.8
319.05820	0.6
321.07690	1.5
322.08383	1.2
323.01941	2.1
323.05524	1.1
325.03586	1.2
337.07141	1.9
338.07944	4.4
339.05048	0.9
339.08746	5.8
349.07230	1.2
350.07822	2.4
350.11429	1.3
351.08603	1.8
352.09735	0.8
353.10339	2.9
363.08493	1.2
365.06589	1.6
366.07391	8.4
367.08179	11.4
368.08517	1.0
379.07883	0.8
379.11993	0.9
380.08984	1.5
381.09839	23.2
382.10516	9.7
383.11154	1.4
395.11343	3.0
396.12158	3.6
397.12985	26.2
398.13147	2.3
438.16736	1.6
531.11664	0.9
543.11511	1.1
585.16040	2.1
586.16968	8.3
587.17499	0.9
601.19281	100.0
602.19641	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	599.2514
Annotation	Malleastrone C
Peak:m/z	Relative Intensity
53.90616	0.7
57.03335	3.7
59.01262	35.6
61.98724	3.5
65.03850	4.4
67.01746	1.3
69.26105	9.3
71.01270	18.5
72.99194	1.8
73.02834	5.8
73.24947	1.0
75.00723	0.8
76.90358	0.7
79.05368	0.9
81.03348	0.9
83.01248	3.1
85.02843	6.5
87.00748	2.9
89.02335	8.2
91.05428	12.1
93.03340	3.8
94.59245	0.7
95.01273	2.5
95.39565	0.8
96.95907	1.0
97.02823	1.4
99.04408	3.0
101.02340	9.7
107.04911	1.5
108.02044	3.0
109.02861	40.2
110.03162	1.3
113.02354	5.7
117.03321	1.0
119.03406	2.9
119.04882	1.2
121.02867	21.7
123.04385	1.1
125.02376	4.1
125.03124	0.7
132.02097	2.0
133.02872	3.4
134.03651	2.1
135.04445	100.0
136.04773	5.0
137.02374	2.1
143.03476	0.9
147.04466	9.6
149.02415	1.7
149.06017	1.7
151.00360	1.3
151.03969	1.0
152.01111	2.4
159.04500	2.5
161.02333	1.1
161.04553	0.8
161.06050	1.8
163.07607	0.8
165.05589	1.0
172.05235	0.7
173.06038	2.9
175.00357	0.9
175.03932	1.0
175.07616	5.7
185.06052	1.3
187.07611	3.6
188.08372	0.8
189.09181	3.8
199.07632	2.0
200.01126	1.2
201.09196	7.3
202.09868	1.1
203.10927	0.9
213.09277	3.8
214.10008	1.8
215.03508	0.8
215.10744	2.3
217.08809	1.9
225.05609	0.9
227.07179	1.3
241.12483	1.0
243.06787	1.1
247.13506	1.1
255.06787	2.3
255.10452	0.8
255.13931	3.7
256.07541	2.4
257.08371	1.7
273.15121	4.5
275.13141	3.0
279.07028	0.8
279.14151	1.0
281.08350	2.3
281.11847	1.6
289.08984	1.0
293.04639	11.8
294.05139	1.5
305.12051	2.8
308.10574	1.0
309.11832	1.4
319.10001	1.0
323.12946	20.1
324.13547	4.2
331.10220	1.1
333.07843	1.0
347.09647	1.8
348.10083	5.6
349.10907	4.7
355.15817	1.8
359.09549	2.1
365.10754	1.9
367.12216	1.5
377.10776	3.4
377.17703	5.9
395.11816	50.6
395.19089	37.8
396.11957	6.8
396.18964	5.2
419.14966	6.9
436.15921	1.4
437.16202	8.6
438.16620	1.0
539.15668	4.8
539.22968	59.6
540.15906	1.7
540.23199	10.1
554.02185	0.9
557.24017	64.8
558.24304	9.9
599.25293	59.3
599.34076	1.0
599.36438	1.4
600.25958	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	599.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81074	0.2
52.95442	0.2
59.01262	1.8
61.98723	0.3
65.63026	0.2
71.01271	0.6
83.01277	0.4
85.02820	0.3
89.02342	0.8
93.03357	0.5
96.95889	0.2
98.19801	0.7
101.02354	0.5
113.02354	0.5
117.03404	0.5
119.03402	0.3
119.04948	0.5
132.02084	2.4
133.02908	0.4
153.12816	0.3
161.02394	0.3
165.05508	0.3
173.62558	0.2
174.03166	1.5
175.03908	0.7
177.01874	0.4
185.06024	0.3
187.07541	0.3
201.01874	0.7
202.02690	5.2
203.03331	0.6
203.57115	0.2
209.06081	0.3
215.12743	0.3
221.06197	0.2
223.07649	1.5
224.04749	0.4
229.89594	0.3
236.04848	0.3
237.05414	0.4
238.06429	0.4
239.07153	2.4
240.07648	0.3
249.05605	0.4
250.06326	1.5
251.07138	2.4
252.04243	0.9
252.07910	0.7
253.05133	0.5
253.08679	0.3
265.05084	0.8
266.05890	2.2
267.06665	5.3
268.07239	0.9
275.13092	0.2
277.05029	0.6
278.05884	0.6
280.03830	2.3
281.04532	1.0
293.04547	0.7
294.05405	8.3
295.06165	14.9
296.06937	18.5
297.07626	3.9
307.06091	0.3
309.07813	0.3
319.09772	0.5
325.07373	0.3
328.06046	0.3
333.07571	0.5
337.10788	0.4
347.09323	0.7
348.10031	2.5
349.10971	1.6
365.10367	12.6
366.11020	4.9
367.11758	1.2
377.10242	1.1
378.11066	0.3
381.09879	0.3
393.10010	0.7
398.10410	0.2
418.14215	0.5
419.14917	1.3
436.15320	3.4
437.16055	3.9
438.16711	0.5
443.09967	1.2
457.11383	1.5
458.12122	1.9
459.13034	4.0
460.13754	0.5
482.40518	0.2
490.11157	4.5
491.11807	0.6
511.16333	1.3
528.16449	0.7
529.17438	2.9
530.17792	0.5
560.15448	3.0
561.16107	0.4
581.20624	0.6
599.21460	100.0
600.21820	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	599.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88092	0.2
59.01256	1.9
61.62616	0.2
61.98714	0.6
71.01273	1.2
71.54223	0.3
73.02825	0.3
83.01221	0.2
85.02841	0.4
87.00761	0.2
89.02347	0.6
93.03358	0.5
101.02344	0.9
108.02126	0.2
109.02855	0.7
113.02345	0.3
117.03368	0.5
119.04904	0.6
122.69033	0.2
123.04398	0.3
132.02106	3.2
133.02913	0.3
135.04419	0.7
137.06024	0.3
149.02371	0.4
152.01108	0.3
161.02362	0.4
163.03944	0.4
173.02325	0.3
174.03203	2.2
175.03903	0.5
177.01930	0.3
187.07568	0.2
193.06624	0.3
195.08041	0.3
201.01923	1.2
202.02684	6.0
203.03360	0.9
205.08600	0.3
207.08157	0.4
208.05283	0.2
209.06023	0.4
213.05624	0.3
213.09114	0.3
215.07156	0.3
221.06131	0.3
222.06944	0.3
223.07710	1.7
224.04677	0.4
225.05479	0.3
226.06288	0.3
227.07043	0.4
236.04863	0.5
237.05600	0.5
238.06270	0.5
239.07129	3.7
240.07600	0.4
241.05016	0.2
249.05629	0.6
250.06364	1.9
251.03415	0.3
251.04630	0.3
251.07155	3.1
252.04315	1.3
252.07889	0.5
253.05064	0.5
255.06606	0.3
257.65918	0.2
265.05048	0.4
266.05869	2.1
267.06671	6.4
268.07318	1.3
269.04782	0.3
277.05148	0.7
278.05789	0.5
280.03809	2.7
281.04565	1.7
282.05045	0.3
293.04678	0.8
294.05399	9.1
295.06165	18.3
296.06927	21.5
297.04156	0.4
297.07562	4.5
299.09283	0.5
303.10263	0.4
307.06064	0.3
309.07764	0.4
319.09760	0.5
325.07516	0.3
328.05896	0.4
333.07730	0.4
337.10931	0.6
339.08939	0.3
347.09204	0.8
348.10083	2.7
349.10855	1.6
351.08914	0.3
365.10370	14.6
366.11044	6.0
367.07748	0.3
367.11752	1.6
375.08630	0.3
377.10278	0.5
395.11349	1.4
398.09872	0.3
418.14276	0.8
419.15271	0.6
430.12967	0.3
435.14636	0.4
436.15311	3.6
437.12012	0.8
437.16284	1.1
443.10028	1.7
457.11554	2.3
458.12177	2.0
459.13074	5.5
460.13242	0.3
490.11279	6.2
511.16229	1.0
528.16553	0.8
529.17212	4.0
530.17584	0.5
560.15485	3.6
561.15790	0.6
563.19812	0.3
581.17761	1.4
582.16705	0.3
599.21448	100.0
600.21814	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	599.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
61.98722	0.6
63.41049	0.2
71.01279	0.3
71.59180	0.4
71.59553	0.3
76.50294	0.3
85.35138	0.3
92.14294	0.3
93.03369	0.5
96.95909	3.3
105.19527	0.3
121.02858	1.3
133.02879	1.5
135.04430	0.7
147.04491	0.4
148.01639	0.9
149.02362	1.2
162.95328	0.3
174.03238	0.3
175.03957	0.4
177.01904	0.6
189.01900	1.1
201.01854	1.8
202.02710	0.3
202.62401	0.3
211.07619	0.4
213.01898	3.5
214.02652	0.7
215.03484	3.0
224.04788	0.8
225.05605	0.3
227.03537	0.5
228.07817	0.4
237.05588	0.4
238.06454	0.3
238.51961	0.3
239.07138	1.5
241.05064	1.0
243.06595	0.6
249.05539	0.4
251.07199	0.5
253.05124	0.3
255.06673	0.6
256.07446	2.1
257.08176	1.1
265.05026	0.6
266.05792	0.4
267.02933	0.3
267.06674	1.6
268.03891	0.9
275.12997	0.3
276.07904	0.4
277.05121	0.3
278.05862	0.4
279.06577	1.0
280.03766	0.3
281.04608	0.7
282.05042	0.5
283.06192	1.1
291.06512	0.5
293.04703	0.4
293.11835	0.4
294.05496	0.4
295.02780	0.5
295.06204	0.7
296.03214	1.1
297.04065	0.8
298.04883	0.6
305.08350	0.6
309.04184	0.6
309.11523	0.4
310.04929	0.9
311.05655	8.4
312.06085	0.9
321.04285	0.4
321.11328	1.2
322.04846	1.7
323.05661	40.2
324.06085	2.8
337.07269	0.4
337.10992	0.9
338.11658	0.4
344.05472	0.4
351.08716	1.2
363.09009	0.4
365.10352	12.3
366.11121	27.0
367.11826	6.7
368.12067	0.4
375.08755	0.9
381.09979	0.7
381.76556	0.3
393.09885	2.0
395.11234	0.4
398.10104	0.9
418.14191	2.6
419.15036	1.5
436.15341	15.9
437.16077	16.0
438.16351	1.7
529.17255	0.8
560.15546	0.6
599.21448	100.0
600.21783	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	599.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84925	0.3
50.93657	0.3
51.09988	0.3
52.92880	0.2
55.58484	0.3
59.01254	0.9
61.98713	0.8
67.98966	0.3
71.52357	0.4
93.03294	0.4
96.95913	3.0
111.95052	0.3
113.48370	0.3
121.02876	1.4
122.03717	0.3
123.04413	0.3
133.02884	1.3
135.04492	0.5
139.03963	0.4
145.02834	0.5
147.04491	0.6
148.01607	1.4
149.02370	1.2
155.47896	0.3
161.02460	0.4
175.03926	0.6
177.01846	0.4
189.01839	1.2
189.09084	0.3
201.01949	1.5
202.02713	0.5
205.04959	0.4
211.07741	0.4
213.01913	3.8
213.05557	0.6
214.02716	0.8
215.03481	2.8
223.07570	0.4
224.04797	0.4
228.07828	0.3
231.06479	0.5
233.08299	0.5
235.95453	0.3
239.07172	2.0
241.05078	0.9
243.06789	0.4
249.05702	0.4
250.06360	0.3
251.07085	0.4
255.06767	0.8
256.07333	1.7
257.08157	1.3
259.13211	0.5
265.05261	0.3
266.06030	0.4
267.06677	0.9
268.03891	0.5
278.05972	0.5
279.06671	1.1
281.04608	0.8
282.05499	0.5
283.06180	1.2
293.04846	0.5
295.06165	0.8
296.03207	1.6
297.04175	0.6
298.04913	0.6
305.08191	0.4
307.09634	0.3
309.04303	0.5
309.11276	0.5
310.04846	1.1
311.05685	8.2
312.06067	0.8
319.09906	0.4
321.04041	0.4
321.11252	2.1
322.05038	1.9
323.05658	38.7
324.06030	3.4
333.07721	0.4
334.08453	0.5
335.09448	0.6
337.10886	0.8
339.12360	0.4
344.06073	0.4
347.09341	0.4
348.10187	0.3
351.08865	1.6
364.09070	0.4
365.10370	11.8
366.11127	28.0
367.11761	9.0
368.12314	0.6
375.08646	1.2
381.10007	0.8
393.09747	2.3
394.10599	0.3
398.10126	0.8
418.14273	2.5
419.14920	1.9
436.15359	16.7
437.16058	16.1
438.16440	2.1
529.17358	0.8
539.15485	0.4
599.21442	100.0
600.21777	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	599.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00999	3.6
59.01266	55.2
61.98702	8.8
68.50533	2.6
70.69480	8.6
71.01266	5.1
74.10374	2.4
76.61510	2.7
81.92155	2.3
90.64522	2.5
110.04198	2.5
118.73938	2.5
122.16133	2.8
132.02094	2.8
135.04437	4.1
135.89246	2.4
150.03191	4.6
165.05493	2.8
213.09283	3.4
227.03407	3.6
241.05109	4.7
255.03027	3.5
277.32297	2.9
293.04538	2.9
305.08246	3.4
333.07690	8.9
334.08551	46.1
335.09274	36.2
391.15741	4.0
437.16095	5.8
539.15662	100.0
540.16077	16.6
599.21655	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	599.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.5
60.70169	0.1
61.98721	0.2
71.01257	0.2
81.03348	0.1
85.02851	0.1
89.02323	0.1
93.03339	0.4
98.19676	0.2
107.04926	0.4
109.02856	0.5
110.24939	0.1
121.02853	0.6
123.04369	0.2
124.27679	0.1
128.29822	0.1
131.04996	0.2
132.02057	0.1
133.02847	0.6
135.04459	0.8
142.46671	0.1
145.02881	0.2
147.04483	0.1
147.06888	0.1
148.01601	0.3
149.02383	1.0
149.05899	0.1
150.03175	0.3
155.08531	0.1
161.02438	0.2
163.03972	0.2
165.05489	0.3
171.08176	0.1
172.05208	0.1
173.02512	0.2
173.09624	0.1
174.03188	0.1
175.03966	0.3
175.07610	0.2
176.01056	0.2
185.06029	0.1
187.07625	0.2
193.08641	0.1
195.06627	0.1
197.06136	0.2
199.07622	0.1
201.01918	0.2
201.09000	0.1
203.03505	0.3
209.11777	0.1
211.07637	0.2
213.05573	0.5
215.03458	0.7
215.07108	0.1
217.08627	0.5
225.05589	0.3
227.03543	0.2
227.07170	0.3
231.03239	0.2
237.05571	0.2
238.06416	0.2
239.07092	1.0
240.07861	0.1
241.05046	1.1
242.05634	0.1
243.06610	0.3
245.07986	0.1
247.07613	0.1
250.06314	0.1
251.07104	0.2
253.05034	0.4
255.06627	1.3
256.07407	1.8
257.08090	0.3
263.07019	0.1
266.05728	0.1
267.06735	0.7
268.07361	0.7
269.08200	0.5
278.09491	0.2
279.06778	0.1
279.10291	0.1
281.04459	0.2
285.07666	0.2
286.08444	0.6
287.09235	0.2
289.08734	0.1
291.06842	0.2
291.10382	0.3
293.11734	0.2
295.06119	0.2
296.06931	0.3
303.10306	0.3
305.08270	0.2
305.11819	0.2
306.09009	0.2
307.02655	0.1
309.03876	0.2
309.11469	0.3
319.09927	0.5
321.04068	0.1
321.07700	0.4
321.11359	0.7
322.04926	0.1
322.08301	0.2
331.09747	0.4
332.07117	0.2
333.07761	0.2
333.11401	0.3
334.04785	0.1
335.09375	0.2
337.10864	1.0
339.12311	0.2
347.09406	0.6
348.10306	0.2
349.07141	0.4
349.10858	1.6
350.07849	1.1
351.08420	0.2
351.12552	0.3
359.09506	0.7
360.64523	0.1
363.08832	0.3
364.09598	0.2
365.10367	2.2
366.10880	0.3
367.11890	2.5
368.12381	0.2
375.08679	0.2
377.10358	4.0
378.10748	0.6
380.09042	0.2
380.65796	0.1
393.09866	0.4
394.10577	0.4
395.11411	100.0
396.11768	11.3
436.15543	0.2
437.16605	0.2
539.15784	1.5
540.16046	0.2
551.22711	0.1
557.16498	0.2
599.19720	1.8
599.33246	0.2
600.21350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.5
61.07975	0.2
61.98722	1.3
63.02302	0.2
65.00217	0.5
69.48051	1.6
71.01271	1.8
72.99195	0.4
73.02806	0.4
75.00774	0.2
78.95791	0.5
83.01287	0.6
85.02842	0.8
87.00769	0.8
88.91149	0.2
89.02342	1.6
91.01818	0.2
93.03340	0.5
95.01257	0.2
96.95932	1.9
96.96858	0.4
98.52391	0.2
99.00800	0.5
101.02351	1.0
107.01301	1.1
108.02129	1.2
109.02862	0.7
113.02354	0.6
119.03322	0.2
119.04852	0.2
122.06028	0.3
123.04433	0.5
125.02364	1.1
131.03378	0.3
133.02878	1.1
135.04451	2.3
136.04794	1.5
137.02382	0.2
137.05045	0.3
149.02385	0.4
149.04501	0.4
151.00316	2.7
152.01093	2.3
153.00768	0.8
153.01918	0.3
154.00972	0.6
157.02850	0.2
159.04425	0.5
161.02345	0.4
161.04451	0.3
163.03970	0.3
166.05011	0.7
169.06606	0.4
173.06097	0.2
173.09773	0.2
175.00195	0.2
177.01807	0.2
180.05872	0.3
181.06575	0.5
183.04498	0.4
191.05643	0.2
197.06067	0.3
199.04056	0.3
201.05559	0.7
224.04842	0.6
225.05421	0.7
241.05031	0.4
268.03842	0.2
269.04611	100.0
270.04953	7.6
411.40686	0.2
423.90292	0.3
429.10251	0.3
447.11710	0.4
462.12277	0.4
463.12476	0.4
538.33508	0.5
539.34515	1.3
563.13953	0.3
564.14874	0.2
598.17773	0.7
599.09857	0.3
599.18213	3.8
600.19379	0.4
600.27600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3295
Annotation	Cyl-2
Peak:m/z	Relative Intensity
55.04065	0.4
57.03334	7.7
59.01263	13.7
61.98723	3.1
65.00234	0.7
69.03348	3.9
69.60809	0.5
71.01269	10.0
71.04901	1.4
71.52601	0.5
72.99204	1.1
73.02835	1.8
75.22277	0.5
81.03378	0.5
83.01268	1.3
83.04932	1.9
85.02834	3.1
87.00764	1.1
89.02335	5.8
95.01303	0.9
95.04931	0.9
96.95901	0.6
97.02847	0.5
97.06498	1.1
99.00782	0.8
101.02349	4.5
107.01293	1.1
108.02114	0.5
109.02860	1.2
109.06485	0.7
111.07307	1.0
111.08067	14.8
112.08435	0.7
113.02365	3.1
119.03447	1.3
121.02923	0.9
123.04404	0.6
125.02381	1.6
133.02913	0.7
135.04451	2.4
135.86795	0.5
136.04819	0.6
137.02359	1.0
143.03346	0.5
147.11758	0.7
151.00319	2.3
153.09126	0.6
161.02361	0.8
161.04469	0.9
163.11220	1.1
165.12799	100.0
166.13113	6.0
167.03339	0.5
171.10262	0.5
172.81267	0.5
177.01985	0.5
181.12285	2.5
183.13861	13.0
184.14136	0.9
189.12836	2.8
191.10767	3.3
197.15413	1.0
199.09718	0.7
207.13956	0.5
209.11823	9.9
210.12186	1.4
213.14973	1.4
227.12895	8.8
228.13290	0.6
229.05147	1.0
254.01970	0.4
275.14426	0.5
285.04196	0.6
309.04303	0.6
347.09125	0.7
353.10385	1.1
364.09842	0.5
375.08798	3.4
376.08768	0.6
377.10541	0.9
387.20044	0.8
389.10498	0.6
390.11292	0.7
391.11963	1.6
393.09570	2.5
417.13535	1.0
435.14563	5.7
436.15045	0.8
553.17218	2.6
579.18298	0.8
597.19556	7.3
597.32880	91.9
598.19531	1.7
598.33234	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	597.3884
Annotation	Buxmicrophylline H
Peak:m/z	Relative Intensity
57.03338	0.8
58.02856	0.3
59.01265	4.9
61.98714	8.0
65.00198	0.7
71.01266	3.6
71.51528	0.5
72.99187	0.9
73.02843	0.8
75.00781	1.5
81.03350	11.5
81.15403	0.3
82.03665	0.5
82.06482	0.3
83.01279	1.0
83.04915	37.1
84.05255	1.0
85.02832	1.3
87.00758	0.7
89.02342	1.6
93.03362	0.8
96.95908	0.9
97.06494	0.4
97.24017	0.3
99.00786	0.6
99.04436	0.4
100.07586	5.6
101.02356	2.1
107.01301	0.8
108.02110	0.6
108.04449	0.4
109.02868	1.2
113.02380	1.5
115.00276	0.3
116.92794	0.6
119.03413	0.5
119.04944	0.9
121.02857	0.4
122.06022	0.5
123.04448	0.5
125.02385	1.7
126.05527	1.0
127.03900	0.4
129.01764	0.3
129.48100	0.3
134.03679	0.4
135.04448	2.8
136.04790	1.0
137.02408	1.4
137.04950	0.5
143.07082	0.4
147.04442	0.3
149.02347	0.5
149.05975	0.5
151.00319	3.1
151.03900	0.4
152.00899	1.4
153.00789	0.5
153.01875	0.9
161.02400	0.6
161.04480	0.7
163.03964	0.4
165.01831	0.4
165.05534	0.6
166.05005	0.6
167.03438	0.7
174.01727	0.3
175.03899	0.4
177.02046	0.4
179.03523	0.5
179.05609	0.4
193.05098	0.4
195.03006	0.4
195.06644	0.4
198.18684	0.3
198.20650	0.3
199.18140	6.9
200.18378	0.4
205.04990	0.3
207.15007	0.6
223.06004	0.4
224.17688	0.5
225.16103	7.8
226.16501	0.5
243.17165	19.3
244.17496	1.1
265.58295	0.3
269.04602	0.3
269.15097	1.5
288.05994	0.4
293.12567	0.3
309.04205	0.3
309.21899	1.0
353.20898	6.8
354.21112	0.9
375.27521	0.5
425.34995	0.4
451.32791	2.4
452.33203	0.8
461.12186	0.9
469.34064	14.5
470.34415	2.1
495.31854	0.4
535.39447	0.4
537.33057	1.2
553.40033	0.4
579.37897	3.0
580.38159	0.6
597.18304	4.4
597.38873	100.0
598.17853	0.7
598.39166	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	597.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01569	0.5
57.03335	0.5
59.01264	5.7
61.98719	6.5
65.00205	0.7
71.01284	2.6
71.59926	0.9
72.99195	0.7
73.02802	1.1
83.01289	0.7
85.02837	1.5
87.00760	0.8
88.98701	0.5
89.02318	0.8
93.03351	1.0
98.03702	0.5
99.00799	0.6
101.02338	1.7
107.04927	1.1
108.02058	1.4
109.02852	1.6
113.02348	1.0
117.03364	3.7
119.04950	1.1
121.02868	6.9
123.04429	0.9
124.01575	0.5
125.02345	1.5
132.02113	7.4
133.02853	1.8
134.03667	1.2
135.04443	4.0
137.02357	1.4
145.02910	0.7
151.00296	1.5
151.03928	0.6
152.01070	1.0
161.02362	1.2
161.04607	0.6
163.03940	0.9
171.10176	0.7
172.05266	0.5
173.06021	0.5
179.07181	0.5
183.98582	0.5
185.06003	0.7
190.20847	0.5
193.05029	0.5
195.04523	0.6
197.06006	1.2
199.03955	0.6
209.05991	0.6
215.07085	3.6
221.05893	0.7
223.03889	0.6
233.05965	0.8
237.05664	0.8
238.06622	0.6
239.03561	0.6
239.07265	1.0
241.04990	3.1
241.08722	0.6
255.06735	0.7
261.05310	0.6
265.05130	1.1
266.05762	0.7
273.09109	1.2
275.07135	0.5
285.09314	1.9
287.07092	0.7
289.08643	0.5
291.06610	0.6
293.04584	2.2
294.05087	0.8
298.06174	0.5
301.08640	2.0
303.06799	0.6
303.10294	0.7
307.06049	1.5
313.08813	1.4
314.09387	1.0
315.06912	1.2
315.10199	0.8
317.04761	0.7
317.08209	1.4
329.08340	2.8
330.09137	1.2
331.09784	1.8
333.07648	1.6
334.08441	0.9
335.05646	1.7
335.09338	1.2
340.07431	1.0
341.08344	1.4
347.09302	2.0
348.09973	2.6
349.11029	2.7
355.15356	0.7
357.07632	2.9
358.08524	18.8
359.09299	64.0
360.09689	7.7
361.10773	1.1
373.11032	0.9
375.08719	1.7
376.09509	5.0
377.10309	5.6
378.10699	1.1
391.11987	29.0
392.12439	4.4
399.21555	0.6
404.12988	1.2
405.13449	7.1
406.13870	1.2
417.13608	4.3
419.11456	20.6
420.11911	4.7
421.13184	1.1
433.12967	19.8
434.13660	10.0
435.14456	7.9
436.14807	1.0
513.96783	0.6
521.14606	31.1
522.14966	5.2
525.13959	0.8
539.15588	7.1
540.16223	1.3
579.18835	27.3
580.18958	4.9
597.19885	100.0
598.20355	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	597.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98693	0.3
59.01262	2.3
61.98708	1.3
62.91824	0.3
64.08234	0.3
65.00210	0.6
67.02836	0.3
68.20843	0.3
71.01260	0.9
71.01633	0.3
79.01785	1.9
79.05410	1.8
81.03339	0.4
82.95293	0.3
95.04896	0.5
98.20615	1.1
101.02348	0.6
103.05486	1.5
107.04938	2.6
108.02071	1.0
109.02872	1.1
111.04636	0.4
113.02348	0.4
119.08604	0.5
121.02879	2.0
121.06521	0.6
123.00785	1.2
123.04425	1.0
125.02331	0.6
125.06009	0.9
131.04951	2.9
133.02892	6.4
135.04442	1.2
143.08540	0.7
145.02895	0.5
145.06516	0.5
147.00711	0.5
147.04453	0.6
148.01543	1.7
149.02370	5.3
149.06018	1.0
151.00305	3.0
151.03932	1.2
151.07594	0.5
152.00806	0.5
157.02888	0.6
157.06618	0.4
159.04454	1.2
159.08067	0.6
161.02373	1.6
161.06032	0.6
163.03967	0.4
163.07610	2.1
165.12904	0.4
173.02390	0.5
173.06004	0.9
174.06760	0.4
175.03989	1.8
176.01106	1.4
177.01888	5.7
178.02301	0.4
185.06044	0.8
187.03949	2.1
187.07550	2.6
188.04471	0.4
189.05530	0.5
189.09131	0.5
189.12732	0.4
197.06009	0.4
199.03955	0.4
200.01108	1.0
201.01918	7.1
201.05557	1.2
202.06244	1.3
203.07080	1.6
211.04001	0.5
211.07726	0.4
211.11256	0.5
213.05675	0.9
213.12814	1.1
215.03493	0.6
215.10779	0.4
229.01544	0.7
229.05083	4.0
229.61707	0.4
230.05782	2.0
231.06628	3.5
233.11804	0.9
239.10812	0.8
241.04932	0.5
241.08562	0.4
253.05161	0.6
255.10326	0.5
257.11874	9.2
258.12140	0.7
263.07233	0.6
265.08719	0.9
268.03864	0.8
269.04535	0.3
281.04568	0.5
283.07016	0.4
283.09836	2.2
291.06604	0.4
291.10175	0.5
293.08368	0.4
293.11795	0.4
301.10962	4.3
305.08261	0.7
309.04056	1.0
309.07559	0.4
319.09784	1.2
320.10516	0.4
321.04193	0.7
321.07745	1.4
321.11429	1.9
335.09320	1.5
336.09985	2.1
337.10855	0.7
339.07364	2.9
340.07623	0.4
347.09210	0.5
349.07373	0.5
362.08105	0.5
363.08743	6.0
364.09393	3.1
365.10361	5.7
366.10590	0.7
373.14093	0.4
377.10083	0.8
391.15588	0.4
396.08511	0.6
407.15186	1.3
417.13394	4.3
418.13577	0.7
434.13977	0.8
435.14548	100.0
436.14877	13.2
527.15887	0.4
569.20337	1.4
597.19873	34.6
597.35706	1.0
598.20197	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	597.199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98726	0.2
70.83253	0.2
70.83626	0.1
71.01263	0.2
79.01828	0.1
79.05432	0.2
93.03362	0.7
107.04940	0.2
108.02057	0.1
110.15395	0.1
121.02900	0.5
123.00809	0.2
125.15742	0.1
133.02907	0.4
135.04472	0.4
135.45145	0.1
139.03996	0.2
147.00874	0.1
148.01605	1.5
149.02356	1.2
150.40457	0.1
151.00356	0.2
151.03960	0.1
157.06535	0.2
163.07552	0.1
164.40291	0.1
169.06567	0.2
171.08128	0.3
173.06010	0.1
175.03999	0.2
175.07697	0.2
177.01904	0.3
183.08209	0.2
185.06085	0.3
187.07664	0.4
201.01851	0.2
201.05499	0.1
209.06075	0.1
210.06697	0.2
211.07784	0.2
212.04601	0.2
213.05582	0.7
215.03528	0.7
215.07147	0.4
227.03499	0.1
227.07137	0.3
228.04271	0.1
229.05060	0.9
231.06615	0.2
237.05678	0.4
238.06393	0.2
239.07162	0.6
239.10782	0.3
240.04170	0.1
241.05104	1.1
249.09262	0.2
254.05753	0.2
255.06654	4.4
256.07376	2.1
257.04492	0.1
257.08215	0.5
257.11957	0.4
265.05246	0.1
265.08624	0.1
275.10822	0.2
276.08029	0.2
277.05170	0.2
277.08847	0.4
278.09216	0.1
279.06775	0.2
279.09903	0.1
289.08835	0.1
291.07144	0.2
291.10349	0.6
292.03976	0.1
292.10736	0.1
293.04672	0.3
293.08322	0.3
293.11551	0.2
295.06393	0.1
303.07086	0.1
303.10449	0.2
304.07477	0.2
305.04910	0.1
305.08261	0.4
307.06262	0.2
307.09787	0.3
308.10590	0.1
309.04123	0.1
309.11423	0.4
318.09229	0.1
319.09784	1.3
320.10480	0.3
321.04263	0.2
321.07700	0.5
321.11423	0.4
323.05710	0.9
334.04785	0.3
335.05569	0.4
335.09375	0.8
336.09961	0.4
337.10938	1.6
338.11423	0.3
345.07950	0.2
346.08478	0.3
347.09348	1.4
349.07275	1.1
350.07849	0.8
363.04230	0.2
363.08820	4.4
364.09567	7.6
365.10321	8.9
366.10773	0.8
389.14124	0.2
391.12006	0.7
396.08621	1.6
397.08752	0.2
402.55505	0.1
405.13843	0.2
407.15082	0.8
417.13431	1.1
418.13937	0.2
419.11203	0.6
420.12122	0.2
433.12967	0.6
434.13751	0.3
435.14548	100.0
436.14899	13.4
500.21979	0.1
577.98285	0.1
597.19873	4.3
597.34705	0.2
598.19897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	2.1
59.01246	2.1
69.50911	2.5
69.51343	3.5
71.01270	1.2
72.99201	19.8
73.02859	0.8
75.00765	1.3
87.00779	5.0
88.07626	0.7
93.03382	4.1
99.00809	1.9
107.04931	6.3
111.00789	0.9
116.71114	0.8
119.04936	2.8
121.02881	1.4
122.03624	0.8
123.04444	8.6
131.04961	0.8
133.02870	2.9
135.04462	1.7
147.04434	2.4
149.02307	1.0
149.06036	8.8
150.03165	1.6
150.18513	0.8
151.00348	1.3
151.03928	1.0
153.01694	0.7
163.04005	1.6
165.05527	42.9
166.05855	2.0
179.03491	11.2
192.59647	0.7
193.05035	11.0
194.05437	0.7
195.02968	2.3
195.06613	1.0
209.04482	1.0
224.56392	0.8
255.05138	100.0
256.05511	4.7
256.08008	1.0
283.76660	0.8
338.70630	0.8
348.65939	0.8
358.12689	0.7
411.87509	0.8
597.18158	2.5
615.07349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42828	0.4
53.97032	0.4
61.12794	0.5
70.15025	0.4
71.02125	1.0
91.92786	0.4
107.53069	0.4
113.00423	1.6
138.66040	0.4
171.01047	0.6
171.41017	0.4
247.20918	0.5
275.20227	0.8
293.21304	21.0
294.21539	1.3
313.07318	0.9
318.21240	1.2
319.20941	18.8
320.21246	1.2
371.33273	0.4
389.21448	2.0
487.32440	0.7
539.35553	0.6
553.16284	0.5
594.41937	1.1
595.41956	100.0
596.42218	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	597.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03328	1.1
59.01278	5.3
61.98711	5.2
65.00201	1.6
67.01806	0.8
68.99696	0.7
69.03342	1.4
69.96730	3.2
71.01272	7.0
72.51456	0.7
72.99172	1.7
73.02829	2.1
75.00752	1.3
79.01778	1.1
81.03342	2.7
83.01286	2.9
85.02846	4.7
89.02318	3.1
91.01789	3.8
93.03358	4.2
95.01263	3.0
97.02843	2.7
98.19865	1.0
99.00774	1.8
99.04438	0.8
101.02338	3.5
107.01335	1.0
107.04939	1.6
108.02077	46.8
109.02872	16.0
111.00777	2.8
111.04409	1.6
113.02342	3.4
117.03338	1.4
119.03398	1.5
119.04967	2.0
121.02875	11.9
123.00798	2.5
123.04435	17.9
124.01585	1.6
125.02387	7.2
133.02895	2.0
135.04454	3.8
137.02371	5.5
139.03957	2.3
147.04344	1.4
149.02383	3.7
149.04420	0.9
149.05817	0.7
151.00296	2.7
151.03966	3.8
152.01094	75.4
153.01891	20.2
154.02242	1.1
155.03416	1.2
161.02382	1.4
161.04515	0.9
162.03091	0.8
163.00290	1.5
163.03922	5.3
165.01889	3.1
166.02611	1.1
167.03444	20.5
168.03802	1.1
173.80139	0.7
175.03957	1.9
176.04547	0.9
177.01904	4.8
179.03452	6.3
179.05608	0.9
181.05067	1.5
187.03896	0.8
189.01927	1.0
189.05589	1.6
191.03418	2.5
193.01343	1.3
193.05063	1.4
195.03000	1.8
197.04536	4.1
201.05585	0.9
203.03499	1.5
205.01460	2.8
205.04942	0.8
207.02879	3.5
209.04526	15.5
213.05530	0.8
219.02922	2.2
221.04541	2.2
223.02444	1.3
235.02481	3.3
236.02716	0.8
237.04012	2.5
239.05640	5.7
247.02530	2.3
249.04073	2.0
256.03482	0.8
265.03638	5.7
266.04080	1.0
269.06754	3.3
273.06149	1.0
275.05725	0.8
277.03824	1.4
279.05124	1.3
283.06003	1.2
287.15265	0.8
295.04623	4.8
297.06485	1.0
298.04794	0.9
312.06210	1.4
313.07059	1.0
315.07422	2.5
317.64877	0.9
325.05981	1.9
327.08319	1.0
341.06174	0.9
342.11148	1.9
353.05942	0.8
355.06952	2.1
357.13477	2.9
367.07156	1.1
369.06119	1.7
371.06570	0.9
385.07968	1.2
387.07236	11.0
388.07645	1.9
397.07770	0.9
399.07068	3.5
405.15616	2.6
416.07300	1.0
417.08347	9.3
418.08557	1.5
429.10507	11.7
430.10291	1.2
431.26550	0.8
435.10959	1.4
445.09464	1.2
447.11151	6.4
459.09366	3.9
475.11285	1.4
477.10440	14.2
478.11453	1.8
489.10220	3.2
507.11255	7.9
508.11246	1.1
519.11517	1.7
537.12714	1.8
564.14099	1.1
579.13586	8.5
580.13861	1.6
597.14624	100.0
598.14911	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.6
61.98708	0.6
67.37183	0.4
70.49268	0.4
71.10273	0.9
75.00758	0.9
78.95792	67.9
89.49235	0.5
96.96865	11.1
135.04460	1.8
144.39558	0.4
150.97951	1.1
151.00307	1.2
152.99521	97.9
153.99850	1.5
171.00598	2.5
201.72972	0.4
223.00113	11.2
241.01205	28.1
242.01506	0.6
249.10071	0.4
259.02335	2.0
261.22189	0.7
279.23340	69.9
280.23691	6.4
315.04938	13.9
333.05908	1.3
381.03476	0.5
388.34384	0.4
454.14221	0.4
595.28992	100.0
596.29340	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73207	0.2
54.36655	0.3
55.19124	0.3
59.01264	0.6
59.79158	0.3
61.98700	0.5
62.96269	0.4
68.58793	0.3
69.37545	2.0
69.37956	0.5
78.95794	64.8
96.96868	13.7
96.97495	0.8
98.19756	0.6
128.70299	0.3
134.98448	0.8
150.97946	0.8
151.00388	0.5
152.99529	56.6
153.99855	1.0
171.00644	0.6
182.53209	0.4
183.13857	0.4
194.05835	0.3
223.00107	2.4
241.01219	30.8
242.01601	1.0
259.02298	1.1
261.22195	0.4
279.23355	63.1
280.23685	6.6
315.04950	8.3
370.86771	0.4
415.22638	4.9
433.23682	0.7
464.33212	0.3
535.23669	1.5
551.27057	0.4
595.29034	100.0
596.29401	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	595.2901
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01257	0.5
62.31045	0.4
68.86887	0.4
70.54292	1.5
78.95793	61.7
94.74426	0.4
96.96857	12.5
98.20499	0.5
150.97960	1.2
152.99524	92.0
153.99864	1.4
171.00589	3.7
172.38298	0.5
179.12038	0.4
223.00130	10.7
241.01213	25.9
242.01488	0.7
259.02280	1.8
279.23349	65.2
280.23666	7.8
315.01303	0.8
315.04926	14.4
316.05264	0.9
333.05649	0.7
595.29022	100.0
596.29346	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	595.2049
Annotation	Staunoside C
Peak:m/z	Relative Intensity
57.03335	1.1
59.01264	10.2
61.98721	4.0
65.00209	3.9
69.41938	0.8
69.42253	7.4
71.01283	8.7
72.84063	0.8
72.99195	0.9
73.02844	2.0
75.00769	4.2
77.46252	0.8
83.01283	4.2
85.02833	2.9
87.00766	1.4
89.02336	4.4
93.03372	1.7
95.01293	2.1
96.95875	1.2
97.02840	1.1
99.00810	2.2
101.02324	4.7
107.01298	5.4
107.04910	3.0
108.02074	1.9
109.02849	2.8
111.00793	2.2
113.02374	4.7
119.03422	1.0
119.04940	5.1
121.02855	2.1
121.06561	1.2
123.00796	3.8
123.04448	1.2
124.01566	2.4
125.02370	5.2
127.00278	1.6
134.03703	0.9
135.04446	20.0
136.98720	1.4
137.02344	3.1
138.03157	1.9
139.00316	8.7
139.03951	4.1
145.02858	2.3
147.04500	4.5
147.05466	0.8
149.02391	2.6
150.03143	0.9
151.00311	23.8
151.03932	2.5
152.00981	3.1
153.01917	4.2
153.05565	1.8
159.04378	1.2
161.02344	2.2
161.04436	2.7
162.03168	2.5
163.03990	5.7
165.01904	1.5
165.05519	1.6
166.02681	5.9
167.03459	2.5
173.02405	1.4
174.03215	1.3
175.00308	1.6
175.03954	3.5
176.04716	1.4
177.01881	2.8
177.05519	5.1
179.03354	2.1
179.05573	2.6
181.05055	6.2
188.01044	1.3
188.04807	1.2
189.01871	2.2
189.05513	1.5
190.02734	1.8
191.03441	4.6
192.04218	1.3
193.01413	2.6
193.05058	2.8
194.05664	1.0
197.35213	0.8
203.03526	5.8
204.04210	2.0
205.04982	1.9
207.06400	1.1
208.03696	1.5
218.05968	4.0
219.06566	1.9
221.04579	1.8
221.06552	1.7
223.06088	3.5
233.08257	1.4
236.06975	1.8
243.06129	0.8
251.09291	4.1
255.03133	1.6
257.04211	1.0
263.07755	1.3
269.04547	1.4
271.06250	6.7
285.03937	1.7
286.04349	2.4
287.05026	1.4
298.08170	1.0
301.03693	1.7
325.07196	1.0
339.09009	1.1
341.06891	1.0
343.08231	2.4
343.11954	3.2
345.22885	1.3
354.07437	1.0
355.08157	2.5
357.09763	1.4
358.10651	13.6
359.11111	1.9
370.10797	2.6
373.13031	32.9
374.13364	2.4
385.13083	1.6
387.03232	1.1
389.16364	1.6
403.09634	5.5
403.14297	2.8
404.10910	1.5
417.12027	2.6
418.12729	6.8
419.13208	1.8
433.15134	100.0
434.15442	12.2
447.04010	0.9
459.11542	4.5
535.27338	4.7
565.15759	3.8
580.18213	1.1
595.19800	44.2
595.29803	3.2
596.21295	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	595.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.2
61.98709	1.5
65.03853	0.5
70.51035	1.4
71.98766	0.4
72.08317	0.4
84.46487	0.4
87.00755	0.5
96.95917	0.7
101.02325	0.5
109.02844	1.1
116.16317	0.4
117.13584	0.4
121.02832	1.0
121.52988	0.4
126.48636	0.4
133.02867	0.8
135.04442	1.7
147.00786	0.8
150.03169	0.6
151.00285	1.6
157.06487	0.8
161.02429	0.9
162.03133	0.4
165.05589	0.5
182.61691	0.4
197.09624	0.4
199.07603	7.6
213.05566	0.5
223.07607	1.2
225.05577	0.5
237.05679	0.6
239.07141	0.6
241.05130	0.5
241.08733	3.0
267.06686	1.0
303.06693	0.5
329.08017	0.6
345.07700	0.7
347.09222	3.6
359.09381	1.1
361.10831	1.0
371.09323	0.8
372.09796	0.5
373.10995	0.6
375.08743	2.8
376.09341	0.5
389.10373	29.5
390.10754	3.6
402.11252	0.9
403.11874	8.9
404.12439	1.1
413.10223	0.7
417.09857	21.4
418.10416	4.7
419.11429	0.7
431.05490	1.0
431.11426	20.7
432.12106	10.8
433.12976	7.9
434.13333	1.0
447.45367	0.4
553.16968	0.6
595.18304	100.0
596.18658	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	595.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30478	1.2
53.88662	1.2
56.91241	1.3
57.03331	2.0
57.92130	1.2
59.01257	5.3
61.98712	2.7
65.00227	1.5
67.25862	1.1
69.30976	2.7
69.31378	9.9
71.01254	4.8
73.02854	1.5
75.00765	1.9
75.48138	1.1
79.01801	1.7
81.03313	1.8
83.00848	1.3
83.01294	5.3
85.02827	2.3
89.02332	2.6
93.03343	6.7
95.01286	2.4
95.04905	1.3
96.95925	1.9
97.02850	3.3
98.19831	3.0
99.00786	2.6
99.04443	1.5
101.02324	4.5
107.01284	6.3
107.04954	2.2
109.02850	3.8
111.04415	2.2
113.02351	2.7
117.03465	1.5
119.04948	33.0
120.05266	1.4
121.02877	4.0
123.00761	2.9
123.04443	2.5
124.01533	1.2
125.02366	15.0
135.04453	4.9
137.02383	5.2
139.03934	5.6
143.04948	3.6
145.02908	6.0
147.04462	3.5
149.02380	5.9
149.04663	1.3
150.03136	1.8
151.00307	7.5
153.01938	2.3
161.02460	1.5
161.04620	1.7
161.06055	2.1
163.00320	4.0
163.03920	3.7
165.01860	6.7
165.05499	1.3
167.03444	9.1
175.03972	2.5
177.01903	4.6
178.99953	3.0
179.03490	2.1
187.03964	4.9
191.03436	3.8
193.01430	9.2
197.04492	2.3
199.07668	3.2
205.01361	5.8
206.79694	1.5
207.03006	2.6
209.04529	5.4
211.07692	3.0
215.07069	2.2
219.03049	2.7
221.04546	1.3
223.02531	1.7
227.07225	2.1
235.02486	9.3
241.08630	1.4
243.06696	2.9
249.04106	1.7
259.06165	11.6
265.03607	3.5
269.04535	1.6
271.06165	3.8
277.75095	1.3
283.06207	3.1
283.09631	1.4
297.07803	1.9
313.07349	12.8
325.07227	5.3
343.08344	3.6
353.06955	2.9
355.08313	63.5
356.08777	7.8
367.08386	3.4
385.04404	2.6
385.09363	54.1
386.09763	5.7
397.09262	3.0
415.10501	16.7
433.15475	2.9
457.11514	5.6
475.12650	32.7
476.12839	3.9
487.12454	4.7
505.13721	4.7
567.17426	9.6
577.15796	4.4
595.16779	100.0
596.17010	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	595.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77031	2.2
57.03323	5.6
59.01256	9.0
61.98705	3.0
71.01270	10.0
71.22346	4.7
72.99191	2.5
73.02826	3.2
75.00757	3.1
81.03367	4.0
83.01268	7.5
87.00774	2.6
89.02333	5.8
93.03361	9.3
95.04943	3.1
96.95924	3.5
97.02847	5.1
99.00755	2.8
99.04415	2.6
101.02361	4.7
107.01305	8.4
109.02879	5.0
111.00832	2.7
113.02330	3.1
119.04941	39.7
121.02859	6.4
123.00816	4.3
123.04425	3.9
125.02374	19.9
129.01915	2.9
135.04440	8.3
137.02367	5.9
137.03384	2.1
139.03922	6.3
143.04984	3.6
145.02876	6.3
147.04456	4.5
149.02365	7.0
151.00302	12.2
151.03925	3.2
153.01826	3.8
163.00349	3.5
163.03946	3.9
165.01895	9.0
167.03435	10.7
175.03903	2.8
177.01883	4.1
178.99786	2.3
179.03455	3.6
187.03975	5.2
191.03467	3.2
193.01424	13.0
197.04453	3.4
199.07628	2.9
205.01454	6.9
207.02930	4.5
209.04486	4.3
213.05260	2.0
215.06979	2.4
219.02913	2.4
221.04625	2.8
226.40802	2.4
227.07176	3.0
235.02516	14.6
239.05460	3.0
259.06189	16.9
265.03583	5.0
269.04602	2.6
270.04996	2.5
271.06192	5.2
283.06049	2.9
293.95273	2.2
297.07794	2.6
301.07236	2.8
313.07169	16.3
314.07486	2.7
325.07257	6.5
343.08389	5.9
355.08289	67.6
356.08475	5.4
367.08459	3.9
385.09396	53.7
386.09521	4.8
415.10519	16.5
457.11505	6.6
475.12512	29.8
487.12695	2.7
505.13602	6.9
567.17291	9.5
577.15656	4.6
595.16760	100.0
596.16833	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	595.1681
Annotation	Aromadendrin 7-rhamnosyl-(1->4)-galactoside
Peak:m/z	Relative Intensity
59.01274	0.9
59.13166	0.3
61.98717	1.6
63.02275	0.5
65.00208	14.1
66.00542	0.3
69.19355	2.6
69.19772	0.6
71.01282	0.5
77.35266	0.3
80.96405	0.4
81.03362	0.3
83.01279	4.5
83.01729	0.5
85.93705	0.3
93.03371	0.4
97.02817	0.3
101.02386	0.3
107.01291	21.4
107.04935	0.8
108.02087	1.2
108.99213	0.3
109.02860	4.2
109.46832	0.3
115.17269	0.3
117.03358	0.3
117.80889	0.3
121.02878	0.3
123.00768	0.3
125.02373	3.7
131.01289	0.3
133.02882	0.8
134.03661	2.4
135.04442	74.6
136.01646	0.8
136.04771	3.4
137.02402	0.6
151.00304	100.0
152.00638	3.8
153.01761	0.3
161.02365	2.7
164.01094	1.5
165.01862	1.4
169.01346	2.1
174.03209	0.3
175.00331	3.0
177.01917	1.9
188.48370	0.3
191.03493	0.3
193.01427	2.6
196.00075	0.8
199.04068	0.5
201.01868	0.5
205.01369	1.8
215.03435	0.4
217.01442	0.7
229.29631	0.3
233.65845	0.3
235.02486	3.5
253.03659	0.3
263.22653	0.3
269.04575	0.9
286.04739	0.5
287.05701	5.8
288.06140	0.6
295.04639	0.5
329.06421	0.3
339.07324	2.0
341.34927	0.3
357.08017	0.4
372.01227	0.3
459.11511	23.6
460.11835	2.3
575.67224	0.3
595.16772	78.0
596.17114	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91373	0.4
51.11403	0.5
57.03341	4.2
59.01254	1.6
59.64041	0.4
62.71361	0.5
65.00208	4.0
67.01765	0.4
70.53885	0.9
71.01273	0.7
73.02823	0.5
77.20028	0.5
79.52677	0.5
81.03346	3.4
83.01280	5.7
85.05170	0.4
91.05576	0.4
93.03362	5.5
101.02395	0.6
107.01292	7.4
109.02846	1.6
111.00779	0.6
113.47338	0.4
117.71189	0.5
121.02862	1.3
123.04443	1.3
124.01588	3.4
125.02375	44.5
126.02683	1.3
131.04915	1.2
133.02869	2.2
135.04483	0.5
137.02361	1.6
139.03922	1.3
145.06506	0.8
147.04460	0.7
149.02377	2.5
151.00311	24.7
151.01537	1.2
152.01122	8.4
153.01892	15.0
158.03688	1.3
159.04469	0.8
163.00294	1.1
165.01912	1.3
167.03436	2.1
169.01369	2.5
172.05246	4.7
173.06058	11.2
174.06375	0.6
175.00317	0.5
175.04001	3.1
176.01112	2.1
177.01872	1.0
177.05484	1.2
178.99825	27.9
180.00153	1.1
181.01328	0.5
187.07616	1.3
191.03381	0.6
195.03027	0.9
197.06078	1.3
199.04018	1.1
199.07703	0.6
200.04741	2.2
201.05577	1.4
209.04535	0.7
209.08002	0.6
215.07143	15.2
216.07500	1.4
225.05493	0.6
240.59044	0.5
241.05066	2.8
243.06673	4.4
255.02951	0.8
258.05551	1.1
259.06161	100.0
260.06491	6.6
268.03848	2.7
269.04614	17.8
270.05179	1.1
271.06122	0.9
283.03241	0.7
283.06082	3.2
287.05667	3.1
301.04034	0.8
301.07193	4.1
311.05640	0.8
313.06812	0.8
314.04367	0.6
343.04562	0.9
343.08389	0.7
361.09305	2.2
403.10425	0.9
433.13986	2.0
447.12848	3.1
448.13474	0.6
457.11517	2.2
461.13058	2.7
464.57132	0.6
475.09076	1.6
489.12704	0.7
499.13147	0.7
505.09851	1.1
551.17914	1.4
567.17297	67.4
568.17633	9.9
577.15900	7.7
578.16473	0.8
595.16858	65.1
596.17291	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	595.1682
Annotation	Aromadendrin 7-rhamnosyl-(1->4)-galactoside
Peak:m/z	Relative Intensity
57.03324	0.7
59.01271	3.4
61.98712	3.8
65.00210	13.4
66.78358	0.5
68.23277	0.5
70.01630	2.6
71.01271	1.1
83.01289	5.2
85.02821	0.7
86.59981	0.5
89.02338	0.6
93.03363	0.7
96.95848	0.5
107.00543	1.0
107.01291	20.0
107.14216	0.6
109.02865	3.2
113.02326	0.7
119.04920	1.1
121.02853	0.8
125.02370	4.2
133.02820	0.9
134.03654	1.5
135.04445	73.5
136.04761	3.2
137.02388	0.9
149.02309	0.8
151.00313	100.0
152.00659	3.2
161.02403	3.0
164.01126	0.7
165.01895	1.0
169.01395	2.2
174.03171	0.7
175.00394	3.2
177.01889	2.4
184.02039	0.6
193.01369	2.5
196.00105	0.9
205.01433	2.0
217.01405	1.2
231.06580	0.5
235.02510	3.2
235.96861	0.5
248.31288	0.6
286.04846	0.7
287.05661	5.6
339.07251	1.3
459.11566	24.5
460.11847	2.3
595.16809	78.0
595.37408	1.7
596.17084	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	595.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
59.01268	1.0
59.09658	0.4
59.32846	0.4
63.02282	0.6
65.00213	9.0
70.02239	2.0
71.01276	0.7
81.03358	0.6
83.01284	3.8
86.48645	0.4
87.00764	0.5
95.01290	0.9
107.01294	15.2
108.02111	1.0
109.02866	11.1
110.00009	2.6
111.00827	0.5
117.03377	1.4
119.04935	3.0
123.00821	0.6
123.04435	0.5
125.02372	7.8
133.02925	1.0
134.03673	1.7
135.04449	46.9
136.04776	1.8
136.92087	0.4
136.98726	0.7
137.02420	0.8
137.99496	0.5
139.00302	1.8
149.02422	0.9
151.00310	61.4
152.00652	2.6
153.01874	1.3
161.02396	3.7
164.01045	0.5
164.98308	0.5
165.01903	1.6
165.99039	2.1
166.99806	3.2
167.03481	0.7
169.01385	0.8
172.87126	0.4
175.00317	1.8
177.01901	8.6
177.03340	0.9
178.02278	0.7
180.00601	0.8
181.01398	1.2
189.99091	0.5
192.00633	0.6
193.01366	2.7
205.01439	1.5
235.02507	2.3
259.06082	0.8
269.04791	2.0
271.06201	1.7
285.04028	1.1
286.04819	3.8
287.05688	7.6
288.05927	0.7
329.06775	0.8
339.07233	1.0
433.13739	1.2
459.11533	20.4
460.11539	2.2
475.10910	2.4
485.13046	1.4
501.12686	1.9
577.15930	1.4
595.16797	100.0
596.17200	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	595.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02280	0.8
64.26295	0.6
65.00213	13.8
66.51938	0.5
70.83298	0.9
79.03379	0.5
80.25813	0.6
82.44086	0.4
83.01273	5.2
93.03328	0.6
95.62955	0.6
107.00549	1.2
107.01293	22.6
108.02117	0.6
109.02868	3.4
117.03349	0.6
119.04910	1.3
125.02377	3.3
134.03668	1.6
135.04446	71.6
136.01585	0.6
136.04767	2.2
145.02840	0.5
151.00308	97.9
152.00604	2.9
161.02406	3.1
164.01106	1.3
165.01842	2.0
169.01358	1.4
175.00322	2.6
177.01889	1.9
193.01436	2.3
201.01909	0.8
203.03328	0.9
203.68665	0.5
205.01347	1.3
215.59766	0.5
235.02592	3.6
253.03638	0.5
266.86984	0.5
269.04663	1.4
271.06229	4.5
285.04132	0.9
287.05618	6.0
295.04630	0.9
339.07425	1.0
417.34293	0.6
459.11554	26.1
460.12155	2.8
475.11850	1.4
528.27515	0.6
595.16803	100.0
596.07483	0.8
596.17151	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	595.1318
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
59.01254	4.0
61.98710	3.8
67.01770	1.3
68.99700	1.2
69.03317	1.7
69.29280	9.7
71.01283	5.7
71.58954	0.9
72.99177	1.4
73.02830	1.4
75.00739	1.4
77.03868	1.0
79.01740	1.2
81.03334	2.3
83.01303	4.7
85.02821	2.6
85.19380	1.0
87.00748	1.1
89.02359	1.8
93.03351	9.5
95.01286	4.0
97.02831	2.1
99.00789	2.2
101.02361	2.4
107.01279	2.7
107.04993	1.2
108.02078	2.2
109.02867	3.2
111.00758	1.4
111.04389	1.4
117.03378	8.7
119.04933	2.3
121.02872	5.0
123.00784	3.4
123.04410	3.9
124.01510	1.4
125.02369	8.0
131.04922	1.9
133.02858	4.2
135.00716	1.3
135.04445	5.8
135.32318	0.9
136.01566	1.2
137.02397	8.0
139.03931	3.7
145.02820	2.0
147.04443	4.3
149.02382	9.2
150.03226	1.4
151.00279	3.8
151.03967	6.1
152.01038	1.6
153.01852	5.3
155.03419	1.3
159.04417	2.6
161.02393	4.7
163.00285	3.4
163.03992	4.8
164.01086	1.5
164.04616	1.0
165.01892	7.3
165.05501	2.2
166.02657	1.4
167.03418	5.3
171.04523	1.5
173.02383	3.4
173.05855	1.0
175.03902	4.6
176.00984	1.6
177.01906	8.3
177.05493	2.0
178.02592	1.4
179.03477	8.0
180.00507	1.1
180.04128	2.1
181.01335	1.6
181.05067	1.9
183.02982	1.2
183.04466	1.2
185.06116	1.1
187.03944	3.3
189.01863	3.7
189.05511	1.1
190.02611	1.4
191.03484	9.0
193.01419	6.5
193.04909	1.5
195.02945	2.7
197.04488	1.5
199.03902	1.6
201.05504	2.2
203.03516	5.0
205.01462	6.1
205.04991	3.8
206.02068	2.3
207.02959	8.3
209.04456	3.4
213.05521	2.5
214.35588	1.2
215.03551	1.5
217.01442	3.0
217.04965	2.5
219.03064	5.4
221.00847	2.8
221.04424	2.3
222.01688	2.1
223.02376	2.1
225.05708	1.1
227.03374	1.4
227.07091	1.1
229.05031	3.3
231.02992	1.6
233.00931	1.7
233.04451	3.5
235.02493	9.1
237.03911	1.5
239.05458	1.5
241.05029	3.8
243.02931	1.3
243.06569	1.9
245.04568	2.0
247.02441	5.0
249.04013	3.4
251.01923	1.4
252.04311	1.1
255.02965	1.6
257.04477	3.9
259.02374	1.3
259.06113	1.7
261.04028	2.5
263.01950	2.3
263.05554	1.4
265.03503	5.3
267.06689	1.4
269.04572	3.7
271.06128	1.9
273.04019	1.3
277.03516	5.4
281.04501	2.0
282.05322	2.5
283.06281	8.9
285.03952	4.7
285.07175	1.5
287.05640	2.4
293.03098	2.9
295.06122	1.8
296.06949	1.2
297.04074	3.7
297.07648	7.7
298.04907	1.7
299.05609	2.9
301.03433	1.8
307.04852	2.3
309.03986	2.7
309.07651	2.1
311.05624	9.7
312.06104	1.8
313.03485	1.9
313.07166	1.8
314.04407	3.2
315.05093	1.9
323.05505	3.3
325.06689	3.3
327.05045	5.2
328.05981	3.8
329.02948	3.7
329.06464	2.3
335.05374	1.8
337.03149	1.6
339.05069	10.0
340.05606	1.6
341.06650	3.4
342.03564	1.4
343.04550	3.8
351.04755	1.2
353.06793	17.0
354.07007	1.7
355.04205	2.6
357.06113	4.4
367.04520	2.8
369.06122	10.8
370.06573	2.3
371.07764	1.7
373.05460	2.0
381.06009	1.5
383.07950	4.9
384.08090	1.4
385.05396	14.2
386.05783	1.3
387.07224	4.6
395.07764	1.6
397.05667	4.3
399.07297	1.8
405.10187	1.7
413.08740	1.7
415.06610	11.4
417.08453	1.2
427.06461	3.3
429.08179	4.3
431.09872	2.9
433.09940	1.5
439.06589	1.5
441.08292	2.8
443.09879	13.7
444.10065	1.3
445.07828	4.9
447.09277	1.4
457.08154	3.6
459.09442	7.9
461.10117	1.5
473.11203	6.3
475.08951	12.5
476.09433	1.6
487.08746	4.3
503.11694	1.4
504.11957	2.8
505.09930	22.1
506.10416	1.4
535.11371	1.8
547.11029	1.8
549.12286	2.1
561.12836	4.7
562.13385	17.9
563.13727	3.4
567.13446	2.2
577.12177	3.0
595.13092	100.0
596.13409	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	595.1318
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
50.49864	1.2
59.01256	3.3
61.98726	2.4
62.66436	1.1
71.01256	2.5
73.02861	1.2
75.00774	1.5
81.73147	1.2
85.02874	1.4
87.72918	1.1
93.03329	5.1
95.01259	2.4
97.02851	1.5
99.00770	1.9
101.02311	3.7
107.01330	1.7
108.02056	1.4
109.02863	2.8
111.00803	1.7
111.04388	1.2
112.66809	1.2
113.02380	1.5
117.03354	5.2
119.04881	2.8
121.02824	3.1
123.04404	2.4
125.02341	4.0
128.02234	1.2
133.02872	3.6
135.04422	4.2
137.02321	4.5
139.03928	1.6
147.04466	2.5
149.02382	4.0
149.04344	1.3
150.03186	1.3
151.00278	4.4
151.03897	2.5
151.89806	1.2
153.01886	3.3
159.04399	1.9
161.02341	3.6
163.03899	4.2
165.01842	4.1
167.03403	4.1
175.03970	2.0
177.01851	5.3
179.03438	5.3
187.03899	1.3
187.20882	1.4
189.01820	2.4
191.03430	4.4
193.01331	3.5
195.02818	1.4
201.01973	1.4
203.03525	2.8
205.01344	3.5
205.04959	2.7
207.02887	4.2
209.04465	2.7
217.01437	1.6
219.02931	4.9
221.00636	1.4
221.04526	1.3
223.02330	2.2
233.04497	1.7
235.02397	4.8
245.04564	1.8
247.02492	1.6
257.04401	1.6
259.06146	4.5
261.04089	2.5
262.53693	1.3
263.01987	1.5
265.03436	3.6
269.04568	1.9
271.06033	2.7
277.03558	2.2
283.06079	4.2
285.03986	5.0
285.06909	1.2
287.05338	1.4
295.04608	2.7
297.03918	2.6
297.07651	3.2
298.04788	3.2
299.05313	3.3
300.05652	1.6
307.04700	1.9
309.04102	2.1
310.04498	1.3
311.05396	6.3
313.06897	1.7
314.04190	1.7
323.05392	1.9
325.06824	2.2
327.05099	4.1
339.05035	4.0
341.06662	2.7
341.90588	1.3
343.04602	2.2
353.06738	9.5
357.05920	1.8
359.07114	1.6
367.04266	3.0
369.05811	5.3
371.07507	1.4
381.06152	1.8
383.07666	5.0
385.05521	9.9
387.07306	2.9
397.05771	2.1
399.06796	1.7
412.23331	1.4
415.06564	7.0
417.08185	3.7
427.06604	1.9
429.08191	3.7
431.09723	4.7
443.09827	9.2
444.10101	1.9
445.07809	4.5
457.07428	3.3
459.09305	4.3
462.08682	1.5
463.08743	2.0
464.75815	1.2
473.10767	5.2
475.08868	16.6
476.09482	2.0
477.10645	1.5
487.08774	1.9
489.10132	2.2
505.09778	19.4
506.10300	1.9
535.10522	2.1
561.12665	4.7
562.13440	15.7
563.13385	2.4
567.14124	1.8
577.11853	5.1
594.15271	2.5
595.13159	100.0
596.13312	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	593.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
55.73100	0.7
57.03326	3.0
59.01264	100.0
60.01587	2.2
61.01678	0.9
61.98711	6.2
63.02263	1.2
65.00207	8.1
69.03332	1.1
71.00902	1.1
71.01271	18.5
71.55794	1.4
72.99191	2.0
73.02837	8.3
75.00747	1.6
78.95808	1.0
80.02568	1.0
81.03347	0.9
83.01276	9.0
83.72107	0.6
85.02841	11.2
85.99982	1.1
86.17613	0.8
87.00767	4.6
88.98679	1.5
89.02335	4.6
95.01255	2.7
97.02876	1.3
99.00741	4.0
101.02339	11.5
103.44358	0.7
107.01290	12.0
108.02072	5.5
109.02833	2.5
111.00756	1.6
113.02345	8.6
119.03403	1.9
119.04946	1.3
121.02826	2.5
123.00748	1.2
123.04420	1.0
124.01579	1.5
125.02372	7.3
125.09672	1.0
133.02876	4.3
134.03650	11.5
135.04449	17.4
136.01602	3.8
137.02345	2.5
143.03392	2.5
145.02904	1.0
147.04424	2.6
149.02357	1.9
151.00308	40.7
152.01076	1.5
153.01836	2.1
155.05002	1.2
160.01596	1.0
161.02350	3.4
161.04541	1.8
161.05830	0.8
164.01091	6.5
165.01894	7.2
166.02681	0.9
169.01328	1.4
171.04408	1.0
174.03154	3.4
175.00299	2.0
175.03964	2.8
177.01898	6.7
179.03331	1.3
185.02344	1.0
187.03990	1.8
189.05440	1.1
190.02655	2.3
191.10718	1.3
193.01427	1.6
195.04457	0.9
196.00092	9.2
197.06073	1.1
199.03995	9.0
201.01935	3.9
203.03644	0.9
205.01328	1.0
209.11722	1.1
211.04036	1.2
213.05534	1.9
215.03473	2.1
217.04979	1.8
223.03984	3.9
223.05891	1.0
224.04750	1.6
227.03468	1.2
229.05061	2.4
235.02415	1.5
239.03442	1.0
240.04265	2.7
241.05118	7.0
241.14461	6.9
242.14809	0.8
253.09271	2.1
255.03014	1.0
256.03699	2.7
257.04620	6.0
258.05560	0.8
267.02954	1.4
268.03790	4.0
269.04517	2.3
284.03326	18.4
285.04099	50.3
286.04803	11.0
287.05652	12.4
299.05722	1.2
299.25906	1.4
301.10892	1.9
345.30161	3.7
353.06802	1.0
371.27939	1.1
429.08047	1.1
459.11380	2.4
485.13132	8.1
489.34378	40.3
490.34814	6.6
504.11166	1.9
507.35468	16.4
508.35864	3.1
519.27008	2.0
519.76794	1.4
533.33569	11.7
534.77130	1.0
549.15753	1.1
549.35406	2.5
550.16626	1.3
550.35474	0.8
576.14825	2.6
593.15137	27.7
593.24988	1.3
593.35394	1.5
593.78516	0.8
594.15985	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20727	0.3
53.96312	0.5
57.03339	0.5
58.02597	0.7
58.02863	8.9
59.01264	20.1
61.98716	6.9
62.36869	0.4
71.01267	4.9
72.00797	2.9
72.99198	0.9
73.02828	2.1
74.02372	2.2
75.00786	1.0
77.04291	0.5
80.04942	0.4
82.06515	1.3
82.88016	0.4
83.01260	1.2
84.00787	0.5
85.02854	2.6
87.00758	2.1
88.44578	0.4
88.98725	0.7
89.02346	1.5
91.05463	0.5
93.02847	0.5
93.03361	4.6
95.01254	0.6
97.02763	0.6
99.00793	0.9
99.04415	0.7
99.35446	0.5
101.02344	3.6
103.00302	0.4
106.04150	0.8
107.04935	1.6
108.02036	0.8
108.77587	0.4
109.02846	0.8
111.01913	1.2
112.07571	2.2
113.02348	1.9
114.01858	1.0
116.04971	5.3
117.03426	0.5
118.06546	7.3
119.03592	0.6
119.04942	13.6
119.06764	0.5
120.05285	0.5
121.02859	1.3
125.02348	1.4
126.09166	0.9
127.08729	0.5
129.10262	29.8
130.08681	2.4
130.10591	0.9
130.99774	0.6
133.05296	2.3
133.06184	0.4
134.03674	0.4
134.06044	6.7
135.04477	0.9
136.07605	1.7
139.08687	3.6
140.07130	1.2
141.10269	0.5
143.11835	1.8
146.06020	0.6
149.02304	0.6
149.06049	0.5
151.00307	1.0
151.08694	1.2
152.07086	1.6
154.08693	2.1
155.08205	18.1
155.09465	1.0
156.06831	0.4
156.08562	0.5
157.05278	0.8
161.04478	1.5
161.07086	0.8
162.03096	0.5
162.05566	3.2
163.02690	0.8
163.03958	8.5
164.04787	0.7
164.98172	0.7
165.09039	0.6
167.08191	1.0
169.09781	2.2
171.11337	3.7
172.09792	1.1
178.06248	0.5
179.07089	0.7
180.06628	24.4
181.06911	1.3
187.05112	4.0
187.10841	2.7
189.06697	0.6
190.02631	0.5
199.18063	0.7
200.05814	0.5
205.05006	0.8
211.10866	1.7
213.05544	0.6
213.13986	7.0
214.12329	1.0
219.14882	0.6
222.09268	0.8
224.10643	0.5
229.04996	0.5
229.13475	1.0
231.07832	0.6
231.15036	3.3
241.13458	2.2
242.11845	1.4
243.06454	0.5
243.22481	0.5
247.14629	2.3
249.16121	11.1
250.16399	1.2
255.06702	0.4
256.14526	1.6
257.10446	0.6
257.12985	8.4
258.13449	0.8
259.14349	0.5
269.04480	0.9
271.05475	0.5
273.16046	0.9
274.15555	1.0
275.14014	3.9
283.06073	0.6
284.03348	1.5
285.03992	3.1
285.18231	1.7
293.15158	20.2
294.15396	1.5
298.15549	1.4
302.15286	0.4
306.50299	0.5
309.19800	9.9
310.20041	1.1
311.09418	0.6
316.16797	0.7
326.22412	0.9
341.14194	0.6
353.13849	0.5
368.23529	3.7
369.23965	0.5
377.18814	1.9
379.20413	0.7
394.21414	2.0
412.22446	2.3
420.19174	0.7
421.17661	3.5
428.13983	0.5
431.27130	0.7
438.20538	3.8
439.20605	0.6
449.27008	0.5
465.19250	0.8
465.58978	0.5
489.34650	2.8
507.35263	0.6
531.30707	0.7
533.32904	1.5
549.32288	2.5
550.31604	0.5
566.35797	0.5
575.29138	2.1
576.29315	0.5
593.14685	2.6
593.29883	100.0
594.15833	1.4
594.30231	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67211	2.0
57.03318	6.6
58.00479	4.2
59.01265	91.7
61.98717	11.0
62.66158	2.5
68.35510	2.1
69.03300	2.7
71.01272	89.5
71.50764	4.5
72.99176	9.6
73.02831	19.0
75.00745	7.9
81.03347	2.9
83.01279	12.4
85.02841	34.7
87.00766	11.6
89.02338	66.1
95.01266	10.2
96.95902	5.5
97.02855	2.6
99.00791	10.4
101.02348	78.5
102.02689	2.6
107.02368	2.2
108.02104	17.3
109.02846	6.2
113.02355	41.7
117.03351	7.5
119.03413	22.7
119.04977	10.8
121.02850	2.6
123.04443	2.6
125.02402	11.4
128.37726	2.0
129.01877	2.7
131.03424	13.7
133.02815	2.7
135.02831	3.5
135.04414	8.8
136.98724	4.2
137.02356	3.8
138.03270	2.1
141.01834	2.9
143.03386	9.1
145.02864	4.4
147.04420	3.6
149.02359	3.8
149.06020	2.4
150.13194	2.6
150.51602	2.4
151.00266	9.3
151.03889	3.5
152.01093	34.4
153.01851	3.1
159.02960	4.0
161.02332	4.0
161.04486	29.6
163.03876	6.4
163.06007	5.2
164.98207	3.0
165.05484	2.7
177.01855	2.3
179.03323	2.5
179.05580	58.2
190.02626	6.2
198.03154	2.1
199.03812	3.3
202.02707	2.4
203.03543	4.3
205.05019	4.1
213.05496	2.9
221.04633	3.6
221.06659	52.1
222.07043	2.3
241.04819	2.6
251.07289	2.5
255.03044	3.5
257.04556	3.0
263.07748	34.2
269.04449	8.5
271.05933	2.8
281.04468	2.6
282.05380	4.9
283.06128	3.0
284.03345	25.5
285.01013	4.7
285.04068	63.2
286.04379	7.1
287.05566	5.9
295.06091	4.8
297.07684	5.8
311.05615	12.8
312.06171	3.0
323.05502	6.2
325.07175	5.0
339.04910	3.1
341.06754	3.8
351.04999	4.2
353.06686	14.4
365.06699	3.7
369.06262	4.4
371.17010	6.0
383.07874	15.3
395.07535	3.1
399.07422	2.6
413.08679	4.4
431.17807	2.8
434.01563	2.6
447.11716	10.9
473.10818	9.2
477.13855	2.6
489.09854	3.9
503.11743	5.3
533.26184	70.6
534.26086	10.3
575.14154	24.9
576.13892	3.6
593.15088	100.0
593.26599	10.3
594.15308	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78088	0.3
54.11052	0.3
59.01256	1.0
63.83986	0.4
69.34121	3.3
69.34522	0.8
71.18112	0.4
78.95792	69.4
84.03315	0.4
88.91138	0.4
96.96862	13.0
115.23961	0.3
118.98521	0.3
124.97598	0.4
127.29878	0.4
143.93433	0.4
150.97946	1.2
152.99522	100.0
153.99841	1.3
171.00615	2.6
189.51868	0.3
223.00139	10.4
224.00525	0.4
241.01205	25.0
242.01622	0.4
259.02286	1.4
259.20648	0.8
277.21774	48.2
278.22119	4.0
286.76437	0.4
315.01263	0.8
315.04947	14.1
316.05389	0.6
333.06091	1.0
593.27429	97.9
594.27789	15.8
594.37457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.6
61.26638	0.5
61.98710	1.5
69.59282	0.4
70.67432	1.3
78.95792	73.6
96.96861	13.6
112.24973	0.4
115.20532	0.4
131.42477	0.5
134.98503	0.4
150.97923	0.8
152.99522	61.6
153.99857	1.3
155.36510	0.4
171.00558	0.8
209.11787	5.0
216.46933	0.4
223.00105	2.2
241.01204	31.2
242.01454	0.8
259.02347	0.6
277.21771	51.7
278.22171	5.0
284.03259	1.2
285.04089	2.4
286.04608	0.5
291.19751	1.0
309.20755	1.5
315.04956	9.3
333.05841	0.6
350.00665	0.4
383.07864	0.5
413.21036	4.8
414.21848	0.8
431.21997	1.0
549.11664	0.5
564.26727	0.5
593.27429	100.0
594.17169	0.8
594.27716	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2653
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.32581	0.9
52.64839	0.9
59.01255	3.2
61.98717	10.5
71.01283	7.9
73.02808	1.1
78.95784	1.8
78.98476	5.0
79.95176	1.7
79.95625	26.6
80.96410	49.6
85.02832	2.7
87.00753	3.3
91.59090	0.9
94.97987	12.6
96.95886	1.8
97.02846	1.2
98.19661	2.0
101.02329	1.8
106.97946	1.3
114.85078	0.9
122.97496	2.3
125.02345	3.3
134.48088	0.9
134.97481	4.1
135.04439	1.3
136.99066	1.2
148.99097	4.1
149.99156	0.8
152.98570	3.6
159.81067	1.0
161.04367	1.0
164.98595	11.5
187.66675	0.9
190.75679	0.9
206.99631	2.7
221.93848	0.9
225.00754	11.9
230.16528	1.5
241.00305	2.6
284.03317	1.3
285.04178	4.4
299.04587	3.6
341.05435	1.1
371.06461	2.7
455.16040	2.3
495.18781	1.2
593.16162	3.6
593.26434	100.0
594.16864	1.2
594.26678	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	593.2652
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
55.44486	0.7
58.71828	0.6
59.01262	2.5
61.98398	0.9
61.98709	5.1
63.96128	1.3
69.03345	0.8
69.40047	6.5
71.01278	7.6
72.99202	1.3
73.02837	2.4
78.98484	5.6
79.95627	9.1
80.96410	63.2
81.03342	0.7
82.95290	1.5
83.01305	1.1
85.02869	4.0
87.00790	2.8
91.05444	1.4
93.03333	1.0
94.97988	14.6
96.95921	1.0
97.02843	1.5
99.00788	1.0
101.02358	3.0
105.83456	0.7
106.97993	1.7
109.02868	2.0
121.02843	7.3
122.97517	3.2
123.04446	0.8
125.02371	3.9
127.03931	0.9
133.02863	1.2
134.97473	3.8
135.04469	8.5
136.99066	1.5
145.02895	1.0
147.04465	0.9
148.99083	4.9
149.06059	0.6
151.00316	1.0
152.98596	5.8
164.98590	12.9
167.00069	0.9
187.03989	0.8
206.99661	2.8
209.04553	1.5
225.00746	14.2
226.01109	0.7
253.08809	1.0
257.08154	1.1
284.03415	6.6
285.04108	11.0
286.04440	0.8
299.04520	2.7
327.18558	0.8
339.12573	1.5
457.16730	0.9
461.15903	1.3
487.17410	1.2
488.18323	0.9
575.17322	2.8
593.15540	9.4
593.26630	100.0
594.16101	2.5
594.26984	14.5
599.17725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21834	0.5
57.03328	1.7
59.01263	5.5
61.98719	5.9
65.00186	0.5
65.03849	1.4
67.01756	0.5
67.13701	0.5
71.01266	15.0
71.07701	1.4
72.99199	9.8
73.02833	1.0
75.00724	0.4
81.03352	0.5
83.01286	1.7
85.02857	1.8
87.00797	1.3
87.79333	0.5
88.98702	0.8
89.02313	1.8
91.05423	3.9
93.03367	3.1
99.04474	0.6
101.02370	2.7
107.01254	0.6
108.02094	0.8
109.02857	20.1
112.35134	0.4
113.02366	1.7
115.00294	4.2
117.03395	1.7
117.05503	1.1
119.03468	0.5
119.04945	1.9
121.02872	8.5
122.02407	0.7
122.03773	0.9
123.04430	0.4
125.02362	7.1
132.57451	0.4
133.02895	1.7
135.04445	64.5
136.04807	2.0
137.02367	3.5
138.01865	0.7
147.04449	5.3
148.05272	3.3
149.02388	1.9
151.00304	2.5
152.01089	0.5
159.03064	0.6
159.04453	0.7
161.02380	3.5
161.04562	1.4
163.03975	0.7
164.98125	0.6
165.05324	0.9
167.07065	2.7
171.10283	0.5
174.59555	0.5
175.00351	1.5
177.01920	0.8
178.99753	0.5
179.03429	4.6
190.02634	1.3
191.03412	0.5
191.05481	0.5
191.07175	0.5
193.08673	10.0
194.08963	0.8
205.05083	1.3
211.07710	0.6
223.06044	1.1
224.06476	1.0
231.14507	0.5
252.07996	0.9
253.09131	0.7
255.06628	1.2
269.04520	0.6
269.08197	0.5
270.09039	2.7
271.06085	1.3
281.04727	0.7
283.06168	6.1
284.03339	2.4
284.06570	1.2
285.04077	3.7
287.05389	0.6
293.04636	8.0
294.05045	0.6
297.11374	1.3
299.05478	0.9
309.03976	2.4
311.05646	10.9
312.05878	1.2
315.12445	100.0
316.12766	9.0
323.05243	0.8
327.05219	3.3
341.06662	1.8
356.13031	0.7
357.06226	1.1
357.22937	2.1
368.10223	0.6
369.10931	0.6
371.15088	2.1
413.08755	3.9
414.09650	0.6
429.08444	2.6
431.09882	15.4
432.10284	1.8
447.09360	1.9
449.20401	1.8
477.17786	25.7
478.17990	3.8
491.20514	0.5
561.15942	1.0
575.17798	5.0
576.17871	0.7
593.18530	16.9
593.31940	6.5
594.19373	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	593.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
57.03332	2.1
58.00466	0.7
59.01266	15.8
60.01600	0.4
61.98717	9.6
65.00214	1.3
69.19661	1.5
69.20082	3.3
71.01268	8.0
72.99210	0.9
73.02839	1.8
74.02344	0.4
75.00764	1.2
83.01303	2.1
85.02847	3.5
87.00779	1.2
88.98702	1.3
89.02334	4.2
91.01793	1.5
93.03368	2.5
95.01286	0.6
96.95870	0.4
99.00786	0.7
99.78115	0.5
101.02352	4.0
102.24293	0.4
107.01317	1.2
107.04914	0.7
108.02083	0.5
109.02872	1.1
113.02340	2.8
118.08544	0.5
119.01308	5.4
119.03464	1.2
119.04930	0.6
120.01723	0.5
121.02885	4.2
123.04469	0.6
125.02374	8.9
132.71161	0.4
133.02884	0.9
134.02710	0.4
134.03673	2.6
135.04478	3.7
137.02399	2.9
143.03497	0.5
147.00812	4.7
147.04482	0.6
148.01459	0.5
149.02394	10.0
149.06049	0.5
150.03023	1.6
151.00288	3.3
151.03976	1.2
152.01108	2.0
153.01823	0.6
161.02444	1.1
161.04509	0.8
163.03947	3.9
164.03439	0.8
164.04747	10.5
164.77171	0.4
165.01854	2.1
165.05434	1.3
167.03481	0.8
169.05016	0.5
171.10262	0.5
173.06047	0.5
175.00328	29.2
176.00691	2.2
177.01892	1.5
179.07143	1.6
189.01863	0.8
189.12819	1.2
190.02693	80.8
191.03064	5.8
193.01434	0.5
193.05109	0.4
194.02217	0.7
199.03993	0.7
205.05052	79.2
206.05478	4.8
207.02991	0.9
208.03799	1.4
209.04572	2.5
212.01532	0.4
213.89661	0.4
223.04086	0.5
223.06116	7.7
224.06529	0.8
236.77316	0.4
247.06183	1.7
249.60146	0.4
251.05620	0.8
253.05043	0.6
256.03793	0.6
263.08817	0.5
265.07208	2.2
269.04568	4.1
273.07764	0.8
284.03394	4.5
284.96466	0.5
285.04077	8.3
286.04547	1.0
287.05698	0.5
301.07077	0.7
308.96130	0.5
356.12750	0.6
371.15259	2.2
372.15521	0.5
386.11472	0.5
464.09692	1.3
533.33453	0.7
547.27325	0.5
549.16772	0.6
563.21484	1.6
578.24030	0.7
593.16272	7.6
593.26086	100.0
594.16125	3.1
594.26221	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	45.0
59.01265	30.1
69.03337	3.7
69.39525	8.5
71.01270	15.6
71.69180	0.9
72.99224	1.0
73.02841	5.4
73.87025	1.0
75.00754	1.9
76.64539	1.1
81.03310	2.6
83.01278	51.5
83.04900	1.7
85.02834	4.7
87.00804	1.1
89.02343	6.0
92.10617	1.1
93.03373	2.2
95.01305	1.9
96.25491	1.1
96.95874	0.9
97.02850	12.5
99.04417	45.0
101.01707	1.7
101.02350	32.5
109.02884	1.0
111.04428	1.8
113.02359	10.8
117.03360	3.5
119.03463	1.3
119.04983	1.0
123.04407	1.7
125.02366	100.0
126.02686	3.1
131.03427	1.5
133.70155	1.1
135.04404	2.7
143.03433	8.2
143.04489	1.7
149.02396	2.4
155.03445	8.4
159.04443	1.2
159.67009	1.0
161.04498	9.0
163.03894	1.5
167.03430	2.9
173.04462	2.0
175.03879	1.3
177.05455	2.0
179.05563	2.2
185.04503	3.7
191.03448	1.9
203.05547	4.5
215.05611	1.7
243.08638	3.1
245.06691	7.3
282.05341	1.7
283.06253	3.0
295.06122	4.0
296.07004	3.2
297.07718	22.4
298.08087	1.9
305.08749	1.8
307.06256	2.5
309.07648	2.3
311.05646	4.7
323.05670	3.8
323.09439	1.3
325.07242	10.1
326.07971	1.2
328.05991	1.3
329.08978	5.1
335.05917	1.6
337.07123	2.5
353.06729	46.8
354.07037	7.3
355.08160	1.6
365.06635	5.0
369.12131	2.5
371.09891	6.8
383.07794	25.9
384.08060	3.5
395.08051	2.3
413.10263	2.2
431.12033	19.8
432.12329	3.3
451.02057	1.1
473.10791	10.5
503.12347	3.7
593.15210	98.0
594.15527	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40382	0.9
62.78918	0.9
69.52605	3.0
69.53024	3.9
77.84232	0.8
92.84843	0.9
93.03370	1.1
117.03368	4.0
135.04410	1.2
147.04485	1.0
161.02365	1.9
163.04025	1.1
177.05531	1.1
178.67921	1.2
179.80919	1.0
191.03510	1.5
191.69400	0.9
233.04460	1.3
238.06349	1.1
263.49451	0.9
266.81998	1.0
282.05396	3.2
283.06174	2.3
295.06070	4.5
296.06781	2.9
297.07776	16.9
298.08142	2.0
307.06100	2.3
309.07797	1.3
311.05566	2.8
323.05637	2.3
325.07291	8.7
326.07666	1.4
328.05923	2.8
335.05414	1.7
337.07275	2.3
351.05316	1.2
353.06744	56.9
354.07220	7.5
355.08243	2.1
356.05420	1.6
365.06744	5.7
383.07785	32.0
384.08090	3.9
395.07678	4.2
413.08774	3.1
455.09763	1.3
473.10889	12.1
503.11887	3.6
593.15222	100.0
594.15552	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1527
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01761	0.4
57.03338	18.9
59.01266	5.2
61.98717	2.0
64.94831	0.3
65.00205	0.8
69.03334	0.7
71.01264	2.6
72.99191	0.8
73.02849	0.9
75.00755	0.5
81.03345	0.5
82.79308	0.4
83.01289	1.1
85.02843	1.4
87.00754	0.6
88.98679	0.6
89.02344	0.9
92.99777	0.3
95.01291	0.5
97.02852	3.9
98.20561	0.8
99.00733	0.4
99.04421	12.1
101.02344	5.9
107.01337	0.5
107.04983	0.3
108.02087	0.5
109.02869	0.5
113.02367	1.3
117.03400	0.6
118.85702	0.3
119.04963	1.6
119.26508	0.3
121.02856	0.4
123.04443	0.4
125.02368	25.1
126.02718	0.6
132.02072	1.3
133.02884	28.7
134.03717	1.6
135.04448	30.6
136.04764	1.4
137.02373	1.0
143.03470	1.6
143.04436	0.4
149.02254	0.3
151.00276	1.6
159.04460	0.4
161.02390	100.0
162.02711	5.6
164.98228	1.5
177.01822	0.4
177.05363	0.4
179.03462	22.9
180.03783	1.2
203.03505	0.6
203.05434	0.7
205.14925	0.3
210.04047	0.7
269.04434	0.5
271.06085	0.7
284.03339	4.1
285.04089	7.6
287.05374	0.5
323.07919	2.3
329.08856	2.1
329.94940	0.3
337.09491	0.4
365.04272	0.5
365.08701	3.5
369.12286	0.7
405.11996	2.0
431.12048	10.4
432.12360	1.1
449.11038	9.7
450.11203	1.3
491.12054	19.6
492.12531	2.8
531.15204	15.5
532.15485	2.4
593.15271	15.8
594.15631	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	593.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.0
59.01265	4.2
61.98719	2.5
63.02288	0.7
65.00203	1.8
67.01804	0.5
71.01268	3.9
71.46946	0.3
71.51669	0.4
72.99208	1.2
73.02846	1.0
75.00774	1.1
80.04993	0.3
83.01282	1.8
83.77908	0.3
85.02854	2.0
87.00796	1.0
88.98711	0.8
89.02347	2.5
89.13858	0.2
91.01778	0.3
93.03362	0.6
95.01302	1.3
96.95939	0.9
97.02848	0.3
99.00792	1.2
99.04391	0.3
101.02344	2.5
107.01295	2.1
108.02090	3.8
109.02878	1.8
113.02370	1.6
115.00288	0.3
117.03400	1.6
117.20935	0.3
119.03414	0.9
119.04960	1.7
121.02905	1.1
122.03615	0.3
123.00852	0.5
123.04469	0.5
123.08089	0.3
123.49327	0.3
124.01589	0.4
125.02383	2.3
131.03468	0.4
132.02119	0.5
133.02888	2.7
134.03708	0.6
135.02890	0.7
135.04462	2.5
137.02377	0.9
139.03983	0.4
141.01917	0.5
143.03450	0.6
143.04973	0.6
145.02916	0.6
147.04485	0.7
149.02412	1.3
149.06015	1.3
149.99519	0.3
151.00307	5.5
151.03925	0.5
152.01108	6.0
153.01863	1.3
157.06526	0.6
159.04420	0.7
161.02399	1.2
161.04488	0.8
161.06015	0.4
163.00203	0.3
163.03984	1.2
163.06088	0.5
164.98251	1.0
165.01866	1.0
165.05522	0.9
169.01369	0.3
169.06555	0.4
171.04469	0.7
173.04628	0.4
173.06023	0.4
175.00336	0.6
175.03978	1.9
175.05309	0.3
177.01927	1.6
177.05534	0.8
179.03467	0.6
179.05548	1.1
179.07121	1.4
181.01500	0.3
181.05005	0.4
183.04594	0.6
183.29054	0.3
185.06000	2.2
187.03966	1.2
189.05530	0.4
190.02698	0.7
191.03499	0.5
191.06938	0.3
192.00650	0.3
195.04488	0.5
195.99997	0.4
197.06071	0.7
198.03271	0.4
199.03897	1.6
200.04788	0.7
201.01962	0.7
201.11317	0.6
203.03464	1.4
205.05096	0.7
211.04015	1.5
212.04744	0.4
213.05518	2.3
215.03458	0.6
217.05066	1.9
221.04643	0.4
221.06606	0.5
223.04016	1.0
227.03485	2.8
228.04028	0.6
229.05069	1.4
239.03481	1.3
240.04254	1.1
241.05083	4.2
255.03070	2.8
256.03766	2.5
257.04593	7.6
258.04926	0.5
267.03198	0.7
268.03885	0.9
269.04602	3.5
271.02719	0.5
271.06186	0.8
281.04617	0.4
283.02463	0.8
283.05975	0.4
284.00034	0.6
284.03326	25.7
285.04102	100.0
286.04446	6.5
287.05688	1.9
295.06186	0.7
297.04269	0.4
297.07715	0.9
298.04840	0.4
299.05484	0.7
307.06174	0.7
309.04034	0.8
309.07794	0.4
311.05682	1.1
312.06421	0.4
323.05646	0.7
325.07294	0.6
327.05197	1.3
339.05029	0.4
341.06573	0.7
345.13446	4.1
353.06647	1.8
357.06204	0.4
369.06152	0.7
383.07791	1.6
399.07431	0.4
413.08850	0.9
429.10907	0.3
431.09387	0.5
431.22632	0.6
447.11404	2.9
471.09268	0.5
473.10947	1.6
489.10507	0.9
503.11990	0.7
511.26877	0.3
533.26019	1.4
575.14160	3.7
576.14886	0.5
593.15198	51.1
593.26941	2.5
594.15540	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	593.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98032	0.5
54.36163	0.4
57.03326	0.5
59.01263	8.5
61.98712	0.9
65.00192	0.5
70.65551	0.8
71.01270	6.0
72.99201	0.7
73.02821	1.9
73.15772	0.4
74.01327	0.5
75.00757	0.9
83.01284	1.7
85.02834	1.7
87.00768	0.9
89.02334	3.1
93.03352	1.2
95.01285	1.0
96.95933	0.7
97.02844	0.7
99.00806	0.7
101.02342	4.1
103.03931	1.1
108.02080	0.7
109.02877	1.2
113.02357	1.7
113.54743	0.5
117.03383	3.2
119.03423	1.2
119.04918	0.8
121.02871	2.1
125.02348	1.3
133.02875	5.8
134.03613	2.3
135.00879	0.5
135.04460	1.8
137.02371	0.8
143.03453	1.0
145.02910	0.6
145.04921	0.7
147.04411	1.0
149.02385	2.1
151.00331	1.1
151.03955	0.6
161.02379	2.6
161.04474	0.7
163.00323	2.1
163.03928	1.2
163.06090	3.6
165.01857	1.2
167.03485	0.5
173.02393	0.6
173.05978	0.6
175.00320	0.9
175.03915	1.3
177.01903	2.2
179.03429	1.4
179.05673	0.6
189.01959	1.1
191.03435	1.8
193.01338	0.9
199.04013	0.9
201.01961	1.8
203.03455	1.2
205.07085	1.1
207.03079	0.7
213.05621	0.8
214.06430	0.7
215.03465	0.6
221.04636	0.9
223.07895	0.5
225.05554	1.0
227.03444	1.0
229.05067	0.8
233.04640	0.8
239.03496	0.7
241.05055	1.2
243.03165	0.7
253.05148	1.0
254.05670	0.8
255.03171	0.9
255.06668	0.6
257.04495	1.1
265.05121	0.6
269.04553	3.5
270.05328	1.1
281.04556	3.1
282.05405	5.7
283.06137	7.1
284.03296	2.7
284.06375	0.7
285.04132	13.1
286.04416	0.8
293.04483	0.9
295.02914	0.9
295.06158	3.3
296.06879	1.7
297.04102	16.6
297.07712	5.1
298.04880	49.5
299.05414	6.6
307.06271	1.0
309.04163	12.9
309.07660	1.2
310.04541	1.3
311.05710	12.1
312.06287	1.9
314.04443	1.1
321.04187	0.8
323.05640	4.6
324.06427	0.8
325.03482	2.1
325.07233	2.6
326.04181	2.6
327.05167	14.5
327.09055	0.7
328.05542	1.7
330.03790	3.1
335.05820	1.1
337.07346	1.4
338.04233	0.8
339.05103	6.3
340.05658	0.8
341.06760	2.6
351.05203	1.9
353.03000	1.3
353.06790	9.0
355.04547	0.8
356.05191	0.6
357.06183	7.8
358.06485	0.7
363.05038	0.8
365.06747	3.1
369.06198	2.3
381.06253	1.4
383.07782	13.2
384.08093	1.2
387.20538	0.9
395.07755	2.2
399.07504	0.8
411.07388	0.6
413.08917	4.2
425.08878	0.7
429.08401	8.3
430.08524	0.9
431.09854	1.9
443.09720	1.0
447.09518	1.5
455.10037	0.6
459.09439	2.2
473.11026	25.4
474.11584	2.8
485.10974	0.9
503.12228	14.5
504.12225	1.9
517.13715	0.7
533.13373	2.6
533.26038	7.6
541.40674	0.5
557.13452	0.6
575.14551	3.2
593.15271	100.0
594.15692	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	592.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.3
61.98716	100.0
62.47279	0.1
62.98420	0.2
63.16610	0.1
69.28888	0.7
69.29311	0.4
71.01280	0.2
78.54687	0.1
78.95820	0.1
80.96413	0.3
85.02855	0.1
98.20590	0.2
121.02868	0.1
135.04442	0.1
139.59874	0.1
157.85078	0.1
173.26352	0.1
285.04150	0.7
294.21619	0.2
368.62943	0.1
399.47000	0.1
550.40814	0.1
592.16907	0.2
592.25433	0.3
593.15350	0.3
593.26599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23254	0.6
51.97927	0.6
53.80329	0.6
59.01009	0.6
59.01270	10.0
61.98709	1.3
65.00206	1.0
65.48956	0.6
71.01266	3.0
71.38812	1.2
72.99181	1.0
73.02827	1.5
81.86038	0.6
83.01259	0.8
85.02838	1.7
87.00766	1.1
88.98688	0.8
89.02342	1.8
93.03355	1.8
101.02309	3.0
107.01238	0.7
109.02850	0.8
117.03369	4.2
119.04932	1.0
121.02845	1.4
123.04421	0.9
125.02316	1.0
131.01335	0.8
133.02834	3.4
135.00757	0.9
136.01591	1.1
136.98763	0.6
137.02348	1.5
149.02423	1.0
161.02344	3.5
163.00288	2.2
163.03931	1.1
163.06104	1.4
164.01175	4.5
165.01845	2.9
167.03477	0.7
173.02382	0.7
175.00308	4.7
175.03928	0.7
177.01889	2.2
179.03366	0.8
189.01910	6.4
190.99765	1.3
191.03491	0.8
193.01367	0.7
201.01952	0.8
203.03419	0.9
205.01402	1.2
205.07225	0.8
206.02174	1.4
207.02940	2.9
209.06119	1.0
213.05482	0.8
215.03416	0.7
219.02943	1.4
225.05467	1.2
227.03540	0.9
237.05528	2.0
239.03525	1.0
240.03984	0.7
241.04932	1.5
253.05087	2.2
255.03011	1.2
265.05161	2.8
269.04590	2.8
270.05124	0.7
279.06680	0.9
281.04633	7.3
282.05161	1.6
283.02777	0.9
283.06113	1.5
284.03323	11.4
285.04117	8.5
286.04568	1.2
293.04608	1.6
295.06265	1.4
297.04083	7.7
298.04858	12.4
299.05618	4.2
308.03308	1.3
309.04114	43.3
310.04489	3.5
311.05481	3.3
312.06021	1.1
323.05624	1.0
326.04379	3.3
327.05151	17.3
328.05286	1.3
329.06616	0.8
330.03848	1.6
338.04581	0.7
339.05084	6.7
351.05084	4.9
357.06268	6.2
358.06512	0.9
369.06247	1.7
381.06308	0.9
387.20496	0.8
393.06485	0.9
411.07166	1.4
429.08356	15.8
430.08710	2.2
431.09891	0.8
447.09406	1.3
473.10968	28.2
474.11224	3.6
524.12756	0.7
533.26251	6.3
575.14221	1.8
576.13757	0.8
593.15222	100.0
594.15485	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.3
61.98717	100.0
71.01273	0.7
72.99205	0.2
73.02857	0.2
78.95810	0.8
79.95650	0.5
80.96408	2.4
82.96205	0.2
85.02865	0.2
87.00772	0.2
88.98727	0.4
89.02364	0.3
91.05436	0.4
93.03384	0.8
94.98005	0.4
96.95899	0.2
98.20613	0.5
101.02346	0.4
108.02080	0.2
109.02891	0.8
121.02870	16.5
125.02338	0.3
135.04466	2.6
137.02490	0.4
148.99144	0.3
149.06035	0.4
152.99551	0.3
159.08067	0.4
161.02396	0.3
164.98579	0.5
165.01920	0.8
168.85757	0.2
181.06529	0.5
189.09135	0.4
197.06114	0.5
209.02519	0.5
209.04538	9.3
209.07906	0.3
209.11887	0.3
211.07675	0.3
225.00810	0.7
225.05603	0.3
251.07491	0.3
253.09335	0.3
269.08392	0.6
271.58667	0.3
284.03403	0.9
285.04074	1.1
293.21307	0.3
294.21701	0.5
295.22498	0.5
296.22910	0.7
309.07767	0.3
335.13361	0.3
347.13083	0.7
382.13815	0.3
383.08011	0.3
441.17245	0.7
457.16867	0.5
469.16708	1.2
471.18396	0.7
505.11453	0.4
549.10828	1.1
593.13562	3.2
593.26282	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	592.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01262	1.5
61.98717	100.0
62.98421	0.3
71.01265	0.6
71.26385	0.4
71.26707	0.3
78.67625	0.3
80.96409	0.8
85.02848	0.5
101.02364	0.6
109.02893	0.5
121.02864	5.1
125.02382	0.5
133.02911	0.4
135.04436	0.7
161.02365	0.4
162.62669	0.3
165.01891	3.0
209.11784	0.5
284.03326	1.8
285.04025	2.1
405.12183	0.3
405.89337	0.3
592.18207	0.3
592.79669	0.4
593.14337	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	591.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.7
57.03329	1.9
59.01261	100.0
60.01606	1.4
61.98431	0.6
61.98695	3.4
69.03324	0.6
71.01269	14.7
72.99203	1.0
73.02837	6.6
75.00766	0.6
83.01270	6.4
85.02835	9.4
87.00764	1.2
88.14770	0.5
89.02348	2.0
93.07011	1.7
95.01303	1.5
97.02837	1.1
98.19784	1.4
99.00784	2.6
101.02341	12.2
103.16077	0.6
109.02854	1.0
111.00787	1.2
112.01570	0.5
113.02352	7.3
115.03931	0.9
119.03426	0.9
119.04924	0.5
122.75609	0.5
125.02354	1.7
143.03435	1.5
143.10719	1.6
159.03018	1.5
161.04501	5.2
185.06108	0.6
211.17047	0.7
213.18681	2.2
229.05089	1.1
325.27686	1.1
343.28735	1.5
357.22757	4.0
375.23959	5.9
376.24408	0.8
457.31528	0.7
469.31851	1.1
487.32858	57.7
488.33191	7.4
505.33948	22.4
506.34570	3.0
534.27728	2.8
547.34216	2.2
591.33148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.0
57.43487	1.7
59.01265	100.0
61.98721	11.8
71.01273	22.2
71.51804	2.8
72.99200	3.1
73.02834	7.4
78.95782	2.3
80.96415	3.7
83.01289	5.8
85.02855	12.9
87.00782	3.0
89.01525	1.9
89.02351	9.3
91.67097	1.8
93.07040	1.9
96.95921	4.6
99.00803	3.1
101.02327	14.3
111.00717	2.3
113.02345	10.2
115.07518	2.6
119.03411	2.0
128.38474	2.4
129.96454	1.8
135.04451	2.8
143.03412	2.8
161.04393	4.3
163.03941	2.8
196.23123	1.9
207.10156	2.5
227.48445	2.0
343.28580	2.3
422.18713	2.0
487.32959	37.8
488.33148	5.8
505.33948	16.4
506.33722	2.9
531.35828	6.4
549.34479	2.2
591.19659	3.1
591.39215	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14964	0.6
50.59719	0.5
55.01766	0.8
57.03335	4.0
58.00483	0.8
59.01261	100.0
60.01600	1.6
61.98708	1.9
69.03356	1.5
69.82440	1.8
69.82849	2.4
71.01266	17.9
71.04913	1.0
72.99213	1.2
73.02840	3.7
75.00790	0.8
83.01266	2.9
85.02832	7.5
85.06487	1.7
87.00783	1.3
89.02338	4.5
93.03400	0.7
95.01294	1.5
97.02905	0.8
98.20482	0.8
99.00800	2.2
99.04465	0.9
101.02341	10.8
108.02097	1.1
109.02903	1.1
111.00817	0.8
113.02353	8.4
119.03420	1.1
119.04961	1.8
121.02898	1.0
125.02402	2.3
131.03441	0.7
135.04456	1.9
143.03438	1.8
143.10718	3.6
149.02415	0.7
152.01089	1.4
159.02928	1.5
161.04506	7.6
165.01917	0.6
179.03326	0.6
185.69725	0.6
191.03526	0.8
211.17070	0.9
263.09442	0.8
269.04395	0.8
285.07693	0.6
313.27640	1.5
325.27786	1.6
326.76193	0.6
341.13998	1.1
343.28571	8.2
409.13068	0.8
410.13647	0.7
411.13760	2.1
413.83112	0.8
429.15527	0.9
439.30737	1.0
469.31873	0.7
487.32861	46.7
488.33194	7.0
505.33981	11.7
506.34518	1.1
532.99036	0.6
547.34827	2.8
591.20459	11.6
591.35052	2.9
592.21326	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2629
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.76283	1.7
55.18504	1.3
58.84814	1.4
60.12365	1.4
70.99895	3.1
71.00226	1.4
105.24564	1.6
105.59297	1.8
113.04839	1.5
172.81291	1.4
265.22757	1.4
284.51593	1.6
308.88425	1.5
318.90021	1.6
334.63699	1.4
337.50009	1.4
381.85931	1.6
443.22897	3.8
456.23096	1.6
459.22101	3.9
471.25687	4.6
472.23465	2.2
473.23727	1.8
487.25284	3.5
497.23114	3.5
499.21408	3.3
500.22116	14.9
501.22479	3.4
515.24634	100.0
516.24854	18.2
519.23999	2.1
559.23688	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	591.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31147	1.0
55.01757	1.2
57.03326	1.9
58.00473	2.6
59.01263	55.2
61.98703	3.5
69.03351	2.1
71.01270	43.4
72.99185	6.3
73.02834	27.2
74.15947	0.8
75.00745	2.2
81.03342	1.3
83.01286	5.3
83.04929	1.9
85.02844	18.1
85.99957	0.9
87.00771	9.4
87.04422	2.7
89.02338	21.6
93.03329	1.1
95.01293	2.3
96.95914	1.8
97.02843	3.7
97.06487	1.0
98.20583	1.9
99.00782	2.4
99.04443	1.8
101.02348	47.5
103.03913	21.9
108.02053	1.3
108.05751	1.2
109.02851	2.4
111.00792	1.1
111.04453	1.1
113.02362	7.6
115.03925	4.8
119.03410	11.7
123.08113	1.6
125.02364	14.1
125.98506	0.9
127.03912	3.2
131.03423	8.6
135.02893	2.6
136.05228	1.2
137.02386	2.1
138.06801	7.6
139.07529	2.6
143.03438	11.8
145.05017	5.3
151.03885	1.1
151.07623	6.7
152.01100	1.4
152.08380	16.1
153.01837	1.0
153.09174	24.4
161.04568	1.9
163.06082	38.7
163.11244	2.9
164.06323	1.3
165.05328	1.0
173.84637	1.0
177.01840	1.1
187.69733	1.1
191.03386	1.1
205.07190	14.7
205.12323	53.6
206.07477	1.0
206.12701	2.8
219.02429	0.9
223.13373	2.1
224.88095	0.9
247.08255	3.4
247.17302	1.1
265.09375	1.9
283.05981	1.6
307.06458	1.4
307.10342	7.6
311.05612	1.6
323.05560	1.1
351.04980	1.3
353.06601	1.6
369.06134	1.3
379.16309	1.2
383.07770	2.5
385.18607	2.4
411.14395	1.8
419.52853	1.0
471.09381	5.0
472.09668	1.7
494.37930	1.0
501.10498	1.0
503.12000	2.6
531.24609	100.0
532.24847	15.0
551.47375	0.9
591.12347	5.0
592.14490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23801	0.5
52.30814	0.5
54.53925	0.5
57.03324	1.8
58.00496	0.7
58.64577	0.5
59.01268	25.5
59.74495	0.5
61.98719	17.4
62.41152	0.6
64.35782	0.6
65.00214	0.7
67.31840	0.5
69.03329	0.8
69.33897	0.9
69.34302	4.7
71.01272	10.7
72.99190	2.2
73.02848	3.8
74.03163	0.6
75.00750	1.1
83.01284	1.9
85.02843	5.0
87.00773	2.1
88.98705	1.4
89.02343	5.2
93.03349	1.0
95.01283	1.3
95.04956	0.7
96.95915	4.3
97.02862	0.9
99.00769	1.7
99.04436	0.7
101.02351	6.3
105.36770	0.6
107.01288	0.6
107.04889	0.6
108.02080	1.1
109.02872	1.3
111.00776	1.0
113.02355	4.5
119.01288	1.8
119.03391	1.2
119.04927	2.3
121.02861	3.4
125.02348	2.1
129.01837	0.6
131.03421	0.8
132.02164	0.7
134.03624	1.7
135.04463	2.4
137.02310	1.2
138.06767	0.7
141.01941	0.6
147.00801	2.1
147.04488	0.8
149.02385	8.8
150.02852	1.2
151.00296	1.5
151.03929	1.6
151.07623	0.9
152.01147	3.6
152.08345	1.4
153.09117	1.4
159.04494	0.6
161.02374	0.9
161.04501	2.1
163.03923	2.4
163.11362	0.7
164.04756	9.7
165.01863	1.2
165.05415	1.6
166.04982	1.1
175.00333	13.4
177.05501	0.9
179.07114	2.0
189.01933	0.7
190.02699	35.3
191.03188	3.2
191.05406	0.6
193.05040	2.0
203.03384	0.7
205.05051	32.0
205.12363	2.1
206.05495	3.6
208.03662	1.6
209.04582	0.8
221.08183	1.7
223.06097	12.9
249.05759	0.6
253.05116	3.7
265.07220	5.9
267.06525	0.6
268.03818	6.4
269.04401	1.7
282.05170	0.8
283.06149	13.6
284.03641	0.6
284.06339	2.8
285.07138	1.2
295.06006	2.3
296.06506	2.5
297.06952	3.0
298.07874	1.6
309.04114	0.9
309.07510	1.1
310.04568	1.4
310.07849	1.2
311.05093	1.2
311.08362	1.1
312.06064	1.8
313.07141	5.6
314.07352	4.3
315.07840	4.6
315.11023	0.6
323.05185	0.8
324.06290	0.9
325.06653	3.0
326.07474	3.8
327.08060	3.8
328.08755	2.5
329.09503	1.7
337.07153	2.1
338.07556	1.8
339.07761	2.9
340.05695	1.3
341.06485	6.2
342.06979	6.1
343.07361	6.6
353.06876	0.7
355.08200	8.6
356.08737	12.7
357.09015	17.9
358.09589	5.2
359.10434	1.1
366.10519	0.8
367.11023	0.7
385.11911	2.6
399.13931	1.1
409.12131	1.3
410.13068	1.0
411.10880	2.3
412.11072	3.6
413.11642	7.0
414.11874	0.8
426.13080	2.1
427.13385	3.5
428.14038	4.4
429.14740	1.1
521.15912	2.9
531.32208	5.6
532.31580	1.1
549.32916	2.0
552.14032	1.3
573.18237	0.7
591.18982	100.0
592.19910	9.3
592.25000	4.9
599.44391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32303	0.5
57.03371	0.9
59.00988	0.6
59.01263	11.0
61.98718	7.4
69.03396	0.5
69.51844	3.5
71.01271	4.9
72.99224	0.8
73.02836	2.2
75.00800	1.1
78.95819	0.4
81.03405	0.6
83.00349	0.4
83.01268	2.6
85.02824	2.2
87.00842	1.5
88.98767	1.6
89.02332	3.3
93.03419	1.8
95.01366	1.2
96.95962	0.6
98.19752	0.5
99.00817	1.1
99.04449	0.5
101.02341	4.0
108.02072	2.8
109.02870	3.9
111.00836	0.5
113.02447	2.0
117.05514	0.5
119.03511	0.6
119.05019	0.6
121.02878	3.3
121.06556	0.6
121.57671	0.4
122.03721	0.7
123.00858	1.7
123.04518	1.3
125.02370	3.8
127.00346	0.4
129.01953	0.5
133.02908	2.5
133.06517	0.5
134.03722	1.5
135.03015	1.1
135.04436	2.6
136.01593	43.6
137.02406	8.6
139.04012	0.6
147.04515	0.6
149.02457	1.5
149.04604	1.2
149.06010	0.7
150.03040	0.6
151.00342	8.8
151.03944	58.3
152.01074	2.3
152.04314	2.8
153.01961	1.7
157.20253	0.5
159.04539	1.1
160.01662	0.5
160.04053	1.5
160.05278	0.9
161.02446	2.2
161.04601	1.3
162.03224	0.7
163.00484	0.4
163.04022	1.5
164.04826	0.7
165.01912	1.1
165.05556	1.0
166.02666	27.6
167.03391	2.3
174.01701	0.6
175.00346	0.9
175.04074	1.6
175.07683	0.9
177.01935	2.8
177.05602	1.0
179.03471	0.9
179.05736	0.6
179.07071	0.5
181.05025	35.3
182.05460	1.6
187.04074	0.9
188.04825	1.4
189.05592	0.7
190.02774	1.6
190.06332	0.6
191.03531	1.0
192.04306	0.5
193.01503	0.5
193.05048	0.9
203.07045	0.6
205.05084	1.8
207.06694	0.5
253.05032	0.5
255.02965	0.7
268.03796	0.8
269.04596	1.1
271.06436	1.1
283.02695	1.1
283.06354	0.6
283.09955	1.6
284.03638	0.6
285.04205	1.3
285.07736	0.4
295.05859	0.5
296.06702	0.5
297.07910	0.7
298.04742	0.6
299.06049	0.5
301.11139	0.6
311.05707	0.6
311.09241	0.6
313.07297	0.7
324.06244	0.5
325.07462	0.8
327.08801	0.5
329.10413	2.1
341.06982	0.6
343.04578	0.9
343.08316	1.9
357.09851	15.0
358.10284	2.2
367.07974	0.6
369.13397	1.2
371.07779	1.9
372.08307	0.3
372.12247	7.6
373.12628	1.2
385.09241	1.4
386.10150	0.8
387.14575	100.0
388.14929	12.0
411.10883	0.6
429.16290	0.9
531.27362	0.5
547.14374	0.6
560.78571	0.8
591.17175	16.2
591.31641	1.0
592.17462	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.9
59.01265	12.3
61.98716	6.7
64.85594	0.3
65.03854	1.7
67.01785	0.8
69.03347	0.5
69.52182	1.1
69.52614	1.3
71.01268	4.9
72.99204	1.4
73.02838	1.5
77.42677	0.2
83.01274	1.0
85.02858	2.1
87.00755	0.6
88.98705	0.4
89.02345	1.5
91.04854	0.4
91.05428	6.6
93.03332	1.8
95.01284	0.6
96.95927	0.4
97.02843	0.3
99.00783	0.7
101.02354	2.9
107.04930	0.4
108.02090	2.2
109.02859	23.0
110.03196	0.7
111.00794	0.5
113.02373	1.7
116.92710	0.3
119.03397	0.3
119.04900	0.8
121.02875	11.6
123.04478	0.4
125.02357	2.4
133.02844	0.7
134.03673	0.7
134.75941	0.3
135.04445	70.7
136.04782	2.2
137.02362	0.5
147.04457	6.9
148.05101	0.5
149.02361	0.4
149.05989	0.6
150.03192	0.4
151.00348	0.6
151.03989	0.5
152.01024	0.8
159.04489	0.4
161.02348	0.6
161.04558	0.6
161.06044	1.0
163.03896	0.7
164.07973	0.3
164.14954	0.3
175.02328	0.3
175.03938	0.3
177.01859	0.7
180.07845	0.5
189.09125	0.3
193.05032	0.3
193.08701	1.0
193.16496	0.3
195.10278	2.6
205.08736	0.3
206.09497	3.0
207.10126	0.5
217.08818	0.3
218.09453	0.5
219.10249	0.8
221.11835	10.0
222.12288	0.3
225.09319	0.6
227.07207	0.5
241.08722	0.4
255.02959	0.4
255.06651	0.3
269.04712	0.5
269.08179	1.0
269.11743	0.4
270.08795	0.4
271.06104	0.4
275.16650	0.4
283.02744	0.5
283.09799	1.4
284.03152	0.4
285.04181	0.4
291.98755	0.3
293.11661	0.3
299.09265	0.3
301.14389	0.5
310.12244	0.7
311.12872	0.4
313.07538	0.3
313.10748	1.4
325.14523	0.9
328.13239	1.1
343.15558	100.0
344.15909	9.1
351.08887	0.3
369.13318	0.5
387.27448	0.3
406.15607	0.3
459.29703	0.8
461.08560	0.3
487.19852	1.0
487.32977	0.9
505.21002	1.3
505.33954	0.4
531.31921	7.4
532.32404	0.5
547.21936	8.6
548.22296	0.9
549.32587	1.9
591.19641	1.9
591.34418	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	590.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21339	0.8
57.03323	1.0
59.01267	9.8
61.98717	81.4
63.47768	0.9
71.01273	10.6
71.51640	1.3
72.99193	3.7
75.00757	9.8
85.02836	14.7
87.00780	4.0
89.02341	4.2
93.19274	0.9
95.01295	3.4
99.00770	4.9
102.08648	0.9
102.09768	1.0
103.00346	1.7
113.02351	18.2
113.38982	0.8
115.00280	1.4
116.61948	1.0
117.01862	2.5
129.01872	1.4
164.38583	1.1
175.02403	2.1
183.13963	1.3
208.85754	0.8
236.12793	1.0
238.19968	1.0
249.06230	2.5
267.07285	3.4
277.21783	31.6
278.22202	2.1
279.23447	3.7
350.61252	0.9
404.61670	0.9
527.28723	100.0
528.29059	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	591.1737
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03329	0.9
59.01259	9.1
61.98714	6.5
65.00208	0.5
71.00664	0.3
71.01268	7.1
71.04915	1.1
71.12802	0.9
72.99195	0.9
73.02839	1.6
75.00769	0.7
75.05173	0.3
78.95780	0.4
83.01282	1.5
85.02837	2.8
87.00765	0.9
88.98699	1.1
89.02348	2.5
91.01775	0.6
91.05415	0.6
91.29665	0.3
93.03344	1.9
95.01284	0.7
96.95909	1.5
97.02861	0.7
99.00786	0.8
99.04401	0.4
101.02345	3.9
107.04912	0.6
108.02072	1.0
109.02866	1.3
113.02350	2.8
117.03382	1.2
117.05486	9.3
119.01313	2.2
119.03388	0.7
119.04906	1.7
121.02872	10.8
122.31915	0.4
123.00769	0.4
123.04437	0.6
124.43833	0.3
125.02360	2.9
131.03413	0.4
132.02097	1.1
133.02856	0.6
133.06573	0.4
134.03658	1.6
135.04456	4.9
136.01601	0.5
137.02370	1.1
137.09650	0.4
145.02875	0.4
147.00795	2.0
147.04437	3.1
148.01607	0.5
149.02377	51.7
150.02718	2.6
151.00325	1.0
151.03957	1.1
152.01108	3.9
153.01874	0.7
159.04497	0.5
161.02409	1.9
161.04517	1.0
162.03189	0.6
163.03949	5.5
164.04736	39.6
165.01871	2.3
165.05078	1.8
165.17397	0.4
167.03441	0.9
169.05011	1.4
175.00327	17.4
176.00797	1.0
177.01904	1.0
177.05586	0.6
179.03513	0.7
179.05644	0.4
179.07086	5.6
181.05005	0.5
189.01929	1.4
189.12775	0.5
190.02686	46.8
191.03119	2.9
193.01395	8.3
194.01756	0.5
203.03496	0.4
205.05046	52.6
206.05399	3.6
207.02950	2.2
208.03757	19.0
209.04253	0.8
217.01442	1.0
219.06680	0.6
221.08034	0.6
223.06120	100.0
224.06470	6.3
232.03761	1.4
247.06119	3.8
252.04201	0.5
253.09261	0.3
255.03156	0.5
265.07339	0.6
267.06665	0.6
269.04639	0.4
271.06033	0.3
279.09766	0.3
283.02536	1.2
283.05948	0.5
285.04193	0.6
287.05530	0.7
297.07642	0.7
298.05020	0.4
311.05859	0.4
328.05908	0.7
337.05740	2.7
352.08087	5.9
353.08511	0.7
367.10400	47.7
368.10739	5.1
369.09561	0.5
369.13681	0.7
385.11520	0.8
531.31610	2.0
549.32623	0.5
591.16895	4.1
591.31372	1.3
592.18042	0.8
607.16736	0.3
612.23676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
55.48691	0.3
57.03321	0.6
58.80496	0.3
59.01266	26.2
59.53137	0.3
60.33971	0.3
61.30350	0.3
61.98706	1.5
68.28730	0.3
68.99735	0.3
70.89792	0.6
70.90109	0.5
71.01270	5.6
71.04908	2.6
72.99155	0.4
73.02836	1.3
83.01273	0.7
83.04958	0.4
85.02848	1.7
87.00778	1.2
87.21879	0.4
89.02335	4.7
92.60390	0.4
96.95955	0.5
99.00807	0.5
101.02341	5.2
102.65696	0.4
113.02348	2.9
119.03404	1.6
143.03413	0.8
161.04509	2.1
177.16418	0.6
179.05568	1.1
186.02206	0.3
197.15411	0.4
209.15495	1.2
221.15421	0.7
223.17035	2.2
231.21198	0.9
235.08298	1.0
235.17056	19.0
236.17352	1.2
253.09322	25.8
254.09691	1.3
275.20212	23.1
276.20480	2.5
293.21292	100.0
294.21649	10.4
306.72821	0.4
390.63641	0.4
435.61237	0.4
529.29816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	24.6
61.98702	7.3
69.34984	0.8
69.70102	3.7
69.70510	1.7
71.01263	4.0
71.04909	1.5
85.02850	1.3
87.00781	1.1
89.02327	4.3
96.95940	2.4
101.02346	5.2
108.74227	0.7
113.02351	3.1
114.04041	0.8
115.50224	1.1
119.03468	1.1
121.10144	0.8
135.04568	0.7
146.94157	0.7
161.04497	2.5
171.10214	2.1
183.13887	3.9
195.13846	1.8
202.84760	1.1
211.13367	1.3
223.16870	2.0
231.21132	1.3
235.08206	1.8
235.17056	9.9
236.17401	1.4
253.09340	25.0
275.20203	17.2
276.20645	2.2
288.96490	0.9
293.21301	100.0
294.21649	12.4
300.42346	0.9
589.19214	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	590.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.1
59.01267	27.6
60.84900	0.9
61.98707	3.4
64.23120	1.0
64.85643	0.9
65.00198	1.0
71.01266	14.6
71.30922	2.0
72.99165	1.1
73.02834	10.7
74.03168	0.9
75.00766	1.7
81.03339	2.1
82.67551	0.8
83.01281	3.4
85.02843	2.7
86.02346	1.1
87.00764	2.6
89.02332	5.9
93.03352	3.2
95.01299	1.2
95.04906	1.0
96.95914	1.0
97.02855	2.3
99.00775	1.5
101.02348	15.3
103.03894	2.3
107.01273	1.3
107.04929	1.1
109.02860	3.6
109.26534	1.0
113.02390	4.6
117.03353	3.3
119.03435	2.3
119.04927	2.7
120.04444	1.0
121.02911	1.9
121.27061	1.0
123.04422	3.7
125.02380	5.5
131.03499	2.2
133.02850	3.1
134.02414	2.1
135.02885	2.4
135.04454	2.9
137.02359	3.6
139.03935	1.3
143.03426	3.1
147.03270	1.0
147.04465	1.0
148.03992	2.0
149.02382	3.5
149.04465	2.0
149.06091	1.0
150.03175	2.7
151.00288	1.4
151.03941	3.5
153.01855	1.1
160.03981	2.6
161.02353	3.5
161.04515	3.0
163.00269	1.2
163.03955	2.3
163.06073	6.9
165.01894	3.1
166.02675	2.2
167.03386	3.2
173.02232	1.0
174.05537	1.7
175.03996	2.7
176.03514	1.3
177.01949	5.0
177.04218	6.3
177.05560	1.8
178.02686	1.4
178.04977	1.4
179.03444	6.2
180.04259	1.5
189.05537	1.3
190.02541	1.2
191.03455	4.0
193.01352	2.2
193.05031	1.2
195.02930	1.5
197.04501	1.4
200.03465	1.9
202.05067	1.0
203.03494	2.9
204.06520	1.5
205.01445	2.1
205.03786	7.3
205.07179	2.5
206.02127	1.8
206.04564	1.8
207.02983	3.4
209.04506	1.7
213.05702	1.3
215.03545	1.4
216.06628	2.4
217.05009	1.3
218.04652	1.1
219.03064	2.2
220.03641	1.0
221.04552	2.0
221.06541	1.7
222.07294	1.0
233.04639	2.3
233.15550	1.6
235.02489	3.2
237.04054	1.3
239.05589	2.2
245.04778	1.5
255.06738	1.1
260.05624	1.2
261.03992	1.2
265.03500	1.0
268.07504	1.4
271.06244	1.3
282.05347	1.3
283.06183	3.9
285.04117	1.1
295.06351	2.8
296.06982	1.8
297.07803	5.8
298.04761	5.3
299.05582	3.0
309.07651	2.1
311.05612	5.9
312.06293	1.9
313.07132	2.9
322.07407	1.4
323.05582	3.9
325.07159	4.1
326.07321	1.4
327.04980	4.9
337.07330	2.2
338.08917	19.3
339.05133	5.4
339.08887	2.1
340.08490	1.2
341.06738	3.4
353.06735	10.9
364.08487	1.7
365.06622	2.0
368.07605	1.2
369.06046	7.0
380.07739	1.1
382.09433	2.2
383.07751	6.4
392.07870	2.2
395.07587	1.4
398.08926	1.3
399.07208	5.7
410.08939	7.1
411.07928	1.4
412.10486	4.4
413.09052	3.1
417.08090	1.3
422.08475	4.7
428.12051	9.9
429.07993	3.1
429.12503	2.6
434.08786	1.4
440.09854	12.1
441.09125	2.3
442.11139	1.4
443.10074	6.8
452.09933	2.9
453.09204	1.0
457.10141	2.2
459.09229	3.7
464.10370	1.3
470.11176	5.7
471.10406	2.8
473.11115	3.7
482.10883	5.8
484.12311	1.2
500.12100	23.8
501.12808	1.8
512.12006	2.9
530.13214	8.2
531.12274	2.1
533.13135	23.5
534.13458	4.1
549.12817	7.2
572.14215	12.2
573.14026	2.7
590.15265	100.0
591.15509	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	589.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88387	0.1
56.10457	0.1
57.48643	0.1
58.45324	0.1
59.01267	0.3
61.98700	0.1
70.16159	0.4
70.16577	0.2
70.39094	0.1
72.99197	2.1
75.00765	100.0
76.01099	1.0
143.15471	0.1
228.59319	0.1
253.09265	0.1
261.25842	0.1
277.21906	0.4
278.22028	0.3
279.22546	0.2
293.21454	0.2
385.77188	0.2
439.83075	0.1
448.69424	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	589.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	3.0
58.00473	3.8
59.01264	100.0
61.98703	5.6
64.40656	1.8
71.00900	3.7
71.01272	56.0
71.52080	3.5
72.99179	5.6
73.02835	38.0
75.00750	4.8
82.11015	1.9
83.01283	20.9
84.33839	1.7
85.02834	11.7
85.94760	2.0
87.00767	17.3
89.02332	23.5
93.03333	6.3
95.01270	5.2
96.95862	2.8
97.02847	2.3
99.00768	6.0
99.04412	4.0
101.02344	50.4
108.02061	10.7
109.02831	3.6
111.00764	4.6
113.02364	23.7
113.99484	14.4
115.00281	19.7
119.03427	13.6
119.04868	2.2
123.04501	2.6
125.02357	6.6
131.03389	5.6
133.01349	2.3
133.05023	2.9
135.02907	4.6
135.04425	2.9
136.87418	2.1
137.02351	9.3
143.03439	5.5
149.02330	3.4
149.04495	10.7
151.00266	3.4
152.01096	23.0
156.00606	21.2
159.10219	5.4
161.04494	21.4
163.03989	3.2
174.01659	40.2
175.02446	37.8
175.03911	2.9
179.03511	2.2
179.05527	9.4
191.03470	2.2
219.03062	2.6
221.06628	7.3
227.03616	2.0
233.15460	9.0
242.02176	6.8
255.02901	8.4
281.04416	2.0
283.02444	6.0
283.06183	8.4
284.03275	9.0
285.04144	21.8
286.04352	2.2
323.05627	8.8
353.06772	3.6
367.21228	12.0
390.11728	2.3
413.08859	36.0
414.09131	5.3
427.10062	2.4
429.10229	2.3
447.09378	13.0
455.16147	1.9
455.22876	4.5
469.20847	5.5
511.21942	2.4
545.13293	2.7
557.12970	6.8
571.12952	2.1
586.50171	2.1
589.12695	10.7
589.21844	15.7
590.14227	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	589.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83121	1.2
55.01788	0.9
57.03325	2.3
58.00476	2.1
59.01266	100.0
59.53177	0.9
60.01594	1.9
61.98706	6.0
69.03345	2.7
71.01270	48.9
71.52045	1.8
72.99206	2.5
73.02837	48.4
75.00764	3.8
81.03384	1.7
83.01276	17.9
83.04922	2.4
83.46959	1.0
85.02848	7.8
87.00773	8.8
89.02341	16.7
93.03360	3.1
95.01306	2.6
95.04956	1.4
96.95925	2.7
97.02855	2.0
97.06513	1.0
99.00768	2.4
101.02346	48.4
108.02088	2.7
109.02858	1.6
111.00806	1.6
111.04430	3.0
113.02359	22.3
115.00327	2.5
115.03915	1.1
119.03409	10.5
119.04945	1.7
120.97258	1.1
121.02858	1.5
123.00758	1.1
123.04435	3.0
125.02387	7.1
129.01923	1.1
131.03487	5.4
133.01401	2.5
133.02789	1.1
135.02924	5.3
135.04422	2.3
137.02400	3.9
138.05540	1.1
142.02766	1.0
143.03453	7.0
149.02435	2.5
149.04509	12.6
149.05743	1.3
151.00298	2.6
152.01109	4.2
153.01880	2.2
155.03481	2.5
160.03979	1.2
161.02428	2.1
161.04497	23.5
163.06093	2.1
165.05505	1.6
175.02489	1.1
179.05617	1.6
193.05054	1.6
203.05559	2.5
221.06677	10.4
223.47356	1.0
233.15555	11.1
245.15375	2.1
255.05141	1.8
267.65201	1.0
275.05728	2.1
281.04645	1.6
283.06213	1.2
287.10452	1.2
287.16632	1.5
295.06302	1.7
311.05569	2.4
316.72672	1.0
327.05200	1.6
351.05301	1.4
455.22864	5.8
478.73517	1.1
509.24133	1.7
545.25714	2.7
557.13281	5.1
589.15247	5.7
589.25140	4.8
590.15747	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	589.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.8
59.01265	22.7
61.98724	9.9
71.01264	5.2
71.59828	1.0
73.02821	1.9
75.00748	1.1
83.01283	1.9
85.02853	3.5
87.00741	0.8
88.93222	0.7
88.98707	2.4
89.02329	2.1
93.03374	1.3
95.01256	0.8
99.00750	1.1
101.02309	3.7
108.02091	1.0
109.02872	2.4
113.02360	2.2
119.03425	1.0
119.04963	1.2
120.03792	0.8
121.02833	1.3
125.02399	3.9
135.04457	2.7
148.01590	1.0
151.00343	1.3
161.02412	0.9
161.04541	1.2
188.01093	2.5
197.02603	1.0
209.11844	3.1
243.06703	1.3
253.05087	1.4
255.03140	0.9
268.03741	1.6
269.04617	1.1
271.06201	1.9
281.04617	1.2
297.04190	3.2
309.04123	26.3
310.04428	2.7
323.05823	1.8
323.09262	6.6
323.12772	1.4
337.07175	1.5
339.12463	1.0
341.06757	0.9
341.14246	1.2
351.08707	9.2
352.09570	25.1
353.10034	3.1
365.10318	2.9
366.11032	2.2
367.11917	100.0
368.12186	9.7
409.13223	1.4
465.60013	0.9
529.17322	30.0
529.33685	2.7
530.17664	5.8
545.24805	1.5
545.32550	1.0
547.34973	1.5
589.19019	8.1
589.33826	2.4
590.19470	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56622	0.3
57.03334	1.1
59.01263	6.3
61.98714	3.0
69.32262	1.1
69.32680	1.8
71.01278	3.3
72.99202	0.9
73.02834	0.5
75.00755	0.6
78.95794	0.3
83.01299	0.4
85.02847	1.1
87.00765	0.9
88.98701	1.2
89.02351	1.9
91.01841	0.3
93.03366	0.4
96.95927	2.0
97.02861	0.3
98.20511	0.5
99.00768	0.7
101.02320	1.8
107.01357	0.3
107.04927	0.3
108.02053	0.6
109.02894	1.4
113.02340	1.3
117.05497	0.7
119.03409	0.4
119.04939	0.4
120.31657	0.3
121.02875	1.4
123.04464	0.5
125.02365	2.8
127.03904	0.4
133.02855	0.9
133.06516	0.4
135.04453	1.8
137.02394	0.6
145.02861	0.4
147.04436	0.6
149.02359	0.6
149.04544	0.6
149.06042	0.5
151.00298	1.1
151.03922	0.3
153.01801	0.6
153.09172	0.4
159.04395	0.5
160.01614	0.5
161.02382	0.9
161.04486	0.7
175.02518	0.3
175.03963	0.8
175.07614	0.5
179.05576	0.4
189.09138	0.4
193.08600	0.4
201.09192	0.5
203.03505	0.5
205.05072	0.4
205.08670	0.7
219.10214	0.8
240.58698	0.3
253.05188	0.4
263.76306	0.3
264.07562	0.3
268.03775	0.5
269.04782	0.4
271.06210	0.5
279.06628	0.4
283.06064	1.0
285.04239	0.5
287.05820	0.5
295.06247	0.4
299.05524	0.3
307.06116	1.0
309.04105	0.4
311.05679	0.4
323.05576	1.5
323.09311	1.9
323.12662	0.5
324.09659	0.4
335.05579	1.7
335.09396	1.6
336.06052	0.5
337.07312	1.6
337.10950	0.8
341.14029	4.1
342.14368	0.5
347.05536	0.6
349.07278	1.3
349.10852	1.0
350.07507	0.4
351.08881	1.0
352.09756	0.5
353.06500	0.9
353.10333	4.8
354.10873	0.4
361.10873	0.4
364.09534	0.6
365.10425	8.6
366.10794	1.3
367.08267	4.0
367.12122	1.1
367.77576	0.3
368.08646	0.5
377.10263	2.2
378.11118	0.7
379.11945	2.2
381.09827	2.6
382.10477	1.0
383.11459	15.5
384.11807	2.0
393.09677	1.5
394.10690	1.3
395.11502	4.3
396.12231	3.1
397.13013	5.6
398.13223	1.0
407.11438	2.6
408.12366	2.6
409.13071	1.2
411.10947	21.2
412.11520	4.3
413.12460	0.9
425.12567	13.4
426.13211	11.6
427.14108	10.3
428.14807	1.6
529.34155	0.5
545.19720	0.4
558.17419	0.5
559.18195	1.4
571.18115	1.0
579.17151	0.5
589.19379	100.0
590.19727	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	589.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61951	0.4
57.03335	0.9
59.01265	11.6
61.98717	74.6
71.01271	4.9
71.51531	0.6
72.99206	1.2
73.02848	1.3
74.26060	0.4
75.00766	0.5
78.53832	0.4
83.01286	1.7
85.02847	2.4
86.35026	0.4
87.00780	1.8
87.80442	0.4
88.98715	0.7
89.02322	2.4
93.03376	0.8
95.01293	0.6
96.95904	2.9
97.02849	0.6
98.31536	0.4
99.00784	1.4
101.02348	3.2
109.02877	1.3
110.03524	1.7
111.00768	0.5
113.02361	2.8
119.03396	0.8
119.04971	1.2
121.02884	1.2
125.02379	1.9
133.02914	0.9
133.06583	0.7
134.03667	0.6
135.04485	0.8
137.02412	1.2
147.04504	0.8
149.02382	0.7
149.04524	0.5
149.06107	0.6
151.00365	1.4
151.04095	0.5
159.04472	1.2
161.02428	0.7
161.04544	1.2
163.03995	0.6
165.05571	0.5
175.03897	0.7
175.07684	0.5
181.61806	0.5
191.03436	0.4
193.05101	0.7
201.05270	0.4
203.03415	0.7
205.12317	0.7
227.07065	0.5
238.06584	0.5
255.98442	0.6
268.03922	0.7
269.04620	0.5
271.06155	1.2
282.05368	0.5
283.06180	0.8
285.04269	0.6
295.06110	0.7
298.04855	0.6
300.65085	0.4
307.06296	0.7
309.04117	0.9
311.05746	1.6
312.06479	2.4
313.07080	0.9
323.05685	0.7
323.09430	1.4
325.06830	0.9
335.05707	1.1
335.09467	1.9
337.07187	0.9
337.11032	0.8
349.07306	1.0
349.10916	1.0
351.08850	0.8
352.09589	1.0
353.06430	0.8
353.10294	4.7
355.08374	0.6
363.08771	0.7
365.10437	7.2
366.02780	0.8
366.10925	1.3
367.02673	1.3
367.07788	2.2
367.12091	4.0
368.02057	1.1
374.31619	0.5
377.10278	2.7
379.11969	1.9
381.09769	2.1
382.10431	1.0
383.11481	14.9
384.11795	1.8
385.09198	0.6
389.10529	0.6
393.10083	1.6
394.10703	0.7
395.11462	4.6
396.12341	2.9
397.12973	6.7
407.11588	3.5
408.12085	2.2
409.12936	1.5
411.10934	24.1
412.11377	3.6
425.12579	16.4
426.13272	14.0
427.13950	4.1
529.34509	1.0
545.16797	0.6
571.18469	1.7
589.19397	100.0
590.19739	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	589.194
Annotation	12-Dihydrodalbinol O-glucoside
Peak:m/z	Relative Intensity
57.03347	0.4
59.01261	6.1
61.98719	3.5
69.03282	0.2
71.01266	2.0
71.23564	0.6
73.02828	0.8
73.53701	0.3
75.00773	0.3
83.01295	0.5
85.02822	1.3
87.00786	0.5
87.95111	0.2
89.02336	0.4
93.03353	0.4
95.01286	0.3
97.02857	0.3
99.00785	0.4
101.02343	1.2
108.02059	0.3
109.02879	0.9
113.02334	1.1
119.04910	0.5
121.02864	0.7
125.02388	1.6
128.05109	0.3
131.35068	0.3
133.02875	0.6
135.04431	1.2
137.02393	0.5
147.04480	0.4
148.01534	0.3
149.05930	0.3
151.00302	0.4
152.01108	0.3
161.02386	0.7
161.04449	0.5
163.03973	0.4
175.02283	0.3
177.01955	0.4
197.02846	0.3
205.08685	0.5
209.11813	0.6
217.08624	0.4
235.09735	1.0
243.06895	0.3
280.09995	0.3
301.10883	0.6
307.06265	0.8
315.12622	0.4
319.05737	0.3
323.05789	0.6
323.09436	1.0
324.06195	0.4
325.07187	0.4
334.08401	0.6
335.05533	0.9
335.09366	1.1
336.09888	0.3
337.07178	1.9
337.11014	0.8
338.07568	0.4
339.12653	0.4
340.86429	0.3
349.07169	1.4
349.10818	0.7
351.08603	0.6
352.09512	0.4
353.06491	0.5
353.10342	3.9
354.10648	0.5
355.08212	0.5
356.05185	0.3
363.08627	0.5
364.09570	0.4
365.06573	0.4
365.10385	5.7
366.10922	1.1
367.08270	3.9
367.12054	1.3
368.08762	0.5
377.10471	1.7
378.11081	0.8
379.11685	1.5
381.09802	1.8
382.10516	0.4
383.11429	12.9
384.11737	1.6
393.09756	0.9
394.10638	0.7
395.11401	4.2
396.12253	3.3
397.12985	5.5
398.13632	0.5
407.11444	3.3
408.12143	1.2
409.12772	1.1
411.10913	17.0
412.11435	3.3
413.12427	0.8
425.12534	10.8
426.13232	13.2
427.13940	3.5
441.11841	0.4
529.33917	0.5
545.24280	0.8
559.18292	1.2
571.18115	1.6
589.19373	100.0
590.19727	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	589.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.7
57.03336	1.8
58.00480	3.9
59.01265	82.9
60.01603	0.8
61.98717	1.5
66.92011	0.5
70.54009	1.7
71.01270	45.4
72.01618	0.9
72.35677	0.4
72.99200	4.0
73.02838	1.5
76.00841	0.4
81.21896	0.5
83.01271	3.1
85.02840	10.6
86.03144	0.5
87.00784	1.8
89.02339	41.0
95.01276	4.0
99.00778	0.8
101.02348	25.3
105.15311	0.5
113.02357	15.1
114.02759	0.6
119.03418	17.8
120.03812	0.5
125.02409	0.6
131.03444	1.3
133.02963	0.9
143.03458	2.3
148.01605	1.6
149.04530	1.6
159.21634	0.5
161.04492	1.6
179.05574	3.2
191.03502	3.2
244.89305	0.5
267.06638	1.0
279.06598	1.3
281.04660	0.9
295.06226	1.8
296.06573	0.6
311.12814	0.7
323.05707	3.6
324.06403	7.5
337.07108	0.7
339.08835	11.1
359.22775	0.5
376.09998	0.8
391.11990	0.6
394.10605	17.2
395.10983	1.9
409.13004	47.4
410.13498	5.7
589.19397	100.0
590.19775	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32719	0.4
55.01759	0.5
57.03308	1.1
59.01265	16.5
61.98426	0.5
61.98716	5.4
70.94619	0.8
71.01270	5.6
72.99197	1.1
73.02819	2.7
75.00755	0.8
83.01266	1.5
83.04916	0.6
85.02841	2.5
87.00760	1.2
89.02335	2.6
93.03325	0.5
95.01290	0.8
96.24328	0.4
96.95903	1.1
99.00774	1.1
101.02357	4.7
103.03871	0.5
108.02050	0.4
109.02847	1.4
111.62392	0.4
113.02344	3.3
116.92722	0.6
119.04948	0.9
121.02851	1.0
123.00780	0.5
125.02360	1.7
131.03424	0.7
131.04910	0.5
133.02878	0.9
135.04457	0.7
143.03432	0.8
147.04414	0.4
148.01633	0.4
149.02361	0.6
149.06026	0.5
151.00262	0.6
151.03934	0.7
152.01189	0.5
161.02415	0.8
161.04471	1.2
161.05769	0.5
163.03987	0.7
174.03294	0.4
179.05586	0.5
202.02737	0.9
205.08728	0.5
208.99564	1.0
219.06627	0.5
235.09756	0.6
253.05164	0.6
261.07758	0.9
268.03790	0.4
269.04724	0.5
281.04605	0.7
282.05386	1.0
283.06122	0.4
295.06207	0.8
296.06860	0.6
298.04880	0.5
299.05679	0.6
309.04016	1.1
311.05518	0.7
312.06638	0.6
313.07190	0.5
323.05579	0.7
324.06427	0.9
325.07224	1.2
337.07187	0.5
340.05688	0.6
353.06467	0.6
353.10373	3.7
355.08209	0.7
365.10425	5.8
366.10895	1.2
367.11938	2.1
379.11841	2.1
381.09543	1.9
383.06714	0.8
383.11438	15.6
384.11746	1.7
393.09918	1.7
394.10474	0.9
395.11423	3.9
396.12204	2.2
397.13013	7.3
398.13162	0.6
407.11578	4.1
408.11969	1.8
409.13028	1.5
410.13623	0.5
411.10934	20.3
412.11334	3.2
412.75586	0.4
413.12207	0.8
425.12476	14.5
426.13263	12.2
427.13889	6.0
428.14334	0.6
485.31088	0.7
529.30219	2.4
545.33044	0.6
547.31567	0.7
571.17657	0.6
589.19391	100.0
590.19720	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1939
Annotation	12-Dihydrodalbinol O-glucoside
Peak:m/z	Relative Intensity
59.01269	1.4
59.01530	0.2
61.98737	0.2
65.18850	0.2
70.83054	0.2
70.83386	0.5
71.01271	0.7
89.02333	0.6
91.36205	0.2
101.02320	0.4
119.03400	0.3
121.02829	0.3
125.02361	0.2
148.01585	0.5
160.21153	0.2
162.03192	0.2
174.03145	1.8
186.03146	0.3
191.03461	0.3
202.02687	5.7
203.03185	0.6
203.90666	0.2
207.03032	0.4
214.02672	1.3
232.03732	0.6
238.06416	0.6
239.06967	0.3
250.06346	0.4
251.07167	0.4
253.05069	0.2
254.05818	0.8
265.05215	0.3
266.05847	1.1
267.03204	0.4
267.06604	0.6
269.08188	0.5
278.05716	0.2
279.96979	0.2
280.07434	0.3
281.04678	0.5
281.07977	0.4
282.05325	1.6
283.06192	3.2
284.06650	0.4
287.68475	0.2
291.92142	0.2
293.04654	0.9
294.05249	1.4
295.02533	1.8
295.06152	4.3
296.03564	0.2
296.06799	1.1
297.07690	2.7
298.08063	0.4
307.06076	0.8
308.06839	0.4
309.04083	1.3
309.07764	1.6
310.04892	2.3
310.08148	0.3
311.05569	1.8
312.06445	1.8
313.03546	0.3
313.07227	6.4
314.07675	0.5
323.05753	1.3
324.06284	2.1
325.03290	0.4
325.07211	7.8
326.07785	2.9
327.08762	2.3
328.05865	0.3
328.09451	0.3
335.09384	0.3
336.06320	0.2
337.07224	4.8
338.07913	1.5
339.08734	0.8
340.05875	0.8
341.06686	5.4
342.07257	1.3
347.09479	0.3
355.08282	6.9
356.05054	0.3
356.08994	4.8
357.09595	1.2
363.08698	0.4
365.10324	1.5
377.10370	0.3
378.11066	0.6
379.11740	0.3
381.09497	0.4
383.11447	4.5
384.11700	0.7
393.09830	1.1
394.10593	0.4
395.11331	0.6
396.12302	0.4
397.12961	2.1
407.11533	1.1
408.12036	1.5
409.12991	1.4
411.10919	10.7
412.11270	2.3
413.12314	0.4
425.12488	6.4
426.13205	7.2
427.13889	2.1
428.14511	0.3
473.11200	0.6
487.12567	0.4
488.13162	1.5
489.14209	0.4
500.13391	0.3
501.14160	0.4
507.66428	0.3
519.15179	1.6
520.12109	2.5
521.12738	0.5
532.12122	0.3
550.13293	0.5
571.18140	0.7
589.19366	100.0
590.19708	19.3
594.96625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32515	0.3
57.03338	20.0
59.01263	15.1
61.98714	1.8
68.85019	0.4
69.86478	1.5
69.86904	0.6
71.00901	0.5
71.01270	6.3
72.99189	0.9
73.02837	1.4
75.00742	0.4
78.95822	0.4
81.03357	0.8
83.01283	1.3
84.44869	0.3
85.02831	2.0
86.33100	0.4
87.00761	0.7
89.02346	3.3
89.66374	0.3
93.03345	0.3
95.01268	0.7
96.95892	0.5
99.00751	0.4
99.04419	17.4
101.02343	8.4
107.74661	0.4
108.02055	0.4
108.44144	0.3
109.02849	0.8
113.02354	2.8
119.03410	1.0
121.02853	1.0
124.26800	0.4
124.62816	0.3
125.02367	17.0
126.02682	0.4
129.36638	0.3
132.02100	0.9
135.04471	2.1
137.02373	1.1
143.03371	0.8
149.02339	0.5
151.00308	0.7
151.03926	0.4
152.01074	0.5
161.02344	0.8
161.04509	0.8
161.06096	0.3
177.01840	1.0
179.05577	0.5
197.39403	0.4
203.05605	0.7
205.08830	0.4
211.04005	0.8
212.04610	0.5
223.04031	0.6
224.04750	1.0
226.02835	0.4
239.03526	3.1
240.04308	1.3
252.04305	1.1
253.04929	0.5
267.03009	2.8
267.06635	0.6
268.03818	43.0
269.04150	3.0
283.06174	100.0
284.03577	0.7
284.06534	8.0
287.05563	0.5
299.05591	0.5
305.08722	2.5
311.05545	0.5
320.40143	0.4
324.06155	0.4
325.07217	2.6
326.07532	0.5
339.08792	0.8
341.13919	1.5
349.07297	0.4
367.11893	0.9
385.25702	0.4
394.10684	1.4
409.12833	2.5
431.09753	0.4
435.85834	0.4
485.31180	0.8
501.38489	0.4
529.17322	0.4
529.30353	0.8
545.32440	0.6
589.19537	7.9
589.33258	0.7
590.19257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40047	0.2
52.96169	0.2
57.03332	0.2
59.01261	2.2
61.98706	0.6
71.01257	0.7
71.10143	0.4
73.02825	0.4
87.00763	0.2
101.02342	0.4
102.54659	0.2
108.02091	0.2
109.02844	0.4
110.28223	0.2
113.02355	0.4
119.04928	0.4
121.02885	0.3
125.02344	0.7
133.02873	0.5
135.04442	0.7
139.52681	0.2
161.02332	0.3
174.95213	0.2
177.01903	0.2
186.13493	0.2
191.03462	0.2
201.01836	0.4
203.03476	0.2
205.04800	0.3
207.02985	0.6
217.08572	0.4
226.06392	0.3
237.05704	0.3
238.06313	0.6
250.06308	0.3
253.05028	0.4
254.05920	0.5
255.06432	0.2
265.05075	0.7
266.05887	0.7
267.06613	0.6
268.07355	0.4
269.08063	0.3
279.06680	0.6
280.03818	0.2
281.04562	0.9
281.07599	0.2
282.05450	1.1
283.06177	2.9
283.09473	0.4
284.06665	0.4
293.04721	0.4
294.05383	1.0
295.02747	0.4
295.06116	4.7
296.06720	1.4
297.04407	0.4
297.07629	2.3
307.06064	0.5
308.06805	0.3
309.04092	2.6
309.07758	2.3
310.04727	1.0
310.08145	0.4
311.05737	1.0
312.06439	2.3
313.07236	11.9
314.07617	1.2
321.04080	0.4
322.04935	0.5
323.05630	1.8
324.06311	1.0
325.07227	5.4
326.07877	2.2
327.08768	3.9
328.09387	0.4
335.05737	0.3
337.03195	0.3
337.07233	5.0
338.07953	2.0
339.05103	0.5
339.08783	0.6
340.05939	6.7
340.10007	0.3
341.06705	11.3
342.07312	1.9
343.08163	0.4
344.05429	0.6
353.06708	0.8
355.08286	32.3
356.08945	12.4
357.09689	2.0
364.09525	0.3
365.10379	1.4
372.04932	1.8
377.10565	0.3
379.11926	0.6
383.11423	3.2
384.11792	0.3
388.08087	0.5
389.10474	0.3
393.09802	1.0
394.10571	0.5
397.13019	0.8
407.11459	1.4
408.12106	1.1
409.12540	0.5
411.10944	9.2
412.11478	1.6
425.12561	3.7
426.13293	5.0
427.13843	1.8
501.13879	0.5
505.16913	0.3
518.14545	0.5
519.15137	3.7
520.15234	0.7
550.13220	1.6
571.18317	0.8
589.19403	100.0
590.19733	17.5
615.65814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48885	0.4
59.01265	29.9
60.01608	2.3
61.01679	1.6
61.98715	3.3
65.03845	1.2
71.01254	3.1
72.10178	0.4
72.99203	0.6
73.02824	0.8
78.45593	0.5
83.01278	0.5
85.02834	0.7
87.00781	0.7
89.02344	1.5
91.05430	2.2
93.03360	1.1
97.02879	0.6
98.19785	1.6
101.02345	2.1
101.05998	0.6
108.02069	1.3
108.09016	0.4
109.02859	10.8
110.03180	0.4
112.93524	0.4
113.02373	0.5
121.02873	5.9
123.04447	0.7
125.02370	1.0
133.02882	4.3
133.06516	0.8
134.03693	0.7
135.04445	24.1
136.04747	0.9
137.02386	0.8
147.04433	2.7
149.02420	0.6
149.06007	1.5
151.03857	0.8
159.04472	5.9
161.02426	1.1
161.04716	0.4
161.06012	1.7
163.07558	0.5
171.04477	1.1
172.05188	0.6
173.06039	2.1
174.06795	1.0
175.04005	0.8
175.07596	5.2
177.09148	0.5
185.06055	1.5
187.03935	0.5
187.07616	9.2
189.05568	1.4
189.09157	2.4
191.07108	0.6
198.98909	0.5
199.07660	1.5
200.07805	0.5
201.05534	0.7
201.09183	22.6
202.09583	1.0
203.07169	1.2
213.09164	3.7
214.09912	1.6
215.07159	0.6
217.08711	2.1
229.77560	0.4
231.06613	0.6
245.12006	0.7
254.06015	0.6
257.08093	0.6
305.11905	1.6
321.11359	1.3
322.11719	1.7
323.12943	100.0
324.13239	9.9
324.17041	0.6
339.12466	2.2
340.09573	0.5
347.12939	8.3
348.13287	1.1
351.09094	0.5
365.14182	1.2
377.14020	1.0
383.11536	1.4
389.13998	1.1
407.14883	0.7
419.15414	0.6
467.17206	24.7
468.17429	3.4
483.04086	0.5
499.87692	0.4
543.18958	3.2
544.19086	0.5
567.98608	0.5
587.18384	1.4
587.35034	0.5
588.27710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
61.98733	1.1
65.03843	2.6
67.01762	0.6
69.35479	2.8
69.35897	1.5
74.38148	0.4
91.05432	7.9
93.03368	2.0
96.95887	0.5
97.46413	0.4
98.19759	0.7
101.23082	0.5
107.04877	0.5
108.02092	1.3
109.02863	25.9
110.03201	1.0
119.04943	0.6
121.02869	14.1
133.02870	1.5
134.03662	0.4
135.04448	80.2
136.04762	3.5
147.04457	10.0
159.04468	3.3
175.07631	1.0
176.08427	0.5
179.28683	0.5
187.07602	0.5
189.09177	1.0
191.10773	3.6
194.13725	0.5
195.41978	0.4
201.09212	1.3
202.08363	0.4
202.09892	2.4
215.10703	0.8
217.12323	10.2
218.12637	1.1
221.58783	0.5
225.09346	0.6
227.07069	0.4
237.09167	1.1
239.07097	0.7
248.61613	0.4
251.06952	0.5
254.05672	0.5
269.08157	0.8
271.17279	0.5
277.96341	0.5
280.14618	0.6
281.08127	2.4
286.99576	0.5
306.12872	0.5
307.13306	0.5
309.11401	1.5
321.14896	1.2
324.13736	1.8
339.16071	100.0
340.16415	10.5
483.20313	0.9
543.22412	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	587.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01400	0.2
57.03333	0.3
59.01265	5.9
61.98717	1.8
69.71347	1.2
71.01280	1.6
72.99228	0.3
73.02820	0.6
74.59116	0.2
75.00761	0.2
81.03374	0.2
83.01260	0.4
85.02824	0.9
85.06509	0.3
87.00772	0.4
88.98706	0.1
89.02332	0.9
90.18320	0.2
90.91840	0.2
91.05450	0.2
93.03367	1.0
95.01286	0.3
96.95863	0.2
99.00800	0.4
101.02348	0.7
107.01297	0.2
107.13880	0.2
108.02073	0.5
109.02885	0.9
109.91713	0.2
113.02377	0.6
117.03371	0.9
119.03451	0.2
119.04945	0.5
121.02872	7.6
122.03208	0.2
123.04448	0.4
125.02368	1.5
131.07098	0.6
132.02077	1.1
133.02893	2.2
134.03667	0.2
135.04453	1.4
137.02356	0.7
145.02899	0.3
149.02356	0.4
149.04471	0.2
149.06009	0.3
151.00317	0.6
152.01108	0.5
155.07127	0.2
158.03603	0.3
159.04448	0.2
161.02354	0.2
161.04530	0.4
163.03989	0.3
169.06606	0.2
173.06009	0.3
175.03947	0.5
177.01872	0.3
178.99808	0.2
179.03522	0.2
185.06099	0.3
187.03961	0.4
187.07637	0.3
189.01836	0.3
193.29851	0.2
195.08226	0.3
195.10077	0.2
197.06087	0.3
199.07599	0.5
201.01985	0.3
202.02596	0.2
205.05055	0.3
207.02921	0.3
211.07585	0.2
213.01952	0.3
213.05466	0.3
214.02747	0.6
215.03505	0.5
217.05080	0.4
217.08757	0.5
223.07675	0.8
227.03497	0.6
229.05019	0.3
235.07700	0.5
237.05537	0.3
239.03496	0.4
239.07164	1.0
241.05112	0.5
243.06741	0.3
243.10124	0.2
245.04535	0.3
250.06210	0.3
251.07162	1.2
253.05022	0.5
254.05727	0.2
255.06650	0.2
262.06165	0.2
263.07092	1.0
265.05118	0.6
266.05817	0.4
267.03470	0.3
267.06656	3.2
268.07278	0.6
269.04645	0.2
269.08203	0.5
271.06021	0.3
275.07214	0.5
276.07852	0.2
277.05133	0.3
278.05890	0.5
279.06656	2.2
280.07101	0.3
281.04739	0.4
281.08234	0.8
282.05377	0.7
290.05801	0.2
291.06757	0.7
293.04645	0.5
293.08060	0.3
294.05194	0.9
295.06174	5.3
296.06680	0.8
297.07651	1.5
303.12762	0.3
305.11810	0.3
306.05505	0.9
307.06192	9.4
307.09781	0.5
308.06625	1.2
309.07721	0.5
310.04642	0.2
311.05627	0.2
312.06372	0.3
313.11194	0.3
315.12454	0.3
316.07516	0.2
317.11740	0.4
318.05292	0.4
319.06216	4.0
319.09708	0.3
320.06558	0.4
321.07626	0.2
321.11337	0.2
323.05536	0.4
325.07224	7.8
326.07635	0.7
328.05692	0.2
335.09192	1.0
336.09900	0.3
337.07251	5.2
337.11069	0.4
338.07648	0.6
339.12433	9.2
340.12646	1.3
347.09259	1.1
348.10046	0.4
349.10858	2.1
350.11197	0.2
353.10379	0.4
358.06985	0.2
361.10892	1.9
365.10336	2.1
366.11160	0.4
379.11832	1.4
393.13467	0.4
394.14258	5.3
395.14902	1.3
405.13562	0.5
406.14307	6.1
407.14993	3.6
408.15762	0.4
409.13336	0.3
423.14728	0.4
424.15384	29.5
425.16019	8.8
426.16617	0.5
467.16913	0.3
469.11227	0.2
520.12250	0.4
527.32324	0.6
557.20374	0.9
569.20496	2.8
570.20911	0.6
585.19440	0.2
587.21490	100.0
588.21851	18.4
588.32074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97580	0.3
57.04888	0.3
59.01263	2.2
61.98712	1.5
65.03844	1.3
67.01761	0.4
69.03359	0.4
69.59580	2.0
69.59999	0.5
70.64152	0.4
71.01273	0.6
72.24714	0.3
72.99229	0.4
91.05428	3.6
93.03331	1.0
96.95926	0.5
97.06495	0.5
107.76701	0.4
108.02087	2.2
109.02862	23.5
110.03221	0.8
111.08081	2.0
111.69443	0.4
116.94226	0.4
121.02865	5.9
125.09634	2.6
133.02895	1.1
134.03664	0.4
135.04448	31.3
136.04813	1.5
147.04453	8.4
151.07764	0.4
159.04451	1.9
163.07539	0.8
163.91315	0.4
173.06070	0.4
173.08131	1.0
175.07613	1.1
177.09241	0.6
187.07613	1.1
187.09731	2.2
189.09142	1.3
190.09883	0.5
191.10739	2.7
201.09192	0.8
201.49297	0.4
202.09932	0.9
215.10759	1.3
217.12334	4.6
218.12572	0.4
225.09207	1.0
227.07092	0.4
237.09270	1.3
239.07124	1.3
244.84779	0.4
253.09267	0.6
255.06436	0.4
262.13364	0.5
263.07156	0.6
265.12424	1.1
269.08331	1.1
280.14731	0.7
281.08203	4.0
282.12613	0.5
291.19824	1.8
296.13779	0.4
297.15039	0.6
306.12558	1.2
307.13168	0.5
309.11487	2.6
321.15018	1.6
323.12952	0.5
324.13751	2.4
339.16080	100.0
340.16403	12.9
417.21509	0.5
527.28925	0.6
587.30737	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	587.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.7
59.01265	3.1
61.98721	2.8
63.99156	0.2
65.30909	0.1
70.79594	0.3
71.01273	1.5
72.99202	0.3
73.02847	0.4
75.00832	0.2
83.01295	0.5
85.02859	0.7
87.00777	0.3
88.98717	0.2
89.02358	0.5
93.03368	0.7
96.95910	3.4
97.02890	0.2
99.00777	0.2
99.04427	0.2
101.02362	0.7
108.02070	0.3
109.02837	1.1
111.09274	0.1
113.02368	0.6
117.03481	0.2
117.99339	0.2
119.01328	0.4
119.03461	0.3
119.04953	0.3
120.08717	0.2
121.02863	1.1
122.10529	0.2
123.00781	0.2
123.04420	0.4
125.02353	1.8
130.08698	0.6
133.02898	0.7
134.03667	0.5
135.04466	0.6
135.07991	0.1
137.02382	0.3
137.05972	0.2
139.03920	0.2
145.02910	0.4
147.00851	0.3
148.01636	0.3
149.02417	0.8
149.06018	0.3
150.03084	0.2
151.00378	0.3
151.03960	0.3
151.07671	0.2
152.01091	0.4
153.01965	0.3
154.08678	3.1
155.09030	0.4
157.02802	0.2
157.06567	0.2
161.02414	0.6
161.04575	0.3
163.03938	0.2
164.04703	0.3
165.05591	0.3
166.02650	0.2
167.03548	0.2
171.04498	0.2
173.02515	0.2
173.06042	0.2
175.00256	0.2
175.02501	0.3
175.03969	0.4
177.01923	0.3
179.03374	0.2
179.05542	0.2
179.07062	0.2
187.03983	0.2
187.07683	0.3
193.05093	0.3
201.01956	0.5
201.05513	0.3
202.02693	0.2
203.03625	0.3
203.07147	0.3
205.08775	0.2
213.05627	0.3
214.02780	0.3
215.03354	0.2
215.07100	0.3
217.04991	0.3
217.08530	0.2
223.06117	0.6
224.06523	0.3
229.05069	0.3
231.06635	0.2
233.08131	0.2
235.07854	0.2
237.05499	0.2
237.07672	0.3
240.04338	0.3
241.05092	0.3
250.06279	0.2
251.07175	0.2
252.04337	0.2
253.05016	0.4
254.05768	0.2
254.55460	0.2
261.05612	0.2
263.07156	0.2
264.07956	0.2
265.04993	0.2
266.05792	0.2
267.03107	0.2
267.06845	0.2
269.04617	0.4
277.08975	0.2
278.05707	0.3
279.03482	0.2
279.06741	0.5
281.04694	0.4
282.05420	0.5
285.04068	0.3
289.08749	0.2
291.06729	0.4
293.04764	0.5
294.05472	0.4
295.06247	0.4
296.06931	0.8
301.08713	0.2
305.04697	0.3
305.08279	0.3
306.05350	0.3
307.03009	0.2
307.06204	1.1
307.09586	0.3
308.06937	0.6
308.10336	0.2
309.04080	1.2
309.07138	0.2
310.04791	0.4
311.05765	0.2
312.06485	0.3
317.08255	0.3
318.05536	0.3
319.06171	0.8
319.09650	0.3
320.06705	0.2
321.07724	0.3
322.04852	0.2
322.08615	0.2
323.05658	2.0
323.09375	1.7
324.06372	1.4
324.09671	0.3
325.07132	0.6
328.05948	0.4
333.07700	0.8
334.08423	0.3
335.05640	1.3
335.09393	2.9
336.06317	0.7
336.09958	0.3
337.07227	1.9
337.10925	0.6
338.07947	0.3
339.12451	0.9
340.05795	0.2
341.06619	0.2
345.07742	0.2
347.05658	0.4
347.09402	0.4
348.06326	0.3
348.10089	0.3
349.07449	0.9
349.10510	0.9
350.07803	0.3
351.08826	2.6
352.05704	0.4
352.09491	0.6
353.06622	0.7
353.10464	1.6
354.07263	0.2
354.11185	0.2
356.05414	1.6
356.09393	0.2
361.06931	0.7
361.11185	0.2
363.08807	5.1
364.09241	0.9
365.06619	0.7
365.10413	3.0
366.02841	0.2
366.07147	0.3
366.10986	0.5
367.08194	2.6
367.12091	0.5
368.05179	0.3
376.09665	0.4
377.10336	3.6
378.10913	0.5
379.08112	1.4
379.11456	0.2
380.09070	0.5
381.09866	15.3
382.10339	1.6
383.11517	0.2
386.06519	0.4
391.08322	1.8
392.09006	0.9
393.09885	2.8
394.10623	1.8
395.11426	8.9
396.11935	1.3
397.13080	0.4
405.09875	3.4
406.10693	1.7
407.11554	1.3
408.12183	0.3
409.09375	24.3
410.09866	3.8
411.10904	1.0
412.11493	0.2
421.09216	0.3
423.10941	17.3
424.11655	10.1
425.12469	6.0
426.13049	0.3
439.10657	0.3
506.01682	0.2
520.12085	0.2
553.76801	0.2
557.16547	0.2
559.18024	0.3
569.16614	0.8
582.96460	0.2
586.29498	0.3
587.17816	100.0
588.18127	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.5
59.01263	4.9
61.98720	5.6
69.17635	1.9
71.01270	1.8
72.99207	0.3
73.02859	0.7
75.00771	0.4
77.39761	0.2
81.03365	0.2
82.76411	0.2
83.01302	0.4
85.02838	0.9
87.00799	0.5
88.98721	0.2
89.02357	1.1
93.03367	0.8
95.04942	0.3
96.00791	0.3
96.95912	1.8
97.02864	0.2
97.06527	0.2
99.00778	0.5
101.02370	1.1
103.33023	0.2
107.04913	0.3
109.02866	0.7
110.03499	0.5
113.02380	0.8
117.05505	0.4
119.01296	0.9
119.03383	0.2
119.04985	0.6
121.02895	0.7
123.04429	0.3
124.10699	0.2
125.02385	1.6
130.08688	1.1
131.03474	0.2
133.02913	0.8
134.03671	0.4
135.04420	0.5
137.02397	0.3
143.03464	0.3
145.02913	0.6
146.03696	0.2
147.00812	0.4
148.01585	0.4
149.02364	1.0
149.04492	0.3
150.02759	0.4
151.00311	0.3
151.04028	0.4
153.01898	0.2
154.08681	6.3
155.09056	1.2
156.06633	0.2
159.04424	0.2
161.02396	0.4
161.04565	0.4
161.06064	0.2
163.03989	0.5
164.04770	0.8
165.05396	0.6
166.02594	0.2
166.05251	0.3
173.06013	0.3
174.03198	0.3
175.04063	0.3
177.01868	0.2
187.04044	0.3
187.07660	0.2
190.02739	0.4
198.07674	0.2
201.02032	0.3
201.05563	0.4
202.02660	0.2
205.08687	0.4
213.05542	0.2
214.02841	0.3
215.03542	0.2
217.05049	0.4
223.06126	1.2
224.04593	0.3
224.06467	1.0
225.06642	0.3
226.02753	0.2
227.03513	0.2
229.05115	0.5
231.06682	0.3
233.08157	0.3
237.07774	0.5
238.06288	0.2
239.07153	0.3
241.05231	0.3
241.08739	0.3
245.04439	0.3
253.05016	0.5
254.98026	0.3
255.06624	0.2
264.07813	0.3
265.05063	0.4
267.02948	0.2
268.03760	0.5
268.06808	0.2
271.06128	0.3
274.06418	0.3
277.08673	0.2
278.06067	0.2
279.02933	0.2
279.06821	0.4
279.10117	0.2
280.07489	0.4
281.04608	0.5
282.05365	0.6
290.05847	0.2
291.06760	0.4
292.07239	0.2
293.04584	0.4
293.08133	0.2
294.05344	0.3
295.06091	0.5
296.07019	1.1
305.04767	0.3
305.08194	0.4
306.05261	0.3
307.06244	1.4
307.09634	0.3
308.06979	0.7
309.04282	1.2
309.07477	0.4
310.04837	0.4
311.05576	0.3
312.06482	0.4
317.08380	0.4
319.06219	1.1
319.09464	0.2
320.06934	0.3
321.04050	0.2
321.07706	0.3
322.04929	0.3
322.08337	0.3
323.05646	2.0
323.09344	2.1
324.06476	1.6
324.09781	0.3
325.07166	0.3
328.05936	0.3
333.07767	1.0
334.08527	0.3
335.05655	1.9
335.09375	2.8
336.06360	0.8
336.09879	0.5
337.07190	2.0
337.11011	0.9
338.07678	0.5
340.06213	0.3
341.06635	0.2
345.07736	0.3
347.05542	0.6
347.09369	0.6
348.10104	0.3
349.07169	0.9
349.10916	0.9
350.07840	0.4
351.08850	2.7
352.05713	0.4
352.09564	0.7
353.06567	0.6
353.10391	2.7
354.07190	0.2
356.05432	1.2
361.07288	0.8
362.07736	0.2
363.08832	6.3
364.09402	1.1
365.02786	0.4
365.06619	0.9
365.10410	3.2
366.02365	0.8
366.07098	0.4
366.11121	0.5
367.08167	3.2
367.12082	0.4
368.05005	0.3
368.08966	0.4
375.08804	0.3
376.09570	0.7
377.10385	4.2
378.10980	0.7
379.08133	1.7
380.08920	0.5
381.09869	17.9
382.10233	2.2
383.11334	0.3
386.06589	0.4
391.08322	1.9
392.08972	1.1
393.09903	2.4
394.10638	1.9
395.11456	9.0
396.11932	1.4
397.12650	0.2
405.09897	3.5
406.10638	1.8
407.11429	1.5
408.12244	0.2
409.09375	26.0
410.09906	4.6
411.11035	1.3
421.09241	0.2
423.10941	18.1
424.11655	10.6
424.17603	0.3
425.12488	6.6
426.12842	0.7
439.10126	0.2
487.18408	0.2
559.17902	0.3
569.16833	1.1
586.29010	0.3
587.17816	100.0
588.18146	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	587.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01691	0.6
53.43256	0.6
55.89948	0.6
57.03320	0.9
59.01265	14.2
61.98716	5.0
63.86552	0.6
65.03272	0.6
71.01263	3.0
71.23558	1.0
73.02827	1.5
78.95798	0.7
83.01295	1.1
85.02868	0.8
89.02334	1.3
91.83180	0.7
93.03370	0.9
96.95928	0.8
101.02361	2.4
101.05983	0.9
107.04932	0.8
108.02113	0.7
109.02844	1.2
113.02381	1.3
117.03378	1.2
121.02893	1.8
122.03798	0.8
125.02371	4.0
132.02138	2.2
133.02882	2.5
133.06602	0.7
135.04466	2.2
137.02382	1.3
137.24707	0.6
149.02347	1.0
151.00327	0.8
152.99515	0.8
157.06561	1.7
161.02422	1.1
173.06049	0.8
185.06050	0.8
189.01961	0.6
189.09227	0.8
202.02779	1.0
203.06973	0.9
211.04019	1.6
213.05550	0.9
215.03448	0.9
217.08757	0.8
223.04050	0.7
226.57303	0.6
231.06622	0.8
239.03601	1.0
253.05020	1.6
261.42706	0.7
267.03076	2.6
269.04663	1.3
273.09183	1.5
281.04666	1.2
282.05414	2.6
289.08710	0.8
293.04590	0.8
293.11841	0.7
295.06326	1.1
301.08353	0.8
307.06235	3.3
308.06845	0.7
309.04068	1.8
309.11606	0.6
310.05048	0.7
311.05692	1.0
317.08386	0.8
318.09204	0.8
319.09824	1.0
322.08441	1.0
323.05612	4.4
324.06332	1.2
325.07153	0.8
328.05917	1.3
335.05624	3.6
337.07193	13.1
337.10925	55.3
338.07773	1.4
338.11252	5.0
339.12329	2.2
346.08493	3.7
347.09262	9.8
348.09583	0.8
350.11658	2.0
351.12424	12.3
352.12909	1.0
356.05792	1.5
363.12488	0.7
365.10385	68.0
366.10867	12.0
367.11835	2.3
379.11932	41.0
380.12695	30.8
381.13382	7.2
383.18655	2.4
395.11298	1.7
476.08987	0.7
497.14722	1.0
509.14609	33.3
510.15149	4.6
527.15723	27.4
528.16010	3.1
543.18848	100.0
544.19208	15.9
548.00269	0.7
578.90796	0.8
587.17780	78.0
588.18060	15.2
609.44476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	4.3
59.01263	38.1
61.98716	10.1
69.26326	18.1
71.01265	14.2
72.99209	2.8
73.02828	3.8
77.77225	1.3
81.95187	1.8
83.01260	4.8
83.04915	2.2
85.02840	5.3
87.00781	3.2
87.20020	1.6
89.02351	3.0
99.00784	2.3
101.02355	7.6
108.02077	8.2
109.02865	7.2
113.02344	6.7
119.03395	2.8
119.04923	3.4
121.02872	4.4
125.02364	12.2
133.02847	4.1
135.04436	7.7
136.98672	2.2
137.02357	2.6
149.02336	3.6
151.00354	2.5
151.03922	2.4
152.01085	11.5
157.12289	2.1
161.02386	7.3
161.04427	3.6
163.03914	2.3
164.31105	2.0
165.03952	2.3
175.03964	2.6
181.01569	2.2
191.07130	2.4
192.99487	1.6
193.08751	2.1
201.01907	1.9
203.03499	1.8
203.07133	4.1
216.04166	2.4
231.06628	10.4
287.12790	1.9
291.06873	1.8
295.10202	1.9
312.06271	1.9
321.07709	3.2
321.11230	2.0
334.08215	3.1
337.07202	4.9
337.11099	3.0
338.11337	1.9
339.12259	4.1
349.07275	10.5
350.07996	3.7
365.10358	100.0
366.10709	9.6
379.11963	2.2
380.12769	3.0
383.11157	3.0
394.63165	2.6
395.11331	3.1
407.11111	2.3
410.10141	3.3
425.12506	7.1
425.19934	6.4
497.14383	3.2
527.15594	19.5
527.32007	2.5
543.18817	2.8
587.17743	14.2
587.24353	6.1
587.32922	3.5
588.18420	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	587.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89842	0.4
55.74824	0.4
57.03328	0.9
58.04699	0.4
59.01001	0.5
59.01265	7.3
61.98718	3.7
67.34299	0.4
71.01268	3.5
71.23350	0.8
72.26761	0.4
72.99160	0.6
73.02807	0.9
74.75600	0.4
75.00761	0.7
83.01251	1.4
85.02831	1.2
87.00761	0.6
89.02317	1.5
93.03345	1.3
97.06438	0.4
99.00744	0.8
101.02319	1.2
101.05975	0.5
107.04971	0.5
108.02083	0.7
109.02835	1.2
113.02333	1.2
119.01283	1.0
119.03409	0.5
119.04939	0.7
121.02877	1.3
123.04408	0.7
125.02360	3.6
125.05940	0.4
133.02896	2.1
135.04419	2.1
137.02348	0.7
151.00308	0.5
151.07399	0.4
153.01900	0.7
161.02359	0.9
161.04581	0.6
163.07574	0.5
165.05547	0.6
173.05942	0.4
175.03920	0.9
177.01851	1.1
187.03842	0.4
187.07616	1.0
189.01857	0.5
189.05724	0.4
189.09093	1.0
190.02533	0.5
201.01752	0.6
203.03447	0.7
207.10329	0.5
214.02713	0.5
215.03407	0.7
231.06708	2.2
238.06386	0.5
239.03465	0.5
251.07013	0.5
253.05167	0.7
254.05748	1.0
265.05234	0.9
267.03006	0.8
267.06671	1.0
269.04517	1.1
279.06677	0.7
281.04663	1.6
282.05405	3.8
283.06067	0.8
285.04083	0.5
293.04611	1.0
293.08316	0.5
293.11780	0.5
295.06186	2.5
296.06946	1.2
303.12415	0.6
307.06128	5.6
308.06479	0.6
309.04080	1.1
310.04861	1.5
311.05618	1.8
313.94708	0.6
314.04538	2.0
319.06152	0.7
321.11545	0.6
322.08551	0.9
323.05655	4.6
324.06271	2.2
325.07208	6.9
326.07559	0.6
328.05859	1.3
335.05707	3.7
335.09302	0.8
337.07169	11.1
337.10834	55.7
338.07434	1.4
338.11215	4.9
339.12674	0.8
350.11679	1.3
351.12454	13.5
352.12531	1.4
356.05466	2.2
363.12506	0.8
365.10364	63.6
366.10846	12.7
367.11661	1.6
379.11935	44.2
380.12653	34.6
381.13373	9.2
383.11386	1.0
391.08548	0.7
395.11423	1.2
406.10580	0.7
466.15936	0.6
493.17569	0.6
506.15302	0.5
542.17670	0.4
543.18829	90.2
544.10846	0.9
544.19128	12.7
569.16888	1.0
587.17792	100.0
588.18146	14.7
597.57019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04450	0.8
59.01265	18.2
61.37147	0.9
61.98713	6.2
65.03862	1.0
70.09090	2.6
70.09489	1.7
71.01280	6.7
73.02837	1.5
75.00769	3.7
83.01283	1.6
85.02848	1.8
87.00790	1.4
89.02310	1.0
95.01286	1.4
96.95940	1.2
101.02330	3.1
109.02874	8.3
109.88892	1.3
111.00841	0.9
113.02369	2.1
117.03371	1.0
119.04964	1.4
121.02815	2.0
123.04395	1.0
125.02351	6.0
133.02893	1.8
133.06610	1.2
135.04466	2.4
149.02365	1.2
161.02390	8.1
161.04572	1.6
165.05492	1.2
173.05957	1.6
175.03989	1.6
175.07564	1.4
177.01836	1.4
191.07085	2.2
211.07698	1.1
217.08551	1.3
225.05533	1.2
228.04372	1.8
229.08737	2.0
239.07161	1.7
251.52463	1.1
253.05222	1.7
266.05795	1.2
267.06796	1.5
269.04581	1.7
270.05405	8.7
271.05933	1.1
277.05124	1.3
283.06171	1.2
284.06906	5.5
295.06192	3.6
295.13385	1.5
296.06790	1.7
307.06174	2.1
311.05573	1.4
312.06290	1.9
313.07275	1.3
321.11295	2.7
323.05865	1.4
324.09882	1.4
337.10834	1.6
338.11624	2.2
339.12433	100.0
340.12787	9.7
350.11679	1.6
365.10339	2.3
381.09793	2.2
382.50534	1.0
383.11475	2.2
396.12131	1.4
424.15305	2.1
464.70557	1.1
527.32678	1.1
534.39471	1.0
543.18842	15.2
544.19366	2.2
587.20624	19.4
587.35034	2.6
588.21136	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	586.311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	1.6
59.01263	9.4
61.98716	7.2
63.20897	1.4
64.19778	1.4
71.01253	4.9
71.54066	1.3
73.02834	2.3
73.03960	5.4
81.96924	1.3
83.01247	1.5
84.04441	3.8
85.02848	2.0
87.00795	2.1
87.05529	10.8
89.02317	2.5
97.03936	1.9
98.02406	1.6
99.04388	1.5
101.02341	5.1
102.05511	33.7
111.03526	1.3
113.02367	2.2
115.05058	17.5
122.02377	2.0
125.02336	4.6
126.06659	10.4
128.03461	90.1
129.03793	2.3
129.10257	4.5
130.08672	20.8
135.04420	1.5
137.02361	2.2
140.07082	5.2
144.07712	9.0
146.04517	29.8
149.02492	1.5
151.00304	1.9
152.01073	2.0
153.10335	1.7
155.11830	3.2
168.07736	22.1
169.06139	1.4
171.14934	5.6
177.01875	2.8
182.12891	2.2
183.11319	2.0
186.08791	12.5
188.07124	8.0
197.12944	2.9
197.16504	1.6
199.18115	1.8
215.14099	4.7
225.16064	2.9
252.20821	1.9
269.04517	2.6
270.21924	5.7
312.07825	1.4
366.25928	1.7
399.26135	3.7
413.24167	25.5
414.24512	3.4
457.26697	11.4
498.29556	1.7
542.19983	3.0
542.28412	60.7
543.28729	8.0
568.29907	3.5
586.31049	100.0
587.21716	2.5
587.31195	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	585.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01299	0.2
57.03339	0.3
59.01267	4.5
60.06105	0.2
61.98713	5.5
63.77598	0.2
65.00224	0.2
71.01272	4.0
72.99207	0.4
73.02838	1.9
73.03200	0.2
73.87614	0.2
78.95799	0.3
83.01260	0.4
85.02847	1.4
87.00784	0.3
88.98702	0.9
89.02336	3.2
89.03855	0.3
91.05428	0.4
93.03384	0.4
95.01276	0.6
96.95969	0.3
97.02871	0.3
98.19763	0.4
99.00777	5.1
101.02354	1.6
108.02036	0.3
109.02881	0.5
110.03508	0.2
111.04485	0.2
113.02362	2.7
117.03383	0.5
119.01311	0.7
119.03444	0.4
119.04948	0.7
121.02869	6.2
122.03201	0.4
125.02367	1.7
130.08667	0.9
130.83528	0.2
131.03430	0.6
132.02095	0.7
134.03616	0.2
135.04471	0.5
137.02394	0.3
139.03888	0.2
147.00829	0.5
147.04472	3.5
149.02380	47.0
150.02736	2.2
151.00391	0.3
151.03935	0.3
152.01056	0.5
153.01904	0.3
154.08673	6.2
155.09131	0.2
161.02371	0.3
161.04474	1.0
162.03197	0.2
163.03976	0.8
164.04735	46.2
165.01918	0.2
165.05067	2.0
175.00308	3.7
179.03658	0.2
179.05727	0.2
179.07109	5.1
187.71376	0.2
190.02690	9.3
191.03175	0.5
191.05624	0.7
193.01369	0.4
193.05043	0.4
195.06601	0.2
205.05045	11.1
206.05331	0.7
208.03746	1.4
223.06117	100.0
224.06470	5.6
229.67494	0.3
241.08778	0.5
269.04691	0.3
293.08475	0.2
299.05792	0.2
320.99536	0.2
361.15384	0.4
363.12646	0.3
364.02844	0.4
379.16177	0.9
413.09610	0.2
537.14508	0.2
549.20074	0.3
549.32892	0.2
585.22150	6.3
585.30542	0.8
586.21783	0.7
586.28845	0.9
592.99188	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	585.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06797	0.3
57.03327	0.5
57.05528	0.4
59.01274	4.1
61.98717	2.3
71.01289	2.0
71.52284	0.5
71.96723	0.3
73.02860	0.5
74.87798	0.3
81.03356	0.3
83.01276	0.8
85.02852	0.8
87.00800	0.8
87.32990	0.4
91.05424	0.7
93.03385	0.8
96.95889	0.5
99.00777	0.4
101.02347	0.7
101.05989	0.8
107.04993	0.4
108.02057	0.5
109.02869	4.4
113.02347	0.6
116.72256	0.5
117.03381	3.3
119.04955	1.2
121.02888	1.4
122.03624	0.4
125.02372	1.5
128.45428	0.4
132.02121	1.6
133.02908	1.0
134.03705	0.5
135.04456	6.6
136.04797	0.4
137.02394	0.4
147.04422	0.4
148.05226	0.4
158.02113	0.6
159.04407	0.4
161.02364	0.4
161.04518	0.4
161.06041	0.4
162.03186	0.4
167.77074	0.3
175.03976	0.7
177.01947	0.6
185.06050	0.4
185.09769	0.4
187.03931	0.5
187.07524	0.4
189.01892	0.6
189.09161	0.6
193.08713	1.0
195.08177	0.6
199.07651	0.9
201.01959	0.8
203.03503	1.0
205.05148	0.4
205.30571	0.3
207.03072	0.6
208.05226	0.4
209.05975	0.4
211.07620	0.3
214.02701	1.0
215.03461	3.4
223.07738	0.9
225.05420	0.4
225.09169	0.7
226.02698	0.4
227.03508	4.7
229.05156	0.5
229.08783	1.0
233.04581	0.5
235.07771	0.7
237.05547	0.8
238.06297	0.6
239.07156	1.3
243.06671	0.5
244.07355	0.6
245.04570	1.0
245.08250	1.1
247.10054	0.4
249.05539	0.6
251.07082	2.1
252.04485	0.4
252.07591	0.6
253.05229	0.7
253.08774	0.7
255.06671	1.0
256.07172	0.6
263.07108	2.5
266.05844	0.6
267.06586	2.8
269.08279	1.1
270.09085	0.7
275.07214	1.1
278.05869	0.6
279.06635	3.8
281.04877	0.8
281.08206	0.8
282.05371	1.0
285.11325	0.5
288.10190	0.7
289.08865	0.5
291.06668	1.4
291.10233	0.4
293.04745	2.2
294.05426	1.1
295.06165	8.0
296.06808	1.1
297.07700	1.6
303.10196	0.5
306.05377	1.2
307.06201	16.5
308.06845	2.4
309.07510	0.5
311.05618	0.4
313.11014	0.8
315.12473	8.7
316.12619	0.6
319.06189	7.7
319.09827	0.3
319.13519	0.9
320.06577	1.9
321.07916	0.5
323.13104	0.6
325.07239	8.0
326.07690	0.7
333.11469	0.7
335.09131	1.0
335.12915	0.6
336.10043	0.9
337.07245	7.8
338.07791	1.4
347.09344	0.6
349.10733	0.6
350.11652	7.3
351.12372	3.0
352.12820	0.5
355.15585	0.4
361.10721	0.7
362.11600	8.3
363.08139	0.7
363.12433	9.7
364.12839	0.8
365.10516	0.8
379.12006	0.7
380.12723	31.2
381.13504	97.2
382.13910	9.9
383.13583	0.6
423.14545	8.1
424.14926	1.1
500.17633	0.4
555.19385	0.9
567.18732	3.3
568.19080	0.4
585.19916	100.0
585.36194	5.7
586.20251	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	585.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
61.98710	5.9
70.08664	4.0
70.87640	1.0
71.01263	2.0
78.97694	0.9
82.17107	0.9
82.40660	0.8
85.02820	1.0
87.00776	1.2
93.03345	1.0
98.19829	1.8
109.02873	4.5
113.02312	1.3
119.04939	1.0
121.02888	10.0
125.02338	1.0
133.02867	3.1
135.04407	1.2
137.05989	1.6
179.06992	1.1
199.07623	4.2
243.13795	1.1
289.18320	1.1
321.11383	44.9
322.11691	3.7
381.09811	1.3
422.13699	1.6
423.14612	6.1
550.82196	1.0
585.21973	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	583.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33888	2.4
62.97335	2.6
70.68132	4.0
70.68457	4.3
71.01271	7.8
78.98466	4.0
79.95614	6.4
80.31187	2.9
80.96410	47.3
85.44490	2.7
87.00789	3.4
88.54560	3.1
94.97987	11.8
95.06863	2.9
101.82203	2.8
122.97496	3.0
125.02322	4.5
128.58434	2.8
134.97507	3.4
136.64494	2.6
148.99075	3.2
152.98514	5.3
164.98547	9.5
206.99660	3.3
211.46716	2.8
225.00774	10.1
284.81970	3.3
451.71378	3.0
506.22623	3.1
583.31714	100.0
583.41235	5.3
584.31793	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	585.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
59.32628	0.1
60.01596	1.0
61.98712	0.5
69.45895	0.8
71.01277	0.2
73.02859	0.2
75.99435	0.1
78.95795	0.2
85.02867	0.2
93.03391	0.2
93.71502	0.1
96.95918	0.4
101.02327	0.2
108.02111	0.1
109.02876	1.3
113.02332	0.1
121.02867	4.2
123.04431	0.2
125.02402	0.3
133.02872	1.3
135.04407	0.4
141.69109	0.2
159.04561	0.2
161.02414	0.2
173.05965	0.2
175.07603	0.3
183.04428	0.3
187.07625	0.2
199.07645	2.1
200.04712	0.1
212.92400	0.1
252.04071	0.2
253.04341	0.1
305.08194	0.2
306.08969	0.3
321.11380	19.3
322.11661	1.9
423.14267	0.2
454.95837	0.2
530.28644	0.2
585.22345	0.8
585.36591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06639	0.3
56.11450	0.3
57.03317	0.3
59.01267	2.1
61.98719	4.1
64.81886	0.3
65.82943	0.3
67.01746	0.3
68.99690	0.3
69.76171	1.8
71.01256	1.3
73.02802	0.3
75.00776	0.4
78.95806	0.7
85.02836	0.7
87.00754	0.4
89.02320	0.6
93.03378	0.6
95.01268	0.4
96.95903	0.7
98.19835	0.3
99.00799	0.4
101.02329	0.5
105.78572	0.3
108.02081	0.4
109.02825	1.5
111.20161	0.3
117.03390	0.3
119.04953	0.5
119.64588	0.3
119.82217	0.3
121.02860	1.4
123.04443	0.4
125.02380	0.7
127.04022	0.3
132.02084	1.1
133.01988	0.3
133.02872	2.1
134.03647	0.4
135.04439	1.2
137.02347	0.4
146.55009	0.3
147.04468	0.5
148.01634	1.5
149.02353	0.9
150.03163	0.4
151.00296	0.6
157.06384	0.6
161.02354	0.3
165.05612	0.3
175.03975	0.4
181.06561	0.3
185.05991	0.8
187.07562	0.5
199.03955	0.6
199.07564	1.5
201.09286	0.3
211.04039	0.6
213.01869	0.5
213.05472	0.4
213.09169	0.4
215.03461	0.4
225.01979	1.5
225.05560	0.8
226.06198	0.3
227.03499	0.6
227.07103	0.8
239.07170	0.7
241.05072	1.2
243.02980	0.6
243.06602	1.1
250.06279	0.4
251.03625	0.3
251.07179	0.8
253.04979	0.7
253.09041	0.4
254.05971	0.4
255.06573	0.4
267.06567	0.9
268.07501	0.9
269.04678	1.6
269.08124	2.2
275.07233	0.4
277.08762	0.3
278.05872	0.5
279.06561	0.6
289.05197	0.4
289.08548	0.6
291.10190	0.4
293.04642	0.7
294.05435	0.6
295.05957	0.3
301.08441	0.5
303.06610	0.5
303.10156	0.6
305.04654	0.7
305.08215	0.5
306.05170	0.7
307.05997	0.7
307.09738	0.3
308.03360	0.6
309.03897	0.4
315.10236	0.4
317.08182	0.7
319.06152	0.6
319.09958	0.5
321.03958	0.4
321.07755	0.7
322.04831	0.5
323.05731	1.0
331.09741	0.7
333.07718	0.5
333.11093	0.6
334.04993	1.1
335.05594	1.2
335.09213	0.6
337.07327	0.8
347.09421	0.7
348.10065	1.8
349.06989	0.8
349.10907	1.9
359.09161	0.8
360.10089	4.2
361.10861	2.0
362.07831	1.0
363.08502	0.6
365.06711	2.6
376.09622	0.4
377.06540	6.3
377.10391	27.9
378.06958	1.1
378.11060	10.1
379.11914	9.3
380.12231	0.9
385.26218	0.6
393.13663	0.9
403.12314	0.3
405.09961	0.9
411.24200	0.4
419.11334	0.9
420.12225	38.8
421.12866	15.8
422.13474	1.5
523.16266	0.6
565.17279	2.7
583.18298	100.0
584.18671	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	583.1831
Annotation	Sachaliside 2
Peak:m/z	Relative Intensity
59.01263	2.5
61.98717	0.4
65.03854	0.3
67.01794	0.2
69.66022	0.9
69.66438	0.2
71.01286	0.6
73.02838	0.2
79.05419	0.9
83.01304	0.2
85.02837	0.4
89.02348	0.2
91.01807	0.3
93.03356	2.5
93.03918	0.2
95.01305	0.2
95.04945	0.2
101.02336	0.2
103.05439	0.4
107.04931	2.3
108.02082	0.5
109.02874	0.2
116.49035	0.2
117.03379	1.7
119.04939	0.6
121.02864	0.4
122.03646	0.2
123.04430	1.3
129.80827	0.2
131.04961	0.8
132.02098	9.3
133.02922	2.3
134.03619	0.5
135.04443	0.5
142.34944	0.2
143.04976	0.2
143.08662	0.2
145.02859	0.3
148.01585	0.2
149.02438	0.3
149.06067	0.2
151.04044	0.2
155.08513	0.2
156.05717	0.2
157.06490	0.9
158.03609	0.2
159.04507	0.5
159.08084	0.3
161.02428	0.4
163.03918	0.3
169.06528	0.8
170.07281	0.3
171.04512	0.5
171.08141	1.3
173.09726	0.5
175.03899	0.4
175.07587	0.2
178.06303	0.4
180.05830	0.3
181.06497	0.5
182.03772	0.2
182.07376	0.3
183.04416	0.3
183.08105	0.8
185.06036	1.1
186.03085	0.2
187.07625	0.7
189.09216	0.3
193.08669	0.7
194.07378	0.3
195.04495	0.4
195.08182	0.3
196.05241	0.6
197.06096	1.1
198.06726	0.3
199.03975	1.4
199.07658	1.0
200.04706	0.8
200.08453	0.2
201.05525	0.6
203.03465	0.4
206.07481	0.2
208.05301	0.4
209.06038	0.7
211.03987	0.5
211.07652	0.9
212.04832	0.6
212.08139	0.2
213.05559	1.0
214.06271	0.9
215.03625	1.0
215.07130	1.3
217.08682	2.3
218.08940	0.2
219.08156	0.3
221.06110	0.4
221.09824	0.3
222.06812	0.3
223.04031	0.2
223.07681	0.6
224.04779	0.3
225.05553	0.9
226.02744	0.5
226.06233	0.8
227.03542	1.4
227.07101	2.0
228.04108	0.2
228.07755	0.3
229.05151	0.6
231.02991	0.3
233.09750	0.6
235.07651	0.4
236.04880	0.4
237.05550	0.8
238.06316	0.5
239.03439	0.3
239.07121	1.7
240.04333	0.4
240.07625	0.2
241.05045	2.0
241.08755	0.4
242.05801	0.4
243.06442	1.0
244.07111	0.4
244.09236	0.5
245.07870	1.7
247.07549	0.4
247.11256	0.4
248.08496	0.4
249.05592	0.7
249.09264	0.2
250.06395	0.4
251.03523	0.3
251.07320	0.8
252.04329	0.5
253.05110	0.9
254.05939	1.1
255.06653	5.2
256.07410	3.3
257.04565	0.3
257.07825	0.4
259.07715	0.3
259.11337	1.1
260.08527	0.4
260.12100	0.3
261.05481	0.4
261.09570	0.9
261.12872	0.7
262.06448	0.4
262.09595	0.2
263.07031	0.9
264.04282	0.2
264.07684	0.2
265.05182	0.6
265.08771	0.2
266.05838	0.8
267.03693	0.2
267.06668	3.4
268.07397	1.4
269.08057	0.3
270.05362	0.9
271.06204	0.6
271.11508	0.2
273.05716	0.2
273.09225	0.7
274.06461	0.5
274.10016	0.3
275.07220	0.8
275.10825	1.8
276.04575	0.2
276.07947	0.4
276.11362	0.3
277.05362	0.4
277.08722	0.9
277.12146	0.4
278.05768	0.4
279.06738	0.5
281.04681	0.4
285.07507	0.8
286.08289	1.0
287.07254	0.7
287.10837	1.1
288.08124	1.0
288.11151	0.2
289.05441	0.3
289.08728	2.4
289.12421	0.6
290.06137	0.3
290.09430	0.7
290.13147	0.3
291.03137	0.3
291.07001	0.3
291.10303	1.2
291.13916	0.4
292.03873	0.2
293.04675	0.4
293.12122	0.2
294.05521	0.3
294.08704	0.2
298.09970	0.3
299.10806	0.6
301.08694	1.3
302.09384	0.6
303.06900	0.3
303.10315	3.0
304.07605	0.4
304.11075	1.7
305.04593	1.1
305.08252	1.5
305.11920	1.9
306.05423	0.6
306.08884	0.4
306.12576	0.4
307.06119	1.3
307.09531	0.3
313.09113	0.3
314.09506	0.2
315.06656	0.5
315.10358	1.5
316.07373	0.4
316.11078	1.0
317.04572	0.7
317.08267	1.1
317.11859	1.2
318.05386	1.2
318.08902	0.4
319.06079	1.2
319.09784	3.0
320.06924	0.3
320.10471	0.8
321.11325	0.6
322.11990	0.4
329.08255	1.0
330.05396	0.3
330.08917	1.5
331.06326	0.2
331.09830	3.5
331.13791	0.2
332.06891	0.8
332.10565	1.2
333.07733	3.5
333.11368	0.7
334.08417	1.3
334.12198	2.1
335.09183	0.4
335.12903	3.2
336.13324	0.4
341.07950	0.4
342.08884	0.9
343.09732	1.6
345.07904	1.1
346.08459	0.7
347.09274	7.2
348.10062	14.9
349.10730	5.7
350.11588	2.2
351.12341	1.3
358.08466	0.3
359.09293	4.4
360.10086	18.3
361.10760	8.1
362.11310	0.8
363.08896	0.3
377.10410	1.9
378.11157	30.2
379.11908	72.0
380.12271	8.9
403.11447	0.3
421.12772	0.9
523.16254	4.5
524.16382	0.6
535.16467	0.2
553.17487	1.0
554.17529	0.3
555.18744	0.7
565.17200	2.6
566.17743	0.6
583.18304	100.0
584.18658	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	583.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72448	2.0
55.01765	3.4
57.03336	4.2
59.01273	16.6
60.01572	2.4
61.98721	15.5
64.24763	2.0
64.44427	2.5
65.03848	2.3
67.01778	2.6
68.44788	2.1
68.99687	5.4
69.03334	4.4
69.57967	6.3
69.58397	10.9
71.01269	22.5
72.99179	5.8
73.02821	4.4
75.00768	2.8
79.01789	2.6
81.03355	13.3
82.02866	3.4
83.01285	16.7
85.02837	9.6
87.00772	3.0
89.02348	6.8
89.68143	2.1
91.01752	2.6
93.03358	17.2
94.45816	2.4
95.01271	3.7
95.04944	5.0
97.02843	14.2
99.00777	8.9
99.04418	5.9
101.02344	9.3
102.58351	2.4
107.01305	5.3
107.04921	4.5
108.02058	2.9
109.02866	18.5
109.78613	2.3
111.00758	8.7
111.04411	8.8
113.02346	8.8
117.03378	12.2
119.04904	4.1
121.02851	13.0
123.00802	6.5
123.04434	23.7
124.01624	2.9
125.02374	35.3
127.00333	2.6
127.03860	2.1
131.03409	2.5
133.02869	7.2
135.00816	3.1
135.04469	15.4
137.02377	27.2
137.06009	3.9
139.03935	12.2
145.02910	2.6
147.04439	5.8
149.02394	19.6
149.06078	4.0
150.03117	5.4
151.00302	6.6
151.03958	17.8
152.01067	4.7
153.01894	26.7
153.80423	2.2
154.64555	2.0
155.03438	3.1
159.04448	4.5
161.02382	11.1
161.04449	2.9
163.00310	10.9
163.03978	14.8
164.01140	2.8
164.04503	2.4
165.01912	20.2
165.05515	6.6
166.02664	12.6
167.03464	36.2
168.03757	2.7
171.04474	2.5
173.02353	4.4
175.04005	13.6
177.01897	24.5
177.04076	2.2
177.05482	5.4
178.02670	4.5
178.99846	3.5
179.03479	35.2
180.04324	11.0
181.01358	5.7
181.04984	7.2
183.02905	5.8
189.01941	6.7
189.05389	3.1
190.02573	4.2
190.06346	2.5
190.99820	4.6
191.03448	24.0
193.01385	19.5
193.04976	7.9
195.02983	22.1
195.06657	2.8
197.04544	8.3
199.04013	2.4
203.03435	7.3
204.04034	2.3
205.01413	20.5
205.04970	3.7
206.02106	4.9
207.03006	28.9
208.03624	2.6
209.04573	49.9
210.05028	3.7
211.06046	3.5
217.01251	3.1
218.02080	2.7
219.02979	37.0
220.03479	6.3
221.00897	9.8
221.04472	10.7
223.02457	15.8
223.06039	2.9
225.03905	12.4
227.05502	3.1
231.03000	7.4
233.00858	4.9
233.04546	6.7
235.02469	25.5
236.02913	4.5
237.03947	14.4
239.05576	24.6
241.04967	3.6
245.04471	3.3
247.02415	7.4
248.03075	2.6
249.04099	20.3
251.01968	10.0
251.05486	2.6
253.03419	14.6
257.04483	4.4
259.02563	2.3
259.06259	2.7
261.04102	5.5
263.01950	6.5
263.05695	4.0
265.03525	18.5
267.04916	11.2
269.04263	4.1
269.06696	9.4
273.06277	13.8
275.05679	2.5
277.03568	8.6
279.05072	11.7
281.06854	4.5
283.06210	5.9
284.06754	2.3
285.06290	4.8
287.05600	4.3
291.05185	5.1
291.10004	2.9
293.03058	5.6
293.06494	2.7
295.04431	13.2
297.07196	7.5
299.07825	10.1
301.03711	3.2
301.07037	4.6
307.04648	7.2
309.06171	13.4
311.05075	7.4
312.06219	3.9
313.06091	8.6
315.04922	5.2
323.05295	4.3
323.12537	3.7
325.05887	12.1
327.04779	4.9
328.05798	2.7
329.06570	4.1
337.05765	12.0
339.05121	7.6
340.05304	2.8
341.06775	14.2
343.07300	3.6
345.06302	4.0
353.06482	21.5
354.06430	3.7
355.06927	7.1
356.07520	3.9
357.06213	8.9
363.09497	5.1
365.06464	4.3
367.04877	3.6
369.06076	15.5
371.07852	5.2
373.05594	3.2
383.07779	12.2
385.05429	13.4
387.07162	5.5
389.11148	19.8
397.05319	4.2
399.06827	12.1
401.08923	5.3
403.06775	7.0
405.08704	9.8
413.08716	5.0
415.06644	13.5
417.08658	4.5
425.08987	3.0
427.08856	53.2
428.09531	7.5
429.08374	9.0
431.09784	10.3
432.10495	3.5
433.07684	7.7
441.08386	5.3
443.09793	16.7
444.10147	5.2
445.09918	18.4
446.10672	22.2
447.09711	6.4
448.10159	3.1
457.07938	4.6
458.08441	3.2
459.09198	15.8
460.09558	2.9
463.08908	20.9
471.09207	4.5
473.10583	7.4
475.08997	48.3
476.09659	22.1
477.09909	6.6
487.08835	3.5
489.10352	6.6
493.09940	28.2
494.10126	2.9
505.10135	9.8
509.12891	7.6
510.13455	2.6
522.13849	3.6
523.10986	3.5
532.12457	7.8
533.13135	83.1
534.13263	12.0
537.12506	6.3
547.11060	6.5
548.11621	4.8
549.12665	51.6
550.13019	10.9
565.12048	26.1
565.32361	6.4
566.12854	37.4
567.13245	5.5
583.13104	100.0
583.21716	11.8
583.33618	24.3
584.13580	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	582.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32906	0.7
53.40921	0.6
59.01268	25.2
61.02276	0.6
61.47959	0.6
66.84782	0.5
70.62830	2.2
71.01271	1.2
78.95795	23.5
78.98479	0.8
79.95625	2.4
80.96410	13.9
82.95984	1.5
85.02833	0.7
94.97990	2.9
136.99130	0.6
148.99109	0.8
152.99567	2.9
164.98586	1.7
168.04234	3.6
224.06960	8.2
225.00745	1.7
225.07390	0.7
226.01190	1.5
231.10539	0.6
242.08029	2.2
257.57785	0.6
265.25494	0.7
283.26489	100.0
284.26840	10.5
343.05838	0.6
508.34201	75.5
509.34601	11.0
545.37189	0.7
582.30463	21.6
582.39600	1.1
583.30109	4.5
583.93188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.1
58.00481	1.3
59.01264	56.8
61.98717	7.4
63.02267	1.0
65.00213	11.2
66.00542	2.8
67.00621	0.6
67.05409	0.6
69.03349	0.9
69.78378	0.7
70.04946	0.5
71.01268	36.0
71.54224	0.8
72.01588	0.6
72.99204	2.9
73.02834	6.1
75.00749	1.7
81.03300	0.7
83.01272	9.0
84.01630	1.7
85.02839	7.5
87.00780	5.6
89.02335	51.2
90.02693	1.1
93.03341	5.4
94.03675	1.5
95.01304	1.3
97.02847	1.1
99.00774	1.4
99.27659	0.7
101.02346	25.9
101.03018	1.4
102.02710	0.7
107.01295	17.4
108.01574	6.3
108.32415	0.6
109.01762	2.1
109.02841	1.2
111.00755	0.9
111.08022	0.6
113.02349	12.3
116.92816	0.6
117.03406	1.0
119.03583	3.9
119.04941	34.5
120.05276	14.7
121.02821	2.0
121.05534	3.0
123.04449	0.7
125.02368	8.5
126.02676	1.6
127.02755	0.9
127.28503	0.6
131.03423	17.9
134.03674	0.6
136.01538	0.7
137.02411	1.1
143.03352	0.7
143.04976	0.7
145.02890	5.9
146.03181	3.7
147.03384	0.8
149.02664	0.9
149.04500	37.8
151.00308	81.4
152.00642	28.7
153.00775	19.2
153.09129	3.7
153.18852	0.7
154.01137	0.7
160.01657	0.7
161.02428	1.4
161.04446	2.4
161.05975	1.6
164.01035	1.0
165.01807	3.9
166.02261	0.8
166.04897	0.8
167.02240	0.9
167.03499	0.7
168.00677	0.8
169.01343	1.2
170.01747	1.4
175.00345	1.4
175.03949	1.2
176.04684	1.1
177.01913	4.7
178.02205	2.6
179.02199	1.1
179.03499	1.7
179.07011	1.3
185.06041	1.2
186.06267	0.9
187.03979	1.1
188.04327	1.7
191.05574	8.5
191.07135	1.5
193.01385	1.2
194.01793	0.8
194.05763	0.8
196.00053	1.1
198.07745	0.8
209.08121	4.3
209.15453	1.8
227.07071	1.8
228.07541	1.3
229.07765	0.9
235.02373	0.8
251.07684	1.8
257.06726	0.7
269.04575	2.2
270.04932	2.6
271.06189	36.4
272.06525	31.0
273.06738	29.3
274.07117	1.8
293.08981	0.7
311.09930	2.1
313.07053	1.2
315.07706	1.4
326.72565	0.7
339.07159	1.0
340.07556	0.8
341.07956	1.6
344.80014	0.7
357.08447	0.7
375.09863	0.7
377.29495	1.1
459.11832	0.8
460.11810	4.5
461.12433	13.3
462.12869	1.0
477.30737	5.1
495.31891	1.2
521.26099	45.2
521.33466	10.6
522.26642	7.3
522.34070	1.6
539.34351	1.6
545.33374	1.5
563.16052	0.8
581.17877	100.0
582.18115	10.9
582.26624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13882	0.3
57.03333	1.7
59.01262	4.6
59.30628	0.3
61.98718	5.6
70.54106	0.8
71.01269	3.4
72.99200	0.6
73.02834	1.2
75.00771	0.5
83.01276	1.1
85.02832	1.8
87.00762	0.7
89.02337	1.7
93.03344	1.2
95.01292	0.6
97.02841	0.6
99.00772	0.6
99.04415	0.5
101.02352	1.6
106.79140	0.3
107.01347	0.5
107.04917	0.4
108.02090	1.0
109.02895	1.7
111.00763	0.4
111.04399	0.3
113.02363	1.4
113.09247	0.3
116.92773	0.6
117.03408	0.8
119.03399	0.4
119.04956	0.9
121.02866	0.7
123.00774	0.4
123.04451	0.5
124.01569	0.5
125.01451	0.5
125.02364	8.5
126.02733	0.4
126.08830	0.3
127.00300	0.4
133.02892	0.4
135.04436	1.2
136.01607	0.4
137.02376	5.4
139.00282	1.0
139.03922	0.7
140.07074	0.5
145.02846	1.8
147.04465	2.3
149.02426	1.4
150.03171	0.8
150.05431	0.3
151.00262	1.9
151.03935	5.3
152.01099	1.8
152.04703	1.3
153.01895	1.9
153.05508	0.6
154.02676	0.7
158.03629	0.7
159.04448	0.3
161.02414	3.8
161.04500	0.7
161.05957	0.4
162.03159	1.3
163.00331	0.4
163.03952	5.8
163.05205	0.5
165.01900	1.7
165.05544	0.6
166.02580	0.9
166.06299	0.9
167.03459	1.0
168.04021	0.3
173.02394	1.2
173.06039	0.7
174.03163	3.1
175.00447	0.6
175.03958	16.8
176.04745	3.5
177.01910	1.4
177.05521	2.3
178.02504	0.3
179.03419	2.4
180.04243	12.2
181.04918	1.4
184.03735	0.5
188.04779	3.4
189.01994	0.3
189.05525	7.6
190.06322	21.9
191.03523	1.4
191.07095	14.6
192.04253	1.1
192.07486	1.1
193.05028	10.7
194.05811	10.1
195.03111	0.4
195.06325	0.4
198.05313	0.5
203.07123	2.5
205.08682	20.4
206.05861	0.5
206.09030	1.4
207.06636	9.0
208.07384	11.3
209.04497	0.4
209.07779	0.6
219.02954	0.4
222.09021	1.3
223.06065	1.1
223.09752	1.1
232.18460	0.3
249.04102	0.3
269.04630	1.8
269.42310	0.4
293.04584	1.1
294.04944	1.6
295.05087	3.0
296.05441	1.5
297.05731	1.1
298.04779	0.5
299.05148	0.6
300.05493	0.4
315.07153	0.3
327.05096	0.4
344.13004	0.4
359.11493	0.9
359.15475	0.5
374.13779	2.8
375.14169	0.4
389.16144	100.0
390.16470	11.5
405.88577	0.3
415.09494	1.1
416.09659	0.9
417.09891	1.4
419.12170	0.9
419.17197	4.8
473.07324	0.5
491.09085	0.5
500.86227	0.3
521.33405	0.7
581.15228	6.2
581.32068	1.0
582.15710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73054	0.4
55.01766	0.6
57.03337	1.3
59.01263	10.6
59.30073	0.5
61.98709	2.4
65.00220	1.1
68.99693	0.4
71.01265	7.9
71.51326	0.5
72.99192	0.9
73.02821	2.0
75.00738	0.6
78.01028	0.4
83.01289	2.5
85.02839	2.9
87.00759	1.2
89.00216	1.5
89.02327	3.4
91.01819	0.7
93.03347	1.6
95.01288	1.4
97.02877	0.7
99.00755	1.5
101.02357	4.8
106.00501	1.9
107.01292	0.9
108.02108	3.1
109.02852	1.0
111.00764	1.2
113.02361	3.0
119.03352	0.5
119.04935	1.8
121.02869	33.8
122.03181	1.6
123.00791	1.8
123.04424	0.8
125.02353	2.2
127.00255	1.1
131.03383	0.7
135.04419	0.9
136.98694	1.3
137.02361	5.3
138.03160	3.4
139.00281	1.4
139.03886	0.9
143.03441	0.6
145.02887	1.7
147.04433	1.6
149.04503	1.1
151.00272	3.0
151.03963	3.7
152.01112	5.2
152.04817	0.9
153.01863	1.6
153.05510	27.2
154.02631	0.6
154.05867	0.5
159.04393	0.6
161.02359	0.9
161.04486	1.1
162.03278	0.6
163.03955	3.9
165.01840	1.5
165.05540	0.8
166.02657	0.9
166.06334	1.0
167.03448	0.7
173.02426	0.7
174.03159	2.1
175.02518	0.9
175.03970	11.3
176.04623	2.8
177.01892	1.3
177.05481	1.3
178.02621	0.6
179.03482	1.3
179.07095	1.3
180.04236	9.3
181.04930	1.6
182.02153	1.6
184.03700	0.5
188.04750	2.9
189.05525	5.6
190.06340	16.2
191.03462	0.6
191.07092	11.0
192.04126	1.0
193.05060	7.5
194.05833	7.8
197.04530	100.0
198.04877	4.6
203.07085	2.7
205.08693	15.7
206.05832	0.5
206.09042	1.0
207.06631	7.0
208.07384	7.4
209.04590	0.7
209.08092	1.5
211.04248	0.6
222.08990	1.0
223.09781	0.8
269.10272	0.6
271.06265	0.8
272.06543	0.9
273.04123	0.7
273.06750	1.1
287.14966	0.6
309.03839	0.4
338.51495	0.5
359.11331	1.6
374.13547	2.5
389.16153	87.4
390.16470	9.5
401.14288	0.5
419.17276	6.2
420.17484	0.8
429.10309	1.5
461.12173	0.7
514.39990	0.5
521.25891	1.6
521.33313	3.4
539.34467	0.6
563.41833	0.5
581.16162	8.7
581.31360	2.9
582.16864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2035
Annotation	Auriculatin 4'-O-glucoside
Peak:m/z	Relative Intensity
58.89985	0.2
59.01249	0.6
60.32220	0.1
60.85260	0.2
61.98706	0.7
70.11926	0.7
71.85086	0.2
93.03362	0.5
96.95921	0.2
98.20406	0.2
107.04941	0.4
109.02863	0.5
121.02860	0.7
133.02870	0.6
135.04463	0.7
137.62521	0.1
148.01544	0.2
149.02385	1.0
172.05150	0.2
175.03914	0.3
197.06099	0.2
201.01965	0.2
211.07607	0.2
237.05635	0.2
237.09154	0.2
239.10712	0.2
241.12421	0.2
253.04977	0.2
255.06691	1.5
256.07144	0.2
267.06674	4.8
268.06992	0.3
269.08060	0.2
277.08676	0.3
285.11539	0.3
289.08621	0.2
291.10303	0.2
293.08221	0.2
293.12039	0.3
295.09836	0.5
305.08286	0.2
307.09750	0.2
309.11398	0.9
310.12283	0.8
311.12875	0.6
317.08276	0.3
319.09845	0.4
320.10236	0.2
321.07745	0.3
331.09680	0.3
332.10495	0.2
333.07733	0.3
335.09363	0.2
347.09332	0.3
349.06854	0.3
350.07800	0.2
361.07169	0.4
361.11011	0.3
363.08752	0.7
363.16055	0.4
364.09711	0.5
373.14581	0.5
375.08673	0.5
375.16190	0.2
376.09421	0.5
389.10434	0.4
391.15598	2.6
392.15909	0.3
401.14102	0.9
403.11893	0.3
404.12671	0.3
417.13470	0.2
419.15079	100.0
420.15417	13.3
435.14569	0.2
461.29272	0.2
558.22845	0.2
581.20282	4.1
582.20520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10236	0.2
57.03329	0.3
59.01269	1.5
61.98713	4.0
65.00187	0.2
65.03865	0.2
67.01771	0.3
70.60883	0.3
71.01258	0.8
71.55995	0.3
71.56360	0.2
85.02847	0.4
89.02358	0.4
93.03333	0.6
96.95895	0.4
109.02855	1.7
110.20872	0.2
113.02374	0.3
117.03337	0.3
119.04973	0.4
121.02843	0.6
123.04408	0.4
125.02360	0.6
133.02882	0.8
135.04428	0.8
139.03929	0.3
148.01579	0.5
149.02376	1.0
149.05965	0.3
151.00357	0.5
151.04001	0.2
157.06517	0.5
161.02365	0.2
175.03859	0.3
177.01974	0.3
181.06543	0.3
183.04558	0.2
197.06055	0.7
199.07623	3.6
201.02016	0.3
201.09312	0.4
209.06038	0.4
223.07637	0.7
225.05748	0.4
225.09337	0.3
227.03575	0.3
227.07021	0.5
239.07025	0.4
241.05061	1.0
241.08665	1.7
243.06676	0.3
249.05629	0.5
252.04301	0.2
253.05409	0.3
265.08408	0.3
267.06677	3.3
268.06995	0.4
269.04636	0.5
281.08420	0.4
289.08850	0.6
291.06894	0.4
303.10101	0.5
305.08231	0.5
309.07764	0.6
317.08221	0.7
319.09702	0.5
321.04080	0.8
321.11737	0.5
331.09891	0.5
332.10770	0.4
333.07635	0.5
335.05621	0.3
349.10828	0.6
358.08508	0.3
359.09253	0.7
362.07703	0.3
363.12515	0.9
375.08414	0.5
375.12656	0.5
376.09583	2.8
377.10272	2.2
391.11948	4.4
392.12045	0.5
401.10147	0.5
419.11447	100.0
420.11816	11.5
581.16833	3.4
581.36584	0.3
582.17096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1529
Annotation	5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
50.55122	0.4
55.01773	0.5
57.03337	11.4
59.01262	13.6
60.01596	0.3
61.98716	14.9
65.00212	0.9
70.85773	0.9
71.01272	8.1
72.99194	1.7
73.02832	2.4
75.00764	4.4
78.95839	0.4
81.03345	2.2
82.10664	0.4
83.01271	6.6
83.63441	0.4
85.02838	2.9
87.00777	1.5
88.98706	0.8
89.02341	4.7
90.02715	0.4
93.03345	3.9
95.01279	1.3
95.04926	0.4
96.95912	0.5
97.02843	0.9
99.00797	1.9
99.04425	0.5
101.02348	4.7
103.03963	0.4
107.01302	1.0
107.04916	0.4
108.02077	16.4
109.02264	0.5
109.02883	6.1
113.02361	2.9
115.59909	0.5
116.92779	2.6
117.01849	0.4
117.03392	0.5
119.03446	0.9
119.04932	1.7
121.02856	2.7
122.05983	0.4
123.00813	0.9
123.04427	1.4
125.02364	85.6
126.02696	2.9
131.03380	0.5
133.02896	4.6
134.03651	2.8
135.00826	0.4
135.04407	1.4
135.08141	0.4
137.02374	11.1
137.03329	0.4
147.04425	0.4
148.03976	0.6
149.02385	2.8
149.04498	0.9
149.06015	0.6
150.03125	0.6
151.00296	2.8
151.03963	2.9
152.01089	34.4
153.01866	2.2
157.06580	0.8
159.04494	2.5
160.01529	0.4
160.03925	0.6
160.05154	0.4
161.02386	28.7
161.04552	1.2
162.02777	1.3
163.03952	1.7
165.01883	4.8
165.05438	1.1
166.02606	0.4
166.05026	1.0
167.03392	1.0
173.06030	0.6
175.02544	0.5
175.03987	1.1
177.01906	8.6
177.05457	1.6
178.02393	0.6
179.03471	1.1
179.05608	0.6
179.07079	0.6
180.04297	0.6
185.02431	0.9
186.03145	0.3
190.02618	0.5
191.03503	0.5
191.05563	0.5
193.01537	0.4
193.05052	2.7
194.05461	0.9
195.02895	0.7
195.06714	0.7
197.04485	0.9
197.06070	0.6
199.07677	0.6
200.04535	0.4
201.02176	0.4
201.05562	5.0
202.05922	0.4
203.03494	1.0
204.03929	0.4
205.04987	0.5
209.08189	0.5
210.01534	0.5
217.05084	0.4
219.06737	0.4
222.68416	0.4
223.06059	0.8
225.05757	1.7
225.07529	0.4
241.05115	3.5
243.06625	1.6
269.04553	3.9
271.06241	0.5
272.06824	0.7
287.05682	18.5
288.05988	1.0
297.07782	0.6
309.04132	0.4
309.07776	0.4
314.20734	0.4
315.07538	0.8
327.12411	0.6
329.13351	0.6
339.12366	0.5
377.29321	0.7
389.16110	1.5
419.17105	1.1
429.10416	9.8
430.10565	0.8
458.08331	0.6
477.30542	0.6
520.32153	1.2
521.26306	0.7
521.33380	4.8
538.32861	0.4
539.34528	0.6
545.33521	0.8
581.15198	100.0
581.31458	4.9
582.15564	15.8
582.24927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34913	0.2
59.01265	16.0
61.98480	0.2
61.98717	2.6
71.01257	0.5
71.51879	0.5
78.95796	6.7
79.34835	0.2
80.43826	0.3
80.96398	1.3
82.28322	0.3
84.66084	0.3
96.95910	4.8
96.96861	0.6
98.95472	0.4
107.01314	0.3
115.91996	0.7
116.92769	0.6
119.04950	0.5
151.00325	1.2
152.00569	0.3
152.99504	2.3
168.04265	1.2
179.45749	0.3
179.89157	0.5
180.89966	0.2
185.21643	0.2
196.89453	0.8
199.13747	0.3
224.04938	0.3
224.06949	1.1
236.92665	0.4
242.08058	2.7
272.06564	0.7
281.24915	100.0
282.25256	9.5
490.97131	0.3
506.32626	36.4
507.33032	5.6
580.18646	1.6
580.28528	1.9
581.18286	1.9
581.27490	0.4
599.20215	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1528
Annotation	B 90063
Peak:m/z	Relative Intensity
59.01249	1.8
61.98700	1.8
69.33791	4.6
71.01263	1.9
80.84126	0.5
83.01261	0.7
85.02820	0.7
87.00764	0.7
89.02342	1.1
93.03366	1.8
96.95910	1.2
101.02332	1.2
109.02844	1.0
113.02362	0.9
117.03384	4.4
119.04948	1.5
121.02866	0.6
123.04404	1.2
125.02357	1.4
135.04445	4.4
137.02371	1.1
137.78009	0.5
139.00375	0.6
145.02881	0.6
145.97049	0.6
147.04510	0.5
149.02382	2.0
153.01831	0.7
159.04436	0.6
161.02374	2.3
163.03918	1.9
165.01852	0.7
167.03447	1.4
175.03966	1.3
177.01875	0.9
177.05489	1.6
179.03448	1.0
189.01921	0.5
189.05563	0.6
191.03487	1.5
195.52626	0.6
203.03432	1.6
209.04495	1.9
221.04588	0.8
235.02423	0.7
239.05527	1.1
245.04669	0.6
251.07112	0.5
267.06540	0.9
268.07440	0.7
269.04514	0.8
281.04541	1.5
282.05411	1.6
283.06262	6.1
293.04581	0.5
295.06201	3.9
296.06912	1.7
297.07736	17.0
297.11118	0.9
298.08118	1.4
307.06277	2.6
309.07828	1.4
311.05652	7.9
318.84232	0.6
323.05801	4.1
323.09152	1.0
324.06354	1.2
325.07285	6.0
326.07941	0.7
327.30807	0.6
328.05942	2.4
335.05661	1.8
337.07312	2.4
339.05194	0.8
339.93311	0.6
341.06662	2.3
353.06732	34.4
354.07248	3.4
355.08054	1.2
365.06720	3.3
369.05911	0.5
371.07642	1.6
383.07800	17.2
384.08176	2.1
395.07788	2.1
397.09543	0.6
401.08737	2.1
413.08908	1.8
425.08896	0.8
431.10004	1.0
443.09976	0.9
455.10025	0.9
461.10864	3.8
473.10968	8.9
474.11441	1.2
491.12247	1.7
563.13916	2.2
581.15222	100.0
582.15503	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	579.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59547	0.2
59.01257	1.6
61.98716	100.0
62.98450	0.2
65.00209	0.5
71.52258	0.2
72.85294	0.2
76.26731	0.3
78.95812	1.0
83.01277	0.4
107.01269	1.1
119.04929	1.9
119.75399	0.3
145.02917	0.3
151.00298	3.9
152.99641	0.4
177.01895	0.4
200.37524	0.2
252.59647	0.2
262.04645	0.3
271.06155	2.4
277.21765	2.9
278.22116	3.4
279.22391	1.8
280.22836	1.3
314.70703	0.3
365.27206	0.3
417.13422	0.4
459.11908	0.6
502.29678	0.9
503.29974	0.6
504.30252	0.8
505.30289	1.6
579.17377	3.7
579.30786	0.3
580.17926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68776	0.1
57.03333	0.3
57.22032	0.1
59.01266	2.0
59.03452	0.1
61.57013	0.1
61.98717	100.0
62.98430	0.2
64.18653	0.1
65.00208	0.2
68.49094	0.1
71.01266	0.7
71.60068	0.1
71.97941	0.1
72.99200	0.2
73.02833	0.2
75.00751	0.1
78.70927	0.1
80.81147	0.1
83.01289	0.4
85.02850	0.3
87.00783	0.2
89.02342	0.3
93.03354	0.1
99.00784	0.1
101.02344	0.3
107.01299	0.5
109.02866	0.4
111.00800	0.1
113.02365	0.4
119.04927	0.8
120.05294	0.3
121.02853	0.2
121.13152	0.1
125.02358	0.8
135.04469	0.5
136.04811	0.2
137.02351	0.2
145.02863	0.2
147.04393	0.1
149.02394	0.1
151.00298	1.4
152.00578	0.5
153.01852	0.1
160.03999	0.2
161.02454	0.2
161.04465	0.1
165.01886	0.1
175.03981	0.1
177.01904	0.3
190.02641	0.2
203.26706	0.1
228.07703	0.1
269.04709	0.1
271.06207	0.6
272.06525	0.7
286.11838	0.1
355.15445	0.3
356.16110	0.4
357.16516	0.3
358.16592	0.3
359.28198	0.1
419.11874	0.4
460.12323	0.3
500.25589	0.3
517.42297	0.1
580.17499	1.9
581.17926	0.3
597.26953	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	579.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16439	0.4
55.01771	1.1
57.03335	1.8
58.00478	3.8
59.01264	100.0
60.01595	1.3
61.62297	0.5
61.98717	8.5
64.89903	0.4
65.00210	2.6
69.03347	1.4
70.59163	1.2
71.01270	35.1
72.01626	0.5
72.99202	5.6
73.02836	27.3
74.03167	0.6
75.00757	5.5
81.03353	0.8
82.18493	0.4
83.01278	3.9
83.04932	0.7
85.02844	14.2
86.00005	1.1
87.00771	9.6
87.04414	3.5
87.49126	0.4
89.02337	28.6
90.02705	0.5
91.71849	0.4
93.03381	2.0
95.01266	0.9
96.95919	0.9
97.02838	1.6
97.06481	0.6
99.00778	1.8
99.04409	1.2
101.02345	56.4
102.02676	1.2
103.03912	19.8
107.01300	4.5
107.04913	0.9
108.02069	1.0
109.02870	2.6
113.02364	5.6
115.03922	5.6
117.03371	1.3
119.03429	11.2
119.04921	7.8
120.05337	0.5
121.02852	1.5
123.00743	0.5
123.04433	0.8
125.02374	6.7
126.02714	0.6
127.03930	1.9
131.03427	11.0
133.02856	0.8
134.03650	1.3
135.04414	2.0
135.39667	0.4
137.02383	1.8
139.03873	0.5
143.03427	13.6
143.04991	2.8
144.03772	0.5
145.02948	0.7
145.04999	6.5
145.14532	0.4
147.04457	0.9
148.03966	0.7
149.02399	1.3
149.04512	1.5
149.05956	0.7
150.03133	1.3
151.00308	19.4
151.03938	1.5
152.00807	1.0
153.01820	1.2
157.06511	0.8
159.08125	0.7
161.02367	1.0
161.04491	2.2
161.96175	0.4
163.06070	83.4
163.56898	0.4
164.05058	0.5
164.06432	3.3
165.01883	1.5
165.05547	1.5
166.02698	3.2
166.05052	1.9
167.03494	2.0
169.01387	0.5
169.04970	0.4
171.04443	0.4
175.00342	1.3
175.03960	1.0
177.01904	2.3
179.03519	0.8
179.05557	1.5
181.05046	4.1
183.08092	1.8
185.06062	6.2
186.06386	0.7
187.03935	0.6
191.05690	0.4
193.01427	0.8
193.05048	1.5
205.07146	23.3
206.07523	1.6
225.05560	1.0
227.07140	43.9
228.07428	3.2
233.06644	0.5
235.08232	1.4
241.04808	0.6
253.05095	3.2
253.09221	1.0
255.06769	1.7
265.09338	9.0
269.04520	0.5
270.05237	1.5
271.03189	0.6
271.06177	13.1
272.06439	1.3
281.08237	0.8
284.06573	0.5
285.04074	1.3
285.07645	3.6
286.08411	1.2
293.04581	2.8
293.08746	1.6
294.04935	2.6
295.05133	2.4
295.10339	0.6
301.10931	0.8
307.10425	0.5
309.04221	0.8
311.05511	0.5
312.06305	0.5
313.07245	0.9
316.09512	1.0
325.11432	1.7
327.12552	0.6
331.11859	3.1
339.12210	0.6
343.07483	0.5
343.21326	1.7
357.13577	1.5
387.14926	0.8
413.08826	0.8
415.09659	0.5
417.15863	4.5
459.12042	2.6
476.75122	0.5
489.14667	0.9
519.27954	11.3
520.28644	1.7
537.32672	1.2
579.17151	39.9
580.17352	7.8
580.25299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.6
59.01255	1.5
61.98737	0.3
63.96119	1.5
64.96906	0.4
69.03343	0.8
70.33762	1.0
71.01270	8.8
71.01668	0.5
72.99194	0.5
73.02838	1.9
78.95744	0.3
78.98033	0.5
78.98483	7.1
79.95623	10.8
80.63657	0.2
80.96409	76.8
81.03365	0.6
81.96336	0.3
83.01272	0.4
85.02837	3.8
87.00771	3.8
89.02340	0.4
91.03845	0.4
94.97985	19.0
95.01308	0.3
96.95912	6.4
97.02872	1.7
99.00777	0.8
101.02341	2.5
106.97987	3.9
107.01286	0.6
109.02887	0.3
109.44226	0.3
113.02344	0.8
119.04950	0.8
120.99635	0.3
122.97480	3.3
125.02361	3.5
126.67137	0.2
127.03911	0.8
134.97507	5.7
135.59023	0.3
136.16870	0.3
136.99049	1.7
141.40770	0.3
143.03442	0.3
148.99083	7.3
149.00282	0.4
151.00334	2.0
152.98566	6.6
152.99681	0.5
161.04604	0.3
164.98581	14.2
164.99966	0.7
165.98845	0.4
167.00122	0.4
188.98590	0.3
206.99666	2.7
225.00745	18.1
226.01172	0.4
255.23213	0.5
269.25012	0.4
271.06183	1.1
279.23273	2.6
299.04520	3.3
423.81403	0.3
579.28540	100.0
580.28894	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	579.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
55.15118	0.4
57.03333	2.0
58.00480	3.3
59.01265	76.9
60.01609	1.1
60.84903	0.4
61.98716	13.3
65.00201	0.8
66.83725	0.4
69.03336	1.0
70.09920	2.0
71.01270	60.6
72.01612	1.3
72.99199	4.7
73.02837	9.9
75.00760	1.5
81.03357	0.5
83.01275	4.1
85.02840	9.6
85.99968	0.8
87.00772	6.2
88.98696	1.0
89.02338	94.1
90.02681	1.3
93.03359	1.7
94.89220	0.4
95.01281	1.0
96.95924	1.2
97.02850	1.2
99.00793	2.2
99.04381	0.8
101.02346	47.1
102.02661	1.1
107.01291	1.7
108.02055	0.6
109.02855	2.0
109.04504	0.5
111.00770	2.3
113.02347	12.2
117.03384	1.1
119.03442	5.3
119.04926	4.0
121.02864	0.9
123.04446	1.1
124.01621	0.6
125.02366	4.4
131.03424	35.6
132.03734	1.1
133.02867	1.3
135.04440	1.3
137.02396	2.7
139.03917	0.7
143.03406	1.9
145.02826	0.6
149.04498	100.0
150.03148	1.8
150.04829	2.4
151.00317	7.1
151.03885	0.9
152.01050	1.4
153.01869	1.2
159.04388	0.5
161.02426	0.7
161.04498	3.6
163.00284	0.5
163.03964	0.5
165.01865	1.5
165.05481	1.4
166.02638	1.7
167.03430	1.3
170.95605	0.5
175.00304	2.0
175.03925	0.7
177.01865	3.5
179.03473	1.0
179.05632	0.6
181.04996	2.6
189.01979	0.5
191.03748	1.1
191.05588	19.2
193.01279	0.6
193.04965	0.5
195.06581	2.0
203.03403	0.6
205.04956	0.6
207.02911	0.8
211.04218	0.6
219.02930	0.8
251.07658	2.1
269.04620	0.7
270.05331	0.5
271.06210	3.8
281.04605	1.2
281.08777	0.8
283.06046	0.8
285.04095	1.5
293.08783	1.5
295.06290	1.1
298.04755	1.6
299.05652	0.7
311.05984	0.9
311.09827	4.2
312.06354	1.2
313.03424	1.3
313.07104	1.7
327.05026	1.9
327.13058	0.5
339.05124	1.8
357.06143	0.6
369.06204	2.4
381.06110	0.5
387.11124	0.8
387.20212	1.8
399.07187	3.1
402.12720	0.6
411.06754	0.5
416.78696	0.6
417.07678	0.7
417.15823	2.8
429.08289	0.7
446.08646	0.7
459.08997	2.7
485.12756	1.1
489.10532	4.7
490.10681	0.6
501.10291	0.7
519.11798	1.3
519.24573	28.5
520.24988	4.1
561.13348	0.6
579.14319	12.5
579.30139	0.6
580.14453	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	579.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14091	0.9
59.01258	5.9
61.98720	5.3
65.00201	2.6
71.29256	1.8
71.29596	1.3
78.95794	66.4
83.01263	2.4
91.05406	1.0
93.03355	3.7
96.95908	1.1
96.96857	11.6
101.10093	0.9
107.01277	3.5
108.02060	1.0
109.02849	2.6
119.04929	7.4
119.26446	0.9
121.02861	3.5
123.04430	1.0
135.04459	6.0
136.04797	2.5
145.03008	1.0
151.00310	19.2
152.99527	100.0
153.99907	2.2
171.00572	2.5
177.01935	1.2
184.05022	0.9
187.03951	1.2
199.50375	0.8
209.20773	0.9
223.00107	10.4
241.01193	23.6
245.37820	0.9
253.08809	1.2
254.09207	0.9
259.02365	2.0
263.20209	47.2
264.20651	4.6
271.06158	10.9
301.07623	1.2
315.04965	13.6
318.66763	1.1
323.12970	2.3
349.13684	1.5
442.17474	3.5
443.17755	9.1
459.11349	1.1
472.18265	1.5
473.18582	1.9
494.95981	1.2
579.17175	12.0
579.25800	95.7
580.17566	2.7
580.26178	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	579.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45540	0.7
52.74632	0.6
57.03341	4.6
58.30561	0.8
59.01265	21.1
61.91755	0.9
61.98715	5.3
63.02280	1.4
65.00211	9.1
65.03855	1.3
68.99677	0.9
69.03347	1.4
71.01270	14.1
71.56686	1.2
72.99194	4.9
73.02837	4.2
75.00774	2.2
78.95810	1.7
81.03370	1.9
82.54022	0.7
83.01280	8.0
85.02849	8.8
87.00804	2.9
89.02332	5.7
91.05460	2.7
93.02818	0.9
93.03348	3.9
95.01276	1.8
96.95948	2.1
97.02865	1.6
99.00801	3.3
99.04418	1.4
101.02353	9.1
107.01308	12.5
108.02151	1.2
109.02866	17.6
109.05232	0.8
111.00830	0.8
113.02355	7.2
117.03388	0.9
119.03515	1.2
119.04948	25.2
121.02870	13.2
123.04448	1.4
124.01546	0.8
125.02375	12.3
133.02869	0.9
134.03670	1.3
135.04460	40.1
136.04865	1.7
137.02393	2.5
139.03944	1.0
143.04948	1.0
145.01385	3.2
145.02855	3.4
147.04459	6.5
148.01614	0.8
149.02449	1.7
149.06030	5.1
151.00311	64.2
152.00723	2.4
153.01820	0.9
159.04446	0.9
161.02377	4.7
161.04546	1.3
161.06036	1.8
164.01152	1.7
165.01904	3.5
166.02614	1.1
167.03506	6.6
169.01422	2.0
171.10254	1.0
173.06017	0.8
174.03210	2.9
175.00375	1.3
175.03941	1.7
175.07629	1.4
176.01215	0.8
177.01868	4.7
178.99821	1.8
181.05109	1.3
185.06061	2.2
187.03979	2.9
188.04715	3.6
189.05551	0.9
190.06339	9.3
191.03497	1.0
191.07086	2.4
193.01456	1.4
197.04497	0.9
198.95087	0.7
199.07629	1.1
201.11259	2.3
203.07135	34.6
204.07506	2.0
205.08711	2.3
217.08743	11.0
220.03777	3.1
227.07187	2.4
229.05122	1.1
229.08717	6.4
235.02615	0.8
253.05161	2.4
254.05754	1.4
255.03052	1.1
268.07651	1.0
269.04575	1.4
271.06186	40.1
272.06390	3.6
273.07135	0.9
282.84879	0.7
296.06848	4.6
307.06744	0.9
313.07532	1.0
315.12387	1.5
316.84525	0.8
321.11356	1.2
329.23456	2.5
339.12445	69.6
340.12823	6.9
343.21323	1.0
357.13522	100.0
358.13855	11.5
381.10001	1.2
399.11108	1.2
399.27713	1.4
417.15686	1.6
441.12604	1.2
459.11545	10.2
519.31683	3.2
559.27570	0.9
561.16681	3.2
579.17297	52.8
579.34076	21.0
580.17700	9.2
580.28375	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	579.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.4
57.03314	0.9
57.77114	0.3
59.01268	7.3
59.26679	0.4
61.98717	3.9
63.02255	1.3
65.00199	5.8
65.03828	1.0
67.01755	0.4
71.01271	3.0
72.99196	31.5
73.02811	1.4
73.99514	0.9
74.99616	0.5
75.00739	1.0
81.03336	0.4
83.00816	0.4
83.01271	5.6
85.02829	1.6
87.00762	1.1
89.02328	5.1
91.05427	3.1
93.03358	4.2
98.19776	0.9
99.00745	0.6
101.02348	2.4
107.01292	10.0
108.02050	1.2
109.02155	0.7
109.02864	14.7
110.03173	0.5
113.02364	2.4
117.01857	2.5
117.03325	0.6
119.04940	18.6
120.05257	0.7
121.02868	12.7
122.03214	0.4
123.04445	0.4
123.08052	0.4
125.02351	3.5
133.02856	1.3
134.03633	0.9
135.04443	42.8
136.01508	0.5
136.04742	1.5
137.02322	1.0
145.01363	25.3
145.02821	1.5
146.01648	1.2
147.04436	5.5
148.01604	0.9
149.02307	0.5
149.06023	3.1
151.00302	40.1
152.00595	2.1
153.01904	0.5
159.04463	1.0
160.01581	0.6
161.02383	4.5
161.04494	0.8
161.06015	1.2
163.03879	0.6
165.01836	1.8
166.02576	0.4
169.01335	1.2
173.05977	0.7
174.03200	2.5
175.00348	0.6
175.03912	1.6
175.07594	1.0
177.01877	3.5
179.71501	0.4
181.05003	0.8
182.04999	0.4
185.05988	1.1
187.02521	0.9
187.03934	2.1
188.04762	3.9
189.05536	1.0
190.06328	6.0
191.07114	2.2
193.01419	0.8
199.07564	0.6
201.05582	0.6
203.07120	26.8
204.07428	1.2
205.08653	2.0
213.05374	0.4
214.06303	0.6
216.07886	0.4
217.08688	13.7
218.09041	0.9
220.03745	2.5
225.05563	0.5
225.09172	0.5
227.07159	1.3
229.05095	0.5
229.08714	5.6
230.09148	0.5
235.02548	0.5
240.04268	0.4
251.07146	0.6
253.05147	1.3
254.05815	0.8
255.06291	0.4
268.03796	0.9
269.04593	5.6
269.07825	0.8
270.04898	4.5
271.06186	31.7
272.03671	0.4
272.06360	2.7
291.18066	0.4
295.14331	0.5
296.06870	4.2
297.11307	0.4
307.06793	7.3
308.07062	0.6
313.07278	1.0
315.25421	0.5
321.11319	2.1
324.09851	0.5
339.12421	100.0
340.12762	10.9
357.13464	8.0
358.13947	0.7
401.14417	0.4
402.13361	0.4
417.15549	2.7
432.10214	0.7
433.10379	1.9
459.11667	3.9
475.29071	0.5
501.17773	22.9
502.17987	2.9
519.18744	4.1
519.31769	1.5
520.19489	0.6
537.32874	0.5
561.15710	0.6
579.17303	27.9
579.32788	2.2
580.17584	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	579.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	1.1
61.98723	0.8
62.79114	0.2
65.00214	0.3
65.34196	0.3
70.96437	0.5
70.96806	0.6
71.01283	1.2
73.02841	0.4
75.00817	0.3
79.10238	0.3
81.03348	0.4
85.02869	0.8
89.02330	0.5
93.03364	0.6
95.01316	0.8
99.00777	0.3
101.02376	0.8
107.04965	0.3
108.02136	0.4
109.02847	1.9
111.00769	0.5
119.04988	0.3
121.02869	0.6
123.00796	1.7
123.04470	0.5
124.01541	0.4
125.02369	1.2
133.02885	0.7
135.04407	0.4
137.02377	8.4
137.03433	0.4
138.03088	0.4
139.00288	0.4
139.03937	0.5
148.35619	0.3
149.02365	1.2
151.00302	14.6
151.03941	1.6
152.01114	1.4
152.04730	2.2
153.01859	0.5
159.04420	0.5
160.05237	0.5
161.02367	0.3
161.04451	0.6
163.03871	0.7
164.04747	0.4
165.01898	1.1
165.05429	0.3
166.02669	52.3
167.03357	3.6
168.04015	0.3
175.03935	1.1
177.01884	2.6
177.05487	0.4
178.02573	0.5
179.03442	0.8
179.07132	0.4
181.05026	67.7
182.05363	3.1
184.03761	0.9
189.05469	0.4
190.02673	0.4
190.06293	0.8
191.03398	0.9
192.04204	1.2
193.05003	1.0
195.02927	0.7
203.03534	0.4
205.05156	0.6
205.08623	0.7
206.05832	0.4
207.03011	0.6
207.06670	0.9
209.04472	0.6
217.05025	0.4
219.06686	0.5
231.03125	0.4
241.05052	0.3
281.04553	0.5
285.04034	0.6
298.04807	1.4
299.05374	0.6
301.07300	0.5
311.05746	0.3
313.03604	0.7
313.07047	0.4
314.07965	0.4
316.09564	0.3
326.04300	0.5
327.05035	1.0
339.05002	0.7
341.06586	0.4
341.10202	0.3
353.06470	0.3
357.09763	0.4
359.11447	1.7
369.06073	1.8
371.14941	0.5
387.10934	13.6
388.11569	1.3
399.07144	1.2
402.08310	0.5
402.13232	6.6
403.13556	0.7
417.15625	100.0
418.15970	13.2
429.08167	0.4
446.08426	0.6
459.09412	2.5
460.09647	0.4
489.10449	4.1
490.10577	0.5
519.11395	0.4
561.11951	0.4
579.13403	9.7
580.13397	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	579.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94263	0.2
55.01767	0.3
56.85407	0.2
57.03334	0.8
58.00475	0.5
59.01265	100.0
60.01601	2.1
61.01680	0.6
61.98717	29.8
65.00217	1.3
69.03346	0.5
70.65645	0.4
70.65979	0.4
71.01271	8.3
72.01617	0.6
72.99224	1.2
73.02840	4.6
74.03170	0.6
75.00751	1.6
75.03265	0.2
83.01273	2.1
83.04918	0.3
85.02845	3.4
86.03230	0.3
87.00765	1.8
87.04408	0.6
88.01149	0.3
89.02339	5.8
89.02845	0.4
90.02658	0.6
90.97262	0.2
91.02788	0.4
93.03368	0.6
95.01299	0.5
97.02868	0.6
97.06490	0.3
99.00792	0.7
99.04438	0.6
99.90723	0.2
101.02349	10.1
102.02686	1.7
103.02800	0.6
103.03903	2.8
104.04271	0.6
105.04356	0.3
107.01290	2.6
108.02086	0.5
109.02881	0.9
113.02352	2.6
114.02676	0.2
115.00243	0.3
115.03935	0.7
119.03478	1.7
119.04942	4.5
120.03663	0.3
121.02881	1.2
121.03728	0.2
123.04506	0.3
125.02326	1.5
127.03946	0.3
129.09169	0.3
131.03448	1.7
134.03659	0.4
135.04459	0.5
137.02406	0.5
143.03429	1.3
143.05008	0.3
144.03751	0.4
145.02948	1.1
145.04993	0.7
146.05325	0.4
147.04401	0.4
149.02336	0.5
149.04503	0.9
149.05916	0.4
151.00307	9.8
151.04041	0.3
152.00983	0.4
153.01842	0.4
159.03021	0.3
159.04462	0.3
161.04526	1.0
163.03926	1.0
163.06075	10.4
164.04985	0.4
164.06427	3.4
165.01845	0.4
165.06563	2.0
166.02615	0.6
166.05147	0.3
167.03470	0.4
175.03943	1.7
177.01900	0.6
179.05568	0.3
179.07034	0.3
181.05058	1.1
181.34795	0.3
185.06020	0.5
189.03914	0.2
190.06317	0.9
193.04999	0.4
205.05403	0.4
205.07121	1.9
206.07556	0.8
207.07870	0.3
215.16518	0.8
221.06473	0.3
222.05464	1.2
227.07175	0.9
235.07799	0.5
239.07178	0.3
245.17664	0.9
251.07108	0.5
252.07841	0.3
253.04999	0.4
253.08855	0.4
263.07141	1.1
264.07718	0.3
265.09213	0.8
266.09653	0.4
267.06738	0.6
267.09885	0.4
268.07697	0.2
269.05304	0.3
269.08191	1.5
270.04749	0.2
271.06183	5.7
272.06549	0.4
272.83493	0.2
278.09628	0.2
279.06610	1.3
280.07410	0.5
281.08267	2.0
282.09006	0.3
283.09891	0.7
291.06802	1.2
292.07248	0.3
293.08344	0.9
294.08994	1.3
295.09634	0.4
296.10596	0.4
297.07758	6.0
297.11078	0.4
298.08109	0.7
307.09732	0.3
308.10657	0.8
309.07748	7.9
309.11353	2.8
310.08499	1.1
310.11606	0.4
312.06525	0.5
312.10104	6.2
313.10440	0.9
323.05798	0.4
323.09308	2.6
324.10068	7.1
325.10587	0.7
327.12439	35.4
328.09381	0.4
328.12799	3.4
331.12228	0.3
332.11877	0.3
333.12613	0.4
339.12445	30.5
340.12759	3.5
357.13568	0.8
357.26477	0.3
375.27939	0.5
389.21951	0.3
407.22720	0.3
416.11444	0.4
417.15842	1.5
459.11731	1.4
519.24646	0.8
519.31799	9.0
520.32208	0.9
537.33008	2.2
560.01050	0.3
579.17163	9.8
579.31299	1.0
580.17413	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	579.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.9
58.93727	0.3
59.01266	100.0
60.01605	1.3
61.98711	0.9
63.02291	1.2
64.99884	0.5
65.00203	3.5
70.85823	0.8
71.01270	4.4
72.99179	0.8
73.02839	1.0
75.00774	1.1
83.01283	2.8
85.02827	1.6
87.00764	0.7
89.02338	2.8
92.01234	0.3
93.03355	2.1
95.01256	0.5
96.95916	1.5
99.00759	0.3
101.02339	2.0
107.01304	5.5
108.02109	0.7
109.02872	2.7
111.00816	0.4
113.02349	1.6
117.03369	1.1
119.03467	0.6
119.04951	8.8
120.05254	0.4
121.02870	2.5
123.04442	0.3
125.02380	2.1
126.03001	0.3
126.90288	0.9
127.05035	0.3
131.03473	0.7
133.02875	2.5
133.06512	0.3
134.03255	1.0
135.00862	0.4
135.04434	2.8
136.04866	0.3
137.02383	1.5
140.87764	0.3
145.02867	1.5
147.04440	0.8
148.01817	0.3
149.02386	0.6
149.04475	0.8
149.06000	0.6
150.03168	0.5
151.00310	19.1
151.03923	0.5
152.00806	0.7
153.01874	1.9
153.05583	0.5
157.02950	0.6
159.04524	1.8
161.02399	0.7
161.04544	0.8
161.06044	1.0
162.06625	0.3
163.03880	0.7
163.05974	0.6
164.01086	0.5
165.01889	0.8
165.05528	1.4
166.02551	0.6
167.03462	0.6
169.01370	0.5
169.06508	0.5
171.04463	0.4
173.06096	0.4
175.00377	0.5
175.03952	2.4
176.81508	0.3
177.01917	1.6
179.05698	0.3
179.07082	1.7
179.08452	0.3
181.04889	0.5
181.06433	0.9
182.06911	0.6
183.04434	0.9
184.04813	0.4
185.05971	1.0
187.03975	1.1
190.06339	0.5
191.05527	0.5
193.01424	0.6
193.05014	0.5
195.06683	0.5
197.05945	0.4
199.04019	0.6
201.01840	0.4
201.05551	0.7
202.05937	0.6
203.03404	0.3
205.05025	0.3
213.05557	1.3
222.05322	1.0
224.04774	1.0
225.05435	1.1
226.05492	0.4
227.03654	0.6
227.06895	0.4
229.05103	0.5
235.07748	0.4
241.05026	1.1
251.07231	0.4
253.08786	0.6
256.03726	0.5
257.04593	1.9
258.04971	0.4
261.05676	0.5
263.07224	1.0
264.07666	0.4
265.08777	0.4
267.06686	0.5
268.07333	0.4
269.04620	51.1
270.04959	44.2
271.05182	43.9
272.05579	1.7
279.06686	1.2
280.07217	0.5
281.08267	2.7
282.09067	0.6
283.09604	0.8
284.03403	0.9
285.04129	15.8
286.04327	1.5
291.06677	0.8
293.08267	0.9
294.05148	0.4
294.08939	1.2
295.09961	0.4
296.10596	1.0
297.07779	8.0
297.11121	0.5
298.08047	1.0
301.10867	7.8
302.11221	0.7
307.09866	0.5
308.10538	1.0
309.07715	10.7
309.11368	3.1
310.08240	1.6
310.11331	0.4
311.09250	0.4
312.06500	0.6
312.10098	6.8
313.07059	0.9
313.10541	0.7
323.09229	2.0
324.10114	7.7
325.10489	0.9
327.12451	35.7
328.12790	3.7
339.12442	34.1
339.15643	0.6
340.12787	3.5
353.06772	0.4
353.89017	0.3
354.07138	0.5
355.07416	0.8
357.13568	0.7
399.07162	0.5
403.19757	0.5
415.09543	0.4
417.15964	1.8
459.11844	3.7
463.16299	2.8
489.10529	0.6
519.24451	3.3
519.31836	0.7
520.24811	0.4
561.15741	0.9
579.16937	23.9
580.17395	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	579.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.1
57.03331	2.7
59.01265	14.2
61.98715	11.3
63.02279	1.9
65.00215	11.3
65.03877	1.0
69.40544	9.4
71.01275	7.3
72.99196	80.5
73.02834	1.7
75.00774	1.0
79.10889	0.9
83.01275	16.3
85.02844	3.2
87.00766	1.6
89.02333	14.7
89.55602	1.2
91.05441	3.6
93.03355	9.2
101.02360	4.5
107.01294	20.1
109.02873	17.9
113.02370	4.8
117.01848	9.1
117.03358	1.2
119.03528	1.4
119.04945	37.5
120.05263	1.4
121.02879	16.7
123.04452	1.2
125.02374	4.2
132.44254	0.9
133.02898	1.2
134.03667	1.3
135.04448	46.2
136.01579	2.3
136.04813	2.4
137.02390	6.5
138.03151	1.6
143.05011	1.7
143.85272	0.9
145.01367	67.8
145.02612	2.3
146.01732	2.2
147.04443	4.6
148.01552	1.1
149.02429	1.1
149.06030	3.6
151.00311	75.7
151.03925	1.9
152.00682	3.1
152.04720	2.5
161.02357	5.4
161.06032	1.8
163.03946	2.2
165.01880	3.1
166.02594	1.5
167.07109	2.4
169.01340	2.6
174.03214	3.1
175.04010	1.6
175.07594	1.1
177.01909	6.5
177.05460	1.2
181.05014	1.5
185.06107	1.6
187.03958	1.7
188.04803	4.3
189.05199	1.0
190.06340	5.8
191.07057	2.7
193.01364	1.4
203.07117	25.7
203.08894	1.8
204.07544	1.0
205.08780	1.1
217.08678	13.6
220.03780	4.4
227.07236	1.3
229.08734	5.7
246.59587	1.2
269.04575	2.9
270.05014	1.3
271.06189	54.7
272.06546	4.2
296.06937	3.3
301.07205	1.8
307.06799	16.6
313.07281	2.5
321.11249	1.3
339.12424	100.0
340.12756	12.0
357.13589	11.7
387.10898	2.9
402.13339	3.3
417.15646	31.5
418.16104	3.1
459.11636	12.6
463.12543	1.4
501.17731	29.1
502.18289	3.8
519.19287	5.3
519.32452	2.4
579.17340	58.0
579.33557	5.3
580.17670	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23451	0.5
57.03338	2.9
59.01265	27.3
61.98718	72.3
62.98401	1.0
63.02281	1.9
65.00208	12.0
69.03360	0.8
69.45885	4.9
70.70787	0.5
71.00896	1.1
71.01267	12.2
71.04914	0.7
72.99203	1.8
73.02845	4.2
75.00757	7.6
81.03365	1.6
81.38627	0.6
83.01276	10.6
83.02399	1.8
83.04919	0.7
84.02014	0.7
85.02843	6.4
87.00780	2.8
87.04402	1.1
89.02344	6.9
93.03362	7.7
93.72535	0.8
95.01311	1.0
95.04954	0.8
96.95900	1.8
97.02847	0.9
97.06490	1.3
99.00779	1.7
101.02348	10.6
102.48484	0.6
103.03917	1.8
107.01297	22.3
108.02073	2.0
108.98013	0.5
109.02873	2.8
111.00815	0.6
111.41077	0.5
113.02345	5.2
115.00289	0.7
115.03986	0.8
116.92780	1.0
117.03348	1.5
119.03529	1.4
119.04944	43.2
120.05281	2.2
121.02879	1.6
123.00832	1.0
123.04407	1.3
125.02364	11.3
131.03412	1.3
133.02852	1.6
134.03638	1.1
135.02953	0.6
135.04478	3.1
136.01595	1.0
136.98738	0.8
137.02371	3.9
139.00296	1.0
143.03453	1.2
143.04951	1.2
145.02884	5.2
147.04436	0.7
149.02380	1.9
149.04486	2.1
149.06029	0.9
150.03195	1.2
151.00308	100.0
152.00665	4.2
153.01901	1.8
158.01315	0.5
159.03099	0.6
161.02390	1.6
161.04504	2.4
161.06029	1.5
163.00362	0.7
163.03964	0.9
163.06070	2.6
164.01060	1.3
164.98279	1.5
165.01881	4.1
165.05438	0.8
166.02678	5.1
166.05035	2.0
167.03471	4.1
168.34851	0.6
169.01419	3.3
169.05022	0.9
171.10263	1.7
175.00313	2.6
175.03940	1.3
176.01064	0.6
177.01886	6.8
179.03444	1.2
179.05579	1.4
179.07033	0.7
181.05022	6.2
185.05988	2.9
185.30147	0.6
187.04027	3.8
191.03371	0.8
193.01416	3.6
193.05014	0.7
205.01407	1.2
205.05005	1.0
205.06947	0.6
208.07439	1.2
211.13428	1.3
215.16495	0.8
223.06084	0.8
227.07199	3.1
229.05002	0.8
229.14398	1.8
235.02469	1.9
243.06912	0.6
245.17514	0.9
253.03349	0.9
253.09303	5.1
269.04550	1.6
270.05188	1.0
271.06180	77.8
272.06528	6.1
273.07932	1.0
284.03372	1.6
285.04163	5.1
287.05588	1.3
295.05832	1.3
301.03723	0.7
301.07254	0.9
301.10858	0.8
311.05487	0.9
313.07220	9.1
325.07175	0.8
327.05060	0.9
327.12354	1.2
343.08163	1.0
343.21292	13.0
344.21384	0.7
357.13373	3.1
373.09375	3.4
375.27740	0.8
387.10687	1.2
387.15161	0.7
391.23343	0.8
397.09055	0.7
399.11057	1.4
402.13434	0.6
417.15811	8.7
418.16229	0.7
441.11386	0.8
459.11719	11.3
460.12320	1.3
519.24719	1.7
519.31879	16.5
520.32648	1.3
523.11749	0.6
537.32861	4.6
561.16223	2.0
579.17279	82.0
580.17468	13.7
580.25433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23451	0.5
57.03338	2.9
59.01265	27.3
61.98718	72.3
62.98401	1.0
63.02281	1.9
65.00208	12.0
69.03360	0.8
69.45885	4.9
70.70787	0.5
71.00896	1.1
71.01267	12.2
71.04914	0.7
72.99203	1.8
73.02845	4.2
75.00757	7.6
81.03365	1.6
81.38627	0.6
83.01276	10.6
83.02399	1.8
83.04919	0.7
84.02014	0.7
85.02843	6.4
87.00780	2.8
87.04402	1.1
89.02344	6.9
93.03362	7.7
93.72535	0.8
95.01311	1.0
95.04954	0.8
96.95900	1.8
97.02847	0.9
97.06490	1.3
99.00779	1.7
101.02348	10.6
102.48484	0.6
103.03917	1.8
107.01297	22.3
108.02073	2.0
108.98013	0.5
109.02873	2.8
111.00815	0.6
111.41077	0.5
113.02345	5.2
115.00289	0.7
115.03986	0.8
116.92780	1.0
117.03348	1.5
119.03529	1.4
119.04944	43.2
120.05281	2.2
121.02879	1.6
123.00832	1.0
123.04407	1.3
125.02364	11.3
131.03412	1.3
133.02852	1.6
134.03638	1.1
135.02953	0.6
135.04478	3.1
136.01595	1.0
136.98738	0.8
137.02371	3.9
139.00296	1.0
143.03453	1.2
143.04951	1.2
145.02884	5.2
147.04436	0.7
149.02380	1.9
149.04486	2.1
149.06029	0.9
150.03195	1.2
151.00308	100.0
152.00665	4.2
153.01901	1.8
158.01315	0.5
159.03099	0.6
161.02390	1.6
161.04504	2.4
161.06029	1.5
163.00362	0.7
163.03964	0.9
163.06070	2.6
164.01060	1.3
164.98279	1.5
165.01881	4.1
165.05438	0.8
166.02678	5.1
166.05035	2.0
167.03471	4.1
168.34851	0.6
169.01419	3.3
169.05022	0.9
171.10263	1.7
175.00313	2.6
175.03940	1.3
176.01064	0.6
177.01886	6.8
179.03444	1.2
179.05579	1.4
179.07033	0.7
181.05022	6.2
185.05988	2.9
185.30147	0.6
187.04027	3.8
191.03371	0.8
193.01416	3.6
193.05014	0.7
205.01407	1.2
205.05005	1.0
205.06947	0.6
208.07439	1.2
211.13428	1.3
215.16495	0.8
223.06084	0.8
227.07199	3.1
229.05002	0.8
229.14398	1.8
235.02469	1.9
243.06912	0.6
245.17514	0.9
253.03349	0.9
253.09303	5.1
269.04550	1.6
270.05188	1.0
271.06180	77.8
272.06528	6.1
273.07932	1.0
284.03372	1.6
285.04163	5.1
287.05588	1.3
295.05832	1.3
301.03723	0.7
301.07254	0.9
301.10858	0.8
311.05487	0.9
313.07220	9.1
325.07175	0.8
327.05060	0.9
327.12354	1.2
343.08163	1.0
343.21292	13.0
344.21384	0.7
357.13373	3.1
373.09375	3.4
375.27740	0.8
387.10687	1.2
387.15161	0.7
391.23343	0.8
397.09055	0.7
399.11057	1.4
402.13434	0.6
417.15811	8.7
418.16229	0.7
441.11386	0.8
459.11719	11.3
460.12320	1.3
519.24719	1.7
519.31879	16.5
520.32648	1.3
523.11749	0.6
537.32861	4.6
561.16223	2.0
579.17279	82.0
580.17468	13.7
580.25433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1732
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
57.03338	0.6
59.01266	2.3
61.98718	0.7
63.02287	2.5
65.00209	13.0
66.00534	0.5
67.64112	0.4
70.90263	0.6
70.90596	0.9
71.01288	2.0
72.99198	62.8
73.02850	0.7
73.99542	0.7
77.43324	0.4
83.01270	7.5
84.01618	0.4
85.02838	1.1
87.00780	1.0
89.02341	8.6
93.03360	7.9
97.02863	0.4
99.04456	0.4
101.02332	0.8
107.01297	23.7
108.01605	0.8
108.99207	0.5
109.02859	1.1
113.02348	1.5
115.00330	0.9
117.01855	6.5
117.03347	0.8
119.04944	45.0
119.59290	0.4
120.05273	1.9
120.92680	0.4
121.02884	1.3
125.02349	4.8
135.04449	1.5
136.01605	0.7
137.02373	1.3
138.21416	0.4
143.04991	1.3
145.01364	56.5
145.02855	3.3
146.01691	0.9
149.02390	1.0
151.00308	100.0
152.00630	3.2
153.01904	0.4
161.02409	0.6
161.04570	0.5
161.06017	1.0
163.00237	0.5
164.01088	1.4
165.01897	4.2
167.03387	0.6
169.01373	3.3
175.00346	1.5
177.01895	9.3
177.19887	0.4
178.02274	0.6
181.04863	0.5
185.06049	2.7
187.02521	1.0
187.04007	2.8
188.04645	0.5
193.01408	1.8
196.00075	0.6
203.07146	1.0
205.01427	0.8
208.40744	0.5
217.01508	0.5
227.07106	2.7
229.05180	0.9
235.02567	1.6
270.05258	0.6
271.06177	81.8
272.06512	7.0
298.54678	0.5
307.06766	17.6
308.07117	1.0
313.07260	3.3
339.07477	0.9
339.12421	3.2
370.82721	0.5
373.09503	1.4
417.11569	0.5
433.11328	1.1
459.11575	17.0
460.12241	1.5
501.17365	0.9
519.32410	0.7
579.17358	69.9
580.17694	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38707	0.3
59.01266	1.0
63.02277	1.8
65.00211	13.3
69.48366	2.7
74.05653	0.3
83.01273	7.7
93.03359	6.1
101.63463	0.4
104.89153	0.3
107.01295	21.5
108.02113	0.8
117.03394	0.7
119.04942	39.3
120.05296	0.9
121.29082	0.4
123.00781	0.5
125.02354	4.2
128.68254	0.4
133.02861	0.4
135.00862	0.4
136.01543	0.9
137.02361	0.4
143.04982	1.0
145.02881	4.3
149.02356	0.5
151.00308	99.3
152.00638	2.8
161.06004	1.6
164.01085	2.1
165.01869	3.7
169.01373	2.0
175.00342	1.9
177.01906	7.0
180.64873	0.4
185.06009	1.9
187.03973	2.8
193.01389	2.4
196.00079	0.7
205.01413	1.1
217.01408	0.7
227.07144	3.1
229.05084	0.9
235.02583	2.2
253.05064	0.7
269.04468	0.5
270.05322	0.9
271.06174	66.5
272.06503	4.6
295.04984	0.4
313.07166	3.3
314.07697	0.5
339.07278	1.4
373.09506	1.1
459.11572	18.8
460.12042	1.5
579.17291	100.0
580.17621	12.0
580.26892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00157	0.6
57.03330	1.3
59.01259	11.4
61.98717	7.8
63.02281	2.6
65.00204	11.8
65.03828	0.7
71.01268	8.6
71.60132	0.9
72.99195	100.0
73.02832	2.7
73.99542	1.1
75.00771	0.7
83.01274	14.5
85.02831	4.3
87.00780	1.6
87.04383	0.6
89.02340	16.8
91.05432	2.9
91.32207	0.6
93.03362	8.7
95.01294	2.2
96.95914	0.9
99.00756	1.1
101.02351	4.3
107.01288	21.0
108.02094	2.1
109.02859	11.2
113.02339	5.5
115.00260	1.0
115.03972	0.6
117.01846	8.9
117.03381	0.7
119.04938	40.1
120.05312	1.3
121.02867	9.6
123.04385	1.0
125.02366	5.9
131.07089	0.6
133.02858	1.3
134.03693	1.5
135.04443	34.4
136.01578	1.9
136.04787	1.6
137.02377	5.8
138.03122	1.1
143.05005	1.0
145.01358	86.5
145.02795	2.7
146.01711	1.9
147.04427	3.4
148.01503	0.7
149.02373	1.0
149.06003	2.8
151.00301	80.7
151.03850	1.4
152.00644	3.0
152.04646	1.0
153.01889	0.9
160.01517	0.8
161.02420	3.6
161.04521	2.0
161.05933	1.4
163.03940	1.0
163.06114	1.4
164.01099	1.5
165.01855	3.9
166.02658	2.2
167.03403	0.8
167.07047	1.9
169.01367	1.7
174.03169	2.0
175.00366	1.4
175.03922	1.3
175.07646	0.7
177.01891	8.3
177.05453	1.2
178.02324	0.7
181.04967	1.1
185.06032	1.7
187.02469	1.9
187.03990	3.3
188.04727	2.9
189.05371	1.2
190.06325	4.3
191.07137	2.7
193.01379	1.4
193.05022	0.6
198.05246	0.6
203.07109	18.7
204.07541	1.0
205.01414	1.0
205.08739	1.0
217.08650	12.0
218.09009	0.7
220.03796	2.7
227.07210	2.8
229.08643	4.8
255.06612	0.7
268.03940	0.8
269.04620	2.1
270.05127	1.5
271.06171	65.2
272.06540	6.1
296.07037	1.8
301.07404	1.5
307.06744	24.4
308.07248	2.0
313.07315	2.0
321.11545	1.0
339.12421	68.0
340.12708	6.7
340.16119	0.7
357.13504	9.2
373.09247	1.0
387.11023	1.7
402.13513	2.3
417.15668	25.2
418.16006	2.4
433.11768	0.9
448.76550	0.6
453.00540	0.6
459.11545	10.0
460.12381	1.2
501.17767	18.9
502.18332	2.6
519.18805	2.8
519.32251	3.0
537.32880	1.4
579.17383	57.6
579.32721	4.3
580.17627	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	579.137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11630	0.3
50.63953	0.3
57.03327	0.7
59.01012	0.4
59.01266	3.0
61.98713	1.6
62.71274	0.3
63.02284	2.9
65.00210	14.5
68.99678	0.3
69.27321	0.7
69.27721	3.1
71.01273	2.4
72.99197	68.8
73.02842	0.6
73.99524	0.6
81.03343	0.6
82.79125	0.3
83.01272	7.8
85.02853	1.8
87.00749	0.7
89.02340	9.8
93.03359	7.5
95.01280	0.5
99.00739	0.4
99.04493	0.4
101.02354	1.0
107.01292	22.7
108.01530	0.5
108.02150	0.6
109.02879	2.0
113.02361	2.3
115.00298	0.8
117.01851	5.5
117.03336	1.0
119.04942	43.4
120.05276	1.3
121.02867	1.8
125.02364	5.6
131.01306	0.4
131.03427	0.4
133.02937	0.5
135.00810	0.4
135.04465	4.8
136.01636	0.5
137.02406	0.8
143.04959	1.1
145.01363	60.2
145.02823	4.1
146.01692	2.0
146.03290	0.4
147.04425	0.6
149.02383	0.7
151.00307	100.0
152.00610	3.4
153.01924	0.3
159.02995	0.4
161.02371	1.1
161.04654	0.5
161.06035	1.3
164.01111	0.9
165.01869	4.4
167.03464	1.3
169.01379	2.7
175.00327	1.3
177.01901	6.9
178.02216	0.5
178.99904	0.4
185.06056	1.8
187.02429	1.6
187.04002	2.3
188.04631	0.4
190.06317	0.9
193.01424	2.0
196.00113	0.5
199.07523	0.5
203.07103	3.2
205.01448	0.8
217.01700	0.4
217.08696	1.4
220.03835	0.7
227.07111	2.8
229.05084	0.9
229.08730	0.7
235.02538	1.6
269.04590	0.8
270.05502	0.4
271.06174	84.0
272.06497	6.7
295.06464	0.4
296.06802	0.5
307.06760	18.0
308.07132	1.1
313.07306	2.8
339.07959	0.7
339.12408	11.1
340.12952	1.3
345.90839	0.3
357.13217	1.0
373.09415	1.1
417.15570	0.6
459.11588	15.0
460.11856	1.2
501.17712	2.6
519.18671	0.5
552.87781	0.4
561.15991	0.5
579.17377	65.3
580.17719	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	579.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	0.5
57.03337	0.6
59.01252	3.4
61.98720	7.8
65.00208	0.7
67.01807	0.6
68.99720	1.0
69.03364	0.5
71.01266	4.7
71.08731	1.1
72.99198	0.7
73.02834	1.3
75.00758	2.4
79.01783	1.3
81.03364	1.1
83.01279	1.2
85.02839	2.7
85.42544	0.4
89.02351	1.8
93.03336	2.3
95.01289	2.2
95.04918	0.8
97.02872	1.2
99.00787	1.4
101.02356	3.2
107.01292	1.8
107.04902	1.3
108.02092	1.5
109.02859	4.6
111.00797	1.7
111.04425	0.5
113.02346	1.5
117.03362	5.9
119.04918	3.0
121.02858	1.7
123.00810	3.0
123.04433	1.6
124.01573	1.5
125.02323	2.3
127.00366	0.7
131.04910	0.8
132.71439	0.5
133.02866	4.8
135.00819	1.3
135.04463	3.5
137.02376	12.4
138.02744	0.4
139.00323	0.9
139.03951	1.3
143.04991	0.6
145.02884	0.8
147.04443	1.3
149.02385	3.8
149.04568	0.4
149.06047	1.1
150.03127	1.1
151.00301	19.3
151.03931	3.4
152.01074	2.6
152.04707	1.9
153.01859	1.7
153.05565	0.6
159.04477	1.2
161.02405	3.5
161.04488	0.6
161.05989	0.8
162.03143	0.6
163.00339	1.8
163.03979	2.5
164.01083	1.6
164.04733	0.5
165.01898	4.2
165.05560	0.7
166.02673	58.1
167.03342	4.8
169.06532	0.7
171.04396	0.8
173.02443	0.6
175.03905	3.6
176.01102	1.1
177.01909	7.3
177.05504	1.1
178.02419	1.4
179.03491	3.5
180.00653	1.3
181.05034	66.8
182.05392	3.0
184.03835	0.6
185.06122	0.5
187.03975	0.9
189.01935	1.1
189.05536	1.3
190.02693	0.7
190.06279	0.9
191.03487	3.9
192.04210	1.2
193.01410	1.9
193.05031	2.0
195.02945	2.1
197.06084	0.8
201.01935	1.4
202.02589	0.6
203.03461	2.7
205.01460	1.7
205.05095	1.8
206.02133	1.0
207.02975	5.1
207.05049	1.8
207.06734	1.2
209.04431	1.1
211.04012	1.3
213.05504	0.6
214.06285	0.6
215.03545	0.8
217.05099	1.0
219.02951	3.4
220.03804	2.7
221.04562	1.3
225.05594	1.6
227.03615	0.8
231.03188	1.1
233.04573	1.4
235.02406	1.5
237.03838	0.6
241.05084	2.9
242.05812	1.2
243.02936	0.5
247.02487	0.7
249.04022	4.4
253.05099	3.6
254.05693	0.6
255.02969	0.6
255.06683	1.6
261.04129	1.3
263.02026	0.9
263.05380	0.6
267.03012	0.6
267.06741	1.0
268.03952	0.7
269.04645	4.0
270.05197	0.9
271.06134	1.1
279.05219	1.7
281.04639	4.8
282.05103	1.6
283.06125	2.9
284.03372	1.3
285.04083	6.0
286.04291	0.7
291.05078	0.9
295.06137	2.1
297.04068	2.6
297.06726	1.8
298.04889	19.2
299.05542	5.2
309.04065	0.9
311.05664	4.5
312.06403	2.6
313.03586	14.0
313.07236	4.1
314.03922	1.5
321.03940	0.6
322.92914	0.6
323.05594	2.1
325.03601	1.0
325.07126	1.4
326.04373	7.2
327.05011	9.8
328.05530	1.4
330.03851	3.2
331.04507	0.8
337.07230	0.7
339.05093	5.9
340.05615	1.0
341.06836	2.6
351.05151	1.2
353.06653	2.8
356.05383	1.2
357.06201	1.7
359.11371	1.4
369.06244	19.2
370.06583	1.8
371.07669	2.0
371.14954	0.7
381.06213	2.1
383.08023	0.8
387.10931	13.8
388.11282	1.1
399.07315	12.8
400.07501	1.5
402.13330	7.4
411.07361	2.1
416.07617	1.5
417.15622	100.0
418.15961	8.7
429.08325	3.7
431.09317	0.6
441.08469	1.8
446.08569	9.7
447.09290	2.5
453.07791	0.6
459.09409	18.5
460.09744	2.2
471.09579	1.7
489.10498	37.8
490.10956	4.4
519.11591	2.0
519.24451	0.6
543.11646	0.7
561.12531	2.9
563.14111	1.2
579.13599	78.2
580.13928	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01263	3.2
59.21245	0.5
61.38650	0.6
61.98702	1.6
65.00204	0.6
71.01263	4.3
71.08535	1.2
71.08881	0.8
71.51704	0.5
72.99201	1.0
73.02818	1.1
75.00760	2.6
78.01063	0.5
79.01760	1.3
80.27390	0.5
83.01273	1.3
85.02843	1.5
85.03358	0.5
87.00761	1.1
89.02328	2.3
93.03359	2.3
95.01283	1.2
96.95927	1.1
97.02831	0.7
99.00777	1.2
101.02332	2.8
107.01273	1.3
107.04937	0.9
109.02862	3.0
111.00780	2.2
113.02377	1.0
117.03370	5.6
119.04915	2.4
121.02859	1.7
123.04434	1.7
124.01575	1.4
125.02359	2.5
133.02878	6.3
134.03561	0.7
135.00693	0.8
135.04434	3.0
137.02399	3.8
139.03952	0.7
147.04449	1.9
149.02393	2.3
149.04384	0.9
149.06047	0.6
150.03123	0.9
151.00319	5.4
151.03918	2.3
152.01093	0.8
153.01910	1.2
159.04419	0.9
161.02464	2.5
161.06013	0.6
163.00305	2.1
163.03918	2.0
164.01125	1.9
165.01898	3.6
165.05528	0.7
166.02640	2.2
167.03427	1.3
171.04541	0.8
175.03976	3.2
177.01901	5.4
177.03439	0.6
177.04054	0.7
177.05443	0.7
178.02626	0.8
178.99840	1.2
179.03494	3.2
180.00546	1.3
181.05017	2.9
185.06056	0.9
187.03943	0.9
189.01936	1.8
189.05548	1.1
191.03490	3.1
193.01364	1.9
193.04990	0.7
195.02962	1.7
197.06042	1.0
201.01849	1.2
203.03404	1.3
205.01399	1.5
205.05046	1.0
206.02144	0.9
207.03003	5.2
209.06133	1.3
211.04030	1.1
213.05524	1.3
214.06186	1.1
217.01575	0.7
217.05115	1.3
219.02962	4.2
220.03697	2.5
221.04526	1.2
225.05573	1.2
227.03574	0.8
231.03017	1.3
233.00873	0.7
233.04591	1.0
235.02499	1.8
237.03757	0.8
239.03586	0.7
239.07274	1.0
240.04289	0.6
241.05098	2.6
242.05902	1.4
245.04608	1.0
247.02472	1.1
249.03902	3.5
253.05138	3.3
255.03073	0.9
255.06683	1.6
256.03650	0.6
261.04019	1.3
265.03442	0.8
267.06628	1.1
269.04605	3.9
270.05292	1.5
271.06168	0.8
277.03604	0.6
279.05148	2.2
281.04666	6.5
282.05219	1.6
283.02917	0.6
283.06223	3.0
284.03262	1.9
284.06744	0.9
285.04147	8.1
285.07303	1.0
293.04071	0.6
295.06140	2.0
297.04089	5.3
297.07126	1.2
298.04883	24.1
299.05533	7.0
308.03464	0.7
309.04123	1.5
311.02386	1.0
311.05646	4.8
312.06430	3.0
313.03580	13.8
313.07224	4.5
314.04077	1.4
321.03961	1.0
323.05676	1.7
325.03503	1.5
325.07089	1.8
326.04379	10.0
327.04910	15.1
328.05609	2.0
330.03928	3.7
339.05118	7.5
340.05505	1.1
341.06796	3.7
351.05057	1.2
353.06683	3.1
356.05042	0.8
357.06110	2.2
369.06204	20.6
370.06384	2.6
371.07492	1.3
381.06290	3.2
383.07510	1.1
398.05713	0.6
399.07263	18.9
400.07657	1.8
401.08655	0.7
411.07410	3.0
416.07574	8.4
417.09985	0.9
417.15286	3.1
429.08392	5.4
441.08304	3.5
446.08530	4.4
447.09567	2.9
459.09445	56.4
460.09747	6.6
471.09247	1.1
489.10550	17.1
490.10770	2.4
501.10437	1.1
519.11499	5.2
519.24536	1.6
561.12891	3.5
562.12695	0.6
563.14215	0.8
579.13654	100.0
580.13971	16.0
586.94800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56758	0.4
59.01269	3.6
62.71247	0.4
71.00453	1.2
71.01266	4.2
73.02850	0.6
75.00747	0.9
79.01777	1.2
83.01277	1.3
85.02847	1.2
87.00802	0.6
89.02325	2.4
93.03341	1.8
95.01311	0.8
97.02821	0.5
99.00803	0.6
101.02347	1.3
107.01295	0.9
107.04870	0.6
108.02062	1.1
109.02853	1.8
111.00804	0.7
113.02315	1.2
117.03377	4.3
119.04931	1.8
121.02838	0.8
123.00821	1.2
123.04395	1.2
124.01553	1.4
125.02321	1.0
131.03465	0.5
133.02893	3.3
135.00758	0.7
135.04417	1.8
135.33771	0.5
137.02338	2.0
139.03934	0.8
143.04955	0.4
147.04430	1.1
149.02417	2.2
149.04440	0.7
150.03198	0.6
151.00319	3.9
151.03911	1.3
152.01106	0.5
153.01794	0.5
159.04434	0.8
161.02377	3.1
161.04399	0.5
162.03081	0.4
163.00288	1.5
163.03926	1.7
164.01108	1.6
165.01872	3.2
165.05479	0.5
166.02606	0.9
167.03452	1.3
167.05022	0.4
171.04416	0.5
175.03937	2.1
176.01125	0.8
177.01889	4.5
177.03987	1.0
177.05493	0.9
178.02498	0.4
178.99883	0.7
179.03444	2.7
180.00522	1.4
187.04037	0.7
189.01881	0.9
189.05511	0.7
191.03358	2.4
193.01335	1.6
193.05118	0.6
195.02937	1.8
197.06023	0.8
197.09517	0.5
203.03461	1.8
205.01375	1.6
205.05072	0.8
206.02135	1.2
207.02988	5.7
207.04922	0.8
209.04486	0.6
209.06204	0.5
211.03990	0.8
213.05563	1.2
214.06238	0.7
215.03517	0.8
217.01547	0.5
217.05122	0.7
219.02983	3.4
220.03757	2.4
221.04486	1.5
225.05576	1.1
231.03029	0.5
233.04588	1.0
235.02455	1.8
237.03847	1.0
237.05948	0.6
241.05096	2.1
242.05850	0.7
245.04605	0.5
247.02504	1.1
249.04036	4.0
250.04388	0.6
253.05119	3.8
255.06581	1.4
256.03903	0.6
257.04568	0.7
261.04092	1.2
263.01950	0.7
265.03534	0.8
267.06702	1.1
269.04596	2.9
270.05341	1.2
271.06091	1.3
277.03665	0.6
279.05157	2.6
281.04599	6.1
282.05139	1.0
282.84409	0.5
283.02783	0.6
283.06039	2.8
284.03299	1.5
284.06454	0.6
285.04080	6.6
286.04285	0.5
293.03091	0.6
295.06161	1.9
297.03738	3.4
298.04880	21.5
299.05493	6.1
307.06122	0.8
309.03839	0.7
310.04901	0.6
311.02396	0.7
311.05612	3.2
312.06317	2.4
313.03665	12.6
313.07205	2.6
314.04031	1.3
314.07480	0.5
323.05719	2.1
325.03629	1.0
325.07178	1.5
326.04358	8.4
327.04984	12.8
328.05588	1.4
330.03818	2.8
337.03125	0.5
337.07144	0.7
339.05054	5.9
340.05533	0.8
341.06445	2.1
351.05188	0.9
353.06683	2.5
355.08429	0.7
356.05228	1.2
357.06149	1.5
369.06195	17.7
370.06519	1.7
371.07721	1.6
381.06168	2.5
383.07568	1.0
395.07932	0.7
399.07260	13.1
400.07660	1.7
401.08752	0.5
411.07153	1.9
413.08783	0.8
416.07455	4.9
417.08228	1.4
417.15588	0.9
423.07022	0.5
429.08310	5.1
430.08820	0.9
441.08231	2.7
446.08566	6.5
447.09222	2.0
459.09415	34.8
460.09763	4.0
471.09488	1.2
473.10684	0.8
480.18536	0.5
489.10474	25.9
490.10858	3.8
519.11621	2.5
519.24603	5.0
561.12677	3.4
562.12848	0.7
563.14301	0.8
579.13635	100.0
580.13934	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	579.137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
61.98717	0.6
69.28933	3.2
71.01258	1.4
73.02824	0.5
79.01759	0.3
83.01300	0.4
89.02323	1.4
95.01225	0.4
101.02356	0.8
107.01297	0.4
109.02892	1.9
119.03415	0.4
119.04984	0.5
119.87242	0.3
121.02902	0.3
125.02403	0.4
133.02875	7.2
134.03639	1.0
135.04453	1.4
137.02409	0.5
139.03883	0.3
149.02361	1.1
149.04482	1.2
149.05966	0.3
151.00337	0.5
151.03905	0.7
161.02409	0.7
163.03973	0.8
166.02669	0.4
174.03217	0.4
175.03958	2.1
177.01912	1.2
177.05536	1.0
179.03491	0.8
181.05104	0.5
187.04022	0.5
189.01923	0.4
189.05611	0.5
191.03456	0.6
199.03987	0.4
201.01950	0.8
203.03464	1.4
205.01344	0.6
205.05048	0.5
211.03914	0.3
213.05498	0.6
215.03508	0.6
217.05090	0.6
221.04575	0.3
223.04153	0.4
225.05614	0.5
227.03490	0.5
229.05151	0.5
231.02881	0.3
233.04581	0.9
235.02434	0.6
237.05450	0.4
239.07141	0.6
241.05055	0.6
245.04474	0.9
253.05060	0.5
254.05878	0.4
267.06631	1.0
269.04739	0.4
270.05331	0.5
271.05930	0.5
275.23352	0.3
281.04688	0.4
283.06097	0.9
284.06851	0.4
285.04062	0.6
293.04596	0.4
295.06180	0.6
297.04105	2.5
297.07080	0.5
298.04904	6.6
299.05621	3.3
309.04053	1.1
310.04758	1.0
311.05716	5.9
312.06448	7.2
313.03925	0.4
313.07187	7.9
314.07687	0.8
323.05670	1.5
325.07190	1.2
327.05197	4.5
327.82449	0.4
328.05298	0.5
338.04523	0.6
339.01077	0.6
339.05154	10.4
340.05463	1.3
341.06674	4.8
342.07077	0.4
344.05515	0.9
351.05011	1.2
353.06741	2.4
357.06223	1.9
367.04578	0.5
369.06198	36.3
370.06522	5.3
371.07922	0.7
377.06628	0.4
381.06189	5.2
382.06473	0.6
383.07806	0.9
395.07794	0.8
397.05820	0.4
399.07294	30.9
400.07516	3.1
411.07281	3.8
412.07385	0.6
413.08945	1.0
417.15594	1.0
423.07364	1.0
429.08319	6.2
430.08380	0.6
435.07297	0.4
441.08368	3.4
453.08215	0.4
459.09430	21.9
460.09747	3.1
471.09549	2.2
489.10492	19.5
490.10617	2.3
501.10300	0.9
519.11523	3.1
519.24695	1.0
520.11914	0.5
543.11566	0.9
561.12531	2.0
562.12958	0.5
579.13666	100.0
580.13977	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	579.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19794	0.6
59.01253	2.2
70.55560	0.9
70.55894	1.0
71.01256	2.1
72.99179	0.6
73.02850	0.8
75.00757	0.7
79.50606	0.6
81.09883	0.6
83.01270	0.7
85.02821	1.0
87.00808	0.8
89.02344	2.9
101.02377	1.5
109.02876	3.2
111.00766	1.0
113.02395	0.8
119.03456	0.6
119.04941	0.9
121.02857	1.0
123.04436	0.7
125.02315	0.7
133.02878	9.9
134.03568	0.7
135.04384	1.6
147.04391	0.8
149.02374	1.4
149.04497	0.7
151.00244	1.2
151.03954	1.0
161.02396	1.2
161.04524	0.6
163.04021	1.6
165.01834	0.6
166.02650	2.0
167.03511	0.7
173.02409	0.6
175.03926	2.9
177.01877	2.2
177.05547	0.8
179.03400	1.0
181.04994	4.0
189.01866	0.9
191.03497	1.7
201.01898	0.8
203.03506	1.5
205.01424	1.2
207.02945	1.1
217.05022	0.9
219.02895	0.7
225.05550	1.0
225.25938	0.6
233.04659	0.9
235.06009	0.6
239.07216	0.9
241.05136	0.9
245.04443	1.1
253.04686	0.7
254.05782	0.8
255.06621	1.1
267.06631	1.2
283.06210	1.9
284.02982	0.6
295.06076	1.0
297.04166	3.4
298.04840	6.9
299.05603	2.5
309.04132	1.5
310.04944	1.4
311.05661	6.5
312.06418	8.1
313.07187	8.1
323.05707	1.4
324.06424	1.0
325.03564	0.8
325.07263	1.4
327.05197	5.9
328.05771	0.7
339.05118	14.5
339.37067	0.7
340.05585	1.7
341.06708	6.9
344.05368	1.3
351.05261	1.5
352.05814	0.8
353.06641	4.3
355.04245	0.7
357.06186	2.6
367.04626	1.0
369.06216	45.8
370.06494	5.1
371.07809	1.1
381.06302	6.7
382.06470	0.6
383.07681	1.0
395.07874	0.8
399.07312	41.4
400.07706	5.8
411.07413	5.4
412.07648	0.8
413.08841	1.0
417.15891	4.3
423.07309	1.6
429.08350	7.6
430.08609	1.6
441.08374	5.5
442.08420	0.7
453.08554	0.8
459.09424	29.2
460.09888	4.1
471.09311	2.7
489.10468	23.3
490.10809	2.7
519.11633	5.0
519.24463	1.8
561.12622	3.2
579.13666	100.0
580.14056	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	24.1
60.01568	0.3
61.98715	3.9
63.99162	0.6
71.01284	0.3
78.95794	22.8
80.96396	0.9
96.96864	0.5
117.63412	0.3
119.04939	1.2
122.98454	0.5
151.00307	2.4
152.99532	3.5
168.04237	3.6
224.06917	8.8
225.07364	0.3
242.08054	2.3
255.48955	0.3
261.22226	0.5
262.84131	0.4
269.04626	0.6
271.06198	1.7
279.23343	100.0
280.23715	10.5
331.84558	0.3
415.22467	0.3
475.04727	0.3
504.31070	74.7
505.31384	10.8
578.16138	0.5
578.27295	1.2
579.17371	2.0
579.26080	0.4
598.13257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73303	1.3
57.03336	2.0
59.01267	3.8
66.29472	1.5
69.38834	1.5
69.81070	7.7
70.05049	1.5
71.04909	8.0
73.70594	1.2
83.04942	1.5
95.04929	1.5
97.02856	3.2
97.06490	5.2
99.00790	22.2
109.06485	2.6
123.08056	2.6
125.09655	14.3
135.08073	2.0
137.42651	1.4
142.02725	2.5
143.65794	1.5
163.11212	20.4
181.12309	56.5
182.12686	2.7
199.13377	15.1
207.10252	41.8
208.10558	2.6
225.11330	100.0
226.11642	3.7
243.12401	46.1
244.12729	3.2
258.86874	1.5
269.04672	7.1
277.21783	58.7
278.22058	5.1
293.04663	1.9
299.15076	17.9
300.15308	1.7
317.16116	37.4
318.16473	2.5
577.15857	5.0
577.37585	65.9
578.37830	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	578.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
61.98717	100.0
62.98424	0.2
63.96193	0.1
65.00224	0.2
71.01295	0.8
71.01622	0.2
71.03757	0.3
78.95820	0.2
78.98500	0.5
79.95216	0.2
79.95618	0.8
80.96413	4.8
85.02859	0.3
88.66084	0.1
94.97988	1.1
96.95911	3.2
101.02366	0.3
107.01308	0.2
119.04945	0.7
120.40919	0.2
122.97519	0.2
125.02338	0.2
134.97528	0.4
148.99104	0.4
151.00330	1.4
152.98572	0.5
157.84691	0.2
164.98578	0.9
166.27258	0.2
183.90199	0.2
204.29868	0.2
209.11891	0.4
225.00719	1.4
255.09685	0.3
256.10233	0.2
271.06219	1.1
279.23312	1.3
280.23700	1.9
281.23965	1.4
282.24487	0.8
480.92319	0.2
481.26089	0.2
579.17908	1.4
579.28485	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	578.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39116	0.1
59.01263	6.7
60.01599	0.1
60.13295	0.1
63.02295	0.1
65.00208	1.1
68.43923	0.1
70.92051	0.2
71.01274	0.2
73.02856	0.1
78.95792	2.0
79.95617	0.1
80.96391	0.5
83.01279	0.8
85.02847	0.2
87.00811	0.1
89.02343	0.1
93.03361	1.7
94.97984	0.2
101.02339	0.1
107.01296	3.0
117.03361	0.1
119.04942	7.9
121.02843	0.1
125.02370	2.0
136.01614	0.1
143.03363	0.1
143.04955	0.2
145.02888	2.1
148.89963	0.1
149.02365	0.3
151.00304	42.2
152.99525	0.4
161.06033	0.1
163.06035	0.1
164.01144	0.5
165.01891	1.3
167.03549	0.1
168.04266	0.5
168.05446	0.1
169.01401	0.9
175.00328	1.1
175.57562	0.1
177.01889	2.9
185.06018	0.2
187.03963	0.4
189.99168	0.1
193.01375	1.2
196.00107	0.3
203.07378	0.1
205.01410	0.5
217.01439	0.2
221.07347	0.1
224.06941	0.3
225.00783	0.1
227.07190	0.9
229.05009	0.2
235.02481	1.4
241.05118	0.1
242.08032	0.7
246.70981	0.1
253.03307	0.1
261.22180	0.1
268.03830	0.3
269.04550	2.8
270.04987	3.0
271.06168	43.1
279.23334	28.3
280.23700	2.9
280.26791	0.2
295.05853	0.3
299.04810	0.1
313.07239	2.5
339.07346	0.8
343.08331	0.1
357.08228	0.2
373.09378	1.0
397.09058	0.1
415.10385	0.3
417.11838	0.3
433.13297	0.3
441.10641	0.2
459.11600	16.6
473.12924	0.1
504.31064	8.8
505.31525	1.3
578.16180	4.5
578.26978	0.7
579.17261	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	577.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	16.0
69.84402	1.0
69.84817	2.7
71.01263	2.6
73.02825	0.7
85.02814	0.9
87.00774	0.8
89.02330	2.9
101.02349	3.1
113.02329	1.5
119.03416	0.6
133.05009	0.6
158.88695	0.6
161.04477	1.5
166.34738	0.6
178.71449	0.6
209.11824	1.4
219.07303	0.6
235.08228	1.0
236.15442	0.6
253.09306	13.8
268.03824	1.0
269.04565	4.7
281.24911	100.0
282.25290	12.8
293.04477	0.8
293.21198	0.9
309.13257	0.8
577.15961	3.8
578.16345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14817	0.2
54.43945	0.2
55.01760	0.4
57.03332	1.0
58.00485	0.4
59.01262	12.8
61.98717	2.5
65.00220	0.3
67.01795	0.2
67.60512	0.2
68.99707	0.3
69.03344	1.8
70.90222	0.6
71.01268	8.7
71.04906	0.3
72.99194	0.8
73.02821	1.5
75.00761	1.0
77.19085	0.2
81.03352	0.3
82.60901	0.2
83.01273	1.5
83.04912	1.1
84.02055	4.7
85.02847	3.6
87.00770	1.6
89.02332	6.1
91.03868	0.3
93.03355	0.7
95.01291	0.7
95.04910	0.2
96.95912	0.3
97.02839	1.7
97.06487	6.6
98.80282	0.2
99.00784	0.9
99.04408	1.9
101.02344	7.3
101.03014	0.5
103.00230	0.2
108.02042	0.4
109.02865	1.5
111.00811	0.3
111.08034	0.2
113.02357	4.4
117.03392	0.3
119.03408	1.7
119.04932	0.6
119.08573	0.7
121.02859	1.1
121.10154	0.4
123.04391	0.3
125.02335	1.0
125.09669	1.2
127.11192	0.5
131.03400	0.4
133.02846	0.2
135.04445	2.8
135.08072	0.6
137.02371	0.4
137.09660	1.1
141.01869	0.2
141.09048	0.2
143.03430	0.7
147.04501	0.5
149.02397	0.4
149.04527	0.3
149.13271	0.2
151.00342	0.5
151.11203	0.4
152.01091	0.7
153.09171	0.3
161.02377	0.4
161.04509	3.6
163.03966	0.4
163.11159	0.4
164.04770	0.4
165.01949	0.3
165.12798	0.6
166.21973	0.2
171.10216	16.6
172.10551	0.9
175.00330	0.6
175.11244	0.7
177.12724	0.3
179.05548	0.9
183.13907	0.9
185.11795	0.6
188.08582	0.2
190.02698	1.5
191.03273	0.3
193.04938	0.3
193.12311	9.9
194.12689	0.3
194.42934	0.2
197.11801	0.3
197.15442	0.4
203.10744	0.3
205.05049	1.6
207.10216	0.3
209.11853	0.3
211.13405	2.6
221.11844	0.8
225.14954	13.9
226.15262	0.9
233.11514	0.2
238.12099	0.3
243.16028	6.8
244.16466	0.4
253.09319	29.1
253.14348	1.2
254.09740	1.2
268.03757	1.0
269.01886	0.1
269.04599	3.8
270.04834	0.3
271.06015	0.3
272.16458	0.3
273.18588	0.5
281.04712	0.4
283.05936	0.3
288.07205	0.2
291.19647	1.2
293.04672	1.0
305.21350	0.3
309.04266	0.3
311.05594	0.4
315.12375	0.7
323.22589	0.4
335.52567	0.2
341.23373	100.0
342.23721	9.8
355.15558	4.6
355.24863	0.3
356.15839	0.5
368.79349	0.2
397.25958	0.3
413.08685	0.3
429.09125	0.3
434.45618	0.3
440.59598	0.2
455.10059	0.5
457.10712	0.3
497.25848	4.3
577.16681	2.1
577.33246	5.7
578.17126	0.3
578.32684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58472	0.5
55.01769	0.7
56.99660	0.5
57.03335	1.5
58.00473	2.9
59.01263	85.6
60.01601	1.4
61.98718	4.7
65.00219	0.9
69.03336	1.5
71.01268	32.2
71.23226	0.4
71.23550	0.9
72.99198	6.6
73.02834	28.7
75.00771	1.6
81.03371	0.8
83.01273	2.0
83.04922	0.8
85.02843	12.4
85.99975	1.4
87.00767	8.1
87.04417	2.8
89.02335	26.2
90.02673	0.7
93.03335	1.3
95.01276	0.9
96.95885	0.8
97.02843	1.1
99.00771	1.8
99.04433	1.2
101.02343	57.9
102.02689	1.4
103.03912	24.1
107.01269	1.3
108.02104	1.1
109.02868	1.4
113.02366	4.5
115.03885	4.4
117.03358	1.9
119.03426	11.7
119.04919	6.6
121.02862	1.2
125.02374	4.9
127.03916	1.8
131.03427	8.9
133.02821	0.7
134.03687	0.8
135.04419	3.1
137.02385	1.0
143.03427	9.9
144.03792	0.4
145.02953	0.8
145.05000	7.3
148.01532	0.5
149.02350	0.5
149.04465	0.4
149.06049	0.4
151.00296	5.5
152.01060	0.7
159.02977	0.6
160.01596	1.1
161.02405	2.9
161.04495	1.2
163.03865	3.2
163.06064	100.0
164.04579	0.4
164.05110	0.4
164.06412	3.7
165.05472	0.5
167.03358	0.5
171.10406	0.4
175.00314	2.2
175.03975	1.7
176.04517	0.5
177.01915	0.8
187.79883	0.4
193.05046	1.5
205.07135	18.0
206.07434	0.5
235.08008	0.7
235.10057	0.6
253.05194	0.5
255.64819	0.4
265.09360	6.6
266.09470	0.6
266.21365	0.4
268.03839	3.7
269.04581	13.8
270.05023	1.6
271.06192	5.8
272.06509	0.6
281.04651	1.1
282.05359	0.4
283.06186	4.3
284.03479	0.7
284.06509	0.5
285.04181	0.7
287.05649	3.0
293.04605	12.1
294.04916	0.9
295.05981	0.9
295.10413	0.5
295.56940	0.5
307.10349	1.0
311.05618	7.3
312.06119	0.7
323.05597	0.9
325.11475	1.7
327.21805	0.8
341.06784	2.0
355.11859	4.9
373.16537	1.8
397.12653	0.5
404.11487	0.4
413.08823	7.3
414.09326	1.0
415.15186	0.4
431.09888	10.6
432.10165	1.7
491.08221	0.5
517.30493	0.6
577.17072	11.0
577.31195	3.5
578.14960	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	577.288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79864	0.2
55.01772	0.9
57.03334	2.0
58.00483	3.5
59.01263	93.5
60.01597	1.2
61.98716	4.2
63.02291	0.2
65.00217	0.5
68.99717	0.2
69.03362	1.5
69.29774	0.5
69.30110	2.4
70.72655	0.2
71.01270	32.5
71.40068	0.2
72.01608	0.5
72.99202	5.6
73.02835	27.1
74.03159	0.4
74.62415	0.2
75.00765	3.7
81.03365	0.7
83.01277	5.3
83.04917	0.3
85.02843	13.1
85.99990	1.4
87.00770	8.0
87.04414	2.8
88.98682	0.2
89.02338	29.3
90.02715	0.3
93.03358	1.0
95.01292	0.8
96.95937	1.3
97.02863	1.3
98.20522	0.4
99.00795	1.4
99.04418	1.3
101.02347	61.1
102.02684	1.2
103.03915	22.7
104.04237	0.6
105.45534	0.2
107.01311	0.9
108.02077	0.3
109.02879	0.6
111.00803	0.3
113.02359	5.2
113.36773	0.2
113.95029	0.2
115.03920	5.5
115.04693	0.4
117.01891	0.2
117.03381	0.6
119.03422	11.9
119.04800	1.6
121.02876	0.3
125.02369	4.8
127.03931	1.9
131.03430	10.6
132.03818	0.5
133.02910	0.3
133.05051	0.5
134.03610	0.3
135.04486	0.6
137.02390	0.6
139.03928	0.3
141.09155	0.3
143.03447	12.7
144.03760	0.4
145.05006	7.1
149.02390	0.5
149.04521	0.6
151.00313	2.2
152.01035	0.3
159.02898	0.4
161.02361	0.7
161.04532	1.0
163.06073	100.0
164.04262	0.3
164.06415	3.7
166.05025	0.3
175.00310	0.4
177.01836	0.5
179.05540	0.5
190.02679	0.2
191.03505	0.3
191.05565	0.3
193.05090	0.3
205.07170	21.6
206.07510	1.1
207.06648	0.2
208.15874	0.3
223.13367	0.3
235.08194	1.0
265.09335	8.8
266.09692	0.5
268.03812	1.5
269.04608	8.4
270.05032	0.8
271.06177	3.9
272.06592	0.5
282.05444	0.3
283.06189	0.5
287.05615	0.4
289.09387	0.6
293.04584	3.1
294.05212	0.3
295.10428	0.6
297.07922	0.2
307.10449	1.0
311.05557	0.6
311.10437	0.6
313.07034	0.2
323.05273	0.3
325.11417	1.8
337.07068	0.2
339.04858	0.3
341.06598	0.3
363.91086	0.3
396.09283	0.2
413.08820	1.5
414.09012	0.3
415.14355	0.4
433.11533	0.3
515.31012	0.2
559.14508	0.3
577.15417	5.6
577.29865	0.3
578.15790	1.2
579.17596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
57.03337	1.1
58.00479	3.7
59.01265	100.0
60.01604	1.0
61.98713	2.9
69.03345	1.5
69.36998	3.5
71.01271	32.3
72.99199	5.4
73.02836	29.3
74.03196	0.7
75.00745	1.1
75.84527	0.4
78.99170	0.4
81.03341	1.0
83.01267	2.6
83.04918	0.7
85.02842	13.9
85.99994	1.2
87.00776	10.4
87.04408	2.4
89.02338	31.4
90.02686	0.7
91.38023	0.4
93.03375	0.9
95.01299	0.6
96.95892	1.0
97.02872	0.9
99.00783	1.3
99.04428	1.0
101.02348	56.7
102.02701	1.7
103.03915	22.1
107.01313	0.5
109.02876	0.7
113.02364	3.8
115.03922	5.0
116.92751	1.6
117.03379	0.9
117.34293	0.5
119.03421	11.1
119.04871	2.3
121.02840	0.6
123.04497	0.6
125.02379	4.4
127.03966	2.1
131.03435	12.6
132.03712	0.5
133.02913	0.8
135.04413	0.7
137.02353	0.8
143.03436	9.0
145.05011	5.9
147.04482	0.7
149.02419	4.1
149.04498	10.0
151.00294	2.2
153.01895	0.7
161.02420	0.6
161.04562	1.1
162.03328	0.5
163.06078	89.5
164.04749	3.8
164.06424	2.8
166.05170	0.6
167.03424	1.3
169.47375	0.5
175.00418	0.7
175.03986	0.4
177.01862	0.8
179.05524	0.6
179.07076	0.6
187.11198	0.5
191.05602	2.9
205.07169	17.1
206.07472	1.2
223.06133	6.4
235.08290	1.5
236.53497	0.5
243.02815	0.8
258.05408	0.7
265.09354	7.6
268.03806	0.6
269.04626	12.0
270.05069	0.7
271.06158	5.3
272.06534	0.5
275.61835	0.5
283.06216	1.0
286.04611	0.6
293.04587	5.5
297.07745	0.6
301.07239	6.8
302.07391	0.7
307.10474	0.5
311.05667	1.6
311.09576	1.0
313.07245	0.6
315.08859	0.8
316.09579	4.5
317.09854	0.5
323.05737	0.8
325.11450	1.6
331.11990	12.7
332.12292	1.5
341.07111	0.8
353.06857	0.8
413.08899	3.2
415.14291	3.2
457.11099	1.2
517.15588	0.5
517.22308	2.9
518.23383	1.0
577.15497	7.9
578.15607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.8
63.96127	0.8
69.03332	0.3
71.00894	0.5
71.01276	6.8
71.14230	0.6
72.99175	0.4
73.02840	1.8
78.98481	6.3
79.95627	9.6
80.96411	70.5
81.03353	0.8
81.96336	0.3
83.01293	0.5
85.02850	2.7
87.00764	2.4
94.97987	16.7
95.01296	0.4
96.95930	1.3
97.02859	1.3
99.00796	0.7
99.04439	0.4
100.66542	0.3
101.02345	2.7
106.97990	3.1
113.02359	0.4
122.97501	4.4
125.02372	2.8
127.03955	0.8
134.97514	5.0
136.99080	1.6
146.97453	0.6
148.99083	6.1
149.00856	0.3
152.98581	6.7
164.98584	11.4
165.98824	0.3
167.00111	0.5
179.00070	0.3
182.99670	1.4
206.99709	3.1
225.00764	14.8
226.00995	0.8
243.01848	0.9
269.04523	0.6
277.21765	2.0
278.95264	0.4
299.04462	3.6
306.40176	0.3
398.48087	0.3
577.26996	100.0
578.27313	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	577.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37057	0.4
56.51194	0.4
59.01254	1.2
61.98714	70.1
62.98423	0.8
63.96122	1.2
63.99123	0.6
69.03349	0.6
71.01269	7.5
71.09052	0.5
71.29630	1.0
73.02450	0.3
73.02840	1.8
78.97279	0.4
78.98477	6.3
79.95193	0.5
79.95620	10.1
80.96407	69.0
81.03361	0.8
85.02847	2.6
87.00768	3.6
94.97977	14.7
95.03679	0.4
96.95926	1.3
97.02839	1.3
101.02348	2.7
106.97974	3.0
113.02331	0.5
122.97496	2.8
125.02379	3.3
127.03969	0.5
134.97502	5.6
136.99083	1.6
148.99072	6.3
152.98575	6.2
164.98575	11.9
165.99043	0.4
167.00081	0.6
200.02997	0.5
202.25610	0.5
206.99779	2.2
224.66360	0.4
225.00742	14.9
226.00999	0.7
273.81845	0.4
277.21765	2.3
277.57227	0.5
278.22089	1.8
279.22607	0.9
294.14917	0.5
299.04419	3.2
410.94168	0.4
577.26971	100.0
578.27228	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01265	13.8
61.98718	10.2
65.03859	0.5
71.01272	4.2
72.99208	1.1
73.02834	2.3
75.00762	0.5
83.01283	1.5
85.02837	2.3
87.00780	2.3
88.98681	1.3
89.02332	2.3
91.05423	2.9
91.05899	0.4
93.03365	0.9
95.01314	0.7
95.04941	0.5
96.95898	1.0
99.00798	1.2
99.04427	0.5
101.02368	3.9
107.01237	0.5
107.04906	0.4
108.02096	1.5
109.02863	17.4
111.00789	0.6
111.02155	0.4
113.02342	2.7
117.03365	1.1
119.03396	0.7
119.04939	1.6
121.02870	6.6
123.04441	0.7
125.02374	0.9
133.02898	1.7
134.03676	1.7
135.04446	41.6
136.01517	0.7
136.04807	1.7
137.02368	1.3
137.06027	0.7
137.60765	0.5
145.02901	0.5
147.04440	7.0
148.05188	1.6
149.02405	0.5
149.05974	0.8
151.00287	1.4
157.00668	0.5
159.04457	0.9
160.04001	0.5
161.04463	1.1
161.06013	0.9
163.07672	0.8
165.05493	0.6
171.10278	0.7
177.05544	0.5
185.58057	0.5
187.03990	0.5
197.48819	0.4
201.09309	0.6
207.10284	1.3
216.07796	0.6
223.06056	0.8
225.09198	1.4
227.07199	0.7
233.11826	4.9
240.04300	1.0
251.07489	0.6
253.09145	0.9
254.05847	0.9
255.06630	1.6
268.03824	5.5
269.04608	23.2
269.08212	7.0
270.04922	2.3
270.08820	2.6
271.06143	0.8
283.09933	0.6
285.11374	3.0
337.14600	1.0
341.23315	1.7
355.15585	100.0
356.15921	11.2
448.34106	0.7
497.25839	2.0
504.62549	0.6
504.70383	0.6
517.21283	1.1
517.31488	0.5
533.30304	0.9
577.15515	13.0
577.31458	3.1
578.16077	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75853	1.8
57.03335	2.3
59.01264	32.4
61.98717	48.1
69.28332	13.0
69.28744	4.2
71.01266	9.1
73.02841	3.0
75.00745	2.5
83.01308	2.5
83.04924	4.8
85.02845	5.5
87.00746	3.4
87.21642	1.7
88.98711	1.7
89.02326	3.4
91.05419	5.0
92.05755	2.1
93.03357	7.1
96.95885	2.1
98.19839	3.6
99.00777	2.0
101.02339	6.1
103.00344	2.1
107.01317	2.4
109.02866	29.4
113.02347	3.5
117.03377	2.3
119.05020	2.1
121.02080	2.0
121.02837	10.4
125.02365	4.7
135.04454	61.7
136.04790	2.7
137.02397	2.5
147.04446	7.4
151.00298	2.4
153.01692	2.0
161.02380	3.4
161.04388	1.9
207.10281	2.9
213.05565	3.6
218.09428	3.5
233.11963	10.7
260.64948	1.9
268.03827	8.3
268.85956	2.2
269.04608	40.5
269.07782	4.2
270.04944	4.3
271.06149	3.4
284.03448	2.5
293.04553	9.9
311.05746	2.1
355.15591	100.0
356.15988	12.3
368.11942	1.9
369.12399	4.1
370.12656	3.5
381.12582	2.0
383.14316	2.3
397.12079	5.9
398.12180	5.1
399.12573	5.5
411.13745	4.5
412.14066	4.4
413.08783	5.3
413.14243	5.6
461.16129	2.1
517.20917	17.7
518.21313	4.3
577.22375	54.3
577.35938	4.0
577.78485	2.2
578.21265	2.3
578.28900	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	577.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17544	0.5
57.03331	1.4
59.01262	17.3
60.01590	0.6
61.98716	7.7
65.00196	0.5
65.03841	1.2
67.01762	0.7
67.70247	0.5
69.03337	0.6
71.01268	6.2
71.51584	0.6
71.51921	0.6
72.99192	1.8
73.02835	1.9
75.00764	1.1
75.56902	0.4
83.01263	1.0
83.04896	0.4
85.02843	3.7
87.00778	1.5
89.02345	2.6
91.05419	3.9
93.03338	1.5
95.01286	0.9
96.95927	0.7
97.02838	0.6
97.70785	0.5
99.00771	1.5
101.02357	4.2
107.04930	0.6
108.02065	5.6
109.02859	25.6
110.03190	0.6
111.00784	0.7
113.02350	3.2
117.03371	0.8
117.05442	0.4
119.03419	0.5
119.04935	1.3
121.02860	9.5
123.04436	0.8
124.54251	0.4
124.61227	0.4
125.02379	2.9
129.27754	0.4
131.07065	1.1
133.02864	1.8
134.03627	1.4
135.04443	43.6
136.04782	1.4
137.02353	0.7
145.02919	0.7
147.04446	6.6
148.05229	0.7
149.02380	0.5
149.06065	0.8
151.00317	0.9
151.03976	0.9
152.01067	7.8
153.01834	0.9
154.57233	0.4
159.04439	1.6
160.05214	0.5
161.02412	1.1
161.04526	0.7
161.05992	1.3
163.03946	1.1
166.51454	0.4
171.10185	1.1
173.05981	0.6
174.03053	0.6
175.00354	0.7
175.07623	0.8
177.01881	0.9
179.03424	0.9
183.08383	0.4
187.07622	1.2
188.08412	2.5
189.09088	0.4
190.02698	0.9
193.05090	1.3
193.08650	1.0
197.05952	0.4
199.07657	0.4
201.09138	1.2
207.10190	2.6
213.09340	0.8
223.06169	0.5
225.05566	0.6
225.14923	0.5
227.07152	0.5
233.11827	5.0
253.04990	0.6
253.09308	1.0
255.06660	0.7
268.03854	3.0
269.01639	0.7
269.04596	14.0
269.07727	0.6
270.04904	1.0
270.09079	0.6
271.06143	0.6
281.04388	0.5
281.08170	1.5
283.06061	0.7
283.09775	0.8
285.04028	0.5
293.04565	2.9
295.09839	1.3
297.11298	0.5
309.04117	1.2
309.11392	0.7
311.05630	0.5
315.12448	9.9
322.11990	0.7
323.12888	1.7
337.14429	2.9
340.13205	0.7
341.23312	4.3
355.15561	100.0
356.15894	11.2
373.16702	1.0
413.08875	1.3
429.10132	1.5
447.11728	2.2
473.31140	0.6
497.25977	1.0
515.18695	0.4
516.32507	0.8
517.30719	0.5
533.28912	0.6
577.15631	8.2
577.32599	6.6
578.16345	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	577.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.4
61.98714	2.6
65.03851	0.9
71.01272	0.9
71.27480	0.4
72.99191	0.3
73.02832	0.3
75.00792	0.6
78.95793	0.3
87.00777	0.4
91.05441	4.1
93.03360	1.1
98.18801	0.2
101.02346	0.3
103.00269	0.6
108.02089	0.4
109.02861	11.5
110.58690	0.2
113.02375	0.3
117.03345	0.3
121.02877	5.3
123.04408	0.4
125.02336	0.3
133.02890	0.3
134.03632	0.4
135.04448	44.7
136.04799	1.6
137.02336	0.4
139.31316	0.2
147.04420	1.0
149.02417	0.4
149.05984	0.4
151.00259	0.3
151.03935	1.8
152.04669	0.2
161.02370	0.4
163.03944	3.5
169.01349	0.3
173.06148	0.2
175.03937	1.7
175.07584	0.2
177.09105	0.3
187.07597	0.4
188.04657	0.4
189.05540	0.9
190.06122	0.3
191.07123	1.4
192.07863	0.8
199.03973	0.2
203.07094	2.0
204.07903	6.5
205.08665	3.6
206.09468	6.3
207.10149	1.3
217.08733	1.2
218.09473	8.5
219.10046	0.9
220.07372	0.9
221.08121	0.4
230.09521	1.2
231.10295	3.5
233.11841	7.3
234.12271	0.8
235.60696	0.3
245.12100	0.4
254.05812	0.5
268.03763	1.0
269.04608	3.2
270.05118	0.3
270.12625	0.3
271.06174	1.4
279.06674	0.5
281.12152	0.2
293.04654	0.5
297.07733	2.0
322.12082	0.5
323.13049	1.7
325.11072	1.0
339.08829	0.3
339.12585	0.7
340.13223	9.0
341.13629	1.0
355.15576	100.0
356.15903	11.8
517.20782	0.9
517.34033	0.3
577.15448	1.9
578.15845	0.4
578.28644	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	577.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46547	0.9
58.60399	0.7
59.01275	3.5
60.35604	0.8
61.64200	0.8
61.98721	4.8
65.03850	3.7
65.70982	0.7
71.55380	0.8
75.03864	0.8
89.02273	1.2
91.05435	10.6
93.03361	20.9
97.02913	1.4
108.02078	12.6
109.02859	27.1
119.04951	7.2
121.02868	25.2
123.04444	16.1
133.02893	2.1
133.06517	1.6
134.03639	4.9
134.81064	1.0
135.04448	65.8
136.04819	3.2
147.04460	8.1
147.08073	5.7
149.06001	4.5
155.08751	0.8
159.04549	1.6
159.08147	1.0
161.06036	1.8
169.10315	1.3
171.04480	1.7
172.05307	1.7
173.05927	4.2
174.06836	1.6
175.07626	2.5
181.10210	1.2
183.08209	1.7
185.06091	1.7
187.07613	5.9
189.05565	1.2
189.09203	15.4
190.09489	1.5
197.06169	1.1
198.06772	1.3
199.07597	8.7
201.09192	10.6
202.09537	1.5
209.06184	1.1
210.06909	5.6
211.07680	8.6
212.08266	1.4
213.09219	7.4
223.07674	1.8
225.09242	15.2
226.09671	0.9
228.04405	0.9
237.05661	6.0
237.09187	4.6
238.06316	9.4
238.10103	1.1
239.07106	1.1
247.11197	0.9
253.08739	40.2
254.09142	2.7
257.08218	8.6
268.03876	3.8
269.04590	13.7
270.04929	1.0
271.70422	0.9
273.12970	1.2
289.08679	1.3
291.10367	2.3
293.04663	2.3
293.11960	1.6
303.10345	4.0
304.11166	1.5
305.11823	9.3
306.12466	1.3
307.13574	1.6
317.11780	6.7
319.13452	9.5
321.11432	2.9
323.12943	23.7
324.13577	1.6
329.11649	2.0
331.09949	1.4
331.13449	6.6
333.11526	2.1
335.13040	1.6
343.13705	1.4
347.12958	25.4
348.13443	2.6
349.14667	2.7
357.20761	0.9
413.08813	1.6
439.15552	5.8
441.17151	100.0
442.17474	15.2
453.17221	12.2
454.17639	2.6
455.19095	1.7
456.84326	1.2
469.16623	4.2
471.18213	44.2
472.18549	6.0
483.18781	1.4
577.15808	4.1
577.22717	44.3
578.16296	1.2
578.23090	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
57.03329	0.4
57.21255	0.2
59.01263	2.5
61.98706	0.7
70.91600	0.4
71.01270	3.4
72.99187	0.4
73.02828	1.6
75.00770	0.2
83.01276	0.9
85.02842	1.9
87.00773	1.3
89.02351	0.6
89.03857	1.1
95.01298	0.3
99.00782	0.7
101.02350	2.8
106.04185	0.4
109.02839	0.2
113.02359	2.1
114.54459	0.2
117.03376	5.4
118.03668	0.2
119.04929	0.2
121.02824	0.2
125.02341	0.4
132.02098	1.9
134.03661	74.5
135.03960	2.7
137.02383	0.6
149.02277	0.3
149.06017	7.3
150.06360	0.3
151.00258	0.3
156.86824	0.2
159.02972	0.3
160.01607	7.7
161.01988	0.3
161.04489	1.2
164.61868	0.2
175.03960	10.9
176.04312	0.6
178.02658	1.5
193.05029	100.0
194.05374	5.3
262.85022	0.2
267.03113	0.2
268.03802	3.3
269.04529	1.5
269.10437	0.9
271.06110	0.2
283.03052	0.4
283.06155	6.4
284.06580	0.7
311.05280	0.2
383.13480	1.5
401.14560	1.4
461.14539	0.4
482.41391	0.2
577.19708	4.9
577.32147	0.5
578.19641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26934	0.4
55.01772	0.5
56.86987	0.4
56.99202	0.4
57.03339	1.8
58.00462	0.8
58.78345	0.4
59.01264	66.2
60.01595	0.7
61.98722	4.1
64.35528	0.4
65.00214	1.1
65.27016	0.3
67.01791	0.5
69.03335	0.6
69.18080	4.7
71.01270	15.1
72.99206	2.8
73.02835	7.4
75.00764	1.5
81.03349	0.7
82.24168	0.4
83.01271	2.4
85.02836	6.3
87.00778	2.3
87.04426	1.2
89.02337	6.7
93.03398	2.1
95.01308	1.2
96.95905	0.9
97.02850	0.6
98.19846	0.9
99.00786	1.8
99.04415	0.7
101.02339	14.0
103.03915	4.5
104.15748	0.4
107.01299	1.8
108.02086	1.4
109.02877	4.9
111.00802	0.6
113.02373	4.5
115.03938	1.1
117.03372	2.9
119.03503	2.3
119.04939	8.2
121.02870	69.2
122.03181	2.0
123.04419	0.9
123.74120	0.4
125.02370	3.7
126.02710	0.5
127.03890	0.7
131.03464	1.6
132.02187	0.5
133.02881	8.9
134.03665	0.7
135.04453	5.4
137.02399	1.1
137.06041	0.7
143.03450	2.5
145.02893	2.4
145.05019	1.5
147.04425	2.5
149.02354	0.9
149.06000	0.6
151.00316	5.3
151.03987	0.6
152.01103	0.9
153.01840	0.9
157.02899	0.6
157.08600	2.0
159.02921	0.6
159.04414	0.6
161.02405	9.6
161.04488	3.7
163.04004	3.4
163.06068	18.2
165.01880	0.7
165.05611	0.5
173.02397	1.4
174.03171	0.9
175.00374	2.4
175.03961	7.0
177.01892	1.3
177.05515	0.5
179.03452	1.7
185.02379	0.6
187.04051	0.7
190.02702	0.9
193.05095	0.6
203.07132	0.7
205.05089	1.4
205.07184	3.5
211.07614	0.5
213.05521	0.6
215.07188	1.2
227.07060	1.1
233.08269	1.3
235.09758	1.0
239.07278	0.6
241.05058	0.4
241.14575	0.5
253.04990	0.9
254.05815	0.5
255.06760	1.0
265.09387	1.4
267.06717	1.4
268.03860	3.9
269.04584	15.9
270.04990	2.1
271.06189	8.3
272.06516	0.7
279.06659	6.5
281.04602	1.0
283.06186	13.9
284.06671	1.2
287.05652	1.2
293.04636	16.3
294.05182	3.7
295.06219	1.0
297.07651	2.8
305.08807	1.4
307.10468	0.5
311.05667	6.9
312.06186	1.0
319.09799	0.8
323.05597	0.8
327.21832	1.6
337.10815	2.8
338.11319	0.5
341.06754	1.8
355.11938	100.0
356.12244	9.9
373.16693	1.4
383.13123	0.6
401.14630	0.5
413.08871	8.9
414.09415	1.3
415.16180	0.7
415.23361	1.9
431.09949	11.0
432.10422	1.2
517.17181	1.6
517.30359	1.3
559.31171	0.7
577.16705	10.5
577.30292	5.4
578.16461	1.8
579.17072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.5
63.02277	1.0
65.00189	0.7
69.22948	0.8
71.01286	0.2
73.02856	0.2
73.13537	0.1
75.24865	0.1
81.32897	0.1
83.01295	0.2
85.02834	0.1
89.00236	0.1
89.02367	0.1
91.01782	0.5
93.03371	0.2
101.02371	0.1
107.01292	1.2
109.02851	0.1
117.03394	0.4
119.04959	0.1
123.04427	0.2
131.03430	0.1
131.04956	0.1
132.02126	0.3
133.02879	3.0
134.03271	0.1
135.00809	0.4
135.04442	0.7
143.04837	0.1
145.02872	0.1
149.02368	0.1
151.00308	0.3
153.01909	0.1
154.04210	0.1
155.04956	0.2
156.05692	0.1
157.02881	0.4
157.06467	0.2
158.03583	0.1
159.04468	1.3
160.04729	0.1
161.02353	0.4
163.03940	0.1
167.03535	0.1
167.04988	0.1
169.06569	0.7
171.04510	0.3
173.05989	0.2
175.00288	0.1
180.05772	0.7
181.06552	1.8
182.03688	0.1
182.06909	0.1
183.04504	1.1
195.04424	0.1
196.05237	0.7
197.06081	0.8
197.09619	0.1
199.03949	0.5
201.05557	1.4
203.03398	0.1
213.05554	0.4
223.04045	0.2
224.04796	1.2
225.05569	1.3
226.05908	0.2
227.03525	0.5
237.05623	0.1
240.04285	0.3
241.05222	0.5
253.05058	0.2
268.03900	0.4
269.04602	100.0
270.04941	8.1
270.07944	0.1
281.04568	0.1
281.53232	0.1
282.05383	0.2
283.06116	0.3
293.04575	0.7
294.05157	0.1
295.06284	0.2
296.06955	0.1
297.07706	0.8
307.05978	0.1
307.49084	0.1
311.05655	0.4
323.05713	0.3
325.07150	0.4
353.06747	1.5
354.07080	0.2
365.06769	0.2
383.07709	0.8
384.08209	0.1
413.08823	0.3
457.11884	0.4
459.21365	0.1
487.12372	0.2
549.35681	0.1
577.15662	3.4
578.16046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	23.8
57.47689	0.3
59.01265	4.1
61.98708	0.8
65.00190	0.3
66.63689	0.3
69.27739	3.2
71.01268	1.8
73.02831	0.5
81.03360	0.3
83.01262	0.9
85.02841	0.9
87.00768	0.3
87.04396	0.4
88.98690	2.1
89.02345	0.7
93.03356	0.9
94.52068	0.3
95.01303	0.3
97.02846	2.3
99.00794	0.7
99.04416	10.3
101.02341	8.6
107.01253	0.4
108.62921	0.3
111.00837	0.3
113.02350	1.2
117.03377	20.6
118.03667	0.7
118.49926	0.3
119.04942	23.6
120.05272	1.0
121.02894	0.4
125.02365	14.2
126.02734	0.3
131.03395	0.4
143.03429	0.6
143.04942	0.7
145.02887	100.0
146.03235	5.0
151.00311	1.5
159.04349	0.4
161.04509	0.7
163.03952	23.6
163.06123	1.0
164.04288	1.2
166.08960	0.3
171.94333	0.3
187.03935	1.7
203.05534	0.4
205.07018	0.4
227.07259	0.3
243.08810	0.4
268.03760	1.7
269.04605	7.6
270.04907	0.7
271.06201	3.7
272.06500	0.4
287.07901	0.3
307.08276	3.6
329.08826	0.7
349.09323	4.0
369.11816	0.5
389.12582	1.3
431.12088	5.3
432.12170	0.8
433.11475	21.7
434.11841	2.6
475.12543	28.0
476.12903	3.6
515.15735	13.0
516.16119	2.1
577.15558	5.4
577.28760	0.5
578.15961	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	577.1574
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
59.01259	0.9
63.02279	2.3
65.00201	1.2
71.01261	0.2
73.02857	0.2
83.01273	0.6
93.03358	0.6
101.02372	0.2
103.03912	0.2
107.01296	2.9
117.03362	4.1
118.03725	0.3
121.02863	0.2
135.04488	0.3
148.01566	0.2
149.02379	1.6
149.99524	0.3
151.00311	2.4
155.04965	0.1
159.04431	1.6
161.02367	1.0
163.06012	0.3
167.05006	0.2
169.01340	0.2
169.06546	0.6
171.04469	0.6
172.05225	0.4
180.05739	0.3
181.06592	0.8
183.04471	1.2
183.57098	0.1
184.05177	0.2
195.04454	0.5
196.05240	0.9
197.06102	0.9
199.03957	0.5
200.04712	0.4
201.05516	0.8
211.03998	1.0
212.04681	0.5
224.04802	0.5
225.05585	1.8
226.05838	0.3
227.03551	0.9
239.03496	2.1
240.04320	2.4
241.04797	0.3
267.03043	1.1
268.03812	29.9
269.04584	100.0
270.04944	9.0
293.04620	0.1
312.06018	0.2
387.16772	0.2
413.08725	0.5
431.09705	0.2
577.15710	37.0
578.16095	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	577.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00779	0.4
57.03316	0.3
58.00465	1.4
58.11325	0.3
59.01262	25.8
63.17884	0.3
70.33742	1.4
71.01263	5.3
72.99188	1.3
73.02837	2.0
75.00758	0.4
85.02834	4.2
87.22185	0.3
89.02355	1.9
93.03365	0.5
101.02338	2.5
103.03902	1.4
117.03368	9.1
119.03391	0.5
119.12373	0.4
121.02842	0.6
131.01297	2.2
133.02946	0.4
155.04961	0.4
159.04428	0.6
161.02368	1.8
163.00230	0.4
163.03973	1.0
173.02390	5.7
175.00322	11.9
175.03757	0.5
185.02443	0.4
193.06569	0.4
225.05611	0.4
237.05568	0.6
249.05449	0.7
253.05127	0.8
265.05057	1.0
266.27115	0.4
269.04639	5.4
275.85495	0.4
279.06769	0.4
281.04605	5.8
282.05386	3.3
283.06165	8.8
284.06567	1.4
293.04614	100.0
294.04968	9.1
295.06097	2.9
297.04282	0.6
306.05191	0.4
307.06174	0.7
309.03983	0.7
310.04727	0.6
311.05661	10.7
312.05972	0.9
314.04373	1.8
315.04419	0.4
321.04117	0.5
323.05695	5.8
324.06039	0.9
335.05548	1.9
341.06656	4.5
342.07010	0.5
353.06619	1.4
373.12323	0.4
377.06546	0.4
413.08832	48.3
414.09161	5.1
457.11472	4.4
458.11496	0.6
473.21521	0.4
541.55298	0.4
577.15729	72.2
578.16046	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	577.1579
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
54.35015	0.1
57.03325	0.3
59.00956	0.2
59.01262	2.9
61.98715	2.2
65.00224	0.2
69.03348	0.1
69.75762	0.6
71.01266	1.4
72.99189	0.3
73.02832	0.4
75.00753	0.1
83.01297	0.3
85.02861	0.5
87.00816	0.2
87.04382	0.1
89.02335	0.9
91.01773	0.1
93.03367	0.2
95.01268	0.1
99.00776	0.2
101.02341	0.9
107.01292	0.2
109.02866	0.4
113.02364	0.4
119.03448	0.2
119.04904	0.2
121.06493	0.2
123.00774	0.1
123.04468	0.2
125.02346	0.6
129.87842	0.1
132.02087	1.4
134.03638	0.3
135.00841	0.6
135.04431	0.4
137.02338	0.3
149.02341	0.1
149.04523	0.1
151.00269	0.3
152.01132	0.1
153.01892	0.4
161.02377	1.2
161.04463	0.1
163.06053	0.3
165.05527	0.5
175.03979	0.2
177.01921	0.2
183.04404	0.1
184.05139	0.1
192.45973	0.1
193.05003	0.2
195.04518	0.4
196.05261	0.4
203.07266	0.1
211.03990	1.5
212.04794	0.7
213.05263	0.1
217.08687	0.2
223.03986	1.2
224.04750	1.6
224.06953	0.2
225.05127	0.2
226.02721	0.9
235.09804	0.8
239.03505	4.0
240.04256	2.1
241.04791	0.1
255.06735	0.1
267.03021	5.7
268.03809	52.9
269.04260	5.6
283.06165	100.0
284.06506	9.1
293.04599	0.2
296.43765	0.1
311.05963	0.2
326.06604	0.2
343.07385	0.1
355.11844	1.0
397.12991	0.3
413.08371	0.2
414.12543	0.2
415.16431	0.5
431.10001	0.2
516.32874	0.1
572.80078	0.1
577.18665	3.6
577.32306	1.5
578.18878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	8.8
59.01266	100.0
60.01582	7.0
61.98721	37.7
63.68958	2.9
64.67458	3.3
66.21569	3.2
69.03327	4.2
70.50137	3.1
71.01266	39.5
71.56314	5.0
72.99198	21.7
73.02842	34.5
75.00764	7.1
78.95773	5.6
85.02845	14.0
87.00735	5.4
89.02349	5.9
95.01246	4.3
96.95911	4.3
98.29781	3.3
99.00756	6.8
101.02319	15.3
103.00309	5.2
109.02847	7.4
113.02367	15.9
115.00248	5.2
121.02871	4.5
122.03678	4.4
125.02351	6.1
135.04445	10.4
137.02310	4.1
149.06004	3.6
151.00279	6.6
161.02419	3.9
161.04517	9.0
175.00304	4.5
177.01875	5.7
183.13861	11.5
190.02713	8.0
200.04709	3.3
205.04948	3.2
207.10275	3.1
218.09450	3.4
227.12875	7.2
229.05331	3.3
235.11874	4.0
268.03821	9.8
269.04590	46.5
271.06180	7.2
293.04590	10.8
348.10229	3.8
355.15506	13.0
367.16086	12.9
378.10950	6.4
379.12051	36.3
380.12259	7.8
446.73685	3.9
482.25406	6.2
516.32617	14.9
517.32916	4.3
519.27246	34.9
519.77197	15.1
534.33691	9.7
535.33820	5.2
541.17303	32.5
542.17285	4.9
576.34955	5.6
577.14886	27.9
577.36426	4.4
578.16467	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	577.121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93151	0.2
51.10917	0.2
52.39310	0.2
55.01761	0.3
57.03344	1.1
57.03565	0.2
59.01262	9.9
59.70858	0.2
60.01565	0.2
61.98716	5.4
63.02271	1.3
63.31144	0.2
65.00191	1.1
68.99699	0.3
69.03342	0.3
70.81034	0.3
70.81363	0.3
71.01266	5.4
72.99195	49.4
73.02834	2.9
73.99535	0.5
75.00760	0.9
75.07060	0.2
81.03337	0.3
83.01270	1.0
83.04913	0.3
85.02843	2.6
87.00764	1.3
87.04414	0.7
88.98708	0.3
89.02335	10.2
93.03380	1.2
95.01276	0.5
96.95933	0.5
97.02860	0.5
99.00788	0.9
99.04419	0.4
101.02345	5.3
103.03908	1.3
105.03354	0.3
107.01293	2.2
108.02072	0.7
109.02853	0.6
111.04430	0.2
113.02354	2.3
114.02720	0.2
115.00285	0.7
115.03967	0.3
117.01849	3.9
117.03352	5.2
118.02895	0.5
119.01361	0.2
119.03412	1.4
119.04933	0.9
121.02854	0.6
123.00784	0.4
123.04463	0.5
125.02374	2.2
127.03898	0.3
131.03418	0.9
133.02882	0.6
134.03714	0.3
135.04454	1.3
137.02377	0.8
143.03445	1.0
145.01361	33.8
146.02586	1.3
149.02370	2.4
149.04439	0.5
149.05983	0.5
151.00310	3.8
151.03967	0.4
152.01036	0.5
153.01764	0.2
155.05063	0.2
157.06560	0.3
159.03244	0.3
159.04419	1.4
161.02368	1.1
161.04561	0.7
163.03993	0.4
163.06064	7.0
164.04689	0.3
165.48808	0.2
167.03458	0.4
169.06520	0.5
171.04486	0.4
173.06021	0.3
175.00327	1.1
175.02600	0.3
175.03938	1.3
177.01863	0.4
177.05652	0.2
179.03470	0.2
181.06569	0.6
183.04524	0.8
187.02458	1.2
190.02710	1.4
190.06332	0.8
191.03387	0.2
193.05005	0.4
195.04482	0.2
197.06027	0.7
199.03960	0.3
201.05522	0.7
203.03484	0.3
205.05028	1.1
205.07129	1.1
205.08777	0.4
207.02983	0.3
223.06042	0.4
224.04761	0.5
225.05530	1.8
227.03545	0.6
227.07033	0.2
237.07697	0.2
239.03496	0.3
240.04300	0.8
241.04883	0.3
249.07785	0.2
253.05119	0.3
255.03133	0.3
255.06538	0.2
265.09351	0.7
267.03061	0.4
268.01535	0.2
268.03812	19.8
269.04590	100.0
270.04929	8.1
271.06219	2.2
271.09189	0.3
272.06604	0.2
282.05356	0.4
283.06207	1.1
285.04193	0.3
287.05478	0.3
293.04617	2.7
294.05005	0.3
297.07773	0.3
299.05569	0.4
307.06763	8.2
308.07318	0.5
311.05463	1.3
314.04196	0.2
323.05804	0.3
324.21561	0.2
327.21750	0.2
355.12024	0.6
373.13092	0.5
413.08615	1.4
414.12997	0.5
415.14001	2.6
416.14243	0.3
431.09894	22.9
432.10239	3.0
457.11856	0.4
517.27075	0.8
517.29633	0.8
576.31873	0.2
577.15820	16.0
577.27344	2.4
578.16003	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.3
57.03333	1.0
58.00463	0.3
59.01266	12.4
60.39251	0.2
61.98717	5.7
63.02276	1.6
65.00205	1.4
69.03342	0.5
70.51924	0.6
70.52297	0.6
71.01269	5.9
71.04877	0.3
72.99198	48.6
73.02827	3.1
73.99544	0.4
75.00787	0.6
76.86126	0.3
83.01312	1.2
83.01726	0.2
85.02842	3.2
86.00002	0.3
87.00790	1.3
89.02335	10.7
93.03355	1.0
95.01281	0.5
96.95905	0.7
97.02840	0.4
99.00784	0.9
99.04435	0.4
101.02344	6.3
103.03908	2.0
107.01307	2.6
108.02065	0.7
109.02861	0.9
111.00773	0.4
113.02353	2.9
114.01920	0.3
115.00301	0.5
115.03918	0.6
117.01863	4.6
117.03354	5.1
117.24033	0.3
119.03429	1.4
119.04967	0.9
121.02873	1.0
123.04415	0.5
125.02373	2.6
129.01860	0.3
131.03436	1.2
133.02893	0.8
134.03610	0.2
135.04462	1.2
137.02359	1.1
143.03456	1.3
145.01366	34.2
146.01543	0.4
146.02518	0.7
147.04425	0.3
148.01602	0.3
149.02370	2.7
149.04460	0.6
151.00308	3.6
151.03925	0.8
152.01033	0.5
153.01898	0.3
159.03091	0.5
159.04472	1.8
161.02417	1.5
161.04532	1.2
163.03973	0.5
163.06068	7.0
167.03423	0.6
169.06523	0.4
171.04454	0.3
175.00343	0.9
175.03984	1.5
177.01869	0.7
183.04523	0.8
187.02501	0.9
190.02629	1.5
190.06313	1.2
193.05013	0.3
196.05180	0.4
197.06064	0.4
199.03926	0.3
201.05530	0.8
203.03549	0.3
205.05035	1.8
205.07133	1.4
207.02888	0.3
207.13850	0.3
223.06197	0.3
224.04913	0.6
225.05577	2.0
227.03519	0.9
237.07687	0.5
239.03566	0.5
240.04346	1.0
242.70572	0.3
253.05219	0.3
253.08446	0.3
265.09415	0.4
268.03827	20.7
269.04599	100.0
270.04959	7.5
271.06149	1.8
271.09760	0.3
272.06723	0.3
281.04776	0.4
282.05246	0.4
283.06161	1.3
285.03992	0.5
293.04605	2.8
299.05518	0.4
301.10965	0.3
307.06772	7.7
307.10315	0.5
308.07358	0.3
311.05777	1.5
323.05490	0.4
335.05646	0.3
341.06818	0.4
353.06522	0.3
355.11932	0.5
358.43887	0.3
359.12506	0.3
373.26004	0.4
413.08490	1.4
414.12976	0.5
415.09793	0.3
415.14020	2.8
416.14450	0.4
431.09909	23.8
432.10281	3.6
457.11053	0.5
491.08829	0.3
517.26953	0.8
517.30951	0.5
520.24121	0.3
577.15741	14.6
577.27161	1.9
577.32269	0.8
578.16180	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64872	0.3
51.15322	0.3
52.32389	0.4
59.01261	31.9
61.98722	2.0
64.87830	0.4
69.21682	3.7
69.49859	0.3
71.01249	1.4
78.95789	28.3
79.95618	1.0
80.96405	6.8
94.97977	1.7
96.96865	0.5
101.02310	0.4
104.59556	0.4
106.97980	0.4
117.03362	0.5
122.97475	0.6
122.98399	0.8
125.02341	0.5
126.16782	0.4
134.97525	0.6
148.99089	0.8
152.98514	0.6
152.99539	4.5
163.26392	0.4
164.98572	1.2
168.04230	4.3
169.04994	0.4
224.06917	10.8
225.00789	1.6
225.07372	0.7
242.08032	2.9
243.01862	0.5
248.67706	0.4
259.20740	1.0
268.03769	0.9
269.04578	3.1
275.20261	0.8
277.21765	100.0
278.22101	9.9
293.04657	4.1
375.96133	0.4
413.08774	0.9
502.29498	90.5
503.29782	13.2
577.15826	2.0
577.26923	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	576.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.98716	100.0
62.98421	0.2
70.09491	0.2
70.09845	0.3
71.01273	0.2
78.95813	0.3
79.95621	0.2
80.96415	0.3
108.23566	0.1
125.02381	0.1
234.93126	0.1
253.09311	0.2
255.09862	0.2
268.03781	0.1
269.04572	0.5
277.21826	1.1
278.22168	1.5
279.22571	0.6
280.22809	0.5
293.04947	0.1
327.22839	0.1
346.72205	0.1
386.79816	0.1
427.79559	0.1
576.32538	0.1
577.16125	0.3
577.27087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	23.1
60.01612	0.2
61.98706	0.2
62.84878	0.1
69.73309	0.1
70.90425	0.3
71.01260	0.2
77.83885	0.1
78.82532	0.1
78.95792	7.0
79.97276	0.1
81.83495	0.2
82.16671	0.1
83.04904	0.2
108.05109	0.1
117.02930	0.1
152.99503	1.5
168.04251	1.8
205.19728	0.2
224.06976	1.3
233.22775	0.4
242.07997	3.0
259.20724	0.6
269.04630	0.4
272.72449	0.2
275.20163	0.3
277.21771	100.0
278.22128	9.4
380.12640	0.1
502.29514	41.7
503.29846	6.0
577.15784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.0
61.98718	100.0
63.96132	0.2
69.89214	1.1
71.01280	2.0
73.02850	0.2
73.37231	0.2
78.98476	1.3
79.95623	2.1
80.96410	14.6
85.02855	0.8
87.00768	0.6
89.02389	0.2
94.97991	3.3
96.47399	0.2
97.02853	0.3
101.02366	0.7
101.55820	0.2
106.97993	0.9
110.08366	0.2
122.97477	0.4
123.68936	0.3
125.02363	0.9
134.97482	1.1
136.99083	0.2
148.99083	1.2
152.98592	1.4
164.98621	2.5
206.99695	0.5
225.00775	3.5
253.09380	0.3
277.21808	1.7
278.22116	2.4
279.22467	1.6
280.22714	0.7
299.04459	0.4
397.04547	0.2
492.42401	0.2
577.27002	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	575.345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19312	0.3
54.39201	0.2
55.01774	0.3
59.01265	17.1
61.35443	0.2
61.98710	0.2
69.36936	2.1
70.48405	0.2
71.01273	3.5
72.99178	0.3
73.02831	1.2
76.86559	0.3
78.95776	0.4
83.01288	0.5
85.02844	0.8
87.00766	0.5
89.02345	2.6
90.33805	0.2
95.01302	0.3
101.02352	2.8
113.02357	1.4
119.03423	0.8
133.05026	0.2
143.03456	0.3
152.77370	0.2
161.04524	1.3
179.05624	0.5
207.30412	0.2
235.08229	1.5
250.23116	0.2
253.09319	13.8
254.09642	0.6
261.22128	0.3
279.23343	100.0
280.23709	9.9
368.55341	0.2
526.65338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61450	0.3
55.05885	0.3
59.01265	12.5
61.45356	0.3
61.98712	0.8
71.01264	2.8
71.52412	0.6
73.02826	0.5
78.28539	0.4
85.02834	1.1
87.68578	0.4
89.02335	2.8
91.68105	0.4
96.95873	0.6
101.02346	3.0
101.34413	0.4
102.87935	0.3
108.02077	8.0
109.02862	3.2
113.02331	1.2
119.03400	0.7
119.42931	0.4
130.67354	0.4
144.99376	0.4
152.01082	5.3
153.01813	1.3
161.04514	1.1
209.11795	0.5
235.08237	1.4
253.09317	14.6
254.09691	0.8
279.23346	100.0
280.23676	9.3
483.93494	0.5
486.88715	0.4
575.28760	7.9
576.29218	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	575.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50479	0.3
55.69629	0.3
56.33874	0.3
57.03349	0.9
58.00480	2.8
59.01264	76.3
60.01604	1.0
61.98719	0.9
68.20059	0.3
69.03337	1.2
69.52825	0.8
69.53239	1.3
71.01270	23.7
72.99195	4.2
73.02834	25.8
73.96891	0.3
75.00758	1.1
79.95618	0.3
80.96380	0.3
81.03352	0.6
83.01269	1.9
85.02842	12.6
85.99987	1.1
86.03198	0.3
87.00771	8.0
87.04406	2.4
89.02338	22.9
90.02703	0.3
94.97906	0.3
96.95945	0.5
97.02853	1.0
99.00783	0.9
99.04424	1.0
101.02348	53.2
102.02711	1.0
103.03915	23.3
104.04263	0.5
109.02863	0.7
110.46639	0.4
113.02351	2.9
115.03922	5.2
117.03407	0.6
119.03419	10.9
119.04785	0.4
124.83415	0.4
125.02383	3.5
127.03936	2.0
131.03430	7.8
132.03838	0.4
133.05008	0.6
135.02922	1.1
135.04437	0.5
137.09613	0.4
143.03435	9.8
144.62926	0.3
145.05013	7.8
149.02351	0.4
151.00331	0.8
161.02423	0.7
161.04491	1.0
163.06071	100.0
164.06416	2.7
176.82648	0.3
179.05597	0.3
181.06831	0.3
192.27759	0.3
205.07153	18.6
206.07527	0.9
210.88219	0.3
211.07924	0.3
235.08267	1.1
265.09354	7.0
269.04535	1.5
270.04858	0.4
271.06149	0.7
283.06033	0.4
287.05536	0.3
289.09259	0.5
295.06485	0.3
295.10193	0.5
297.07544	0.7
307.10400	1.2
311.05630	0.6
325.07745	0.4
325.11417	1.4
341.06796	0.4
351.05185	0.5
353.06699	0.8
365.06683	0.5
367.08197	0.8
383.07806	0.5
411.10733	0.3
413.12436	0.7
431.09750	0.4
455.09653	0.9
464.28632	0.4
471.15347	0.6
473.10785	0.6
487.94031	0.3
489.10349	0.4
539.34424	0.6
557.12634	0.6
575.13525	4.2
575.30157	1.2
576.16119	0.9
580.36798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1786
Annotation	5'-demethoxy-6-methoxypodophyllotoxin 7-glucoside
Peak:m/z	Relative Intensity
57.03327	0.9
59.01264	7.7
61.98718	2.6
65.00185	0.3
68.62442	0.2
69.03325	0.4
70.54379	1.0
71.01266	4.5
71.84254	0.3
72.99194	0.4
73.02840	1.5
73.65950	0.3
75.00767	0.6
78.98853	0.3
79.01776	0.4
83.01260	1.5
83.04903	0.3
85.02839	2.3
87.00770	0.9
89.02322	2.2
93.03381	0.8
95.04891	0.3
97.14309	0.3
99.00782	0.8
99.04419	0.4
101.02349	3.4
105.03334	0.4
107.01308	0.5
108.02085	2.2
109.02860	1.8
111.04433	0.4
113.02342	1.7
115.00236	0.4
115.03947	0.4
115.92055	0.3
116.92769	1.0
117.03403	0.3
119.03414	0.7
119.04937	1.1
121.02885	1.3
122.03642	0.6
123.00782	0.3
123.04439	0.8
124.01534	0.3
125.02354	2.7
125.06033	0.3
129.01851	0.3
133.02878	2.0
134.03641	0.5
135.02904	0.6
135.04465	1.7
137.02354	0.7
141.05457	0.4
143.03479	0.4
145.02879	0.5
147.00775	0.4
147.04446	0.5
148.01610	0.9
149.02399	4.0
149.04436	0.6
149.06029	0.7
150.03166	2.9
151.00266	0.9
151.03929	1.3
152.01089	2.6
153.01840	1.1
161.02423	1.6
161.04453	1.0
162.03149	0.6
163.03963	1.3
165.05533	0.4
173.02362	0.3
174.03223	0.3
175.03947	0.9
176.01071	0.4
177.01910	3.0
178.02652	1.5
179.03416	0.7
179.05544	0.6
185.06013	0.6
187.04007	0.4
187.07588	0.4
187.09306	0.3
188.04738	0.3
189.01889	0.6
190.02599	0.8
191.03471	0.8
200.00990	0.3
201.01837	0.8
201.05417	0.3
203.03569	0.4
205.04999	0.4
205.08743	0.5
207.02957	2.0
211.09952	0.3
212.04739	0.7
213.05467	0.5
217.08627	0.5
218.09264	0.3
225.05629	0.3
227.07111	0.5
231.06674	0.9
239.07138	0.9
241.05083	0.5
242.05832	0.9
243.06648	0.3
251.09363	0.5
253.05121	0.8
255.06589	0.6
261.07687	0.5
266.05545	0.3
267.06741	1.1
268.03793	1.1
268.07349	0.5
269.04620	6.3
269.07874	0.5
270.05005	0.6
271.06204	1.1
281.04657	0.9
283.06152	6.0
284.03284	1.4
284.06622	0.8
285.04099	3.7
286.04538	0.3
287.05847	0.4
293.04550	0.8
294.05313	0.5
295.06137	2.8
296.06815	0.7
297.07455	0.5
298.08096	0.3
299.05539	0.5
299.09238	0.5
305.08688	0.4
307.06525	0.4
309.04108	0.4
310.04791	0.4
311.05649	8.1
312.06342	3.6
313.07108	1.7
315.07239	0.5
323.05615	1.7
323.09094	0.6
324.06406	1.9
325.07220	1.0
326.07471	0.3
333.55441	0.3
335.05719	1.0
335.09171	0.5
337.07025	0.3
339.04956	0.3
339.08609	1.1
339.12311	0.4
341.06702	3.5
342.07458	5.4
343.08252	1.8
351.08691	3.0
352.09229	0.8
353.06454	0.5
353.10294	2.9
353.14038	0.4
355.08337	0.4
356.12903	0.7
365.10364	0.8
367.08264	0.9
368.08710	0.8
369.09756	6.2
369.14322	0.4
369.19229	0.5
370.10092	0.9
371.14966	2.3
374.33646	0.3
375.27576	0.5
379.08142	0.8
381.09811	1.9
382.10400	1.1
383.11340	2.7
384.11874	0.5
393.09848	2.1
394.10709	1.5
395.11545	1.4
397.09323	8.9
398.09842	1.6
399.10837	0.7
409.09430	0.4
411.10864	8.1
412.11673	7.9
413.12247	3.7
431.10019	1.2
447.09244	1.7
448.09726	0.4
457.11295	0.3
458.12012	0.4
473.11456	0.7
474.11761	0.9
482.47879	0.4
487.12375	0.5
505.13687	3.1
506.13742	0.5
515.15552	0.7
515.25171	2.2
533.30457	0.3
536.11761	0.4
545.16498	0.4
557.16455	1.0
575.17786	100.0
576.18127	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	575.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01042	0.4
52.57837	0.4
54.22136	0.4
57.03322	1.5
59.01264	21.4
61.98716	16.0
69.36491	4.2
69.71330	0.4
71.01266	7.9
72.98825	0.4
72.99187	2.0
73.02829	3.7
75.00748	0.5
77.25509	0.4
83.01268	2.1
83.04883	0.4
83.12212	0.4
85.02830	3.9
87.00768	1.5
89.02333	2.8
93.03362	1.2
95.01275	1.2
96.95955	0.6
98.19668	0.4
99.00767	1.6
99.31420	0.5
101.02349	5.0
107.01223	0.6
108.02081	0.9
109.02843	3.0
109.83810	0.5
111.00778	1.0
113.02339	3.8
119.03396	1.0
119.04927	1.5
121.02836	1.6
123.00764	0.6
123.04427	0.5
125.02360	3.1
131.03432	0.5
131.04933	0.7
133.02856	1.0
135.04439	3.2
137.02385	1.5
139.03960	0.8
145.02885	1.0
146.63326	0.5
147.04422	2.0
148.01579	1.9
149.02327	1.4
149.06017	0.9
150.03160	0.7
151.00307	1.8
151.03964	0.9
152.01031	1.0
153.01859	0.8
159.03009	0.5
159.04419	1.7
159.07701	0.4
160.04005	0.5
161.02359	1.2
161.04485	1.7
163.00380	0.5
163.03891	0.8
165.02051	0.6
174.03137	1.2
175.03951	1.3
177.01907	0.8
179.03433	0.6
181.04977	0.5
186.03116	0.5
188.01059	0.7
190.02682	0.6
201.01854	0.5
202.02707	3.9
203.03441	1.0
204.04219	0.8
205.05037	0.9
211.07663	0.4
214.02705	1.6
215.03323	0.5
225.05530	0.7
232.03673	0.5
239.07079	1.2
240.07828	0.9
241.04935	0.8
251.07149	0.8
253.05064	0.5
255.06630	0.8
266.05823	0.7
267.03098	0.4
267.06680	2.0
268.03888	0.5
268.07349	0.5
269.04678	2.1
269.07343	0.4
270.05124	0.5
271.06161	1.2
279.06580	0.7
281.04523	1.0
281.08255	1.3
283.06201	4.7
284.03525	0.8
284.06915	1.1
285.04047	0.5
285.07626	1.1
287.05527	0.4
292.87024	0.4
293.04495	0.6
294.05731	0.5
295.06042	2.4
296.03510	1.0
296.06827	0.9
297.04071	1.3
297.07651	1.8
298.04822	0.8
309.04016	0.9
310.04865	0.5
311.05701	8.7
312.06467	15.9
313.07202	6.6
314.07410	0.5
315.12524	0.6
323.05582	3.3
324.06430	11.0
325.07193	5.5
327.99112	0.4
335.05667	0.9
341.06723	5.3
342.07462	9.2
343.04132	0.8
343.08249	9.9
344.04987	0.7
344.08719	0.6
353.10300	5.1
364.09741	0.5
365.10495	0.5
374.06516	0.8
376.09650	0.6
377.10275	0.9
382.10483	1.1
394.10776	3.1
395.11368	4.6
412.11768	10.8
413.12466	24.5
414.13000	2.6
497.14398	0.5
515.15631	1.9
515.32355	3.8
533.33453	1.1
575.17786	100.0
576.18164	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	575.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14353	0.1
56.12767	0.1
57.03333	0.6
59.01265	4.1
61.98723	1.3
65.00219	0.2
70.93760	0.2
70.94099	0.3
71.01269	2.0
72.99207	0.5
73.02840	0.7
75.00759	0.9
79.01805	0.2
79.05428	0.2
83.01266	0.4
83.04947	0.3
85.02830	1.1
87.00777	0.6
87.18860	0.2
89.02337	1.1
93.03355	0.5
95.01284	0.4
96.95916	0.4
97.02841	0.2
99.00808	0.4
101.02348	1.3
108.02075	1.4
109.02865	1.7
111.04408	0.1
113.02364	0.8
117.03374	0.2
119.03419	0.3
119.04942	0.6
121.02880	0.9
121.06519	0.2
122.03677	0.3
123.00803	0.2
123.04444	0.5
124.01600	0.3
125.02345	1.5
127.03898	0.2
127.51836	0.1
131.04921	0.3
133.02856	1.5
134.03670	0.3
135.02924	2.4
135.04431	2.0
136.05241	0.2
137.02353	0.5
137.06044	0.2
139.03920	0.2
143.03455	0.4
145.02888	0.3
147.04436	0.6
148.01601	2.1
149.02371	1.3
149.06044	0.2
150.03143	0.9
151.00330	0.9
151.03929	0.4
152.01097	1.4
153.01869	0.6
159.04457	0.4
161.02405	1.1
161.04483	0.4
163.03954	0.9
164.04732	0.3
165.01865	0.3
165.05553	0.3
165.09216	0.2
167.03389	0.2
172.71165	0.1
173.02362	0.2
173.06053	0.3
174.03160	0.5
175.00406	0.2
175.03973	1.3
176.04663	0.3
177.01810	1.0
177.05592	0.2
179.03477	0.5
181.05022	0.5
183.04530	0.2
187.03984	0.5
189.01860	0.3
189.05534	0.2
190.02724	0.4
191.03474	0.6
193.05003	0.3
196.05269	0.3
197.05949	0.2
199.03978	0.4
201.01913	0.4
201.05582	0.3
202.02666	1.1
203.03479	1.0
204.04237	0.6
205.05003	0.6
207.02985	0.8
209.06221	0.3
209.08174	0.2
210.06830	0.2
211.04015	0.3
211.07639	0.5
212.04813	0.2
213.05505	0.3
215.03471	0.6
216.04242	0.4
217.04886	0.3
217.08704	0.4
221.06299	0.3
223.07663	0.7
224.04782	0.2
225.05548	0.7
226.06316	0.2
227.03539	0.6
227.07153	0.3
233.04480	0.4
233.08192	0.2
235.09695	0.4
238.06334	0.5
239.07175	2.1
240.04277	0.3
240.07852	0.6
241.05020	0.4
243.06720	0.2
246.05368	0.2
250.06294	0.2
251.07153	0.7
251.09236	0.8
252.04375	0.3
252.07500	0.3
253.05060	0.7
254.05771	0.4
255.06702	1.5
256.07242	0.3
257.08206	0.2
259.09708	0.2
261.07910	0.3
265.05136	0.5
266.05853	0.6
267.06665	2.3
268.03845	1.2
268.07419	0.8
269.04614	4.1
269.08060	0.5
270.05084	0.5
271.06192	0.6
279.06625	0.9
280.04138	0.3
280.07379	0.6
281.04575	0.5
282.05194	0.4
283.06143	3.6
284.06824	0.7
285.04276	0.3
285.07733	1.0
293.04700	0.3
294.05344	0.5
295.06158	4.2
296.03192	0.4
296.06824	0.5
297.04037	0.7
297.07584	0.6
307.06268	0.3
309.03943	0.7
310.04910	0.7
311.05670	5.4
311.09222	0.3
312.06442	18.2
313.07111	4.8
314.07901	0.3
321.04080	0.2
323.05594	3.4
323.08859	0.2
324.06454	8.9
325.07050	2.3
326.07590	0.3
335.05560	0.4
337.07022	0.3
341.06720	36.1
342.07449	31.0
343.08002	4.0
353.14066	1.2
355.08435	0.2
363.08582	0.2
364.09656	0.6
365.10352	0.4
369.09015	0.3
374.06369	0.8
376.09537	0.5
382.10281	0.3
394.10648	3.7
395.11392	1.1
397.08643	0.3
411.10504	0.3
412.11710	15.4
413.12411	4.7
414.12772	0.3
431.09988	0.6
447.61502	0.2
485.14749	0.2
505.13751	1.0
536.11932	0.4
557.16754	0.3
575.17792	100.0
576.18115	15.5
579.17603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.4
59.00993	0.4
59.01266	5.5
61.98717	15.7
68.54563	0.2
69.98558	0.6
69.98969	1.0
70.56367	0.3
71.01267	1.5
71.04893	0.5
72.99202	0.5
73.02827	0.7
73.12437	0.2
74.28356	0.3
75.00781	0.3
81.73066	0.2
83.01264	0.7
85.02845	0.9
87.00765	0.2
89.02320	0.8
98.08495	0.2
99.00798	0.3
101.02342	1.1
109.02846	0.6
113.02335	0.6
117.05489	3.7
119.04977	0.5
121.02858	0.8
125.02357	1.8
133.02866	0.4
135.04404	0.8
137.02351	0.3
143.03442	0.2
145.02898	0.4
147.00917	0.3
147.04436	0.3
148.01584	2.6
149.02357	1.3
150.03174	0.7
151.03967	0.3
159.04459	0.4
161.02406	0.7
161.04491	0.4
163.03947	0.6
164.04640	0.2
165.05563	0.5
174.03220	3.0
175.00459	0.3
175.03899	0.9
177.01903	0.8
179.05612	0.3
186.03163	0.9
187.04004	0.3
193.05049	0.3
202.02696	9.1
203.03424	2.0
204.04155	0.8
211.07588	0.3
213.05521	0.3
214.02734	3.6
215.03368	0.6
223.07623	0.4
224.04907	0.3
225.05618	0.4
227.03474	0.3
227.07175	0.3
232.03720	0.9
233.04482	0.4
237.05605	0.5
238.06187	0.3
239.07152	1.5
240.07884	0.6
241.05087	0.5
242.05821	0.3
251.07153	1.2
253.05287	0.6
255.06660	1.8
256.07455	0.4
261.07755	0.3
265.05267	0.4
266.05783	1.0
267.06668	2.5
268.03781	0.9
268.07364	0.5
269.04651	1.2
269.08383	0.3
270.26041	0.3
271.06281	0.3
277.04953	0.3
279.06650	1.7
280.07443	0.6
281.04541	1.0
282.05475	0.4
283.06134	3.6
284.06781	0.9
285.07590	0.4
293.04733	0.8
294.05377	1.1
295.06146	2.3
296.03320	1.5
296.06805	0.8
297.04053	1.2
297.07748	1.7
305.04739	0.4
307.06216	0.5
309.04129	0.6
310.04919	0.9
311.05676	10.2
312.06445	23.7
313.06873	2.9
315.08896	0.4
323.05661	4.5
324.06454	18.1
325.07001	3.1
341.06738	8.6
342.07489	21.8
343.08102	3.4
351.08575	0.4
352.09348	0.7
353.10358	6.1
353.23480	0.5
354.10629	0.4
356.12662	0.4
363.08774	0.3
364.09448	1.4
365.10098	0.3
371.15027	0.5
374.06396	0.4
376.09641	0.9
381.10022	0.3
382.10623	2.1
383.11395	0.3
394.10645	5.8
395.11288	2.1
412.11722	30.7
413.12192	6.4
414.12814	0.3
505.13586	0.8
506.10526	1.3
507.10840	0.3
515.15131	2.1
515.24615	0.4
536.11945	0.5
557.16882	0.5
575.17810	100.0
576.18121	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	575.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.2
55.76170	0.1
56.89714	0.1
57.03172	0.2
57.03424	0.3
57.32266	0.1
59.01023	0.5
59.01355	2.7
61.29426	0.1
61.98467	0.2
61.98815	0.8
63.02036	0.4
63.02389	1.3
63.91876	0.1
64.99973	0.2
65.00317	0.5
69.03403	0.2
71.00951	0.4
71.01378	2.9
71.04956	0.2
72.99264	0.2
73.02495	0.3
73.02942	2.1
75.00847	0.3
81.03466	0.2
83.01398	0.4
85.02961	1.5
86.00093	0.1
87.00885	0.4
89.02465	0.8
93.03479	0.5
95.01413	0.4
96.95982	0.2
97.02946	0.3
98.19682	0.2
99.00903	0.3
99.04488	0.2
101.02473	1.4
103.04029	0.2
105.03436	0.1
107.01421	1.3
108.02193	0.4
109.02344	0.1
109.02980	0.5
111.00843	0.1
113.02352	1.9
117.03373	3.7
118.03838	0.2
119.03513	0.2
119.05032	0.2
121.02940	0.3
123.04469	0.1
125.02346	0.6
127.04058	0.3
131.03571	0.1
133.02998	0.2
135.04465	0.7
137.02501	0.3
143.03456	0.9
145.03009	0.1
149.02380	0.9
151.00298	0.8
151.04111	0.1
151.82851	0.1
152.01178	0.3
153.01981	0.3
155.05130	0.1
157.05098	0.2
159.03177	0.2
159.04445	1.3
160.04062	0.1
161.02405	1.1
161.04456	0.6
163.04022	0.2
163.06053	0.8
169.05359	0.1
169.06625	0.5
171.04616	0.3
173.02364	0.6
173.06064	0.1
180.05876	0.2
181.06641	0.3
182.03772	0.2
183.04482	0.7
185.02451	0.1
185.04668	0.2
187.04102	0.3
189.01962	0.3
196.05385	0.3
197.06186	0.5
199.04004	0.2
201.05650	0.5
203.03592	0.1
203.05563	0.2
205.07082	0.1
207.13959	0.2
215.03572	0.3
217.01540	0.3
224.04788	0.3
225.05586	1.1
226.06004	0.1
227.03549	0.3
229.67076	0.1
241.01527	0.1
241.05023	0.2
268.03854	0.9
269.04608	100.0
270.04947	7.7
271.06277	0.3
279.06671	0.1
281.04825	0.1
283.06158	1.1
285.04178	0.2
287.05521	0.1
299.05508	0.1
305.04904	0.3
305.08820	3.4
306.05289	0.4
306.08981	0.2
307.05954	0.5
307.10010	0.1
311.05539	0.2
312.06067	0.2
314.55087	0.1
325.10501	0.2
335.05673	4.2
336.05865	0.5
341.14047	0.1
353.06522	0.2
353.10391	2.2
353.14413	0.3
354.10452	0.3
383.10556	0.2
395.11511	0.1
397.09183	0.2
399.10696	0.2
411.11075	0.1
412.11728	0.6
413.12076	0.3
431.09955	0.9
455.09946	4.4
456.09726	0.5
544.27185	0.6
544.77234	0.7
545.26849	0.4
575.13782	6.7
575.29138	0.4
576.13861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75025	0.5
57.03341	1.4
58.00482	1.1
59.01262	22.2
61.98720	5.7
65.03850	3.2
67.01778	1.1
69.03348	1.5
69.12212	0.4
70.81441	1.4
70.93642	0.4
71.01270	14.5
71.04902	0.5
72.01579	0.5
72.99207	1.1
73.02827	3.0
81.03365	1.0
83.01299	2.4
83.64265	0.5
85.02841	3.1
87.00784	2.6
89.02337	12.5
91.05437	6.7
93.03361	2.1
95.01286	1.1
97.02859	2.6
97.46804	0.4
99.00778	3.2
99.04424	1.0
101.02356	4.8
107.01250	0.6
107.04939	0.6
108.02087	1.3
109.02863	52.8
110.03208	1.6
113.02359	2.9
115.03895	1.2
115.14784	0.5
119.04973	1.5
121.02874	10.1
123.04459	0.7
125.02374	8.6
130.04166	1.2
131.03433	1.9
133.02910	4.9
135.04454	69.1
136.04802	1.8
137.44962	0.5
138.03152	0.8
143.03418	0.7
147.04433	4.8
149.04536	1.9
149.05954	0.8
151.00327	1.4
151.48502	0.5
158.43198	0.4
159.04465	23.8
160.04854	1.3
161.02364	0.6
166.68867	0.5
171.04451	1.0
173.02473	0.6
179.08646	0.5
189.01880	0.7
190.02615	1.0
191.03477	0.5
191.05643	1.7
197.06131	0.8
207.08369	0.5
207.10234	1.4
209.11848	0.5
211.07587	0.5
213.05576	1.6
213.09213	1.6
215.03339	0.5
219.08142	0.6
221.06042	1.2
233.06644	5.1
234.07005	0.5
237.09343	1.6
239.07117	3.7
251.09222	0.8
253.05176	0.5
253.08643	0.7
263.07239	4.8
267.07178	0.5
269.04501	0.6
281.08249	100.0
282.08563	8.3
293.08817	7.7
297.04004	1.0
298.04871	0.9
309.11295	0.6
311.05484	0.5
319.75754	0.5
353.14371	0.6
449.05118	0.7
515.32397	2.3
524.02191	0.6
533.33441	0.9
575.17798	70.4
576.18127	11.4
579.16968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1419
Annotation	Vitexin 6''-(3-hydroxy-3-methylglutarate)
Peak:m/z	Relative Intensity
50.45592	1.1
55.01747	2.0
57.03320	4.3
58.00476	1.4
59.01265	41.4
61.98715	31.9
65.00188	2.0
69.03330	2.1
71.00909	1.6
71.01271	27.8
71.04891	1.3
71.56911	1.8
72.99199	16.0
73.02831	11.0
75.00771	6.0
78.94548	1.1
78.95814	2.1
83.01276	8.9
83.04869	1.2
83.30659	1.0
85.02846	12.6
87.00782	6.3
87.04401	1.4
88.72649	1.0
89.02342	16.0
91.67933	0.9
93.03357	5.2
95.01268	2.5
96.95898	2.6
97.02795	1.6
99.00772	5.3
99.04411	2.5
101.02343	25.1
103.03902	2.1
107.04933	1.4
108.02055	2.0
109.02825	4.0
111.00775	1.9
111.04412	1.2
113.01751	1.0
113.02371	11.7
114.01868	1.5
115.03861	1.2
117.03384	12.0
119.03445	8.3
119.04932	5.7
120.01159	1.5
121.02848	1.8
123.00769	1.2
123.04396	1.5
125.02352	11.0
128.03413	4.6
131.03415	4.1
131.04897	2.0
133.02859	2.5
135.00812	1.4
135.02905	7.6
135.04408	4.8
137.02359	2.6
138.05505	1.1
139.03853	1.1
141.09120	1.5
143.03352	2.8
145.02850	1.8
147.04404	1.8
149.02345	4.1
149.04454	3.8
149.05951	2.4
150.03084	1.1
151.00290	4.5
151.03905	1.5
152.01019	3.2
153.01881	2.1
159.02922	1.2
159.04457	1.7
160.03879	3.2
161.02458	6.1
161.04462	11.7
163.00391	1.6
163.03899	2.6
163.06018	5.1
165.01845	1.2
165.05464	1.5
167.03419	1.4
173.02359	2.9
175.00264	1.2
175.02490	2.3
175.03932	4.9
177.01854	4.8
179.03363	2.0
179.05583	9.8
179.07045	1.8
185.02350	1.7
187.02383	2.3
189.01843	2.7
189.05473	1.7
191.03369	2.9
191.05513	2.1
199.04018	1.2
201.01881	2.5
203.03432	3.8
203.05257	1.3
203.12787	0.9
205.01355	1.9
205.05043	1.3
207.02977	2.4
214.08722	1.4
217.01483	1.5
217.04990	1.5
218.05392	1.7
219.02895	3.6
221.06639	13.1
229.01303	1.4
231.02888	3.0
233.04495	1.3
235.02382	2.1
237.05606	1.6
239.07074	1.4
245.04431	2.1
251.07207	1.8
253.05083	1.1
253.08691	4.7
255.06560	1.3
257.09268	3.3
263.07593	4.4
267.06607	2.4
269.04575	8.0
269.09229	3.5
271.06146	4.9
271.09247	1.2
275.05673	1.6
281.04587	5.0
282.05197	4.5
283.06219	16.5
285.04034	2.6
287.05438	1.6
291.06970	1.6
291.12473	1.2
293.04529	3.7
293.07990	1.7
294.05304	1.6
295.06219	12.9
296.06860	3.0
297.04318	1.3
297.07690	16.1
306.05267	2.4
307.06198	7.1
307.09375	1.6
308.06860	1.6
309.03943	3.9
309.07672	5.0
310.04681	1.7
311.05673	14.2
311.10318	5.2
311.13620	1.1
312.05981	2.6
321.04019	1.5
322.04697	3.8
323.05667	12.1
325.07263	6.8
328.05923	1.2
335.05637	6.3
337.03516	1.5
337.07196	8.5
339.05249	7.1
340.05698	2.9
341.06705	6.1
349.07220	2.5
350.04306	1.4
351.04977	13.6
351.08875	8.4
352.05289	1.7
352.09125	12.8
353.06311	7.9
353.09436	13.2
353.14166	2.0
355.08405	1.2
363.04929	3.3
365.06567	4.2
367.08350	2.5
369.06076	7.4
369.10022	1.4
381.06201	10.4
383.07791	12.7
384.07761	1.2
393.05878	1.8
395.07532	1.9
399.07098	2.4
411.07059	4.5
413.08228	2.4
413.12894	2.0
427.10208	1.2
431.09848	7.2
434.50656	1.3
437.08664	2.3
443.10165	1.9
455.09799	9.2
459.09424	10.1
467.09616	1.8
471.09421	19.5
472.09668	1.1
473.10962	5.8
483.09360	2.0
485.10861	4.6
489.10529	3.2
492.37595	1.1
501.10553	11.0
503.11835	8.3
531.11511	10.5
533.26062	1.6
537.33331	1.4
539.34344	2.5
557.13074	16.1
558.13605	2.1
575.14063	100.0
575.30841	5.7
576.14355	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	575.142
Annotation	Maysin
Peak:m/z	Relative Intensity
57.03332	1.1
59.01254	10.4
61.98708	1.3
69.62743	1.9
69.63158	3.7
71.01273	6.5
73.02831	2.3
75.38480	0.8
83.01281	2.4
83.83425	0.9
85.02841	2.9
87.00755	2.5
89.02339	8.3
93.03352	3.2
95.01316	0.8
95.32838	0.9
99.04408	1.4
101.02365	4.9
105.03370	1.1
113.02352	3.3
117.03372	12.8
119.03414	1.1
119.04947	2.2
121.02922	0.9
125.02377	5.0
131.04893	1.0
133.02881	1.5
135.04416	2.9
137.02428	1.9
143.03398	1.0
145.02855	1.1
147.04442	1.6
149.02399	2.0
159.04440	1.5
159.64163	0.8
161.02409	7.9
161.04474	1.7
163.03966	1.8
165.01956	0.9
173.02451	1.0
175.03944	5.2
177.01900	5.9
177.05571	1.3
179.03423	0.9
179.05609	1.0
185.02448	1.8
187.02400	2.1
188.01282	1.0
189.01883	5.5
189.05597	1.2
191.03392	2.1
201.01910	1.6
203.03424	5.7
204.00621	1.1
205.01349	1.3
205.05043	1.6
206.07401	1.4
207.03052	1.1
207.07993	1.2
208.36354	0.8
209.06087	1.2
212.49022	0.9
217.01334	1.0
217.05051	2.0
219.02921	1.6
221.04440	1.1
223.07710	1.5
225.05554	1.0
229.05028	0.9
231.02995	3.2
233.04387	1.2
235.02380	0.9
235.07689	1.1
239.07356	1.4
243.02998	1.2
245.04529	1.3
247.06097	1.5
251.07121	4.3
252.04280	0.8
253.05028	1.3
253.08548	0.8
257.00980	1.2
257.04654	1.3
258.51047	1.0
263.07227	1.7
265.05084	1.1
266.05801	1.1
267.06631	3.1
268.07385	1.2
269.04526	2.4
275.05630	7.5
277.05048	1.7
278.05838	1.9
279.06644	2.6
281.04608	4.6
282.05386	2.4
283.06189	14.8
284.06485	1.2
285.04059	2.8
287.05606	1.2
293.04657	3.4
294.05319	2.1
295.06180	20.7
296.06754	4.1
297.04413	1.7
297.07693	10.8
298.08069	0.9
299.05646	1.0
305.06772	3.3
306.05313	0.9
307.06213	14.4
308.03387	1.8
308.06604	1.9
309.04303	1.8
309.07730	4.6
311.05710	13.9
312.06076	1.7
319.06079	1.2
321.04022	2.7
321.07724	2.0
322.04803	3.7
323.05664	22.7
323.09445	1.3
324.06128	3.7
325.07370	4.7
326.07639	1.6
328.05798	1.9
335.05551	4.4
337.03470	2.0
337.07251	10.2
338.03870	1.1
339.05179	5.7
341.06531	3.6
347.08020	0.9
349.07196	3.4
350.04254	2.1
351.05182	37.7
352.05612	4.5
353.06796	12.1
356.05240	1.2
363.05051	5.5
365.06778	9.7
366.07092	1.0
367.04379	1.0
367.08438	2.4
369.06049	1.9
377.06088	0.9
381.06262	12.8
382.06693	1.9
383.07785	18.6
384.08197	2.2
391.08054	1.0
393.10138	1.1
395.08191	3.4
409.08881	1.2
411.07141	3.4
413.08792	3.7
425.08740	1.2
427.10547	1.6
431.09854	3.5
437.09308	2.5
443.10028	4.0
455.09915	3.7
459.09512	2.6
471.09412	59.5
472.09711	7.4
473.10837	3.6
483.09564	1.7
485.11130	7.5
487.08823	1.4
489.10693	1.0
501.10559	9.8
502.10962	2.5
503.12128	22.4
504.12091	3.8
513.10071	1.2
531.11548	14.8
532.11902	2.2
539.12164	1.2
557.13196	19.3
558.13269	2.3
575.14172	100.0
576.14502	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	575.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03331	2.6
58.41901	0.9
59.01258	19.4
61.98716	4.9
68.08631	0.8
69.03342	1.1
71.01266	17.0
71.59650	1.5
72.00767	1.0
72.99197	1.9
73.02834	4.5
74.02370	1.3
75.00768	6.6
81.03319	1.0
83.01276	3.1
85.02837	5.8
87.00768	2.6
87.04396	1.5
88.98696	1.2
89.02339	16.7
93.03349	2.6
95.01283	1.6
96.95901	1.7
97.02809	1.4
98.02398	1.3
98.06033	1.7
99.00762	5.2
99.04389	1.0
101.02348	7.7
107.04916	0.8
108.02077	2.0
109.02864	2.2
113.02351	5.6
115.03934	1.4
117.03371	14.2
118.04993	1.4
119.03423	1.6
119.04922	2.9
121.02811	1.5
122.03607	1.0
123.04462	1.9
124.03950	0.9
125.02367	11.1
131.03401	3.2
131.04980	0.9
131.07054	1.8
133.02911	1.8
135.04445	3.0
137.02388	2.9
143.03427	1.2
145.02905	1.2
147.04422	2.6
149.02371	3.0
149.04492	7.6
149.05591	1.1
151.00291	1.0
151.03952	1.7
152.01125	4.4
153.01828	1.3
159.04433	1.8
161.02376	10.1
161.04564	1.5
161.06018	1.1
162.03082	1.0
163.03926	1.8
163.06032	1.1
165.01895	1.2
167.03435	1.6
173.02377	1.4
175.03983	7.4
176.01135	1.7
177.01897	4.8
177.05428	1.5
179.03403	1.7
187.02388	1.5
187.03955	2.0
189.01926	4.6
189.05534	2.5
191.03493	4.1
191.05551	1.6
201.01810	1.7
202.02812	1.2
203.03383	5.2
205.01370	2.8
205.05023	1.7
207.02930	3.4
209.06157	1.8
209.08099	0.9
215.03552	1.7
217.05092	1.7
219.02982	4.1
221.04492	2.1
221.06494	1.4
223.07613	1.5
227.03516	1.2
231.02986	2.5
233.04559	2.5
237.06046	6.8
238.06281	0.9
239.07062	1.9
241.05026	1.0
243.03033	1.1
245.04478	2.3
247.06108	1.5
251.07269	3.1
253.05077	1.6
253.08815	1.3
261.06064	1.2
263.07193	1.9
265.05313	1.3
267.06650	2.8
269.04498	2.2
272.30130	0.9
275.05615	16.2
277.04996	1.5
278.06000	1.1
279.06665	3.5
281.04617	7.7
282.05420	4.8
283.06177	20.8
284.06555	1.2
285.04056	1.5
287.05603	4.3
293.04599	4.3
293.08179	2.4
294.05396	3.5
295.06149	20.4
296.06909	5.2
297.04123	2.6
297.07712	10.6
305.06622	3.6
306.05234	1.2
307.06180	11.6
308.03357	1.6
308.06769	2.1
309.04425	2.0
309.07794	6.0
310.04700	1.7
311.05673	26.9
312.06039	2.4
314.04318	1.6
317.06595	2.6
319.06119	2.0
321.03958	4.2
321.07758	4.2
322.04807	4.5
323.05661	23.5
323.09384	1.3
324.05960	1.9
325.07220	9.0
326.07870	1.0
328.05768	2.1
335.05569	6.7
335.09076	1.2
337.03671	1.3
337.07254	16.0
339.05112	8.9
341.06625	7.8
349.07367	5.7
350.04379	1.2
351.05118	28.3
351.09384	1.6
352.05487	2.7
353.06683	16.4
353.10349	2.1
353.13995	1.1
354.07306	1.3
355.08304	2.0
363.05057	6.7
365.06659	9.3
366.07111	1.0
367.08447	4.9
369.06097	9.1
370.06711	1.1
377.06674	1.0
379.08542	1.0
381.06143	15.6
382.06274	1.8
383.07822	22.1
384.08258	2.6
393.05710	1.7
395.08286	4.9
399.07190	1.6
409.09274	2.1
411.06641	4.2
413.08841	6.3
425.08920	1.6
427.10291	4.8
431.10028	6.2
437.08572	4.7
441.07980	1.2
443.10034	4.7
445.73346	1.1
446.40573	1.0
455.09717	3.6
457.11484	2.1
459.09406	17.5
460.09506	1.2
463.08188	1.1
467.09589	1.5
471.09399	58.1
472.09705	7.1
473.10828	7.4
474.11041	1.2
483.09369	3.9
485.11041	12.9
486.11481	1.4
489.10510	4.4
497.20520	1.3
501.10526	15.9
502.10922	2.4
503.12045	31.2
504.12537	4.5
531.11493	24.5
532.11633	3.1
539.12079	1.2
557.04492	1.5
557.13165	27.5
558.13324	2.6
575.14117	100.0
576.14178	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	573.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52019	0.3
55.01769	0.5
57.03341	1.8
58.00473	0.4
58.10613	0.2
59.01265	12.2
61.98711	1.5
65.00206	0.4
68.57043	0.2
69.03354	0.5
70.36001	0.5
70.36371	0.8
71.01270	9.2
72.99194	2.1
73.02838	3.8
75.00748	1.0
78.95766	0.4
83.01270	2.5
85.02841	4.4
87.00774	1.2
88.98745	0.4
89.02343	2.5
91.01826	0.3
91.05426	0.4
93.03349	1.1
95.01285	0.7
96.32117	0.2
96.95929	0.6
97.02859	0.6
97.06499	0.2
99.00771	1.8
99.04390	0.3
101.02345	7.1
103.00271	2.2
107.34795	0.3
108.02074	0.9
109.02859	0.9
111.00773	0.6
111.04423	0.3
112.03947	0.3
113.02369	4.2
117.03376	0.7
119.01268	0.8
119.03415	0.5
119.04942	1.2
121.02873	7.1
123.04425	0.7
124.01588	0.3
125.02358	5.0
129.01877	0.3
131.03416	0.3
132.02127	0.7
133.02922	0.5
135.04460	2.1
137.02359	0.9
139.00258	0.3
143.03439	0.6
145.02878	0.3
146.99312	0.5
147.00774	0.6
147.04428	3.0
148.04759	0.3
149.02376	49.8
150.02722	1.7
151.00327	0.6
151.03986	0.3
152.01070	1.0
153.01917	0.3
154.36522	0.3
159.03026	0.6
159.04489	0.2
161.02374	1.5
161.04483	2.3
161.05771	0.4
163.03990	1.1
164.04736	49.3
165.01874	0.4
165.05054	1.7
167.03410	0.5
169.05122	0.2
175.00328	3.7
175.02551	0.3
177.01889	0.6
179.03459	0.8
179.05637	0.4
179.07085	6.4
180.04190	0.4
180.07416	0.3
190.02686	9.5
191.03160	0.5
193.01407	0.6
201.01910	0.3
205.05049	11.2
206.05403	0.7
208.03738	1.4
211.13382	0.8
215.03474	0.4
223.06116	100.0
224.06458	5.5
235.11839	2.6
253.05063	0.4
269.04678	0.6
271.06137	0.7
279.06546	0.5
283.06067	0.4
285.04095	0.7
287.05762	0.4
295.06009	0.3
297.03949	0.3
298.04675	0.3
307.06027	0.3
311.05826	0.6
312.06259	0.3
323.05676	1.2
324.06461	0.4
325.10822	0.4
335.05588	0.6
341.06946	0.3
349.15091	1.2
351.08340	0.3
353.06802	0.4
353.10330	1.1
365.10449	1.4
367.16025	1.7
373.26035	0.5
375.27554	0.8
381.09888	0.9
382.10498	0.3
383.11533	1.4
384.11368	0.3
393.05804	0.4
393.10013	2.4
394.05725	0.4
399.16077	0.3
409.09018	0.3
410.09756	0.5
411.10919	31.5
412.11163	3.5
531.28125	0.4
543.26752	0.5
543.76599	0.4
544.27405	0.4
552.28693	0.6
552.78314	0.5
573.14783	1.3
573.21826	6.7
573.29712	2.4
574.15216	0.5
574.22253	1.0
574.30176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.199
Annotation	Dalpanol O-glucoside
Peak:m/z	Relative Intensity
59.01263	0.7
61.98728	0.2
70.70002	0.4
74.53069	0.1
95.76328	0.1
101.02370	0.3
119.01359	0.2
121.02886	0.3
133.02899	0.6
144.01068	0.1
148.01802	0.1
149.02419	0.1
161.02379	0.2
166.04462	0.1
187.07587	0.3
201.01929	0.4
214.02951	0.1
215.03551	0.3
217.08549	0.1
219.10403	0.1
239.06990	0.2
243.06677	0.2
243.92813	0.2
245.08107	0.2
253.04935	0.2
254.05832	0.2
261.07819	0.3
263.07321	0.1
265.05307	0.2
279.06747	0.3
281.04651	0.4
282.05298	0.4
283.62988	0.2
291.06631	0.2
293.04636	0.5
294.05328	0.3
295.06027	0.3
296.06955	0.2
303.22635	0.1
307.06210	1.1
309.04047	0.2
311.05634	0.3
312.06320	0.4
314.04584	0.2
319.06183	0.6
321.11337	0.2
323.05725	1.1
324.06396	0.4
325.07236	0.4
328.05811	0.2
334.08469	0.2
335.05695	1.3
336.06119	0.3
336.09845	0.2
337.07199	1.4
337.10922	3.4
338.11139	0.3
340.05856	0.3
344.05460	0.3
349.07291	0.5
349.10883	8.7
350.11288	1.3
351.12396	1.1
352.09650	0.2
353.06638	0.7
354.07626	0.2
355.08310	1.1
356.05368	0.3
358.06985	0.2
362.11462	0.2
363.12454	2.1
365.06519	0.4
365.10394	1.5
366.11038	0.5
367.08334	1.4
367.11972	19.1
368.05121	0.2
368.12280	2.5
369.13528	0.4
375.12750	0.2
377.10367	2.4
378.10950	0.6
379.11908	4.4
380.12534	2.6
381.13535	6.2
382.13770	0.7
386.06467	0.4
391.06870	0.2
391.11951	4.5
391.16776	0.3
392.12653	2.2
393.13568	1.0
395.11414	26.0
396.11902	4.3
397.12979	0.8
407.11572	0.2
409.12982	20.5
410.13712	14.9
411.14404	3.4
412.14868	0.3
425.12241	0.5
435.44928	0.2
533.32837	0.1
543.19031	0.2
555.18799	0.9
573.19885	100.0
574.20215	15.9
574.29596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.6
58.00495	1.0
59.01264	61.1
61.98717	13.6
69.03349	1.1
71.01268	14.0
71.52219	1.8
72.99201	4.4
73.02834	4.9
75.00755	2.2
83.01277	3.7
83.04888	1.4
85.02843	6.4
87.00755	3.0
88.98697	2.0
89.02325	4.2
95.01248	1.3
99.00785	2.7
99.38933	1.2
101.02348	9.3
108.02029	1.2
109.02840	3.0
111.00800	1.3
113.02370	5.1
117.03370	1.5
119.03483	1.4
119.04954	1.4
121.02843	3.0
123.00764	1.3
125.02361	10.1
132.02046	1.8
133.02878	2.2
134.03648	1.8
135.02872	1.6
135.04446	3.8
137.02382	1.4
143.03380	1.9
149.02393	1.5
151.00388	2.5
151.03923	1.2
161.02365	2.5
161.04446	2.0
162.02884	1.3
163.03841	1.7
165.05501	1.4
175.02446	1.7
175.03909	1.4
177.01830	1.1
179.05626	1.2
187.03889	1.3
188.01114	1.6
194.04140	1.1
199.36836	1.3
229.05070	2.2
237.05562	1.6
239.03444	3.9
245.06194	1.4
253.04976	1.5
269.04520	1.8
271.06134	2.2
281.04556	4.3
282.05328	3.6
285.04037	1.5
293.04541	15.0
294.05127	2.7
295.05997	1.2
298.04510	1.6
303.06815	1.6
304.07443	1.4
305.08218	3.8
309.04065	2.8
309.07458	1.1
310.04993	2.6
311.05652	1.3
318.05359	1.6
321.04169	1.8
321.07803	1.5
322.04932	1.4
322.08459	6.3
323.05624	2.2
323.09174	2.6
331.06027	3.1
332.07034	8.2
333.07700	7.0
339.05017	1.7
340.05942	1.4
350.08069	16.8
351.08780	100.0
352.09247	9.2
366.10812	2.0
381.09897	7.0
410.09973	5.3
411.10590	3.2
411.18332	2.7
469.31876	1.7
513.14172	78.8
513.29889	6.5
514.14777	6.7
529.17212	3.1
532.28973	1.2
573.16168	32.7
573.31958	2.0
574.16742	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	573.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	0.2
57.03404	0.7
59.01333	4.6
61.98789	1.0
71.01350	3.1
72.98907	0.2
72.99280	0.6
73.02919	0.9
75.00830	0.4
76.38840	0.1
78.95886	0.2
81.03426	0.3
83.01375	0.5
83.04951	0.2
85.02844	1.5
87.00861	0.6
87.04456	0.2
89.02428	0.6
92.36038	0.2
93.03449	0.5
95.01338	0.2
96.95953	0.4
97.06577	0.2
99.00881	0.6
99.04462	0.2
100.04010	0.1
101.02355	2.5
103.00338	0.4
108.02140	0.4
109.02955	0.7
111.04456	0.2
112.04034	0.2
113.02376	1.7
113.35624	0.1
116.77580	0.2
117.03454	0.4
119.01358	0.2
119.03495	0.4
119.05027	0.4
121.02859	2.0
123.00852	0.2
123.04496	0.5
124.01711	0.3
125.02377	1.7
132.02086	0.2
133.02980	0.5
135.04482	0.8
137.02467	0.5
139.03937	0.3
141.09196	0.3
143.03493	0.3
147.00858	0.3
147.04443	0.9
148.01678	0.7
149.02379	11.6
150.02818	0.2
151.00356	0.3
151.04048	0.6
152.01108	0.4
157.01503	0.2
159.02972	0.3
161.02473	0.7
161.04565	0.7
162.03282	0.2
163.03940	0.4
164.04738	10.5
165.05183	0.3
174.03192	0.3
175.00334	0.8
175.04034	0.5
177.01935	0.5
179.03493	0.6
179.05618	0.3
179.07069	1.5
185.06079	0.2
190.02690	2.3
191.03442	0.3
193.08774	0.2
199.07663	0.2
202.02773	0.4
203.03531	0.2
205.05061	2.8
206.05331	0.2
208.03777	0.4
211.13385	0.4
213.05508	0.3
215.03519	0.7
223.06114	23.1
224.06540	1.1
225.05559	0.2
226.06322	0.2
227.03571	0.4
230.17773	0.2
233.08229	0.2
235.11949	0.4
237.05663	0.3
239.07108	0.3
242.05864	0.2
251.07190	0.2
253.05229	0.3
255.06548	0.4
259.06207	0.3
265.05164	0.3
267.06641	0.3
268.07162	0.3
269.04529	0.7
270.05316	0.4
271.06076	0.5
279.06726	0.2
280.07367	0.2
281.04514	0.3
283.06113	0.3
284.06815	0.5
285.03973	0.2
293.04449	0.3
294.05063	0.2
295.06195	0.7
296.06827	0.2
297.04132	0.8
297.07297	0.2
298.04703	0.6
307.06171	0.4
307.09558	0.2
309.04031	0.7
309.07483	0.2
309.11624	0.2
310.04855	0.3
311.05603	0.9
312.06516	0.9
313.07077	0.2
319.09525	0.4
323.05667	3.1
323.09302	0.3
324.06387	1.3
325.07111	0.2
325.10760	0.6
335.05704	2.0
335.09271	0.4
336.06302	1.0
336.09766	0.2
337.07141	0.4
337.10748	0.4
338.07840	0.3
341.06802	0.3
344.05325	1.1
347.09283	0.3
349.14969	0.2
351.08585	0.4
352.09293	0.2
353.06537	0.9
353.10229	3.1
354.07117	1.2
354.10904	0.4
355.11761	0.2
356.05066	0.4
363.08676	0.5
364.09372	0.2
365.10397	4.1
366.07022	0.3
366.10931	0.3
367.07956	0.4
367.15915	0.3
368.08893	0.2
369.13464	1.2
373.25821	0.8
374.06354	0.3
374.26355	0.2
375.27301	0.7
378.07312	0.2
380.08795	0.2
381.09848	3.0
382.10083	0.5
383.06757	0.3
383.11426	4.2
384.11377	0.4
393.09882	7.0
394.10147	0.8
395.07477	0.2
396.08231	0.6
409.08865	0.5
410.09711	0.6
411.10925	100.0
412.11261	11.0
552.27930	0.5
573.15186	6.2
573.29376	0.9
573.78180	0.4
574.15472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17275	0.3
57.03320	0.8
57.77985	0.3
59.01263	10.2
61.98720	1.8
69.03341	0.3
70.92406	0.6
71.00916	0.3
71.01269	4.5
72.99180	1.1
73.02850	1.6
75.00776	0.6
78.95798	0.3
83.01273	1.2
83.04868	0.3
85.02849	1.7
87.00768	0.8
87.67394	0.3
89.02338	1.4
93.03329	0.8
95.04861	0.3
97.02903	0.3
99.00760	0.5
101.02338	3.0
103.00274	1.6
107.01263	0.4
107.04902	0.4
108.02085	0.5
109.02866	1.3
112.03956	1.0
113.02332	1.2
113.06022	0.3
119.01255	0.4
119.03362	0.5
119.04930	0.6
121.02858	1.1
122.61488	0.3
125.02386	3.0
128.03450	0.3
133.02869	0.7
135.04480	1.4
137.02364	0.8
140.07056	0.3
141.09105	0.8
143.03406	0.4
146.99289	0.8
147.04419	0.5
149.02406	0.7
149.04465	0.3
151.00253	1.0
151.03920	0.4
152.00958	0.3
153.01871	0.4
161.02364	1.1
161.04453	0.8
163.04015	0.6
164.04649	0.4
177.01944	0.6
177.05530	0.8
179.03468	2.2
181.04916	0.4
188.07111	1.1
189.01901	0.4
190.02710	0.3
199.03915	0.4
201.05539	0.4
211.13383	0.6
215.03540	0.4
219.06578	0.6
223.06084	0.7
249.05649	0.4
253.05159	0.4
255.02856	0.4
269.04529	0.7
271.06131	0.6
283.06009	0.4
284.03354	0.4
285.04059	1.2
287.05695	0.7
293.04691	0.9
293.08560	0.4
294.05203	0.5
295.06116	0.9
297.03940	0.4
305.08224	0.4
307.06256	1.4
309.07748	0.8
319.06195	0.7
321.04205	0.4
321.07800	0.8
322.04810	0.5
322.08478	0.4
323.05679	0.8
325.07153	0.9
335.05557	1.2
335.09207	0.4
336.06226	0.4
337.03622	0.5
337.07269	5.8
338.07556	0.7
339.08612	0.5
349.07275	9.0
350.07669	1.2
351.08752	1.7
353.06711	0.9
362.07831	0.4
363.08908	1.8
365.06763	1.0
365.10867	0.4
367.08276	25.2
368.08661	3.0
369.13470	0.5
377.06659	1.0
378.07626	0.7
379.08282	3.0
380.09088	1.7
381.09863	8.7
382.10181	0.9
391.08282	4.4
392.08951	1.4
393.09705	1.2
395.07779	19.0
396.08313	3.2
397.09174	1.0
409.09351	19.9
410.10095	12.3
411.10736	4.5
412.11505	0.6
425.08740	0.4
447.09232	0.5
513.14148	0.8
552.28314	0.4
552.77954	0.3
555.14801	0.5
573.16193	100.0
574.16547	16.2
574.26208	0.3
574.29791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.2
59.01262	2.4
61.98717	1.1
62.25436	0.1
63.43064	0.1
69.54150	0.4
69.54564	0.7
71.01276	1.4
72.99181	0.2
73.02839	0.6
83.01285	0.3
83.04887	0.2
85.02850	0.5
87.00775	0.3
89.02345	0.7
91.01793	0.2
93.03335	0.2
96.95905	0.3
101.02346	1.1
108.02072	0.3
109.02849	0.4
112.03960	0.4
113.02348	0.6
116.04978	4.0
117.03386	0.1
117.05386	0.2
119.03409	0.2
119.04929	0.4
119.82897	0.1
121.02881	0.2
123.00778	0.3
123.04440	0.3
124.03950	0.3
125.02349	0.7
131.03487	0.2
132.04448	0.3
133.02867	0.2
135.02919	0.4
137.02385	0.4
140.62267	0.1
141.05470	0.3
149.02368	1.0
149.06012	0.4
150.03168	0.2
150.65038	0.2
151.00287	0.2
151.03851	0.2
152.01076	0.5
153.01884	0.2
159.03201	1.0
160.03983	100.0
161.04335	5.0
164.04706	0.6
166.05029	3.5
167.03470	0.2
174.01797	1.1
174.05580	0.4
175.00298	0.8
177.01822	0.3
184.06021	0.1
190.02702	1.9
191.03403	0.3
200.03531	0.5
204.03026	4.2
205.03297	0.3
205.05026	1.6
212.03487	0.4
217.05142	0.4
218.04588	2.7
219.04895	0.2
223.06097	0.5
243.06590	0.2
249.04205	0.3
261.04529	0.2
266.04703	0.2
269.04587	0.2
276.03128	0.3
277.03757	0.4
285.03992	0.2
292.06262	1.2
294.04184	0.7
322.09558	0.3
324.08850	3.4
325.09195	0.3
336.05289	0.8
351.08762	3.3
353.08783	0.6
366.08347	17.1
367.10138	2.5
368.10724	0.2
406.10806	0.2
513.13019	0.2
528.15100	0.2
572.14178	11.0
572.28101	0.4
573.14423	2.1
573.24927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
59.01262	10.3
61.98715	2.4
68.99709	0.3
71.01268	1.8
73.02807	0.6
75.00753	0.3
83.01255	0.5
85.02839	0.8
87.00769	0.5
90.34193	0.3
93.03318	0.3
98.20645	0.5
98.21861	0.2
99.00768	0.4
101.02333	1.1
113.02300	0.6
116.92815	0.2
119.01297	0.3
133.02863	0.8
133.06497	0.7
149.02435	0.3
149.06001	0.4
157.06570	0.4
161.02371	0.4
163.03877	0.3
173.02446	0.3
173.05994	0.6
175.00351	0.3
175.07617	0.4
189.01921	0.3
199.03992	0.3
201.01881	0.4
217.05069	1.4
239.03468	0.4
240.04243	0.9
245.04590	0.4
249.23207	0.3
251.03506	0.3
253.05125	0.7
254.05875	0.4
265.05075	0.5
267.03070	0.7
268.03775	2.4
269.04495	0.5
278.45242	0.3
279.10080	0.4
281.04626	1.0
281.08255	0.4
282.05392	0.4
293.04553	2.1
294.05219	0.3
296.03363	1.1
297.03925	1.0
300.02969	1.5
305.04892	0.3
305.08340	0.4
308.03448	0.3
308.06891	0.5
309.04059	2.4
310.04901	1.3
311.05664	3.5
312.05820	0.3
314.04391	1.0
321.04071	2.2
323.05612	5.1
323.09235	26.5
324.05966	0.7
324.09616	2.5
333.07773	0.4
336.06308	0.5
336.10016	0.9
337.07205	0.3
337.10852	6.4
338.11212	0.8
342.03790	1.7
349.07248	5.9
349.10992	0.5
350.07748	0.9
351.08789	31.1
352.09354	4.8
353.10077	1.4
354.97177	0.3
363.08755	2.4
364.09247	0.5
365.10367	23.7
366.11075	17.0
367.11813	4.1
368.12192	0.4
377.06677	5.7
378.07095	1.8
379.08105	0.5
379.12476	0.4
381.09537	0.5
391.08325	4.4
392.09094	7.2
393.09827	2.8
395.07654	0.6
396.08319	0.4
410.09970	1.1
411.10858	0.8
455.35468	0.3
462.25363	0.6
513.30432	1.3
529.17249	12.8
530.17694	2.1
531.31580	0.5
555.15167	11.0
556.16193	1.2
573.16217	100.0
574.16553	16.6
574.25897	0.4
583.67053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.29
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.37060	0.3
56.26336	0.2
57.34294	0.3
62.05460	0.2
62.96288	0.5
66.34992	0.2
70.44225	0.4
70.44579	0.8
78.95792	59.7
90.09335	0.2
90.89045	0.3
96.96857	13.2
104.54257	0.3
105.17634	0.2
107.94241	0.3
134.98431	0.4
150.97952	0.7
152.99524	56.2
153.99857	1.0
171.00549	0.6
223.00117	2.5
237.22130	0.3
241.01204	31.9
242.01546	1.1
255.23325	72.1
256.23654	6.3
259.02319	0.7
285.00378	0.3
315.04913	8.8
316.05072	0.4
333.06085	0.5
385.75681	0.4
391.22626	5.5
392.22961	0.4
454.83261	0.3
474.22308	0.3
571.28992	100.0
572.29315	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	571.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20217	0.9
56.35198	0.9
59.01264	24.4
61.98713	3.6
66.53752	1.0
71.01254	4.5
71.83430	0.8
78.95785	1.9
83.04909	1.0
85.02838	1.1
89.02325	2.9
96.95905	1.4
98.19839	2.4
101.02348	3.5
103.24333	0.9
113.02348	1.7
119.03428	1.7
136.61447	0.9
152.99500	1.2
161.04492	2.6
231.21077	1.7
235.08203	2.2
253.09314	18.2
254.09607	0.9
255.23148	1.2
275.20212	100.0
276.20529	8.6
287.22314	2.7
349.86368	1.0
398.29282	0.9
571.28040	2.4
571.36267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
64.31296	0.4
65.96984	0.3
69.95148	0.8
69.95572	1.4
78.95792	67.0
96.96862	12.5
98.20573	0.4
130.20340	0.4
134.98367	0.4
136.75388	0.4
150.97954	1.2
152.99522	60.9
153.99863	0.7
171.00650	0.9
179.59233	0.4
223.00168	2.5
241.01210	33.1
242.01595	1.0
248.86884	0.4
255.23326	75.8
256.23627	6.5
256.26083	0.7
259.02209	0.9
310.81729	0.4
315.04932	8.1
316.05035	0.5
336.73593	0.4
391.22565	4.8
500.37961	0.4
571.28998	100.0
572.29340	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	571.241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76695	1.2
55.01775	1.5
57.03345	2.2
59.01267	100.0
60.52728	1.1
61.98714	4.3
69.03346	3.4
71.01272	53.0
71.51398	2.5
72.01614	1.7
72.99194	3.8
73.02838	65.3
75.00771	2.1
80.44623	1.0
83.01277	24.8
85.02837	7.5
87.00780	2.8
89.02347	12.0
93.03407	1.7
96.86149	1.1
96.95932	6.4
97.02871	2.0
99.00784	3.9
99.04417	3.5
101.02346	57.2
102.02689	1.6
109.02830	2.1
111.00821	1.7
113.02356	14.2
119.03407	4.0
119.04922	2.1
121.02897	2.1
125.02393	7.8
125.05965	1.2
131.03433	4.1
135.04401	1.6
140.39058	1.2
143.03439	4.9
149.04514	9.2
151.00359	1.6
151.03909	1.3
152.01144	1.7
155.03427	1.7
161.04520	15.7
163.95821	1.2
165.05487	1.7
166.02527	1.4
181.05049	1.6
183.06496	1.3
187.11237	2.0
203.05550	1.9
218.12251	1.2
221.06645	5.2
225.05896	2.0
227.14404	4.9
231.13840	1.6
245.15500	95.8
246.15828	9.1
275.47772	1.3
287.16592	21.2
288.16940	2.0
311.30228	1.3
316.34698	1.2
454.19574	1.6
467.23007	6.6
509.24042	15.3
510.24521	4.3
527.25256	1.5
571.20135	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	2.1
61.98721	1.5
65.03849	0.8
67.01778	0.8
71.01266	0.5
77.49323	0.2
79.05430	0.3
79.95665	0.3
80.96406	0.9
81.29135	0.3
83.01288	0.2
85.02897	0.3
91.05433	3.4
93.03368	1.1
94.98001	0.3
95.01275	0.4
96.14927	0.2
96.95913	0.5
97.02882	0.5
101.02395	0.6
101.06689	0.2
107.04946	0.4
108.02078	1.1
109.02863	12.7
110.03197	0.3
121.02876	11.8
122.03193	0.3
125.02388	0.5
131.08604	0.4
133.02847	0.6
133.06528	0.8
134.03667	0.9
135.04451	42.3
136.04774	1.8
141.07057	0.3
145.02875	0.3
145.06522	0.6
146.03659	0.4
147.04475	2.8
147.08124	2.3
148.05280	0.3
149.06026	0.9
153.05421	0.3
157.06596	0.2
157.10236	0.6
159.04410	1.1
159.08139	0.7
160.05263	0.3
161.06004	1.7
163.07590	0.4
164.98512	0.3
169.06557	0.7
171.04434	1.3
172.05223	0.7
173.06058	1.9
174.06805	0.9
175.07613	6.5
176.08017	0.4
183.08179	0.3
185.06078	2.5
186.06773	0.4
187.07625	10.2
188.07996	1.1
189.05614	0.6
189.09175	7.6
190.09544	0.6
197.06192	0.3
199.07666	1.7
200.07893	0.3
201.09193	31.9
202.09554	2.3
209.06041	0.3
209.11830	0.7
213.09177	4.4
214.09938	1.4
225.00722	0.4
225.05574	0.3
228.04312	0.4
231.06548	0.3
235.11372	0.3
253.04993	0.6
253.12465	0.6
254.05823	0.7
255.13895	0.3
263.07584	0.2
263.10742	0.3
267.06625	0.4
268.07520	0.3
275.20169	0.4
280.07367	0.3
281.11932	0.6
287.12976	1.0
305.11801	0.8
307.09741	0.4
308.10681	0.6
315.12521	0.7
323.12952	100.0
324.13306	12.1
324.16534	0.2
363.55121	0.3
467.17007	0.6
485.18375	0.5
527.19360	19.8
528.19647	3.9
571.27734	1.9
571.35754	0.3
572.28223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51281	0.5
59.01267	5.8
60.70815	0.4
61.98727	3.4
65.03844	0.7
71.01256	1.2
73.02853	0.5
73.92905	0.5
75.00758	0.5
85.02835	0.6
89.02328	0.6
91.05430	1.7
93.01148	0.4
93.03361	1.0
95.01292	1.1
96.95893	0.7
101.02335	1.1
108.02094	0.9
109.02150	0.8
109.02860	9.8
111.55515	0.4
113.02335	0.7
115.07472	0.4
116.80628	0.4
119.04952	0.5
120.20325	0.4
121.02088	0.6
121.02879	5.3
125.02406	0.7
126.71931	0.4
127.69551	0.5
133.02867	0.7
134.03601	0.7
135.04453	22.4
136.04814	0.8
145.06602	0.5
147.04443	1.7
149.06012	1.0
159.04515	0.7
161.06018	1.8
169.06604	0.4
171.04475	0.7
172.05254	0.7
173.06030	1.5
174.06801	0.8
175.04018	0.4
175.07660	3.3
185.06044	1.3
187.07620	5.8
189.09196	2.5
199.07608	0.9
199.45012	0.4
201.09201	15.8
201.11090	0.8
202.09526	1.2
209.11844	1.1
210.06610	0.5
213.09189	3.7
214.09918	1.6
222.28307	0.4
228.04404	0.5
253.12308	0.5
268.07379	0.6
270.56491	0.5
281.11789	0.7
305.12006	0.9
323.12967	100.0
324.13275	8.8
351.08817	2.0
352.09555	0.6
367.11841	0.8
409.12961	1.2
556.16156	0.9
571.18188	9.0
571.33240	0.7
572.18610	1.9
599.16028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.2
59.01262	2.6
61.98713	2.3
66.89128	0.2
71.01254	0.9
71.52365	0.3
73.02851	0.2
78.95802	1.2
83.01258	0.3
85.02849	0.4
87.00799	0.4
89.02346	0.5
93.03365	0.4
96.96887	0.2
101.02348	0.6
109.02868	0.3
113.02341	0.4
119.01299	0.5
119.04890	0.3
121.02879	1.5
123.04459	0.3
125.02361	0.5
131.04938	0.3
133.02890	0.9
134.03679	0.4
134.31488	0.2
135.04428	0.8
137.02441	0.2
143.08635	0.2
145.02892	0.4
147.00851	0.3
147.04478	0.4
148.01598	0.3
149.02382	0.7
149.04451	0.2
150.03174	0.2
151.03983	0.4
157.06552	0.5
161.02409	1.2
161.04506	0.2
162.03165	0.4
163.03923	0.5
165.05563	0.3
169.06506	0.3
171.08073	0.2
172.63036	0.2
173.05974	0.2
175.02431	0.4
175.07700	0.2
177.01845	0.2
181.06573	0.7
182.90028	0.2
185.06123	0.4
187.07669	1.3
189.01898	0.4
197.05978	0.2
199.07637	4.8
200.08029	0.3
201.05565	0.3
213.09296	0.2
215.03545	0.2
217.08652	0.3
225.05591	0.5
227.07077	0.3
239.07144	0.4
241.05057	0.6
243.06659	0.4
252.04272	0.3
255.06659	0.2
257.08170	0.2
267.06622	0.3
269.04620	0.2
275.06967	0.2
277.08588	0.3
279.06683	0.2
287.06885	0.2
289.08606	0.3
291.06702	0.2
291.10141	0.3
303.06772	0.3
303.10196	0.3
304.07458	0.2
305.08310	0.4
307.06329	0.3
307.09799	0.2
317.08224	0.4
319.09814	0.6
321.07672	0.2
321.11346	0.2
323.05499	0.3
330.08997	0.3
331.09787	0.5
332.06912	0.3
334.08609	0.2
335.05695	0.3
335.09326	3.6
336.09750	0.3
337.10974	0.3
341.13913	0.3
345.07562	0.2
347.09305	14.6
348.09827	1.9
349.07306	0.4
349.10855	1.7
350.11517	0.2
359.09265	0.4
360.10144	0.2
361.10883	4.8
362.11700	0.4
363.08835	2.5
364.09491	0.8
365.10355	16.9
366.10721	2.4
367.11713	0.3
373.11020	0.5
375.08798	8.6
376.09412	2.2
377.10370	3.6
378.11075	2.0
379.11942	6.0
380.12283	0.6
389.10379	10.7
390.11136	9.1
391.11804	3.0
392.12393	0.3
393.09866	18.8
394.10550	9.3
395.11246	1.7
405.09784	0.6
407.11447	17.4
408.12177	12.3
409.12985	38.7
410.13397	4.4
423.10947	0.5
451.14127	0.3
528.90131	0.3
541.17676	0.3
553.17261	11.0
554.17230	1.4
570.31561	0.3
571.18323	100.0
572.18658	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	569.3013
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
55.71965	0.5
59.01261	0.9
63.96125	1.3
70.70972	1.4
71.01265	6.0
72.99238	0.5
73.02833	1.6
78.98492	5.0
79.95627	7.2
80.96410	55.7
81.03343	0.7
81.68568	0.5
83.80379	0.5
85.02832	2.0
87.00757	2.3
94.97982	13.2
95.16814	0.5
96.95923	0.8
97.02859	1.4
101.02336	2.0
106.98008	2.4
116.86122	0.4
122.97497	3.0
125.02369	2.4
127.03942	0.9
131.87343	0.4
134.97527	4.5
136.99081	1.6
148.99089	5.9
152.98590	5.3
164.98589	10.7
194.58134	0.5
206.99652	2.0
225.00757	15.3
226.01044	0.5
269.24915	1.8
299.04419	2.6
304.55881	0.5
420.51398	0.5
440.48322	0.5
569.30127	100.0
570.30548	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	571.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.5
61.98721	0.3
67.69004	0.1
68.99725	0.1
69.65681	0.2
69.66092	0.6
71.01272	0.1
79.05407	0.6
85.02843	0.2
93.03366	0.3
101.02329	0.1
103.05437	0.4
107.04929	1.6
107.05624	0.2
108.02060	0.2
109.02861	0.4
117.03399	0.2
119.01293	1.7
121.02868	0.9
121.87050	0.1
122.03709	0.1
123.04442	0.4
131.04941	0.6
131.08578	0.1
132.02155	0.3
133.02882	1.8
134.03682	0.1
134.99210	0.1
135.04434	0.3
145.02818	0.3
145.06544	0.1
147.00816	3.3
147.04456	0.2
148.01624	0.7
149.02380	0.6
149.06027	0.2
150.03172	0.2
151.03979	0.2
153.05484	0.1
155.08633	0.2
157.06514	0.3
159.04460	0.3
159.08131	0.2
160.01572	0.1
161.02367	1.1
161.06021	0.1
162.03151	1.3
163.03903	0.3
165.05618	0.1
165.41885	0.1
171.04425	0.2
171.08096	0.4
172.05173	0.3
173.02408	0.3
173.05995	0.3
173.09651	0.4
174.03157	0.1
175.03972	0.5
175.07599	0.3
177.01889	0.2
183.04453	0.2
183.08141	0.2
185.06062	0.5
186.06744	0.1
187.03958	0.2
187.07620	0.5
195.04475	0.1
196.05194	0.2
197.06030	0.3
198.03166	0.2
199.03891	0.2
199.07651	0.6
200.04718	0.2
201.05565	0.7
201.09076	0.1
202.06372	0.2
203.03427	0.1
203.07159	0.3
208.05247	0.1
209.06042	0.3
210.06650	0.1
211.03937	0.4
211.07597	0.3
212.04736	0.2
213.05585	0.5
214.02599	0.2
214.06320	0.3
215.03500	0.4
215.07083	1.0
217.08658	2.2
218.09055	0.2
223.07718	0.2
224.04745	0.1
225.05623	0.4
226.02721	0.3
226.06387	0.1
227.03554	0.5
227.07190	0.6
228.04167	0.2
229.05025	0.7
230.05798	0.2
231.06451	0.8
233.09779	0.1
234.10640	0.1
235.07565	0.2
235.11237	0.1
236.04840	0.2
237.05560	0.3
238.06497	0.1
239.03400	0.2
239.07170	0.3
240.04305	0.3
241.05020	0.8
242.02184	0.2
242.05879	0.4
243.03040	0.1
243.06612	0.6
245.08060	0.9
246.08746	0.2
247.07758	0.3
247.11191	0.3
248.08485	0.3
249.05516	0.2
249.09277	0.3
250.06453	0.1
251.07167	0.2
253.04955	0.3
254.05835	0.3
255.03117	0.2
255.06538	0.8
256.03754	0.2
256.07312	0.6
257.04614	0.9
257.07898	0.2
258.05292	0.3
259.05859	0.7
259.11270	0.2
260.06546	0.2
261.05368	0.1
261.07452	0.2
261.09625	0.2
262.06339	0.2
263.07083	0.2
263.10809	0.6
264.07666	0.1
265.05124	0.3
266.05579	0.2
267.06677	0.5
268.03882	0.1
268.07388	0.2
269.04648	0.2
270.05307	0.2
271.06198	0.3
272.08557	0.1
273.09308	0.3
274.10211	0.3
275.07114	0.5
275.10730	0.6
276.07889	0.5
276.11346	0.2
277.05066	0.2
277.08676	0.4
277.12033	0.1
278.06406	0.2
278.09412	0.2
279.02960	0.1
279.06607	0.2
279.10233	0.2
281.04700	0.2
281.08170	0.1
283.06085	0.1
285.04248	0.5
286.04297	0.1
286.08646	0.2
287.05927	0.2
287.10718	0.3
288.07840	0.2
289.08737	0.6
289.11862	0.1
290.06201	0.2
290.09546	0.5
291.03586	0.1
291.06763	0.6
291.10349	1.6
291.13708	0.2
292.07370	0.3
292.10623	0.3
293.04971	0.2
293.08212	0.3
293.11844	0.3
294.05273	0.1
294.08853	0.2
295.06140	0.2
299.05786	0.1
299.76187	0.1
300.06680	0.3
301.09012	0.3
302.09341	0.2
303.06726	0.4
303.10394	0.8
304.07349	0.6
304.10992	0.3
305.04581	0.4
305.08218	0.7
305.11887	0.7
306.05505	0.2
306.09012	0.3
306.12225	0.3
307.06332	0.2
307.09805	0.7
307.12927	0.1
309.07825	0.2
311.05511	0.2
316.07346	0.2
317.04660	0.2
317.08173	1.4
317.11630	0.2
318.05493	0.1
318.08878	0.5
319.06131	0.4
319.09808	1.7
320.06750	0.3
320.10486	0.6
321.04190	0.2
321.07767	0.3
321.11380	1.2
322.11819	0.3
323.05649	0.9
323.09085	0.2
324.05966	0.2
329.08282	0.9
330.09088	0.3
331.06158	0.3
331.09692	1.5
332.06754	0.5
332.10464	0.3
333.04257	0.2
333.07620	0.5
333.11493	0.6
334.08456	0.5
334.12085	0.2
335.05658	1.2
335.09329	5.4
335.12646	0.3
336.06192	0.2
336.09769	0.7
337.07114	0.4
337.10928	1.1
338.11157	0.2
343.09805	0.4
345.07770	0.4
345.11716	0.2
346.08386	0.3
347.05688	0.8
347.09290	10.1
348.06198	0.2
348.09872	1.8
349.07159	0.5
349.10861	4.6
350.07553	0.2
350.11438	1.3
351.08655	0.3
351.12408	0.2
353.06680	0.8
357.07819	0.2
359.09329	1.3
360.09781	0.8
361.07303	0.2
361.10907	2.9
362.11398	0.5
363.08777	3.5
363.12375	0.2
364.09320	1.2
364.13089	0.8
365.10342	21.5
366.07147	0.2
366.10794	4.2
367.08096	0.3
367.11896	0.2
371.09317	0.9
372.10004	0.1
373.11011	0.4
375.08789	2.8
376.09402	1.3
377.10342	5.1
378.06241	0.2
378.11081	4.0
379.11942	7.2
380.12494	1.9
381.13489	0.5
387.08807	0.2
388.09470	0.1
389.10391	5.1
390.10950	2.3
391.07477	0.2
391.12006	1.8
392.12671	0.2
393.09860	31.3
394.10458	11.4
395.11221	1.8
396.12015	0.1
405.10013	0.3
407.11426	15.6
408.12140	13.8
409.12958	60.7
410.13315	8.7
420.10455	0.1
423.10934	0.4
427.85602	0.1
451.13919	0.3
463.13135	0.1
541.17407	0.4
543.18726	0.3
553.17371	0.8
571.18280	100.0
572.18604	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28658	0.3
55.01764	0.4
57.03337	6.0
59.01268	10.9
60.01577	0.4
61.98716	7.4
69.03345	11.4
69.21563	0.3
71.01268	8.4
71.04913	2.0
71.52074	0.5
72.99199	1.6
73.02830	2.9
75.00757	0.6
78.16771	0.3
83.01270	2.2
83.04919	0.4
84.63136	0.3
85.02849	5.8
87.00764	1.8
87.35799	0.3
89.02330	1.8
90.71651	0.3
91.86710	0.4
93.03360	0.4
95.01286	0.9
96.95911	0.5
97.02866	1.1
97.06473	0.3
99.00781	1.9
101.02347	6.1
108.02076	0.8
109.02850	1.2
111.00755	0.6
111.04424	0.4
111.08067	2.1
112.01528	0.3
113.02357	7.1
113.05974	0.7
115.00308	0.3
119.03472	0.6
119.04978	0.5
121.02872	4.0
123.04451	0.4
123.08039	0.6
125.02380	2.8
129.01860	0.4
137.02347	1.2
139.00426	0.3
139.11218	24.2
140.11543	1.3
141.01944	0.4
143.03400	1.0
145.04884	0.4
149.02374	0.3
149.05939	0.4
151.00291	0.5
152.01083	0.9
153.01901	0.6
161.02419	0.4
161.04515	3.9
165.09224	0.4
174.08659	0.3
175.03998	0.6
177.01881	0.4
181.05072	0.4
183.10228	100.0
184.10555	5.2
203.07086	0.4
205.05141	0.3
213.05544	0.3
215.05554	0.6
269.04492	0.4
269.10349	3.1
270.10959	0.5
311.11472	1.0
367.08093	0.4
374.86044	0.3
383.13553	8.1
384.14087	0.7
401.14606	16.2
402.14828	1.9
408.43436	0.3
463.31802	0.7
485.75180	0.9
507.35654	1.5
567.32123	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.6
59.01270	6.4
61.98718	100.0
70.15948	1.3
71.01271	2.5
72.99223	0.3
73.02843	0.8
83.01297	0.6
85.02885	1.4
87.00771	0.5
89.02345	0.8
95.44094	0.3
96.95921	0.6
98.19903	0.4
99.00770	0.3
100.45517	0.3
101.02348	1.3
108.02113	0.3
113.02384	1.4
116.49567	0.2
117.25656	0.3
119.03381	0.4
119.04948	0.6
121.02895	1.0
125.02379	0.6
126.87499	0.3
131.67453	0.3
135.04449	0.3
145.02936	0.4
151.00342	0.3
153.05653	0.3
161.04495	0.7
208.87549	0.3
243.43550	0.3
269.04715	0.4
337.72128	0.3
507.35666	2.5
508.35571	1.7
567.30664	0.4
568.32135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70482	0.5
55.01761	0.7
57.03308	1.3
59.01265	4.3
61.98701	1.5
65.03824	0.5
67.07261	0.6
67.69913	0.5
68.58479	0.6
68.99684	1.5
69.03308	1.4
69.51158	3.8
71.01275	7.5
72.99171	1.0
73.02805	1.9
75.00726	1.0
81.03352	10.3
83.01267	8.1
83.04862	0.7
85.02851	2.9
87.00745	0.6
89.02288	1.1
93.03345	7.6
95.01283	4.3
95.04924	5.4
97.02854	6.7
99.00761	1.1
99.04432	2.8
101.02350	3.1
103.00238	0.6
107.01305	1.0
107.04901	2.6
108.02052	1.3
109.02884	4.9
109.06454	1.5
110.30939	0.6
111.00755	0.9
111.04431	3.3
113.02394	3.4
117.03359	0.8
119.04942	12.5
120.05212	0.6
121.02863	4.6
121.06478	1.7
123.00805	1.0
123.04437	16.5
124.01528	0.6
124.04749	0.8
125.01473	1.0
125.02370	17.6
126.02695	1.3
131.04919	0.8
135.04437	6.7
137.01453	0.6
137.02386	8.5
137.06020	7.5
138.06377	0.7
139.03944	13.2
141.05482	0.8
143.04900	0.6
145.02850	1.4
145.06525	0.9
147.04463	3.6
147.95491	0.6
149.02350	1.7
149.06044	2.7
150.03120	1.2
151.00247	0.8
151.03020	0.6
151.03946	5.8
151.07607	0.7
152.01114	0.8
153.05560	2.8
155.03426	2.1
161.02403	1.1
161.06001	2.5
163.03958	3.3
163.07539	2.1
164.04622	1.9
165.01831	1.7
165.05540	8.7
166.02602	1.7
167.03461	38.1
168.03754	1.6
173.06056	0.9
175.03973	1.2
177.01845	2.7
177.05469	3.7
179.03476	11.6
179.07100	1.3
179.82025	0.5
180.04097	2.0
181.05034	3.7
185.06119	0.6
188.04601	0.8
189.01967	0.6
189.03969	1.0
189.05544	10.1
190.05916	0.6
191.03470	4.1
191.07088	0.9
192.04131	0.8
193.05020	7.3
194.05608	0.9
195.06558	1.0
197.04546	7.4
198.04865	0.6
201.05603	0.9
203.03505	0.7
205.04990	1.4
207.06599	2.3
209.04558	30.9
210.04839	2.5
215.07162	0.9
219.03003	1.9
219.06627	1.0
221.04559	7.9
223.06102	1.1
229.08722	2.3
231.06532	1.4
233.04521	2.0
235.06046	1.5
238.52321	0.6
239.05618	15.1
241.05019	2.2
241.08751	0.7
247.09712	1.1
251.05626	6.6
259.06223	3.8
263.05640	3.1
269.06635	3.9
273.07706	5.2
274.08054	0.7
281.06778	2.4
285.07700	3.0
285.10867	0.8
290.14053	0.9
293.06766	1.5
315.08823	22.9
316.09152	1.7
323.08029	0.7
327.08777	9.0
328.09280	1.4
341.10150	1.4
345.09924	11.0
346.10080	0.9
355.08411	0.8
357.09863	98.3
358.10278	10.7
369.09872	5.3
371.11438	1.2
385.09293	0.6
386.56592	0.6
387.10938	100.0
388.11261	11.3
399.10910	4.2
411.10995	1.5
417.12027	34.4
418.12180	5.0
429.12042	12.6
430.12717	1.0
441.12000	2.2
447.13086	20.8
448.13147	3.7
459.13028	11.0
460.13458	1.4
471.12833	0.8
477.14114	14.8
478.14642	2.4
489.14212	3.6
490.14349	1.5
507.15225	1.9
531.15411	1.1
549.16241	4.6
549.33484	1.1
567.17395	20.7
567.26001	1.9
567.33899	4.9
568.17719	4.1
568.34546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76323	0.6
51.15364	0.5
55.01775	0.8
57.03331	1.4
59.01262	4.5
61.98417	0.8
61.98718	9.0
62.36202	0.4
65.03805	0.6
65.81148	0.4
67.01775	1.1
67.06477	0.6
68.99696	1.7
69.03337	1.3
70.56159	0.4
70.56516	1.4
70.56873	0.7
71.00964	0.5
71.01279	5.2
72.47673	0.6
72.99189	1.6
73.02837	3.0
75.00723	0.4
81.03345	8.9
83.01272	8.9
83.04930	0.8
85.02834	3.6
87.00764	0.8
89.02338	1.6
91.05436	0.6
93.03358	38.4
94.03694	1.1
95.01285	4.4
95.04933	6.0
97.02855	6.0
99.00791	1.6
99.04416	3.5
101.02352	2.9
107.01318	0.9
107.04917	2.6
108.02079	18.2
109.02872	9.4
109.06503	1.3
110.03233	0.5
111.00786	1.0
111.04420	4.1
113.02364	4.5
119.04943	13.3
121.02862	4.9
121.06483	1.6
122.03668	1.4
122.71502	0.5
123.00820	1.2
123.04438	18.7
124.04730	0.9
125.01445	0.9
125.02365	16.6
125.05984	0.7
126.02708	0.7
131.04962	0.6
133.06537	0.6
135.04449	6.4
137.02377	41.0
137.06006	9.1
138.02725	1.6
139.03937	14.6
141.01843	0.8
141.05466	0.9
145.02895	0.6
145.06506	1.0
147.04475	3.6
149.02368	2.2
149.06009	3.2
150.03052	1.1
151.00282	0.9
151.03938	5.9
151.07602	0.8
152.01091	37.5
153.01932	3.0
153.05537	2.8
155.03429	2.0
159.04463	0.7
161.02362	2.7
161.06018	1.4
163.00294	1.0
163.03940	6.2
163.07556	1.9
164.04665	1.4
165.01888	3.1
165.05524	9.4
166.02614	1.6
167.03445	37.4
168.03793	1.7
171.04340	0.6
175.03975	1.3
175.07564	0.6
176.04724	1.4
177.01933	1.6
177.05508	4.6
179.03452	15.9
179.07115	1.8
180.04187	2.3
181.04980	3.3
189.05545	9.1
190.05969	0.9
191.03470	3.4
191.07085	1.6
193.05022	6.5
194.05782	4.5
195.06596	2.0
197.04562	7.6
203.03465	1.2
205.01395	0.9
205.05038	1.7
206.02164	0.5
207.02983	1.4
207.06578	1.8
209.04546	29.9
209.08107	9.8
210.04819	1.6
210.08472	0.6
219.02965	2.0
219.06514	1.2
220.03581	1.0
221.04509	6.3
223.06143	1.9
229.08658	1.4
231.03143	0.6
231.06668	1.1
233.04568	2.1
235.06110	1.6
239.05626	15.2
240.05957	0.9
243.06575	0.6
251.05681	5.9
258.01779	0.6
258.87463	0.5
259.02408	0.9
261.17038	0.5
261.95917	0.5
263.05627	2.2
269.06723	3.9
271.06183	0.7
271.09717	0.9
272.06741	0.6
273.07748	5.5
281.06738	1.8
285.07681	2.1
293.06882	0.8
315.08838	20.8
316.09027	1.7
327.08826	8.1
328.09265	1.1
329.10193	1.0
341.10358	2.3
345.09824	8.9
346.10202	0.9
354.07443	0.6
355.08173	1.4
357.09857	100.0
358.10239	11.7
369.09830	5.2
371.11362	1.3
381.10037	0.9
383.11264	1.0
387.10934	92.3
388.11276	10.7
393.75739	0.6
399.10861	4.1
405.15781	1.1
411.10709	1.9
417.06201	1.1
417.11978	30.6
418.12405	3.3
429.10657	36.0
430.11411	4.0
441.12033	1.4
447.13007	18.8
448.13492	2.7
459.13077	10.1
460.13263	1.4
471.13080	0.9
477.14105	12.8
478.14395	2.1
489.14142	3.9
490.14423	0.7
507.14792	1.6
531.15234	1.0
549.16058	2.8
549.32764	1.4
550.16211	0.5
567.13708	22.1
567.33557	7.5
568.13776	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99572	0.6
55.01765	0.8
57.03341	1.5
59.01266	4.5
59.12992	0.6
59.18704	0.6
61.98715	13.1
64.28285	0.6
65.03866	1.8
68.99706	0.7
69.03350	0.8
69.70291	2.1
69.70705	1.6
71.01272	5.4
72.99203	2.1
73.02837	2.3
81.03356	3.7
83.01270	3.7
85.02847	5.2
87.00781	0.7
89.02341	1.4
93.03360	79.0
94.03701	2.4
95.01309	1.8
95.04943	1.8
97.02846	3.0
99.00803	1.5
99.04440	1.4
101.02353	2.7
101.12955	0.6
107.01297	1.1
107.04986	1.0
108.02079	46.1
109.02258	0.8
109.02891	13.0
111.04412	1.4
113.02373	4.5
119.04932	5.4
121.02881	1.8
121.06551	0.8
122.03716	0.6
123.00835	1.6
123.04434	7.0
125.02378	6.5
134.03639	0.8
135.00822	0.8
135.04488	2.5
137.02377	98.3
137.05963	3.3
138.02724	3.4
139.03944	3.7
145.02875	1.1
145.04927	0.7
147.04500	2.4
149.02364	0.7
149.06012	1.2
151.00278	1.9
151.03978	2.0
152.01093	100.0
153.01855	6.5
161.02370	2.0
163.00313	2.0
163.03947	4.5
165.01823	1.8
165.05516	2.1
167.03473	11.3
170.98386	0.6
175.03917	0.7
177.01857	3.0
177.05502	1.7
179.03474	4.1
181.05046	1.4
189.05493	2.3
191.03484	1.4
193.05035	2.2
195.06615	0.6
197.04524	2.3
203.03638	0.7
205.04991	1.1
207.02919	0.8
209.04570	8.7
209.08255	1.2
219.03014	0.8
221.04529	2.6
223.06195	1.0
228.64587	0.7
229.26199	0.7
231.06461	0.9
239.05649	5.1
241.05072	2.3
243.81927	0.7
251.05688	1.8
259.06125	2.7
273.07764	1.4
285.07690	0.9
297.06192	1.1
315.09061	6.0
327.08881	3.2
345.09924	3.1
357.09879	35.3
358.10104	2.8
369.09839	1.3
384.82730	0.7
387.10950	33.3
388.11447	3.5
399.10892	1.4
417.12027	11.5
429.10483	94.5
430.10834	11.0
447.12689	8.4
459.13046	3.5
477.14188	6.8
478.15027	0.9
489.14063	2.0
549.32678	0.9
567.13513	64.0
567.33191	5.6
568.13806	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03337	0.5
59.01257	3.2
61.98717	2.7
65.62970	0.4
69.03346	0.7
71.01274	4.4
72.99197	1.2
73.02853	1.1
83.01301	0.8
85.02827	2.9
87.00772	0.9
89.02338	1.1
93.03360	18.2
94.03711	0.8
95.01296	1.3
99.00787	1.6
101.02338	2.8
103.30429	0.4
108.02078	53.1
108.91109	0.4
109.02905	9.9
111.00734	0.5
111.24306	0.4
113.02351	1.9
121.02877	1.9
123.00810	1.2
123.04456	0.8
124.96012	0.4
125.02399	0.7
134.03662	0.6
135.04437	1.2
136.01642	0.7
137.02373	24.5
138.02721	1.0
145.02853	0.5
147.04422	0.7
149.02383	0.8
151.00278	1.1
151.03940	1.7
152.01094	100.0
153.01761	4.5
161.02368	1.0
161.04500	0.9
163.03990	4.8
166.02621	1.2
175.03889	0.5
177.01949	1.2
179.03470	1.5
181.05031	1.7
182.56818	0.4
195.06657	0.5
207.02989	0.6
208.45808	0.4
209.04471	0.6
229.11545	0.4
271.08139	0.5
282.05444	2.1
297.07974	2.9
298.07840	0.8
299.08408	0.6
312.06821	0.6
312.10089	3.1
315.07352	1.5
327.08527	0.6
327.12375	5.5
328.12613	0.6
354.06900	0.6
355.07486	1.6
356.07587	1.2
357.07687	0.6
357.13486	0.9
375.14481	3.9
385.08261	0.7
386.08533	0.5
387.09048	0.7
387.14343	0.7
405.15735	1.0
429.10471	14.1
429.16431	0.7
430.10666	1.4
447.11597	12.9
448.11722	1.7
566.14972	1.8
567.13788	80.9
568.14056	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	566.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.3
59.01264	7.5
59.65034	0.1
60.01604	0.2
61.98716	100.0
62.98421	0.2
68.99707	0.1
69.03324	0.1
69.25959	0.5
69.26387	0.6
71.01272	2.7
72.01604	0.3
72.99200	0.2
73.02824	0.7
75.00771	0.4
83.01308	0.4
85.02856	1.1
87.00796	0.2
88.98695	0.3
89.02336	1.4
90.02667	0.2
91.02737	0.1
91.54919	0.1
93.03413	0.1
94.38654	0.1
95.01312	0.2
97.02882	0.1
98.02412	0.1
98.20526	0.2
99.00785	0.5
101.02348	1.6
102.02717	0.2
109.02886	0.2
113.02359	0.9
114.03970	0.1
119.03443	0.4
119.04945	0.2
121.02878	0.4
125.02377	0.3
131.03430	0.2
135.04471	1.2
136.04895	0.1
137.02377	0.3
138.05603	0.1
142.68138	0.1
143.03435	0.2
149.04539	0.3
150.04771	0.1
151.00334	0.1
151.03960	0.3
151.05032	0.1
152.01086	0.3
153.01863	0.2
161.04568	0.3
163.03932	0.8
164.04330	0.2
175.07732	0.1
176.08444	0.4
177.09149	0.9
178.06398	0.3
179.06773	0.2
191.07117	0.2
193.08691	0.5
194.09053	0.2
253.94913	0.1
257.15503	0.1
274.15839	0.6
275.16623	1.3
287.22318	0.2
293.04922	0.1
315.12744	0.1
316.12872	0.3
317.13205	0.2
318.13300	0.1
369.09836	0.3
372.13620	0.1
479.22409	0.2
505.33746	0.6
506.27457	0.2
506.34335	1.1
523.21985	0.3
524.35455	0.3
536.27509	0.9
536.77759	0.4
537.28278	0.1
566.19025	0.3
566.32294	0.6
567.24200	0.1
567.33887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98061	0.1
51.73903	0.2
51.79057	0.2
57.03325	0.2
59.01263	3.6
60.01594	0.2
61.98715	100.0
62.18270	0.1
69.29459	1.4
71.01271	2.4
72.99206	0.5
73.02839	0.8
75.00774	0.2
81.03367	0.2
83.01289	0.4
85.02841	0.4
87.00777	0.6
88.98743	0.3
89.02332	3.1
89.57401	0.2
90.02673	0.3
91.02780	0.2
93.03377	0.4
95.01270	0.2
99.00774	0.8
101.02349	1.9
108.02107	0.5
109.02888	0.4
111.00799	0.5
113.02369	0.7
113.99506	1.3
115.00293	0.7
116.92797	0.3
119.03438	0.6
119.04943	0.3
121.02892	0.4
122.03677	0.2
122.59975	0.2
123.00830	0.3
125.02386	0.9
131.03429	0.3
134.03758	0.2
137.02419	0.5
139.00308	0.2
149.02411	0.3
149.04509	0.9
149.06058	0.2
150.03163	1.0
151.00325	0.4
152.01123	0.4
153.01895	0.3
153.05547	0.2
156.00616	0.6
160.03952	0.2
161.02376	0.3
161.04587	0.3
162.03198	0.2
163.03978	0.3
165.05511	1.0
174.01656	4.1
175.02107	0.7
175.03952	0.2
176.83371	0.2
177.01927	0.4
177.05486	0.3
179.03311	0.3
179.05579	0.3
181.01451	0.3
183.03116	0.2
184.06204	0.2
188.27101	0.2
191.03584	0.2
191.05635	0.3
193.05049	0.5
194.05461	0.4
195.06647	0.8
197.04599	0.6
209.08194	0.3
239.05624	0.2
265.97482	0.2
271.27209	0.2
284.11807	0.3
285.03970	0.2
298.04752	0.6
299.05151	1.5
300.05432	1.1
301.05917	1.0
328.05511	0.3
329.05954	0.3
330.06030	0.3
337.09418	0.1
358.06912	0.2
359.06729	0.4
360.06949	0.2
362.16721	0.3
402.08252	0.2
429.10522	0.2
469.21301	0.5
470.21487	0.6
474.11435	0.3
475.11682	0.3
476.11835	0.9
498.79556	0.2
506.27200	0.6
530.23810	0.2
566.14423	5.0
566.33557	0.4
567.15948	0.7
567.24774	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	566.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98061	0.1
51.73903	0.2
51.79057	0.2
57.03325	0.2
59.01263	3.6
60.01594	0.2
61.98715	100.0
62.18270	0.1
69.29459	1.4
71.01271	2.4
72.99206	0.5
73.02839	0.8
75.00774	0.2
81.03367	0.2
83.01289	0.4
85.02841	0.4
87.00777	0.6
88.98743	0.3
89.02332	3.1
89.57401	0.2
90.02673	0.3
91.02780	0.2
93.03377	0.4
95.01270	0.2
99.00774	0.8
101.02349	1.9
108.02107	0.5
109.02888	0.4
111.00799	0.5
113.02369	0.7
113.99506	1.3
115.00293	0.7
116.92797	0.3
119.03438	0.6
119.04943	0.3
121.02892	0.4
122.03677	0.2
122.59975	0.2
123.00830	0.3
125.02386	0.9
131.03429	0.3
134.03758	0.2
137.02419	0.5
139.00308	0.2
149.02411	0.3
149.04509	0.9
149.06058	0.2
150.03163	1.0
151.00325	0.4
152.01123	0.4
153.01895	0.3
153.05547	0.2
156.00616	0.6
160.03952	0.2
161.02376	0.3
161.04587	0.3
162.03198	0.2
163.03978	0.3
165.05511	1.0
174.01656	4.1
175.02107	0.7
175.03952	0.2
176.83371	0.2
177.01927	0.4
177.05486	0.3
179.03311	0.3
179.05579	0.3
181.01451	0.3
183.03116	0.2
184.06204	0.2
188.27101	0.2
191.03584	0.2
191.05635	0.3
193.05049	0.5
194.05461	0.4
195.06647	0.8
197.04599	0.6
209.08194	0.3
239.05624	0.2
265.97482	0.2
271.27209	0.2
284.11807	0.3
285.03970	0.2
298.04752	0.6
299.05151	1.5
300.05432	1.1
301.05917	1.0
328.05511	0.3
329.05954	0.3
330.06030	0.3
337.09418	0.1
358.06912	0.2
359.06729	0.4
360.06949	0.2
362.16721	0.3
402.08252	0.2
429.10522	0.2
469.21301	0.5
470.21487	0.6
474.11435	0.3
475.11682	0.3
476.11835	0.9
498.79556	0.2
506.27200	0.6
530.23810	0.2
566.14423	5.0
566.33557	0.4
567.15948	0.7
567.24774	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	565.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.0
57.03342	6.4
58.00474	3.0
59.01264	100.0
61.98421	2.4
61.98713	28.3
69.03324	1.2
71.01269	58.2
71.54420	1.9
72.99176	4.1
73.02831	17.2
75.00764	3.4
78.95796	8.0
83.01276	9.2
85.02843	30.3
85.06449	1.3
87.00765	5.7
88.98634	1.3
89.02331	11.1
93.03354	1.3
95.01263	5.0
96.96870	3.3
97.02825	1.5
99.00764	8.1
101.02345	41.8
109.02828	2.1
111.00755	1.5
113.02363	24.2
115.00323	2.0
119.03405	4.4
119.04918	2.1
125.02355	5.4
133.02872	1.3
135.04407	2.0
137.02324	1.9
142.44838	1.4
143.03418	2.5
143.10695	4.4
145.02910	1.7
149.04433	1.4
151.00273	3.2
151.03954	1.8
159.02919	5.6
161.04512	20.6
169.51695	1.4
179.05559	2.3
187.32756	1.4
240.05597	1.3
255.02861	1.4
271.06046	2.7
313.27420	2.0
343.28632	22.0
344.28943	4.0
461.31067	3.9
462.43185	1.5
479.32098	2.1
505.33942	90.3
506.34055	10.9
544.29089	2.3
565.14417	2.4
565.28619	7.4
565.36676	16.5
565.79517	3.2
566.36853	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94079	0.6
55.01762	1.1
57.03339	2.1
57.78495	0.6
58.00482	3.2
59.01265	69.4
60.01584	1.2
61.01716	0.7
61.98720	34.0
68.81152	0.7
69.03345	0.9
69.98509	3.3
70.03853	0.6
71.01272	54.8
72.01627	1.1
72.99189	4.0
73.02452	1.1
73.02838	14.9
73.03247	1.0
75.00757	1.3
83.01279	1.8
85.02843	7.4
87.00778	2.9
88.98701	0.7
89.02338	100.0
90.02676	2.2
95.01279	1.3
96.95924	2.7
97.02854	1.4
99.00784	24.1
101.02351	37.9
102.02685	1.0
109.02858	0.8
111.00833	0.8
112.18451	0.7
113.02367	11.1
113.99543	0.8
115.03898	1.0
117.03365	1.0
119.03416	7.9
119.04900	3.8
125.02366	7.0
131.02483	1.4
131.03427	19.4
135.04465	1.3
137.02368	1.5
143.03438	2.1
145.02875	2.3
146.03537	0.6
149.04498	72.3
150.04845	2.6
151.00294	1.4
151.03928	1.0
156.42427	0.6
161.02344	1.3
161.04488	3.4
163.03957	4.4
166.93112	0.7
174.01665	2.3
174.03044	0.7
179.03477	1.1
179.05560	3.3
179.07016	1.2
191.05586	16.9
193.04941	0.9
194.05885	0.9
209.08203	1.8
221.06567	4.4
222.07083	0.7
251.07722	7.9
271.06128	1.6
275.07675	0.9
281.08707	0.9
293.08859	2.0
311.09866	2.7
359.14935	1.0
403.14209	1.7
424.77344	0.8
475.11414	1.0
505.26672	66.7
506.26941	11.7
559.89679	0.7
565.13965	3.8
565.32965	3.5
566.32568	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	565.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29277	0.9
55.01765	2.0
57.03333	2.4
59.01265	100.0
60.01593	1.0
61.98719	22.0
68.78598	0.8
69.03337	1.1
71.00909	1.7
71.01273	23.5
71.04903	1.0
71.51424	1.2
72.99196	2.3
73.02844	8.2
75.00742	1.1
78.53038	0.8
83.01288	5.1
85.02840	13.4
87.00774	2.2
89.02320	4.6
93.03363	1.6
95.01287	2.7
96.95901	1.9
97.02842	1.3
99.00762	3.6
101.02351	16.4
108.02093	1.1
109.02824	1.0
111.00816	2.6
113.01617	1.3
113.02357	10.5
119.03452	1.3
125.02363	2.6
130.30740	0.9
131.03365	1.0
137.02365	1.2
143.03336	1.0
159.03043	1.1
161.04485	2.6
179.09323	0.8
193.08858	0.9
196.47260	1.0
209.27408	1.0
213.18578	2.2
239.31422	0.9
271.06326	1.2
299.26071	1.1
315.25461	2.6
317.26974	5.6
357.15216	1.1
395.57800	1.1
461.31345	58.6
462.31589	8.3
469.22345	1.5
479.32364	20.3
480.32703	3.8
505.33673	4.8
521.33154	3.9
547.35022	2.5
565.36346	28.3
566.36945	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	565.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	96.7
61.98714	100.0
70.67648	17.8
70.67980	30.3
75.00739	13.6
79.01911	12.1
152.99393	12.8
199.27216	13.8
218.26505	14.2
221.44437	13.0
239.49991	13.8
293.21301	25.2
309.64258	13.7
403.11572	19.6
565.14301	26.6
565.28198	44.5
566.28381	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
61.98717	73.7
63.76637	7.3
69.77515	6.6
69.85483	19.1
69.85892	37.2
71.01279	24.9
73.76427	8.6
78.49591	6.8
78.95798	29.4
87.00807	8.1
88.46716	8.1
89.02351	9.0
96.95926	8.9
98.19804	16.7
109.02849	10.3
125.02376	9.1
134.31070	7.6
171.10292	14.3
201.87949	8.0
205.29266	8.2
249.05304	7.6
253.09091	12.3
275.20428	15.4
293.21332	15.2
317.15710	9.6
355.30692	7.9
565.14185	17.3
565.27759	61.7
566.27863	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.3
61.98716	6.2
63.02286	3.0
65.00205	11.1
66.00542	0.4
71.01275	2.3
71.38905	0.5
72.99200	0.4
73.02843	0.6
83.01270	6.7
85.02847	0.5
89.02341	2.5
93.03356	6.1
101.02328	1.2
107.01295	23.1
108.02111	1.0
113.02377	0.4
117.03385	0.5
119.04942	41.2
120.05269	1.7
121.02904	0.6
125.02371	6.4
135.00743	0.4
135.04420	0.4
136.01584	1.5
137.02319	0.5
141.78761	0.4
143.04993	0.7
145.02899	4.4
149.02551	0.4
149.04543	0.9
150.04768	0.5
151.00307	100.0
152.00655	3.7
161.02394	2.3
161.06026	1.0
164.01096	1.8
165.01851	3.3
169.01408	1.8
175.00320	2.1
177.01904	7.2
185.06030	1.8
187.03972	2.3
193.01419	1.8
196.00064	0.5
199.07599	0.5
203.07143	0.5
205.01353	1.0
222.09045	0.4
227.07190	2.8
229.05043	0.9
235.02406	1.2
265.03766	0.5
269.04535	0.5
270.05350	0.7
271.06171	80.2
272.06473	6.2
287.05658	0.5
295.06186	0.8
295.74411	0.4
313.07245	3.6
314.07117	0.4
325.05734	1.4
343.07373	0.5
373.09366	0.7
403.10291	0.7
445.10095	12.5
446.10764	1.4
565.15717	81.4
566.16058	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	564.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01266	5.1
61.98718	100.0
62.98423	0.2
65.00213	0.4
65.70478	0.2
70.53838	0.4
71.01269	3.2
72.01606	0.3
72.99201	0.6
73.02826	0.9
75.00803	0.3
79.95509	0.1
83.01280	0.5
85.02850	0.9
87.00791	0.4
89.02338	4.1
90.02703	0.4
93.03367	0.9
94.03711	0.2
94.27717	0.2
95.01266	0.2
96.95895	0.5
97.02853	0.2
99.00765	0.6
99.04424	0.4
101.02342	2.1
102.02682	0.3
107.01275	0.7
108.02066	0.3
109.02858	0.4
111.00764	0.2
113.02356	1.2
116.92730	0.3
117.03367	0.7
119.03405	0.5
119.04936	1.8
121.02869	0.3
123.00826	0.2
123.04427	0.1
125.02367	1.5
131.03407	0.7
133.02882	0.2
134.03712	0.3
135.04448	0.3
136.01514	0.2
137.02371	3.5
138.02725	0.7
139.03885	0.2
140.52161	0.2
143.03416	0.2
145.02884	1.5
148.01558	0.2
149.02332	0.4
149.04494	2.3
149.05775	0.3
149.08333	0.2
150.03122	0.2
150.04803	0.4
151.00317	3.2
151.03903	0.4
151.04987	0.3
152.01163	0.2
153.01807	0.5
161.02310	0.4
161.04434	0.4
163.03922	0.6
163.06079	0.4
166.02643	0.2
167.03363	0.2
169.01419	0.2
175.03818	0.3
175.07506	0.2
177.01817	0.5
179.03383	0.4
181.04947	0.4
185.14249	0.2
191.03589	0.2
191.05533	0.4
192.04164	0.3
193.04945	0.3
199.16728	0.2
205.93814	0.2
207.06502	0.4
209.08018	0.3
269.04584	1.4
270.04977	1.9
271.06201	2.7
282.05328	0.2
283.05908	0.4
284.06390	0.4
285.04169	0.2
293.04391	0.3
294.05002	0.3
295.06030	0.6
296.06454	0.7
297.07281	1.0
298.04953	3.6
298.08005	0.7
305.55478	0.2
308.06415	0.4
309.04144	0.2
309.07367	0.4
310.04874	2.5
310.08026	0.3
311.05673	0.4
312.05978	0.6
313.07224	1.0
314.07358	0.4
324.05896	0.5
325.04001	0.2
325.07245	2.2
326.07605	0.9
327.04883	0.3
327.08298	0.5
328.05927	3.2
328.09335	0.2
329.13788	0.2
330.14346	0.9
336.06210	0.3
338.07321	0.7
339.08105	0.4
341.06406	0.7
342.07120	1.1
343.08292	19.9
353.06442	0.6
354.07086	1.8
355.07855	0.4
356.08768	1.0
357.09555	1.0
366.07083	0.4
383.07568	0.5
384.08215	1.8
385.08893	0.4
387.66220	0.2
401.11884	0.4
403.13675	0.6
414.08743	0.6
443.09546	0.2
444.09894	0.5
445.09207	0.2
473.10931	0.4
474.11362	1.4
505.13516	0.2
520.15594	1.8
546.13232	0.3
564.14081	9.4
565.15070	4.0
565.32385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88784	0.2
57.03324	0.4
59.01263	8.6
60.00663	0.2
60.01595	0.7
61.01694	0.4
61.98714	100.0
69.03333	0.3
69.57307	1.3
70.03671	0.2
71.01269	3.5
72.01586	0.3
72.99205	0.4
73.02483	0.2
73.02833	1.3
75.00762	0.3
77.70648	0.2
83.01281	0.6
85.02847	1.1
89.02327	1.5
97.02837	0.3
99.00793	0.5
101.02349	2.0
102.02674	0.3
103.03902	0.7
104.04275	0.2
108.02074	2.1
109.02898	0.6
111.00848	0.3
111.04411	0.2
112.46892	0.2
113.02338	1.0
117.03342	0.3
119.03447	0.3
119.04929	0.5
121.02863	0.3
123.04469	0.2
125.02357	1.6
126.02721	0.4
134.03679	0.8
135.04425	0.6
137.02425	0.2
143.03477	0.4
145.02895	0.8
147.74243	0.2
148.27147	0.2
151.00327	0.4
152.01085	4.5
153.01529	0.9
161.02394	0.3
161.04517	0.5
163.04001	0.7
163.06056	0.5
165.06647	0.3
178.06406	0.3
179.03647	0.2
179.06850	0.3
193.05087	0.9
193.08728	0.3
203.07214	0.3
210.34390	0.2
229.18176	0.3
308.10959	0.2
309.11139	0.3
339.12567	0.6
381.95126	0.3
384.07632	0.3
429.10144	0.3
447.11475	0.4
476.19992	0.2
489.13315	0.3
503.32709	0.4
504.12363	0.2
504.32941	0.6
505.34021	1.4
522.33618	0.3
523.35431	0.5
535.56445	0.2
554.66895	0.2
563.67236	2.4
564.15100	1.7
564.31415	0.4
565.15741	0.3
565.32831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01717	0.9
57.03281	3.3
58.00423	0.5
59.01264	19.5
59.01532	1.3
61.98655	2.0
63.02235	1.2
65.00204	5.0
69.03291	1.7
69.03640	0.4
71.01270	12.0
71.01630	0.5
71.04845	0.7
71.56760	0.7
72.99143	1.0
73.02834	2.9
81.03317	0.8
83.01270	4.4
83.04870	0.7
85.02838	12.1
87.00710	1.7
89.02338	10.6
89.87483	0.3
93.03353	4.0
94.19237	0.4
95.01241	0.9
95.04860	0.8
95.47402	0.3
96.95856	0.9
97.02793	1.7
97.06501	3.0
99.00715	1.5
99.04391	0.5
101.02347	11.2
107.01296	11.3
108.02026	1.3
109.02811	1.5
111.08011	0.4
112.45872	0.4
113.02360	4.5
116.92688	0.4
117.03385	0.7
119.03350	2.4
119.04940	19.8
119.08596	0.5
120.05227	0.8
121.02778	1.1
123.00745	0.5
125.02367	4.6
125.09631	0.9
127.11224	1.7
127.73698	0.4
131.03345	1.6
132.02036	0.6
133.02786	1.1
135.04469	2.2
136.01515	0.7
137.02303	1.4
137.09674	2.4
143.03357	1.2
143.04881	0.6
145.02928	1.9
147.04401	0.5
149.02339	0.6
149.04497	3.0
151.00307	44.3
152.00620	2.0
153.01756	0.5
155.10674	1.0
159.02989	0.6
160.01579	1.4
161.02327	0.8
161.04420	4.4
161.05846	0.9
163.06033	0.5
164.01070	1.0
165.01782	1.4
165.09123	0.3
165.12744	0.4
167.03365	1.6
167.14265	0.7
169.01256	0.9
171.10217	25.2
172.10506	0.8
175.03941	2.4
176.90010	0.4
177.01897	3.2
177.12888	0.7
179.05498	1.4
183.13892	2.5
185.05980	1.1
185.11755	1.0
187.03920	1.2
191.05544	0.8
193.12228	0.8
197.04387	0.4
197.11934	0.4
201.09521	0.4
201.11252	1.7
206.47618	0.4
209.11772	1.1
211.11491	0.7
211.13385	12.6
212.13663	1.1
221.11850	2.1
227.07085	1.3
229.14452	9.6
230.14932	0.6
239.12895	1.7
247.20767	0.4
253.09322	37.0
254.09583	1.6
265.10687	0.6
269.04565	0.5
271.06177	40.4
272.03668	0.5
272.06467	3.7
291.19724	3.8
295.11801	0.4
297.07712	1.1
309.20731	1.9
315.12347	0.8
327.21829	100.0
328.22162	11.1
341.13950	4.1
342.14526	0.7
353.06854	1.3
371.20697	0.6
383.07721	1.0
443.12140	6.9
444.12286	0.5
453.13461	0.4
503.25226	5.1
503.32538	6.0
504.25830	0.8
504.33008	0.6
521.33209	1.8
553.82678	0.4
563.17932	34.9
563.30737	3.5
564.18250	6.7
564.31909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42325	1.0
53.00414	1.2
55.01745	1.2
57.03337	6.0
58.00451	3.2
59.01266	74.3
60.11738	1.3
61.98718	24.0
62.79970	1.3
65.00188	2.2
69.03328	2.4
71.01271	59.9
71.04876	1.7
71.57478	1.3
72.01584	1.5
72.99198	5.9
73.02834	15.6
75.00740	3.2
81.03300	1.5
83.01276	6.9
83.04901	1.7
85.02846	12.8
87.00738	5.4
88.98670	1.5
89.02338	93.4
93.03359	11.2
95.01263	2.4
96.95863	3.6
97.02785	3.9
98.19769	3.0
99.00189	1.8
99.00777	25.0
101.02345	41.0
102.02596	1.4
107.01284	5.8
107.04868	1.3
108.02052	6.9
109.02895	6.3
109.11907	1.2
111.00714	2.3
113.02364	14.1
117.03306	5.5
119.03434	7.3
119.04940	9.1
121.02800	3.8
122.03646	2.2
123.04401	3.8
124.01443	1.3
125.02369	21.8
128.03358	1.3
131.03444	15.0
133.02818	1.6
135.02954	1.3
135.04362	6.9
136.01508	3.6
137.02393	19.6
139.03880	1.1
141.09094	1.7
143.03366	3.1
145.01309	1.1
145.02783	1.8
146.03589	1.7
147.04349	2.2
149.02307	3.6
149.04497	65.5
150.03094	1.6
150.04747	2.4
150.99156	1.6
151.00302	19.2
151.03920	5.8
152.01122	11.1
152.04372	2.4
153.01775	2.2
153.05481	1.8
161.02388	6.0
161.04390	8.4
161.05862	2.7
162.02863	1.2
163.03816	3.8
164.04663	2.5
165.01830	1.4
167.03342	5.3
173.05891	1.3
175.03806	2.5
177.01773	4.2
177.05345	1.4
179.03333	2.5
179.05420	4.3
179.06990	4.3
187.03949	1.5
191.03606	2.0
191.05531	14.9
197.04419	1.3
203.03406	2.6
205.04941	1.8
221.06686	7.1
229.05096	1.2
233.04454	1.6
251.07758	10.0
255.06627	1.8
269.04626	11.0
270.05035	1.9
271.02408	1.1
271.06158	8.9
272.06253	2.1
273.06674	1.3
275.50262	1.1
281.04413	2.1
281.10275	2.6
282.05164	2.0
283.05981	4.5
284.03140	4.1
285.03827	4.8
290.79678	1.6
293.08633	4.3
295.06009	4.2
296.06711	2.3
297.07681	14.2
298.07993	1.5
299.05450	2.4
300.02753	16.8
301.03049	2.3
301.10571	1.5
307.05994	2.3
309.04144	1.8
309.07639	3.5
311.05322	4.1
311.09653	5.2
312.06030	1.6
315.04852	8.9
323.05466	3.2
325.03510	1.5
325.06924	7.4
327.04968	1.7
328.05481	2.2
329.13586	1.7
335.05939	1.5
337.06949	1.5
338.07391	2.2
341.06824	2.7
342.06857	1.6
353.06747	29.1
354.06924	3.5
357.13324	2.0
358.13620	1.8
359.13953	3.7
365.06375	4.5
374.89880	1.4
383.07672	19.6
384.07965	2.9
395.07452	1.9
401.11887	3.9
407.07269	1.3
413.08508	2.8
419.11777	2.2
425.08807	2.2
443.09128	7.5
447.10760	1.7
473.10410	7.4
503.25211	41.4
503.32175	4.7
504.25549	5.7
505.13245	3.4
563.13922	100.0
563.32440	6.5
563.66370	3.5
564.14038	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80832	0.8
55.01737	1.0
57.03314	1.4
58.00459	2.0
59.01265	64.6
61.98713	9.6
62.59777	0.7
71.01271	41.2
71.09586	2.4
72.99168	2.3
73.02451	1.0
73.02834	14.2
73.03429	1.0
75.00746	1.1
81.80417	0.7
83.01246	3.2
85.02837	6.6
87.00744	2.6
89.02338	100.0
90.02662	1.8
93.03336	3.0
95.01284	1.1
96.95853	1.0
97.02829	1.7
99.00175	1.3
99.00784	20.2
101.02347	35.3
102.02636	1.0
109.02849	1.0
113.02365	10.4
115.03857	1.1
117.03353	3.9
119.03416	6.9
119.04887	1.4
121.02840	1.9
121.06460	0.8
122.03535	0.9
125.02386	4.3
131.03441	13.1
133.04984	1.6
135.04370	1.3
137.02382	4.9
143.03400	2.3
149.04495	63.0
150.03058	0.9
150.04750	1.7
151.03888	1.1
159.38574	0.8
160.01585	1.0
160.05237	1.2
161.02361	2.0
161.04536	5.5
161.05774	1.6
163.03894	1.8
165.05437	1.1
175.03867	2.1
175.07545	1.2
177.05415	1.1
179.03383	0.8
179.05524	1.6
183.91364	0.9
189.12822	1.6
191.03787	1.2
191.05606	11.2
203.03528	1.2
221.06708	5.4
232.80469	0.8
246.16342	0.8
251.07762	7.4
254.61823	0.9
268.07382	1.1
269.04541	4.0
281.04568	2.3
281.08527	0.9
282.05209	1.7
283.06174	5.6
293.08557	2.6
295.06131	5.7
296.06738	3.0
297.07709	10.2
298.07910	1.5
307.06168	2.0
308.06802	0.9
309.07724	2.8
311.05536	5.0
311.09644	4.6
311.12878	1.0
313.07184	2.1
320.10458	0.9
323.05795	5.3
324.06360	1.0
325.07199	5.8
326.07739	1.4
328.05893	2.0
329.13889	3.1
337.07159	2.5
341.06845	4.3
353.02927	0.9
353.06772	16.0
354.06992	2.9
355.08185	3.1
356.08871	1.7
365.06641	4.7
383.03278	1.2
383.07770	16.7
384.08109	2.2
387.20261	5.4
388.20651	1.1
395.07578	2.1
400.11691	1.2
407.07608	1.1
413.08820	5.1
425.08679	1.1
443.09894	6.0
455.10010	1.6
473.11029	12.9
474.11288	2.0
503.12152	2.3
503.25131	10.4
504.25171	1.6
519.15112	3.5
527.11896	1.8
545.12970	5.3
546.13538	1.1
563.13965	54.0
564.14313	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.6
57.03334	4.3
58.00465	3.8
59.01265	76.4
61.98437	2.4
61.98717	34.0
65.00182	1.9
71.01272	67.4
71.04850	2.0
71.51962	2.2
72.01605	2.2
72.99194	3.9
73.02519	1.6
73.02834	17.3
75.00743	2.3
78.85331	1.8
79.01759	1.7
81.03325	4.7
83.01242	6.4
85.02835	15.6
87.00749	5.6
89.02335	96.4
91.01747	1.7
93.03325	6.9
95.01264	3.2
95.04914	2.8
95.71866	1.8
97.02828	4.2
99.00195	2.1
99.00777	23.7
99.04398	2.3
101.02349	48.0
107.01270	4.2
108.02019	2.1
109.02861	2.8
111.04359	3.5
113.02358	15.2
116.75462	1.5
117.03374	8.9
119.03373	6.2
119.04963	8.7
123.04411	3.8
125.02374	19.0
131.03430	16.8
131.04904	1.9
133.02838	4.8
135.04402	4.5
137.02353	7.9
137.05963	1.8
139.03873	2.0
141.09036	1.8
143.03409	5.0
145.02907	1.7
149.02484	2.9
149.04498	64.2
151.00314	8.9
151.04866	2.4
152.00812	1.6
153.01819	3.6
155.03308	1.6
159.04398	3.0
161.02386	3.9
161.04436	7.2
163.03889	2.1
165.01849	3.8
167.03416	15.0
168.03702	2.2
175.00226	3.6
175.03879	3.0
177.01830	5.2
179.05539	2.2
189.01784	3.1
190.02518	3.1
191.03645	2.4
191.05495	14.2
192.05844	1.9
193.01300	1.9
197.04405	4.6
197.06061	1.9
203.03450	2.7
205.01363	2.4
209.04251	2.3
219.02917	1.9
221.06512	7.0
227.03589	2.0
251.07556	5.3
255.02925	6.1
257.09250	3.3
265.05222	2.4
268.03741	2.1
269.04596	9.5
271.06195	14.9
272.06445	2.0
279.08655	4.3
281.04553	3.4
281.10144	5.8
282.05154	2.4
283.06152	3.9
284.03296	3.1
285.04074	3.9
293.04495	4.0
293.08502	3.2
295.06284	7.9
296.06790	3.3
297.04062	4.3
297.07529	12.1
298.04709	6.2
298.07767	2.6
299.05441	2.3
309.04147	25.3
309.07480	2.1
310.04410	2.7
311.05469	5.9
311.10269	7.8
312.06226	2.5
323.05634	12.4
324.05893	2.9
325.07248	8.3
326.04187	3.0
326.07797	2.2
327.05197	15.0
328.05383	3.4
341.06445	3.1
353.02750	2.4
353.06714	23.5
354.06995	3.8
355.08258	2.7
356.15549	1.6
357.06339	8.6
365.06445	5.3
371.20563	4.6
383.07739	20.0
384.07968	2.9
395.07507	4.5
399.07132	9.1
401.15671	2.6
413.08963	16.6
414.09018	1.9
431.09735	3.5
443.08682	2.3
443.13937	3.6
473.10760	24.9
473.23218	1.9
474.11005	3.6
483.44714	1.9
503.25104	84.5
504.25513	11.1
519.15057	2.5
545.13306	3.3
563.13892	100.0
564.14252	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	563.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13317	0.6
55.01769	2.3
57.03326	4.6
58.00477	2.7
59.01263	100.0
60.01616	0.8
61.76125	0.5
61.98714	10.9
63.02278	2.1
65.00211	9.4
65.27650	0.6
67.09889	0.6
68.99709	0.7
69.03340	2.7
69.23368	6.3
69.61234	0.6
71.01269	62.3
72.01601	0.8
72.99201	5.7
73.02836	12.9
75.00787	1.8
81.03354	1.3
83.01278	12.4
85.02841	17.6
85.99986	0.7
86.03191	0.7
87.00778	6.7
87.04437	0.8
89.02335	73.3
90.02654	0.6
91.05454	0.8
92.22548	0.5
92.66451	0.6
93.03349	6.3
93.07012	1.4
95.01310	2.5
96.95938	1.8
97.02838	3.3
97.06486	1.1
98.20621	1.2
99.00784	3.8
99.04443	1.3
101.02344	50.4
102.02680	1.4
103.42755	0.6
107.01295	17.2
108.02093	2.1
109.02866	4.3
111.00810	2.7
112.56935	0.7
113.02361	18.1
115.03885	0.9
115.87833	0.6
117.03407	1.5
117.05529	2.7
119.03535	7.1
119.04942	39.5
120.05285	1.7
121.02840	4.1
123.04480	1.7
125.02372	9.6
129.01884	0.8
131.03421	31.5
132.02139	0.6
132.03815	1.1
133.02943	2.0
134.03687	1.1
135.04445	7.7
136.01602	1.9
137.02390	1.8
141.09152	0.8
143.03473	2.7
145.02934	2.3
147.04485	1.8
149.04497	93.9
150.04889	1.6
151.00305	74.4
152.00620	3.2
153.01933	0.7
153.05609	0.8
157.03810	0.5
159.03000	1.1
160.01637	2.7
161.02423	2.0
161.04549	7.3
161.06068	1.9
162.06828	0.9
163.03960	1.4
164.01158	1.8
165.01915	3.7
167.03558	1.1
169.01440	2.2
171.08250	0.6
173.06244	0.7
175.00406	2.2
175.03946	3.0
177.01891	7.6
177.05486	0.7
178.02382	0.7
178.84514	0.6
179.03455	1.2
179.05621	1.4
179.07164	2.9
185.06078	1.5
187.04083	1.9
191.03798	0.9
191.05576	17.5
192.00673	0.8
193.01418	1.4
193.05031	1.1
196.00211	1.5
197.06166	0.9
200.17320	0.6
203.07320	0.7
205.05060	0.9
209.08261	2.1
211.07430	0.7
227.07236	2.3
229.18155	2.4
235.02643	1.6
239.07726	1.1
251.07683	3.5
253.09094	1.3
263.05804	0.8
268.96893	0.7
269.04733	1.6
269.08328	2.4
271.06171	56.5
272.06509	5.5
281.09134	0.8
282.05270	0.6
283.06607	1.3
283.09958	3.6
285.04208	1.2
285.07785	0.7
293.09073	1.6
295.06146	1.3
296.06900	0.8
297.07980	4.2
301.10886	7.9
302.11252	1.4
311.06290	1.3
311.09836	7.8
311.12888	0.7
312.10516	0.7
313.07129	2.8
315.21790	0.8
323.07864	0.7
325.07513	1.7
327.21985	1.3
335.06168	0.7
337.10938	0.7
339.12741	0.7
341.14029	1.7
343.15771	0.9
353.06793	7.9
354.07428	1.0
355.08304	0.9
359.28445	0.7
365.07095	1.6
371.21030	2.4
373.09518	0.8
373.22534	0.9
383.07605	6.4
391.23602	1.8
401.12296	1.4
443.12280	8.6
444.12500	1.1
445.15607	1.2
473.11008	1.0
503.25479	41.9
503.32724	12.9
504.25766	6.0
504.33105	1.7
521.33240	5.5
522.33966	1.2
533.27979	1.5
563.18109	68.1
563.33307	2.4
564.18524	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08209	0.3
57.03341	0.6
58.00469	2.0
59.01265	55.8
60.01598	0.4
61.98714	1.3
63.37483	0.3
66.13634	0.3
66.44292	0.3
67.20452	0.3
69.03367	0.5
71.01270	41.8
71.09538	0.8
72.01625	0.9
72.02065	0.3
72.99204	2.2
73.02836	12.8
74.03166	0.3
77.48376	0.4
80.94991	0.3
83.01278	1.2
85.02846	4.9
87.00786	1.5
87.04433	0.4
88.98698	1.1
89.02338	100.0
90.02685	1.5
93.03365	0.9
95.01266	0.6
96.95860	0.4
97.02847	0.9
99.00780	17.2
99.04446	0.3
100.01090	0.4
101.02347	37.7
102.02696	0.9
106.94642	0.3
111.20827	0.4
113.02367	6.8
114.50460	0.3
115.03945	0.8
117.03378	2.0
119.03429	4.1
119.04891	0.5
121.02859	0.3
125.02379	3.2
131.03429	18.9
132.03749	0.5
133.05049	0.9
135.04449	0.7
137.02414	0.4
143.03407	2.4
149.04498	88.2
150.04832	2.4
160.59540	0.4
161.02422	0.9
161.04485	4.7
163.03947	0.6
164.50861	0.3
172.55219	0.3
175.03961	1.3
177.01945	0.7
177.05461	0.4
179.03438	0.5
179.05673	0.7
189.05579	0.6
191.03745	0.7
191.05573	14.4
192.05901	0.6
203.03397	0.8
205.04912	0.3
221.04602	0.6
221.06638	7.0
245.04572	0.5
251.07777	8.2
252.08037	1.0
253.05220	0.4
263.07730	0.5
269.04669	4.3
270.05069	0.5
275.07724	0.5
280.07166	0.4
281.04779	0.4
281.08829	0.9
282.05334	1.1
283.06229	2.1
293.04504	0.5
293.08890	3.2
294.05292	0.4
295.06213	2.9
296.06873	1.3
297.07715	4.9
298.04932	0.5
298.07913	0.6
307.06171	0.9
309.07751	1.5
311.05716	2.6
311.09921	6.6
312.05972	0.4
312.10156	0.4
323.05716	2.4
325.07401	1.7
328.06006	1.8
335.05582	0.7
337.07312	1.4
341.06781	0.9
351.05118	0.4
353.06766	6.0
354.07224	1.1
365.06628	2.3
367.08395	0.5
383.07758	11.2
384.07773	1.6
387.20541	2.5
395.07767	1.9
413.08881	4.9
414.09375	0.9
418.70593	0.4
425.09134	0.9
437.08472	0.4
443.09857	3.9
444.10278	1.1
455.10120	1.5
473.10989	24.8
474.11380	3.5
485.11023	0.7
487.12381	0.4
503.12112	2.9
503.24982	4.5
504.25381	0.5
527.11969	0.7
545.13232	3.1
546.12317	0.7
563.14166	24.4
564.14453	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	563.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.9
57.03327	2.3
58.00478	2.8
59.01264	78.8
61.98712	2.8
62.44398	0.8
69.03336	1.1
69.18141	5.7
69.18570	4.4
71.01270	55.6
72.99206	3.7
73.02833	17.2
73.03206	1.6
77.02340	0.9
77.66634	0.8
83.01293	2.5
85.02843	10.6
87.00780	1.5
89.02338	100.0
90.02646	1.0
91.05453	2.6
93.03355	2.5
95.01318	1.5
97.02856	2.4
97.06484	2.0
99.00778	28.2
101.02345	44.0
102.02645	1.0
107.01316	2.2
109.02861	13.6
113.02359	9.3
115.03935	1.4
119.03428	4.6
119.04949	3.1
121.02853	6.9
125.02374	6.5
131.03423	16.7
135.04445	42.0
136.04803	0.8
137.02341	1.6
139.11174	1.4
143.03476	5.1
147.04471	3.7
148.05243	3.4
149.04498	85.9
150.04803	1.2
151.00310	5.7
160.05229	1.1
161.04512	6.7
165.01820	1.5
167.07118	2.6
171.10202	1.5
183.92850	1.1
189.85036	1.0
191.05589	17.7
193.08675	7.6
209.15363	1.1
211.13420	5.5
221.06656	9.2
221.11852	1.0
229.14378	4.4
250.42278	0.9
251.07748	9.2
252.08064	1.5
253.09302	15.5
270.08954	1.2
271.06134	4.6
291.19748	1.0
293.08740	4.4
297.07834	1.2
297.11292	1.3
309.20667	1.0
311.09906	5.7
315.12451	65.2
316.12738	6.3
327.21826	34.6
328.22208	3.1
330.27838	1.0
353.06824	1.1
367.84726	1.0
383.07809	1.0
422.01440	1.0
467.15466	0.8
503.25116	18.5
503.32413	4.4
504.25537	2.7
519.18878	4.1
521.33630	1.9
563.17487	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	563.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24162	0.6
55.01685	0.7
57.03233	3.0
59.01154	24.7
59.01490	7.1
61.98600	7.7
61.98960	1.8
63.02197	1.0
65.00090	6.2
65.03733	0.9
69.03257	1.0
69.35284	1.6
69.35682	5.2
69.56552	0.6
71.01154	11.4
71.01578	1.9
72.99100	1.5
73.01955	0.7
73.02718	3.3
75.00639	0.9
75.25124	0.6
81.03233	2.8
81.03679	1.3
83.01150	7.6
85.02713	5.0
87.00677	1.7
89.02206	5.6
91.05284	2.5
93.03228	6.6
95.01203	1.5
95.04811	1.3
96.93886	0.7
97.02774	1.6
99.00647	2.1
99.04339	1.5
101.02212	7.9
103.03795	0.7
107.01150	13.5
108.01943	2.6
109.02723	16.3
109.03507	1.1
111.04251	0.8
113.02342	5.8
117.03258	1.4
119.03355	1.2
119.04797	29.5
120.05170	1.3
121.02719	7.8
123.04384	1.4
125.02367	23.6
131.03325	1.4
133.02895	5.5
134.03584	1.1
135.04448	39.8
136.04744	1.7
137.02345	5.8
139.03784	2.0
145.02885	3.5
147.04446	8.2
148.04700	0.8
149.02290	1.6
149.04379	1.0
149.05939	1.1
151.00310	74.1
151.01488	2.9
152.00641	3.6
153.01733	1.0
160.01451	0.9
161.02223	2.8
161.04349	4.2
161.05836	1.8
164.00978	1.2
165.01727	2.5
167.03444	15.4
168.03703	1.1
169.01218	2.1
171.10057	1.1
175.00208	1.1
175.03847	1.5
177.01915	7.7
178.99713	0.9
179.03438	1.1
179.05388	0.9
179.06964	1.1
185.05914	1.4
187.03804	2.0
191.03355	1.2
191.07010	0.9
193.08522	1.9
197.04382	3.2
199.07620	0.8
201.09048	0.7
211.13286	1.9
217.05070	0.8
219.10252	7.9
221.08041	3.0
227.07045	2.9
229.05133	1.0
229.14433	1.1
235.02431	1.1
251.09322	1.2
253.09192	2.9
254.05721	1.9
255.10130	3.1
257.07928	0.8
265.10831	6.6
269.04529	1.1
269.08252	4.0
270.05362	0.9
271.06189	33.3
271.22836	0.8
272.06439	3.2
283.06036	0.8
283.09772	1.0
285.04019	2.1
286.04355	0.8
287.05612	1.8
289.07117	0.9
293.08725	2.7
295.06317	0.8
295.11917	2.7
297.07657	2.3
301.07233	0.9
317.06805	1.8
327.21823	9.3
333.09940	3.5
341.14001	100.0
342.14273	9.4
353.06787	4.9
359.28131	1.5
383.07751	4.1
385.15234	1.0
443.12421	20.3
444.13065	2.8
465.48587	0.8
485.31281	0.8
486.58615	0.8
503.19370	11.2
503.25177	1.7
503.32233	18.1
504.19843	1.2
521.33508	5.7
524.63055	0.9
563.18115	61.0
563.33929	4.0
564.18604	10.3
579.17944	1.2
589.35492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.5
57.03310	2.7
58.00449	0.9
59.01264	48.4
61.98440	0.8
61.98717	12.5
63.02266	2.4
64.99900	0.8
65.00210	12.5
68.99680	0.9
69.03331	1.5
69.34114	5.6
71.01270	34.3
72.99178	2.7
73.02834	8.4
75.00745	1.8
80.02538	0.7
81.03337	1.3
83.01276	11.2
85.02845	9.7
87.00780	3.5
87.04396	0.9
89.02337	33.9
91.05445	0.9
93.03365	9.9
95.01292	1.8
96.95910	2.3
97.02866	1.9
99.00755	2.7
99.04424	0.9
101.02349	26.0
107.01293	25.2
107.04898	0.7
108.02126	3.4
109.02863	4.0
111.00805	1.6
113.02355	10.0
115.03906	0.9
117.03384	1.6
117.05496	2.3
118.18767	0.7
119.03441	3.1
119.04942	57.1
120.04546	0.6
120.05302	2.9
121.02884	2.5
121.06443	0.7
123.04414	1.1
123.08125	1.0
124.01613	1.4
125.02376	8.3
131.03418	13.8
132.02145	0.9
133.02904	1.5
134.03656	1.6
135.04453	7.6
136.01564	2.1
137.02364	2.5
141.09152	2.8
142.09517	0.8
143.03403	1.4
145.02861	3.5
147.04449	1.8
149.02536	1.5
149.04497	38.6
151.00310	100.0
151.32774	0.7
152.00670	3.4
153.01863	1.5
159.03001	0.9
160.01608	2.1
161.02373	2.6
161.04507	3.7
161.06039	2.9
162.02824	0.7
163.03969	1.2
164.01189	2.5
164.04701	0.7
165.01869	3.8
165.05545	0.7
167.03459	1.1
169.01395	2.4
175.00336	2.2
175.03905	3.7
177.01889	10.2
177.05498	1.1
179.03499	0.9
179.05736	1.5
179.07155	3.2
185.06038	1.9
187.04037	2.7
191.03606	1.0
191.05540	7.5
191.07034	0.9
193.01430	2.2
193.04970	0.9
193.08659	0.8
196.00153	2.3
202.37772	0.6
203.07237	0.9
205.05080	0.9
209.08160	3.6
209.09868	0.6
227.07222	3.6
229.05183	0.9
229.18150	1.6
235.02583	2.6
235.06192	0.9
251.07692	1.7
253.09352	1.6
269.04724	1.7
270.05426	1.1
271.06177	80.3
272.06494	7.3
283.06885	1.1
283.09772	4.9
293.08990	1.4
295.06281	1.2
296.06854	0.9
297.07712	4.0
298.05008	1.0
301.10959	4.9
311.05740	1.0
311.10025	2.1
313.07367	2.7
318.64352	0.7
323.07892	1.9
325.07397	1.3
327.21927	1.7
335.05865	0.9
341.14023	1.5
353.06641	7.7
354.07077	0.9
359.15005	0.8
365.06873	1.2
371.21121	1.0
373.09521	1.1
373.22464	0.9
383.07855	5.2
391.23401	0.8
401.12939	1.7
413.09042	0.7
443.12125	11.9
444.13071	1.2
473.11353	1.1
503.13718	1.0
503.25473	16.0
503.32739	7.2
504.25769	1.5
521.33710	2.1
533.28577	2.5
533.78760	0.9
563.18060	89.1
564.18555	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91701	0.4
57.03329	1.7
57.96403	0.5
59.01265	15.2
61.98707	2.0
63.02280	2.4
65.00210	11.8
68.99699	0.5
69.03343	0.5
69.77312	2.6
71.01272	7.1
72.99174	0.8
73.02840	2.3
77.35424	0.4
81.03347	0.7
83.01278	7.7
85.02851	3.4
85.03912	0.4
87.00766	1.1
89.02358	2.5
93.03356	7.1
95.01305	0.5
97.02882	0.4
97.06486	0.6
99.00754	0.5
101.02338	4.6
107.01295	21.4
108.02087	2.0
108.03613	0.4
109.02858	0.7
111.00798	0.5
113.02367	3.3
117.03413	1.1
119.04945	41.4
120.05280	1.9
122.02402	0.5
125.02380	5.4
133.02864	0.8
135.04457	1.7
136.01579	1.4
137.02339	1.0
137.25017	0.4
143.03383	0.6
143.04950	0.6
145.02905	6.0
149.02417	0.6
149.04503	0.5
151.00308	100.0
152.00653	3.5
161.02443	0.5
161.04489	2.0
161.06004	1.6
164.01080	2.0
165.01891	4.1
169.01413	2.1
171.10246	0.4
175.00262	0.8
175.03967	1.2
177.01888	6.1
178.02261	0.5
183.13774	0.4
185.06041	1.7
187.04028	2.4
196.00084	1.3
205.01382	0.5
216.74188	0.5
227.07091	2.5
229.05132	0.5
253.04990	0.6
253.09358	1.3
269.04590	1.1
270.05521	0.7
271.06174	51.3
272.06512	3.3
279.05173	0.5
295.06168	0.7
295.40588	0.4
297.07602	0.9
327.21912	2.7
339.07294	1.1
341.14072	1.6
341.26898	0.9
353.06778	2.2
359.28201	1.7
383.07916	1.3
401.24942	0.4
417.13034	0.5
422.60077	0.4
443.12073	21.8
444.12167	2.5
459.13168	1.1
465.86655	0.5
503.32413	12.8
521.33405	3.1
562.32697	0.5
563.17896	95.3
564.18250	14.3
564.26520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
57.03331	0.6
59.01263	6.6
61.98724	2.1
62.95946	0.4
63.02284	2.1
65.00208	10.2
69.73344	1.4
69.73751	0.8
71.01269	3.0
73.02818	0.8
80.35083	0.4
83.01274	7.4
85.02841	1.2
89.02339	1.3
93.03361	5.3
95.01281	0.5
99.00772	0.7
101.02359	1.9
102.34489	0.3
107.01295	23.4
108.02094	1.5
108.99287	0.4
113.02335	1.2
117.03385	0.7
119.04942	46.4
120.05282	1.8
121.02857	0.4
125.02383	3.0
126.62395	0.4
133.02873	0.8
135.04449	2.0
136.01608	1.2
137.02486	0.5
143.03481	0.4
143.04962	1.3
145.02919	3.3
149.02354	0.4
149.04475	1.3
151.00311	100.0
152.00664	3.6
158.20769	0.4
161.02405	0.8
161.04605	0.5
161.06039	1.4
164.01097	1.9
165.01871	3.1
169.01370	2.2
175.00304	1.1
177.01901	5.3
179.03461	0.7
185.06046	2.7
187.03941	2.9
196.00116	0.9
227.07199	4.4
229.05045	0.8
229.18150	0.5
269.04657	0.6
271.06177	80.3
272.06519	6.6
297.07758	0.4
331.28833	0.4
341.14145	0.9
353.06775	0.5
383.08051	0.6
443.12024	15.7
444.12460	1.2
459.12924	0.9
503.32291	3.5
521.33466	1.4
563.17871	92.2
564.18164	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	563.1783
Annotation	Pinocembrin 7-O-neohesperidoside
Peak:m/z	Relative Intensity
57.03325	0.3
58.00466	0.1
59.01266	2.9
60.01558	0.1
61.98717	1.6
63.02282	1.1
65.00210	4.1
65.39179	0.1
66.00529	0.1
67.01762	0.5
67.23492	0.1
68.99697	0.8
69.22572	1.0
69.22992	0.2
71.01270	1.3
71.48376	0.1
72.99184	0.2
73.02833	0.6
78.95763	0.1
81.03309	0.2
83.01276	3.5
85.02853	0.6
87.00774	0.3
89.02336	1.1
93.03354	0.2
95.01294	0.3
97.02837	0.2
98.19709	0.2
100.25742	0.1
101.02339	0.9
101.03866	0.1
101.96443	0.1
103.03860	0.2
107.01292	5.9
108.01456	0.1
108.02066	0.4
108.99231	0.1
109.02861	0.5
113.02345	0.5
115.05447	0.4
117.03368	0.2
117.07014	0.1
119.03432	0.3
119.04939	0.2
120.02123	0.2
121.02841	0.2
122.00016	0.1
123.00783	0.4
123.04407	0.1
125.02371	1.5
127.05407	0.2
130.04175	0.3
131.01350	0.1
131.03426	0.2
132.02075	0.2
133.02898	1.0
134.03674	0.3
135.04428	0.7
136.01613	0.5
137.02361	0.2
141.07033	0.7
143.03377	0.1
143.04970	0.2
145.06526	5.5
146.06834	0.3
147.04472	0.1
149.02379	0.2
149.04494	0.4
149.78842	0.1
151.00310	13.6
152.00595	0.5
155.08606	0.3
157.06508	0.3
160.01575	0.8
161.02333	0.2
163.00317	0.1
163.06134	0.1
164.01115	1.0
167.08615	0.3
169.01361	0.4
169.06543	3.2
170.06831	0.2
171.04466	7.8
172.05237	2.1
173.05899	0.2
175.00328	0.2
175.03986	1.1
177.01851	0.7
179.08556	0.1
183.08121	2.0
185.06017	0.6
187.07617	3.7
188.07912	0.3
190.02623	0.1
191.05566	0.1
193.06570	0.5
193.08420	0.1
196.00037	0.3
196.05212	0.2
208.99522	1.5
211.07628	10.5
212.07959	0.8
213.05544	4.4
214.05956	0.3
225.05528	0.7
226.06285	0.7
227.07060	0.6
237.05573	0.3
239.07166	0.2
241.08667	0.1
251.07068	0.2
253.05083	0.3
253.09195	0.1
254.05875	0.7
255.06656	100.0
256.06992	8.6
269.08270	0.4
271.06253	0.2
279.06720	1.2
297.07736	3.5
297.11078	0.2
298.08127	0.3
309.07758	0.3
315.12494	0.6
321.07739	0.2
327.08810	0.1
327.21863	0.2
339.08749	0.3
341.13983	0.4
353.06750	0.4
357.09915	1.4
381.10068	0.1
383.07697	0.2
399.10822	0.4
401.12469	0.6
415.44785	0.1
417.11990	0.1
443.13702	1.9
444.13809	0.2
503.25482	0.2
503.32413	0.8
521.33551	0.2
563.17816	54.3
564.18146	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03336	0.9
58.00483	1.4
59.01263	38.1
61.98722	1.4
65.03839	1.3
67.01759	0.5
69.03355	0.7
71.01269	26.0
71.39175	1.2
72.99180	1.2
73.02832	8.0
75.00764	0.6
83.01276	1.3
85.02840	4.2
87.00775	0.7
89.02337	47.6
91.05432	4.8
93.03364	1.6
96.95898	0.7
97.02867	0.9
99.00787	10.8
101.02345	21.6
108.02068	1.0
109.02866	20.2
110.03287	0.5
113.02359	4.7
119.03422	1.9
119.04911	1.2
121.02880	10.3
122.03639	0.8
123.04401	0.7
125.02350	2.8
131.03423	8.8
135.04446	66.8
136.04755	2.4
137.09705	0.7
143.03432	1.6
147.04472	4.7
148.05238	4.9
149.04498	38.2
151.00316	2.1
153.01820	0.6
160.05238	1.1
161.04494	3.2
161.05786	1.0
167.07077	1.5
191.05562	8.4
193.08667	11.1
209.15427	0.8
211.13409	2.4
221.06656	4.5
229.14476	2.1
251.07751	3.0
252.07980	1.0
253.09314	3.5
255.06729	1.4
270.08945	2.3
271.06152	2.3
273.11313	0.6
285.08136	0.5
293.08792	1.8
297.11578	1.0
311.09863	2.7
315.12448	100.0
316.12738	9.7
327.21820	8.6
353.06714	1.0
402.49695	0.5
459.16437	0.7
503.25085	7.2
503.32565	1.6
509.94836	0.5
519.18976	7.9
520.19470	0.8
563.15820	2.5
563.31995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.9
56.29229	1.0
57.03336	20.3
59.01263	12.6
62.22368	1.0
62.90287	1.2
69.03331	1.4
69.93512	4.8
71.00898	1.7
71.01270	21.2
73.02834	8.2
75.00745	1.8
81.03328	1.5
83.01277	6.5
85.02846	7.6
87.00759	2.3
89.02329	7.0
93.03346	1.4
95.01273	2.9
96.95901	2.9
97.02849	7.7
98.19894	2.2
99.00782	23.4
99.04390	5.3
101.02344	27.8
108.02068	1.9
109.02862	1.9
113.02358	11.4
117.03360	2.1
119.04960	1.3
121.02905	1.3
123.04427	1.5
125.01458	1.8
125.02361	33.5
128.92078	1.1
135.04370	2.7
139.03947	1.5
143.03412	2.8
146.90614	1.0
152.00975	1.6
153.01854	1.5
159.02905	1.1
160.03894	2.3
161.02350	1.2
161.04500	13.7
179.03362	1.5
185.11154	1.0
191.03401	1.0
191.05598	2.5
203.05574	3.0
263.07724	1.1
273.01016	1.3
283.06018	2.4
293.08810	3.8
295.06161	2.0
297.07809	9.5
307.06302	1.4
311.05377	1.7
323.05582	1.7
325.07352	5.3
326.07822	1.1
353.06702	28.3
354.07117	2.5
357.08344	1.7
365.06537	3.6
383.07767	18.4
384.07977	1.6
401.10870	3.9
413.08997	1.2
419.12036	100.0
420.12445	9.7
425.09259	1.6
443.09772	2.6
461.13217	8.0
473.10648	5.8
503.11862	2.1
563.14154	55.4
563.22394	2.2
564.14691	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	563.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81952	0.4
55.01731	1.5
57.03339	35.4
58.03636	0.8
59.01269	8.3
59.79543	0.4
68.99632	0.4
69.03293	1.3
70.82143	0.8
71.01272	14.6
73.02836	8.7
75.00726	0.6
81.03319	0.4
81.54355	0.4
82.50976	0.4
83.00839	0.3
83.01273	3.9
83.92414	0.4
85.02847	5.1
87.00750	0.7
89.01862	0.4
89.02334	4.3
94.78525	0.4
95.01212	1.2
97.02277	0.7
97.02848	9.4
99.00784	21.2
99.04414	6.1
101.02350	26.1
112.89236	0.4
113.02358	9.8
123.00664	0.5
124.01563	0.4
125.02367	50.7
126.02640	1.6
131.03427	3.0
136.01631	0.4
143.03403	2.5
151.03883	0.6
155.50259	0.4
159.02928	0.9
161.04504	11.6
163.06026	0.5
167.03467	0.5
179.03416	1.3
191.05591	2.7
203.05624	2.8
265.26129	0.5
275.07965	0.7
287.07767	1.2
293.08878	2.3
297.07672	1.0
325.07138	0.7
329.08774	1.5
353.06677	2.5
365.06720	0.6
378.57083	0.4
383.07791	1.9
401.11008	2.3
419.12054	100.0
420.12442	8.8
437.13028	0.7
441.53299	0.5
461.13107	41.9
462.13486	4.1
501.16241	8.3
502.16843	1.1
563.15820	23.9
564.16125	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	563.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19600	0.3
55.01782	0.4
57.03376	1.1
58.00487	1.9
59.00981	1.1
59.01264	31.4
60.01622	0.5
61.98408	1.2
61.98715	35.2
69.23106	1.9
69.23540	1.7
71.00901	0.6
71.01267	18.4
71.84818	0.3
72.01656	0.6
72.99201	2.0
73.02830	2.2
77.13485	0.4
83.01321	1.6
85.02840	3.7
87.00825	1.2
89.02337	28.7
90.02725	1.1
93.03362	1.9
95.01350	1.5
96.95969	1.7
97.02883	0.5
99.00771	1.9
101.01335	0.5
101.02346	12.9
103.03960	0.5
107.01359	0.4
108.02190	0.4
109.02924	0.7
111.00846	0.3
113.02351	3.9
114.30550	0.3
117.03364	11.2
119.03436	3.9
119.04976	0.4
125.02442	1.6
131.01378	1.5
131.03423	5.4
131.04231	0.4
133.05023	0.5
135.04488	1.2
137.02382	5.1
143.03445	0.5
149.02536	1.3
149.04497	18.0
150.04939	1.3
151.00388	0.5
153.01941	0.5
159.04427	0.4
160.05318	0.4
161.02415	1.8
161.04465	1.9
163.04002	1.2
163.06058	2.2
167.03487	0.6
173.02388	5.5
175.00327	8.2
175.04015	1.1
177.01918	0.5
179.03477	0.5
179.05632	0.7
181.91241	0.4
185.02448	0.6
189.12849	0.7
191.03683	0.7
191.05634	3.1
197.06198	0.4
203.03569	1.0
221.06203	0.8
222.06827	0.4
227.03438	0.5
237.05611	0.6
249.05661	1.0
251.07368	0.5
265.05020	0.9
268.03894	2.5
269.04590	15.3
270.04996	1.3
279.06741	0.6
281.04504	2.0
281.08954	0.5
282.05334	1.1
283.06140	4.0
285.04193	1.3
293.04614	100.0
294.05005	9.6
295.06155	3.0
296.06870	1.7
297.07663	4.6
298.08057	0.7
307.06134	1.4
308.07138	0.9
309.04367	0.4
309.07693	1.4
311.05753	5.5
311.09512	0.7
312.06146	0.7
313.07169	0.6
323.05713	1.9
324.06299	0.5
325.07245	1.9
326.07895	1.3
327.08823	0.6
328.06039	0.5
329.13983	1.7
335.05554	1.5
337.07367	1.3
341.06708	2.2
342.07193	0.6
353.06711	7.0
354.07184	1.2
355.08371	1.1
356.09277	0.6
365.06699	2.0
366.07620	0.5
383.07782	91.2
384.08127	10.3
384.12845	0.3
387.20383	2.3
395.07675	1.0
400.11734	1.1
401.08417	0.8
413.08841	1.5
425.08765	0.8
443.10043	2.3
455.09775	0.4
473.10916	8.3
474.11346	1.0
489.13577	0.5
503.11932	0.8
503.24942	1.4
519.14917	1.3
545.12878	1.0
556.27240	0.5
563.13965	73.6
564.14380	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82098	0.2
55.01758	0.3
66.53851	0.2
69.31528	0.4
69.31927	1.9
71.01273	0.7
73.01176	0.2
73.02854	0.3
73.09147	0.2
79.01772	0.3
81.11378	0.2
83.01280	0.3
91.05421	0.5
93.03368	1.4
94.62003	0.2
95.01276	0.3
98.20554	0.6
107.01322	0.5
117.03374	4.9
118.03732	0.3
119.04929	0.8
125.95309	0.3
131.04959	0.3
133.06535	0.3
135.04449	2.0
145.02858	0.3
147.04449	0.6
149.02386	1.0
149.06071	0.3
159.04472	0.6
161.02408	2.2
163.03987	1.5
173.06032	0.3
175.03957	1.6
177.01904	0.6
177.05547	1.3
179.03505	0.7
182.03757	0.3
185.02452	0.3
187.04085	0.4
188.01363	0.3
189.01906	0.9
189.05522	0.6
191.03508	2.1
197.06052	0.4
203.03474	1.3
204.04268	0.2
205.05083	0.7
209.06128	0.3
210.06924	0.3
217.05086	0.5
221.04552	0.8
223.07668	0.3
225.05594	0.3
231.39864	0.2
233.04587	0.8
237.05641	0.6
238.06195	0.5
239.07140	0.3
245.04498	0.4
251.07211	0.6
253.08594	0.3
264.08032	0.2
267.06647	0.8
268.07419	0.8
269.04797	0.3
275.05682	0.2
281.04657	0.6
282.05423	2.6
283.06165	3.3
293.04596	0.5
293.08194	0.4
295.06210	4.5
296.06927	2.6
297.07745	18.4
298.08139	1.4
307.06262	2.3
308.03168	0.3
309.07779	2.3
310.07938	0.3
311.05640	4.2
312.05930	0.6
314.04395	0.5
321.07687	0.3
323.05624	4.6
324.06369	1.3
325.07248	10.6
326.07474	0.8
328.05948	2.9
335.05722	2.2
337.07263	3.5
341.06641	0.6
349.07587	0.3
351.05109	0.9
353.06741	45.8
354.07104	5.6
355.08490	1.4
356.05328	1.0
365.06763	6.2
366.06940	0.6
367.08270	0.6
377.06631	0.3
379.08173	0.4
381.06122	0.4
383.07803	26.0
384.08118	3.1
395.07819	3.7
396.08130	0.4
397.09308	0.6
407.07968	0.5
413.08859	3.3
414.09283	0.3
425.08951	1.3
437.08865	0.7
443.09937	12.0
444.10352	1.8
446.08676	0.3
455.09924	1.0
473.11011	6.2
474.11337	1.0
485.10959	0.7
503.12152	0.6
545.13220	0.6
563.14166	100.0
564.14508	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	563.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
64.37775	0.3
67.37592	0.3
71.01266	0.4
71.28468	0.4
73.02811	0.3
73.22842	0.3
73.26829	0.3
79.01792	0.3
87.00188	0.4
88.64997	0.3
93.03350	1.0
104.65234	0.3
117.03393	2.6
119.04955	0.6
131.61656	0.3
133.06490	0.5
135.04443	1.4
146.04054	0.3
147.04475	0.5
149.02354	0.5
159.04391	0.4
161.02406	1.8
163.03976	0.9
175.03983	0.6
177.05548	0.9
179.03531	0.5
189.01852	0.6
189.05597	0.6
191.03450	1.1
191.75699	0.3
197.16275	0.3
201.01851	0.3
203.03520	0.5
204.99341	0.3
205.04994	0.4
216.20711	0.3
221.04539	0.7
225.05664	0.3
225.96278	0.4
233.04626	0.4
260.37943	0.3
267.06711	0.4
268.07516	0.5
279.07089	0.3
281.04651	0.7
282.05331	1.4
283.06204	1.7
295.06149	3.1
296.06769	2.5
297.07727	12.0
298.08035	1.2
301.57184	0.3
307.06216	1.4
309.07675	1.5
311.05743	2.5
323.05667	2.8
324.06268	1.2
325.03470	0.5
325.07251	8.5
326.07632	0.6
328.05957	2.3
335.05643	1.0
337.07169	2.3
338.07510	0.4
341.06754	0.7
351.05090	0.7
351.08975	0.4
353.06735	40.8
354.07129	4.5
355.08133	1.7
356.05478	1.3
365.06747	6.2
366.07150	0.7
379.08362	0.7
381.06027	0.5
383.07776	30.7
384.08121	3.1
395.07819	2.4
397.09433	1.0
407.07874	1.1
413.08951	3.4
425.08960	2.8
443.09894	6.4
444.10333	0.9
473.10950	8.2
474.11450	0.9
503.11945	3.5
504.12402	0.6
545.12976	1.9
563.14154	100.0
564.14490	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	563.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21466	0.6
59.01250	1.0
68.63576	0.5
69.37402	0.6
70.55949	1.6
70.56300	0.9
71.01271	2.6
79.01781	1.4
83.01270	1.7
91.05429	1.1
93.03355	3.6
95.01273	1.3
107.01302	0.8
117.03381	16.0
119.04932	3.3
119.36157	0.7
123.04456	0.7
126.57024	0.6
131.04916	0.8
133.06557	1.0
135.04453	6.2
145.02890	1.2
147.04471	2.6
149.02354	3.2
149.06013	1.1
159.04478	2.9
161.02419	8.8
161.06042	1.1
162.03136	1.0
163.03914	4.1
171.04413	0.8
173.02321	1.3
173.06047	2.3
175.03975	5.1
176.04390	0.7
177.01900	2.1
177.05496	4.1
179.03462	2.3
187.03986	1.6
189.01869	2.4
189.05486	1.5
191.03487	4.6
193.05084	0.8
197.05959	1.1
199.03934	1.4
201.01959	0.8
201.05534	1.1
203.03491	5.0
204.04086	0.9
205.01416	1.0
205.05009	2.8
207.43140	0.6
215.03497	0.9
217.04988	1.5
221.04590	1.8
223.07657	0.8
223.56339	0.6
224.08398	1.3
225.09093	0.9
231.02968	1.0
233.04556	3.1
237.05611	1.3
238.06418	1.4
239.07161	1.0
245.04550	1.7
251.07281	1.3
253.05092	0.7
253.08890	1.5
263.05338	0.7
265.05176	0.9
267.06680	2.3
268.07425	3.6
269.04785	0.9
269.07941	1.1
279.06717	1.6
281.04648	3.4
281.07736	0.6
282.05405	7.1
283.06180	13.8
293.04645	0.7
293.08167	1.4
294.05368	1.2
295.03513	0.4
295.06158	17.1
296.06927	9.7
297.07733	63.3
298.08185	5.9
305.04446	0.8
307.06149	8.8
308.06970	1.0
309.07718	8.0
311.05679	11.7
314.04514	0.9
319.06137	1.4
321.04346	1.5
321.07861	0.7
322.04892	1.3
323.05679	12.8
324.06335	3.2
325.07266	23.5
326.07614	2.2
328.05960	10.7
333.07709	0.9
335.05637	5.1
337.07196	8.6
338.07654	1.1
341.06729	1.8
349.07370	0.8
350.04602	0.7
351.05069	1.8
353.06738	95.8
354.07135	11.7
355.08286	2.7
356.05386	2.7
365.06696	14.3
366.07184	1.5
367.08411	1.2
377.06613	0.9
381.06409	1.1
383.07800	68.7
384.08182	9.9
389.06671	0.8
395.07819	7.7
397.09680	1.4
407.07779	2.7
413.08890	8.0
414.09265	1.3
425.08813	4.2
426.08859	0.9
443.09897	11.5
444.10184	1.7
455.10056	1.7
473.10849	9.7
474.11322	1.2
485.10941	1.3
503.12234	1.4
563.14172	100.0
564.14532	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	563.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
57.17033	0.3
58.00484	1.0
59.01263	24.7
61.98710	1.0
66.60532	0.4
69.03374	0.3
71.01272	16.3
71.37045	0.7
72.99194	1.5
73.02840	4.1
79.01810	0.5
83.01273	0.6
85.02859	2.2
87.00771	1.2
89.02338	36.5
99.00777	5.4
99.87427	0.4
101.02351	11.5
103.63551	0.4
104.17468	0.4
109.02913	0.7
113.02395	2.6
117.03374	0.8
119.03419	1.2
119.04885	0.5
121.02879	0.7
125.02358	1.3
131.03438	6.5
132.02092	0.5
133.02869	7.4
134.03723	3.0
135.00803	0.7
135.04430	0.4
136.01546	0.5
137.02357	0.7
143.03436	0.8
145.02921	0.6
149.02443	1.2
149.04504	24.3
150.04805	0.6
151.00346	0.8
159.04436	0.4
161.02365	1.9
161.04510	1.2
163.00285	3.2
163.03957	0.9
164.00987	0.4
165.01851	1.7
173.02448	0.6
175.00356	1.8
175.03932	2.0
176.00935	0.5
177.01898	0.7
191.03827	0.7
191.05565	4.9
193.01352	0.8
198.03380	0.4
199.03957	1.0
201.01900	1.4
203.03477	0.6
211.03908	0.6
213.05630	0.4
221.06584	0.9
225.05531	0.9
227.03609	1.3
229.05042	0.7
237.05493	0.5
240.04169	0.5
241.05080	1.6
251.07722	1.5
253.05098	1.7
254.05716	0.8
255.03127	1.2
265.05029	0.6
269.04602	6.8
270.05231	1.7
281.04724	2.0
282.05408	2.6
283.06100	1.5
284.03372	5.0
285.04126	14.2
286.04346	0.9
293.08871	0.4
295.06223	1.0
296.06628	0.7
297.04147	19.9
297.07556	1.8
298.04880	95.9
299.05344	13.1
299.08786	0.6
307.06137	0.6
309.04123	15.5
309.07455	0.7
310.04553	2.5
311.05655	3.9
311.09497	0.8
314.04544	0.5
322.04904	0.8
323.05624	1.4
324.02850	0.9
325.03592	5.0
325.07288	1.1
326.04434	3.9
327.05157	26.2
328.05557	3.3
330.03842	6.1
337.03473	1.0
337.07129	0.5
338.04419	4.7
339.05109	7.9
340.05438	1.1
341.06653	1.8
351.05130	1.6
353.03036	4.2
353.06818	3.6
354.03372	0.5
355.08307	0.6
357.06232	15.0
358.06622	1.8
365.06818	1.1
369.06207	1.5
381.06238	2.5
382.06281	0.7
383.07761	5.3
384.08508	1.0
385.05951	0.5
387.20328	0.7
395.07739	1.0
399.07315	13.3
400.07544	1.4
407.75357	0.4
413.09024	2.8
416.07401	0.5
417.08368	2.8
425.08710	0.5
443.09735	1.0
455.09854	0.5
473.10989	31.1
474.11224	3.4
485.11261	0.6
503.12009	1.4
503.25174	1.2
545.13440	2.1
563.14178	100.0
564.14484	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	563.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05723	0.5
59.01251	1.5
69.35220	4.1
71.01260	1.7
73.27427	0.4
89.02330	0.9
90.52658	0.4
91.05409	0.5
93.03352	1.7
95.10416	0.5
117.03370	5.7
118.00910	0.4
119.04934	1.2
123.04453	0.5
131.04919	0.7
135.04424	3.0
137.02388	0.5
147.04430	0.7
149.02390	2.5
159.04433	1.3
161.02365	2.7
163.03899	2.8
175.03984	1.5
177.01988	0.6
177.05548	1.5
179.03419	0.4
187.04021	0.6
189.01945	1.1
189.05455	0.4
191.03474	5.0
203.03456	2.3
205.04999	1.2
207.91003	0.4
211.07631	0.4
215.03523	0.8
217.01534	0.4
219.02939	0.6
221.04553	2.0
227.03558	0.5
233.04602	0.9
235.02228	0.5
253.08955	0.6
267.06638	1.0
268.07446	0.8
269.04532	0.9
271.02502	0.5
279.06717	0.5
281.04660	1.4
282.05441	2.2
283.06128	5.2
293.04669	1.1
295.06140	5.2
296.06839	2.6
297.04294	1.0
297.07700	18.1
298.08142	2.3
307.06119	3.1
308.06488	0.5
309.07666	1.9
311.05621	5.0
323.05621	4.0
324.06357	1.0
325.07202	9.6
326.07513	1.0
327.48260	0.6
328.05984	3.3
329.05969	0.5
335.05716	4.1
337.07230	3.5
341.06708	1.3
351.04898	0.6
353.06741	38.0
354.07199	4.1
355.08249	1.2
356.05353	1.0
365.06677	6.6
366.07065	0.8
377.06766	0.9
383.07767	26.1
384.08127	2.8
395.07730	3.3
396.08173	0.7
397.09308	0.5
407.07645	1.0
413.08807	4.5
414.09381	0.5
425.08820	2.4
437.09009	0.5
443.09869	6.9
444.10147	0.6
449.96851	0.5
455.09906	1.8
473.11029	5.6
474.11426	0.6
485.10971	0.8
503.12042	1.5
505.10379	0.5
527.09875	0.5
545.13287	1.2
563.14172	100.0
564.14532	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.31896	0.2
59.01266	2.8
61.98718	1.8
62.22088	0.3
64.00804	0.2
69.85053	1.5
71.04902	0.3
77.59682	0.2
78.95790	10.3
79.26827	0.3
83.04927	0.7
85.06512	0.5
117.03397	0.3
118.66220	0.3
122.00058	0.3
140.01106	3.1
152.99530	1.1
153.12762	0.6
155.14349	0.8
163.11208	0.3
165.12776	1.3
181.12282	1.0
196.03793	1.4
199.13376	24.8
200.13745	1.7
214.04855	4.2
257.27066	0.4
263.20233	4.2
264.20721	0.3
279.19705	3.9
280.20111	0.5
295.06500	0.3
297.07788	1.1
311.05438	0.3
328.06161	0.4
347.26001	5.5
348.26233	0.7
353.06769	2.1
363.25668	0.6
365.27029	100.0
366.27383	10.2
383.07977	1.6
384.09283	0.4
473.11453	0.4
488.28088	1.6
562.31622	26.8
563.14105	5.6
563.31976	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34781	0.4
53.64359	0.5
54.51439	0.4
54.85756	0.4
55.01766	1.1
55.76682	0.4
57.03326	1.2
58.00485	2.9
59.01263	68.7
60.01619	0.6
61.98722	1.0
64.96059	0.4
69.03334	0.8
69.47949	2.5
69.48358	1.3
71.01266	49.1
72.01608	0.8
72.99208	3.5
73.02831	14.9
75.00790	0.5
83.01290	1.5
85.02846	5.9
87.00771	1.6
89.02335	100.0
90.02666	1.4
96.95895	0.4
97.02859	1.4
98.19801	1.0
99.00776	28.0
100.01114	0.7
101.02345	41.2
102.02681	1.0
113.02354	7.7
115.03897	1.4
119.03413	3.4
121.03020	0.5
124.87129	0.5
125.02375	2.7
131.03430	16.2
135.04417	0.5
141.09190	1.1
143.03432	3.2
149.04500	78.1
150.04822	2.2
151.07558	1.2
152.01042	0.6
157.13167	0.5
159.10118	0.8
161.04486	4.3
191.05586	17.8
194.34731	0.5
221.06683	6.3
241.50467	0.5
251.07780	4.7
281.08823	0.9
285.14548	0.5
293.08875	3.1
311.09854	4.3
340.23233	0.6
499.32706	0.5
517.34064	0.8
561.25616	3.1
582.70087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.1
61.98715	100.0
62.98400	0.2
71.24825	0.2
79.10909	0.2
88.73592	0.2
89.02331	0.3
93.06222	0.2
98.19792	0.6
117.03424	0.2
120.14968	0.2
121.02868	0.8
139.44400	0.1
169.08363	0.2
179.03468	0.7
182.28313	0.1
198.12709	0.2
254.09717	0.2
263.20392	0.6
264.20551	1.4
265.20978	0.7
266.21295	0.5
282.05435	0.2
283.06122	0.3
295.06113	0.3
297.07846	0.7
307.06439	0.2
309.08035	0.2
324.09781	0.4
325.07141	0.4
353.06570	1.4
383.07788	1.0
443.10034	0.4
473.11304	0.4
562.18628	0.6
563.14124	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36787	0.3
56.30898	0.3
59.01260	2.9
61.98720	4.5
65.03848	1.1
67.01772	0.3
70.92193	0.3
70.92529	0.5
81.05785	0.3
91.05428	2.8
93.03363	0.8
104.44276	0.3
107.04887	0.3
108.02073	1.3
109.02860	19.7
110.03181	0.7
121.02876	5.2
133.02864	0.7
134.03644	0.3
135.04448	29.8
136.04776	1.2
147.04446	7.1
159.04451	1.5
160.05194	0.5
163.07588	0.5
175.07584	0.6
175.33702	0.3
176.08347	0.4
177.09215	0.5
185.06096	0.3
188.08344	0.3
189.09160	1.0
191.10713	2.5
201.09117	0.7
202.09886	0.5
211.13438	0.3
215.10738	1.2
217.12334	5.1
222.94008	0.3
225.09198	0.7
227.07176	0.4
237.09254	1.0
239.07205	0.7
251.06976	0.3
253.08780	0.4
254.13327	0.5
255.06792	0.5
256.11206	0.4
263.07190	0.5
265.12378	0.4
269.08252	0.7
280.14807	0.5
281.08237	2.6
282.12534	0.3
283.13107	0.4
295.09860	0.4
297.15002	0.5
306.12680	0.7
309.11313	1.9
310.12289	0.3
321.15012	1.7
322.15100	0.3
323.12891	0.5
324.13751	1.5
339.16077	100.0
340.16422	11.4
403.77942	0.3
501.32593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.5
57.03334	3.7
58.00480	2.6
59.01264	92.1
60.01608	0.8
61.28405	0.5
61.98714	8.8
63.02288	1.9
64.29202	0.6
65.00206	4.5
69.03356	1.6
69.80056	1.1
69.80467	2.2
71.01270	56.9
71.04903	1.0
72.01614	1.5
72.99197	4.7
73.02838	14.8
73.53235	0.5
75.00762	1.0
81.03339	0.8
83.01273	7.3
83.04920	0.8
84.82961	0.6
85.02843	10.2
85.06519	1.3
87.00761	4.3
87.04473	0.5
88.98705	0.8
89.02337	100.0
90.02673	1.3
90.87809	0.6
93.03360	5.9
95.01288	2.3
97.02878	2.6
99.00779	24.9
99.04427	2.5
101.02346	45.7
102.02682	0.8
107.01281	9.1
108.02090	1.5
109.02900	1.6
109.06509	1.0
111.00809	1.0
113.02366	11.9
115.03944	1.3
119.03525	4.7
119.04942	24.9
120.05293	2.1
121.02826	1.7
125.02368	11.2
125.06046	0.6
127.03932	1.5
131.01357	0.7
131.03424	20.0
131.07074	6.7
134.03712	0.9
135.04396	1.6
136.01593	0.9
137.02437	1.3
139.03932	0.6
139.07626	0.7
143.03426	5.4
145.02899	1.8
149.04497	86.9
150.04881	2.1
151.00308	37.2
151.03952	1.4
152.00822	1.9
153.01826	1.3
159.02823	0.7
160.01520	0.5
161.02415	1.1
161.04498	6.6
163.00302	0.7
163.03967	1.0
164.01094	0.8
165.01862	2.1
169.01395	1.7
175.00343	1.6
175.03954	0.9
176.01039	0.8
177.01891	4.2
178.99814	2.6
179.05612	0.7
180.05925	0.7
187.03964	1.2
191.05582	16.9
192.05815	0.7
193.01544	0.6
193.06560	2.0
197.11719	0.6
206.99861	10.9
208.00185	0.8
211.13332	1.0
221.06650	9.1
227.03604	0.6
251.07751	8.8
253.09329	1.6
255.03012	15.6
256.03461	1.7
267.03067	0.9
268.03665	1.0
269.04596	5.9
270.04825	1.2
271.06177	92.5
272.06503	9.9
273.07706	1.8
275.07800	1.3
281.04498	0.8
281.08878	0.8
282.05328	1.9
283.02533	12.3
283.05664	1.2
284.03223	4.7
285.04044	1.9
293.08829	5.3
294.09372	0.7
295.06097	0.9
297.04099	13.3
297.07709	3.4
298.04846	7.0
299.05704	5.5
311.09903	10.7
313.07230	1.3
325.20328	2.1
339.12518	1.6
341.05499	0.9
357.13446	0.8
357.26410	1.6
381.09500	0.8
399.23972	0.7
433.11389	3.7
461.11139	5.5
481.32224	0.6
483.29892	1.1
501.23599	3.6
501.30835	12.3
502.23795	1.0
502.30872	1.1
519.31781	4.1
529.10059	3.5
532.19867	0.7
561.13287	13.0
561.32501	4.8
562.13721	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47866	0.3
55.01769	0.7
57.03344	1.8
57.70506	0.3
58.00491	2.3
59.01264	100.0
60.01599	1.4
61.98714	0.5
64.99045	0.3
68.86588	0.3
69.03342	3.4
71.01269	36.7
72.01605	0.5
72.99200	3.0
73.02834	13.6
74.03178	0.3
75.00747	0.4
81.03335	3.0
81.03696	0.3
83.01276	3.8
83.04932	0.5
85.02840	12.0
87.00769	1.8
87.04419	0.5
89.02335	20.4
90.02701	0.4
95.01283	1.6
97.02848	6.5
99.00768	1.7
99.04438	1.1
101.02345	25.2
102.02699	0.6
103.03912	22.6
104.04251	0.5
107.01303	0.6
109.02852	0.6
111.04478	0.3
113.02335	2.3
115.03934	0.9
117.03408	1.2
119.03415	10.9
121.02852	0.5
125.02368	25.5
126.02738	0.9
127.03922	2.4
130.24161	0.3
131.03468	0.8
135.04434	2.7
141.09187	0.6
143.03435	2.8
143.04271	0.3
145.04999	4.5
149.04533	0.5
151.00314	0.7
153.01904	0.4
161.02423	0.4
163.02527	0.6
163.03995	20.7
163.06105	21.9
164.04323	0.7
164.06445	0.7
167.03436	0.8
167.38812	0.3
178.06314	17.5
179.06737	0.9
191.05676	0.4
193.08676	10.8
194.09148	0.3
205.07124	1.6
229.07309	0.7
247.08243	6.1
248.08607	0.3
255.06668	3.5
283.06125	3.1
289.09433	1.3
291.03909	0.3
307.10413	19.1
308.10638	1.6
309.04272	1.0
311.05667	3.5
312.06348	0.4
330.81335	0.3
337.03668	3.0
399.11237	0.6
457.07965	0.7
475.08957	6.8
476.09668	1.2
561.16241	1.6
562.17157	0.4
565.11658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35234	0.8
51.40352	0.9
52.75248	0.9
55.01764	2.3
55.57863	0.8
56.16174	0.9
57.03345	3.5
58.00487	3.5
59.01265	76.9
60.01584	0.9
61.98717	65.4
66.12099	0.9
71.01268	40.1
71.56183	1.0
72.99202	6.9
73.02840	4.9
75.00763	4.5
78.95779	1.1
83.01286	5.7
83.04932	2.6
85.02843	12.2
87.00784	3.9
87.04384	0.9
89.02338	30.5
93.03369	1.1
95.01302	3.6
96.95959	1.2
97.02884	1.5
97.06515	0.9
99.00810	2.9
101.02355	21.4
107.04932	1.0
109.02862	9.3
109.06526	2.3
111.00794	1.5
113.02351	15.5
117.03373	1.5
119.03432	10.5
121.02869	3.3
122.03637	2.0
123.04445	1.7
124.01672	0.9
125.02357	7.4
131.03569	0.9
133.02856	8.2
135.04466	6.4
136.04987	0.9
137.02399	3.3
137.06084	0.8
138.03195	0.9
143.03442	1.7
147.04510	1.8
149.02385	2.4
149.04488	1.3
149.06006	1.0
150.03183	7.0
151.00369	2.8
151.03976	4.2
151.11253	1.3
157.12389	0.9
159.03055	1.2
159.04436	1.1
160.03996	7.2
161.02394	72.2
161.04570	3.1
162.02811	3.9
163.00371	1.1
163.03987	2.6
163.06111	1.6
165.05536	1.0
173.02425	1.3
175.00249	1.1
175.04021	1.7
175.11285	3.0
179.05594	1.7
201.11282	1.6
203.07101	1.0
215.03851	1.1
219.10269	53.7
220.10649	3.6
223.17200	1.4
247.09862	2.5
253.05020	1.1
259.09940	1.7
269.04694	2.6
271.02692	1.5
283.05936	1.6
293.04642	10.3
294.05136	1.7
301.07260	3.9
302.07898	1.4
311.05667	0.9
311.22333	1.4
323.05869	1.4
325.20233	1.5
334.26038	1.0
337.10904	3.0
338.11240	3.4
339.11960	3.3
357.17093	2.9
364.03503	1.0
381.13513	33.6
382.14041	3.6
399.11673	2.0
399.16684	20.4
400.17194	2.6
409.12448	1.0
413.08969	4.7
421.36462	1.1
501.17026	2.6
501.32162	5.2
519.22510	4.5
519.31494	1.9
561.20026	100.0
561.29901	10.0
562.20422	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	561.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.5
57.03331	8.9
58.00484	3.2
59.01265	62.0
60.81575	0.8
61.98722	6.2
63.02287	2.5
65.00211	3.3
66.07193	0.9
67.01781	0.9
68.99706	1.8
69.03349	2.4
71.01270	41.9
71.04913	2.5
72.99194	3.3
73.02838	11.7
75.00755	1.1
77.46622	0.7
81.03345	9.1
83.01279	8.3
83.04916	1.8
85.02845	8.6
85.06500	1.3
87.00779	3.2
89.02338	73.8
90.02676	0.9
91.05428	1.5
93.03352	6.6
95.01309	2.1
95.04957	4.8
97.02835	3.7
97.06484	2.2
99.00780	19.6
99.04422	8.0
101.02344	33.7
107.01296	11.2
108.02133	3.8
109.02879	11.7
109.06489	3.7
111.00789	1.5
111.04441	1.2
113.02342	9.2
119.03450	3.0
119.04936	19.7
120.05270	1.6
121.02881	8.9
121.06532	1.4
122.03690	1.0
123.00800	0.8
123.04431	5.2
124.01563	3.1
125.02370	40.0
126.02733	1.2
127.03939	1.2
131.03430	13.4
131.07059	3.8
132.02098	2.2
133.02890	6.0
133.06519	0.9
134.03632	4.5
135.04454	16.7
137.02373	6.8
138.03172	4.9
139.03934	7.2
139.07562	2.4
141.09114	1.0
143.03450	3.1
144.05698	0.9
145.02902	1.8
145.06558	0.9
147.04463	5.4
148.01576	1.7
149.02399	3.0
149.04501	55.9
149.05859	2.0
150.03030	1.2
150.04834	1.1
151.00310	44.3
151.03951	1.2
151.07553	0.8
152.00993	2.2
153.01897	6.6
157.06511	1.2
159.04408	2.1
159.08086	1.9
160.01675	1.5
160.05272	1.0
161.02348	1.9
161.04488	5.1
161.05905	1.7
163.04036	1.5
163.07620	1.0
165.01903	4.6
165.05482	1.0
166.02701	4.4
167.03452	57.0
168.03789	2.6
169.01346	3.9
173.06029	2.9
175.00417	0.9
175.04016	1.5
175.07599	3.0
176.01109	5.4
177.01892	6.2
177.05469	1.4
178.99825	22.8
179.03448	2.2
181.12311	1.3
185.06131	1.0
187.03917	1.3
188.04848	2.1
189.05557	2.6
189.09155	1.9
191.03630	1.5
191.05573	10.5
191.07141	3.2
193.01405	3.8
193.06575	0.8
197.02896	1.4
197.04539	10.3
197.11880	5.0
198.04842	0.9
199.07681	0.9
199.13402	1.0
201.09200	1.1
202.06326	1.0
203.07132	32.4
204.07422	2.2
205.08725	1.1
206.02129	1.0
206.99835	14.0
207.02916	0.8
207.06631	13.0
209.11957	1.2
211.13391	3.0
215.03667	1.6
216.04268	1.5
217.05231	1.0
217.08682	14.0
218.08911	1.3
221.00912	1.4
221.06619	6.7
227.13011	1.4
229.08720	4.3
235.02536	7.7
235.13300	1.1
237.14943	1.0
241.05031	1.8
244.03813	2.6
251.07788	6.2
253.05179	1.1
253.09253	7.9
255.03055	6.2
255.06593	1.0
256.03613	1.1
256.07501	1.2
265.03531	1.7
268.03714	1.2
269.04456	1.8
269.06961	1.4
271.06177	77.0
272.06543	7.0
273.07736	10.0
274.05057	1.1
281.08420	1.5
283.02524	4.3
283.05609	1.4
284.03458	4.7
285.03995	0.9
287.07877	6.0
293.08972	2.7
297.04092	4.7
297.07471	1.4
298.04929	2.9
299.05475	2.1
307.19278	1.9
311.09885	7.0
313.07059	1.0
315.05219	1.2
316.05945	2.2
325.20288	13.5
326.20718	1.2
339.12436	100.0
340.12762	12.0
341.05200	9.4
342.06046	4.2
344.05353	7.2
359.04129	0.9
381.09900	3.2
399.10919	3.0
400.10895	1.2
433.11600	1.4
435.13184	4.0
441.11920	8.2
442.12231	1.8
446.08582	1.1
464.09674	8.4
465.09836	1.3
471.13107	2.5
501.17206	1.3
501.23602	4.3
501.30750	4.1
502.24112	1.0
519.31732	1.3
532.20837	0.9
543.15863	0.9
548.65820	0.8
561.16284	21.1
561.23920	1.6
561.32123	3.4
562.16473	4.7
571.62189	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94229	0.3
55.01759	0.6
57.03339	3.1
59.01264	19.3
61.98713	2.2
62.29831	0.3
63.02287	0.3
65.00209	1.0
68.85207	0.3
68.99710	0.4
69.03340	1.1
71.00901	0.7
71.01271	10.4
71.01671	0.5
71.04898	0.5
72.99195	1.5
73.02839	3.7
75.02303	0.4
77.03857	1.4
78.95800	0.4
79.01782	0.7
81.03340	1.2
83.01279	2.7
83.04922	0.8
85.02853	4.1
85.06451	0.3
87.00766	1.3
87.04413	0.4
88.98704	1.6
89.02338	6.6
91.01791	0.4
91.69159	0.3
93.03352	2.6
95.01290	0.9
95.04924	0.5
96.95900	1.2
97.02833	1.9
99.00784	1.4
99.04428	2.4
101.02347	8.9
101.05994	0.5
103.01801	0.5
103.03909	2.9
105.03368	0.8
107.01305	1.9
107.04941	0.4
108.02058	1.0
109.02875	1.7
111.00828	0.5
111.04440	1.3
113.02331	2.5
113.05976	0.5
117.03380	9.1
117.05490	1.6
119.01311	1.2
119.03488	1.5
119.04943	3.3
120.05329	0.3
121.02866	3.7
123.00793	1.6
123.04440	0.8
125.02371	10.0
127.03895	0.7
131.01302	1.7
131.03410	0.9
133.02882	1.3
134.03654	0.4
135.00821	0.4
135.04434	2.8
136.01584	5.0
137.02402	2.1
139.03937	0.4
141.09151	4.8
143.03430	0.5
143.04979	0.5
145.02870	0.9
145.04993	0.7
147.00812	1.0
147.04442	1.2
149.02397	3.8
149.04443	2.5
149.05600	0.3
149.05972	0.3
150.02716	0.7
151.00327	5.2
151.02940	0.4
151.03944	7.1
151.07536	0.5
152.01091	0.7
153.01855	1.5
155.77748	0.4
159.04439	1.3
161.02380	4.9
161.04486	1.0
163.00319	0.9
163.03960	6.0
163.06020	3.5
164.04704	1.8
165.01854	1.3
165.05095	0.8
167.03471	4.8
167.04831	0.3
169.01273	0.5
171.04474	0.4
173.02400	0.9
175.00356	3.9
175.03848	0.6
176.00871	0.5
177.01871	0.9
178.06311	2.2
178.99837	3.2
179.03441	0.8
179.05627	0.4
180.05687	0.5
183.04514	0.4
185.02472	0.4
188.01103	0.3
189.01822	0.8
190.02664	0.7
191.03464	1.5
191.05583	1.1
193.01332	1.0
193.04993	0.6
193.08632	1.0
195.04462	0.3
195.08130	0.4
196.05226	0.4
196.85143	0.4
197.04500	0.8
197.06100	1.2
203.03391	0.9
203.07063	0.4
205.01416	0.8
205.05060	0.8
205.06927	0.3
208.46953	0.3
209.06078	0.5
211.04074	0.4
211.07555	0.8
213.05586	0.5
215.03436	0.3
215.07025	0.4
217.01448	0.5
221.06470	0.7
223.06087	3.1
224.04622	0.6
224.06419	1.7
225.05482	0.5
227.03552	0.5
227.07030	0.7
235.02461	1.2
237.05600	1.0
239.07109	1.3
240.04369	0.6
241.05086	1.0
243.06635	0.7
247.08168	0.7
250.06302	0.6
252.04163	0.5
253.05003	1.1
255.06683	5.2
256.07028	0.4
257.01093	0.4
264.04355	0.4
265.05060	1.5
266.05670	0.3
267.02939	0.5
268.03793	2.2
269.04565	2.9
269.72461	0.4
271.06253	3.2
279.08859	0.4
280.03836	0.5
281.04617	3.5
282.05310	1.6
283.06183	33.4
284.03531	0.8
284.06519	2.8
285.04169	0.5
287.05096	0.4
287.07996	0.5
293.04611	6.6
294.05170	1.5
295.02808	0.6
295.06149	1.9
297.04144	0.8
297.24310	0.4
298.04800	0.8
307.02725	0.4
307.06058	0.4
307.10443	1.9
308.03329	1.0
309.04086	8.3
309.07339	0.4
310.04663	0.7
311.05673	40.6
312.05972	3.8
313.03488	0.8
313.06836	0.5
314.04376	0.9
323.05731	2.7
325.03607	0.7
325.07285	0.4
326.04276	0.4
337.03607	34.8
338.03986	3.6
339.12238	0.8
341.06866	3.2
342.07037	0.4
342.11230	0.5
355.04498	2.5
357.13477	7.4
358.13721	0.6
363.09207	0.4
381.09769	1.2
384.08466	0.6
387.27643	1.0
397.09344	1.1
398.09674	0.4
399.10803	6.8
417.11633	0.4
423.10812	0.5
431.09793	1.0
441.11612	1.0
445.07825	0.5
446.08600	0.9
457.07703	13.9
458.08371	1.7
464.09720	0.5
471.12924	0.4
475.08920	100.0
476.09277	10.9
488.68903	0.4
499.32886	0.5
501.23328	0.4
517.33667	1.4
543.15106	1.3
545.56274	0.4
560.32251	1.8
561.16479	17.0
561.32593	2.3
562.16809	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	18.8
61.98713	1.5
65.57437	0.2
71.01273	3.8
72.99187	0.4
73.02838	0.9
82.94213	0.2
83.01292	0.4
85.02850	0.7
87.00771	0.9
89.02336	3.1
99.00802	0.3
101.02353	3.2
113.02375	1.6
113.03041	0.2
119.03410	0.8
125.02392	0.2
125.55567	0.2
143.03458	0.3
144.45212	0.2
155.60310	0.2
161.04510	1.5
161.40053	0.2
179.05603	0.3
219.21100	0.3
235.08244	2.1
245.19182	0.3
253.09334	15.2
254.09677	0.6
261.18823	0.4
263.20212	100.0
264.20566	9.4
302.59933	0.2
441.68436	0.2
499.30023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
59.01262	9.0
61.80543	0.4
61.98715	3.0
65.00208	0.5
67.47211	0.5
71.01274	6.7
71.07740	1.0
72.99181	1.1
73.02839	3.4
77.03845	1.4
79.01775	1.6
83.01254	1.4
83.04897	0.7
84.97341	0.4
85.02836	2.4
87.00753	1.3
87.04404	0.6
89.02329	4.2
89.08741	0.4
93.03349	1.9
95.01282	1.0
95.04961	0.6
96.95961	0.4
97.02846	0.5
99.00767	1.5
99.04430	0.8
101.02351	5.7
101.05991	0.8
103.03874	0.7
105.03299	0.5
107.01226	0.6
108.02046	1.3
109.02849	0.8
111.04417	1.3
113.02343	2.6
117.03362	6.2
119.03427	0.7
119.04958	1.2
121.02882	2.4
123.04420	0.6
125.02348	3.3
127.03962	0.5
131.03398	1.0
133.02928	0.6
134.03622	0.4
135.04442	1.7
137.02361	1.5
141.09131	5.7
143.03448	0.8
145.02795	0.5
147.04510	0.5
149.02357	0.7
149.04454	0.9
149.05920	0.4
151.00320	1.5
151.07620	0.6
152.01068	1.8
153.01802	0.9
159.04430	2.1
161.02400	3.6
161.04489	0.9
162.02928	0.5
163.00340	0.5
163.03952	1.8
163.06039	1.8
165.01866	1.6
173.06090	0.7
175.00401	0.7
175.03938	0.9
177.01909	0.9
178.99814	0.5
179.03575	0.4
183.04443	1.8
183.08102	0.8
195.08138	0.5
196.05278	0.8
197.06123	1.1
210.06874	0.7
211.07587	1.1
221.06436	0.4
224.04840	1.0
225.05466	0.6
225.12012	0.4
237.05508	0.4
239.07306	2.0
249.05455	0.5
253.05083	4.1
254.05910	1.0
255.06595	0.7
269.04581	5.2
270.04852	0.5
281.04657	6.8
281.07730	0.6
282.05368	2.7
283.06177	52.4
284.06473	3.3
293.04587	2.2
294.05261	1.0
295.06143	5.5
296.06491	0.6
307.06070	0.5
308.03265	1.0
309.04092	1.4
311.05673	69.0
312.06021	5.7
313.07364	1.2
314.04483	1.9
323.05618	9.3
324.06073	1.4
325.07166	1.1
331.24957	0.8
339.05029	0.9
341.06726	20.3
342.07126	1.4
353.06693	2.5
355.08701	0.6
383.07877	1.0
387.27533	1.5
393.29739	0.5
397.09668	0.5
399.10919	1.2
431.09952	9.9
432.10117	1.0
441.08240	0.8
457.12067	0.9
473.34830	1.0
475.08917	100.0
476.09271	10.0
499.33154	1.0
517.26752	0.7
517.34113	1.9
560.31854	2.4
561.14435	4.2
561.25793	1.6
561.33771	3.4
562.14191	0.7
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
59.01262	18.7
61.98718	3.9
62.02529	0.6
71.01268	2.9
78.95815	0.9
83.01326	0.7
85.02880	0.7
89.02332	2.9
96.95905	0.8
101.02338	3.4
113.02357	1.4
119.03438	0.9
152.99529	1.1
161.04485	1.1
196.08957	0.8
200.37000	0.7
235.08266	1.8
253.09290	15.4
254.09718	1.1
263.20200	100.0
264.20532	7.4
273.55780	0.7
310.92749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2195
Annotation	14beta-Hydroxy-10-deacetylbaccatin III
Peak:m/z	Relative Intensity
55.01764	0.8
56.76927	0.4
57.03334	1.0
58.00481	1.8
59.01264	63.2
59.79616	0.3
60.01602	1.0
61.98708	1.0
65.03841	2.9
67.01784	0.8
69.03337	0.9
71.01269	34.9
71.31320	0.8
72.01615	0.6
72.99203	2.1
73.02834	31.9
74.03193	0.5
75.00753	0.8
81.03357	0.5
83.01276	10.0
83.04908	0.5
85.02839	6.7
87.00769	2.6
89.02334	8.8
91.05429	8.6
91.05953	0.6
93.03339	2.5
94.07665	0.4
95.01277	2.1
97.02856	1.2
99.00790	1.8
99.04384	0.7
101.02344	25.4
102.02706	0.4
103.05446	0.4
107.04923	0.8
108.02088	1.5
109.02858	32.8
110.03189	1.0
111.00822	0.3
113.02356	9.7
119.03427	2.8
119.04913	0.4
121.02871	14.3
122.03270	0.4
124.01659	0.4
125.02368	2.5
131.03438	1.3
133.02890	1.2
134.03668	0.4
135.04446	71.2
136.04773	2.6
137.02394	0.3
143.03448	1.3
143.04971	0.4
143.10573	0.4
147.04459	5.3
147.31047	0.3
149.04446	0.3
149.06010	0.4
151.00302	0.5
159.04433	0.9
160.05278	0.5
161.02301	0.6
161.04494	2.3
161.05786	0.4
165.01857	0.4
173.06010	1.6
174.03197	0.3
174.06758	0.5
175.07587	0.4
185.06042	0.8
187.07610	0.9
187.14859	0.3
188.08463	0.7
189.09184	2.6
193.08708	0.7
197.06036	0.3
199.07603	1.7
200.08481	1.6
201.09062	0.6
202.02756	0.4
203.10901	0.4
213.09247	0.9
215.10786	5.8
216.11230	0.5
217.05089	0.8
223.07703	0.4
225.05557	0.5
252.11646	0.4
267.06653	0.7
269.08124	0.6
278.13330	0.4
279.06796	0.6
279.10205	0.6
280.11032	0.4
289.08090	0.3
293.08279	0.5
297.07645	0.5
304.11325	0.5
305.11823	0.7
307.09738	1.9
319.13422	1.2
321.11478	0.5
322.12076	2.3
323.12668	0.6
337.14511	44.8
338.14874	5.0
355.08408	0.4
355.11945	0.4
355.15591	5.8
356.16171	0.8
383.11633	0.4
397.69168	0.3
411.11270	0.5
425.12650	0.5
499.19873	19.7
500.20059	3.8
512.84320	0.3
513.13635	0.4
517.20892	45.3
518.21149	7.8
532.31238	0.4
559.22040	100.0
560.22418	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04271	0.1
57.03322	0.3
59.01268	3.5
61.22664	0.1
61.98722	0.9
65.03850	1.9
67.01769	0.6
70.67358	0.3
71.01275	1.8
72.99199	0.5
73.02835	0.4
75.00761	1.0
79.05416	0.1
81.03367	0.1
83.01283	0.5
85.02843	1.6
87.00782	0.7
89.02347	0.6
91.05432	8.1
92.05775	0.3
93.03369	2.1
95.01281	0.3
95.04913	0.1
95.56898	0.1
97.02861	0.1
99.00797	0.7
101.02369	0.6
103.00270	0.1
105.07027	0.4
107.04947	0.8
108.02074	1.3
109.02863	23.7
110.03197	0.8
111.00841	0.1
113.02356	1.6
114.02690	0.1
119.04924	0.3
121.02875	13.8
121.06468	0.2
122.03083	0.2
122.03658	0.5
123.04450	0.9
123.08051	0.4
125.02352	0.3
127.03957	0.1
128.99190	0.1
129.01811	0.1
133.02896	1.9
133.06531	0.3
134.03690	1.9
135.04449	78.9
136.01558	0.3
136.04761	3.9
137.06013	0.4
144.52765	0.1
147.04453	10.4
148.05267	2.7
149.02339	0.2
149.05975	0.5
150.06802	0.4
151.00339	0.1
151.03928	0.2
157.01407	0.2
159.04437	0.4
160.04005	0.4
160.05241	0.6
161.02347	0.8
161.04582	0.2
161.06000	0.9
161.09673	0.2
162.03215	0.1
162.06790	0.7
163.06084	0.3
163.07590	0.9
171.08121	0.2
171.84789	0.1
173.06029	0.2
173.09625	0.4
175.02437	0.1
175.07565	0.2
177.05525	0.3
182.05804	0.5
183.08124	0.1
184.08881	0.2
185.02240	0.1
191.10744	0.7
193.08734	0.2
194.05792	0.7
195.13834	0.4
197.09662	0.1
199.07614	0.7
200.08337	0.2
201.09192	0.7
205.08720	0.2
207.10249	1.5
210.06795	0.2
211.07607	0.4
213.05522	0.2
215.07051	0.2
217.08713	1.1
221.15361	0.2
223.13434	0.2
225.09213	1.2
226.10036	0.4
227.07034	0.6
228.07912	0.4
233.11844	8.5
234.12257	0.6
235.07478	0.3
235.09764	3.9
236.10263	0.3
241.08565	0.3
243.10042	0.1
249.06049	0.3
251.07184	0.7
252.07924	0.6
253.08696	0.2
254.05858	0.9
255.06645	1.2
255.10365	0.2
267.07285	0.3
267.10263	0.3
269.08234	6.7
270.08902	2.3
271.09198	0.2
275.09381	0.2
283.09802	0.7
284.07080	0.2
284.10483	0.4
285.11359	2.5
286.11768	0.3
287.09100	0.2
291.19684	0.3
293.08252	0.3
309.20807	0.6
316.09653	0.1
337.14499	0.6
355.15576	100.0
356.15918	12.2
379.15625	0.3
397.12915	1.7
398.13330	0.2
479.25021	0.2
499.19827	1.0
500.19705	0.2
517.20978	0.4
541.26343	0.2
559.18890	4.0
559.27911	4.9
560.19635	0.5
560.29242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67254	0.3
57.03321	0.6
59.01262	10.2
61.98716	2.4
63.88853	0.2
65.03849	2.5
67.01785	0.7
71.01270	1.6
71.59728	0.4
73.02829	0.4
83.01272	0.4
85.02851	0.5
87.00822	0.6
89.02327	0.3
91.05427	7.4
93.03368	2.0
99.00803	0.3
101.02343	0.5
107.04942	0.3
108.02086	1.5
109.02860	26.4
110.03189	0.9
113.02371	0.4
115.45998	0.2
119.04965	0.4
121.02867	13.1
122.03225	0.3
123.04450	0.3
125.02380	0.5
133.02901	1.0
135.04446	72.6
136.04767	2.9
137.02406	0.3
147.03291	0.6
147.04449	9.1
148.01591	0.4
148.05177	0.7
149.06038	0.5
152.01114	0.8
153.01889	0.5
159.04420	0.6
160.05214	0.3
161.02367	0.7
161.04552	0.4
161.05939	0.3
175.03938	0.3
177.05528	0.3
179.06975	0.4
187.07590	1.3
188.04745	0.4
189.05629	0.4
191.03569	0.3
191.07065	0.3
192.07909	0.7
199.07668	0.4
201.09175	0.9
203.07181	0.4
204.07831	0.5
205.08694	1.5
206.09515	0.4
207.08310	0.4
207.10220	2.9
211.07596	0.3
213.09335	0.5
217.08723	0.3
218.09500	3.8
219.10136	1.1
225.09195	1.4
227.07162	0.9
230.09525	0.3
231.10292	1.3
231.79967	0.2
233.11839	11.2
234.12212	0.7
241.08672	0.6
245.11870	0.8
251.07155	0.8
254.05888	0.8
255.06590	0.7
269.08252	4.5
270.08670	0.6
270.12820	0.3
274.71420	0.3
287.16556	0.3
296.14148	0.4
298.12210	0.6
305.11765	0.3
311.09427	0.3
311.12918	0.8
312.13669	0.2
313.14517	0.5
322.12231	1.0
323.12714	0.4
325.10852	0.9
337.14600	1.0
340.13196	1.6
355.15573	100.0
356.15912	13.2
396.11938	0.3
397.12836	0.9
397.20428	0.5
499.19785	0.9
499.33105	0.4
500.20181	0.3
517.21027	0.4
559.21454	4.3
559.31494	0.4
560.22723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
57.03331	1.2
59.01263	13.6
61.98466	0.3
61.98718	2.7
65.03836	0.4
66.89703	0.2
67.35223	0.3
68.99677	0.2
69.92121	0.3
71.01265	5.1
72.99197	1.2
73.02850	1.4
75.00768	1.2
83.01274	1.7
83.04906	0.5
85.02847	2.6
87.00766	1.8
88.98724	0.6
89.02332	1.5
89.41610	0.2
91.05411	0.4
93.03370	0.9
95.01276	0.5
95.06765	0.3
98.19769	0.8
99.00785	1.0
101.02345	2.9
107.01266	0.3
108.02086	0.6
109.02861	3.6
111.04428	0.6
113.02328	2.2
115.03952	0.4
117.03371	0.3
119.03420	0.4
119.04943	0.7
121.02863	1.0
123.04413	0.5
125.02357	2.3
126.62302	0.3
132.02097	1.5
133.02890	0.8
134.03629	0.5
135.04446	5.9
137.02356	0.6
141.09161	0.4
143.03481	0.3
145.02841	0.4
147.04466	0.5
149.02397	0.9
151.00337	1.2
151.03903	0.3
161.02370	0.7
161.04495	1.0
167.03462	0.4
174.03188	1.0
175.03912	0.3
177.01830	0.4
179.10730	0.3
186.03218	0.4
187.07590	1.6
189.09091	0.5
202.02702	4.4
203.03328	0.5
203.07153	0.6
204.07568	0.3
207.06584	0.5
209.11794	0.8
213.09233	0.3
214.02713	2.0
215.03513	0.4
215.07045	0.4
217.08713	0.3
223.07719	0.7
225.05452	0.3
227.07178	0.6
229.08708	0.4
233.08189	4.0
235.09793	0.5
237.05902	0.3
239.07089	0.6
244.07272	0.3
245.08253	0.6
250.06505	0.4
251.07263	1.8
251.16556	1.1
252.04251	0.4
253.05115	1.0
253.09242	0.6
255.06676	0.9
263.07169	1.7
264.07813	0.3
266.05933	0.6
267.06750	1.5
268.07422	0.4
269.04614	0.5
271.06189	2.1
272.06726	0.4
273.07709	0.4
277.05093	0.5
279.06555	1.6
280.03812	0.8
280.07233	0.6
281.04562	1.3
281.08096	0.6
283.06088	0.6
293.04599	0.8
294.05377	1.3
294.08722	0.4
295.06158	5.2
296.06885	2.3
297.07452	0.5
299.05579	0.3
306.05307	0.5
307.06177	4.0
308.06885	1.8
309.07507	0.4
309.20816	0.3
319.10034	0.4
323.05707	1.5
323.08997	0.4
323.18674	1.2
325.07178	0.8
326.07849	0.8
328.05786	0.5
329.23419	0.4
335.05597	0.6
337.10806	1.4
348.09863	0.5
349.10675	0.9
351.08762	0.6
353.06461	0.6
353.10297	1.0
354.11139	0.3
355.11920	5.2
356.12341	0.6
365.10385	1.5
366.11124	7.7
367.11661	1.8
377.10226	0.4
378.11179	10.4
379.11832	3.3
380.12347	0.5
396.12213	24.0
397.13016	7.4
398.13654	0.5
439.14206	0.4
471.20328	0.3
478.13885	0.6
478.64111	0.3
490.11237	0.5
528.27808	0.8
528.77820	3.8
529.17401	1.1
529.28046	1.2
541.17456	2.7
559.18335	100.0
560.18677	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	559.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27453	0.2
51.95674	0.2
57.03344	0.4
59.01266	1.9
61.98722	0.3
65.03850	2.4
67.01769	1.1
71.01274	0.8
72.76694	0.2
73.02835	0.2
79.05436	0.7
80.02554	0.2
81.03376	0.3
81.07002	0.6
83.01279	2.7
83.04940	0.3
85.02840	2.3
87.00765	0.3
91.05433	8.1
92.05760	0.2
93.03355	2.0
101.02340	0.5
103.05455	0.3
105.07005	3.6
105.31631	0.2
107.04941	3.2
108.02094	1.5
109.02861	24.3
110.03195	0.7
110.27357	0.2
113.02398	0.2
119.08590	0.4
121.02871	12.8
121.06500	0.7
122.03705	0.6
123.04441	0.9
123.08079	3.8
125.02377	1.0
125.30759	0.2
127.03925	0.9
131.04984	0.3
133.02885	2.1
133.06525	0.6
134.03682	1.8
135.04448	81.1
136.01601	0.4
136.04764	3.2
137.02306	0.3
137.06030	0.3
138.03113	0.3
143.08554	0.4
145.06512	0.4
147.04453	9.8
148.01599	0.3
148.05278	2.4
149.02393	0.8
149.06017	2.4
149.09602	0.3
150.06697	0.4
151.03970	0.3
151.07503	0.2
157.06497	0.6
159.04430	0.7
159.08156	0.3
160.05234	0.7
161.02397	5.3
161.06018	1.0
161.09633	1.7
162.03040	0.4
162.04485	0.2
162.06815	0.8
163.07579	1.0
167.10788	0.5
170.61537	0.2
171.08121	0.7
173.06003	0.2
173.09665	2.8
175.03886	0.5
175.07671	1.5
176.08319	0.4
182.05759	0.5
183.08076	0.2
185.02478	0.5
187.03983	0.2
187.07668	0.3
189.05533	0.3
189.09207	0.5
191.10735	6.3
192.11024	0.4
193.08669	1.1
194.05826	0.7
199.07666	0.7
200.08368	0.3
201.09238	0.7
203.07176	0.3
204.07896	0.3
205.08720	0.8
207.10190	1.7
211.07785	0.4
215.07028	0.3
216.08044	0.3
217.08698	10.6
218.09000	0.7
223.07539	0.3
225.09218	0.8
226.09924	0.4
227.07104	0.7
233.11848	9.0
234.12164	0.7
235.09766	36.9
236.10124	2.4
241.08696	0.5
243.10313	0.3
245.08138	0.3
251.07141	0.7
252.07936	0.9
254.05888	0.9
255.06610	1.6
255.10341	0.4
257.08017	0.5
267.10300	0.6
269.08246	7.4
270.08896	2.7
275.09354	0.9
283.09894	0.9
284.10422	0.4
285.11322	2.5
287.09277	1.7
288.09702	0.3
337.14471	0.6
351.12433	0.4
353.14084	0.3
355.15576	100.0
356.15894	10.4
379.11923	0.9
397.12997	10.4
398.13162	1.2
454.32813	0.2
499.19821	0.6
559.18201	31.8
560.18610	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38386	0.4
55.01770	1.3
57.03333	1.4
58.00481	3.2
59.01264	72.2
60.01599	0.8
61.98720	0.9
71.01268	40.2
71.51553	0.7
72.01608	0.4
72.99195	4.5
73.02828	2.7
75.00753	0.5
81.97422	0.3
83.01274	2.9
85.02840	8.4
87.00752	2.0
89.02336	38.5
90.02675	0.5
95.01292	2.7
101.02345	25.6
102.02678	0.4
109.02866	1.7
113.02352	12.9
117.03371	0.7
119.03419	17.0
121.02905	0.9
124.01607	0.4
125.02384	1.6
131.03427	1.7
131.05016	0.3
132.02063	0.6
133.02896	0.9
135.04456	3.4
143.03448	2.4
147.04460	0.7
149.04520	1.0
151.03970	0.6
161.02383	0.5
161.04549	2.0
169.04926	0.5
177.99052	0.4
179.05583	3.3
182.04111	0.4
191.03513	3.8
215.03453	1.7
215.10831	0.5
235.07640	0.4
249.05653	0.5
263.07156	1.0
264.08026	0.5
265.08853	0.6
267.06873	0.5
271.06192	0.8
279.06790	1.3
280.07489	0.4
291.06714	0.4
293.04486	0.6
297.11310	0.4
299.02103	0.4
301.10953	1.1
307.06250	2.6
308.07016	6.6
309.07709	13.8
310.08072	1.6
337.14487	1.4
340.05768	1.1
349.10678	0.5
355.11850	0.7
355.15521	2.5
356.16159	0.4
361.10599	0.5
379.11942	63.6
380.12253	7.5
380.16644	0.7
397.13022	0.8
489.29999	0.4
517.21271	1.0
517.29242	0.4
559.18286	100.0
560.18665	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	559.1833
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
59.01266	1.2
60.53563	0.2
61.98717	0.2
69.55794	1.6
71.01257	0.4
85.02841	0.3
89.02316	0.2
93.03345	0.3
96.21721	0.2
101.02348	0.2
117.03358	0.3
119.04932	0.3
121.02792	0.2
123.04445	0.2
125.02393	0.2
132.02092	1.7
132.97275	0.2
133.02826	0.3
135.04446	0.2
147.04419	0.2
168.40741	0.2
174.03181	1.4
175.03925	0.3
186.03253	0.4
187.03883	0.2
190.85141	0.2
200.71254	0.2
202.02690	5.7
203.03291	0.7
207.08182	0.3
211.07611	0.2
214.02710	1.4
215.03297	0.2
223.07648	1.0
225.05560	0.3
232.03725	0.3
235.07639	0.4
236.04846	0.3
237.05446	0.3
239.07123	1.7
249.05693	0.5
250.06326	0.5
251.07158	3.1
252.04413	1.0
252.07698	0.9
253.04987	0.7
253.08408	0.2
263.07190	1.3
264.07910	0.7
265.05222	0.4
266.05795	0.5
267.06671	4.0
268.07440	1.0
269.04492	0.2
269.08179	0.5
271.06180	0.5
277.05106	0.4
278.05884	0.6
279.06677	2.1
280.03839	3.2
280.07321	0.7
281.04538	1.6
281.07724	0.4
282.04929	0.3
293.04672	0.4
294.05307	1.8
295.06152	10.1
296.06912	12.5
297.07486	2.3
306.05313	0.3
307.06137	3.3
308.06927	9.7
309.07632	2.8
310.08063	0.3
325.07227	2.0
326.08014	10.6
327.08633	2.5
328.05829	0.3
331.09979	0.2
337.10864	0.3
347.09476	0.3
348.10165	0.9
353.96942	0.2
358.06934	0.2
359.09534	0.2
360.10272	0.7
361.10602	0.4
366.11182	0.7
378.11212	2.5
379.11609	1.4
380.11893	0.2
396.12192	7.5
397.12949	2.2
430.12708	0.4
443.09918	1.5
457.11505	0.7
458.12140	2.1
459.13138	1.1
471.13000	2.3
472.13513	0.3
487.12308	0.3
489.14117	4.7
490.10977	5.9
491.11508	0.6
502.11487	0.8
520.12384	1.5
521.12872	0.3
523.16284	0.3
529.17590	0.2
541.17303	1.7
542.17438	0.5
559.18304	100.0
560.18640	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	559.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19475	0.1
57.03323	0.3
59.01267	2.9
61.98716	1.6
70.41625	0.7
71.01261	1.0
71.04885	0.2
72.99220	0.2
73.02838	0.4
75.00789	0.2
83.01292	0.3
83.04878	0.2
85.02844	0.5
87.00780	0.8
89.02335	0.5
93.03351	0.5
98.19897	0.2
99.00745	0.2
99.04414	0.4
101.02328	0.7
107.01285	0.3
107.04932	0.2
109.02874	0.2
113.02352	0.7
117.03402	0.8
119.03426	0.3
119.04926	0.8
121.02861	0.4
123.04439	0.3
125.02361	0.4
131.07112	0.4
132.02104	1.7
133.02986	0.2
135.04393	0.5
137.02391	0.4
141.09145	1.0
143.03413	0.2
149.02429	0.3
149.06053	0.2
151.00296	0.6
151.88510	0.2
159.02928	0.2
159.04460	0.2
161.04543	0.3
163.03926	0.4
165.21198	0.2
169.06552	0.2
175.02574	0.2
175.03926	0.9
177.01884	0.3
187.03925	0.6
191.03455	0.3
195.08145	0.4
199.07657	0.5
202.02672	0.7
203.03484	0.6
204.04274	0.3
205.05104	0.5
207.03032	0.5
207.08173	0.4
211.07663	0.2
215.03455	0.7
216.04282	0.6
217.08684	0.5
221.06094	0.3
222.06784	0.2
223.07695	1.4
235.07666	0.7
236.04518	0.2
237.05611	0.5
238.06264	0.3
239.07158	1.6
243.52289	0.2
249.05693	0.3
250.06345	0.6
251.07166	2.4
252.07890	0.8
253.05168	0.5
253.08673	0.3
262.06390	0.2
263.07135	0.8
264.07901	0.6
265.05185	0.6
266.05780	0.6
267.06668	4.0
268.03839	0.8
268.07138	0.9
269.04581	1.8
269.08215	0.8
270.04990	0.2
271.06088	1.5
278.05719	0.2
279.06693	4.5
280.04144	0.3
280.07272	0.9
281.04581	1.4
281.08194	0.7
282.05338	0.3
282.08270	0.2
291.06723	0.3
293.04675	1.1
294.05496	0.9
295.06189	8.0
296.06949	13.7
297.07648	6.8
297.11093	0.3
298.08084	0.4
307.06201	4.1
308.06946	10.9
309.07648	3.3
325.07239	24.6
326.07980	22.7
327.08621	4.4
327.21738	0.3
328.09122	0.2
348.10172	0.4
349.10818	0.4
358.06842	0.4
360.10001	0.5
361.10867	0.4
378.11218	2.0
379.11932	1.0
396.12222	5.0
397.12955	1.4
459.13034	0.7
471.13193	2.3
472.13388	0.2
488.13071	0.8
489.14114	9.9
490.14365	1.1
497.31201	0.3
511.16522	0.2
515.32251	0.4
520.12341	4.2
521.12573	0.5
541.17303	2.0
542.17798	0.2
559.18329	100.0
560.18658	15.9
560.29022	0.2
560.32251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.7
58.68252	0.3
59.01265	7.4
61.48653	0.3
61.98719	3.9
64.40514	0.3
71.01268	1.8
72.99179	0.3
73.02850	0.4
76.06034	0.3
82.82964	0.3
83.01270	0.5
83.68033	0.3
85.02850	0.8
87.00751	0.7
89.02308	0.7
97.02821	0.4
99.00778	0.7
99.04427	0.6
101.02350	1.1
106.66835	0.3
107.04925	0.3
109.02816	0.4
113.02363	0.9
119.04951	0.3
121.02869	0.4
125.02370	0.7
135.04398	0.5
148.01430	0.3
149.02385	0.4
153.44162	0.3
155.00407	0.3
159.04372	0.4
161.02374	0.4
162.03085	0.3
163.04027	0.4
163.11186	0.4
165.05446	0.3
173.06061	0.4
174.03227	0.3
175.03896	1.2
181.12253	0.4
185.06029	0.4
187.00285	0.3
187.03960	0.5
188.04770	0.8
189.01796	0.3
189.05540	3.0
190.06297	1.7
201.05521	0.6
203.03497	1.1
205.05005	0.7
207.10211	0.5
209.11812	1.0
213.05646	0.4
215.03549	0.9
215.07220	0.4
216.04243	0.5
217.05019	0.7
225.11317	0.9
229.04999	0.7
230.05765	0.4
231.02956	0.7
232.03804	0.6
239.03600	0.4
240.04146	0.5
243.12296	0.5
251.03479	0.5
257.04568	0.6
263.07178	0.4
265.08679	0.5
267.03217	0.4
269.00912	1.0
269.04254	0.4
271.06134	0.4
279.03036	0.5
279.06671	0.3
281.04532	0.4
282.05771	0.4
283.02493	1.0
284.03052	0.3
291.06863	0.6
293.08273	0.9
294.08926	0.8
295.02536	1.9
295.05646	0.5
297.00510	1.9
297.03751	0.6
298.01022	0.5
305.08096	0.4
306.05087	0.3
307.06253	0.7
309.04245	0.6
309.07666	0.6
310.08627	0.5
311.02173	0.6
311.05698	0.6
311.22150	0.4
312.02896	2.7
320.06625	0.3
321.07706	1.6
322.08603	0.7
323.02042	1.1
323.05688	2.4
326.04413	0.6
335.05606	1.2
335.09357	0.4
337.07245	1.4
337.11011	0.8
338.04324	0.9
338.07935	4.3
339.04956	0.7
339.08737	0.7
341.06601	0.6
347.06253	0.3
349.07117	0.6
350.07968	2.4
351.05124	0.6
351.08902	1.3
352.09546	1.0
353.06577	1.4
353.10449	2.1
355.15494	1.1
363.08749	1.0
365.06650	1.2
365.10709	0.5
366.07434	6.5
366.10999	0.5
367.08087	2.0
367.11890	1.6
377.10321	0.7
378.11200	1.3
379.07846	0.6
379.12012	1.3
380.08826	1.9
381.09866	21.1
382.10229	3.2
395.11407	4.0
396.12213	6.2
397.12982	14.1
398.13260	2.0
438.38327	0.3
489.10385	0.5
501.10425	0.7
515.16180	0.5
515.28949	0.4
527.28601	1.9
529.13818	0.5
543.15234	1.9
544.16046	9.6
545.16309	1.1
559.18335	100.0
560.18683	16.0
560.25769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.8
59.01261	5.6
61.98716	1.9
65.00206	0.3
67.01794	0.2
68.99728	0.5
70.73267	0.2
71.01271	2.7
71.53899	0.2
71.54375	0.3
72.99206	0.6
73.02821	0.7
75.00764	1.7
79.01778	0.3
83.01292	0.5
85.02854	2.8
87.00768	0.9
89.02328	0.7
89.03860	0.4
93.03353	0.8
95.01279	0.7
96.95953	0.3
97.02808	0.2
99.00774	1.0
101.02340	1.0
103.00269	0.3
107.04893	0.4
108.02084	0.4
109.02857	1.6
109.06490	0.4
113.02359	3.0
117.03376	0.3
117.63759	0.2
119.04930	0.5
121.02840	0.7
122.03606	0.2
123.04427	0.2
124.01600	0.3
125.02383	1.2
127.07553	0.5
129.01877	0.3
131.04941	0.3
132.02136	0.4
133.02876	3.0
133.06500	1.3
135.04439	0.5
136.01581	0.3
137.02347	0.4
137.05988	0.3
147.00864	0.3
147.04462	0.4
148.01585	0.9
149.02406	1.1
149.06064	0.5
150.03268	0.2
151.00372	0.3
151.03932	0.4
152.01086	0.2
153.01938	0.3
157.01405	0.4
159.04417	0.4
161.02396	1.7
163.00330	0.3
163.03912	0.6
164.01086	0.8
165.01888	1.3
165.09158	0.3
171.10246	0.3
173.06035	0.4
174.03172	0.6
175.03947	1.5
175.07591	0.3
176.01074	0.4
176.08296	0.4
177.01923	1.8
177.09108	0.8
185.06032	0.3
187.03978	0.3
187.07584	0.7
189.01906	3.7
189.05528	1.1
189.09169	0.4
190.02512	0.3
191.03442	0.5
195.10205	1.9
195.13922	0.5
200.01176	0.5
201.01926	2.0
201.05563	2.8
201.09200	0.4
202.02725	0.6
203.03476	0.3
203.07123	1.0
204.07874	1.8
205.08643	0.6
205.12146	0.2
207.02916	0.8
212.04803	0.3
213.05511	0.6
215.03574	0.3
215.07118	0.8
216.04132	0.3
217.05101	1.5
217.08687	0.3
219.02983	1.9
219.10283	0.7
220.03539	0.2
223.13489	0.3
225.05635	0.7
227.03456	0.3
229.05103	0.4
229.08658	0.4
231.06714	1.5
232.07411	2.4
233.08151	0.8
238.06268	0.3
239.07112	0.3
241.04964	0.5
242.05670	0.4
243.06764	0.6
244.07498	1.2
245.04492	0.3
245.08185	1.3
249.06154	0.9
251.03802	0.3
251.07141	0.3
253.05113	1.5
254.05656	0.3
255.06650	0.5
256.07254	0.3
260.06833	0.2
261.07822	0.4
262.08505	0.3
263.09247	1.0
266.09421	0.3
267.07019	0.9
267.10339	0.7
269.04593	0.7
269.07675	0.2
271.06226	0.3
279.06644	0.8
279.10083	0.3
281.04608	0.9
283.06195	1.3
285.11560	0.3
291.06805	0.4
291.19861	0.5
293.04779	0.5
295.06183	1.1
295.09427	0.3
296.03485	0.3
296.06787	0.4
297.04160	0.6
298.04922	0.6
299.05643	0.3
307.06165	0.3
308.10675	0.6
309.11267	0.3
309.20807	0.8
310.64496	0.3
311.05722	1.3
322.12076	0.3
323.05688	3.4
323.12903	0.9
324.05997	0.4
325.07111	0.4
327.04758	0.2
335.05612	0.7
335.12924	0.5
337.10764	1.1
338.11395	0.4
339.12167	0.4
341.06726	0.9
351.08618	0.5
351.12436	0.3
352.13223	0.8
353.06720	2.9
353.13663	1.4
354.06989	0.4
354.14273	0.4
355.15445	0.6
365.10397	1.0
366.11121	2.9
367.12119	1.0
378.11124	1.5
379.11813	2.3
381.09854	0.6
395.11493	1.1
396.12152	16.5
397.12753	11.3
398.13455	1.1
431.26688	0.2
459.09418	1.2
460.10028	1.6
469.15366	0.3
499.29764	0.3
529.17352	0.5
541.17432	1.6
541.26343	0.6
542.17841	0.4
559.18408	100.0
559.27545	11.4
560.18701	17.5
560.28137	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71190	0.2
52.92538	0.1
57.03340	0.3
59.00993	0.3
59.01266	3.2
61.98710	1.2
62.48798	0.2
63.19035	0.2
68.73131	0.2
69.68338	0.3
69.68744	1.0
70.56348	0.2
71.01263	1.2
73.02831	0.3
75.00760	0.4
83.01256	0.2
85.02846	0.9
87.00751	0.6
88.98663	0.2
89.02339	0.6
93.03356	0.2
99.00762	0.4
99.46301	0.2
101.02340	0.8
108.02032	0.2
109.02868	0.8
113.02348	0.8
119.04906	0.2
119.88598	0.2
121.02857	1.2
125.02352	0.4
133.02867	1.8
133.06534	0.3
135.04420	0.5
137.05977	0.2
139.03958	0.3
147.04388	0.2
148.01616	1.2
149.02408	1.1
150.03136	0.4
151.00269	0.2
175.03917	0.8
177.01833	0.5
185.06058	0.2
187.04027	0.4
187.07646	0.2
189.01912	0.7
189.05609	0.2
189.09065	0.3
196.05174	0.2
199.07594	0.2
201.01953	0.3
201.05441	0.3
202.02658	0.5
203.03468	0.5
203.07059	0.2
209.06122	0.2
211.03879	0.2
211.07744	0.2
213.01970	0.5
214.02690	0.6
215.03476	2.4
216.03960	0.2
223.07645	0.2
225.05519	0.4
227.03529	1.7
227.07095	0.3
230.28552	0.2
237.05627	0.3
238.06314	0.3
239.07158	0.6
241.05162	0.3
243.06573	0.4
245.04590	0.3
245.08182	0.4
249.05792	0.3
251.07155	0.7
253.05032	0.6
254.05789	0.4
255.06673	0.5
256.07501	0.3
257.08234	0.4
261.05536	0.3
263.09406	0.3
264.04279	0.3
265.04993	0.3
266.05933	0.3
267.06717	1.3
267.10388	0.3
269.04559	0.2
269.08316	0.4
277.05045	0.5
278.05945	0.4
279.06723	1.5
280.03955	0.2
281.04602	0.8
281.07986	0.2
282.05484	0.4
283.06140	1.8
284.06564	0.4
291.06665	0.7
292.03760	0.2
292.07285	0.2
293.04620	0.5
294.05399	0.7
295.06177	2.0
296.06610	0.3
297.04184	0.3
297.07559	0.3
298.04855	0.7
299.67944	0.2
305.04590	0.4
305.08188	0.3
306.05377	0.6
307.06140	0.6
308.06812	0.2
309.04187	0.8
309.07452	0.3
310.04843	0.6
311.05649	6.8
312.06235	0.9
313.07043	0.5
322.04782	0.8
323.05652	26.3
324.06039	3.1
325.07278	1.0
326.07965	0.5
328.05869	0.4
335.05664	10.2
335.09064	0.5
336.06180	1.6
337.07138	0.2
337.10898	0.3
341.06702	6.7
342.07169	0.8
348.10034	0.2
349.10858	0.4
351.08817	1.0
351.12616	0.4
353.06720	19.1
354.07086	2.0
363.08743	0.5
364.09521	0.3
365.10257	0.9
366.11127	10.9
367.11697	2.5
368.12418	0.3
369.13556	0.3
374.06232	0.3
377.10327	0.8
378.11151	7.9
379.11890	5.7
380.12219	0.6
381.09811	0.9
395.11493	0.7
396.12192	55.3
397.12897	26.6
398.13321	2.9
441.92978	0.2
487.12341	0.2
541.17328	0.3
559.18323	100.0
560.18652	18.5
560.25372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03146	0.7
57.03452	1.7
59.01048	6.1
59.01382	17.1
61.98482	1.0
61.98841	3.0
63.02391	0.5
65.03952	0.4
67.01885	0.5
71.00971	1.0
71.01410	4.2
71.05017	0.7
71.59852	0.5
71.60311	0.4
72.98945	0.4
72.99303	0.7
73.02531	0.6
73.02978	2.2
75.00864	0.6
83.01417	0.9
83.05064	1.6
85.03000	2.7
85.06631	0.6
87.00361	0.7
87.00933	3.4
87.04510	0.4
89.02493	2.2
91.05563	0.4
93.03529	1.3
94.84567	0.3
95.01452	0.8
95.04995	0.7
96.95518	0.3
96.96066	0.9
99.00947	1.1
99.04549	0.8
101.02519	2.7
101.06111	0.8
103.04061	0.4
104.11633	0.3
107.01469	0.4
108.02242	1.4
109.03031	3.5
109.06625	0.4
111.04588	1.3
113.02537	2.0
113.06210	0.5
115.00433	0.5
117.02666	0.8
117.03551	3.8
119.03513	0.5
119.05106	0.9
121.01660	1.3
121.03049	36.0
122.03403	1.1
123.04604	1.3
123.08210	0.5
125.02536	4.5
125.06068	0.4
127.00439	0.3
127.04101	0.7
131.03542	0.5
133.01976	0.7
133.03059	9.1
135.00899	0.7
135.04628	2.5
137.02548	1.3
137.06204	0.5
138.04414	0.4
141.09329	7.1
143.03568	0.5
145.03079	1.3
147.04466	2.0
148.01602	1.7
149.02574	1.4
150.03302	1.5
151.00473	1.2
151.07695	0.5
152.01297	1.3
153.02000	0.8
153.05664	0.3
157.03036	0.6
157.08665	0.3
158.03807	0.4
159.04660	1.2
161.02386	10.7
161.04671	1.1
162.02937	0.5
163.00333	2.2
163.04070	0.8
167.07347	0.5
173.02615	1.2
174.03314	0.6
175.00507	0.7
175.02565	0.8
175.03943	5.7
175.07784	1.2
177.02071	1.0
179.03552	0.4
185.02557	0.7
185.06140	0.6
187.04144	0.8
187.07808	0.5
189.02052	1.1
189.05736	1.0
190.02698	0.4
191.03593	0.4
197.06293	0.6
199.04057	0.5
201.02058	1.6
201.05705	0.6
202.99861	2.2
203.03674	0.5
203.07376	0.9
205.05017	0.5
209.06192	0.5
209.12057	0.4
211.04112	0.6
211.07697	0.4
213.05740	0.6
214.02744	1.9
215.03479	1.9
215.07077	2.3
219.03065	0.5
221.06354	0.4
223.07750	0.4
225.05696	0.9
226.02887	1.5
227.03680	1.3
227.07242	0.8
231.03279	0.5
233.04530	3.9
233.08263	0.8
237.05647	1.2
239.03795	0.5
239.07234	0.6
241.05168	0.6
245.04662	0.7
249.05643	0.4
251.07307	0.9
253.05211	1.4
254.05939	0.7
255.06828	0.4
257.04764	1.1
265.05237	1.0
266.06018	0.7
267.06638	2.3
268.03943	0.8
269.04599	26.0
270.04913	2.2
271.06271	1.0
275.05649	0.7
277.05215	1.3
278.05893	0.9
279.06668	4.2
280.04059	0.6
281.01471	0.8
281.04590	12.7
282.05173	1.3
283.06149	6.7
284.06662	0.5
291.06729	1.6
293.04675	8.4
293.07892	0.3
294.05246	2.5
295.02814	0.4
295.06155	9.5
295.09171	0.5
296.06519	0.8
297.04163	1.9
297.07825	1.5
301.03812	1.0
304.07321	0.4
305.04733	1.0
306.05276	0.6
307.06104	4.2
308.03461	0.7
308.06802	0.9
309.04196	1.9
309.07727	0.9
309.11569	1.3
310.04700	0.5
311.05765	1.2
319.06223	1.6
319.09778	0.7
320.06613	0.5
321.04108	17.4
321.07098	0.7
322.04782	3.4
322.08353	0.9
323.05667	19.3
324.06055	2.1
325.07242	0.8
334.04568	0.4
335.05670	17.2
336.06235	2.0
336.09897	0.6
337.07193	2.5
337.10950	7.0
338.07559	0.6
338.11209	0.8
339.04910	0.4
341.06610	0.4
348.10141	0.6
349.07211	1.0
349.10919	0.8
351.05276	2.7
351.08920	2.3
353.06726	21.8
353.13947	1.6
354.07126	2.2
355.11926	37.6
356.12332	4.3
365.06519	2.2
366.07364	8.4
366.11157	1.0
367.08173	1.5
377.06821	1.7
378.07404	13.4
378.11255	1.1
379.07840	3.4
379.12210	0.6
385.26035	1.4
395.07761	33.7
396.08417	65.1
397.08774	12.1
397.13040	2.1
439.10678	0.4
471.28934	0.4
471.33459	0.5
485.11139	0.5
497.30838	1.5
499.32214	1.4
515.32697	2.2
523.34723	0.9
529.16815	1.2
530.27472	0.5
559.14331	100.0
559.31354	9.2
559.77380	0.6
560.14722	16.9
560.29071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04718	0.5
59.01265	100.0
60.01616	0.8
61.28480	0.5
61.98712	0.7
62.87671	0.4
71.01276	4.2
71.51983	0.7
73.02826	0.9
78.95806	0.7
78.98507	0.5
80.48374	0.4
80.96406	6.5
81.95203	1.0
82.95993	5.6
83.01286	0.6
85.02858	1.8
87.00812	0.6
89.02330	0.6
94.98011	1.1
95.01340	0.5
96.11621	0.5
96.97564	1.4
99.00767	0.7
101.02362	2.7
113.02364	1.2
125.09641	1.2
134.97490	0.5
136.59567	0.5
136.96985	0.5
143.10681	0.7
153.66714	0.5
154.98111	0.7
161.04469	2.2
164.98590	1.1
166.98132	0.8
187.09772	0.7
193.07608	0.5
220.25655	0.5
225.00812	1.1
226.01164	0.8
227.00630	1.0
237.09802	8.2
238.03517	0.4
255.23303	1.6
258.33939	0.5
277.21780	69.0
278.22095	6.3
473.83151	0.5
557.28516	20.4
558.28717	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	557.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
61.98708	1.9
65.47462	0.4
70.08524	2.2
78.95786	0.6
88.90296	0.4
94.20583	0.4
97.33627	0.5
99.08062	1.9
129.09138	0.5
141.12773	2.7
155.14375	0.5
214.03616	0.4
239.20146	0.5
241.21732	1.5
267.19705	0.6
269.21277	21.5
270.21582	2.0
285.20737	1.9
287.22339	100.0
288.22687	9.1
557.44348	89.3
558.44702	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	557.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.3
61.98718	100.0
62.98417	0.3
71.51855	0.3
78.95795	1.4
93.50674	0.2
104.50761	0.1
118.96438	0.2
120.45061	0.2
120.45985	0.2
152.99583	0.5
224.06956	0.3
242.75322	0.2
255.23335	2.8
255.25879	0.2
256.23691	2.7
257.23935	1.5
258.24249	0.9
287.22458	0.6
350.06885	0.2
470.34229	0.2
480.31256	1.2
481.31665	0.5
482.31650	0.7
483.31882	2.7
557.32263	0.4
557.44739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.8
59.01264	42.1
61.98712	7.6
63.00937	0.9
71.01266	8.5
71.04903	1.1
72.99198	1.8
73.02445	0.9
73.02842	4.1
75.00774	1.0
78.00527	1.0
79.05417	1.1
81.03349	1.1
83.01293	1.4
83.04911	1.7
85.02847	4.9
87.00776	5.1
89.02355	2.8
93.03352	10.5
95.01295	1.0
96.95905	2.0
97.02847	1.1
97.06494	1.5
98.19817	3.3
99.00768	2.3
101.02351	5.4
103.05426	2.4
107.04940	2.2
108.02069	4.3
109.02881	5.1
111.04397	1.4
113.02351	3.2
116.92729	2.0
117.03384	1.5
119.03352	1.5
119.04929	2.7
121.02892	5.0
123.04467	2.2
125.02377	7.1
131.04951	7.0
132.02042	1.5
133.02895	5.6
135.04454	7.8
137.02376	29.5
138.01900	4.1
141.09138	2.7
143.08531	1.0
147.00719	1.0
147.04407	2.7
148.01587	2.4
149.02382	3.1
151.00298	3.8
151.03918	1.8
152.01105	3.3
153.01840	2.3
161.02399	4.1
162.03075	1.2
163.03929	2.5
164.04707	1.3
165.05534	2.1
173.06107	1.1
175.00330	1.0
175.03911	1.8
175.07585	1.7
176.01035	1.4
176.22832	1.0
177.01883	2.7
185.06038	13.3
187.03966	2.9
187.07623	4.3
193.05005	1.2
193.08669	1.4
200.01195	2.6
201.01868	4.8
201.05627	1.5
202.06447	1.4
203.07100	2.1
215.07253	1.6
217.08710	3.1
226.06319	1.5
229.05135	3.0
243.06654	3.1
253.05035	1.3
254.05887	2.8
261.07593	8.6
269.04599	2.8
271.06253	1.3
273.05719	1.3
289.08536	1.2
293.04498	1.1
297.04211	1.3
303.10400	1.7
305.08270	3.0
307.06134	1.3
315.06897	1.5
315.12485	1.1
327.21753	1.6
333.07770	14.9
334.08295	2.1
335.09558	1.6
337.10977	1.2
347.09363	6.5
348.10095	1.6
350.11734	1.2
351.12460	3.0
353.10248	2.1
353.14008	4.5
357.26645	2.7
361.07202	18.4
362.07700	3.2
363.08609	1.8
375.08881	13.0
376.09546	19.8
377.10336	10.3
383.24326	1.2
393.09750	1.2
394.10861	5.4
395.11398	42.4
395.19064	1.8
396.11792	6.1
469.31808	1.4
508.00900	1.1
539.15704	79.1
540.15979	11.6
557.16742	100.0
557.29199	9.1
558.17188	17.1
558.25354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
57.39968	0.5
59.01265	20.3
61.98719	2.8
65.91695	0.5
68.99761	0.6
69.03339	0.5
71.01273	5.6
71.54244	0.4
72.99175	0.6
73.02834	1.3
75.00750	1.0
83.01289	1.0
85.02834	3.0
87.00759	2.7
87.04399	0.7
89.02338	1.8
93.03360	3.4
96.95911	1.8
99.00785	1.1
99.04421	0.8
101.02362	3.5
101.06004	0.6
107.04926	1.5
108.02064	0.6
109.02852	1.8
111.04417	1.2
113.02360	2.1
115.91972	0.7
116.92762	2.1
119.03403	0.5
119.04949	1.4
121.02885	4.3
121.06493	0.5
123.04427	0.5
124.93903	0.6
125.02378	1.5
131.04941	2.1
133.02876	3.3
134.03645	1.1
135.04448	2.6
137.02379	5.6
138.01926	1.5
141.09169	1.8
147.04434	2.3
148.01624	1.4
149.02377	2.1
150.03154	1.0
151.00314	1.2
152.01088	1.1
153.01915	0.7
157.06589	0.7
159.04431	0.5
159.08087	0.7
160.35704	0.5
161.02448	1.6
161.04399	0.7
162.03212	0.9
163.04045	1.4
164.04761	0.8
165.05582	1.2
171.16566	0.6
175.03995	1.5
175.07507	0.6
177.01857	1.0
185.06059	16.9
186.06508	1.2
187.03960	1.4
187.07579	1.0
189.01909	0.8
193.08678	0.7
200.01131	1.2
201.01849	2.5
201.05489	0.8
203.06999	0.7
211.03778	0.7
213.05602	0.5
217.08679	0.9
218.07423	0.5
225.87494	0.5
226.06381	1.5
227.03484	0.9
229.05038	3.2
230.05627	0.6
239.03358	0.6
240.04472	0.6
243.06749	1.0
253.05150	0.9
254.05942	1.4
261.07593	3.5
263.07404	0.6
269.04755	0.9
271.06302	0.7
273.05667	0.9
289.05258	0.7
289.08752	1.9
291.06458	0.8
293.04959	0.6
297.04089	0.7
305.08286	2.1
305.11456	0.6
306.08789	0.7
307.06131	0.8
309.03961	0.7
315.06793	0.9
317.08276	1.3
318.05411	0.7
327.21783	1.0
333.07739	18.2
334.07959	2.8
335.05740	0.7
347.09332	8.2
348.09683	1.3
351.12479	1.4
353.10315	1.0
353.14096	0.8
357.26447	0.9
359.09396	0.8
361.07266	24.1
362.07748	4.3
363.08942	1.2
365.10300	0.6
375.08813	16.2
376.09576	24.2
377.10233	10.1
378.10599	0.8
379.08215	0.7
383.24548	1.0
393.10019	0.6
394.10596	2.1
395.11435	17.6
396.11945	3.0
469.32166	1.1
495.30176	0.5
496.29779	0.6
508.47577	0.6
513.30774	0.8
539.15704	100.0
540.16016	17.5
557.16760	58.1
557.28967	4.4
558.17029	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	557.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.5
61.98711	0.5
67.01776	0.3
70.99856	0.6
71.00199	0.3
71.01284	0.7
71.21322	0.3
79.01788	1.2
79.05424	0.8
80.49059	0.2
83.04884	0.4
85.02828	1.3
89.01821	0.3
89.02348	0.4
89.03859	0.4
91.01794	0.8
93.03358	0.4
101.02316	0.5
103.05441	2.6
105.41596	0.2
107.04941	3.1
108.02082	0.7
109.02871	2.6
111.04459	0.3
113.02343	0.5
113.03504	0.5
116.43872	0.4
119.04874	0.3
119.08574	0.6
121.02853	1.2
123.04471	0.9
125.02371	1.0
130.57083	0.3
130.58051	0.3
131.04950	7.8
131.08549	0.4
132.02135	0.7
132.05246	0.6
133.02884	5.8
133.06502	0.4
135.00822	0.3
135.04466	0.8
137.02397	0.3
139.03929	0.3
143.08568	0.3
145.02875	0.6
147.04466	0.5
148.01564	1.6
149.02414	2.3
149.71683	0.3
151.00293	1.6
151.03947	1.1
153.01817	0.4
153.10236	0.4
155.08319	0.7
157.02884	0.7
157.06496	0.5
159.04436	0.8
159.08102	1.1
161.02354	1.4
163.00314	0.8
163.07607	0.5
171.08000	0.4
172.01627	0.3
172.05167	0.3
173.02367	1.2
173.06003	0.5
174.03172	0.6
174.06639	0.3
175.03954	1.6
175.07614	2.1
176.01125	1.8
177.01903	1.8
185.06027	1.0
186.06779	0.3
187.04013	1.9
187.07620	4.4
189.05412	0.4
193.08664	1.6
197.06009	0.4
199.04016	0.4
199.07652	2.7
200.01151	2.4
201.01930	7.1
201.05539	1.9
202.02333	0.8
202.06326	1.1
203.07097	1.3
205.08658	0.4
211.04053	0.5
211.07643	0.4
213.05524	1.0
214.06317	0.4
215.03532	0.4
215.07088	1.2
217.08710	4.5
218.05840	0.3
219.06580	0.4
223.07555	0.3
225.05617	0.8
227.07188	0.3
229.05058	1.1
230.05791	1.1
231.06602	1.0
232.07265	0.4
233.08197	0.9
241.05106	0.7
241.08705	0.5
242.05881	0.7
243.06685	4.0
245.04765	0.3
245.08142	0.3
255.06757	0.4
259.06226	0.3
260.06961	1.0
261.07721	12.0
262.08112	1.1
265.08716	0.8
267.06589	0.5
269.04825	0.4
275.10818	0.3
277.08722	0.7
283.09958	0.4
291.06876	0.3
291.10245	0.5
293.11877	0.3
295.06403	0.3
303.10263	0.7
305.08212	0.8
306.09000	0.4
307.06232	0.6
307.09525	0.6
307.47235	0.3
318.32544	0.3
319.09753	0.5
321.04343	0.4
321.07840	0.7
321.11441	1.4
323.09137	0.4
323.12720	0.4
333.07666	0.5
333.11374	0.9
335.09314	0.8
336.09900	0.6
339.07208	0.5
347.18225	0.4
349.07263	0.5
349.11026	1.0
350.07687	0.3
350.11496	1.5
351.12399	2.8
353.14056	0.5
359.09003	0.3
363.08972	1.4
364.09549	1.6
365.10367	1.1
367.11935	1.8
376.09656	1.6
377.10382	9.2
378.10556	0.9
379.07928	0.3
394.10626	7.5
395.11420	87.5
396.11807	11.8
396.15891	0.2
513.17712	0.7
539.15637	1.3
556.27832	0.8
557.16760	100.0
557.28796	2.7
558.17114	18.1
558.26453	0.4
558.29779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03886	0.1
58.30307	0.1
59.01232	0.2
68.72305	0.1
69.72961	0.5
71.01237	0.1
72.21569	0.1
79.05418	0.2
91.01760	0.1
93.03333	0.4
98.20518	0.1
107.04935	0.5
108.02067	0.1
109.02885	0.4
119.01302	0.1
121.02860	0.5
123.04361	0.2
128.95752	0.1
131.04915	0.2
133.02884	0.6
135.04431	0.5
139.03897	0.2
145.02855	0.1
147.04431	0.1
148.01561	0.3
149.02386	1.2
151.04021	0.1
155.08621	0.1
159.04491	0.1
161.02390	0.1
171.08110	0.1
172.05360	0.1
173.02377	0.1
175.03955	0.3
175.07571	0.4
176.01152	0.1
177.01907	0.2
185.06009	0.2
187.03867	0.1
187.07558	0.3
189.01903	0.1
189.09137	0.1
193.08844	0.1
197.06039	0.2
199.07576	0.3
201.01985	0.2
201.05476	0.1
203.03456	0.5
211.07611	0.1
213.05544	0.3
215.03517	0.7
215.07133	0.3
217.08644	0.3
223.03847	0.1
224.04619	0.1
225.05544	0.2
227.03516	0.3
227.07111	0.4
228.07863	0.1
229.04976	0.2
231.02942	0.2
231.06563	0.2
232.86493	0.1
235.07495	0.1
238.06197	0.2
239.07103	0.8
240.07648	0.1
241.05019	1.2
242.05585	0.1
243.06677	0.3
245.08351	0.1
249.09424	0.1
250.06635	0.1
251.07112	0.1
253.05020	0.4
255.06670	1.5
256.07416	2.0
257.08154	0.4
261.07489	0.2
262.09961	0.1
263.07214	0.1
266.05548	0.1
267.06628	0.7
268.07413	0.7
269.08188	0.4
275.10706	0.2
276.07590	0.1
277.08630	0.1
278.05847	0.2
278.09406	0.2
279.06717	0.1
285.07632	0.2
286.08359	0.5
287.06006	0.1
287.09311	0.3
289.08618	0.2
291.06805	0.2
291.10229	0.3
293.08609	0.1
293.11899	0.2
294.05496	0.1
301.08786	0.1
303.06985	0.1
303.10349	0.4
304.07300	0.1
304.10757	0.1
305.08197	0.3
305.11734	0.1
306.08899	0.2
307.06335	0.1
307.09735	0.1
309.04062	0.1
309.11414	0.3
310.11716	0.1
319.09848	0.6
320.10071	0.1
321.07693	0.2
321.11310	0.7
322.04895	0.2
322.08405	0.2
323.09055	0.1
323.12769	0.1
331.09586	0.5
332.10272	0.1
333.11371	0.3
334.04849	0.1
334.08456	0.2
335.05798	0.4
335.09195	0.1
337.10892	1.2
338.11053	0.1
339.12454	0.2
347.09387	0.7
348.09851	0.1
349.07083	0.4
349.10837	1.8
350.07928	1.2
350.11420	0.2
351.08673	0.1
351.12549	0.3
359.09326	0.6
360.09598	0.2
361.07263	0.2
363.08823	0.3
364.09531	0.3
365.10397	2.3
366.10635	0.3
367.11920	2.5
368.12378	0.3
375.08685	0.2
376.09900	0.1
377.10358	4.1
378.10742	0.6
379.08359	0.1
380.08932	0.1
393.09882	0.4
394.10492	0.3
395.11407	100.0
396.11758	12.7
557.16821	2.8
558.17212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57359	0.4
57.03321	0.7
59.01268	6.1
60.01563	0.3
61.84973	0.3
61.98720	2.2
63.62754	0.5
69.24155	4.0
71.01258	2.1
73.02872	0.4
75.00784	0.4
81.03339	0.4
83.01264	0.8
83.04890	0.4
85.02847	0.9
87.00758	0.7
89.02340	0.5
101.02335	1.3
103.61850	0.4
107.01249	0.4
109.02850	1.3
121.02866	1.6
123.04461	0.5
125.02353	1.2
133.02881	1.0
134.35699	0.4
135.04425	1.6
137.02371	0.6
139.03926	0.5
147.04385	0.4
148.01610	1.7
149.02396	2.0
150.03163	1.2
151.03966	0.5
156.52142	0.4
161.02435	0.8
163.03900	0.6
167.03552	0.4
169.12274	0.8
174.03188	1.9
175.07587	0.6
187.07739	0.5
189.01894	1.6
190.02625	0.4
197.11855	0.7
201.01891	0.6
202.02699	5.1
203.03459	0.8
205.08589	0.5
209.11819	1.6
213.09262	0.4
214.02692	2.3
215.03485	4.1
217.08672	1.0
225.05782	0.4
233.08340	0.6
237.05452	0.4
239.07156	1.0
240.04237	0.8
241.05069	0.8
242.05707	0.5
243.02811	0.4
243.06767	0.5
251.07114	0.5
252.04266	0.4
253.05095	0.5
255.06624	0.7
256.07205	0.5
257.08240	1.2
261.07928	0.6
265.04950	0.6
266.05658	0.5
267.06656	2.7
268.03781	0.4
268.07175	0.5
269.04633	0.6
277.05099	0.7
279.06570	1.6
280.03763	0.6
280.07187	0.4
281.04504	0.6
293.04523	0.4
294.05609	0.6
295.06195	2.7
296.03409	0.6
297.04132	0.7
298.04861	0.6
305.04492	0.7
306.05197	0.5
309.04059	2.4
311.05621	3.6
312.06015	0.7
322.04764	1.3
323.05655	51.2
324.05988	5.2
337.10764	1.0
338.11584	0.4
339.12500	0.6
347.09378	0.4
349.10779	0.8
351.05124	4.8
351.08932	1.8
352.05652	0.7
352.09549	2.3
353.10074	0.7
353.13956	1.0
365.10352	5.3
366.11130	28.9
367.11688	6.7
368.12094	0.5
377.10248	1.2
394.10638	35.6
395.11365	44.3
396.11758	5.2
525.27063	1.6
557.16724	100.0
558.17047	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	557.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53365	0.3
57.03318	0.4
59.01264	5.1
61.98717	2.9
62.20500	0.3
65.00237	0.4
67.50517	0.3
67.67961	0.3
71.01263	1.5
73.02831	0.5
75.00780	0.3
80.56321	0.3
83.01286	0.6
85.02837	0.6
85.90896	0.3
93.03374	0.5
98.19751	0.6
101.02352	0.7
107.04951	0.4
108.02052	0.5
109.02874	1.0
109.06470	0.5
113.02374	0.3
118.68993	0.3
121.02869	1.0
124.01575	0.5
125.02363	0.6
132.02036	0.9
133.02893	1.4
133.06517	0.6
134.03615	0.6
135.04446	1.3
137.02394	1.0
145.02921	0.4
147.04434	1.0
148.01590	0.8
149.02380	2.3
149.06067	0.4
150.03137	1.1
151.03929	1.0
151.07602	0.6
159.04436	0.3
160.01607	2.8
161.02351	1.1
161.04521	0.3
163.00246	0.7
165.05536	0.5
171.04510	0.4
173.06024	1.4
175.00339	1.3
175.03957	3.7
175.07722	0.6
187.07623	0.8
188.01109	6.1
188.08426	1.7
189.01836	1.0
191.07161	0.8
193.04987	0.8
197.06163	0.5
199.04010	0.6
200.01193	2.1
201.01900	5.3
201.09148	0.6
209.06097	0.5
211.03966	0.4
214.06351	0.4
214.10074	0.4
216.04187	0.4
219.06613	1.1
225.05577	1.3
226.06261	0.5
227.03523	0.4
228.04138	0.3
229.05038	0.3
237.05638	0.8
239.03546	0.7
240.04274	0.5
241.05141	1.0
243.06628	0.8
245.08264	0.7
253.05162	2.3
255.02853	0.4
264.04428	0.6
265.05130	1.5
267.02979	0.9
269.04547	1.7
270.05261	1.8
281.04611	2.5
282.05118	0.5
283.06183	0.4
284.03470	0.5
297.04080	5.6
297.11331	1.1
298.04819	2.3
309.04108	46.7
310.04584	5.3
311.05502	0.4
323.09354	0.7
324.10214	0.4
325.10867	5.7
326.11359	0.6
330.03934	2.1
337.07321	1.6
338.07993	0.6
338.11682	4.1
339.11893	0.6
351.08939	2.0
352.09579	24.2
353.10336	100.0
353.14023	9.7
354.10699	10.9
354.14212	0.7
395.11377	1.4
396.11948	0.4
477.25024	12.5
497.14828	0.4
534.36981	0.4
557.16730	92.7
558.17120	16.2
558.26172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03315	0.9
59.01269	6.6
61.98719	12.7
69.03309	0.3
71.00952	0.2
71.01270	2.8
71.04906	0.7
71.54505	0.3
72.99176	0.7
73.02840	1.3
83.01281	0.8
83.04907	0.9
83.84042	0.2
85.02849	1.4
87.00232	0.3
87.00774	4.7
87.04436	0.3
88.99525	0.2
89.02322	1.8
90.02675	0.2
93.03347	0.9
93.95097	0.3
95.04893	0.4
96.95898	0.7
97.02828	0.4
97.06492	0.5
99.00768	0.5
99.04411	0.7
101.02342	1.6
101.05977	0.3
107.01328	0.3
107.04921	0.5
108.02077	0.6
109.02834	0.7
109.06495	0.3
111.00749	0.3
111.04403	1.4
113.02369	1.3
115.07529	0.3
117.03378	0.9
117.05497	1.6
119.03411	0.5
119.04968	1.1
121.02886	1.3
122.03667	0.7
123.00816	0.2
123.04423	1.0
123.08066	0.6
125.02374	0.9
125.06005	0.6
127.00297	0.2
127.03955	0.3
127.07581	0.5
131.03458	0.3
132.02086	2.3
133.02843	0.4
134.03662	0.3
135.04442	0.9
137.02345	0.8
137.05960	0.4
137.09552	0.3
139.03870	0.3
139.07579	0.4
140.07050	0.3
141.09158	2.0
143.03424	0.6
145.02907	0.3
145.60097	0.2
147.04411	1.2
149.02380	0.4
149.06084	0.3
151.00311	0.7
151.03981	0.3
151.07553	0.4
152.01064	0.6
153.01906	0.2
159.10152	0.3
160.03966	1.8
161.02335	0.3
161.04451	0.5
163.03917	0.8
164.04720	0.3
165.05527	0.3
170.53053	0.2
171.04465	0.2
174.03186	0.3
175.02351	0.3
175.03781	0.3
175.07336	0.2
177.09149	0.3
179.05482	0.3
179.10643	0.2
183.13904	0.3
185.05991	0.4
186.03136	0.3
187.03993	0.2
191.03535	0.5
193.05096	0.4
197.05984	0.3
198.03101	0.3
199.04053	0.3
201.05542	0.4
202.02699	1.1
203.03371	0.4
204.02837	0.2
205.08554	0.2
211.13377	3.9
212.13826	0.2
213.05681	0.3
214.02711	2.6
214.05893	0.3
215.03432	0.5
215.07236	0.5
217.14368	0.3
223.07790	0.2
225.05559	0.3
226.02696	1.8
227.03473	0.3
228.04327	0.3
233.08057	0.3
235.07547	0.5
236.04742	0.3
239.07126	0.3
241.05049	0.3
242.05869	0.2
243.06569	0.3
251.07220	0.9
251.12837	0.3
252.04329	0.2
253.05119	0.7
255.06462	0.3
257.04352	0.3
262.06424	0.3
263.07184	1.3
264.07742	0.4
265.05200	0.5
267.06699	0.6
268.03848	2.8
268.06976	0.3
269.04599	9.5
270.05005	1.0
271.06134	0.3
275.07141	0.7
277.05045	0.3
278.05859	0.6
279.03165	0.2
279.06607	1.2
279.09369	0.2
280.03879	0.3
280.07227	0.3
281.04584	0.8
281.07990	0.3
289.05133	0.3
289.08597	0.3
290.05951	0.3
291.06619	0.8
291.09985	0.5
292.03900	0.5
293.04733	0.5
294.05371	0.6
295.06055	1.4
295.15439	0.4
296.06918	1.7
301.08801	0.3
303.06732	0.2
303.10110	0.4
304.07452	0.4
305.04602	0.4
305.08087	0.4
306.05417	1.5
307.06204	11.6
307.09604	0.5
308.06818	2.1
309.07556	0.4
311.05554	0.3
318.05396	0.7
318.08881	0.3
319.06219	7.9
319.09760	1.0
320.06671	1.1
320.10184	0.3
321.07526	0.5
325.07327	0.3
326.08014	0.6
328.05878	0.5
331.09882	0.4
333.07773	0.5
335.09244	1.7
336.06485	0.4
336.10107	3.9
337.07278	6.9
337.10837	0.8
338.07660	1.2
340.05795	0.3
346.08539	1.0
347.09314	1.5
348.10025	4.4
349.10800	1.4
353.13794	0.3
358.07053	0.7
359.09259	0.6
363.08957	1.1
364.09598	6.4
365.10303	2.1
366.11176	4.1
366.18390	0.3
367.11819	1.3
375.08652	0.3
376.09598	11.3
377.10214	3.8
378.11337	0.4
394.10669	25.5
395.11359	12.5
396.11911	1.2
409.25739	0.5
413.08853	1.4
414.08701	0.3
431.10126	1.6
439.27045	0.7
469.32254	0.5
495.30161	0.5
496.32440	0.5
497.32458	1.2
499.12543	0.5
511.15817	0.4
513.30627	2.1
521.33600	1.1
527.15674	1.1
529.17181	1.2
539.15100	2.7
539.22540	0.4
539.28424	0.4
540.15656	0.5
557.16705	100.0
557.29193	8.8
558.17059	17.0
558.30481	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2855
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01255	0.8
63.96121	1.2
64.96912	0.2
69.03344	0.5
71.01273	6.8
71.04227	0.6
73.02836	1.4
73.60498	0.2
78.98485	6.1
79.95623	9.7
80.96410	65.3
81.03348	0.9
81.69614	0.2
81.96345	0.3
83.01255	0.3
85.02843	3.3
87.00770	3.0
91.03891	0.2
92.75688	0.2
94.97984	15.8
96.95912	1.0
97.02856	1.6
99.00774	0.5
99.04335	0.2
101.02345	2.3
106.98013	2.9
113.02363	0.3
122.97495	3.0
125.02376	3.1
127.03953	0.8
134.97511	5.2
136.99078	1.7
147.17654	0.2
148.99084	6.0
152.98587	6.2
152.99843	0.3
164.98582	12.2
167.00180	0.5
188.98616	0.4
204.07243	0.2
206.99683	2.2
225.00751	16.5
226.01187	0.3
255.23311	2.6
256.23615	0.3
299.04489	3.2
331.86578	0.2
555.28546	100.0
556.28888	15.1
556.37799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.8
61.98716	1.3
65.00213	0.2
69.82610	0.4
69.83026	0.6
71.01241	0.2
72.00655	0.2
93.03369	0.4
97.02826	0.2
107.04930	0.4
109.02846	0.2
121.02846	0.6
123.04446	0.2
131.04947	0.3
133.02879	0.5
135.00742	0.2
135.04434	0.5
139.03952	0.3
148.01503	0.2
149.02362	0.8
149.05971	0.2
157.06555	0.2
159.04414	0.2
160.31633	0.2
163.00331	0.3
171.08257	0.2
172.05185	0.2
173.06044	0.6
174.03123	0.2
175.03967	0.4
189.05510	0.2
198.03387	0.2
199.03940	0.4
201.01904	0.8
213.05508	0.8
215.03574	0.2
217.05032	0.6
224.04758	0.4
225.05507	0.8
227.03497	1.7
229.04921	0.3
241.05019	2.3
242.05888	1.3
243.03072	0.2
243.06476	0.9
251.10803	0.2
256.00073	0.1
265.08698	0.2
268.03595	0.3
277.05145	0.2
277.08752	0.7
279.06943	0.2
279.10355	0.3
293.04684	0.3
293.08188	0.2
295.09830	1.1
305.08179	1.0
307.06244	0.6
307.09872	0.5
308.03314	0.2
308.06705	0.3
321.04068	0.7
321.07452	0.3
322.08310	0.2
323.09302	3.3
324.09772	0.3
333.07709	2.2
335.05786	0.8
336.06488	0.9
339.47699	0.2
349.07309	0.6
350.07806	0.8
351.08792	100.0
352.09140	10.0
357.28613	0.2
393.09662	0.4
495.13052	3.8
496.13419	0.5
513.13855	0.8
552.12317	0.2
555.15143	1.7
555.30219	0.2
556.15491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.0
61.98688	0.2
65.00196	0.1
69.97656	0.2
69.98052	0.4
71.01263	0.2
79.05440	0.2
88.49879	0.1
93.03353	0.3
101.02281	0.1
103.05418	0.1
107.04916	0.6
108.02103	0.3
109.02860	0.4
121.02854	0.8
124.01588	0.2
129.06979	0.3
131.04929	0.3
132.11490	0.1
133.02873	1.1
135.00792	1.0
135.04430	0.4
139.03920	0.3
145.02922	0.2
147.04517	0.1
148.01579	0.3
149.02412	1.3
149.06009	0.3
155.04869	0.1
157.06506	0.2
158.06854	0.2
159.04416	0.3
163.00278	0.3
171.04469	0.3
173.02403	0.2
173.06044	0.5
174.03137	0.2
175.03951	0.4
183.04454	0.3
187.03926	0.3
189.01868	0.1
197.05981	0.2
198.03186	0.2
199.03952	0.7
201.01981	0.6
201.05556	0.3
202.02650	0.1
213.05519	0.8
213.07327	0.1
214.02562	0.2
214.06290	0.4
215.03456	0.4
217.01422	0.1
217.05078	0.5
223.04068	0.2
224.04745	0.4
225.05548	0.7
227.03491	2.2
228.04053	0.3
229.05003	0.1
235.07428	0.2
240.04311	0.2
241.05069	2.1
242.02182	0.1
242.05820	1.5
243.02939	0.3
243.06619	1.4
249.09663	0.1
251.10814	0.2
252.04245	0.1
260.08481	0.1
261.09210	0.3
263.07162	0.2
264.07968	0.2
265.08643	0.2
268.03802	0.2
275.07181	0.2
277.05283	0.2
277.08740	0.7
278.09317	0.1
279.03293	0.2
279.06964	0.1
279.10287	0.3
289.08624	0.3
291.06555	0.4
293.04663	0.3
293.08093	0.2
295.09875	0.8
296.03317	0.4
305.08221	1.2
306.08795	0.2
307.06226	0.4
307.09811	0.4
308.03412	0.2
308.06839	0.5
309.07791	0.3
321.04092	0.7
321.07562	0.2
323.09277	2.6
324.09595	0.4
333.07712	2.1
334.08157	0.4
335.05698	0.4
336.06302	0.7
349.07278	0.4
350.07907	0.4
351.08780	100.0
352.09122	10.9
495.12988	0.4
555.15088	1.2
555.28583	0.2
556.15485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01264	9.9
61.98717	5.0
63.37309	0.3
64.77233	0.3
65.00210	0.6
68.15191	0.3
71.01276	3.3
71.04932	0.4
72.99199	1.3
73.02847	1.3
75.00779	0.4
81.03378	0.4
83.04932	0.8
85.02858	1.9
87.00765	2.3
87.04395	0.4
89.02341	1.7
93.03346	0.5
95.01305	0.6
95.04923	0.4
96.95913	1.3
97.06491	0.7
99.00791	0.7
99.04431	0.7
101.02342	2.0
103.00275	0.8
103.05417	0.8
107.78831	0.3
108.02096	0.9
108.93621	0.3
109.02843	0.3
111.04433	0.9
113.02358	1.8
117.03358	1.8
118.12936	0.3
119.04931	1.3
120.01154	0.4
121.02873	0.9
122.03712	0.3
123.04496	0.6
125.02365	1.0
125.05972	0.4
132.02104	7.5
133.02902	0.7
134.16353	0.3
135.04408	0.6
137.06067	0.8
138.01915	0.7
141.03459	0.4
141.09207	0.4
145.02908	0.7
145.75560	0.3
146.99304	0.9
147.04533	0.4
151.00317	0.6
152.01079	0.6
155.05055	0.3
158.03676	0.4
159.02956	0.3
159.04439	0.8
161.02415	0.3
161.04529	1.1
161.06041	0.4
163.03986	0.5
165.05475	0.7
167.04997	0.4
171.04465	1.8
177.01881	0.4
182.03650	0.4
183.04497	1.0
187.04004	0.8
188.01151	0.6
195.04535	0.9
197.06021	0.3
198.03230	1.0
199.03938	0.9
200.01144	2.1
201.01892	1.8
211.04070	1.7
215.03491	4.6
221.06325	0.3
223.04083	0.4
225.02026	0.5
226.02715	1.4
227.03502	1.3
231.08176	0.6
232.08977	0.5
233.04399	2.0
233.09637	0.5
237.05630	1.2
239.03485	3.3
240.04294	1.3
241.05128	1.1
243.08183	1.6
244.08899	1.2
245.06110	1.0
245.09714	0.4
247.07564	0.8
249.05626	1.1
250.06335	0.4
254.02455	0.5
258.05231	2.0
259.07773	2.8
260.04898	0.4
260.08423	0.8
261.05533	0.8
261.09329	0.7
263.07248	0.7
263.69772	0.4
264.04303	0.8
265.05038	1.8
266.05475	0.4
268.03897	0.7
269.04599	0.9
270.03845	2.1
273.05573	4.1
274.06396	1.5
275.07208	1.7
276.07892	0.6
279.06735	0.4
286.06223	0.5
287.07242	4.3
288.07925	3.9
289.05112	1.3
289.08673	2.2
291.03137	0.4
291.06589	0.5
292.03989	1.7
293.04642	9.6
293.08350	0.5
294.05322	2.5
295.05838	0.4
303.06702	2.7
304.07208	0.9
305.04620	2.5
305.08188	0.9
306.05234	0.4
307.06284	1.7
308.07001	1.2
309.07785	0.9
311.05716	0.3
315.06549	0.4
317.04623	5.7
318.05292	1.3
321.07745	1.0
322.08609	1.1
331.06223	2.2
332.06979	13.5
333.07693	11.4
334.08136	1.5
335.05847	0.5
349.07315	1.6
350.04739	0.4
350.08011	21.1
351.08786	65.8
352.09128	6.4
467.26114	0.6
474.24557	0.4
474.74857	0.6
495.13089	1.1
511.29059	0.6
522.11700	1.2
523.12067	0.5
537.14117	3.6
555.15161	100.0
555.28912	4.2
555.79498	1.2
556.15515	17.2
556.28815	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	554.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21958	0.7
59.01265	17.5
61.98708	2.4
67.68192	0.9
71.51871	1.2
78.95787	5.2
168.04367	0.8
224.06760	0.8
242.07980	2.5
250.23019	1.0
255.23329	100.0
256.23666	9.1
307.96408	0.8
324.69418	0.8
480.31036	37.2
481.31540	6.0
481.86523	0.8
497.47021	0.9
554.27124	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	555.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30141	0.1
59.01265	1.4
59.76142	0.1
61.98704	0.4
67.01768	0.2
70.65794	0.1
71.01279	0.2
71.47921	0.3
79.05428	0.2
83.98451	0.1
93.03371	0.2
100.65959	0.1
107.04931	0.6
108.02085	0.1
109.02847	0.4
113.02345	0.2
121.02862	0.6
131.04956	0.3
133.02875	0.4
134.08098	0.2
135.00778	0.5
135.04413	0.4
139.03912	0.2
143.04982	0.2
144.11624	0.1
146.03638	0.2
147.04422	0.1
148.01605	0.3
149.02380	0.9
149.06018	0.3
153.90408	0.1
157.06490	0.2
161.02393	0.2
161.95221	0.1
163.00282	0.4
171.04521	0.3
173.02441	0.2
173.06010	0.6
175.03954	0.5
183.04497	0.2
187.03963	0.2
189.05550	0.4
189.68230	0.2
199.03983	0.5
201.01945	0.7
213.05577	0.6
214.02719	0.2
214.06216	0.2
215.03365	0.2
217.05103	0.3
220.09647	0.1
224.04770	0.4
225.05547	0.4
227.03490	1.8
228.03978	0.2
229.04944	0.2
236.08266	0.1
241.05087	2.4
242.05856	1.4
243.06612	1.2
247.07802	0.2
249.09302	0.2
251.10760	0.1
263.07214	0.3
265.08423	0.2
277.05219	0.2
277.08740	0.8
279.06570	0.1
279.10205	0.3
287.07086	0.2
291.06653	0.3
293.04654	0.4
293.08066	0.3
295.09909	0.9
296.03223	0.2
305.08313	1.1
306.08804	0.3
307.06580	0.3
307.09833	0.4
308.03348	0.3
308.06729	0.3
321.04129	0.8
321.07486	0.2
322.04666	0.2
322.08194	0.2
323.09290	3.0
324.09497	0.3
329.33282	0.2
333.07770	2.0
334.08502	0.3
335.05658	0.8
336.06537	0.7
348.32193	0.2
349.07339	0.7
350.07828	0.6
351.08795	100.0
352.09149	10.1
495.13162	1.5
496.13120	0.3
513.13892	0.2
520.84552	0.2
555.15100	2.5
555.28119	0.2
556.15485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.3
61.98722	1.7
68.43550	0.3
70.01548	0.9
78.95789	5.9
102.28795	0.3
152.99527	1.1
168.04265	1.3
203.29286	0.3
224.06937	1.0
242.08020	2.4
277.21838	0.6
279.23343	100.0
280.23685	9.2
281.11591	0.3
309.24350	0.3
454.66611	0.3
504.31070	39.5
505.31387	6.4
521.95178	0.3
554.27509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51917	0.1
59.01265	22.8
60.43667	0.2
70.75324	0.3
70.75636	0.3
78.95794	18.2
81.20209	0.2
96.96868	0.5
103.21574	0.2
110.13289	0.1
122.98415	0.4
152.99530	2.9
168.04269	3.0
224.06940	8.6
225.07310	0.3
238.14523	0.2
242.07999	1.9
250.65623	0.2
255.23323	100.0
256.23666	9.4
256.26443	0.3
331.96375	0.2
337.54544	0.2
367.88434	0.2
432.17157	0.2
472.34851	0.4
480.31052	68.1
481.31393	9.2
554.26880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45505	0.5
59.01268	3.0
59.25917	0.4
61.98721	3.4
67.17229	0.5
71.22417	0.8
71.46789	0.4
78.95802	7.0
96.95890	0.5
100.29057	0.5
129.70471	0.4
152.99481	0.8
168.04277	2.1
181.32724	0.5
224.06938	1.2
239.22340	0.5
242.08002	3.4
275.20438	0.5
277.21790	100.0
278.22134	9.3
287.82315	0.6
300.13531	0.5
472.05630	0.5
502.29538	43.9
503.29803	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09651	0.5
55.01768	3.4
57.03334	4.8
58.00468	2.2
59.01263	67.1
60.01598	1.5
61.98713	30.9
68.99683	0.5
69.03333	2.0
71.01270	69.7
71.04897	0.9
71.56848	1.0
72.01597	0.6
72.99190	5.6
73.02832	16.5
75.00754	1.5
78.95800	0.7
79.65939	0.6
81.03342	1.7
83.00809	1.0
83.01276	13.1
83.04899	0.6
85.02840	25.8
85.99987	0.5
86.03192	0.7
87.00765	4.9
89.02335	36.8
93.03336	1.5
95.01277	3.2
96.95919	0.8
97.02856	3.9
99.00777	6.8
99.04383	0.7
101.02345	46.8
102.02682	1.3
108.02071	2.2
109.02858	2.9
109.20284	0.5
111.00784	10.0
111.04392	0.9
113.02354	19.1
115.03939	2.5
119.03423	1.3
119.04928	1.5
121.02845	1.0
123.00768	0.5
123.04412	0.9
125.02359	9.9
128.26118	0.5
129.01843	1.7
130.02621	0.5
131.03432	17.5
133.06422	0.6
134.03546	0.7
135.04399	1.3
137.02365	2.6
139.03932	0.7
143.03439	3.5
149.04492	12.1
149.05887	0.6
151.00304	1.7
151.03941	0.8
152.01067	1.8
153.01926	2.6
159.02908	2.6
161.02423	1.1
161.04503	16.4
163.03909	1.1
163.06006	0.5
164.04846	0.9
167.03395	0.7
169.08583	1.0
173.04431	0.6
175.00301	0.6
175.02415	0.8
175.03926	0.6
177.01979	0.7
190.02684	1.0
191.05589	2.8
205.05028	1.4
213.41885	0.5
215.05481	0.8
223.06068	0.8
233.06650	5.6
269.04431	0.9
285.04065	0.7
286.04425	0.7
293.08841	6.7
343.11990	1.4
361.12985	23.7
362.13171	3.0
433.28745	0.6
493.17245	100.0
494.17609	15.3
553.21735	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	552.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22917	0.6
55.64894	0.6
59.01263	5.5
61.98703	4.1
71.01256	0.8
71.20419	1.4
75.16521	0.5
78.95793	29.1
88.94385	0.6
90.43248	0.6
91.93107	0.6
92.60515	0.5
105.84554	0.6
106.57407	0.6
118.41688	0.6
133.80434	0.5
142.14336	0.5
152.99524	3.2
168.04256	4.7
185.36908	0.6
192.89532	0.7
224.06937	12.1
229.91255	0.6
242.08035	3.3
253.21759	10.9
254.22092	1.4
272.36313	0.6
275.20078	0.9
277.21777	100.0
278.22116	9.1
379.80157	0.7
471.34955	0.9
478.29373	4.6
502.29514	91.1
503.29819	13.4
553.35614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42766	0.5
59.01268	2.3
71.01263	3.9
71.51482	0.7
72.99197	1.4
73.02864	0.9
76.02396	0.6
83.01279	1.7
83.42141	0.6
85.02845	3.9
87.00779	1.2
89.02333	1.0
95.01312	1.4
97.02827	0.7
99.00819	1.0
101.02345	1.6
108.02075	52.6
109.02894	11.4
113.02354	2.7
121.02862	1.2
122.02390	25.5
123.00774	1.1
123.02750	0.6
125.02336	1.4
128.03462	0.6
135.04443	1.3
152.01089	100.0
153.01784	4.8
163.03934	3.7
177.01941	1.3
179.03447	1.0
207.02881	0.6
216.43092	0.6
284.57220	0.6
291.35004	0.5
297.06320	0.7
303.10184	0.5
315.07092	1.2
317.79852	0.7
411.09396	1.0
429.10452	47.3
430.10876	4.1
462.83603	0.6
518.12354	0.7
552.13684	75.8
553.13971	10.5
553.21802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.1
59.01265	2.7
61.98716	100.0
62.98424	0.2
65.50124	0.1
69.31860	0.5
69.32293	0.7
71.01270	1.4
72.99193	0.2
73.02855	0.4
75.00789	0.1
83.01302	0.5
85.02847	0.7
87.00797	0.4
89.02338	0.5
93.03363	0.2
95.01307	0.2
95.95291	0.1
98.20581	0.3
99.00768	0.2
101.02354	1.3
107.01265	0.1
108.02087	0.5
109.02856	0.5
110.03165	0.1
113.02332	0.7
119.05032	0.1
121.02850	0.2
125.02381	0.5
128.03499	0.2
135.04399	0.1
136.61586	0.1
137.02411	0.3
147.29872	0.1
149.02325	0.2
151.00284	0.2
152.01103	0.3
153.01924	0.7
161.04491	0.2
171.25090	0.1
259.06293	0.2
269.04556	0.3
271.06213	0.2
283.06284	0.2
284.03497	0.4
285.04120	1.5
390.21729	0.5
390.71732	0.3
550.99426	0.1
552.11395	0.3
552.35553	0.2
553.30029	0.2
576.01813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75568	0.2
56.83689	0.2
57.03371	0.2
59.01264	15.0
60.01569	0.2
61.36280	0.2
61.98708	0.2
63.40434	0.2
64.69952	0.2
69.88797	1.0
71.01269	2.7
73.02837	1.0
74.81091	0.2
83.01277	0.5
85.02847	0.6
87.00769	0.5
89.02336	2.5
95.01327	0.2
97.02862	0.2
98.19913	0.4
101.02344	2.8
103.03914	0.2
113.02332	1.3
119.03407	0.6
133.04971	0.5
140.58846	0.2
161.04520	1.0
179.05556	0.2
217.98550	0.2
235.08244	3.0
253.09328	13.3
254.09660	0.7
255.23325	100.0
256.23672	9.5
273.71973	0.2
276.74835	0.2
381.29385	0.2
477.83997	0.2
491.32391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50800	0.2
59.01262	12.1
61.98715	2.7
71.01265	2.7
71.52255	0.3
73.02837	0.7
81.49509	0.2
83.01270	0.5
85.02872	0.6
87.00754	0.4
89.02332	2.3
89.32696	0.2
95.01268	0.3
101.02339	3.1
106.94825	0.2
113.02389	1.3
119.03421	0.8
133.04955	0.4
135.06444	0.2
143.03427	0.4
161.04477	1.1
179.05551	0.3
208.57816	0.2
235.08266	3.0
253.09325	13.1
254.09714	0.7
255.23320	100.0
256.23654	8.9
353.60565	0.2
491.32413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41388	12.6
59.01258	35.9
61.98719	100.0
65.85661	15.0
71.58396	13.6
210.23035	12.8
268.51041	16.4
327.52991	13.5
551.21753	23.4
551.30835	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	551.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61866	0.4
55.01776	0.7
57.03336	3.0
59.01262	3.1
71.01273	2.0
71.52647	0.4
71.53049	0.9
72.99198	2.4
73.02841	1.0
75.00764	23.0
83.01283	1.0
84.02059	3.8
85.02835	7.8
87.00773	9.2
89.02327	0.5
99.00792	0.7
99.04429	6.1
101.02366	2.1
103.03919	0.8
111.00797	1.1
113.02346	1.0
129.01865	7.7
133.01317	0.6
141.01846	0.8
147.02917	1.9
159.02942	1.9
161.04483	0.6
191.01978	3.6
191.05684	2.8
207.05038	1.0
209.06659	100.0
210.06999	3.8
229.89978	0.5
251.99745	0.5
338.37790	0.4
355.53296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27065	0.3
55.01744	0.3
57.03333	0.6
59.01266	3.2
61.98714	0.8
69.17445	3.7
71.01269	2.9
72.99201	0.5
73.02828	0.7
75.00757	1.1
83.01281	0.8
85.02842	1.1
87.00771	1.5
88.98705	0.5
89.02340	1.4
93.03358	0.5
95.01257	0.3
96.95930	0.3
97.02868	0.4
98.20573	0.7
99.00790	0.6
101.02363	1.5
108.02077	0.4
109.02863	0.7
113.02341	0.9
119.03403	0.4
119.04927	0.4
121.02883	3.1
123.00754	0.4
123.04456	0.5
125.02341	0.9
135.04425	0.9
136.05319	0.5
137.02396	1.6
137.05986	0.4
139.00301	1.0
141.01811	0.3
145.02887	1.8
146.03606	0.6
147.04443	1.9
149.04475	0.5
151.03944	0.5
152.01073	0.9
153.01863	1.1
153.05498	0.4
161.02350	0.6
161.04517	0.9
161.06024	0.5
162.03154	0.5
163.03952	4.2
164.04704	0.4
165.01877	0.9
165.05479	0.6
167.03452	0.5
168.04291	0.4
173.02402	0.4
173.05975	0.6
174.03206	2.2
175.03966	12.2
176.04753	2.6
177.01849	0.7
177.05479	1.4
178.02763	0.3
179.03496	1.1
179.07101	1.7
180.04253	7.8
181.04860	0.6
188.04739	2.5
189.05525	5.9
190.06323	18.2
191.03513	0.5
191.07104	12.9
191.08884	0.6
192.07484	0.6
193.03345	0.6
193.05026	7.6
194.05823	5.3
203.07150	1.6
205.08685	16.9
206.09012	1.1
207.06633	5.7
208.07393	13.3
209.07614	0.7
222.08951	1.5
223.09785	1.5
297.07736	0.4
301.03430	0.4
301.10953	0.6
302.11185	0.7
303.04996	0.6
303.11395	0.7
311.09912	0.3
312.10635	0.5
313.11014	0.3
344.12729	3.1
359.15070	100.0
360.15421	11.3
389.11838	0.4
389.16263	4.2
491.25259	0.5
514.66986	0.3
549.39685	0.4
551.15503	1.1
551.30957	1.5
552.13684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03222	0.2
55.01765	0.6
56.21909	0.2
57.03334	0.8
58.00458	0.3
59.01263	6.4
61.98713	2.5
68.99747	0.3
69.03345	0.9
69.27125	0.5
69.27544	1.3
71.01267	5.7
72.99193	2.0
73.02834	1.8
75.00763	0.6
81.03342	0.5
83.01276	0.8
85.02841	4.2
85.03358	0.2
87.00767	1.0
89.02333	4.3
93.03364	0.8
95.01290	1.4
96.95905	0.5
97.02843	0.6
99.00797	1.1
99.04414	0.3
101.02349	3.8
103.03896	0.4
107.01260	0.2
107.05011	0.2
108.02077	51.0
109.02901	8.2
110.03196	0.4
111.00798	0.4
111.04394	0.2
113.02355	3.1
116.92796	0.2
117.03358	0.2
117.05499	0.2
119.03404	1.4
119.04939	1.0
121.02871	25.3
122.03225	0.8
123.00808	1.0
123.04408	0.7
125.02406	0.9
129.10226	0.2
131.03426	0.6
133.02902	0.6
134.03595	0.5
134.06035	0.2
135.04453	1.4
136.01578	0.3
137.02353	0.7
137.13370	0.2
139.03944	0.2
143.03429	0.5
145.02885	0.3
147.04413	0.4
149.02438	0.5
149.04503	0.5
149.05994	0.2
150.03163	0.3
151.00314	0.6
151.03963	0.9
152.01088	100.0
153.01688	5.2
154.02213	0.2
154.08714	0.5
155.08264	0.3
155.98442	0.3
161.04518	0.7
163.02681	0.4
163.03951	4.1
165.01900	0.5
165.05510	0.3
166.02606	0.2
166.05087	0.2
167.03459	0.8
175.03935	0.7
177.01877	1.0
177.05486	0.2
179.03488	1.1
179.05568	0.9
179.07002	0.3
180.04259	0.2
180.06688	0.2
181.05032	0.4
187.03976	0.2
191.07043	0.3
193.05022	0.3
195.06592	0.5
205.05090	0.6
207.02948	0.9
207.06516	0.2
209.08183	0.8
219.02878	0.2
225.11472	0.2
283.02475	0.2
293.04568	0.2
293.15240	0.2
297.06500	1.0
298.04880	0.3
301.20184	0.3
309.04172	0.7
311.09296	0.3
315.07355	1.0
328.05811	0.3
341.13831	0.2
343.08459	1.1
359.15088	0.5
367.10327	0.2
371.15024	0.8
389.16388	0.4
429.10452	25.6
430.10797	2.7
468.92877	0.2
515.32880	0.4
551.14166	74.7
551.29529	3.0
552.14569	13.2
552.22119	0.5
552.29230	0.5
552.31580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1213
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
55.01775	0.4
56.55216	0.3
57.03337	1.5
59.01266	8.0
59.85566	0.3
61.98721	6.9
63.96511	0.3
65.00205	0.4
69.03329	0.5
71.01271	4.9
72.99198	1.2
73.02833	1.6
75.00759	0.7
80.51881	0.3
83.01275	1.3
85.02846	2.4
87.00768	1.4
88.98704	0.8
89.00228	0.3
89.02334	2.1
93.03359	19.9
94.03714	0.6
95.01302	0.7
96.95912	0.3
97.06461	0.3
99.00785	0.8
99.04418	0.3
101.02361	3.7
103.01845	0.4
108.02113	0.4
109.02895	1.8
113.02333	1.8
114.02657	0.3
117.03365	8.7
119.03431	0.6
119.04956	0.9
121.02867	0.8
122.02370	1.5
123.04428	0.4
125.02377	3.2
125.13052	0.4
126.02698	0.8
129.01891	0.4
131.01311	3.1
133.02916	0.4
135.04419	1.1
137.02377	32.8
138.02759	0.6
145.02930	0.5
149.02327	0.5
149.04453	0.3
151.00345	0.6
151.03952	0.5
152.01053	0.6
153.01874	1.5
161.02414	1.9
161.04504	1.0
162.02693	0.8
163.03986	1.4
164.03525	0.4
164.04782	0.4
165.01889	0.5
165.05557	0.5
167.03519	0.5
169.69034	0.4
173.02403	4.8
174.98813	0.6
175.00325	10.5
176.00763	0.4
176.98186	0.5
177.01837	0.5
190.02647	0.4
193.01372	0.5
194.99432	0.4
221.06036	0.5
227.13077	0.5
237.05591	0.9
249.05646	1.1
251.03471	0.4
259.19284	0.5
265.04965	0.8
269.04700	0.7
281.04337	0.4
283.06146	3.3
287.05737	0.4
288.06064	0.6
293.04633	100.0
294.04974	9.5
295.06021	0.4
301.20273	0.5
311.05698	4.5
312.06006	0.5
323.05597	0.5
335.05734	0.8
341.06720	0.8
413.08865	54.6
414.09158	6.2
431.09802	2.4
533.33521	0.6
550.33813	1.9
551.16589	1.2
551.27576	1.7
551.34039	2.3
551.77612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	0.3
59.01263	15.5
61.98707	1.1
69.81699	1.4
71.01264	2.6
72.99171	0.3
73.02834	0.8
78.95809	0.3
83.01268	0.5
85.02831	0.5
87.00775	0.4
89.02326	1.9
95.01299	0.4
101.02346	2.4
107.76617	0.2
113.02316	1.2
119.03416	0.6
121.02805	0.3
130.78737	0.2
133.04980	0.3
144.97328	0.2
161.04478	1.1
176.59874	0.2
179.05559	0.4
235.08276	2.4
253.09352	11.6
253.21756	100.0
254.09628	0.5
254.22102	8.6
489.30856	0.6
549.20892	0.4
550.84943	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57525	0.2
55.01766	0.4
59.01263	18.4
60.53040	0.3
61.98714	1.1
62.68779	0.3
71.01270	2.2
71.55157	0.4
73.02831	0.5
78.95793	0.3
80.24223	0.3
85.02865	0.8
89.02345	1.9
95.01311	0.3
96.95879	0.5
101.02340	2.4
113.02346	1.2
116.92820	0.3
119.03373	0.7
121.02807	0.3
133.05005	0.5
143.03523	0.3
152.99559	0.4
161.04485	1.0
179.05531	0.5
189.26126	0.3
235.08226	2.1
253.09352	12.0
253.21764	100.0
254.09673	0.7
254.22101	8.5
279.37115	0.3
337.79526	0.3
489.30380	0.6
549.13855	0.3
549.20709	1.4
549.28674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	5.1
57.46910	0.1
58.00487	0.1
59.01267	5.3
61.98720	0.1
66.80672	0.1
69.03326	0.1
71.01270	3.3
71.59744	0.1
72.01616	0.1
72.99199	0.4
73.02835	1.3
75.00758	0.3
75.87227	0.1
78.95789	0.8
79.05414	0.1
79.95628	1.8
81.03339	0.2
83.01260	0.5
84.02032	0.1
85.02846	0.9
87.00762	0.4
89.02342	1.6
93.03373	0.2
95.01295	0.2
95.04943	0.1
96.95914	100.0
97.06477	0.2
97.95843	0.2
98.02374	1.0
99.00790	0.2
99.04417	4.0
100.04776	0.1
101.02347	3.0
101.65132	0.1
108.02088	0.1
109.02853	0.5
113.02348	1.3
113.05980	0.1
114.02710	0.1
115.00269	0.4
116.92747	0.2
117.03407	0.3
119.03439	0.7
119.04928	0.2
123.04446	0.4
124.01640	0.1
125.02367	2.1
126.02692	0.1
131.01283	0.1
133.02863	0.5
134.03654	0.2
135.04457	0.3
137.02371	0.4
139.03999	0.1
139.07617	0.2
143.03471	0.5
143.04445	0.1
149.02429	0.1
149.04501	0.2
149.09648	1.0
151.00375	0.2
152.01096	0.3
153.01872	0.1
153.05669	0.1
153.07094	0.1
153.09163	0.2
159.03040	0.1
160.03955	0.2
161.02419	0.4
161.04526	0.9
163.00308	0.2
163.03999	0.2
165.01958	0.1
165.05490	0.2
167.10739	1.7
173.02419	0.2
175.00327	0.3
175.04053	0.1
176.00713	0.1
177.01920	0.1
177.05553	0.1
179.05585	0.5
191.03416	0.1
195.06720	0.2
205.05045	0.1
221.06560	0.1
225.07689	0.5
225.14990	0.3
226.08282	0.1
243.16042	0.6
253.05185	0.2
269.04590	0.2
270.05325	0.1
271.06009	0.1
281.04620	0.1
282.05319	0.2
283.06174	0.1
284.03348	0.3
285.04086	0.8
286.04547	0.1
293.04605	0.9
294.04922	0.8
295.05191	1.1
297.04181	0.9
298.04871	4.4
299.05347	0.7
309.03995	0.7
310.04605	0.1
311.05731	0.2
313.10980	0.1
325.03271	0.2
325.07315	0.1
326.04221	0.2
327.05164	0.8
328.05414	0.1
330.03876	0.3
333.22885	0.1
339.05148	0.3
341.06738	0.1
343.07916	0.1
345.13568	0.1
353.03085	0.2
357.06290	0.5
358.06519	0.1
369.06308	0.2
383.07733	0.6
384.08109	0.7
385.08395	1.7
386.09064	0.1
387.15170	0.2
387.20352	0.7
399.07220	0.8
400.07388	0.1
405.21344	2.3
406.21927	0.4
416.07721	0.2
417.08148	0.2
433.24899	0.1
438.56668	0.1
447.22406	1.2
459.09247	1.4
459.14444	0.1
460.10101	0.2
487.25009	0.2
490.34094	0.7
505.26736	0.1
531.11884	0.1
549.13153	6.0
549.25769	3.9
550.12512	1.0
550.25458	0.7
575.96112	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	549.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47293	0.7
55.01775	4.0
56.63342	0.6
57.03334	9.2
58.00492	3.0
59.01265	71.8
60.01621	0.8
61.98713	1.6
69.03348	1.4
70.89027	0.6
71.01270	100.0
71.16881	1.0
71.17196	0.7
71.77937	0.6
72.01613	1.2
72.99192	6.2
73.02836	20.1
73.15342	0.5
75.00760	1.8
75.31130	0.6
81.03350	1.0
83.01279	14.1
85.02843	33.3
86.00022	0.7
86.03185	0.7
87.00768	10.3
89.02338	62.7
89.97345	0.6
90.02664	1.2
93.03372	0.8
94.81430	0.6
95.01282	7.5
96.95913	2.5
97.02863	3.0
99.00784	11.2
99.04430	8.1
101.02348	67.6
102.02711	0.8
103.03957	0.8
106.26361	0.5
108.02076	1.0
109.02872	0.9
111.00763	1.8
112.01634	0.7
113.02358	44.0
114.02705	1.3
115.00303	0.8
115.03931	0.9
119.03418	24.6
120.03789	0.6
123.04417	1.1
125.02367	6.5
126.10046	0.6
129.01880	1.1
131.03424	11.0
137.02348	0.8
143.03445	11.6
149.04472	5.2
149.09625	1.4
150.19749	0.6
151.00386	0.8
153.01938	0.7
159.02939	4.9
161.04509	44.0
162.04842	0.9
164.07159	0.7
167.10718	3.7
173.09686	1.3
175.73618	0.6
177.09259	0.8
179.05579	40.0
180.05965	1.3
189.12843	9.0
191.05592	0.8
205.03699	0.7
207.13925	4.1
221.06677	34.4
222.07007	1.8
225.15016	1.2
233.06664	0.8
263.07794	15.6
264.08023	0.8
271.06073	0.8
271.08401	4.1
357.15625	1.4
369.05991	0.8
387.20349	39.0
388.20557	4.8
399.07489	0.9
405.14191	0.7
405.21442	1.3
429.08502	1.1
431.19330	1.7
433.11938	1.3
447.22336	0.8
459.09616	1.0
480.22348	0.6
489.19937	21.4
490.20386	3.5
505.27408	0.7
549.12372	2.0
549.25653	72.5
550.26007	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.2
57.03338	10.9
58.03659	0.2
59.01266	8.8
61.98726	0.2
67.31779	0.1
69.03352	0.2
69.25170	1.7
71.01270	4.2
71.04916	0.2
72.99187	0.4
73.02837	2.0
73.81115	0.1
75.00739	0.3
78.95801	0.7
79.05367	0.2
79.95626	1.9
81.03355	0.4
82.85962	0.2
83.01277	0.8
83.04915	0.2
85.02832	1.2
87.00772	0.3
89.02339	2.5
95.01282	0.4
96.95914	100.0
97.02845	0.2
97.03985	0.2
97.06483	0.3
97.95852	0.3
98.02392	1.1
99.00779	0.5
99.04417	9.0
100.04765	0.5
101.02350	6.1
102.02689	0.3
109.25272	0.2
109.99336	0.2
112.05167	0.2
113.02353	2.3
113.06002	0.2
115.00238	0.2
115.03932	0.2
116.92818	0.2
119.03417	1.0
119.04876	0.2
123.04444	1.1
125.02357	4.1
133.02954	0.2
135.04462	0.2
137.09648	0.2
142.12901	0.1
143.03448	0.9
143.04428	0.2
149.04486	0.5
149.09674	2.1
153.09174	0.3
159.02835	0.2
160.04048	0.2
161.02348	0.3
161.04514	1.9
163.03928	0.2
167.10739	4.3
168.11121	0.2
179.05576	0.7
221.06703	0.3
225.14911	0.8
243.16040	1.1
255.03012	0.4
255.06804	0.2
298.04910	0.2
311.10416	0.2
313.03400	0.2
369.06207	0.2
387.15176	0.3
387.20258	1.7
388.20435	0.2
395.81836	0.2
405.21350	6.5
406.21985	0.8
416.07831	0.2
447.16748	0.3
447.22433	3.2
448.22739	0.4
459.09158	0.6
487.25540	0.6
490.33963	0.4
505.26843	0.2
549.12415	1.2
549.25568	9.4
550.26062	1.4
576.84113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35601	0.4
50.65086	0.4
51.18523	0.4
55.01764	0.9
57.03331	1.4
59.01256	4.1
64.03841	0.5
69.03342	1.9
69.56375	2.8
71.00922	0.3
71.01269	10.3
72.99196	20.8
73.02834	18.2
75.00768	1.7
79.76868	0.6
80.68691	0.4
83.01266	3.7
85.02841	15.4
87.00774	0.5
89.02331	2.0
95.01282	4.4
99.00790	3.2
100.01536	0.5
101.02345	8.0
103.03903	1.3
113.02357	29.3
114.02674	0.7
115.00245	0.7
115.03881	0.6
116.67298	0.5
125.02319	0.5
127.03945	0.5
129.01866	8.0
131.03424	21.7
132.03775	0.6
133.01340	1.8
157.01352	6.8
159.02864	0.6
165.31837	0.5
171.02954	1.1
175.02434	24.0
176.02707	0.9
189.04028	8.6
207.05089	100.0
208.05469	4.4
440.73627	0.5
462.88116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.7
59.01263	21.9
61.98713	18.0
62.98458	0.5
65.00188	1.1
65.03847	1.0
67.01765	0.8
68.99695	1.1
69.03340	0.9
71.01266	11.0
72.99194	2.0
73.02829	3.8
75.00776	0.9
75.90331	0.5
81.03365	0.7
82.95303	1.9
83.01275	7.9
85.02850	4.9
87.00761	1.7
88.98675	0.6
89.02333	6.2
91.05417	2.9
93.03367	2.4
95.01257	1.2
95.04894	1.2
97.02794	0.8
99.00795	2.3
99.04430	0.7
101.02338	6.7
107.01292	2.5
107.04906	0.9
108.02077	3.3
109.02863	10.0
111.00763	1.3
113.02341	5.0
113.87430	0.5
117.07021	1.1
119.03416	2.5
119.04937	6.3
120.05704	0.6
121.02872	10.2
121.06512	2.9
122.03667	1.3
123.00844	0.9
123.04449	5.4
125.02343	6.5
125.05967	0.6
131.03429	1.1
133.02878	89.7
134.02214	0.7
134.03682	26.4
135.04454	27.6
136.01588	16.4
136.04822	0.9
137.02386	4.1
137.05974	1.0
138.03146	1.3
141.01872	1.3
145.02943	0.7
146.03801	0.6
147.04475	3.2
149.02374	2.5
149.06038	1.9
150.03127	1.6
151.00302	10.2
151.03952	5.1
152.01099	3.2
152.04738	0.8
152.48180	0.6
153.01886	1.2
153.05435	0.9
154.46706	0.6
159.04431	1.4
161.02391	3.1
161.04526	1.0
161.06009	1.5
162.03036	0.8
163.03970	1.6
163.07628	0.8
165.01901	1.0
165.05492	1.3
166.02641	0.8
167.03548	0.7
167.07133	0.9
173.06142	0.8
175.04002	1.4
177.01872	1.3
177.05640	1.0
179.05653	1.0
179.07117	3.6
181.05009	0.6
182.02220	0.6
183.10277	0.8
189.05548	1.1
198.06830	2.0
203.07121	0.9
204.07860	0.6
209.08179	1.0
209.11824	2.0
213.09158	1.7
223.07794	0.9
224.08420	1.2
225.05576	1.1
250.06389	2.5
251.07140	2.9
253.05087	2.1
265.08630	1.3
267.06638	2.4
268.07407	3.7
269.04376	0.9
269.07568	0.6
271.06171	10.7
271.09610	1.0
272.06564	1.3
283.09818	100.0
284.10123	9.1
285.11362	20.5
286.11838	2.0
287.05768	1.2
295.05743	0.8
301.10876	15.1
301.14355	0.8
302.11230	1.6
309.11441	0.7
325.10907	0.9
327.12219	0.6
327.21799	1.2
343.11942	1.9
353.19839	1.8
354.11099	1.4
357.09866	1.3
367.11877	1.7
369.09738	1.6
369.13852	3.4
372.12137	2.3
380.13220	0.8
385.13083	1.6
387.10306	1.4
387.14642	16.0
387.27756	1.1
388.14850	1.8
402.14291	0.9
409.12936	0.8
427.14185	2.9
429.10471	1.8
447.11551	0.9
459.13254	1.5
487.16156	2.6
505.26740	1.1
507.28091	0.7
549.16052	17.7
549.32672	5.9
550.16138	3.3
550.33112	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	549.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
59.01256	2.5
59.11013	0.4
60.50846	0.4
61.98707	1.6
62.92866	0.4
63.02290	2.0
65.00208	11.4
69.24980	3.0
70.02732	0.4
71.01263	1.8
83.01272	6.4
85.02848	0.7
87.40148	0.4
89.02340	1.0
93.03360	5.8
101.02355	1.2
107.01294	21.2
108.02106	0.7
113.02391	0.6
117.03330	0.7
119.04940	41.5
120.05287	1.7
121.02863	0.8
123.24924	0.4
125.02363	5.3
133.02863	0.5
136.01578	1.1
137.02426	1.0
139.68370	0.4
143.04919	0.6
145.02882	4.1
149.02339	0.5
150.25629	0.4
151.00305	91.9
152.00629	4.0
161.02376	1.9
161.04463	0.5
161.05995	1.0
164.01030	2.0
164.03482	0.5
165.01869	3.2
169.01352	1.6
175.00345	1.2
177.01892	6.1
179.03302	0.5
185.06073	2.3
187.03928	2.5
196.00102	1.0
217.01331	0.7
227.07065	2.5
229.05029	0.8
249.57903	0.4
269.04550	1.4
270.05167	1.3
271.06165	55.5
272.06491	4.7
303.05130	0.5
324.13318	0.4
339.07532	0.8
343.07999	0.5
371.07788	0.5
429.10419	19.8
430.10956	1.5
469.22766	0.5
503.01917	0.5
549.16241	100.0
549.33417	2.9
550.16583	14.6
550.23822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.6
61.98725	0.2
69.34378	0.7
69.34811	0.7
71.01263	0.5
85.23129	0.2
85.47726	0.2
87.00764	0.2
89.02336	0.5
98.20623	0.3
101.02343	0.4
115.00285	0.1
119.01315	0.3
119.04900	0.1
127.55344	0.1
149.04420	0.2
151.03841	0.2
158.19005	0.2
161.04376	0.2
163.04015	0.2
177.05540	0.3
181.76312	0.2
204.04082	0.2
215.03362	0.2
221.04550	0.2
237.05591	0.2
248.82469	0.1
280.07330	0.2
283.06122	0.7
284.21240	0.2
295.06195	2.7
296.06763	0.7
297.07785	0.9
307.06125	1.6
308.06970	0.5
309.07724	1.4
310.08136	0.2
311.05771	0.3
312.06494	0.2
313.07248	3.1
314.07556	0.3
321.07874	0.9
323.05740	0.7
324.06409	0.6
325.07230	9.5
326.07779	1.3
327.08862	1.2
328.09222	0.1
335.05591	0.3
336.06119	0.2
337.07227	4.1
337.11078	0.3
338.07925	1.3
339.08762	2.4
340.09167	0.2
341.06757	1.7
342.07358	0.5
343.08286	15.0
344.08597	1.7
349.07239	1.9
350.07724	0.4
351.08722	0.3
353.06732	2.5
354.07397	0.9
355.08276	4.5
356.09006	2.5
357.09845	5.3
358.10211	0.5
367.03641	0.3
367.08289	5.5
368.09021	3.0
369.09698	1.4
370.10480	0.2
371.07788	19.5
372.08286	2.7
373.09604	0.8
383.07605	0.3
385.09363	16.6
386.10104	14.6
386.15286	0.4
387.10693	3.3
401.08810	0.4
420.81998	0.2
429.21341	0.4
517.14215	0.2
519.15045	0.3
531.15314	1.7
532.15717	0.4
549.16266	100.0
550.16608	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	549.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80263	0.8
57.03336	64.3
58.03661	1.1
59.01263	21.5
61.40288	0.7
61.98711	2.3
63.12940	0.8
69.03348	2.7
69.34203	7.4
71.01271	10.6
72.99207	1.5
73.02822	3.3
75.00765	5.9
81.03355	1.3
83.01284	2.4
85.02853	2.0
86.89214	0.7
89.02332	5.3
92.04482	0.8
95.01305	1.8
96.95944	3.9
96.96613	0.6
97.02853	13.6
98.19814	1.2
99.00780	1.6
99.04417	44.4
101.02345	19.8
109.02856	1.1
113.02358	3.5
116.15006	0.9
116.92746	1.3
119.03408	1.8
123.04448	0.9
125.02364	100.0
126.02695	2.5
135.02899	14.4
143.03473	4.5
161.04510	5.4
166.05057	0.8
179.03459	1.7
203.05585	4.6
243.08771	2.6
274.57904	0.9
329.08853	6.1
369.11880	2.7
402.01996	0.9
431.11963	14.7
549.14691	22.0
549.22968	2.3
550.15240	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	549.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76871	0.5
57.03337	4.5
59.01264	9.7
61.98719	1.1
68.99692	0.6
69.03363	0.7
69.18677	4.9
71.01270	6.9
71.04898	0.6
72.99194	1.2
73.02860	2.4
75.00769	0.9
79.01779	1.0
83.01277	1.5
83.04948	0.5
85.02836	2.1
87.00771	1.3
87.61092	0.4
89.02325	3.7
93.03350	1.4
95.01289	1.0
96.95885	0.7
97.02900	0.5
99.00767	0.8
99.04410	1.8
101.02339	4.6
103.03930	0.7
107.01275	0.7
107.04922	0.6
108.02046	0.8
109.02838	1.9
111.00790	0.6
111.04389	0.4
113.02359	2.5
117.03368	3.8
119.03401	1.7
119.04924	2.2
121.02840	1.9
123.00783	1.4
123.04388	1.4
123.08078	0.7
124.01585	0.7
125.02371	2.9
133.02876	2.7
134.03581	0.5
135.04413	1.8
137.02362	2.6
139.03922	1.0
144.12817	0.4
147.04475	0.8
149.02415	2.4
149.06013	0.5
151.00319	3.1
151.01314	0.7
151.03929	2.5
153.01906	0.9
156.00226	0.4
159.04419	0.8
161.02351	2.8
161.04427	0.9
162.03105	0.4
163.00282	1.7
163.03923	2.0
163.06047	1.9
164.01109	0.8
164.04596	0.4
164.63791	0.4
165.01906	3.0
165.05534	0.6
167.03412	2.0
171.04373	0.5
173.02448	0.6
175.03960	2.1
177.01912	4.7
177.04047	1.0
177.05464	0.7
178.02477	1.1
178.99857	0.8
179.03419	2.6
179.05568	0.8
180.00626	0.7
187.03889	1.1
189.01918	1.1
189.05453	0.8
191.03453	1.9
193.01389	0.9
193.05043	0.8
195.03000	1.1
197.06097	0.8
201.01830	0.6
203.03482	1.6
205.01367	1.4
205.05023	1.6
206.02148	1.0
207.02989	4.8
207.13792	1.0
209.06091	0.9
213.05527	0.9
215.03488	0.7
219.02995	3.5
220.03728	1.5
221.04469	1.1
225.05554	0.9
225.07663	0.6
231.03062	0.9
233.04568	1.2
235.02513	1.6
236.03145	0.5
241.05058	1.9
242.05614	0.5
243.06638	0.7
247.02429	1.5
249.03973	3.1
253.05084	2.4
255.06642	1.4
261.04117	0.9
265.03583	0.8
267.06702	0.8
269.04541	3.1
270.05280	1.1
272.99094	0.6
279.05093	1.9
281.04614	5.8
282.05060	1.0
283.02902	0.6
283.06116	2.8
284.03183	1.6
284.06314	0.7
285.04037	4.4
293.04648	1.2
294.04968	1.0
295.05841	1.8
296.06454	0.6
297.03629	3.9
297.06638	1.6
298.04865	17.1
299.05588	5.2
302.73895	0.5
310.04984	0.6
311.05640	4.5
312.06268	2.9
313.03647	13.7
313.07098	2.5
314.03915	1.4
314.07370	0.6
323.05563	1.7
324.06277	1.1
325.03400	1.1
325.06931	0.9
326.04312	5.4
327.05093	11.7
328.05618	1.6
330.03769	3.7
338.04099	0.5
339.05139	7.2
340.05521	0.9
341.06555	2.8
344.05426	0.5
351.05234	1.5
353.06699	3.2
356.05194	0.8
357.06250	2.6
359.09683	0.7
367.04233	0.6
369.06186	16.5
370.06485	1.4
371.07681	1.7
381.06149	4.0
383.07532	2.2
384.08011	0.8
385.08347	2.3
387.09256	0.7
387.20233	0.5
395.07730	0.6
399.07309	15.4
400.07797	1.1
405.21286	5.3
406.21881	0.5
411.07224	2.0
413.08212	1.0
416.07547	13.0
417.08264	4.6
423.06863	0.6
429.08273	6.3
430.08441	1.2
441.08386	3.3
443.09814	0.6
447.22336	1.6
459.09421	43.3
460.09830	6.6
471.09555	1.5
489.10385	7.2
490.10706	0.8
501.10815	0.5
505.26047	0.5
513.10736	0.6
531.11389	4.6
532.11646	0.8
533.13000	0.8
549.12573	100.0
549.25836	6.5
550.12872	17.2
550.26428	0.9
566.07343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39173	0.8
53.88706	0.8
57.03344	8.8
59.00960	1.2
59.01262	21.4
61.98711	3.5
68.63530	0.9
69.47169	0.7
69.47459	7.2
71.01275	16.1
72.99177	2.2
73.02830	4.7
75.00755	2.6
79.01770	2.2
81.03326	1.4
83.01271	4.0
85.02842	5.1
87.00760	3.4
89.02340	11.0
93.03350	2.5
95.01284	1.8
96.95909	2.9
97.02845	1.0
98.94068	0.9
99.00777	3.8
99.04424	9.5
101.02349	14.9
107.01309	1.8
108.02046	1.4
109.02856	5.6
111.00821	1.1
113.02367	5.1
115.03951	1.2
117.03386	4.7
119.03394	3.2
119.04922	4.1
121.02865	2.1
123.04445	1.6
125.02353	6.8
125.09641	1.5
127.00323	1.7
131.03426	1.5
133.02885	3.9
135.04446	3.6
137.02390	3.2
143.03398	2.2
147.04471	2.0
149.02443	2.3
151.00334	4.2
151.03955	3.9
159.04462	1.0
160.03979	1.7
161.02409	3.1
161.04472	3.1
163.00337	1.7
163.03973	3.3
163.06076	2.7
164.01074	2.9
165.01924	4.9
165.05486	1.2
166.02681	1.1
167.03474	2.9
167.10701	1.3
174.03131	1.3
175.03960	3.5
176.01039	1.1
177.01917	5.8
177.05511	1.2
178.02649	1.7
178.99811	1.0
179.03444	3.9
179.05562	3.2
180.00562	1.6
181.04997	1.1
189.01894	2.1
189.05614	1.5
191.03453	3.1
192.65956	0.9
193.01430	2.2
193.05159	1.2
195.02943	1.9
197.06085	1.0
201.01865	1.2
203.03497	1.7
203.07063	0.9
205.01465	2.2
205.05095	1.4
207.03012	5.2
213.05476	2.2
214.06279	0.9
215.03545	1.0
217.05020	1.5
219.03003	3.1
220.03775	1.2
221.04630	1.6
225.05504	1.6
233.04449	1.5
235.02521	1.3
241.05016	2.5
247.02637	1.2
248.09302	1.2
249.04053	4.7
253.05051	3.8
255.06918	1.1
261.03995	1.8
267.06644	1.1
269.04663	4.8
270.05405	1.2
279.05179	1.6
281.04654	5.5
282.05380	2.7
283.06082	3.4
284.03229	2.7
284.06732	1.0
285.04138	8.7
295.06174	1.7
297.03592	6.0
297.06927	1.4
298.04871	25.6
298.08081	1.9
299.05573	6.2
309.03928	1.8
311.05621	5.4
312.06219	4.8
313.03604	17.7
313.07150	3.7
314.04034	2.5
323.05579	2.6
325.03586	2.1
325.07144	1.7
326.04468	8.1
327.05072	15.1
327.08585	2.0
328.05551	2.3
330.03842	2.8
339.05023	8.2
341.06729	3.0
344.05313	1.3
351.05237	2.0
353.06705	3.7
356.05380	1.3
357.06168	3.1
369.06186	23.9
369.13324	1.9
370.06412	2.3
371.07837	3.0
381.06195	4.1
382.07132	1.1
383.07394	1.2
387.14862	1.8
387.20261	2.6
395.07523	1.6
399.07291	24.3
400.07797	2.2
405.21365	3.7
411.07321	2.4
413.08688	1.3
416.07541	17.6
417.08182	4.8
423.07455	1.5
429.07977	6.0
441.08423	4.5
447.22412	1.9
459.09412	46.2
460.09622	7.4
471.09369	1.5
489.10526	8.1
489.17480	1.1
489.19559	1.0
531.11676	6.0
549.12653	100.0
549.25348	8.9
550.12939	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	549.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51134	0.1
53.72873	0.1
56.49737	0.1
57.03339	5.8
58.00465	0.2
58.03668	0.3
59.01264	6.0
60.01601	0.3
61.98709	0.1
67.98415	0.1
69.03335	0.2
71.01268	3.7
71.01669	0.2
71.51617	0.1
71.52007	0.2
72.99196	0.4
73.02837	1.5
75.00755	0.2
75.74960	0.1
78.95797	1.1
79.95631	2.0
81.03336	0.3
83.01271	0.7
83.02374	0.1
85.02840	0.9
87.00758	0.5
89.02341	2.1
89.02841	0.2
90.02686	0.1
93.03367	0.1
95.01290	0.2
95.04946	0.1
95.97482	0.2
96.66908	0.1
96.95914	100.0
97.06461	0.2
98.02374	0.3
99.00786	0.3
99.04416	4.8
100.04758	0.3
101.02344	3.4
102.02634	0.2
103.03912	0.1
108.02071	0.2
109.02869	0.5
109.06538	0.1
113.02357	1.3
113.06019	0.1
114.01933	0.1
115.00292	0.3
116.92747	0.2
117.03397	0.4
119.03436	0.9
119.04964	0.2
121.02865	0.2
123.04440	0.7
124.01563	0.2
125.02364	2.8
126.02673	0.2
131.01334	0.1
133.02859	0.6
134.03659	0.3
134.07385	0.1
135.04475	0.3
137.02376	0.4
137.09666	0.1
139.00169	0.1
139.07578	0.1
143.03485	0.5
145.02895	0.2
149.02412	0.2
149.04541	0.2
149.09653	1.5
151.00346	0.1
151.03897	0.1
152.01070	0.3
153.01883	0.2
160.04042	0.2
161.02379	0.4
161.04468	0.9
163.00345	0.4
163.03944	0.3
165.05519	0.3
167.10739	2.4
167.12106	0.2
168.11082	0.1
173.02400	0.2
175.00372	0.5
175.04004	0.1
176.00757	0.1
179.05623	0.6
190.02641	0.1
195.06627	0.2
195.13953	0.1
201.01851	0.2
203.05574	0.1
205.05013	0.1
207.03000	0.1
207.13913	0.1
209.06541	0.1
225.05714	0.2
225.07739	0.5
225.15018	0.5
241.05025	0.2
243.16080	0.4
255.06721	0.1
269.04553	0.3
269.09323	0.1
270.05130	0.2
271.05881	0.1
281.04691	0.1
282.05353	0.2
284.03363	0.5
285.04102	1.1
286.04587	0.1
293.04617	1.2
294.04984	1.6
295.05170	1.6
297.04102	1.7
298.04883	6.5
299.05420	0.7
309.04166	1.1
310.04541	0.3
311.05682	0.4
312.06125	0.2
313.06720	0.1
323.05435	0.1
325.03622	0.3
325.06976	0.2
326.04263	0.3
327.05099	1.4
328.05551	0.1
330.03879	0.6
338.04248	0.2
339.04968	0.5
342.07184	0.1
353.03156	0.3
353.07086	0.1
357.06186	0.9
369.06137	0.2
381.06281	0.2
383.07843	0.8
384.08130	1.1
385.08377	2.5
387.14713	0.4
387.20383	0.9
399.07449	1.1
404.20340	0.1
405.21329	3.0
406.21750	0.2
416.07681	0.2
417.08386	0.3
433.24493	0.3
447.22314	1.4
459.09326	2.1
460.10031	0.3
487.25769	0.3
490.34143	0.1
531.11908	0.2
548.16302	0.1
548.24725	0.3
549.13147	9.8
549.25732	6.0
550.12903	1.4
550.25806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74993	0.1
53.94465	0.1
57.01901	0.1
59.01256	0.9
59.07471	0.1
61.98714	100.0
62.98423	0.2
68.21639	0.1
71.01274	0.3
71.59989	0.1
73.02837	0.2
77.58621	0.1
78.86658	0.1
78.95800	0.4
93.03436	0.1
96.96863	0.2
109.02873	0.3
119.98203	0.1
125.02379	0.1
135.04466	0.2
136.04817	0.2
142.33591	0.1
152.01059	0.2
155.13907	0.1
195.58771	0.1
319.28098	0.1
323.13092	0.5
324.13208	1.0
325.13525	0.8
326.13925	0.8
548.27570	0.3
574.18701	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	549.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
61.98717	0.4
65.39875	0.1
72.19812	0.2
77.03842	1.4
93.03386	0.3
104.62685	0.1
115.88467	0.2
121.02873	100.0
122.03210	3.4
137.02449	0.2
147.04507	0.4
165.01886	46.5
166.02219	1.7
174.49063	0.1
180.05728	0.7
181.06560	2.3
182.06902	0.2
197.06038	2.5
207.04437	0.9
207.08107	0.2
223.04053	0.4
225.05556	1.7
226.05966	0.2
257.09717	0.9
261.05365	0.1
301.08878	0.3
313.07205	1.2
357.06128	0.6
373.10883	0.3
383.07602	0.3
417.09763	1.5
505.11475	1.3
549.10486	29.3
550.10858	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	547.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.9
57.03335	2.5
58.00484	1.0
59.01263	100.0
60.01598	1.1
61.98707	2.3
65.00209	0.4
69.03356	0.8
69.40591	0.2
69.70593	1.4
71.01270	13.9
71.04919	0.9
72.99201	0.7
73.02832	4.4
73.89253	0.2
75.00759	0.4
83.01280	3.0
85.02839	7.4
85.06488	1.1
87.00780	1.7
89.02339	2.5
95.01298	1.5
97.02859	0.8
98.19902	0.3
99.00777	2.2
101.02343	9.2
105.07024	0.3
107.04923	0.3
111.00741	0.5
112.01586	0.3
112.72501	0.2
113.02353	8.9
114.02711	0.4
114.43423	0.2
119.03393	0.6
119.04942	0.4
121.02869	9.2
122.03256	0.3
124.01583	0.4
125.02392	1.6
137.02426	0.3
137.06090	0.2
143.03452	1.6
143.10692	3.0
149.06068	0.4
159.02959	0.8
161.04503	7.1
161.05843	0.4
163.14810	0.4
173.06017	0.3
173.98236	0.3
205.03516	0.4
211.17007	0.8
217.05022	2.7
237.22302	0.6
241.18312	0.2
247.42014	0.3
269.04544	0.3
283.06012	0.5
283.26434	0.4
295.26318	0.3
313.27658	1.4
325.27505	1.7
325.76532	0.3
327.29114	0.3
340.26416	0.3
341.27011	0.3
343.15338	0.3
343.28561	7.7
344.28967	0.5
349.27441	0.3
367.28604	0.5
385.16730	0.5
385.29605	0.6
389.65652	0.3
409.29718	0.4
437.29086	0.2
439.30814	0.6
451.30432	0.4
457.31732	0.3
469.31775	0.6
487.32858	33.7
488.33246	5.0
505.33990	8.4
506.34247	1.7
547.34424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75343	0.1
57.03334	0.6
59.01265	1.9
61.98716	100.0
62.98404	0.2
69.50551	0.7
69.50960	0.2
71.01270	1.3
72.99208	0.2
73.02831	0.5
75.00751	0.2
83.01281	0.3
83.52623	0.1
85.02847	0.4
87.00776	0.3
89.02333	0.9
93.03363	0.2
95.01234	0.1
96.95941	0.3
98.02417	0.1
99.00772	0.2
99.04420	0.8
101.02337	1.0
101.53593	0.1
108.02083	1.9
109.02319	0.2
109.02905	0.5
111.00783	0.1
113.02363	0.5
117.05481	0.5
118.05819	0.1
119.03419	0.5
123.04383	0.1
125.02375	0.4
137.02350	0.4
143.03471	0.2
149.04523	0.2
149.09619	0.2
151.03896	0.1
152.01080	3.5
153.01393	1.4
156.10548	0.1
161.04483	0.3
163.03931	0.2
167.10748	0.2
175.02449	0.1
177.01881	3.2
178.02217	2.1
179.02357	1.4
179.05569	0.4
180.02650	0.6
187.00247	0.1
192.02727	0.2
221.06715	0.2
250.96826	0.1
266.46057	0.1
350.76733	0.1
379.46262	0.1
405.21310	0.2
429.10309	0.5
430.10678	0.5
447.10931	0.1
448.11752	0.3
486.12753	0.1
488.13870	0.5
489.13333	0.2
490.12851	0.3
530.15906	0.2
547.16547	0.7
548.17108	5.0
548.24286	0.2
549.17346	0.6
549.25519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.2
57.03340	1.8
58.00481	0.4
59.01264	100.0
60.01597	1.1
61.98719	6.8
65.00228	0.3
68.99720	0.2
69.03342	0.7
69.30546	1.9
71.01270	15.1
71.04897	0.3
72.01617	0.4
72.99189	1.1
73.02838	4.3
73.21246	0.2
75.00762	0.4
81.03339	0.3
82.75446	0.2
83.01274	5.7
84.02057	0.2
85.02843	8.9
85.06514	0.2
85.99986	0.4
87.00774	1.3
89.02327	3.1
93.07000	1.5
95.01274	1.6
97.02859	0.9
99.00779	2.3
99.08046	0.3
101.02344	12.4
102.02699	0.4
107.04927	0.2
109.02859	2.6
111.00785	1.6
111.08080	0.6
112.01592	0.4
113.02356	7.4
114.02705	0.2
115.03936	0.2
119.03429	1.0
121.02861	0.4
123.04455	0.3
123.08012	0.2
124.01574	0.7
125.02360	2.1
129.01892	0.3
131.03441	0.6
134.79651	0.3
135.04466	0.4
141.01860	0.2
143.03433	1.8
143.10722	0.9
149.02347	0.3
149.04526	0.4
149.06055	0.4
152.01068	0.2
159.02942	1.4
161.04504	5.7
161.05846	0.4
163.03955	0.3
163.14868	0.2
172.05962	0.2
177.01894	0.9
179.05611	0.2
205.03461	0.2
211.17178	0.4
213.18626	2.1
217.05078	1.0
223.09836	0.3
223.17085	0.3
232.69989	0.2
247.03802	0.3
247.06158	4.6
248.06503	0.7
258.13608	0.2
269.04605	0.3
275.05643	1.5
276.05908	0.2
293.20636	0.4
305.16248	0.3
311.22321	0.9
313.27905	0.4
325.27576	0.9
339.07593	0.2
343.28571	2.2
344.29053	0.2
349.27463	0.2
357.22839	2.8
367.28473	1.3
375.23956	5.9
376.24292	0.5
427.30667	0.3
439.30679	0.4
451.30569	0.4
457.31479	0.4
469.31631	1.3
487.32880	40.8
488.33279	5.9
505.33984	19.1
506.34296	2.7
547.14050	1.3
547.30530	1.6
548.33484	0.3
558.77991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.6
57.03328	3.6
58.00478	1.3
59.01265	42.9
61.98720	15.8
63.48099	0.8
68.99706	33.0
69.03337	1.1
69.05071	0.8
70.12368	3.5
71.00896	1.9
71.01270	26.0
72.99185	2.2
73.02841	17.6
74.75284	0.9
75.00764	2.5
83.01286	6.6
83.04919	0.9
84.62981	0.9
85.02841	7.1
87.00787	3.6
88.98704	4.0
89.02337	31.9
93.03362	1.0
95.01274	1.6
96.95940	1.2
97.02802	1.6
98.19866	1.1
99.00778	100.0
99.04454	2.7
100.01122	2.0
101.02346	18.3
108.02045	1.1
109.02847	2.2
109.06469	1.2
113.02365	13.8
113.03152	1.2
113.06036	0.8
114.02674	0.8
115.00321	1.0
115.03930	0.9
117.01866	4.1
117.03397	0.9
117.05498	2.6
119.03465	6.1
119.04898	1.4
121.02857	1.5
125.02362	4.8
127.00272	1.3
129.01915	1.2
131.03410	2.1
133.02867	1.4
133.05025	1.3
135.04454	3.6
136.01582	0.8
137.02390	2.2
137.06029	1.1
143.03435	3.0
145.02834	1.0
149.02444	0.9
149.04491	3.9
151.00313	1.5
151.03896	1.5
151.07603	2.8
152.01062	1.5
152.07935	1.1
154.35902	0.9
160.03993	1.9
161.02426	1.0
161.04491	7.7
163.03944	3.6
165.01831	1.1
166.05014	3.0
167.05432	1.0
175.03880	1.3
178.06274	2.8
179.05591	3.5
189.12837	3.1
193.08694	3.5
207.13823	1.7
209.04457	1.5
225.99367	0.9
226.28166	1.0
241.04897	1.4
269.04602	2.8
270.05286	1.1
285.04129	4.2
285.07614	1.4
299.05621	1.2
300.06262	1.1
337.09811	1.0
343.08224	4.1
353.71249	0.9
354.11148	1.7
371.20825	1.2
384.12051	1.2
385.09180	2.2
385.17374	1.0
387.20306	10.0
388.20645	1.8
404.32593	0.9
427.09351	1.3
455.19601	1.7
487.22318	20.9
487.28873	1.4
488.22476	2.0
503.25113	2.1
503.33572	1.0
547.14563	5.7
547.17432	5.4
547.27838	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	547.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	75.5
58.00491	2.0
58.03656	1.4
59.01265	100.0
61.98717	1.1
64.16501	0.8
69.03345	1.4
69.22417	0.8
69.22754	9.3
71.01270	25.8
72.99202	2.4
73.02845	7.4
75.00757	1.5
81.03378	1.4
83.01282	5.9
85.02840	9.1
87.00776	1.9
88.38288	0.8
89.02337	17.4
89.02863	0.6
93.03381	1.0
95.01286	1.3
95.04938	1.0
96.95933	1.8
97.02911	1.3
99.00775	1.5
99.04419	85.7
100.04756	2.6
101.02348	32.9
102.02731	0.8
108.02084	0.8
109.02880	2.6
113.02353	9.8
114.93323	3.7
115.00279	1.0
115.46115	0.8
117.03347	8.0
119.03400	5.6
121.02846	1.2
123.04436	2.5
125.02366	40.4
126.02692	1.2
131.01274	0.8
135.04485	1.0
137.02367	8.3
139.11215	1.8
143.03426	6.2
149.02414	1.9
149.04518	1.4
149.09647	4.0
151.03918	1.2
151.11185	1.5
161.02419	1.9
161.04489	6.0
163.03970	1.0
167.03433	3.9
167.10713	7.4
173.02409	3.0
175.00334	5.9
179.03339	1.3
179.05614	2.0
190.43773	0.8
203.07214	1.0
205.12331	3.2
209.06546	1.8
223.13414	1.6
249.05562	1.2
269.04657	4.2
279.06238	0.7
281.04730	1.8
281.08246	2.5
282.05325	0.9
283.06042	4.0
293.04626	63.3
294.04971	6.8
295.06332	1.9
306.05420	1.0
307.06036	1.2
309.04156	2.6
309.07562	1.3
311.05649	5.0
312.06216	2.0
315.07416	1.1
323.05588	3.3
325.07343	1.0
335.05707	2.4
337.07327	5.9
338.07642	1.0
339.08795	1.2
341.06647	4.6
349.06955	1.1
354.07385	1.1
365.06689	2.1
367.07977	3.7
367.12064	1.7
383.07791	67.9
384.08258	12.5
385.13504	1.7
385.18744	9.3
403.19806	23.4
404.20145	2.4
409.09583	1.1
427.10416	1.9
431.10016	1.0
445.20865	23.0
446.21255	1.9
457.11594	1.1
485.24026	6.1
503.11765	2.1
503.25092	5.2
504.24951	1.1
547.14728	48.3
547.24054	64.4
548.15021	9.1
548.24457	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	547.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01265	7.3
59.12912	0.3
61.98719	2.0
65.03838	0.6
69.03345	0.3
69.79681	1.6
71.01276	1.8
72.99204	0.4
73.02843	0.6
75.00780	0.2
78.95784	0.9
80.02572	0.2
83.01250	0.4
85.02831	0.7
87.00784	0.3
89.02300	0.6
91.05418	1.7
93.03355	0.8
95.01279	0.3
97.02850	1.1
99.00750	0.4
101.02339	1.1
107.04893	0.3
108.02072	3.6
109.02868	8.4
110.03187	0.3
111.08099	0.3
113.02341	0.9
119.04925	0.5
121.02872	9.3
121.06476	0.3
122.03671	0.3
123.04395	0.4
125.02346	0.9
131.66699	0.3
132.80370	0.3
133.02884	1.3
134.03680	2.9
135.04451	16.1
136.04767	0.6
146.03624	0.3
147.04433	4.1
147.08102	2.0
148.05249	1.7
149.02306	0.3
149.05968	0.3
151.00272	0.3
154.89009	0.2
159.04408	0.3
160.05229	0.9
161.04630	0.4
161.06024	4.1
161.09615	0.4
163.03900	0.3
163.07573	0.3
171.10318	0.3
173.06029	2.3
175.07602	0.5
177.09158	4.4
186.06729	0.4
187.07640	0.4
188.08372	0.2
189.09180	13.0
190.09509	0.8
193.08662	0.7
197.11752	1.0
198.12099	0.6
201.09195	0.6
203.10756	15.8
204.11128	0.8
211.07617	0.3
215.07184	0.3
215.10760	4.1
216.11432	1.0
229.12265	0.2
238.06366	0.3
241.05029	1.1
253.09294	1.0
254.09525	0.3
255.06627	0.6
255.13937	0.5
256.07465	4.0
281.15515	0.6
283.13446	0.5
292.20016	0.3
293.04669	0.4
294.04758	0.3
307.13434	1.1
309.20764	0.6
310.12158	0.6
310.21082	1.0
311.21936	0.9
325.14505	100.0
326.14847	9.5
383.07794	0.3
461.32327	0.3
487.33224	0.8
505.33762	0.4
547.15717	0.7
547.29309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48592	0.6
55.01766	0.8
57.03339	3.2
58.00478	1.6
59.01266	100.0
60.01611	1.1
61.98726	4.3
69.03353	1.9
69.78306	0.6
70.56677	1.9
71.01273	23.4
71.04925	0.6
72.99199	2.5
73.02843	6.9
75.00765	1.4
81.03368	1.9
83.01281	4.7
85.02844	6.8
87.00782	2.3
87.04461	0.6
88.98717	2.0
89.02337	19.7
93.03363	0.7
95.01321	0.9
97.02871	2.2
98.95799	0.6
99.00803	3.3
99.04440	2.5
101.02351	14.1
102.02656	0.5
103.03912	7.7
108.02080	0.8
109.02891	0.6
113.02362	4.9
117.03378	1.5
117.05516	0.7
119.03423	5.5
119.04944	0.6
121.02883	3.1
123.04456	0.6
125.02367	13.3
125.03239	0.8
126.02731	0.8
127.03923	0.8
131.03432	1.3
131.04980	0.7
134.88527	0.5
135.04488	2.1
139.03900	0.7
143.03433	1.4
145.04999	2.2
149.04549	2.3
149.06075	0.7
151.00375	0.7
151.07599	2.0
152.01173	1.1
152.07996	0.8
159.04501	0.6
160.01646	1.5
161.02428	0.7
161.04514	3.1
163.03976	8.2
163.06073	10.2
175.04027	1.8
178.06310	7.0
179.03546	0.8
191.05614	0.8
193.08672	5.1
197.04642	0.9
205.07205	1.3
211.04132	1.7
247.08282	2.1
268.03955	1.1
269.04617	5.6
293.08810	5.0
307.10400	8.0
308.10876	1.1
323.09842	0.7
325.07614	0.6
337.06274	1.0
337.09848	1.2
343.08264	0.6
369.19211	0.6
371.07770	0.7
376.54800	0.7
385.17932	0.7
387.20670	1.2
419.12250	1.9
425.08929	0.8
427.09308	2.7
429.21124	3.0
502.34842	0.8
547.13501	5.9
547.25208	1.0
547.32404	1.8
548.14404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03002	0.8
51.52399	0.8
52.50195	0.8
57.03321	1.6
58.00467	3.0
59.01265	100.0
60.01608	1.4
63.38606	0.9
69.03332	3.7
71.01270	74.8
71.54288	1.2
72.01615	1.7
72.99185	3.3
73.02847	7.2
75.00766	1.4
75.77135	0.8
81.03338	3.4
83.01270	3.7
85.02834	9.7
85.60025	0.9
87.00774	3.3
88.98676	1.3
89.02337	99.7
90.02682	1.8
95.01303	1.3
97.02859	7.5
99.00785	2.7
101.02350	17.5
111.00782	4.0
113.02354	11.4
115.89471	0.9
119.03423	5.2
119.04941	1.2
125.02369	24.2
127.03880	1.0
131.03423	26.0
135.04439	2.6
139.03914	1.0
143.03404	2.4
149.04500	43.5
163.03958	27.0
164.04231	2.1
167.03474	1.5
178.06322	21.4
179.06712	1.2
191.05588	10.6
193.08675	13.7
233.06657	4.0
293.08853	63.6
294.09302	5.6
341.83411	1.0
418.75204	0.9
546.95862	0.9
547.13696	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	547.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
55.63837	0.2
57.03337	0.6
58.00490	0.3
58.17797	0.2
59.01265	24.2
61.98717	10.6
65.00213	0.3
68.50224	0.2
68.61764	0.2
69.03324	0.2
71.01270	5.3
71.04928	0.2
72.99200	0.3
73.02829	1.4
74.23295	0.2
75.00777	0.2
75.60288	0.2
78.95831	0.2
82.94492	0.2
83.01282	0.9
85.02844	2.5
87.00787	0.6
87.04393	0.2
89.02335	1.6
93.03379	0.4
94.73785	0.2
95.01293	0.7
96.95942	0.4
97.02862	0.5
99.00787	0.7
101.02351	3.2
102.02760	0.2
105.61825	0.2
107.04930	0.4
108.02053	0.3
109.02886	0.3
111.00768	0.3
113.02356	3.1
119.03407	0.4
119.04946	0.2
121.02872	100.0
122.03204	3.5
123.08132	0.2
124.01646	0.3
125.02365	1.7
131.03450	0.5
133.02849	0.2
135.04474	0.4
137.02400	0.4
143.03459	0.5
147.08086	0.2
149.04498	0.5
152.01028	0.2
159.02902	0.2
161.02414	0.4
161.04504	2.1
173.05896	0.2
179.05656	0.2
191.07123	0.8
205.31364	0.2
210.90785	0.2
217.05066	1.2
217.06879	0.2
218.05338	0.2
238.33362	0.2
255.06824	0.2
311.21857	0.2
313.27350	0.3
325.27533	0.4
343.28564	1.3
383.13467	1.2
385.29749	0.3
425.14563	0.2
457.14615	0.2
487.24939	0.5
487.32855	6.5
488.33298	0.5
505.33923	2.2
506.34317	0.2
547.15039	0.7
547.28705	0.4
547.34503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24681	0.2
57.03350	0.4
57.34248	0.2
59.01269	3.9
61.98714	0.6
62.68565	0.2
63.02272	1.3
65.00227	0.9
68.99712	0.2
69.70982	1.2
71.01276	1.8
72.99201	0.4
73.02834	0.6
83.01270	0.6
85.02857	0.5
87.00778	0.3
87.04388	0.3
89.02332	0.8
93.03371	0.4
96.95905	0.2
97.02855	0.2
99.04414	0.5
101.02347	1.1
107.01292	1.8
109.02881	0.5
113.02362	0.6
117.03366	3.2
117.05485	0.5
119.04934	0.4
121.02858	0.8
122.02389	1.0
123.04449	0.4
125.02364	1.0
133.02875	0.4
135.04414	0.8
141.09184	0.2
147.04460	0.3
148.01619	0.4
149.02386	1.4
149.99516	0.3
151.00323	1.7
151.03908	0.3
151.07475	0.3
159.04478	1.1
161.02426	1.8
163.00310	0.4
165.01913	0.3
165.05499	0.2
167.03432	0.3
169.01413	0.3
169.06537	0.4
171.04466	0.9
172.05241	0.2
173.02361	0.2
173.05951	0.3
174.81616	0.2
175.00368	0.4
177.01854	0.6
181.06462	0.3
183.04478	0.7
189.01997	0.3
192.99649	0.4
195.04462	0.3
196.05266	0.8
197.06020	0.8
199.03902	0.2
200.04852	0.3
201.05591	0.8
207.06645	0.3
211.03999	1.3
212.04752	0.4
213.01994	0.2
213.05614	0.2
218.19376	0.2
224.04758	0.3
225.05536	1.3
227.03551	0.5
239.03459	1.6
240.04349	2.3
241.04895	0.5
253.05038	0.4
267.03024	0.9
268.03827	35.0
269.04599	100.0
269.45126	0.2
270.04947	8.3
281.04642	1.7
282.05420	4.4
283.06152	3.6
284.06461	0.3
285.04114	0.2
287.05838	0.3
293.04660	1.5
295.03003	0.2
295.05927	1.0
307.06332	0.2
309.04236	0.4
310.04889	0.5
311.05679	4.9
312.05972	0.3
314.04391	1.0
323.05618	1.4
335.05685	0.6
337.03513	0.2
337.07318	0.4
341.06845	2.5
342.07104	0.3
347.05594	0.4
353.06781	0.5
355.08276	0.3
365.06906	0.5
383.07730	2.2
384.08511	0.7
385.09201	0.7
385.16852	0.5
401.08813	1.6
401.78323	0.2
457.11453	1.9
547.14691	72.8
548.15039	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	547.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99821	0.2
55.01768	0.3
57.03336	1.3
57.60194	0.1
58.00486	1.3
59.01264	22.7
60.01601	0.3
62.49460	0.2
65.00198	0.3
69.26654	0.9
69.27081	1.2
71.01269	6.8
72.01604	0.2
72.99195	2.2
73.02834	2.8
75.00758	0.4
81.03345	0.4
83.01292	0.4
85.02843	4.0
87.00762	0.4
89.02339	3.3
93.03372	0.4
94.50682	0.2
95.04896	0.2
96.95919	1.0
99.00798	0.2
99.04426	0.7
101.02341	3.3
103.03934	1.2
108.02090	0.2
109.02866	0.5
110.42936	0.2
111.00807	0.2
113.02356	0.7
115.00261	0.6
117.03367	9.8
118.03731	0.4
119.03422	0.7
119.04913	0.3
121.02854	0.4
123.04405	0.3
125.02338	0.4
131.01323	1.6
133.96458	0.2
135.04463	0.3
143.03432	0.3
145.02853	0.3
149.02382	0.4
151.00287	0.2
151.07603	0.7
152.01009	0.2
153.05409	0.2
159.04410	0.4
161.02354	1.0
161.04465	0.5
161.29570	0.2
163.00267	0.4
163.03963	1.0
163.06062	0.3
173.02412	5.7
174.02698	0.2
175.00328	8.5
175.03864	0.4
177.01859	0.3
179.05588	0.3
185.02382	0.3
187.03975	0.2
189.01839	0.2
189.56062	0.2
190.02707	0.2
193.01445	0.3
193.06569	0.4
201.01884	0.2
203.10719	0.2
205.53821	0.2
221.06241	0.3
224.04884	0.2
224.31544	0.2
227.03448	0.2
237.05585	0.6
239.07008	0.3
249.05614	1.3
251.03537	0.6
253.05194	0.2
265.05078	0.9
268.03745	0.9
269.04626	9.4
270.05008	0.9
277.05490	0.3
278.05862	0.3
281.04572	1.3
282.05429	0.8
283.06192	3.9
284.06534	0.2
285.04065	0.4
291.06943	0.2
293.04626	100.0
294.04974	9.3
295.06116	0.7
297.04358	0.2
299.09290	0.5
306.05310	0.7
307.06204	0.5
309.04001	0.3
311.05685	7.7
312.06024	0.7
314.04407	0.7
321.07739	0.2
323.05673	1.7
335.05679	3.5
336.06018	0.7
337.06854	0.3
341.06781	2.3
342.07077	0.3
353.06631	0.4
357.90485	0.3
365.06549	0.3
367.08246	0.2
383.07791	87.4
384.08136	8.9
384.13226	0.3
385.09109	0.6
401.09067	0.5
426.09601	0.3
427.09396	0.5
431.09637	0.4
457.11404	3.5
458.11816	0.4
484.34464	0.2
502.34814	0.5
503.34909	0.2
546.33716	0.6
547.14679	37.7
548.15076	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	547.1472
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
57.03339	2.3
57.36889	0.5
58.00484	2.5
59.01264	51.9
60.01616	0.8
69.25611	6.7
71.01272	14.4
72.99199	4.0
73.02835	5.7
75.00757	0.8
83.01279	1.5
83.04926	0.8
85.02839	8.6
87.00791	1.7
89.02336	8.6
93.03361	1.0
98.19734	1.2
99.00774	0.8
99.04453	2.5
101.02346	7.7
103.03903	3.2
109.02866	0.7
111.00820	0.6
113.02407	2.0
115.00318	1.0
115.56863	0.5
117.03373	5.9
117.04053	0.5
119.03433	1.9
119.05054	0.6
125.02353	1.3
127.03970	0.6
131.01358	1.1
133.02876	1.0
135.04469	1.2
143.03447	0.6
149.02498	0.8
159.04509	0.9
161.02451	1.7
161.04507	1.4
163.00356	0.6
163.03920	0.6
165.01854	0.9
166.91760	0.6
167.03561	0.8
173.02348	2.7
175.00327	5.8
175.02512	1.7
175.03894	0.7
177.01941	1.6
183.04459	0.8
189.01990	0.8
201.01968	0.7
205.01503	0.8
207.03099	0.8
239.07239	0.7
251.07312	0.8
253.05156	1.1
259.67505	0.5
268.03943	1.0
269.04599	9.0
269.07227	0.7
276.48990	0.5
281.04590	6.4
282.05438	4.7
283.06168	7.9
284.06644	0.6
293.04623	65.0
294.04977	5.8
295.06134	5.0
296.07047	0.7
297.07852	1.1
306.05389	1.1
307.06308	1.1
308.03357	1.1
309.04263	1.5
310.05048	0.9
311.05664	9.6
312.06128	0.8
314.04468	2.2
321.04333	1.1
323.05658	8.4
324.06091	0.7
325.07211	0.7
327.05365	0.8
335.05713	4.5
336.06332	0.7
337.03687	0.7
337.07382	1.6
339.05334	1.6
341.06720	6.8
342.07095	1.0
347.05920	0.6
351.05084	0.8
353.06775	5.2
365.06998	1.7
367.04913	0.6
369.06430	1.6
381.06430	1.1
383.07797	68.6
384.08173	7.6
401.08798	0.8
403.19876	0.7
411.07657	0.8
427.06665	0.7
429.08505	2.0
441.08383	1.6
443.09988	3.3
444.10632	0.8
445.08353	0.8
457.11893	2.0
459.09912	1.0
471.09509	3.8
503.32486	1.0
519.12134	0.6
547.14948	100.0
548.15308	16.1
548.23138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
58.00478	1.7
59.01265	37.0
69.48863	2.5
71.01270	7.5
72.99196	1.8
73.02840	3.5
76.79095	0.3
83.01290	0.4
83.02357	0.3
85.02847	5.9
87.08832	0.3
89.02337	5.5
95.01298	0.3
99.00780	0.3
99.04435	0.3
101.02345	4.3
103.03918	2.9
109.02845	0.6
115.03889	0.3
117.03357	4.7
117.04079	0.4
119.03428	1.4
119.04949	0.4
123.16480	0.3
125.02348	1.2
126.57172	0.3
131.01300	1.3
133.02962	0.3
135.00786	0.4
135.04398	0.8
137.02359	1.8
145.02910	0.3
149.02388	0.9
159.04448	0.4
161.02374	1.5
163.00343	1.0
163.03908	0.4
163.06046	0.5
165.01895	0.8
173.01099	0.3
173.02385	1.8
175.00323	4.2
177.69460	0.3
189.02005	0.3
217.01514	0.3
221.06123	0.4
225.05563	0.4
237.05562	0.6
239.03661	0.3
239.07146	0.4
249.05441	0.5
253.05139	1.2
254.05946	0.8
265.05118	0.9
266.05695	0.3
268.03796	1.2
269.04593	9.9
270.04962	0.6
279.06689	0.7
281.04596	7.9
282.05377	20.1
283.06110	9.9
284.06534	0.9
291.06564	0.5
293.04626	48.4
294.04987	4.9
295.02982	0.6
295.06140	4.4
296.06580	0.7
297.04187	0.4
297.07693	0.8
301.11136	0.4
306.05408	0.4
307.06198	0.9
308.03467	0.4
309.04065	1.6
310.04831	1.9
311.05655	12.9
312.06052	1.2
314.04401	4.3
321.04306	0.4
322.04871	1.1
323.05673	9.0
324.06018	1.0
325.07208	0.7
335.05670	4.0
336.06085	0.4
337.03516	1.1
337.07114	0.9
341.06705	11.0
342.07123	1.0
347.05740	0.4
353.06671	2.5
354.07190	0.3
365.06668	1.1
367.12192	0.5
383.07791	52.2
384.08099	5.9
400.08099	0.6
401.08807	2.4
457.11469	10.3
458.11707	1.5
529.13361	0.5
547.14679	100.0
548.15051	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	547.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	19.6
58.00470	1.1
59.01265	44.4
61.98709	3.6
69.31120	5.2
71.00895	0.8
71.01272	10.0
72.99191	1.5
73.02837	3.0
75.00765	3.3
81.03349	1.1
83.01265	2.0
83.67242	0.5
85.02840	4.7
85.44433	0.4
87.00779	0.9
89.02339	5.8
91.87743	0.5
93.03356	1.0
94.97998	1.1
95.01304	0.6
96.95927	2.9
99.00795	0.6
99.04422	17.7
101.02345	9.0
103.03923	1.1
113.02348	2.8
117.03374	14.1
117.04207	0.9
118.03715	0.5
119.03439	1.4
119.04924	0.7
125.02364	8.5
131.01341	1.6
133.02899	0.7
135.04486	1.1
137.02419	0.8
143.03412	1.9
145.02879	0.8
149.02347	0.6
149.04478	0.7
149.09598	1.4
152.01125	0.7
153.01923	0.6
161.02361	2.1
161.04512	1.8
163.00233	0.7
163.03931	1.3
167.10712	2.1
168.05075	0.5
173.02399	7.9
175.00330	10.8
175.01866	0.4
175.03831	0.6
179.03484	0.7
187.03911	0.6
193.06590	0.5
203.03452	0.9
205.01324	0.6
205.12373	0.7
209.06654	4.4
223.13326	0.8
227.03316	0.6
249.05576	1.4
250.15694	0.5
265.05252	0.8
268.03827	0.7
269.04636	3.5
277.05405	0.6
278.05710	0.7
279.06595	1.2
281.04626	2.5
281.08130	1.6
282.05334	0.9
283.06177	4.8
293.04620	90.8
294.04980	7.3
295.06110	1.4
306.05548	2.3
307.06396	1.2
309.07870	0.6
311.05719	5.9
312.06171	0.7
314.04300	0.5
315.04019	0.5
315.07364	0.6
319.71744	0.5
323.05692	3.6
335.05603	3.1
337.07193	3.4
341.06680	5.5
347.05536	1.0
365.06787	1.6
367.08423	1.3
383.07791	100.0
384.08170	11.3
385.18790	3.3
401.08615	0.7
403.19958	5.0
417.14807	0.6
427.10239	0.7
445.20898	4.6
457.11581	2.1
485.23853	1.3
503.25317	1.4
547.14716	49.2
547.23999	14.1
548.15338	7.2
548.24225	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	547.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00842	1.4
51.14630	1.2
51.74178	1.4
54.61380	1.4
57.03340	63.7
59.01268	17.3
59.52691	1.3
61.98729	1.5
63.80084	1.7
64.25959	1.4
69.03336	3.1
69.47630	13.1
71.01273	22.0
72.99188	1.6
73.02840	2.8
81.03348	1.8
83.01306	3.4
85.02840	2.6
89.02325	4.2
96.95919	2.7
96.96904	1.3
97.02854	13.3
99.00783	2.1
99.04422	52.4
101.02345	22.7
113.02353	3.0
115.00288	11.8
123.04491	1.7
123.19764	1.7
125.02371	100.0
126.02704	3.5
133.01346	5.3
137.02371	4.7
143.03392	5.7
149.02409	1.9
152.01083	5.2
161.04486	6.4
203.05630	3.6
205.05096	2.3
205.12312	1.8
223.06137	2.0
287.07889	1.4
329.08896	8.3
330.09225	1.4
342.94824	1.6
369.12103	3.6
403.52875	1.3
431.12036	36.2
432.12378	3.4
450.70316	1.5
547.16229	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10677	0.6
55.01770	1.8
57.03338	8.7
58.00490	0.9
59.01267	18.5
61.98708	3.1
65.00224	0.8
68.99710	0.9
69.03352	1.8
70.83691	1.2
70.84029	1.1
71.01273	11.7
71.04910	4.0
72.99220	2.7
73.02837	10.5
75.00759	1.1
81.03343	1.1
83.01281	4.6
83.04929	4.0
85.02856	7.5
85.06513	2.8
87.00323	0.7
87.00768	3.7
87.04414	3.0
88.98688	3.7
89.02343	7.2
93.02869	0.7
93.03361	4.0
94.23605	0.6
95.01328	1.4
95.04936	2.2
96.95896	0.7
97.02828	0.9
97.06500	7.9
99.00774	8.0
99.04443	4.7
99.08060	2.3
101.02354	10.9
101.05994	2.1
107.01305	0.7
107.04959	0.9
107.08607	1.0
108.02070	5.7
109.02854	3.3
109.06483	7.5
111.04433	5.0
111.08067	1.7
113.02359	5.2
113.06014	4.0
114.06832	0.6
115.00307	1.2
115.07566	2.8
117.03381	20.4
117.05526	2.6
118.03746	1.2
119.03423	1.1
119.04962	2.7
120.01176	2.2
121.02859	1.1
121.06535	1.0
122.03638	0.9
123.04482	1.7
123.08081	7.2
125.02372	3.7
125.06009	1.1
125.09645	10.1
127.00303	1.3
127.07571	18.6
127.11224	1.2
129.09138	1.0
131.03462	1.2
131.04913	0.7
132.02061	1.0
133.02863	2.0
133.06529	2.4
135.04463	2.8
135.08049	0.7
136.05237	16.9
137.02397	2.4
137.05939	1.1
137.09639	1.9
138.06773	0.8
139.07558	0.8
139.11160	1.1
140.04744	2.5
141.05507	6.5
141.09128	3.8
143.03502	1.1
143.10710	1.4
145.02896	1.5
147.04433	0.9
149.02425	1.6
149.04485	4.2
149.06010	1.9
150.03091	0.9
150.06841	2.6
151.00377	0.7
151.07593	87.2
152.01099	10.6
152.07956	4.3
153.01831	1.5
153.05496	1.0
153.09172	1.6
155.03468	0.8
157.12291	2.0
159.04495	1.8
159.10301	0.8
161.02399	3.0
161.04498	2.6
161.05809	0.9
161.09650	0.7
163.03969	2.1
165.05515	0.6
166.05052	3.5
167.03406	1.0
167.07045	0.9
167.10748	1.4
169.08656	9.5
171.04512	0.8
173.02388	7.6
174.02859	0.8
175.00433	0.6
175.02423	1.6
175.03938	1.3
177.01907	12.8
177.05528	1.4
179.03510	1.0
179.05583	0.8
179.07071	0.9
179.10774	0.7
185.02383	3.7
187.04001	3.2
187.13361	2.1
189.01913	4.2
191.03494	1.2
191.05545	2.5
197.02502	3.4
201.01898	1.0
203.03462	2.1
203.05423	1.2
209.08167	0.9
211.07837	0.7
211.13318	0.8
215.03500	5.8
216.13611	0.7
217.01373	3.4
224.80379	0.6
227.03458	0.9
233.06511	0.9
235.06102	0.8
241.01419	3.6
243.02872	0.7
249.05554	1.2
265.05096	1.1
267.19608	1.6
269.04752	0.8
271.02536	0.9
277.05258	1.5
279.06708	0.7
281.04587	1.5
282.05276	0.7
283.06097	2.8
293.04709	3.2
294.05334	1.1
295.06046	3.3
296.06973	0.9
297.04489	0.9
297.07578	3.1
297.20715	1.1
305.04657	9.1
306.05313	6.8
307.06226	11.4
308.06680	2.2
309.04257	1.0
309.07684	1.3
311.05630	2.7
321.04251	1.0
323.05728	3.8
325.07117	1.3
331.24811	2.7
335.05688	34.5
336.05942	3.5
337.07156	1.6
338.04218	1.6
339.04926	2.1
341.06671	1.1
347.05569	0.9
347.09326	1.1
351.04883	2.0
353.06592	3.1
353.10336	1.1
354.06598	0.7
364.09448	1.7
365.06638	9.0
365.10538	1.4
366.06781	1.3
367.08258	0.7
369.06119	2.0
381.05966	1.6
382.06653	1.2
383.07599	1.5
383.11316	15.2
383.15286	2.5
383.75623	0.7
384.11630	1.6
385.18530	1.1
387.27588	1.7
389.29077	1.6
399.07397	1.0
401.08875	1.2
407.07431	1.0
425.08823	70.5
426.09216	11.3
427.09937	0.9
429.09518	1.1
441.08276	2.1
443.10229	1.2
455.09866	8.9
456.09961	1.6
457.35568	14.1
458.35559	2.2
459.09433	2.3
471.09344	0.9
483.33463	45.8
484.33640	7.2
485.30933	0.9
491.62103	0.7
501.10110	1.8
501.34497	100.0
502.34882	13.7
503.25156	0.9
524.00415	0.7
527.12524	2.2
545.12659	85.4
545.33777	12.6
546.13049	17.7
546.33203	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	545.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
57.03337	3.4
58.00484	0.7
59.01262	14.5
59.97766	0.2
61.98709	1.3
68.67194	0.2
69.03339	1.0
71.01265	8.7
71.04909	2.7
71.19217	0.2
71.31486	0.3
72.99212	0.5
73.02842	1.9
75.00796	0.2
81.03368	0.7
83.01297	1.4
83.04916	2.1
84.02071	0.3
85.02847	2.6
85.06478	2.3
87.00781	1.4
87.04408	1.0
88.98738	0.3
89.02336	8.8
91.03879	0.3
95.01311	0.6
95.04926	0.7
96.95896	0.3
97.02842	2.7
97.06487	0.9
98.03642	0.5
99.00798	0.7
101.02343	9.8
105.15746	0.2
107.01295	0.2
107.04944	0.2
108.02139	0.2
109.02856	0.6
109.06495	2.9
111.04420	1.5
111.08108	0.9
112.05241	0.2
113.02351	4.3
113.03070	0.3
113.05956	0.2
117.03456	0.3
119.03427	2.2
121.02861	0.4
121.06473	0.3
123.04449	0.3
123.08090	0.2
125.02367	0.9
127.07589	0.6
129.09123	0.4
131.03444	0.3
134.03673	0.5
135.04440	1.2
135.11682	0.3
137.09676	0.7
143.03419	1.2
149.04515	0.8
149.09641	0.2
151.00317	0.5
151.03972	0.2
152.01024	0.2
154.29370	0.2
157.12270	0.2
161.02438	0.3
161.04498	5.3
167.10747	1.1
169.12346	0.5
171.10205	1.1
177.01840	0.5
177.12866	1.1
177.16476	0.2
178.13072	0.2
179.05536	1.6
179.10741	0.8
179.14349	2.3
181.12306	0.7
183.13913	0.4
189.16399	0.2
195.13881	15.3
196.14171	0.9
205.12312	1.3
211.68515	0.2
217.15970	0.8
219.13826	0.3
221.15468	8.6
222.15820	0.7
223.13408	5.3
224.13705	0.3
225.15126	0.3
229.19562	0.3
233.15414	1.2
235.08237	0.3
235.17055	0.6
237.18675	0.5
239.12859	0.3
239.16565	2.7
240.16917	0.4
247.20709	1.3
251.16628	0.9
253.09320	43.2
254.09647	2.4
273.18683	2.2
274.18979	0.2
285.03998	0.3
286.04861	0.4
287.05844	0.2
291.19720	26.1
292.20102	2.6
309.20764	100.0
310.21106	10.0
312.06271	0.2
325.07108	0.2
335.05670	0.5
339.08707	0.4
341.14001	1.3
342.14627	0.3
367.08096	0.4
383.11328	0.8
425.08865	0.7
448.10306	0.2
485.31458	0.3
545.16980	1.7
545.29132	2.2
546.17651	0.3
546.29919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80616	0.7
57.03341	9.0
58.00476	3.9
59.01265	86.3
61.98719	2.9
69.03360	1.0
71.01270	62.8
71.53306	0.9
72.01593	1.3
72.99199	4.1
73.02831	15.9
75.00774	1.2
83.01282	6.7
85.02843	9.5
87.00775	4.2
89.02338	100.0
90.02677	0.9
91.74156	0.8
95.01287	1.4
96.95919	4.8
97.02858	0.9
99.00221	0.5
99.00780	21.4
99.04417	10.7
101.02348	46.8
102.02683	1.1
109.02863	0.7
110.84978	0.7
111.00735	1.0
113.02358	15.2
117.03353	0.9
119.03416	11.9
119.04904	1.9
123.04451	1.2
125.02364	10.0
127.00301	2.3
131.03430	19.5
135.08099	1.3
143.03430	3.2
143.87238	0.8
145.01326	1.3
149.04506	63.7
150.04842	1.7
161.04533	7.4
175.02385	0.9
177.01816	1.0
179.05585	11.5
180.45572	0.8
191.05563	13.4
191.10748	2.6
203.10764	1.1
221.06714	3.2
224.90358	0.9
225.05244	0.8
233.15445	1.1
245.15521	28.5
246.15900	1.4
251.07719	3.7
287.16486	7.0
293.09024	1.0
295.06192	1.0
297.07706	0.8
299.43713	0.7
307.91177	0.9
311.05878	0.8
311.09750	1.7
323.05579	1.1
328.06036	1.0
335.05679	1.4
353.06799	1.4
365.06479	1.3
395.08295	1.0
397.35342	0.7
401.18384	1.9
407.07947	1.1
413.21939	1.3
425.08972	4.5
425.21786	3.1
443.19284	2.5
467.23019	12.3
467.58774	0.9
468.23215	1.0
483.22507	1.3
485.24100	2.2
545.13507	13.3
545.26678	12.6
546.13751	3.8
546.26123	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	545.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.0
57.03337	96.4
58.00474	1.2
58.03666	1.3
59.01264	80.8
61.98706	1.7
69.03331	2.9
71.01270	46.8
71.04899	2.9
71.54272	1.0
72.01608	0.8
72.99202	4.5
73.02837	27.8
75.00761	2.8
79.05424	2.0
81.03356	5.1
83.01278	12.1
83.02386	1.6
83.04903	3.0
85.02843	10.4
85.06504	1.6
87.00778	11.6
87.04417	2.0
89.02338	27.6
93.03361	3.6
95.01283	3.4
95.04935	2.4
96.95906	2.2
97.02824	1.9
97.06498	4.0
99.00774	4.6
99.04420	100.0
100.04752	1.9
101.02348	62.5
101.05973	1.2
102.02645	1.0
107.04916	2.2
108.02081	1.3
109.02844	2.0
109.06496	4.1
111.00780	2.0
111.04430	5.5
111.08105	0.9
113.01630	1.4
113.02359	20.1
113.03149	1.0
113.05993	8.9
113.85898	0.7
114.02699	0.9
115.00248	1.0
115.03903	1.2
115.07534	0.9
117.01868	1.0
117.03371	11.4
119.03432	12.0
119.04900	2.8
121.02856	2.4
121.06489	1.4
123.00832	1.4
123.04444	11.9
123.08074	2.7
124.01585	1.1
125.02368	55.8
125.06003	1.7
125.09628	2.3
125.71318	0.7
126.02680	1.9
127.07582	4.5
129.01823	2.1
131.03409	5.0
131.08618	1.2
133.06511	1.4
133.13788	0.8
135.04459	2.6
135.08038	1.2
136.05197	6.3
137.02364	4.0
137.05989	1.2
137.09654	2.6
139.03943	5.2
139.07545	1.1
141.01811	0.9
141.05490	3.2
141.09175	0.7
143.03459	7.7
145.02837	0.8
145.04953	0.8
147.04408	1.5
147.08014	2.0
149.02432	5.1
149.04504	8.1
149.05762	1.4
149.09673	6.5
150.06743	1.0
151.03935	2.6
151.07588	30.5
152.01065	1.3
152.07857	0.8
153.01894	0.8
153.05525	5.0
157.04991	1.2
157.10106	1.8
159.02974	0.7
159.08066	1.2
159.10260	0.9
160.04167	0.8
161.02345	2.0
161.04486	12.7
161.09633	0.8
163.03934	2.4
163.07578	2.0
164.04736	5.9
165.05531	0.8
165.09152	8.5
169.08647	2.8
170.07292	2.1
171.04454	1.1
173.02386	4.6
174.01585	1.6
175.03912	1.4
175.11241	1.8
177.01962	1.3
177.05533	1.2
177.09138	2.4
178.06285	1.2
179.03439	0.9
179.04190	0.8
179.05563	6.3
179.07098	3.2
179.10619	1.1
181.04948	1.0
185.02359	2.3
185.09642	1.3
187.03915	1.8
189.01912	2.8
191.05568	1.0
191.07162	1.5
192.07872	2.0
192.99669	0.8
193.08621	0.8
193.12294	1.8
197.02408	1.1
197.08171	1.2
199.07657	0.8
201.01857	1.2
201.09225	1.1
203.03447	2.3
203.05534	1.5
203.10754	70.8
204.11102	4.9
205.05127	1.4
206.09369	2.1
209.08165	11.4
215.03467	2.4
217.01411	3.4
219.10139	1.6
220.11028	15.9
221.06660	2.8
221.11823	20.7
222.12117	1.0
223.06119	10.2
223.13358	1.0
224.06378	0.9
227.09256	1.6
231.10283	1.7
235.08099	0.8
241.01436	1.6
245.11835	1.4
247.13538	0.9
249.11458	8.1
253.08820	1.6
255.06627	3.2
263.12811	1.3
271.02582	1.0
271.06076	1.1
271.11902	5.6
275.12943	17.8
276.13293	0.9
281.04550	0.9
283.06201	1.4
293.04626	1.9
293.14005	9.5
294.14334	1.1
295.06155	1.9
305.04550	5.2
306.05365	3.4
307.06161	8.0
309.03958	1.7
311.05661	2.2
315.07486	0.8
323.05630	3.1
328.06094	1.0
335.05682	25.3
336.06036	3.1
337.07214	1.0
338.04330	1.4
339.05249	1.3
342.13400	2.2
351.05167	2.0
353.06659	2.7
365.06754	6.7
365.16061	7.2
383.07816	4.7
383.12177	1.2
383.17148	9.9
395.07568	1.2
401.13806	1.8
401.15414	1.4
401.18619	7.5
425.08875	44.4
425.17639	9.0
426.09100	5.7
441.08395	2.4
443.19193	3.9
455.09778	10.8
456.10114	2.1
457.35782	3.6
459.26181	0.9
465.21158	2.2
483.34280	12.6
484.33536	1.1
499.12451	1.1
501.14511	1.0
501.23291	1.5
501.35214	19.6
502.34720	1.5
527.12286	1.9
545.13080	68.6
545.22467	38.5
545.33240	27.5
546.13446	12.9
546.22705	5.4
546.33661	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	545.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79689	0.5
57.65944	0.5
59.01265	10.5
61.98723	3.3
67.01739	0.6
69.36365	3.6
69.36782	1.2
71.01265	2.4
73.02849	0.9
85.02834	1.7
87.00787	0.6
89.02328	1.0
91.05418	1.6
95.01287	0.7
96.99219	1.4
97.06524	0.6
99.00768	0.7
101.02329	1.0
102.88033	0.5
108.02094	1.1
109.02875	7.8
113.02371	0.9
119.04961	0.9
121.02899	4.6
129.01828	2.1
132.95558	0.6
135.04456	21.1
136.04761	1.0
137.50749	0.5
143.03473	0.7
147.04475	1.4
149.06024	1.3
159.04408	0.9
161.06046	1.4
173.06023	1.7
174.06781	0.9
175.07622	3.3
185.06036	0.8
187.07611	6.1
188.07970	1.2
189.09221	1.8
199.07602	0.9
201.09189	15.8
202.09549	1.1
209.99869	0.5
213.09236	3.9
214.09979	1.0
281.11935	0.8
305.11868	1.1
323.12955	100.0
324.13278	11.9
382.10538	1.5
383.11688	0.7
511.25339	1.3
527.26666	4.4
527.77338	2.0
545.16486	2.1
545.24884	0.8
545.33295	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27880	0.7
55.01628	0.8
55.01844	1.6
57.03126	6.5
57.03445	21.6
58.00557	1.2
59.00853	1.2
59.01040	8.6
59.01377	29.2
60.72694	0.7
61.98803	1.0
68.99854	0.8
69.03468	2.6
71.00720	0.9
71.00956	5.9
71.01400	27.0
71.04987	0.9
71.52113	1.3
72.98923	1.6
72.99329	2.9
73.02513	2.8
73.02971	12.5
75.00867	1.3
83.01425	5.0
83.05013	1.0
85.02430	2.9
85.02994	15.5
87.00919	4.5
87.04524	0.8
89.01908	2.1
89.02486	12.0
93.03525	3.3
95.01450	2.4
95.05034	1.3
96.96074	7.0
97.02975	1.7
97.06612	1.4
99.00940	6.9
99.03880	1.8
99.04577	16.2
101.01770	3.3
101.02505	29.1
107.05078	1.0
108.02211	1.9
109.02297	1.3
109.03014	3.0
109.06613	1.5
111.00912	1.6
111.04585	1.9
112.01746	1.1
113.02527	17.7
113.06133	1.8
113.99617	1.1
115.04086	1.2
117.03548	6.3
119.03592	3.0
119.05119	2.7
121.03016	1.0
123.04562	1.6
123.08163	1.0
125.02538	9.5
125.06086	0.8
127.00504	0.8
127.07718	1.2
131.03551	2.2
133.03018	1.7
133.06613	1.0
134.03828	2.4
135.04471	3.4
135.08200	0.9
136.05389	1.7
137.02582	2.3
137.06107	0.9
139.00414	1.0
139.04114	1.0
139.07718	1.0
143.02588	1.4
143.03610	3.8
145.02968	0.8
145.05135	0.8
147.04556	1.6
148.01804	0.8
149.02539	1.2
149.04674	3.7
151.04070	1.2
151.07588	9.0
152.01205	1.4
153.01985	1.5
153.05644	1.7
153.09245	0.8
157.00458	0.7
157.01552	2.7
159.03110	3.1
159.04590	0.8
161.02480	4.8
161.04503	20.4
163.04082	1.1
164.04941	1.5
165.09348	3.1
167.10995	0.9
169.08714	0.8
173.02551	1.2
174.01788	1.0
175.02588	1.1
175.04137	1.2
177.01909	10.4
179.05716	0.7
179.07170	1.0
187.04147	1.6
189.02011	1.5
191.03625	1.4
191.05623	0.8
191.10863	1.1
193.05074	3.9
193.08817	0.8
203.03696	1.5
203.07245	1.1
203.10875	1.4
205.01707	1.2
205.03635	0.8
215.03674	1.1
215.05551	0.9
221.11873	0.9
223.59094	0.7
247.08267	1.1
251.07314	1.9
253.08772	11.6
269.10333	11.1
270.11081	0.8
277.05444	0.8
279.06723	0.9
282.05588	0.8
283.06378	2.4
293.04691	1.3
294.05408	1.3
295.06119	4.3
297.07736	14.7
298.08054	1.9
305.04819	1.2
307.05920	3.6
309.04132	1.3
309.08499	0.7
311.05566	3.4
323.05652	4.9
325.07285	1.8
335.05569	5.2
336.05994	1.1
337.07333	2.1
338.04343	1.0
338.08096	1.3
339.05112	1.8
349.07413	0.9
351.05139	9.2
352.05579	1.6
353.06802	2.5
356.05246	1.1
365.06799	3.3
369.06308	0.9
379.08566	1.1
381.06125	2.6
383.07602	3.6
383.13553	14.6
384.13965	1.8
395.07834	1.2
401.14581	100.0
402.14960	10.9
425.08896	10.7
426.09116	1.5
427.19803	1.5
429.08273	1.3
441.08313	8.0
442.08643	1.4
443.15521	2.5
455.09689	2.7
471.09253	2.0
471.29507	1.2
473.10657	2.1
483.29111	2.1
483.34155	1.5
485.12540	0.9
501.13568	2.4
501.30637	4.5
501.33969	2.8
527.11816	4.1
527.31952	0.9
545.12781	52.3
545.18933	3.1
545.33936	8.3
546.13190	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	545.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	6.4
59.01262	22.0
60.01594	0.7
60.99178	0.8
61.98716	5.0
65.00195	0.6
68.99717	0.8
69.03323	1.3
71.01272	12.5
71.04890	2.5
71.54393	0.8
72.99194	3.4
73.02833	6.2
75.00757	1.7
77.10075	0.6
81.03338	1.2
83.01259	3.9
83.04913	1.8
85.02843	6.1
85.06469	1.0
87.00787	4.6
87.04402	1.7
88.98720	4.1
89.02338	6.4
93.03349	2.9
95.01301	1.3
95.04926	1.6
96.95899	1.8
97.02837	2.1
97.06514	3.3
97.07076	0.6
98.13489	0.6
99.00768	4.2
99.04411	4.6
101.02348	11.2
101.05962	2.2
103.03886	0.7
107.01292	1.0
107.04971	0.9
108.02051	1.2
109.02851	1.8
109.06507	2.0
111.00762	1.1
111.04446	1.6
111.08128	0.7
113.02337	6.5
113.05978	1.6
117.03376	8.1
117.05467	2.8
119.03429	1.7
119.04918	2.3
121.02819	1.8
121.06494	1.1
123.04456	3.1
123.08049	1.8
125.02386	6.0
125.06017	0.9
125.09641	1.9
127.00281	0.9
127.07558	3.2
129.01869	0.8
129.09102	1.0
131.03432	1.3
131.05020	0.6
133.02867	1.3
133.06487	2.6
135.04416	2.9
135.08064	1.1
136.05206	3.1
137.02342	2.9
139.03879	1.2
139.07498	0.9
140.04733	0.7
141.05463	1.0
141.09166	0.8
143.03419	1.1
143.10719	0.7
145.02924	1.4
149.02348	1.3
149.04460	1.9
149.06015	1.8
151.00363	3.9
151.04013	1.6
151.07603	16.4
152.01070	1.8
152.07933	3.6
153.01860	1.6
159.03223	0.9
159.04483	1.2
161.02382	2.9
161.04506	3.3
163.03903	1.2
164.04631	1.0
165.01904	1.0
165.05453	1.1
166.05017	2.6
167.03430	3.0
169.08595	1.5
173.02364	3.0
173.06000	0.8
175.00389	0.9
175.03946	1.8
176.00958	0.7
177.01854	2.4
179.03455	1.0
179.05557	1.3
179.07027	0.6
185.02417	1.4
187.03970	2.3
187.07596	1.4
189.01886	1.5
190.02560	1.1
191.07205	0.8
197.02428	1.0
200.68987	0.7
201.01923	1.0
203.03479	1.9
203.10710	2.4
207.03087	1.3
211.13286	0.8
215.03461	2.1
215.07034	0.9
217.01414	1.4
221.08270	0.9
223.07622	0.9
233.04436	1.2
241.01302	1.4
243.06635	0.7
266.05725	0.8
267.03030	1.4
267.06699	0.8
268.03802	2.4
269.04361	1.9
279.06677	0.9
281.04553	2.4
282.05292	1.5
283.06195	6.5
293.04617	3.0
293.07568	0.7
294.05423	1.0
295.06284	4.0
295.09470	1.0
296.06818	1.5
297.04367	1.4
297.07697	6.8
298.08105	0.7
300.02725	0.8
305.04565	3.7
306.05258	2.3
307.06360	4.2
308.06628	0.8
309.04010	2.4
309.07733	7.1
310.08038	1.2
311.05759	6.9
312.06113	1.2
321.04044	2.2
321.07755	3.5
323.05624	9.4
323.09491	3.6
324.06210	1.3
325.07184	2.9
328.05869	1.6
335.01688	0.8
335.05618	11.6
335.09323	2.2
336.06262	0.9
337.07266	3.7
338.04327	0.9
339.08798	21.7
340.09119	1.8
341.06656	1.6
342.03873	0.9
349.07242	1.9
350.07993	1.0
351.05124	1.7
351.08865	8.3
352.09451	3.8
353.06619	8.9
353.10400	5.0
363.08765	3.7
364.09665	1.2
365.06497	5.0
365.10376	2.5
367.08298	29.4
368.08859	4.3
369.06006	5.1
381.09937	22.0
382.06000	1.5
382.10587	20.3
383.06805	3.9
383.11871	5.4
397.09164	1.1
399.07410	4.2
425.08768	24.1
426.09030	2.8
441.08511	0.9
443.09897	4.2
455.09253	5.3
457.07663	1.2
457.35159	1.5
459.09454	7.3
460.09836	0.8
475.11545	0.7
482.32864	3.2
483.33420	5.0
485.31714	3.2
499.32892	0.8
500.33450	7.9
501.34409	13.9
502.34555	0.8
515.15839	0.9
527.14014	1.1
544.32642	5.1
544.77783	1.4
545.17438	100.0
545.32971	11.9
546.16595	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	545.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03298	1.3
58.00447	1.2
59.01264	31.9
59.01538	1.1
60.01572	0.7
61.98719	5.5
68.99689	0.6
69.03315	0.8
71.01269	15.2
71.04885	0.7
71.27798	0.4
71.55629	0.9
72.99197	2.1
73.02824	2.7
75.00798	0.4
79.01775	3.9
79.05413	0.4
83.01241	1.9
83.04901	1.0
85.02844	3.9
85.06449	0.5
87.00777	2.5
89.02341	9.1
93.03342	0.7
95.01268	1.0
96.95874	0.4
97.02828	0.7
97.06518	0.7
99.00734	1.7
99.04395	1.0
101.02351	8.0
101.05955	0.5
107.04887	1.4
108.02048	1.0
109.02850	2.3
111.00694	0.8
111.04397	1.2
113.02357	4.6
117.03327	0.6
119.03414	2.1
119.04922	0.9
119.08572	1.0
121.02821	1.3
123.04402	0.5
123.08039	0.6
125.02359	3.4
125.05957	0.6
125.09590	0.5
127.03918	0.6
129.15259	0.4
131.03372	1.9
131.04884	1.1
131.92561	0.5
133.02852	2.7
133.06427	0.9
134.03606	0.6
135.04433	2.1
135.08037	0.5
136.01559	0.5
136.03978	0.4
137.02301	0.9
139.03940	0.4
141.09128	4.1
143.03444	0.8
143.04897	0.5
143.08557	1.2
145.06500	0.8
147.04434	0.6
148.01593	0.9
149.02408	4.4
149.04468	2.7
149.06038	0.4
151.00262	1.3
151.07616	0.7
153.01857	0.4
157.06497	0.6
159.04384	1.0
159.08072	1.4
161.02408	2.2
161.04472	2.1
161.05972	1.4
163.07581	2.8
165.05481	0.5
172.05214	0.6
173.02342	0.5
175.03873	0.9
175.07567	1.9
177.01817	1.8
179.05544	0.6
181.12271	1.1
185.06000	1.4
187.07603	5.7
189.05511	1.3
191.05482	0.9
191.07031	0.7
191.14359	0.6
198.03242	0.8
199.13364	0.5
201.01961	3.0
201.11275	0.7
203.07130	10.8
203.97360	0.5
207.10246	0.6
209.11797	1.3
213.01953	1.2
213.05630	1.2
214.06265	0.4
215.03520	0.7
217.01401	0.5
224.04588	0.5
225.11279	0.9
227.03497	0.7
229.05099	0.5
231.06648	13.2
232.06842	1.1
239.06981	0.6
241.05125	0.8
251.16501	1.8
253.09094	1.1
255.02829	0.5
256.07404	0.9
256.72894	0.4
261.14954	0.6
267.02921	0.8
268.03760	3.9
269.04623	0.5
281.04681	0.5
282.05380	0.9
283.06046	0.6
285.04135	1.5
286.04456	0.6
287.05649	0.9
291.19720	0.8
293.08719	0.7
293.11877	0.7
294.05539	0.5
295.09729	0.5
296.03281	1.6
297.03903	0.6
307.05936	0.7
309.04089	0.8
309.11407	0.7
309.20828	1.8
311.05856	0.5
312.06491	0.8
313.06931	0.4
321.07932	0.6
321.11456	2.2
330.42709	0.5
335.05518	1.1
337.07169	0.9
337.10913	7.6
338.11292	0.9
339.15869	0.5
341.14069	0.6
365.10370	100.0
366.10712	11.9
368.09259	0.8
383.11456	5.2
383.18753	5.2
384.19366	0.6
425.08490	2.3
448.10205	0.6
455.13837	1.3
457.35379	0.8
483.33496	0.6
485.24051	1.2
485.31534	1.6
500.32922	0.5
501.27292	0.9
501.34430	0.8
527.15576	2.0
527.28772	1.5
528.16400	0.6
544.31927	2.4
544.68280	0.5
545.16876	45.9
545.33826	4.7
546.16901	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.0
61.98710	0.2
63.02302	0.2
65.00211	0.4
67.01794	0.2
71.01265	0.3
71.10026	0.1
71.10386	0.3
73.02840	0.3
74.41555	0.2
82.04412	0.1
85.02837	0.2
87.00771	0.1
89.02326	0.3
89.03870	0.7
91.01794	0.3
93.86092	0.1
97.52179	0.1
99.53412	0.2
100.20820	0.1
101.02337	0.4
103.03881	0.2
105.03381	0.2
107.01311	0.3
109.02908	0.7
109.65188	0.2
119.03371	0.2
123.04438	0.2
133.02901	1.4
135.00774	0.4
143.03406	0.2
149.02374	0.3
153.01912	0.3
161.02336	0.2
163.06061	0.6
177.01895	100.0
178.02220	4.8
179.03447	0.2
205.07149	0.2
219.03014	1.3
288.26688	0.2
365.08755	1.0
485.13107	10.0
486.13538	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	545.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.7
57.03055	1.8
57.03334	35.1
59.01265	56.9
59.74369	1.1
69.03335	2.4
69.17188	9.3
69.17599	4.3
71.01270	39.8
72.99200	2.6
73.02834	22.8
75.00764	2.7
81.03342	1.6
83.01280	7.1
85.02840	21.5
87.00787	6.5
89.02338	16.8
93.03365	3.0
95.01252	3.5
96.95916	6.4
97.02879	3.1
97.06470	1.7
99.00784	7.9
99.04414	19.3
101.01714	2.6
101.02348	41.1
102.02630	1.5
107.04965	1.7
109.02822	1.6
111.00802	1.4
113.02358	23.1
113.05997	1.4
115.03895	1.4
117.01865	1.4
117.03366	10.2
117.05463	1.5
119.03436	3.6
119.04902	3.0
123.04395	1.7
125.02370	11.8
131.03444	3.2
133.02869	2.2
134.03629	2.5
135.04448	3.0
135.08008	1.3
137.02351	2.0
143.03410	4.4
147.04451	1.5
149.04468	4.0
151.07555	4.3
155.03423	1.6
159.02972	2.5
161.02345	5.7
161.04494	25.4
161.05859	2.1
165.09138	3.1
173.02403	1.7
174.01616	2.3
174.35469	1.3
175.02498	1.6
175.03960	3.2
177.01874	12.1
179.07021	3.3
189.01811	1.9
191.03485	1.9
191.10687	1.2
193.05005	2.1
203.03421	3.0
214.57118	1.3
219.02940	1.7
231.02925	1.9
233.15410	2.5
247.08197	3.0
251.07207	1.8
253.08614	2.9
260.87555	1.3
267.06824	1.1
267.12375	2.7
269.10413	13.8
270.10693	1.7
281.04556	3.0
283.06140	6.7
293.04385	1.7
295.06158	11.8
296.06842	2.0
297.07663	7.2
307.06061	7.4
309.07602	2.3
311.05554	6.5
312.06027	1.5
314.04486	1.6
321.04074	2.4
323.05634	12.3
325.07205	1.8
328.05814	1.5
335.05823	9.1
337.03683	1.9
337.07257	4.8
339.05081	4.2
341.06564	1.9
351.05206	20.4
352.05640	2.2
353.06665	5.4
363.05026	2.9
365.06616	7.8
369.06351	2.6
372.27869	1.2
381.06036	7.1
383.07819	6.3
383.13446	15.2
384.13440	1.3
398.63483	1.4
401.14566	92.5
402.14935	9.7
413.08517	1.9
425.08743	14.8
426.09473	2.4
427.19431	1.8
429.08270	4.8
429.17389	1.6
437.08981	2.0
441.08279	22.7
442.08542	3.0
443.09912	2.2
443.15274	2.3
455.09882	6.4
467.09598	2.2
471.09335	5.7
473.10815	3.6
501.10828	3.8
501.30411	2.0
527.12183	9.0
545.13025	100.0
545.33325	6.2
546.13257	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	545.1319
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
55.01767	2.7
57.03055	1.8
57.03334	35.1
59.01265	56.9
59.74369	1.1
69.03335	2.4
69.17188	9.3
69.17599	4.3
71.01270	39.8
72.99200	2.6
73.02834	22.8
75.00764	2.7
81.03342	1.6
83.01280	7.1
85.02840	21.5
87.00787	6.5
89.02338	16.8
93.03365	3.0
95.01252	3.5
96.95916	6.4
97.02879	3.1
97.06470	1.7
99.00784	7.9
99.04414	19.3
101.01714	2.6
101.02348	41.1
102.02630	1.5
107.04965	1.7
109.02822	1.6
111.00802	1.4
113.02358	23.1
113.05997	1.4
115.03895	1.4
117.01865	1.4
117.03366	10.2
117.05463	1.5
119.03436	3.6
119.04902	3.0
123.04395	1.7
125.02370	11.8
131.03444	3.2
133.02869	2.2
134.03629	2.5
135.04448	3.0
135.08008	1.3
137.02351	2.0
143.03410	4.4
147.04451	1.5
149.04468	4.0
151.07555	4.3
155.03423	1.6
159.02972	2.5
161.02345	5.7
161.04494	25.4
161.05859	2.1
165.09138	3.1
173.02403	1.7
174.01616	2.3
174.35469	1.3
175.02498	1.6
175.03960	3.2
177.01874	12.1
179.07021	3.3
189.01811	1.9
191.03485	1.9
191.10687	1.2
193.05005	2.1
203.03421	3.0
214.57118	1.3
219.02940	1.7
231.02925	1.9
233.15410	2.5
247.08197	3.0
251.07207	1.8
253.08614	2.9
260.87555	1.3
267.06824	1.1
267.12375	2.7
269.10413	13.8
270.10693	1.7
281.04556	3.0
283.06140	6.7
293.04385	1.7
295.06158	11.8
296.06842	2.0
297.07663	7.2
307.06061	7.4
309.07602	2.3
311.05554	6.5
312.06027	1.5
314.04486	1.6
321.04074	2.4
323.05634	12.3
325.07205	1.8
328.05814	1.5
335.05823	9.1
337.03683	1.9
337.07257	4.8
339.05081	4.2
341.06564	1.9
351.05206	20.4
352.05640	2.2
353.06665	5.4
363.05026	2.9
365.06616	7.8
369.06351	2.6
372.27869	1.2
381.06036	7.1
383.07819	6.3
383.13446	15.2
384.13440	1.3
398.63483	1.4
401.14566	92.5
402.14935	9.7
413.08517	1.9
425.08743	14.8
426.09473	2.4
427.19431	1.8
429.08270	4.8
429.17389	1.6
437.08981	2.0
441.08279	22.7
442.08542	3.0
443.09912	2.2
443.15274	2.3
455.09882	6.4
467.09598	2.2
471.09335	5.7
473.10815	3.6
501.10828	3.8
501.30411	2.0
527.12183	9.0
545.13025	100.0
545.33325	6.2
546.13257	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	543.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01597	0.7
61.98723	0.5
69.84511	0.9
72.11587	0.2
74.29896	0.2
80.53632	0.2
89.46098	0.2
122.21111	0.2
124.40170	0.2
356.90863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	1.1
57.03341	2.3
59.01265	10.5
61.98721	3.3
69.03368	1.2
69.72101	3.2
71.01271	3.8
71.04912	4.4
72.99230	0.7
73.02875	2.1
80.02597	0.6
83.01308	1.0
83.04919	2.7
84.05259	0.5
85.02879	1.4
87.00782	4.4
89.02366	1.7
95.01319	0.6
95.04953	1.3
95.45716	0.5
97.02847	6.1
97.06499	4.0
99.00780	29.3
99.04455	1.1
100.01083	0.6
101.02364	2.4
108.02141	0.6
109.02859	1.0
109.06470	2.3
110.03683	1.6
111.04462	2.2
113.02398	1.9
114.87635	0.5
119.03490	0.7
121.02917	0.8
121.06503	0.7
123.08102	3.4
125.02406	1.9
125.09647	10.4
127.03972	0.9
127.11227	0.7
133.02948	0.7
135.04480	1.4
135.08170	1.2
141.09152	2.9
142.02676	1.9
143.03439	0.6
145.10185	0.7
147.04507	0.6
151.00307	0.5
151.03990	1.0
151.11288	0.5
153.12837	1.0
155.14412	1.0
161.02432	1.3
161.09650	0.8
163.11235	12.6
164.11600	0.8
179.10826	0.7
181.12300	28.1
182.12704	1.5
185.11803	0.5
194.51935	0.5
197.11858	3.4
199.13368	13.8
200.13734	1.3
207.10254	45.3
208.10611	3.5
209.11852	1.1
225.11333	70.9
226.11694	4.6
243.12404	60.3
244.12759	3.8
253.05125	0.8
255.03004	2.5
281.04684	2.7
283.02573	1.5
284.02969	0.7
285.03906	0.7
293.04553	2.3
299.14902	1.7
317.16119	27.8
318.16458	1.6
335.09357	0.9
336.10095	3.8
337.10648	1.1
339.12439	3.7
362.07983	1.3
363.08682	1.7
381.09705	4.8
382.10123	0.8
389.63913	0.5
412.30438	0.6
455.34122	0.9
497.14746	0.6
499.15997	1.8
499.32571	1.3
525.14557	0.8
525.27032	3.9
543.15833	10.0
543.28021	100.0
544.15198	2.0
544.28436	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	543.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76587	0.1
57.39603	0.1
59.01266	1.2
61.98716	0.3
65.03519	0.2
65.03843	2.4
67.01778	0.6
77.34113	0.2
91.05429	8.1
92.05775	0.4
93.03362	1.8
100.44176	0.1
100.89755	0.1
107.04935	0.4
108.02082	1.5
109.02862	26.4
110.03179	0.9
111.00772	0.2
115.44939	0.1
116.31932	0.1
119.04954	0.3
121.02870	13.2
122.03177	0.3
123.04398	0.1
133.02893	1.2
134.03642	0.5
135.04448	76.3
136.04781	3.4
147.04454	9.8
147.06184	0.2
148.04857	0.6
149.05951	0.1
159.04465	3.3
160.05135	0.5
161.05922	0.2
163.07616	0.5
173.06001	0.2
175.07578	0.7
176.08376	0.3
177.05640	0.2
177.09125	0.4
187.07623	0.7
188.08382	0.4
189.09189	1.1
190.09779	0.3
191.10759	2.8
192.11081	0.2
199.07626	0.3
201.09203	1.2
202.09978	2.0
203.10278	0.1
211.07648	0.3
213.05637	0.1
213.09235	0.3
214.09914	0.2
215.10783	1.2
217.12340	9.8
218.12640	0.8
225.09282	0.7
227.07094	0.7
228.58434	0.1
237.09235	0.8
239.07108	0.6
241.08745	0.2
251.07204	0.3
254.05949	0.2
254.13043	0.3
255.06624	0.4
256.11108	0.4
262.13617	0.2
263.07166	0.4
265.12421	0.5
266.05804	0.2
269.08224	0.6
271.17102	0.4
280.14767	0.6
281.08282	2.3
281.11539	0.3
282.08786	0.3
282.12604	0.6
295.17023	0.1
297.14957	0.6
306.12698	1.0
307.13193	0.3
309.11377	1.8
311.16556	0.2
321.14987	1.1
323.12997	0.4
324.13654	1.4
325.14084	0.2
339.16068	100.0
340.16406	12.2
363.16092	0.3
381.16785	0.3
483.05191	0.2
483.20151	0.7
484.20712	0.2
543.08331	0.1
543.22467	1.1
543.33386	0.2
544.22101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90188	0.1
58.46124	0.1
59.01257	0.9
59.89617	0.1
61.98706	0.5
65.03849	1.4
67.01776	0.6
69.89785	0.7
80.02534	0.2
91.05429	4.3
92.05801	0.2
93.03366	1.2
95.04915	0.2
98.20516	0.2
103.05433	0.1
103.56710	0.1
107.04922	0.4
108.02086	2.1
109.02860	28.3
110.03199	0.8
111.00797	0.2
119.04935	0.4
121.02870	7.5
122.03162	0.3
123.04439	0.3
133.02884	1.7
134.03664	0.5
135.04446	39.1
136.04770	1.8
146.03651	0.2
147.04457	9.8
148.04851	0.6
149.05994	0.2
156.37520	0.1
159.04453	2.5
160.05246	0.6
161.05981	0.3
163.07605	0.9
165.12907	0.3
172.05283	0.2
173.06032	0.4
175.07582	1.2
176.08316	0.4
177.09216	0.7
183.08096	0.1
183.13860	2.2
184.14427	0.1
185.06062	0.2
186.25816	0.1
187.07611	0.6
188.08400	0.7
189.09158	1.6
190.09927	0.3
191.10753	3.6
192.11090	0.2
197.06012	0.2
199.07687	0.3
201.05486	0.2
201.09148	1.3
202.09996	1.1
204.20274	0.1
207.08136	0.3
209.11815	1.4
211.07690	0.3
213.09241	0.4
214.09886	0.3
215.10760	1.7
216.11162	0.1
217.12334	5.6
218.12662	0.5
221.06117	0.2
225.05620	0.1
225.09178	1.1
227.07088	0.8
227.12880	0.3
237.09233	1.7
238.09628	0.2
238.13623	0.2
239.07121	1.0
241.08757	0.2
241.12457	0.3
251.07115	0.7
253.08839	0.3
254.05830	0.3
254.13190	0.4
255.06662	0.7
255.13693	0.2
256.11032	0.5
262.13660	0.2
263.07281	0.7
265.12363	0.7
266.05862	0.2
267.10342	0.3
269.08215	1.3
270.08896	0.2
271.13876	0.2
271.17126	0.9
279.13858	0.3
280.14716	0.7
281.08301	4.3
281.11688	0.5
281.14682	0.2
282.08582	0.4
282.12637	0.7
286.05017	0.2
291.10324	0.2
295.09781	0.5
295.17047	0.2
296.14252	0.2
297.14883	0.6
306.12646	1.5
307.13321	0.6
309.11383	2.6
310.11786	0.2
311.16635	0.3
321.15057	1.9
322.15536	0.3
323.13086	0.6
324.13736	2.5
325.13962	0.2
339.16061	100.0
340.16397	12.2
511.29214	0.8
544.16504	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11907	0.8
55.77081	0.7
57.03331	0.8
59.01264	100.0
60.01592	1.4
61.98718	5.0
65.75774	0.9
66.32382	0.8
71.01268	4.9
71.52155	1.2
72.99182	0.9
73.02844	1.7
81.03362	1.7
85.02835	2.4
89.02333	3.3
92.10442	0.8
97.02881	0.9
101.02334	1.5
105.72794	0.9
108.02075	1.3
109.02866	8.5
111.04365	0.9
113.02349	1.6
120.83445	0.8
121.02861	13.6
122.03183	0.8
123.00801	2.2
123.04430	7.4
125.02364	9.2
131.08606	1.2
133.02861	4.9
133.06612	1.5
134.03702	1.0
135.04449	2.7
137.02373	13.0
141.92093	0.9
147.08046	1.0
149.02383	4.3
149.05983	1.7
150.03146	3.6
151.03949	55.2
151.55537	0.8
152.04320	2.9
155.08641	0.9
157.10110	1.3
159.07910	0.9
161.04500	1.9
163.03951	3.7
171.04425	1.2
172.05249	1.3
173.06032	3.7
175.03909	1.3
175.07596	14.7
185.06061	3.4
187.07608	16.8
188.08321	3.3
189.09177	2.8
190.32249	0.8
199.07646	9.1
201.09184	65.8
202.09467	4.6
209.11728	1.6
211.07678	1.1
213.09196	3.0
215.10800	2.4
221.06461	0.9
253.09195	0.8
270.05624	1.0
306.09146	1.0
321.11374	65.6
322.11679	6.7
337.07181	1.1
337.10901	2.5
338.11642	4.1
339.12427	88.3
340.12759	9.3
380.12296	1.0
381.13565	1.3
393.13693	2.4
483.16879	4.7
543.18854	97.6
544.19000	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	543.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56237	0.1
55.01757	0.2
55.50133	0.1
57.03337	8.9
57.03598	0.3
58.03632	0.5
59.01262	3.0
61.98684	0.5
62.74761	0.1
65.03815	0.4
67.01761	0.2
69.03321	0.2
70.73985	0.3
71.01270	2.6
72.01572	0.2
72.99161	0.2
73.02832	1.6
73.95776	0.1
75.00729	0.3
79.05419	0.2
81.03321	0.2
83.01275	0.8
85.02847	1.3
87.00735	0.5
88.35768	0.1
89.02353	0.9
91.05422	0.2
93.03310	0.1
95.01240	0.4
96.56635	0.1
97.02836	0.2
99.00735	0.5
99.04411	3.2
100.04697	0.4
101.02348	3.4
102.02667	0.2
105.03327	0.2
107.04923	0.2
108.02123	0.6
109.02861	7.0
110.03164	0.3
113.02357	1.1
119.04983	0.2
120.36391	0.1
121.02844	0.6
123.04398	0.3
125.01548	0.1
125.02351	1.3
127.03889	0.1
132.02065	0.4
133.02838	0.5
135.04424	1.1
136.01610	0.2
137.02371	0.2
141.09114	0.2
143.03372	0.1
143.04977	0.1
145.02835	0.5
146.03685	0.3
147.04442	1.3
149.02313	0.2
149.06027	0.6
150.03055	0.1
158.03656	0.3
159.02950	0.2
159.04382	0.3
159.08093	0.1
160.00581	0.1
160.01601	1.2
161.02393	8.4
161.04488	0.5
161.05965	0.2
162.02873	0.4
163.07552	0.4
169.06712	0.1
171.04442	0.1
171.08026	0.2
172.05194	0.3
173.02354	0.3
173.06026	1.0
173.48245	0.1
174.03195	0.7
175.02509	0.2
175.03944	1.8
175.07637	0.7
177.09119	0.2
185.02489	0.2
185.06017	0.3
186.03139	0.4
186.06752	0.2
187.03981	0.7
187.07579	0.2
188.04692	0.3
189.05496	0.4
189.09126	0.3
190.06253	0.2
191.07098	2.3
192.07709	0.3
193.08617	0.2
197.06038	0.4
198.06792	0.1
199.03967	0.3
199.07535	0.4
201.05487	0.3
201.09203	0.3
202.06323	0.3
203.07130	0.6
205.08562	0.2
209.06027	0.2
211.03929	0.2
211.07565	0.5
212.04591	0.1
213.05501	0.6
214.06300	0.3
215.07098	0.3
217.08705	0.8
221.06227	0.2
224.04724	0.3
225.05602	0.7
225.11304	0.2
226.06406	0.8
227.03456	0.4
227.07014	0.4
228.04247	1.4
228.07835	0.2
229.05014	0.2
229.08717	2.5
230.09251	0.4
237.05443	0.2
238.06331	0.4
239.07077	0.5
240.04279	0.2
240.07964	0.2
241.04980	0.7
241.12231	0.1
242.05750	0.3
243.06651	0.2
250.06337	0.3
251.10683	0.2
252.04333	0.4
253.05046	1.4
253.12354	0.3
254.05743	0.4
255.03143	0.1
255.06599	0.8
256.07092	0.2
264.04169	0.1
265.05075	0.3
265.12308	0.2
266.05890	0.7
267.06558	0.9
267.13950	0.3
268.03900	0.2
268.07373	0.2
268.10934	0.1
269.04614	1.3
269.11874	0.2
270.05383	7.3
271.05856	0.7
277.05127	0.3
277.12259	0.2
278.05832	0.5
278.09387	0.1
279.10052	0.2
281.04651	0.6
282.08899	0.1
283.06171	1.5
283.13260	0.2
284.06943	6.5
285.07330	0.5
291.06717	0.2
293.11765	0.6
294.12360	0.2
295.06177	2.8
295.09497	0.1
295.13364	0.5
296.06912	1.6
297.07397	0.2
297.11060	0.2
305.08313	0.5
306.08997	0.5
309.07919	0.2
311.12872	0.9
321.11359	3.3
322.11630	0.3
323.09210	0.3
324.10031	1.4
325.10333	0.1
337.10956	0.9
338.11639	2.4
339.12421	100.0
340.12750	10.4
361.86200	0.1
381.13565	0.4
389.22629	3.7
389.72806	5.5
390.23062	1.3
390.73175	0.3
448.47617	0.1
455.35104	0.6
456.35825	0.5
483.16837	0.3
499.33075	0.1
501.18039	0.3
542.77649	0.3
543.18915	9.2
543.31995	0.5
544.19250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.3
61.98714	0.5
71.01275	0.4
71.12012	0.2
71.46756	0.3
73.02854	0.2
74.34280	0.2
83.01299	0.2
85.02853	0.3
87.00773	0.2
93.03336	0.4
107.59526	0.2
109.02824	0.2
117.03401	0.8
125.02390	0.3
132.02075	1.0
135.04393	0.3
161.02429	0.3
175.02409	0.4
175.03925	0.2
187.03989	0.3
199.04050	0.2
199.07631	0.3
214.02696	0.7
215.03441	0.2
217.08722	0.3
223.07671	0.4
226.02728	0.3
227.03465	0.5
227.07117	0.2
229.08714	0.3
235.07693	0.3
239.07153	0.5
245.08270	0.2
249.05670	0.2
251.07193	1.0
263.07224	1.5
265.05045	0.5
266.05765	0.3
267.06622	1.5
269.04758	0.2
269.08221	0.3
275.07162	0.4
277.05151	0.4
278.05957	0.6
279.06665	1.9
281.04691	0.4
281.08090	0.3
282.05405	0.4
290.06003	0.3
291.06683	0.7
291.10199	0.2
292.03979	0.4
293.04733	0.4
293.08246	0.3
294.05396	0.6
295.06143	5.5
296.06665	0.5
297.07736	1.0
303.10239	0.4
305.12140	0.2
306.05374	0.6
307.06183	13.5
308.06503	1.2
317.08224	0.3
318.05237	0.2
319.06189	6.7
319.09573	0.3
320.06549	0.7
321.11304	0.3
325.07208	4.8
326.07581	0.4
328.05988	0.3
332.10599	0.3
333.11417	0.5
335.09369	0.8
337.07230	7.0
338.07565	0.6
339.12354	0.6
343.10269	0.3
347.09308	0.6
349.11017	0.5
350.11642	6.6
351.12280	1.6
361.10730	0.5
362.11646	7.9
363.12350	2.9
364.13101	0.3
365.10315	0.5
379.12012	0.5
380.12717	30.6
381.13315	7.7
382.13794	0.4
405.44635	0.2
513.17749	0.9
520.12201	0.4
525.17755	3.2
526.18066	0.4
543.18811	100.0
544.19214	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05688	0.2
57.03308	0.8
59.01261	6.5
59.71548	0.2
61.98691	0.7
65.07498	0.2
68.99691	0.2
69.03326	0.3
71.01274	1.6
71.04877	0.7
71.59933	0.4
72.99187	0.6
73.02838	1.1
75.00742	0.3
81.03343	0.3
83.01241	0.4
83.04910	1.5
85.02816	0.6
87.00773	9.5
87.04387	0.3
89.02322	0.6
93.03349	0.5
99.04391	0.7
101.02332	0.8
101.05915	0.2
101.38417	0.3
103.00229	0.9
107.04893	1.0
108.02043	0.4
108.19691	0.2
109.02859	2.3
111.04420	1.9
113.02310	0.6
113.05953	0.3
113.68198	0.2
117.03344	0.3
119.04943	0.3
121.02844	1.0
121.06557	0.3
125.02422	1.3
125.05972	0.5
126.03196	0.2
127.03900	0.9
127.07544	0.3
132.02039	0.2
133.02878	5.7
135.04430	2.2
137.02351	0.5
139.03906	0.6
141.09158	1.7
144.30504	0.2
145.02850	0.4
147.04463	0.4
148.01563	1.0
149.02373	1.9
149.06007	0.3
151.03961	0.4
152.01073	0.3
153.01791	0.3
157.06528	1.0
158.02208	0.3
159.04416	0.5
161.02332	0.7
161.04445	0.4
171.08005	0.3
173.02335	0.4
173.05928	0.4
174.03154	0.2
175.03960	0.8
177.01865	0.3
185.06023	1.1
187.03951	0.3
189.01904	0.2
199.03969	0.3
201.01883	0.8
201.05531	1.0
203.07265	0.3
209.06068	0.3
211.03954	0.7
215.29196	0.3
217.08665	1.0
223.13487	0.3
226.06281	0.5
227.03520	0.7
227.07112	0.7
229.01305	0.3
229.04987	1.4
237.05551	0.3
239.03362	0.2
245.09680	0.4
247.07721	0.4
249.05507	0.3
255.06657	0.8
260.08585	0.3
263.07272	0.4
263.10779	0.7
273.09186	0.7
275.07205	1.3
276.07932	0.7
277.05240	0.3
277.08508	0.4
279.03046	0.3
279.10294	0.5
280.03812	0.4
289.08743	1.1
290.09259	0.3
291.03290	0.4
291.06705	0.8
291.10312	1.7
292.07416	0.4
299.07089	0.3
301.08807	0.3
303.06625	0.7
304.07443	0.9
307.02463	0.6
307.06268	0.5
307.09613	2.1
315.06958	0.3
317.08334	1.2
318.08554	0.5
319.02454	0.7
319.06183	0.5
319.09567	1.2
320.06866	0.7
321.07861	0.4
321.11234	1.2
322.04877	0.4
335.09302	7.9
336.09729	1.0
339.12415	3.5
340.12714	0.5
345.07794	2.2
346.08444	0.6
348.06250	0.4
351.08771	0.5
361.07162	0.4
362.08005	0.7
363.08801	59.9
364.09152	6.9
366.07056	0.2
369.26593	0.4
379.08023	0.3
380.12997	0.4
381.09860	100.0
382.10205	11.9
383.28186	0.3
394.26810	0.3
400.16269	0.3
440.08670	0.3
455.29785	0.9
455.34207	1.0
481.31720	1.0
499.33203	1.6
542.31250	0.3
543.14423	4.6
543.31903	15.8
544.16241	0.9
544.32574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95656	0.3
57.03342	1.6
59.01002	0.4
59.01267	6.6
61.98717	1.6
67.01763	0.6
68.99708	0.3
69.03345	0.6
69.86298	1.6
71.01268	6.3
71.04905	0.4
72.99177	0.7
73.01726	0.3
73.02842	2.3
73.84318	0.3
75.00758	2.5
78.95782	0.5
80.96413	0.4
83.01270	1.2
83.04924	2.5
85.02842	4.4
87.00761	4.2
89.02345	1.6
93.03357	0.6
95.04901	0.7
96.95906	1.6
97.06470	1.1
99.00777	1.3
99.04401	0.9
101.02353	2.1
101.05986	0.6
106.85104	0.3
108.01993	0.4
109.02862	1.0
109.06444	0.7
111.04424	3.4
113.02365	2.2
115.00256	0.9
115.03845	0.4
117.03342	0.8
121.02863	0.7
123.00786	0.5
123.04425	0.4
123.08086	0.5
125.02396	1.5
125.05956	1.1
125.09670	0.4
127.03909	1.4
127.07555	1.1
131.03416	0.8
132.02072	1.3
133.02888	0.6
133.06499	0.4
134.03618	0.4
135.04472	0.6
137.02335	0.5
139.07573	0.6
143.03430	0.6
143.10674	0.5
149.02357	0.4
151.07611	2.0
161.02350	0.4
161.04517	0.7
171.04420	0.4
175.02452	2.3
185.02411	0.4
193.05098	0.4
201.02048	0.4
205.08708	0.5
214.02721	1.6
217.05054	0.4
219.06401	0.3
225.05606	0.4
226.02728	1.6
227.03430	0.7
229.05009	0.5
235.07799	0.3
251.07217	0.7
257.04663	0.4
263.07193	2.5
264.07034	0.4
275.07187	1.5
278.05875	0.6
279.06641	1.3
289.04971	0.3
289.81345	0.3
291.06729	2.1
292.03867	0.7
292.06979	0.4
293.04697	0.4
293.08469	0.7
306.05383	1.9
306.08719	0.6
307.06177	11.1
307.09778	0.6
308.06693	1.4
309.07632	0.9
311.18671	0.5
318.05374	0.6
319.06186	9.5
319.09418	0.4
320.06546	1.5
321.07745	2.3
321.11176	0.5
333.07651	0.9
334.08405	0.4
335.05447	0.6
336.06171	0.5
337.07260	8.6
338.07635	1.1
339.08719	0.6
339.12378	4.3
340.12921	0.6
341.19717	0.6
349.07330	1.9
350.08020	6.9
351.08569	1.7
361.07245	0.7
362.08047	11.7
363.08646	4.0
367.08145	1.0
380.09097	33.6
381.09653	9.4
382.09933	0.6
415.27014	0.5
423.11206	0.5
437.33035	0.5
455.34296	1.8
469.43182	0.3
470.23709	0.4
481.31573	1.2
483.33765	0.5
499.32980	4.7
513.13843	0.8
525.14020	2.5
526.14282	0.6
534.25775	0.7
539.37799	0.5
542.30402	0.5
543.15186	100.0
543.26239	15.6
543.32410	8.9
543.76575	11.7
544.15515	14.7
544.27679	1.7
563.78101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95656	0.3
57.03342	1.6
59.01002	0.4
59.01267	6.6
61.98717	1.6
67.01763	0.6
68.99708	0.3
69.03345	0.6
69.86298	1.6
71.01268	6.3
71.04905	0.4
72.99177	0.7
73.01726	0.3
73.02842	2.3
73.84318	0.3
75.00758	2.5
78.95782	0.5
80.96413	0.4
83.01270	1.2
83.04924	2.5
85.02842	4.4
87.00761	4.2
89.02345	1.6
93.03357	0.6
95.04901	0.7
96.95906	1.6
97.06470	1.1
99.00777	1.3
99.04401	0.9
101.02353	2.1
101.05986	0.6
106.85104	0.3
108.01993	0.4
109.02862	1.0
109.06444	0.7
111.04424	3.4
113.02365	2.2
115.00256	0.9
115.03845	0.4
117.03342	0.8
121.02863	0.7
123.00786	0.5
123.04425	0.4
123.08086	0.5
125.02396	1.5
125.05956	1.1
125.09670	0.4
127.03909	1.4
127.07555	1.1
131.03416	0.8
132.02072	1.3
133.02888	0.6
133.06499	0.4
134.03618	0.4
135.04472	0.6
137.02335	0.5
139.07573	0.6
143.03430	0.6
143.10674	0.5
149.02357	0.4
151.07611	2.0
161.02350	0.4
161.04517	0.7
171.04420	0.4
175.02452	2.3
185.02411	0.4
193.05098	0.4
201.02048	0.4
205.08708	0.5
214.02721	1.6
217.05054	0.4
219.06401	0.3
225.05606	0.4
226.02728	1.6
227.03430	0.7
229.05009	0.5
235.07799	0.3
251.07217	0.7
257.04663	0.4
263.07193	2.5
264.07034	0.4
275.07187	1.5
278.05875	0.6
279.06641	1.3
289.04971	0.3
289.81345	0.3
291.06729	2.1
292.03867	0.7
292.06979	0.4
293.04697	0.4
293.08469	0.7
306.05383	1.9
306.08719	0.6
307.06177	11.1
307.09778	0.6
308.06693	1.4
309.07632	0.9
311.18671	0.5
318.05374	0.6
319.06186	9.5
319.09418	0.4
320.06546	1.5
321.07745	2.3
321.11176	0.5
333.07651	0.9
334.08405	0.4
335.05447	0.6
336.06171	0.5
337.07260	8.6
338.07635	1.1
339.08719	0.6
339.12378	4.3
340.12921	0.6
341.19717	0.6
349.07330	1.9
350.08020	6.9
351.08569	1.7
361.07245	0.7
362.08047	11.7
363.08646	4.0
367.08145	1.0
380.09097	33.6
381.09653	9.4
382.09933	0.6
415.27014	0.5
423.11206	0.5
437.33035	0.5
455.34296	1.8
469.43182	0.3
470.23709	0.4
481.31573	1.2
483.33765	0.5
499.32980	4.7
513.13843	0.8
525.14020	2.5
526.14282	0.6
534.25775	0.7
539.37799	0.5
542.30402	0.5
543.15186	100.0
543.26239	15.6
543.32410	8.9
543.76575	11.7
544.15515	14.7
544.27679	1.7
563.78101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35788	0.1
57.03338	0.4
57.25307	0.1
59.01266	5.0
60.01571	0.1
61.98720	1.2
67.27114	0.1
69.03381	0.2
71.01266	1.1
71.04901	0.2
71.17301	0.2
71.52510	0.2
72.99187	0.2
73.02847	0.4
75.00764	0.2
83.01269	0.2
83.04932	0.4
85.02846	0.5
85.06490	0.2
87.00765	1.1
87.04356	0.2
89.02337	0.5
93.03358	0.4
96.95881	0.2
97.02837	0.3
97.06506	0.2
99.00776	0.5
99.04377	0.3
101.02354	0.8
103.00284	0.2
108.02078	0.3
109.02871	1.1
111.04418	0.3
111.08030	0.2
113.02345	0.5
116.38112	0.1
117.03422	0.2
119.03442	0.2
121.02875	1.4
123.04384	0.2
123.08063	0.1
125.02358	0.6
125.09632	0.4
133.02881	1.0
134.03603	0.3
135.04454	3.7
137.02405	0.2
139.03954	0.3
141.09192	0.9
143.03436	0.4
146.03673	0.3
148.01605	0.8
149.02403	0.9
151.00308	0.3
151.03958	0.2
159.04456	0.2
161.02357	0.3
161.04549	0.2
163.11203	0.2
173.05988	0.2
173.97319	0.1
174.03206	0.3
175.03824	0.2
177.01935	0.2
179.10718	0.3
185.11798	0.2
186.03133	0.2
197.11812	0.9
198.03169	0.3
199.04039	0.2
201.01909	1.0
201.05495	0.3
201.11235	0.3
202.02705	0.3
203.03510	0.2
203.07137	0.5
207.10358	0.3
209.11772	0.4
213.01949	0.3
216.04337	0.3
217.05115	0.3
217.08742	0.3
225.05679	0.2
225.11401	0.7
226.02794	0.3
227.03502	2.0
228.04335	0.2
229.05046	0.2
231.03006	0.2
239.03494	1.5
240.03880	0.2
241.05151	0.9
242.05754	0.2
243.06593	0.7
243.12482	0.4
247.06116	0.4
253.09279	0.2
255.03003	1.2
255.06618	0.4
257.04614	1.1
258.05237	0.5
263.06888	0.2
265.04965	0.2
266.05899	0.2
269.04709	0.2
271.06186	0.2
273.07831	0.4
279.06537	0.3
281.04709	0.4
283.02551	1.1
289.08630	0.2
289.18198	1.1
290.06064	0.2
291.06650	0.5
292.07434	0.2
293.04590	0.4
293.08044	0.2
295.09738	0.2
303.06677	0.3
305.08313	0.3
307.06229	0.4
307.09818	0.4
307.19269	0.5
308.06821	0.2
309.07648	0.4
318.05368	0.5
319.06152	0.5
320.06949	0.3
321.04105	0.5
321.07700	0.4
323.09219	0.2
331.06287	0.2
333.07816	0.2
334.04721	0.9
335.05664	1.2
335.09256	0.2
336.06393	1.8
336.10162	0.6
337.07031	0.2
337.10825	0.2
339.12473	0.7
347.05676	0.5
348.06464	2.0
349.07034	1.0
350.07901	0.4
351.08807	1.0
352.09589	0.2
353.10367	0.2
363.08698	0.4
363.12778	0.2
365.06696	0.7
366.07495	4.5
367.07788	0.5
369.09790	0.2
381.09866	100.0
382.10236	12.2
425.09912	0.2
455.34116	0.2
499.15955	0.5
499.25955	0.3
499.33112	0.4
507.22284	0.2
513.27216	0.2
525.14282	0.3
525.27209	0.6
543.14587	2.7
543.31415	1.5
544.14612	0.3
544.32605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17986	0.2
55.01783	0.2
57.03338	0.7
58.00509	0.2
59.01265	9.5
61.98712	2.0
63.78179	0.2
65.00224	0.5
71.01263	2.4
71.04912	0.3
71.52225	0.4
72.99210	0.5
73.02852	0.8
75.00745	0.2
80.44744	0.2
83.01310	0.6
83.04934	0.6
85.02859	0.9
87.00768	2.6
89.02364	0.9
93.03370	0.4
95.04932	0.2
99.04445	0.4
101.02339	1.2
103.00317	0.3
108.02086	0.5
109.02850	1.4
109.06516	0.4
111.04444	0.9
113.02350	1.1
117.03373	1.7
119.03411	0.4
119.04948	0.3
121.02886	1.2
123.04478	0.3
123.08073	0.3
125.02386	1.4
126.52984	0.2
127.11886	0.2
131.03459	0.3
132.02103	2.1
133.02878	1.2
133.06500	1.2
134.03674	0.6
135.04443	1.5
137.02376	0.6
141.09164	0.8
141.62741	0.2
143.03427	0.4
147.04478	0.3
149.05989	0.4
157.06517	0.7
157.68013	0.2
159.04449	0.3
161.02429	1.5
161.04500	0.3
163.00340	0.9
173.02362	0.5
173.05908	0.5
175.00288	1.1
175.07593	0.3
181.06546	0.3
185.05991	0.3
189.01938	0.5
193.06601	0.4
197.06131	0.3
200.01093	1.4
201.05553	0.9
203.07144	0.7
209.06078	2.4
209.11784	0.4
211.03897	0.3
211.42201	0.2
213.05525	0.4
217.08725	0.5
221.06123	0.5
223.03981	0.3
224.04649	0.4
225.05554	2.5
226.99901	0.4
227.07027	0.3
233.08206	0.3
235.04044	0.3
235.07397	0.2
237.05585	3.3
238.05952	0.2
239.03485	0.8
245.04572	1.5
249.05540	1.2
249.32584	0.2
251.03552	1.8
252.04234	0.6
253.05084	5.5
253.09348	0.6
254.05484	0.2
255.02985	1.5
263.03534	0.3
264.04263	0.9
265.01886	0.4
265.05075	2.1
266.05530	0.3
267.03152	0.4
268.03772	0.8
269.04596	0.5
275.07178	0.6
275.85092	0.2
277.08734	0.4
279.03354	0.3
279.06689	1.1
280.03809	0.6
281.04605	24.1
282.05069	2.2
283.02579	1.1
289.08719	0.3
289.18124	2.2
291.03079	1.1
291.06189	0.3
291.10123	0.3
292.03873	1.3
293.04617	29.5
294.04895	3.2
303.06760	0.5
304.07019	0.2
307.06192	0.3
307.09570	0.3
310.04193	0.3
314.04239	1.1
317.08212	0.5
318.09256	0.3
319.02637	0.6
319.06259	0.6
319.09592	0.4
320.06659	0.2
321.07846	1.9
321.11252	0.5
322.08237	0.4
327.15997	0.5
333.07764	0.6
334.08365	0.4
335.09290	1.2
336.10092	41.6
337.10730	11.9
338.11224	0.6
339.08350	0.3
339.12439	3.8
340.12790	0.5
345.17249	0.3
353.10730	0.3
362.08032	9.8
363.08749	5.0
364.09128	0.7
365.10403	0.4
379.12067	0.8
380.08795	0.4
380.12939	0.4
381.09796	4.1
382.10266	0.5
387.26611	0.2
389.22766	0.4
405.09924	0.3
409.13171	0.3
446.08615	0.5
455.33847	0.3
462.25085	0.7
476.09396	0.3
481.31006	0.3
499.16208	20.5
499.32245	0.8
500.16565	3.4
507.22522	0.4
525.14111	14.1
525.26874	0.5
526.14362	2.3
542.30554	0.4
543.15131	100.0
543.31897	4.6
543.78467	0.3
544.15497	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	543.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.4
57.03337	1.2
59.01265	6.6
61.98719	2.0
65.00159	0.3
65.03831	0.6
66.09855	0.2
68.99690	0.2
69.03309	0.3
71.00916	0.2
71.01265	2.9
71.04874	0.7
72.01585	0.3
72.99175	0.7
73.02827	1.7
74.85464	0.2
81.03313	0.4
83.01239	0.9
83.04915	1.7
85.02836	1.3
85.06437	0.3
87.00772	3.7
87.04379	0.4
89.02322	1.8
93.03322	1.0
95.01242	0.3
95.04935	0.3
97.02821	0.3
97.06452	0.9
99.00739	0.9
99.04420	1.2
101.02353	1.9
101.05979	0.5
103.00208	0.3
107.04873	0.3
108.02055	0.4
109.02863	4.5
109.06475	0.5
111.04433	2.6
113.02351	1.3
119.03394	0.5
119.04891	0.9
119.08559	0.4
121.02874	6.4
121.06462	1.1
123.00751	0.3
123.04416	0.6
123.08080	0.5
125.02382	1.3
125.05948	0.6
125.09589	0.8
126.77287	0.2
127.03883	1.1
127.07555	0.2
133.02821	1.0
135.04460	1.3
135.08043	1.0
139.03915	1.4
139.07521	0.3
141.08145	0.3
141.09145	4.4
147.00787	0.3
148.01630	0.6
149.02382	2.7
149.04419	0.7
151.00275	1.1
151.03894	0.4
152.01064	0.3
153.01851	0.5
159.04427	0.5
161.02449	0.3
161.04436	0.8
163.03938	0.4
169.06511	0.4
169.12257	0.3
171.04503	0.4
171.10231	2.0
173.06021	0.3
175.03926	0.3
175.07576	0.3
177.01826	0.8
181.06522	0.4
182.07346	1.7
185.02367	0.3
185.06067	1.4
185.11743	0.7
187.07545	0.6
188.01086	0.5
189.01765	0.3
195.04399	0.9
197.06024	1.1
198.06787	0.4
199.03873	0.7
199.07498	0.8
203.07025	0.4
207.10173	0.3
208.10907	0.3
209.06044	1.1
209.11790	0.6
210.06790	0.5
211.04047	2.1
211.13405	0.4
212.04553	0.5
213.01921	0.5
213.05531	0.5
225.05579	5.9
225.11336	0.4
226.06332	9.2
227.03491	13.1
227.06789	0.7
228.03908	1.0
229.05045	0.5
235.13380	0.9
237.05522	0.8
239.03526	1.2
248.08235	0.3
253.05147	1.6
253.09285	1.3
254.05850	4.9
255.03856	0.3
255.06494	2.1
260.08365	0.4
261.05548	0.6
263.07431	0.3
263.10764	0.4
264.04349	0.3
267.02994	0.5
269.04523	0.6
271.06213	1.7
273.09195	0.4
275.07135	0.9
275.10648	0.4
276.07950	1.1
278.05713	0.3
279.03064	0.7
279.06436	0.3
281.04584	0.3
287.07230	1.1
289.05377	0.4
289.08612	0.4
289.18268	1.2
291.02783	0.5
291.07080	0.4
291.10208	1.6
292.07135	0.5
301.08630	0.3
303.06677	2.4
304.07214	1.4
305.04788	0.3
305.08011	0.5
306.05072	0.3
307.02609	2.5
307.06119	0.5
307.09674	1.4
307.19165	2.0
308.03253	1.9
317.08072	0.9
318.08994	0.6
319.06256	0.6
319.09778	10.0
320.03323	0.3
320.06790	0.4
320.10107	1.0
321.07672	0.6
322.04822	0.6
335.09296	1.2
336.09915	0.3
339.12415	1.4
339.46609	0.3
345.07697	0.7
348.06534	0.4
362.07938	1.0
363.08807	36.7
364.09171	4.0
369.26593	0.7
380.08951	0.4
381.09860	100.0
382.05292	0.6
382.10202	12.2
453.15842	1.5
454.15543	0.3
455.34848	1.6
481.31827	1.3
483.22739	0.4
483.33881	0.6
499.33078	2.3
525.14355	0.9
525.27087	0.4
543.14954	6.8
543.31964	12.0
544.15558	1.2
544.31616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01684	0.2
55.23239	0.3
57.03331	0.2
59.01267	4.0
60.48350	0.2
60.99193	13.8
61.98713	0.8
65.03844	0.5
65.59528	0.2
68.66721	0.2
71.01271	1.9
71.51364	0.4
72.99194	1.1
73.02827	0.5
75.00760	0.7
78.38342	0.2
81.03350	2.4
82.08218	0.2
83.01280	0.7
83.04924	1.7
85.02846	0.6
87.00773	1.1
88.00299	3.1
88.98702	100.0
89.02335	6.6
89.03191	0.3
89.99041	1.1
90.01865	0.9
90.02657	0.3
95.01288	0.3
98.02471	0.2
99.00791	0.5
101.02357	1.0
105.36167	0.2
109.02870	3.9
111.00799	0.5
113.02378	0.8
119.03454	0.3
119.04967	0.6
125.02368	0.8
125.07078	0.3
127.03994	0.5
129.05463	0.3
137.02307	0.6
139.00290	0.3
147.04436	0.2
151.03918	0.3
153.01894	5.4
153.03023	0.9
154.02357	0.4
161.02405	0.5
161.04558	0.5
182.00359	0.3
224.17690	0.4
225.16017	0.5
328.39853	0.2
333.22855	0.4
360.05710	0.3
369.25113	0.3
447.29828	0.5
449.31369	2.9
451.33304	0.4
465.30856	2.0
481.33871	0.8
482.30966	0.3
509.18634	0.3
541.23279	2.7
541.35376	0.9
542.23737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13188	0.3
56.32796	0.3
57.03321	0.7
59.01264	27.7
61.98714	1.6
63.33537	0.3
67.01759	0.3
69.03354	0.4
71.01283	1.4
71.56147	0.3
71.56565	0.4
73.02826	0.6
79.23736	0.3
80.20435	0.3
83.01279	0.6
83.04903	0.7
84.73692	0.3
85.02853	0.8
86.57372	0.3
87.00776	2.7
89.02309	0.6
92.62118	0.3
93.03352	1.2
95.01311	0.4
96.95866	0.4
99.04414	0.7
101.02344	0.7
103.00203	0.3
103.05359	0.3
107.04910	0.4
108.02063	1.3
108.02737	0.3
109.02876	0.7
109.06481	0.5
111.00713	0.3
111.04398	0.6
113.02334	0.7
117.03384	0.9
121.02855	0.7
123.04446	1.8
123.08118	0.3
125.02361	2.1
125.05974	0.5
131.04947	0.4
132.02095	4.0
133.02895	1.5
134.03683	2.6
135.04489	0.5
137.02321	0.4
141.09138	0.6
143.59604	0.3
153.01813	0.4
157.06491	0.7
161.02435	0.4
169.06546	0.3
171.08063	0.5
173.06078	0.4
179.08540	0.4
181.06555	1.2
183.08119	0.9
185.06125	1.4
186.06828	0.5
187.07561	1.0
195.08064	0.4
196.66451	0.3
197.06123	1.4
198.06816	0.8
199.03958	0.4
199.07603	3.9
200.08099	0.6
201.05489	0.4
209.06085	0.5
211.04050	0.5
211.07628	0.9
211.46393	0.3
213.05566	1.1
215.07034	0.4
217.08641	0.4
223.07620	0.6
224.04611	0.3
225.05484	1.9
226.06367	1.1
227.03500	0.4
227.07161	2.1
228.07849	0.8
229.04953	0.5
229.08592	0.3
237.05638	0.7
238.06314	1.1
239.07123	2.3
240.07860	1.0
241.05087	1.1
243.06610	1.1
247.07510	0.4
249.29793	0.3
250.06421	0.3
253.05174	0.6
255.06569	0.6
257.08075	0.7
259.11295	0.4
261.09335	0.4
263.07150	0.7
265.05054	0.7
267.06592	0.8
268.07401	0.5
271.11288	0.8
273.09140	0.8
274.06360	0.5
275.07449	0.3
275.10861	0.4
276.07718	0.4
279.06662	0.4
281.04453	0.3
287.07208	0.4
287.10788	0.6
288.07858	0.9
289.08795	1.5
290.09247	0.4
291.06842	0.6
291.10254	0.6
293.04480	0.5
300.08002	1.2
301.08667	1.6
302.09055	0.6
303.10220	1.5
304.10962	0.4
305.08026	0.5
306.05377	0.5
307.06207	1.1
307.09631	0.5
314.09531	0.4
315.10385	1.2
316.07114	0.4
316.10754	0.3
317.08301	1.3
317.11844	0.6
318.05307	0.4
318.08917	0.5
319.06216	0.9
319.09918	1.0
320.06720	0.4
329.08356	0.7
330.05405	0.4
330.09048	1.1
331.09753	2.6
333.07831	0.7
335.09341	0.4
336.10080	0.6
337.10941	1.0
341.08084	0.5
342.09009	1.5
343.09778	1.4
345.07724	0.5
347.09381	1.3
348.10080	7.3
348.14236	0.3
349.10791	3.7
350.11511	0.6
359.09171	1.8
360.10107	22.3
361.10782	9.2
362.11270	0.8
365.23462	0.3
377.10495	0.4
378.11163	29.4
379.11911	64.6
380.12268	7.5
453.32480	0.4
481.32190	0.3
497.31357	0.8
511.16052	0.7
523.09583	0.3
523.16193	18.3
524.16522	2.9
541.17267	100.0
541.30664	4.3
542.17615	17.0
542.29907	0.6
553.95105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99324	0.1
57.03329	0.1
59.01252	0.7
61.98710	0.3
64.22707	0.1
65.03846	0.3
67.01778	0.1
69.03328	0.1
71.01273	0.4
71.59919	0.1
72.99192	0.3
73.02851	0.1
79.05427	0.7
83.04930	0.2
85.02844	0.2
87.00764	0.4
89.02335	0.1
91.01782	0.2
91.05421	0.2
91.13364	0.1
93.03356	2.1
95.01284	0.2
95.04919	0.2
99.00778	0.1
101.02332	0.2
103.05440	0.5
107.04930	2.5
108.02066	0.5
109.02871	0.4
111.04396	0.3
112.34823	0.1
113.02351	0.3
117.03359	1.1
119.04935	0.5
121.02891	0.2
122.03683	0.2
123.04437	0.9
125.02369	0.5
128.73495	0.1
129.07022	0.1
130.04204	0.1
131.04945	0.7
132.02092	9.4
133.02934	1.4
133.06548	0.1
134.03630	0.4
135.04431	0.7
141.09160	0.3
143.04958	0.1
143.08578	0.2
145.02910	0.1
145.06532	0.2
146.03633	0.1
147.04474	0.2
149.02344	0.2
149.06062	0.1
151.00264	0.1
155.05052	0.1
155.08600	0.3
156.05742	0.2
157.06561	0.5
158.03668	0.3
159.04427	0.3
159.08081	0.2
161.02419	0.3
161.04443	0.2
161.06003	0.1
163.03964	0.3
167.04967	0.3
168.05695	0.1
169.06526	0.7
170.07283	0.1
171.04448	0.4
171.08084	1.0
173.02292	0.1
173.06026	0.3
173.09697	0.3
174.03122	0.1
175.02403	0.1
175.03969	0.3
175.07471	0.2
177.01891	0.1
180.05771	0.3
181.06487	0.5
182.07388	0.1
183.04425	0.3
183.08102	0.8
184.05179	0.1
185.02374	0.1
185.06065	0.9
186.06729	0.2
187.03975	0.2
187.07625	0.7
189.01912	0.2
189.05415	0.1
189.09171	0.3
195.04510	0.4
195.08058	0.1
196.05312	0.5
197.06038	1.1
198.03252	0.1
198.06839	0.3
199.03987	1.0
199.07703	0.7
200.04745	0.7
201.05498	0.4
201.09084	0.2
202.02773	0.1
203.03468	0.3
203.07018	0.1
206.07416	0.1
208.05287	0.3
209.06026	0.7
210.06699	0.2
211.03979	0.4
211.07599	0.7
212.04735	0.4
212.08220	0.2
213.01981	0.1
213.05542	1.0
213.09123	0.1
214.02579	0.2
214.06300	0.8
215.03545	0.5
215.07083	1.1
216.07724	0.2
217.08661	2.2
218.09077	0.1
219.08107	0.2
220.08893	0.2
221.06058	0.2
222.06670	0.1
223.03993	0.3
223.07677	0.3
224.04637	0.2
224.08122	0.2
225.01711	0.1
225.05548	1.0
226.02715	0.4
226.06302	0.8
227.03616	1.0
227.07129	1.8
228.04222	0.3
228.07664	0.2
229.05070	0.5
230.07382	0.2
231.06523	0.2
233.06174	0.1
233.09804	0.5
235.07637	0.3
236.04686	0.2
236.08411	0.1
237.05565	0.5
238.06334	0.3
239.03537	0.2
239.07220	1.0
240.04280	0.5
240.07814	0.1
241.05045	1.3
241.08720	0.3
242.05771	0.3
243.06528	0.6
244.07307	0.3
244.09308	0.2
245.06018	0.1
245.07968	2.2
245.10329	0.1
246.06737	0.1
246.10503	0.3
247.07643	0.2
247.11296	0.4
248.04878	0.1
248.08646	0.2
249.05591	0.5
249.09262	0.3
250.06372	0.2
251.03468	0.3
251.07187	0.3
252.04286	0.3
253.05116	0.6
254.05890	0.7
255.06633	3.6
256.07336	1.7
257.04489	0.2
257.07733	0.2
257.10135	0.2
259.07654	0.3
259.11356	1.2
260.08600	0.5
260.11957	0.4
261.05310	0.2
261.09686	0.9
261.12704	0.5
262.06396	0.3
263.07156	0.7
263.10681	0.2
264.07758	0.2
265.05090	0.4
265.08847	0.2
266.05878	0.7
267.06647	2.3
268.04047	0.2
268.07355	0.9
269.04477	0.1
270.05374	1.0
271.05984	0.8
271.11053	0.1
272.00638	0.1
272.08710	0.2
273.09204	0.7
273.12369	0.1
274.06473	0.4
274.09906	0.2
275.07193	0.9
275.10806	1.5
276.07867	0.3
276.11404	0.2
277.05118	0.5
277.08759	0.7
277.12354	0.3
278.05920	0.2
279.03424	0.2
279.06628	0.4
279.10190	0.1
280.03732	0.2
281.04553	0.3
285.07391	0.5
286.08157	0.7
287.07214	0.5
287.10822	1.1
288.07910	0.7
288.11075	0.2
289.05405	0.2
289.08746	2.1
289.12354	0.4
290.05862	0.4
290.09393	0.7
290.13113	0.4
291.03555	0.1
291.06677	0.5
291.10284	0.9
291.13687	0.2
292.03839	0.3
292.10934	0.3
293.04602	0.5
293.07983	0.2
293.11597	0.1
294.05310	0.2
298.10141	0.1
299.10757	0.2
300.08060	0.1
301.08762	1.0
302.09366	0.5
303.06934	0.1
303.10284	2.8
304.04025	0.2
304.07422	0.4
304.11038	1.3
305.04572	1.2
305.08234	1.3
305.11841	1.4
306.05475	0.5
306.08890	0.2
306.12485	0.3
307.06210	1.4
307.09595	0.1
307.13449	0.3
308.06754	0.2
313.08719	0.4
314.09451	0.3
315.06699	0.5
315.10321	1.5
316.07303	0.4
316.11026	0.9
317.04510	0.5
317.08167	0.9
317.11801	1.0
318.05322	0.9
318.08896	0.3
318.12082	0.1
319.06134	0.9
319.09787	2.7
320.06943	0.1
320.10498	0.7
321.07907	0.2
321.11353	0.4
322.12054	0.2
328.07645	0.1
329.08356	0.7
330.05377	0.2
330.08954	1.2
331.06104	0.3
331.09763	3.4
332.06870	0.6
332.10486	1.0
333.07742	3.2
333.11404	0.6
334.08292	0.9
334.12167	2.3
335.05685	0.1
335.09305	0.2
335.12872	2.8
336.13315	0.2
336.92325	0.1
337.07199	0.2
341.08286	0.3
341.13956	0.2
342.09030	0.6
343.09720	1.2
344.10220	0.2
345.07767	0.9
346.08456	0.6
347.09280	6.2
348.10052	13.5
349.10709	4.5
350.11578	2.3
351.12338	0.9
352.12930	0.1
358.08585	0.2
359.09305	3.4
360.10080	16.5
361.10748	6.4
362.11450	0.8
363.08734	0.4
364.09344	0.1
376.09518	0.2
377.10370	1.1
378.11148	32.0
379.11896	100.0
380.12253	11.8
389.08722	0.1
390.09521	0.2
393.05963	0.2
393.13400	0.2
394.06952	0.1
403.11801	0.3
421.12997	0.6
433.11893	0.2
453.32547	0.2
495.16733	0.1
497.17999	0.3
497.31046	0.1
511.16229	1.1
512.16583	0.2
513.17755	0.8
514.18134	0.1
523.16211	2.9
524.16309	0.4
539.15582	0.3
541.17224	85.4
542.17572	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	540.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10397	0.2
50.97962	0.2
57.03339	0.4
59.01268	3.1
61.98717	100.0
63.20796	0.2
64.44100	0.2
69.22764	1.5
69.23173	0.4
71.01271	1.4
72.99223	0.3
73.02830	1.0
75.00791	0.2
81.05721	0.2
83.01311	0.3
85.02855	0.8
87.00778	0.6
89.02339	0.7
93.03385	0.3
95.01294	0.3
97.06503	0.4
98.20592	0.4
99.00809	0.2
99.04416	0.3
101.02351	0.8
107.04964	0.3
108.02070	0.3
109.02853	0.5
109.06543	0.5
111.04424	0.3
113.02358	0.6
113.06043	0.2
119.03400	0.2
119.04925	1.8
121.02880	0.3
123.04420	0.3
123.08098	0.2
125.02371	1.0
134.03639	0.2
135.04436	1.6
136.04939	0.3
137.02385	0.6
138.06961	0.2
145.64020	0.2
147.04445	0.3
149.02397	0.2
151.00334	0.5
151.04002	0.2
151.07614	0.8
157.05058	0.3
160.64079	0.2
161.02446	0.2
161.04533	0.3
163.03996	0.5
165.05461	0.4
173.29778	0.2
179.03412	0.3
179.05688	0.2
189.33574	0.2
193.05017	0.2
194.05923	0.2
194.09093	0.2
209.08154	0.3
212.13710	0.2
234.11430	1.7
289.80597	0.2
315.12592	0.5
315.34998	0.2
316.12903	1.1
316.16040	0.2
317.13144	0.6
318.13333	0.6
327.96457	0.2
337.20294	0.3
454.31058	0.2
479.31064	0.2
496.30258	0.3
497.31769	1.1
505.22742	0.3
539.34259	0.4
540.21228	0.6
540.35291	0.4
541.19458	0.6
541.30475	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	539.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.5
58.00455	2.2
59.01265	90.6
60.01577	3.2
60.95771	1.7
61.98719	40.1
68.79828	1.8
69.46600	2.1
69.47031	1.9
71.00901	2.6
71.01273	44.9
71.04922	2.3
71.54388	1.6
71.54784	2.1
72.99191	6.7
73.02840	15.6
75.00758	2.1
78.41814	1.8
81.03326	3.6
83.01257	9.4
83.04902	5.6
85.02848	15.0
87.00778	13.8
87.04420	2.4
88.26006	1.8
89.01827	3.2
89.02342	49.8
93.03352	4.6
95.01265	3.0
96.96813	1.7
97.06493	4.2
99.00771	13.8
99.04419	3.4
99.92477	3.0
101.02345	42.6
108.02053	4.6
109.02850	4.3
109.06490	2.5
111.00751	2.5
111.04420	3.3
111.08062	2.2
113.02361	16.0
116.92017	2.8
116.92771	36.4
117.01879	3.3
119.03410	6.8
119.04915	8.2
121.02833	5.3
122.03637	4.8
123.04397	3.9
125.02412	10.1
125.09634	2.0
131.03412	10.3
135.04410	4.9
137.02327	7.9
137.06067	2.1
143.03395	2.8
145.02844	2.5
147.04440	2.8
148.05215	2.0
149.02475	3.5
149.04503	51.4
150.03166	1.8
150.04750	2.9
151.00279	4.8
151.03937	2.6
151.07475	2.9
152.01094	4.2
153.09117	4.3
157.08603	2.4
161.04448	9.1
163.11224	2.3
164.98685	2.0
165.05365	2.3
175.03946	2.2
179.05449	2.4
183.13829	3.7
191.05663	10.6
211.13371	28.4
221.06618	6.6
241.05479	2.1
245.08151	4.3
251.07686	8.5
271.06168	2.9
293.08966	3.0
311.09848	7.7
377.28903	2.1
432.23526	5.1
467.33676	8.0
479.25513	4.4
479.31982	11.5
495.29453	8.5
539.22406	100.0
539.34375	16.8
540.22784	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	537.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.4
57.03339	8.8
58.00475	4.4
59.01264	83.5
60.99192	9.3
61.98722	10.3
63.28045	1.6
69.03345	2.5
69.33781	12.5
71.01267	66.7
71.04885	2.5
72.99217	8.3
73.02827	21.8
75.00754	6.7
78.58934	1.9
81.03342	2.0
83.01276	12.8
83.04920	4.2
85.02836	28.1
87.00764	4.9
88.98701	56.9
89.02336	67.4
93.03346	1.7
95.01266	5.9
96.95871	1.9
97.02882	2.7
97.06487	6.5
99.00780	22.5
99.04366	1.7
101.01709	3.0
101.02348	48.9
101.03015	2.9
101.06008	1.7
106.80220	1.7
108.02064	4.0
108.02806	1.5
109.02845	4.3
109.06493	4.4
111.00791	5.0
111.04413	1.7
113.02351	26.3
116.92741	2.1
117.05471	4.2
119.03432	11.2
121.02853	3.2
123.00845	2.0
123.04476	2.5
125.02358	13.0
127.03889	2.4
131.03426	8.7
133.02826	2.2
135.04465	2.9
136.01555	1.6
137.02364	6.8
139.89467	1.5
143.03427	4.3
145.08673	1.8
149.02478	1.7
149.04492	47.3
150.03162	2.4
150.04753	1.9
151.00336	8.4
151.03908	5.1
152.01060	3.2
153.01843	2.7
157.12286	2.3
160.03970	3.9
161.04477	14.2
163.03986	1.8
163.06021	5.3
165.01840	2.1
167.03470	2.4
169.01355	2.5
177.05553	1.8
179.05540	3.7
190.02774	2.2
191.05585	10.1
195.06563	4.8
205.04964	3.9
209.11798	1.9
213.07593	9.6
221.06644	4.7
223.06076	4.5
233.06656	10.1
251.07751	3.7
259.19113	3.2
293.08755	7.7
311.09787	5.2
331.17743	2.5
375.27670	12.4
389.25638	2.4
391.23428	4.2
421.24371	5.1
440.14694	1.9
477.23401	12.3
477.30066	3.1
483.84711	1.6
519.31830	3.5
537.13831	9.6
537.21252	38.3
537.32764	100.0
538.22235	7.3
538.33392	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	537.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03333	2.6
58.00489	0.5
59.01263	18.6
60.99204	0.4
61.98714	2.1
67.01759	0.9
67.26850	0.5
68.99693	0.8
69.03325	0.6
71.01268	16.0
71.51853	0.4
72.01592	0.4
72.99196	4.2
73.02821	2.2
75.00763	13.5
81.03346	0.7
83.01283	1.6
83.04911	1.0
85.02841	14.1
87.00774	4.4
89.02327	9.5
90.02722	0.4
91.01792	0.7
93.03357	6.6
95.01283	3.3
97.02864	0.5
97.06493	0.5
99.00776	7.9
99.04404	0.5
99.08086	1.3
101.02335	4.2
103.00273	1.1
108.02094	1.5
109.02879	2.8
111.00801	1.0
111.04414	0.9
111.32893	0.4
113.02354	14.8
115.00278	1.4
117.01850	1.5
119.03431	0.6
119.04955	0.7
121.02902	0.8
123.04453	0.9
124.01567	0.4
125.02341	4.2
129.01871	1.0
129.09161	0.5
131.03435	1.7
133.13057	0.4
135.00816	0.6
135.04433	1.3
137.02393	4.6
139.00264	0.5
141.12782	1.4
146.03720	0.4
149.04520	5.4
149.05753	0.7
151.00381	0.6
151.03975	1.0
152.01074	1.5
153.01840	0.6
156.77412	0.5
157.01340	0.6
161.02420	0.5
161.04549	0.7
164.04755	0.5
167.03514	0.4
169.06563	0.6
175.02448	1.8
175.03868	0.5
177.01906	0.6
179.07076	0.4
191.05554	0.7
202.00946	0.6
206.99821	28.3
208.00183	1.6
213.05582	3.2
231.04988	0.7
233.06641	0.7
241.21710	0.8
243.06612	5.6
249.00987	0.8
249.06189	9.1
267.07239	1.3
267.19864	0.5
269.21313	1.4
285.20850	1.1
287.22336	58.6
288.22656	5.7
293.08862	12.5
294.08978	0.9
299.83084	0.5
329.06522	16.5
330.06918	2.0
331.11874	0.8
332.12308	0.8
333.12616	1.1
339.12466	1.9
465.32349	1.4
477.30563	0.5
493.28162	0.7
501.17215	0.8
519.28204	1.5
537.07532	4.4
537.29236	100.0
538.07172	0.7
538.29596	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	537.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16402	0.7
57.03336	0.7
59.01262	7.2
71.01263	3.9
72.99183	1.8
73.02859	0.7
75.00762	28.9
78.50719	0.6
82.38968	0.6
83.01281	1.0
85.02850	4.0
87.00780	5.2
89.02321	3.7
91.54162	0.7
94.86241	0.6
98.19815	1.2
99.00776	2.5
101.02372	1.9
105.01833	1.9
111.00787	1.6
113.02375	1.2
119.04934	1.0
129.01866	10.7
141.01891	2.0
144.27725	0.8
147.02901	1.0
159.02913	6.3
165.04016	1.5
177.03987	2.1
193.07178	1.5
195.05072	100.0
196.05438	3.8
209.06631	1.8
273.04001	0.7
274.80215	0.7
365.76517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.3
58.00454	3.8
59.01262	100.0
61.98709	25.1
65.03828	3.9
69.63699	4.0
70.94028	3.7
71.01270	56.6
71.51765	4.7
71.52139	4.3
72.49519	3.5
72.99207	7.5
73.02834	15.4
73.58624	3.3
83.01289	8.4
85.02849	16.6
87.00784	8.3
87.04369	3.8
89.02319	24.6
91.01781	10.8
94.32684	3.9
95.01330	4.2
99.00743	5.5
101.02339	24.7
108.02075	7.3
109.02874	27.7
113.02341	15.3
119.03413	5.2
121.02859	7.8
121.43538	4.1
123.04472	4.8
125.02351	11.5
135.00804	25.1
137.02394	7.4
151.00330	7.2
152.01086	8.2
153.01874	84.3
154.02226	7.3
161.04495	11.3
163.04010	4.3
163.05984	7.2
167.03412	5.8
260.13058	6.9
315.15625	4.4
333.26389	8.2
375.27621	5.2
421.20892	4.1
469.23068	4.4
477.30878	33.4
495.31870	7.5
536.31458	5.7
537.18848	13.3
537.33173	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1629
Annotation	Alboside IV
Peak:m/z	Relative Intensity
54.92432	0.3
55.01770	1.1
57.03334	4.7
58.00474	0.5
59.01264	17.8
61.98729	2.7
65.00218	0.4
65.03857	2.3
67.01774	0.7
68.99705	0.6
69.03339	0.8
70.86163	0.7
70.86490	0.4
71.01268	15.2
71.04910	2.6
72.99197	1.5
73.02835	4.5
73.06510	0.4
75.00757	1.0
78.95801	1.6
81.03355	0.9
83.01279	4.1
83.04913	9.2
85.02840	37.1
85.06518	0.6
86.03161	0.6
87.00774	1.7
87.04420	1.3
88.98696	1.3
89.02340	8.1
93.03345	1.1
95.01276	1.4
95.04939	0.5
96.96861	1.1
97.02874	0.9
97.06490	2.2
99.00784	1.3
99.04434	1.3
101.02347	9.3
101.05987	10.4
102.06298	0.4
103.03900	1.2
108.02084	1.1
108.87807	0.4
109.02869	3.1
109.06500	2.1
111.00793	1.1
113.02353	5.4
113.06010	0.6
115.03896	0.3
115.07539	1.0
119.03416	3.3
119.04951	0.8
121.02842	0.6
121.06506	2.2
123.04415	0.9
125.02368	3.1
125.06015	0.8
127.03936	18.3
127.07568	2.4
128.04297	0.6
129.01866	1.8
131.03418	0.9
133.06514	2.6
135.04433	2.0
137.02347	1.7
137.05977	0.5
138.03131	1.1
143.03421	0.8
143.10632	0.4
145.02887	0.4
145.08647	11.9
147.04469	0.5
148.01642	0.4
149.02374	1.5
149.04472	2.0
149.05992	0.4
150.03130	1.7
151.00299	0.8
151.03902	1.3
151.07616	1.5
152.01114	0.9
152.03516	0.9
152.04733	1.4
153.01895	1.3
153.05528	1.3
159.04480	0.5
161.02446	2.4
161.04538	2.0
162.03165	2.0
163.03954	1.0
163.06046	0.5
164.04756	1.1
165.05528	2.8
167.03450	1.0
169.05032	0.5
171.06593	1.9
174.01756	0.5
177.05533	7.9
179.05600	1.2
179.07095	0.4
181.04935	0.6
182.05832	0.6
183.02940	0.7
187.13356	0.6
191.05618	0.7
193.01469	0.6
193.04961	0.6
194.20013	0.4
194.99226	0.6
195.02980	0.8
195.06610	25.8
196.06940	1.5
197.83327	0.4
208.03764	0.5
213.07678	100.0
214.07999	4.2
223.06056	0.9
245.17570	0.5
259.19101	0.4
265.07275	1.0
305.20056	0.4
312.10147	0.8
315.07437	0.7
321.02716	0.8
327.12375	0.8
331.11758	0.5
332.12311	0.5
341.06476	0.5
343.07913	0.4
349.18738	0.5
357.13577	0.4
357.26505	0.4
359.07730	1.4
367.05664	0.4
375.14764	0.7
375.27472	3.3
420.93906	0.4
421.25378	0.4
477.23563	1.4
495.31281	0.4
519.31995	0.6
537.16174	71.5
537.33093	26.5
538.16510	9.8
538.33124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92432	0.3
55.01770	1.1
57.03334	4.7
58.00474	0.5
59.01264	17.8
61.98729	2.7
65.00218	0.4
65.03857	2.3
67.01774	0.7
68.99705	0.6
69.03339	0.8
70.86163	0.7
70.86490	0.4
71.01268	15.2
71.04910	2.6
72.99197	1.5
73.02835	4.5
73.06510	0.4
75.00757	1.0
78.95801	1.6
81.03355	0.9
83.01279	4.1
83.04913	9.2
85.02840	37.1
85.06518	0.6
86.03161	0.6
87.00774	1.7
87.04420	1.3
88.98696	1.3
89.02340	8.1
93.03345	1.1
95.01276	1.4
95.04939	0.5
96.96861	1.1
97.02874	0.9
97.06490	2.2
99.00784	1.3
99.04434	1.3
101.02347	9.3
101.05987	10.4
102.06298	0.4
103.03900	1.2
108.02084	1.1
108.87807	0.4
109.02869	3.1
109.06500	2.1
111.00793	1.1
113.02353	5.4
113.06010	0.6
115.03896	0.3
115.07539	1.0
119.03416	3.3
119.04951	0.8
121.02842	0.6
121.06506	2.2
123.04415	0.9
125.02368	3.1
125.06015	0.8
127.03936	18.3
127.07568	2.4
128.04297	0.6
129.01866	1.8
131.03418	0.9
133.06514	2.6
135.04433	2.0
137.02347	1.7
137.05977	0.5
138.03131	1.1
143.03421	0.8
143.10632	0.4
145.02887	0.4
145.08647	11.9
147.04469	0.5
148.01642	0.4
149.02374	1.5
149.04472	2.0
149.05992	0.4
150.03130	1.7
151.00299	0.8
151.03902	1.3
151.07616	1.5
152.01114	0.9
152.03516	0.9
152.04733	1.4
153.01895	1.3
153.05528	1.3
159.04480	0.5
161.02446	2.4
161.04538	2.0
162.03165	2.0
163.03954	1.0
163.06046	0.5
164.04756	1.1
165.05528	2.8
167.03450	1.0
169.05032	0.5
171.06593	1.9
174.01756	0.5
177.05533	7.9
179.05600	1.2
179.07095	0.4
181.04935	0.6
182.05832	0.6
183.02940	0.7
187.13356	0.6
191.05618	0.7
193.01469	0.6
193.04961	0.6
194.20013	0.4
194.99226	0.6
195.02980	0.8
195.06610	25.8
196.06940	1.5
197.83327	0.4
208.03764	0.5
213.07678	100.0
214.07999	4.2
223.06056	0.9
245.17570	0.5
259.19101	0.4
265.07275	1.0
305.20056	0.4
312.10147	0.8
315.07437	0.7
321.02716	0.8
327.12375	0.8
331.11758	0.5
332.12311	0.5
341.06476	0.5
343.07913	0.4
349.18738	0.5
357.13577	0.4
357.26505	0.4
359.07730	1.4
367.05664	0.4
375.14764	0.7
375.27472	3.3
420.93906	0.4
421.25378	0.4
477.23563	1.4
495.31281	0.4
519.31995	0.6
537.16174	71.5
537.33093	26.5
538.16510	9.8
538.33124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50303	5.3
59.01260	100.0
61.98708	42.1
66.40730	5.7
71.44054	7.3
71.44389	5.6
80.84599	5.8
100.07150	7.9
263.20236	8.2
535.32245	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	535.2347
Annotation	Cowagarcinone E
Peak:m/z	Relative Intensity
56.04483	0.7
59.01261	12.4
60.01596	0.7
60.86795	0.6
61.98705	2.9
65.07055	0.6
67.31629	0.7
71.51878	0.8
74.44685	0.6
78.95791	4.8
83.25462	0.8
96.95889	1.1
106.54910	0.7
119.62017	0.6
128.90312	0.6
135.04407	0.7
148.01595	1.5
152.99586	2.4
170.06718	0.7
175.04066	0.7
177.01897	1.1
209.75069	0.7
227.03487	1.0
239.07159	0.7
239.20197	5.5
241.05093	1.3
253.09264	0.8
255.06390	0.7
261.02255	0.8
267.06854	1.0
268.04147	0.8
283.06088	2.8
293.04486	0.9
310.04819	3.6
311.05710	13.1
312.06100	1.9
322.04810	2.4
322.08362	1.3
323.05591	2.3
325.07263	6.5
326.07834	2.5
337.07202	4.3
337.10541	0.8
345.84503	0.9
350.08014	3.6
351.08780	5.5
358.06903	5.7
363.08838	1.2
365.10327	4.4
366.11017	1.0
375.08688	1.2
381.09952	2.7
391.11487	1.1
405.13165	1.3
421.13177	1.6
428.11066	1.8
435.14447	1.1
449.16510	1.5
450.16895	4.2
465.19373	5.5
477.28690	0.9
517.22552	1.6
520.21191	2.4
535.23462	100.0
536.23865	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	535.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.3
59.01265	3.4
61.98700	0.8
63.81242	0.3
66.95510	0.2
70.71398	0.8
71.01277	1.7
73.02853	0.4
75.00758	0.4
85.02850	0.8
87.00768	0.3
89.02344	1.1
99.00800	0.3
101.02348	1.1
109.02854	0.4
113.02350	0.9
119.03426	0.5
121.02869	0.5
123.00808	0.4
124.26167	0.3
125.02391	0.5
131.04924	0.3
133.02892	0.8
135.04430	1.1
137.02286	0.3
141.93649	0.3
145.63512	0.3
147.04445	0.5
148.01582	3.0
148.48178	0.3
149.02341	0.9
149.05971	0.3
150.03172	0.6
151.03923	0.5
152.95361	0.3
159.04497	0.3
161.02374	0.4
161.04462	0.3
163.03949	0.4
175.03981	1.0
177.01921	0.4
182.43634	0.3
187.03946	0.6
191.03510	0.8
193.01347	0.3
193.05008	0.3
200.04688	0.3
202.02661	0.8
203.03439	0.8
204.04080	0.5
205.05016	0.8
211.07600	0.3
214.02750	0.5
215.03464	0.8
216.04172	0.5
221.04558	0.4
223.07692	0.6
225.05533	0.6
228.04297	0.4
239.07127	1.0
240.07970	0.9
241.05090	0.5
249.05728	0.3
251.07179	1.1
253.05127	0.8
254.05704	0.3
255.06635	1.0
265.05231	0.4
267.06766	1.7
268.07385	1.0
269.04642	0.7
269.08200	0.5
279.06732	2.1
280.07379	1.0
281.04523	1.0
283.06238	2.6
284.06854	0.9
291.06659	0.5
293.04678	0.6
294.05261	0.4
295.06125	2.8
296.07001	1.4
297.04117	1.1
297.07608	0.5
307.06125	1.5
309.04123	0.8
310.04828	0.3
311.05582	3.1
312.06451	20.4
313.06940	3.5
323.05618	5.2
323.09415	0.4
324.06448	20.6
325.07098	3.8
326.07751	0.4
327.08698	0.3
331.11899	0.6
335.05630	1.2
336.06473	8.3
337.07178	1.8
338.07275	0.4
341.06757	2.3
342.07501	17.1
343.07947	2.3
345.09760	0.3
353.06671	0.6
354.07504	23.5
355.08093	4.9
356.08746	0.4
372.08563	71.4
373.09064	12.0
373.12863	0.2
374.09756	0.3
429.05649	0.3
494.31030	0.3
517.13019	0.7
535.14667	100.0
536.15021	13.0
536.23303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22660	0.3
57.03326	1.5
58.02882	0.5
58.27693	0.3
59.01265	9.6
61.98717	9.2
64.52975	0.3
69.43813	2.7
71.01272	5.4
72.99201	1.2
73.02828	1.7
75.00756	1.7
77.36076	0.3
77.48508	0.3
83.01260	1.6
85.02856	1.8
87.00758	1.1
89.02340	3.3
91.01810	0.4
93.03364	0.5
95.01259	0.3
95.04956	0.3
99.00774	0.9
99.04404	1.0
101.02351	4.6
102.01865	0.7
103.00286	0.5
103.03937	0.5
108.99369	0.4
109.02858	0.7
113.02348	2.5
117.03310	0.4
119.03395	1.3
119.04938	0.8
121.02882	0.4
123.04441	1.2
124.01583	0.5
125.02375	4.5
128.34032	0.4
131.03430	0.5
132.02109	0.4
133.02867	2.3
134.03674	0.4
135.02873	0.4
135.04456	0.7
137.02362	1.1
149.02367	1.3
149.04521	0.5
151.00330	0.5
151.03938	0.6
152.01080	0.4
153.01903	0.3
159.04491	0.9
161.02414	2.8
161.04514	1.2
163.04004	0.5
166.02608	0.4
167.03407	0.6
177.01894	0.5
179.03412	0.4
179.05583	0.7
181.04974	0.3
195.08150	0.5
205.05122	0.4
207.08180	0.5
209.06197	0.5
219.06725	0.5
227.03648	0.4
238.06377	0.4
238.39348	0.3
239.07164	0.6
251.07205	0.8
253.05179	0.4
254.05841	0.5
266.05957	0.5
267.06772	0.9
280.07355	0.4
281.04581	0.8
282.05365	2.5
283.06180	14.6
284.06546	1.5
287.05591	1.1
294.05392	1.3
295.06186	30.5
296.06448	2.6
297.07693	1.0
309.07632	0.4
311.05679	1.2
312.06509	4.1
313.07248	100.0
314.07578	9.7
323.05640	0.5
324.06613	0.5
325.07123	0.4
327.08960	0.7
336.06577	0.4
337.07062	0.4
342.07681	0.6
343.11996	0.8
354.07431	0.7
355.08087	2.4
355.11990	0.5
372.08554	1.4
373.08795	0.5
373.13000	1.2
373.26157	0.8
385.08511	0.7
399.12946	0.8
445.11240	0.4
445.24579	1.3
475.12537	4.7
476.12381	0.6
491.12054	1.4
535.14172	9.9
535.22748	1.6
535.31348	5.1
536.14783	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	535.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42134	0.2
57.03337	15.5
59.01266	8.2
59.57388	0.3
60.01579	0.4
61.98719	2.1
69.03352	0.4
71.01269	3.9
71.52153	0.5
72.99186	0.6
73.02827	1.8
75.00756	0.5
81.03357	1.7
83.01279	7.1
85.02841	1.5
87.00780	0.5
87.04427	0.3
88.51990	0.3
89.02324	2.8
93.03358	0.5
95.01278	0.5
101.02361	2.5
108.02083	0.5
109.02866	1.5
113.02348	1.5
119.03420	1.3
119.04943	0.3
121.02863	0.7
123.00805	0.3
123.04408	0.6
124.01588	0.6
125.02367	100.0
126.02711	3.3
133.02847	1.0
135.04436	1.2
137.02342	1.0
141.09134	0.3
147.04430	0.3
148.01648	0.3
149.02347	0.6
151.00317	0.7
151.03955	0.5
152.01082	0.8
153.01868	0.3
159.04462	0.4
159.34338	0.3
161.02391	12.9
161.04520	0.7
162.02902	0.6
163.00359	0.3
163.03917	0.4
165.01898	0.6
174.69804	0.3
175.03934	0.5
176.04384	0.2
177.01927	0.8
179.05612	0.4
179.07060	0.4
193.05011	0.4
201.05699	0.4
216.04010	0.3
227.07256	0.6
235.06311	0.3
269.04642	0.5
287.05707	2.4
295.06219	0.3
305.11505	0.3
312.06482	1.2
324.06369	0.8
325.07138	0.4
336.06558	0.5
337.07132	0.6
341.06793	0.3
342.07434	0.4
343.08127	0.4
354.07504	0.7
355.08337	0.7
372.08456	1.9
373.09094	3.8
373.26031	1.1
386.79800	0.3
491.12067	21.3
492.12451	2.1
535.14429	8.0
535.31458	5.4
536.15308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	0.3
57.03337	12.4
59.01264	8.1
59.01542	0.6
59.16480	0.3
61.98715	3.2
71.01269	5.1
72.99200	1.0
73.02834	1.7
74.15285	0.3
75.00786	1.0
81.03356	2.2
83.01277	7.7
83.04925	0.6
85.02850	1.8
87.00791	0.9
87.04408	0.4
87.15564	0.3
89.02348	3.9
93.03355	8.4
93.03919	0.5
95.01309	0.4
95.04919	0.7
96.95945	0.5
97.02856	1.6
97.21682	0.3
99.00793	0.8
101.02347	3.9
103.03913	0.5
107.01289	0.6
108.02100	0.8
109.02866	2.6
111.00816	0.3
111.04465	0.6
111.08074	0.3
111.57629	0.3
113.02349	1.7
114.01891	0.4
119.03400	1.1
119.04931	0.6
121.02872	6.8
123.00791	0.5
123.04441	1.8
124.01592	0.9
125.02363	100.0
126.02708	3.2
133.02888	6.3
135.02876	0.5
135.04436	1.3
136.01613	0.5
137.02370	12.6
139.03949	3.7
141.09166	0.4
143.03397	0.7
147.04437	0.9
149.02374	6.8
149.04497	0.8
149.55545	0.3
150.03041	0.5
151.00356	0.8
151.03952	0.6
152.01106	0.5
153.01842	0.4
159.04437	0.7
160.05226	0.4
161.02385	61.3
162.02725	2.8
163.00285	0.5
163.03911	0.8
163.06073	0.9
164.04707	0.9
165.01906	1.7
165.05527	0.3
167.03461	2.8
175.03911	0.4
175.07617	0.5
177.01901	1.7
177.05562	0.6
178.02177	0.4
179.03435	0.7
179.05580	0.4
182.35216	0.3
191.03358	0.7
193.01343	0.4
193.05046	0.5
201.05383	0.4
205.05055	0.4
207.02841	0.5
223.06076	0.4
241.05037	0.4
269.04526	1.1
270.05209	0.5
281.04355	0.4
283.05978	0.5
283.09653	0.8
285.04147	0.9
287.05679	20.6
288.06094	1.6
298.04913	0.5
299.05603	0.7
309.03870	0.4
311.05695	2.5
315.07520	0.5
324.06235	0.4
325.07013	0.9
329.06628	5.5
329.13965	1.5
330.07114	0.5
331.11865	0.6
339.05106	1.7
340.05603	0.5
353.06836	1.7
354.07498	1.8
355.07736	1.2
355.11993	0.8
372.08228	1.0
373.08835	0.6
373.12888	0.9
384.08124	0.5
385.08246	0.6
413.06232	0.4
413.11041	5.4
414.11267	0.4
449.10831	1.0
473.11166	0.4
491.12006	21.6
492.12354	3.0
517.13568	2.6
518.13995	0.5
535.14166	14.0
535.32019	1.6
536.14178	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3861
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01265	100.0
60.01596	1.3
61.98710	1.5
69.17123	0.4
70.41065	0.3
78.95777	1.7
91.81107	0.3
95.13462	0.3
98.20557	1.0
152.99544	0.5
166.42914	0.3
187.07550	0.3
193.05368	0.4
217.00337	0.4
224.07004	0.5
229.59836	0.5
255.23396	3.5
256.23706	3.7
257.24066	0.4
314.40723	0.4
441.30780	0.5
444.95935	0.3
451.20370	0.8
452.28210	1.2
455.35623	0.9
471.35214	0.5
473.36526	14.4
474.36896	2.6
481.13870	0.4
481.31714	2.5
533.14227	0.6
533.22083	1.6
533.30438	0.4
533.39148	3.6
534.22278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.6
55.19814	0.7
57.03337	98.9
58.00479	2.0
58.03679	1.8
59.01265	92.6
60.01603	1.0
61.98722	5.9
65.00177	0.7
69.03345	1.8
70.02882	0.9
71.01270	44.2
71.54440	1.2
72.99181	4.4
73.02835	32.8
74.03182	0.7
75.00760	3.2
79.05428	1.4
81.03331	3.9
83.01269	12.3
83.01720	1.1
83.04920	1.5
85.02839	7.5
87.00775	4.5
89.02339	25.4
91.05432	1.3
93.03368	1.6
95.01295	2.6
95.04934	1.3
97.02849	1.6
97.06506	1.6
99.00780	2.2
99.04419	100.0
100.04769	3.2
101.02347	67.3
102.02686	1.2
103.03928	1.3
107.01338	0.7
108.02052	1.3
109.02869	5.0
109.06487	1.5
111.08055	1.7
113.02352	21.2
113.06010	2.2
114.01888	6.1
114.02639	1.3
115.00282	1.5
116.92764	0.8
117.03367	2.0
117.05531	0.7
119.03417	10.3
119.04922	3.6
121.02861	2.8
123.04435	15.4
123.08093	1.2
125.02370	41.2
125.06052	0.9
126.02717	1.9
127.00319	1.1
131.03470	3.3
132.92834	0.9
133.02826	0.7
134.06061	1.1
135.04454	13.7
136.01659	0.8
137.02377	2.2
137.06023	0.9
138.05547	1.1
139.03960	1.0
141.05501	3.2
143.03435	9.0
145.02834	3.4
147.04420	1.8
147.08023	0.8
149.02354	1.6
149.04491	7.4
149.05872	1.3
152.00954	0.8
153.01810	0.8
153.05513	2.7
153.08014	1.2
153.09158	17.0
155.03517	0.9
160.03967	2.6
161.02359	2.1
161.04507	16.1
163.00290	0.7
163.03914	1.7
164.04703	1.0
165.01790	1.1
165.05402	0.9
165.09160	1.0
173.05936	0.9
175.02469	1.5
175.03915	1.6
176.04625	0.7
177.01888	0.9
179.05617	5.5
179.07025	1.4
189.05591	1.0
191.07153	1.6
191.14241	0.8
192.36101	0.7
203.03418	0.7
203.05469	0.9
209.08185	5.1
209.15427	9.1
216.07779	1.0
217.05023	0.9
219.06485	1.0
221.06601	3.3
231.10291	1.7
232.06169	2.2
234.09091	0.9
248.11647	1.1
249.11351	0.8
253.04965	1.2
261.09821	0.9
268.07330	1.1
269.04514	1.1
281.04666	1.0
282.05252	0.9
283.06018	2.3
284.06647	1.4
285.04010	1.7
285.07095	1.6
295.06323	1.7
296.06812	2.3
297.07791	5.2
298.08243	1.9
307.06033	0.8
311.05646	2.4
311.09296	4.6
312.06058	2.3
313.06235	2.4
313.10834	4.0
323.05490	0.9
325.06943	1.5
327.08743	1.5
337.07111	1.0
338.11649	1.5
339.08578	1.0
343.07193	0.8
353.06845	4.8
353.14026	10.1
354.07047	0.8
354.14172	1.7
355.08130	2.3
369.09799	1.2
370.10303	1.4
371.11142	5.0
371.15033	7.8
371.20605	3.9
371.24564	0.9
372.15439	1.4
383.07498	4.1
389.21823	11.6
390.22418	1.1
413.12982	0.9
431.22919	10.1
443.09619	1.8
446.08072	1.6
447.08478	5.8
461.10678	1.2
471.25864	2.9
473.23688	1.0
489.26822	2.9
515.14233	0.9
515.36475	0.7
533.12299	13.0
533.25958	51.9
534.13251	2.1
534.20685	0.6
534.26447	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	533.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	75.2
58.00459	1.3
58.03680	1.1
59.01264	100.0
60.01585	1.6
61.98714	12.0
65.00202	1.0
69.03329	2.0
69.92997	3.3
69.93406	1.5
70.07850	0.7
71.01268	41.6
71.04890	1.3
72.99171	3.6
73.02833	22.3
75.00745	2.4
79.05396	2.3
81.03333	3.2
83.01276	10.6
83.04906	2.1
83.16811	0.7
85.02840	9.5
87.00787	4.1
89.02339	22.5
90.02644	0.9
91.05410	0.9
93.03335	3.8
95.01263	3.0
95.04884	1.6
96.95886	3.3
97.02832	3.8
97.06445	2.8
99.00773	7.6
99.04417	71.5
100.04742	1.8
101.02347	47.3
102.02664	1.2
105.02371	0.8
107.01258	0.8
107.04928	0.8
108.02042	3.2
109.02846	6.2
111.00729	1.2
111.04396	0.8
111.08033	1.9
113.01637	1.3
113.02353	19.5
113.05947	2.6
119.03429	8.2
119.04926	4.6
121.02845	3.6
123.00713	1.2
123.04433	8.7
123.08047	1.0
124.01531	2.8
125.02364	35.1
125.05963	1.8
126.02672	1.3
128.03442	0.9
131.03358	2.9
133.02882	1.9
135.03589	0.9
135.04449	12.9
137.02394	7.1
139.03900	1.4
141.05414	2.3
141.09108	1.8
143.03436	8.2
145.02831	1.6
147.04456	1.1
149.02341	1.4
149.04434	7.1
149.05820	1.9
149.50446	0.8
150.03093	3.0
151.00264	3.3
151.03867	3.2
152.01024	3.3
152.04619	1.0
153.01794	1.5
153.05498	0.8
153.09128	13.0
159.02858	1.0
161.02325	2.7
161.04506	11.6
162.03123	1.1
163.03899	2.5
164.04739	1.0
165.05424	2.0
175.03865	1.4
177.01848	1.8
179.03354	0.8
179.05508	3.5
187.07581	1.2
188.07123	1.1
191.05472	1.0
191.07027	3.6
208.99500	1.3
209.08206	9.3
209.15509	7.7
221.06459	2.2
227.65379	0.9
235.06017	3.0
255.06525	1.9
269.04398	3.0
269.17523	0.9
271.06125	2.0
281.10269	1.5
285.04007	1.3
285.07788	1.1
286.08408	2.6
287.05643	1.3
297.11108	1.4
299.05441	1.0
299.12833	2.7
308.82553	1.0
311.05286	1.0
325.07001	1.1
343.08105	1.1
353.06509	1.1
353.10239	1.5
353.13928	4.5
356.12460	1.2
369.09457	2.5
370.09872	1.7
371.10651	5.6
371.14886	17.6
371.20575	9.7
372.15298	2.3
383.07608	1.6
389.21906	17.0
390.21970	2.0
391.15399	0.9
399.27536	0.9
425.08871	1.2
431.17545	0.9
431.22919	13.3
432.23053	2.2
449.27328	2.3
449.33658	1.0
471.25623	3.5
472.26059	1.0
489.26688	2.1
505.13284	1.7
533.16364	8.5
533.25818	59.3
533.32855	5.8
534.17120	2.1
534.26129	8.1
534.33453	1.1
545.13013	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.8
57.03340	6.6
58.00476	0.7
59.01266	17.1
61.98701	0.7
66.11230	0.5
70.27564	1.7
71.01271	12.9
71.04877	0.6
72.99199	1.4
73.02834	8.7
81.03371	2.8
83.01276	50.2
84.01610	1.5
85.02843	3.5
87.00774	0.8
87.04414	4.8
89.02338	10.5
93.03352	0.4
95.01262	0.7
96.36173	0.4
96.95908	1.1
97.02865	2.4
99.00780	8.3
99.04404	2.4
101.02347	54.9
102.02679	1.0
108.02123	0.5
111.00751	0.5
111.04425	1.0
113.02362	4.4
115.03909	0.7
119.03432	4.1
120.13963	0.5
123.04453	0.5
125.02365	6.1
127.00292	18.5
131.03470	0.7
143.03433	1.7
152.01010	1.0
153.05632	0.5
161.04509	0.7
167.03488	0.7
167.45163	0.4
223.06122	0.9
227.53313	0.5
301.68649	0.4
370.67682	0.5
391.47122	0.4
533.22534	100.0
534.14874	0.8
534.22906	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	533.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14500	0.5
55.01762	3.1
57.03331	4.8
58.00464	1.0
59.01266	21.7
61.98713	1.0
69.03327	0.5
70.80379	1.2
70.80742	0.6
71.01271	17.2
71.04894	0.6
72.99187	1.9
73.02833	11.4
75.00749	0.8
81.03357	1.7
83.01278	52.2
84.01601	0.9
84.02069	0.5
85.02831	5.2
87.00749	1.4
87.04407	5.7
89.02338	13.3
90.31531	0.5
95.01261	0.7
95.09422	0.5
96.95883	2.3
97.02253	0.5
97.02849	2.2
99.00178	0.9
99.00782	12.2
99.04413	1.7
101.02348	47.8
102.02682	0.8
113.02352	4.9
115.03926	1.1
116.05024	0.7
117.05474	0.7
119.03415	4.6
119.04947	0.6
123.08055	0.5
125.02348	3.6
127.00298	27.5
131.03406	0.6
135.04469	0.8
143.03432	0.9
145.01411	1.0
149.04517	1.3
153.01895	0.5
160.03981	15.9
161.04434	1.8
166.04997	0.7
167.03476	0.7
167.10757	0.8
179.03473	2.4
179.05533	1.2
194.05798	1.4
204.02972	0.7
209.08156	2.7
215.49332	0.6
236.85823	0.5
353.06534	0.8
366.08572	0.8
373.34930	0.6
401.14468	0.6
405.21628	1.4
533.22498	100.0
534.15094	0.9
534.22791	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	533.1681
Annotation	Phellatin
Peak:m/z	Relative Intensity
54.12712	0.5
55.01756	1.2
55.10841	0.5
57.03334	13.6
58.16830	0.5
59.01265	16.6
61.98712	4.4
65.03863	0.7
67.01825	0.6
68.99702	0.9
71.01271	11.5
71.04923	1.0
72.99192	1.9
73.02828	4.2
76.77927	0.6
81.03356	2.9
81.06975	0.8
83.01283	7.9
83.04926	1.2
85.02846	6.0
87.00749	3.1
87.04438	0.7
89.02351	6.6
91.05437	2.1
93.03352	1.5
93.07011	2.5
95.01300	1.6
95.04913	4.4
97.02840	1.5
97.06497	2.7
99.00809	2.3
99.04414	2.8
101.02338	7.3
103.03879	0.7
105.07014	0.8
107.04946	1.7
108.02082	2.2
109.02863	10.7
109.06509	0.8
111.00797	1.2
111.08040	3.8
113.02358	5.5
116.92690	0.6
119.03409	2.3
119.04946	1.5
121.02890	4.9
122.03640	0.7
123.00798	0.7
123.04446	1.9
123.08089	8.8
124.01583	10.4
125.02366	51.7
125.05975	2.0
126.02724	1.9
131.08667	0.7
133.02881	3.0
133.06529	0.8
135.04445	26.5
135.08104	7.3
136.04787	0.6
137.02409	3.5
137.06023	3.2
138.03146	0.8
139.03856	0.7
139.07628	0.6
141.09117	4.3
145.02878	0.9
147.04457	2.1
147.08112	2.2
148.01613	0.7
149.02386	2.0
149.06012	2.5
150.03181	2.3
151.00323	0.7
151.03995	2.1
152.01077	1.2
153.01866	1.1
153.05518	0.6
157.06648	0.7
159.03094	0.9
159.04463	1.3
161.02396	13.6
161.04547	2.7
161.05998	1.5
162.03111	1.2
163.00327	1.2
163.03951	2.0
163.07657	0.6
164.04756	1.1
165.01877	1.0
165.09177	0.9
167.07118	3.2
173.06039	1.1
174.03178	0.6
175.02505	1.1
175.03973	2.3
175.07599	1.3
177.01904	2.5
177.05576	1.3
178.06203	0.8
179.05640	1.2
179.07091	27.7
180.07425	1.4
180.84477	0.6
189.05536	1.0
191.03516	0.7
191.07106	6.4
192.07860	2.0
193.08707	2.6
201.05492	0.6
202.06357	0.7
203.07153	1.7
204.07950	1.7
205.05133	0.9
205.08684	3.0
209.08180	70.0
210.08524	2.8
213.05812	0.7
215.03529	1.0
215.07195	1.2
216.07973	0.7
217.05235	1.2
217.08698	2.8
219.06650	3.5
220.07391	1.1
221.08382	1.2
222.08894	3.6
229.08791	1.1
231.10327	0.8
234.08852	2.9
235.09668	0.8
243.06613	0.8
245.08255	5.0
249.07745	0.7
249.11356	3.7
255.06799	0.9
261.03979	1.3
261.07794	1.3
268.03662	0.6
269.04572	3.4
270.05197	1.2
271.06277	1.1
281.10437	1.3
283.06244	1.2
284.03381	1.6
285.04135	1.9
285.07767	1.2
287.05661	0.9
295.06149	1.3
297.04294	1.4
297.07776	1.3
297.11209	1.1
299.05399	0.8
301.10831	0.8
303.12857	0.7
309.11502	0.6
311.05661	1.2
314.04303	0.8
327.12402	0.8
329.07010	0.8
338.11700	1.7
339.12430	1.0
353.06790	2.3
353.10400	1.7
353.13983	3.2
356.12869	2.2
370.10431	4.4
371.11148	5.5
371.15146	45.3
372.11386	0.8
372.15485	4.6
383.07739	1.6
409.11563	1.3
443.13498	1.4
449.10846	0.7
452.25357	1.1
452.64233	0.7
473.27594	0.8
533.16870	100.0
533.29376	6.6
533.78046	0.9
534.17242	15.2
534.29016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10782	2.1
57.03338	38.5
59.01258	24.1
60.89580	2.4
67.01778	4.9
71.01270	25.4
71.52685	3.9
71.53063	5.1
72.99191	3.4
73.02838	8.6
73.56604	2.4
75.00775	4.0
83.01280	30.8
85.02849	25.7
87.00774	100.0
88.01102	3.0
88.52422	2.7
89.02341	17.5
99.00793	7.8
101.02353	39.2
102.27550	2.5
111.00801	7.9
113.02366	3.9
115.03939	6.1
117.01849	6.4
119.03416	6.0
125.02419	3.7
127.00298	9.5
129.01866	84.1
147.02934	45.8
148.94939	2.9
169.65372	2.4
191.01961	83.2
191.05574	87.0
191.09183	3.3
192.05942	2.6
278.97421	2.3
318.27066	2.2
341.10941	7.5
533.14673	5.6
533.22534	59.2
534.22595	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69173	0.3
59.01266	0.5
64.10625	0.3
71.01263	1.0
71.33782	0.8
73.02829	0.6
79.01829	0.3
93.03362	1.3
117.03374	2.9
119.04906	0.6
135.04422	2.1
147.04440	0.8
149.02367	0.8
159.04518	0.7
160.16098	0.3
161.02400	2.0
163.03944	0.7
175.03964	1.4
177.01912	0.8
177.05457	0.8
179.03447	0.4
187.79758	0.4
189.01935	0.7
191.03473	1.5
203.03468	1.5
205.05078	0.6
209.38268	0.4
215.03497	0.4
221.04620	0.5
242.35255	0.4
251.07269	0.9
253.08672	0.7
265.05139	0.5
267.06680	0.5
268.07581	0.8
269.04794	0.4
274.04791	0.4
281.04550	0.8
282.05341	1.3
283.06195	3.3
284.06244	0.4
293.08047	0.5
295.06161	4.0
296.06790	1.8
297.07742	13.2
298.08066	1.5
307.06259	1.5
309.07776	2.0
311.05743	3.2
312.83795	0.4
323.05710	3.8
324.06366	0.7
325.07217	5.5
326.07608	0.6
328.05954	1.9
335.05579	0.9
337.07364	2.7
338.07620	0.6
341.06689	0.5
341.70502	0.4
353.06729	23.2
354.07104	2.1
355.08319	1.1
356.05402	1.2
365.06653	4.5
366.07584	0.4
379.08270	0.8
383.07803	18.8
384.08243	2.3
395.07803	2.5
399.53781	0.5
407.07950	0.8
413.08932	2.4
425.08859	1.5
430.62677	0.4
443.09961	10.5
444.10287	1.3
455.10141	1.0
473.10828	5.0
474.11301	0.5
515.11981	1.6
533.13129	100.0
534.13452	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	533.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18461	0.4
59.01260	3.0
61.98713	0.6
63.19460	0.3
70.50290	1.3
71.01268	3.1
72.99199	0.7
73.02829	0.9
75.00751	0.8
79.01770	0.4
82.69053	0.3
83.01275	1.0
85.02853	0.4
87.00755	0.6
89.02338	2.0
93.03350	1.2
95.01287	0.4
96.95930	0.6
97.02856	0.5
99.00780	0.5
101.02330	1.8
101.94070	0.3
107.01318	0.3
108.02096	0.5
109.02834	0.7
113.02354	0.8
117.03382	3.7
119.03406	0.4
119.04955	0.6
121.02854	0.7
123.04392	0.3
125.02367	0.9
133.01314	0.4
133.06578	0.4
135.04477	1.6
137.02347	0.5
140.99007	0.3
141.01712	0.3
145.02881	0.4
147.04449	0.7
149.02357	0.9
149.04468	0.4
149.05966	0.5
151.03909	0.5
155.03458	0.3
159.04420	0.8
161.02405	1.9
161.05949	0.5
162.03175	0.4
163.03978	1.5
163.06049	0.3
165.84552	0.3
165.86113	0.4
173.06111	0.4
175.02554	0.4
175.03900	1.6
177.01984	0.7
177.05537	1.2
179.03346	0.9
180.15486	0.3
189.01886	0.7
189.05600	0.4
191.03418	1.3
195.04988	0.7
197.06155	0.4
203.03467	1.6
205.01552	0.3
205.05066	0.5
207.02945	0.5
213.05600	0.3
217.05042	0.6
221.04465	0.5
225.05453	0.4
237.05739	0.5
245.04559	0.7
251.07272	0.4
257.04349	0.4
267.06635	0.5
268.07455	0.9
269.04718	0.4
281.04529	1.1
282.05438	1.9
283.06100	3.2
293.04745	0.6
293.08310	0.6
295.06168	4.4
296.06827	2.5
297.07736	12.6
298.08023	0.8
307.06149	1.9
308.06934	0.6
309.07587	2.1
311.05676	3.6
322.04883	0.5
323.05731	3.3
324.06357	1.2
325.07205	6.1
326.07596	0.5
328.05981	2.6
335.05719	1.2
337.07263	2.9
338.07526	0.5
339.05127	0.4
341.06738	0.7
351.05096	0.4
353.06726	25.9
354.06989	2.8
355.08417	1.2
356.05258	0.7
365.06653	5.4
366.06973	0.8
367.08170	0.4
371.11572	0.7
377.06433	0.4
379.08289	0.5
381.06027	0.4
383.07779	21.9
384.08124	2.9
395.07767	2.1
396.08124	0.6
397.09445	0.6
407.07831	0.7
413.08850	3.3
425.08936	2.2
437.09064	0.3
443.09927	8.2
444.10333	1.1
455.09885	0.9
473.10995	3.5
474.10867	0.4
485.11209	0.4
515.12140	1.4
516.12152	0.4
533.13129	100.0
534.13483	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	533.1311
Annotation	CHEBI:131754
Peak:m/z	Relative Intensity
57.76736	0.3
59.01253	0.5
60.04299	0.3
70.81265	0.9
71.01256	1.1
73.02831	0.5
79.01799	0.5
91.05415	0.4
93.03356	1.7
95.01247	0.3
113.72594	0.3
117.03387	4.8
119.04927	1.0
120.45206	0.3
126.69629	0.3
131.04967	0.4
133.02876	0.7
133.06473	0.4
134.03668	0.3
135.04417	1.7
145.02855	0.4
147.04459	0.9
149.02380	1.0
149.05928	0.5
159.04427	0.5
161.02377	2.0
163.03954	1.3
175.03902	1.7
177.01927	0.5
177.05518	2.0
179.03426	0.7
185.02361	0.5
187.03992	0.7
189.01917	0.8
189.05536	0.6
191.03444	2.1
195.04530	0.3
197.06058	0.6
203.03525	1.4
205.04973	0.9
211.07651	0.5
215.03606	0.5
217.04955	0.7
221.04521	1.0
224.08339	0.5
233.04552	0.8
237.05586	0.4
238.06679	0.4
250.06274	0.3
251.07135	0.6
253.08769	0.7
254.05833	0.4
267.06772	1.1
268.07483	1.2
269.04568	0.6
279.06732	0.6
281.04575	0.7
282.05389	2.2
283.06192	4.7
284.06519	0.5
293.04556	0.9
293.08078	0.7
295.06152	5.3
296.06894	2.9
297.07724	17.3
298.08063	1.6
300.52295	0.4
307.06213	2.5
309.07706	2.6
311.05637	3.3
322.04550	0.4
323.05649	4.3
324.06284	1.2
325.07202	6.2
326.07571	0.5
328.05881	4.0
329.06116	0.5
335.05490	1.7
337.07269	3.1
338.07520	0.5
341.06848	0.8
351.04999	0.5
353.06720	22.7
354.07086	2.4
355.08267	1.2
356.05396	0.9
365.06793	5.1
367.08359	0.4
377.06699	0.5
379.08313	0.8
383.07803	17.3
384.08035	2.1
389.06613	0.4
395.07947	2.2
396.08044	0.4
397.09485	0.7
407.07816	1.1
413.08832	2.6
414.09000	0.5
425.08774	1.9
443.09903	9.0
444.10278	1.1
455.10086	0.5
473.11084	4.8
474.11270	0.7
485.11365	0.5
515.12109	1.3
533.13110	100.0
534.13440	14.6
555.50623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92068	0.2
59.01253	0.7
62.43174	0.2
70.88095	0.3
71.01265	0.9
79.01775	0.2
83.01261	0.3
83.48087	0.2
89.02310	0.4
91.05424	0.3
93.03350	0.8
95.01283	0.4
99.99516	0.2
101.02346	0.2
107.01340	0.2
117.03368	2.7
119.04932	0.7
120.54330	0.2
121.87185	0.2
131.04935	0.3
135.04448	1.6
147.04396	0.3
149.02357	0.8
149.06033	0.2
159.04442	0.4
160.56781	0.2
161.02402	1.3
161.06026	0.4
162.03117	0.2
163.03918	0.7
167.61226	0.2
173.06067	0.4
175.03972	1.3
177.01796	0.4
177.05542	0.9
179.03482	0.6
189.01929	0.5
189.05553	0.5
191.03465	1.0
193.05052	0.2
195.79152	0.2
197.06056	0.3
203.03462	0.9
205.04967	0.4
215.03491	0.4
217.05058	0.3
221.04535	0.7
223.07661	0.3
224.08411	0.4
233.04498	0.6
237.05643	0.3
238.06256	0.2
245.04417	0.3
251.07375	0.3
253.08643	0.4
254.05922	0.2
255.06760	0.2
265.05148	0.2
267.06561	0.5
268.07281	0.5
269.04581	0.2
279.06775	0.3
281.04541	0.5
282.05392	1.5
283.06125	2.8
284.06433	0.3
293.04529	0.2
293.08215	0.3
295.06183	3.5
296.06918	2.2
297.07736	11.6
298.07993	1.2
307.06241	1.5
308.06677	0.4
309.07672	1.9
310.07867	0.3
311.05649	2.4
312.06192	0.2
314.04550	0.3
321.03946	0.2
321.07565	0.4
322.04858	0.4
323.05731	2.7
324.06262	0.9
325.07202	4.8
326.07822	0.3
328.05908	2.2
335.05704	0.9
336.06503	0.3
337.07294	2.1
338.07593	0.2
341.06555	0.5
351.05356	0.3
353.06726	17.6
354.07150	2.0
355.08292	0.8
356.05411	0.6
361.07318	0.3
365.06741	3.4
366.07187	0.4
379.08179	0.3
383.07800	14.3
384.08112	1.5
395.07678	1.2
407.07739	0.8
413.08878	1.9
414.09323	0.3
425.09164	1.4
437.08490	0.3
443.09897	10.5
444.10291	1.2
455.09805	0.8
473.11023	4.7
474.11417	0.6
515.12238	2.0
516.12256	0.3
533.13116	100.0
534.13452	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	531.3185
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
55.01767	1.1
55.81489	0.7
57.03329	2.9
59.01269	27.1
60.51249	0.6
61.98711	1.9
69.81749	4.2
71.01276	15.6
72.99218	3.3
73.02819	1.7
75.00369	1.1
75.00768	15.8
75.34466	0.7
78.86794	0.6
85.02844	19.8
87.00769	6.0
89.02348	4.0
95.01285	3.9
98.19827	0.8
99.00792	8.7
101.02342	0.8
103.00275	3.7
112.83791	0.6
113.02363	29.6
115.00278	2.1
117.01864	2.7
129.01866	1.8
131.03406	0.7
140.99208	0.6
157.01352	1.3
175.02449	4.3
193.03493	0.9
200.21616	0.7
205.07181	1.8
249.06219	5.0
267.07324	5.3
279.23505	1.0
281.24927	63.4
282.25262	5.8
305.18597	0.7
471.28925	0.9
471.34888	2.1
513.30676	1.9
531.31873	100.0
532.32233	18.9
532.40442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84309	0.3
55.01781	0.3
55.12943	0.4
57.03339	2.7
58.00482	2.1
59.01265	41.4
59.15102	0.4
60.01583	0.5
61.98722	1.2
70.71323	1.3
71.01271	25.9
72.99217	2.6
73.02830	2.1
75.00791	0.4
81.34218	0.4
83.01293	1.4
83.04907	0.4
85.02846	3.5
87.00785	0.8
89.02338	23.0
93.03347	0.7
95.01332	0.5
96.95919	0.6
97.02838	0.4
99.00807	1.0
99.04417	3.2
101.02343	4.6
103.03935	1.2
108.02080	0.6
109.02905	0.9
113.02367	2.9
115.00295	0.7
117.03374	5.4
119.03438	1.1
119.04965	0.9
121.02892	0.6
125.02375	2.5
126.02722	0.4
131.01305	1.0
131.03468	1.3
133.02895	0.8
135.04510	0.7
137.02380	0.8
143.03456	0.4
145.02901	1.0
147.04439	0.5
149.02394	1.5
149.04532	1.0
151.00369	0.8
161.02383	1.9
161.04572	0.8
163.03966	0.9
173.02434	2.5
175.00316	5.6
177.01952	0.7
179.05678	0.9
189.01939	0.5
209.11813	0.9
225.05708	0.7
237.05669	0.6
249.05576	0.4
253.05112	1.0
254.05931	0.5
255.06633	1.5
265.05246	0.5
268.03961	0.5
269.04623	7.4
270.04965	0.7
271.06183	0.9
281.04648	6.4
282.05392	7.4
283.06134	6.3
285.04221	0.5
293.04633	65.4
294.04941	5.7
295.06146	3.7
296.06778	1.2
297.04559	0.4
297.07822	1.7
298.04941	2.0
299.05682	0.8
306.05225	1.0
307.06067	1.0
308.06537	0.4
309.04095	0.9
310.04764	1.1
311.05658	10.9
312.05902	0.9
314.04376	3.4
323.05652	8.7
324.06116	1.0
325.07059	1.0
326.07828	0.7
328.06104	1.9
329.06699	4.9
330.06982	0.6
335.05646	2.8
337.03452	0.5
337.07272	1.2
339.05005	0.5
339.08597	0.4
341.06778	8.3
341.10449	1.1
342.06949	0.9
347.05817	0.5
353.06689	3.9
354.07175	0.4
365.06635	2.0
371.11450	1.8
383.07800	59.0
384.08121	6.2
387.20276	0.8
401.08896	1.7
425.08417	0.7
443.09665	4.2
473.10645	0.8
489.13995	1.0
533.13080	100.0
534.13361	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	531.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.9
59.01266	33.6
61.98707	4.2
67.01764	1.0
69.03351	1.4
71.01258	8.3
71.04897	1.4
72.99199	2.2
73.02834	4.2
75.00746	1.2
83.01274	2.1
83.04913	2.6
85.02831	6.0
85.06477	1.9
87.00771	2.1
88.66471	1.2
89.02353	1.9
97.02856	5.7
97.06487	1.3
99.00805	2.2
101.02325	6.0
109.02849	14.9
109.06515	2.6
112.00964	1.2
113.02351	7.2
119.04923	1.4
125.02377	2.4
126.97296	1.2
137.09647	1.2
161.02385	2.3
161.04486	3.9
171.10248	2.4
179.14346	1.3
195.13879	7.9
217.08708	4.1
221.15451	5.1
223.13344	3.2
253.97714	1.1
263.16302	1.2
271.06274	2.3
289.08340	2.5
291.19724	15.4
292.20059	1.5
309.20770	100.0
310.21130	11.1
327.12402	4.7
333.20703	3.0
351.21579	1.3
385.60938	1.1
387.31174	2.1
487.32364	1.8
531.18439	2.5
531.34613	7.2
532.30908	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	531.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69987	0.5
55.01771	1.0
57.03337	76.6
58.00496	0.8
58.03676	1.2
59.01264	100.0
59.66433	0.6
61.98719	2.1
69.03339	0.9
69.22912	3.7
69.23334	2.1
71.01267	26.7
72.99199	1.9
73.02839	5.9
75.00747	0.8
81.03355	1.9
83.01274	3.2
85.02837	7.6
87.00766	3.0
89.02335	16.1
93.87150	0.5
95.01276	2.0
96.95882	0.6
97.02859	1.5
97.06512	0.6
99.00783	2.0
99.04417	79.9
100.04742	1.8
101.02347	32.7
103.03912	2.3
108.02083	2.3
109.02863	1.6
113.02363	8.0
119.03424	7.0
119.04892	1.0
125.02371	31.9
126.02690	1.4
131.03395	0.8
135.04422	0.7
137.02376	1.2
137.09631	0.5
143.03453	4.9
145.05103	0.6
148.05263	4.1
149.04465	1.1
149.05734	0.6
151.03894	0.6
152.01123	2.6
160.03967	0.9
161.04506	5.3
163.06015	3.1
163.07550	1.9
175.02274	0.6
225.14787	1.6
247.08031	0.7
307.10388	3.0
337.07129	0.6
339.08673	1.0
351.08795	0.9
367.08160	0.9
369.09769	1.1
369.19150	4.2
387.20297	17.3
388.20496	2.5
411.10956	1.2
429.21350	12.9
430.21326	1.5
441.11688	2.4
469.24515	2.8
487.25159	2.2
531.15479	6.9
531.24188	29.1
532.15417	1.6
532.24493	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05889	0.7
55.01770	0.9
57.03337	100.0
58.00487	1.0
58.03691	0.9
59.01265	60.6
60.01607	0.9
69.03353	0.7
70.20679	2.9
71.01271	25.0
72.99189	1.4
73.02836	28.1
78.80875	0.7
79.05427	2.2
81.03356	2.3
83.01275	9.4
85.02840	4.7
87.00781	1.5
89.02340	14.2
89.23515	0.7
92.68069	0.8
95.01368	0.9
95.04978	0.8
96.95902	7.9
97.02827	0.9
97.06493	1.5
99.04420	72.7
100.04765	2.0
101.02347	42.4
102.02657	0.9
109.02869	0.7
109.06536	1.5
113.02365	12.0
113.05976	4.4
119.03415	6.3
123.03539	1.1
123.04443	17.3
124.04751	0.9
125.01443	1.4
125.02366	28.4
126.02729	1.1
131.03444	2.0
141.05531	3.8
143.03435	7.6
149.04486	4.5
153.05513	3.2
155.03398	0.9
161.04504	10.7
177.01930	1.1
178.30733	0.7
179.05553	2.1
189.07629	0.6
221.06693	2.0
358.96774	0.7
365.65799	0.7
369.10135	1.6
387.20255	2.4
429.21375	1.7
471.30170	0.9
487.25250	1.1
511.81137	0.8
531.24548	31.1
532.24866	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	531.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05388	0.7
52.43639	0.7
55.01759	1.1
57.03338	90.8
58.00473	1.6
58.03662	1.4
59.01263	100.0
61.98721	4.2
68.20168	0.7
69.03319	0.8
71.01270	40.6
71.04910	0.7
71.53850	1.3
72.99197	5.5
73.02831	18.1
75.00755	2.2
81.03340	2.8
83.01272	7.9
83.04913	2.1
85.02850	12.1
87.00763	4.9
89.02335	25.7
93.03357	1.6
95.01278	1.8
96.95922	7.9
97.02852	1.4
97.06471	2.1
98.02362	1.0
99.00812	4.1
99.04417	94.3
100.04734	1.8
101.02348	45.3
102.02685	0.9
103.03919	9.5
108.02072	1.7
108.53929	0.7
109.02863	2.2
109.06506	0.9
111.00848	0.7
113.02351	16.8
113.05994	1.5
115.03926	0.9
117.03358	0.8
117.05562	0.8
117.85892	0.8
119.03418	11.2
119.04935	2.0
121.02827	0.9
121.06498	0.9
123.02612	0.7
123.04435	6.9
123.08059	2.6
124.01569	0.9
125.02368	37.3
126.02653	1.1
127.00301	1.1
131.03427	2.6
135.04442	1.4
137.02383	1.6
137.09644	2.5
139.03903	1.1
139.86658	0.7
141.05487	1.3
143.03429	19.8
144.03796	1.0
145.02921	1.6
149.02374	1.4
149.04462	2.1
151.03946	3.7
151.07561	2.6
152.01070	2.6
153.01784	1.9
153.05518	0.9
153.09105	0.8
158.04453	1.4
161.02431	1.1
161.04503	22.2
163.06075	2.1
163.11214	2.3
165.05539	0.8
165.09132	0.9
167.03473	1.4
174.21085	0.9
175.02399	1.5
177.05597	0.9
179.03734	1.0
179.05577	12.4
179.07028	1.5
181.05029	1.1
189.12785	2.9
203.05515	1.6
205.04964	0.8
205.06978	0.9
205.12292	1.2
207.13882	6.1
221.06638	2.9
225.14940	1.2
233.06662	2.1
253.05186	2.0
263.07840	8.6
267.06668	3.1
283.06091	0.8
295.06137	4.2
311.05688	1.7
323.06946	0.6
323.09885	17.1
324.09866	1.0
330.35480	0.9
367.08246	1.4
369.09976	1.2
369.19183	1.5
387.20331	9.7
388.20358	1.0
393.52951	0.9
411.11176	1.0
415.10541	4.2
427.11819	0.9
429.21313	5.1
447.11594	2.1
469.24588	1.1
487.12634	0.9
487.33127	1.2
513.30725	1.5
531.15314	4.7
531.24445	19.7
531.31750	5.6
532.25232	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	531.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.9
61.98717	1.7
69.03300	0.6
69.32123	1.3
69.32549	2.6
71.01271	5.9
72.99193	2.8
73.02839	2.2
75.00752	0.6
83.00795	0.4
83.01276	1.6
85.02831	4.0
86.55510	0.4
86.84149	0.4
87.00787	0.9
87.04402	0.6
89.02329	3.6
93.03363	0.9
94.04250	0.4
95.01297	1.3
96.95927	0.5
97.02843	0.9
99.00784	1.2
99.04414	5.3
101.02338	4.6
101.05983	19.6
103.03905	2.7
103.79781	0.4
107.04904	0.9
108.02074	50.5
109.02288	0.6
109.02885	8.5
111.00752	0.5
113.02364	3.1
115.03908	0.5
119.03430	1.3
121.02871	0.9
122.79337	0.4
123.00777	0.9
123.04433	0.9
125.02388	3.1
134.03645	0.5
135.04430	1.4
137.02380	1.4
143.03433	1.1
145.02896	0.6
145.04999	0.7
147.04439	0.5
149.02412	0.7
149.06033	0.5
151.03844	0.5
152.01089	91.3
153.01628	4.2
153.05476	0.5
159.02989	0.7
159.04340	0.5
161.02446	0.8
161.04584	2.1
161.05803	0.5
163.03958	3.8
163.06085	0.8
165.01872	0.4
177.01964	1.1
179.03503	0.9
179.05551	1.5
207.03059	0.7
209.11761	1.4
219.02757	0.4
225.18251	0.4
247.08534	0.5
251.07512	0.5
253.05170	0.4
263.20657	0.4
281.04453	0.5
282.05243	0.9
283.06235	0.6
293.04684	1.5
294.05280	0.8
295.06171	5.8
296.06451	0.5
315.07492	0.5
323.09448	1.3
351.08792	2.9
351.12506	0.7
352.09073	0.6
358.34564	0.5
367.35699	0.4
369.09854	9.3
370.10184	1.2
387.20215	0.6
429.10437	9.8
429.21234	0.7
430.10690	0.8
457.11368	0.7
513.30542	0.6
531.17261	100.0
532.17627	13.0
532.24054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99950	0.4
57.03336	5.2
59.01264	12.0
60.01590	0.3
61.42518	0.3
61.98718	7.1
65.00218	0.9
65.03870	0.4
65.90270	0.3
68.99723	0.5
69.35400	1.4
69.35825	2.0
71.01273	4.4
71.04922	0.4
72.99196	1.0
73.02834	1.9
73.59168	0.3
75.00758	1.1
79.05426	4.5
80.24260	0.3
81.03358	1.5
83.01266	2.7
83.01696	0.4
83.04918	0.9
85.02837	2.4
87.00768	1.0
89.02348	2.0
93.03352	2.6
93.06999	1.0
95.01293	0.8
95.04930	3.4
97.02831	0.9
97.05873	0.7
97.06499	9.5
98.20506	0.7
99.00790	1.2
99.04421	0.8
101.02352	2.8
103.05437	0.8
105.03372	1.3
107.01299	0.6
107.04949	0.8
108.02078	2.1
109.02859	4.1
109.06460	0.8
111.00787	0.6
111.04421	0.5
111.08045	0.8
113.02357	1.9
115.00307	0.5
119.03397	0.7
119.04928	1.4
120.05704	0.4
121.02883	3.8
121.06509	6.7
122.03668	0.8
123.04440	3.9
124.00656	0.6
124.01578	11.0
124.02441	0.7
124.05224	1.2
125.02402	2.7
125.53697	0.3
130.04158	0.5
133.02855	2.0
133.06506	0.5
134.03687	1.6
135.04463	4.6
135.08104	2.9
136.01591	0.5
136.05078	0.4
137.02380	2.5
137.06024	3.1
139.03935	0.4
139.07579	10.8
140.07875	0.3
143.19206	0.3
145.02919	0.4
145.06512	2.5
147.04436	4.4
148.01614	0.5
148.05280	0.8
148.94707	0.4
149.02388	7.1
149.04443	0.5
149.06049	1.2
150.03171	3.7
151.00360	1.8
151.03935	2.8
151.07561	1.5
152.01070	0.8
152.07982	0.6
153.05573	0.7
159.03062	0.4
159.04477	1.1
160.05206	0.4
161.02402	7.6
161.04539	1.1
161.06029	2.5
162.03116	1.0
162.06773	0.4
163.03954	1.6
163.07568	3.4
164.04729	0.5
165.01988	0.5
165.05521	4.8
173.06067	0.8
174.03171	3.1
175.02449	0.5
175.03912	0.6
175.07570	0.8
176.04720	0.4
177.01889	0.6
177.05609	0.9
177.09203	0.4
179.07108	5.1
187.03984	0.5
189.05547	16.4
189.09149	1.1
190.05882	0.9
191.03555	0.5
191.07104	0.6
192.04243	0.7
201.01921	0.6
201.05518	0.6
202.06290	0.9
203.03438	0.6
203.07095	1.8
203.10847	0.4
204.07925	0.6
205.05095	0.5
206.05887	0.4
207.06618	100.0
208.06955	5.0
215.03444	0.4
217.05081	1.6
217.08751	1.1
219.06664	0.9
229.05060	0.8
234.05305	0.6
247.06210	0.7
253.04982	0.5
255.06668	2.5
255.10455	0.6
259.06107	0.8
268.03854	0.8
269.04813	0.8
271.06201	2.2
283.09879	3.5
284.09970	0.4
285.04239	0.5
289.08542	0.4
289.21896	0.4
295.09778	0.4
297.07758	1.1
301.10715	0.9
306.07819	1.2
311.05496	0.5
323.09387	2.8
324.09592	0.5
351.08868	5.1
353.10397	0.5
354.11105	1.0
367.08005	0.7
368.08527	1.1
369.09689	14.3
369.13580	10.5
369.17310	2.5
370.10031	1.8
370.13763	0.6
393.09924	0.6
443.33694	0.4
459.54318	0.4
468.34140	0.7
469.34668	0.4
471.29825	0.4
486.35089	1.0
487.32938	0.7
513.14093	0.6
530.34229	1.0
531.15143	51.1
532.15399	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	531.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	2.2
59.01265	26.5
61.98702	1.8
65.00200	1.2
69.03318	0.7
71.01265	6.9
71.04896	0.7
71.51808	0.6
72.99190	1.3
73.02829	2.8
75.00747	0.6
77.03918	0.4
79.01779	0.6
81.03345	0.8
83.01262	2.1
83.04918	0.7
83.80781	0.4
85.02850	2.8
87.00773	1.3
87.04401	0.5
89.02328	3.7
93.03315	0.8
95.01281	0.8
96.95892	0.7
97.02846	1.5
97.03438	0.5
99.00780	1.8
99.04411	0.9
101.02354	5.0
107.01324	0.6
108.02061	1.8
109.02191	0.4
109.02846	2.3
109.06495	0.6
111.00784	1.1
111.04420	0.8
111.08073	0.6
113.02364	3.1
114.51998	0.4
115.00262	0.6
117.03407	0.4
119.01309	0.4
119.03419	1.6
119.04936	1.3
121.02869	1.8
122.03662	0.7
123.00784	0.4
123.04429	1.3
123.08089	0.7
124.04768	0.5
125.02364	3.9
125.06073	0.5
126.99464	0.7
129.85574	0.4
133.02893	2.1
135.00815	0.6
135.04480	2.3
135.05302	0.4
135.08134	0.4
136.01582	1.7
136.05292	0.4
137.02367	1.7
137.05991	0.8
139.03934	0.7
140.07068	1.0
145.02852	1.2
147.04449	1.4
148.01587	1.0
149.02380	3.3
149.04562	0.5
149.06010	1.0
151.00299	1.6
151.03961	0.9
151.07562	1.6
152.01089	1.6
153.01788	0.6
160.01624	0.5
160.19209	0.4
161.02348	1.4
161.04500	1.3
161.05881	0.5
161.08093	1.0
163.00319	3.3
163.03979	0.9
164.01019	1.0
165.01895	1.7
167.03403	1.3
173.05998	0.7
174.03111	0.6
175.00301	0.4
175.03949	2.2
177.01921	2.3
179.05559	0.8
183.04616	0.5
185.06055	0.4
187.03917	0.6
188.01143	1.1
189.01691	0.5
189.05515	0.8
190.02617	0.6
193.05009	0.6
198.03258	0.5
199.03993	0.8
201.01901	1.3
205.05003	0.6
211.03931	0.8
212.04675	0.5
213.05656	0.8
223.05980	0.4
224.04805	0.4
225.05553	1.5
226.06244	0.5
227.03438	0.8
228.04187	1.2
229.05037	1.3
230.05930	0.9
231.06686	0.9
235.06042	0.7
237.05562	0.5
239.03500	0.8
241.05057	1.3
242.05673	0.8
247.06180	0.5
253.05075	4.0
254.05728	1.7
255.06636	1.5
267.02982	0.8
267.06668	0.5
268.03714	0.9
269.04608	12.1
270.05121	1.6
271.06104	1.4
281.04578	1.0
282.05328	0.6
283.06198	2.8
284.06949	1.3
285.04251	0.7
291.20950	0.4
293.04626	0.5
295.06042	0.5
295.09659	0.6
297.04114	10.6
298.04886	10.2
299.05688	5.2
309.04132	14.0
309.07755	0.8
310.04541	1.7
311.05682	3.9
311.09058	0.6
312.06256	1.5
313.07034	0.6
315.06845	0.6
323.05713	0.7
323.09415	1.2
325.10828	1.1
330.03836	1.1
335.05664	1.7
337.06998	0.9
338.08032	1.6
339.08850	7.0
340.09113	0.9
341.06683	0.7
341.10373	0.6
344.05460	0.9
349.07245	0.8
350.07980	1.2
351.04825	0.6
351.08829	9.2
351.12668	0.3
352.09140	1.5
353.06534	0.8
367.08151	1.1
368.09042	14.9
369.09781	41.3
369.13559	2.2
370.10229	4.6
371.07764	0.6
381.09827	0.9
385.09232	0.5
402.06427	0.6
411.10898	1.8
423.10760	0.7
441.11987	16.9
442.12231	1.9
445.07672	1.2
450.14081	0.6
453.11975	0.9
460.09872	0.5
461.10751	2.3
469.31299	0.6
471.12817	1.2
475.27371	0.4
486.31607	1.2
487.32324	1.2
513.14136	2.1
514.14655	0.5
530.34863	2.7
531.15179	100.0
531.32275	5.4
532.15509	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	530.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.8
61.98701	2.3
66.47987	0.4
69.49754	0.5
71.01258	1.5
75.00762	1.1
78.95795	17.3
80.95984	0.4
85.02816	1.2
87.15473	0.4
95.53820	0.5
96.95920	1.2
98.19824	0.8
99.00827	0.6
113.02353	1.6
117.13480	0.4
152.99521	4.0
168.04251	3.3
224.06911	7.7
242.07983	2.1
255.23326	100.0
256.23666	8.9
277.21802	1.5
279.23334	2.0
280.23599	2.9
339.90503	0.4
425.83597	0.5
445.23401	0.5
461.32037	0.5
480.31061	70.9
481.31500	10.6
530.30597	6.6
531.20746	0.5
531.30786	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3028
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
51.23693	0.9
55.01763	1.1
57.03328	3.0
59.01264	20.0
60.99186	1.3
61.98701	3.4
68.23686	1.1
68.99672	1.2
69.03355	1.4
71.01273	15.7
71.51684	1.5
72.99196	5.5
73.02839	1.9
74.95251	0.9
75.00768	15.7
78.95795	5.9
85.02842	21.6
87.00771	7.4
87.43152	1.0
88.98690	3.9
89.02345	7.2
94.91841	1.1
95.01263	4.1
96.95901	1.4
99.00779	9.5
101.02366	1.0
103.00264	2.7
112.01518	1.3
113.02357	28.8
117.01859	1.5
152.99503	1.2
175.02446	3.8
205.07051	1.3
207.64050	1.2
223.08130	1.3
224.06955	2.8
249.06197	7.9
255.20702	2.3
255.23335	30.5
267.07236	6.6
277.21887	2.1
279.23355	59.5
279.62878	1.0
280.23685	8.3
472.36969	1.0
480.31125	23.2
483.06110	1.1
511.29138	1.7
529.30255	100.0
530.30682	15.4
556.66064	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	529.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59818	0.1
51.30096	0.1
55.01775	0.4
57.03334	0.4
57.16323	0.1
57.94872	0.1
58.00490	0.4
59.01263	9.3
61.98729	0.5
69.03349	0.3
71.01270	6.8
71.04910	2.5
71.29307	0.2
72.01610	0.2
72.99207	0.6
73.02839	1.3
83.01285	0.7
83.04929	0.5
85.02850	1.7
85.06506	0.3
87.00765	1.3
87.04411	0.3
89.02336	5.7
91.03925	0.2
95.01302	0.6
97.02909	0.2
97.06490	0.2
97.29578	0.1
99.00783	0.3
101.02347	6.5
102.02688	0.2
109.02861	0.2
113.02361	2.8
119.03431	1.6
125.02396	0.3
133.04974	0.2
133.06358	0.2
143.03380	0.7
149.04514	0.3
161.04495	2.8
177.16437	0.3
179.05608	1.0
191.18042	0.4
209.15475	1.2
211.13451	0.2
217.15996	0.4
219.17491	0.3
221.15506	0.6
223.17053	2.3
231.21242	1.1
232.21576	0.2
233.15526	0.3
235.08270	1.1
235.17052	20.5
236.17395	1.7
237.18600	0.3
253.09328	29.6
254.09721	1.3
257.19189	0.2
275.20209	25.0
276.20529	2.1
291.19812	0.2
293.21286	100.0
294.21606	9.4
331.10901	0.2
497.27921	0.2
529.16486	0.2
529.29779	0.5
548.09827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.3
57.03332	0.4
58.00478	0.2
58.28971	0.1
59.01262	7.6
61.98700	0.3
68.01270	0.2
69.03356	0.3
71.01269	5.2
72.99196	0.4
73.02855	0.8
83.01279	0.6
83.67500	0.2
85.02855	1.3
87.00763	0.6
87.41162	0.1
89.02337	4.9
91.03967	0.2
95.01302	0.4
95.04947	0.3
97.02858	0.3
98.20615	0.5
99.00813	0.3
101.02345	6.2
101.03016	0.3
111.08055	0.4
113.02353	2.6
113.09622	0.3
119.03443	1.8
125.02377	0.2
131.03423	0.3
133.48404	0.2
143.03461	0.6
150.83946	0.2
151.86256	0.1
161.04518	3.0
167.10725	0.4
177.12843	0.2
177.16524	0.3
179.05609	1.3
179.14384	0.8
181.12308	0.3
195.13892	9.5
195.60963	0.1
196.06142	0.2
196.14415	1.0
205.12360	0.8
205.15958	0.4
211.13345	0.6
223.13400	6.1
224.13811	0.6
225.14919	0.2
228.13635	0.7
231.21165	0.3
234.99910	0.2
235.08238	0.2
249.22307	0.3
253.09322	32.2
254.09659	1.3
256.13181	1.3
265.21817	0.5
275.20212	5.3
276.20639	0.6
293.21283	100.0
294.21622	8.6
300.88672	0.2
306.46774	0.2
307.19159	0.3
409.06873	0.2
492.22305	0.6
529.29474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
57.03337	70.4
58.00475	1.6
58.03684	0.8
59.01265	100.0
60.01615	1.2
61.98717	8.2
68.18929	0.5
69.03346	0.8
70.26220	2.6
71.01272	30.1
71.04920	1.1
72.01653	0.7
72.99210	3.3
73.02835	12.0
75.00764	0.8
81.03342	3.1
83.01283	5.8
83.04910	1.2
83.06263	0.6
85.02841	10.6
85.06463	0.6
87.00775	5.2
87.04440	0.9
89.02337	18.9
93.03366	1.0
95.01285	2.2
95.04905	0.7
97.02834	1.2
97.06507	1.2
99.00786	2.5
99.04418	89.4
100.04768	1.5
101.02345	35.3
102.02708	0.9
107.04935	1.0
108.02096	1.6
109.02857	1.6
109.06495	1.0
111.00787	0.6
111.04418	2.4
111.08062	1.0
113.02359	14.4
113.05994	1.3
117.03381	1.3
119.03433	7.6
119.04908	1.4
121.02855	1.0
123.00742	0.8
123.04420	3.3
123.08053	0.9
124.01591	0.9
125.02367	56.2
125.05979	1.1
125.09680	0.5
126.02705	5.5
127.07576	1.0
131.03418	2.1
134.03668	13.4
135.04407	2.1
135.08084	0.8
136.05122	0.7
137.02383	3.3
137.05992	1.9
137.09621	0.7
139.00314	0.6
139.03955	0.7
139.07571	0.8
141.01828	1.7
141.05482	0.7
141.09126	1.1
143.03458	4.7
147.04407	0.6
149.02361	0.9
149.04495	1.3
149.05991	2.2
151.00296	1.5
151.03941	1.1
151.07585	4.0
152.01079	1.8
153.01846	1.1
153.05536	3.0
153.09137	1.6
160.01523	2.0
161.02385	1.2
161.04507	7.9
161.09549	1.0
163.03952	1.2
163.11266	0.8
165.05482	0.8
167.03381	1.4
167.10713	0.5
175.03952	2.5
177.01909	10.1
178.02217	6.6
179.03410	0.5
179.05592	5.5
179.07007	1.2
187.11186	2.4
193.05025	17.9
203.10559	0.5
205.01645	0.6
205.12346	3.7
207.10194	0.6
214.01253	0.5
221.10271	0.8
223.13420	0.9
233.11780	1.8
255.06458	0.7
259.13312	0.9
269.04453	0.9
277.14352	1.5
287.06073	0.6
323.09158	0.8
339.07397	2.5
340.07635	5.3
341.07385	0.9
349.16498	0.6
367.08322	0.7
367.17624	2.9
385.18762	8.7
386.18823	0.7
409.09384	0.8
427.19745	10.6
428.20016	0.9
463.24506	4.6
463.74380	2.1
466.10837	7.9
467.10977	1.0
467.22736	1.5
467.29980	3.5
468.30350	0.6
485.23755	2.1
485.31119	16.1
486.31223	1.4
511.32849	1.0
529.12543	1.0
529.22632	11.0
529.33038	10.1
530.15161	0.6
530.22723	1.8
530.29974	0.8
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
57.03323	1.4
59.01262	11.5
61.98704	1.2
69.21357	0.5
69.21753	4.5
71.01271	9.4
72.99201	1.7
73.02821	1.4
75.00764	0.6
81.16048	0.5
83.01279	3.6
85.02823	2.3
87.00774	2.0
89.01828	0.9
89.02341	7.8
95.01279	1.0
97.02878	0.7
98.19856	0.8
99.00778	4.2
99.04401	1.5
100.01559	1.5
101.02347	5.0
108.02083	2.3
109.02857	0.8
111.00785	4.1
111.69514	0.5
113.02362	3.4
113.99499	14.0
115.00289	6.2
119.03428	3.4
123.04404	0.7
125.02354	1.1
127.00375	0.7
128.01105	1.0
128.44330	0.4
128.88638	0.4
137.02353	0.8
139.00310	1.2
141.01862	0.8
143.03426	3.6
145.01117	0.4
151.00266	0.7
151.03949	0.5
152.01086	4.5
156.00592	24.0
157.01295	1.6
161.04472	0.9
174.01654	100.0
175.02173	3.3
179.05582	2.4
190.96382	0.4
231.13834	0.6
287.16571	1.0
335.12381	0.5
378.02829	0.6
378.10965	0.5
429.21042	2.3
467.23215	0.6
469.20776	6.1
470.21356	1.0
511.22031	1.0
529.15222	2.9
529.23877	4.2
529.30688	1.4
530.15637	1.0
530.23413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.7
56.41463	0.8
57.03337	93.3
58.00481	1.4
59.01266	79.9
61.98717	8.1
66.57283	0.9
69.03329	0.8
70.23280	3.4
71.01272	32.8
72.99195	1.6
73.02834	13.9
75.00733	0.9
78.95805	2.4
81.03347	3.6
83.01277	7.2
85.02843	9.8
87.00787	2.0
89.02334	11.7
95.01305	2.6
95.04897	1.7
96.95921	13.6
96.96867	4.1
97.02862	2.9
98.02364	2.4
99.00775	1.9
99.04420	100.0
100.04765	1.8
101.02349	37.9
108.02090	0.9
108.05755	1.1
109.02908	1.5
109.06466	1.4
111.04442	1.1
113.02366	16.0
113.05986	2.9
113.99523	2.5
115.00275	2.0
119.03430	3.2
123.04440	3.0
123.08079	2.9
124.56888	0.9
125.02367	49.0
125.05955	1.5
126.02709	2.2
131.03401	1.0
135.04411	1.1
136.05153	1.8
138.06810	11.6
139.07578	4.4
141.01883	2.8
143.03459	6.5
145.11357	0.9
149.04471	1.8
149.06052	1.0
151.07582	12.7
152.04840	0.9
152.08377	19.1
153.09155	63.0
154.09473	3.4
161.04520	12.0
161.09677	1.5
163.11282	1.6
165.09166	2.6
174.01637	3.9
179.05518	2.2
179.10718	1.5
190.09940	2.5
203.05626	1.6
204.37201	0.9
205.12314	34.4
206.12671	1.4
223.13409	22.3
224.13760	1.2
266.07416	0.9
367.17706	17.8
367.22128	1.5
368.18137	2.5
385.18842	27.5
386.19186	2.9
427.19791	15.5
428.20233	3.0
467.22995	3.9
476.05777	1.0
485.24017	3.9
529.23083	41.2
529.29700	1.8
530.23206	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	529.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.0
57.03336	93.4
58.00478	1.3
58.03662	1.4
59.01263	72.0
60.01595	1.0
61.98720	1.7
67.01785	0.7
69.03345	0.8
71.01270	31.8
71.04891	0.9
72.99200	2.7
73.02834	19.6
75.00809	0.6
76.49481	0.6
78.95741	0.6
79.05418	1.0
81.03355	2.6
83.01282	8.3
83.04922	1.2
83.70993	0.6
85.02842	8.8
87.00765	5.8
87.04377	1.1
87.59232	0.5
89.02339	19.5
91.01793	1.5
93.03338	0.6
95.01297	2.3
96.95898	4.9
97.02852	1.6
97.06487	1.7
99.00782	3.0
99.04417	100.0
100.04755	2.4
101.02343	49.7
102.02705	1.4
108.02067	1.7
109.02869	1.2
109.06486	1.0
111.00784	1.1
111.04441	1.7
113.02358	14.3
113.05968	1.9
119.03418	9.1
119.04854	1.3
123.00761	0.7
123.04436	9.8
123.08083	1.0
124.04706	0.5
125.02364	51.1
129.01787	0.7
131.03400	2.6
135.04417	1.4
135.08049	0.9
136.05228	1.1
137.02347	1.6
137.09657	1.0
141.01794	0.7
141.05440	1.6
143.03430	7.3
149.04492	4.1
149.05602	0.8
150.06755	0.9
151.07587	5.8
152.01035	2.1
153.05489	1.7
153.09042	0.6
159.02942	0.6
161.02400	0.6
161.04504	11.6
161.05847	1.3
161.09647	3.1
167.03439	16.9
168.03764	1.0
169.94713	0.6
176.08344	1.9
179.05577	6.5
187.11253	15.1
188.11583	1.0
189.09131	1.1
189.12737	0.7
190.02705	0.9
190.09903	2.7
193.08592	0.8
203.10675	2.0
204.11475	3.1
205.12318	18.2
206.12579	1.0
215.10645	1.8
221.06612	2.0
231.14009	0.7
233.11838	9.2
247.13330	0.7
259.13452	6.0
260.13812	0.7
265.63364	0.6
277.14487	7.4
278.14850	0.7
282.05530	0.7
289.14658	0.6
345.10477	0.6
349.16534	2.7
367.08096	2.5
367.17758	6.6
385.18719	7.4
386.18942	0.9
409.18408	2.1
427.19791	7.6
449.21790	0.7
449.66559	0.8
467.22333	2.4
467.33792	1.9
485.23553	2.5
485.31079	3.6
528.77423	2.0
529.13824	2.2
529.22583	23.7
529.33020	5.5
530.23425	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	529.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92769	0.4
54.47303	0.4
57.03319	0.7
59.01261	6.9
61.98715	4.6
68.71311	0.4
68.99715	0.8
69.03342	0.5
71.01273	5.3
71.04910	0.5
71.54024	0.7
73.02837	1.4
74.36049	0.4
75.00757	2.2
83.01295	0.7
83.04948	0.9
85.02837	2.2
87.00759	1.4
89.02345	1.1
95.01296	0.7
96.99210	3.8
97.99550	1.0
99.00779	1.1
101.02359	2.7
109.02884	1.2
111.04458	1.2
113.02363	1.1
121.02813	0.5
123.08021	0.6
129.01854	5.9
130.02179	0.9
131.02347	0.7
135.04456	1.6
136.04881	0.7
141.09113	3.5
148.01599	1.4
149.02359	0.5
158.03874	0.4
161.04500	0.8
183.13879	2.6
187.07620	0.8
189.01999	0.4
197.11835	1.8
201.02016	0.6
201.09167	1.0
201.11162	0.6
203.09792	0.5
209.11839	1.4
213.01904	1.0
213.09259	0.5
215.03346	0.5
227.03503	0.5
227.12793	0.9
231.06659	0.5
237.09660	0.8
239.07108	0.8
241.05016	0.5
251.07286	0.5
253.05130	0.5
253.09256	0.7
256.07346	0.8
257.08185	0.9
265.05011	0.6
267.06696	0.6
275.20163	1.0
278.06027	0.6
279.06564	0.6
283.06262	0.7
284.06732	0.4
293.21310	3.3
296.03082	0.5
297.04172	0.8
297.07648	0.6
298.04449	0.7
309.04178	2.7
309.21014	0.5
310.04785	1.6
311.05701	5.3
312.05948	0.5
322.04880	2.6
323.05646	16.3
323.09521	0.9
323.12863	2.3
324.06177	1.9
324.13287	3.3
325.07294	1.1
325.13666	4.0
326.07983	0.5
335.05695	1.9
337.07208	4.2
349.10834	0.5
351.05142	0.9
351.08957	1.3
352.09467	2.3
353.10352	2.0
358.06949	0.9
363.05255	1.2
364.09534	1.3
365.10400	2.0
366.11102	7.1
367.11826	6.6
368.12418	0.5
369.06195	0.5
377.10361	1.3
378.11087	1.4
379.12067	2.5
380.12720	0.9
381.06134	1.3
381.13678	2.6
393.09363	0.7
393.13696	1.1
394.10510	3.2
395.11371	1.8
396.12210	1.2
398.10226	0.7
405.09961	0.7
406.10696	3.4
407.11209	1.2
409.13022	12.0
410.13214	1.6
412.11679	1.2
421.12921	7.7
422.13364	1.1
423.14728	0.8
424.11713	19.6
425.11911	3.4
436.11636	0.9
437.12271	0.6
439.14053	100.0
440.14392	15.0
451.14105	3.2
453.15448	2.4
463.76080	0.5
467.33771	0.5
469.15097	5.8
470.15457	0.9
475.14050	0.9
493.15146	2.0
494.15808	0.6
503.75104	0.6
511.16214	3.8
511.29004	1.3
512.17133	0.5
512.26086	1.1
512.75946	5.2
513.26422	0.7
528.26520	0.6
528.77325	5.1
529.17273	17.1
529.27313	1.6
529.34198	1.0
530.17322	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	529.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	0.4
57.71747	0.3
59.01263	4.6
60.75030	0.4
61.98681	1.3
61.98976	0.3
71.01276	2.5
71.08020	1.0
73.02813	0.9
75.00735	1.5
79.78094	0.3
83.01259	0.6
84.51923	0.3
85.02849	0.8
85.59580	0.3
87.00745	0.9
89.26949	0.3
93.03348	0.4
95.01301	0.3
95.04856	0.3
96.99220	0.8
101.02332	2.0
101.66217	0.3
111.04443	0.4
113.02341	0.6
129.01836	0.8
133.02837	0.7
135.04399	0.6
141.09117	0.9
144.31506	0.3
148.01535	1.1
149.02348	0.5
150.03152	0.5
159.04321	0.4
177.01906	0.5
183.13820	1.1
187.07567	0.3
201.01778	0.4
202.02632	0.5
203.03487	0.5
209.11841	0.6
209.15337	0.5
213.01869	0.5
213.05550	0.3
215.03503	0.6
215.07101	0.4
227.03366	0.4
227.07164	0.4
231.06557	0.5
237.05495	0.4
239.07103	0.4
253.08984	0.5
255.06541	0.7
256.07382	1.2
275.20334	0.5
278.05862	0.5
279.06665	0.6
283.02823	0.4
283.06134	0.6
293.04498	0.5
293.21280	0.6
295.06119	0.5
296.03232	0.5
297.03976	0.8
297.99423	0.3
298.04648	0.4
309.04083	1.2
310.04755	1.0
311.05737	4.7
312.06067	0.7
319.06229	0.4
321.11298	0.7
322.04950	1.8
323.05679	16.2
324.06064	1.6
325.07175	1.4
335.05759	1.5
337.07309	3.2
337.10916	0.6
347.09033	0.4
349.11047	0.6
351.04935	0.9
351.08853	0.8
352.05606	0.5
352.09558	1.6
353.06262	0.6
353.10294	1.5
363.05087	0.9
363.08990	0.6
364.09583	1.6
365.10275	3.9
366.11066	7.0
367.07849	0.6
367.11874	4.0
368.12381	0.6
369.06097	0.8
377.10327	1.4
378.11060	1.3
379.12027	2.7
380.12521	0.8
381.06241	1.0
381.13544	2.9
382.13904	0.8
391.12158	0.6
393.09683	1.0
393.13773	0.9
394.02435	0.4
394.10565	3.7
395.11304	1.6
398.10010	0.6
405.09518	0.5
406.10660	3.9
407.11197	1.4
408.12054	0.7
409.12976	15.4
409.18411	0.8
410.13367	2.7
412.11826	1.0
421.13028	8.9
422.13348	1.0
423.14520	0.4
424.11688	17.2
425.11987	2.8
435.14053	0.4
436.11578	1.2
437.12692	0.7
439.14044	100.0
440.14398	13.8
447.15842	0.3
451.14063	4.3
452.14380	1.0
453.15625	3.4
454.15820	0.6
465.15872	0.4
469.15134	7.3
470.15381	1.0
481.14819	0.6
493.15131	3.0
511.16217	4.6
512.16565	0.5
512.76019	0.9
528.77246	1.6
529.17273	18.5
530.17688	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	529.173
Annotation	Icariside I
Peak:m/z	Relative Intensity
57.03321	0.5
59.01263	6.6
61.98711	3.8
69.46380	2.8
69.46789	0.9
69.74870	0.4
70.78982	0.4
71.01262	2.3
72.01600	0.5
72.99179	0.9
73.02852	1.2
83.01268	0.9
83.04913	1.1
85.02832	0.7
85.06476	0.7
87.00781	1.5
89.02364	0.5
96.95931	1.3
96.98534	0.4
96.99190	0.9
97.06450	0.6
99.00822	0.7
101.02325	1.2
104.28282	0.4
109.02879	0.6
111.04417	1.6
113.02321	0.9
121.02878	0.8
125.02372	0.9
127.03960	0.7
129.01859	1.9
130.02148	0.5
133.02878	0.7
135.04422	1.0
141.09134	7.2
149.06035	0.5
151.03951	0.5
160.81940	0.5
161.02415	0.5
182.03795	0.5
188.01338	0.5
201.01825	0.6
203.07289	0.5
217.05075	0.9
238.26520	0.5
268.03809	3.7
282.05188	0.5
293.04614	2.3
299.05392	0.7
308.07135	1.0
309.04095	3.5
310.04718	1.1
311.05667	1.1
314.04526	0.7
314.12277	0.5
321.04138	2.3
323.05630	8.6
323.09341	33.8
324.06223	1.0
324.09766	3.9
325.14639	1.9
336.10077	0.7
337.10867	7.4
338.11002	0.6
342.04077	1.0
349.10800	1.4
351.08804	31.6
352.09259	5.7
353.10254	1.6
365.10355	21.7
366.11090	18.4
367.11893	5.6
439.13989	2.2
441.36197	1.2
467.33850	0.9
485.35217	0.7
512.25562	1.0
512.76257	0.7
528.25934	0.7
528.33228	2.6
528.77649	0.9
529.17291	100.0
530.17609	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	529.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.8
57.03135	0.8
57.03391	2.6
59.00997	1.2
59.01320	14.8
61.51674	0.6
61.98722	4.9
65.00270	1.3
66.41395	0.6
67.01860	0.6
68.99773	0.7
69.03395	0.7
71.01270	8.0
71.04946	1.3
72.99257	2.2
73.02908	3.5
75.00807	0.8
78.95842	0.8
79.75740	0.7
81.03376	0.7
82.27841	0.9
83.01348	2.1
83.04971	1.6
85.02920	3.3
85.06557	0.8
87.00772	3.7
89.02340	4.1
93.03403	1.4
95.01363	1.3
95.05004	2.1
96.96011	2.1
97.06570	2.3
99.00842	2.2
99.04462	1.7
101.02349	4.5
108.02172	2.3
109.02871	4.0
109.06585	2.5
111.04432	3.6
113.02458	3.2
113.06065	1.5
117.03408	0.9
119.03428	1.0
119.04993	1.4
121.02953	2.8
121.06576	1.5
123.04527	2.9
123.08163	2.2
125.02346	3.6
125.06084	1.5
125.09722	1.9
127.07671	2.7
133.02977	3.0
133.06633	2.8
135.04448	4.2
136.05241	6.5
137.02454	2.6
137.06068	2.0
139.07707	1.2
141.09212	1.0
147.04468	1.3
148.01634	1.4
149.02480	2.2
149.04497	0.9
149.06178	0.8
151.00414	1.3
151.03917	1.1
151.07585	26.6
152.01175	2.2
152.08052	1.2
153.05580	2.1
157.27583	0.7
161.02484	1.5
161.04568	1.3
163.00531	0.7
163.04041	0.9
165.05589	1.9
167.18687	0.7
169.08702	2.1
171.04565	1.6
174.03229	0.9
174.99049	0.9
175.00285	4.5
175.04044	2.5
177.01961	0.9
177.05559	1.2
178.78807	0.8
179.05576	1.0
188.01212	0.9
189.05627	1.6
199.04190	1.0
200.01122	1.0
201.01994	2.8
203.03548	1.1
204.04295	1.7
205.05130	2.0
213.05698	1.2
215.03609	2.1
229.08676	0.8
232.03793	1.1
233.04572	3.8
237.05536	0.8
239.03625	1.4
249.05699	0.7
253.05003	1.7
255.03033	1.3
269.04651	2.7
270.05359	1.1
277.08969	0.9
280.07422	1.0
281.04614	3.0
282.05078	1.1
283.02670	1.9
283.06155	1.0
284.03354	2.3
293.04507	1.0
297.04111	1.8
298.04959	2.4
299.09396	0.9
305.04865	0.9
305.08231	1.3
309.04123	11.8
309.07346	1.3
310.04791	2.9
311.09381	1.3
321.07941	2.0
322.04773	0.9
323.05740	3.3
323.09457	2.5
324.06186	0.8
325.10846	2.2
330.03918	2.8
331.04376	0.9
335.05640	1.2
337.07153	2.1
338.08072	1.0
339.08838	9.8
340.09210	1.4
349.07214	1.6
351.09232	1.0
352.05795	1.3
365.06641	1.1
366.07346	5.8
367.08282	100.0
368.08612	11.1
409.09134	1.5
424.07947	1.3
439.10165	8.1
440.10791	1.2
441.36108	1.3
467.34271	14.0
469.31949	1.6
483.33194	0.9
484.33765	10.1
485.35318	18.4
505.10501	0.9
511.33456	1.3
528.32703	2.4
529.13477	58.8
529.34613	16.7
530.13672	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	529.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33963	0.3
55.01590	0.2
57.03133	0.5
57.03450	1.3
59.01038	1.8
59.01377	6.0
61.53717	0.2
61.98831	1.3
64.72592	0.2
69.38548	1.9
69.38971	0.6
71.01403	2.6
71.04652	0.3
71.04995	0.6
72.98956	0.4
72.99308	0.6
73.02963	1.1
76.54281	0.3
81.03468	0.4
83.00943	0.3
83.01382	0.5
83.05047	1.1
85.02428	0.4
85.02994	1.6
85.06588	0.5
87.00922	1.6
89.02477	0.9
89.92249	0.3
93.03468	0.6
95.01394	0.4
95.04514	0.3
95.05080	0.7
96.96009	0.4
97.02978	0.3
97.06089	0.3
97.06650	1.1
99.04579	1.2
101.01780	0.6
101.02496	1.8
106.30005	0.2
108.02235	0.5
109.03023	1.0
109.06665	1.6
111.04598	1.3
111.08195	0.7
113.02516	1.4
113.06115	0.6
113.99628	0.3
115.00458	0.5
117.03581	0.3
119.03510	0.4
119.05085	0.3
121.03024	1.1
121.06638	0.5
123.04633	0.6
123.08270	1.1
124.01697	0.4
125.02536	1.9
125.06126	0.5
125.09731	0.5
127.07727	1.0
133.03024	0.4
133.06686	0.8
134.03810	0.4
135.04611	0.8
135.08255	0.8
136.05237	2.6
137.01602	0.4
137.02573	1.4
137.06099	0.7
139.04066	0.6
139.07722	0.5
141.01981	0.3
141.05722	1.0
141.09375	0.3
142.63821	0.3
143.03499	0.3
148.01730	0.5
149.02547	1.0
151.00415	0.6
151.04105	0.4
151.06480	0.6
151.07590	11.2
152.01213	0.7
152.08102	0.6
153.01996	0.5
153.05664	0.8
153.09314	0.3
155.07219	0.3
160.01691	0.4
161.02553	0.4
161.04616	0.6
163.04099	0.4
165.05701	0.3
169.08824	0.9
171.04556	0.4
175.00427	0.6
175.04121	0.5
177.02010	0.6
179.07295	0.5
187.04086	0.3
189.05705	0.3
193.05110	0.3
199.04005	0.4
200.01199	0.3
201.01950	2.6
201.03464	0.3
202.02727	0.4
212.04817	0.3
215.03615	0.9
219.03149	1.0
219.43987	0.3
233.04657	0.4
239.03468	0.4
240.04416	0.6
241.05014	1.8
243.03113	0.6
253.05217	0.6
258.05518	1.0
259.06168	0.6
261.05789	0.5
269.04752	0.8
277.05347	0.6
279.03207	1.1
281.04660	0.8
284.03293	0.5
290.05951	0.5
293.04660	0.6
295.06100	0.6
296.07233	0.3
305.04733	3.5
305.08209	0.7
307.02850	0.3
307.06442	0.5
309.04160	3.5
310.04810	1.3
319.06168	0.7
321.04199	0.7
322.04987	0.6
323.05740	6.0
323.09357	1.2
324.06326	1.2
325.07321	0.4
333.04257	1.1
334.05078	1.4
335.05554	0.4
337.07275	1.2
339.08713	0.9
347.05676	1.6
348.06329	0.4
349.07291	3.4
350.07492	0.4
351.05154	6.9
351.08844	0.6
352.05899	8.1
352.10129	0.5
353.06335	1.2
365.06580	2.1
366.07373	2.8
366.11362	0.5
367.08286	100.0
368.08615	11.9
439.10263	0.4
441.35944	0.7
466.32428	0.4
467.34479	5.3
484.33884	3.9
485.31805	3.3
485.34290	4.4
511.32901	0.6
528.31970	1.1
529.13379	17.2
529.33105	7.8
530.13788	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	527.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
61.98699	20.1
69.83336	57.9
98.20567	13.8
108.57171	13.7
127.03895	20.8
243.85428	12.4
255.23413	18.9
277.36758	12.7
305.24731	23.6
404.04492	12.0
449.33026	13.6
527.29779	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3008
Annotation	Milbemectin
Peak:m/z	Relative Intensity
53.08500	23.6
59.01261	90.0
61.98724	27.7
67.82170	27.8
71.54408	57.3
76.65472	25.7
77.43346	26.0
92.79047	25.2
96.95945	41.1
105.24799	25.8
124.24612	25.6
128.45177	23.2
154.42648	28.0
233.41246	29.5
255.23271	49.2
291.20032	33.5
326.92926	26.1
471.53217	28.7
527.30182	100.0
551.78210	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26961	0.4
55.07912	0.5
57.03337	19.0
59.01266	14.5
61.98719	44.3
71.01275	6.8
72.99214	1.4
73.02831	2.8
75.00748	0.7
81.03347	0.6
83.01272	3.4
85.02834	2.8
87.00763	1.8
89.02319	3.9
95.01252	0.9
95.04935	0.4
96.95975	0.5
97.06484	0.5
99.00784	0.8
99.04422	9.3
101.02334	4.8
107.01323	0.7
108.02092	1.0
108.29653	0.5
109.02891	1.0
113.02370	3.0
119.03405	1.6
119.04926	1.6
121.02889	3.0
123.04432	0.9
124.01591	0.7
125.02369	94.3
126.02695	2.9
133.02911	0.8
133.66354	0.5
134.03683	1.4
135.04424	1.8
137.02350	1.9
139.00298	0.5
139.03932	0.8
142.34630	0.5
143.03426	0.6
148.01576	0.7
149.02380	4.1
149.04396	0.6
150.03131	0.5
151.00291	1.4
151.07597	1.2
152.01050	0.7
153.01837	0.6
161.02405	0.8
161.04488	1.8
163.11333	0.5
164.01259	0.5
164.04730	0.9
165.01866	2.1
165.05473	0.7
166.05116	0.5
167.03441	0.8
175.03951	0.7
176.01102	2.3
177.01892	100.0
178.02246	5.8
179.05637	1.1
179.07066	0.8
188.04764	0.5
190.02692	0.5
191.03407	0.8
193.05020	1.6
197.04140	0.4
203.03735	0.5
205.05075	0.8
206.05785	1.0
221.08218	0.7
223.06018	0.9
265.07153	1.8
271.06271	1.3
289.08340	0.8
297.08331	0.5
303.05301	1.2
309.03998	0.5
309.08115	0.5
323.05557	0.5
323.09265	1.1
336.97617	0.5
339.07272	47.1
340.07718	3.9
355.67337	0.6
367.08289	1.1
380.11606	0.8
385.18658	0.5
388.04910	0.5
408.10965	3.0
465.10471	56.9
466.10742	6.8
467.29962	0.6
483.33264	2.0
484.33664	1.3
485.31262	0.9
527.31525	1.9
528.14594	3.8
528.31732	0.5
529.13489	1.8
529.20813	0.9
529.30280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.2
59.01261	13.4
61.98720	1.5
67.01762	0.6
68.99704	1.0
69.03334	0.8
71.01272	13.9
71.22419	1.2
72.99198	5.5
73.02834	0.9
75.00760	15.3
83.01255	0.9
85.02840	16.5
87.00768	6.4
89.02328	3.4
89.87224	0.7
91.03938	0.7
93.03361	1.0
95.01288	4.8
95.17058	0.6
97.02887	0.6
99.00774	8.5
101.02322	0.7
103.00281	1.8
113.02355	22.7
115.00283	1.8
117.01843	2.3
129.01863	1.9
157.01295	1.0
175.02386	3.1
205.07172	0.6
206.18759	0.6
231.05141	2.1
249.06190	16.7
250.06413	0.9
267.07285	2.6
275.20145	0.8
277.21774	61.4
278.22128	5.4
489.35794	1.6
509.27740	2.9
527.28723	100.0
528.29059	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	527.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12067	0.7
55.01757	0.9
57.03331	1.8
59.01268	14.2
61.76270	0.7
67.84060	0.8
70.82890	2.2
71.00906	1.3
71.01273	17.4
72.99205	4.9
73.02817	1.0
75.00766	17.1
78.07827	0.7
79.19934	0.8
79.89121	0.7
79.99242	0.8
80.16776	0.8
81.53905	0.7
83.01288	1.4
85.02843	20.0
87.00766	8.1
89.02344	4.6
89.51252	0.7
91.03898	0.9
92.99525	0.7
95.01281	5.6
99.00768	7.6
103.00272	2.9
111.00771	0.8
113.02351	29.7
115.00257	2.2
117.01849	2.2
129.01875	1.7
131.03413	0.9
157.01320	1.4
158.46802	0.7
175.02437	4.1
205.07202	1.7
217.90567	0.7
223.08258	1.8
231.05171	1.0
249.06175	7.0
267.07315	7.0
277.21783	51.8
278.22183	4.6
391.97153	0.8
459.80420	0.8
460.31573	0.8
509.27609	2.4
527.28735	100.0
528.29132	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	527.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60951	1.8
59.01265	9.4
61.98708	4.9
62.19159	1.7
67.63847	1.8
67.95939	1.8
69.55813	13.5
71.01252	7.8
71.04889	3.5
73.02825	2.3
83.04900	2.2
85.02836	2.4
87.00755	5.2
97.02834	4.9
97.06483	2.4
99.00278	2.0
99.00784	22.0
99.04449	1.9
101.02340	2.5
109.06470	3.6
111.00800	2.8
123.08054	2.8
125.02335	4.1
125.09644	9.3
129.01865	3.0
135.04468	2.9
145.11079	1.9
163.11215	15.3
165.12764	6.7
171.10191	2.7
181.12321	20.4
183.13864	47.6
184.14191	2.4
194.98912	1.9
197.11757	2.1
199.13310	7.3
201.09084	2.3
207.10263	30.9
208.10527	2.1
209.11804	7.8
210.17523	1.7
225.11334	53.7
226.11655	3.3
227.12894	11.4
243.10179	2.4
243.12436	27.9
244.12654	2.2
253.09193	3.4
291.19717	27.5
292.19913	4.1
299.14963	6.6
301.16583	8.0
317.16132	15.3
321.07721	4.5
323.13031	5.1
349.07117	5.2
350.08017	7.4
363.08878	2.6
365.10355	22.3
366.10571	3.0
483.29642	3.5
509.27307	4.9
517.75580	2.2
527.28577	100.0
528.28870	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	527.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05632	0.3
57.03302	0.8
59.01263	5.2
61.98711	1.8
65.03820	0.4
67.01746	0.4
69.03328	0.3
70.12040	1.4
71.01273	1.8
71.04876	1.0
72.99162	0.3
73.02801	0.9
75.00735	0.4
80.02560	0.4
83.01261	0.5
83.04922	1.8
85.02829	0.9
87.00779	7.3
89.02312	0.4
93.03356	0.3
95.01260	0.8
95.04903	0.6
97.02837	0.6
97.06459	0.8
98.19799	0.3
99.00732	1.0
99.04419	1.6
99.07964	0.3
101.02321	0.8
101.05967	0.4
108.02068	2.1
109.02156	0.5
109.02859	7.4
109.06435	0.6
111.00742	0.6
111.04440	2.5
113.02318	1.0
121.02865	4.1
123.04401	0.6
123.08032	1.0
125.02336	0.5
125.06028	0.6
125.09634	0.3
127.03880	0.9
127.07585	0.5
129.01859	0.5
130.04059	0.4
131.03358	0.4
133.02890	3.2
134.03609	1.2
135.04391	1.2
137.02362	0.4
139.00212	0.3
141.09117	0.6
145.02859	1.1
145.06461	0.3
146.03618	1.1
147.04372	0.8
149.06039	0.4
151.07536	0.7
153.05438	0.4
158.03702	1.4
159.04404	0.9
161.05951	0.7
163.07559	0.4
163.11186	0.8
171.04465	0.6
171.08051	0.3
171.10114	0.6
172.05293	0.3
173.05984	0.8
174.06798	0.4
175.07547	1.0
177.01711	0.3
177.09174	0.5
178.02576	0.6
178.11722	0.3
179.08588	0.3
181.06458	0.5
181.12277	1.1
183.04436	0.8
185.06053	0.6
187.07625	0.7
189.09262	1.7
197.06052	1.7
198.06657	0.4
199.07683	1.7
199.13423	0.4
201.09192	2.7
202.09546	0.3
203.51224	0.3
207.10178	1.1
208.05243	0.4
209.06036	1.8
209.11713	1.6
210.06783	0.5
211.03941	0.8
211.07576	0.8
212.04787	0.6
213.09206	1.1
214.09801	0.4
221.06105	0.4
222.06804	0.4
223.07680	2.9
224.04762	1.2
224.08244	0.4
225.05563	3.8
225.09341	0.4
225.11259	1.9
226.06033	0.5
227.12866	0.5
233.06264	0.4
235.07687	0.9
237.05542	0.7
239.07216	2.3
243.12430	0.7
249.05559	1.5
250.06300	0.6
251.03514	0.4
251.07117	0.8
251.10672	0.5
252.04283	1.2
253.05135	3.4
253.12297	0.4
254.05881	2.5
261.05585	0.4
263.10831	0.8
264.04266	1.1
265.05118	1.2
266.05795	0.6
267.06680	26.6
268.04239	0.6
268.07159	3.9
269.04526	0.4
277.05170	0.4
277.12354	0.5
278.05255	0.4
278.13138	0.6
279.06726	9.6
279.10193	1.2
279.13638	0.8
280.07196	1.2
281.11841	0.5
291.19803	0.4
293.08545	0.3
295.13156	0.4
299.14828	0.4
305.11890	1.3
306.12091	0.3
307.09845	3.2
308.10577	4.0
309.11035	0.3
317.16071	0.8
321.11325	1.5
322.12161	50.3
323.12927	100.0
324.13293	10.0
365.10117	0.6
365.14090	0.5
439.30008	0.7
439.34695	1.2
455.33987	0.7
465.32324	1.0
467.17459	0.4
483.33279	4.5
484.33896	0.6
511.25513	0.5
517.76392	0.5
526.75861	0.5
527.19434	38.3
527.32306	11.0
527.76227	0.5
528.19800	6.9
528.33167	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	527.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15345	0.1
57.03325	0.2
58.29459	0.1
59.01272	0.9
61.98719	0.5
64.21441	0.1
65.03854	1.0
67.01768	0.6
69.03335	0.2
69.24239	0.4
69.24666	0.6
71.01276	0.5
72.99194	0.1
73.02833	0.1
76.22125	0.1
79.05417	0.2
79.37650	0.1
83.01274	0.2
85.02839	0.3
87.00777	0.2
89.89607	0.1
91.05432	3.7
92.05756	0.1
93.03357	0.8
95.01279	0.5
96.99254	0.1
97.02848	0.4
99.04401	0.2
101.02287	0.1
105.06979	0.1
107.04945	0.3
108.02071	1.3
109.02860	11.6
110.03216	0.3
111.00793	0.3
111.04391	0.1
113.02336	0.3
117.07037	0.2
118.16563	0.1
119.04987	0.2
121.02871	8.8
122.03159	0.5
123.04430	0.3
125.02354	0.2
129.01868	0.2
129.07037	0.2
130.04146	0.2
131.04959	0.1
131.08601	0.3
133.02890	0.7
133.06525	0.5
134.03693	1.1
135.04448	36.5
136.04774	1.6
136.43774	0.1
137.06096	0.1
139.00366	0.1
141.07040	0.3
143.04985	0.2
143.08578	0.1
144.05760	0.2
145.02852	0.2
145.06543	0.5
146.03667	0.2
147.04459	2.2
147.08093	2.8
148.04939	0.1
148.08411	0.2
149.02361	0.2
149.06007	1.1
150.06328	0.1
155.08649	0.2
157.06531	0.3
157.10161	0.6
158.03674	0.2
159.04468	1.0
159.08121	0.5
160.05186	0.3
161.06013	1.9
162.03203	0.1
162.06526	0.2
163.03900	0.2
163.07619	0.3
169.06487	0.6
171.04491	1.5
171.08044	0.3
172.05260	0.9
173.06033	1.9
174.03091	0.2
174.06807	0.9
175.04163	0.1
175.07610	5.4
176.07915	0.3
177.05510	0.1
177.09114	0.2
178.02640	0.2
183.08092	0.3
185.06042	2.4
185.07692	0.2
186.06732	0.4
187.07619	10.5
188.04823	0.1
188.08035	0.8
189.05658	0.5
189.09186	7.0
190.09537	0.6
191.07214	0.1
195.08006	0.1
197.06105	0.5
198.06775	0.1
199.07607	1.7
200.07915	0.1
201.09190	28.1
202.06567	0.1
202.09529	2.2
203.07121	0.1
209.05994	0.2
210.06891	0.1
211.07616	0.2
213.09204	4.6
214.09908	1.1
215.07114	0.2
223.07758	0.2
225.05681	0.2
228.04333	0.3
237.12848	0.2
247.07741	0.1
253.05051	0.5
253.12321	0.4
254.05888	0.4
255.14049	0.3
261.12872	0.2
263.10837	0.3
264.11334	0.1
265.05243	0.2
267.06677	0.3
268.07434	0.4
277.12433	0.2
279.10788	0.1
279.13867	0.4
280.07410	0.3
281.11911	0.6
289.08731	0.1
290.09583	0.1
291.19678	0.2
295.13440	0.2
295.77612	0.1
305.11850	1.1
306.12335	0.2
307.09836	0.3
308.10641	0.6
321.11340	0.1
322.12183	0.2
323.12943	100.0
324.13266	11.9
344.99728	0.1
347.12851	0.3
365.14026	0.3
467.17447	0.6
468.17505	0.1
485.18378	0.4
511.25772	0.1
511.76215	0.1
517.75879	0.7
518.25726	0.2
527.19336	9.8
527.76929	0.2
528.19708	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	527.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.1
59.01266	1.4
61.98726	0.2
65.03853	0.9
67.01768	0.3
68.99687	0.2
69.03349	0.3
71.01261	1.2
71.07951	0.3
73.02857	0.4
75.00736	0.3
79.05431	0.2
83.01294	0.2
85.02835	0.7
87.00777	0.6
89.02335	0.4
91.05436	2.5
93.03372	0.6
93.31371	0.2
93.91202	0.1
95.01263	0.6
96.21728	0.1
96.99217	1.3
97.02850	0.6
99.00777	0.3
101.02354	0.5
105.07014	0.2
107.04935	0.2
108.02088	1.1
109.02862	9.8
110.03217	0.2
111.04431	0.3
113.02351	0.3
114.80410	0.1
119.04980	0.2
121.02869	4.3
122.03265	0.2
123.04450	0.2
127.03970	0.1
129.01866	2.9
129.02769	0.2
129.07036	0.2
131.08588	0.3
133.02873	0.2
133.06525	0.7
134.03658	0.5
135.04449	22.9
136.04752	0.9
141.07031	0.2
145.02907	0.3
145.06558	0.4
146.03671	0.2
147.04459	2.1
147.08067	0.3
148.05157	0.2
148.57156	0.1
149.06046	1.2
149.86667	0.2
155.08658	0.2
157.10199	0.4
159.04417	0.9
161.04695	0.3
161.06003	1.9
163.06285	0.2
163.07597	0.6
169.06566	0.4
171.03207	0.1
171.04436	0.8
172.05287	0.7
173.06050	2.0
174.06827	0.7
175.04070	0.2
175.07605	4.3
176.07933	0.2
183.04681	0.2
183.08145	0.3
185.06070	1.3
186.06728	0.3
187.07619	5.8
188.04733	0.2
188.07986	0.5
189.05464	0.2
189.09175	2.0
190.09596	0.2
193.11221	0.2
197.06085	0.3
199.03979	0.2
199.07645	1.6
201.09187	16.4
202.09570	1.4
209.06105	0.2
210.06891	0.2
211.07747	0.2
213.09192	3.4
214.09976	1.6
215.07228	0.3
228.04344	0.4
237.13025	0.2
239.10846	0.2
253.05185	0.5
253.12381	0.5
254.05745	0.4
255.13870	0.4
261.12900	0.2
263.10870	0.4
265.04947	0.2
267.06671	0.2
268.07440	0.3
279.13928	0.4
280.07468	0.4
281.11938	0.7
292.62823	0.1
295.13400	0.3
305.11975	1.1
306.12143	0.2
308.10678	0.8
323.12943	100.0
324.13269	12.0
412.66113	0.1
439.34927	0.2
462.25534	0.4
511.25568	1.8
511.75644	0.8
512.26086	0.2
527.14722	0.2
527.26355	2.2
527.33630	0.3
527.77118	0.9
528.27094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92116	0.2
57.03281	0.4
57.54907	0.1
59.01191	1.9
59.01514	0.2
60.01554	0.1
61.98640	0.4
65.00123	0.1
71.01185	0.7
71.04836	0.3
71.54543	0.2
72.99150	0.1
73.02765	0.3
75.00711	0.2
83.04834	0.6
85.02851	0.6
85.06414	0.1
87.00773	1.3
87.04315	0.2
89.02264	0.2
95.04844	0.1
97.06400	0.4
99.00721	0.3
99.04324	0.3
101.02279	0.3
107.04884	0.3
108.01997	0.2
109.02795	0.2
109.06445	0.3
110.30310	0.1
111.04427	0.9
113.02289	0.3
113.84814	0.1
113.86247	0.1
119.89993	0.1
121.02868	1.1
121.16602	0.1
121.96948	0.1
123.04416	0.1
123.07982	0.3
125.02297	0.1
125.05988	0.2
127.03809	0.3
131.04832	0.1
133.02773	0.3
139.03802	0.2
141.09044	0.3
148.00525	0.1
148.01573	0.9
149.02325	0.3
149.05922	0.2
151.07477	0.3
165.05440	0.2
171.04289	0.1
173.05971	0.2
185.02237	0.1
187.13353	0.2
189.01898	0.1
189.05415	0.1
197.06023	0.3
199.03874	0.2
201.01849	0.1
201.14647	0.1
213.05563	0.3
214.02625	0.2
215.03317	0.4
216.03966	0.2
217.05013	0.7
224.04701	0.2
225.05597	0.2
226.02618	0.4
227.03423	0.7
240.04402	0.6
241.05086	3.4
242.05624	0.3
243.02951	0.4
249.09196	0.2
257.08282	0.1
261.08945	0.1
263.07101	0.3
265.05032	0.1
265.08807	0.2
271.02469	0.4
275.07239	0.2
277.08707	0.4
278.09283	0.2
279.06674	0.2
289.08865	0.2
290.05801	0.1
291.06824	0.6
293.08185	0.7
294.05304	0.1
295.02719	0.2
295.05597	0.2
303.06934	0.2
304.07275	0.1
305.08221	1.1
306.08914	0.2
307.02615	0.2
307.06094	0.7
309.04117	2.7
310.04382	0.2
320.03320	0.1
321.07709	1.8
322.08276	0.3
323.08942	0.1
331.06219	0.2
332.06979	1.6
333.07727	2.9
334.08231	0.3
335.05655	3.6
335.09286	0.2
336.06024	0.4
336.09781	0.1
347.09210	0.2
348.06369	0.2
349.07236	11.4
350.08005	32.9
351.08368	3.6
363.12759	0.1
365.10358	100.0
366.10696	12.8
437.12589	0.2
439.34512	0.4
455.34161	0.2
465.32394	0.4
467.34015	0.5
482.31937	0.2
483.33444	2.3
526.31140	0.2
527.15356	1.5
527.32532	4.6
527.76935	0.2
528.16956	0.2
528.32990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1572
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
57.03372	0.4
59.01319	2.3
61.98770	0.9
65.00272	1.2
68.99760	0.3
69.03382	0.2
71.01347	1.0
71.04940	0.4
71.60067	0.4
72.99255	0.2
73.02898	0.5
83.01335	0.4
83.04920	1.6
85.02901	0.6
85.06532	0.3
87.00766	2.0
89.02380	0.3
89.03948	0.7
92.68807	0.2
93.03439	0.5
95.01382	0.3
95.05000	0.5
97.06555	0.6
99.04502	0.7
101.02407	0.3
101.06067	0.4
103.05506	0.4
107.04989	0.3
108.02160	0.4
109.02933	0.6
109.06579	0.6
111.04425	2.3
111.08129	0.3
113.02432	0.4
116.34650	0.2
117.03451	0.3
119.05024	0.2
121.02889	1.1
121.06514	0.2
123.04464	0.4
125.02441	0.6
125.06092	0.6
127.04005	0.9
131.04938	1.6
133.02882	6.2
134.03304	0.3
135.04446	0.2
136.98737	4.2
137.02419	0.3
141.09251	0.2
143.05049	0.3
144.05811	0.3
145.02994	0.6
146.03737	0.3
147.04486	0.2
148.01637	0.5
149.02426	0.6
149.06116	0.3
150.03120	0.2
151.00378	0.3
151.07681	0.4
152.01134	0.2
155.05081	0.6
157.02960	0.4
157.06581	0.5
159.03337	0.2
159.04448	1.1
160.05225	0.5
161.02400	1.0
163.07581	1.6
171.04613	0.7
172.05309	0.9
173.02495	0.8
173.06070	0.8
174.03188	0.3
175.04019	0.6
177.01973	0.6
185.02568	0.2
187.04102	0.7
187.07674	0.4
188.04697	1.6
189.05505	0.3
197.06158	0.3
199.04074	0.9
200.01178	0.2
201.01895	2.5
202.02754	0.3
203.03435	0.5
203.07259	0.6
205.08755	0.3
207.10329	0.3
209.11917	0.3
215.03497	0.6
216.04269	3.2
217.04991	0.4
225.11417	0.2
227.03574	0.6
229.01460	0.3
229.05061	0.5
230.02205	0.2
231.06635	21.4
232.07063	1.3
235.07797	0.3
239.03574	0.3
241.05127	0.6
251.03590	0.3
251.07234	0.5
261.05756	0.2
263.07153	1.6
264.07843	0.3
265.05130	1.1
265.08719	0.4
267.03162	0.5
275.07483	0.3
277.08847	0.7
279.03180	0.5
279.06668	0.7
279.10077	0.3
280.07593	1.3
281.04745	0.4
287.07257	0.2
291.06741	0.7
293.08353	0.7
294.08960	0.4
295.09799	4.5
296.10214	0.3
297.11472	0.3
303.06686	0.4
305.08203	2.1
306.05740	0.3
306.08807	1.2
307.06229	0.5
309.04169	0.3
309.11234	0.4
317.07962	0.3
319.06134	0.5
321.07755	7.2
321.11328	0.7
322.08252	1.8
323.05554	0.3
323.09143	0.3
331.06357	0.5
333.07800	0.9
335.05777	1.2
337.10876	3.9
338.11194	0.7
349.07217	8.2
350.07907	4.7
351.08286	0.3
364.09515	0.7
365.10352	100.0
366.10699	11.0
399.27716	0.3
407.11328	0.7
422.10059	0.5
437.12390	2.7
438.12943	0.3
439.34964	1.0
465.32224	0.8
467.13400	0.4
483.33414	3.4
526.31213	0.3
527.15540	11.4
527.32422	8.7
528.15808	1.8
528.32727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.2
56.49799	0.4
57.03331	2.2
58.00484	0.8
59.01266	30.4
59.40525	0.4
61.98717	16.2
68.99667	0.5
69.03337	2.1
69.27638	4.5
71.01270	37.6
72.01591	0.8
72.99197	2.8
73.02835	16.4
75.00755	1.4
75.26295	0.4
80.96407	1.9
81.03350	1.3
83.01279	9.3
83.04895	0.5
85.02840	16.7
85.03362	0.8
87.00774	3.0
88.37811	0.5
89.02332	7.5
92.35237	0.5
93.03341	3.5
95.01288	3.4
97.02861	3.6
99.00779	4.1
99.04416	0.9
101.02345	29.4
103.03914	5.2
108.02068	1.5
109.02855	1.7
111.00777	1.0
113.02360	12.5
113.84765	0.5
114.05497	1.2
115.03931	0.7
119.03433	2.8
123.04488	0.6
125.02378	8.3
127.03944	0.7
129.01872	0.6
131.03421	0.6
135.04425	0.6
136.01613	0.8
137.02374	8.9
139.00311	0.6
143.03436	2.3
145.02859	0.6
145.04971	1.3
147.04456	0.5
151.00272	0.8
151.03903	1.1
152.00995	1.1
156.06723	0.6
157.12294	1.0
159.02927	3.1
161.02487	1.0
161.04503	14.6
161.05843	0.6
161.99922	0.4
163.03955	0.6
163.06067	4.2
164.98563	0.6
175.03905	0.6
179.03477	3.1
179.05508	0.5
190.02670	0.6
205.05151	0.5
205.07071	0.6
209.11763	1.2
211.13531	0.8
229.07062	0.8
239.05605	1.5
242.69156	0.5
247.08237	2.3
307.10434	3.8
319.17700	11.6
320.17905	0.6
347.91650	0.5
395.99051	0.5
465.23489	100.0
466.23859	11.6
509.22595	0.6
525.16376	3.3
525.23499	9.6
525.30103	0.5
526.16632	0.8
526.23553	1.8
539.16571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.8
57.03333	1.9
58.00470	0.7
59.01267	26.3
61.98699	2.1
67.01766	0.5
67.95135	0.4
69.03336	2.2
71.01272	29.7
71.59237	0.5
71.59673	0.6
72.01584	0.7
72.99198	2.3
73.02442	0.9
73.02835	12.7
75.00764	3.6
81.03371	0.6
82.02878	1.0
83.01279	8.9
85.02840	13.8
86.03181	1.0
87.00771	2.2
89.02342	4.2
93.03347	1.2
95.01286	5.3
96.95898	0.6
97.02866	1.6
99.00782	4.2
99.04459	1.2
101.02348	26.4
103.03904	2.1
104.05627	0.5
108.02113	0.5
109.02866	0.7
110.02411	0.5
111.00777	1.8
113.02354	15.3
119.03426	1.4
119.04955	0.8
121.02842	0.8
123.04430	0.7
125.02361	6.0
127.03861	0.6
129.01868	0.9
135.04465	1.0
137.02411	3.0
139.00282	3.3
139.01366	0.9
143.03427	1.4
150.03162	0.7
152.01125	0.5
153.01938	0.6
157.12277	0.7
159.02954	2.6
160.03972	1.0
161.02446	0.9
161.04492	17.7
161.07130	1.1
162.04935	0.5
163.06065	1.8
166.05133	0.5
167.03427	0.6
177.01884	0.6
179.03432	1.4
204.07735	0.6
205.03482	0.8
229.07013	0.5
230.09264	0.7
247.08226	0.8
287.05756	1.1
301.08310	0.6
307.10352	1.0
319.17667	19.7
319.21454	1.1
320.12146	0.6
320.17847	0.7
338.13651	2.7
465.23465	100.0
466.23813	9.3
499.65494	0.5
509.22583	0.7
525.22113	3.6
525.29565	0.7
525.32086	1.0
526.22791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99088	1.0
59.01264	5.2
61.92185	1.1
61.98717	100.0
64.43867	1.1
71.53712	1.6
97.20007	1.0
111.67995	1.1
166.53853	1.0
305.33173	1.0
368.41510	1.1
464.33649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.0
57.03341	3.5
57.55312	0.5
58.00486	1.7
59.01265	36.2
61.98716	22.9
68.99694	0.5
69.03342	1.4
71.01269	29.3
71.59974	0.8
72.99191	3.2
73.02840	14.0
75.00770	1.9
81.03394	0.6
83.01272	8.0
83.04901	0.8
85.02841	13.4
87.00759	2.9
87.04426	1.0
88.98698	0.8
89.02344	11.9
93.03354	9.2
95.01294	2.2
95.25089	0.5
96.95900	0.8
97.02854	2.1
99.00774	4.7
99.04429	0.9
101.02342	34.4
102.02657	0.7
103.03923	4.3
105.81300	0.6
107.04904	0.7
108.02072	1.3
108.40318	0.5
109.02853	1.2
111.00810	1.2
113.02354	10.4
115.03893	1.3
119.03426	4.1
119.04922	0.6
119.70212	0.5
121.02894	0.7
123.04472	0.9
125.02345	4.4
127.03917	0.6
129.01834	0.6
131.03453	2.5
135.04428	1.4
136.01588	2.3
137.02377	23.6
138.02710	0.9
139.03983	0.6
143.03433	3.9
145.02977	0.7
145.05063	0.6
149.02396	0.9
149.04469	1.1
149.06062	0.5
151.00389	0.6
151.03964	1.0
152.01099	0.9
153.01978	0.9
159.02951	2.0
161.04504	6.1
163.03999	0.6
163.06084	12.5
164.06331	0.7
165.01927	0.6
175.03960	1.1
179.03468	9.7
179.05296	0.6
179.05725	0.7
205.07164	4.5
233.06625	0.8
239.05635	4.6
240.05835	0.7
247.08296	1.3
265.09344	2.4
299.05319	0.8
301.10828	0.9
307.10568	0.5
315.07297	0.6
319.17679	9.0
325.11575	0.6
333.19247	8.7
342.07193	0.8
428.68066	0.6
465.23474	100.0
466.23843	11.2
525.16370	1.8
525.23267	27.9
526.24384	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	524.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.9
58.88794	0.2
59.01268	4.3
60.01616	0.3
61.33043	0.2
61.98719	100.0
68.40340	0.2
71.01260	1.9
71.01891	0.3
72.01600	0.2
73.02834	0.7
75.00737	0.2
81.03344	0.3
83.01300	0.5
84.31498	0.2
85.02837	1.1
87.00776	0.8
89.02341	0.9
95.01296	0.3
97.06473	0.3
99.00811	0.4
99.04434	0.4
101.02342	1.4
105.86646	0.3
107.05003	0.2
108.02132	0.2
109.02869	0.3
109.06554	0.2
113.02382	1.0
119.04996	0.5
123.04537	0.3
125.02390	0.6
136.05251	0.3
137.02415	0.3
141.05518	0.3
151.00343	0.2
151.07648	0.3
153.01968	0.2
153.05521	0.3
161.04562	0.5
271.06177	0.3
284.03470	0.3
464.25201	0.9
467.47003	0.2
480.30496	0.3
481.32391	1.5
523.34955	0.4
524.20520	0.5
524.28259	0.3
524.35748	1.2
525.24719	0.3
525.31110	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2202
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.72464	0.2
55.98985	0.2
57.03330	0.3
59.01264	3.0
61.98722	0.4
68.43401	0.2
69.83364	1.1
71.01268	2.9
72.99191	0.2
73.02843	0.7
73.18433	0.1
75.00761	0.4
80.01792	0.2
83.01285	0.2
85.02857	1.0
87.00774	0.5
89.02338	2.2
89.80727	0.2
93.03349	1.1
95.01272	0.2
98.19878	0.2
99.00790	0.5
101.02343	1.7
108.02079	0.7
109.02858	4.5
111.04446	0.4
113.02382	1.1
114.45697	0.2
119.03436	0.4
119.04931	0.5
121.02871	11.5
122.03666	9.4
123.00781	0.4
123.04489	1.5
124.01578	1.6
125.02356	0.4
129.03365	0.7
131.03410	0.7
134.03656	1.1
135.04433	1.7
136.01570	0.2
136.05196	0.8
137.02370	2.5
143.03374	0.2
145.44292	0.2
146.03670	0.5
147.04456	4.9
148.05144	0.6
149.04520	1.6
149.05934	1.0
150.03108	0.3
151.03926	0.3
153.01865	0.2
154.02658	1.6
159.03008	0.2
161.02411	0.3
161.04515	0.6
161.06035	1.7
162.06856	0.3
163.03969	0.4
164.04736	0.5
165.05524	22.8
166.05879	1.3
168.04221	0.4
175.07581	0.5
177.05594	0.2
178.06259	0.5
179.07101	7.5
180.07460	0.4
191.05574	0.5
191.07184	0.6
199.03896	0.2
205.08720	0.2
209.08205	1.0
223.09749	1.2
281.12259	0.3
281.65860	0.2
285.11447	0.3
298.12189	0.8
301.10800	0.4
313.14563	1.1
315.12430	2.3
316.13095	0.8
317.13815	0.2
331.15366	0.3
343.15723	0.3
345.13290	0.3
346.14273	10.1
347.14606	0.9
361.16638	100.0
362.16995	11.8
362.20633	0.2
463.21689	1.7
523.13507	0.2
523.31281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2197
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01778	1.6
57.03333	1.9
58.00489	1.0
58.81598	0.2
59.01265	21.7
61.98724	0.9
68.99696	0.3
69.03354	0.5
71.01270	21.8
71.48628	0.2
71.59768	0.2
71.60166	0.3
72.01598	0.4
72.99195	2.2
73.02840	5.7
75.00786	0.8
75.05723	0.3
83.01283	4.0
83.04902	0.3
85.02845	9.8
85.99993	0.5
86.03204	0.3
87.00772	1.9
88.98704	0.6
89.02340	7.6
89.02895	0.4
91.01791	0.3
93.03344	1.2
95.01295	2.3
96.95918	1.3
97.02859	0.6
99.00790	2.4
101.02345	13.9
103.03906	1.4
108.02061	1.5
109.02866	5.0
111.00793	1.0
111.04403	0.4
113.02353	6.9
113.06037	0.3
119.03417	3.1
119.04934	1.0
121.01991	0.4
121.02121	0.2
121.02866	10.5
122.03660	11.1
123.00825	0.4
123.04468	2.4
124.01601	1.6
125.02377	1.5
125.06039	0.7
129.01888	0.3
129.03403	1.0
133.02863	0.5
134.03668	1.1
135.00821	0.4
135.04463	2.2
136.01616	0.3
136.05246	1.2
137.02374	3.7
137.05923	0.3
138.03065	0.2
141.01877	0.6
143.03488	0.4
145.02931	0.2
146.03706	0.9
147.04445	6.5
148.05197	1.0
149.02377	0.2
149.04694	0.3
149.06007	1.3
150.03166	0.5
151.00334	0.5
151.04002	0.4
152.01076	0.9
153.01907	1.4
154.02652	2.1
159.02980	0.7
159.04475	0.3
161.02365	0.5
161.04539	1.3
161.06039	3.0
162.06770	0.7
163.04013	1.1
163.06105	0.3
164.04752	0.9
165.05522	25.0
166.05843	1.3
167.07124	0.3
168.04323	0.4
172.05191	0.3
173.06055	0.9
174.06783	0.4
175.04024	0.3
175.07626	0.9
176.04774	0.3
177.05594	0.3
177.09204	0.3
178.06258	0.5
179.05592	0.5
179.07080	6.8
179.08557	0.5
180.07379	0.4
185.08104	0.3
190.02603	0.3
191.07133	1.5
193.08661	0.4
195.06625	0.4
209.08095	0.6
209.11731	0.4
223.09764	0.8
283.09656	0.5
285.11557	0.3
297.11533	0.4
298.12228	1.3
299.12946	0.8
301.10782	0.4
313.11166	0.3
313.14529	2.5
314.14987	0.3
315.07379	0.2
315.08939	0.3
315.12390	2.5
316.13101	0.8
317.16287	0.4
328.13171	2.1
329.14035	1.0
331.15436	0.5
343.11902	0.4
343.15573	4.3
344.15930	0.4
346.14273	9.8
347.14929	2.9
361.16647	81.2
362.12506	0.5
362.16992	8.9
370.39316	0.3
426.08679	0.3
463.21378	1.3
508.19287	0.3
523.21930	100.0
524.22284	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	521.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01569	0.2
55.01772	2.8
57.03337	4.1
58.00470	0.9
59.01266	19.1
60.01595	0.4
61.98718	6.3
64.37619	0.3
68.99736	0.3
69.03344	0.5
69.54520	1.7
71.01270	27.3
72.01623	0.3
72.99193	1.6
73.02838	10.8
73.14817	0.2
74.03166	0.3
75.00758	0.9
83.01278	5.7
85.02843	14.5
85.99979	0.3
86.03173	0.4
87.00768	2.3
87.04388	0.3
87.44456	0.2
89.02335	6.3
93.03370	0.5
93.06988	2.8
95.01286	2.8
97.02847	0.7
97.06506	0.3
99.00780	4.7
99.62951	0.2
101.02347	21.7
102.02697	0.4
107.04842	0.3
108.35972	0.3
109.02925	0.3
111.00789	3.0
111.08031	0.4
113.02359	11.1
114.02674	0.3
115.67462	0.2
119.03414	2.3
119.04867	0.3
121.42343	0.2
123.08092	0.3
125.02357	1.0
129.01839	0.9
131.03456	0.7
137.02371	1.4
141.01855	0.4
143.03430	1.4
143.10699	1.1
149.04443	0.5
159.02966	2.6
160.04045	1.3
161.03229	0.4
161.04507	6.5
162.04854	0.3
176.26451	0.3
179.05617	1.4
211.17021	0.2
229.18105	5.9
230.11661	0.2
230.18410	0.3
305.16074	0.4
329.26694	0.5
359.28110	5.7
360.28308	0.9
360.88092	0.3
391.23453	9.8
392.23770	1.1
417.24731	0.4
460.74298	0.3
461.31381	0.7
485.31589	0.3
491.32507	1.0
503.32471	0.5
521.33423	100.0
522.33795	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	521.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03337	1.6
58.00486	0.7
59.01265	12.5
61.98724	0.8
68.99670	0.2
69.03310	0.4
69.15679	0.2
71.01270	12.6
71.04871	0.5
71.54437	0.3
72.01593	0.3
72.99211	1.1
73.02833	2.9
75.00748	0.4
77.36007	0.2
83.01280	1.8
83.04887	0.6
83.39523	0.1
85.02843	5.7
85.06416	0.1
87.00777	1.1
87.04398	0.3
88.98654	0.2
89.02338	5.0
93.02782	0.2
93.03358	3.0
93.06984	0.3
95.01289	1.2
95.04889	0.2
95.53687	0.2
96.95887	0.2
97.02803	0.3
97.06465	0.5
99.00777	1.0
99.04383	0.2
99.08073	1.6
101.02349	9.2
101.05945	0.2
108.02048	0.2
109.02854	0.4
109.06536	0.2
111.00793	0.7
111.08049	0.3
113.02359	7.3
114.02680	0.2
115.03927	0.2
119.03423	2.6
119.04918	0.5
121.02876	0.2
123.04367	0.2
123.08101	0.2
124.01553	0.1
125.02332	0.5
127.07573	0.2
129.01854	0.2
129.09163	1.7
130.09305	0.2
131.03441	0.3
133.02914	0.2
134.20265	0.1
135.04402	0.3
137.02379	7.6
138.02699	0.4
139.11165	0.2
141.12779	1.1
143.03412	0.7
143.10698	0.3
149.02335	0.2
151.03839	0.1
155.10727	0.2
155.14316	0.4
159.02893	0.6
159.10214	0.3
161.04514	2.6
163.03922	0.2
163.11142	0.1
166.02722	0.2
169.12247	0.2
171.13843	0.2
179.05519	0.7
183.13864	0.4
189.36115	0.2
197.15434	0.3
201.14966	0.2
211.20674	0.2
223.20702	0.3
227.12793	0.2
229.18106	0.7
239.20195	0.3
241.21783	0.7
245.10530	0.2
251.20280	0.4
260.12943	0.4
269.21277	3.4
270.21597	0.2
271.19684	0.2
271.22858	1.0
285.20789	1.2
287.22339	100.0
288.22693	9.2
297.24344	0.3
299.22375	0.4
301.23901	3.4
302.24539	0.3
311.22388	3.1
312.23190	0.2
315.21835	12.5
316.22159	1.2
319.13312	0.2
323.22394	0.4
325.16663	0.2
329.23389	1.2
341.23331	0.4
341.27023	0.4
357.22913	0.6
359.28110	4.8
360.28604	0.3
373.21863	0.2
373.26208	0.3
391.23517	1.2
392.23761	0.2
441.72040	0.2
449.27704	0.3
461.31360	0.5
521.33514	25.2
522.09021	0.2
522.17035	0.2
522.33899	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	521.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73977	0.2
54.32111	0.2
55.01782	1.6
55.17830	0.2
57.03337	1.8
58.00459	0.9
59.01268	20.3
61.98695	0.8
69.03329	0.6
69.05016	0.2
70.09314	0.9
71.01272	16.8
71.04900	0.3
72.99183	1.9
73.02455	0.3
73.02834	4.3
75.00755	0.8
77.97947	0.2
83.01281	3.8
83.04909	0.3
85.02845	7.7
85.99973	0.6
87.00776	2.3
87.04424	0.3
89.01842	0.3
89.02342	5.5
93.03361	0.4
95.01303	1.2
96.95907	2.2
97.02827	0.6
97.06477	0.6
99.00787	2.1
99.08044	0.7
101.02349	11.5
109.02849	0.3
111.00799	1.2
111.08037	0.3
112.01541	0.2
113.02358	5.8
119.03416	2.2
121.02872	0.4
123.04412	0.4
124.01582	0.3
125.02374	1.3
129.09085	0.5
131.03409	0.3
133.02873	0.5
137.02324	0.2
141.12770	0.6
143.03430	0.7
143.10588	0.3
149.04410	0.3
159.02887	0.4
159.10248	0.3
160.03979	0.2
161.04529	1.6
164.80948	0.2
165.12791	0.7
179.05571	0.5
183.13884	1.3
185.11823	0.2
206.93097	0.2
227.12894	1.5
269.21277	2.4
271.22791	0.7
278.26440	0.2
285.20740	0.7
287.22348	26.6
288.22711	2.7
299.22415	0.4
301.23880	1.9
311.22314	1.3
315.21896	0.4
323.22366	0.3
323.25662	0.3
329.23505	1.2
341.23459	0.2
341.27097	0.5
359.28131	4.5
360.28513	0.5
401.18256	0.3
431.26566	4.8
432.26871	0.3
449.27655	100.0
450.28006	12.1
461.31400	0.6
477.27158	16.5
478.27554	2.1
503.21439	0.6
521.26050	1.8
521.33447	17.4
522.26489	0.4
522.33734	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	521.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98395	0.3
55.01776	3.1
57.03339	3.4
58.00478	1.6
59.01266	72.9
60.01608	0.7
61.02422	0.4
61.98708	1.2
62.99069	0.3
69.03345	1.5
69.25605	4.2
70.39001	0.4
71.01270	58.2
72.01606	1.0
72.99192	2.4
73.02837	19.9
75.00771	1.3
81.03368	0.4
83.01277	11.4
85.02846	23.2
87.00765	3.8
87.04433	0.4
89.01185	0.5
89.02339	15.2
95.01286	3.7
96.95900	1.1
97.02863	2.6
99.00783	8.3
99.04433	0.6
101.02348	39.7
102.02700	0.8
103.03910	4.5
109.02861	0.6
111.00803	0.4
113.02358	21.4
115.03931	0.8
119.03416	5.7
121.02898	0.4
125.02380	5.0
127.03967	0.5
129.01884	0.8
131.03418	1.1
135.04425	0.6
137.02354	0.5
139.00273	0.5
143.03444	4.1
145.05045	0.9
151.04079	0.5
159.02934	4.1
161.04501	23.2
163.06084	5.2
165.12874	0.4
171.10272	0.5
174.25053	0.4
179.05586	1.9
194.24655	0.4
199.17570	0.4
205.03578	0.5
205.07147	1.7
229.07048	0.9
229.18106	1.3
247.08258	1.3
255.86900	0.4
277.99866	0.5
299.09436	0.4
307.10352	1.2
315.18198	35.2
316.18539	3.0
341.27017	0.4
359.16760	0.5
359.28088	2.2
387.34467	0.4
406.80463	0.5
435.26254	0.6
458.68243	0.4
461.24051	100.0
462.24399	12.7
462.30685	0.4
477.26953	0.6
479.32425	1.0
505.23279	0.4
521.16217	0.4
521.33582	12.8
522.33765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.6
59.01263	22.2
59.68979	0.9
61.98730	1.2
70.00389	5.3
71.01269	100.0
72.01600	1.0
72.99197	16.3
74.02374	1.3
81.20332	0.9
82.44861	0.9
84.99963	0.8
85.02846	6.4
87.00748	1.2
88.98678	1.4
89.02333	16.9
90.70558	0.8
96.95940	1.3
98.20471	1.0
101.02343	9.7
111.81245	0.9
113.02332	7.8
114.55956	0.9
114.59544	1.0
115.00276	12.4
116.03436	1.4
116.92707	0.9
119.03416	9.6
125.02370	1.1
141.10155	0.9
143.03456	2.9
161.04503	3.7
179.05621	11.5
323.13773	1.2
405.21378	19.6
406.21707	2.1
449.20239	2.6
453.37347	1.0
503.21457	12.7
504.21808	2.8
521.22498	36.1
522.23108	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	521.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.1
56.70936	0.7
57.03341	3.7
58.00478	2.8
58.84424	0.6
59.01264	100.0
60.01596	1.0
61.98718	3.6
69.03340	1.4
69.96607	0.8
71.01270	49.4
71.04922	1.0
71.59393	0.9
72.99210	5.3
73.02835	16.6
75.00772	2.3
81.03373	1.0
83.01274	6.5
83.04923	1.0
85.02840	15.5
87.00780	6.8
87.04427	1.9
89.02338	38.7
90.02704	0.8
93.03362	15.7
93.03923	1.1
94.03681	1.0
95.01289	4.0
95.04916	0.7
96.95911	1.6
97.02870	1.2
97.06440	1.0
99.00780	6.4
101.02345	56.2
102.02699	1.1
103.03906	9.5
107.01311	0.8
107.04921	1.6
108.02077	3.5
109.02872	4.0
109.06481	0.8
111.00792	1.4
113.02360	16.8
114.02654	0.7
115.03935	2.6
119.03415	14.3
119.04845	0.6
121.02872	10.4
125.02376	5.2
127.03903	0.9
131.03419	5.2
134.03653	1.1
135.04449	1.5
136.01653	1.0
137.02380	13.9
138.02724	0.8
143.03441	9.0
143.10704	0.9
145.05008	4.3
149.02411	2.9
149.04465	1.2
149.05969	0.9
150.03181	0.7
151.00325	1.5
151.03967	2.1
151.11395	0.8
152.01077	1.1
153.01880	10.6
157.08649	0.6
159.02882	1.0
159.10223	1.1
161.04527	4.9
163.06075	46.1
164.06448	1.7
171.10149	0.8
175.03831	0.9
177.01961	0.7
179.05597	3.8
179.06946	0.7
185.11835	1.0
193.05138	0.7
197.06093	2.6
199.07751	1.1
205.07167	14.7
227.07138	15.0
228.07434	1.5
265.09308	5.0
269.04410	1.0
281.06961	1.4
293.08978	0.7
299.09323	4.4
315.18185	8.4
317.10318	3.1
359.15231	0.9
359.28174	7.8
360.28485	1.1
402.64401	0.8
403.30804	0.7
413.10968	7.4
414.11246	0.9
423.81396	0.7
457.94785	0.7
461.24039	74.3
462.24371	8.6
479.32196	1.3
521.16766	1.5
521.33551	38.2
522.33673	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	521.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59407	0.4
59.01274	2.1
61.98703	0.9
68.92247	0.5
78.95789	2.1
80.96242	0.5
101.28026	0.4
109.02853	0.8
121.02857	0.9
125.40129	0.4
133.02870	0.9
148.01593	0.8
149.02412	2.0
150.03116	0.9
152.99524	2.8
153.00606	0.4
153.99901	0.8
154.99959	1.3
161.02371	0.7
175.03900	0.5
177.01865	1.4
178.02693	0.4
187.07603	1.2
189.01837	0.8
195.08673	0.4
203.03447	1.2
204.16208	0.4
213.05518	0.5
215.03477	1.2
229.58665	0.5
239.07176	0.7
267.06674	0.8
279.06769	0.5
283.06232	1.2
295.06165	0.7
297.04001	1.6
298.04654	0.9
311.05740	4.2
312.06512	3.6
323.05655	11.0
323.09442	0.7
324.05930	1.4
325.07339	2.1
337.10883	0.6
338.18933	0.5
344.05441	9.5
345.05615	0.5
349.07153	0.7
351.08826	1.5
352.09189	0.5
353.10312	0.4
363.08688	0.4
365.10330	9.2
366.10693	1.2
379.11911	2.6
381.13702	0.6
414.09576	0.6
433.16663	2.0
449.16351	1.0
451.17743	15.9
452.18195	2.1
462.05350	0.4
475.26974	0.4
482.16135	1.0
482.55939	0.5
503.20871	3.2
504.21317	0.6
521.21906	100.0
522.22314	15.6
522.29248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28239	0.5
59.01259	2.4
61.98706	1.6
71.51578	1.0
77.20433	0.5
78.95798	6.0
80.82119	0.5
80.96220	1.7
89.98975	0.5
96.95909	0.7
96.96831	0.6
103.08285	0.5
114.38932	0.6
120.28774	0.5
133.02881	0.8
141.85626	0.5
142.12430	0.5
149.02399	2.5
150.03111	1.0
152.99519	9.7
153.99831	2.1
154.99980	4.8
161.02397	0.9
162.96167	0.5
173.05963	1.1
174.02982	0.5
175.03969	0.7
177.01894	0.9
189.01929	0.8
189.05592	1.7
201.01874	0.9
203.03499	1.5
215.03496	0.7
215.94931	0.5
217.04951	1.3
239.07126	0.7
240.08023	0.6
253.05106	0.8
267.06683	1.1
281.04807	0.6
283.06210	1.2
297.04135	1.4
298.04843	1.9
311.05688	10.9
311.16608	0.6
312.06430	4.0
323.05704	8.3
324.06003	1.2
344.05365	6.7
351.08783	8.0
352.09454	1.7
367.12067	2.6
391.11914	1.8
398.10086	1.4
414.09763	1.6
422.13654	1.1
432.22540	0.6
433.16794	0.7
433.22617	1.3
434.23032	1.8
435.14316	1.0
450.17188	0.8
451.17703	7.2
452.18335	0.9
482.15683	1.0
503.20654	2.2
504.20895	0.6
521.21899	100.0
522.22266	20.1
549.57642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01262	3.2
61.98722	0.3
71.01268	3.4
72.01591	0.2
72.99207	0.5
73.02836	1.2
75.00774	0.3
77.96181	0.2
83.01270	0.5
85.02842	1.7
87.00780	0.4
89.02335	1.2
93.03336	0.4
95.01266	0.5
97.02851	0.2
99.00790	0.5
101.02333	2.1
108.02067	1.1
109.02862	1.3
111.00810	0.3
113.02348	1.6
119.03419	0.3
119.04927	0.5
121.02870	3.4
122.03719	1.1
123.00803	0.9
123.04427	0.7
124.01559	0.8
125.02360	1.4
129.01801	0.2
135.04408	0.6
136.01559	0.2
136.05193	1.1
137.02379	1.5
137.05984	0.5
138.03146	0.3
139.03906	0.2
143.03386	0.3
143.04962	0.5
145.02904	0.3
145.06549	0.3
146.03625	0.4
147.04433	1.9
148.01596	0.4
148.05214	0.2
149.02385	2.0
149.06059	0.3
150.03163	5.9
151.00294	0.3
151.03888	0.7
152.01138	1.1
153.01862	0.7
153.05508	0.4
153.09174	0.3
158.03673	2.2
159.03046	0.3
159.04448	6.8
160.05243	23.8
161.02388	0.6
161.04494	1.1
161.05995	6.7
162.03142	0.5
163.03954	5.9
163.06038	0.3
164.04730	5.2
165.01842	0.4
167.03419	0.5
168.04245	0.3
173.06029	3.4
174.06772	0.3
175.07599	22.3
176.04744	0.6
176.07957	1.5
177.01891	0.3
177.05522	6.1
178.06310	5.5
179.03407	0.4
179.06882	0.4
190.02658	0.3
191.03427	0.3
191.07143	0.3
192.07846	0.6
193.05080	0.3
193.08653	2.3
195.06615	0.3
205.05009	0.4
241.05069	0.2
255.06601	0.3
269.04471	0.3
273.07635	0.5
284.03540	0.3
285.04050	0.7
299.12830	0.2
313.03564	0.5
314.04324	0.3
314.11682	0.6
315.08154	0.4
315.12323	0.4
326.04517	0.3
329.13998	100.0
330.14328	10.7
343.04587	0.7
344.05359	0.9
358.06970	0.6
359.08066	2.1
359.15039	4.4
360.07690	0.3
360.15472	0.4
403.23087	0.2
521.12921	4.4
521.26007	0.6
521.33252	0.6
522.13336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.2
55.70479	0.2
57.03323	0.6
59.01262	4.8
69.03339	0.2
69.27876	1.5
71.01271	4.1
72.99197	0.6
73.02834	1.0
83.01270	0.6
83.04907	0.2
85.02840	1.8
87.00779	0.4
89.02325	1.2
93.03356	33.3
94.03695	0.7
95.01264	0.5
98.20564	0.4
99.00774	0.7
101.02345	2.7
109.02854	0.3
113.02362	1.8
119.03384	0.4
125.02314	0.3
135.04457	0.6
137.02373	100.0
138.02711	3.1
143.03380	0.2
159.02812	0.2
161.04466	0.9
163.00258	0.2
229.18161	0.3
263.96878	0.2
269.10397	0.6
341.13928	0.2
357.13791	0.2
358.13794	0.2
359.14539	0.2
359.28128	0.7
373.25885	0.2
383.13510	0.5
401.14755	0.5
416.75522	0.2
425.08755	0.2
521.16602	4.9
521.33759	4.3
522.17047	0.6
522.33716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.3
71.01273	6.9
71.55251	1.3
71.65927	0.9
72.99209	3.1
73.02827	2.1
75.00764	32.8
78.95811	2.5
81.03371	2.0
85.02854	2.6
87.00769	4.3
89.02347	2.6
94.68071	1.1
95.07924	0.8
96.96860	3.4
99.00820	1.9
99.04418	1.7
135.18617	0.9
137.72554	0.9
143.03430	7.0
147.65746	1.1
161.04512	3.8
165.03987	3.6
179.05577	100.0
180.05919	3.8
209.06615	1.5
214.98546	0.9
270.08310	1.0
284.85785	0.9
290.96744	1.0
367.78854	1.0
376.95407	0.9
521.22363	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	15.6
61.98710	7.0
71.01269	8.2
71.52084	3.1
71.52487	2.6
72.99199	2.8
73.02840	2.8
83.43404	1.8
85.02822	4.8
89.02351	3.4
101.02352	3.1
109.02851	9.4
113.02362	2.9
121.02866	3.1
125.02315	3.2
135.04466	20.5
161.04518	1.8
167.70863	1.7
175.07620	3.0
187.07593	6.4
192.49077	2.1
201.09164	12.5
213.09245	2.2
323.12952	100.0
324.13364	10.0
368.09067	2.0
521.15649	31.7
521.27155	5.2
521.34802	3.6
521.76715	2.2
522.16644	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	521.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
59.01265	9.1
61.52119	0.6
61.98722	1.1
62.84159	0.7
64.09041	0.8
69.03345	1.4
70.39467	1.1
71.01270	6.3
72.99181	0.7
73.02829	2.2
75.00759	1.2
83.01318	0.9
83.04935	0.7
85.02854	4.2
87.00783	1.3
89.02332	2.8
93.03344	1.2
95.01258	1.3
97.02846	1.4
99.11279	0.7
101.02338	3.9
107.04906	0.8
108.02074	48.1
109.02881	14.2
109.03986	1.0
113.02359	2.1
119.01304	0.9
119.03432	0.9
119.04935	1.2
121.02894	4.0
123.00751	1.3
123.04462	1.6
125.02374	3.8
133.02882	1.1
135.04404	3.9
136.01611	7.1
136.07556	0.7
137.02025	2.9
138.02090	1.4
143.03430	1.4
147.00758	0.8
147.04425	1.4
148.01578	1.0
149.02368	13.6
149.05942	0.8
150.03169	1.6
151.00313	1.3
151.03952	13.0
152.01089	69.9
152.04280	5.9
153.01886	27.4
153.04416	1.6
161.02451	1.6
161.04439	1.0
163.03981	1.3
163.06049	0.9
164.04735	9.6
165.01941	1.1
167.03468	1.3
175.00302	5.7
175.04022	0.9
175.66533	0.6
176.01123	4.4
177.01822	2.0
179.03590	0.7
179.05611	0.9
179.07089	1.2
179.10649	0.6
190.02684	16.1
191.03467	9.5
192.04016	0.7
199.03951	0.8
205.05070	12.5
205.06956	0.9
206.05470	1.3
208.03798	0.9
209.04602	1.4
223.06149	7.4
239.80586	0.6
257.12936	0.7
273.97867	0.6
274.21991	0.7
283.02386	1.4
284.03363	4.9
297.06180	3.5
298.04852	0.9
299.05655	11.6
300.05997	1.2
315.07248	2.5
338.06644	0.9
344.12000	1.3
353.08743	5.9
357.13568	4.2
358.13843	6.9
359.14459	14.6
360.14896	1.1
461.10965	2.8
521.13080	100.0
521.33502	3.0
522.13470	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	521.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
57.03330	2.8
59.01264	14.1
61.98724	1.1
69.03342	0.7
71.01270	11.7
71.59999	0.4
72.99195	1.3
73.02837	3.5
74.68626	0.3
75.00752	0.9
79.29082	0.3
81.02897	0.4
81.03350	1.5
83.01288	2.4
85.02843	5.1
85.99954	0.3
87.00762	2.0
87.04411	0.4
88.98698	1.1
89.02334	4.4
91.01794	0.5
93.03371	2.3
93.07008	0.7
95.01295	2.0
97.02854	0.8
99.00797	1.4
99.04414	0.5
101.02349	7.1
107.01337	0.5
108.02077	43.0
109.02876	25.6
109.36853	0.3
110.03175	0.8
111.00789	1.0
113.01602	0.6
113.02353	5.9
119.01329	0.6
119.03413	1.4
119.04931	0.7
121.02870	1.5
122.03628	0.4
123.00817	2.3
123.04441	1.2
124.01581	0.5
125.02364	10.6
129.01935	0.4
133.02876	0.5
134.03639	0.5
135.00839	1.6
135.04439	1.6
136.01573	0.4
137.02382	4.9
143.03510	0.5
147.00833	1.1
148.01581	0.9
149.02405	4.9
150.03159	1.5
151.00299	1.2
151.03943	1.6
152.01091	54.1
153.01878	25.4
154.02222	0.7
155.03456	0.4
160.03937	0.9
161.02348	0.9
161.04462	1.8
163.03922	2.2
163.06104	0.6
164.04735	3.0
165.01898	1.4
165.05476	0.5
167.03444	1.6
168.04207	0.4
175.00314	7.7
176.01097	9.0
177.01836	1.1
177.05498	0.7
179.03540	0.6
179.05563	0.5
179.07150	0.4
181.04942	0.4
190.02678	20.4
191.03465	14.2
192.03871	0.6
193.01350	0.5
193.05141	0.5
195.02933	0.8
201.01584	0.4
205.05046	12.8
206.05444	0.7
207.02859	0.4
209.04559	2.6
217.01540	0.4
223.06136	2.3
229.18114	1.1
241.05130	0.4
247.53252	0.4
251.05673	0.7
256.03745	0.6
258.05374	0.4
271.06277	1.0
273.07788	0.8
283.02615	1.0
284.03296	2.1
285.04160	2.2
287.05505	0.5
297.06430	0.5
299.05630	1.2
315.07266	16.1
316.07614	1.5
353.08911	4.3
354.09451	0.6
359.15247	0.9
359.28308	2.1
367.10364	0.9
391.23422	1.3
431.09436	0.6
433.28207	0.6
453.05911	0.4
461.20511	0.6
477.14056	1.6
489.10410	1.1
520.32068	0.8
521.13086	100.0
521.33441	26.3
522.13434	15.4
522.19403	0.5
522.33868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64377	0.8
59.01269	9.1
60.99193	16.2
61.98737	1.1
65.31266	0.8
69.27113	7.9
71.01273	5.6
72.99176	1.2
73.02833	2.3
74.76215	0.9
75.00774	1.4
83.01260	1.6
85.02849	1.9
87.00774	1.0
88.98698	100.0
89.02338	2.1
93.03344	3.8
99.04394	0.9
101.02334	2.3
101.15475	0.8
106.68692	0.8
108.02057	1.5
109.02872	1.4
109.19843	0.9
110.83028	0.8
113.02390	1.3
117.03344	3.3
121.02890	1.8
123.04398	1.7
125.02265	1.0
131.03355	0.9
135.04460	1.9
137.02379	12.3
148.01540	1.0
149.02373	2.8
151.03923	1.4
153.01814	1.2
159.04460	1.3
161.02438	2.7
162.12430	0.9
163.03918	1.9
165.01875	2.1
167.03456	2.7
172.25346	0.9
179.03436	1.3
184.15251	0.8
191.03447	0.9
193.01620	1.0
219.06981	0.8
225.05630	0.9
244.38924	0.8
255.06677	1.3
268.03796	1.3
273.07596	2.6
281.04556	1.7
283.06146	15.4
284.06436	2.1
293.04559	0.9
311.05698	29.2
312.06082	2.5
323.05710	1.4
327.05090	1.1
329.13986	1.4
340.06027	1.5
341.06631	4.1
431.09875	35.7
431.14560	1.5
432.10492	5.4
521.13190	5.0
521.26349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68229	0.1
53.96247	0.1
59.01264	0.2
62.96290	0.2
73.97904	0.2
78.95792	43.8
94.54131	0.2
96.96861	5.7
98.20595	0.2
150.97951	1.6
152.99524	100.0
153.99847	1.4
169.40564	0.2
171.00586	3.3
184.00529	0.2
229.61890	0.2
240.02689	0.2
279.23456	1.0
287.63791	0.2
433.23676	23.8
434.23969	3.0
520.20679	0.3
520.26929	6.2
520.34515	0.4
521.20679	0.2
521.27759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
59.01264	3.6
61.98719	0.8
64.54053	0.2
65.00202	0.2
65.03850	1.3
67.01782	0.3
71.01263	1.5
71.33764	0.4
73.02831	0.6
79.62453	0.2
83.01276	0.9
85.02859	0.7
85.65804	0.2
87.00766	0.4
89.02357	0.6
91.05427	3.7
93.03339	1.3
95.01275	0.2
95.04939	0.2
96.95887	0.2
97.02863	0.3
99.00761	0.3
99.98193	0.2
101.02351	1.3
103.18840	0.2
105.06995	0.3
107.01280	0.4
107.04913	0.2
108.02077	0.6
109.02856	14.8
110.03227	0.6
111.00809	0.2
113.02312	0.5
114.49798	0.2
119.03467	0.3
119.04935	0.8
121.02866	10.8
123.04440	0.7
125.02385	1.9
133.02899	0.8
134.03683	1.1
135.04443	36.7
136.01595	0.5
136.04776	1.5
137.02351	0.4
147.04463	4.8
148.01596	0.8
149.06018	2.5
151.00276	1.1
151.03947	1.0
159.04448	0.8
159.08134	0.2
161.02399	3.8
161.04509	0.5
161.05986	0.6
162.03139	0.4
163.03838	0.3
165.01900	0.4
167.03465	0.8
173.02359	0.3
173.06047	0.6
173.09612	0.3
173.51054	0.2
174.03168	3.4
175.03963	1.4
175.07634	1.1
177.01910	0.3
185.06119	0.4
187.03937	1.1
187.07629	0.3
188.04758	4.1
189.05360	0.4
190.06331	6.0
191.07085	2.0
199.07637	0.4
201.05516	0.4
201.09177	0.5
202.06357	0.4
203.07112	23.6
204.07469	1.4
205.08682	1.8
209.06129	0.2
214.06320	0.7
216.07803	0.3
217.08699	11.9
218.09007	1.0
220.03737	3.0
225.05504	0.3
225.09192	0.5
227.03610	0.3
227.07059	0.3
229.08705	4.1
230.09142	0.4
239.03493	0.4
248.08791	0.6
251.07245	0.5
253.05130	0.9
253.09204	0.5
254.05925	1.1
265.62875	0.2
267.06650	0.5
268.07373	0.4
269.04568	0.3
269.08191	0.6
269.11823	0.3
271.06140	1.6
278.05875	0.3
281.04724	0.3
282.05341	1.9
283.13443	0.6
285.04141	0.3
295.13327	0.3
296.07010	3.4
297.04361	0.4
297.07727	6.5
297.11139	0.5
298.04874	0.3
298.08179	0.7
299.09323	0.2
311.05466	0.4
311.13052	0.7
321.11444	0.9
324.10104	0.3
327.16019	0.3
329.13928	0.3
339.12421	100.0
340.12762	10.0
357.13477	6.1
358.13849	0.7
366.13168	0.4
380.12991	0.9
402.14258	2.1
458.12192	0.3
459.12036	0.3
475.13806	0.4
501.17828	6.4
502.18027	1.0
519.14850	0.5
519.22699	0.9
519.31750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01262	2.3
61.98718	0.6
65.03849	2.2
65.96043	0.1
67.01773	0.7
69.03324	0.1
71.01271	1.2
72.99208	0.2
73.02836	0.3
75.00729	0.1
81.03339	0.1
83.01284	0.1
85.02840	0.4
87.00775	0.2
89.02345	0.6
90.07645	0.1
91.05428	8.1
92.05765	0.2
93.03355	1.9
95.01263	0.2
95.04931	0.1
101.02345	0.6
103.05431	0.2
105.03397	0.1
107.04925	0.4
108.02078	1.4
109.02859	29.7
110.03221	0.9
111.00771	0.2
113.02314	0.5
119.03405	0.2
119.04935	0.3
121.02868	13.7
122.03738	1.5
123.04456	0.8
125.02378	0.3
133.02866	0.8
133.06500	0.1
133.45625	0.1
134.03691	0.6
135.04445	82.9
136.01601	0.1
136.04741	3.3
137.02365	0.2
139.03944	0.2
139.11156	0.1
147.04449	7.1
148.05241	6.7
149.05891	0.4
151.03926	0.4
153.05533	0.2
157.08679	0.3
159.04478	0.3
160.05240	1.4
161.02379	0.4
161.04559	0.2
161.06001	1.2
162.03209	0.1
163.00348	0.2
165.05461	0.5
167.07089	3.8
168.07466	0.2
172.05211	0.1
173.06023	0.4
174.03137	0.1
175.04007	0.2
175.07620	0.1
177.02011	0.1
177.05510	0.2
178.06313	0.5
181.08633	0.2
183.10243	0.7
185.05995	0.1
187.03938	0.1
187.07597	0.2
188.04759	0.4
189.05528	0.4
189.09352	0.1
190.06303	0.3
191.07127	0.5
193.08669	14.6
194.09027	0.8
197.06102	0.1
199.07640	0.3
200.08392	0.5
201.05510	0.3
201.09218	0.2
202.06442	0.1
203.07126	2.5
204.07695	0.3
205.08722	0.4
210.06935	0.1
211.07643	0.9
213.05539	0.2
214.09837	0.1
215.07121	0.1
216.07901	0.1
217.08714	0.4
217.12440	0.1
219.06410	0.1
219.10292	0.1
220.03793	0.2
223.07562	0.3
224.08427	0.1
225.05486	0.1
225.09187	0.4
226.09950	0.5
227.03529	0.1
227.07173	0.3
228.07932	0.5
229.08632	0.3
229.60844	0.1
230.09410	0.1
232.07428	0.3
237.09282	0.1
238.09978	0.3
239.07158	0.1
241.05115	0.3
241.08830	0.2
242.05855	0.1
242.09505	0.2
247.13431	0.4
248.13864	0.1
251.07173	0.2
252.07874	1.5
253.04973	0.1
253.08780	0.4
254.05818	0.1
254.09286	0.1
255.06662	2.1
256.07013	0.2
256.11084	0.3
257.08118	0.2
258.09018	0.4
264.07861	0.1
265.08704	0.2
267.06747	0.3
269.08276	1.0
270.09018	3.5
271.06067	0.3
271.09421	0.3
271.13409	0.2
273.11365	0.5
282.08990	0.9
283.09558	0.2
284.06952	0.2
285.07693	0.3
285.11423	0.3
287.05731	0.1
287.13016	0.2
296.06738	0.2
297.07922	0.2
297.11255	1.1
298.11908	0.1
300.09970	0.7
301.10696	0.1
315.12436	100.0
316.12753	10.2
321.11356	0.6
338.08173	0.2
338.11694	1.3
339.12405	5.7
340.12750	0.6
341.06989	0.1
341.13995	0.2
356.09140	0.1
357.13330	0.5
381.13474	0.3
459.16666	0.8
477.17700	0.2
495.57043	0.1
501.17801	0.8
502.17703	0.1
519.18573	1.9
519.31653	0.3
520.19366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1885
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01264	3.6
69.37231	0.8
69.37566	5.2
71.01272	4.9
73.02845	0.9
82.48840	0.7
85.02852	1.4
87.00734	0.7
89.02346	1.1
89.31640	0.6
98.19804	1.2
99.00788	0.5
101.02352	2.4
108.02103	0.9
109.02840	0.9
113.02338	1.4
121.02859	4.1
122.03665	2.4
124.01589	0.9
134.03694	1.0
136.01593	62.9
137.02043	2.4
144.65112	0.5
151.03949	100.0
152.04260	4.7
159.04486	1.2
160.05238	1.1
161.04485	1.3
162.03262	0.8
163.03926	1.1
173.26808	0.5
175.07585	1.3
176.04619	0.5
177.05513	1.2
179.03395	0.8
189.05687	0.7
203.06973	0.7
241.05011	0.6
270.92841	0.8
296.06998	1.8
297.07681	0.6
308.07016	2.2
311.12949	0.9
313.07266	0.7
326.08087	1.4
338.08084	1.3
339.04980	0.9
339.08670	0.9
342.11133	4.4
355.08258	0.9
356.09061	4.6
357.13507	92.4
358.13852	10.8
369.38760	0.5
385.09216	0.8
409.67715	0.7
429.07990	0.9
447.26089	1.2
519.15466	15.0
519.23157	1.4
519.31909	1.2
520.15411	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	519.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48458	0.1
57.03331	0.2
59.01263	3.0
61.98713	0.4
65.00222	0.1
65.03848	1.2
67.01772	0.3
69.84885	0.7
71.01270	1.1
72.99203	0.1
73.02837	0.3
75.00755	0.1
83.01276	0.4
85.02841	0.7
85.39034	0.1
87.00760	0.2
89.02337	0.4
91.05423	3.9
92.05785	0.2
93.03369	1.0
94.03796	0.1
95.01278	0.4
95.04931	0.3
96.95899	0.1
97.02887	0.1
97.06504	0.1
99.00794	0.2
101.02328	0.7
105.07030	0.2
107.01267	0.2
107.04936	0.4
108.02086	0.6
109.02854	15.7
109.06501	0.1
110.03189	0.5
113.02353	0.6
117.03357	0.1
119.03439	0.2
119.04952	0.3
121.02865	11.5
122.03236	0.5
123.04444	0.5
125.02358	1.2
133.02869	0.6
134.03725	0.7
135.04440	41.6
136.01617	0.2
136.04767	1.8
137.02344	0.2
144.05716	0.2
145.02808	0.2
146.03737	0.2
147.04449	6.0
148.01595	0.7
148.04803	0.2
148.55775	0.1
149.02330	0.2
149.06004	3.0
150.01416	0.1
150.06393	0.1
150.37675	0.1
151.00252	0.7
151.03909	0.5
152.01044	0.2
153.01857	0.2
159.04474	0.7
159.08127	0.2
160.03949	0.1
160.05212	0.2
161.02385	3.6
161.04512	0.3
161.06013	0.5
162.03043	0.3
163.03944	0.3
167.03444	0.4
173.02403	0.1
173.06088	0.4
173.09633	0.2
174.03165	3.3
175.03952	1.2
175.07584	1.0
176.04497	0.2
177.05414	0.2
183.08047	0.2
185.06071	0.5
187.03903	1.3
187.07668	0.2
188.04738	4.6
189.05490	0.6
189.09155	0.2
190.06314	6.3
191.07097	2.3
192.07608	0.2
197.06093	0.2
198.06543	0.1
199.07613	0.4
201.05550	0.4
201.09138	0.4
202.06192	0.1
203.07111	25.7
204.07452	1.8
205.08641	1.8
209.06155	0.2
210.06789	0.2
211.03976	0.2
213.05544	0.2
214.06314	0.7
215.07086	0.2
215.21307	0.1
216.07881	0.4
217.08678	14.1
218.09016	1.0
220.03746	2.6
223.07703	0.4
225.05603	0.1
225.09206	0.6
226.06142	0.1
227.07155	0.5
228.07808	0.3
229.08690	5.0
230.09152	0.5
237.05443	0.2
238.06250	0.2
239.03429	0.4
241.08704	0.3
243.06630	0.4
248.08688	0.3
251.07173	0.5
252.07803	0.1
253.05116	0.9
253.09348	0.3
254.05870	1.2
255.06319	0.2
267.02777	0.2
267.06754	0.4
268.07440	0.3
269.04773	0.2
269.08200	0.6
269.11899	0.2
271.06247	0.3
279.10361	0.2
281.04660	0.3
281.08319	0.4
282.05441	1.2
283.06000	0.3
283.13443	0.2
292.38953	0.1
295.06281	0.1
295.13599	0.1
296.06949	3.7
296.10217	0.2
297.07739	4.0
297.11322	0.4
298.08270	0.3
301.14462	0.1
311.13046	0.2
321.11334	1.3
322.11911	0.2
324.10095	0.4
338.11438	0.3
339.12408	100.0
340.12750	11.8
340.17081	0.3
357.13455	5.0
358.13904	0.5
363.12073	0.1
366.13202	0.2
380.12860	0.2
381.13501	0.2
402.14395	0.8
415.22299	0.2
458.12292	0.2
475.13162	0.5
501.17764	5.8
502.18152	1.0
519.12042	0.3
519.22021	0.4
519.31726	0.6
520.11639	0.2
520.19037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01262	2.3
61.98718	0.6
65.03849	2.2
65.96043	0.1
67.01773	0.7
69.03324	0.1
71.01271	1.2
72.99208	0.2
73.02836	0.3
75.00729	0.1
81.03339	0.1
83.01284	0.1
85.02840	0.4
87.00775	0.2
89.02345	0.6
90.07645	0.1
91.05428	8.1
92.05765	0.2
93.03355	1.9
95.01263	0.2
95.04931	0.1
101.02345	0.6
103.05431	0.2
105.03397	0.1
107.04925	0.4
108.02078	1.4
109.02859	29.7
110.03221	0.9
111.00771	0.2
113.02314	0.5
119.03405	0.2
119.04935	0.3
121.02868	13.7
122.03738	1.5
123.04456	0.8
125.02378	0.3
133.02866	0.8
133.06500	0.1
133.45625	0.1
134.03691	0.6
135.04445	82.9
136.01601	0.1
136.04741	3.3
137.02365	0.2
139.03944	0.2
139.11156	0.1
147.04449	7.1
148.05241	6.7
149.05891	0.4
151.03926	0.4
153.05533	0.2
157.08679	0.3
159.04478	0.3
160.05240	1.4
161.02379	0.4
161.04559	0.2
161.06001	1.2
162.03209	0.1
163.00348	0.2
165.05461	0.5
167.07089	3.8
168.07466	0.2
172.05211	0.1
173.06023	0.4
174.03137	0.1
175.04007	0.2
175.07620	0.1
177.02011	0.1
177.05510	0.2
178.06313	0.5
181.08633	0.2
183.10243	0.7
185.05995	0.1
187.03938	0.1
187.07597	0.2
188.04759	0.4
189.05528	0.4
189.09352	0.1
190.06303	0.3
191.07127	0.5
193.08669	14.6
194.09027	0.8
197.06102	0.1
199.07640	0.3
200.08392	0.5
201.05510	0.3
201.09218	0.2
202.06442	0.1
203.07126	2.5
204.07695	0.3
205.08722	0.4
210.06935	0.1
211.07643	0.9
213.05539	0.2
214.09837	0.1
215.07121	0.1
216.07901	0.1
217.08714	0.4
217.12440	0.1
219.06410	0.1
219.10292	0.1
220.03793	0.2
223.07562	0.3
224.08427	0.1
225.05486	0.1
225.09187	0.4
226.09950	0.5
227.03529	0.1
227.07173	0.3
228.07932	0.5
229.08632	0.3
229.60844	0.1
230.09410	0.1
232.07428	0.3
237.09282	0.1
238.09978	0.3
239.07158	0.1
241.05115	0.3
241.08830	0.2
242.05855	0.1
242.09505	0.2
247.13431	0.4
248.13864	0.1
251.07173	0.2
252.07874	1.5
253.04973	0.1
253.08780	0.4
254.05818	0.1
254.09286	0.1
255.06662	2.1
256.07013	0.2
256.11084	0.3
257.08118	0.2
258.09018	0.4
264.07861	0.1
265.08704	0.2
267.06747	0.3
269.08276	1.0
270.09018	3.5
271.06067	0.3
271.09421	0.3
271.13409	0.2
273.11365	0.5
282.08990	0.9
283.09558	0.2
284.06952	0.2
285.07693	0.3
285.11423	0.3
287.05731	0.1
287.13016	0.2
296.06738	0.2
297.07922	0.2
297.11255	1.1
298.11908	0.1
300.09970	0.7
301.10696	0.1
315.12436	100.0
316.12753	10.2
321.11356	0.6
338.08173	0.2
338.11694	1.3
339.12405	5.7
340.12750	0.6
341.06989	0.1
341.13995	0.2
356.09140	0.1
357.13330	0.5
381.13474	0.3
459.16666	0.8
477.17700	0.2
495.57043	0.1
501.17801	0.8
502.17703	0.1
519.18573	1.9
519.31653	0.3
520.19366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.152
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
52.48303	0.1
59.01262	1.4
59.58611	0.1
60.59021	0.1
70.90550	0.3
70.90933	0.3
71.01273	1.0
73.02831	0.3
83.01285	0.2
85.02843	0.4
87.00789	0.3
93.03389	0.2
99.00785	0.2
101.02345	0.6
108.02076	0.2
109.02869	0.6
109.03726	0.1
113.02408	0.3
115.00291	0.3
117.03392	0.2
119.03407	0.1
119.04940	0.3
121.02882	0.9
123.04517	0.2
125.02372	0.4
131.03430	0.2
131.04944	0.2
132.02094	2.2
133.02827	0.3
134.03679	0.3
135.04417	0.8
143.05031	0.2
145.02904	0.2
147.04448	0.4
149.02394	0.3
149.06082	0.2
151.04030	0.1
159.04520	0.4
160.03952	0.3
161.02376	0.3
161.06035	0.4
162.03194	0.2
163.03941	0.2
163.06064	0.3
166.02704	0.2
168.14882	0.1
171.04430	0.2
175.02502	0.4
175.03989	0.5
177.05521	0.4
181.05035	0.4
183.04570	0.1
183.53470	0.2
185.06020	0.2
187.04001	1.4
188.04607	0.3
191.03450	0.3
193.04999	0.2
195.06602	0.2
199.04018	0.2
199.07368	0.2
201.05519	0.2
202.02644	0.7
203.03491	0.6
203.07098	0.2
205.05095	0.3
207.08058	0.1
209.06105	0.3
210.46783	0.2
214.02731	0.3
215.03520	0.6
216.04259	0.5
219.08199	0.2
221.04416	0.2
221.06270	0.2
223.07793	0.3
225.05717	0.1
227.03629	0.2
227.07106	0.4
228.04398	0.2
233.04512	0.2
235.07686	0.5
236.08366	0.3
237.05586	0.5
239.07172	0.3
249.05621	0.3
251.07176	0.9
252.07869	0.8
253.04970	0.7
253.08693	0.3
262.06412	0.4
263.07227	1.3
264.07874	1.3
265.05170	0.7
265.08478	0.3
266.05756	0.2
267.06607	1.6
268.07364	1.0
269.08200	0.2
271.06183	4.2
272.06509	0.4
275.07159	0.4
276.07816	0.7
277.05026	0.2
278.05930	0.4
279.06696	2.0
280.07407	1.3
281.04620	1.3
281.08133	0.8
283.06433	0.2
290.05823	0.2
291.06720	0.9
292.04559	0.2
292.07248	0.7
293.04663	1.0
294.05371	0.3
295.06171	3.9
295.09241	0.1
296.06946	10.7
297.07544	1.8
298.04846	0.5
298.08081	0.2
305.04630	0.2
307.06177	4.1
308.06964	16.0
309.07657	3.5
310.08337	0.4
311.05664	0.2
311.09167	0.2
312.06628	0.3
313.07242	0.8
319.06125	1.2
320.06958	6.3
321.07663	2.2
325.07248	1.5
326.08029	9.0
327.08530	1.7
329.10172	0.2
337.07300	0.7
338.08023	14.1
339.08679	4.4
339.12442	0.2
340.09186	0.2
354.07425	0.3
355.08292	0.3
356.09088	26.3
357.09711	6.2
357.13608	0.8
358.10284	0.3
381.10001	0.3
385.09210	0.4
399.10947	0.3
429.11920	0.3
447.26007	0.6
459.13287	0.3
471.13193	0.7
475.12723	0.2
483.13199	0.7
489.14261	1.7
490.14642	0.2
501.14169	5.9
502.14664	0.9
517.13739	0.4
519.15179	100.0
520.15497	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	519.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.0
58.00468	0.3
59.01261	12.7
61.98712	0.7
68.70435	0.2
69.29108	1.4
69.29537	1.1
70.38475	0.2
71.01272	6.4
72.99200	1.0
73.02828	2.2
75.00755	0.4
83.01279	1.1
83.50922	0.2
85.02834	2.0
87.00757	1.8
87.04414	0.6
88.98676	0.5
89.02338	4.3
95.01295	0.6
95.04932	0.4
96.95914	0.3
97.02850	0.4
97.06522	0.3
99.00778	0.9
99.04468	0.4
101.02346	4.3
102.02682	0.4
103.03922	0.9
108.02066	0.5
109.02865	0.8
113.02361	2.4
113.06015	0.3
115.00285	0.9
117.01852	0.3
119.03449	1.4
119.04919	0.4
121.02827	0.8
123.04453	0.6
125.02364	1.0
127.00284	0.5
129.09164	0.3
131.03416	0.6
133.02904	0.6
135.04448	0.7
136.01581	0.7
137.02376	0.9
141.01976	0.4
143.03452	0.9
145.02853	0.3
148.01595	2.5
149.02406	1.3
149.04527	0.6
149.06007	0.3
151.00351	0.4
151.03926	0.9
151.07535	0.3
152.01091	0.5
153.09074	0.4
159.04465	0.2
160.04022	1.6
161.02373	0.6
161.04510	0.7
163.00391	0.5
163.06087	2.4
165.01866	1.4
167.03502	0.3
172.05312	0.4
175.02440	1.3
175.03868	0.4
177.01878	0.6
179.05576	0.7
181.05060	0.5
187.03929	0.4
188.01288	0.3
189.01904	1.1
190.02623	1.2
197.05992	0.5
202.02762	0.3
205.07109	0.9
209.06061	0.3
210.06728	0.3
211.03961	0.5
213.05530	0.7
214.06342	0.8
214.99770	1.2
224.04741	0.4
225.05548	1.8
226.06300	0.9
227.03587	0.6
228.04123	0.4
237.05760	0.5
240.04283	0.3
241.05035	3.7
242.05736	0.9
244.50102	0.3
252.04352	0.5
253.05064	2.1
254.05788	1.2
255.03110	0.4
265.14539	0.2
268.04001	0.4
269.04614	3.7
269.07474	0.4
270.05438	2.1
271.06104	1.1
280.03870	0.7
281.04532	1.0
282.05316	0.9
283.02518	0.4
283.06097	0.5
295.06042	0.3
296.03314	0.8
296.06522	0.4
297.04083	4.5
297.07706	1.0
298.04877	70.6
299.05231	6.6
309.07733	0.3
311.05621	1.3
312.06430	2.0
313.07230	100.0
314.07547	9.0
323.01865	0.4
323.05692	0.5
324.02844	2.7
325.03354	0.5
325.07306	0.5
327.08771	0.3
327.12531	0.4
335.09207	0.6
337.07272	0.4
339.05148	15.3
339.12317	0.7
340.05710	2.1
341.06787	0.5
343.08511	0.4
355.08319	4.0
356.08783	0.9
357.06232	17.6
357.13541	0.9
358.06573	1.8
367.08398	0.3
370.06873	0.5
373.18973	0.4
375.16467	0.6
385.09442	1.8
399.07071	0.6
429.12527	1.2
447.26276	0.6
459.09442	0.4
481.22186	0.3
519.10461	3.0
519.23645	1.9
519.31665	1.9
520.12006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03329	1.8
59.01263	17.4
60.01594	0.5
61.98718	5.2
63.02285	2.1
65.00208	5.1
71.01273	9.0
71.54208	0.8
72.99179	1.2
73.02826	3.4
75.00761	1.2
83.01281	5.1
85.02842	4.1
87.00773	1.4
87.04395	0.6
89.02341	3.8
92.04941	2.6
93.03363	7.0
95.01286	1.0
96.95903	1.6
97.02856	0.8
97.06506	0.8
99.00790	1.7
99.04404	1.0
101.02359	6.3
107.01283	8.8
107.79261	0.5
108.02084	0.9
109.02865	1.2
109.06487	0.5
110.07024	0.5
111.08040	0.5
113.02365	4.3
115.00254	0.6
119.03503	1.2
119.04944	29.6
120.05269	1.6
121.02849	1.1
123.04441	0.7
125.02361	2.6
131.03360	0.7
133.02866	0.7
135.04424	2.3
136.01563	1.8
136.03973	10.4
137.02357	1.2
141.09190	2.5
142.09441	1.0
145.02969	0.7
147.04417	0.6
149.02367	0.6
149.04555	0.8
151.00307	36.3
151.03938	3.1
152.00891	1.0
159.02878	0.6
159.58495	0.6
161.02386	0.5
161.04558	2.7
161.05786	0.5
162.03105	1.2
163.00388	0.8
163.03865	0.7
164.01135	0.9
165.01917	1.8
169.01372	2.1
175.00401	0.9
177.01891	5.1
177.05548	1.5
179.03464	0.6
183.01202	0.9
185.06012	0.6
190.02586	0.6
193.01393	0.9
197.02705	3.1
225.07800	0.8
225.11304	1.6
227.07297	0.8
241.05136	0.7
271.06171	100.0
272.06512	8.4
295.06082	0.7
297.07492	1.1
309.63333	0.6
313.07266	1.9
325.07126	0.5
339.12405	1.8
339.16306	0.9
357.13480	3.1
357.26514	1.3
383.13400	0.7
388.27936	0.7
389.21777	0.9
431.26471	0.7
447.25696	0.7
475.12729	1.4
518.73218	0.7
519.14862	2.2
519.23004	14.0
519.31830	13.0
520.23444	1.7
520.32050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81905	0.2
59.01268	0.2
62.96278	0.2
70.30331	0.5
70.30724	0.3
78.95793	43.6
96.51260	0.2
96.96867	5.1
150.97975	1.7
151.25668	0.2
152.99522	100.0
153.99873	1.9
171.00600	3.8
182.73436	0.2
213.60027	0.2
214.97176	0.2
277.21823	0.9
431.22095	24.7
432.22433	3.2
518.25348	5.4
519.26355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.0
59.48422	0.1
61.98717	100.0
62.98407	0.2
69.03350	0.3
70.47759	0.5
71.01305	0.2
83.01308	0.1
87.00854	0.2
87.01467	0.1
97.02877	0.5
97.06518	0.1
99.04429	0.2
109.85047	0.1
111.00859	0.2
113.02419	0.2
114.03154	0.6
172.13599	0.2
195.08220	0.2
206.33235	0.2
231.88101	0.1
295.21954	0.2
518.32245	0.3
519.20508	0.3
519.33319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79114	0.4
55.01759	0.5
57.03316	1.7
58.00461	0.8
59.01265	19.2
61.98713	1.0
65.00173	0.5
69.03331	0.8
71.01260	12.3
72.99188	1.1
73.02839	5.0
75.00748	1.2
76.35607	0.5
83.01250	1.9
85.02843	3.7
85.06473	0.5
87.00775	3.6
87.04424	0.9
88.98683	0.5
89.02341	6.3
93.03310	0.7
95.01258	1.0
96.95911	0.9
97.02852	0.8
99.00753	1.1
99.04389	0.5
101.02344	8.3
103.03897	1.4
106.61027	0.5
108.02082	1.1
109.02853	2.1
111.00794	0.5
113.02357	3.8
115.00258	1.8
115.03911	0.5
117.03346	0.7
119.03437	2.1
119.04939	1.2
121.02829	1.3
122.03755	0.5
123.04395	1.1
125.02380	3.1
131.03389	0.8
132.16507	0.5
133.02884	0.7
134.03571	0.5
135.04413	1.7
137.02357	1.1
141.01863	0.5
143.03413	1.5
145.02864	0.9
145.05013	0.9
148.01593	2.8
149.02377	1.9
149.04504	0.5
151.00391	0.5
151.03896	1.3
151.07573	0.6
152.01059	0.6
153.01822	1.2
153.05528	0.7
159.04439	1.1
160.01534	0.4
160.04025	2.2
161.02345	1.4
161.04536	1.1
161.05983	0.7
163.03949	0.7
163.06094	5.6
165.01918	2.6
167.03340	0.6
175.02469	4.2
175.03857	0.8
176.81493	0.4
177.01825	0.9
179.03468	0.6
179.05443	0.7
181.05013	1.4
183.04471	0.7
185.06035	0.6
187.03940	2.0
189.01895	1.0
190.02670	1.1
203.07175	0.5
205.05307	0.6
205.07143	3.1
213.05630	0.9
214.06310	1.0
214.99835	1.0
225.05565	1.6
226.06334	0.9
227.03453	0.6
227.07146	1.0
228.04190	0.6
231.61618	0.5
241.05072	3.7
242.05887	0.9
252.04311	1.0
253.05127	2.4
254.05858	1.1
269.04636	5.4
269.07697	0.8
270.05209	2.0
271.06183	10.6
271.09451	0.6
272.06534	1.3
280.03796	1.0
281.04602	1.0
282.05304	1.0
283.02628	1.0
283.05984	0.8
295.06161	1.4
296.03210	1.2
297.04169	4.6
297.07449	0.7
298.04889	79.2
299.05264	7.3
311.05759	2.0
312.06305	2.1
313.07245	100.0
314.07574	10.1
316.74683	0.5
324.03006	3.2
325.07169	0.7
327.08963	0.7
339.01068	1.0
339.05173	17.7
339.09140	1.0
339.12286	1.5
340.05588	2.7
341.06613	0.7
343.08310	1.3
355.08246	3.8
356.08896	0.8
357.06241	17.1
357.13120	3.1
358.06519	2.4
358.13684	0.5
370.07059	0.5
373.18820	0.9
375.16727	0.6
380.77374	0.5
385.09494	1.4
447.26184	0.8
475.12762	0.9
493.43857	0.6
519.12097	2.4
519.24451	1.7
519.31903	2.3
520.11810	0.7
520.19037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01673	0.4
57.03337	0.9
59.01263	48.2
60.01595	0.4
61.98716	100.0
63.46075	0.4
69.03319	0.4
70.75994	0.4
71.01272	15.3
71.01674	0.9
72.99209	1.2
73.02836	14.0
75.00767	0.6
76.60244	0.4
78.49665	0.4
81.03344	0.4
83.01277	5.4
85.02840	3.2
87.00803	1.6
89.02338	5.9
91.05452	1.3
93.03315	0.7
95.01293	1.5
97.02857	1.0
99.00805	0.8
99.04438	0.8
101.02345	19.4
102.02702	0.6
107.01292	0.6
107.04923	0.4
108.02086	0.6
109.02854	4.8
111.00801	0.6
111.04485	0.4
112.64749	0.5
113.02360	9.2
114.84887	0.4
115.05535	0.4
119.03430	3.2
121.02885	5.2
123.04433	0.5
125.02366	3.5
128.03491	0.6
131.03419	1.7
135.04443	12.7
137.02415	0.4
137.09628	2.4
141.09154	0.6
143.03430	2.9
143.04539	1.0
147.04477	1.8
149.02373	0.8
149.04507	4.6
149.05975	0.8
151.00352	0.6
151.03909	0.5
152.01080	1.0
155.03453	0.4
161.02359	1.4
161.04494	7.8
163.03995	0.5
167.03424	0.7
168.03801	0.6
174.03215	0.9
175.00407	0.6
175.03970	0.5
179.03491	0.9
179.05582	0.9
187.07756	0.7
188.04865	1.1
189.12767	0.6
190.06346	1.6
191.03406	0.5
191.07138	0.5
194.05798	0.6
195.06174	0.6
203.05528	1.0
203.07152	6.3
209.08173	1.0
210.08565	0.7
217.08690	4.7
220.03790	1.0
221.06628	2.5
222.15244	0.4
225.05693	0.4
229.08780	1.3
243.06686	1.4
253.05038	1.6
254.05757	0.5
267.07266	0.9
271.06253	0.8
285.20859	0.5
295.06049	0.5
296.07083	0.9
300.02740	0.5
306.07629	1.0
311.05844	0.5
312.06378	0.7
315.05209	1.2
339.12418	34.2
350.84091	0.5
355.08337	0.9
357.13495	5.0
385.09229	1.2
420.09207	0.5
447.26187	3.6
475.13013	1.6
483.09354	0.5
501.17804	1.7
519.12250	3.0
519.21185	2.9
519.32117	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72676	0.6
59.01265	100.0
60.01611	0.8
61.09755	0.6
61.98718	1.1
71.51655	0.6
71.52061	0.6
75.77862	0.6
78.95779	1.2
101.78188	0.5
105.44569	0.5
127.23492	0.5
143.18056	0.5
144.22302	0.5
152.99539	2.7
189.66794	0.5
209.52982	0.5
215.70837	0.5
227.08295	0.6
236.95525	0.5
279.23434	1.3
280.23813	1.3
281.24155	1.3
336.41544	0.5
442.23132	0.5
517.23016	0.9
517.32147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01234	0.2
57.03339	0.8
59.01264	100.0
60.01596	1.2
61.40374	0.2
61.98709	0.7
65.03838	0.3
69.48660	1.7
71.01268	2.6
72.77229	0.2
72.99216	0.3
73.02419	0.2
73.02843	0.8
75.00749	0.3
81.74987	0.2
83.01302	0.6
84.02094	0.2
85.02841	1.2
86.39966	0.2
87.00785	0.4
89.02337	1.0
91.05421	0.9
93.03381	0.3
97.02910	0.4
99.00795	0.5
101.02330	1.7
101.06009	0.2
107.04942	0.2
108.02086	0.3
109.02862	4.1
113.02372	1.1
119.03445	0.5
119.04988	0.3
121.02890	1.6
123.04404	0.2
125.02370	3.7
126.55194	0.2
135.00826	0.2
135.04446	7.3
136.04826	0.3
137.02383	0.2
143.03442	0.2
147.04431	1.0
149.02480	0.3
149.06049	0.4
149.09674	0.2
151.00383	0.2
152.24203	0.2
152.54485	0.2
161.02422	0.7
161.04546	0.4
163.03941	0.3
175.07462	0.2
188.08380	0.2
189.09218	0.3
193.08723	0.7
201.09207	0.2
207.10378	0.3
215.10806	0.3
217.05077	0.4
217.08681	0.2
229.08656	1.2
233.08241	0.4
233.11906	0.8
245.04680	0.4
253.17841	0.2
265.10831	0.3
269.04721	0.2
281.08371	0.3
287.05551	0.4
322.12201	0.4
337.14554	0.9
354.22531	0.2
355.11838	1.1
355.15598	10.4
356.15991	1.4
397.22375	0.4
415.23288	1.3
457.23956	1.2
464.62448	0.2
517.20911	2.3
517.32782	1.4
518.21271	0.6
518.31342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11237	0.1
57.03344	0.7
59.01265	6.7
60.01609	0.1
61.98709	0.4
65.03851	1.7
67.01779	0.7
69.03320	0.1
71.01275	1.4
71.43621	0.2
71.43968	0.1
72.99202	0.2
73.02835	0.5
75.00784	0.1
83.01285	0.5
83.04947	0.1
85.02853	0.7
87.00765	0.2
89.02349	0.4
91.05430	6.6
92.05783	0.4
93.03366	1.7
95.01306	0.3
95.04904	0.2
99.00768	0.3
101.02344	0.7
103.05453	0.1
107.04939	0.4
108.02078	1.6
109.02863	23.0
110.03224	0.7
111.00790	0.4
113.02355	0.6
119.03447	0.2
119.04945	0.4
121.02875	10.1
122.03212	0.2
123.04442	0.3
123.08010	0.1
125.02358	3.8
130.17751	0.2
133.02882	0.8
134.03644	0.4
135.04449	58.6
136.04781	2.8
137.02345	0.2
145.02916	0.2
147.04453	6.5
148.04924	0.2
149.02414	0.1
149.05992	0.4
151.00325	0.3
159.03152	0.2
159.04463	1.7
160.05209	0.3
161.02400	0.6
161.05994	0.6
162.06813	0.6
163.07558	0.1
167.03445	0.3
173.06013	1.0
174.03160	0.2
174.06740	0.3
175.07565	0.8
176.08389	0.3
177.01877	0.3
179.07138	0.2
185.06122	0.2
187.07629	1.4
188.08395	3.3
189.09084	0.5
191.07156	0.2
193.08621	0.4
197.05884	0.2
199.07649	0.5
200.08313	0.5
201.05586	0.2
201.09189	1.1
203.03427	0.2
203.07155	0.2
205.08673	0.3
207.10255	2.7
211.07547	0.2
213.05644	0.1
213.09200	0.6
215.10779	0.2
217.05020	0.2
218.09555	0.4
225.09253	0.3
227.07150	0.2
229.08626	0.9
231.10254	0.3
232.07611	0.2
233.11842	8.4
234.12192	0.7
237.09262	0.4
239.07153	0.3
241.05148	0.2
251.07201	0.2
251.10773	0.3
253.05232	0.2
253.08638	0.1
255.06546	0.2
263.07248	0.2
263.10626	0.2
266.13208	0.2
267.06760	0.2
267.10400	0.1
268.11185	0.2
269.04669	0.2
269.08347	0.4
269.15302	0.2
270.08990	0.2
270.12613	0.2
277.12381	0.2
278.13202	0.3
279.06625	0.1
279.13898	0.3
281.08264	1.6
281.11761	0.4
282.08859	0.2
285.14944	0.3
287.05685	0.6
287.16565	0.2
292.11136	0.3
295.09811	0.4
295.13376	0.4
298.12097	0.4
303.07220	0.1
303.10330	0.2
304.10849	0.3
305.11868	0.4
307.09851	0.4
309.11365	0.4
310.12225	0.6
313.14597	0.3
319.13452	0.5
321.11411	0.3
322.12177	1.4
323.12820	0.9
325.10873	0.4
337.14517	2.2
338.14960	0.3
340.13370	0.7
355.15585	100.0
356.15930	12.4
397.12955	0.2
427.14310	0.2
449.10938	0.1
457.28064	0.2
467.20236	0.1
517.20728	2.1
517.30328	0.5
518.21094	0.4
518.30865	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	517.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03234	0.5
55.01770	0.8
57.03336	2.0
58.00485	2.2
59.01265	52.4
60.01609	0.6
61.40829	0.5
61.98713	1.9
65.03831	0.9
66.63370	0.5
67.01796	1.0
68.99712	1.1
69.74383	1.3
69.74791	2.4
71.01271	30.7
71.04916	0.8
72.01603	0.9
72.99191	3.4
73.02828	3.3
75.00764	1.1
78.24287	0.5
83.01275	3.9
83.04916	0.8
85.02842	9.2
87.00790	2.3
87.04388	0.6
89.02338	21.4
90.02672	0.7
91.05441	4.6
93.03376	1.6
95.01293	3.5
97.02849	1.0
98.20535	1.0
99.00790	3.8
99.04411	0.7
101.02347	17.3
101.05970	0.8
107.01357	0.6
108.02077	2.1
109.02868	19.0
109.03618	1.1
110.03227	0.8
113.02359	9.5
117.01957	0.5
117.05485	0.8
119.03417	7.9
119.04925	1.7
121.02873	18.9
123.04449	0.6
125.02392	4.5
128.65918	0.5
131.03407	0.9
133.02916	1.1
135.04451	43.2
136.04843	1.9
137.02386	0.8
138.01918	5.4
138.02968	1.1
139.02225	1.5
141.09167	0.5
143.03487	1.3
145.02911	1.2
147.04443	3.5
147.08223	0.5
149.02397	0.9
149.05971	0.6
151.00285	2.5
153.01920	0.9
160.53259	0.5
161.02444	2.6
161.04535	1.5
161.05984	0.7
163.04021	0.6
165.01877	0.7
173.06075	0.9
177.01868	0.8
179.05562	1.1
188.08495	0.8
189.09177	1.7
191.03586	0.7
191.07146	1.0
193.08708	4.8
199.07719	1.1
200.08405	1.0
215.10849	3.5
217.05234	1.0
225.05629	2.0
227.06822	0.5
269.04800	1.0
269.16064	0.6
271.06262	2.0
276.91351	0.5
279.06613	1.2
279.10461	0.6
281.04657	0.8
287.05661	0.7
287.22299	0.7
289.08408	2.4
293.04813	0.7
294.05511	1.4
295.06155	0.8
297.07855	0.6
307.09662	0.8
309.07819	0.9
313.07349	2.7
313.10660	0.5
319.13284	0.7
321.11554	0.6
322.12210	1.9
323.08218	1.0
323.58270	0.6
337.11075	0.9
337.14523	25.3
338.14703	2.7
340.09451	3.1
354.10913	0.6
355.11877	12.4
355.15652	2.3
356.12357	1.3
399.27829	0.9
401.08911	7.7
402.09448	1.0
427.13864	0.9
517.21027	100.0
518.21411	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	517.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56160	0.1
52.77576	0.1
57.03337	0.3
59.01264	1.9
61.98729	0.5
62.69360	0.1
63.25220	0.1
65.03852	1.6
67.01772	0.5
67.35172	0.1
68.99734	0.1
69.59171	0.6
71.01273	0.6
73.02843	0.4
83.01290	0.2
85.02847	0.4
87.00777	0.3
89.02319	0.2
91.05428	6.6
92.05757	0.3
93.03349	1.6
95.01282	0.1
95.04898	0.1
98.19839	0.1
99.00775	0.3
99.04411	0.2
101.02346	0.4
107.04932	0.3
108.02088	1.3
109.02859	21.1
110.03159	0.6
113.02355	0.3
119.04951	0.2
121.02869	11.1
122.03764	0.6
123.04448	0.7
125.02329	0.1
126.54147	0.1
133.02885	1.4
134.03667	1.8
135.04445	68.3
136.01578	0.4
136.04749	2.6
137.06010	0.6
146.03679	0.2
147.04448	9.4
148.05257	2.3
149.05992	0.5
150.06796	0.3
151.03876	0.1
159.04320	0.2
160.05249	0.6
161.04639	0.2
161.06003	0.7
162.06789	0.7
163.07596	0.8
164.07990	0.1
168.04156	0.1
173.09711	0.1
182.05843	0.4
194.05815	0.4
199.07671	0.5
200.08368	0.3
201.09157	0.6
207.10222	1.6
209.06117	0.2
210.06839	0.2
211.07596	0.4
213.05673	0.1
217.05060	0.4
225.09198	1.0
226.09906	0.4
227.07143	0.6
228.07903	0.4
233.11842	7.9
234.12234	0.5
237.09296	0.1
238.27769	0.1
241.05316	0.2
241.08742	0.4
242.09428	0.1
243.10300	0.2
251.07162	0.8
252.07979	0.9
253.05363	0.1
253.08646	0.4
254.05861	0.9
255.06680	1.5
255.10289	0.3
267.10309	0.3
269.08243	7.1
270.08932	2.8
283.09854	0.7
284.07297	0.2
284.10599	0.5
285.11420	2.9
286.11703	0.2
313.23849	0.1
323.12891	0.1
337.14609	0.6
355.15570	100.0
356.15903	12.3
397.16748	0.1
457.28137	0.1
517.20746	2.0
517.32330	0.3
517.75348	0.2
518.21320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83376	0.7
55.01758	1.4
56.03240	0.8
57.03332	6.3
58.00481	5.4
59.01262	90.8
60.01582	1.5
61.98712	3.3
65.00188	1.1
65.03839	1.3
65.75423	0.8
67.01775	1.2
67.92647	0.9
71.01266	59.8
71.04888	1.0
72.99196	5.7
73.02822	5.3
75.00760	1.6
81.03371	1.1
83.01259	5.3
85.02838	13.0
87.00768	2.6
87.04404	1.0
89.02335	51.4
91.01793	1.5
91.05439	4.3
93.03353	2.8
95.01258	5.4
96.95897	0.9
97.02887	1.6
99.00790	4.3
101.02345	30.7
101.03011	1.7
103.05485	0.9
107.04922	0.9
108.02077	3.6
109.02856	28.8
109.03609	1.8
109.06514	2.8
113.02352	21.4
119.03416	21.7
119.04884	2.1
121.02870	9.4
123.04403	1.2
124.01561	8.1
125.02369	8.5
125.09637	5.3
127.05522	0.8
131.03418	3.6
131.04903	1.2
133.02861	4.9
134.03648	1.5
135.00784	3.6
135.04446	52.2
136.04785	2.4
137.02356	3.3
143.03444	3.2
145.02921	1.0
147.04408	2.7
149.02359	2.2
149.04486	2.0
149.05893	1.9
149.09676	4.8
150.03114	1.4
151.00301	2.2
151.03937	2.1
151.07596	4.0
152.01093	0.9
153.01888	4.3
159.04547	1.1
161.01071	1.7
161.02383	25.5
161.04401	4.0
161.05896	1.4
162.02734	0.9
163.00288	11.3
163.07372	0.8
164.00639	1.1
173.06007	3.4
174.03165	1.5
175.03926	1.2
175.07631	1.1
177.05525	1.2
179.05644	5.1
179.06932	1.0
187.07610	7.7
189.09125	1.8
191.07059	3.1
193.08670	54.9
194.09023	4.0
203.07172	3.9
207.06583	1.8
207.10374	0.9
213.05446	1.1
215.07141	1.1
215.10730	1.4
217.05031	12.1
217.08662	3.5
218.05351	0.9
219.06581	1.7
220.07263	1.2
223.06206	1.7
225.05576	1.1
233.08224	27.8
234.08556	2.0
235.09746	2.3
241.05016	1.0
245.04556	13.1
245.08243	2.3
246.04904	1.5
252.06555	1.1
267.06720	2.5
269.04755	1.3
269.08212	0.9
271.06168	2.4
279.06723	1.1
285.03867	1.0
287.05740	1.7
289.08322	1.5
293.08575	2.0
294.05035	1.0
309.11240	1.7
322.12131	3.7
337.10818	5.1
337.14548	15.4
338.14963	1.9
353.10287	1.5
354.10748	2.1
355.11923	74.1
356.12277	8.7
379.12125	1.9
397.13062	7.5
398.13272	1.3
427.13104	1.5
449.11023	0.9
517.20691	100.0
517.32202	4.3
518.21136	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	517.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
58.00479	1.0
58.09894	0.3
58.20871	0.4
59.01265	18.6
61.98713	0.8
66.59825	0.4
68.30171	0.4
69.03344	1.3
70.67566	1.2
71.01270	14.5
72.99210	2.1
73.02839	6.4
75.00758	1.1
77.80206	0.4
81.03354	1.3
83.01276	4.3
85.02843	5.2
87.00738	2.3
87.04398	0.7
89.02338	8.5
89.03872	0.8
93.03352	1.0
95.01288	0.8
95.04929	0.7
96.95925	0.7
97.02857	1.8
97.06469	0.5
98.02421	0.5
99.00764	2.5
99.04423	1.0
101.02342	14.4
102.02672	0.4
103.03912	6.0
104.02688	0.4
105.03352	2.2
107.04944	1.1
108.02065	2.1
109.02885	1.0
111.00764	0.5
113.02367	3.0
114.20362	0.4
115.03881	0.5
117.03390	0.5
119.03400	4.0
119.04876	0.4
121.02872	0.6
123.04469	1.7
125.02358	7.9
127.00262	1.8
127.03915	0.7
127.07543	0.5
129.01830	0.9
131.03406	1.0
133.02878	1.7
135.04431	1.5
137.02342	2.3
137.99559	0.6
138.01877	2.7
143.03447	1.6
145.04988	1.2
149.02399	0.8
149.04469	1.5
149.05986	0.5
151.00365	0.4
151.03960	5.4
151.07591	1.0
152.01080	4.0
153.01843	1.7
160.03973	2.6
161.02380	16.6
161.04401	2.6
162.02751	1.0
163.03989	0.5
163.06062	5.6
167.03511	1.0
175.02376	0.6
177.01898	0.6
178.02621	0.7
179.03459	81.3
180.03828	3.5
193.05023	1.3
194.05815	100.0
195.06197	5.2
199.97777	0.3
205.07187	0.7
209.08179	66.5
210.08504	4.4
211.09721	0.9
247.08379	2.7
253.05054	0.4
307.10416	2.9
315.07434	1.4
355.11905	0.8
385.18878	0.5
401.14706	2.2
424.97244	0.5
485.33521	0.4
509.13855	0.5
517.22394	4.5
517.31018	1.0
517.34070	0.9
518.23578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48257	0.2
59.01270	0.7
65.03834	0.5
67.01772	0.3
71.01283	0.6
79.53182	0.2
81.03400	0.3
91.05421	4.2
93.03367	1.0
97.02872	0.3
97.25910	0.2
98.19760	0.5
108.02079	0.4
109.02859	10.6
115.61965	0.3
118.73141	0.3
121.02867	5.2
123.04401	0.7
125.02408	0.3
133.02890	0.3
135.04442	44.3
136.04768	1.7
136.31972	0.3
137.02350	0.4
147.04440	0.9
149.02393	0.4
149.06047	0.5
150.03058	0.3
151.03937	2.1
156.65396	0.3
161.02367	0.9
161.05956	0.4
163.03954	3.2
175.04039	1.5
175.07571	0.3
177.09300	0.3
178.02769	0.3
187.07523	0.4
188.04681	0.5
189.05510	1.0
190.06422	0.4
191.07129	1.8
192.07840	0.8
193.08685	1.7
193.77531	0.2
201.09241	0.3
203.07155	2.4
204.07887	7.0
205.08656	5.4
206.09451	8.1
207.10025	1.4
209.06145	0.2
217.08736	1.2
218.09462	9.0
219.09927	0.9
220.07422	0.9
221.08115	0.4
227.07080	0.3
230.09473	1.4
231.10271	3.7
232.10638	0.4
233.11826	7.7
234.12225	0.5
245.11818	0.4
254.05951	0.5
265.10895	1.0
271.06201	1.4
279.06818	0.3
297.07758	1.8
322.12033	0.8
323.12842	2.0
325.10901	1.1
339.12494	1.1
340.13214	8.6
340.17160	0.6
341.13586	1.1
355.15573	100.0
356.15912	12.9
356.20392	0.4
427.14005	1.2
517.21252	7.7
517.32220	1.1
518.21832	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	517.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97945	0.6
55.01758	0.7
57.03334	8.7
57.08116	0.7
58.00465	1.7
59.01266	44.5
61.98705	2.4
65.00208	1.2
65.03844	1.7
67.01790	0.7
69.03345	0.9
69.27930	1.0
69.28329	5.8
71.01270	30.7
72.99200	3.6
73.02835	3.4
75.00764	1.3
81.03341	1.7
83.01280	4.8
83.04937	0.8
85.02837	6.0
87.00775	1.9
89.02340	28.3
91.01804	1.0
91.05441	1.6
93.03367	2.0
95.01286	2.5
97.02831	1.2
97.06518	0.6
99.00784	2.8
101.02344	14.7
107.04926	1.3
107.08580	1.4
108.02083	2.0
109.02859	15.4
109.06493	5.2
113.02359	10.0
115.03912	0.8
119.03435	7.4
119.04906	1.2
121.02875	4.2
123.04406	1.4
124.01581	13.5
125.02390	8.9
125.09639	8.2
131.03413	2.9
133.02896	5.7
135.00800	1.4
135.04448	17.6
136.04718	0.9
137.02379	4.8
141.88478	0.6
143.03404	1.9
147.04408	1.6
148.01546	0.8
149.02393	2.0
149.04497	3.2
149.05963	1.2
149.09653	7.9
150.03145	3.0
151.00272	1.2
151.03931	2.6
151.07581	6.1
153.01865	1.4
161.02400	39.1
161.04552	2.4
162.02812	2.1
163.00333	4.5
163.07643	0.6
164.00856	0.8
165.01923	0.9
173.06087	2.3
175.03957	1.4
175.97710	0.6
177.01924	0.9
177.05533	0.8
177.09067	0.7
179.03369	0.6
179.05659	3.1
187.04007	0.7
187.07635	2.2
189.09175	1.5
191.05565	0.9
191.07123	1.7
193.08682	100.0
194.09006	5.4
199.07640	0.7
203.07129	2.4
205.08731	1.6
213.05388	0.7
217.05098	6.8
217.08719	4.8
223.06375	2.1
233.08430	8.8
234.08627	0.6
235.09836	3.2
241.05011	1.0
245.04633	5.8
245.08253	1.6
267.06711	2.0
271.06085	0.7
281.07990	0.8
285.04007	1.2
287.05640	0.9
289.08350	1.1
293.08859	6.7
311.05557	0.8
322.12122	1.4
323.09125	1.0
337.10895	1.1
337.14447	6.6
338.14758	0.8
353.10056	1.7
354.10794	1.6
355.11926	81.0
356.12247	9.6
379.12134	1.8
397.13016	12.6
398.13083	1.3
427.13120	3.3
517.20746	39.1
517.32837	2.3
518.21051	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	517.1727
Annotation	Phellamurin
Peak:m/z	Relative Intensity
55.95888	0.4
57.03326	1.6
59.01265	13.8
60.99748	0.4
61.98405	0.4
61.98708	2.1
65.00200	3.6
68.99725	0.6
69.03349	0.5
71.01269	5.4
71.52247	0.7
72.99187	0.7
73.02834	2.0
75.00746	0.7
75.97951	0.4
77.37976	0.4
78.95798	0.4
83.01260	1.1
83.04905	0.5
85.02831	1.9
85.06500	0.5
87.00775	1.4
89.02348	2.2
93.03352	3.8
96.95907	0.4
97.02836	1.0
99.00768	1.3
101.02335	2.6
102.75630	0.5
107.01289	0.7
108.02046	0.9
109.02882	3.4
111.00851	0.4
113.02343	1.7
119.04942	32.5
120.05273	1.6
121.02857	1.3
121.06470	0.5
123.08125	2.2
125.02370	3.4
125.06012	1.2
131.04970	0.5
133.02818	0.6
133.46980	0.6
135.04474	3.3
137.02412	1.0
137.05972	0.9
141.09111	0.6
143.03462	0.8
145.02925	0.6
147.04500	0.5
147.08189	0.5
148.01604	0.5
149.02403	1.5
149.06033	6.7
151.00328	2.2
152.01093	0.5
161.02386	1.2
161.04553	0.8
161.06004	2.8
163.03943	0.9
164.04726	0.6
165.01733	0.4
165.05487	0.9
167.07074	2.4
173.06017	3.4
175.00328	1.0
175.03987	0.5
176.01088	1.7
177.01891	1.2
185.06059	0.6
187.03976	0.6
189.05521	0.7
190.02690	1.8
191.07114	4.7
201.05527	0.8
201.09177	0.8
203.03500	0.8
203.07217	0.6
205.05019	3.2
209.08096	1.0
217.05106	2.1
219.06610	0.6
223.09695	0.9
231.06631	1.0
235.06142	26.5
235.67685	0.5
236.06483	1.9
242.05840	0.5
243.06572	0.7
245.04558	0.8
249.07748	1.6
255.06622	1.3
259.06168	1.3
261.07678	1.4
269.04620	1.1
271.06226	1.6
277.07190	0.6
284.03339	0.9
285.04031	1.5
289.08411	1.9
297.04111	0.6
299.05753	0.7
311.04987	0.5
311.12851	1.1
318.05890	0.6
323.13080	1.4
325.10861	1.5
333.07974	0.8
337.10770	1.4
355.11932	100.0
356.12305	11.8
367.10358	0.8
395.35437	0.5
397.12811	1.5
427.13272	0.7
517.17542	5.1
517.32953	1.4
518.17517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46595	0.1
50.57433	0.2
57.03337	15.9
58.03673	0.3
59.01263	1.8
61.98714	0.4
62.28554	0.1
63.02298	0.2
65.00217	0.4
65.03842	0.3
66.46317	0.2
69.32684	1.4
69.33111	0.3
71.01280	0.7
73.02859	0.3
81.03352	2.4
83.01279	6.2
83.04867	0.2
84.01627	0.2
85.02851	0.6
86.89758	0.1
89.02331	0.3
91.05423	0.9
91.32145	0.1
93.03357	0.3
96.95893	0.1
98.20588	0.3
99.00782	0.3
99.04369	0.1
101.02333	0.3
104.09505	0.2
107.04921	0.4
108.02076	0.3
108.81241	0.2
109.02863	3.7
111.00813	0.1
113.02345	0.3
116.92837	0.2
119.03423	0.1
119.04935	0.2
121.02857	1.7
124.01598	0.4
125.02367	100.0
125.94512	0.2
126.02705	2.8
131.04948	0.3
133.02835	0.2
135.04446	8.4
135.67021	0.2
136.04768	0.3
137.02347	0.4
146.03667	0.3
147.04475	0.7
149.06026	0.5
151.00278	0.2
151.04019	0.2
154.86224	0.1
159.04497	0.2
161.02383	0.4
161.04567	0.2
161.05960	0.2
165.01883	0.4
173.06042	0.7
174.03149	1.0
175.03992	1.0
175.07433	0.2
177.01920	0.4
177.09091	0.2
187.07654	0.3
188.08391	0.5
191.07094	0.2
193.08691	0.3
206.02235	0.6
207.10304	0.5
213.09242	0.2
217.05061	3.7
218.05309	0.3
223.09784	0.3
229.08710	8.5
230.09299	1.8
233.11879	1.1
239.07231	0.2
245.11813	0.2
269.11810	0.3
281.08163	0.2
292.70398	0.2
310.43323	0.2
322.12170	0.2
337.14456	0.2
355.11786	2.3
355.15613	12.2
356.12085	0.3
356.15933	1.3
397.12799	0.2
427.13263	0.2
516.31610	0.2
517.17255	31.2
518.09814	0.2
518.17560	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	517.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.6
57.03331	1.6
58.00481	0.3
59.01266	10.2
69.27859	2.9
71.01270	34.0
72.01603	0.4
72.99197	5.9
73.02444	0.6
73.02839	10.2
75.00757	0.7
83.01273	4.3
85.02843	11.9
85.99996	0.4
87.00796	1.4
87.04404	0.5
88.86244	0.3
89.02335	4.2
94.40987	0.3
95.01295	1.9
96.95924	0.6
97.02851	0.9
99.00785	6.4
101.02345	18.4
102.02654	0.5
112.01559	0.5
113.02354	11.0
115.00281	8.4
119.03438	0.5
125.02341	1.3
127.00261	0.8
129.01833	0.7
131.03427	0.6
133.00391	0.5
133.01357	6.2
141.44698	0.3
143.03459	1.5
153.09189	0.3
159.02913	2.8
161.04500	12.7
161.09712	0.4
162.04825	0.6
165.09129	1.4
179.07072	0.4
179.10686	0.4
203.07071	0.4
205.03500	0.4
223.13354	0.4
247.08241	1.2
247.58276	0.3
269.10358	14.0
270.10626	0.8
394.06796	0.3
401.14578	100.0
402.14914	10.7
473.20520	0.7
499.14636	0.9
517.15332	4.8
517.23206	1.7
518.15948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01262	3.7
59.54700	0.3
61.98703	1.1
65.00201	4.1
65.03844	4.7
67.01775	2.2
69.80572	0.6
69.80981	1.7
71.01276	1.2
79.15643	0.3
83.01260	0.4
85.02853	1.0
87.00805	0.4
89.02339	0.5
91.01791	8.6
98.20517	0.4
99.00809	0.3
101.02334	0.6
103.05487	0.4
105.07007	1.1
107.04941	3.8
109.02863	47.6
110.03210	1.4
111.00800	0.3
118.54399	0.3
119.04982	0.7
121.02881	2.6
123.53109	0.3
125.02354	0.9
129.07050	1.8
130.93771	0.3
131.04962	5.9
133.02878	0.8
135.00809	21.2
135.04446	1.2
136.01134	1.2
141.31976	0.3
145.06546	0.6
147.04297	0.3
147.08075	1.0
149.06021	9.8
150.03171	0.3
150.06335	0.5
153.01880	17.9
154.02219	0.4
161.02440	1.7
161.04460	0.3
161.05942	0.4
163.00316	50.3
164.00639	2.5
172.05206	0.5
173.06021	13.1
174.06339	0.4
175.03986	3.1
177.01826	0.4
179.05634	0.4
189.05525	1.0
191.07123	4.4
193.08629	2.1
203.07100	0.6
215.07187	0.7
217.05051	100.0
218.05396	6.4
219.06532	0.6
231.06601	0.8
235.06081	0.8
245.04573	84.1
246.04926	5.7
257.08212	0.4
259.06161	2.9
287.05551	2.2
309.07602	0.5
311.72012	0.3
336.29559	0.3
337.07260	1.5
355.08325	0.6
355.15445	0.9
379.10260	1.4
407.09875	0.8
517.17047	0.6
517.33148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.9
57.22525	0.4
58.43139	0.5
58.50665	0.5
59.01265	56.3
60.01596	0.8
61.98715	1.7
71.01263	3.0
71.59278	0.7
73.02834	0.8
75.00784	0.4
83.04916	0.5
85.02827	1.4
85.52290	0.5
89.02333	2.0
95.01269	0.9
101.02333	2.1
113.02344	4.9
119.03358	1.3
121.10141	11.8
122.10479	0.5
125.09667	0.6
161.04500	1.2
171.10231	18.8
172.10536	0.8
185.11842	1.2
195.13914	0.7
207.26390	0.5
231.21173	2.0
232.36041	0.5
249.63165	0.5
259.47046	0.6
275.20218	38.7
276.20563	4.5
293.21289	100.0
294.21597	9.5
299.20230	0.8
317.21262	1.4
335.22360	0.8
347.22556	0.7
515.30212	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	515.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32522	0.1
51.01616	0.1
55.01770	0.2
57.03341	0.1
59.01262	5.5
59.52489	0.1
61.98697	0.1
69.03356	0.1
69.60242	0.8
71.01269	3.9
72.99206	0.4
73.02837	0.9
78.95789	0.8
83.01283	0.5
85.02847	1.0
87.00755	0.6
89.02331	2.8
91.03936	0.2
95.01276	0.3
97.02857	0.2
98.19685	0.1
99.00786	0.3
101.02345	4.2
101.03021	0.2
102.02687	0.1
113.02356	1.8
119.03416	0.8
125.02373	0.2
131.03450	0.1
131.62389	0.1
133.04999	0.2
143.03453	0.4
152.99525	1.8
157.80324	0.1
161.04494	1.7
172.63245	0.1
179.05580	0.5
198.88794	0.1
235.08264	0.8
253.09320	15.0
254.09608	0.7
261.22150	0.1
279.23337	100.0
280.23685	10.0
433.23660	0.4
515.30194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87845	0.7
52.45702	0.7
53.51555	0.6
55.01784	0.9
57.03339	76.3
58.00465	0.8
58.03683	0.8
59.01267	100.0
60.01611	1.1
60.28724	0.6
61.98721	5.5
68.99679	0.8
71.01271	20.3
71.04906	1.3
71.54687	0.9
72.99197	1.9
73.02843	6.9
75.00768	1.6
79.91344	0.7
81.03360	1.3
83.01276	4.4
83.04922	2.0
85.02843	9.3
85.06483	0.7
87.00777	2.8
89.02325	8.7
90.95905	0.7
93.03382	2.6
95.01299	2.0
97.02875	1.4
97.06474	0.8
99.00796	3.1
99.04420	76.4
100.04788	2.1
101.02353	27.8
101.05970	1.1
103.30029	0.6
109.02843	0.9
111.00817	1.0
111.04449	1.0
111.08126	0.9
113.02360	10.5
119.03429	3.6
119.04925	1.4
121.02861	1.4
123.04427	0.9
123.08146	0.8
125.02370	25.1
126.02722	1.2
127.03968	2.7
131.03500	1.1
131.07097	2.9
135.04475	0.8
137.02361	5.5
137.05905	0.8
139.07571	1.3
141.01935	0.9
141.09166	3.0
143.03407	3.1
151.00330	0.7
151.07600	0.9
152.01181	0.9
159.03053	0.8
161.04558	4.3
167.41232	0.6
179.05688	1.9
188.01123	0.9
220.10335	0.6
245.56456	1.0
253.05197	1.0
255.27650	0.7
269.04584	1.1
271.06223	1.5
281.05014	0.8
282.02542	0.6
282.05460	2.6
283.02945	1.0
293.04620	1.0
294.05438	1.8
295.02747	1.4
295.06107	1.6
309.04483	0.8
309.07843	1.7
335.05597	0.7
335.09509	1.3
338.08063	2.7
353.10345	15.3
353.14413	1.3
353.19724	1.6
353.23682	1.1
354.10858	1.3
371.20859	11.8
372.21112	1.0
395.11539	2.7
407.11862	1.0
413.21786	6.7
414.22266	0.8
415.19919	0.9
425.12766	5.7
453.24942	1.4
453.32214	0.9
455.30313	2.2
471.33215	5.1
497.15482	0.8
497.31665	1.0
515.15948	8.2
515.25409	15.6
515.32587	7.1
516.16626	1.6
516.25409	1.6
516.32947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2147
Annotation	hesperadin
Peak:m/z	Relative Intensity
55.01771	9.4
55.46361	0.8
57.03339	4.6
58.00475	1.8
59.01265	34.0
70.82826	0.8
70.83165	1.7
71.00896	1.4
71.01273	21.6
72.99203	1.3
73.02839	27.5
81.03355	2.3
82.71770	0.8
83.01277	100.0
84.01608	1.8
85.02850	8.2
87.04419	8.3
89.02334	12.8
95.01278	1.8
97.02847	1.7
99.00779	19.3
99.04407	1.9
101.02348	78.3
102.02703	1.9
113.02356	8.1
115.03931	1.1
119.03427	4.3
125.02341	4.0
127.00294	39.6
128.00583	0.8
137.40840	0.7
143.03502	1.1
155.75981	0.7
161.04552	1.1
167.28911	0.7
173.09624	0.9
179.05582	0.9
189.12804	8.0
190.13084	1.0
193.16409	0.9
207.13918	1.1
515.21448	95.9
516.21820	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	515.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.5
57.03321	2.6
59.01265	19.3
61.98709	1.4
71.01270	18.4
72.99198	1.7
73.02836	13.2
75.00764	0.8
81.03343	3.3
83.01276	60.7
84.01624	1.3
85.02846	7.0
87.00771	2.0
87.04395	3.3
89.02345	11.7
95.01257	1.1
96.95894	1.5
97.02834	1.7
99.00778	12.8
99.04421	2.7
100.33263	0.7
101.02344	55.8
102.02715	1.5
108.02077	0.9
109.02774	0.8
111.00803	0.6
111.04414	1.3
113.02367	6.0
115.03935	1.0
119.03429	3.2
119.04979	0.7
119.67339	0.6
125.02376	5.3
126.02643	0.7
127.00289	31.4
127.05035	0.6
128.00677	0.9
128.03386	1.0
131.03458	0.9
134.03703	0.8
135.04477	0.7
136.01579	0.6
143.03429	2.0
145.01363	4.9
149.02359	0.7
149.04480	2.9
150.03120	0.9
151.03937	1.4
152.01079	1.7
153.01837	0.8
161.04506	2.0
165.05502	1.2
177.01762	0.6
179.03584	0.6
189.12755	3.1
191.05528	1.1
195.06647	0.8
209.49716	0.6
241.05154	0.8
247.04607	1.9
256.07422	1.1
271.09723	1.2
307.06839	7.6
387.20520	0.9
467.17194	1.0
515.21436	100.0
516.13953	0.6
516.21771	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	515.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88101	0.9
52.72600	0.9
57.03341	4.7
59.01268	25.8
61.98709	4.8
62.47437	0.8
69.03339	0.9
70.06425	0.9
71.01266	7.8
71.04907	1.1
71.24854	1.0
71.54293	1.0
71.54669	1.4
73.02839	1.9
83.01276	2.9
83.04919	2.2
85.02843	3.8
85.12393	1.0
87.00774	1.3
89.02360	2.8
93.33849	1.0
95.01302	1.1
96.95937	2.0
99.00798	1.9
99.04408	4.5
101.02341	6.5
107.04964	1.0
109.02886	1.3
113.02360	4.1
113.06030	0.9
117.03371	0.9
119.03391	1.0
119.04953	2.4
121.02904	2.0
122.56624	0.8
123.04443	1.2
125.02366	3.3
125.05950	0.8
127.03932	3.0
133.02890	1.8
135.04465	1.5
135.73123	0.8
137.02475	1.1
137.06021	2.3
139.07584	1.2
141.05539	1.3
143.03362	1.1
149.02437	1.2
151.00294	1.0
161.02419	1.5
161.04492	2.4
170.87756	0.8
177.01846	0.9
187.13364	1.1
188.01112	3.3
200.01141	2.0
201.01909	2.5
215.03430	0.9
225.05469	1.1
226.06445	1.2
241.05008	1.0
243.06754	1.2
253.05162	2.5
269.04590	1.4
281.04691	4.3
282.05310	1.4
283.06241	6.6
295.06091	6.9
296.06894	3.3
297.04123	3.6
297.07809	3.5
298.04898	2.0
309.04111	37.3
310.04556	3.9
314.04596	1.4
328.05896	2.8
330.03909	2.0
335.05704	1.2
335.09442	1.8
337.07355	3.3
352.09570	25.5
353.10352	100.0
354.10770	10.6
355.08365	2.8
365.10406	1.6
367.11948	1.2
386.06680	1.9
395.11343	10.4
396.11752	1.2
407.11395	2.5
425.12567	40.5
426.12961	3.8
437.12656	1.7
439.13925	1.2
453.31940	1.2
455.13690	2.8
455.30362	3.1
456.14084	1.3
470.32538	2.0
471.33365	3.1
479.13718	1.3
497.14694	2.9
514.35071	1.1
515.15765	32.2
515.32458	16.4
516.16132	5.2
516.32874	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	515.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.1
59.01262	7.6
61.98718	4.0
65.00208	1.0
65.03841	0.8
68.99680	1.8
71.01272	4.1
71.56612	0.9
72.99203	1.8
73.02836	1.5
83.01263	2.0
85.02850	2.8
89.03857	0.7
95.01255	0.7
97.06534	0.7
99.00761	1.2
99.04420	0.9
101.02320	2.2
105.07092	0.5
108.02110	1.0
109.02864	4.7
109.06490	1.1
113.02357	1.6
121.02869	2.7
123.04401	0.7
125.02330	1.0
125.59300	0.6
126.02921	0.5
131.01295	1.5
133.02867	5.5
133.06505	4.0
135.00792	0.8
135.02881	0.8
135.04454	12.2
140.84315	0.6
147.04416	0.7
148.01534	1.7
149.02385	1.8
149.99496	2.0
151.07576	6.2
152.07950	1.1
159.04433	1.4
161.02330	1.9
161.04495	1.2
162.06799	0.9
163.00351	3.0
171.04453	1.9
173.05978	0.8
175.00319	5.7
175.03955	4.2
175.07539	1.8
176.01088	2.4
177.01875	1.1
187.04019	1.5
189.05547	1.3
190.06419	2.9
191.07082	2.3
198.03238	1.5
199.03882	1.6
201.01918	1.4
201.05534	1.0
203.03423	1.5
203.07024	0.7
213.09030	0.8
215.03499	7.2
216.03951	0.8
217.04984	1.2
218.05801	2.0
219.06628	11.1
227.03606	1.0
229.05333	0.6
231.10263	2.0
233.09825	0.7
237.05452	0.7
239.03468	2.3
239.80411	0.7
240.04225	1.5
241.05017	0.7
253.05029	1.2
253.08980	0.6
265.04947	1.0
266.05692	0.9
267.06577	0.7
269.04547	1.8
270.05353	0.9
279.10336	0.8
281.04602	2.5
281.08002	0.9
282.05472	1.2
283.06619	0.8
283.09869	1.5
284.03287	1.1
285.04218	0.9
285.11371	1.6
295.06012	1.2
297.04059	2.2
298.05042	0.8
308.10626	0.9
309.04135	9.4
309.07684	0.9
309.11475	1.8
310.04672	0.8
316.24655	0.7
321.11316	0.7
323.05688	1.2
325.10870	2.5
337.10764	1.6
338.11493	1.4
351.08682	1.0
352.09567	15.9
352.13254	1.1
353.10257	32.4
353.14056	28.6
354.10541	3.4
354.14398	2.1
365.10364	1.3
367.11807	1.9
395.11386	2.8
407.11362	1.8
411.75568	0.7
425.06891	0.9
425.12540	14.9
426.12790	1.5
443.29999	1.0
455.13446	1.0
455.29984	2.0
485.74866	1.0
494.03650	0.6
514.31836	1.1
515.15637	100.0
515.31976	12.2
516.15967	15.4
516.32782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1569
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
59.01271	2.8
61.98706	0.7
71.01257	1.0
73.02834	0.3
74.42632	0.2
83.01266	0.3
85.02812	0.3
87.00781	0.2
94.13009	0.2
98.68649	0.2
99.00774	0.4
101.02334	0.3
106.18815	0.2
109.02845	0.4
121.02878	1.0
133.02888	1.0
133.06482	0.5
135.04489	0.5
136.01610	0.3
137.02301	0.2
145.02910	0.4
147.04475	1.7
148.01575	0.6
149.02371	1.0
150.03041	0.3
151.03969	0.2
151.07582	1.3
152.07924	0.6
159.04520	0.3
160.01617	0.8
163.00375	0.3
169.08598	0.3
173.02344	0.3
173.06012	0.2
175.00371	1.0
175.03972	1.3
175.07455	0.2
176.01074	0.4
180.41092	0.3
187.03845	0.3
188.01123	5.7
189.01854	1.1
190.02707	0.2
197.05887	0.2
199.03961	0.3
200.01137	2.0
201.01900	4.8
202.02403	0.6
205.05083	0.5
209.06073	0.2
211.13365	0.3
217.05070	0.3
219.06583	1.2
224.04840	0.2
225.05566	1.1
227.03433	0.4
237.05563	0.8
239.03528	0.5
240.04324	0.5
241.05099	0.9
242.05733	0.3
243.06628	0.7
245.08316	0.6
253.05072	2.4
254.05869	0.5
255.03003	0.4
263.03613	0.3
265.05066	1.3
267.03076	1.2
267.10107	0.3
268.03769	0.2
269.04520	1.6
270.05331	1.4
275.09998	0.2
280.03775	0.5
281.04581	2.6
282.05124	0.5
284.03101	0.5
291.03210	0.4
292.03616	0.2
293.04614	0.3
293.07993	0.3
295.09711	0.3
296.03287	0.3
297.04123	5.4
297.11453	1.1
298.04788	2.5
302.04156	0.3
308.03235	0.6
309.04108	44.6
310.04547	5.5
310.08154	0.4
311.05499	0.3
323.05701	0.3
325.10849	3.9
326.11206	0.5
330.03857	2.0
333.07953	0.4
335.09418	0.4
337.07343	1.4
338.07852	0.8
351.08826	1.5
352.09583	26.1
353.10352	100.0
354.10715	11.1
395.11172	0.3
452.34708	0.6
453.34290	0.3
515.15686	83.1
516.16034	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	515.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.3
60.01579	0.2
61.98718	0.9
65.00209	0.2
70.92123	0.2
70.99924	0.3
71.01266	0.7
72.99191	0.1
73.02838	0.1
85.02842	0.5
87.00780	0.2
89.02316	0.2
91.05528	0.1
93.03360	0.3
99.04443	0.2
101.02355	0.5
108.02078	0.3
109.02868	0.5
109.06505	0.3
113.02335	0.4
119.04916	0.1
121.02872	0.6
124.79700	0.1
125.02357	0.2
133.02872	0.6
133.06551	0.3
134.03687	0.2
135.04463	1.2
136.05171	0.1
143.03247	0.2
145.02853	0.2
147.04401	0.3
148.01595	0.5
149.01213	0.2
149.02377	0.6
149.06030	0.1
151.07603	0.6
152.07932	0.3
159.04436	0.2
160.01631	0.6
161.02278	0.2
161.04495	0.2
163.00323	0.3
163.07614	0.2
167.03545	0.2
171.04529	0.2
175.00314	0.4
175.03975	0.5
175.07597	0.4
176.01079	0.2
177.01907	0.3
187.04074	0.3
188.01114	2.4
189.01910	0.9
199.03983	0.4
200.01057	0.8
200.04749	0.2
201.01923	3.7
202.02457	0.3
203.03297	0.2
203.07175	0.2
208.69751	0.1
211.04073	0.2
212.04695	0.2
213.05664	0.3
214.06174	0.2
216.04132	0.2
219.06621	0.6
224.04736	0.4
225.05559	0.6
226.06195	0.2
227.03607	0.4
228.04332	0.2
229.05142	0.4
237.05536	0.6
239.03499	0.3
240.04250	0.3
241.05032	1.1
242.05797	0.4
243.06613	0.5
245.08224	0.6
253.05109	1.5
254.05713	0.3
255.03088	0.2
265.05054	0.5
266.05823	0.3
267.02994	0.9
269.04645	1.0
270.05359	1.3
279.02826	0.2
280.03854	0.2
281.04642	1.5
281.11914	0.2
282.05359	0.3
282.08862	0.2
284.03345	0.5
285.04321	0.2
291.03116	0.2
293.04822	0.3
295.09555	0.2
297.04120	2.9
297.11334	1.0
298.04868	1.8
299.05429	0.3
302.04391	0.3
308.03381	0.4
309.04105	19.0
310.04660	2.8
310.08505	0.3
323.05582	0.2
323.09213	0.3
325.10840	4.4
326.11090	0.4
330.03845	1.7
337.07147	0.7
338.07974	0.5
351.08838	0.6
352.09583	13.3
353.10358	100.0
354.10693	11.3
384.08914	0.2
452.34781	0.3
462.74701	0.3
515.15674	22.0
515.31622	0.5
516.16071	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03814	1.3
57.03337	2.1
59.01265	46.7
59.39334	1.5
60.32983	1.2
60.92921	1.2
71.01267	42.4
71.58005	2.4
72.99185	3.5
73.02834	2.9
75.00755	3.5
78.95778	3.0
80.48035	1.2
83.01280	3.7
85.02817	6.2
87.00771	4.2
87.61568	1.2
89.02336	43.7
93.03380	1.4
97.02878	1.2
99.00764	5.2
99.04455	1.3
101.02341	21.0
102.05515	4.8
111.00757	3.9
111.04394	3.3
112.98727	9.8
113.02359	15.9
115.00288	3.1
119.03413	14.7
119.04882	1.6
124.98741	1.6
128.07060	4.6
129.01837	4.6
129.05489	3.2
130.05055	1.8
131.03464	2.3
131.08182	3.2
134.62419	1.3
142.99779	18.2
143.03433	3.7
145.01323	1.8
149.04578	2.7
161.04526	6.1
172.06030	7.8
173.00877	10.7
173.04468	9.5
173.06395	4.0
173.07896	2.3
173.09286	8.1
174.04041	3.2
174.07648	9.5
179.05589	20.9
191.01869	1.9
217.12492	1.5
265.18121	1.5
333.95605	1.6
341.10947	100.0
342.11304	8.0
387.49557	1.4
398.17896	3.4
399.18192	3.5
451.49002	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	514.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14890	0.1
59.01257	0.6
60.16028	0.1
61.98717	100.0
62.98431	0.1
69.29305	0.8
71.01287	0.3
83.01290	0.1
83.04939	0.1
87.00771	0.1
89.02342	0.1
98.02680	0.1
101.02374	0.3
108.02110	0.1
222.49274	0.1
332.45789	0.1
452.33560	0.1
453.33676	0.3
454.23923	0.2
454.33771	0.6
514.32678	0.4
515.21765	0.1
515.32697	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1206
Annotation	Formononetin 7-O-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
51.09258	0.1
51.39544	0.1
53.09315	0.1
57.03346	0.7
59.00991	0.2
59.01262	3.2
61.98424	0.1
61.98717	1.6
65.00212	0.2
67.01782	0.1
69.03342	0.2
71.01265	1.0
71.56517	0.2
72.99186	0.2
73.02829	0.5
75.00784	0.2
76.40079	0.1
83.01289	0.2
83.04939	0.1
85.02840	0.5
87.00760	0.3
89.02335	0.5
89.03858	0.2
91.01779	0.2
93.03355	0.7
96.95914	0.2
97.06493	0.2
99.04413	0.7
101.02325	0.9
107.04956	0.2
108.02073	0.2
109.02856	0.4
111.04438	0.3
113.02363	0.4
117.03387	0.5
118.06487	0.1
119.03403	0.2
119.04955	0.3
121.02859	1.4
123.04443	0.4
123.08099	0.1
125.02370	0.6
125.06010	0.2
129.07004	0.3
131.01300	0.1
131.04977	0.3
132.02063	0.2
133.02870	3.5
133.83560	0.1
134.03630	0.1
135.04439	0.7
137.02370	0.6
139.03914	0.2
139.07584	0.1
141.09137	0.9
145.02910	0.2
147.04514	0.2
148.01598	0.2
149.02371	0.5
149.06027	0.3
151.07616	0.1
153.05449	0.2
154.04144	0.2
157.02867	1.1
158.07512	0.2
159.03122	0.1
159.04471	0.5
161.02394	0.2
161.04576	0.1
171.04436	0.2
173.02429	0.3
173.06009	0.4
175.00337	0.5
175.03932	0.2
177.01854	0.3
182.03688	0.1
183.04459	0.4
187.03979	0.2
189.05562	0.3
191.07088	0.2
193.06699	0.2
195.08098	0.3
197.06111	0.2
198.03168	0.5
199.03960	0.5
200.01131	0.5
201.00073	0.3
201.01913	3.9
202.02283	0.2
206.07462	0.3
207.08142	0.5
209.06078	0.6
216.04182	0.2
219.02995	0.5
221.06165	0.2
223.07697	0.3
224.04791	0.2
225.05586	0.2
226.02727	1.9
227.03503	2.9
228.03970	0.2
229.01414	0.5
233.06111	0.2
235.04016	0.3
235.07608	0.5
237.05626	0.6
239.03450	0.2
239.07130	0.2
240.04327	0.2
241.04979	0.9
244.03813	1.8
245.04515	2.1
246.06833	0.1
247.11250	0.2
248.04793	0.2
249.05623	0.5
249.09007	0.1
250.06360	0.3
251.03670	0.3
251.07130	0.8
252.04300	0.3
253.05135	0.7
254.05629	0.2
259.82245	0.1
261.05569	0.4
263.03607	0.1
263.07187	0.8
264.04279	0.3
265.05081	0.8
266.05963	0.1
267.02997	0.2
267.06744	0.8
267.09186	0.1
268.03973	0.2
269.04523	0.2
271.02036	0.1
277.05081	0.3
277.08746	0.1
278.05862	0.3
279.03094	0.3
279.06644	1.2
280.03836	0.3
280.07031	0.2
281.04681	1.2
282.05310	0.7
283.06100	0.3
289.05115	0.4
290.05765	0.5
291.03351	0.2
291.06674	1.2
291.10123	0.3
292.03799	0.3
292.07086	0.2
293.04636	4.6
294.05060	0.7
295.06177	14.8
296.06546	1.0
297.07730	0.3
305.04681	0.3
306.05350	0.3
307.06119	1.3
307.09729	0.3
308.06924	0.3
309.04111	3.3
309.07700	0.5
309.11237	0.8
310.04733	0.5
311.05618	0.4
314.04437	0.6
317.04736	0.3
317.08160	1.5
318.05267	0.2
319.06155	1.0
320.06702	0.3
321.07639	0.3
322.08432	0.5
323.05954	0.5
323.09290	10.8
324.09702	1.0
325.07263	0.3
325.10965	0.5
333.07770	0.2
334.04886	0.3
335.05618	9.6
335.09372	9.4
336.06110	1.2
336.09726	0.9
337.03574	0.3
337.07266	0.6
338.04346	0.2
347.09360	0.2
352.05783	0.5
352.09592	2.1
353.06686	100.0
353.10431	18.1
354.07019	9.4
354.10800	1.8
367.11905	0.2
377.10394	0.9
395.11234	0.8
407.11664	0.2
425.12759	1.3
457.11499	3.1
458.11548	0.3
471.29822	0.4
485.14661	1.5
486.15231	0.2
497.14853	0.5
497.31512	0.2
514.30890	0.3
515.16284	6.1
515.28741	0.6
515.31830	0.7
516.15637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
56.54552	0.0
57.03333	0.2
58.00476	0.3
59.01265	6.6
60.01595	0.1
60.77311	0.0
67.01819	0.0
68.99712	0.0
69.03340	0.1
70.71364	0.1
71.01270	5.2
72.01621	0.1
72.99178	0.3
73.02835	1.1
75.00760	0.1
81.03356	0.1
83.01278	0.6
83.04909	0.2
85.02844	1.1
85.28718	0.0
85.99979	0.0
87.00770	0.6
89.02338	3.5
90.02662	0.0
91.03899	0.2
95.01281	0.4
96.46405	0.0
97.02868	0.2
97.06522	0.1
99.00778	0.3
99.04458	0.1
101.02347	4.5
102.02657	0.1
103.03911	0.1
111.00796	0.0
111.04478	0.0
112.01556	0.0
113.02360	2.2
113.06017	0.1
114.02682	0.0
115.03928	0.1
119.03416	0.9
125.02356	0.2
127.03930	0.0
127.07578	0.3
129.01823	0.0
131.03464	0.2
133.04984	0.3
141.09117	0.1
143.03427	0.4
145.04988	0.1
149.04485	0.1
152.99506	0.1
157.05064	0.2
161.04503	1.6
162.04817	0.0
179.05579	0.5
182.13274	0.1
187.06180	0.1
191.10693	0.0
205.19606	0.1
217.07071	0.1
233.15398	0.1
233.22736	0.4
235.08238	1.4
236.08449	0.1
253.09323	16.6
254.09703	0.8
259.20648	0.4
275.20108	0.3
277.21771	100.0
278.22110	9.9
278.24460	0.2
355.63211	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98915	0.1
55.01778	0.3
55.83653	0.1
57.03349	0.1
58.00494	0.2
59.01263	5.7
62.11340	0.1
69.03352	0.1
70.74778	0.1
70.75122	0.1
71.01271	4.7
71.31098	0.1
72.99189	0.3
73.02837	1.0
78.95795	2.1
81.03347	0.1
83.01280	0.5
83.04929	0.2
85.02841	1.2
87.00758	0.6
89.02337	3.4
91.03920	0.1
95.01297	0.4
96.96877	0.2
97.02885	0.1
99.00809	0.3
99.04456	0.1
101.02346	4.5
102.02717	0.1
103.03941	0.2
113.02357	2.0
113.06023	0.1
115.03931	0.2
119.03423	1.1
125.02387	0.2
127.07594	0.2
131.03464	0.1
133.05022	0.4
143.03438	0.4
145.05003	0.1
150.04897	0.1
152.99533	3.5
157.04997	0.1
161.04510	1.6
171.00632	0.2
179.05556	0.6
182.13174	0.1
193.47838	0.1
205.19589	0.1
233.15247	0.1
233.22803	0.4
235.08231	1.4
236.08833	0.1
253.09325	16.5
254.09683	0.8
259.20706	0.3
275.20041	0.3
277.21771	100.0
278.22119	9.9
431.22070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64017	0.5
55.01768	0.7
57.03336	86.9
58.00483	1.9
58.03674	1.6
59.01263	100.0
60.01611	1.1
61.98716	2.0
69.03331	0.8
71.01270	38.0
72.99209	2.9
73.02835	19.7
73.03250	0.9
75.00766	0.7
79.05434	0.5
81.03347	3.1
83.01267	9.5
83.04911	1.1
85.02838	8.4
87.00779	2.6
89.02334	24.5
93.03408	0.7
95.01282	2.5
95.04932	0.6
97.02868	1.0
97.06486	1.0
99.00766	1.2
99.04416	98.3
100.04779	2.3
101.02345	49.1
102.02676	1.5
108.02092	1.1
109.02882	3.0
109.06481	1.0
111.04404	1.0
113.02354	19.2
113.05984	1.6
115.03890	0.5
119.03411	10.2
119.04921	2.2
121.02877	1.9
121.06483	1.6
123.04433	6.0
125.02364	45.0
126.02689	1.5
131.03441	2.9
135.04453	5.4
135.08113	0.7
137.02397	0.6
137.09647	9.6
138.09952	0.7
141.05470	1.6
143.03426	6.7
147.04402	0.8
149.04514	5.6
151.00293	1.3
151.07564	1.2
152.01036	1.1
153.01863	0.9
153.05464	2.1
155.03371	0.8
161.04506	17.1
163.07622	0.6
165.05556	0.6
165.09143	0.6
167.07138	1.0
177.01862	0.7
179.05603	8.7
179.07100	0.6
189.12799	1.4
193.08681	1.3
203.05565	1.6
207.13869	1.0
209.11798	0.7
221.06648	3.6
222.06738	1.3
229.08209	0.6
233.06364	0.5
261.09668	0.7
263.07675	2.3
269.04572	0.6
270.08890	0.6
308.06992	0.6
315.12473	8.8
316.12582	0.9
323.09845	2.9
351.08160	0.8
369.18976	1.6
411.20096	1.3
423.12976	1.0
431.63419	1.5
449.28970	0.6
453.13861	1.6
453.23981	0.8
469.23981	1.2
469.31693	1.2
477.17398	1.6
495.29755	1.1
513.13666	1.9
513.23120	11.5
513.30505	9.5
514.23389	2.0
514.30615	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	513.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.0
57.03339	56.4
57.60027	0.9
58.00452	1.5
59.01266	100.0
60.01589	1.9
61.98715	13.7
69.03320	2.2
70.92823	1.4
70.93176	2.2
71.01273	35.3
71.04884	1.4
72.99192	2.1
73.02454	1.3
73.02837	17.9
75.00758	2.1
79.05401	1.1
79.33138	1.2
81.03323	2.0
82.48127	0.9
83.01276	6.9
83.04927	1.7
83.91030	0.8
85.02843	10.4
85.06454	1.4
87.00749	3.6
87.04421	1.2
89.02336	18.9
92.28310	1.0
95.01273	2.0
95.04914	1.4
96.95909	1.1
97.02821	2.0
97.06474	2.3
99.00744	3.0
99.04420	64.3
99.80412	1.0
100.04742	1.7
101.01717	1.9
101.02348	36.6
101.05935	1.1
108.02049	1.3
109.02816	1.2
109.06480	1.4
111.00760	1.1
111.04374	2.0
111.08070	1.4
113.02357	14.2
113.05994	1.6
114.02735	1.0
119.03407	5.9
119.04911	2.1
121.06518	1.8
123.04457	5.9
123.08067	1.2
125.02374	27.6
125.05972	2.9
129.01866	6.4
131.03391	1.6
135.04405	1.8
135.07977	1.5
136.05191	1.4
137.02367	1.2
137.05966	2.6
137.09648	8.1
139.03885	1.2
139.07549	1.3
141.01746	0.9
141.05475	2.3
141.09138	5.2
143.03380	4.4
145.02769	0.9
149.04463	2.9
149.05972	1.8
151.00296	1.3
151.03966	1.1
151.07610	5.1
153.05502	1.1
153.09122	1.4
155.03442	1.3
161.04488	13.9
163.00261	1.2
163.03937	1.6
165.05455	1.7
165.12762	1.5
177.05589	1.1
179.05605	6.8
187.07549	1.1
203.05417	1.5
209.11838	7.8
221.06549	2.1
263.07623	3.9
269.04459	1.3
287.56885	1.1
323.09760	5.3
335.18124	1.1
369.19269	1.1
439.26379	1.8
451.30280	2.9
469.32147	13.2
495.18616	2.5
495.29544	3.4
513.13599	5.0
513.23340	5.0
513.30566	37.6
514.30377	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	513.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.5
59.01267	10.5
61.98715	2.6
69.18341	4.6
69.36327	0.4
71.01274	13.0
72.99203	1.1
73.02837	9.8
75.00755	0.9
81.03368	1.2
83.01278	43.1
83.04916	0.7
84.01620	0.5
85.02847	3.1
87.00807	0.8
87.04421	3.2
89.02337	3.9
89.38268	0.4
95.01299	0.6
95.04967	0.7
97.02848	1.4
99.00777	10.0
99.04433	0.8
101.02348	50.4
105.07021	0.5
108.78549	0.4
111.00799	0.5
113.02351	4.2
115.23721	0.4
119.03412	1.2
123.04430	0.8
123.08123	0.5
124.62782	0.4
125.02369	2.0
126.68655	0.5
127.00297	25.0
128.00670	0.5
135.02913	0.5
136.05237	1.2
138.06787	1.8
139.07585	0.5
143.03477	0.8
145.01387	0.6
148.50146	0.4
151.07578	1.8
152.08385	2.8
153.09154	7.8
159.02907	0.6
161.04504	2.8
161.09622	2.0
163.11244	0.9
175.02431	0.4
177.01907	0.5
179.10745	2.3
190.09979	0.5
203.09267	0.4
205.12337	7.9
206.12549	0.5
223.13351	1.6
271.09708	0.6
307.17886	2.5
385.18637	1.0
453.23547	6.5
454.24478	0.5
491.15436	0.4
513.19891	100.0
514.12628	0.8
514.20251	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	513.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97617	0.4
55.01768	2.8
58.00497	0.6
59.01268	11.4
61.98708	1.2
69.03335	1.3
69.24744	0.4
70.69057	1.1
70.69414	0.8
71.01272	10.7
71.04902	0.8
72.99210	1.4
73.02831	5.6
75.00777	0.6
81.03350	8.2
81.03823	0.5
83.01278	45.4
83.04915	4.6
84.02058	0.8
85.02859	3.4
87.00757	1.1
87.04411	6.3
89.02335	5.0
93.03342	0.8
95.01274	1.2
95.04932	0.7
97.02852	5.6
99.00777	11.6
99.04426	8.2
101.02348	51.2
102.02691	1.2
110.02369	0.5
111.04427	2.9
113.02345	4.4
115.03926	1.0
119.03407	1.7
119.04896	0.6
121.06512	0.5
123.04432	0.7
125.02369	14.4
127.00294	29.1
128.00735	0.5
132.77890	0.5
135.04393	0.6
141.01866	0.6
143.03432	3.8
145.01366	21.0
146.01703	0.7
155.03435	0.7
161.04489	0.6
161.09685	0.8
173.04478	1.2
179.05617	0.6
179.10738	1.8
185.04442	0.5
185.65503	0.4
187.02448	1.3
205.12254	0.7
217.03485	0.8
223.13559	0.4
247.04619	8.0
263.07724	0.4
307.06784	22.9
308.07156	1.2
394.49493	0.5
428.86523	0.5
495.18890	0.6
513.19873	100.0
514.20258	13.7
526.03345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05716	1.3
53.87268	1.2
58.88297	1.3
59.01263	3.1
61.98717	5.3
64.85788	1.2
71.01270	12.9
71.53020	1.8
72.21319	1.3
79.01230	1.3
83.06041	2.1
85.02839	1.7
87.00793	1.9
89.02334	2.0
93.02840	1.2
93.03333	7.5
101.02334	2.0
102.23990	1.2
105.63933	1.3
115.00287	8.3
117.03381	1.4
119.04943	42.8
124.04056	1.2
132.05769	1.4
133.01347	5.5
133.06537	2.6
134.57613	1.5
143.04938	2.3
145.02992	1.7
147.04475	2.0
163.03967	10.7
165.01848	1.2
173.70613	1.3
185.09399	1.6
195.06642	1.8
210.06853	2.4
211.07637	39.6
212.08081	2.9
233.12988	26.9
234.13258	1.6
237.09402	3.6
239.10747	1.8
247.14537	4.8
248.64050	1.3
265.08737	9.1
285.12497	6.5
333.11444	1.3
372.10297	1.4
379.16724	12.3
397.17767	100.0
398.18173	12.9
513.20184	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	513.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.5
59.01267	10.5
61.98715	2.6
69.18341	4.6
69.36327	0.4
71.01274	13.0
72.99203	1.1
73.02837	9.8
75.00755	0.9
81.03368	1.2
83.01278	43.1
83.04916	0.7
84.01620	0.5
85.02847	3.1
87.00807	0.8
87.04421	3.2
89.02337	3.9
89.38268	0.4
95.01299	0.6
95.04967	0.7
97.02848	1.4
99.00777	10.0
99.04433	0.8
101.02348	50.4
105.07021	0.5
108.78549	0.4
111.00799	0.5
113.02351	4.2
115.23721	0.4
119.03412	1.2
123.04430	0.8
123.08123	0.5
124.62782	0.4
125.02369	2.0
126.68655	0.5
127.00297	25.0
128.00670	0.5
135.02913	0.5
136.05237	1.2
138.06787	1.8
139.07585	0.5
143.03477	0.8
145.01387	0.6
148.50146	0.4
151.07578	1.8
152.08385	2.8
153.09154	7.8
159.02907	0.6
161.04504	2.8
161.09622	2.0
163.11244	0.9
175.02431	0.4
177.01907	0.5
179.10745	2.3
190.09979	0.5
203.09267	0.4
205.12337	7.9
206.12549	0.5
223.13351	1.6
271.09708	0.6
307.17886	2.5
385.18637	1.0
453.23547	6.5
454.24478	0.5
491.15436	0.4
513.19891	100.0
514.12628	0.8
514.20251	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	513.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33433	0.3
59.01261	0.5
61.98704	1.2
70.02875	0.4
71.01268	10.7
71.10396	0.5
71.10738	0.4
83.06026	0.9
85.02843	0.4
85.07566	0.4
93.03354	12.7
96.95882	0.4
96.99215	2.1
115.00288	6.5
117.03345	0.7
119.04941	29.8
120.05277	1.4
123.04402	1.0
130.04176	0.7
131.04967	2.6
132.05785	0.4
133.02866	1.7
133.06506	1.1
136.61559	0.4
137.02448	0.4
138.96567	0.3
139.70366	0.4
141.10226	0.9
143.04964	11.4
145.02864	1.6
145.06467	0.8
147.04437	1.1
159.04443	0.6
163.03937	10.3
171.04449	1.2
173.94728	0.4
185.09317	2.0
191.11830	0.5
210.06812	2.3
211.07628	39.5
212.07933	3.1
221.09702	0.5
223.07642	1.4
233.12961	12.1
234.13393	0.8
235.07664	2.1
237.09238	3.9
238.09451	0.4
239.10750	1.1
247.14569	3.3
250.06253	0.4
265.08746	10.6
266.09100	1.1
285.12488	0.8
291.08868	0.4
303.01068	0.4
309.07614	2.5
353.18701	2.5
379.16638	1.0
397.17755	100.0
398.18011	13.0
416.58493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50070	1.0
59.01260	5.4
61.98700	1.2
70.71975	3.7
71.01273	11.9
72.99200	1.2
73.08321	1.3
75.00726	1.2
79.04941	1.1
83.06021	2.2
89.02341	2.4
93.03349	8.2
101.90945	1.1
113.02401	1.3
115.00266	7.7
119.04944	51.4
120.05235	2.1
125.02360	1.8
127.01955	1.2
131.04926	1.6
133.01360	2.4
135.04388	1.4
141.10225	1.7
141.62724	1.2
143.04959	2.5
147.04491	2.2
155.26863	1.3
161.02475	1.9
163.03957	10.6
185.09340	2.4
191.11928	1.3
208.03041	1.2
208.23302	1.3
209.06107	1.8
210.06892	3.1
211.07637	34.0
212.08026	2.4
223.07820	1.3
229.19431	1.2
233.12947	20.6
237.09279	2.9
247.14473	7.2
261.96988	1.4
265.08752	12.1
274.12799	1.4
285.12341	5.6
379.16629	10.6
397.17758	100.0
398.18030	13.7
439.96603	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	513.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.4
57.47154	0.2
57.54720	0.2
59.01261	2.6
61.98712	0.9
65.00211	2.5
69.98014	0.5
69.98407	0.5
71.01274	0.8
72.99211	0.3
73.02835	0.4
79.05434	1.0
81.18682	0.2
83.01299	0.4
85.02846	0.6
87.00784	0.7
87.04418	0.3
89.02344	0.4
89.03872	0.3
93.03349	0.3
96.95913	0.5
98.20529	0.3
101.02357	0.5
103.05424	1.3
104.27090	0.2
105.07014	1.6
107.01311	0.3
107.04929	5.8
108.02090	1.0
108.05239	0.3
109.02876	1.0
111.08066	0.2
113.02359	0.6
119.04971	0.4
121.02885	0.6
121.06577	0.2
123.04460	0.6
125.02377	0.7
129.07031	1.2
130.04173	0.2
131.04953	6.8
132.02083	0.4
132.05289	0.3
133.02881	7.4
133.06500	0.3
134.03261	0.4
135.04460	0.4
135.08084	0.3
145.02890	0.4
145.06494	0.5
147.00818	0.3
147.04468	0.5
148.01630	0.7
149.02417	2.9
149.06021	6.4
150.06323	0.4
151.00287	0.5
151.03967	0.3
151.07576	0.2
152.01071	0.4
153.05460	0.3
155.04903	0.4
157.01750	0.2
157.02895	1.1
157.06519	0.6
158.03667	0.3
159.04417	0.8
161.02380	1.5
161.06033	0.7
163.07658	0.3
171.04506	0.6
172.05235	0.6
173.02386	0.5
173.06036	7.0
174.03175	0.5
174.06355	0.5
175.00320	0.4
175.03966	4.3
175.07616	0.5
176.01125	0.3
177.01904	0.7
183.04565	0.3
185.02551	0.3
185.06084	0.6
187.03934	0.3
188.04774	0.4
189.05524	1.8
189.99121	0.3
197.06026	0.7
198.03293	0.3
199.04001	2.5
199.07770	0.3
201.01909	9.7
201.05614	0.5
202.02304	0.5
202.06184	0.2
203.03505	0.5
203.90929	0.2
206.07510	0.2
213.05568	0.5
215.03465	0.5
216.04298	0.5
217.05054	16.5
218.05467	1.2
221.06142	0.3
221.09735	0.4
223.07727	0.3
227.03542	0.4
231.06554	0.5
235.07660	0.4
237.09192	0.5
239.10832	0.4
241.05083	2.0
241.08810	0.7
242.02322	0.2
243.02977	0.5
247.07687	1.0
249.05678	1.1
249.09418	0.3
250.06264	0.2
261.09149	0.4
261.75497	0.2
262.06293	0.3
262.09781	0.3
263.07098	1.9
263.10834	0.9
265.08728	2.6
266.09155	0.3
271.05963	0.2
271.76288	0.2
277.08755	0.6
279.10358	1.0
281.08420	0.3
283.09796	1.6
287.07187	0.4
289.08679	1.2
290.09045	0.3
291.06741	1.6
292.03922	0.2
292.07153	0.3
293.04758	1.0
297.04346	0.3
305.08170	1.1
306.08649	0.3
307.06412	0.5
307.09769	4.4
308.09976	0.4
309.04181	0.5
309.07684	0.4
321.04156	0.3
321.07715	0.6
322.08362	0.9
323.09280	1.5
332.06699	0.3
333.07724	1.2
335.05725	0.5
347.09323	1.0
349.07285	2.5
350.07935	2.6
351.08798	100.0
352.09131	10.8
363.08853	0.6
365.10306	1.0
373.10925	0.3
375.08850	5.7
376.09171	0.5
393.09857	9.8
394.10364	1.2
405.09946	0.3
423.10907	0.5
453.12354	0.4
469.31912	1.8
513.14075	34.2
513.34698	0.7
514.14496	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	513.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76672	0.1
53.93159	0.1
54.35619	0.1
57.03318	0.4
59.01266	3.0
60.99181	0.1
61.98712	0.7
65.00217	0.5
68.02412	0.6
69.83412	0.7
71.01273	1.2
71.04887	0.2
72.99187	0.4
73.02834	0.5
83.04917	0.3
83.10116	0.1
85.02836	0.5
87.00752	0.4
87.04414	0.2
88.98699	0.6
89.02364	0.3
93.03352	0.2
95.01260	0.2
95.04869	0.2
97.06481	0.2
98.19825	0.3
99.04368	0.3
101.02339	0.6
103.05406	0.2
105.03384	0.1
109.02863	0.3
111.04409	0.3
111.08002	0.1
113.02325	0.3
117.03331	0.7
119.04967	0.4
121.02882	0.2
123.04422	0.4
125.02364	0.5
126.99486	1.3
127.03925	0.2
127.05468	0.3
132.02095	5.4
133.02869	0.4
135.04453	0.3
136.05209	0.2
137.02310	0.3
139.07570	0.2
141.01862	0.4
141.09106	0.3
141.68144	0.1
143.04942	0.4
145.02898	0.2
147.04408	0.2
151.07619	1.1
154.04269	0.2
155.05013	0.2
157.02895	0.2
158.03700	0.2
159.04427	0.5
160.01567	0.2
161.02383	0.3
161.05989	0.2
163.03923	0.2
165.05518	0.2
167.04916	0.3
170.03662	0.3
171.04483	1.3
173.02426	0.2
173.06056	0.2
174.03105	0.2
175.00302	0.3
179.03471	0.2
182.03685	0.3
183.04456	0.7
185.02361	0.4
186.03236	0.2
187.03952	0.6
188.01093	0.4
189.05527	0.2
193.01382	0.2
195.04480	0.6
196.05359	0.2
197.02409	0.3
198.03175	0.7
199.04034	0.7
200.01131	1.6
201.01945	0.9
211.03987	1.7
212.04637	0.5
214.02707	0.3
215.03516	4.0
216.03947	0.3
217.06648	0.2
219.08102	0.3
221.06131	0.5
225.01999	0.3
226.02763	1.2
227.03481	1.5
230.07393	0.3
231.08153	0.6
232.09036	0.2
233.04547	2.6
233.09741	0.4
235.07793	0.2
236.04790	0.2
237.05521	0.7
238.06409	0.2
239.03519	3.2
240.04260	1.9
241.04939	0.7
243.02968	0.2
243.08104	1.0
244.08800	0.9
245.06195	1.0
245.09731	0.7
246.06738	0.4
247.07596	0.4
248.04988	0.2
249.05580	1.0
250.06264	0.3
251.07182	0.2
252.04199	0.3
253.01598	0.2
253.05238	0.3
254.02205	0.3
258.05252	2.2
259.07730	2.6
260.08383	1.3
261.05673	0.8
261.09177	0.8
262.06073	0.3
263.07086	0.6
264.04160	0.4
264.07773	0.2
265.05081	1.3
266.05707	0.2
267.02972	0.3
268.03842	0.4
269.04346	0.2
273.05673	3.3
274.06351	1.1
275.07175	1.4
276.07776	0.5
277.05243	0.2
277.08694	0.4
279.03290	0.2
279.06754	0.3
281.04590	0.5
282.05402	0.6
286.06369	0.5
287.07217	3.8
288.07953	3.5
289.05142	1.3
289.08701	1.5
290.05820	0.3
291.03101	0.2
291.06616	0.6
292.03845	1.0
292.06979	0.3
293.04630	8.1
294.05197	1.9
294.44824	0.2
298.04691	0.2
303.06653	2.4
304.07312	1.2
305.04623	2.6
305.08167	0.5
306.05255	0.8
306.08746	0.3
307.06229	1.1
307.09570	0.3
308.06866	0.7
309.07745	0.4
315.06738	0.4
316.03806	0.3
317.04608	5.2
318.05365	2.0
319.05939	0.3
320.06952	0.4
321.07681	1.2
322.08490	1.1
323.09265	0.7
331.06192	2.6
332.06964	15.1
333.07712	17.3
334.08179	1.8
335.05707	0.2
337.20197	0.4
349.07245	1.0
350.08023	24.6
351.08792	100.0
352.09149	10.9
365.10242	0.9
375.08600	0.3
393.09888	0.4
419.71616	0.2
439.27002	0.2
451.30829	0.6
455.09967	0.2
458.99658	0.2
468.10583	0.4
469.31851	1.9
480.10754	1.9
481.11069	0.4
481.17282	0.3
495.12964	2.1
495.29645	0.2
496.13431	0.2
513.14117	78.3
514.14417	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	513.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09015	0.1
57.03320	0.2
59.01265	1.7
68.99694	0.3
69.03333	0.2
69.65701	0.8
71.01274	2.0
73.02837	0.7
75.00768	1.0
79.05410	0.3
83.01277	0.3
85.02840	1.5
87.00762	0.3
87.04414	0.1
89.02316	0.3
93.03356	0.4
95.01287	0.2
96.99222	3.1
97.99548	0.2
98.20582	0.1
99.00781	0.7
100.31599	0.1
101.02343	0.4
107.04941	0.5
108.02103	0.3
109.02871	0.3
109.23182	0.1
113.02380	0.7
115.00289	0.2
115.03908	0.2
121.02861	0.8
129.01865	4.8
129.07021	0.3
130.02216	0.5
131.03419	0.4
131.04938	0.2
133.02861	0.7
135.00830	0.9
135.04472	0.2
139.03909	0.3
143.03445	0.2
143.04910	0.1
145.02921	0.2
148.01593	0.3
149.02376	1.0
149.06029	0.2
159.04483	0.2
161.02385	0.1
161.99498	0.1
163.00317	0.4
172.05217	0.1
173.02336	0.1
173.06012	0.5
174.03143	0.2
175.03954	0.4
183.04501	0.2
187.03902	0.2
189.05450	0.1
197.06094	0.2
198.03134	0.2
199.04001	0.6
201.01904	0.6
205.07213	0.2
209.11797	0.1
213.02000	0.1
213.05554	0.6
214.02791	0.2
214.06253	0.4
215.03482	0.4
217.05019	0.4
224.04761	0.2
225.05510	0.6
227.03554	1.9
233.09752	0.1
235.07675	0.2
240.04205	0.2
241.05057	1.8
242.05841	1.4
243.02989	0.3
243.06636	1.3
249.05809	0.2
249.09189	0.2
251.03568	0.1
251.10812	0.2
252.04314	0.2
261.09177	0.2
262.06232	0.2
263.07062	0.3
265.05026	0.1
267.03116	0.2
268.17712	0.1
275.07172	0.2
277.05359	0.2
277.08743	0.7
278.08902	0.2
279.06790	0.2
279.10266	0.2
289.08786	0.3
290.06073	0.2
291.06659	0.3
291.19702	0.7
293.04666	0.5
293.07959	0.3
295.06949	0.1
295.09799	0.8
296.03162	0.4
305.08240	0.8
306.08850	0.2
307.06204	0.6
307.09802	0.6
308.03436	0.2
308.06976	0.4
308.10046	0.2
309.07767	0.2
321.04068	0.6
321.07587	0.2
323.05750	0.2
323.09326	2.3
333.07739	2.3
334.08337	0.4
335.05847	0.7
336.06418	0.5
349.07193	0.4
350.08047	0.3
351.08801	100.0
352.09131	11.4
409.34039	0.1
447.75235	0.2
462.25571	0.1
462.75787	0.2
463.25830	0.2
487.74918	0.3
496.25031	1.3
496.75192	2.9
497.25360	1.1
497.75476	0.3
503.75787	0.3
512.26257	1.5
512.32977	0.2
512.76471	3.8
513.14050	1.9
513.26581	1.3
513.33759	0.2
513.76740	0.3
514.14520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01605	0.9
61.98716	2.1
65.21675	0.2
69.34519	2.0
71.01276	0.9
72.99191	0.3
83.01271	0.3
85.02845	0.3
87.00783	0.4
89.02348	0.7
93.03376	0.3
95.01255	0.3
98.20558	0.6
98.61864	0.2
99.00803	0.5
101.02342	0.8
109.02901	0.3
111.00813	0.2
111.89424	0.3
113.02338	0.4
121.02919	0.5
123.04466	0.3
125.02378	0.3
129.33058	0.2
135.04448	0.3
139.95323	0.2
149.02385	0.2
151.00333	0.3
156.00591	0.3
161.04506	0.6
171.79225	0.2
178.05110	0.6
190.08945	0.2
204.06728	0.3
210.30211	0.2
221.06738	0.4
230.00113	0.3
232.09882	2.1
253.06453	0.3
260.09335	10.6
261.09723	0.7
267.07816	0.5
275.11682	9.7
276.12173	0.7
281.09515	0.4
290.14047	23.6
291.14426	2.1
295.10889	0.3
296.11917	0.7
300.02814	0.4
327.13824	0.3
328.10904	0.3
418.17841	0.5
453.21594	0.3
478.11639	0.3
480.17938	0.5
512.20605	3.0
513.22876	1.0
513.30811	0.5
539.45685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2925
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
50.36859	0.8
57.03334	0.8
59.01255	4.1
61.98703	3.1
71.19132	1.5
85.02833	1.0
96.99217	2.0
97.06455	1.0
111.08060	1.5
114.74113	1.1
126.18073	0.9
129.70361	0.9
160.84142	2.1
165.12788	18.3
183.13872	100.0
184.14197	4.4
188.33192	1.0
194.05428	0.8
209.11813	5.3
211.13335	1.5
227.12881	15.3
228.13277	0.9
263.10660	0.9
283.15601	1.3
301.16653	9.2
467.29666	1.1
475.95502	1.1
488.69513	1.1
493.28339	2.0
511.29263	39.4
511.75995	2.1
512.29639	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07047	0.7
57.02733	0.9
57.03337	13.3
59.01265	15.1
61.98718	45.9
65.00195	1.2
71.01268	5.0
72.71522	0.6
72.99177	1.1
73.02831	1.4
75.00757	1.0
77.46355	0.7
81.03343	2.0
83.01285	7.7
85.02828	1.7
86.11945	0.8
87.00778	1.4
89.02320	4.0
93.03357	0.9
95.01315	0.8
96.95922	0.7
97.02848	1.1
98.91881	0.8
99.00778	3.1
101.02365	2.8
107.04950	1.4
109.02830	1.4
111.00819	0.9
113.02367	2.4
119.04948	2.5
121.02823	1.2
125.02367	100.0
126.02741	3.4
130.54906	0.7
131.04942	1.6
133.02869	2.0
135.04416	0.8
137.02405	1.3
139.00339	0.7
147.04376	0.9
149.02338	1.6
149.06030	1.9
153.01772	1.0
153.71994	0.7
154.08646	0.7
161.02394	8.0
162.03093	0.8
173.06071	0.9
175.03917	1.4
177.01831	0.7
179.05629	0.7
189.05420	0.9
191.03555	0.9
192.02982	0.7
201.01962	2.1
203.03447	0.7
217.05058	4.5
287.05322	0.8
321.07675	1.7
351.08786	22.9
393.09991	2.5
431.09937	1.1
449.10992	67.4
450.11243	9.7
453.21478	2.6
513.13751	0.8
513.24133	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	512.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	0.9
61.98717	0.5
69.31375	1.1
69.31810	1.2
70.74738	0.2
71.01275	1.0
72.99241	0.2
73.02837	0.3
75.00764	0.3
85.02889	0.3
87.00791	0.3
89.02319	0.3
93.03355	0.6
99.04411	0.4
101.02374	0.8
110.93050	0.2
113.02347	0.5
121.02905	0.4
149.02344	0.5
150.05534	0.3
151.07742	0.2
161.04504	0.7
164.04755	0.4
178.05054	0.9
204.10266	0.3
207.75964	0.2
209.11703	0.3
221.06720	0.5
232.09798	4.1
233.10123	0.4
260.09338	18.7
261.09793	1.1
275.11694	15.2
275.96930	0.3
276.12057	0.9
290.14047	39.6
291.14377	3.4
393.50623	0.3
512.20789	1.2
513.27734	0.3
523.49036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10163	0.2
57.03329	0.5
59.01262	4.8
61.98716	100.0
62.98401	0.3
62.99168	0.2
65.92872	0.2
69.03345	0.3
71.01263	1.8
72.99180	0.7
73.02840	0.7
77.20495	0.2
83.01302	0.6
85.02860	0.9
87.00772	0.4
89.02354	0.8
89.68236	0.2
97.90470	0.2
99.04466	0.2
101.02348	1.3
101.60178	0.2
109.02880	0.2
113.02371	0.8
119.04916	0.6
120.83266	0.3
123.04451	0.3
125.02354	1.4
131.03339	0.3
135.04456	0.3
137.02426	0.4
137.06026	0.4
139.00298	0.3
145.02875	0.3
149.02379	0.5
151.00293	0.3
151.07639	0.4
161.02429	0.3
161.04518	0.5
162.32771	0.3
163.03967	0.3
165.02007	0.3
169.01408	0.2
177.01932	0.3
179.07237	0.3
190.02669	0.4
205.05098	0.5
215.99527	0.3
273.22662	0.3
327.08026	0.3
419.07013	0.2
450.23267	1.6
451.13983	0.4
510.34528	0.4
511.17020	0.6
511.32571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87957	0.5
58.19477	0.5
59.01262	3.2
59.57609	0.7
61.98720	6.9
70.87575	0.5
71.01269	1.7
71.49526	0.7
75.00770	1.5
83.01276	0.6
87.00784	0.7
89.02344	1.8
101.02356	1.6
107.01252	0.6
109.02855	1.6
113.02390	0.8
119.04921	0.6
121.02855	1.1
125.02361	0.7
133.02876	8.1
135.02882	0.6
135.04442	1.2
147.04483	1.1
148.05043	0.5
149.02376	1.2
151.00354	0.8
160.04156	0.5
161.02419	0.7
161.04488	0.6
163.00314	1.1
163.03967	2.8
164.01250	0.6
164.41541	0.5
165.01852	1.7
167.03401	0.6
173.05998	0.6
175.04025	2.8
177.01900	0.9
190.02715	0.5
191.03456	2.7
193.01384	1.3
199.04012	1.1
201.01897	1.6
213.05554	1.3
225.05344	0.6
227.03445	0.7
227.07047	0.9
239.03491	0.7
241.05054	1.2
253.05080	1.5
255.03067	1.0
255.06653	0.8
257.04361	0.7
269.04697	0.7
281.04675	0.7
284.03281	7.2
285.04041	6.9
286.04370	0.7
297.00693	0.9
297.04089	15.2
298.04810	8.1
299.05640	17.1
300.05930	1.3
309.04321	0.7
311.05670	3.1
325.03540	0.7
327.05167	100.0
328.05518	8.3
339.05096	3.5
357.06256	26.6
358.06622	2.5
366.61411	0.6
369.06177	2.2
393.06174	1.4
432.67703	0.5
439.87662	0.6
447.09412	99.8
448.09711	11.1
449.23981	0.8
453.63721	0.6
494.37122	0.7
509.29910	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	510.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33133	0.3
54.77396	0.3
57.03344	0.5
58.66105	0.3
59.01263	5.3
59.91775	0.3
61.98715	100.0
67.78735	0.3
71.01279	1.6
71.60201	0.5
72.99216	0.9
73.02846	0.8
83.01291	0.7
83.04939	0.4
85.02852	2.3
87.00784	0.5
88.98701	0.4
89.02341	0.8
93.03406	0.4
99.00780	0.6
101.02348	1.1
108.02091	0.7
109.02899	0.4
113.02364	0.8
115.09278	0.3
119.04922	0.4
121.02856	0.4
125.02398	1.1
135.04424	0.4
137.06064	0.3
149.02438	0.3
151.00293	0.8
151.07607	1.1
159.03189	0.4
161.02390	0.4
161.04486	0.4
165.05559	0.5
174.97218	0.9
175.02448	0.4
179.07112	0.8
209.11890	0.6
269.04712	1.1
271.06000	0.5
311.40939	0.3
377.40747	0.4
450.24637	0.4
467.29965	0.5
510.32166	1.0
511.32571	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	509.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	39.2
59.01262	24.0
61.98714	1.2
63.31876	0.4
67.74036	0.4
68.06664	0.4
69.03326	0.5
70.08031	1.3
70.08450	1.2
70.15697	0.5
71.01278	5.0
73.02827	0.8
76.09018	0.5
76.28985	0.5
81.03327	0.6
82.02891	2.6
83.01272	0.8
85.02836	1.3
86.48505	0.7
87.00814	0.6
89.02330	2.5
98.02359	0.6
99.04422	23.0
101.02345	10.6
108.29389	0.7
113.02340	1.0
119.04939	0.8
125.02362	5.0
137.02312	0.5
139.05153	0.5
143.03445	0.6
145.07651	64.2
146.08044	2.5
161.04501	13.3
166.09920	0.6
170.07297	2.6
185.10898	0.5
187.08723	0.9
188.08264	43.5
189.08580	2.9
210.10387	1.4
214.09853	34.7
215.10197	2.7
226.09926	1.7
228.11469	2.5
238.09816	1.2
244.10925	3.1
256.08289	1.0
256.10974	18.6
257.11157	1.3
257.42416	0.5
261.12558	1.0
268.10941	2.5
279.13589	0.6
286.11993	1.5
304.13098	30.4
305.13422	2.0
322.14145	100.0
323.14514	9.3
364.15189	2.6
365.14731	5.8
376.87292	0.6
425.08545	0.6
449.15771	1.5
466.18497	4.9
467.18475	0.8
509.30042	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	509.2893
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
54.00766	0.6
58.32409	0.7
59.01272	1.0
62.12090	0.6
70.67937	1.6
78.95787	20.1
96.96870	1.6
98.20599	0.8
138.05544	0.8
152.99522	29.8
171.00549	1.4
180.73697	0.7
227.03247	5.3
245.04359	1.1
281.24908	100.0
282.25311	8.4
509.28879	65.2
510.29321	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	509.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08478	0.4
59.01268	5.9
67.01775	0.4
71.01264	2.1
75.00772	0.5
76.69678	0.4
83.01286	1.9
83.04917	0.5
83.59473	0.4
85.02831	0.9
87.00775	0.6
89.02336	0.6
91.05434	0.7
95.01248	0.6
98.86886	0.4
101.02348	0.7
101.05981	2.4
105.02408	0.5
107.04942	0.8
108.02101	0.9
109.02867	5.7
113.02398	0.4
115.00252	0.6
121.02866	7.6
123.00784	1.2
124.01560	2.0
125.02368	1.0
133.02914	0.5
135.04446	21.1
136.01601	9.6
136.04784	1.0
137.02409	4.4
138.03162	16.0
139.00348	0.9
139.03841	0.5
140.01051	0.6
147.04466	1.7
149.02359	1.3
150.03162	9.3
151.00296	0.8
151.03955	5.7
152.01102	3.8
153.01855	2.0
162.03168	1.1
163.03958	5.2
165.05515	6.2
169.05016	8.7
175.02444	1.3
177.01901	9.7
177.05513	1.3
178.02344	0.8
254.05830	1.1
255.06633	1.0
257.04620	1.9
271.06165	2.1
272.06949	33.7
273.07202	2.6
287.09314	100.0
288.09656	9.8
333.10904	1.2
339.07376	3.9
340.07700	0.7
391.27707	0.6
509.12949	3.1
509.30347	0.6
510.13464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	10.8
69.03323	0.2
70.43511	0.8
71.01266	2.8
73.02833	1.2
83.01249	0.3
85.02850	0.8
87.00778	0.3
89.02346	2.4
97.02847	0.4
101.02332	3.0
103.03915	2.6
115.03913	0.2
119.03426	1.6
125.02360	3.3
127.03921	0.3
140.07106	100.0
141.07468	3.6
143.03418	0.3
145.04990	1.0
149.04491	0.2
163.06078	5.4
163.07379	0.4
165.20410	0.2
176.93332	0.2
205.07204	0.4
247.08148	0.9
252.98264	0.2
269.04672	0.2
289.09448	0.2
302.12497	0.2
307.10406	9.3
308.10709	0.8
380.24228	0.2
448.18329	5.7
449.18726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.7
65.33951	0.2
69.83295	1.5
78.95792	7.7
89.27905	0.3
96.96850	0.8
98.20464	0.4
152.99527	14.0
155.23846	0.3
155.97060	0.3
171.00575	1.2
178.49872	0.3
221.11336	0.3
227.03249	2.6
228.85626	0.3
240.59010	0.3
245.04390	1.3
261.22260	0.5
279.23346	100.0
280.23685	9.9
281.24860	1.5
507.27396	31.7
508.27609	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	508.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00772	0.4
59.01264	10.2
60.45748	0.5
61.21718	0.6
61.98717	100.0
70.88885	1.1
71.01266	3.9
72.99198	0.6
73.02852	2.0
75.00768	1.3
83.22472	0.6
85.02859	1.0
87.00781	0.9
89.02330	2.5
101.02337	3.2
103.03947	0.7
104.34138	0.5
113.02354	1.4
119.03416	1.3
120.00405	0.5
120.01130	2.5
124.07600	0.5
125.02323	0.6
131.03476	0.5
132.04553	0.6
149.02376	0.6
154.08714	0.7
160.04031	1.3
161.04413	0.7
162.12625	0.5
163.06081	3.1
165.04305	0.8
167.10699	0.8
172.86658	0.5
175.02478	0.7
181.04948	0.6
188.57515	0.5
240.04094	0.7
241.04538	0.8
257.13031	0.9
258.13300	0.9
269.04291	0.8
283.06210	2.2
284.06403	3.6
285.06689	3.5
286.07141	2.7
301.12000	0.6
302.12561	0.7
304.05515	0.8
345.11096	2.3
346.11292	4.5
447.22583	0.6
448.13043	1.0
507.28305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28346	0.5
54.70251	0.5
54.90917	0.5
59.01266	100.0
60.01618	0.9
61.98717	0.6
69.23835	0.7
69.24226	4.6
71.01273	2.6
73.02840	2.3
75.00789	0.8
83.01285	1.1
85.02857	0.6
87.00787	0.7
89.02353	1.6
96.95905	1.0
98.43682	0.4
101.02341	3.3
102.01865	0.8
113.02381	1.8
118.45718	0.5
119.03449	0.6
120.01170	0.5
122.02393	0.6
125.02433	0.5
140.07141	1.7
143.03516	0.6
161.04527	1.2
168.17467	0.5
169.46141	0.4
376.50922	0.5
387.20306	0.7
436.19717	0.5
447.22433	2.4
448.23193	0.8
507.24762	0.6
533.48248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.8
57.03336	10.1
58.00483	1.2
59.01266	100.0
60.01606	1.8
61.98722	4.3
69.03348	1.3
71.01270	34.2
72.99194	1.7
73.02839	38.3
74.22299	0.7
75.00758	2.0
81.03355	1.0
83.01283	13.0
83.04935	1.0
83.20049	0.7
85.02842	4.2
87.00785	2.2
88.98690	0.7
89.02329	8.1
93.03395	0.9
94.90991	0.7
95.01283	1.8
95.04929	1.1
97.02859	1.2
97.86543	0.7
99.00778	1.8
101.02351	39.6
102.02704	1.1
102.35780	0.7
107.01324	0.8
112.05225	2.5
113.02363	14.2
119.03400	4.7
120.01201	1.6
123.04447	0.8
125.02342	4.6
125.06040	0.8
127.04090	0.7
129.76476	0.7
131.03439	3.2
134.07295	4.0
137.02431	1.1
137.09669	2.1
139.11189	0.8
143.03448	4.0
149.04486	7.9
149.09659	38.9
150.09996	1.6
151.00327	2.3
151.03964	1.2
152.08246	0.7
155.03419	0.8
160.03969	1.0
161.04506	13.9
167.10735	70.9
168.11079	3.5
172.25002	0.7
179.05588	0.8
203.05614	1.7
207.14000	1.7
221.06670	3.8
225.14977	14.3
229.09903	0.9
243.16013	1.6
340.55359	0.7
345.10983	1.3
387.20300	7.1
405.21365	3.0
447.14127	1.6
447.22433	26.1
448.22955	2.7
507.10910	1.0
507.21991	1.0
507.28552	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03327	2.4
58.00470	1.5
59.01265	58.7
61.98712	1.0
69.03348	1.5
71.01268	50.4
72.99179	3.0
73.01086	0.6
73.02831	10.9
75.00774	1.1
83.01272	6.1
85.02348	1.1
85.02842	15.6
87.00768	3.4
89.02336	27.5
90.02707	0.6
95.01284	2.2
97.02845	2.8
99.00775	6.8
101.02349	28.8
105.21081	0.6
105.87489	0.6
111.00771	2.4
113.02351	14.7
115.03926	0.7
119.03416	1.9
125.02367	5.1
131.03424	11.9
137.02333	1.0
143.03401	2.3
149.04497	6.5
159.02898	1.8
161.04485	11.9
191.05602	1.7
233.06697	1.9
293.08896	2.1
315.18179	11.5
316.18362	1.5
447.22427	100.0
448.22806	12.7
507.29263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03321	0.2
58.00464	0.2
59.01263	14.7
60.01612	0.2
61.98705	0.5
65.00232	0.1
69.03333	0.3
70.61908	0.2
70.62243	0.3
71.01267	5.3
72.99187	0.5
73.02825	0.9
73.46134	0.1
75.00774	0.3
81.03343	0.2
83.01275	0.8
83.04970	0.2
85.02847	1.4
87.00762	0.6
89.02335	4.0
91.03922	0.1
93.03384	0.3
95.01263	0.4
96.95902	0.4
97.02842	0.3
99.00775	0.7
101.02339	4.4
108.02121	0.8
109.02855	0.6
111.00723	0.2
113.02336	1.9
119.03400	1.0
119.04937	0.3
121.02847	0.2
125.02318	0.7
131.03421	0.8
134.05986	0.2
135.04434	0.3
143.03407	0.4
149.04485	1.2
152.01100	0.7
153.01877	0.4
159.02426	0.2
161.02388	0.2
161.04497	1.7
162.04869	0.2
165.12770	0.2
167.10724	0.3
167.14346	0.5
177.01880	0.4
179.03453	0.2
179.05501	0.6
179.07042	0.2
183.13866	5.6
184.14203	0.3
191.05643	0.3
193.12315	1.2
194.12608	0.1
211.13382	100.0
212.13718	6.3
235.08276	0.6
253.09325	13.5
254.09625	0.7
282.69202	0.2
285.03909	0.2
315.18231	1.1
447.22461	8.0
448.22839	1.1
461.24075	0.2
487.05334	0.2
507.12210	0.2
507.18799	0.4
507.29446	0.6
508.19525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15445	0.5
59.01258	2.3
61.44924	0.6
66.49775	0.4
70.89176	0.5
70.89500	0.8
71.01273	1.5
73.02872	0.8
74.56693	0.6
75.00764	8.4
76.92387	0.5
84.80053	0.5
87.00232	1.1
87.00768	19.9
88.01102	0.6
89.02339	0.9
99.00783	3.9
101.02328	1.4
102.34779	0.5
105.01843	23.3
117.01856	1.0
129.01852	1.2
135.02925	1.1
147.02898	5.1
165.03996	100.0
166.04259	3.7
250.10779	0.6
263.48148	0.7
366.42346	0.5
415.40219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	15.3
60.65105	0.3
61.98716	0.4
68.01277	0.4
71.01266	2.9
71.56259	0.5
72.99195	0.7
73.02843	0.9
75.00761	0.8
81.65145	0.3
83.01302	0.5
85.02842	0.7
87.00791	0.7
89.02355	2.4
89.37218	0.3
101.02345	2.8
103.03906	1.5
113.02316	0.7
119.03412	1.1
121.02925	0.3
123.03185	7.8
124.03491	0.4
125.02370	1.5
131.03461	0.4
135.04335	0.3
136.55975	0.3
137.04758	0.3
138.05540	100.0
139.05881	3.8
143.03377	0.5
145.05003	0.4
152.07025	0.4
154.78288	0.3
161.04482	0.4
163.06067	2.1
165.12708	0.3
177.01849	0.4
180.06691	0.7
193.11223	0.3
237.90277	0.3
247.08345	0.4
288.02301	0.4
299.05627	1.2
307.10391	1.8
340.01807	0.3
382.00964	0.4
446.16763	31.4
447.17084	3.6
447.22659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	16.6
58.03688	0.3
59.01266	5.9
61.98718	0.5
66.23635	0.2
69.54531	1.3
71.01277	1.6
72.99165	0.2
73.02828	0.4
75.00774	0.6
79.66845	0.2
81.03351	0.8
83.01286	2.7
83.39883	0.2
85.02854	0.9
87.00774	0.6
88.98702	0.2
89.02344	0.7
93.03371	0.5
95.01289	0.4
99.00793	0.4
101.02364	0.8
107.01284	0.3
108.02054	0.3
109.02869	0.5
113.02357	0.9
119.05022	0.2
121.02880	4.9
122.03679	0.3
123.00792	0.5
123.04427	0.3
124.01613	1.8
125.02376	100.0
126.02715	2.8
130.99846	0.2
133.02907	0.8
134.03662	0.2
135.04488	0.5
136.01561	0.3
137.02379	4.2
138.05528	0.2
139.03935	0.8
145.02953	0.2
147.04463	0.6
148.01578	1.4
148.05229	0.5
149.02388	9.6
150.03195	5.9
151.00330	0.2
151.03972	1.5
152.01060	0.2
153.01932	0.2
159.04454	0.2
161.02390	0.2
162.03217	0.2
163.03979	0.6
165.01878	1.6
165.05544	5.0
175.02507	0.2
175.03979	0.3
176.01109	3.1
177.01898	99.2
178.02269	4.7
179.03372	0.2
193.05074	0.3
193.08667	0.7
206.05443	0.2
213.05519	0.5
241.05023	0.4
271.09946	0.2
284.07022	0.5
296.06946	0.3
297.07544	0.3
299.05472	0.2
303.05222	1.4
314.08038	0.9
315.08643	0.6
329.10333	0.9
330.11163	7.7
331.11493	0.6
339.07349	0.2
345.13495	16.0
346.13840	1.1
381.08353	49.1
382.08670	4.7
387.24405	0.2
427.30948	0.2
447.26675	0.4
492.16803	0.3
507.11505	11.0
507.27930	1.2
508.04865	0.2
508.11557	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	505.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	9.9
59.74085	0.9
61.98728	1.0
66.80422	0.9
71.52783	1.7
78.95792	24.9
91.64668	1.0
96.96883	2.5
106.87029	1.1
119.05905	1.1
152.99527	47.4
156.00589	1.1
156.20746	0.9
171.00568	2.3
181.45847	1.2
197.51161	0.9
197.53764	1.1
227.03267	6.3
245.04326	1.9
275.20236	1.7
277.21774	100.0
278.22098	11.5
279.23639	1.1
280.23596	1.3
413.21515	1.5
505.25943	83.7
505.33606	6.1
506.26193	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	505.3031
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
54.42365	0.4
57.03337	2.2
59.01265	10.5
62.87630	0.4
67.01774	0.5
68.99718	0.9
69.03351	0.5
69.58720	2.8
71.01269	11.6
72.01579	0.3
72.99199	3.7
73.02827	1.3
75.00767	12.6
83.01263	0.8
85.02843	15.0
86.03198	0.5
87.00777	4.8
89.02347	2.3
93.03355	0.8
95.01286	3.8
98.03635	0.4
98.19794	0.4
99.00175	0.5
99.00787	7.9
101.02341	0.4
103.00266	1.5
111.00748	0.6
113.02359	17.4
114.02724	0.6
115.00262	1.1
115.97344	0.4
116.28247	0.4
117.01884	1.7
129.01854	1.7
130.67659	0.3
131.03413	0.4
175.02451	2.4
177.66258	0.4
205.07077	0.8
208.23813	0.4
223.08163	0.4
231.05090	1.8
249.06189	13.7
255.23325	77.1
256.23666	7.5
267.07330	2.4
269.48517	0.4
361.31317	0.5
379.32254	1.1
423.31171	4.3
424.31723	0.6
487.29086	2.7
505.30289	100.0
506.30557	14.3
506.38071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3031
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01770	1.1
55.91167	0.3
57.03335	2.5
59.01263	14.0
59.75801	0.3
67.01757	0.6
68.51070	0.4
68.99696	0.7
69.03340	0.5
71.01270	17.1
71.02416	0.4
71.02746	0.7
72.99200	4.6
73.02821	1.4
74.24623	0.4
75.00766	16.2
80.04676	0.3
83.01277	0.8
85.02843	20.7
87.00774	7.0
87.21419	0.4
89.02339	5.3
95.01289	5.5
99.00781	8.6
101.02345	0.9
103.00294	2.1
111.00776	0.7
113.02360	27.0
113.14224	0.4
114.02662	0.5
115.00289	1.9
117.01843	3.0
129.01855	1.3
131.03442	0.6
139.00250	0.5
144.26733	0.3
149.04457	0.4
157.01405	0.6
159.88087	0.4
175.02437	2.9
193.03572	0.7
205.07123	1.6
223.08223	1.0
231.05138	0.5
249.06203	5.4
255.23332	72.0
256.23685	6.6
267.07224	4.9
487.29156	2.3
505.30298	100.0
506.30630	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	505.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	2.6
59.58503	0.4
69.52587	1.7
69.53017	1.5
71.01364	0.9
71.62981	0.4
75.84088	0.4
78.95412	0.7
78.95915	6.1
96.96957	0.8
106.68290	0.4
121.02972	0.6
121.33434	0.4
133.02962	0.7
148.01660	0.6
149.02498	1.5
150.03275	0.9
152.99510	12.6
155.39436	0.4
161.02440	0.8
171.00703	1.3
173.06123	0.5
177.02017	0.6
185.06068	0.5
189.01945	0.5
203.03435	0.4
213.05527	0.7
214.02814	0.8
217.92256	0.4
227.03275	2.9
229.05093	0.7
233.22870	0.4
240.15100	0.4
245.04318	2.3
253.05139	0.5
259.83163	0.5
269.04614	0.8
275.20160	0.7
277.21777	78.5
278.22119	6.9
279.06656	0.5
295.06085	0.5
311.05774	1.9
323.01984	0.8
323.05664	14.2
323.09402	0.9
324.05884	1.2
335.09308	0.8
337.07175	0.6
349.10696	0.7
351.08688	1.5
363.08698	5.2
364.09091	0.7
365.10336	2.1
366.11304	2.4
370.10236	0.4
377.10089	1.3
398.05563	0.6
398.10165	9.8
399.10339	0.9
405.13370	2.0
406.14328	2.8
447.18100	0.6
505.21991	100.0
506.22446	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	505.2585
Annotation	Amoritin
Peak:m/z	Relative Intensity
54.00731	0.3
54.75244	0.3
59.01276	1.5
69.33794	2.9
71.01239	0.3
78.95795	9.8
83.04895	0.4
83.23588	0.3
96.96822	0.7
99.93092	0.3
152.99522	16.6
171.00557	1.2
199.42065	0.3
227.03279	3.5
245.04312	2.2
259.20685	0.8
261.16562	0.3
275.20270	0.5
277.21774	100.0
278.22122	9.8
279.23343	2.5
280.23663	4.4
295.06317	0.4
308.06754	0.3
332.07394	0.3
381.56271	0.4
454.46585	0.3
466.25723	0.3
505.25912	34.6
506.26181	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	505.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.4
59.01263	5.7
61.66791	0.2
61.98733	0.4
65.03859	1.4
67.01777	0.5
69.03351	0.3
71.01270	4.6
72.99192	0.5
73.02830	1.3
80.30279	0.2
81.03361	0.3
83.01287	0.3
85.02849	1.4
87.00755	0.4
88.03956	0.2
89.02332	4.1
89.02841	0.4
90.02713	0.2
91.02785	0.2
91.05431	5.4
93.03374	1.7
95.01271	0.3
97.02873	0.5
99.00786	1.0
101.02345	3.5
108.02077	1.6
109.02859	23.5
110.03171	0.7
113.02358	1.4
119.03445	0.3
119.04932	0.4
119.97335	0.2
121.02866	10.0
123.04451	0.6
125.02370	2.8
131.03409	0.4
132.02928	0.5
133.02888	0.6
135.04443	60.0
136.04771	2.5
137.02403	0.4
145.02843	0.3
147.04448	6.2
148.05159	0.8
149.04498	1.3
149.05989	0.3
152.01180	0.3
152.35359	0.2
159.04369	0.2
160.05261	0.3
161.04645	0.3
161.06027	1.3
162.06787	0.3
167.06967	0.3
177.01816	0.2
180.07866	0.6
181.08675	0.3
191.05586	0.5
193.04974	0.2
193.08672	1.2
195.02950	0.2
195.10248	3.2
196.10550	0.3
201.09319	0.2
205.08647	0.5
206.09460	2.7
208.99565	0.5
209.99876	0.2
210.99210	4.0
213.09117	0.3
217.08733	0.3
218.09325	0.2
219.10287	0.7
221.11835	9.6
222.12201	0.9
225.09222	0.8
226.09688	0.2
227.07202	0.5
231.05179	0.2
233.06647	0.5
239.10664	0.3
240.11630	0.3
241.08723	0.6
251.07127	0.5
253.00322	0.6
255.06612	0.3
258.12784	0.3
265.08716	0.4
269.08185	1.2
269.11905	0.4
270.09247	0.3
283.09796	1.3
284.14359	0.5
286.12186	0.7
293.08813	1.1
293.11780	0.4
301.14481	0.5
310.12262	1.2
311.12839	0.3
313.10840	1.7
325.14474	1.6
327.12482	0.3
327.21890	0.3
328.13284	1.6
331.25653	0.2
343.15558	100.0
344.15924	10.5
484.42584	0.2
505.14124	0.4
505.20599	1.0
505.27332	0.4
505.33527	1.1
506.20685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21588	0.1
55.01774	0.2
57.03332	0.2
58.98359	0.1
59.01262	2.6
61.98708	0.2
63.25051	0.1
71.01267	1.6
72.77235	0.1
72.99197	0.3
73.02835	0.5
75.00750	0.2
77.03843	0.2
78.95803	0.3
83.01283	0.3
85.02850	0.7
87.00774	0.4
89.02343	0.6
93.03350	0.4
95.01277	0.2
96.95884	0.2
97.02844	0.1
98.19767	0.3
99.00758	0.3
101.02365	0.9
109.02842	0.2
113.02360	1.1
121.02869	100.0
122.03198	3.4
124.01571	0.2
125.02353	0.5
135.04416	0.2
137.02399	0.2
139.03914	0.2
161.04465	0.4
165.01869	0.1
209.11903	0.2
229.60634	0.2
241.18153	0.4
301.10867	0.3
383.13556	0.9
484.23587	0.2
505.14127	0.2
505.34302	0.9
505.75406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30163	0.2
59.01264	2.3
61.98702	0.2
71.01266	1.6
71.36880	0.3
72.99168	0.2
73.02835	0.4
75.00744	0.3
82.85160	0.2
83.01266	0.3
85.02827	0.5
89.02348	1.4
89.02804	0.3
90.02633	0.2
99.00745	0.6
99.04380	0.2
101.02345	0.6
109.02856	0.6
113.02347	0.6
121.02879	0.3
125.02300	0.2
131.03465	0.3
133.01273	0.2
133.02826	0.4
137.02390	0.3
149.04475	0.7
153.02022	0.2
160.04001	0.5
161.02420	0.2
162.14244	0.2
165.01790	0.3
169.42419	0.2
177.01895	0.4
187.03979	0.2
190.02699	0.4
191.03477	0.3
191.05386	0.3
197.06161	0.2
213.05663	0.2
219.02939	0.2
225.05515	0.4
232.16188	0.2
237.05594	0.3
243.06898	0.2
253.05011	0.5
254.05818	0.3
255.02925	0.9
268.03711	0.2
269.04605	6.7
270.04916	0.6
271.05997	0.4
281.04593	12.2
282.05121	1.9
283.02570	0.7
283.06113	4.1
284.06549	0.4
294.05322	0.8
295.06146	4.5
296.06598	0.4
297.04099	3.4
298.04880	2.2
299.05661	26.3
300.06006	2.3
301.10904	0.3
307.06088	0.4
309.00949	0.2
309.04080	4.6
310.04797	2.0
311.05670	13.3
312.06409	4.9
313.07211	8.5
314.04294	0.2
314.07651	0.5
323.05658	10.7
324.06360	4.2
325.03638	0.4
325.07031	1.7
327.05148	29.1
328.05618	4.2
329.06631	1.1
339.05112	0.6
341.06711	22.9
342.07446	23.8
343.08115	4.9
344.08337	0.3
357.06189	0.4
461.10739	0.3
475.12619	0.8
487.12811	2.4
488.12872	0.3
503.11911	0.2
505.13651	100.0
506.13968	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	505.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25520	0.2
52.43976	0.3
55.99679	0.2
59.01263	10.4
62.99249	0.2
70.28432	0.9
79.07455	0.2
80.40913	0.2
89.02316	0.2
94.18877	0.2
132.02057	0.5
165.01888	0.8
173.32797	0.3
184.04994	0.3
187.03969	0.7
195.04361	0.4
196.05275	1.2
211.03958	1.0
223.03996	0.7
239.03491	3.1
240.04286	17.8
241.04648	1.4
253.05112	0.5
267.03024	2.1
268.03812	16.3
269.04318	1.2
281.04608	1.3
282.02209	0.5
282.05386	13.4
283.06161	100.0
284.06522	8.3
284.09686	0.3
411.70816	0.2
445.11478	14.2
446.11877	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	0.6
59.01266	4.9
61.98730	1.1
70.21806	1.2
70.22218	0.7
71.01269	3.3
71.01597	0.3
72.99225	0.6
73.02861	0.7
75.00790	1.4
83.01285	0.6
85.02840	0.7
87.00803	1.1
89.02378	1.4
93.03407	0.6
95.01294	0.4
96.57704	0.4
97.30400	0.4
99.04436	0.5
100.46841	0.5
101.02359	1.4
109.02915	1.3
110.00163	0.4
113.02391	0.7
119.03402	0.4
119.05003	0.3
121.02895	1.4
125.02400	1.1
129.05290	0.4
135.04471	2.9
137.02342	0.8
147.04497	0.9
148.01613	1.6
149.02396	1.3
150.03108	0.5
151.03998	1.1
153.01939	0.4
161.02428	1.7
162.03116	0.4
163.03972	1.0
165.05623	0.5
174.03242	0.6
189.05614	0.5
191.03456	0.9
202.02776	1.8
203.03395	0.9
204.04056	0.5
207.02946	0.4
209.08182	0.5
214.02774	1.0
233.04729	0.6
239.07251	0.7
241.05121	0.5
251.07112	0.7
255.03159	0.6
255.06610	0.5
257.08246	4.2
267.06671	0.9
268.04031	0.5
268.07346	0.5
269.04666	1.0
279.06766	0.7
281.04752	0.5
283.06204	1.4
285.04053	0.8
286.04919	5.2
295.06253	1.2
296.03305	1.1
296.06476	0.5
297.04102	0.7
297.07584	0.5
298.04965	0.8
298.08209	0.7
299.05661	1.5
300.06329	0.7
301.07263	7.0
301.10898	1.5
302.07678	0.6
309.04361	0.6
310.04892	2.0
311.05731	5.0
312.06451	9.9
313.07010	1.4
323.05814	2.0
323.09094	0.7
324.06461	7.9
325.03653	0.6
325.07025	2.8
326.08047	2.0
328.05878	0.7
329.06662	1.1
336.06537	0.9
337.07245	0.8
339.08777	1.3
340.05984	1.5
341.06735	2.4
342.07358	4.6
343.08240	1.8
343.11945	0.7
344.05035	0.6
351.05112	0.7
352.05807	2.2
353.06744	1.5
354.07559	1.2
355.08316	2.6
357.09875	1.7
358.06973	1.6
364.05887	1.2
367.08456	2.6
369.09943	1.1
370.07001	5.1
371.07599	1.6
374.06467	0.6
379.08176	0.6
381.06302	0.7
382.06973	7.5
383.07413	2.0
384.08310	0.7
385.09402	13.1
386.09863	1.2
388.08035	0.6
397.09390	10.7
398.09619	0.7
400.08072	21.5
401.08615	2.1
412.08206	1.7
413.08929	0.9
415.10440	100.0
416.10767	11.6
427.10516	3.5
429.11929	2.2
445.11514	5.0
446.11935	0.6
451.10074	0.5
469.11603	2.1
487.12454	3.1
493.15640	0.5
505.13629	25.0
506.14133	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	505.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47349	0.2
59.01260	1.7
61.98716	0.5
70.04562	1.2
71.04935	0.3
78.95795	0.4
78.96756	0.2
83.15370	0.2
94.53368	0.2
108.02069	0.2
121.02869	100.0
122.03211	3.3
152.99509	0.8
162.06757	0.3
179.05019	0.2
180.05724	0.8
181.06546	2.5
197.06050	2.5
207.04527	1.0
222.08330	0.2
223.04102	0.4
225.05548	1.9
240.72078	0.2
257.09738	1.0
285.09344	0.4
295.06082	0.2
302.32251	0.2
313.07242	4.6
314.07822	0.3
329.07962	0.3
352.50986	0.3
357.06268	0.9
383.07822	1.0
417.09869	8.7
418.10101	1.1
419.21848	0.3
433.09445	0.3
460.35159	0.3
461.12534	0.3
487.30963	0.3
503.78043	0.3
504.33868	1.0
505.11533	10.0
505.31799	1.1
505.35001	1.4
506.11905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30869	2.9
59.01262	34.2
61.98690	5.1
67.61177	2.9
69.03329	3.7
71.01263	22.0
72.99192	5.1
73.02826	4.9
75.00751	3.0
81.03367	3.5
83.01274	5.7
85.02852	6.4
87.00739	3.8
89.02315	13.1
93.03320	5.5
95.01285	5.2
97.02831	7.9
98.02407	2.3
99.00730	3.5
99.04399	3.8
101.02347	12.5
105.03324	2.6
106.06517	2.9
107.01254	3.9
108.02069	3.9
109.02871	12.2
111.00755	4.5
113.02346	7.2
117.03355	7.9
117.05420	2.3
119.03407	3.5
119.04910	4.6
121.02827	7.8
123.00802	4.5
123.04433	7.6
125.02402	15.7
133.02863	5.2
135.04419	9.8
137.02353	14.4
138.44827	2.4
139.00250	2.8
139.03899	4.5
141.01839	5.3
147.00749	2.9
148.01570	3.4
149.02379	8.4
149.04436	2.7
150.05534	3.5
151.00266	6.7
151.03922	7.0
151.25508	2.4
152.01019	5.1
153.01834	9.4
160.03929	2.7
161.02356	6.0
163.00290	6.3
163.03925	5.5
164.01044	4.1
165.01846	14.2
167.03484	16.8
173.02419	2.6
174.05550	3.1
177.01859	8.9
178.99835	4.4
179.03442	7.2
179.05537	2.7
183.02974	4.8
191.03464	4.6
193.01396	15.3
195.03061	3.5
204.02861	3.3
205.01456	4.7
206.04478	6.2
207.02937	7.4
209.00862	3.0
211.04060	3.2
218.04582	3.7
221.00856	6.7
223.02458	4.7
225.05745	3.8
237.05817	3.4
241.05188	5.3
242.04802	2.5
253.04997	2.8
256.03665	3.0
256.06049	4.3
269.04547	7.5
283.06104	8.4
284.03262	3.6
285.03931	3.6
295.06100	5.2
297.04016	11.1
298.04877	53.2
299.05460	14.9
301.03497	6.9
309.04108	4.6
311.05704	13.8
312.05777	3.3
313.07040	3.7
321.04126	3.0
326.04279	3.8
326.08777	5.5
327.05194	15.3
328.05832	3.7
329.06616	3.0
336.05286	4.2
339.04886	3.5
341.05530	10.2
342.08823	3.7
343.04608	9.3
343.12009	3.9
354.06198	4.8
356.08105	3.7
357.06186	11.3
366.06265	11.4
371.07510	6.1
384.07309	58.2
385.07535	4.3
386.08603	3.1
396.07257	3.9
414.08527	9.6
431.09799	4.6
446.08517	4.1
447.09103	10.8
461.11017	18.5
463.09125	3.6
477.10620	6.4
486.10242	12.4
504.11588	100.0
505.09949	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
57.03344	0.8
58.00473	2.2
59.01265	60.2
60.01604	0.7
61.98722	0.4
69.03339	0.7
71.01271	55.7
71.56756	0.3
71.77879	0.2
72.01612	0.9
72.99200	3.8
73.02837	14.9
74.03168	0.3
75.00768	0.6
81.03332	0.4
83.01279	1.2
85.02844	5.9
85.23868	0.2
87.00785	1.9
87.04446	0.5
89.02338	100.0
90.02682	1.3
93.03373	0.3
95.01294	0.7
97.02863	1.1
99.00780	27.2
99.04419	0.6
100.01110	0.6
101.02348	41.4
102.02674	0.9
109.02863	0.5
111.00790	0.3
113.02359	9.1
115.00273	0.9
115.03907	0.8
116.92765	0.3
117.01886	0.4
119.03422	4.3
119.04864	0.4
123.04456	0.3
125.02361	5.1
126.02646	0.3
131.03430	21.9
132.03795	0.6
133.02850	0.2
137.02310	0.3
143.03441	2.0
149.04500	79.5
150.04823	2.0
153.01828	0.2
161.02383	0.5
161.04498	3.4
167.03610	0.3
179.05598	1.4
191.05588	17.9
192.05994	0.5
195.08452	0.3
221.04553	0.6
221.06644	4.2
222.06816	0.2
249.06250	0.3
251.05214	0.4
251.07774	6.8
275.07870	0.7
280.07556	0.4
281.05521	0.3
281.08633	0.8
293.08786	1.6
298.08432	0.3
299.09268	0.9
311.09836	2.2
327.11090	0.3
339.08823	0.7
341.06778	0.5
342.13397	1.0
387.20444	1.5
413.22046	0.3
485.20432	0.6
503.11487	1.4
503.21509	2.2
503.25153	1.4
504.12125	0.3
504.25723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3391
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
57.10048	0.7
59.01270	2.8
61.98745	0.6
71.01289	0.8
71.55305	0.8
74.39751	0.6
78.95789	7.4
80.53712	0.6
86.17518	0.7
96.95948	1.2
97.06526	0.7
151.11275	2.3
152.99530	3.7
171.00609	1.5
189.12788	3.3
191.14391	17.7
192.14737	1.2
193.16002	2.8
224.06926	1.4
225.07253	1.0
231.21231	1.6
235.13344	3.4
237.14983	27.0
238.15378	1.4
242.08195	0.8
245.04335	5.1
265.18176	4.5
267.19864	0.7
275.20380	2.1
277.21786	6.3
278.19254	0.5
278.22131	12.1
305.21283	3.3
322.13477	0.6
370.84625	0.6
405.67062	0.7
413.34784	0.8
423.33038	2.2
441.33841	9.0
442.34381	2.0
459.35367	3.1
460.35739	0.7
503.21710	2.5
503.34131	100.0
504.34436	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	503.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03335	0.9
58.00480	2.8
59.01264	67.4
59.42749	0.3
60.01596	0.7
61.98724	0.6
69.03346	0.8
70.23255	0.3
70.25006	0.2
71.01269	63.4
71.31184	0.6
72.01612	0.8
72.99194	4.6
73.02836	16.3
75.00774	0.5
83.01251	1.3
83.04902	0.3
85.02840	5.9
87.00785	1.8
87.04414	0.3
89.02337	100.0
90.02671	1.3
93.03362	0.3
95.01296	0.7
97.02850	1.3
99.00779	30.3
99.04430	0.6
100.01128	0.7
101.02345	40.3
102.02689	0.8
108.02049	0.4
109.02861	0.5
111.00821	0.3
113.02356	9.6
115.00284	0.8
115.03903	0.4
116.92796	0.9
119.03413	4.0
119.04913	0.4
121.02907	0.5
123.04408	0.2
125.02376	5.0
125.05981	0.3
131.03426	18.6
132.03792	0.5
134.03705	0.3
135.04459	0.3
143.03423	2.4
149.04495	67.8
150.04826	1.4
151.00267	0.4
151.07617	0.4
152.01086	0.9
153.01874	0.5
161.04495	4.8
165.09187	0.4
167.03436	0.5
177.01894	0.7
179.05630	1.4
179.10739	0.7
191.05586	16.2
192.05975	0.4
221.06689	3.4
231.08475	0.2
237.11397	0.2
247.08517	0.3
251.07745	4.5
263.07678	0.3
275.07877	0.3
284.03351	0.5
293.08862	1.0
299.05930	0.3
299.09393	0.3
311.09857	1.0
351.00162	0.3
387.20233	1.9
429.10352	0.5
443.22641	0.4
459.18414	0.6
459.29507	0.3
483.12372	0.3
485.20602	0.4
503.11935	0.6
503.20889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2516
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
51.64944	0.3
54.59148	0.3
55.01770	0.5
57.03339	1.6
58.00480	3.1
59.01264	72.4
60.01593	0.7
61.98719	0.6
65.00199	0.3
66.50630	0.3
69.03341	1.3
69.30206	2.8
71.01268	61.2
71.04904	0.5
72.01614	0.8
72.99201	4.7
73.02834	15.8
74.59931	0.3
75.00777	0.8
78.95811	0.5
81.03356	0.6
83.01268	2.1
83.04906	0.5
85.02843	8.2
87.00771	2.2
87.04412	0.3
89.02336	100.0
90.02679	1.9
93.03362	0.5
95.01299	1.4
95.04893	0.3
96.95897	0.6
97.02847	2.2
97.06499	0.3
98.20524	0.5
99.00780	28.6
99.04420	1.0
100.01117	0.5
101.02345	41.4
102.02654	0.9
108.02071	0.8
109.02840	2.0
109.06511	0.3
111.00779	1.2
113.02352	11.5
114.02683	0.4
115.03918	1.0
119.03422	3.8
120.08164	0.3
121.02848	1.5
125.02369	5.3
131.03426	22.7
132.03784	0.5
133.02890	0.3
134.03656	0.6
134.06007	0.4
135.04437	3.7
137.02429	0.3
137.09641	1.4
139.04042	0.4
139.11227	1.2
143.03445	3.5
147.04437	0.8
149.04497	68.9
150.04848	1.9
151.00330	0.5
159.02879	0.3
161.02434	0.7
161.04556	4.0
161.05995	0.7
162.03070	0.4
164.04791	0.3
164.07150	0.7
175.03914	0.6
177.01785	0.3
179.05600	0.4
188.04619	0.6
190.02692	0.3
191.05583	16.2
191.14514	0.3
192.05940	0.4
193.08690	0.6
195.25671	0.3
195.72546	0.3
205.08728	2.3
209.15416	1.8
219.10287	2.8
221.06606	2.6
229.06358	0.3
231.10258	0.5
233.06647	0.8
251.07715	3.1
269.04523	1.1
270.05099	0.3
275.07602	0.4
283.06119	0.3
283.09610	0.3
284.03491	0.3
284.06555	0.3
285.04028	1.2
287.05600	0.4
293.08945	2.2
295.05994	0.4
297.04095	0.3
299.05499	0.5
307.64981	0.3
311.09857	0.6
341.13989	12.0
342.14401	1.7
371.20648	1.3
413.12881	0.4
429.75494	0.3
503.16959	0.5
503.24969	9.9
503.32315	2.4
504.25653	1.3
504.31934	0.4
514.03137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	3.9
61.98706	1.1
70.69260	1.5
70.69633	1.3
75.00729	0.6
78.95794	44.8
83.04906	0.7
89.02294	0.6
95.21554	0.5
96.96853	4.3
137.81313	0.7
141.87576	0.5
145.93683	0.6
152.99527	54.9
153.99875	0.7
171.00597	19.1
175.79309	0.6
186.34003	0.6
202.21701	0.6
227.03270	2.1
231.21185	29.6
232.21532	2.5
245.04346	100.0
245.19110	0.7
246.04735	4.6
275.20221	45.2
276.20615	5.1
379.94284	0.7
441.33841	1.7
447.84769	0.8
468.83539	0.7
485.33148	0.9
488.18289	0.8
503.24200	33.3
503.33685	10.9
504.25082	3.5
504.34314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95052	2.5
56.10331	2.2
57.03318	3.8
59.01263	29.3
62.83270	2.3
66.19187	2.3
71.01300	5.7
71.50970	3.3
87.00788	4.8
96.95905	12.5
96.96862	7.2
99.56897	2.7
101.02356	4.1
102.59068	3.3
113.02351	5.7
117.09525	2.4
123.08061	6.6
125.06023	4.2
135.04456	2.9
169.10234	2.7
171.11761	7.2
189.12816	3.5
201.12759	4.0
237.14975	13.3
266.17755	2.9
281.14008	100.0
282.14349	8.7
293.08640	3.5
305.13922	8.8
323.15118	8.7
367.28323	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64669	0.3
55.01764	0.8
57.03329	0.8
58.00473	1.2
59.01266	32.7
60.38287	0.4
61.98718	0.4
65.67693	0.3
70.85954	0.4
70.86291	0.7
71.01270	100.0
72.01604	1.6
72.99198	14.0
73.02840	2.5
73.55381	0.3
73.61140	0.3
75.00755	1.8
83.01284	2.3
85.02843	7.0
87.00778	2.7
87.04446	0.3
89.02340	25.0
93.03371	0.6
95.01297	1.4
96.95953	0.8
96.99201	0.6
97.02843	0.5
99.00787	1.1
99.04427	0.4
101.02345	13.7
101.47279	0.4
109.02902	0.6
110.06702	0.3
111.00806	0.7
113.02361	12.3
115.00289	10.2
116.92735	0.5
117.03390	0.4
119.03420	10.3
121.02838	0.7
123.04424	0.6
125.02377	1.3
131.03447	1.3
133.02863	0.5
135.04521	0.5
137.02415	0.5
139.00278	0.5
143.03448	3.0
149.02446	0.6
149.04517	1.4
149.05957	0.4
151.00330	1.1
151.03842	0.6
152.01108	0.6
153.05566	0.4
159.02934	0.8
161.02426	0.7
161.04507	9.9
165.09186	1.0
167.03516	0.5
175.02518	1.8
175.03885	0.5
177.01915	0.6
179.03781	0.5
179.05588	9.8
189.12839	5.0
190.02783	0.6
205.05109	0.9
207.13899	1.2
210.72250	0.4
220.70927	0.4
221.11958	0.4
223.06131	0.7
233.15581	1.5
236.50940	0.3
247.08293	0.9
283.06427	0.5
297.07745	0.6
309.07687	0.4
311.05630	0.8
325.07071	0.4
327.05377	0.3
327.09946	0.5
340.06015	0.4
350.43542	0.5
353.06882	0.4
383.07944	1.8
387.20343	19.7
388.20590	1.9
401.18454	0.8
413.08926	1.1
413.21884	1.6
425.08636	0.4
431.19659	0.9
441.48425	0.4
465.10553	0.5
485.20386	7.7
486.20975	1.1
503.12195	3.9
503.21533	7.4
503.28769	0.7
504.12515	0.9
504.21744	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	503.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52840	0.3
56.09090	0.2
59.01265	3.5
59.64909	0.2
61.98713	1.5
71.55228	0.4
78.99847	0.2
84.04102	0.3
93.03365	0.3
109.02858	0.8
121.02843	0.9
123.04403	0.3
133.02879	0.8
135.04477	0.6
139.03972	0.2
148.01590	1.1
149.02376	1.1
150.03166	0.6
175.03946	0.5
177.01768	0.3
201.01990	0.3
207.08035	0.3
211.07710	0.4
225.05630	0.3
225.09230	0.5
227.07187	0.4
229.05000	0.3
237.05563	0.4
241.05042	0.5
253.05013	0.4
254.05711	0.3
255.06650	2.7
267.06650	1.8
277.08719	0.6
277.21997	0.3
279.06766	0.4
280.07620	0.4
291.10425	0.3
293.08444	0.4
295.09756	2.1
305.08255	0.5
307.09790	0.4
319.09845	0.8
321.07608	0.6
323.05573	0.5
325.18097	0.3
331.09927	0.3
333.07645	0.5
333.11237	0.3
335.09344	0.8
335.12912	0.5
336.09985	0.4
345.11398	0.4
347.09235	0.5
349.07346	1.0
350.07999	0.5
359.13095	0.5
361.07227	1.4
362.07806	0.3
363.08856	2.2
364.09647	2.1
368.09180	0.3
375.08557	2.0
375.12634	0.2
376.09143	0.5
376.13327	0.5
386.11627	0.4
387.12378	0.6
389.10275	0.9
395.18854	0.4
396.08572	1.1
403.11859	2.1
404.12686	7.5
405.13129	1.0
418.86746	0.2
445.16345	0.3
473.15524	0.3
475.21570	2.1
476.21811	0.4
485.20126	0.4
489.04584	0.2
503.20874	100.0
503.33289	3.0
504.21210	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16362	0.2
59.01254	1.0
61.98698	0.4
70.41293	0.2
71.01304	0.3
71.01920	0.5
71.02275	0.3
78.95774	0.3
79.05434	0.3
80.75217	0.2
88.41211	0.2
93.03368	0.5
107.04924	0.4
109.02844	0.9
117.03303	0.3
121.02876	0.8
133.02872	0.8
135.04453	0.7
139.03973	0.3
148.01549	0.9
149.02376	1.6
150.03120	0.5
175.03891	0.4
177.01810	0.3
185.05952	0.4
201.01884	0.3
221.09709	0.3
223.07613	0.3
225.05698	0.2
225.09047	0.3
227.07021	0.3
229.04987	0.4
237.05602	0.4
239.07184	0.3
241.05009	0.3
249.05687	0.3
253.05191	0.5
255.06580	1.5
256.07306	0.3
261.09140	0.3
262.06378	0.3
263.07312	0.4
263.11005	0.3
267.06757	3.3
267.23264	1.6
275.07147	0.4
277.08710	0.3
281.08365	0.3
291.10281	0.5
295.09845	0.4
303.10373	0.3
307.09753	0.3
309.11481	0.7
317.08035	0.4
319.09863	0.8
320.10663	0.4
321.07666	0.4
323.12997	0.8
332.10596	0.4
333.07687	0.4
333.11594	0.3
335.09406	0.9
346.08511	0.3
347.09302	0.9
349.07159	0.8
350.08029	0.6
361.07251	0.5
363.08902	1.5
364.09497	1.6
375.08636	0.9
375.12668	0.4
376.09409	0.6
377.10165	0.7
377.17679	0.5
389.10104	0.6
393.17212	0.8
394.17715	0.3
395.18741	0.6
396.08624	1.5
403.11978	1.0
404.12732	0.9
417.13531	0.9
431.15259	0.8
433.16229	0.3
447.21576	0.4
459.21732	0.4
475.21313	3.0
476.21671	0.5
485.19705	1.5
501.19583	0.4
503.20889	100.0
504.21216	16.7
511.65524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03340	2.3
58.00481	2.7
59.01264	57.2
59.95945	0.4
60.01617	0.8
61.98733	0.7
65.03851	1.3
67.01780	0.8
69.03350	1.0
71.01270	41.6
72.01608	0.8
72.99195	4.9
73.02835	4.8
73.79448	0.3
79.05428	0.9
83.01266	3.9
85.02845	10.0
87.00773	2.8
89.02338	35.6
90.02660	0.6
91.05430	3.9
91.08940	0.3
93.03391	1.5
93.07037	0.4
95.01282	4.3
95.04934	0.4
97.02859	1.0
99.00781	7.4
99.04427	1.1
100.01122	0.4
101.02348	25.4
101.05981	0.7
107.04979	0.5
107.58389	0.3
108.02081	2.0
109.02858	15.9
109.03614	0.8
111.00784	0.5
113.02361	15.8
114.02705	0.7
119.03419	9.5
119.04938	0.9
121.02877	10.9
121.06506	0.4
123.04453	0.7
125.02356	2.1
129.06956	0.4
131.03435	7.8
131.04944	0.5
131.08604	0.5
133.02893	1.5
133.06500	1.4
134.03648	2.2
135.04448	35.3
136.04811	1.5
137.02411	0.9
143.03445	1.6
145.02959	0.5
145.06522	0.7
146.03714	0.4
147.04456	3.4
147.08078	3.8
148.05031	0.4
149.03297	0.8
149.04495	16.9
149.05983	2.2
151.00317	0.8
151.03970	0.6
152.01080	0.4
153.01843	0.4
157.10226	0.4
159.04472	1.4
159.08018	0.4
161.02399	0.5
161.04509	3.4
161.06017	2.3
163.07567	0.4
166.05029	0.9
169.06580	0.8
171.04456	1.7
172.05287	1.0
173.06027	3.2
174.06772	1.4
175.07599	7.0
179.05527	2.1
185.06023	2.8
186.06828	0.4
187.07619	9.7
187.09207	0.7
188.08089	1.1
189.05568	0.5
189.09186	11.2
190.09473	0.5
191.05586	5.3
191.07161	0.5
197.06087	0.6
199.07587	2.3
201.09190	24.5
202.09541	1.0
205.08620	0.5
205.12506	0.4
213.09204	4.8
214.09943	1.5
215.07198	0.5
219.10335	0.9
228.04381	0.5
229.04955	0.4
229.18095	0.5
233.06662	1.5
243.06464	0.5
251.07718	0.5
253.05109	1.0
253.12335	0.6
254.05760	0.7
255.03177	1.1
255.06743	0.5
255.13928	0.7
256.07477	0.4
267.06595	0.5
268.07547	0.6
269.04819	0.6
279.13995	0.6
281.11975	0.9
283.02750	0.9
285.04123	1.2
289.08844	0.4
293.08850	0.8
298.04578	0.5
299.05728	0.7
305.11957	1.5
308.10544	0.9
311.09686	0.5
323.12943	100.0
324.13257	11.1
341.10373	0.6
341.14047	4.9
342.14487	0.6
371.20822	0.9
441.53430	0.3
443.19427	0.6
467.19131	0.5
485.06857	0.4
485.13849	0.4
503.19308	74.4
503.32098	2.7
504.12573	0.7
504.19635	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
56.50389	0.3
57.03345	2.1
58.00470	1.2
59.01265	26.6
61.98692	0.6
65.03844	0.8
67.01769	0.8
69.03320	0.8
71.01271	17.5
71.04883	0.4
71.52295	0.4
72.99201	2.2
73.02842	2.0
73.44921	0.3
75.00756	0.5
78.95781	0.8
79.05407	0.4
83.01275	2.4
85.02840	5.8
85.06489	0.4
86.11796	0.4
87.00792	1.9
89.02340	15.0
91.05446	2.7
93.03363	0.9
95.01306	1.9
95.04940	0.4
97.02846	0.9
97.06492	0.5
99.00766	1.3
99.04419	0.8
101.01712	0.6
101.02351	12.7
103.03918	0.4
107.04935	0.8
108.02087	2.7
109.02154	0.7
109.02863	12.2
109.03616	0.6
109.06487	1.2
110.03218	0.6
111.00774	0.6
111.16716	0.3
113.02356	8.6
119.02593	0.5
119.03425	7.0
119.04883	0.8
121.02893	6.4
121.06509	0.4
123.04411	1.2
124.01597	2.9
125.02343	1.7
125.09625	0.7
131.03409	1.2
132.08922	0.3
133.02869	1.6
133.10219	0.5
134.03618	1.0
135.04451	26.5
135.08083	0.4
136.01521	1.0
136.04823	1.1
137.02382	12.6
143.03448	1.2
143.08562	0.6
145.06516	1.5
147.04488	3.7
147.08102	0.6
148.05118	0.5
149.02390	1.0
149.04517	1.0
149.06017	1.4
149.09595	0.8
150.03186	4.4
150.31560	0.4
151.00298	0.9
151.07585	1.1
159.02917	0.5
159.04395	0.7
161.02345	1.0
161.04488	1.7
161.06039	1.0
161.09648	1.2
163.03984	1.3
163.07594	1.2
164.04765	0.5
165.01849	0.7
171.04468	0.6
172.05231	1.0
173.06018	1.1
175.07658	2.0
175.11250	1.5
177.05511	0.8
177.09181	0.6
179.05574	1.4
179.06981	0.5
185.06021	0.9
186.06772	1.0
187.04025	0.4
187.07643	3.4
187.11200	0.6
188.04872	0.4
189.05597	2.1
189.09180	1.5
191.05525	0.4
191.07132	0.4
193.08685	11.2
194.09070	0.7
199.07668	0.9
201.09184	4.0
202.09837	0.5
205.08704	6.9
206.09145	0.6
213.09146	0.7
215.07011	0.5
217.82350	0.4
219.10263	13.4
220.10643	0.6
227.07155	0.7
228.07878	0.5
229.05115	0.5
229.08723	0.4
229.18095	1.7
231.06670	1.3
231.10284	2.7
254.05830	1.0
255.06648	3.1
255.13919	0.8
269.04446	0.5
271.06064	0.9
271.09802	0.5
272.07086	0.6
273.15033	2.8
281.11725	0.4
295.13464	0.9
297.15030	1.8
299.05576	0.5
311.05597	0.4
323.12952	30.4
324.13232	2.2
340.12894	0.6
341.14005	100.0
342.14316	10.1
353.10434	0.5
359.28134	0.7
371.64786	0.4
373.22415	0.7
383.15024	3.0
391.23312	0.7
413.12100	0.5
503.12964	1.4
503.19370	38.9
503.31445	6.5
504.19797	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	503.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
57.03329	0.7
58.00480	0.5
59.01264	20.2
60.01590	0.2
61.98709	0.2
65.03851	1.0
67.01778	0.3
68.99668	0.2
70.72297	0.5
71.01269	9.0
71.04906	0.2
72.99197	1.0
73.02834	0.8
75.00731	0.3
78.91804	0.3
79.05400	0.3
81.03324	0.3
83.01286	1.0
83.04952	0.2
85.02844	2.7
87.00291	0.2
87.00774	0.9
89.02332	7.0
91.05428	2.9
93.03355	0.9
95.01278	0.8
95.04906	0.2
96.95915	0.2
97.02854	0.7
99.00779	0.7
99.04419	0.3
101.02345	6.4
105.06992	0.4
107.04934	0.3
108.02082	1.9
109.02859	14.7
110.03235	0.3
111.00806	0.2
113.02359	4.1
119.03413	3.4
119.04882	0.4
121.02869	8.2
121.06391	0.2
122.03736	0.8
123.04438	3.1
124.04787	0.2
125.02352	0.6
131.03447	0.5
131.08635	0.2
133.02876	0.7
134.03658	0.7
135.04445	42.9
136.04741	1.3
137.02324	0.2
137.06012	0.2
143.03453	0.7
147.04456	9.0
148.05110	0.5
149.02368	0.3
149.04527	0.5
149.06018	5.8
150.06398	0.3
151.03949	0.7
159.03026	0.2
159.04466	0.3
160.05266	0.4
161.02397	0.5
161.04509	1.0
161.06032	3.2
162.06790	1.4
163.03937	0.3
163.07626	0.2
173.06030	0.7
175.07596	0.6
178.20711	0.2
179.05569	0.5
183.08131	0.3
185.06064	0.5
187.07642	0.9
189.09151	0.5
193.08681	2.2
199.07654	0.5
201.05609	0.2
201.09190	2.7
203.07127	0.5
205.08701	1.3
207.08142	0.4
209.09853	0.2
209.88947	0.2
210.06866	0.2
211.07719	0.2
213.09221	0.7
219.10260	8.6
220.10649	0.4
225.09169	1.2
227.07187	0.5
227.10786	0.4
229.08672	0.4
231.10332	0.4
238.06349	0.3
241.08701	0.4
243.10399	0.2
251.07216	1.0
253.08694	0.7
254.05942	0.8
255.06442	0.2
256.07419	0.4
269.08252	2.8
270.08731	0.4
271.09805	5.7
272.10165	0.5
283.09860	0.7
299.13025	0.3
305.11978	0.2
323.12964	13.0
324.13303	1.5
339.12317	0.3
341.13998	100.0
342.14328	11.2
359.28171	0.2
399.23856	0.2
414.15289	0.3
433.28253	0.2
462.31653	0.2
503.19376	13.6
503.31375	2.3
504.19904	1.8
504.32440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.1
65.03851	1.2
67.01775	0.3
69.71178	0.5
69.71605	0.2
71.01270	0.2
73.02848	0.1
75.40692	0.1
85.02871	0.2
91.05428	4.7
93.03360	1.1
97.02872	0.4
98.19747	0.1
101.02306	0.1
105.07011	0.4
107.04944	0.3
108.02088	0.4
109.02857	14.9
110.03196	0.4
113.02324	0.1
121.02871	6.4
122.03714	0.8
123.00815	0.2
123.04438	0.5
133.02888	0.2
134.03670	0.2
135.04443	42.2
136.01590	0.7
136.04750	1.6
137.02385	0.5
137.06021	0.2
138.03152	2.8
144.05780	0.1
145.02888	0.4
147.04443	1.4
147.08067	0.1
149.02385	0.4
149.06015	4.0
149.09717	0.1
150.03166	1.7
151.03931	1.0
152.04695	0.2
156.17778	0.1
159.08115	0.3
161.02391	0.3
161.09660	0.4
162.03154	0.4
163.03943	2.0
163.07538	0.2
164.04732	2.7
165.05141	0.2
172.05246	0.3
173.06038	0.4
175.03973	0.7
175.07547	0.3
175.11230	0.2
176.04726	1.1
177.05586	0.2
177.09149	2.0
180.58588	0.1
186.06819	0.3
187.03931	0.1
187.07637	0.8
188.04768	0.3
189.05528	1.8
189.09178	0.2
190.06296	1.1
191.07103	2.1
191.10748	1.0
192.07858	0.7
192.11026	0.1
193.08673	3.0
193.32321	0.1
194.09105	0.2
198.06865	0.1
201.05501	0.2
201.09114	0.2
202.06296	0.5
203.07112	1.1
203.10744	0.4
204.07886	1.2
205.08682	16.7
206.09351	2.8
207.10217	0.9
213.09207	0.2
215.07080	0.2
216.07919	0.2
217.08670	0.3
219.10260	23.7
220.10590	1.5
229.05028	0.1
229.08652	0.2
231.10271	6.9
232.10780	0.7
253.05228	0.2
254.05920	0.8
255.06657	0.2
257.04562	0.3
270.05325	0.1
271.06076	0.5
271.13522	0.2
272.06946	2.5
273.07285	0.2
281.11740	0.3
295.13556	0.2
313.14401	0.2
323.12924	1.2
324.13425	0.2
339.12537	1.2
340.12747	1.1
341.13977	100.0
342.14325	11.5
503.19257	10.6
503.32416	0.2
503.33820	0.3
504.19537	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	503.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33958	0.9
57.03341	8.9
59.01268	8.2
61.98728	1.3
65.00233	1.0
68.99709	1.5
71.01274	3.5
71.04398	2.3
73.02827	1.3
75.00763	1.8
78.95770	1.8
81.03351	2.3
83.01281	9.5
85.02843	2.9
89.02337	2.7
96.95924	9.4
96.96853	3.4
97.02852	2.1
98.02386	1.9
99.04423	1.4
101.02338	3.8
103.22017	1.1
107.01310	2.0
113.02345	2.5
120.92339	1.0
121.02861	1.3
123.04443	20.9
125.02365	60.2
133.02844	1.4
135.04417	1.2
137.02354	1.5
139.03983	1.2
147.00882	1.2
149.02397	9.5
151.00322	3.0
152.22314	1.0
161.02353	4.3
161.04532	1.4
164.04764	4.3
167.03458	58.8
168.03793	3.2
175.00351	4.5
177.01892	100.0
178.02193	4.5
179.03477	3.4
190.02654	9.6
191.03444	2.1
195.03032	1.4
205.05084	9.4
209.04521	4.4
209.08136	1.4
219.02922	1.2
223.06134	9.9
433.13580	9.1
475.14661	19.8
476.14981	1.5
485.12949	13.1
486.13629	1.2
503.12930	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	502.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17678	0.2
55.17961	0.2
57.45050	0.2
59.01260	2.0
61.98717	100.0
67.36391	0.2
71.01289	0.2
71.03894	0.4
91.51510	0.2
115.43680	0.2
127.59327	0.2
151.17465	0.2
255.89912	0.2
277.21826	0.5
278.22284	0.8
279.22519	0.3
280.22742	0.3
451.62878	0.2
502.32639	0.3
503.21042	0.5
503.33975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.1
59.98394	0.1
61.98705	0.1
69.65645	0.0
71.01266	0.3
71.01629	0.0
71.53592	0.1
78.95792	6.6
83.04913	0.2
95.04908	0.1
96.96852	0.1
97.06461	0.1
99.04444	0.1
104.97375	0.1
109.28511	0.1
127.07567	0.2
141.09157	0.1
152.99513	0.7
168.04268	1.8
169.04619	0.1
171.00664	0.1
205.19702	0.1
214.11578	0.1
224.06900	1.2
225.07228	0.1
233.22798	0.4
234.23288	0.1
237.18387	0.1
242.08014	3.2
243.08453	0.1
259.20657	0.4
275.20154	0.4
277.21771	100.0
278.22116	9.2
286.09518	0.1
502.29498	11.7
503.20959	0.7
503.29886	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	501.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27993	0.9
59.01265	100.0
69.07393	0.9
71.01258	2.9
71.58346	1.4
85.02847	1.8
89.02367	2.2
97.06511	1.0
101.02346	3.0
113.02357	5.1
119.03397	1.3
145.51250	0.9
156.44594	1.1
156.64651	1.0
161.04439	2.0
226.93205	0.8
258.09579	0.9
279.23349	90.2
280.23669	7.2
293.24933	2.3
293.73834	1.0
321.24362	2.6
355.35327	1.0
476.91183	1.1
501.32285	19.0
502.32578	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	501.3232
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
52.01376	0.5
56.98653	0.5
58.75497	0.4
59.01265	1.2
61.98721	0.7
62.97700	0.5
71.55222	0.6
71.55595	0.7
104.38185	0.4
119.05276	0.4
152.99532	0.9
160.84233	1.2
162.83864	3.8
169.17783	0.5
177.05559	0.8
187.11229	1.8
189.12830	7.9
190.13245	0.9
205.15964	31.8
206.16374	2.3
248.14107	0.5
249.14983	6.9
250.15271	0.6
251.16585	1.0
253.18173	0.9
265.21838	2.2
397.31149	3.2
413.34381	4.1
457.33374	9.7
458.33868	0.8
483.31665	0.7
500.42148	0.6
501.32333	100.0
502.32645	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	501.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78119	0.4
55.01785	0.8
57.03340	3.9
57.05203	0.3
59.01264	54.6
60.05971	0.5
61.98714	1.6
65.00237	0.4
65.79457	0.4
67.01777	1.5
68.99727	0.5
69.03329	0.7
71.01270	11.7
71.51974	0.8
72.99197	1.6
73.02833	5.2
75.00775	1.0
81.03360	0.9
83.01273	3.9
83.04914	1.2
85.02840	10.1
87.00768	2.1
87.04419	0.8
89.02338	4.2
93.03365	1.0
95.01282	1.2
95.04958	0.5
96.95907	0.9
97.02871	1.4
97.06477	0.9
99.00786	2.7
99.04433	3.7
101.02338	8.1
101.05989	0.5
102.02628	0.5
107.04922	0.6
108.02094	1.0
108.92737	0.4
109.02861	1.4
109.06544	1.0
111.00795	1.1
111.04412	0.5
111.08052	0.5
112.01534	0.5
113.02357	7.5
117.05489	100.0
118.05829	3.1
119.03400	0.7
119.04941	1.6
121.02888	1.0
121.06503	0.6
123.00853	0.5
123.04429	0.8
123.08073	0.5
125.02374	3.4
125.05961	0.9
127.07519	0.8
129.01842	1.7
131.03462	0.6
133.02826	0.4
134.03645	0.6
135.04445	0.6
135.08112	2.4
136.01570	0.7
136.05252	0.7
137.02325	0.9
137.09596	0.4
139.07585	1.9
143.03400	1.6
148.01596	0.6
149.02367	1.3
149.04488	0.7
149.05980	0.5
151.00296	1.1
151.03934	0.7
151.07594	4.0
152.01047	0.5
153.01825	0.9
159.02933	1.0
161.02351	0.8
161.04514	4.6
163.00356	0.5
163.03978	0.5
164.01060	0.7
165.05568	0.4
169.08672	0.5
177.01924	0.7
179.05579	0.6
182.69055	0.5
192.00618	8.9
193.01407	4.9
196.00070	0.4
203.07053	0.6
203.86890	0.4
207.06616	1.8
227.09129	0.4
237.05647	0.9
253.08618	1.2
269.04517	0.6
269.10394	3.3
271.06140	0.9
295.16238	0.7
297.07687	3.7
297.16870	0.8
298.08267	0.5
309.03909	0.6
311.11279	0.9
339.12073	0.7
339.15558	1.4
341.16165	2.5
367.08362	0.8
383.13541	10.5
384.13782	1.1
399.16492	0.8
401.14597	24.9
402.14932	2.0
413.29172	0.8
413.55212	0.4
425.09189	0.5
443.15494	0.5
457.21378	0.4
457.27890	2.0
457.33774	0.5
483.33786	2.3
501.12442	8.4
501.20392	1.1
501.30569	20.6
502.13434	1.5
502.31174	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58644	0.5
57.03340	1.6
58.00460	0.7
59.00965	0.8
59.01262	15.1
61.98708	3.7
69.01627	0.6
70.66779	1.1
70.67149	1.2
71.01269	100.0
72.01611	1.3
72.99200	18.5
73.02831	3.2
75.00759	0.8
83.01277	2.3
85.02835	8.1
86.03186	0.6
87.00760	2.1
89.02334	8.8
89.12167	0.5
93.03354	0.7
95.01289	1.8
95.04922	0.6
96.70130	0.5
97.02869	1.3
97.46372	0.6
99.00780	2.7
101.02351	10.9
101.03013	0.7
109.02891	0.8
113.02354	7.7
113.06021	0.7
115.00287	11.2
116.00657	0.7
117.03367	1.3
118.54095	0.5
119.03409	3.0
123.04444	0.5
123.08101	1.1
125.02401	1.2
125.05974	0.6
135.04465	0.7
136.05275	0.8
137.02335	0.8
138.06744	3.7
139.03940	0.7
139.07587	1.9
143.03435	1.6
145.01375	0.6
151.03914	0.7
151.07587	5.0
152.08374	7.0
153.09151	20.8
153.98387	0.5
154.09520	0.9
159.02919	1.5
161.04507	11.9
163.11276	0.7
167.03444	0.8
167.07158	0.8
175.02409	0.9
175.59732	0.5
177.01843	0.6
177.05632	0.6
179.05574	2.5
179.10701	0.6
205.12302	12.6
206.12727	1.0
223.13391	14.5
224.13759	1.0
295.06116	0.6
297.07748	0.8
309.07993	0.7
311.05579	0.7
323.05753	0.6
351.04800	0.7
353.06836	1.6
365.06998	0.6
381.06018	1.7
385.18753	45.5
386.19058	5.6
393.06174	1.1
411.07449	1.6
441.08557	1.7
443.09979	0.8
483.09607	2.1
483.18781	7.6
484.19315	1.1
501.10358	4.3
501.20004	25.1
502.20490	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	501.1778
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
53.82814	0.2
56.42271	0.2
57.01462	0.2
57.03313	0.3
57.17931	0.3
59.01264	14.1
60.01577	0.3
61.98722	0.3
69.03337	0.3
70.17527	0.9
70.18178	0.3
71.01268	1.9
72.99203	0.9
73.02830	0.8
75.00758	0.3
85.02827	0.7
87.00778	0.3
88.95906	0.3
89.02324	0.8
93.03362	0.4
95.01290	0.3
95.24123	0.2
96.95873	0.3
99.04445	0.3
101.02355	1.1
108.02109	0.2
109.02862	1.1
111.00766	0.4
113.02330	0.7
119.03425	0.5
119.04958	0.3
121.02860	0.8
123.04424	0.2
125.02372	0.5
131.03404	0.3
133.02890	0.7
135.04449	0.5
148.01613	1.1
149.02396	0.4
150.03143	0.6
151.00386	0.3
151.03911	0.3
161.02402	0.6
163.03975	0.5
163.05943	0.3
174.03178	1.0
175.03857	0.4
176.98877	0.2
177.01822	0.3
179.05592	0.2
191.03442	0.3
191.07094	0.3
202.02736	1.3
203.03471	0.9
204.04301	0.4
205.05009	0.3
217.08714	0.6
221.15535	0.4
224.04875	0.3
229.08647	0.2
231.36111	0.3
238.06190	0.3
239.07210	1.3
240.04398	0.3
240.07697	0.4
241.05127	0.5
252.04413	0.4
253.05107	0.3
255.06714	1.8
265.05142	0.4
266.05966	0.4
267.06726	1.9
268.03922	0.3
268.07339	0.4
269.04602	0.6
269.08023	0.4
279.06552	0.3
280.07605	0.3
282.05392	0.5
283.06223	3.4
284.06790	0.9
293.04681	0.4
294.05341	0.4
295.06177	0.9
296.03415	1.1
297.04001	0.8
297.07440	0.5
298.08444	0.5
309.04239	0.5
309.13519	0.3
310.04886	1.8
311.05688	8.8
312.06448	16.6
313.00143	0.2
313.06964	1.8
322.04810	1.0
323.05670	3.1
324.06427	2.0
325.07162	3.0
326.08002	4.6
327.08746	5.8
328.09137	0.6
330.07614	0.3
337.07327	2.0
339.08798	2.1
339.12378	1.1
340.05905	0.6
340.09399	0.5
341.06732	1.2
349.07385	0.4
351.08997	0.3
352.09729	0.5
355.08344	2.0
358.07019	7.3
359.07343	0.7
364.09671	1.1
367.08072	0.3
368.09171	0.9
372.12350	0.3
379.11945	0.7
380.08948	0.9
381.09506	0.4
382.10822	0.5
383.11490	1.2
393.10007	0.4
395.11646	1.3
397.13324	1.3
398.10208	0.7
399.10812	0.6
409.12994	0.9
413.12549	0.6
415.10355	4.3
415.27042	0.4
416.11203	3.9
430.12686	0.8
431.13684	3.1
432.13431	0.3
462.11649	2.5
463.11780	0.3
465.15488	0.7
468.14462	1.0
469.15381	0.4
483.17026	1.6
486.15436	3.9
487.16147	0.7
499.17096	0.3
501.17789	100.0
502.18091	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	501.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	4.2
61.98718	2.0
62.04401	0.3
63.02291	0.3
67.01781	0.3
69.65066	2.1
71.01273	2.0
72.99202	0.5
73.02836	0.6
75.00768	0.4
76.52811	0.3
77.03870	0.3
83.01291	0.4
85.02857	0.7
89.02344	1.3
91.11592	0.3
93.03351	1.9
95.01291	1.2
96.95922	0.7
97.02885	0.5
101.02365	1.3
102.60166	0.3
103.03915	0.8
105.03358	0.8
107.01302	0.6
108.02087	0.9
109.02909	0.6
113.02364	0.8
119.03455	0.5
121.02879	3.5
123.00727	0.4
125.02357	0.9
136.01579	0.8
137.02394	1.3
139.03961	0.5
148.01602	0.7
149.02365	3.7
151.00320	0.9
152.01096	0.3
159.04509	0.5
163.00296	1.0
164.00938	0.4
165.01852	1.2
167.03452	0.5
175.00354	0.5
177.01920	1.6
189.01967	0.4
190.99861	1.0
192.00613	12.2
193.01395	100.0
194.01743	5.3
207.03056	0.6
235.02495	1.2
254.95453	0.4
310.83524	0.4
328.07098	0.4
337.05664	2.7
338.06104	0.5
355.06689	1.0
501.12515	33.4
502.12909	4.0
511.44412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13412	0.4
52.57226	0.4
57.03329	1.6
59.01263	7.5
61.98711	0.7
65.00204	0.6
67.01785	0.8
71.01266	12.8
72.99191	2.1
73.02825	2.0
75.00780	0.5
81.03388	0.5
83.01280	3.2
83.04905	0.7
85.02843	2.5
87.00767	1.5
89.02345	4.4
92.12219	0.5
93.03316	0.8
95.01285	1.1
97.06505	0.7
99.00787	2.0
99.04408	1.4
101.02351	3.0
107.01287	1.6
108.02081	2.2
109.02850	0.8
111.00791	0.5
113.02316	2.3
115.00285	1.3
115.73778	0.5
119.03424	1.3
119.04944	0.7
121.02873	1.0
123.00774	0.7
123.04415	0.4
124.01575	0.5
125.02355	3.3
125.05985	1.0
127.00365	0.6
129.16412	0.5
131.91057	0.5
135.08090	1.6
135.09070	0.5
136.01588	2.8
139.07571	0.6
149.02393	3.6
149.04489	1.9
149.05682	0.4
149.99535	0.6
151.00296	3.5
151.07533	2.2
161.04469	1.1
164.01030	2.6
165.01848	1.6
167.03563	0.7
169.08527	0.5
179.05565	1.1
192.00609	80.3
193.01382	54.0
194.01814	3.0
205.01434	0.9
205.12267	0.8
206.02202	1.6
217.01413	1.5
234.01749	1.7
235.02504	1.9
341.26385	0.5
347.24481	0.7
355.06784	1.6
381.08762	0.9
385.18823	2.0
397.09375	0.6
402.15176	0.5
413.29102	0.7
457.28128	2.0
457.34778	0.5
470.25226	0.5
473.12817	0.5
483.18866	1.6
483.33447	1.4
500.33310	0.9
501.12625	100.0
501.30557	16.2
502.12927	12.4
502.31366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01597	1.7
61.98709	0.6
70.28072	1.4
70.41675	0.4
71.01270	1.1
98.19837	0.5
135.79770	0.4
145.56258	0.4
199.13353	0.5
277.14401	0.5
277.21753	3.4
319.22864	0.6
347.26120	1.6
365.27066	10.4
366.27417	0.9
393.89905	0.5
404.61127	0.5
499.30225	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	499.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79632	0.2
59.01265	100.0
59.42170	0.2
60.01609	1.0
69.32987	2.1
71.01260	0.4
77.06026	0.2
83.63625	0.2
86.28931	0.3
89.02364	0.3
91.03925	1.0
116.13050	0.3
122.53577	0.2
128.66023	0.2
129.47116	0.2
135.32899	0.2
158.25536	0.3
162.13454	0.2
187.11345	0.4
189.12885	1.3
199.13412	0.4
204.59592	0.2
205.15970	5.7
206.16388	0.3
231.14017	0.3
249.15002	0.3
277.21832	0.8
347.25970	1.3
365.27032	8.8
366.27322	1.3
485.15256	0.3
499.30698	3.6
500.31122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37702	0.3
56.17154	0.3
57.03326	0.3
58.00460	0.5
59.01264	100.0
60.01596	1.1
70.05679	0.3
70.90429	0.9
71.01273	4.7
72.99176	0.5
73.02837	1.7
75.00772	0.5
83.01313	0.4
85.02826	2.1
89.02347	2.6
94.34233	0.3
95.01279	0.8
101.02351	3.6
113.02356	5.7
119.03410	1.7
143.03436	0.8
151.99884	0.3
161.04526	1.9
205.15869	0.7
221.06625	0.7
233.22849	0.3
259.20786	0.5
273.22369	0.9
277.21777	87.4
278.22116	8.3
278.24600	0.2
291.23367	5.2
292.23672	0.5
301.21823	0.5
319.22833	3.0
320.23096	0.5
349.23877	0.5
402.78027	0.4
406.23331	0.4
411.32794	0.4
499.30460	3.1
500.31100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97965	0.1
55.01767	0.3
57.03325	0.2
58.00466	0.1
59.01264	5.8
61.98706	0.3
69.03324	0.1
71.01266	4.1
71.52055	0.2
71.56023	0.1
72.99181	0.4
73.02836	1.1
83.01269	0.4
83.04913	0.2
85.02837	1.1
87.00758	0.6
89.02335	2.9
95.01275	0.4
97.02863	0.1
99.00757	0.3
101.02345	4.5
103.03893	0.2
108.73154	0.1
113.02367	1.7
115.03940	0.1
119.03428	0.9
125.02391	0.1
127.07532	0.3
131.03423	0.2
133.04979	0.5
138.86308	0.1
143.03415	0.3
157.04991	0.1
161.04509	1.9
179.05562	0.5
191.17955	0.1
219.21176	0.3
235.08238	1.5
240.70256	0.1
245.19054	0.2
253.09317	16.8
254.09605	0.9
261.18649	0.3
263.20200	100.0
264.20544	8.9
437.35593	0.1
499.31473	0.6
509.62326	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	498.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08548	0.3
52.89492	0.3
56.64569	0.3
57.03341	0.3
57.76811	0.3
59.01272	0.8
61.98718	100.0
68.34984	0.3
69.45374	2.6
81.48700	0.3
96.85667	0.3
98.20531	0.6
131.00754	0.3
137.80968	0.3
143.55835	0.3
151.07596	0.8
159.95753	0.3
200.98322	0.3
231.07205	0.3
270.21753	0.5
312.06580	0.4
323.05795	0.4
324.06012	0.6
335.05939	0.3
342.07260	0.4
354.06903	0.6
407.20807	0.3
435.34705	0.4
465.19247	0.4
483.19861	1.4
497.21707	0.9
498.22137	8.7
498.28845	0.5
499.22867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40772	0.5
50.71247	0.4
51.79953	0.5
55.01771	3.8
57.03340	2.7
58.00489	0.7
59.01265	17.9
59.18529	0.5
61.91530	0.5
69.25217	3.9
69.25624	1.7
71.00902	0.9
71.01269	14.4
72.01596	0.5
72.99191	1.4
73.02835	19.0
81.03341	0.7
83.01276	59.3
83.04965	0.7
84.01592	1.6
85.02845	5.6
87.00774	1.2
87.04424	1.5
89.02341	9.0
94.86752	0.4
95.01309	0.9
97.02847	0.9
99.00775	10.8
99.04427	1.5
101.02347	49.5
102.02662	1.2
113.02372	5.7
115.03928	1.2
119.03445	3.7
123.04454	0.5
125.02356	1.6
127.00298	28.2
128.00606	1.0
129.54382	0.5
143.03435	0.7
151.00288	1.0
151.04025	0.6
151.07619	1.2
161.04459	0.9
168.61856	0.5
174.01642	0.6
179.05540	0.8
193.01318	0.9
207.10258	1.7
225.11258	1.6
242.88611	0.5
247.79070	0.5
282.14722	0.5
327.07663	0.6
499.22000	100.0
499.32358	3.5
500.15381	0.7
500.22321	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	2.1
57.03334	1.4
58.00475	1.7
59.01265	37.4
61.33818	0.5
61.98721	4.7
66.27721	0.6
66.48860	0.5
67.01795	0.7
69.03336	0.9
71.01268	37.2
71.51294	0.6
72.99188	2.6
73.02835	10.4
75.00770	0.7
83.01278	6.4
85.02353	0.9
85.02847	14.5
85.99980	0.5
87.00754	2.7
89.02338	17.3
90.02650	0.6
95.01289	2.8
96.72881	0.6
96.95915	18.0
96.96562	0.9
96.96834	1.4
97.02800	1.4
98.02400	3.9
99.00765	6.7
101.02346	28.4
107.01369	0.7
108.02110	0.7
109.02846	0.9
111.00773	5.1
113.02358	12.4
115.03917	1.2
117.14833	0.6
119.03379	1.1
123.00809	0.7
123.04472	1.0
125.02377	3.3
129.01866	1.3
131.03433	9.3
135.04430	1.3
137.02402	0.8
139.00273	1.1
141.01840	2.6
142.04057	0.6
143.03435	1.6
149.02353	0.6
149.04506	4.4
150.03149	0.7
151.00317	0.7
151.03932	1.9
152.00977	0.7
153.01840	1.5
159.02924	1.9
161.04515	6.4
163.34279	0.8
166.99803	1.9
168.00569	0.6
177.01913	1.2
203.48984	0.6
215.03569	1.0
233.06636	1.4
234.60905	0.6
279.07150	0.6
289.16772	0.8
293.08969	1.0
301.03519	2.4
307.17670	22.6
308.18143	1.3
319.04642	1.9
439.21918	100.0
440.22247	10.5
481.09805	0.8
499.11060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	3.9
57.03333	4.6
58.00466	1.2
59.01265	55.6
61.98723	8.3
69.03349	0.9
70.08237	2.8
71.01271	42.6
72.99196	4.9
73.02837	19.8
73.03246	0.9
74.61082	0.8
75.00771	1.2
81.03365	0.9
83.01276	13.4
83.04887	1.3
85.02359	1.6
85.02849	21.9
87.00784	7.3
89.02328	4.9
95.01299	3.0
97.02843	2.3
99.00770	6.9
99.04420	1.2
101.02348	41.9
102.02692	1.1
103.00278	1.7
103.03910	1.0
108.02073	1.1
109.02840	1.4
111.00781	1.8
111.04432	0.9
113.01640	1.4
113.02357	17.5
117.03362	2.2
119.03403	1.0
119.04885	1.1
121.02817	1.4
123.04441	1.6
123.08103	1.2
125.02347	3.2
125.05994	1.5
129.01810	1.1
135.04440	1.0
136.05252	1.8
137.02356	2.4
139.03912	1.0
139.07542	0.9
143.03416	1.7
145.05058	1.1
151.07602	2.8
159.02910	4.2
161.04498	12.2
163.06059	1.3
165.09181	1.1
173.06148	1.0
179.03471	1.8
193.04948	0.9
209.11861	5.6
287.22351	2.1
291.18213	58.2
292.18494	5.9
297.07684	0.9
335.05725	1.7
337.41147	0.9
337.45013	1.0
425.08795	3.2
437.24002	100.0
438.24329	10.2
449.27756	6.8
450.86902	0.9
479.15488	5.4
479.30011	3.5
497.16684	3.2
497.20535	1.4
497.31519	15.4
498.31616	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	497.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89183	0.6
55.01757	2.2
55.69895	0.6
57.03334	2.8
58.00470	1.2
59.01266	39.1
61.98705	1.2
69.03329	1.9
71.01270	38.2
71.06864	1.4
72.99195	2.6
73.02831	7.8
81.03393	0.7
83.01283	4.9
85.02840	14.7
87.00772	2.3
89.02335	23.3
95.01275	1.4
97.02837	1.8
99.00782	4.6
101.02348	23.7
111.00774	3.2
113.02360	9.2
115.03920	0.8
119.03420	2.3
125.02361	4.0
131.03421	9.6
143.03413	2.1
143.10724	1.3
149.04472	8.8
159.02919	1.7
161.04494	6.2
191.05624	2.3
215.05620	0.8
233.06679	2.7
293.08798	3.3
305.16104	16.1
306.16397	1.9
397.26456	0.7
437.20364	100.0
438.20679	11.2
490.41605	0.7
497.22470	1.5
499.71783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.2
57.03340	3.7
58.00468	1.2
59.01266	57.4
59.48987	0.6
60.01596	0.6
61.98719	9.4
69.03335	0.9
69.52359	4.0
71.01270	37.6
72.01619	0.7
72.99190	3.2
73.02446	0.9
73.02837	15.8
75.00763	0.8
78.95802	0.6
81.03330	0.7
83.01276	12.1
83.04891	0.7
83.79861	0.5
85.02844	21.1
85.03362	1.0
85.99985	0.8
87.00774	4.5
87.04409	1.0
89.02341	4.5
95.01257	2.5
97.02859	1.6
99.00790	6.2
99.04404	1.7
101.02346	37.3
102.02691	0.8
103.00288	0.6
103.03913	2.0
108.02083	1.2
109.02863	1.3
109.06574	0.5
111.00758	0.9
113.02363	16.4
113.92980	0.5
119.03391	1.6
119.04955	1.0
121.02856	0.8
121.06498	1.0
123.00782	0.6
123.04469	0.8
125.02386	4.0
125.05959	0.6
129.01872	1.1
136.05150	0.5
137.02386	1.4
143.03384	1.4
145.04999	1.1
148.04002	0.5
151.00340	0.6
151.07562	0.9
152.01076	1.7
153.01875	0.9
159.02928	2.2
161.02444	1.3
161.04518	12.0
163.06116	1.1
165.05708	0.6
181.21623	0.5
189.05620	0.6
199.13480	0.7
205.03339	0.6
269.04648	0.9
271.05981	0.6
291.18204	56.5
292.18518	3.0
335.12796	0.7
335.17462	0.8
407.11868	0.7
425.09085	1.1
437.24005	100.0
438.24341	12.3
449.27588	1.9
453.12692	0.5
453.28607	1.5
479.15463	1.5
479.30273	2.0
497.14590	1.3
497.19885	3.5
497.31699	6.4
498.31921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26252	0.6
54.45633	0.6
55.01759	2.3
57.03340	2.9
58.00478	1.4
59.01263	43.7
61.98722	5.5
69.03337	1.6
70.76155	1.0
70.76505	1.4
71.01269	48.1
72.01602	0.9
72.99193	2.3
73.02837	11.9
75.00748	1.1
81.03349	0.9
83.01275	5.6
85.02838	13.6
87.00782	3.8
89.02336	32.8
93.03286	0.6
95.01273	2.6
96.95876	0.7
97.02830	3.3
99.00774	6.6
101.02347	27.9
102.48348	0.6
109.02873	1.0
111.00790	3.7
113.02352	13.2
115.03886	1.5
118.08576	0.7
119.03403	3.5
119.04893	0.7
125.02378	6.6
129.01869	0.9
131.03429	12.5
137.02371	1.7
143.03429	3.0
143.10686	3.4
149.03322	0.9
149.04497	16.1
150.04750	0.7
152.01031	1.2
153.01866	1.2
159.02888	2.0
161.04515	6.4
191.05577	4.7
215.05815	0.6
233.06689	2.8
293.08835	4.6
299.05841	0.9
305.16107	12.1
401.13663	0.7
437.20355	100.0
438.20749	10.8
461.16101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.334
Annotation	26-Hydroxybrassinolide
Peak:m/z	Relative Intensity
59.01260	3.1
65.30366	1.0
69.88102	5.4
83.04918	34.6
83.53750	1.0
84.05267	1.5
84.76459	0.9
87.00768	2.0
97.06477	4.6
99.04429	3.1
102.06490	0.9
107.04906	1.2
111.04431	50.4
112.04714	1.3
121.55042	1.0
123.00838	1.0
125.06007	6.7
126.03206	1.6
127.03941	29.4
161.02383	1.1
293.28491	1.5
298.76151	1.0
323.29379	1.4
367.28625	8.8
407.35370	3.2
433.33466	2.2
451.34470	3.1
495.33423	100.0
496.33710	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	496.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.2
59.01257	1.9
60.51974	0.2
61.98717	100.0
65.00202	0.3
71.01270	1.2
71.51917	0.3
73.02838	0.4
83.01312	0.6
85.02853	0.6
87.00761	0.2
87.83372	0.2
89.02350	0.4
93.03356	0.2
99.00766	0.3
101.02361	0.7
109.02867	0.8
113.02364	0.4
119.03440	0.2
119.04921	0.4
121.02876	0.2
125.02370	0.3
135.04436	0.2
137.02399	0.6
150.05437	0.2
151.00327	0.6
151.03998	0.2
152.01079	0.2
153.01872	0.2
161.04523	0.2
166.05103	0.8
167.03430	0.3
271.06323	0.5
326.06921	0.2
333.26566	0.3
479.15750	0.2
495.32047	1.1
496.32202	0.7
497.16797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	3.9
59.01264	100.0
61.98717	15.6
71.01271	35.4
71.04884	3.5
71.52000	6.1
72.99180	5.9
73.02840	17.1
77.57744	3.1
83.01299	12.9
83.04899	3.0
85.02829	19.1
87.00763	12.3
88.01461	2.8
89.02347	13.2
93.03324	3.2
95.01284	3.3
97.06457	3.5
99.00781	7.5
99.04414	3.8
101.02361	36.1
108.02039	4.6
109.02846	10.7
109.95242	2.7
111.04419	7.1
113.02359	16.1
115.03889	2.7
117.03375	4.7
119.04984	4.9
123.04386	4.9
125.02345	9.5
135.04457	6.8
135.08072	5.2
136.05219	5.3
137.02379	12.8
143.03337	2.7
149.02316	4.2
149.06042	3.3
151.00235	5.3
151.03925	4.1
151.07567	5.4
152.01088	5.0
153.01903	3.0
159.02892	4.2
161.02406	3.2
161.04456	9.6
177.01868	3.0
177.05594	3.2
201.02048	3.1
209.11795	3.3
217.08745	4.1
287.22311	5.5
291.18198	27.6
292.18793	3.6
299.09482	4.1
329.23508	3.6
335.05463	4.5
335.09253	6.1
356.33334	3.2
424.16077	2.9
425.08731	10.4
437.23956	54.0
438.24295	6.1
449.27664	22.6
450.27972	4.1
453.28510	6.7
461.14532	8.8
461.23563	3.8
467.29993	4.3
479.30026	8.3
497.21365	64.2
497.31137	38.7
498.21756	7.8
498.31491	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	495.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67417	0.6
55.01771	4.4
57.03336	3.7
57.74290	0.6
58.00472	1.2
59.01265	100.0
60.01600	3.6
61.98717	2.7
66.54932	0.6
69.03338	1.6
71.01270	53.0
72.01628	1.1
72.99209	3.6
73.02837	21.1
75.00768	1.1
81.03383	1.0
82.04350	0.6
83.01284	14.0
83.04933	0.8
85.02843	27.2
86.03196	0.8
87.00776	3.7
88.98711	0.7
89.02338	11.3
95.01296	3.9
97.02886	2.9
97.06504	0.6
99.00776	9.9
99.04430	1.2
101.02347	42.7
102.02699	1.4
103.03905	4.0
109.02914	0.7
111.04466	1.1
113.02355	21.9
114.02711	1.2
117.05484	2.6
119.03432	4.6
119.04983	0.7
121.02831	0.6
123.04454	0.8
124.00573	0.6
125.02361	6.7
127.11266	1.0
129.01886	1.0
135.04532	0.7
136.05267	3.3
137.02415	1.4
137.06007	1.7
143.03423	2.5
144.01149	0.6
145.05014	0.8
149.06012	1.3
151.07565	1.2
152.01141	0.7
159.02954	3.7
161.04501	15.5
162.04828	0.7
163.06116	3.4
163.07330	0.8
165.01920	1.5
165.05540	1.1
165.09120	2.4
179.05544	1.3
229.07243	0.8
230.21431	0.8
247.08252	2.0
289.16653	43.8
290.17078	3.5
307.10394	1.6
333.26526	1.5
341.14981	0.6
346.65860	0.6
435.22418	100.0
436.22818	12.0
451.21597	1.0
464.75632	2.1
477.14050	1.5
495.18326	1.9
495.32288	10.8
496.33731	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2742
Annotation	Ardisenone
Peak:m/z	Relative Intensity
50.40912	1.1
59.01255	6.2
70.14364	2.8
70.14772	4.0
78.77829	1.3
78.95795	45.6
90.68758	1.2
96.96867	4.5
118.98631	1.1
137.61525	1.1
143.49136	1.2
152.99527	69.5
153.99944	1.5
171.00594	20.3
202.51268	1.2
227.03316	3.2
245.04344	100.0
245.60565	1.2
246.04619	3.2
267.23337	64.3
268.23743	6.2
421.40619	1.2
451.33685	1.8
495.27402	63.2
495.33090	2.8
496.27701	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	494.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38787	0.2
53.86194	0.2
57.03339	0.6
58.53484	0.2
59.01265	3.6
60.01625	0.2
60.28813	0.2
61.98717	100.0
69.56036	1.5
71.01281	1.9
72.99217	0.4
73.02834	0.5
75.00764	1.5
83.01291	0.4
85.02859	0.8
85.06483	0.2
87.00776	0.5
89.02330	1.5
89.20787	0.2
93.03342	0.2
98.19748	0.2
99.00797	0.5
99.75114	0.2
101.02345	1.2
113.02373	0.7
119.03440	0.7
119.04948	0.6
121.02921	0.2
123.04565	0.2
125.02372	2.1
126.02732	0.6
128.03394	0.2
128.29030	0.2
133.02940	0.2
145.34509	0.2
151.03978	0.4
161.04567	0.5
169.05101	0.3
194.00964	0.2
200.50362	0.2
241.07309	0.2
253.08847	0.6
268.03833	0.3
269.04446	1.7
270.04794	2.0
271.05084	2.1
271.19144	0.3
272.05484	1.3
297.07831	0.8
404.10760	0.2
413.28922	0.3
433.10535	0.3
433.24554	0.4
434.10623	1.2
434.24796	0.4
476.24496	0.4
493.30316	1.8
494.13751	1.0
494.24640	0.2
494.30734	0.8
495.25528	0.2
495.32196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47287	1.1
57.03340	14.4
59.01276	7.8
61.98716	100.0
62.20445	1.3
71.01273	5.7
72.99215	1.2
73.02844	1.4
79.13561	1.1
84.52909	1.1
85.02846	1.1
86.31133	1.0
87.00737	1.3
88.00278	1.3
89.02341	2.8
97.02869	1.1
98.20557	3.6
99.04417	15.9
101.02342	5.9
113.02335	1.8
125.02367	27.5
143.03477	1.1
161.04533	2.6
203.05618	1.4
218.84276	1.1
260.39542	1.1
287.08115	1.2
329.08710	2.0
431.11899	5.5
468.79510	1.2
497.32156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.4
61.98718	38.4
65.00221	0.4
65.23405	0.3
68.99686	0.3
71.01275	1.8
71.51848	0.4
72.99207	0.5
73.02839	0.5
75.00763	2.1
75.87442	0.3
77.03852	1.2
79.01799	0.9
83.01285	0.6
85.02844	0.8
87.00790	0.4
88.51331	0.3
89.02340	1.5
93.03371	2.5
95.01300	0.6
95.50636	0.3
97.02853	0.7
99.00787	0.4
101.02324	0.8
101.05984	0.4
105.03355	1.0
107.01309	0.9
107.04893	0.3
108.02069	0.8
109.02853	2.4
111.00816	0.5
113.02357	1.0
117.03372	7.9
118.03675	0.3
119.03445	0.7
119.04934	1.4
121.02873	2.5
123.00780	0.5
123.04414	0.6
125.02388	1.6
133.02904	1.0
135.00838	0.4
135.04443	2.3
137.02347	1.2
139.03976	0.5
145.02902	0.6
147.04477	1.2
149.02368	2.8
151.00296	0.8
151.03947	1.2
152.01085	0.9
153.01854	1.1
159.04498	2.1
161.02383	4.3
161.04451	0.5
163.00278	0.4
163.03964	4.6
165.01877	1.3
166.02791	0.3
167.03455	0.6
169.01408	0.4
169.05046	0.6
169.06488	0.4
173.02402	0.7
175.03961	0.6
177.01833	0.5
178.99844	0.8
179.03484	0.7
179.05569	0.5
181.01378	0.6
182.03668	0.5
183.04460	0.4
186.85509	0.3
187.04016	0.3
189.01942	0.5
191.03435	1.8
193.01398	1.2
196.05272	0.4
197.00858	0.7
197.04330	0.3
197.06058	0.8
203.03522	1.3
205.01387	0.5
205.05069	0.4
211.07663	0.8
213.01804	0.3
213.05511	0.4
215.07133	0.6
219.02982	0.3
221.01024	0.3
224.04799	0.5
225.05466	0.6
227.03398	0.5
229.13461	1.0
239.07112	1.6
241.05138	0.6
243.06564	0.6
264.99771	0.4
267.06696	0.3
268.03879	2.7
269.04581	2.9
273.12527	0.9
281.04559	3.1
282.05304	1.6
283.06183	47.2
284.06516	4.7
293.04556	2.3
295.06207	1.2
309.04175	0.7
311.05676	86.5
312.06039	8.5
314.04498	0.6
317.05212	0.4
323.05649	3.7
341.06757	8.1
342.07114	0.4
353.06656	0.7
431.09915	100.0
432.10263	13.2
433.24387	0.5
434.25278	0.3
493.30179	1.9
494.13342	0.8
494.30249	1.1
495.11777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36665	0.9
55.01767	1.6
57.03329	4.1
58.00477	1.9
59.01264	100.0
60.01580	1.2
61.98710	5.6
69.03333	1.1
70.81319	2.0
70.81660	1.9
71.01271	56.0
72.99210	7.1
73.02837	9.2
75.00747	2.8
83.01272	6.6
85.02838	14.7
87.00764	4.9
87.04417	1.8
87.58232	1.1
89.02338	36.8
93.03318	1.3
94.02994	1.1
95.01287	4.7
97.02866	1.2
99.00763	2.9
99.04404	1.4
101.02348	34.8
102.02705	1.4
108.02101	2.1
109.02863	1.8
113.02351	19.0
119.03407	16.5
119.04863	1.6
125.02345	4.0
131.03407	1.9
137.02336	1.9
143.03423	4.4
149.02353	1.5
149.05984	1.0
151.00330	2.5
151.03905	1.5
152.01099	1.6
159.02916	1.9
161.04492	9.4
169.84973	1.1
179.05569	14.0
199.13390	1.2
243.33130	0.9
249.03915	1.1
271.19199	6.6
287.05548	1.1
306.29025	1.0
313.03769	1.0
313.07294	2.0
314.07520	1.5
331.04544	1.7
331.24731	1.8
375.27713	1.5
415.23251	1.0
433.24493	86.5
434.24850	12.2
493.11911	2.1
493.23294	2.4
493.30109	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	493.1728
Annotation	Arborside B
Peak:m/z	Relative Intensity
50.14466	0.4
55.01772	5.6
57.03341	6.0
58.00480	2.0
59.01267	42.3
60.01608	0.7
61.98713	1.6
67.01766	0.7
69.03348	4.1
69.93987	2.1
71.01271	100.0
71.04900	0.6
72.01609	1.9
72.99197	4.2
73.02836	38.5
74.03172	0.9
75.00767	4.8
79.47570	0.5
81.03351	1.6
83.01280	14.5
84.02046	0.7
85.02843	44.8
86.00031	0.5
86.03188	0.8
87.00766	5.1
88.26397	0.4
89.02339	22.6
93.03353	2.2
95.01283	6.6
96.55818	0.4
97.02847	8.0
99.00780	23.8
99.04417	1.3
101.02348	68.6
102.02686	2.2
107.04902	0.5
109.02891	2.8
111.00797	2.1
113.02358	35.3
114.02717	1.1
115.03920	3.9
119.03425	1.2
119.04919	1.1
121.02809	0.5
122.03686	0.5
123.00758	0.9
123.04443	3.4
125.02374	15.0
126.02749	0.5
129.01862	2.0
131.03430	5.4
135.04468	1.2
136.05229	1.1
137.02382	5.1
137.05980	0.9
143.03416	6.0
147.04404	1.0
148.05226	2.2
149.02466	0.9
149.04482	3.9
149.05730	1.0
150.03152	1.3
151.03955	19.6
152.04303	0.8
159.02945	8.5
161.04501	57.6
162.04857	1.6
163.03947	1.7
165.01799	0.6
165.05502	0.8
165.09157	0.7
167.07089	1.1
191.05586	3.3
193.08669	5.8
194.09038	0.6
205.03485	2.9
205.07411	0.5
215.05649	0.9
233.06650	12.3
234.06973	0.5
253.09457	0.6
286.08508	0.7
293.08841	6.6
307.49753	0.4
313.11069	0.5
331.11954	31.8
331.24881	0.7
332.12137	3.4
361.13000	54.6
362.13290	5.2
405.11255	0.5
433.28848	0.8
449.32788	3.7
451.29150	0.5
492.73343	3.8
493.17276	98.8
493.30197	11.2
493.73187	0.8
494.17639	13.6
494.31360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09581	0.3
55.01768	0.8
57.03334	5.7
58.00481	2.2
59.01265	100.0
60.01590	1.3
61.98717	12.2
69.03340	0.5
71.01269	47.4
71.23134	0.9
71.23473	0.3
72.01607	0.6
72.99194	3.6
73.02837	2.3
75.00759	2.4
76.96913	0.4
80.48498	0.3
81.03345	0.9
83.01276	3.3
85.02843	7.1
85.97011	0.3
87.00776	4.3
87.04393	0.5
87.30923	0.3
89.02338	70.2
90.02678	1.3
93.03356	0.5
95.01281	3.0
97.02884	0.6
99.00784	1.0
99.04429	0.5
101.02343	26.1
107.03383	0.5
108.02049	0.5
109.02872	0.5
113.02356	23.4
114.02674	0.7
116.92769	0.7
117.01930	0.4
119.03415	28.7
120.03776	0.4
120.95905	0.7
123.04433	0.6
125.02368	32.3
126.02724	1.1
128.88034	0.4
131.03436	4.4
132.92633	0.3
135.04440	0.5
137.02364	0.8
138.34639	0.3
139.11182	0.5
143.02362	0.6
143.03441	7.9
147.04445	0.5
147.48865	0.3
149.04498	3.7
151.00307	0.8
151.03935	1.1
152.01064	0.7
153.01926	0.6
161.02370	1.4
161.04509	11.3
161.05844	0.9
165.01866	0.7
165.05656	0.4
169.05086	0.8
175.02432	0.5
175.03940	1.0
177.05545	0.5
179.05576	44.9
180.05917	1.4
187.03925	1.0
205.05006	4.4
241.07109	0.6
269.04495	1.6
270.04855	1.7
271.05417	1.4
271.09229	0.4
313.07019	0.5
331.04825	0.5
331.08301	1.7
331.11948	0.7
361.18680	0.5
403.10031	0.5
433.10431	1.4
433.24475	7.8
434.24927	0.8
493.13528	12.8
493.20145	0.7
493.23840	0.8
493.30005	4.1
494.13528	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	491.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69983	0.1
55.01767	0.3
56.45636	0.1
56.45921	0.1
57.03328	0.1
58.00485	0.2
59.01265	3.7
66.37291	0.1
71.01270	3.5
71.51952	0.1
72.01610	0.1
72.99190	0.3
73.02837	0.9
75.00785	0.1
75.95811	0.1
78.95808	0.2
80.31965	0.1
81.03371	0.1
83.01267	0.4
83.04932	0.1
85.02850	0.8
87.00762	0.4
89.02338	2.7
91.03902	0.2
95.01281	0.3
97.02863	0.2
99.00774	0.2
101.02349	3.5
103.03899	0.2
111.04478	0.1
113.02362	1.7
115.03883	0.1
119.03429	1.0
125.02375	0.1
129.01891	0.1
129.75407	0.1
131.03413	0.1
133.05043	0.3
143.03418	0.3
149.04544	0.1
152.99496	0.2
157.05003	0.2
161.04500	1.2
171.00574	0.1
179.05585	0.3
198.51370	0.1
221.79778	0.1
235.08269	1.7
236.08624	0.1
237.22246	0.1
245.01785	0.1
253.09340	12.5
254.09659	0.6
255.23332	100.0
256.23672	8.6
279.23392	0.2
343.57117	0.1
368.48438	0.1
447.30960	0.1
491.29507	0.4
492.30475	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	491.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93312	0.2
55.01778	0.5
56.68439	0.2
57.03342	0.6
58.00481	0.3
58.07468	0.2
59.01264	100.0
60.01601	1.2
61.98717	0.8
69.03335	0.5
69.62407	1.2
69.62828	0.4
71.01271	7.2
72.01608	0.2
72.62121	0.2
72.99229	0.5
73.02836	2.9
75.00772	0.6
79.57103	0.2
83.01273	1.5
83.04903	0.3
85.02840	2.9
87.00796	0.8
89.02338	2.7
93.00128	0.2
93.16479	0.2
95.01299	0.6
97.02848	0.4
99.00800	0.7
99.04422	0.4
101.02344	6.1
103.01192	0.2
103.03922	0.8
108.02056	0.4
109.02895	0.4
113.02351	2.8
116.92797	0.3
119.03414	1.2
121.02865	0.4
123.04496	0.3
125.02334	1.6
131.03453	0.6
135.04443	0.9
137.02361	0.5
139.03986	0.2
143.03479	0.3
144.48296	0.2
147.04387	0.4
149.02376	0.5
149.06047	0.2
151.00314	0.5
151.03970	0.3
152.01129	0.3
153.46826	0.2
159.02975	0.3
161.02455	0.5
161.04482	2.1
163.03949	0.3
163.06104	1.6
165.12813	0.5
167.03476	0.3
177.01950	0.3
179.03471	0.2
179.05617	0.3
181.05099	0.4
191.03497	0.2
205.07266	0.5
207.03003	0.4
222.05417	0.3
265.09558	0.2
299.05515	0.2
329.06924	0.2
329.10400	0.9
329.23618	0.3
345.19266	3.0
346.19714	0.3
371.20743	2.3
373.26117	1.1
389.21820	3.3
390.22540	0.4
431.22665	2.6
432.23126	0.3
491.15768	0.8
491.25568	2.9
491.31924	0.5
492.16388	0.6
492.24844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88879	0.2
53.03328	0.3
54.17062	0.3
57.03333	0.6
58.00485	0.5
59.01265	100.0
60.01596	1.0
61.98713	0.7
65.69151	0.3
69.03373	0.4
70.94450	0.8
71.01270	13.5
71.04916	0.2
72.99209	1.1
73.02837	10.0
75.00784	0.8
81.03388	0.4
83.01281	3.8
83.04931	0.3
84.21806	0.3
85.02844	2.3
87.00787	1.0
89.02334	6.4
93.03375	1.0
95.01333	0.5
95.14069	0.3
97.02842	0.4
99.00799	0.6
99.04463	0.8
101.02346	16.7
102.02708	0.3
108.02093	0.8
109.02896	0.8
109.06480	0.2
111.08103	0.7
113.02355	7.0
114.02698	0.3
115.03889	0.4
119.03407	3.4
119.04913	0.3
120.49486	0.3
121.02865	0.6
125.02342	1.4
131.03432	1.3
133.02924	0.3
134.03610	0.3
135.04469	1.2
137.02368	1.6
143.03447	2.0
143.95058	0.3
149.02428	0.3
149.04498	3.6
150.03304	0.3
151.03954	0.7
152.01123	0.9
152.29384	0.3
153.01787	0.5
153.09151	3.6
153.10268	0.3
155.03514	0.3
160.01675	0.4
161.02419	0.9
161.04498	6.9
161.05849	0.4
165.01854	0.4
175.03883	0.5
177.11679	0.3
179.03775	0.3
179.05536	0.6
187.04082	0.3
187.06073	0.3
203.05653	1.1
209.15453	4.1
210.15860	0.3
221.06642	2.0
227.16670	0.7
253.05406	0.3
268.03983	0.3
268.07553	0.4
269.04547	0.4
283.13635	0.9
285.04434	0.6
287.05176	0.5
287.09161	1.8
287.15280	0.4
296.07156	0.7
301.14810	0.8
307.53668	0.4
311.05832	0.5
311.09363	3.2
313.03714	0.6
315.05313	1.0
327.16214	0.6
328.06018	0.6
329.06903	0.6
329.14233	0.3
371.16916	0.4
371.21045	1.2
389.22000	0.8
393.18091	0.4
397.21475	0.5
401.08826	2.7
402.09390	0.3
415.22546	0.3
431.22955	7.3
432.23337	0.7
459.25220	0.6
491.11639	1.8
491.22968	1.7
491.29233	2.9
492.29221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54031	3.7
53.30771	4.3
59.01261	30.9
60.21761	3.8
61.98704	9.0
70.99765	9.7
71.01265	5.3
75.92059	4.1
95.52757	4.2
101.02363	4.9
101.19406	4.3
121.02874	4.9
121.10123	10.8
171.10194	19.7
197.02089	5.4
200.70587	4.1
209.06161	4.1
218.09595	3.8
275.20212	41.2
293.18094	6.6
293.21307	100.0
294.21506	9.5
491.17029	9.6
491.24271	9.9
491.33630	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	491.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09951	0.4
55.90546	0.5
59.01267	8.5
59.57452	0.4
61.98729	0.6
65.77120	0.4
71.01266	4.0
71.39099	0.9
72.99194	1.1
81.03364	0.4
85.02832	1.2
89.02336	2.4
101.02360	1.3
102.57690	0.4
110.65633	0.4
113.02351	1.5
119.03452	0.9
122.03590	0.4
131.04936	0.7
145.02859	0.8
146.03694	0.6
147.04420	0.8
162.60550	0.4
171.08147	0.9
173.02411	0.9
174.03157	1.2
175.07561	0.7
183.08047	0.6
184.05206	0.6
185.02510	0.4
185.06015	0.8
187.07545	0.6
189.09175	0.6
198.06839	1.3
199.07626	7.5
200.04720	0.7
200.08147	0.5
201.05777	0.4
201.09212	5.4
202.09439	0.5
203.07104	1.2
209.06041	0.8
211.03964	4.0
212.04735	1.8
213.05424	0.5
215.07120	0.6
217.08583	0.6
226.06380	1.3
227.07146	31.8
228.07585	3.2
229.08769	2.8
235.09750	0.7
241.08754	1.4
242.09465	1.9
243.10229	0.9
255.06595	0.7
261.07745	1.7
268.14755	0.9
270.16360	1.6
285.18622	2.3
296.14240	29.1
297.14615	2.8
311.16592	100.0
312.16968	11.4
327.19556	0.9
329.17648	16.6
330.18066	1.9
333.86703	0.5
353.17712	6.0
354.18201	0.7
364.09668	0.6
371.18811	3.1
375.09109	0.5
376.10034	0.6
394.10663	1.5
401.19730	0.5
419.11456	9.2
420.11707	1.4
422.33316	0.5
431.20792	2.1
447.14545	1.8
447.35010	0.6
448.15543	1.0
473.25854	0.5
491.16989	6.4
491.23105	10.8
491.34082	5.2
492.17401	1.0
492.23450	1.6
506.16879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50780	1.3
51.83947	1.3
53.97459	1.2
57.03328	4.1
58.00503	1.6
59.01266	100.0
71.01266	25.2
71.56210	1.9
73.02835	25.3
75.00774	2.5
77.23673	1.5
83.01282	7.6
83.45361	1.3
85.02826	5.6
86.02314	1.5
87.00784	2.0
88.73058	1.6
89.02334	10.0
101.02356	24.1
103.94452	1.4
111.00837	2.4
113.02357	9.1
119.03394	3.4
119.58546	1.6
125.02370	2.7
125.06021	1.5
131.03452	1.6
138.01889	2.4
139.00314	2.5
143.03432	1.4
149.04448	3.6
153.05539	1.9
156.48309	1.4
160.71432	1.2
161.04498	5.5
179.05515	1.8
189.96516	1.5
217.25816	1.6
235.70358	1.8
269.04669	2.1
447.22211	6.7
491.11856	2.4
492.11005	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	491.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01795	0.4
56.18108	0.2
59.01267	3.6
59.42728	0.3
65.40716	0.3
69.03328	0.6
69.26078	2.6
69.26467	0.4
71.01266	5.0
72.99200	1.2
73.02837	4.3
73.03206	0.5
75.00764	1.4
78.95785	1.8
83.01270	0.5
85.02843	1.1
87.00772	2.4
89.02340	19.0
96.96863	1.7
99.00744	0.6
101.02344	0.9
103.03928	1.8
110.98466	0.3
111.00750	1.8
113.02371	1.4
115.00293	0.3
121.02835	0.3
125.02351	0.4
130.99753	0.5
131.03421	5.5
135.98344	0.3
137.02370	0.6
139.00290	2.1
139.03928	0.5
141.30647	0.3
149.04498	100.0
150.04880	2.9
160.59663	0.3
164.98291	0.8
165.01923	0.4
165.04004	1.3
165.05446	0.6
175.02475	0.6
177.41600	0.3
179.05559	0.8
182.99310	1.1
193.07198	0.5
195.06546	0.3
207.05081	0.7
447.11658	0.4
491.11334	1.8
492.11938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01266	6.1
59.22880	0.3
63.02283	0.5
65.00207	0.8
70.28645	0.6
70.29042	0.6
71.01275	1.0
73.02843	0.5
80.29578	0.3
83.01262	0.4
89.02325	0.7
90.59351	0.3
101.02349	0.6
107.01271	0.8
119.03483	0.4
125.02367	3.7
132.02090	0.8
133.02858	2.1
135.00775	0.4
135.04396	0.8
141.24461	0.3
153.01953	0.4
159.04501	0.7
161.02376	1.0
180.05788	0.8
181.06441	0.7
183.04510	0.9
196.05220	0.7
197.06075	0.7
201.05556	1.1
208.53174	0.4
211.03990	0.7
223.03951	0.7
224.04791	1.2
225.05553	1.0
239.03523	2.7
240.04222	1.1
241.05153	0.4
253.05313	0.4
267.03055	2.6
268.03830	29.0
269.04605	100.0
270.04959	9.5
283.06168	0.5
287.05649	1.3
299.08417	0.4
311.05588	2.2
327.07916	0.5
328.05936	0.4
329.06802	0.9
329.10349	0.4
357.09546	0.3
401.09171	0.9
431.09897	27.9
432.10333	3.4
447.11981	0.4
491.11606	3.8
491.28900	0.6
492.12292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.157
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
57.03336	1.4
59.01264	37.3
60.01595	0.6
60.36631	0.5
61.98720	1.8
65.00206	3.0
65.03861	1.4
71.01267	8.3
71.86079	0.5
72.99203	1.9
73.02839	2.0
75.00761	0.9
81.03340	0.9
83.01268	2.6
85.02848	3.8
87.00784	1.6
89.02334	5.2
91.05428	7.4
93.03349	2.7
98.19858	1.3
99.00800	0.7
101.02355	5.3
102.58302	0.5
107.01287	4.4
107.04912	0.5
108.02117	2.6
109.02857	24.8
110.03169	0.9
113.02354	4.6
119.03424	1.6
119.04951	1.6
121.02870	12.6
121.06512	1.5
122.03642	1.5
123.04454	1.6
125.02365	4.5
133.02866	2.1
134.03670	9.4
135.04443	100.0
136.01591	2.1
136.04762	4.5
137.05995	2.7
143.03433	0.6
147.04453	7.3
148.05252	4.0
149.02379	0.9
149.05968	1.3
151.00304	28.4
151.03964	0.6
152.00812	0.9
159.04425	0.7
160.05278	0.9
161.02376	1.9
161.04495	1.5
161.05994	1.2
163.03903	0.6
163.07590	7.5
167.03395	0.5
173.06099	0.6
175.07474	0.5
179.05560	1.3
187.03900	0.5
187.07611	0.6
195.10294	1.1
202.06096	0.5
211.07652	1.2
215.10854	0.6
226.09860	0.5
227.07178	1.1
228.07910	1.4
241.04942	0.6
243.10388	1.1
251.07317	0.7
252.07916	1.9
253.08835	1.1
255.06708	2.7
267.10349	1.7
269.04510	0.6
269.08267	1.1
269.17691	0.5
270.08951	5.1
271.09711	0.5
285.11383	54.9
286.11737	5.5
287.05685	21.7
287.08987	0.6
288.06119	1.5
295.06638	1.4
296.06955	0.7
311.09366	2.3
311.12717	0.8
329.10355	87.6
330.10736	9.3
348.23306	0.5
371.11292	2.9
371.20828	0.8
373.25961	0.9
389.21805	0.7
431.09750	0.6
431.22424	3.4
491.11642	5.1
491.16989	6.5
491.28528	3.0
492.11646	1.0
492.16254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.121
Annotation	Tricin 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.19225	0.4
55.81837	0.4
57.03330	1.0
59.01267	23.6
60.01592	1.0
61.01677	0.7
61.98702	1.0
70.99727	1.1
71.01267	3.0
72.99197	0.9
73.02834	1.3
74.43194	0.4
75.00757	1.3
83.01269	1.0
85.02840	1.4
85.65969	0.4
87.00802	0.7
89.02338	2.6
95.01321	0.5
96.95907	1.2
99.00794	0.9
99.31253	0.4
101.02350	2.5
102.41481	0.4
107.04881	0.5
109.02850	1.2
111.00845	0.4
113.02351	1.6
119.03405	0.6
121.02849	1.3
125.02382	2.2
133.02885	1.3
135.04419	1.1
137.02370	0.8
143.03404	0.7
147.04376	0.6
148.01593	2.3
149.02388	1.5
151.03938	0.7
152.01077	0.7
159.14366	0.4
160.03976	0.8
161.02400	1.4
161.04552	0.7
163.00291	0.8
165.01881	0.7
166.05147	0.5
167.03474	0.8
175.03986	1.0
177.01869	2.6
179.03458	0.6
186.50198	0.4
188.01166	0.7
189.01900	1.3
190.02637	0.7
191.03462	0.6
201.01918	1.3
202.02632	1.2
205.05112	0.7
209.06084	0.4
213.05519	0.9
217.04913	0.4
225.05609	1.7
226.06351	0.9
227.03461	0.5
237.05681	0.5
241.05106	1.7
242.05713	0.7
243.06654	0.9
253.05075	1.8
254.05928	0.9
255.06480	1.3
259.06216	0.5
267.06668	0.5
269.04678	3.1
270.05295	1.4
271.06116	1.0
281.04581	1.5
282.05240	0.8
283.06210	1.7
284.03546	0.4
287.05701	1.1
296.03342	1.0
297.04166	3.8
298.04892	37.3
299.05453	6.1
300.05841	0.5
309.04086	2.4
310.04898	16.7
311.05646	14.0
312.06192	1.7
325.07214	1.1
327.05008	0.9
328.05951	49.7
329.06693	43.5
330.07101	3.4
341.06760	1.5
343.07910	0.4
343.31723	0.5
371.07678	2.7
371.20837	1.2
383.07806	2.6
389.21732	0.5
401.08853	19.4
402.09183	1.9
413.09106	0.7
431.10178	0.8
431.22958	2.4
455.09781	0.5
473.10852	1.9
490.30511	1.9
491.12076	100.0
492.12366	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	489.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.7
57.57696	0.4
59.01263	11.3
61.98732	0.8
69.03348	0.6
71.01270	4.6
72.99184	0.6
73.02817	1.1
75.00751	0.6
83.01289	0.8
83.04922	0.8
85.02843	5.1
89.02325	1.5
92.14832	0.4
93.03353	0.4
95.01274	0.6
95.04955	0.8
97.02859	0.6
97.06480	3.7
98.20603	0.6
99.00815	0.6
101.02367	2.3
101.38937	0.4
108.02089	0.8
109.02857	0.5
109.06503	0.6
111.04424	0.5
111.08112	0.4
113.02361	3.0
119.03438	0.5
123.08060	0.6
123.80717	0.4
125.02372	1.3
125.09647	0.9
127.11214	1.0
134.03635	0.4
137.02376	0.5
137.09619	0.4
149.02385	0.4
152.01073	1.1
153.01860	0.6
155.10719	0.8
155.14404	0.5
161.02422	0.4
161.04561	0.8
162.56581	0.3
163.03946	0.4
165.12746	0.9
167.10706	0.4
167.14406	0.6
171.10229	5.0
177.01796	0.4
177.12845	1.0
183.13873	3.3
185.11816	1.2
191.14365	0.7
193.12296	1.4
199.13435	0.5
209.11774	1.5
211.13383	20.6
212.13640	1.3
221.11859	3.7
225.50627	0.3
227.12866	0.9
229.14464	14.2
229.47522	0.5
230.14784	0.9
239.12854	2.5
252.04344	0.4
253.14339	0.5
267.06631	0.7
269.04636	0.7
285.04153	0.4
291.19727	3.4
309.20901	1.9
327.21826	100.0
328.22165	10.2
351.21802	1.6
369.22864	0.6
412.57172	0.4
458.25241	0.4
475.43951	0.3
489.12024	0.7
489.26968	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	489.3595
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
54.15811	0.4
58.22768	0.4
58.53568	0.4
59.01255	3.1
61.22671	0.4
62.29132	0.4
70.36310	1.3
70.36713	0.7
70.46512	0.4
78.95800	7.3
83.42339	0.5
96.96875	1.0
108.61745	0.4
109.23506	0.5
152.99535	15.0
169.89209	0.4
171.00568	0.6
191.14400	0.9
205.15948	1.5
207.17520	18.6
208.17900	1.5
209.19051	1.3
235.17038	1.1
237.18611	30.2
238.18878	2.2
251.16577	7.6
252.17046	0.7
253.18074	2.2
277.21857	2.2
279.23599	0.6
322.80371	0.5
343.10498	0.5
427.32043	0.9
431.22156	2.3
443.35468	2.1
445.16635	1.7
445.37064	1.4
471.35364	2.2
489.17886	2.5
489.36011	100.0
490.29190	0.9
490.36362	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	489.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64076	0.2
55.01762	0.3
57.03340	1.3
58.00472	0.5
59.01267	12.9
59.98158	0.2
61.98735	0.5
68.99703	0.4
69.03338	0.7
70.64426	0.6
71.01271	8.2
71.04901	0.3
72.01599	0.3
72.29833	0.2
72.99190	0.7
73.02841	2.1
75.00784	0.3
75.70503	0.2
81.03349	0.3
83.01311	1.3
83.04919	0.7
84.02077	0.2
85.02847	4.6
87.00754	0.6
89.02344	3.4
95.01301	0.5
95.04940	0.3
97.02834	0.3
97.06490	1.8
99.00771	2.2
99.04417	0.3
101.02345	4.5
101.72753	0.2
108.02088	0.7
111.08083	0.3
112.05237	0.6
113.02354	2.6
113.09587	0.2
119.03404	1.0
119.04928	0.2
121.02847	0.2
121.10178	0.4
125.02326	0.3
125.09641	1.3
126.28254	0.2
127.11227	2.3
129.01895	0.3
129.09073	0.3
137.09677	0.5
143.03403	0.3
152.01122	1.1
155.10724	7.2
155.12010	0.4
155.14365	0.7
161.04504	0.5
161.05933	0.2
163.11290	0.3
165.12733	1.2
167.14305	1.0
171.10228	10.4
172.10594	0.4
181.12294	0.6
183.13911	1.7
185.06068	0.2
185.11845	1.3
189.12840	0.2
193.12296	0.6
193.16045	0.2
197.02750	0.3
197.11803	1.2
209.11804	2.2
210.12108	0.3
211.13387	12.6
212.13727	0.8
213.14922	0.5
221.12041	1.1
223.13461	0.3
227.07144	0.3
227.12898	1.0
229.14464	34.9
230.14816	1.9
235.13422	0.3
239.12851	0.5
247.20712	0.9
253.14449	0.3
257.13962	0.8
287.22382	0.5
291.19754	5.4
292.20035	0.6
302.46866	0.2
309.15442	0.4
309.20786	4.2
311.22244	1.7
327.21841	7.9
328.22354	0.6
373.18900	0.4
391.19852	3.2
419.26559	0.2
445.31723	0.2
471.26111	0.8
489.27179	100.0
490.27521	14.1
490.34872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
58.48146	0.3
59.01264	100.0
60.01603	0.9
61.98722	0.8
71.01270	1.8
72.99206	0.3
73.02852	0.4
75.00778	0.4
78.44160	0.2
83.01295	0.4
85.02830	0.5
87.00775	0.3
89.02346	0.6
90.75974	0.2
99.00811	0.3
101.02364	0.8
108.02087	0.4
113.02395	0.6
119.03450	0.3
125.02364	0.6
135.04440	0.2
137.02386	0.3
151.00293	0.3
152.01073	0.6
153.01909	0.7
161.02411	0.2
161.04614	0.3
177.01917	0.2
181.01390	0.7
209.61472	0.2
227.03650	0.4
243.53972	0.2
255.03012	1.1
267.12448	0.2
284.03329	1.3
285.04138	1.9
286.04385	0.2
297.07819	0.9
325.07126	1.1
369.19345	0.4
387.20398	0.7
429.21167	1.7
430.22391	0.2
489.10797	2.5
489.22815	0.4
490.10828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.5
58.11701	0.2
59.01265	100.0
60.01606	1.2
61.98717	10.5
62.98406	0.3
64.68099	0.2
71.01270	4.4
71.51938	0.4
72.99208	0.5
73.02836	4.1
75.00776	0.7
83.01285	1.8
85.02845	0.9
87.00785	0.4
87.04414	0.3
89.02331	1.4
93.03342	0.4
95.01336	0.2
97.02878	0.3
99.00782	0.5
99.04424	0.4
101.02347	5.8
107.04973	0.3
108.02109	0.5
109.02897	0.3
111.00836	0.2
113.02342	2.2
117.03397	0.3
119.03442	1.0
119.05009	0.3
121.02874	3.8
123.04456	0.4
125.02394	1.0
131.03442	0.5
131.07098	0.3
135.04449	0.8
136.01585	1.8
137.02411	0.5
143.03438	0.6
147.04573	0.2
149.04538	1.0
149.09586	0.3
150.34555	0.3
151.00233	0.3
151.03972	2.8
152.01097	0.4
153.01926	0.3
159.04437	0.2
161.02443	0.5
161.04514	2.0
163.03943	0.4
163.11252	0.3
165.01872	0.2
173.06113	0.2
175.03975	0.3
177.01819	0.3
177.05620	0.3
179.03493	0.3
179.05676	0.4
191.03517	0.3
203.05676	0.6
221.06795	0.5
225.14914	1.2
267.06735	0.6
267.16110	0.3
268.07492	0.6
269.04770	0.3
283.06232	0.8
283.09991	0.6
284.03421	0.3
285.04202	0.7
295.06223	0.8
296.07028	0.3
297.07684	2.8
297.10703	0.3
309.04602	0.4
309.07913	0.8
325.07220	4.1
325.10892	0.3
326.07809	0.7
327.05243	0.4
327.08914	1.7
327.12555	4.1
328.12869	0.7
337.07147	1.1
355.08313	2.1
356.08954	0.3
367.08652	0.4
369.19373	0.3
387.20529	0.6
399.07382	1.1
427.10510	0.5
429.16858	0.3
429.21835	0.6
445.11572	0.9
445.28055	0.4
453.23615	0.5
471.09222	0.3
489.10190	6.7
489.21460	0.6
489.27148	1.9
490.11298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67781	0.2
57.63688	0.2
59.01264	100.0
60.01599	0.9
70.91042	0.4
70.91373	0.2
71.01262	0.7
73.02837	0.4
85.02835	0.2
87.00775	0.3
89.02301	0.3
101.02330	0.5
103.38353	0.2
113.02335	0.5
113.06447	0.2
133.31252	0.2
161.04555	0.2
189.12706	0.3
199.03845	0.2
230.55644	0.2
267.06702	0.2
285.04150	0.5
369.19296	0.3
387.20343	0.6
429.21591	1.0
488.30954	0.4
489.24048	0.6
489.30487	13.4
490.30594	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	489.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.8
57.52501	0.3
59.01264	100.0
60.01600	1.3
61.98716	2.2
68.35319	0.4
71.01268	2.5
71.50784	0.7
72.79597	0.4
73.02840	1.4
75.00776	0.9
83.01292	0.6
85.02840	1.1
87.00763	0.4
89.02351	1.3
95.01345	0.4
99.00780	0.9
101.02344	2.2
108.02078	0.6
108.94672	0.4
111.00822	0.5
113.02396	1.6
119.03430	0.4
119.04885	0.4
121.02890	0.5
133.09966	0.4
137.02461	0.6
139.00342	0.5
148.29276	0.3
152.01097	0.8
161.04581	0.8
176.27489	0.4
187.05988	0.5
207.13954	1.5
219.02998	1.9
219.54074	0.4
224.17564	0.3
225.05754	0.6
234.05363	2.2
249.07704	1.1
269.04538	0.8
270.05447	1.4
279.08838	2.2
282.05319	0.8
284.07062	1.1
285.04614	0.8
285.07703	4.3
297.07935	0.4
304.54984	0.4
325.07330	0.6
366.03113	0.4
429.12155	0.4
489.12006	1.5
489.26794	3.2
490.11548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76728	0.1
50.79325	0.1
57.03316	0.2
59.01265	100.0
60.01593	1.1
65.00211	0.2
69.18611	1.6
71.01291	0.6
73.02859	0.2
83.01282	0.2
85.02873	0.2
89.02354	0.4
101.02377	0.6
111.00834	0.2
113.02391	0.4
151.00394	0.4
153.01941	0.3
161.04570	0.3
181.01414	0.2
188.80142	0.1
189.12819	0.2
207.13948	0.3
282.05405	0.3
283.06107	1.2
284.03360	0.3
285.04108	1.5
371.07520	0.2
429.21597	0.3
445.11691	0.2
489.10938	0.5
489.23740	0.3
490.21973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2295
Annotation	Millewanin C
Peak:m/z	Relative Intensity
54.59854	0.2
56.47109	0.3
59.01269	2.0
59.51614	0.3
61.07620	0.3
70.01042	1.1
75.98965	0.3
76.35251	0.3
79.58550	0.3
93.03371	0.3
98.20496	0.4
109.02824	0.5
122.03687	0.3
123.04396	0.3
139.03934	0.7
142.39343	0.3
148.01579	0.5
149.02368	1.4
150.03172	2.9
160.04057	0.3
164.90288	0.3
173.06064	0.3
177.01929	0.8
187.07686	0.3
199.07623	0.6
207.25543	0.3
215.03401	0.3
227.07118	0.4
241.12154	0.3
269.11871	0.7
270.12140	0.3
284.06168	0.3
323.05634	2.5
324.05917	0.5
363.08917	0.8
365.10519	2.3
366.10983	0.8
377.10400	6.9
378.10718	1.0
379.11990	1.4
398.10049	1.5
405.13638	3.9
406.13913	0.9
407.14548	0.3
419.15155	1.6
420.15692	1.0
457.28134	0.3
489.22928	100.0
490.23267	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	489.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49371	0.6
57.03333	1.4
59.01263	23.8
61.98701	1.7
69.17453	6.3
71.01267	19.9
72.99193	2.5
73.02834	2.1
75.00748	1.1
83.01275	4.5
85.02840	3.3
87.00770	25.0
87.68632	0.6
89.02338	3.0
93.03367	0.7
95.01288	0.6
95.71975	0.5
99.00781	1.5
101.02347	4.6
111.00786	4.8
113.02375	4.0
115.00285	51.4
116.00603	1.0
117.03334	1.1
119.03392	0.8
121.02882	0.7
122.32273	0.6
125.02376	1.2
127.00284	1.7
133.02899	1.3
135.04485	0.9
139.00302	15.4
146.06056	0.9
147.00754	0.8
147.04478	1.0
149.02383	3.4
151.03889	0.6
153.01794	0.7
157.01373	26.7
158.01689	1.0
161.02438	1.2
161.04465	1.2
163.03928	1.6
164.04726	3.7
165.05524	0.8
167.03441	0.9
173.99095	0.6
174.05589	0.9
175.00378	4.6
175.02437	100.0
176.00980	0.5
176.02742	2.9
177.01923	1.8
179.07112	1.2
190.02679	15.9
191.03419	1.5
205.05043	22.4
206.05472	1.3
207.03120	0.9
207.05141	1.0
209.04483	0.6
210.24094	0.7
223.06091	7.9
226.12343	3.3
227.11702	0.6
235.02719	0.8
240.09074	0.9
241.07440	1.5
253.05070	0.9
259.86508	0.6
265.07303	1.3
269.04587	0.8
269.12961	13.1
270.13333	1.3
281.04623	2.1
283.06107	0.8
298.04971	3.1
299.05545	0.7
299.14099	1.3
311.05786	0.8
313.07220	0.6
313.07855	0.7
313.12018	10.3
314.12363	1.4
326.04309	0.8
327.05081	1.1
327.08786	1.0
327.13336	1.0
339.05167	0.7
341.11246	0.8
343.08722	1.1
343.13043	3.0
350.66086	0.6
353.06796	1.0
362.98804	0.7
365.15137	0.7
369.06299	2.7
371.07886	1.5
371.12411	6.1
372.12799	1.0
373.14420	1.4
385.14020	0.7
391.13156	1.0
399.07309	2.1
399.15945	0.9
409.14053	8.0
410.14340	1.2
427.15167	9.9
428.15576	1.4
429.08270	0.7
429.13177	3.5
441.13162	0.8
444.16235	0.7
445.11594	1.0
453.13617	1.3
471.14383	1.4
472.15125	0.7
489.10300	11.9
489.16284	19.0
490.10654	1.9
490.16602	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	488.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53517	0.8
57.03331	1.1
58.05987	0.8
59.01264	54.2
61.98709	2.9
65.00216	2.0
65.99746	2.3
71.01269	6.1
72.99158	1.1
73.02834	2.2
79.14362	0.8
81.03350	3.1
83.01283	7.9
85.02834	2.5
87.00790	1.5
89.02339	3.5
93.03357	3.6
95.01283	3.8
95.04955	1.5
97.02851	3.2
98.20660	1.8
99.00753	1.2
99.04427	1.0
101.02351	5.7
104.04946	1.3
104.92908	0.9
107.01297	3.5
107.04941	1.1
108.02081	1.3
109.02862	4.4
113.02353	2.4
117.03369	7.9
118.02895	3.2
119.04919	1.8
121.02856	5.5
122.02393	10.6
123.00747	1.6
123.04450	6.4
125.02370	11.4
132.04448	1.1
133.02876	5.1
134.02371	1.7
135.00826	1.2
135.04449	5.4
136.01610	1.3
136.03941	1.3
137.02356	8.8
138.03123	4.2
139.03967	1.2
145.02866	1.3
147.03242	1.0
147.04417	1.9
148.03926	2.0
149.02357	6.6
151.00293	5.1
151.03938	10.7
152.00909	1.4
152.04277	1.3
153.01852	3.1
156.04498	2.3
160.03987	3.0
161.02411	5.3
161.04453	1.4
162.01912	5.7
162.05519	1.5
163.00304	4.3
163.02660	5.5
163.03983	2.8
163.06003	1.2
164.01097	1.2
164.03435	2.2
165.01895	9.6
166.00827	0.8
166.01344	1.1
166.02654	9.5
167.03473	8.0
173.02362	1.8
174.05589	1.7
175.04021	2.8
176.03482	8.6
177.01906	3.7
178.05089	2.0
178.99782	1.5
179.03465	19.1
181.01419	1.7
187.03952	1.1
188.03468	2.9
189.01894	2.1
189.05493	1.3
189.13017	1.1
191.03497	4.4
193.01387	7.6
194.02017	1.8
197.04504	2.0
197.06140	1.2
203.03447	1.7
205.01402	2.5
206.02560	2.0
206.04564	38.3
207.03018	2.3
207.04945	2.5
209.06215	1.3
211.04134	1.1
211.07671	1.1
213.05540	1.5
214.05087	1.0
216.06683	1.8
217.01456	1.2
217.04865	1.1
218.04617	2.3
219.02940	1.6
221.01048	1.5
223.02425	1.1
225.05606	1.3
227.07263	1.9
229.05107	1.0
235.02522	2.7
236.05629	3.0
239.07127	1.2
240.06755	1.8
241.04958	2.0
243.06581	1.5
248.05569	5.1
251.07179	1.3
253.05191	2.5
255.03116	1.4
255.06712	2.3
257.04553	3.0
258.07700	1.4
267.06900	1.7
269.04483	4.8
271.06104	4.2
279.02890	1.2
281.04630	7.1
282.05313	8.3
283.06168	20.0
284.03235	3.6
284.05936	4.5
285.04099	8.0
295.02963	1.3
295.06100	6.9
297.04047	13.2
298.04483	4.9
298.07492	2.4
299.05618	8.4
300.05911	1.9
308.05450	1.4
309.03906	1.9
310.04654	1.5
311.05695	34.0
312.06018	2.4
313.07239	4.0
314.04327	1.7
315.05096	1.3
320.05716	2.0
321.06476	1.2
322.07321	3.3
323.05536	6.7
324.08865	1.1
325.07129	2.1
326.09024	43.5
327.05170	34.8
327.09033	3.3
328.05731	3.4
329.06802	2.5
332.05377	1.5
339.05273	3.3
340.08435	13.2
341.06573	10.9
342.07263	1.2
350.06708	14.0
351.06909	2.8
353.06833	3.0
357.06219	17.1
358.06616	2.0
362.06522	1.2
368.07816	88.3
369.08237	8.0
370.09506	5.9
371.07843	1.7
380.07764	7.2
398.08871	34.9
398.14105	1.9
399.09012	4.3
410.09088	1.1
429.08560	1.5
429.21667	1.2
429.77267	1.1
431.09860	23.6
432.10172	2.3
447.09518	8.7
448.10141	1.5
470.11041	14.0
471.11307	1.7
488.12085	100.0
489.12476	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3438
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01261	2.0
61.98715	0.7
71.01262	0.5
71.04910	1.1
75.00797	0.4
83.04917	0.5
87.00822	0.6
116.74969	0.4
156.92679	0.4
162.56606	0.4
162.83865	2.0
164.83571	3.0
183.10793	0.4
334.16425	0.5
341.25381	0.4
357.28125	0.8
405.31744	0.6
407.33383	1.7
415.32690	0.5
423.32898	0.7
425.34308	1.1
427.32272	1.4
443.35672	0.6
468.11642	0.4
469.33405	12.7
470.33801	1.5
487.34488	100.0
488.34860	16.4
488.41885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3441
Annotation	22beta-Hydroxystellatogenin
Peak:m/z	Relative Intensity
57.03213	1.9
57.03524	1.2
59.01173	1.0
59.01419	0.7
60.99097	0.7
61.05041	0.5
69.30773	5.7
71.04757	0.7
81.03216	0.6
81.58341	0.6
97.06326	2.3
98.19840	1.4
112.03702	0.5
153.35866	0.6
191.14232	0.8
195.69531	0.6
205.60442	0.6
241.75571	0.6
303.48404	0.6
385.31271	4.1
389.28671	1.1
391.30209	1.9
405.31696	3.7
407.33344	5.5
408.33304	1.1
409.31204	1.6
423.32956	1.2
425.34534	1.3
427.32040	1.1
429.30106	0.8
437.30508	0.6
439.32004	0.7
441.33798	12.9
442.34204	3.0
443.35672	1.1
449.30719	1.2
451.32257	13.3
452.32809	2.3
453.33850	75.8
454.34158	11.4
467.31946	1.4
469.33408	4.4
470.33826	0.7
487.34454	100.0
488.34744	15.4
497.32712	1.0
513.32068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3439
Annotation	Rubiyunnanol C
Peak:m/z	Relative Intensity
59.01266	4.6
60.99198	1.0
62.11526	1.0
62.56715	0.9
71.04919	1.2
74.10751	1.1
78.95802	1.9
97.06503	3.7
119.51093	0.9
191.14412	1.3
220.41945	1.1
229.56194	1.5
289.21936	1.7
304.64368	1.2
389.28708	1.3
391.30240	1.7
405.31638	3.5
407.33530	9.4
408.33450	2.2
409.31232	1.8
423.32809	2.4
425.34265	2.1
427.32492	1.4
439.32352	3.3
441.33957	11.2
442.34073	1.5
443.35794	1.5
449.30634	2.0
451.32327	16.2
452.32590	1.9
453.33862	100.0
454.34058	15.8
467.31616	2.9
469.33655	6.7
485.33023	2.2
487.34799	66.7
488.35306	10.4
497.32959	2.4
513.32092	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	487.344
Annotation	Arjunic acid
Peak:m/z	Relative Intensity
59.01273	2.1
68.64070	0.3
69.81652	1.9
79.63932	0.4
83.04872	0.4
84.24512	0.4
87.32241	0.4
137.09637	0.6
193.15959	0.6
193.90895	0.4
207.17590	0.4
247.17105	0.8
305.21307	0.5
395.33078	0.6
405.28281	1.2
407.29553	2.9
409.31216	5.6
410.31607	0.9
413.34848	0.6
415.35904	1.6
423.32791	0.9
425.34384	17.9
426.34680	3.4
443.35544	8.4
444.35828	1.0
457.33298	0.7
469.33286	1.8
487.34451	100.0
488.34775	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	487.344
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01257	1.6
61.63404	0.5
61.98710	0.7
66.93906	0.5
71.04910	1.8
71.51646	0.7
95.04926	0.8
108.14902	0.5
112.51978	0.5
127.88582	0.5
163.07564	0.9
166.43526	0.5
171.35928	0.5
187.14969	1.0
189.12825	0.5
203.14392	0.7
205.15958	0.9
216.11497	0.7
231.13887	3.3
237.18582	3.0
249.14995	8.0
252.89392	0.6
326.69266	0.6
412.30322	1.0
427.32248	4.0
443.35574	3.1
469.33438	0.9
487.34464	100.0
488.34802	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	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.1
59.01263	100.0
60.01599	1.0
61.98725	0.7
68.99710	1.4
69.03339	0.3
69.25024	1.9
69.25448	1.3
71.01264	11.5
72.99207	1.0
73.02828	3.9
75.00791	0.4
77.00457	0.3
79.43474	0.3
83.01287	1.5
83.04902	0.5
85.02843	2.6
87.00776	0.6
87.04432	0.5
89.02332	3.6
95.01276	0.5
95.21209	0.3
99.00773	5.3
99.04429	1.3
101.02344	4.2
101.06011	0.4
103.03913	0.5
109.02911	0.7
109.06561	0.5
111.04449	0.4
113.02357	3.2
113.05984	0.6
115.00271	0.4
116.92818	0.3
119.03423	1.6
119.04971	1.1
121.02877	1.3
123.04416	0.3
125.02340	1.7
131.03426	0.4
135.04428	0.4
135.08084	0.6
136.05254	0.4
137.02376	0.7
137.09691	0.5
138.06818	0.6
139.04015	0.5
139.07590	0.8
141.01781	0.4
143.03436	0.7
149.04535	0.6
149.62663	0.3
151.00316	0.8
151.07610	1.2
152.01096	0.6
152.08316	0.5
153.09157	2.0
161.02367	0.7
161.04488	2.3
163.03993	0.6
177.01927	0.5
179.05638	1.6
197.08130	0.5
205.12372	1.0
223.13635	0.4
269.04675	0.6
323.08020	0.4
337.03827	0.4
340.12491	0.3
367.17859	1.0
367.77902	0.4
385.18668	1.0
426.12387	0.4
427.19870	1.4
443.30951	0.4
469.31940	0.7
486.75089	2.4
487.12277	1.1
487.22699	0.7
487.30222	1.1
487.75421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03333	1.2
59.01265	100.0
60.01617	0.7
61.98722	1.1
68.99706	1.3
69.49070	4.2
71.01269	18.8
72.99206	1.2
73.02837	21.5
79.13889	0.5
80.71365	0.5
81.03380	0.6
83.01276	7.1
83.04938	0.9
85.02850	4.0
87.00790	3.2
87.04408	1.1
89.02339	8.9
93.03371	0.9
97.02875	0.7
98.20644	0.5
99.00793	5.1
99.04414	0.9
99.83418	0.6
101.02345	22.6
109.02885	0.7
111.04499	0.9
113.02355	8.6
114.01895	1.1
119.03419	3.9
123.08138	0.6
125.02359	2.3
131.03471	1.4
137.02415	1.5
138.22566	0.5
141.01862	0.7
143.03468	2.5
149.02411	0.8
149.04515	3.1
151.00368	1.1
151.07632	0.9
152.01109	0.7
155.03394	0.8
161.04512	7.4
161.09648	1.1
163.04005	1.0
164.04742	10.7
165.05074	0.7
173.09723	0.5
175.07635	0.6
176.08398	1.2
177.02046	0.8
179.05583	2.2
179.07076	11.1
180.07523	0.9
187.11252	8.4
189.09239	0.7
190.10019	1.8
195.70555	0.5
203.05600	0.7
203.10823	0.7
204.11493	2.0
205.12325	12.5
206.12733	1.3
215.10713	1.2
221.06767	0.9
223.13405	0.7
233.04694	0.7
233.11861	6.5
234.12221	0.9
235.67691	0.5
253.08966	0.5
259.13437	4.0
260.13892	0.6
264.56961	0.5
271.06171	0.6
277.14441	5.3
349.16534	0.7
359.31876	0.6
367.17703	1.3
387.20755	0.8
409.18781	1.2
427.19946	2.5
469.31644	0.6
487.17795	0.7
487.29483	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	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	3.0
59.01263	54.3
60.01604	0.6
67.53529	0.3
70.53956	0.7
70.54326	0.7
71.01273	7.3
73.02830	6.6
79.05418	1.5
81.03340	1.9
83.01285	1.1
83.04925	0.9
85.02828	1.7
86.75117	0.3
87.00789	0.7
89.02336	1.4
93.03345	0.6
95.01291	0.4
95.04920	5.0
97.02841	0.5
99.00799	1.0
101.02354	3.5
105.03336	0.3
107.04946	0.3
108.02081	0.4
109.06508	1.3
113.02344	1.6
119.03432	0.5
119.08566	0.5
121.06528	1.5
123.04456	1.4
123.08054	0.3
125.02361	0.6
135.08073	1.0
137.02397	0.4
137.09639	3.1
138.06822	0.8
139.07552	0.6
144.05731	0.4
149.05991	0.4
149.09644	1.4
151.03946	1.1
151.07599	1.2
151.11180	2.2
152.08339	1.9
153.09157	7.7
154.09534	0.5
159.08026	1.5
161.04512	1.6
161.09668	26.0
162.09990	1.8
163.07658	0.4
163.11320	0.6
164.04849	0.4
164.08380	4.3
165.08881	0.4
175.00322	0.5
175.03891	0.4
177.01926	0.5
177.09183	0.5
179.10741	100.0
180.11098	5.7
187.11307	2.7
189.09183	0.3
190.02710	0.8
190.09987	4.9
203.05594	0.9
205.05110	1.4
205.12337	39.6
206.12721	2.3
220.58517	0.4
223.06114	0.8
223.13402	25.3
224.13690	1.6
235.04659	0.4
265.14517	0.6
269.10373	0.8
357.56635	0.4
367.17664	3.3
383.17365	1.7
385.18619	1.0
397.09415	0.5
401.14450	0.9
413.95483	0.4
427.19739	2.9
428.20477	0.6
443.15781	1.7
451.21802	0.4
487.18741	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89669	0.7
57.03336	4.1
59.01266	60.9
61.98708	1.0
63.42794	0.9
71.01270	9.0
71.56313	1.3
71.56718	1.1
72.99178	0.9
73.02845	4.9
78.95770	0.9
79.05413	1.7
81.03365	2.2
81.27207	0.8
83.01279	1.9
83.04897	1.6
85.02843	4.4
87.00810	1.3
89.02340	3.1
93.03353	2.0
95.04903	5.3
99.00809	1.5
101.02338	3.5
101.02938	0.8
109.02853	1.8
109.06570	0.9
113.02363	3.6
121.06513	1.6
123.04445	1.8
125.02364	16.7
135.04469	1.5
135.08125	1.0
137.02376	3.1
137.09651	2.8
138.06870	1.0
138.81972	0.8
149.02390	2.1
149.09625	1.0
151.00337	1.8
151.03935	2.6
151.11211	1.9
152.08377	3.2
153.09163	5.6
159.08226	0.9
161.02336	4.7
161.04518	2.2
161.09671	27.9
162.10048	1.4
163.11240	1.5
164.04663	0.9
164.08368	6.1
175.00342	2.5
177.01917	2.7
179.10742	100.0
180.11110	5.5
187.11264	2.0
190.02664	4.2
190.09962	3.2
200.03496	2.3
203.05675	1.4
205.05049	6.1
205.12329	31.7
206.12677	2.2
215.80815	0.9
220.11011	0.8
223.06155	2.0
223.13385	15.4
224.13730	1.9
240.31413	0.8
247.13661	0.8
259.06555	0.8
285.03973	1.5
286.04361	0.9
287.05734	5.4
297.03876	0.9
298.04718	1.1
299.05179	1.7
313.03485	1.2
327.05127	1.6
328.05508	1.9
329.05692	6.9
359.06873	1.7
367.06616	1.0
367.17703	9.1
368.18042	2.0
383.17322	1.6
385.18903	1.2
427.19803	3.7
449.10367	13.4
450.11038	1.2
487.11029	4.1
487.18512	4.7
487.34445	1.5
488.12054	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	487.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58270	0.5
54.93044	0.5
55.01773	0.7
57.03330	2.4
58.00477	0.7
58.74114	0.6
59.01263	45.9
61.98721	0.6
63.02307	0.5
65.00206	4.8
68.99718	1.7
71.01269	100.0
72.01627	1.2
72.98788	0.7
72.99197	13.3
73.02835	3.8
75.00776	1.0
83.01270	5.9
85.02846	6.9
87.00778	1.8
89.02334	19.9
93.03367	0.7
95.01303	0.9
95.04936	0.5
96.95923	0.7
97.02847	0.6
97.06473	0.7
99.00778	11.7
99.04417	0.7
101.02344	12.1
103.03902	2.2
107.01298	7.4
108.02072	1.1
109.02850	1.5
113.02355	11.0
114.02729	0.7
115.00284	9.7
119.03422	9.7
122.03685	0.7
123.08062	0.5
125.02351	2.8
131.03433	1.4
135.08139	0.7
137.02435	0.7
143.03435	3.3
149.02385	1.0
149.04509	0.9
151.00307	27.1
151.07581	0.6
152.00873	1.9
152.03458	11.8
153.01880	1.2
161.04512	7.1
161.09685	1.0
169.01395	1.4
178.99841	3.4
179.05573	12.7
179.10735	4.8
181.01402	0.7
189.12833	1.0
192.00621	1.1
193.01372	1.9
202.02644	0.6
205.01390	0.8
205.12306	1.5
223.13412	0.9
235.02502	1.9
265.09555	0.6
265.14694	0.7
268.03836	0.8
269.04422	0.8
277.38199	0.6
283.06241	0.8
285.04181	0.8
311.05533	0.7
323.05569	1.0
330.29669	0.5
369.06281	2.2
371.20868	2.2
387.20209	2.6
412.08218	1.8
427.10428	5.7
441.11652	0.6
442.77057	0.5
443.26535	0.6
459.11557	12.3
460.11807	1.3
469.11472	1.9
469.20844	7.2
469.31631	0.9
470.21259	1.0
487.11996	13.9
487.22180	6.0
487.29196	1.7
488.12347	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	487.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
58.01302	0.1
59.01267	1.9
61.98716	0.2
65.03841	0.6
67.01775	0.2
69.69705	0.1
70.17654	0.7
70.30847	0.2
71.00940	0.1
71.01265	0.8
71.04934	0.2
73.02823	0.3
74.99436	0.1
75.00785	0.1
80.02597	0.2
85.02847	0.6
87.00790	0.3
87.83668	0.2
89.02322	0.3
91.05431	2.6
93.03355	0.7
95.01276	0.2
97.02852	0.9
97.44896	0.1
99.00822	0.1
99.04432	0.3
101.02359	0.6
107.04894	0.2
108.01345	0.1
108.02071	3.8
109.02862	10.1
109.06469	0.2
110.03221	0.2
113.02335	0.4
119.04958	0.3
121.02870	11.6
122.03710	0.4
123.04419	0.5
125.02389	0.3
133.02863	1.6
134.03665	4.0
135.04445	22.2
136.04773	1.0
137.06003	0.2
146.03714	0.2
147.04449	4.9
147.08080	1.5
148.05251	2.2
149.02354	0.2
149.05971	0.4
151.07607	0.3
159.04425	0.5
159.11716	0.2
160.05273	1.2
161.04587	0.4
161.06012	4.2
161.09680	0.2
163.07570	0.5
172.05252	0.2
173.06024	2.3
174.06665	0.3
174.53580	0.2
175.07619	0.5
177.09164	6.4
178.09532	0.4
183.64224	0.2
186.06845	0.4
187.07660	0.3
188.08386	0.4
189.09183	14.1
190.09500	1.1
191.07109	0.3
191.10684	0.4
197.06047	0.2
199.04071	0.2
201.09099	0.8
203.10751	19.7
204.11064	1.1
211.07738	0.3
213.05635	0.2
215.07207	0.3
215.10774	4.7
216.11519	1.2
227.03482	0.2
238.06332	0.6
239.07100	0.3
239.14551	0.2
241.05109	1.4
255.06651	0.6
255.13959	0.5
256.07431	3.6
257.07858	0.3
257.15594	0.3
263.14423	0.2
267.06473	0.2
281.15616	0.5
283.13412	0.8
297.15076	0.2
307.13370	1.0
310.12149	0.5
325.14505	100.0
326.14853	10.7
326.18893	0.3
343.28143	0.2
351.66971	0.2
487.20590	1.1
487.33667	0.7
495.70770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.5
57.03336	1.4
58.00483	0.6
58.41737	0.2
59.01264	11.1
68.99706	1.1
69.03327	0.3
70.03500	1.4
71.01269	17.2
72.01604	0.3
72.99184	0.7
73.02834	11.2
75.00761	0.5
83.01270	3.8
84.01080	0.2
85.02843	5.7
87.00769	1.5
89.02338	5.4
92.31685	0.2
95.01285	1.3
96.95916	0.4
97.02855	0.9
99.00780	24.9
99.04410	0.5
101.02346	20.2
102.02696	0.3
102.44272	0.3
104.41749	0.3
107.04926	0.3
113.02352	7.6
115.00335	0.4
119.03433	0.6
119.04946	0.3
125.02376	0.9
131.03424	1.8
135.03423	0.4
135.04453	7.8
139.07568	0.8
141.01808	0.6
143.03447	2.4
149.04424	0.3
151.00327	0.4
151.07632	0.7
159.02908	0.8
161.04507	11.2
163.03955	73.4
164.04471	4.5
175.02415	0.8
177.05510	0.3
178.06311	78.1
179.06902	5.5
191.05585	4.8
193.08675	100.0
194.08995	5.9
203.03871	0.4
203.05560	2.0
273.63013	0.3
276.07242	0.3
277.53864	0.3
293.08835	3.8
323.11606	0.3
355.14130	1.2
443.30273	0.8
473.49219	0.3
487.18320	37.4
487.28375	2.0
488.18616	4.7
488.29565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16026	1.1
57.03321	3.0
58.00475	2.7
59.01263	100.0
61.83393	1.0
61.98716	1.4
68.99690	3.1
69.03349	7.3
71.01269	86.4
71.54332	1.9
72.01603	1.1
72.99198	6.3
73.02837	16.7
75.00763	5.7
81.03353	3.9
83.01283	7.6
83.77935	1.0
85.02840	13.3
87.00766	4.2
87.04400	1.3
89.02335	82.8
93.03365	18.5
95.01282	2.8
97.02852	10.7
99.00780	24.9
99.04418	3.3
101.02349	25.3
102.56632	1.0
103.07054	1.0
107.01287	1.5
109.06490	1.4
111.00812	2.0
113.02357	14.5
115.00292	1.1
115.03916	4.9
119.03399	3.7
119.04957	1.8
121.06579	1.1
125.02370	33.8
127.03893	1.3
131.03410	14.9
133.06528	33.5
135.04456	9.9
137.02376	62.4
138.02719	1.9
139.03955	2.6
143.03407	4.6
149.04500	19.7
151.00307	10.9
151.03912	1.2
151.07610	3.0
152.01039	1.4
159.02893	1.2
161.02426	1.6
161.04517	4.8
163.03987	7.2
173.04538	1.2
178.06366	6.4
179.05571	1.9
191.05600	10.5
193.08711	7.9
197.08179	1.6
233.06644	19.1
233.11760	1.1
287.05637	4.2
293.08859	75.7
294.09241	6.6
332.75827	1.1
335.16580	1.1
357.19446	1.1
387.20331	1.3
410.87845	1.1
427.16092	7.6
449.10760	3.8
469.28079	1.5
487.12009	2.2
487.18179	2.5
487.29443	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1621
Annotation	Toonaciliatin A
Peak:m/z	Relative Intensity
55.01767	0.5
57.03318	0.8
59.01260	5.5
61.98708	0.5
67.54031	0.3
69.17982	0.4
69.18379	2.9
71.01282	1.5
72.99168	0.3
73.02833	1.3
74.40390	0.3
79.01773	0.9
79.05415	0.3
81.03324	0.3
83.01271	0.4
83.04940	0.4
85.02834	0.8
87.00779	0.4
89.02326	0.7
95.01286	0.4
95.04903	0.3
97.06482	0.5
99.00777	0.3
101.02335	0.7
107.04916	0.5
108.02055	0.6
109.02848	1.5
109.06474	0.4
111.04431	1.6
113.02333	0.7
119.04910	0.4
121.02862	1.1
122.03662	2.3
123.04408	1.1
125.02339	0.6
125.06003	0.4
129.05470	0.6
133.02878	2.7
135.04437	1.1
136.01466	0.3
137.02386	0.4
139.03937	0.4
141.06995	0.3
143.03412	0.4
145.02972	0.3
145.06476	0.3
147.04436	0.6
148.01530	0.7
149.02377	6.5
149.06009	0.5
150.03159	5.0
151.03938	1.4
151.07625	0.3
152.00958	0.3
159.04495	0.3
161.02382	1.4
161.04509	0.3
162.03149	0.3
163.03891	0.7
169.06621	0.4
175.03972	2.3
177.01904	5.4
178.02672	2.5
179.03403	0.8
185.06030	0.8
187.03958	0.3
187.07721	0.3
189.01918	0.8
189.05563	0.6
191.03453	1.3
199.07579	0.5
201.01900	3.1
203.03522	0.5
210.01762	0.4
212.04785	0.8
213.05559	4.5
213.09071	0.5
214.05879	0.4
217.04893	0.5
217.08659	1.0
223.07579	0.5
225.05609	0.4
227.07120	1.0
231.06700	1.4
239.07146	0.9
240.07924	0.8
241.05133	0.3
241.08679	0.6
243.06700	0.4
245.08218	0.4
247.06100	0.4
251.07039	0.3
253.04971	0.5
253.08861	0.3
254.05711	0.5
255.10574	0.3
261.07648	0.3
267.06592	0.8
269.08334	2.0
281.04587	0.3
283.06216	1.3
283.09525	0.3
285.07697	0.4
295.06104	0.3
296.06726	0.3
297.04083	0.7
297.07391	0.3
299.05634	0.3
301.10873	0.6
309.13409	0.6
311.05649	3.9
312.06418	10.8
313.07159	5.6
314.07455	0.4
322.61536	0.3
323.05615	1.8
324.06512	0.4
325.07175	3.5
325.14148	0.4
326.07578	0.6
335.11545	0.5
341.06662	0.6
344.05386	3.2
360.01559	0.3
365.10300	1.3
369.09909	0.6
381.09842	0.8
383.11517	1.7
395.11252	1.7
399.10764	0.7
415.10214	0.6
416.11172	0.4
417.11951	3.6
443.29767	0.4
448.10162	1.1
451.13971	0.5
469.15186	3.3
470.15466	0.4
487.16187	100.0
488.16486	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	487.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06690	1.2
53.66554	1.1
57.03327	4.1
60.29198	1.1
62.88673	1.1
69.24030	1.1
71.01272	1.2
73.02850	3.4
98.20663	2.1
101.02351	44.6
112.50998	1.2
128.46199	1.4
145.01369	100.0
146.01688	3.9
146.04552	2.5
162.36731	1.1
261.80435	1.3
356.03961	1.3
401.23953	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	487.1262
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03320	0.5
57.24039	0.2
59.01264	7.5
61.98727	0.9
62.69835	0.2
68.99694	1.0
69.03317	0.3
69.24480	1.3
69.24901	0.5
71.01272	1.8
73.02824	0.7
73.39229	0.2
74.84605	0.2
76.45108	0.2
83.01264	0.3
83.04929	0.3
85.02828	0.8
87.00774	0.5
89.02338	0.9
93.03337	0.2
95.01251	0.2
98.19810	0.3
99.00788	2.9
99.04426	0.3
99.38014	0.2
101.02370	1.0
107.95390	0.2
108.02115	0.3
109.02874	0.4
113.02341	0.6
116.55859	0.2
119.03390	0.2
125.02366	0.2
131.01321	0.4
132.02103	1.9
135.04445	0.3
136.01590	0.2
137.02357	0.3
137.05995	0.2
143.03401	0.2
149.02431	0.5
151.03987	0.2
151.07518	0.3
156.05750	0.2
161.04504	0.5
163.03876	0.5
164.23952	0.2
167.04965	0.8
171.04507	0.3
175.00305	1.3
178.06300	0.4
179.10707	0.2
183.04543	0.4
184.05266	0.7
193.08748	0.5
195.04468	1.6
196.05322	1.1
211.04074	0.9
212.04793	3.2
223.04021	2.4
224.04785	9.2
225.05119	0.6
227.03502	0.6
239.03499	4.3
239.07243	0.5
240.04248	3.3
241.04745	0.2
247.80167	0.2
251.03508	0.8
255.06573	0.2
256.03799	2.0
267.03055	3.1
268.03821	30.5
269.04306	2.5
282.05347	0.5
283.06180	100.0
284.06509	8.1
284.09735	0.3
310.04865	0.3
312.06766	0.2
313.07394	0.3
470.20691	0.3
487.12579	3.5
487.25769	0.4
487.35001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
58.22173	0.2
59.01262	4.4
61.91248	0.2
61.98716	100.0
62.88243	0.2
62.98419	0.3
71.01271	2.5
71.56714	0.4
72.99213	0.4
73.02834	0.9
75.00731	0.2
83.01271	0.6
85.02859	0.8
87.00791	0.3
89.02332	1.6
99.00772	0.5
101.02349	1.4
110.02441	0.3
111.00810	0.3
113.02380	0.9
125.02405	0.9
131.03481	0.3
151.03801	0.3
151.07584	0.3
163.03961	0.5
166.89598	0.3
171.80704	0.2
174.04485	0.2
185.61415	0.2
191.05615	0.3
193.08679	0.7
199.00700	0.2
231.42451	0.3
233.06799	0.9
271.06293	0.3
293.09006	0.9
323.09216	0.4
324.09830	0.6
401.40112	0.2
423.08383	0.3
425.22894	0.3
426.23419	0.8
485.31229	0.4
485.73804	0.7
486.31589	1.5
487.16202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3649
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
59.01264	2.7
59.88034	0.6
60.99190	0.7
63.76257	0.7
71.04905	1.5
71.58337	1.1
72.99213	0.7
75.16338	0.6
78.95789	1.6
81.13616	0.7
87.60935	0.6
97.06483	6.3
127.24417	0.7
152.99496	1.2
169.66354	0.7
177.01884	2.0
255.23305	8.1
256.23700	6.6
257.23981	8.8
268.26944	0.8
286.51990	0.8
293.21167	0.9
297.27844	0.9
345.27948	1.2
357.30222	3.2
374.26077	1.0
389.28397	1.9
391.30289	5.5
392.30627	1.1
405.31754	8.2
406.31918	1.3
407.33386	9.3
408.33640	1.4
423.29062	0.9
437.30695	1.3
439.32593	3.1
441.33890	15.7
442.34033	2.7
449.30670	0.8
451.32281	38.5
452.32770	5.9
453.33847	100.0
454.28177	1.3
454.34171	14.9
467.31723	0.8
471.34912	2.5
485.27643	1.6
485.32706	7.9
485.36499	16.4
486.32843	2.6
486.37909	1.5
497.32803	9.1
498.33170	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3284
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.86906	0.4
52.21774	0.4
59.01260	1.3
61.98697	0.4
69.41229	2.6
71.01270	0.7
76.79604	0.3
83.04894	0.9
98.20571	0.7
133.05281	0.4
167.37164	0.3
185.64943	0.4
188.26877	0.4
191.14247	0.5
203.14522	0.6
233.15491	7.4
234.15714	0.4
251.16570	0.9
253.18156	1.8
277.21793	4.1
285.81354	0.4
291.23404	0.6
295.22812	0.7
319.22778	0.4
323.74054	0.4
395.33368	0.7
397.31015	0.5
413.34116	0.5
423.32932	0.5
425.30569	0.8
441.33878	2.6
442.34598	0.4
467.31854	0.8
485.32861	100.0
486.33215	15.7
486.38797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3282
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
59.01258	2.2
70.69099	0.5
71.04909	0.5
71.58465	0.6
71.58849	0.7
73.02842	0.6
84.36685	0.5
86.64451	0.5
87.00697	0.5
97.06469	1.0
124.03032	0.5
177.01884	1.3
205.16016	0.7
233.15436	6.0
253.18211	1.7
308.51328	0.5
344.15518	0.6
423.32925	0.8
441.33704	1.7
467.31461	0.6
485.32892	100.0
486.33212	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	485.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.0
57.01727	1.8
57.03329	3.9
59.01260	31.9
61.14066	1.9
61.98691	2.6
69.76737	8.5
71.01268	29.2
72.99205	2.9
73.02822	4.5
81.03326	1.9
82.65058	1.7
83.01269	3.8
83.04888	1.9
84.44057	1.7
84.68327	2.0
85.02822	6.6
85.88343	1.9
87.00762	3.4
88.98698	2.6
89.02342	14.6
92.79691	2.1
93.03364	2.4
96.32207	1.8
96.95901	3.2
97.02853	4.5
97.06451	3.1
99.00765	6.4
101.02376	11.5
107.04955	3.2
108.05746	2.7
109.02859	3.0
111.04442	5.6
112.65353	1.9
113.02375	11.5
113.06013	3.6
117.03337	3.4
119.03399	3.0
119.04886	2.2
119.08569	2.5
121.06496	2.4
122.03661	2.1
123.08036	3.6
125.02320	5.2
125.03555	1.8
125.05980	6.6
131.03415	1.9
135.04384	3.0
136.05200	2.9
138.06804	8.9
139.07600	14.3
149.04568	2.2
149.06017	2.5
151.07588	27.4
152.04697	2.0
152.08379	16.1
153.09158	13.9
161.04471	4.7
161.09656	3.0
177.01860	2.6
189.05537	3.8
191.10686	5.9
201.12889	13.3
201.74066	1.8
203.03520	2.1
203.10730	3.8
204.11523	14.8
205.12296	4.4
207.03009	2.2
214.94093	1.9
219.13916	28.4
220.14293	3.2
223.13380	2.5
235.02505	7.1
237.07727	3.8
243.13939	4.7
245.11852	9.7
246.12006	2.0
263.12927	100.0
264.13315	7.2
287.12955	6.3
293.09009	3.8
305.14081	10.1
385.18686	6.5
413.84103	1.9
485.10901	7.7
485.17551	2.9
485.31702	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	485.1829
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
52.92396	0.2
57.03305	0.3
59.01263	2.3
61.98712	0.3
65.03844	0.4
67.01770	0.3
68.14027	0.2
71.01249	0.9
71.20235	0.2
83.01263	0.3
85.02830	0.7
89.03854	0.4
93.03348	0.3
98.19748	0.5
99.00735	0.4
99.04406	0.7
101.02287	0.5
107.98985	0.2
108.02075	1.6
109.02863	6.0
113.02341	0.6
119.03440	0.2
121.02869	3.5
125.09627	0.3
132.02156	0.3
133.02869	3.6
134.03636	1.0
135.04451	1.2
141.09151	0.3
145.02876	0.9
146.03638	0.8
147.04413	0.8
148.01494	0.2
149.02350	0.3
158.03699	1.1
158.48062	0.3
159.04378	0.8
161.04611	0.5
161.06024	0.8
161.10719	0.2
171.04524	0.4
172.05280	0.3
173.05980	0.4
175.03961	0.3
175.07666	1.1
177.01862	0.9
177.09157	0.7
178.02620	0.7
181.06575	0.4
183.04462	0.7
185.05966	0.5
187.07613	0.6
189.09192	1.2
195.08104	0.2
196.05220	0.4
197.06006	1.7
198.06792	0.3
199.07590	1.1
201.09207	2.1
201.10970	0.5
202.09506	0.3
208.05360	0.3
209.06068	1.4
209.11896	0.5
210.06743	0.4
211.04021	0.5
211.07533	0.6
212.04593	0.3
213.05569	0.3
213.09219	1.6
214.09720	0.3
221.05931	0.5
222.06845	0.3
223.07677	1.7
224.04802	0.5
224.08263	0.5
225.05566	2.8
226.06154	0.4
229.53273	0.3
235.07581	0.6
237.05482	0.9
239.07188	1.4
239.10899	0.4
249.05525	1.2
249.14972	1.9
250.06358	0.5
251.03534	0.4
251.07178	0.8
252.04286	0.8
253.05087	3.3
253.09389	0.4
253.12138	0.5
254.05783	2.0
256.29602	0.3
263.10828	0.5
264.04303	0.5
264.11386	0.4
265.05127	0.7
265.09027	0.3
267.06671	19.3
268.07272	3.6
278.13187	0.4
279.06744	6.6
279.10260	1.0
279.13940	0.7
280.07202	1.0
281.11829	0.5
293.08075	0.4
295.13501	0.6
296.10599	0.4
305.11960	1.0
307.09869	1.8
308.10614	3.6
321.11420	1.5
322.12161	36.8
323.12930	100.0
324.13269	12.1
438.56134	0.3
485.18277	20.9
485.34277	0.7
486.18442	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	484.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.3
59.01266	4.3
61.25135	0.2
61.98717	100.0
62.98420	0.2
71.01265	1.5
71.54402	0.2
71.91372	0.2
72.39783	0.2
72.99196	0.2
73.02840	0.6
75.00768	0.3
83.01280	0.4
83.04929	0.5
85.02855	1.0
87.00786	0.6
89.02330	0.5
95.01275	0.3
96.00793	0.2
99.00808	0.6
99.04427	0.4
101.02338	1.0
109.06497	0.3
111.01952	0.2
111.04459	0.3
112.00316	0.2
113.02364	0.7
113.06024	0.2
119.04969	0.5
123.04440	0.2
125.02342	0.4
125.06007	0.2
135.04454	0.2
135.08099	0.5
136.05225	0.2
137.02428	0.2
151.00322	0.4
151.07622	0.6
155.08208	0.5
161.04504	0.2
163.03975	0.2
171.03508	0.2
177.01865	0.5
225.05103	0.2
240.59053	0.2
319.13147	0.5
424.22174	0.3
466.18115	0.7
469.17368	0.3
469.67743	0.3
483.33713	1.3
483.72855	0.6
484.34311	2.2
485.24146	2.0
485.31647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07227	0.0
58.51315	0.1
59.01261	0.8
59.83699	0.0
63.02257	0.3
65.00179	0.4
67.01772	0.2
68.99709	0.1
71.01269	0.4
71.28361	0.1
72.99206	0.1
73.02832	0.1
83.01292	0.1
85.02842	0.2
87.00792	0.1
89.00238	0.1
89.02323	0.3
89.03865	0.9
91.01788	0.5
93.03381	0.1
95.04939	0.2
97.40621	0.1
99.04387	0.1
101.02331	0.4
103.03907	0.3
105.03378	0.1
107.01296	0.3
109.02856	0.6
113.02345	0.1
119.03419	0.1
121.02872	0.1
123.04429	0.3
125.02336	0.1
133.02888	1.5
135.00803	0.5
143.03441	0.2
145.05029	0.1
149.02394	0.3
151.00235	0.1
153.01923	0.1
161.02419	0.3
161.04486	0.1
163.06120	0.4
177.01898	100.0
178.02235	5.2
179.03564	0.1
191.03445	0.1
199.03958	0.2
205.07166	0.2
219.02983	1.2
220.03160	0.1
221.04570	0.1
247.08220	0.1
258.03818	0.1
261.03970	0.1
279.05151	0.1
279.14465	0.1
321.06155	0.1
365.08902	0.6
384.64725	0.1
425.20236	0.3
485.13089	2.0
486.13675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.0
61.98717	100.0
70.33466	2.5
78.95805	2.0
92.99235	0.8
98.19849	1.2
402.24316	1.5
421.16763	9.7
422.17062	1.6
469.28809	0.7
483.31436	1.4
484.31937	2.3
485.33530	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	484.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10843	0.1
55.05183	0.1
57.03341	0.2
59.01268	1.5
61.98718	100.0
69.70961	1.0
71.01283	0.8
72.01627	0.2
73.02842	0.3
83.01275	0.2
83.04961	0.2
85.02865	0.5
89.02362	0.4
90.02707	0.1
95.95196	0.1
98.20518	0.3
99.00796	0.2
101.02371	0.4
102.02702	0.2
113.02350	0.3
116.04940	0.2
119.03288	0.1
121.02850	0.2
122.15328	0.1
125.02392	0.4
131.03442	0.1
135.04437	0.2
137.02368	0.2
151.07602	0.3
155.76208	0.1
160.04004	0.6
161.04503	0.2
177.01912	0.4
190.02713	0.2
193.01532	0.2
206.05475	0.1
292.17889	0.2
422.21503	0.2
422.81149	0.2
423.21466	0.3
424.21713	0.7
483.33707	0.5
484.33859	0.6
485.13419	0.3
485.24429	0.7
485.31070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
57.03346	2.5
58.00468	1.3
59.01264	41.9
59.19986	0.3
60.01593	0.6
60.69234	0.3
61.98726	2.1
61.99000	0.5
69.03336	1.0
69.95667	1.6
71.01269	33.0
72.01614	0.6
72.99197	2.1
73.02442	0.7
73.02835	9.7
75.00755	0.9
81.03362	0.4
83.01279	4.8
84.38627	0.3
85.02845	13.1
85.03364	0.7
85.99973	0.4
86.03188	0.4
87.00784	1.9
89.02337	12.8
95.01281	1.6
97.02847	1.2
99.00784	3.8
101.02347	27.4
111.00799	2.2
113.02354	10.2
114.02740	0.4
115.03947	0.6
119.03384	0.7
122.03707	0.4
125.02351	3.5
129.01840	0.8
131.03432	9.4
135.07988	0.4
137.02299	0.4
143.03421	1.6
149.04514	3.6
151.07568	0.7
154.11055	0.3
155.90192	0.3
159.02930	1.5
161.02377	0.5
161.04507	5.9
189.25594	0.4
191.05598	0.6
209.11754	0.5
233.06673	1.5
287.05597	0.5
291.18198	22.8
292.18524	1.4
293.08887	0.6
423.22446	100.0
424.22806	10.3
439.26889	0.6
465.17761	0.7
465.32220	0.7
483.18451	0.5
483.33978	5.4
484.23685	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	483.274
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
52.64556	0.3
59.01254	0.4
61.97480	0.4
71.01224	0.8
78.95793	17.6
96.96869	1.5
100.68393	0.3
116.81596	0.3
150.97981	0.5
152.99529	33.4
153.99858	0.7
171.00571	1.6
178.13524	0.3
227.03284	4.3
245.04337	1.0
255.23331	100.0
256.23672	10.5
278.11972	0.3
391.22662	0.8
483.27377	75.9
484.27716	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	483.274
Annotation	Unknow
Peak:m/z	Relative Intensity
67.47465	0.2
69.61357	0.5
69.61764	1.1
78.95792	7.2
96.96868	0.5
130.71320	0.2
152.99527	15.3
153.99852	0.3
171.00552	1.1
203.03825	0.2
227.03255	3.5
237.22281	0.4
245.04353	1.5
255.23329	100.0
256.23676	8.9
256.26401	0.3
386.97647	0.2
429.69101	0.3
483.27356	35.0
484.27740	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	483.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01280	1.9
61.98721	0.9
69.75336	3.8
69.75753	1.2
78.95795	11.2
116.28123	0.8
152.99532	23.3
153.00763	1.2
171.00589	2.1
214.17809	0.7
227.03342	4.2
245.04236	1.3
255.23328	100.0
256.23672	9.0
268.42560	0.8
327.02582	0.8
483.27197	47.5
483.33063	1.7
484.27332	5.6
496.74847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.5
61.98716	0.3
71.01276	2.2
71.51450	0.4
72.99178	0.3
73.02828	0.6
75.00751	0.4
75.91287	0.2
78.95787	4.2
79.95628	2.3
83.01329	0.3
85.02843	0.7
85.06534	0.3
87.00762	0.8
89.02351	1.4
90.14038	0.3
94.02882	0.3
95.01292	0.3
96.95914	100.0
96.96821	9.9
97.95831	0.5
98.02379	15.5
99.00797	0.4
101.02358	1.1
108.02071	1.5
108.04462	0.4
109.02895	0.7
111.00778	0.3
113.02341	0.8
113.32665	0.2
119.03378	0.4
122.02377	0.5
124.03931	0.3
125.02378	0.5
131.07053	0.9
134.02432	0.4
141.01901	0.3
151.03914	0.4
152.01115	1.5
153.01772	1.0
161.04463	0.4
166.05055	0.5
179.05630	0.5
241.45204	0.3
244.13301	0.3
262.14532	0.7
316.07367	0.3
483.13528	3.4
484.14215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51338	0.8
52.22282	0.7
54.24895	0.7
55.01754	1.0
59.01260	7.5
68.99693	2.0
69.49574	5.0
71.01279	6.5
72.99184	4.1
73.02812	0.9
75.00766	9.0
75.02450	1.7
82.31682	0.8
83.01280	4.4
84.99210	2.2
85.00907	2.6
85.02869	1.1
87.00765	1.7
88.98679	1.1
89.02328	2.2
98.00011	1.0
98.20547	1.6
99.00794	5.6
100.98692	2.0
101.02319	2.0
102.53931	0.9
103.00282	5.3
111.00768	4.8
112.98718	38.2
113.02357	1.1
113.99033	1.1
115.00282	2.6
115.01984	3.5
117.01846	2.8
124.98712	2.1
127.00262	1.9
127.01968	0.9
129.01833	2.1
142.99812	1.8
143.01498	1.0
145.01364	66.0
145.03123	1.8
146.01711	1.7
154.99826	1.0
157.01340	2.3
157.03127	0.8
171.00999	3.4
173.00870	1.4
187.02510	1.3
187.04135	1.0
203.03654	1.1
217.05225	1.7
231.03114	2.2
243.03139	1.1
245.04768	1.3
258.14630	0.8
263.05783	8.6
305.06839	1.3
335.04324	2.4
335.08035	3.8
365.09003	1.1
391.06952	11.2
419.06412	1.7
423.09381	1.1
451.09094	25.8
452.09473	3.3
479.44235	1.0
483.11749	100.0
484.11990	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	481.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11648	0.6
69.49623	0.6
71.11360	1.3
74.19083	0.5
78.95792	42.4
96.96868	3.4
106.90991	0.5
112.99332	0.6
138.51520	0.6
142.72064	0.6
150.17451	0.6
152.39600	0.5
152.99524	58.9
153.99957	0.8
171.00589	16.3
227.03252	4.1
233.24031	0.6
245.04344	100.0
246.04689	3.6
253.21761	63.5
254.22119	4.6
264.69131	0.6
463.26968	0.6
481.25818	55.4
482.26208	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	482.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57271	0.4
52.11873	0.5
59.01262	0.5
61.98717	100.0
70.01326	1.8
78.95792	4.6
89.54787	0.4
152.99532	9.2
167.08662	0.4
227.03273	0.6
245.04430	0.9
253.21724	0.6
255.23331	27.1
423.15143	0.5
470.97159	0.5
482.26208	1.0
482.36566	0.5
483.27313	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	483.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.9
61.98712	1.7
70.91402	1.6
71.01259	2.4
71.02423	0.6
72.99166	0.7
75.00771	1.6
83.01272	1.0
85.02839	1.7
86.00731	0.6
87.00790	1.4
89.02343	0.8
101.02325	1.7
109.02824	2.4
109.20427	0.7
113.02375	1.1
119.04954	1.5
121.02872	2.2
123.04445	0.8
125.02350	1.6
126.93652	0.7
127.00365	0.6
133.02869	10.7
135.04433	1.4
145.01360	0.7
147.04474	1.0
148.01659	0.9
149.02353	1.5
149.49155	0.8
151.00304	1.0
161.02390	1.8
162.05611	0.7
163.00330	2.0
163.03970	3.7
165.01833	2.7
175.02539	0.8
175.03908	3.4
177.01871	2.0
191.03513	2.2
193.01462	1.3
201.01895	1.5
203.03545	0.8
213.05544	1.0
227.07095	0.8
233.04330	0.8
240.04353	1.7
241.05013	0.8
243.02826	0.9
253.05025	1.4
255.06865	0.9
269.04553	1.0
284.03348	10.4
285.04037	8.4
286.04407	0.9
297.04102	15.7
298.04846	9.0
299.05667	20.2
300.06247	1.6
311.05658	3.2
325.03598	1.4
327.05167	100.0
328.05554	8.0
339.05206	3.7
341.06662	1.2
357.06241	25.1
358.06540	2.4
369.06119	2.4
393.06305	0.9
423.17419	0.8
447.09418	84.1
448.09821	10.8
482.27048	0.9
483.09137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43873	0.5
55.84395	0.5
55.93513	0.5
70.40965	1.8
78.95792	37.3
85.12380	0.5
96.96835	3.1
111.52933	0.5
113.90887	0.5
152.99524	65.8
153.99899	1.2
171.00594	17.6
209.66772	0.6
227.03256	4.5
244.23241	0.6
245.04349	100.0
246.04692	3.4
253.21762	60.1
254.22093	6.0
359.80957	0.6
481.25824	54.0
482.26236	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	481.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.1
55.51495	0.4
57.03346	2.8
58.00472	1.9
59.01265	43.6
61.74422	0.4
61.98718	2.4
65.00172	0.4
69.03336	0.8
69.96913	2.4
71.01270	36.9
72.01595	0.6
72.99211	3.8
73.02451	0.7
73.02840	11.3
75.00750	0.9
81.03322	0.7
83.01272	7.3
85.02842	16.4
85.99980	0.5
87.00769	2.4
89.02340	16.0
90.02707	0.5
93.03347	0.5
95.01272	1.7
97.02831	1.6
97.06507	0.5
99.00786	5.7
101.02345	31.0
102.02648	0.5
103.00257	0.6
107.01319	0.7
108.02069	1.4
109.02861	1.6
111.00788	4.0
113.01631	0.7
113.02357	11.5
114.02699	0.5
115.03896	0.6
119.03401	1.2
119.04936	0.5
123.04391	0.5
125.02370	3.6
129.01894	0.9
131.03432	10.1
133.18695	0.4
135.04454	4.6
136.05220	0.6
137.02393	0.9
137.05957	0.4
139.00313	2.2
141.01849	3.9
143.03452	1.4
145.02866	0.5
148.05226	0.5
149.02338	0.6
149.04498	3.7
151.00304	2.3
151.07538	1.2
152.01089	2.0
152.99388	0.5
153.01874	1.5
159.02911	1.7
161.04501	6.6
164.01064	0.4
173.04517	0.6
173.05951	0.6
175.03972	0.6
175.07594	0.5
177.01883	4.5
185.11862	0.8
187.04005	0.5
191.05594	0.5
193.01376	1.4
203.07162	0.6
205.12334	1.2
217.08664	0.5
228.07895	0.7
233.06705	1.7
243.10382	0.9
253.05151	0.5
255.10461	0.5
263.27988	0.5
264.61343	0.4
271.06244	0.9
274.15793	2.5
275.16626	5.2
276.16992	0.8
285.04074	1.4
289.16647	22.7
290.16959	1.4
315.07184	1.4
320.86615	0.5
339.07233	2.5
349.22415	0.7
355.06903	0.8
373.16803	0.5
421.20883	100.0
422.21249	10.4
463.16183	1.6
463.30911	0.7
481.09927	2.0
481.17365	4.7
481.22162	0.6
481.31750	1.5
482.17310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.2
57.03338	3.1
58.00477	1.4
59.01266	46.0
61.98714	2.4
69.03345	1.4
69.26773	0.5
69.27335	2.4
69.27763	2.8
71.01271	46.4
72.01593	0.9
72.99203	6.9
73.02838	12.3
75.00760	1.5
78.95803	6.8
81.03336	1.1
83.01285	7.5
85.02845	18.7
85.03362	1.1
86.96298	0.5
87.00775	6.5
87.97121	0.5
89.02338	19.4
94.04169	0.5
95.01286	2.9
96.96855	1.0
97.02839	2.0
99.00787	4.9
99.04404	0.7
101.02346	31.1
102.02744	0.7
103.00255	1.2
108.02085	1.0
109.02872	0.8
111.00795	4.8
113.02357	13.5
115.03939	1.4
119.03412	1.7
121.02882	1.2
122.03638	1.1
123.00752	0.8
123.04413	0.5
125.02374	5.7
127.11207	0.6
129.01820	1.7
131.03433	12.4
131.07129	1.2
135.04448	2.4
136.03946	0.9
136.05170	0.7
137.02400	1.3
138.05519	0.9
143.03441	1.9
149.04510	5.5
149.05753	0.8
151.00305	2.0
151.07591	3.1
152.99525	5.5
158.81889	0.5
159.02936	2.2
159.04237	0.8
161.02357	1.0
161.04497	7.6
165.09085	0.6
173.06033	0.8
174.03119	0.7
177.01825	0.5
179.03470	1.1
180.02823	0.5
185.06108	0.7
191.05566	1.1
199.07681	0.7
203.07164	0.6
211.13379	0.7
216.07878	0.8
217.08684	1.2
218.09515	0.8
229.08705	0.7
233.06659	2.2
265.90027	0.6
275.10281	1.0
278.10242	0.5
285.04294	0.7
287.05515	0.9
289.16644	20.1
290.17078	1.0
293.08774	1.1
326.57339	0.7
349.22330	2.1
421.20883	100.0
422.21243	11.2
463.16541	3.4
463.30161	0.7
481.16782	12.4
481.26703	1.9
481.32547	5.4
482.17340	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17952	2.9
57.03329	3.2
58.00486	4.1
59.01266	63.5
61.98714	38.5
63.97582	3.2
66.29785	3.0
67.10912	2.9
71.01276	21.4
71.52565	2.8
71.53081	4.2
72.99214	3.9
73.02798	2.9
73.67429	2.8
75.00767	30.5
79.63335	3.2
83.01293	2.8
84.67345	2.9
85.02852	8.0
87.00780	4.7
89.02348	14.0
95.01300	3.8
101.02371	9.5
109.02871	4.1
110.00012	3.8
113.02370	8.2
113.03539	3.0
114.05569	2.9
119.03438	5.6
119.04966	4.9
121.02853	5.1
123.00796	19.0
135.04523	3.4
137.02419	5.9
138.03175	15.6
151.00305	76.1
152.00870	4.1
153.01874	8.8
153.05528	12.3
154.02672	3.3
161.04507	4.9
163.00330	7.5
163.03932	3.8
165.01884	9.9
166.02663	98.5
167.03275	6.9
177.01944	5.7
178.02710	7.7
179.03326	6.2
180.04259	6.1
181.01427	8.8
181.05035	100.0
182.05403	4.8
193.01294	4.3
193.05060	8.7
195.03036	3.6
195.06650	6.1
196.03642	4.6
209.04594	5.1
211.05986	15.2
223.06276	3.6
225.07701	11.3
229.60316	2.9
241.07162	10.8
247.56877	3.9
257.69952	3.1
259.93134	3.4
346.68530	4.2
389.52295	3.2
481.18976	5.1
498.13901	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1001
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
51.10547	1.5
57.03323	1.5
57.45189	1.7
59.01264	12.3
59.81388	1.7
61.98704	4.5
65.00204	5.1
68.46307	2.0
68.99699	2.5
70.46596	3.4
70.46983	5.0
71.01264	6.6
72.99191	1.7
75.00743	5.4
79.01791	2.7
83.01276	5.3
85.02846	1.4
89.02353	3.0
95.01301	10.3
96.30845	1.5
96.99209	2.9
99.00788	21.3
101.02357	5.2
107.01332	3.7
108.02055	2.7
108.80378	1.7
109.02876	8.9
111.00805	12.4
113.02363	4.1
119.04893	2.4
120.33026	2.0
121.02877	2.5
123.00809	22.6
123.04427	13.8
124.01537	1.6
125.02390	12.8
132.95401	1.5
133.02951	1.8
135.04454	16.9
136.98711	3.8
137.02310	3.0
139.00291	23.7
141.01886	10.5
147.04443	2.5
149.02388	8.7
150.03157	17.5
151.00351	18.6
151.03949	48.6
152.01074	3.9
152.04366	1.8
153.01868	4.2
161.02332	2.7
163.00360	2.9
163.25615	1.6
164.01105	3.9
164.98222	12.4
165.01933	2.2
165.04018	1.8
165.98967	2.4
166.02692	1.9
166.99814	87.4
168.00598	14.8
169.01494	1.9
177.01900	2.4
178.99876	3.8
183.04443	2.2
185.00827	3.2
187.03954	3.0
191.03499	2.5
192.00597	15.9
193.01401	3.2
194.99339	7.9
201.01878	1.8
201.05530	2.2
201.11263	2.4
209.11781	3.7
209.76608	1.6
211.03970	2.1
214.02760	1.9
215.03432	5.0
219.02960	2.5
227.12854	2.2
229.05110	2.8
239.03255	2.0
240.04274	1.8
245.04286	1.7
255.03017	12.0
256.03711	5.3
257.04568	11.5
268.03793	1.9
273.03989	1.8
283.03058	12.1
283.05673	11.8
301.03592	77.3
302.03790	5.1
313.09253	2.5
318.03793	4.5
319.04614	10.3
355.06790	15.2
356.07040	2.2
445.13800	4.1
463.08646	3.9
481.09955	100.0
481.29990	4.6
482.10202	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	481.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.8
58.33116	2.5
59.01263	20.6
60.19185	2.0
61.59726	2.1
61.98687	2.6
62.94516	2.3
65.00201	8.0
67.01760	4.0
68.99689	5.6
69.03331	15.2
69.39295	14.5
69.39705	5.5
71.01276	13.1
72.99183	3.6
73.02813	3.4
75.00755	3.7
75.66763	2.1
79.01812	4.0
80.13356	2.0
81.03332	22.6
83.01287	15.5
85.02840	7.2
87.00742	4.0
89.02357	5.6
93.03351	26.5
95.01280	11.0
95.04911	10.8
97.02849	30.6
98.20526	4.9
99.00783	27.6
99.04398	12.6
101.02338	8.5
105.03371	3.8
107.01295	9.0
107.04922	5.9
108.02093	5.9
109.02872	27.9
111.00793	22.4
111.04431	5.7
113.02331	7.4
116.09488	2.3
117.03377	12.4
119.04948	6.8
121.02858	30.3
123.00786	11.3
123.04433	22.5
124.01603	4.4
125.02371	70.8
131.04985	3.4
133.02893	14.5
135.00778	7.7
135.04446	22.0
136.01639	3.8
137.02379	51.9
138.03065	7.7
139.00270	10.6
139.03941	22.8
140.01076	3.6
140.04248	2.3
141.01875	30.5
145.02873	4.5
147.00716	2.2
147.04401	5.7
149.02406	33.7
150.03049	5.6
150.11002	2.4
151.00290	17.5
151.03938	23.5
152.01067	9.7
152.03429	5.7
153.01877	46.8
155.03455	3.3
159.04402	5.0
161.02362	12.9
163.00310	20.6
163.02679	2.2
163.03929	10.1
164.01047	8.0
165.01889	77.2
166.02664	47.1
166.99715	3.4
167.03461	100.0
167.04889	5.3
169.01338	3.5
171.03003	5.8
171.04367	3.9
173.02422	3.5
175.02565	3.0
175.03973	6.9
176.01021	4.8
177.01906	32.3
177.05377	2.3
178.02467	3.0
178.99831	25.8
179.03461	22.1
181.01393	39.2
182.02060	7.9
183.02980	34.5
185.06187	3.5
187.04002	4.7
189.01913	7.2
189.05554	4.2
190.02516	3.1
190.99829	7.0
191.03452	16.9
192.00574	4.8
193.01385	72.6
194.02051	9.0
195.02956	26.6
196.03711	10.2
197.04555	15.4
199.03998	2.6
203.03433	6.2
205.01421	24.6
205.05014	3.1
206.02080	8.5
207.02992	43.5
209.00935	14.8
211.02440	9.8
213.04008	3.6
215.03485	9.0
217.04948	3.9
219.02989	56.7
220.03226	2.8
220.98926	3.9
221.00919	44.5
221.04359	3.7
222.01491	4.7
223.02496	35.8
224.03244	29.0
225.03938	13.4
226.02713	2.5
227.03479	5.6
229.05045	5.8
231.02991	5.4
231.06615	3.3
233.04507	6.1
235.02498	25.5
237.00301	3.3
237.03970	5.9
239.01930	5.7
241.03229	5.4
241.05391	5.2
243.02934	4.2
243.06593	7.3
245.04584	7.2
251.02049	18.0
253.03300	3.2
255.02946	6.0
256.03769	4.1
257.04440	12.7
259.06238	10.5
261.03772	3.9
261.06201	10.3
265.03717	4.2
268.03867	3.3
269.04660	17.9
270.05164	3.2
271.02795	2.5
271.06201	12.7
273.04080	7.2
275.05707	4.5
281.05011	2.8
282.05450	4.4
283.06210	22.4
284.03473	3.5
284.06595	3.5
285.03867	11.3
287.05118	5.3
287.08221	18.2
297.03961	23.3
298.04858	6.3
299.05692	31.3
300.06149	8.4
301.03171	5.1
301.06165	5.6
303.07275	10.1
311.05673	35.6
312.05981	3.4
313.03290	6.1
313.06418	3.3
315.04977	18.6
316.05707	4.5
317.06659	9.6
325.05862	5.4
327.05093	39.4
328.05795	4.4
329.06384	7.2
331.04645	10.7
341.05142	27.4
343.04306	54.6
344.04797	38.9
345.06030	8.5
355.06824	2.8
357.06189	14.0
361.05634	89.2
362.06149	7.6
373.05621	24.1
374.06274	2.7
391.06772	19.2
418.08704	2.5
430.09085	5.1
431.09943	49.0
432.10031	2.8
435.09290	6.7
445.07498	3.0
446.08331	5.6
447.09384	46.5
448.09680	6.4
449.45334	2.9
463.08813	26.3
464.09607	32.8
481.09891	98.1
481.16071	6.6
482.10236	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	479.1203
Annotation	Padmatin 3-glucoside
Peak:m/z	Relative Intensity
57.03338	15.4
58.03677	0.2
59.01268	1.2
61.98706	0.3
70.94340	0.5
71.01284	0.7
73.02854	0.2
75.00771	0.4
81.03353	2.5
83.01278	6.9
85.02845	0.4
87.00803	0.2
89.02350	0.5
99.00836	0.2
101.02354	0.4
107.01344	0.3
109.02841	0.4
118.57117	0.2
124.01586	0.9
125.02368	100.0
126.02698	3.5
135.04488	0.3
137.02403	0.5
149.02383	0.3
151.00281	0.5
152.01085	0.2
163.00290	1.0
165.01845	0.2
174.03123	0.3
176.01114	3.5
177.01903	2.1
178.02565	0.3
189.02017	0.2
191.03482	7.2
192.04184	1.0
207.06616	0.2
215.03516	0.2
216.04190	0.3
223.07491	0.2
231.06693	0.3
257.08252	0.5
263.52618	0.2
301.03641	1.0
316.05701	0.2
317.03076	0.3
317.06680	1.9
341.06714	0.3
382.84775	0.2
394.32260	0.2
479.12039	39.8
480.12329	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	479.339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84806	1.1
59.01256	1.5
61.98706	1.3
71.55141	1.7
79.05409	1.7
79.64558	1.1
95.04938	1.3
97.06483	6.5
99.08053	3.8
107.04952	2.2
107.08559	1.9
109.06513	12.0
109.68721	1.2
110.20070	1.3
111.08080	2.1
123.04389	1.3
125.02361	5.1
149.75830	1.3
151.07613	2.7
153.05518	4.6
171.56070	1.4
171.71106	1.2
237.16878	1.3
281.24936	3.3
283.26541	3.1
321.28101	2.5
353.30713	1.7
391.35867	16.4
392.36456	1.9
419.11066	1.3
435.34875	100.0
436.35263	11.9
479.33932	59.7
480.34277	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	479.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76180	7.3
59.01271	55.5
70.25708	32.7
71.01257	15.8
89.02329	10.6
90.02842	9.0
137.69827	7.9
149.06006	14.3
179.05557	17.1
183.06569	28.2
208.94398	7.8
226.08612	9.6
239.05630	100.0
312.38425	7.8
318.30371	9.3
345.14700	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	479.1206
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
54.76064	0.9
55.01760	1.6
57.03325	4.6
59.01263	30.6
60.01590	1.3
61.98714	13.4
65.00195	4.3
69.03352	2.2
69.47206	7.4
71.01267	17.5
72.65945	1.0
72.99191	6.7
73.02825	4.3
75.00753	4.6
81.46573	1.0
83.01271	6.4
83.04932	1.7
85.02829	6.8
85.99953	1.2
87.00773	3.5
87.04417	5.2
89.02336	6.6
90.44756	1.2
93.03325	2.5
95.01276	9.5
95.04946	1.1
97.02853	1.3
98.19806	2.0
99.00763	3.9
101.02342	12.6
103.00246	1.5
107.01289	2.1
107.04919	1.1
108.02070	4.3
109.02844	6.5
109.99971	1.4
111.00790	25.0
112.01162	1.5
113.02374	7.5
119.03406	1.6
121.02866	5.0
122.03636	1.8
123.00778	6.1
123.04434	4.8
124.01588	8.4
125.02370	39.1
126.02660	1.2
131.03494	1.5
133.02869	5.0
135.04477	5.7
137.02357	4.9
139.00299	57.7
140.01093	35.8
143.03450	1.5
146.37674	1.2
149.02411	2.4
150.03127	1.3
151.00298	8.3
151.03915	4.4
152.01091	17.9
153.01842	4.8
155.03433	52.7
156.03766	1.8
160.03983	2.4
161.02394	34.6
161.04480	3.6
161.05721	1.1
162.02757	1.7
163.03918	2.6
163.84946	1.1
164.01094	1.3
164.04689	1.5
164.98227	3.0
165.01843	4.8
165.05447	3.0
165.98938	1.4
166.02705	1.5
167.03458	3.7
171.10211	18.5
177.01859	2.3
178.99867	8.3
179.03418	5.8
180.00479	1.8
181.04997	1.3
184.95848	1.0
192.04176	1.5
195.06602	2.4
197.04512	1.5
199.03993	1.4
201.11372	2.0
203.03514	1.2
207.02904	1.4
207.10262	2.1
214.06313	1.3
216.04341	1.6
225.11266	9.7
227.03557	1.5
230.05927	1.9
231.06567	2.9
253.09367	3.8
255.03082	1.6
256.74646	1.4
258.05319	2.8
271.06015	1.4
273.04306	1.3
273.07693	4.2
274.04868	3.1
289.07230	29.8
290.07721	1.8
299.02097	2.8
299.05582	3.6
299.08948	1.3
301.03601	26.3
302.04102	5.9
315.07269	3.7
317.06741	76.2
317.10336	9.3
318.07150	7.2
318.10303	1.3
329.15897	1.5
341.06662	2.6
347.17181	10.5
359.07831	8.3
407.19269	1.9
418.25760	2.7
419.25983	2.7
435.12933	2.7
435.29913	2.3
464.09467	4.0
479.11963	100.0
479.21515	16.2
480.11899	15.7
480.21817	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	477.3234
Annotation	Dolicholide
Peak:m/z	Relative Intensity
52.81028	0.8
53.16128	0.8
57.03322	0.7
59.01265	46.8
71.01270	2.2
71.04898	7.7
71.54996	0.8
85.02825	1.1
87.00726	0.9
88.38908	0.7
89.02359	1.1
94.04154	0.9
95.04935	9.6
97.06493	1.9
101.02345	2.0
107.04929	13.1
109.06515	1.3
111.04448	2.6
111.50733	0.9
113.02339	2.4
119.03455	0.9
123.00739	1.2
123.04426	2.6
133.06461	0.7
136.05148	1.1
137.02351	1.5
151.03943	8.9
151.07574	9.0
157.85338	0.7
161.04453	1.1
163.07581	1.1
164.04762	3.7
165.05606	1.1
179.07106	13.0
197.85164	0.7
255.23323	40.6
256.23618	3.7
269.24911	3.9
279.26907	1.6
283.59000	0.8
293.55630	0.8
295.26718	1.0
297.24524	1.1
347.33148	2.3
387.32855	1.2
389.34381	9.2
390.34760	1.3
431.31329	1.2
433.33298	41.7
434.33710	4.9
441.29855	1.8
459.31180	6.5
460.30991	1.6
477.32297	100.0
478.32565	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	477.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74249	1.6
53.77803	1.8
57.03339	2.9
59.00993	3.5
59.01265	47.8
61.98706	3.0
70.93481	4.2
71.01270	42.0
72.99198	49.5
73.02837	6.0
75.00764	23.1
83.01268	2.7
85.02852	21.3
87.00778	5.9
88.00289	2.1
88.61301	2.3
88.98694	14.0
89.02342	28.7
90.01870	7.4
91.00266	100.0
92.00586	2.7
95.01327	3.4
97.02880	2.2
99.00787	5.8
101.02344	22.1
109.02848	2.3
111.04448	1.9
113.02354	16.1
113.73879	2.7
117.03407	2.4
119.03429	7.2
125.02331	2.5
125.05917	1.9
132.04533	3.2
138.06723	2.7
139.07588	2.1
143.03448	2.4
144.37814	2.1
149.02306	2.1
151.07607	5.3
152.08376	7.9
153.09169	14.8
159.02959	2.4
161.02406	2.5
161.04532	9.4
161.05966	1.9
163.00328	2.6
165.05522	2.4
167.06972	2.3
179.05531	7.7
179.10655	2.3
179.64665	1.8
190.28030	1.8
205.12337	6.8
215.11050	2.2
219.10289	3.2
221.11743	3.5
223.13269	4.1
237.11295	3.8
237.69348	1.8
256.03775	3.3
271.06104	4.2
283.06009	7.7
284.06540	6.3
285.06686	9.3
311.05676	10.2
312.05978	7.9
313.06302	16.9
315.05093	4.3
325.06149	3.1
343.07269	4.3
347.34683	2.2
385.18713	2.5
433.10721	8.2
459.18185	2.6
477.09509	32.6
477.19150	14.8
478.09833	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	477.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99568	2.4
53.93529	2.4
56.31992	2.0
57.03333	7.7
59.01264	69.4
61.98698	7.3
63.19940	2.7
67.01802	2.4
69.03352	2.9
69.15800	2.4
69.47332	6.0
69.47742	13.4
70.48004	2.3
71.01270	21.9
71.04917	2.4
72.99199	4.5
73.02829	5.0
73.74697	2.2
75.00758	8.3
83.01298	3.5
83.04919	4.3
85.02827	9.4
87.00777	61.9
88.98726	6.1
89.02344	13.1
91.03893	5.8
93.03362	4.5
99.00751	7.3
101.02367	14.8
107.04935	2.4
109.02856	7.1
113.02336	8.1
114.68958	2.4
119.04904	3.6
119.39326	2.1
121.02877	7.7
122.03542	2.5
123.04405	4.9
125.02364	7.1
129.01848	15.0
135.04442	6.1
137.02342	10.2
138.03139	6.8
139.00261	2.7
147.02893	5.0
148.01660	2.8
149.02365	8.5
150.03157	4.5
151.00307	11.2
151.03886	3.0
153.01854	3.7
153.05479	4.3
161.02370	3.6
161.04459	4.0
163.00307	4.5
163.03952	7.7
164.04706	7.3
165.01857	17.7
165.05490	5.3
165.12831	5.7
166.02611	8.3
167.03435	10.3
175.03943	2.9
179.03401	5.9
179.07072	9.0
180.04271	12.8
181.04973	8.9
183.13834	8.7
191.03477	6.0
192.04211	6.1
193.05083	3.8
193.12332	3.9
194.05760	4.8
195.06593	10.5
195.13866	4.1
201.01875	3.0
205.12236	2.7
206.05873	3.6
207.06557	5.2
211.13387	100.0
212.13734	4.1
213.14986	17.8
214.62581	2.5
221.08286	2.7
223.13422	11.1
235.13358	9.8
239.12823	4.7
241.14462	65.2
242.14871	5.0
245.11832	3.2
251.12944	10.2
253.14417	10.7
257.04483	2.9
263.12915	15.9
273.07697	7.4
285.17093	28.8
297.04031	5.3
297.07446	3.3
300.02969	13.4
315.04999	6.4
315.08582	3.7
315.18130	30.8
325.16354	3.3
327.18256	4.9
337.16550	9.1
339.05038	2.7
343.17688	23.9
355.17505	14.4
387.14603	43.7
388.14838	5.5
415.19693	9.3
417.15930	4.6
433.20532	3.8
433.28043	6.5
477.10727	10.7
477.18399	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1926
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
59.01255	2.5
59.29467	0.6
69.62047	4.8
78.95779	1.6
133.02882	1.3
135.19305	0.7
145.02866	1.2
148.01598	2.4
149.02435	0.9
152.99533	0.8
162.06749	2.0
165.05482	0.7
175.03951	1.4
177.09177	1.9
263.07150	0.9
267.06659	3.3
283.09833	1.0
291.10452	0.8
293.08414	0.7
301.14243	1.0
303.06772	0.8
303.10025	1.0
315.50211	0.8
319.09741	1.4
321.07779	1.8
328.13312	0.7
335.09430	0.9
347.09387	2.7
354.14224	0.7
359.09573	1.4
361.14511	0.9
363.08807	3.0
365.57346	0.7
375.08780	7.2
377.10248	0.9
382.98004	0.7
389.14053	3.1
391.12115	1.3
403.11374	1.2
405.16934	1.5
417.13235	3.6
418.13712	1.0
419.11499	1.9
432.16058	1.3
433.16602	1.9
434.17438	5.1
435.17587	1.0
446.17505	5.0
461.16092	2.0
462.10416	1.5
462.16940	24.3
463.17307	3.3
470.77603	0.7
477.19278	100.0
477.31686	2.3
478.19650	14.5
478.29147	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	477.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03337	2.7
58.00462	0.4
59.01262	12.3
61.98703	1.3
63.06091	0.4
67.01768	0.5
67.11039	0.4
68.99702	1.2
69.03346	1.5
70.14311	0.9
70.14699	1.0
71.01267	15.4
72.99181	3.7
73.02834	1.9
75.00761	11.7
78.18549	0.4
81.03349	0.6
83.01266	1.7
85.02841	13.7
87.00772	5.9
89.02326	4.0
93.03347	0.6
95.01286	3.3
99.00784	8.5
101.02347	1.2
103.00287	1.4
109.02857	1.1
111.00793	0.7
111.08036	1.1
113.02353	14.4
115.00299	1.9
117.01867	2.1
119.04897	0.4
125.02337	0.9
129.01855	1.2
131.03398	0.6
133.03853	0.4
135.04469	1.1
152.99518	0.5
157.01347	0.9
161.04463	0.6
165.12811	10.8
166.13113	0.6
175.02477	2.1
183.13876	67.4
184.14214	4.2
186.58415	0.4
205.07187	0.7
209.11819	1.5
227.12903	5.0
231.05139	0.8
249.06168	9.1
267.07239	10.5
271.02625	0.7
297.32581	0.5
299.02139	1.0
301.16623	4.0
314.04453	0.9
315.05231	0.6
315.12549	1.0
415.19766	4.4
417.25009	0.8
433.20886	0.6
435.25919	0.7
459.18750	2.1
477.19846	100.0
478.20184	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	477.1776
Annotation	Dichotosinin
Peak:m/z	Relative Intensity
59.01258	0.5
63.66463	0.1
65.03841	1.5
65.91940	0.1
67.01775	0.5
69.77573	0.4
69.77987	0.4
71.01289	0.3
73.02818	0.1
85.02844	0.3
91.05427	6.3
92.05764	0.1
93.03355	1.6
98.20530	0.2
101.02382	0.1
103.05441	0.2
107.04935	0.2
108.02063	1.5
109.02859	24.1
110.03248	0.7
113.02324	0.1
119.04972	0.2
121.02869	9.4
122.03697	1.5
123.04449	0.4
133.02885	0.5
134.03662	0.6
135.04445	63.5
136.04729	2.3
147.04453	6.2
147.16930	0.1
148.05235	5.9
149.05638	0.2
159.04433	0.2
160.05251	1.1
160.42693	0.1
161.05974	1.0
165.05508	0.3
167.07085	3.1
172.05215	0.1
173.05998	0.3
178.06320	0.2
187.07599	0.1
191.07074	0.2
193.08678	10.2
194.08980	0.7
200.08444	0.5
202.10120	0.2
206.36397	0.1
209.09740	0.1
210.06789	0.1
211.07600	1.0
212.08273	0.2
212.80585	0.1
213.05511	0.2
214.06329	0.2
214.10057	0.1
214.61938	0.1
223.07703	0.2
225.09193	0.4
226.09999	0.5
227.07129	0.4
228.07936	0.6
230.09502	0.3
232.07593	0.2
237.09236	0.2
238.10143	0.2
239.07291	0.1
241.08672	0.1
242.09547	0.3
245.11700	0.2
247.13483	0.4
251.07040	0.1
252.07925	1.5
253.08670	0.5
254.06139	0.1
255.06654	2.0
256.11163	0.3
258.09015	0.4
265.08566	0.2
267.06638	0.3
269.08234	0.8
270.08994	3.1
271.06232	0.2
271.09329	0.3
271.13370	0.1
273.11435	0.6
282.08990	0.6
283.09683	0.2
284.06949	0.3
285.07813	0.3
285.11255	0.2
287.13010	0.2
297.11349	1.1
300.10095	0.5
315.12442	100.0
316.12756	9.7
339.12314	0.2
345.19357	0.2
385.66498	0.2
477.17844	1.9
477.23828	0.2
478.17831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08094	0.3
54.94131	0.3
57.03344	5.4
59.01267	4.6
61.11245	0.4
61.98701	1.1
65.00211	5.2
66.01598	0.3
68.94401	0.4
71.01276	2.1
71.59228	0.4
72.99202	0.8
73.02827	0.9
75.00768	0.9
75.82635	0.3
81.03340	1.0
83.01275	6.9
85.02847	1.0
87.00768	0.6
89.02328	1.8
90.88349	0.3
96.95922	0.4
97.02861	0.4
99.00787	0.5
101.02356	1.1
107.01291	9.9
113.02358	1.0
119.03394	0.6
121.02887	0.5
124.01566	3.3
125.02367	56.9
126.02696	1.8
126.73104	0.4
149.02400	0.9
149.99522	0.7
151.00310	45.2
152.00644	1.6
161.04436	0.9
165.01831	0.6
167.03499	1.1
168.00597	5.2
169.01361	7.0
175.00305	1.4
179.05632	0.5
180.07483	0.5
190.35539	0.4
193.01434	1.2
205.01414	0.5
211.02542	0.5
235.02487	1.3
331.06720	0.6
339.07263	0.9
417.21329	0.5
459.11633	1.8
477.12595	100.0
478.12900	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	477.1414
Annotation	Myrciacitrin I
Peak:m/z	Relative Intensity
55.01757	0.7
57.03344	0.9
59.01263	13.0
60.80190	0.8
61.01677	0.7
61.98719	4.6
66.32866	0.8
69.03344	1.0
69.45585	4.8
69.45999	1.5
71.01262	5.6
72.99198	3.1
73.02841	1.8
74.25159	0.7
75.00762	1.6
79.05449	1.1
81.03344	1.2
83.01235	1.1
83.04900	0.7
85.02837	1.9
85.14233	0.7
87.00773	2.5
88.98708	5.5
89.02343	4.8
91.00340	0.7
91.05441	2.4
93.03370	2.0
95.04957	1.0
97.02857	1.3
97.06493	0.9
99.00788	1.4
99.04459	0.9
101.02337	3.5
105.07005	1.4
107.04945	0.8
108.02090	4.5
109.02866	18.1
113.02371	3.0
115.00289	0.8
119.03370	1.2
119.04970	1.4
121.02882	14.1
122.03709	2.0
123.04449	15.5
125.02383	3.4
133.02895	2.0
134.03712	0.9
135.04453	51.1
136.04787	2.3
137.05966	1.0
141.05460	1.8
147.04469	10.6
148.05061	1.1
149.02371	2.0
149.06021	37.2
150.06372	1.6
151.00323	2.3
153.01886	0.7
153.05522	1.9
161.02411	2.3
161.04645	1.1
161.06006	9.6
162.06810	3.7
163.03946	0.9
163.06120	1.6
165.01868	1.0
165.05707	0.8
167.03499	1.1
173.06122	1.3
175.02454	0.8
175.03937	1.1
178.31093	0.7
178.99854	1.1
187.07822	0.8
193.01442	0.9
201.05508	1.1
201.09184	1.9
211.13255	1.1
227.10808	2.5
229.08691	1.8
253.08742	4.6
256.07434	1.6
259.27917	0.7
269.04462	0.7
271.09818	75.3
272.10178	6.1
297.04715	1.1
297.07745	5.3
299.02090	0.9
300.03003	0.9
301.03549	4.6
315.05096	2.5
315.08722	13.9
316.64008	0.7
425.08664	1.0
433.28275	1.1
477.14191	100.0
478.14493	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	477.126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	7.2
59.47308	1.0
65.00218	5.0
65.70028	0.8
68.93157	0.9
70.09101	0.9
70.74911	1.0
71.01274	1.2
71.54134	1.9
81.03350	2.0
83.01269	8.9
86.50376	1.0
92.82931	1.0
107.01289	11.3
124.01573	3.3
125.02361	56.2
137.02269	1.0
147.87975	1.1
151.00308	43.1
152.00667	1.3
155.46606	0.9
167.03456	1.1
168.00563	4.9
168.44258	1.0
169.01340	6.6
171.62390	1.0
175.00143	1.3
185.40041	0.9
193.01373	1.8
281.99771	1.3
315.07123	1.1
320.94919	1.1
433.51126	1.2
454.63281	1.0
459.11346	1.9
477.12576	100.0
478.12802	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	477.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	6.6
59.01262	0.5
64.30696	0.4
65.00214	4.9
65.64627	0.3
66.25529	0.3
66.35513	0.3
70.87841	0.9
71.01290	0.8
73.02832	0.3
81.03368	0.7
83.01273	5.7
85.02875	0.3
107.01292	8.7
122.31131	0.3
124.01579	3.6
125.02367	45.5
126.02695	1.1
139.03934	0.5
148.36516	0.3
149.02347	0.9
149.99557	0.6
151.00310	33.9
152.00710	1.3
167.03439	0.5
168.00623	4.2
169.01381	4.1
170.01584	0.4
175.00276	0.7
184.26158	0.3
193.01390	0.7
205.01308	0.4
208.72575	0.3
210.38249	0.3
211.02451	0.3
217.01463	0.3
235.02548	0.7
297.06366	0.4
331.06500	0.4
339.07318	0.5
395.25879	0.3
407.31503	0.3
459.05460	0.4
459.11371	1.7
460.11694	0.4
477.12601	100.0
478.12872	10.2
492.90866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66729	0.2
59.01266	0.4
61.36968	0.2
65.31824	0.2
69.66408	0.2
71.28937	0.6
78.95792	16.3
82.77756	0.2
85.81704	0.2
96.96853	1.0
122.00032	0.2
132.03256	0.2
140.01128	2.6
152.99521	2.4
162.28525	0.2
171.00610	2.6
181.50595	0.2
196.03708	1.3
214.04829	3.1
223.93774	0.2
261.22409	0.5
279.23343	100.0
280.23679	9.4
280.26807	0.3
402.24481	0.2
476.27948	18.9
477.28183	2.5
477.34265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64463	0.3
59.01271	0.3
62.96275	0.4
69.22636	0.3
71.07611	0.5
71.07935	0.4
72.68575	0.2
74.89822	0.2
75.09283	0.2
78.95796	100.0
80.58844	0.3
84.65784	0.3
96.96861	7.5
98.78879	0.3
122.00026	0.4
140.01143	2.7
150.98065	0.3
152.99530	16.4
171.00595	18.6
196.03783	4.5
199.63478	0.3
200.59068	0.3
214.04881	1.6
217.14772	0.3
217.16759	0.3
261.22437	0.4
263.82819	0.3
279.23361	41.7
280.23703	3.1
305.44806	0.3
387.87451	0.3
402.24341	1.4
403.24612	0.3
476.27933	72.2
477.28159	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	477.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.2
61.98716	0.3
65.00214	0.6
69.47163	1.6
71.01270	0.5
73.02846	0.3
83.01289	1.0
85.02836	0.3
89.02345	0.5
94.08060	0.3
101.02321	0.5
103.26329	0.2
107.01316	0.3
109.02853	0.4
113.02403	0.2
124.01573	0.4
125.02369	0.9
135.00783	0.4
135.04483	0.4
137.02325	0.2
148.01656	0.3
149.02423	0.3
151.00301	1.0
153.01839	0.5
159.04422	0.6
161.02414	1.7
162.02847	0.2
163.03969	0.3
165.01749	0.3
175.02594	0.3
175.03952	1.6
176.01112	0.2
177.01941	0.2
183.04424	0.7
185.02335	0.6
187.03966	0.6
189.01904	1.6
190.02679	0.3
191.03383	0.3
195.02931	1.6
198.03067	0.3
199.03960	1.3
201.01915	0.5
203.03522	2.3
204.04195	0.3
205.05147	0.3
213.01909	2.4
214.02591	0.4
215.03477	0.6
217.05048	0.6
225.04022	0.5
227.03474	4.1
227.05502	0.4
228.04160	0.5
229.01396	0.6
229.05009	0.5
230.02174	0.4
231.02994	10.6
232.03667	2.2
243.03026	15.8
244.03424	1.2
245.04585	3.5
246.05295	0.4
247.06190	1.4
255.03079	1.2
255.06743	0.4
256.03519	0.4
257.00842	0.3
269.04559	0.5
271.02536	28.3
272.02905	2.3
283.93509	0.3
284.03027	0.3
285.04092	1.8
297.03949	0.3
299.02036	49.3
300.02603	8.2
300.06140	0.4
301.03583	1.9
313.03583	9.4
314.04343	9.8
315.05063	2.7
315.08801	0.7
329.03131	0.7
357.06360	0.6
360.13416	0.2
394.09055	0.5
409.11478	0.6
445.07895	0.4
462.08118	1.0
477.10464	100.0
478.10818	12.9
478.16196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	53.7
59.01525	11.3
72.40174	7.6
84.59309	7.6
95.78758	8.1
101.02332	8.9
104.54819	6.9
196.67441	7.5
277.21719	24.1
279.23297	23.3
309.71292	7.3
370.64432	8.0
475.34821	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	475.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
59.01264	100.0
60.01603	1.5
68.26900	0.2
69.33149	2.2
71.01250	1.5
72.99223	0.3
73.02847	0.7
79.01777	0.3
83.01315	0.3
83.79826	0.2
85.02858	0.8
85.52991	0.3
89.02351	0.8
91.05441	0.4
93.03387	0.4
97.06517	0.3
99.00812	0.3
99.04437	0.6
101.02372	1.0
109.02882	2.2
111.08051	0.3
113.02378	0.8
117.03394	1.1
119.03441	0.3
119.04928	0.4
121.02895	1.1
123.00803	0.2
125.02397	1.1
134.03690	0.3
135.04448	5.1
146.34192	0.2
147.04485	0.5
148.05289	0.2
151.00331	0.3
161.02354	0.4
163.04005	0.5
165.05486	0.5
180.61662	0.2
187.91774	0.3
191.07150	0.7
197.64337	0.2
211.94627	0.2
271.06186	0.7
283.06207	4.4
284.06644	0.5
295.06366	0.4
309.04327	0.3
311.05698	3.8
312.06271	0.7
313.10880	8.1
314.11334	1.2
336.44284	0.3
337.03561	2.5
338.04413	0.3
341.06866	0.4
385.09573	0.5
415.23685	0.9
475.08847	7.4
475.15164	0.5
475.29651	2.1
476.09409	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	475.248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	35.2
70.93600	9.9
70.93910	7.7
85.64232	5.2
98.11452	4.9
108.50826	5.0
129.25925	5.7
173.73314	6.9
177.02890	5.0
197.02263	8.8
248.85500	5.0
277.21796	100.0
330.68414	5.7
431.35538	8.5
437.16260	6.1
465.43179	6.3
465.93176	5.8
475.26926	10.8
475.34351	70.8
476.34915	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	475.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56609	0.1
57.03338	1.7
59.01264	100.0
60.01600	1.1
61.01711	0.2
61.98714	0.5
65.03849	0.3
69.22948	1.8
71.01267	2.6
72.99200	0.4
73.02845	0.7
77.03876	0.4
81.03345	0.2
83.01278	0.4
85.02837	0.8
87.00774	0.7
87.81191	0.2
89.02328	1.5
89.13772	0.2
91.05431	0.9
93.03362	0.7
95.01291	0.3
98.19683	0.3
99.00778	0.2
99.04408	1.8
101.02351	2.0
105.03355	0.3
108.02075	0.5
109.02854	3.6
113.02334	1.2
117.03393	1.0
119.03420	0.5
119.04942	0.5
121.02861	1.7
122.03690	0.2
123.00826	0.2
123.04395	0.2
125.02373	1.9
133.02896	0.3
134.03645	0.4
135.04449	8.7
136.04750	0.4
143.03372	0.2
145.02882	0.5
147.04449	0.9
148.05191	0.5
149.02359	0.6
149.06013	0.2
151.00299	0.3
152.01042	0.2
153.01849	0.3
159.04446	0.3
161.02359	0.8
161.04419	0.8
163.03896	0.7
165.05476	0.7
167.03389	0.4
175.00307	0.3
175.03885	0.2
176.04730	0.5
177.01868	0.5
177.05557	0.5
179.05504	0.5
191.03415	0.2
191.07132	1.7
193.01372	0.2
197.02510	0.2
203.07082	0.2
205.57144	0.2
211.07527	0.2
225.05351	0.2
239.06975	0.2
243.06609	0.2
248.00197	0.2
253.05058	0.6
255.06606	0.5
268.03760	0.4
269.04343	0.4
269.07733	0.2
270.08997	0.3
271.06149	0.4
271.09546	0.2
283.06180	5.0
284.06543	0.6
293.04645	0.3
295.06088	0.5
298.08423	0.2
309.03952	0.4
311.05676	4.4
312.06122	0.5
313.10873	14.9
314.11188	1.6
323.05560	0.2
337.03653	2.1
338.03922	0.2
341.06500	0.2
342.10913	0.2
355.04474	0.4
357.13495	0.3
367.04599	0.2
369.13364	0.4
373.22342	0.4
385.09161	0.2
390.81564	0.2
415.23492	1.1
433.24213	0.2
457.07516	0.7
475.08643	8.4
475.16031	0.4
475.29364	2.1
476.08780	1.4
476.29218	0.2
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
55.01767	3.0
57.03331	2.8
58.00494	1.1
59.01264	41.6
59.74929	0.6
69.03329	0.9
69.70071	4.6
71.01271	35.6
72.99181	3.3
73.02837	14.4
81.03346	1.0
83.01279	10.9
85.02843	19.1
87.00764	3.2
88.00271	0.7
88.98693	2.6
89.02336	6.7
95.01274	1.9
97.02859	2.0
99.00201	0.8
99.00766	5.5
101.02345	35.7
102.02686	1.2
103.03908	2.7
111.74039	0.7
113.02353	15.3
116.92786	1.3
117.03340	1.3
119.03391	1.9
121.02867	1.3
125.02365	4.4
143.03424	1.9
159.02919	2.6
161.02458	1.1
161.04509	20.5
162.04854	0.9
163.06017	2.4
165.01833	0.8
167.03520	0.8
181.04971	0.9
205.03383	0.8
213.65915	0.7
247.08348	2.0
249.58141	0.8
267.07269	0.8
269.10364	55.5
270.10712	3.1
283.06192	8.4
295.05908	1.2
307.10413	1.0
311.05716	10.6
312.05963	1.3
323.05640	1.1
333.02353	0.8
341.06689	3.3
415.16162	100.0
416.16504	9.3
431.09851	3.8
475.08496	11.9
475.18854	1.0
476.09308	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	475.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44236	1.0
57.03332	3.4
58.00480	1.2
58.53266	1.0
59.01264	100.0
60.01599	1.8
61.98708	2.9
62.34902	0.9
67.75869	0.9
70.89442	2.6
71.01270	30.6
72.99196	2.7
73.02832	28.4
75.00785	1.2
83.01273	9.1
85.02855	5.7
87.00766	2.8
87.70107	1.0
89.02342	13.8
95.01314	1.4
95.51338	1.0
96.95874	1.1
97.02847	1.3
99.00774	1.8
99.04451	1.0
101.02342	29.7
104.46970	1.0
108.02066	1.5
109.02897	1.5
111.08072	2.1
113.02350	11.1
119.03421	6.3
119.04948	1.3
125.02365	8.3
129.59387	1.1
131.03426	1.6
143.03375	2.7
149.04503	3.0
151.00287	1.3
152.01080	4.4
153.01930	1.6
153.09160	11.0
161.02357	1.6
161.04471	7.9
177.01962	1.2
179.03381	2.0
179.05583	3.0
209.15453	6.3
227.16531	1.2
269.04550	7.2
270.04922	3.1
271.06064	2.6
287.05707	1.4
312.06509	2.8
313.07138	2.6
371.20828	3.8
389.21838	3.4
415.23508	1.7
428.50330	1.1
431.13351	3.7
431.23019	5.5
431.28769	1.3
475.13019	8.0
475.19623	1.1
475.29596	5.5
476.12750	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	475.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33686	0.3
57.03339	0.5
58.00474	0.5
59.01267	10.6
61.98714	0.7
65.00208	1.1
65.88959	0.3
71.01270	5.0
71.51652	0.4
72.99203	0.8
73.02831	0.9
75.00744	0.6
81.03354	2.4
83.01276	2.1
85.02840	0.8
86.53927	0.3
87.00766	1.0
88.98710	0.8
89.02341	4.4
91.01792	13.4
93.03363	0.4
95.01293	0.4
95.04961	0.4
101.02348	3.1
105.45596	0.3
107.01271	0.7
109.02870	1.4
111.00806	0.4
113.02346	1.1
119.03423	0.7
123.04442	20.4
123.38287	0.3
124.04813	0.8
125.02375	5.9
131.03435	1.3
133.02896	0.5
135.00813	16.1
135.04427	0.4
136.01158	0.6
137.02312	0.5
138.03189	0.4
149.02367	0.8
149.04510	3.0
149.09641	0.6
151.00301	1.9
152.01111	0.4
159.04466	0.4
161.02438	0.5
161.04480	0.7
166.02638	1.1
167.03453	100.0
168.03812	3.6
191.03416	1.6
191.05545	0.8
209.04556	2.6
233.04501	0.4
234.24442	0.4
251.05659	0.5
253.05174	0.4
257.04468	0.4
269.06848	0.7
285.04224	0.4
297.04153	0.6
298.04797	0.5
299.05423	0.4
311.05389	0.7
313.03644	1.0
313.07285	1.4
341.06516	0.6
355.04691	0.8
355.10440	1.5
385.05511	0.7
404.86322	0.4
415.16159	1.6
439.21844	0.5
457.08691	0.4
475.09106	2.8
475.14786	29.6
476.09662	0.6
476.15262	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	475.1272
Annotation	Scutellarein 6,7-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
51.42451	0.4
57.03333	0.6
59.01264	20.2
61.98729	1.4
69.09117	0.5
71.01276	5.1
71.51546	0.9
73.02839	1.9
75.00784	1.1
85.02863	0.8
87.00778	1.5
88.98703	0.6
89.02348	3.0
93.03349	2.1
94.03674	0.6
96.95926	0.9
99.00794	1.2
99.04434	0.9
101.02348	2.7
107.55180	0.4
109.02883	1.9
113.02364	2.4
117.03387	0.5
119.03436	1.2
119.04962	1.5
121.02892	0.9
125.02383	1.2
130.71660	0.4
132.02119	1.5
133.02916	0.8
135.04456	3.1
137.02357	5.1
137.03166	0.4
138.02698	2.2
139.02893	0.9
145.02931	1.0
149.02393	0.8
149.04460	0.4
151.00372	1.4
152.01111	0.5
161.02417	1.9
161.04547	2.0
167.03491	1.0
167.46602	0.5
175.02440	0.5
177.01962	1.1
179.05595	0.6
183.96619	0.5
189.02069	0.5
191.03667	0.4
191.07262	0.5
191.61934	0.5
193.01437	0.5
195.04553	0.4
202.02731	0.9
204.38316	0.4
204.64679	0.4
205.51469	0.4
209.06064	0.5
213.05580	0.5
225.05638	0.9
237.05591	1.5
238.06435	1.2
239.03557	1.0
249.05795	0.6
250.06490	0.7
251.03421	0.5
253.05067	3.1
254.05823	2.5
255.06752	0.4
265.05157	1.3
266.06015	1.8
267.03226	1.6
268.03854	4.1
269.01471	0.5
269.04449	2.1
271.06201	1.0
278.77115	0.5
281.04630	5.1
282.05402	26.2
283.06042	5.9
293.04626	3.3
294.02097	1.0
294.05399	19.4
295.06119	8.0
296.06686	1.1
297.04285	0.5
297.07764	0.8
309.07764	1.2
311.05716	3.7
312.06479	28.0
313.07263	13.7
313.10983	2.9
314.07535	0.9
314.11008	0.6
325.07178	0.8
325.14572	0.7
327.08893	0.5
337.07358	0.6
343.08392	1.0
349.07318	0.8
355.08173	3.4
356.08810	0.7
367.08585	2.5
385.09436	10.1
386.09778	1.2
397.09473	1.0
415.10727	1.3
415.23511	3.4
416.23694	0.5
431.10159	1.7
439.10019	0.5
439.22766	0.7
445.11496	1.3
457.11887	6.1
457.23849	1.3
458.12241	0.6
475.12720	100.0
475.30319	2.2
476.13031	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	475.126
Annotation	Onogenin 7-O-glucoside
Peak:m/z	Relative Intensity
57.03333	0.3
59.01264	3.5
61.83907	0.1
61.98735	0.2
63.02286	2.3
65.00208	5.6
70.58887	0.3
70.59247	0.4
71.01273	1.0
72.99208	0.2
73.02835	0.3
80.29854	0.1
83.01275	3.6
85.02844	0.4
89.02345	0.5
92.12899	0.2
93.03357	7.3
94.03682	0.3
94.19802	0.1
95.01276	0.2
97.02842	0.2
99.00787	0.2
99.04417	0.3
101.02348	0.6
107.01293	10.8
108.02120	0.4
108.99263	0.2
109.02890	0.3
113.02375	0.5
117.03407	0.8
119.04943	31.1
120.05297	1.1
121.02881	0.5
123.04494	0.2
125.02369	1.9
126.94943	0.2
131.01358	0.2
133.02856	0.2
135.00729	0.3
135.04460	0.2
136.01543	0.4
137.02376	0.5
139.07463	0.1
142.79756	0.2
143.05042	0.2
145.02896	2.2
149.02383	0.4
151.00310	36.3
152.00626	1.5
161.02376	0.4
161.04544	0.2
161.06032	0.2
163.03911	0.3
164.01085	0.6
165.01907	1.6
167.03499	0.2
169.01389	2.2
175.00311	0.9
175.04059	0.2
177.01892	5.6
178.02232	0.2
185.06116	0.3
187.03934	0.4
193.01424	0.7
196.00125	0.2
213.01929	0.4
221.11859	0.6
227.07198	0.6
229.05090	0.2
239.12953	0.3
253.01505	0.3
253.05087	0.4
269.00974	0.9
269.03873	0.2
270.01373	0.1
271.06180	100.0
272.06516	8.1
281.00989	0.8
282.01602	0.3
283.06052	0.2
285.07718	0.1
295.06207	0.6
297.00507	1.4
298.01062	0.4
312.02856	1.2
313.03580	0.5
313.07291	2.0
313.10831	0.3
314.07504	0.2
323.05759	0.3
339.35785	0.1
355.08160	0.2
379.54663	0.2
415.23477	0.4
475.07892	2.5
475.29453	0.7
476.08954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0894
Annotation	5a,11a-Dehydrochlortetracycline
Peak:m/z	Relative Intensity
59.01255	3.7
71.01268	1.5
71.04568	1.4
77.03840	1.4
79.01785	1.3
79.81361	0.5
85.01674	0.5
89.02287	0.7
91.74586	0.6
93.03356	1.2
95.01264	0.6
101.02375	1.2
101.32066	0.5
103.01825	0.6
107.01270	0.6
111.05298	0.6
113.02364	0.8
117.03378	9.6
119.04970	0.9
121.02858	1.1
125.02282	0.7
131.01270	1.1
135.04446	2.3
146.03647	1.5
147.00787	0.8
149.02380	2.3
159.04495	1.4
161.02417	3.7
161.06046	1.1
163.03918	2.2
165.01823	0.6
173.02383	1.2
175.00360	2.9
175.03827	0.5
179.07115	3.3
191.03464	1.3
197.06099	0.8
209.06166	0.6
211.07755	0.9
215.07170	0.7
217.01387	1.3
221.05966	0.6
225.05476	0.7
226.91885	0.5
237.05571	0.8
239.07158	1.1
241.05052	0.6
243.06577	0.7
253.05141	1.2
268.03760	1.4
269.04565	2.4
281.04599	2.4
282.05276	1.1
283.06186	31.2
284.06540	2.4
293.04666	2.6
294.04694	0.6
295.06351	0.8
307.02493	0.7
309.04095	4.2
311.05682	30.9
312.06003	2.3
323.05734	2.1
337.03619	20.2
338.03937	2.4
341.06671	1.4
355.04626	3.8
367.04681	0.7
431.09967	2.2
457.07840	13.5
458.08044	1.8
475.08908	100.0
476.09198	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	475.1255
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
56.17005	0.3
57.42967	0.3
59.01263	13.0
61.98704	0.7
63.84781	0.3
68.47099	0.3
70.61834	0.6
70.62226	0.6
71.01273	1.5
72.99195	0.7
74.69656	0.3
85.02831	0.7
87.00776	1.5
88.98705	1.2
89.02332	1.2
91.00238	0.5
91.01820	0.7
98.20498	0.3
98.72009	0.3
99.00764	0.4
101.02337	1.0
109.02845	0.3
113.02327	0.5
117.03415	0.4
119.04942	0.5
121.02892	0.4
125.02337	0.7
132.02081	1.2
133.02818	0.5
135.00775	0.3
149.02388	0.4
153.01810	0.5
161.04466	0.6
165.01912	0.3
177.01845	0.3
179.05624	0.3
191.03416	0.4
195.04492	0.4
203.03613	0.4
208.05293	1.0
209.06071	0.8
223.04057	1.7
224.04753	1.7
225.05455	0.8
243.06453	0.3
251.03540	1.6
251.09222	0.3
252.04317	19.9
253.05084	100.0
254.05420	6.6
269.08295	1.1
271.06189	0.4
283.06064	0.4
311.05594	0.7
330.23407	0.3
353.06631	0.4
355.07144	0.9
382.21463	0.3
415.10437	20.1
415.19357	0.6
416.10748	1.3
475.09058	2.5
476.09253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.1
61.98713	0.3
62.96288	0.4
65.57706	0.2
69.52830	1.2
69.53243	0.5
71.01254	0.5
78.95796	24.6
98.20532	0.4
122.00062	1.1
134.98466	0.3
140.01129	6.4
152.99519	2.5
191.24359	0.3
196.03792	13.9
214.04884	3.3
233.22774	0.4
259.20700	0.5
275.20157	0.6
277.21790	100.0
278.22131	9.2
353.80222	0.2
474.26395	38.5
475.26758	5.3
475.33932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0893
Annotation	Scutellarein 4'-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
55.29367	0.6
59.01262	7.4
60.99189	7.5
65.00216	0.7
69.51292	1.8
69.51714	3.5
71.01271	5.7
72.99203	1.6
73.02831	1.8
75.00760	1.0
77.03846	3.1
79.01784	2.2
83.01265	1.0
85.02834	1.4
87.00780	2.0
88.00285	3.7
88.98698	52.1
89.02332	11.7
89.02836	0.9
90.01867	0.6
91.00261	1.1
93.03366	2.7
93.35528	0.7
95.01306	0.7
98.19812	1.5
101.02359	1.8
109.02875	1.2
113.02405	1.9
117.03367	9.7
119.04935	1.4
121.02885	3.2
135.04486	1.5
137.02376	0.9
139.10425	0.6
149.02376	0.7
159.04472	3.2
161.02451	4.1
161.04523	1.2
163.00308	0.9
163.03935	2.2
165.01855	3.7
173.06059	0.7
175.00339	0.7
181.05087	0.7
182.03688	0.8
183.04478	2.8
183.08076	1.0
196.05270	1.0
197.06036	2.5
201.05481	0.8
209.05986	1.2
210.06866	0.7
211.07635	1.7
224.04860	1.1
237.05650	1.0
239.07208	3.5
251.59157	0.6
253.05154	1.2
254.05913	1.3
267.07135	1.4
269.04672	7.3
269.10403	1.7
270.05090	0.7
279.06531	1.2
281.04639	10.2
282.05231	4.6
283.06186	82.0
284.06595	6.0
293.04718	3.0
295.06131	8.8
308.03473	0.8
309.04138	2.1
309.07468	0.7
311.05685	100.0
312.06036	8.9
313.07260	1.2
314.04459	3.0
323.05701	13.7
324.05859	1.1
341.06720	29.0
342.06949	2.6
353.06714	2.7
354.07202	0.8
355.04324	0.8
355.08429	1.0
383.07791	0.8
415.16055	2.5
431.09958	26.0
432.10141	3.1
475.08899	93.4
476.09201	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	474.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.2
59.51961	0.2
60.57090	0.3
63.81326	0.3
70.84762	0.6
70.85111	0.5
71.01261	0.3
78.95793	18.2
82.15705	0.3
90.05163	0.3
96.96861	1.3
110.20724	0.3
113.03341	0.3
139.00491	0.3
140.01129	2.7
143.81337	0.3
152.99547	2.9
171.00597	2.3
196.03812	1.3
214.04869	4.0
233.22969	0.4
275.20294	0.3
277.21774	100.0
278.22113	10.7
474.26361	18.0
475.26569	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	473.3645
Annotation	CHEMBL1651033
Peak:m/z	Relative Intensity
59.01241	0.5
59.98395	0.4
68.71310	0.3
71.00984	0.8
82.42621	0.4
112.87497	0.3
171.59332	0.3
180.43336	0.3
189.12837	1.9
191.14368	2.3
205.16000	2.5
207.17535	8.0
208.17862	0.8
219.17625	0.4
220.57249	0.3
242.16626	0.3
265.18134	12.4
265.21021	0.6
266.18445	0.9
267.19696	4.0
321.66153	0.3
365.62640	0.3
409.34894	0.4
413.34445	1.0
429.37460	15.2
430.37772	2.6
473.36469	100.0
474.36835	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	473.3649
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
59.01262	1.9
60.99194	9.4
63.32147	0.7
65.14790	0.7
68.62072	0.7
71.53094	1.2
98.52954	0.7
109.02736	0.8
111.06974	0.8
119.25468	0.8
149.09631	0.8
154.88681	0.9
205.16028	2.8
237.63712	0.9
277.45465	0.8
409.34827	37.6
410.35071	5.8
411.36600	1.4
455.35605	1.6
473.28568	13.4
473.36502	100.0
474.29349	2.3
474.36780	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	474.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93445	0.2
53.97533	0.2
59.01263	0.5
61.98710	0.3
62.96305	0.3
69.80624	0.2
70.01379	0.8
70.01793	0.4
78.95795	100.0
96.96864	8.4
97.74700	0.2
98.19699	0.2
101.29082	0.2
140.01134	0.5
146.97174	0.2
152.99529	17.7
153.99889	0.3
171.00591	21.3
172.00911	0.3
182.19986	0.3
203.13921	0.2
214.04858	0.6
277.21783	3.6
303.62262	0.2
388.08310	0.2
400.22705	2.0
470.25659	0.3
474.26358	64.4
475.17880	1.2
475.26715	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3645
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
57.94706	0.2
58.27014	0.2
59.01260	1.4
59.36964	0.2
75.00767	0.2
85.56698	0.2
88.83138	0.2
98.20642	0.4
109.91253	0.2
121.06507	0.2
143.26575	0.2
207.17641	0.2
219.35625	0.2
221.19095	1.0
229.20088	0.3
261.18732	1.7
277.21808	0.4
413.34528	0.3
429.37604	0.5
473.36502	100.0
474.36826	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	473.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.2
57.03329	0.6
59.01264	100.0
60.01610	1.2
69.03363	0.3
70.67625	0.6
71.01270	1.7
72.99187	0.4
73.02840	0.8
83.01267	0.5
85.02853	0.8
87.00803	0.5
87.04422	0.4
88.98705	0.2
89.02361	0.7
93.03349	0.2
95.01294	0.3
96.95945	0.3
99.00800	0.7
99.04430	0.5
101.02327	1.0
108.02130	0.2
109.02892	0.4
113.02382	0.7
119.03430	0.3
121.02875	0.3
123.08097	0.3
125.02383	0.9
134.41554	0.2
135.04475	0.4
137.02405	0.3
143.10771	0.2
149.02429	0.2
149.06041	0.2
149.09605	0.3
151.00317	0.4
151.04057	0.2
152.00958	0.2
160.44250	0.2
161.02400	0.3
161.04565	0.4
169.07690	0.3
175.11566	0.2
177.01924	0.3
203.05681	0.2
206.61473	0.2
223.12471	0.5
267.11487	0.9
269.04568	1.1
271.06134	0.2
278.04385	0.2
285.04095	0.9
285.17184	0.2
308.99655	0.2
311.05850	0.2
311.09802	0.2
316.14932	0.2
413.22165	0.4
429.28799	1.3
473.15518	0.8
473.27823	3.7
474.28165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
57.03332	1.4
59.01263	100.0
60.01588	1.0
61.98720	1.3
65.00214	0.4
65.69164	0.3
66.58421	0.2
68.31154	0.3
69.03339	0.6
69.17868	1.2
69.18301	2.1
71.01263	2.4
71.04904	0.4
72.99223	0.4
73.02846	1.0
75.00749	0.4
83.01281	1.1
85.02843	1.2
85.06499	0.3
87.00775	0.6
87.04418	0.4
89.02351	0.8
96.95871	0.4
97.02835	0.3
97.06492	0.5
99.00771	2.1
99.04420	0.6
101.02348	1.7
107.87116	0.3
108.02106	0.5
109.02890	0.5
111.08099	0.3
113.02356	0.8
119.03486	0.4
123.04452	0.3
125.02381	1.2
133.02927	0.5
135.04410	0.4
137.02380	0.6
141.09195	0.4
143.10741	0.6
149.04475	0.4
151.00371	0.7
153.01926	0.5
161.04541	0.6
162.69130	0.3
165.03851	0.3
169.12379	0.3
175.04021	0.4
210.60416	0.3
217.05028	1.5
245.27846	0.3
251.16548	2.1
268.03909	0.7
269.04572	8.8
269.07236	0.6
270.05017	1.1
285.04059	5.4
286.04517	0.8
329.06335	0.3
385.30008	0.5
413.21786	0.4
429.28665	3.9
430.29425	0.4
431.23083	0.4
473.11163	0.3
473.12897	0.3
473.27567	6.3
474.28101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63673	0.6
59.01272	3.2
61.08612	0.6
61.41209	0.5
65.98608	0.5
66.74033	0.5
69.61842	0.5
71.01265	1.0
71.93482	0.6
72.28378	0.6
78.85156	0.6
83.32583	0.5
89.02339	1.7
101.02342	0.7
110.27569	0.6
137.09743	0.5
138.69937	0.6
139.11244	3.1
153.12772	1.7
155.99506	0.6
156.97728	1.0
158.65155	0.5
169.68929	0.6
179.05603	0.7
191.18024	2.5
215.92889	0.6
224.14137	0.9
229.38539	0.6
247.20674	2.7
293.21286	100.0
294.21655	8.3
356.86252	0.6
429.33932	1.2
445.68106	0.6
473.32266	5.4
474.32944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01611	0.8
70.17762	0.9
71.01266	0.7
72.05654	0.2
73.02837	0.4
77.71400	0.2
83.79900	0.2
89.02351	0.7
93.03469	0.2
101.02357	0.5
113.02361	0.4
119.04943	0.3
126.21214	0.2
151.00359	0.4
168.13434	0.2
179.05727	0.2
268.03848	0.7
392.11246	0.5
428.82822	0.2
436.46582	0.3
473.10782	0.4
473.27945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26215	0.2
59.01265	100.0
60.01608	0.8
71.01266	0.6
71.46886	0.5
73.02834	0.3
89.02335	0.3
97.33311	0.2
101.02349	0.5
113.02376	0.4
152.01134	0.2
161.04518	0.3
175.19698	0.2
188.55960	0.2
390.61804	0.2
413.21860	0.2
434.01126	0.2
473.28107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08134	0.2
53.99561	0.2
57.03336	0.9
59.01264	100.0
60.01603	1.4
61.98722	0.9
65.72802	0.2
65.96932	0.2
69.03347	0.3
71.01270	3.0
71.04920	0.5
72.99212	0.5
73.02834	2.4
74.06808	0.2
83.01301	1.3
85.02859	1.0
87.00787	0.7
87.04432	0.3
89.02319	1.3
93.03380	0.4
95.01289	0.4
96.95925	1.1
97.02873	0.3
97.06496	0.7
99.00792	1.1
99.04420	1.2
101.02348	3.0
107.01311	0.5
109.02900	0.4
109.06507	0.4
113.02367	1.3
117.03397	0.6
119.03405	0.9
119.04954	0.6
123.08055	0.4
125.02372	1.8
125.09567	0.3
131.03406	0.5
133.02840	0.2
135.04482	0.6
136.01561	0.3
137.02335	0.3
137.06000	0.4
141.09105	0.6
143.03429	0.4
144.04491	0.4
149.02411	0.4
149.04482	0.6
149.06010	0.2
151.00304	0.9
151.03970	0.3
161.02437	0.3
161.04517	1.1
165.05495	0.2
167.03438	0.3
171.04291	0.2
173.11765	0.4
177.01936	0.4
179.07039	0.3
180.06787	0.3
211.03981	0.4
215.69405	0.3
229.51823	0.4
239.03526	0.6
240.04089	0.6
249.09380	0.2
253.05089	0.6
268.03824	15.2
269.04568	10.6
270.04929	0.7
281.04617	0.3
311.05643	0.8
353.06808	0.4
383.07913	0.3
385.29431	0.3
413.22095	0.6
428.56790	0.3
429.16003	0.5
429.28802	2.3
473.10828	10.3
473.21548	0.4
473.27695	6.4
474.11102	1.3
474.27600	0.4
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
52.56218	0.2
54.02659	0.2
57.03352	0.3
59.01265	100.0
60.01603	1.1
61.04636	0.2
61.98715	0.4
63.42214	0.2
66.15609	0.2
69.90912	0.2
71.01264	1.2
73.02856	0.5
74.02372	0.2
83.60362	0.2
85.02843	0.5
89.02348	0.4
98.19815	0.6
99.00800	0.4
101.02367	1.0
113.02377	0.6
121.02841	0.5
125.02378	0.3
139.11215	0.2
161.04572	0.4
192.34103	0.2
203.05573	0.3
206.56189	0.2
209.15508	0.8
222.99174	0.6
261.05667	0.6
313.07761	0.3
371.20889	0.7
401.09000	0.2
413.21802	1.4
473.27747	0.8
481.87619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64996	0.2
57.03331	0.7
59.01264	100.0
60.01596	1.0
60.90382	0.2
61.98730	0.7
68.99710	0.3
69.03348	0.2
71.01270	2.1
71.56419	0.2
72.99201	0.4
73.02841	0.8
83.01288	0.4
85.02860	0.8
86.33247	0.2
87.00771	0.4
89.02345	0.6
93.03310	0.2
96.95927	0.4
99.00777	0.6
101.02345	1.2
109.02882	0.2
113.02370	0.8
115.03952	0.3
119.03457	0.4
119.04993	0.3
121.02876	0.5
125.02413	1.0
130.49020	0.2
132.03014	0.3
135.04427	0.4
137.02405	0.2
157.12186	0.2
161.04494	0.6
163.03897	0.3
177.01930	0.3
219.06717	0.2
253.05269	0.3
268.03857	0.2
269.04578	0.4
269.08310	0.2
283.13483	0.4
285.04080	1.4
311.05679	0.4
340.06113	0.5
351.09109	0.2
352.06104	0.7
353.06793	0.6
359.18695	0.3
370.07141	1.8
385.09335	5.3
386.09714	0.7
411.10953	0.2
413.21765	1.0
473.10910	0.5
473.28146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
59.01264	68.0
60.01602	1.0
61.98711	2.7
69.27984	11.1
71.01270	10.1
72.99190	1.3
73.02831	4.4
75.00793	1.6
76.71780	1.0
83.01270	2.8
85.02832	3.5
87.00771	2.1
89.02342	5.2
93.03393	1.5
95.01266	1.2
96.95896	2.6
97.02883	1.5
99.00787	1.1
101.02336	6.6
113.02324	4.6
117.03352	1.5
119.03429	1.5
119.04922	2.5
121.02850	2.4
122.06059	1.5
123.08056	2.1
125.02380	2.6
133.02882	6.8
134.03615	3.9
135.04459	1.3
135.08046	1.0
137.02356	2.4
137.09587	1.2
149.02425	1.6
149.04448	1.4
149.06059	2.5
150.05553	1.5
151.00307	1.1
152.07143	1.2
154.02553	0.9
161.02376	2.3
161.04453	2.4
163.00311	4.6
163.11208	2.0
165.01883	3.2
177.01836	1.2
185.06131	1.0
189.01912	1.3
189.12813	2.6
191.03485	1.1
201.01927	1.8
207.13887	4.2
225.14877	1.4
241.04999	2.4
253.05074	2.3
255.02977	1.7
265.05219	1.4
268.03601	1.2
269.04556	8.4
281.04608	1.2
282.05316	1.3
283.06213	2.7
284.03333	3.6
295.06131	2.1
297.04135	13.9
297.07382	1.8
298.04892	100.0
299.05386	14.5
309.04202	5.3
309.07288	1.4
311.05588	2.6
323.05487	1.6
326.04382	5.3
327.05167	30.8
328.05502	3.1
330.03772	3.2
337.06973	1.1
353.06561	2.4
365.06873	1.1
369.14630	2.2
383.07861	4.6
387.20370	2.1
409.68640	1.3
413.08884	4.6
429.28455	1.2
430.81674	1.1
473.10986	93.9
474.11227	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	473.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01613	0.8
61.98726	0.8
69.14401	0.3
71.51223	0.6
73.03263	0.4
96.94005	0.3
97.39520	0.3
135.04480	0.4
210.14561	0.4
227.71658	0.4
267.19098	0.4
435.14514	0.5
473.32822	2.5
474.33710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38293	0.2
54.77059	0.2
55.01781	0.3
57.03323	0.2
59.01266	7.6
61.98725	1.3
63.02264	0.2
69.40582	2.1
71.01269	3.1
73.02844	1.6
75.00748	0.3
77.03857	0.3
79.01773	0.3
83.01283	0.8
85.02848	1.5
87.00764	0.6
89.02344	1.5
93.03358	28.1
94.03703	0.8
96.95925	0.7
97.02873	0.4
99.00794	0.7
101.02362	2.5
103.03930	0.3
109.02826	0.3
113.02337	1.2
117.03342	2.1
119.04981	0.6
121.02878	0.8
125.02370	0.3
130.66545	0.2
133.02878	0.6
135.04459	0.3
137.02377	100.0
138.02722	3.4
149.02414	0.3
159.04427	0.3
161.02338	1.2
161.04523	0.9
163.00333	0.4
163.03999	0.5
167.06055	0.4
175.02460	0.4
179.03546	0.3
221.10338	1.5
222.06729	0.7
222.10628	0.3
225.05609	0.4
236.08279	0.6
261.78595	0.3
268.03745	1.2
269.04587	4.4
270.04709	0.3
281.04599	1.1
282.05179	0.5
283.06192	7.3
284.06522	0.7
293.04700	1.4
295.06244	0.6
308.07129	0.3
311.05682	13.7
312.06052	1.5
323.05740	1.4
335.13367	0.5
341.06757	2.1
350.77805	0.3
351.11212	0.3
353.06766	0.6
353.14667	0.5
369.14441	0.3
413.09491	2.6
413.21664	0.3
414.09805	0.3
431.09766	0.4
462.17102	0.3
473.10947	7.6
473.16904	6.0
473.27258	0.4
474.11334	0.9
474.17133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74883	1.3
53.77083	1.7
57.03332	3.3
59.01265	100.0
61.98695	2.9
65.85753	1.4
67.95592	1.4
69.03331	4.0
71.00903	2.6
71.01270	35.2
72.99191	3.3
73.02836	37.7
75.00754	3.1
83.01280	14.1
85.02847	7.9
87.00768	2.3
89.02348	11.4
93.03365	4.6
95.01269	2.3
97.02857	2.5
99.00746	4.3
101.02346	34.2
101.03011	1.9
104.47605	1.3
113.02353	14.5
117.03380	3.4
119.03419	6.1
119.04910	1.5
121.02867	14.2
122.03639	2.8
125.02362	2.3
131.03419	2.3
135.04411	1.5
137.02353	7.0
137.06018	4.1
143.03426	2.9
149.02304	1.3
149.04463	4.4
160.03972	1.6
161.02420	1.5
161.04509	7.6
164.04724	4.9
165.01875	2.0
179.07001	3.2
179.10669	1.6
185.00795	1.5
249.06276	2.2
267.07120	1.5
268.03641	1.9
269.04712	4.7
281.04529	3.5
283.06189	19.5
284.06577	1.7
295.05984	3.4
307.23929	1.6
311.05658	28.3
312.06009	4.3
323.05634	6.2
324.06281	2.0
325.07181	3.2
341.06696	8.6
353.06668	8.2
383.07739	6.2
397.24777	1.6
413.09027	3.1
413.22034	2.2
473.10852	32.4
473.16888	13.6
473.27573	4.1
474.11255	4.2
474.17474	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	471.349
Annotation	Odoratone
Peak:m/z	Relative Intensity
57.03354	0.7
59.01268	2.0
61.98711	0.6
71.04931	0.4
71.52196	0.5
76.11298	0.3
87.04427	0.3
88.14371	0.3
97.06473	0.4
125.09642	1.9
151.55107	0.4
170.86082	0.3
187.09801	1.3
221.19115	0.9
265.18088	0.6
283.19299	0.5
302.03482	0.4
353.09021	0.4
427.32593	0.5
435.14551	1.1
471.35019	100.0
472.35321	17.6
482.29855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3491
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
54.27343	0.1
59.01250	0.6
70.73074	0.4
80.93979	0.1
83.04906	0.1
83.49429	0.1
94.73744	0.1
97.61655	0.1
114.26716	0.1
114.49454	0.1
172.53322	0.1
200.70358	0.1
203.14409	0.2
225.99023	0.2
247.17137	0.2
264.61398	0.1
395.29788	0.4
407.33511	0.3
409.31287	0.6
411.32779	6.2
412.33066	0.9
425.34518	0.5
427.35892	0.4
453.30313	0.1
455.31854	0.8
471.34915	100.0
472.35278	17.5
472.42172	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.349
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.67525	0.3
59.01263	1.9
59.03255	0.3
59.98460	0.4
60.99206	0.8
61.42673	0.3
61.53997	0.3
61.98720	0.4
63.28943	0.4
71.01287	0.3
71.53395	0.6
78.95781	0.3
105.21692	0.3
106.89397	0.3
119.99203	0.4
121.09525	0.3
176.75063	0.4
203.14317	0.5
205.15822	0.4
242.43346	0.4
265.18146	0.5
322.23721	0.3
378.72952	0.4
407.33405	1.8
408.33713	0.5
423.32855	0.8
425.34323	0.5
427.32062	1.4
427.36707	0.9
436.38797	0.4
441.33917	0.9
453.33893	1.1
471.34964	100.0
472.35364	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	471.3487
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
53.93391	0.1
58.31179	0.1
59.01245	0.3
59.81477	0.1
61.98706	0.1
70.67665	0.2
70.67999	0.2
80.41676	0.1
84.03904	0.1
90.29985	0.1
104.78850	0.1
145.04073	0.1
379.95825	0.1
385.96307	0.2
392.36850	0.1
393.31732	0.4
398.61728	0.1
405.32004	0.1
460.10309	0.1
471.34888	100.0
472.35229	16.9
472.42197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3491
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
59.01136	0.6
59.01453	0.4
60.99077	0.4
60.99358	0.3
61.98627	0.2
65.25142	0.2
71.04781	0.4
71.54658	0.4
83.04775	0.3
85.06363	0.3
97.06315	3.3
97.07008	0.5
113.01052	0.2
137.09537	0.3
177.80737	0.2
229.29483	0.2
233.10873	0.2
327.87781	0.2
373.25073	0.3
374.26108	0.5
375.26874	0.4
389.28720	1.2
391.30228	4.7
392.30295	0.9
403.29922	0.3
405.31714	4.0
406.32022	0.6
407.33307	8.8
408.33572	1.8
420.11130	0.2
423.29126	1.0
425.34485	0.4
435.14462	0.3
437.30872	0.5
439.32141	0.3
441.33774	1.7
442.34048	0.3
451.32242	10.7
452.32581	1.9
453.33841	43.0
454.34186	7.2
454.40561	0.2
471.34915	100.0
472.35254	16.1
497.32666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01614	1.1
61.98724	0.3
70.67068	0.3
71.01257	1.2
73.02841	0.7
75.00767	0.4
83.01286	1.0
85.02866	0.4
87.00782	0.3
89.02343	0.5
101.02351	1.0
109.02881	0.2
113.02390	0.6
116.48380	0.2
119.03448	0.2
133.37221	0.1
143.03470	0.2
149.04501	0.3
149.06026	0.2
151.00377	0.2
151.03899	0.1
160.03996	2.6
161.04401	1.9
179.05721	0.2
202.77681	0.2
205.03368	0.2
242.61981	0.2
268.03821	0.3
271.06339	0.2
284.15979	0.2
305.08905	0.2
471.11600	0.6
471.29626	0.3
471.35220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64744	1.9
55.57059	1.7
59.01255	4.9
61.02489	1.8
69.96812	7.3
71.01254	1.9
277.21783	100.0
278.22156	8.9
318.77429	1.9
399.59317	1.9
407.11075	1.9
471.35098	45.0
472.35147	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	471.3488
Annotation	Odoratone
Peak:m/z	Relative Intensity
53.57690	0.1
57.03368	0.1
58.32516	0.1
59.01258	0.6
61.98715	0.2
66.28957	0.1
83.60861	0.1
135.65405	0.1
166.88788	0.1
391.30197	0.6
392.30777	0.2
423.32840	0.4
462.60403	0.2
469.33121	0.2
471.34918	100.0
472.35272	16.3
472.42230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3489
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
50.05779	0.3
59.01269	1.5
60.99181	0.7
61.98715	0.3
69.78374	1.4
70.96995	0.3
71.04901	1.4
85.06461	0.4
97.06489	4.7
98.20456	0.4
115.89233	0.3
137.09630	0.3
256.45325	0.3
337.64334	0.3
355.26160	0.3
373.24960	0.3
374.26160	0.6
375.27026	0.4
377.28842	0.4
389.28555	2.1
390.29105	0.4
391.30157	6.2
392.30389	1.0
397.84766	0.3
405.31738	6.2
406.32010	0.9
407.33258	12.9
408.33502	1.7
423.28986	1.5
425.34506	0.3
437.30798	1.7
439.32156	1.9
441.33774	5.0
442.34119	0.7
451.32288	15.5
452.32727	2.3
453.33826	69.4
454.34161	12.0
454.40750	0.5
471.34927	100.0
472.35291	17.2
483.31165	0.3
497.32730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
61.98700	4.6
62.86927	2.2
70.50475	8.1
71.01272	30.4
72.99203	3.6
73.02843	19.4
83.01263	7.9
85.02829	7.3
87.00770	2.1
88.98706	3.1
89.02348	6.6
91.60030	2.0
95.01291	3.3
95.04942	3.4
96.00802	3.5
97.02843	4.0
97.84519	2.2
101.02345	16.9
106.77456	2.1
107.01361	2.5
109.02916	4.1
113.02377	15.6
117.03354	6.6
119.03426	4.7
119.04928	3.5
121.02804	2.6
125.02390	3.2
135.04477	3.9
136.05304	2.6
137.02335	4.1
138.06790	10.9
139.07536	4.8
147.04417	6.2
151.07578	13.9
152.08376	21.9
153.09164	70.3
154.09492	3.5
161.04497	5.8
164.07065	4.1
165.07454	2.4
175.03957	3.6
188.07164	16.7
189.01831	2.8
189.07504	17.0
189.09151	3.6
191.03493	3.6
205.12320	28.0
206.12556	2.2
223.13322	14.3
235.02310	2.3
283.06027	3.0
295.06290	3.5
307.06189	6.0
323.05722	2.7
324.91693	2.5
351.05075	5.4
367.17657	14.4
381.06259	4.6
385.18826	6.2
427.19724	9.5
471.09348	29.4
471.15817	11.3
471.34796	9.0
472.09732	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	469.3331
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.96247	0.8
59.01262	1.6
71.21919	1.8
81.44765	0.8
82.17921	0.9
83.60355	0.8
146.25485	1.1
148.26588	0.9
156.33992	1.0
161.43301	0.9
167.47476	1.0
189.12805	0.9
212.26541	0.9
233.15474	1.1
381.31851	5.1
386.34369	0.9
393.09998	1.0
395.29663	3.2
397.30893	20.6
397.35022	3.1
398.31418	2.7
408.58524	1.0
425.34473	4.7
469.33279	100.0
470.33578	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3334
Annotation	Lantic acid
Peak:m/z	Relative Intensity
59.01266	0.3
70.12835	0.7
94.12717	0.2
124.85523	0.2
128.11411	0.2
152.99533	0.2
217.60706	0.2
239.41919	0.2
241.21893	0.3
267.17599	0.2
289.21829	0.7
326.11795	0.2
340.09644	0.2
393.27924	2.5
393.32480	0.2
394.28387	0.3
407.29578	3.5
408.29837	0.5
409.31158	3.1
410.31638	0.5
421.31219	0.5
423.32779	74.1
424.33096	11.5
424.39032	0.3
425.34412	1.2
469.33313	100.0
470.33691	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	468.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56768	0.8
59.01261	12.2
60.01602	1.9
60.14232	0.9
61.01694	2.6
61.98719	100.0
70.02141	4.0
71.01270	0.9
71.61125	0.9
73.80693	0.7
73.84557	0.7
84.86920	0.8
89.02342	1.9
95.02351	0.8
101.02357	1.0
105.99722	0.8
111.00047	1.0
113.02379	0.9
140.07118	1.9
165.01857	1.2
176.19016	0.8
178.62747	0.9
195.06700	1.1
216.99718	1.0
223.37323	0.8
260.95145	1.0
262.78790	1.0
271.41266	1.0
271.67783	1.1
479.42850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47217	0.5
59.01252	1.3
61.98708	2.1
71.01254	0.7
71.51093	0.5
71.51507	0.7
76.46343	0.5
79.05424	0.7
91.87707	0.5
107.04918	0.8
109.02852	1.2
121.02811	1.3
133.02904	1.3
148.01591	7.3
149.02365	0.8
150.03171	1.9
163.03941	1.0
177.02010	0.7
197.05960	0.6
211.07568	0.8
213.05536	0.7
215.03511	0.9
215.07039	0.6
217.08710	2.8
229.04930	0.7
230.05780	0.7
241.05055	1.0
253.04951	0.7
254.05923	0.6
255.06641	1.7
256.07306	1.0
258.05328	0.9
267.06631	3.5
268.06873	0.7
269.07025	0.6
275.13000	5.9
277.05075	1.7
277.08490	1.0
289.05161	0.8
289.08713	0.8
291.10352	0.9
293.04767	1.2
293.08170	0.7
303.10239	0.9
305.04605	1.1
305.08154	1.2
307.09842	0.7
309.10504	0.7
319.09695	2.4
320.10416	0.9
321.03973	3.0
321.07513	1.2
323.05609	1.8
323.09326	1.5
331.09860	2.2
332.10489	0.8
333.04129	11.1
333.07928	1.1
334.04617	1.5
335.09378	1.2
336.06265	1.4
337.11057	0.9
345.07767	0.7
346.08496	0.7
347.09314	2.6
348.10019	2.0
349.07095	1.2
349.10947	2.1
351.08817	1.0
359.09238	1.0
361.07043	0.8
363.08908	3.4
364.09567	11.2
365.10196	3.8
368.05362	0.7
375.08804	7.7
376.09604	15.7
377.10172	2.5
379.11978	3.2
391.11972	60.6
392.12268	7.1
393.09933	3.3
394.10391	3.0
416.12766	0.8
424.15234	1.3
431.14978	3.4
434.13788	2.6
436.15164	1.5
439.17758	0.6
449.16208	6.7
450.16428	1.1
452.14801	15.1
453.15259	1.8
467.17181	100.0
468.17563	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	467.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	37.8
58.00472	1.1
58.03683	1.0
59.01265	26.1
61.98719	2.2
71.01270	9.6
71.51579	0.6
72.99215	1.5
73.02830	2.2
75.00742	0.5
79.95622	0.6
83.01287	0.8
85.02850	1.6
87.00776	0.7
89.02329	5.0
99.04424	18.8
101.02353	14.5
113.02342	1.4
119.03429	1.3
121.02849	0.5
125.02374	8.2
126.02718	0.5
127.11161	0.5
135.04436	0.5
143.03448	0.7
145.07657	4.0
149.02274	0.6
159.09216	0.8
160.06360	11.1
161.04510	12.1
161.07150	40.3
162.07483	2.0
171.10240	12.9
172.10674	0.5
173.07181	0.6
173.10806	1.7
175.08725	27.9
176.09081	2.2
185.10754	1.9
187.08725	5.4
189.06670	70.5
190.07014	4.3
199.08781	0.6
201.10318	6.5
202.10526	0.5
203.08250	34.6
203.11836	8.1
204.08540	1.7
217.09828	0.8
229.09857	17.2
230.10190	1.0
253.09267	0.9
277.11957	3.9
287.16638	1.6
295.12939	0.5
301.42795	0.4
305.11505	56.6
306.11841	5.5
323.12555	100.0
324.12833	7.7
365.13599	13.2
366.13812	1.8
405.16794	1.8
407.19040	2.1
467.08575	2.0
467.16650	5.5
467.22882	0.8
468.16763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1723
Annotation	Nigrasin J
Peak:m/z	Relative Intensity
56.63091	0.3
56.98260	0.3
59.01268	2.4
66.24726	0.5
71.26568	0.3
98.20551	1.4
132.57825	0.3
148.01602	3.8
149.02405	0.7
155.90324	0.4
174.03145	1.1
177.01952	0.5
201.01889	0.9
202.02733	2.6
203.03444	1.2
204.04225	0.5
211.07677	0.5
213.18965	0.4
218.40088	0.3
229.91649	0.5
232.13341	0.4
233.13103	0.3
236.04900	0.4
238.06335	0.7
239.07068	2.0
240.04610	0.5
240.07664	0.4
241.05026	0.4
253.05060	0.4
255.06693	2.8
256.06976	0.4
256.81125	0.4
265.05060	0.9
265.07623	1.0
266.05777	1.9
267.06635	2.6
267.09232	1.7
268.03839	0.7
269.04407	0.5
281.04605	0.5
282.05411	1.3
282.27625	0.4
283.06122	4.8
293.04712	0.8
294.05533	0.5
295.08813	1.0
296.03369	2.8
297.04178	0.4
297.07700	0.6
298.08536	1.5
309.04337	0.9
309.10300	9.4
310.04865	8.1
310.10562	0.4
311.05612	12.1
312.06454	24.7
313.06903	2.4
325.07224	7.5
326.07932	5.8
327.08762	6.7
330.07123	0.4
335.09106	0.6
344.05399	0.5
358.07007	9.0
359.07300	1.0
363.08710	0.7
364.09552	3.8
379.11771	2.9
380.12277	0.6
381.09836	5.5
382.10608	4.2
389.16583	0.6
396.12238	2.1
397.12985	4.9
398.13147	0.6
407.17538	1.2
428.11151	9.2
429.11707	1.3
434.13809	0.8
449.16275	1.1
452.14664	1.4
467.17184	100.0
468.17526	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	467.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.3
59.01263	29.7
61.98716	4.3
71.00901	1.0
71.01269	11.3
71.51449	1.0
72.99197	1.5
73.02837	5.1
77.39666	0.7
82.29488	0.9
83.01281	1.8
85.02835	3.9
87.00772	2.3
89.02333	5.9
93.03366	1.7
95.01259	0.9
99.00756	1.9
99.04410	1.7
101.02357	8.3
113.02365	6.3
115.03943	0.7
117.05491	41.4
119.03408	1.8
119.04942	1.0
121.02833	0.8
125.02336	1.6
130.93629	0.6
133.02939	1.4
134.03648	1.8
135.04391	0.8
137.02367	2.6
138.02730	0.9
149.02400	0.7
149.04678	0.6
149.06033	1.2
150.03168	2.3
151.03935	1.1
151.07611	0.8
152.01115	0.7
159.03014	0.8
159.04498	1.5
161.04489	2.8
165.05508	1.9
175.08774	0.8
178.02611	0.8
179.05522	1.1
181.24728	0.7
193.04999	1.0
195.06609	1.1
213.92281	0.7
224.04810	1.1
224.78586	0.7
235.11818	1.9
268.03793	4.9
269.04611	100.0
270.04953	6.9
275.15085	0.9
287.16492	1.1
305.11600	1.2
305.23227	0.9
314.00742	0.7
321.19193	2.4
323.12500	1.5
334.19366	0.8
349.14978	5.4
367.16171	10.5
407.19360	2.4
425.08899	3.1
431.09824	2.0
466.23874	1.0
467.23676	1.3
467.28903	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	466.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.2
58.00452	0.4
59.01265	7.9
60.05642	0.4
61.98713	1.7
71.01273	4.0
72.00779	2.0
72.99197	0.8
73.02837	1.5
73.53728	0.4
79.95628	16.5
80.96410	3.6
81.03413	0.4
82.02867	0.4
83.01269	0.7
83.04924	0.5
85.02850	1.2
87.00761	1.2
89.02337	2.2
93.03360	1.5
98.02375	0.6
98.20509	0.8
99.00803	0.5
99.04430	1.5
100.00317	3.5
101.02338	4.3
107.04916	2.2
109.02862	0.7
113.02375	1.0
117.03400	0.6
119.04942	17.5
120.05264	0.7
121.02847	1.7
123.00756	0.5
123.04496	0.4
125.02370	2.0
131.03519	0.5
133.05272	1.3
134.06055	8.3
135.04446	1.2
137.02351	1.1
141.01852	1.2
147.04427	0.5
149.02391	13.3
150.03090	0.8
151.00374	0.4
151.03897	0.9
152.01033	0.7
160.06389	1.0
161.02380	0.6
161.04518	1.5
161.07094	3.0
163.03960	15.1
164.04742	21.4
165.05434	1.6
171.10242	3.7
175.00337	2.8
175.08719	1.9
176.01079	0.6
177.01878	2.1
178.02184	0.6
178.05058	0.8
178.06357	4.4
179.07101	15.5
180.06577	4.7
189.06664	6.0
190.02705	12.2
191.03334	1.5
192.04346	0.6
193.03770	1.0
193.07544	0.5
199.00626	0.6
203.08304	2.1
205.05064	16.3
206.04565	14.9
207.04901	1.1
207.06688	0.8
208.06136	3.2
208.48276	0.4
214.01770	6.4
215.00264	0.8
215.02112	0.7
217.98766	0.5
220.06155	1.4
229.09814	1.3
234.07716	0.8
236.09229	1.0
260.02475	0.5
280.08286	0.6
283.09738	0.5
305.11496	5.2
312.08853	1.8
323.09106	0.9
323.12564	9.2
323.16232	0.3
326.10556	0.5
327.11169	7.0
342.13528	4.8
343.14047	0.7
365.13638	1.1
386.12521	4.0
387.12796	0.5
407.19406	1.2
422.09280	6.7
423.09677	1.1
465.24222	0.6
465.31030	2.0
466.08218	100.0
467.08542	10.9
467.15161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
58.00468	0.3
59.01265	100.0
60.01604	1.1
71.01270	6.3
71.32930	0.2
72.99220	0.4
73.02846	0.2
80.03189	0.2
85.02867	0.5
87.00774	0.6
89.02337	12.3
89.81916	0.2
95.01300	0.4
101.02343	5.1
101.39052	0.2
108.26112	0.2
113.02357	3.2
119.03414	6.3
119.04240	0.3
120.03772	0.2
122.20223	0.2
125.02425	0.2
131.03484	0.9
139.13252	0.2
140.07120	0.8
143.03441	1.5
148.65025	0.1
149.04515	0.7
161.04507	2.2
162.14453	0.2
163.94579	0.2
167.10751	0.5
179.05588	5.8
242.82065	0.2
366.63058	0.2
384.97894	0.2
405.21387	4.6
405.26334	0.3
406.21927	0.5
408.05716	0.2
449.20764	0.4
465.23386	2.2
466.23972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.8
57.03339	4.2
58.00484	1.7
59.01265	100.0
60.01609	1.1
61.98740	0.7
71.01273	32.7
71.31265	1.2
72.01615	0.7
72.99205	2.3
73.02834	1.7
78.74189	0.5
81.03349	3.5
83.01294	2.0
85.02844	7.6
87.00783	2.4
89.02338	42.8
90.02687	0.7
95.01309	2.3
99.04417	11.6
101.02348	17.8
107.09758	0.6
109.06637	0.6
113.02362	16.5
119.03420	19.7
119.04875	0.8
125.02360	0.9
125.09708	1.7
127.07615	0.8
131.03452	2.4
134.07353	0.6
137.09628	0.6
141.37560	0.6
143.03436	5.8
148.13557	0.7
149.04530	2.3
149.09657	8.2
161.04497	5.9
165.30843	0.6
167.10727	14.9
167.12076	1.0
168.11145	1.2
169.81708	0.6
179.05577	17.2
180.05954	0.7
207.13857	0.7
225.14949	5.3
238.24040	0.6
243.16100	1.2
305.16150	0.8
405.21381	53.9
406.21756	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	465.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.8
58.00469	2.3
59.01264	100.0
60.01602	1.0
61.98722	2.4
68.21502	0.4
69.48475	3.3
71.01270	34.9
71.23830	0.4
71.92098	0.4
72.01616	0.6
72.99193	2.0
73.02822	2.5
75.45835	0.4
78.60346	0.4
78.95785	1.2
83.01284	1.7
85.02842	5.5
87.00774	2.1
89.02335	50.5
90.02703	0.5
95.01263	2.6
98.20543	0.5
99.00776	0.9
99.04472	0.8
101.02346	24.1
102.02694	0.5
113.02354	18.7
117.97367	0.4
119.03416	21.6
120.03802	0.5
125.02382	1.0
131.03433	2.6
143.03427	4.4
149.04561	2.4
149.09666	8.1
151.00320	0.5
154.29199	0.4
159.02904	0.5
161.04517	6.5
163.11238	0.8
167.10727	16.5
168.11069	0.6
179.05573	13.6
180.05858	0.5
181.12355	2.0
193.01491	0.5
207.13904	1.0
225.15022	3.9
241.05154	0.7
243.16040	5.3
267.07092	0.5
285.04193	1.2
285.12790	0.9
303.05154	1.1
375.20349	0.6
405.21375	72.8
406.21744	7.3
465.10498	0.7
465.23434	1.6
466.15048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.7
58.00476	2.1
59.01263	100.0
60.01607	1.1
61.98721	7.0
69.33680	1.0
69.34083	4.2
71.01269	33.7
71.04913	0.6
72.99190	2.4
73.02845	2.3
75.00763	1.0
81.03369	0.9
83.01295	1.3
85.02836	6.2
87.00764	2.4
89.02335	36.6
90.02679	0.9
94.84811	0.5
95.01296	2.0
97.02909	0.6
99.00774	1.0
99.04424	0.7
101.02343	21.1
109.02868	0.8
113.02355	14.6
114.02695	0.6
119.03414	16.7
119.04250	1.0
125.02380	1.5
125.09620	0.5
131.03461	1.4
143.03421	4.2
149.04521	1.4
159.02980	1.0
161.04494	9.7
167.03474	1.4
179.05565	13.5
193.01553	0.5
210.64503	0.7
231.24832	0.5
242.93092	0.5
243.16096	2.1
249.33188	0.5
285.12604	2.1
303.05032	0.7
303.08643	0.5
397.80521	0.5
405.21368	51.3
406.21707	6.0
465.10162	0.6
465.23663	0.7
466.19473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33359	0.2
57.03328	0.4
58.00488	0.2
59.01265	100.0
60.01599	1.0
61.98716	0.3
63.46286	0.2
70.42928	0.9
71.01270	6.0
72.99203	0.4
85.02860	0.6
87.00771	0.4
89.02341	10.1
95.01286	0.3
98.79713	0.2
101.02351	3.5
113.02357	2.4
118.44628	0.3
119.03427	4.3
131.03444	0.5
140.07158	0.9
143.03445	1.3
149.04526	0.5
161.04552	1.4
166.05107	0.4
167.10823	0.5
179.05569	4.0
179.07019	0.3
212.16628	0.2
247.73459	0.2
391.89673	0.3
405.21359	3.2
406.21677	0.3
449.20444	0.3
465.23642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27647	1.0
56.93254	1.0
57.03334	10.0
58.00486	3.3
59.01265	100.0
60.01618	1.8
61.98716	58.7
70.85815	2.9
71.01270	48.2
72.99197	4.2
73.02829	2.7
75.00758	2.2
78.95789	2.6
81.03355	1.2
83.01286	2.6
85.02847	9.4
87.00768	4.4
89.02337	61.3
95.01269	2.1
99.00797	1.8
101.02353	26.3
112.05219	2.2
113.01544	1.3
113.02355	21.5
114.05479	1.3
119.03419	28.1
119.04830	1.2
125.02378	5.1
131.03398	4.3
133.90230	1.3
134.07315	1.9
137.02377	1.9
137.09659	2.2
139.07590	1.5
141.01834	1.4
143.03436	5.7
149.02397	1.0
149.04430	2.6
149.09665	28.5
150.09901	1.9
151.00269	2.0
151.03906	1.3
153.01823	1.2
160.03990	4.1
161.04504	10.9
161.43736	1.1
161.56940	1.3
165.01868	1.2
167.03459	3.9
167.10733	62.4
168.11053	3.1
177.01909	2.5
179.03374	1.1
179.03775	1.3
179.05548	24.5
179.06981	1.9
193.01405	2.7
195.13860	2.0
207.13945	2.0
225.14986	16.1
243.16087	2.0
285.04089	3.4
303.05203	4.2
303.08798	3.2
304.99863	1.1
405.21362	60.9
406.21609	4.8
447.09061	2.3
462.85397	1.2
465.09695	5.7
465.19702	4.6
465.27151	1.4
466.08252	2.3
466.20386	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	465.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	16.3
58.03688	0.3
59.01263	3.3
61.98698	0.4
70.56655	0.7
71.01295	0.7
73.02814	0.3
78.31305	0.2
81.03362	0.9
83.01290	2.6
85.02851	0.3
87.00754	1.0
93.03363	0.5
93.65701	0.2
101.02340	0.5
102.27276	0.3
109.02882	0.3
113.02327	0.4
115.00287	1.2
121.02877	3.5
123.00777	0.3
123.04407	0.3
124.01608	1.2
125.02369	100.0
126.02707	3.1
131.03329	0.2
137.02388	0.9
139.03978	0.2
148.01607	1.3
149.02380	5.5
149.03552	0.3
150.02895	0.3
151.00356	0.5
151.03931	1.3
161.04448	0.3
165.01875	2.0
165.05612	0.4
175.02460	3.2
176.01106	3.3
176.02563	0.3
177.01894	98.1
178.02246	3.9
193.05009	0.4
215.03748	0.3
302.04147	0.3
303.05133	2.1
303.08786	0.8
303.21967	0.3
339.07269	59.1
340.07602	3.5
401.17999	0.2
464.26013	0.5
465.10406	17.5
465.27130	0.9
466.10739	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	465.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
59.01260	6.5
61.98704	4.5
71.01265	1.9
71.39709	0.8
71.40036	0.6
77.87386	0.7
83.04926	0.9
85.02851	0.7
87.00771	100.0
88.01109	1.0
89.02346	0.7
97.06481	0.9
101.02325	1.3
103.00195	0.7
106.26379	0.6
110.40990	0.6
113.02356	1.3
121.02848	1.7
122.03651	3.1
125.02380	0.9
130.99785	52.0
135.04474	0.6
137.02400	1.3
147.04506	1.3
149.05988	0.7
152.99544	0.7
154.02528	0.7
158.03674	0.7
162.03160	0.9
165.05548	0.8
172.05241	0.8
173.06036	5.3
174.06706	1.0
175.07578	1.2
178.02551	0.6
187.07648	1.3
188.04689	0.7
189.09120	0.7
199.04022	1.0
200.08398	0.9
201.05472	0.7
201.09105	0.9
202.06161	0.7
203.07153	1.7
211.13376	1.8
214.06354	1.0
215.07230	1.1
216.94255	0.7
217.08702	2.2
218.09502	3.3
227.07101	2.3
228.07903	3.2
229.08717	1.2
243.10332	0.9
254.04350	57.9
255.04718	3.6
265.12152	0.6
287.16537	0.8
297.14954	1.5
315.16019	2.1
333.17151	0.7
343.15717	0.8
348.31827	0.6
387.14676	1.5
447.16583	7.0
465.17737	42.5
465.32330	5.7
466.17960	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	465.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
57.03337	1.5
59.01265	7.3
61.98724	2.7
62.83376	0.3
62.97201	0.3
63.02297	1.4
65.00209	18.2
66.00582	0.4
68.99694	0.4
69.57160	2.5
71.01277	3.7
75.00755	0.8
78.91767	1.0
80.14587	0.3
80.39299	0.3
81.03367	0.5
83.01276	7.8
85.02850	0.6
87.00784	0.4
89.02326	2.8
93.03345	0.3
95.01284	1.0
95.04934	0.6
97.02850	2.4
101.02364	1.9
107.01297	24.8
107.04948	0.3
108.02127	0.7
109.02847	1.0
113.02376	1.1
119.03442	1.0
119.04958	0.4
120.97075	0.4
121.02820	0.9
122.03680	1.6
123.00824	0.6
123.04446	10.7
124.01594	1.5
125.02370	11.3
133.02879	4.1
135.04446	2.5
137.02382	2.1
139.03929	0.6
141.01857	0.4
147.04480	0.7
148.01517	0.5
149.02373	2.6
150.03174	9.2
151.00308	100.0
151.03937	21.7
152.01064	5.9
152.04253	1.0
153.01810	0.5
160.04036	0.5
161.04485	0.5
161.05992	0.4
163.03966	0.6
165.01839	0.9
166.02623	0.6
169.01369	2.9
174.03169	0.7
175.03972	2.3
176.01097	1.2
177.01883	1.5
178.99837	6.5
179.05551	0.6
180.00177	0.6
185.06049	1.0
189.05569	0.6
197.05983	0.6
198.03235	0.6
199.04019	2.6
201.01884	0.6
201.05356	0.9
202.06400	0.4
204.04303	0.4
213.05533	0.8
215.03609	0.6
217.05069	1.8
217.08794	0.4
219.06599	0.5
220.07384	1.4
229.04987	0.8
235.09811	0.8
241.05003	1.9
243.02875	0.7
244.07457	1.0
257.04532	1.4
259.06165	0.4
259.09836	0.5
267.02997	0.6
284.03125	0.5
285.04102	56.4
286.04462	4.8
286.07526	0.6
302.04230	0.6
303.05130	2.9
303.08792	10.9
304.09006	0.8
313.09323	1.9
327.08826	1.2
339.07281	3.6
374.14481	0.5
375.15115	0.4
405.21237	1.3
447.09274	0.9
465.10413	20.4
466.10779	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	465.1048
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
50.24506	0.3
55.01770	0.9
57.03334	8.2
58.87634	0.4
59.01263	14.6
60.01603	0.5
61.98710	2.2
65.00206	0.7
68.99684	0.5
69.03344	1.5
70.89433	1.0
71.01266	8.6
72.99191	1.7
73.02824	2.7
75.00763	1.9
81.03342	0.9
83.01285	2.9
85.02840	4.3
87.00769	1.8
89.02334	5.0
95.01276	2.1
96.95945	0.5
97.02861	2.5
99.00778	29.2
100.01099	0.4
101.02347	4.8
107.01273	0.6
108.02080	0.4
109.02867	1.5
111.00792	9.1
113.02349	4.9
119.03427	1.7
119.04903	0.9
120.28746	0.4
121.02894	1.8
123.00780	6.0
123.04490	0.5
124.01576	1.7
125.02364	59.2
125.09631	2.3
126.02718	1.4
131.03415	0.9
133.02861	1.1
135.02946	0.9
135.04460	0.8
137.02425	2.0
139.00288	12.0
140.00803	0.8
141.01865	100.0
142.02213	2.7
145.02969	0.4
148.01578	1.2
149.02380	2.9
149.04410	0.4
149.06012	0.5
150.03136	0.5
151.00298	2.0
151.03979	1.2
152.01039	0.5
153.01907	0.4
159.03233	0.5
159.04445	2.7
161.02386	2.8
161.04514	1.5
162.03166	1.0
163.03970	0.7
165.01843	2.6
168.00552	0.4
171.04601	0.4
173.06070	1.6
174.03085	0.5
175.02464	0.6
175.03969	1.5
176.01123	1.5
177.01891	37.9
178.02364	1.8
179.03473	2.0
179.05565	1.4
187.04050	0.6
188.04713	0.5
189.05566	1.1
191.03392	0.8
191.07065	0.6
193.01408	0.7
193.05013	0.5
201.05493	0.4
203.03481	3.6
205.05019	0.5
209.11769	2.2
210.12157	2.4
211.12445	0.7
212.04607	0.5
213.05453	0.5
214.02715	0.4
215.03542	0.9
215.07156	0.9
216.04297	1.7
217.04990	2.1
219.02998	0.4
223.06102	0.6
225.15005	1.3
228.13248	0.6
229.05078	0.7
230.05675	0.8
231.06758	0.7
240.04323	0.6
241.05125	1.5
243.02879	0.7
243.16109	0.7
256.03827	0.5
257.04510	1.6
258.05353	2.8
259.06171	3.6
284.03336	0.6
285.04120	3.8
287.01962	0.5
301.03592	0.5
302.04260	1.3
303.05136	9.8
303.08609	0.6
303.13879	0.5
303.21759	0.9
304.05310	0.8
319.17816	0.7
333.19339	0.6
339.07242	4.1
348.91034	0.4
363.13565	0.5
389.11694	1.6
391.13037	0.5
405.21265	3.2
417.11325	1.1
421.11462	2.1
435.12177	4.1
447.09402	0.9
449.13690	0.5
450.14471	1.0
465.10486	47.6
465.16708	8.1
465.27570	2.7
466.10852	4.9
466.17224	1.1
482.67874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.2
59.01267	5.8
61.98712	1.3
63.02279	1.6
65.00210	17.7
69.25076	3.1
71.01273	3.0
72.99204	0.7
73.02840	0.5
75.00777	0.7
81.03353	0.7
82.83379	0.3
83.01276	8.5
85.02858	1.0
87.00781	0.8
89.02345	1.7
93.03382	0.6
95.01297	1.4
96.95938	0.8
98.20596	0.7
99.00767	0.8
101.02334	1.5
105.03372	0.4
107.01298	23.9
108.01584	0.7
108.99223	0.4
109.02875	2.3
111.00806	0.9
113.02379	1.4
119.03423	0.4
119.04932	1.0
121.02890	1.6
122.03629	0.9
123.00790	1.3
123.04443	10.1
124.01582	3.5
124.04832	0.4
125.02372	35.3
126.02735	1.1
132.02031	0.4
133.02892	4.4
135.04430	2.3
137.02361	1.1
139.00319	0.6
139.03914	0.7
143.05038	0.3
143.85744	0.3
145.02907	0.4
147.04463	0.9
149.02388	5.5
149.04424	0.6
150.03177	10.1
151.00314	100.0
151.03941	22.9
152.01109	9.4
152.04285	1.1
153.01923	1.9
159.04468	0.6
160.14355	0.3
161.04449	0.7
161.06059	0.7
163.00349	0.4
163.03944	0.9
164.04767	2.0
169.01385	3.7
171.04491	0.5
173.02361	0.5
173.05997	0.6
174.03198	0.8
175.03981	3.0
176.01135	1.4
177.01871	2.5
178.99831	9.0
179.07033	0.3
185.06104	0.9
187.04016	0.4
188.04703	0.4
189.05498	1.6
190.02649	0.5
191.03523	0.8
191.07114	0.4
193.05029	1.3
197.06082	0.5
198.03130	0.4
199.04012	2.4
200.04683	0.3
201.01944	0.7
205.05078	0.4
211.04012	0.5
213.05589	1.1
215.03481	1.1
215.06955	0.5
216.04202	0.6
217.05106	4.0
219.03073	0.4
223.06133	2.6
224.06531	0.4
229.05142	0.8
231.06400	0.4
240.04274	0.3
241.05101	1.9
243.03041	0.6
257.04599	1.6
258.05286	0.6
259.06107	3.5
267.03171	0.6
275.05624	2.7
284.03336	0.8
285.04120	61.2
286.04465	5.0
302.04376	1.3
303.05176	5.5
303.08722	0.7
313.09357	1.5
335.05615	0.7
339.07260	3.5
342.43845	0.3
385.12125	0.3
405.21310	0.5
421.11411	0.5
425.08810	0.9
437.10938	4.5
438.11087	0.5
447.09360	2.9
448.09494	0.4
465.10455	39.7
466.11014	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	465.105
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03326	4.4
59.01262	13.6
61.98704	1.7
65.00212	15.9
69.50867	7.8
71.01257	3.6
73.02818	1.2
75.00774	1.8
81.03382	1.0
83.01282	7.2
85.02836	2.5
87.00770	2.4
88.70052	0.9
89.02347	5.6
93.03316	1.5
95.01264	1.5
96.95903	1.1
98.19762	1.1
99.00789	2.5
101.02357	4.5
102.93884	1.0
107.01299	24.1
109.02850	4.1
111.00793	1.4
113.02337	2.2
119.03448	1.9
121.02843	3.3
123.00761	1.7
123.04444	7.6
124.01582	1.9
125.02362	43.9
126.02702	1.4
133.02890	12.6
135.04445	4.3
136.04813	1.2
137.02353	3.0
145.02817	0.9
149.02365	7.7
150.03177	7.7
151.00316	100.0
151.03940	22.7
152.01070	7.1
153.01837	2.7
153.05482	1.0
167.03433	1.9
169.01395	3.3
175.03938	4.8
176.01097	2.2
177.01907	17.7
178.99847	7.7
179.05621	1.2
179.07095	2.1
180.07480	1.5
185.11794	6.1
189.05515	1.3
193.01372	7.3
199.03909	2.7
213.05409	1.6
217.05019	2.9
229.14436	2.1
241.05020	2.2
259.06119	2.8
275.05615	1.8
284.03436	1.1
285.04123	63.9
286.04401	4.6
301.10834	5.2
302.04309	1.6
302.11163	8.1
303.05261	10.4
303.08350	1.7
303.11514	8.9
304.05582	1.0
313.09393	1.6
339.07324	5.3
437.10892	1.8
447.09491	2.3
465.10406	43.0
465.19684	8.3
465.31064	1.3
466.10599	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	464.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.2
59.01266	3.7
61.98716	100.0
67.54887	0.2
70.69588	0.2
71.01272	1.1
71.60147	0.3
72.99197	0.8
73.02847	0.4
73.99565	0.2
75.15960	0.2
78.95807	1.5
80.41947	0.2
85.02858	0.3
87.00764	2.7
87.01192	0.2
97.06500	0.3
99.00790	0.2
101.02347	0.5
101.06004	0.3
103.00279	0.4
105.03371	0.2
109.02883	0.3
113.02374	0.5
119.04960	0.3
121.02899	0.8
122.03658	1.0
123.04478	0.3
125.02348	0.7
130.99828	0.7
135.04488	0.4
136.05199	0.3
137.02382	0.6
145.02936	0.2
146.99197	0.2
147.04510	0.7
149.02396	0.3
151.07596	0.3
152.01129	0.3
159.04503	0.3
163.03975	0.5
164.04735	0.3
173.06026	0.5
174.06621	0.3
177.01938	0.2
192.04250	0.3
194.02130	0.2
201.09254	0.2
211.13396	1.5
216.07640	0.3
217.08688	0.4
218.02223	0.3
218.09506	0.2
228.07793	0.3
243.10179	0.2
254.04443	0.6
260.10437	0.2
287.16757	0.4
293.36108	0.2
315.16165	0.2
330.22839	0.2
387.15143	0.2
447.16733	0.3
464.16635	1.8
464.31363	0.2
465.17917	7.6
465.32477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.1
59.01274	1.9
59.73351	0.3
61.98714	0.8
63.02279	1.3
65.00208	13.8
66.00538	0.3
70.68360	0.4
70.68675	0.8
71.01270	0.8
83.01277	7.0
84.66031	0.3
89.02360	0.5
90.86655	0.3
95.01278	0.5
102.09131	0.4
105.03400	0.4
107.01294	17.5
109.02863	0.4
117.28185	0.3
121.02898	0.4
122.03651	0.7
123.04433	8.2
124.01575	1.5
125.02364	9.6
128.71588	0.4
133.02892	3.8
135.04449	2.0
149.02394	0.8
150.03163	8.7
151.00305	100.0
151.03926	15.2
152.01016	4.7
152.04254	0.8
153.01772	0.4
167.03467	0.4
169.01392	2.5
171.04535	0.7
174.03200	0.7
175.03941	1.8
176.01097	1.0
177.01871	1.0
178.99817	5.2
183.03000	0.5
185.05989	1.0
189.05559	0.6
199.04013	1.8
199.42615	0.4
211.04030	0.5
213.05551	0.9
215.03506	0.6
216.03979	0.4
217.04993	1.0
241.05043	1.1
257.04596	0.8
284.03268	0.7
285.04083	58.4
286.01675	0.4
286.04477	4.3
302.04355	1.4
303.05020	4.2
313.09332	3.0
339.07230	5.9
345.06113	0.6
350.55048	0.4
419.46265	0.4
421.11951	0.4
447.09421	1.2
465.10471	27.9
466.10767	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	464.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84109	0.2
59.01265	3.1
61.98718	100.0
68.99682	0.2
69.53357	0.4
69.53761	1.2
71.01266	0.6
72.12747	0.2
73.02832	0.2
78.95815	0.3
85.02856	0.3
87.00772	7.6
91.03918	0.3
91.05430	0.3
93.03366	0.4
96.95969	0.2
99.87392	0.2
101.02358	0.4
105.03371	0.4
109.02875	0.3
110.48545	0.2
119.04980	0.5
121.02857	2.4
122.03649	4.7
123.04468	0.4
124.01588	0.3
130.99780	2.2
135.04472	0.5
136.05205	0.3
137.02379	1.3
147.04457	2.9
148.01605	0.3
148.05235	1.0
149.02385	1.0
149.06085	0.3
151.07690	0.3
154.02640	0.4
156.54071	0.2
163.03911	1.8
163.86301	0.2
164.04779	0.8
165.05519	0.3
173.02480	0.2
174.06868	0.2
183.13911	0.9
184.33551	0.2
191.03542	0.5
192.04324	0.8
194.02245	0.6
211.13382	6.5
215.07301	0.2
218.02287	0.7
254.04395	2.9
315.16202	0.4
329.23474	0.5
330.23868	0.8
333.17447	0.2
405.15793	0.7
429.15982	0.4
447.16666	0.4
463.74551	0.4
464.16776	0.6
464.31650	0.4
465.17749	19.9
465.32376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.8
61.98717	100.0
63.65635	0.3
71.01266	1.4
71.54424	0.3
73.02834	0.6
75.00775	0.4
75.63774	0.3
78.95798	1.0
85.02850	0.5
87.00774	6.2
88.01135	0.3
89.02343	0.4
93.03360	0.3
99.00773	0.3
101.02335	0.6
109.02899	0.3
113.02367	0.4
119.04961	0.4
121.02863	1.2
122.03657	2.5
123.04490	0.5
125.02367	0.4
130.99780	1.6
135.04474	0.3
137.02406	1.1
147.04491	2.0
148.05273	0.6
149.02449	0.8
151.07642	0.5
163.03963	1.1
164.04739	0.6
167.33292	0.3
175.03966	0.3
179.86005	0.3
182.85573	0.3
191.03401	0.4
193.78935	0.3
194.02199	0.4
203.58788	0.3
206.97333	0.2
211.13377	4.0
218.02106	0.3
242.18436	0.5
254.04314	2.0
255.03195	0.3
269.04974	0.3
283.02530	0.3
297.04083	0.3
324.22943	0.3
415.86862	0.3
423.22305	0.5
464.16245	1.3
464.31516	0.6
465.17889	11.3
465.32416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3439
Annotation	Certonardosterol B2
Peak:m/z	Relative Intensity
55.19089	0.6
59.01259	1.6
59.75445	0.6
71.51853	0.8
78.95776	0.6
92.48365	0.5
96.62484	0.5
122.03611	0.8
123.04438	6.0
135.04442	1.5
136.05234	5.6
137.06000	0.8
151.07588	43.1
152.07903	1.8
163.03961	2.2
164.04765	3.1
165.05574	0.8
178.06374	0.7
179.07092	38.8
180.07448	1.8
298.78546	0.5
360.16257	0.7
362.62854	0.6
419.02313	0.6
419.31271	0.7
435.34946	6.6
436.35382	1.2
445.33347	2.5
463.34393	100.0
464.34695	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	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.2
55.54117	0.2
57.03330	0.5
58.00486	0.2
59.01263	5.2
63.02281	0.2
65.00198	0.3
71.01266	3.2
72.99208	0.3
73.02825	0.8
75.00788	0.2
80.02572	1.0
81.02911	0.2
81.03355	0.8
83.01272	1.0
83.04914	4.5
83.38956	0.2
84.02066	1.2
85.02830	1.0
87.00771	6.6
89.02332	3.3
93.03369	0.5
95.00704	0.2
95.01282	0.5
95.04914	0.7
95.89680	0.2
97.02846	0.6
97.06448	0.2
98.19846	0.5
99.00764	0.4
101.02347	3.8
107.01297	0.5
107.04927	0.3
108.02124	0.2
109.02816	0.3
109.06514	0.3
111.00797	2.6
113.02364	1.8
119.03414	0.8
119.04910	0.3
121.02860	2.1
122.03658	0.4
123.00781	0.5
123.04433	0.7
124.01527	0.3
125.02382	1.1
125.05982	0.5
125.09675	0.2
130.99783	3.1
131.03470	0.2
135.04482	0.2
135.08067	0.6
137.02373	1.1
138.99261	0.3
139.00307	4.2
141.01906	0.3
143.03439	0.3
145.02927	0.3
147.04445	1.3
149.02382	1.2
149.06039	0.3
151.00319	0.7
151.03984	0.2
161.02420	0.7
161.04526	1.3
163.00337	0.3
163.03967	0.8
163.09991	0.3
163.11230	3.5
164.04709	0.8
164.11516	0.3
165.01920	0.3
165.05470	0.9
165.12791	2.7
173.73239	0.2
175.03987	0.3
176.04776	0.7
177.01927	0.4
179.03481	0.9
179.05664	0.4
179.07031	0.9
181.12279	0.6
183.04465	0.3
191.03502	0.4
191.07054	0.4
191.10739	0.8
192.04189	0.3
194.05801	1.1
195.06602	0.2
199.13443	0.4
201.05534	0.3
207.06691	0.2
207.10378	0.2
209.11816	100.0
210.12170	6.1
210.14206	0.2
211.03940	0.2
212.04753	0.2
223.06003	0.2
224.06827	0.5
227.03442	0.6
227.12894	17.3
228.13211	1.0
229.04990	0.3
235.08214	0.5
253.09323	12.4
254.04344	2.2
254.09659	0.5
255.02911	0.4
256.03708	0.5
257.04477	0.4
272.03043	0.2
273.04108	2.2
283.02435	0.5
299.01920	0.2
300.02734	1.0
301.03622	5.5
301.06985	0.4
301.10599	0.3
302.04092	0.4
403.10287	0.3
419.30341	0.3
463.08282	2.6
463.12759	4.1
463.22192	0.6
464.09241	0.6
464.13733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
57.03338	0.4
58.00475	0.4
59.01263	6.1
70.07936	0.2
71.00900	0.3
71.01269	4.5
71.04927	0.3
71.28966	0.5
71.93227	0.3
72.99208	0.5
73.02835	0.7
75.00758	1.1
80.02555	0.8
81.03349	0.8
83.01283	0.8
83.04913	4.5
84.02061	0.9
85.02847	1.3
87.00771	1.0
89.02341	3.5
91.05383	0.5
93.03365	0.6
95.01289	0.4
95.04913	0.5
97.02856	0.7
99.00779	0.6
101.02343	4.0
103.31413	0.2
107.01297	0.3
108.02046	0.4
109.02869	2.0
111.00779	0.5
113.02357	1.9
119.03418	0.9
119.04949	0.3
121.02858	1.7
122.03660	0.4
123.04444	0.4
124.01588	0.3
125.02414	1.1
125.05986	0.7
131.03433	0.4
135.04453	4.4
135.08121	0.5
137.02348	0.4
139.00307	1.0
139.03946	0.5
143.03416	0.5
147.04442	1.8
149.02374	1.5
149.04520	0.8
149.06010	1.0
151.00340	0.7
151.03909	0.4
153.01930	0.4
153.05527	1.2
160.04013	0.3
161.02437	0.4
161.04503	1.9
161.06023	1.6
162.06790	1.0
163.00359	0.3
163.11243	3.5
165.01894	0.3
165.05568	1.2
165.12820	1.9
173.06053	0.7
179.05548	0.4
179.07080	4.0
180.07434	0.2
181.12306	0.6
191.07118	0.7
191.10764	1.0
199.13365	1.1
201.05768	0.2
209.11818	100.0
210.12151	6.3
213.05545	0.3
220.06151	0.3
227.12889	21.0
228.13182	1.1
229.04994	0.4
235.08177	0.3
253.09319	14.2
254.09622	0.9
255.02924	0.4
269.04504	0.3
271.09683	0.4
273.04083	0.4
283.02710	0.3
283.05807	0.3
283.09845	0.9
286.04813	0.7
298.04681	0.6
299.05109	0.8
299.13846	0.3
300.02484	0.4
300.05630	1.1
301.03577	2.6
301.07288	3.3
301.10831	25.2
302.04129	0.3
302.07831	0.3
302.11111	2.3
329.15039	1.0
341.06766	0.4
342.06961	0.7
343.07523	2.2
419.30649	0.4
445.11020	0.3
463.12268	2.4
463.20953	1.3
464.10382	0.3
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
55.01795	0.5
57.02261	0.4
57.03341	0.5
58.00486	5.1
59.01265	100.0
60.01587	0.7
61.98719	23.4
69.71545	1.9
71.01271	15.5
72.99204	1.3
73.02834	2.3
74.83008	0.4
75.00760	7.1
83.01303	1.0
85.02859	3.4
85.30151	0.4
87.00793	1.3
89.02338	12.4
95.01308	1.2
99.00783	1.2
99.04493	0.5
101.02347	9.4
111.00761	0.4
113.02352	6.1
119.03417	5.9
122.06044	1.2
124.07618	1.0
125.36887	0.4
127.22240	0.4
131.03381	0.6
132.04523	0.7
139.11154	0.5
143.03441	1.3
145.05096	0.5
146.06058	4.7
148.07623	2.8
149.04538	0.6
149.09659	2.1
150.05562	0.7
151.11160	0.7
158.06184	0.4
159.02957	0.5
161.04529	6.6
163.04002	0.4
164.03419	0.4
167.05814	1.7
167.10725	2.9
168.06612	0.8
174.01692	1.1
174.05533	1.3
175.06308	0.6
176.07103	0.6
179.05611	3.3
188.07161	0.6
193.03781	1.1
204.06657	4.5
205.07375	0.9
205.12276	1.4
207.05283	0.7
216.06631	0.5
221.06851	0.5
223.13339	0.8
227.08305	0.6
228.13910	0.5
237.06363	2.2
241.07379	1.2
241.09845	0.8
241.14424	1.0
243.11282	0.5
249.06441	0.5
249.64995	0.4
255.11438	1.0
269.12973	0.7
271.14557	4.6
283.10944	3.7
297.12415	0.7
299.14133	1.3
313.12207	0.7
329.15140	7.9
330.15341	0.9
337.11887	0.5
343.12967	2.6
355.12994	1.4
373.14139	36.9
374.14368	5.1
385.14044	2.5
385.18512	0.9
403.15417	3.4
403.19815	51.5
404.15460	0.8
404.20197	4.9
409.14105	1.1
419.15668	0.5
427.15182	1.9
445.16248	0.8
447.18741	4.2
463.17148	20.5
464.17523	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	463.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.0
57.03335	2.7
58.00476	4.4
59.01265	100.0
60.01586	1.2
61.98716	4.1
63.02263	1.1
65.00199	1.7
69.80062	0.9
71.01269	39.4
71.12699	2.4
71.13048	1.4
72.99193	4.0
73.02852	3.0
75.00752	5.8
79.61146	1.1
83.01281	3.5
85.02844	11.0
87.00786	4.2
89.02338	49.2
93.03402	1.2
95.01289	3.2
97.02854	1.4
99.00790	1.7
101.02353	22.3
107.01273	2.3
109.02854	1.8
111.00742	1.4
113.02361	17.5
119.03418	22.6
121.02870	1.1
123.04465	1.4
124.01603	1.2
125.02376	5.4
127.95727	1.0
131.03416	3.3
135.04462	1.7
137.02414	1.7
137.09666	1.0
143.03412	5.5
145.02887	1.9
146.06093	1.4
148.63490	1.2
149.02437	1.5
149.04433	1.5
151.00320	4.7
153.01878	1.4
159.04411	2.0
161.04497	12.2
161.07410	1.0
163.03954	1.6
165.01828	1.7
173.02359	1.1
178.99757	1.4
179.05563	23.2
183.04515	2.5
187.03963	3.2
190.02718	1.1
191.03464	2.1
193.01407	3.2
199.04022	1.1
204.06573	1.5
205.01427	1.9
207.05119	1.0
209.11862	2.4
211.04027	4.1
213.01985	1.2
215.03468	3.6
227.03323	2.1
229.05130	1.4
235.02527	2.9
239.03494	2.4
241.14433	1.3
253.03627	1.4
255.03014	14.7
256.03555	2.3
257.04514	1.4
265.03790	1.6
271.14587	1.1
283.02374	6.6
284.03223	4.6
301.03488	3.2
301.06964	2.3
317.16077	3.0
329.15170	3.0
343.04266	1.9
343.12918	1.6
373.05942	2.2
373.14105	13.8
374.14728	1.5
385.14105	1.2
403.15775	2.0
403.19830	53.5
404.20288	6.6
435.09406	3.4
442.52997	1.0
447.18671	3.0
463.09000	47.7
463.17221	9.1
464.09052	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
57.03329	0.4
58.00473	0.5
59.01267	9.1
61.98724	0.3
69.03395	0.4
71.01270	6.0
72.99190	0.7
73.02841	1.7
83.01279	1.1
83.04937	0.3
85.02841	1.6
87.00771	1.7
89.02337	5.4
89.02817	0.2
95.01298	0.6
97.02839	0.3
97.06505	0.3
99.00807	0.5
101.02347	6.4
101.03011	0.3
109.02821	0.2
109.31322	0.3
111.04487	0.2
111.08075	0.6
113.02365	3.4
119.03424	1.6
125.02412	0.3
126.17301	0.2
129.69316	0.3
129.70274	0.3
131.03452	0.5
133.04951	0.5
135.04422	0.3
143.03476	0.4
149.06023	0.5
151.04030	0.3
152.50816	0.2
161.04506	2.1
163.57933	0.2
165.12808	7.4
166.13148	0.4
179.05534	0.5
179.07036	0.3
183.13882	100.0
184.14221	5.5
209.11823	2.0
227.12895	8.3
228.13223	0.4
229.53871	0.3
235.08351	1.0
243.54485	0.3
253.09331	6.5
254.09956	0.2
301.10983	1.2
301.16556	0.3
355.15146	0.3
358.92346	0.2
400.47369	0.2
403.26877	0.4
445.20712	0.6
463.21948	67.2
464.22299	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	463.1774
Annotation	Lespedezol A5
Peak:m/z	Relative Intensity
55.91106	0.3
59.01258	2.0
61.98719	0.5
71.23589	0.3
71.23952	0.6
79.05413	0.4
80.96265	0.3
93.03346	0.5
107.04932	0.6
109.02852	1.0
121.02880	1.3
121.06518	0.6
123.04460	0.5
133.02887	1.0
135.04434	0.9
136.05251	0.3
137.02362	0.4
137.06035	1.1
139.03972	0.6
148.01604	1.0
149.02406	1.4
149.06036	4.4
159.04390	0.4
161.02379	0.3
165.05515	0.8
175.03970	0.7
181.14777	0.3
183.08099	0.4
199.03966	0.4
213.01915	0.4
214.54103	0.3
217.00253	0.8
223.07770	0.4
225.05627	0.6
225.09120	0.6
227.03639	0.3
229.04929	0.3
230.89597	0.3
237.05464	0.3
239.10818	0.3
241.04843	0.3
255.06592	2.4
263.07028	0.3
267.06711	4.9
268.06992	0.5
277.05365	0.3
277.08722	0.4
279.06763	0.3
281.08109	0.3
293.08270	0.5
295.09961	0.6
300.02789	0.3
301.03561	0.3
305.08316	0.5
309.11389	1.4
311.09415	0.7
319.09811	0.7
321.07648	0.6
332.10471	0.4
333.07697	0.4
335.09445	0.8
339.12109	0.4
347.09116	0.7
349.07077	0.4
350.08017	0.6
353.14063	1.0
354.14795	1.0
355.15601	0.7
361.07379	0.5
363.08847	1.8
364.09604	0.7
375.08716	1.3
375.12961	0.6
376.09607	1.0
377.10510	0.4
389.09909	0.5
396.08618	0.5
403.11969	0.9
404.12524	0.7
407.18649	0.4
417.17355	0.4
435.18182	5.0
436.18668	0.8
445.16434	0.8
447.14914	0.3
448.15503	0.3
448.32294	0.5
450.03879	0.4
461.16061	0.3
463.17728	100.0
463.35159	4.6
464.18094	13.9
464.23532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
55.63241	0.2
57.03342	0.6
59.01263	6.9
61.98708	0.8
65.03841	1.3
67.01784	0.5
68.99700	0.5
69.03317	0.5
71.01271	9.2
71.56847	0.4
72.99213	0.8
73.02838	3.0
75.00770	0.9
81.03362	0.4
83.01284	1.1
85.02839	3.6
87.00745	1.5
89.02346	1.9
91.05435	4.1
93.03366	1.9
95.01304	1.1
95.04929	1.0
97.02865	0.9
97.88451	0.2
99.00787	2.8
99.04436	0.3
101.02346	8.1
105.03359	0.4
106.04148	0.4
107.01312	0.5
107.04911	0.6
108.02084	1.7
109.02859	11.5
110.03221	0.5
111.00791	0.7
113.02362	5.3
117.07023	1.2
119.03413	0.6
119.04935	0.8
120.05749	0.4
121.02868	11.7
121.06505	2.7
122.03748	1.4
123.00800	0.3
123.04447	5.0
125.02364	1.4
129.01840	0.7
133.02879	76.8
134.03683	25.4
135.04454	34.4
136.01595	13.4
136.04738	1.6
137.02319	1.0
137.05992	1.2
138.03113	0.6
141.01862	0.8
143.03465	0.7
145.02905	0.3
146.03682	0.6
147.04465	4.2
148.01573	0.3
148.05180	0.3
149.02420	1.7
149.04541	0.4
149.06049	1.5
150.03198	0.4
151.00285	1.1
151.03935	2.3
151.11209	0.4
153.05511	0.7
159.03094	1.2
159.04463	1.2
161.02377	0.6
161.04497	7.9
161.06023	3.3
162.06406	0.3
163.03918	0.5
163.07582	1.0
163.11214	0.4
165.01886	0.5
165.09160	0.3
166.02650	0.5
168.75839	0.3
175.03899	0.4
179.03667	0.3
179.05533	0.4
179.07106	5.4
179.08594	0.2
180.18446	0.3
182.02173	0.4
183.04478	0.8
185.06108	0.3
191.03401	0.2
191.05420	0.3
197.05998	0.8
198.06856	3.5
199.07492	0.5
199.13344	1.3
205.03435	0.5
207.08179	0.7
207.10077	0.3
208.10646	0.4
209.06079	0.8
209.11818	2.4
211.07587	0.4
213.05695	0.6
213.09206	2.6
215.06987	0.3
222.06894	0.3
223.07645	0.9
224.08426	1.2
225.05585	1.0
226.06241	0.4
227.12875	3.4
228.07906	0.4
238.08434	0.3
239.07254	0.4
239.10789	0.9
240.07890	0.3
241.08784	0.4
250.06398	2.9
251.07167	3.9
252.07733	0.4
253.05156	2.4
253.09143	0.8
255.03009	0.9
255.06532	0.5
257.03629	0.4
265.08755	1.2
267.06650	3.1
268.07465	7.1
269.07867	0.6
270.09033	0.5
271.06107	0.3
271.09799	1.3
283.09811	100.0
284.03223	0.5
284.06845	0.3
284.10135	8.4
285.11374	35.6
286.11719	2.5
300.02707	0.4
301.03586	1.5
301.07278	1.7
301.10831	21.1
302.11124	1.7
309.07950	0.4
309.11218	1.4
324.10214	1.8
325.10699	0.5
327.12524	0.4
331.17688	0.5
403.27090	1.4
415.13953	0.4
419.30380	1.4
427.14087	1.0
463.11609	2.1
463.16470	0.4
463.22028	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.4
57.83556	0.1
58.98563	0.1
59.01266	3.6
59.41378	0.1
60.55083	0.1
61.98721	0.7
65.00208	0.2
65.03849	0.5
67.01751	0.2
68.99711	0.2
69.03329	0.4
71.01270	2.8
71.28875	0.4
72.99207	0.3
73.02844	0.9
75.00757	0.8
79.05452	0.2
81.03371	0.3
83.01292	0.3
85.02831	1.1
87.00753	0.2
89.02334	1.8
91.05435	1.7
93.03364	0.9
95.01292	0.4
95.04968	0.2
97.02846	1.1
99.00780	0.7
99.04402	0.2
101.02331	1.2
105.07011	0.6
107.04926	0.4
108.02079	2.3
109.02861	8.6
111.04452	0.3
113.02346	0.8
117.03378	0.3
119.03415	0.4
119.04936	0.5
121.02869	8.2
121.06478	0.3
121.18511	0.2
122.03683	2.8
123.00795	0.2
123.04449	2.4
125.02348	0.7
131.03429	0.5
131.04942	0.2
133.02888	0.6
133.06554	0.2
134.03667	0.4
135.04448	20.5
136.04898	0.9
137.02373	0.5
137.05981	0.5
145.02930	0.1
146.03613	0.2
147.04453	8.8
148.01572	0.2
148.05049	0.5
149.02467	0.8
149.04507	0.9
149.06015	4.8
150.06337	0.3
151.03961	0.7
153.01865	0.5
153.05525	6.5
154.05817	0.2
159.03168	0.2
159.04384	0.8
161.02353	0.2
161.04562	0.6
161.06021	6.9
162.06813	4.8
163.03999	0.4
163.07265	0.3
165.01863	0.6
165.04128	0.3
165.05524	6.7
166.05843	0.2
167.03424	0.3
167.07074	0.2
169.01305	0.2
173.06036	3.0
174.06819	0.6
177.01898	0.4
177.05536	0.4
179.07095	17.8
180.07399	0.9
181.01329	0.2
185.09683	0.2
187.04034	0.4
189.05487	0.2
191.03513	0.3
191.05574	0.3
191.07115	3.3
192.07860	0.8
193.01414	0.5
201.05551	0.2
203.07085	0.5
211.07558	0.3
213.05577	0.2
213.09253	0.3
215.03510	0.2
215.07118	0.5
221.00780	0.2
223.02391	0.3
223.07663	0.2
227.07185	0.2
227.10736	0.6
229.08797	0.2
230.05865	0.2
231.10225	0.6
238.06377	0.4
239.10805	0.3
241.05078	0.2
241.08687	0.5
249.06232	0.2
253.08708	0.7
255.06848	0.3
256.07397	0.5
257.11838	0.4
259.09695	0.6
265.08737	0.5
268.07678	0.3
270.05289	0.2
271.06204	0.2
271.09793	1.3
273.11108	0.2
281.04489	0.2
282.05502	0.2
283.06543	0.3
283.09766	3.1
284.10239	0.4
285.03928	0.2
285.53046	0.2
286.08582	0.2
297.04092	0.6
299.05569	0.2
300.02768	0.4
301.10864	100.0
301.93909	0.2
302.11200	9.3
313.03638	0.2
315.04968	0.2
331.17685	0.3
343.04474	1.3
373.05615	0.4
463.08939	1.8
463.16122	6.7
463.22003	1.6
464.10095	0.2
464.16629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03331	0.5
59.01264	100.0
60.01609	0.9
61.98718	2.9
71.01265	3.4
71.48320	0.4
71.60073	0.6
72.99191	3.2
73.02846	0.8
74.02359	0.8
75.00764	0.6
80.22708	0.4
83.01270	0.5
85.02852	1.4
87.00774	1.9
89.02348	0.9
91.03897	2.0
99.00779	0.7
101.02366	1.2
103.00297	1.3
108.02108	0.4
109.02861	0.7
111.04442	0.4
113.02397	0.9
121.02903	0.6
125.02386	0.5
135.04446	2.6
136.92560	0.4
137.02397	0.6
146.99203	0.4
147.04451	0.4
149.02373	0.4
158.03674	0.5
161.04471	0.7
163.03891	0.4
171.10281	1.5
173.06091	1.2
174.06790	0.7
175.07700	0.6
183.13947	0.4
187.04007	0.6
187.07693	0.8
188.04735	0.4
189.09286	0.5
199.07730	0.7
203.07169	0.8
211.13322	2.3
215.07155	1.2
217.08716	0.9
218.09500	0.4
220.91409	0.3
227.07230	0.5
229.14517	1.3
231.06689	0.9
241.18130	0.6
254.06096	0.4
257.08224	0.5
259.22980	0.4
275.09369	0.5
301.10904	3.0
311.22366	1.7
329.14200	1.0
329.23392	10.9
330.23779	0.7
403.27142	0.8
463.10095	1.0
463.16330	10.4
463.31055	1.6
464.16785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26092	0.2
56.69496	0.2
59.01270	2.7
61.98707	0.2
65.03848	0.3
68.30252	0.2
69.76045	1.4
71.01269	1.2
72.41631	0.2
72.54192	0.2
72.99190	0.3
73.02842	0.4
75.00755	1.3
80.02555	0.5
81.03336	0.4
83.01289	0.4
83.04903	0.6
85.02855	0.3
87.00743	0.2
89.02362	0.8
91.05441	1.5
93.03372	0.3
95.16899	0.2
97.02863	0.9
98.20466	0.3
101.02337	0.9
105.07025	0.3
107.04939	0.4
108.02061	1.6
109.02866	5.8
110.03178	0.2
113.02365	0.8
117.07039	0.3
119.04932	0.2
121.02879	5.5
122.03705	2.0
123.04474	1.7
125.02385	0.5
130.94754	0.2
133.02924	0.5
134.03648	0.6
135.04456	13.9
135.08072	0.3
136.04808	0.6
139.00302	0.3
139.03952	0.3
144.53702	0.2
147.04468	5.6
149.02420	0.3
149.06041	3.5
151.00323	0.7
151.03967	0.6
153.05536	3.7
155.48366	0.2
159.04443	0.4
161.04692	0.4
161.06024	5.1
162.06815	3.6
163.11186	0.6
164.00955	0.3
165.05547	4.1
165.12790	0.3
166.05923	0.3
173.06058	2.1
174.06778	0.5
175.03914	0.2
177.05528	0.3
179.07109	12.5
180.07443	0.6
187.03976	0.2
191.07130	2.4
192.07755	0.4
199.13368	0.8
203.07028	0.3
209.11829	15.8
210.12148	0.8
213.09203	0.2
214.95061	0.2
215.07120	0.3
215.10666	0.2
224.16054	0.2
227.03668	0.3
227.10921	0.5
227.12898	6.0
233.69949	0.2
241.08894	0.3
253.09262	2.8
255.02972	0.3
256.07535	0.5
259.09805	0.5
265.08859	0.2
271.09918	1.0
283.09753	1.9
300.05603	0.3
301.10867	100.0
302.11218	9.6
329.15121	0.5
343.07391	0.4
403.19919	0.2
429.47153	0.2
446.40353	0.2
463.08435	0.3
463.12106	0.4
463.21658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	8.3
61.98715	0.6
62.85299	0.3
63.02281	2.6
65.00208	5.1
69.27874	2.8
71.01265	2.3
73.02843	0.6
74.40971	0.3
75.00751	0.4
79.88262	0.3
80.02574	0.3
83.01274	4.1
83.01727	0.4
85.02837	0.9
87.00779	0.9
87.54261	0.3
89.02331	1.5
91.80682	0.3
93.03337	0.4
97.02883	0.3
98.20569	0.7
101.02347	1.3
102.16389	0.3
107.01293	12.8
108.02093	6.3
109.02889	0.5
113.02396	0.7
114.98020	0.3
118.58141	0.3
119.04952	0.4
121.02852	0.7
123.04459	3.0
124.01579	0.5
125.02351	1.5
133.02878	1.2
134.03662	18.3
135.04561	1.7
136.01581	3.1
137.02406	0.7
148.83856	0.3
149.02345	0.4
149.06021	13.5
150.06354	0.7
151.00313	38.0
152.00720	1.3
161.04593	0.5
164.01094	5.4
165.01915	2.7
169.01361	2.1
174.03160	0.8
175.00333	0.9
175.03989	0.6
177.01923	4.8
181.69092	0.3
193.01384	0.4
196.00131	3.8
198.59258	0.3
199.04015	0.7
201.01874	0.4
206.08105	0.4
207.06389	0.3
215.03600	0.5
241.05135	0.4
242.05792	0.5
257.03769	0.3
257.08298	0.8
258.05298	0.3
269.04391	0.4
283.09787	1.4
285.04071	0.9
286.04886	2.2
298.04202	0.4
299.05453	0.5
300.05984	0.6
301.07245	100.0
302.07590	8.1
302.10236	0.2
325.07361	0.8
343.08438	2.3
388.15463	0.4
403.27109	1.0
419.30176	0.6
445.24594	0.6
463.12488	12.3
463.19580	0.7
463.25580	5.5
464.12903	1.8
464.25766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
56.34225	0.7
57.03330	2.6
58.00477	1.5
59.01262	24.7
59.57665	0.6
60.01603	0.6
61.98698	2.5
67.01768	1.8
68.99709	4.3
69.03337	2.3
71.01266	22.5
71.51877	0.9
72.99199	39.1
73.02841	3.2
74.02372	1.6
75.00764	17.9
75.07478	0.8
75.50857	0.6
78.95796	2.3
81.03354	0.9
83.01270	2.6
84.02035	1.0
85.02839	20.4
87.00765	14.4
89.02309	4.1
93.03356	99.7
94.03690	2.8
95.01294	5.2
97.02839	1.3
97.06487	2.7
99.00780	9.9
100.98714	2.0
101.02348	3.4
101.05991	0.7
103.00274	20.9
109.02854	2.2
111.00777	1.7
111.04433	0.8
113.02360	26.2
115.00255	1.9
117.01851	2.9
123.04383	1.2
125.02321	0.9
129.01848	2.3
130.99757	2.5
131.03357	0.8
135.04433	1.6
139.00238	0.9
143.03448	0.6
145.02908	1.3
145.06505	1.6
146.03682	1.5
146.99297	9.9
149.06036	0.7
151.07584	0.7
152.99561	1.2
158.03656	2.0
159.04474	2.8
159.08064	1.0
160.05275	0.8
161.02391	0.8
163.03964	0.9
169.06544	15.7
171.04437	1.0
172.05168	1.2
173.06021	11.7
174.03183	1.5
174.06818	5.4
175.02419	3.0
175.03908	1.6
175.07587	6.0
185.06053	1.2
186.03099	0.9
186.06804	1.9
187.03926	2.5
187.07605	6.0
188.04752	2.3
189.04030	1.2
189.05519	3.0
189.09215	2.4
191.07140	1.5
198.03125	1.5
199.03926	2.1
199.07600	3.0
200.08438	0.8
201.05573	2.2
201.09209	1.3
202.06274	2.3
203.03471	0.8
203.07155	7.2
204.07770	2.5
205.08614	1.3
209.11792	1.8
212.04807	0.7
213.05559	52.7
213.08934	1.4
214.05981	3.8
215.07114	7.0
216.07889	2.1
217.08752	6.6
218.09456	6.0
227.07130	4.1
227.12860	1.4
228.07932	2.4
229.08662	2.4
231.05037	4.1
231.06685	4.6
231.10115	0.9
232.07323	2.3
233.08134	0.8
241.08688	1.4
242.09340	0.9
245.08139	1.1
247.09872	1.1
249.06187	100.0
250.06557	3.8
253.09459	0.9
257.08203	3.1
258.08957	1.2
259.09744	0.9
260.10614	1.9
271.13394	1.8
272.06931	1.2
275.09366	5.3
276.10040	5.6
301.07260	0.8
301.10910	2.1
313.14398	1.1
325.14487	1.2
329.14008	5.7
343.15472	0.8
355.15747	1.1
366.09647	7.7
369.13531	2.7
373.16528	2.7
387.14481	0.7
389.16342	1.2
403.10349	0.8
462.27017	1.4
462.75024	1.4
463.11890	27.4
463.16379	47.0
463.30542	2.6
464.12354	3.6
464.16742	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35201	0.4
57.03335	0.6
59.01265	11.0
61.15137	0.3
61.98728	0.6
63.02303	0.8
65.00220	1.1
65.03849	0.7
69.03335	0.5
70.85847	0.9
71.01268	7.6
72.99197	0.5
73.02830	1.8
81.03357	0.4
83.01265	1.8
85.02857	1.7
85.06485	0.4
87.00818	0.7
89.02339	9.2
93.03393	0.4
95.01306	0.5
99.00790	2.4
101.02341	4.1
103.02994	0.3
107.01303	3.4
108.02086	1.5
109.02865	9.4
113.02358	2.0
119.03458	1.0
121.02876	2.3
125.02379	1.1
131.03445	0.9
134.03625	0.5
135.00829	0.8
137.02408	0.6
148.01646	1.8
149.02438	0.6
149.04485	4.0
149.05731	0.4
149.06116	0.3
151.00311	12.2
152.00790	0.4
161.04562	0.7
163.00307	2.8
164.01097	1.1
169.01382	1.3
175.03877	0.4
176.01122	1.0
177.01721	0.4
178.99831	5.7
179.05594	0.6
187.03928	0.5
190.99794	0.5
191.03494	2.2
191.05620	1.0
198.03156	0.4
199.03972	0.9
201.01918	0.6
203.03523	0.5
211.03955	1.2
215.03511	0.7
216.04237	0.8
226.02692	2.1
227.03539	2.5
228.04237	0.7
229.05075	0.8
239.03485	0.7
240.04153	0.4
241.14441	0.4
243.02995	12.1
244.03499	0.7
245.04582	1.2
251.07756	0.4
254.02248	2.9
255.03014	24.5
256.03528	2.1
271.02533	58.5
272.02985	5.8
273.04105	1.1
283.02606	1.3
299.02069	1.2
300.02811	100.0
301.03555	53.5
301.07074	3.0
301.10541	0.8
302.04117	3.4
331.17615	0.5
343.04510	0.8
403.19824	0.9
419.30270	1.1
463.08862	80.4
463.21667	4.6
464.09174	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	463.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
58.00492	0.5
59.01268	15.0
61.98719	4.3
65.00219	0.9
67.01782	0.5
67.80118	0.4
69.03368	0.7
71.01270	9.6
71.59258	0.6
72.99197	1.0
73.02840	2.9
75.00766	1.8
81.03352	1.1
83.01278	1.9
85.02842	2.2
87.00780	1.3
89.02338	9.5
91.05413	1.8
93.03357	3.2
95.01283	1.7
95.04893	0.4
97.02864	2.4
99.00775	2.3
99.04420	0.9
101.02344	5.4
106.84377	0.4
107.01281	0.7
107.04916	0.9
108.02085	2.4
109.02863	8.5
111.00802	0.9
113.02365	3.6
117.03373	3.2
119.03388	1.2
119.04913	1.0
121.02871	9.8
121.06489	0.4
122.03639	1.9
123.00776	1.2
123.04471	2.9
125.02361	4.1
131.03404	2.0
133.02869	1.6
134.03645	0.7
135.00818	0.8
135.04442	20.2
136.05083	0.6
137.02357	3.2
137.05984	0.6
139.03905	0.6
141.01814	0.8
143.03349	0.6
145.02899	0.6
147.04442	8.2
148.01697	0.5
149.02408	3.5
149.04510	3.8
149.05991	3.8
151.00293	2.9
151.03937	1.0
153.01903	2.5
153.05508	5.5
155.03482	0.4
157.06482	0.6
159.04390	0.8
160.50423	0.4
161.02470	2.4
161.04500	1.8
161.06023	7.6
161.07352	0.5
162.06793	4.2
163.00333	2.2
163.03969	1.4
165.01878	3.4
165.05510	7.1
166.02678	0.5
167.03511	1.5
169.01411	0.9
171.04451	1.0
173.06023	3.5
175.00304	0.8
175.03990	0.7
177.01875	1.9
178.99834	1.4
179.03517	1.5
179.05615	1.1
179.07082	18.2
180.07445	0.6
181.01350	1.1
185.06114	0.7
187.03998	0.7
189.01968	0.5
189.05530	0.6
190.99579	0.5
191.03500	2.1
191.05531	1.3
191.07095	4.0
192.07889	1.0
193.01421	4.7
197.04388	0.5
197.06073	0.9
199.03986	0.9
199.07666	0.7
200.04819	0.5
201.05746	0.6
203.03583	0.6
203.07120	0.5
205.01465	2.3
206.02139	0.5
207.02953	0.7
209.06194	0.5
209.11806	0.6
213.05588	1.0
215.03418	1.2
215.07069	0.7
217.05133	0.5
219.03038	0.8
221.00937	1.5
223.02484	3.2
225.05565	0.9
227.03534	1.0
227.10803	1.0
229.05016	0.7
235.02419	2.4
241.05016	1.4
243.03049	0.8
243.06711	1.1
245.04515	0.5
251.02020	0.5
253.08791	0.9
255.03040	2.0
255.06583	0.8
256.03702	0.9
257.04700	0.9
258.05588	0.5
269.04553	3.3
271.02487	2.3
271.06308	0.9
271.09717	1.2
273.03989	0.7
281.04602	0.7
282.05246	0.5
283.06201	1.8
283.09805	3.3
285.04160	1.2
286.04782	0.7
287.05661	0.8
293.08936	0.5
295.02414	0.6
297.04056	7.1
299.05887	2.5
299.08740	0.5
300.02835	6.3
301.03775	4.0
301.10864	100.0
302.03931	0.5
302.11188	7.7
311.05670	1.9
313.03610	2.2
314.04330	1.1
315.05252	2.1
325.03683	1.3
327.05081	0.6
331.17719	1.1
343.04562	15.6
344.04871	1.2
345.06165	0.9
373.05655	4.6
385.05783	0.6
403.19757	2.5
419.30399	0.5
430.08987	2.1
445.07816	1.3
463.08917	19.6
463.16129	5.8
463.22079	5.2
464.09274	2.0
464.15994	0.6
464.22733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62817	0.1
56.17000	0.2
57.86654	0.2
59.01271	0.6
59.66130	0.2
61.98693	0.1
62.84040	0.1
71.51788	0.2
95.04939	0.1
107.04955	0.2
121.02867	0.3
122.03670	0.6
123.04431	1.3
128.26752	0.2
135.04449	12.6
136.05251	7.2
137.06020	6.4
137.07104	0.2
138.06396	0.2
143.38271	0.2
148.05254	0.3
149.02380	0.5
149.05980	0.3
151.03949	0.3
163.03958	12.7
163.11162	0.2
164.04738	25.7
165.05524	7.8
166.06157	0.3
168.04233	0.5
173.05986	0.2
175.07553	0.3
175.75238	0.2
177.05527	0.5
178.06296	1.6
182.96603	0.2
187.07637	0.2
189.05479	0.2
196.03751	9.7
197.04065	0.4
200.08406	0.4
201.09189	0.2
201.33191	0.2
202.10028	0.2
203.07085	0.7
204.07898	0.5
207.10208	0.7
214.09984	0.2
217.08719	0.3
218.09515	0.7
219.13901	0.2
225.11269	0.4
230.31834	0.2
247.13397	0.5
278.93643	0.2
376.09766	0.2
428.29578	0.5
433.33273	2.4
434.33575	0.3
443.31586	0.6
446.30463	1.1
461.15848	1.9
461.32806	100.0
462.33167	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	461.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03977	1.0
52.05204	0.9
54.12070	0.8
57.03327	3.4
58.71167	0.9
59.01262	96.6
61.98707	3.8
69.03333	1.1
69.27892	2.8
69.28313	7.7
71.01266	8.2
71.04899	1.0
72.99205	5.3
73.01781	0.9
73.02831	4.0
83.01266	1.2
83.04905	1.4
85.02839	4.4
87.00745	1.8
89.02340	8.6
90.36101	0.8
91.03900	22.5
97.02839	1.7
97.06497	4.1
99.00770	2.0
99.04422	1.3
101.02354	3.9
103.00256	1.8
113.02347	3.2
119.04930	1.7
121.02863	1.2
125.02359	3.6
127.11230	1.1
130.97151	0.9
135.04454	2.4
137.02362	1.9
143.03398	1.0
145.02873	1.2
146.03671	0.9
146.99307	1.2
147.04424	1.1
151.00348	1.6
153.12839	2.2
155.10704	1.0
159.04509	1.2
161.02385	0.9
161.04506	2.0
163.03941	1.5
167.14398	0.9
171.10172	7.5
174.03235	1.0
175.03967	3.2
175.07472	1.0
179.10817	1.0
183.13857	2.8
185.11794	1.4
187.04070	1.0
189.05467	1.2
197.11797	5.7
200.04700	0.9
201.05591	1.5
202.02803	1.1
203.03510	3.2
203.07133	1.3
209.11862	1.7
211.13390	19.2
212.13631	1.6
213.05499	1.1
214.06273	1.0
215.07039	1.8
217.08742	2.0
221.11829	3.1
229.14470	11.6
231.06638	2.0
232.07312	1.9
239.12956	2.4
255.02991	1.8
283.02518	1.3
291.19800	5.1
292.20029	1.0
297.04114	1.6
298.04739	1.1
301.14563	1.0
309.20773	16.1
310.20975	1.2
319.08444	1.3
327.21814	100.0
328.22232	9.8
373.16873	1.4
390.15143	1.0
401.25345	2.4
417.15631	8.6
417.28543	4.0
419.12003	0.9
461.15048	13.6
461.31232	4.3
462.14938	1.6
481.25269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
61.98707	1.5
69.31529	2.4
69.31959	1.6
69.41087	0.4
71.01241	0.3
71.36945	0.4
72.14539	0.3
75.21467	0.4
91.33141	0.4
105.73302	0.4
113.86044	0.5
123.04413	1.4
135.04449	17.8
136.05281	4.9
137.06012	6.9
149.06036	0.4
163.03960	18.1
164.04744	19.1
165.05530	8.8
168.04175	0.6
178.06306	1.3
181.41739	0.5
196.02045	0.8
196.03738	9.6
197.04077	0.5
201.68787	0.4
203.07127	0.8
204.07802	0.5
218.09415	0.8
241.12694	0.5
313.28198	0.5
389.10495	1.2
411.21881	0.4
417.33923	1.5
428.29312	0.8
433.33258	2.7
443.14886	0.5
443.31750	0.5
446.30344	0.9
461.16412	2.4
461.32813	100.0
462.33151	14.6
475.44775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11838	0.9
56.83414	1.0
59.01263	100.0
62.55397	0.9
71.01270	13.4
71.14087	2.1
72.99216	2.1
85.02835	3.1
85.16337	0.9
87.00770	1.8
89.02335	17.0
93.03308	1.2
99.00730	0.9
101.02341	9.4
113.02316	6.3
119.03403	9.6
121.06455	1.3
125.02340	2.5
135.08051	1.8
143.03418	1.5
160.24792	0.9
161.04433	3.1
164.03436	1.3
173.09625	1.3
179.05574	5.4
191.10693	8.9
203.10609	0.9
221.11792	2.6
284.03094	1.0
318.88504	0.9
401.18161	13.2
402.18765	1.1
427.26028	1.0
451.85046	1.2
461.12656	1.2
461.20007	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	461.2189
Annotation	Aceroside VII
Peak:m/z	Relative Intensity
53.71891	0.8
59.01265	9.6
61.98727	1.4
69.90409	3.0
71.01264	4.3
72.99199	1.3
73.02840	0.8
78.11535	0.8
78.95786	1.3
81.03341	0.8
83.04869	0.8
83.35624	0.7
85.02842	1.7
89.02332	2.2
97.02840	1.0
101.02346	2.1
109.06501	5.0
111.03722	0.7
113.02372	1.9
113.31597	0.8
117.75007	0.7
119.03348	1.1
131.58827	0.7
132.05734	1.9
144.09323	0.7
149.06007	2.2
158.03688	3.3
163.11226	2.7
164.04704	1.0
171.04524	1.7
171.10188	1.1
181.12447	0.8
183.08147	3.1
189.99371	0.8
190.02658	1.2
193.08923	0.7
197.06055	6.4
207.10269	13.2
211.07661	7.0
212.08459	5.8
225.11331	12.3
253.09241	2.6
255.17470	3.8
275.20175	1.4
281.15533	100.0
282.15863	9.8
293.21176	1.2
299.16653	8.8
300.13748	0.7
314.52600	0.8
323.16647	3.8
341.17587	1.3
371.18829	1.2
401.15067	0.9
401.19772	3.2
461.21558	14.7
461.32727	3.2
462.22195	3.5
475.16232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2402
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
55.01770	4.6
57.03338	5.6
58.00483	2.5
59.01265	49.4
60.01587	0.6
61.98703	0.8
67.01767	0.3
68.99692	0.6
69.03341	3.3
71.01269	100.0
72.01617	1.3
72.01967	0.3
72.98781	0.3
72.99202	5.1
73.02834	34.8
74.03182	0.6
75.00771	1.9
81.03346	1.6
81.93327	0.3
83.01275	21.1
83.04900	0.4
84.01595	0.3
84.02059	0.6
85.02843	47.9
85.99992	0.7
86.03185	0.9
87.00768	4.8
87.04403	1.1
89.02336	21.1
90.02694	0.3
95.01288	6.6
96.00813	0.6
97.02844	5.0
99.00780	15.5
99.04426	1.0
100.01086	0.3
101.02345	67.6
102.02672	1.5
103.03911	7.9
109.02843	1.6
111.00801	0.9
112.00290	0.4
113.02354	33.3
114.02682	0.9
115.03926	1.4
115.04598	0.2
119.03429	6.8
119.04919	0.4
121.02846	0.5
123.04409	0.2
125.02364	8.6
127.03938	1.0
129.01860	1.6
131.03419	2.1
133.02849	0.3
134.05910	0.2
135.04440	1.7
137.02380	0.3
139.00313	0.3
143.03438	8.1
145.05008	2.3
146.03650	0.2
149.04532	0.2
151.00426	0.2
155.08211	0.8
159.01637	0.4
159.02936	7.6
160.03221	0.3
161.04498	60.0
162.04834	1.7
163.03984	0.4
163.06062	7.3
164.06328	0.3
165.01900	0.5
167.03419	0.3
170.05363	0.2
172.05003	0.2
173.06050	0.2
175.03925	0.4
177.01845	0.3
177.05528	0.9
179.05547	0.6
189.05551	0.3
199.16461	0.2
202.02660	0.5
203.03503	0.4
203.06990	0.3
204.34160	0.2
205.03526	3.4
205.07147	3.7
209.05615	0.3
215.07080	0.3
219.13943	0.4
229.04997	0.3
229.07082	1.5
232.07301	0.4
237.15010	0.7
247.08264	3.2
248.08351	0.2
255.03006	0.4
257.73297	0.3
258.09052	0.3
262.35388	0.2
269.04575	0.3
275.14047	0.3
283.02438	0.3
287.22296	0.4
297.17184	0.4
298.04865	0.4
299.05637	1.5
299.09305	1.7
307.10321	1.2
315.18182	52.3
316.18512	4.1
319.12997	0.4
333.19482	0.3
359.17224	1.0
401.24826	0.3
401.29306	0.5
417.15430	1.3
417.28546	0.3
461.15002	3.1
461.24023	46.3
462.14737	0.4
462.17416	0.3
462.24292	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	461.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22473	0.6
55.01773	0.7
55.18892	0.5
57.03335	2.9
59.01266	100.0
60.01606	1.7
61.01677	0.6
61.98722	1.3
69.03345	1.4
71.01270	20.7
71.51810	1.2
72.99217	2.4
73.02843	5.1
75.00766	3.3
81.03342	0.8
83.01286	2.6
85.02841	8.1
87.00774	2.8
87.04428	0.7
89.02346	12.0
91.01795	3.3
93.03386	1.7
95.01319	1.3
96.95911	0.8
97.02894	0.9
97.76080	0.6
99.00784	3.2
99.04431	0.9
101.02347	10.2
104.60899	0.7
107.01336	0.6
108.02112	0.7
109.02885	1.2
111.00793	0.8
111.04433	1.4
113.02351	8.1
113.06036	1.1
116.91273	0.6
117.18764	0.6
119.03432	5.9
120.13388	0.7
121.02902	1.6
123.04501	1.0
123.08112	1.2
125.02365	1.8
125.06010	4.1
131.03510	0.8
134.03691	1.6
135.00824	5.1
135.04443	1.0
137.02399	2.6
137.06068	1.1
137.09669	0.8
139.07631	0.9
143.03436	2.2
149.02386	2.7
149.06038	4.3
149.09700	1.5
151.00323	1.0
151.03986	0.7
151.07570	1.4
153.01926	0.6
153.09232	1.5
159.02921	1.4
160.03952	0.8
161.04492	8.6
161.09723	2.1
163.03975	0.8
163.07648	1.7
165.09198	2.2
166.02679	0.6
167.03453	14.8
167.10776	1.1
175.11441	0.6
177.01999	1.1
177.09241	0.8
177.12898	1.1
179.05620	2.3
179.07094	1.1
179.10725	4.7
187.07558	0.8
193.12407	1.6
195.10365	1.3
203.10785	10.9
206.09486	1.4
219.10400	1.1
220.11072	1.2
221.11839	35.0
222.12158	2.9
223.25481	0.6
227.03575	0.9
239.12878	3.0
247.08293	5.2
249.11310	0.6
254.18465	0.6
257.04651	1.3
271.02551	0.9
275.12994	1.1
285.04214	1.2
298.04968	1.2
299.02206	1.1
299.05865	1.1
299.09146	3.5
313.03745	0.8
329.08981	1.1
357.14786	1.5
371.07886	1.8
383.17261	1.9
391.35324	0.6
401.18179	11.5
402.18512	0.8
461.06369	3.1
461.13013	7.6
461.20151	1.2
462.07803	1.3
462.13950	1.3
462.20486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.5
58.00482	0.4
59.01264	24.0
61.30056	0.4
61.98719	1.3
69.03340	0.4
69.50633	0.8
69.51038	2.1
71.01268	9.3
71.04919	0.4
72.99201	3.5
73.02836	2.1
75.00763	100.0
76.01099	1.0
83.01269	1.3
83.04917	0.7
85.00926	0.3
85.02842	5.7
87.00764	2.3
87.04426	1.4
89.02341	6.0
91.00315	0.3
95.01293	0.7
97.02866	1.1
99.00792	2.0
99.04399	0.5
101.02341	6.1
109.02886	0.4
111.00838	0.5
113.02357	4.4
113.06018	0.4
119.03411	2.8
121.06475	0.6
123.04427	0.7
123.08083	0.6
125.02380	0.7
125.05995	1.5
135.08022	0.4
136.05215	0.5
137.02379	0.4
137.09662	0.8
138.06802	0.5
139.07495	0.4
143.03433	0.6
145.04958	0.4
147.08096	0.7
149.06090	0.6
150.06880	0.4
151.07564	1.7
151.11214	0.4
152.08319	0.5
153.09140	2.0
161.04468	2.4
161.09674	1.2
163.07549	0.6
165.09171	7.3
166.09375	0.4
167.03488	0.8
175.07715	0.4
177.09171	1.5
177.12816	0.4
179.05525	1.2
179.07060	0.4
179.10759	3.3
188.08533	0.5
191.10789	0.4
193.08757	0.5
193.12387	0.7
195.10269	1.4
203.10754	4.4
205.12347	0.6
206.09476	2.3
212.04317	0.4
218.09167	0.4
219.10236	0.9
220.11082	2.2
221.11829	19.7
222.12204	1.4
223.13417	1.1
235.08235	0.6
237.11275	0.5
239.12886	1.5
242.08070	0.4
247.08234	4.7
263.12726	0.4
281.13971	1.3
287.88336	0.3
313.12070	2.2
371.12408	0.9
371.16974	0.5
383.17087	1.2
401.13687	0.6
401.18289	6.5
402.18820	0.6
461.20508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86929	0.3
57.03335	0.7
59.01263	6.2
61.98727	0.7
65.00209	0.4
67.58889	0.3
68.99705	0.3
69.31336	2.9
71.01260	2.8
72.99198	1.0
73.02818	1.4
75.00771	0.7
77.03884	0.4
79.01794	0.5
83.01292	0.8
85.02863	0.9
87.00780	0.4
89.02345	1.6
93.03365	0.4
93.88416	0.3
95.01266	0.4
98.20609	0.4
99.04441	0.5
101.02341	1.4
105.03407	0.7
107.01282	0.7
108.02100	1.3
108.04483	0.7
109.02860	0.7
109.06520	0.5
111.00826	0.5
113.02377	0.9
119.03389	0.4
121.02865	1.3
123.00829	0.5
123.04424	0.7
125.02398	0.8
127.29982	0.3
131.01289	0.3
132.02104	0.8
133.02899	1.6
134.03648	2.6
135.00829	0.9
135.04480	0.3
136.01607	0.6
137.02390	0.9
145.02979	0.4
147.04445	1.5
148.01570	0.4
149.02373	2.1
149.04478	0.4
150.03192	0.5
150.05547	0.6
151.00337	0.3
152.01170	1.3
153.01906	0.5
153.06607	0.4
159.04431	0.4
161.02377	1.1
161.04530	0.7
163.00320	3.4
163.03873	0.4
164.01062	0.5
165.01935	1.5
165.05501	0.7
166.05086	0.3
167.54985	0.3
173.02371	0.6
175.00272	0.6
176.01102	0.6
177.01822	0.8
179.03455	0.9
180.10678	0.3
181.69531	0.3
182.03387	0.3
183.10269	0.3
189.01778	0.5
189.05528	0.4
191.03528	1.5
201.01985	0.7
202.02641	0.4
207.10229	0.6
214.06262	0.7
225.05591	0.5
225.11290	0.8
226.06317	0.4
227.03503	0.5
229.05040	0.7
233.04590	0.4
241.05113	1.6
242.02411	0.3
242.05862	0.3
253.05048	1.0
253.09026	0.4
254.05797	0.5
255.03026	2.0
256.03830	0.4
263.12906	0.6
268.03497	0.3
269.04587	3.2
270.01651	0.3
270.05341	1.8
271.02606	0.9
271.06125	0.5
273.07800	0.5
281.04666	0.4
283.02585	0.6
284.03296	1.6
285.04062	1.2
296.03256	0.8
297.04120	14.6
297.07645	0.9
298.04874	82.9
299.01947	1.0
299.05270	8.0
299.08636	0.6
308.03415	1.1
309.04114	3.0
310.04825	1.0
311.05643	1.0
313.03741	0.8
313.07233	13.4
314.07388	1.3
323.05576	1.0
324.02649	0.5
326.04373	8.1
327.04865	0.9
330.03842	1.1
339.04922	0.5
341.06717	100.0
342.07056	9.1
344.05170	0.4
353.06577	1.4
354.06921	0.3
356.05548	0.5
371.07831	3.9
372.07959	0.5
383.07791	0.5
461.10968	44.5
461.64871	0.4
462.11438	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	461.1104
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.76566	0.1
57.03332	0.3
59.01264	3.5
60.01637	0.1
63.02313	0.2
65.00240	0.3
70.72346	0.2
70.72678	0.1
72.99194	0.3
73.02832	0.5
74.30392	0.1
75.00764	1.6
77.98675	0.1
83.01290	0.3
85.02858	0.3
87.00766	0.3
89.02350	0.7
91.01765	0.3
99.00758	0.3
99.04444	0.2
101.02336	0.8
101.76748	0.1
103.72817	0.1
107.01295	0.5
111.57111	0.1
113.02353	0.5
119.01334	0.4
119.03429	0.2
119.04975	0.1
121.02876	0.4
125.02396	0.3
133.02893	0.2
135.00829	1.0
135.04489	0.2
145.02879	0.4
147.00862	0.2
148.01590	2.6
149.02264	0.1
150.03169	0.3
150.99101	0.2
151.00299	2.0
153.01866	0.7
158.03647	0.7
161.02388	0.3
161.04485	0.2
167.04967	0.2
169.03044	0.2
170.03664	0.2
171.04379	0.3
172.05273	0.2
173.98247	0.1
176.01106	1.3
177.01733	0.1
179.05585	0.1
183.04503	0.9
184.05180	0.2
185.02475	0.3
186.03090	0.2
187.03943	0.5
188.04620	0.2
189.01956	0.2
195.04391	0.3
196.02110	0.2
196.05273	0.4
198.03229	0.1
199.03976	0.7
200.04799	0.9
203.03436	0.1
211.04015	2.3
212.04742	1.5
213.01862	0.2
214.02678	0.5
215.03491	0.3
216.04315	0.4
223.03979	0.6
225.11249	0.2
227.03503	4.8
228.04170	1.0
231.06758	0.2
239.03514	2.0
240.04291	1.3
241.04860	0.3
242.02269	0.4
243.02995	0.1
253.04820	0.2
255.03030	45.2
256.03540	4.9
257.04050	0.2
267.03162	1.0
268.03818	2.1
269.04584	5.2
270.05048	0.5
271.02444	0.2
271.06168	0.2
280.03912	0.3
281.04541	0.5
283.02548	42.1
284.03299	71.9
285.03677	5.5
295.02432	0.4
297.04111	15.6
298.04858	13.0
298.08505	0.2
299.05661	100.0
300.06009	8.1
300.09479	0.2
301.07257	0.3
306.05447	0.3
313.07321	0.4
321.07880	0.3
323.05725	0.1
327.05127	0.2
341.06726	2.4
350.04544	0.1
365.06699	0.3
371.07953	0.2
401.21936	0.4
417.28598	0.1
446.08640	6.7
447.09015	0.6
450.55804	0.1
461.10995	42.0
462.11353	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	461.1101
Annotation	Tectoridin
Peak:m/z	Relative Intensity
50.21842	0.9
51.85690	1.1
59.01265	41.6
61.98721	2.9
70.99772	2.9
71.01291	6.3
72.99202	1.7
73.02847	1.5
75.00754	2.6
77.65835	1.0
83.01313	1.0
85.02837	2.9
86.97676	0.9
87.00755	1.4
89.02344	3.3
101.02339	4.0
106.79853	0.9
108.02030	1.3
109.43761	1.0
113.02334	2.0
119.03432	1.4
121.02847	1.7
125.02354	1.0
125.41814	0.9
130.25665	0.9
135.00801	2.4
135.04437	1.8
137.02382	1.0
139.00243	1.1
152.01109	1.1
152.06987	0.9
153.01875	1.7
161.04538	1.3
163.00320	2.2
183.04416	1.2
211.04015	8.5
215.03421	5.5
227.03513	14.4
229.67160	1.2
239.03424	4.5
255.03032	26.7
256.03598	2.4
269.04532	2.3
280.03793	3.3
281.04498	3.9
283.02536	75.1
284.03122	13.6
285.04080	2.2
293.41327	1.1
297.04071	7.9
298.04874	12.3
299.02426	1.3
299.05524	5.0
299.09210	2.6
313.03574	1.4
313.11972	1.7
327.05151	1.0
380.11206	1.3
398.37762	1.1
401.18054	1.5
446.08600	3.6
461.10956	100.0
462.11444	12.0
473.80090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3492
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
51.48123	0.6
54.16100	0.6
59.01257	1.5
61.98709	0.6
62.16602	0.6
63.74513	0.5
68.85150	0.6
68.88230	0.6
71.52112	1.2
78.95804	0.7
137.06013	11.4
137.06981	1.0
152.99583	2.3
165.05528	13.1
165.06824	0.8
189.12776	4.8
191.14517	2.1
205.15926	5.8
207.17532	22.5
208.17953	1.9
220.02094	0.7
221.15654	1.3
251.16534	4.1
252.16820	0.6
253.18217	2.3
277.22092	1.2
397.31689	0.9
399.32776	6.5
415.35947	18.9
416.36533	2.0
441.33963	2.0
459.35214	100.0
460.35635	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	459.3128
Annotation	Polyporusterone G
Peak:m/z	Relative Intensity
59.01254	2.5
59.57527	1.6
60.96592	1.7
70.63056	1.5
71.01263	2.6
71.55125	2.6
89.02299	2.3
121.02790	1.8
135.04446	4.6
136.05260	11.7
137.02318	2.7
137.06024	3.4
149.02393	2.1
149.06033	1.5
152.04707	4.3
152.31169	1.7
162.06706	1.7
163.03929	1.9
164.04727	28.7
168.04201	2.5
196.03749	10.4
199.07611	1.9
203.07138	2.5
279.23334	4.8
295.26395	2.5
316.69595	1.8
371.57864	1.5
396.17709	1.5
397.31445	3.7
419.13910	1.8
423.28979	4.5
431.31525	4.4
441.29993	10.9
459.31155	100.0
459.37833	10.3
460.31418	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	459.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21129	0.3
57.03331	0.9
59.01265	100.0
60.01605	0.9
65.00189	0.3
69.03342	0.4
70.43810	1.1
71.01274	7.0
72.01605	0.3
72.99215	0.9
73.02830	2.1
75.00769	0.6
78.34924	0.3
83.01287	1.1
85.02838	2.7
87.00779	0.8
88.38660	0.3
89.02348	1.8
93.03363	0.9
95.01299	0.5
96.59704	0.3
96.95925	2.4
97.02884	0.5
99.00783	0.7
101.02341	3.2
107.01311	0.5
108.02114	0.8
109.02882	1.2
111.08097	0.9
113.02357	2.3
117.03359	0.5
119.03387	0.5
119.04879	0.5
121.02868	0.6
123.04412	0.8
124.37521	0.3
125.02381	0.8
131.80602	0.3
137.02394	1.0
139.07576	7.1
140.07889	0.4
143.03432	0.5
151.00322	1.3
152.01054	0.9
153.01907	1.1
154.17809	0.4
159.02980	0.5
160.03961	1.6
161.02429	0.6
161.04495	2.7
163.00275	0.3
165.01810	0.4
165.05634	0.4
169.02707	0.4
175.04031	0.4
189.01891	0.3
195.10324	0.8
203.05675	0.6
238.34776	0.3
243.96613	0.3
268.07220	0.4
279.08893	0.4
283.06299	1.0
297.04041	0.3
298.05045	0.5
311.05667	0.4
339.05118	2.0
339.14639	1.6
357.15720	2.3
369.06171	2.2
388.44852	0.3
399.16693	4.8
459.09482	3.0
459.13971	0.5
459.19852	3.4
460.09628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35583	0.6
55.97477	0.5
59.01267	3.9
71.01264	2.5
71.51646	1.0
73.02834	46.0
74.02360	0.7
74.03175	0.9
75.00741	1.1
86.37807	0.5
87.00794	1.0
87.66758	0.6
89.02332	3.0
99.00779	6.2
101.02335	1.4
101.54653	0.5
108.02060	0.7
109.02913	0.7
113.02351	1.0
115.00304	0.9
116.92766	7.5
117.01849	100.0
118.02196	2.3
118.05032	2.4
119.03439	0.9
151.00308	1.5
153.01828	0.6
179.05608	0.7
267.07391	1.0
341.10898	2.8
353.94144	0.6
459.11380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
59.01269	10.6
59.01567	0.6
60.99096	0.4
65.03845	0.8
67.01770	0.5
69.56385	1.5
69.56821	1.5
71.01275	2.5
72.99215	0.9
73.02835	1.5
75.00789	0.4
83.01270	0.6
85.02828	1.1
87.00774	0.6
87.04375	0.4
89.02349	1.8
89.03868	0.6
89.05978	2.9
91.05424	0.5
93.03358	10.9
98.19823	0.9
101.02337	1.2
105.03382	0.6
106.04157	1.3
108.02078	1.1
109.02864	12.3
110.03217	0.4
113.02371	0.8
116.92762	0.6
117.03369	3.0
119.04942	16.8
120.05280	0.6
121.02885	3.5
123.04462	1.0
125.02367	0.7
132.38048	0.4
133.02878	8.8
133.69107	0.4
135.04436	2.5
143.04977	2.5
145.02859	0.8
147.04460	6.4
148.01637	2.6
149.02367	1.2
149.06033	0.5
151.00316	0.9
159.04463	4.3
161.02382	10.8
161.04463	0.9
162.02759	0.5
163.03903	0.9
175.03882	0.6
183.08105	1.5
185.09776	0.5
187.04010	3.5
189.01791	0.4
191.03473	5.3
193.06564	0.6
203.03427	1.9
207.08188	0.9
209.06079	1.0
209.09709	4.1
210.06754	0.5
211.07631	2.4
217.08525	0.4
224.04858	1.3
225.09216	0.4
235.07712	0.4
237.05583	0.8
237.07727	6.6
238.06357	3.8
251.07204	4.4
252.07961	3.9
253.08734	90.6
254.09071	6.9
267.06628	0.9
283.06262	0.9
295.02933	0.5
295.06137	0.8
295.09921	0.4
296.06952	2.9
297.07736	100.0
298.04910	0.6
298.08051	8.1
311.05640	1.2
315.07452	0.6
369.06119	0.9
459.13828	7.5
460.13864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.3
59.01264	3.3
61.98756	0.3
65.00207	0.8
65.03839	1.1
67.01780	0.5
68.99699	0.5
71.01268	0.6
71.51935	0.5
72.99194	0.4
73.02822	0.4
75.00790	0.3
82.75320	0.3
83.01286	0.6
84.16404	0.3
85.02841	0.5
87.00785	0.3
89.02351	1.0
89.03867	0.5
91.05428	0.4
93.03358	12.6
95.04931	0.3
101.02349	0.5
106.04153	1.2
107.01288	1.1
107.04963	0.4
108.02081	1.2
109.02863	14.0
110.03170	0.4
117.03376	3.3
119.04943	20.1
120.05300	1.0
121.02866	1.3
122.03693	0.5
123.04455	1.2
125.02354	0.3
131.04950	0.6
133.01854	0.5
133.02881	9.7
133.06514	0.6
134.03297	0.3
135.04453	3.6
138.03133	0.3
143.04979	2.7
145.02870	0.8
147.04456	6.3
148.01596	2.9
149.02327	0.8
151.00298	4.8
152.00642	0.3
153.02000	0.3
159.04465	5.9
159.12260	0.3
160.04993	0.3
161.02408	0.8
163.03920	0.6
165.05444	0.3
175.04068	0.4
177.70943	0.3
178.99890	0.4
183.08101	1.8
185.09712	0.6
187.03961	2.8
190.02649	0.3
191.03482	4.8
193.06519	0.5
194.07339	0.6
195.04462	0.3
203.03496	1.3
207.08160	1.6
209.06142	0.5
209.09703	5.4
211.02371	0.5
211.07651	3.6
224.04778	1.8
225.09230	0.7
235.02522	0.4
235.07556	0.6
237.05623	0.6
238.06317	4.0
251.07155	2.7
253.08736	90.4
254.09068	7.2
267.06662	1.3
268.03815	0.4
269.04691	0.8
283.06250	0.8
296.03314	0.4
297.07736	100.0
298.08057	8.8
299.05643	0.4
311.05582	0.4
339.05234	1.0
369.06226	0.9
382.05933	0.3
393.19577	0.3
415.08865	0.4
459.09927	2.4
460.09503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.11
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26256	0.4
59.01255	2.1
61.98716	100.0
65.00212	0.5
71.52335	0.6
81.97784	0.4
82.04941	0.5
104.32243	0.4
107.01324	0.8
116.92857	0.5
151.00282	2.8
153.15935	0.5
185.09721	0.5
189.69211	0.4
198.76889	0.4
294.05676	0.5
453.48999	0.5
459.11621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34678	0.4
59.01268	3.6
61.98713	1.0
63.12438	0.5
65.00191	0.8
71.52315	0.9
109.02869	0.5
111.17082	0.5
121.02847	0.6
129.03374	0.6
133.02885	0.8
134.03625	1.4
143.01268	0.5
157.02884	1.5
159.04489	0.5
161.02388	5.3
169.02908	1.9
173.02400	0.7
177.09201	1.4
185.02486	1.1
189.09174	1.9
197.02594	0.6
199.00406	0.8
201.01917	1.4
201.09103	0.7
213.01900	4.9
214.99821	1.2
216.00584	1.2
217.01393	1.6
228.00655	2.4
229.01404	1.8
240.00713	1.1
240.99126	0.9
241.01437	13.2
242.01965	1.5
243.03032	0.9
245.00908	0.9
253.01457	2.5
254.02226	2.3
255.03047	0.8
257.00812	0.7
261.05521	0.5
268.00095	1.8
269.00980	13.1
269.14026	0.5
270.01343	1.4
275.12949	0.7
278.05768	0.5
281.01068	0.6
282.01721	2.0
292.04013	0.5
305.04807	0.8
306.05365	1.3
317.04636	0.8
333.04132	0.7
334.04825	0.9
341.04367	0.5
344.03271	0.8
345.04105	0.9
347.02057	1.2
357.03992	0.7
361.03763	2.6
362.04358	5.8
373.03430	2.3
373.11230	0.5
389.03186	0.9
390.03870	3.3
401.02960	0.8
403.04404	0.8
403.12149	1.1
404.05029	0.9
413.10507	0.9
416.09402	0.9
419.56110	0.5
431.11371	4.3
459.10913	100.0
459.31790	2.7
460.11249	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	457.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55062	3.0
69.55474	0.9
99.92484	4.8
100.93275	2.2
115.91991	100.0
116.92004	5.0
116.92786	6.4
132.92276	0.9
172.95433	6.3
230.05379	0.7
276.67703	0.6
311.85291	0.6
339.27069	0.5
409.20828	1.2
439.21820	0.7
440.52695	0.6
457.22772	7.3
458.22934	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	455.354
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.67845	0.1
65.72851	0.2
71.01692	0.1
71.09447	0.3
80.98872	0.1
131.29927	0.1
175.59506	0.1
270.13977	0.1
407.33017	1.0
455.35400	100.0
456.35730	16.3
456.42322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02277	0.3
59.01279	0.6
70.06707	0.5
70.07117	1.1
81.03022	0.3
83.56867	0.3
152.17056	0.3
158.86845	0.3
181.90967	0.3
216.69757	0.3
411.32272	0.4
455.35455	100.0
456.35797	15.1
469.79510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00002	0.4
58.79111	0.6
59.01264	56.6
61.69276	0.4
70.23375	1.0
70.23732	1.3
71.01261	0.5
71.44511	0.5
72.99200	0.5
77.78354	0.5
87.00748	0.6
96.60873	0.5
105.74403	0.5
112.73534	0.4
119.04944	71.0
120.05285	3.1
129.42229	0.5
192.10332	0.5
234.11371	100.0
235.11720	6.0
345.48776	0.5
455.35608	0.7
456.35596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	22.1
59.78772	2.0
66.34115	2.0
69.19956	2.3
70.63843	3.2
70.64240	4.7
80.39354	2.2
100.59724	2.2
101.02335	2.9
114.95235	1.9
119.04945	80.6
120.05309	2.1
190.86226	2.3
194.02130	2.4
234.11377	100.0
235.11711	6.1
236.06972	3.2
251.09303	8.8
338.08130	2.2
345.34198	2.4
397.17712	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	457.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.1
57.03339	1.2
58.00482	3.7
59.01265	69.1
60.01591	0.7
62.69409	0.3
62.83467	0.4
65.79968	0.4
67.01778	0.5
68.99686	0.4
69.03345	7.9
71.01270	77.1
72.01598	1.1
72.99192	4.3
73.02836	9.9
75.00764	3.9
81.03342	4.1
83.01279	4.7
83.04919	0.7
85.02841	8.3
87.00774	2.4
89.02339	100.0
90.02672	1.4
93.03353	0.5
95.01284	2.4
97.02854	11.7
98.19753	1.0
99.00780	17.1
99.04431	2.1
100.01158	0.5
101.02348	15.7
102.02665	0.5
107.01264	0.5
109.02887	1.2
111.00805	2.1
113.02366	8.5
115.03915	6.8
115.05075	0.8
117.03351	0.5
119.03432	2.3
119.04966	0.6
121.02873	0.6
121.06517	1.4
125.02370	47.4
126.02734	1.6
127.03973	1.8
130.08676	1.6
131.03424	12.6
134.19830	0.4
135.02972	0.4
135.08136	0.4
137.02411	0.5
143.03445	3.6
145.05005	0.7
147.04477	0.9
148.05243	58.6
149.04509	14.6
149.05589	2.1
161.04486	2.6
163.03938	1.5
163.07590	16.8
164.07939	1.0
173.04550	0.9
175.00433	0.4
191.05576	9.9
211.13358	0.4
215.05620	1.0
233.06679	38.0
234.06990	1.5
270.21744	0.6
292.01599	0.4
293.08853	33.5
294.09061	1.9
309.04251	0.7
337.03662	4.1
338.16183	1.5
340.17682	0.6
341.11252	0.4
398.10321	0.5
413.12439	1.1
413.24246	1.5
457.07956	1.5
457.17157	0.7
457.27151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	8.6
69.54062	12.9
69.54478	4.6
71.04906	90.5
82.66126	2.0
98.19934	3.5
115.03976	5.7
194.42346	2.7
291.42291	2.6
295.26373	4.0
297.28046	3.0
339.29263	9.0
357.30194	51.0
358.30713	7.8
455.35703	100.0
456.35867	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	455.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21713	0.3
59.01259	0.6
59.92087	0.3
64.37677	0.3
64.43518	0.3
70.78362	0.7
110.53168	0.3
129.11792	0.3
131.34926	0.2
137.23395	0.3
367.29971	0.4
369.30536	0.7
454.41162	0.4
455.35437	100.0
456.35791	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	455.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90354	1.0
55.01774	1.4
57.03326	2.7
58.00469	2.0
59.01266	58.2
61.98721	10.8
69.28429	6.6
69.28844	3.4
71.01273	35.7
71.01671	1.8
72.99212	3.2
73.02834	16.2
75.00775	1.2
83.01270	8.5
85.02850	12.7
87.00761	2.3
89.02334	21.1
95.01314	1.9
98.20519	2.2
99.00778	5.0
101.02343	34.9
102.02679	1.2
103.29845	1.1
111.00789	1.7
113.02354	14.2
114.05521	1.4
119.03354	1.9
125.02354	3.0
131.03423	8.9
149.04518	5.5
149.05653	1.1
159.02892	1.2
161.04526	8.5
208.04256	1.2
233.15445	1.1
249.55762	1.2
263.15024	23.8
284.61993	1.2
335.05701	1.9
395.19293	100.0
396.19812	8.8
455.09860	6.3
455.15839	1.7
455.35464	11.4
456.19159	5.6
456.35602	1.6
461.78107	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	455.1724
Annotation	Kushenol G
Peak:m/z	Relative Intensity
57.03325	0.5
59.01262	4.1
61.98722	3.4
71.01286	2.3
75.00739	0.9
85.02839	0.8
85.19458	0.4
86.65408	0.5
87.00782	0.6
88.60246	0.4
89.02349	1.7
95.04919	0.7
96.99203	1.1
97.06483	1.1
98.66949	0.6
101.02338	1.2
109.02824	0.7
109.99151	0.5
113.02369	0.6
125.05997	2.2
129.01846	2.9
133.02873	1.4
135.04430	0.6
137.02357	0.7
143.77115	0.4
148.01595	0.7
149.02385	1.4
151.03938	0.9
161.02403	2.1
161.04362	0.4
167.06984	0.7
175.03856	0.7
177.01965	0.8
205.08704	0.6
215.03566	1.2
221.08229	0.6
227.03508	0.9
229.81673	0.6
229.83940	0.6
239.07141	0.6
267.06747	0.7
271.44571	0.5
279.06601	0.7
281.04434	0.5
283.06076	0.8
293.04831	0.5
293.14050	4.1
295.06146	1.8
297.07941	0.5
311.05600	3.8
312.06216	0.5
322.04880	0.7
323.05637	11.5
324.06171	1.4
335.05621	5.2
337.07333	0.8
341.06726	7.3
350.07773	0.5
351.08737	0.9
353.06757	7.3
354.07330	0.9
363.08878	0.9
365.10422	2.1
377.10135	2.3
379.11194	1.4
381.09772	0.8
388.08240	1.4
395.11621	1.4
409.12976	0.6
410.13770	4.5
411.14325	0.7
422.13800	5.7
423.14255	1.0
425.16113	1.1
437.15933	5.4
438.72626	2.3
439.23221	1.0
440.14886	21.7
441.15164	2.3
454.74130	1.9
455.17215	100.0
455.35342	14.1
456.17557	14.4
456.35947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1722
Annotation	Kushenol G
Peak:m/z	Relative Intensity
57.03320	0.8
59.01266	2.1
60.74209	0.6
61.98714	0.9
63.70411	0.7
71.25890	1.6
82.74532	0.8
85.02863	1.2
109.02840	1.4
133.02884	2.0
145.80162	0.8
148.01620	1.7
161.02379	5.5
165.59372	0.7
189.01878	1.6
211.07558	1.0
215.03467	2.7
227.03528	1.3
239.07112	0.8
273.11298	1.0
275.13007	4.7
279.06750	0.8
283.06226	1.0
295.06317	0.7
311.05658	7.9
323.05670	31.5
324.05994	1.9
335.05649	2.8
351.08890	1.2
366.11151	16.1
367.11777	1.5
373.06943	1.5
377.10437	3.0
378.11121	2.1
379.07849	1.7
379.12076	2.9
381.13425	8.0
382.13837	1.3
393.13617	3.8
395.11435	2.8
397.09402	1.2
404.12872	1.2
411.32938	0.9
419.14923	1.2
422.13721	3.2
437.15958	7.9
438.16800	0.9
440.14871	12.5
441.15005	1.6
455.17218	100.0
455.30750	3.7
456.17609	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	454.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37906	0.3
59.01263	2.2
61.98716	5.2
69.34952	1.2
69.35362	1.6
71.01260	0.9
73.02852	0.4
73.14078	0.4
77.59325	0.3
85.02872	0.3
85.65966	0.3
87.00750	0.7
98.02361	0.4
108.04451	0.4
109.02818	0.4
109.05245	3.5
110.06063	1.7
118.06548	3.2
119.04975	0.5
121.05261	8.1
122.06052	3.7
123.06841	2.6
124.07614	0.9
129.47899	0.4
132.04501	0.4
135.04506	0.4
136.07631	0.5
139.06342	3.0
146.06052	19.3
147.06445	0.8
148.03952	0.4
150.81929	0.4
164.07140	0.5
165.95691	0.4
168.06589	1.6
178.04878	0.4
179.05756	0.8
179.08221	0.4
184.81064	0.4
185.58513	0.3
190.07475	0.5
198.09201	0.4
212.10786	1.1
213.10339	2.6
214.12424	0.4
226.07503	1.1
226.12329	0.7
227.08238	5.6
227.11850	0.7
239.08337	0.6
240.09111	1.1
241.09848	13.6
242.10519	3.3
243.11299	0.6
253.09827	1.3
254.10570	0.7
255.11438	8.5
256.12079	1.1
267.11420	2.1
268.12149	3.3
269.12991	6.0
270.13663	3.1
271.10968	2.1
271.13943	0.4
272.11478	0.5
274.09573	0.5
285.12482	1.9
286.10034	0.5
286.13281	8.9
287.13736	0.6
288.11209	2.3
300.11230	5.7
301.11661	0.6
302.12845	3.9
303.13196	0.5
313.11899	0.6
314.12848	1.4
318.12280	5.5
350.15170	0.5
380.19824	4.1
381.20386	0.4
392.19901	9.5
393.20059	1.0
410.20905	4.8
411.21265	0.8
436.18915	4.6
437.19385	0.6
454.19940	100.0
455.10168	0.5
455.20297	13.6
455.35382	0.7
465.50558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89727	0.3
51.95850	0.2
53.51017	0.2
55.88232	0.2
57.03336	0.3
57.89483	0.2
59.01268	1.5
61.98716	5.4
67.18296	0.3
71.01260	0.8
71.59923	0.3
83.02388	0.3
85.02844	0.3
89.02340	0.4
93.03360	0.3
98.02375	0.4
99.00768	0.3
99.68769	0.2
101.02367	0.4
102.29578	0.2
108.02103	0.6
108.04454	0.2
109.05239	1.6
110.06047	1.4
112.18420	0.2
118.06531	3.6
121.05255	7.0
122.05399	0.2
122.06046	2.8
123.06839	3.5
124.03868	0.3
124.07573	0.5
125.02334	0.7
126.01891	0.4
138.05531	0.4
139.06349	1.3
146.06046	18.3
147.06479	0.8
148.07632	0.4
152.01085	0.3
162.05345	0.3
166.05119	0.3
166.87642	0.3
168.06609	0.8
179.05803	0.9
181.75676	0.2
190.07454	0.6
198.09265	0.4
211.85847	0.2
212.10835	2.3
213.10359	1.0
214.11058	0.3
216.05392	0.3
225.10350	0.4
226.07504	2.2
226.12413	1.5
227.08276	15.1
227.11880	0.8
228.08632	1.1
228.12477	0.3
239.08261	0.6
240.09090	0.8
241.09846	21.5
242.10548	5.4
242.22522	0.3
243.11259	0.3
253.09819	1.4
254.10519	0.7
255.11421	14.6
256.12009	1.6
257.08170	0.3
257.12921	0.4
267.11450	1.7
268.12167	3.9
269.13000	6.6
270.13745	4.1
271.11011	0.4
271.14340	0.6
274.09500	0.5
274.81946	0.3
284.11719	0.4
285.12506	0.8
286.13229	3.0
288.11258	1.6
295.10938	0.5
299.10498	0.5
300.11230	5.4
301.11435	0.4
302.12772	3.9
303.13034	0.4
314.12808	2.4
318.12268	1.9
348.13620	0.3
349.19510	0.3
364.16653	0.5
380.19833	2.9
381.20074	0.3
392.19879	7.9
392.24857	0.6
393.20105	0.8
410.20868	1.8
418.08582	0.5
418.17670	0.4
424.19016	1.0
436.18829	4.3
437.19128	0.6
454.19925	100.0
455.20248	13.7
455.26938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3386
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
52.95806	0.6
62.48268	0.5
69.48734	3.1
69.49142	1.0
93.30355	0.6
97.06579	0.7
98.19914	1.2
126.09904	0.6
137.52855	0.6
147.97725	0.6
160.31117	0.6
191.35867	0.6
211.71860	0.6
245.02025	0.8
279.23334	4.0
407.33081	1.2
420.69485	0.6
453.33868	100.0
454.34241	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	454.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.0
61.98719	2.5
71.01260	0.7
71.54059	0.4
72.99220	0.4
73.02810	0.4
73.44700	0.3
85.02845	0.4
87.00749	0.4
95.04899	0.3
101.02338	0.5
103.30792	0.3
108.04471	0.4
109.05224	2.1
110.06045	2.3
118.06554	3.2
119.04934	0.8
121.05256	8.2
122.06062	3.9
123.06833	3.3
135.04457	0.3
139.06313	1.2
146.06055	19.7
147.06482	1.0
150.05545	0.7
161.04674	0.4
168.06613	0.8
177.13188	0.3
179.05785	0.7
186.09155	0.3
190.07408	0.9
198.09253	0.4
212.10834	3.1
213.10257	1.5
216.05299	0.3
225.10297	0.6
226.07526	2.1
226.12386	1.8
227.08255	16.1
227.11922	0.7
228.08577	1.1
239.08223	0.5
240.09109	1.0
241.09850	23.5
242.10538	6.2
243.11290	0.9
253.09871	1.4
254.10594	1.1
255.11424	15.7
256.11835	1.7
257.12924	0.4
267.11487	1.6
267.66534	0.3
268.12213	3.5
269.12991	7.3
270.13699	4.0
271.11075	0.5
271.14273	0.5
273.12393	0.3
285.12491	0.8
286.09967	0.4
286.13214	3.4
288.11212	1.6
295.10709	0.4
300.11218	5.5
301.11710	0.8
302.12769	4.2
313.11975	0.7
314.12750	2.4
314.76361	0.3
318.12314	1.9
364.16605	0.4
380.19852	3.0
381.20276	0.3
392.19928	8.3
393.20105	1.1
394.18213	0.3
410.21063	1.9
418.17844	0.5
424.18967	1.0
436.18857	6.4
437.19037	0.6
454.19931	100.0
455.10388	0.6
455.20239	13.1
455.35144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03326	1.5
58.02826	0.5
59.01267	50.2
60.01586	0.8
61.98718	3.7
68.90074	0.4
70.56300	1.5
71.01272	6.1
72.99191	0.9
73.02831	3.4
75.00725	0.5
83.01279	0.7
85.02837	3.7
86.09420	0.5
87.00768	1.3
89.02351	1.6
95.01299	1.1
97.02879	0.5
99.00801	1.2
101.02350	4.1
108.02106	1.1
109.02836	0.7
113.02377	5.8
117.05493	100.0
118.05839	2.3
125.02332	0.8
137.02350	0.7
147.05594	0.6
149.50456	0.5
152.01106	0.7
159.02936	1.2
161.04520	3.1
167.93961	0.5
175.05157	0.7
189.06680	0.8
197.33072	0.5
217.94189	0.5
221.10301	6.6
235.00887	0.5
247.00647	0.7
253.05244	0.6
263.11310	0.8
299.10529	0.6
309.11096	1.2
335.13547	11.7
353.14603	22.9
354.14746	1.0
393.17947	1.3
393.28543	3.3
395.15549	1.0
453.11465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11894	0.3
56.22380	0.3
59.01250	1.1
71.01274	0.3
71.56081	0.6
79.32867	0.3
85.02844	0.5
93.03354	0.6
107.04922	0.6
109.02881	1.8
121.02895	1.6
121.93966	0.3
123.04430	0.6
131.94095	0.3
133.02872	3.3
135.04431	2.6
145.95639	0.3
148.01593	1.0
149.02359	1.2
150.03224	0.4
159.04416	0.5
161.02382	0.6
175.03929	0.5
177.01959	0.4
184.05234	0.4
187.03911	0.6
187.07657	0.6
199.07619	0.5
201.02084	0.4
203.07178	0.6
213.05464	0.5
215.03424	0.8
215.07014	0.4
217.08766	0.7
225.01953	0.5
229.05058	0.8
230.05716	0.5
235.03970	0.4
237.05453	0.5
239.07149	0.5
241.05019	0.4
243.06627	1.3
243.10194	0.4
251.07172	0.4
252.03804	0.4
253.05090	0.6
255.06482	0.5
261.11453	0.7
265.05103	0.5
266.05756	0.4
267.06543	0.8
269.05011	0.4
269.08109	1.6
277.05161	0.4
278.05670	0.6
279.06442	0.4
293.04666	0.4
294.08963	0.3
295.06155	0.7
297.04080	0.5
298.04956	0.4
301.10980	0.7
306.05096	0.4
307.10040	0.4
309.04129	3.1
309.07535	0.7
309.11395	0.7
313.07263	0.4
319.02524	1.0
320.10541	0.4
321.07639	0.7
321.11331	0.5
322.04865	0.6
323.05606	2.0
333.04102	1.1
333.11426	0.6
334.08484	0.5
335.09283	0.8
339.12405	0.5
345.07629	0.4
346.08246	0.4
347.09384	0.4
348.09973	0.9
349.06836	0.4
349.10779	1.4
350.07996	0.6
351.08618	1.1
352.09555	3.4
353.10251	0.4
360.10757	0.4
361.07306	0.4
362.07697	0.4
363.08737	1.3
364.09488	3.2
365.10074	0.7
366.11172	0.7
367.12048	1.8
373.47269	0.4
375.08731	0.8
376.09549	0.4
377.10364	24.1
378.10681	3.3
379.11832	0.8
380.08951	0.4
394.10413	0.6
395.11429	5.6
396.11673	0.8
417.13525	2.0
420.11905	0.6
421.12949	0.8
422.13403	0.6
435.14505	6.5
436.14847	1.1
438.13400	1.5
453.15622	100.0
454.15955	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	453.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26591	0.3
57.06266	0.3
59.01257	1.0
69.44467	3.0
71.01275	1.0
78.95793	99.8
84.31170	0.4
85.02852	0.5
87.00765	0.4
89.02353	0.5
96.96864	1.3
98.20544	0.5
100.05526	0.4
110.89874	0.9
110.98437	100.0
111.98804	0.8
113.02318	0.5
113.59491	0.3
145.01343	0.4
269.13940	0.4
341.11108	0.6
362.92752	0.4
379.76624	0.4
453.10272	3.8
453.15475	0.5
454.12415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55562	0.3
61.13806	0.3
71.32251	0.8
79.01769	1.3
105.03365	0.6
109.02851	1.0
111.04417	1.7
119.04910	0.3
120.38478	0.3
121.02860	0.7
122.03670	1.9
123.04441	0.6
133.02850	1.6
135.04454	1.1
136.01602	0.5
147.00819	0.4
148.01601	1.3
149.02379	25.5
150.03186	4.0
151.03960	0.7
152.69817	0.4
159.04428	0.5
161.02400	2.4
163.03998	0.7
163.07614	0.4
174.03142	0.4
175.03990	1.0
177.01888	5.2
177.05214	0.4
178.02704	2.1
187.07516	0.6
199.07492	0.4
201.01912	1.2
202.02715	0.4
203.03452	0.8
203.07135	0.6
210.01617	0.3
211.07581	0.5
212.04724	0.4
213.05621	2.2
213.09309	0.4
223.07520	0.4
224.08600	0.4
225.05566	0.8
227.07260	0.5
231.06537	0.8
237.09119	0.3
239.07124	1.4
239.15372	0.3
240.04037	0.4
240.07857	1.2
241.05196	0.6
245.08151	0.5
247.36603	0.3
253.05043	0.7
254.05984	0.6
255.06619	0.9
255.10104	0.4
257.08255	0.5
265.04800	0.4
266.05954	0.4
267.06616	1.5
268.07352	0.5
269.04660	0.9
269.08139	0.9
275.12704	0.4
283.06238	3.4
284.06860	1.4
285.07684	1.3
294.05313	0.4
295.06088	0.6
297.04141	3.8
299.32675	0.4
311.05673	16.6
312.06400	11.4
313.07205	14.1
313.10941	0.4
314.07434	1.2
325.07285	0.6
344.05426	9.1
345.05972	0.6
347.09415	0.5
364.09421	0.4
365.10385	4.1
366.10703	0.6
381.09912	0.5
382.10690	1.1
383.11383	6.0
384.11633	0.9
405.82617	0.4
414.09628	6.4
415.10107	1.0
435.14594	2.6
453.15637	100.0
454.15994	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	452.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27953	1.3
55.43238	1.2
59.01263	100.0
61.37419	1.4
61.77881	1.2
61.98705	1.9
71.01271	4.4
71.58749	1.4
73.02821	1.5
83.01289	1.3
89.02341	2.9
89.02853	1.2
101.02332	6.4
116.60143	1.2
119.03401	3.6
119.04938	25.5
120.05251	1.4
128.03481	2.1
145.02867	15.7
146.03380	1.2
147.07692	1.3
152.01079	1.8
158.03659	1.8
159.04431	2.5
160.04019	6.6
161.04494	1.5
162.03900	1.4
180.04140	1.5
187.03961	2.1
230.08231	13.0
243.08882	1.6
248.09267	9.4
272.09305	14.6
288.57831	1.2
290.10361	9.8
350.34296	1.3
392.13538	11.1
452.12454	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	452.2793
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
59.01261	0.3
61.98727	0.2
62.96295	0.2
69.13197	0.1
70.76080	0.3
70.76423	0.2
78.95792	22.5
96.96851	0.3
98.97063	0.2
105.30301	0.2
122.00047	0.7
135.81213	0.2
139.09306	0.2
140.01117	5.8
152.99525	2.3
166.02742	0.3
171.00569	1.0
196.03769	9.3
197.04164	0.3
198.56934	0.2
214.04840	2.2
237.22127	0.2
255.23323	100.0
256.23663	8.9
256.26437	0.3
402.61578	0.2
439.34149	0.2
452.27924	35.9
453.28238	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.1
57.42522	0.1
57.99313	0.1
58.02843	0.2
59.01002	0.1
59.01267	1.0
60.01604	0.1
61.98714	0.8
65.03817	0.1
69.03336	0.1
69.35172	0.2
69.35596	0.3
71.01263	0.3
72.04413	0.1
73.02838	0.1
75.00746	0.2
80.04947	0.3
81.03350	7.3
82.03673	0.2
82.06502	0.1
83.01272	0.1
83.04916	21.1
84.04463	0.1
84.05255	0.5
85.02811	0.1
87.56236	0.1
89.02340	0.3
93.03356	0.1
97.02859	0.1
99.00798	0.1
100.07573	0.2
101.02339	0.3
107.06062	0.8
108.04459	0.8
108.06416	0.1
109.02898	0.1
113.02364	0.1
125.02354	0.6
125.07130	2.8
126.02762	0.1
126.05534	0.5
126.07429	0.1
127.02821	0.1
133.02896	0.1
137.02361	0.2
143.08199	1.5
150.81822	0.1
152.01128	0.1
153.01883	0.1
157.13419	0.1
159.02899	0.1
161.02403	0.2
161.04550	0.1
162.02769	0.2
163.02934	0.1
166.12320	0.1
183.14987	0.1
207.15016	3.1
208.13495	0.2
208.15416	0.2
224.15388	0.1
224.17683	4.3
225.16087	12.7
226.16396	0.8
242.18765	1.6
242.21089	0.1
243.19058	0.1
250.15755	0.2
266.19012	0.1
268.16663	0.4
284.03519	0.1
290.22607	0.4
291.21005	0.1
292.20566	0.1
306.22192	0.2
307.24146	0.3
309.21860	0.7
324.26584	1.8
324.30292	0.1
325.26956	0.1
333.23035	4.0
334.23752	0.4
336.11472	0.1
337.12292	0.2
339.27875	0.2
341.29489	0.1
347.10645	0.1
349.02451	0.1
349.11890	0.3
351.24103	1.3
352.24924	0.1
365.11801	0.2
367.27173	1.1
367.31271	0.1
368.27585	0.1
375.09848	1.0
376.10574	0.1
377.11578	0.3
385.28247	0.4
389.12140	0.1
390.58368	0.1
391.23303	0.1
393.11115	0.2
401.11523	0.1
403.09192	0.4
404.10147	0.3
406.30988	0.1
407.12839	0.2
417.11340	0.1
420.09827	0.1
421.10547	1.7
421.15747	0.1
422.11154	0.2
433.31937	6.4
434.32330	0.8
435.12140	0.3
436.12799	0.6
451.15802	4.7
451.32980	100.0
452.16031	0.6
452.33301	12.6
462.42264	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	451.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38716	0.3
59.01257	0.6
59.43403	0.4
66.23939	0.3
71.44188	0.6
78.95791	4.2
109.02833	0.5
112.41087	0.3
117.78297	0.4
121.02861	0.5
133.02893	1.2
135.04501	0.4
148.01624	2.7
149.02328	0.5
149.17416	0.3
150.03142	0.3
171.00607	0.8
175.03926	0.5
177.01862	0.5
189.01888	1.2
196.03796	0.6
201.01984	0.6
201.42764	0.4
213.01956	1.5
214.02635	0.5
215.03424	2.2
223.07492	0.4
224.04561	0.4
237.05670	0.5
239.07144	1.2
241.05025	0.7
249.05473	0.6
255.06697	0.7
255.23323	7.7
256.07657	0.4
265.05121	0.8
266.05835	1.0
267.06567	1.4
268.03781	0.4
277.05176	0.7
278.05923	1.5
279.06616	0.6
281.04672	0.9
282.05301	0.5
283.06219	1.5
293.04684	0.6
294.05399	0.7
295.06177	0.7
296.03342	1.1
298.04803	0.5
304.06177	0.4
305.04733	0.4
305.08200	0.4
310.04892	1.7
311.05676	11.4
312.06131	0.8
321.04169	0.8
321.11197	0.8
322.04913	8.5
322.08194	0.4
323.05670	32.8
324.05951	3.4
325.07077	3.7
326.07953	0.4
337.07260	18.2
338.07626	1.7
351.08743	1.3
352.13010	0.5
358.07013	1.1
364.09665	0.7
365.10355	3.7
366.11157	21.5
367.11432	2.2
369.33298	0.4
375.08765	1.6
379.12036	0.8
380.12677	1.6
381.13562	10.9
382.13824	1.5
393.09982	1.0
412.11652	4.5
413.12027	0.6
417.13531	0.5
418.14377	2.7
419.14740	0.5
433.16513	2.8
436.15268	5.0
451.17712	100.0
452.18066	14.7
452.27771	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1773
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
57.03307	0.8
57.61985	0.5
59.01263	12.0
61.98696	0.8
69.60877	4.4
71.04871	0.8
78.95799	4.7
91.81511	0.6
121.02855	0.8
133.02876	0.7
148.01480	1.2
149.02324	1.3
152.99434	1.3
166.47591	0.6
174.99084	1.1
201.01781	0.7
202.02580	1.6
213.01706	2.1
214.02510	1.2
215.03366	1.2
239.07088	1.3
241.05008	0.9
256.07233	1.8
257.08145	0.7
266.05692	0.6
268.03751	0.9
272.53830	0.7
275.20105	0.9
278.05811	1.0
283.05829	0.9
293.21152	1.3
296.03165	1.1
307.09412	0.8
310.04514	1.7
311.05374	1.9
321.11179	2.0
322.04889	3.4
323.02094	1.0
323.05637	16.6
324.05783	1.7
325.07095	0.8
337.06952	2.4
337.10580	1.4
350.07773	0.9
365.06314	0.8
365.10339	7.8
366.11096	12.3
367.11081	1.0
375.08463	0.7
381.08929	3.2
381.13913	5.4
391.17926	1.5
393.09900	11.4
394.09952	1.5
412.11316	2.2
418.14053	1.3
436.15320	19.6
437.15063	2.5
451.17490	100.0
452.17831	13.4
452.26923	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	451.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
57.20733	0.1
58.02856	0.3
59.00999	0.2
59.01267	2.7
61.98714	3.2
66.43508	0.1
66.45261	0.1
69.20873	1.3
69.21296	0.4
71.01274	0.9
72.99184	0.2
73.02847	0.3
74.43689	0.2
75.00739	0.4
80.04967	0.3
81.03347	7.4
82.03677	0.2
83.01288	0.5
83.04916	22.1
85.02849	0.4
87.00780	0.2
87.36648	0.1
89.02355	0.4
98.19855	0.3
99.00765	0.2
99.04405	0.2
100.07602	0.3
101.02338	0.5
107.06063	0.7
108.02071	0.3
108.04462	0.8
109.02872	0.6
113.02355	0.5
121.02901	0.3
125.02374	2.8
125.07124	2.5
126.02698	1.0
126.05501	0.4
127.02849	0.5
135.04463	0.2
136.93747	0.2
137.02382	0.4
143.08199	1.5
149.02414	0.2
152.01094	0.4
153.01894	0.5
161.02409	1.3
161.04524	0.3
162.02710	1.0
163.02901	0.5
179.07077	0.2
195.06670	0.3
207.15013	2.9
214.35902	0.2
224.17679	4.0
225.16093	11.1
226.16472	0.4
242.18779	1.4
250.15666	0.2
261.04547	0.2
268.16788	0.3
278.04550	0.2
287.15237	0.2
288.15466	0.4
289.15625	0.5
290.22156	0.2
307.24100	0.3
309.21906	0.4
321.12582	0.5
323.04443	0.4
323.10666	0.2
324.26614	1.7
333.23019	4.0
333.26923	0.3
336.11230	0.6
337.12100	1.0
339.27884	0.3
347.10443	0.3
349.02271	0.3
349.12009	2.5
351.24179	1.2
362.12933	0.2
365.11288	1.4
367.27188	1.1
375.09921	6.7
376.10394	0.8
377.11526	2.4
385.28400	0.5
389.11295	0.3
390.11563	0.2
391.23413	0.3
392.09961	0.2
393.11179	0.9
395.02802	0.3
401.11685	0.7
403.09366	3.7
404.10114	2.6
405.10828	0.4
407.12524	1.4
408.13211	0.3
417.11288	0.5
420.09735	1.2
421.10495	14.5
422.10831	2.1
433.31915	6.0
434.32285	0.2
435.12045	1.9
436.12827	4.5
437.13446	0.5
451.15350	32.1
451.32986	100.0
452.15634	4.3
452.33289	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	451.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49776	0.7
52.85067	0.5
58.71512	0.7
59.01262	3.3
61.98728	0.6
62.96283	1.2
68.99744	0.6
71.01250	0.6
74.73235	0.6
74.80857	0.5
78.30361	0.5
78.95782	2.7
79.63045	0.6
80.96221	0.7
80.97363	1.6
85.02879	0.8
87.21565	0.7
91.68929	0.6
93.03364	1.3
100.44473	0.6
107.04908	1.5
109.02856	2.8
111.00772	0.6
121.02886	3.5
123.04443	1.4
133.02884	6.8
135.04402	1.5
139.03928	0.8
145.02817	0.7
148.01587	4.5
148.99982	0.7
149.02362	4.0
150.03110	2.0
151.03856	1.1
161.05952	0.7
169.06470	0.7
173.06062	0.7
175.03886	1.3
177.01871	1.1
178.44255	0.6
181.06468	0.8
183.04443	0.8
185.06053	1.0
197.06013	1.6
197.81343	0.7
199.04016	0.8
199.07573	0.7
201.01933	0.9
209.06053	0.6
211.07611	1.4
213.05519	1.7
214.88391	0.6
215.07086	2.3
223.03989	0.7
225.05496	2.1
227.03490	1.0
227.07111	0.8
229.86064	0.7
237.05635	1.4
238.06274	1.0
239.07115	2.7
240.04591	0.6
240.07782	1.1
241.05072	3.5
241.08687	1.0
249.05530	0.8
253.05118	1.8
255.06659	2.2
255.10330	2.4
256.07349	1.9
265.05038	1.6
266.05692	0.8
267.06668	3.8
268.07413	1.1
269.04462	0.8
273.09271	1.2
275.07129	1.0
275.10596	0.7
277.05054	0.7
277.08606	0.8
281.04715	3.1
281.07483	0.6
282.05472	1.0
289.08765	1.1
291.06824	0.8
291.10254	0.9
292.18179	0.6
293.04599	0.8
294.05478	0.8
295.02432	0.7
301.08487	1.0
303.06799	0.7
303.10114	1.0
304.07547	0.8
305.08206	1.5
305.11911	0.7
309.04111	1.9
309.07382	0.7
310.04651	0.9
317.08051	1.4
318.09015	0.9
319.06323	1.0
319.09763	3.3
321.04193	0.9
321.07660	1.3
321.11142	1.0
323.05563	0.9
323.09021	0.9
329.08151	0.9
332.06866	1.0
333.07657	1.7
334.08414	1.1
335.05640	1.4
335.09290	3.1
336.09998	1.0
337.10782	1.2
345.07553	1.2
346.08395	1.5
347.05328	1.0
347.09283	11.4
348.09491	0.9
349.03412	0.7
349.07074	1.5
349.10822	5.4
350.07892	4.3
350.11627	0.8
351.08725	4.0
352.09555	0.8
357.07550	1.2
361.07016	1.2
362.07932	1.2
363.08810	1.2
364.09540	1.4
365.10364	5.6
375.08826	23.9
376.09036	2.7
377.10297	7.6
377.14352	0.5
378.10693	1.1
379.07877	2.8
380.08646	1.1
387.18335	1.0
390.07449	5.2
391.08041	0.8
391.15607	4.1
393.09744	23.1
394.10104	2.2
405.13455	2.6
407.14761	0.9
418.10577	12.5
419.10455	0.6
419.15381	4.8
421.12805	2.0
433.12970	19.8
434.13141	2.5
435.14688	0.8
436.15332	22.2
437.15405	1.2
451.13339	100.0
452.13721	10.8
468.44287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	10.7
60.01586	1.3
61.01685	1.1
61.98715	100.0
69.59522	5.1
71.01273	2.4
72.99216	0.9
73.02840	1.0
79.33499	0.7
87.00813	0.9
87.94614	0.7
88.14291	0.8
89.02355	2.5
99.00718	0.6
101.02358	2.1
102.02717	0.9
118.02651	0.8
119.72849	0.7
125.02364	1.8
142.38943	0.7
161.04610	0.8
245.55890	0.9
288.06119	1.3
354.36911	0.9
368.18295	0.8
387.16751	2.8
411.83908	1.0
450.11600	1.0
450.24152	0.8
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
57.99529	0.2
59.01263	9.7
60.01596	1.4
61.01686	1.3
61.98716	100.0
63.99157	0.3
69.03318	0.2
69.78214	1.1
71.01264	1.8
72.99213	0.2
73.02844	0.4
77.54027	0.2
83.01278	0.3
85.02856	0.5
89.02330	1.1
90.02660	0.3
98.19947	0.3
101.02331	1.0
109.02841	0.5
113.02345	0.5
119.03445	0.5
120.03719	0.2
125.02410	0.4
128.03473	0.3
133.36954	0.2
135.04451	0.4
139.03923	0.2
143.03473	0.2
152.01094	0.6
153.01910	0.6
161.04533	0.4
167.03448	0.4
170.08107	0.2
179.05638	0.2
192.99789	0.3
220.69974	0.2
253.05157	0.6
300.05481	0.2
329.05994	0.2
330.05902	1.1
360.07138	0.6
390.22040	0.9
424.89145	0.3
450.10242	1.3
450.24509	0.4
451.09256	0.7
451.29813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.5
59.01266	13.6
61.98709	7.6
63.02276	1.7
65.00207	10.5
66.00546	2.3
69.85793	3.9
71.01274	3.6
72.99182	0.9
73.02836	1.9
75.00745	0.9
82.05995	0.6
83.01287	4.9
84.01616	1.3
85.02857	1.1
85.67397	0.5
89.02339	2.3
89.15278	0.6
93.03339	0.6
96.00790	0.7
97.01595	1.4
101.02355	2.6
107.01293	16.2
108.01588	5.8
109.02885	1.8
110.03197	0.6
113.02351	1.7
119.03437	1.3
119.04916	0.6
123.99173	0.6
124.07605	4.6
125.02358	8.4
125.07936	2.2
126.02706	1.8
134.03694	0.8
135.04451	64.8
136.04782	35.7
137.02379	1.1
137.04976	1.2
148.92075	0.6
151.00308	100.0
152.00650	49.4
152.99631	0.9
153.00755	3.1
153.01826	1.5
153.34410	0.6
161.02371	1.5
161.04474	0.8
162.02782	0.8
163.00311	2.2
165.01846	0.7
169.01363	2.6
170.01669	1.2
177.01871	0.9
243.15067	0.8
257.22083	0.6
259.05731	1.0
287.05679	29.6
287.14111	5.8
288.06021	70.0
288.14429	9.4
289.06250	4.4
298.10071	1.5
302.15897	0.8
304.20126	0.6
330.15482	0.8
330.80267	0.6
335.84875	0.6
449.27582	2.2
450.11285	40.0
450.27844	2.5
451.11417	4.9
451.21872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2771
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01759	1.2
56.43518	0.3
57.03329	1.2
58.00473	0.5
59.01268	15.5
61.98424	0.4
61.98719	4.4
69.03341	0.4
70.85384	0.9
71.01271	10.6
72.99180	1.1
73.02827	2.4
75.00787	0.4
83.01274	2.6
84.02060	0.3
85.02842	5.1
86.03849	0.3
87.00768	1.7
89.02333	2.1
95.01281	1.2
96.22954	0.4
97.01611	0.4
97.02854	0.5
99.00750	1.7
99.08080	0.4
101.02357	6.9
111.00782	1.1
112.01573	0.4
113.02356	2.8
119.03396	0.7
124.07584	0.8
125.02365	1.3
129.01871	0.4
136.39694	0.3
141.12794	0.5
161.02603	0.3
161.04491	0.5
182.24974	0.4
238.33870	0.3
241.21715	0.5
243.15268	0.6
255.23325	0.4
269.21307	1.1
277.42130	0.3
285.20871	0.7
287.09296	0.4
287.14072	4.1
287.22360	23.3
288.22696	2.4
329.14859	0.4
363.12485	0.4
419.16232	0.3
431.26596	4.9
432.27191	0.6
449.27673	100.0
450.28049	13.1
468.52118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.1
58.00477	1.4
59.01265	100.0
60.01598	1.0
61.98722	1.7
65.00218	0.6
69.67171	2.9
71.01268	26.3
72.01617	0.5
72.99199	2.8
73.02844	2.1
75.00775	0.8
81.03377	0.5
83.01302	1.3
83.04932	0.5
85.02841	4.8
87.00790	1.7
87.04453	0.4
89.02337	39.6
93.03364	0.8
95.01306	1.4
99.00787	0.5
101.02344	14.2
107.01300	0.5
108.02062	0.5
109.02834	0.4
111.08078	0.8
113.02354	11.8
119.03417	16.7
121.02853	0.6
125.02353	6.2
125.03114	0.5
125.09689	0.6
127.03989	0.5
131.03448	1.8
133.02946	0.5
134.03665	0.6
135.04478	1.6
137.02406	0.6
143.03445	3.6
149.02464	0.5
149.04524	1.6
151.00328	1.6
152.01103	0.7
153.01965	0.6
153.09149	4.9
161.02432	1.2
161.04518	6.0
167.03479	0.4
177.01965	0.5
179.05566	15.1
180.06006	0.8
209.15427	5.2
210.15900	0.6
227.16702	0.8
231.10477	0.7
243.61220	0.4
275.09302	1.0
287.05615	2.4
290.65732	0.5
301.12360	0.5
303.21887	0.8
389.21909	37.0
390.22247	4.7
419.07217	0.4
449.11478	1.9
449.27338	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	449.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
55.99743	0.5
57.03345	1.6
58.00480	1.0
59.01265	100.0
60.01605	1.4
61.98715	1.6
63.19120	0.5
69.03368	0.5
69.37382	4.2
71.01271	16.6
72.99199	2.3
73.02842	2.0
75.00758	0.6
75.08061	0.4
77.10218	0.5
78.95815	0.6
83.01302	1.5
85.02847	3.2
87.00783	2.1
89.02339	24.5
93.03368	1.9
95.01318	0.8
99.00814	1.4
101.02348	11.1
101.03004	0.7
101.78365	0.5
107.01264	0.5
109.02943	0.8
111.08073	0.8
113.02362	8.3
119.03423	12.1
123.04483	0.6
125.02378	5.2
131.03436	1.9
134.03642	0.5
135.04462	1.8
137.02367	2.2
143.03412	3.3
149.04501	1.1
151.00307	1.6
151.11295	1.1
153.09174	2.9
155.10683	0.6
161.02444	1.3
161.04503	5.9
167.03503	1.2
169.12291	5.2
175.02492	0.5
179.05569	12.7
185.09666	0.7
195.04469	0.9
199.13469	0.8
209.04388	0.5
209.15483	3.0
211.07669	4.1
213.11421	1.7
227.16701	0.8
236.52557	0.6
245.17485	0.5
246.11414	0.6
269.04797	0.7
275.67270	0.5
287.05798	2.3
287.09048	0.9
287.22537	0.6
368.10092	0.7
389.21881	15.7
389.26624	1.0
390.22278	2.3
426.83911	0.6
449.11252	2.2
449.19846	7.0
449.27600	2.3
450.20154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.8
58.00468	0.3
59.01265	12.3
61.98722	2.4
66.62983	0.3
70.51067	1.2
71.01267	7.0
71.24269	0.3
72.99183	1.0
73.02840	1.1
73.50781	0.3
77.31917	0.3
83.01278	1.0
85.02849	3.5
87.00743	0.8
89.02336	3.5
93.03383	0.5
95.01293	1.1
95.03695	0.3
96.00817	1.8
96.08076	1.6
96.95882	0.4
97.01588	5.3
97.02861	0.5
98.02386	0.4
98.06013	1.4
99.04404	0.4
100.03932	0.5
100.98539	0.3
101.02351	3.7
106.06524	0.9
108.04467	1.0
109.01600	0.9
109.02837	0.5
109.05244	1.3
110.06038	1.2
113.02353	3.1
118.06521	2.3
119.03401	1.0
119.04916	0.4
120.08102	0.5
120.40791	0.3
121.02880	0.5
122.06042	0.6
123.04449	0.4
124.07600	28.4
125.02369	4.4
125.07934	0.9
126.05525	1.4
133.02890	0.3
134.06071	3.2
135.04440	1.2
136.03966	0.7
136.07579	0.7
138.05559	1.5
143.03394	0.4
148.07661	0.4
149.02356	0.4
149.05975	0.5
150.05489	1.2
151.00322	0.8
151.03917	0.4
151.06317	0.3
158.06061	0.4
161.02374	0.5
161.04518	1.4
162.05554	8.1
163.06348	3.7
166.05006	0.8
167.03392	0.5
173.04497	0.5
176.07147	0.7
177.77029	0.3
178.05058	7.5
178.08568	0.4
191.05576	1.4
192.06631	1.1
194.04549	1.7
200.14372	1.2
211.13397	0.8
213.14043	0.4
218.33421	0.3
221.06511	0.5
243.15054	6.5
244.15445	0.5
245.08228	1.5
283.14584	0.8
284.77954	0.4
287.06012	2.2
287.14078	100.0
288.14426	8.2
296.12076	0.4
301.15652	2.7
329.15112	15.8
330.15344	1.4
389.21741	0.4
432.31436	0.4
449.13873	0.7
449.18866	3.1
449.28210	0.8
450.19534	0.6
460.46841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1615
Annotation	Artonin T
Peak:m/z	Relative Intensity
50.62933	0.2
59.01257	1.6
63.21833	0.2
69.53384	1.4
78.95790	0.3
79.05424	0.8
82.27014	0.2
83.93434	0.2
96.95895	0.2
101.39658	0.2
103.05383	0.2
107.04948	1.2
108.02057	0.2
109.02846	0.7
109.06538	0.2
117.03367	0.5
119.01332	0.3
121.02885	0.8
123.04395	0.2
131.04939	0.3
132.02066	0.3
133.02852	1.5
135.04492	0.2
139.03908	0.3
145.02863	0.8
147.00826	0.5
147.04401	0.3
148.01591	2.8
149.02452	1.0
150.03191	1.1
151.00327	0.3
157.06503	0.4
159.04440	0.2
163.03967	0.4
169.06558	0.3
171.08069	0.3
172.05087	0.2
173.02383	0.2
173.05910	0.3
174.03058	0.2
175.03938	0.2
175.07497	0.2
177.01736	0.3
183.04437	0.4
185.06010	0.7
187.03999	0.4
187.07547	0.7
191.03468	0.2
199.04008	0.5
199.07547	0.3
200.04704	0.3
201.01971	0.2
201.05481	0.7
202.06348	0.4
209.06189	0.2
211.04012	0.4
211.07471	0.2
212.04700	0.4
213.05627	1.2
213.12852	0.4
214.02654	0.3
214.06311	0.2
215.03488	0.5
215.07040	0.3
221.09848	0.2
223.07530	0.2
225.05667	0.5
226.06422	0.3
227.03503	0.6
227.07164	0.5
228.04250	0.4
229.05095	2.1
230.05754	0.7
235.07539	0.3
237.05556	0.6
238.02831	0.2
238.06282	0.3
239.07149	0.4
239.10701	0.2
240.04330	0.2
241.05054	0.9
244.07335	0.4
247.07611	0.4
249.09213	0.4
253.05135	0.4
254.05856	0.5
254.09146	0.2
255.02808	0.3
255.06648	2.4
256.07407	0.8
257.04529	0.4
257.11902	1.6
258.05252	0.4
260.08478	0.2
261.09171	0.4
263.10724	0.5
265.08682	0.3
266.05621	0.2
271.06277	0.3
272.06921	0.5
273.09201	0.3
274.10043	0.3
275.07178	0.7
275.10846	0.5
276.07947	0.5
277.08722	0.6
278.05884	0.2
279.06445	0.5
279.10254	0.5
281.04663	0.3
282.08896	0.2
288.07794	0.2
289.08817	0.8
291.06961	0.4
291.10327	1.9
292.07593	0.3
292.10941	0.6
293.04620	0.8
293.08276	0.6
294.05237	0.4
295.06058	0.3
297.11194	0.2
303.06601	0.5
303.10287	0.5
304.07483	0.7
305.08231	0.9
305.11279	0.2
306.08688	0.2
307.06326	0.5
307.09830	1.9
317.08292	0.9
318.08981	0.7
319.06186	0.3
319.09711	2.9
320.07016	0.4
320.10477	1.0
321.04294	0.5
321.07776	0.8
322.04675	0.6
323.05588	1.5
331.06259	0.3
331.09821	0.3
333.07706	0.3
333.11285	0.4
334.05060	0.3
334.08624	0.5
335.09317	6.6
335.12338	0.3
336.09988	1.7
337.07159	0.9
345.07675	0.5
346.08728	1.0
347.09247	3.3
348.06372	0.5
348.10001	2.1
349.07346	1.4
349.10852	1.4
359.80414	0.2
361.07010	0.3
361.10971	0.6
362.03882	0.2
362.07977	1.2
363.08810	11.1
364.09540	16.9
365.09988	1.7
375.08939	0.3
377.10370	2.9
378.10907	1.2
379.07510	0.5
379.11978	6.8
380.12341	0.6
391.08020	0.5
406.14340	1.7
410.10226	1.8
415.11996	0.4
416.12735	2.4
417.13544	0.8
418.14246	1.4
419.15134	0.6
421.16873	0.4
431.15073	2.6
432.15244	0.3
433.13068	0.3
434.13794	7.3
435.14056	1.1
449.16129	100.0
450.16483	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	449.1615
Annotation	8-Prenyllisetin
Peak:m/z	Relative Intensity
51.43415	0.5
57.03339	3.0
59.01261	5.5
61.98716	1.1
63.02267	1.0
65.00208	9.6
68.99690	0.7
71.01262	0.8
71.52029	1.0
78.95362	0.8
78.95789	4.6
83.01254	0.6
93.03333	0.6
93.18055	0.6
95.01260	0.7
107.04951	0.6
109.06503	4.9
124.01582	7.6
125.02377	1.2
125.09651	3.9
131.08533	1.1
133.02817	0.9
133.06520	21.7
134.06799	0.6
135.04486	0.8
137.02411	1.0
141.56966	0.5
145.73648	0.5
146.03685	1.9
147.08063	0.8
149.02310	0.8
149.06033	1.5
149.09634	1.8
149.99515	1.2
150.03183	0.6
151.07600	5.5
152.99527	8.4
156.84373	0.6
159.04459	1.6
163.00266	1.1
172.05273	8.3
173.06096	3.2
174.03174	0.7
175.00357	1.1
175.07613	7.3
176.01102	4.2
177.01855	1.2
185.06073	3.6
186.06821	1.6
187.07591	2.4
191.07103	1.3
193.08678	28.9
194.09019	1.3
197.05997	0.7
199.04013	4.0
199.07628	1.4
200.04765	35.7
200.08307	3.3
201.05396	5.0
201.09169	7.6
203.07095	0.8
204.04295	1.9
210.06862	0.8
211.07658	2.2
211.13417	1.9
212.04723	1.5
212.13724	1.8
213.05539	2.6
213.13979	1.1
215.07176	2.0
217.05064	1.6
218.05716	1.2
219.06619	47.1
220.06940	3.5
226.06357	0.7
227.07074	2.8
228.07939	1.1
229.08708	72.6
230.09053	5.2
232.07323	1.5
237.07744	0.9
240.04214	1.0
253.05141	1.3
253.08789	1.7
254.09579	0.8
255.06714	7.9
268.07492	1.0
271.09958	0.7
291.10223	0.7
293.04865	0.8
293.08142	0.9
297.07767	0.9
307.06030	0.7
308.03415	0.8
309.04160	2.4
318.09039	1.1
321.04227	1.4
321.07721	0.7
323.05786	0.8
333.04379	0.8
349.11179	1.0
352.09409	0.9
363.16113	0.8
377.10370	13.3
378.10565	1.4
383.53098	0.7
387.16025	1.4
392.12869	1.5
393.78583	0.7
395.11542	0.6
405.13171	4.1
406.14008	1.5
419.11365	0.9
421.16916	1.0
431.15042	1.4
449.16180	100.0
449.32666	2.9
450.16568	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	449.1626
Annotation	Cajaisoflavone
Peak:m/z	Relative Intensity
59.01273	1.8
61.98714	0.6
62.96297	3.4
71.01286	0.2
78.95796	8.1
80.97365	4.3
93.03383	0.6
96.95918	0.2
98.19794	0.4
107.04988	0.3
109.02859	0.4
112.69585	0.2
119.01299	0.3
121.02887	0.8
122.03662	0.2
123.04446	0.2
123.94345	0.2
132.02104	0.4
133.02888	1.0
134.03670	0.2
135.04483	0.5
141.23532	0.2
145.02910	0.3
147.00800	0.3
148.01593	1.6
149.00038	2.3
149.02370	0.6
150.00383	0.2
150.03185	0.5
151.00391	0.2
152.99510	0.2
159.04449	0.2
163.03983	0.2
166.44498	0.2
173.05981	0.2
175.04051	0.2
179.01083	0.4
185.06200	0.2
187.04004	0.4
187.07613	0.2
199.07678	0.2
201.01849	0.3
205.16000	1.0
211.04089	0.4
213.01973	0.7
213.05594	0.2
214.02724	0.3
215.07112	0.3
223.07648	0.3
225.01952	0.5
225.05496	0.3
227.07156	0.3
229.05127	0.5
236.04893	0.3
237.05563	0.2
238.06468	0.2
239.03535	0.4
239.07167	0.4
241.05035	0.5
242.98354	0.7
243.06630	0.9
243.10431	0.2
249.05803	0.3
251.07274	0.3
253.04991	0.9
253.08873	0.2
254.05852	0.2
255.06740	0.5
255.10240	0.2
255.23425	0.2
256.07578	0.3
257.08215	0.2
261.05759	0.2
263.07330	0.2
263.10461	0.2
265.05008	0.3
266.05960	0.3
267.03152	0.6
267.06747	0.2
268.03650	0.4
269.04929	0.2
269.08295	0.9
275.07312	0.3
277.05331	0.3
278.05948	0.3
279.03174	0.3
279.06616	0.3
280.03937	0.2
281.04626	0.4
282.05594	0.2
283.06235	0.4
283.09723	0.3
288.04550	0.2
289.08984	0.4
290.05731	0.3
291.06839	0.2
291.10242	0.4
293.04785	0.9
293.07916	0.2
294.05252	0.4
295.02545	0.6
295.06061	0.4
295.09662	0.2
296.03394	0.2
297.11414	0.2
303.06656	0.2
303.10229	0.3
305.04968	0.2
305.08405	0.6
305.11752	0.3
306.05496	0.3
307.02615	0.3
307.06229	0.5
307.09903	0.7
308.03394	0.4
309.04214	0.2
309.07755	0.3
309.11304	0.4
310.04837	0.2
311.05789	0.5
317.08234	0.5
319.06046	0.4
319.09778	0.5
320.10574	0.3
321.04108	0.8
321.07693	0.4
321.11414	0.5
322.04938	0.6
323.05701	1.3
323.09232	0.3
333.04202	0.3
333.07794	0.3
333.11328	0.3
335.05704	0.4
335.09402	1.2
336.10059	0.4
337.07251	0.6
345.28656	0.2
347.09299	1.3
349.06909	0.3
349.10876	3.3
350.11411	0.4
351.08768	1.4
355.16806	1.8
359.09436	0.3
360.10001	0.2
361.07074	0.3
361.10983	2.4
361.14984	0.3
362.07806	0.4
362.11755	0.3
363.08771	4.7
364.09460	1.6
365.10422	0.5
366.11169	0.7
371.13062	0.3
373.07211	0.4
375.08780	1.1
376.09616	0.5
377.10358	12.2
378.10684	1.4
379.08157	1.4
385.17984	2.9
386.18518	0.3
389.14081	2.9
390.14838	1.2
391.07965	3.7
391.13010	0.9
392.08405	0.3
392.12851	0.3
396.08621	0.7
398.10236	0.5
401.14041	0.6
405.13599	1.1
406.14374	3.7
407.14697	0.4
416.08441	0.2
416.13223	0.2
417.13574	2.7
418.14310	4.7
419.15335	1.3
421.16779	0.8
431.15567	0.3
433.13049	0.4
434.13831	15.6
435.14032	2.2
449.16092	100.0
450.16495	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	449.1615
Annotation	Cajaisoflavone
Peak:m/z	Relative Intensity
50.59455	0.4
53.02974	0.5
59.01255	4.0
71.01291	0.4
71.52322	1.0
72.92932	0.5
78.95798	16.4
79.05411	0.7
93.03345	0.5
96.96874	1.9
106.64935	0.5
107.04910	0.7
117.03423	0.8
119.01328	0.8
132.02109	0.5
133.02907	1.4
145.02873	0.9
148.01659	2.8
149.02422	0.8
150.03154	0.5
152.99529	33.3
153.99910	1.1
157.06563	0.7
171.00609	0.8
175.07571	0.5
179.05574	0.6
186.06995	0.6
187.03963	0.7
199.04012	0.5
201.05556	1.3
202.06349	0.7
203.07100	0.8
209.06177	0.6
215.07155	1.4
227.07089	0.8
229.05057	2.9
230.05832	0.7
237.05592	0.9
241.05045	1.2
255.06618	4.4
256.07446	1.2
257.11929	0.8
263.10922	0.8
265.08850	0.5
273.09375	0.7
275.07281	0.7
275.10776	0.5
276.08026	0.8
277.08704	0.9
279.10486	0.6
289.08560	1.4
291.07043	0.5
291.10339	2.2
292.10965	0.7
293.04636	1.0
303.06677	0.6
303.10236	1.0
304.07422	0.8
305.08441	0.6
307.06677	0.8
307.09796	3.8
308.10522	0.7
317.08279	1.2
318.05475	0.6
318.09027	0.9
319.09793	3.9
320.10458	1.1
321.04114	0.9
321.07706	1.5
323.05820	0.9
335.09329	10.0
336.09985	3.2
346.08435	0.8
347.09348	6.7
348.10098	4.9
349.07092	1.2
349.10806	1.3
362.07837	1.1
363.08850	11.8
364.09570	10.7
365.09946	1.0
368.26593	0.5
377.10260	1.1
378.11057	0.8
379.11990	3.7
405.13507	1.0
406.14124	2.8
410.10040	0.7
418.14325	2.4
419.15082	0.9
431.15259	0.6
434.13809	10.7
435.13940	1.7
449.16183	100.0
450.16498	12.4
450.22717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44957	0.5
57.03342	2.9
59.01264	26.5
60.01595	0.5
61.98719	2.5
63.02285	1.3
65.00208	7.0
69.03352	0.7
69.31818	1.5
69.32232	3.0
71.01266	4.8
72.99216	1.3
73.02841	2.4
75.00784	1.0
81.03366	0.6
83.01265	6.5
85.02850	2.1
86.13912	0.5
87.00797	1.2
87.04429	0.6
89.02345	3.2
91.03915	0.6
93.03357	1.1
95.01272	0.7
96.95899	0.5
97.02818	0.5
97.06477	0.6
99.00765	1.0
101.02336	3.1
107.01296	15.6
108.02178	0.5
109.02868	4.8
110.00018	0.5
110.20096	0.5
113.02370	2.0
119.03439	1.0
119.04951	1.3
121.02853	2.4
121.84798	0.5
123.00789	1.0
123.04453	0.7
124.01582	1.6
125.02366	16.9
126.02673	0.6
133.02901	3.8
134.03703	1.2
135.04445	70.9
136.01573	3.1
136.04776	3.6
137.02394	2.7
138.03177	3.9
139.00282	0.6
139.03941	0.8
147.04451	0.6
149.02359	0.9
150.03148	3.0
151.00307	100.0
152.00652	3.1
153.01868	1.6
160.03979	8.2
161.02397	14.2
161.04411	2.4
162.03023	0.4
163.03952	1.7
165.01874	3.1
165.05527	1.9
166.99783	0.7
169.01358	1.8
175.00342	0.6
175.03984	0.4
177.01945	0.8
177.05363	0.5
179.03450	3.2
179.05536	0.9
199.13487	0.5
225.05492	0.6
255.06854	0.8
269.04578	1.7
271.06006	0.9
272.06946	6.4
273.07202	0.6
285.04120	0.6
286.04501	0.8
287.05661	87.8
287.09244	19.6
288.06012	7.6
288.09671	1.6
323.07825	2.6
389.21817	2.1
389.26175	0.7
405.28979	0.6
448.26688	0.6
449.10904	26.9
449.27661	8.6
450.10760	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	449.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64323	0.2
54.03512	0.2
57.03339	0.4
59.01268	4.1
61.98713	0.4
63.02287	1.2
65.00212	7.8
66.00546	0.2
71.01275	0.8
73.02816	0.2
83.01268	3.7
85.02837	0.4
89.02343	0.6
101.02354	0.5
107.01297	16.1
108.01575	0.3
108.02180	0.3
108.99213	0.3
109.02850	1.3
113.02355	0.5
119.03420	0.3
124.07632	0.4
125.02374	4.3
134.03685	0.9
135.04446	68.4
136.01607	0.6
136.04778	2.7
137.02333	0.3
151.00310	100.0
152.00627	3.4
159.04475	0.2
161.02361	1.3
161.04573	0.4
164.01187	1.0
165.01927	0.5
169.01340	1.6
174.03230	0.2
176.20551	0.2
177.01933	0.6
196.00125	0.4
201.01973	0.4
269.04788	0.3
285.04144	0.2
286.05078	0.3
287.05673	64.8
288.06024	5.4
297.09833	1.0
351.38217	0.2
389.21924	0.4
449.10980	25.6
449.26926	1.1
450.11346	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05358	0.3
56.25752	0.3
57.03340	5.2
59.01265	18.2
60.01588	0.8
61.01701	0.3
61.09893	0.4
61.98720	2.2
63.02272	0.7
65.00212	7.4
69.03343	0.3
71.01272	3.5
71.04912	0.4
72.65063	0.4
73.02843	1.4
75.00786	0.7
81.03340	0.5
82.84972	0.4
83.01271	6.0
83.01722	0.5
83.04947	0.3
83.16174	0.3
85.02857	1.8
85.06456	0.4
87.00757	0.4
89.02364	2.1
93.03367	0.5
95.01290	0.8
97.02859	0.5
98.19632	0.6
99.00771	0.8
99.04418	2.8
101.02348	3.3
103.48096	0.4
107.01296	15.3
107.04977	0.4
109.02850	3.0
110.86988	0.3
111.00826	0.4
113.02354	1.8
119.03419	0.9
122.06048	0.4
125.02367	19.5
126.02678	0.5
126.20507	0.3
131.01291	1.8
133.02869	1.2
134.03662	1.4
135.04448	68.1
136.04776	2.5
137.02365	1.2
139.03928	0.6
143.03534	0.4
149.02382	1.6
150.03052	0.4
151.00310	88.9
152.00615	3.2
160.04022	0.4
161.02399	10.5
161.04512	1.5
162.94968	0.4
164.01129	0.4
165.01910	1.4
166.05069	0.5
167.03514	0.6
169.01361	2.1
171.06621	0.3
175.00320	5.2
177.01924	1.0
178.99834	0.7
179.05676	0.4
193.01425	1.4
197.04552	0.5
205.01460	0.6
205.62875	0.4
209.11792	0.4
227.12880	2.0
255.23431	0.4
269.04544	2.7
269.14148	0.5
270.05096	0.5
274.14026	0.4
284.03217	0.7
285.03986	2.4
286.04120	1.7
287.05679	100.0
287.14865	4.8
288.05997	7.6
288.15182	0.4
305.16180	1.2
311.05606	0.6
313.05722	0.7
315.13492	0.5
329.06726	0.8
359.08017	0.5
359.12494	0.8
378.38922	0.3
389.21808	1.5
415.19336	0.4
449.10632	12.1
449.20590	1.7
449.27832	4.1
450.10806	1.4
450.27737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	6.2
59.01264	43.9
60.01597	1.4
61.98724	11.4
65.00212	2.9
69.77124	9.3
71.01279	12.0
72.99191	2.5
75.00748	2.0
78.48437	1.4
81.03328	4.6
83.01273	8.1
85.02836	3.1
87.00790	1.9
89.02342	8.9
91.01793	11.5
93.03343	3.7
95.01297	2.0
95.04933	1.4
99.00792	1.8
99.04382	2.2
101.02332	7.5
107.01300	5.4
108.02085	2.6
109.02866	10.3
112.51990	1.3
113.02356	7.6
119.03413	1.9
121.02872	2.1
123.00776	6.3
123.04416	12.1
124.01534	2.5
125.02370	45.2
133.02904	9.1
135.00818	17.7
135.02905	1.7
137.02374	5.9
138.05544	4.3
139.03893	1.9
139.05904	3.8
143.03439	2.4
146.42131	1.4
149.02423	9.3
150.03149	7.9
151.00334	16.1
151.03935	16.9
152.01051	4.9
153.01883	33.2
157.06378	1.5
161.02380	1.6
161.04506	4.0
163.00323	27.1
164.00728	2.1
165.01859	2.9
167.03392	3.8
169.01410	1.9
172.05223	3.3
173.06027	9.1
175.00330	2.6
175.03925	2.2
177.01891	1.9
177.05536	3.6
178.99815	15.6
179.05606	2.6
181.01320	1.5
182.76202	1.6
197.06006	3.0
199.04045	2.3
199.07661	1.5
201.05539	4.7
215.07143	13.2
225.05566	4.6
227.03474	3.1
241.05069	4.7
243.06688	7.5
257.04639	2.3
259.06152	100.0
260.06573	8.6
269.04581	56.5
270.04971	3.5
273.07736	1.9
283.06113	17.7
284.06512	1.8
286.04733	2.5
287.05676	83.4
288.05905	4.8
301.07205	7.8
313.06851	1.9
329.06601	3.4
387.16852	1.8
389.21976	8.8
419.41086	1.7
421.11475	14.1
449.10968	28.3
449.16788	1.7
449.24411	1.6
450.11124	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	18.2
58.03666	0.3
59.01263	6.0
59.68440	0.1
60.01600	0.3
61.01688	0.2
61.98707	0.9
69.31848	1.2
71.01266	1.0
73.02830	0.3
75.00793	0.2
81.03345	2.2
82.03661	0.2
83.01273	6.6
84.01582	0.1
84.71949	0.1
84.75203	0.1
85.02843	0.4
87.00793	0.2
87.58620	0.1
89.02332	1.0
91.03899	0.2
93.03362	0.1
98.19658	0.1
98.73226	0.1
101.02361	0.6
105.14020	0.1
109.02849	0.4
113.02367	0.5
119.03397	0.3
124.01597	0.3
125.02363	100.0
126.02701	3.0
133.02893	0.6
135.04419	1.0
137.02397	0.3
139.03955	0.3
145.73442	0.1
147.04407	0.2
148.01584	0.4
150.03113	0.2
151.03912	0.2
155.10753	0.2
159.04456	0.4
161.02385	7.3
161.04549	0.4
162.03171	2.0
165.02003	0.2
165.05475	0.4
176.45860	0.1
177.01987	0.3
177.05583	0.7
179.05591	0.3
185.11806	0.2
201.05542	0.5
209.11819	0.1
211.07634	0.1
255.06657	0.4
271.02472	0.3
285.04059	0.2
286.04413	0.2
287.05484	1.1
287.09280	1.8
287.14233	0.1
288.06177	0.2
288.09583	0.2
303.21802	0.1
317.16055	0.2
389.21716	0.5
390.13855	0.1
449.10965	29.4
449.27481	1.2
450.11258	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	449.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	10.5
59.01258	1.0
62.21581	0.2
65.00224	0.3
67.01781	0.3
69.43966	1.0
69.44389	0.9
71.01273	0.4
76.59087	0.2
81.03354	2.0
83.01279	7.1
89.02382	0.3
93.03378	0.4
95.01263	0.3
95.04932	0.4
97.02847	0.8
98.76012	0.2
101.02329	0.3
105.62236	0.2
108.02067	0.4
109.02865	3.1
121.02864	1.2
123.00778	0.3
123.04453	0.4
124.01591	0.5
125.02368	100.0
126.02717	2.3
133.02882	3.5
135.04459	0.4
136.01689	0.4
137.02342	0.8
139.03955	2.4
149.02382	2.2
149.43900	0.2
150.72559	0.2
151.00282	0.4
152.01100	0.3
157.06761	0.2
161.02394	25.7
162.02707	1.2
163.00252	0.3
163.03922	0.4
164.01144	0.3
164.60315	0.2
165.01886	2.7
167.03442	2.6
177.01880	2.0
177.05437	0.4
179.03343	0.2
191.03517	0.4
201.05498	0.4
269.04517	0.4
269.08240	0.4
285.04050	1.2
286.04688	0.4
287.05676	43.2
288.05991	3.6
299.05710	0.8
300.06201	0.3
301.07150	0.5
311.05673	1.9
329.06735	6.9
330.06946	0.7
336.83505	0.2
341.06818	0.2
341.78485	0.2
449.10980	9.6
450.11301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	5.1
59.01268	4.9
61.98715	57.3
62.98433	1.0
62.99156	0.5
65.00223	1.3
68.99733	0.7
69.03352	0.6
69.81491	0.4
71.01278	1.8
71.04906	1.0
71.31368	0.8
81.03345	13.9
82.03681	0.5
83.01279	4.1
84.02080	0.4
85.02843	0.7
86.76483	0.3
89.02343	1.1
93.03352	1.9
95.01279	0.6
95.04916	7.0
97.02858	4.6
99.04412	12.7
101.02340	1.2
105.03358	0.8
107.01316	1.3
107.04926	0.7
109.02854	0.9
111.01983	0.4
111.04431	1.5
113.02360	1.0
117.03372	11.1
118.03710	0.7
118.35644	0.4
119.03435	0.7
121.02869	1.0
123.00803	0.6
123.04441	6.9
125.02365	46.8
126.02705	1.7
133.02921	0.5
135.04472	1.1
137.02361	4.7
139.03943	4.4
149.02371	2.4
151.00298	4.3
151.03966	1.4
152.01042	0.7
153.01849	1.1
153.09212	0.4
161.02376	2.4
163.00420	0.5
163.03937	0.6
164.01112	0.5
165.01834	1.2
167.03447	100.0
168.03818	4.2
173.06044	0.9
176.01199	0.5
178.99789	2.4
179.03438	3.4
193.01434	1.7
197.04529	20.9
198.04932	1.1
201.05540	0.7
203.03351	0.4
207.03008	0.5
209.02812	0.5
209.04485	2.2
215.07133	1.0
225.05629	0.9
235.02435	4.4
235.04347	0.4
243.06627	1.1
259.06180	13.1
260.06476	1.2
265.03378	0.9
269.04507	12.3
270.05017	1.0
283.06201	0.6
287.05612	8.1
287.07935	5.2
288.05774	0.5
329.06735	19.9
330.07135	2.2
359.07739	3.7
366.06238	0.4
431.10028	0.8
449.10950	17.8
450.11316	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	448.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.9
61.98717	100.0
62.96292	2.4
70.08665	1.9
71.01283	0.9
78.95794	6.7
80.97372	2.6
87.00783	0.6
89.02368	0.6
102.42173	0.5
109.02859	0.5
125.02361	0.7
137.29842	0.5
149.00099	1.3
161.02411	0.6
161.04570	0.5
166.62411	0.5
188.15970	0.5
201.05511	0.9
211.30650	0.4
214.05995	0.6
242.98451	0.6
245.51181	0.5
250.41829	0.5
290.06836	0.5
355.16803	2.4
385.18027	2.2
395.45862	0.5
405.13522	0.6
448.14908	7.0
449.15271	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	448.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	7.1
60.01600	0.6
61.98717	100.0
71.01241	1.0
71.51694	0.7
76.09879	0.5
77.65479	0.4
78.95788	1.1
80.95505	0.4
92.73568	0.5
96.95964	0.6
127.46220	0.5
129.34152	0.5
152.99557	1.2
161.04657	0.5
204.17465	0.5
323.05704	0.7
384.02063	0.5
391.12207	0.6
405.13614	0.8
442.26697	0.5
448.32062	1.3
449.00449	0.5
449.12589	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	448.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78992	0.2
57.03346	0.5
58.00497	0.3
59.01265	22.8
60.01606	1.8
61.01687	0.6
61.98716	100.0
70.70458	0.5
70.70853	0.7
71.01271	4.3
72.01620	0.7
72.99203	0.3
73.02833	1.0
75.00767	0.5
83.01276	0.6
85.02853	0.9
85.42915	0.3
87.00802	0.5
89.02332	3.5
89.02761	0.3
90.02689	0.5
91.01785	0.5
91.02760	0.4
93.03391	0.3
99.00776	0.4
101.02349	2.3
102.02694	0.4
109.02888	0.8
113.02316	1.6
114.02693	0.3
119.03435	0.9
125.02411	0.5
135.00821	0.7
143.03433	0.4
149.02367	0.4
150.03177	0.3
151.00299	0.3
151.04021	0.5
153.01871	0.8
161.04544	1.2
162.04872	0.5
163.00342	1.0
179.05576	1.4
180.06027	0.3
181.06232	0.4
259.06235	0.5
263.90222	0.3
267.07254	0.4
268.03787	0.4
269.04556	1.5
287.05612	1.3
387.20358	0.3
388.20697	1.6
401.14761	0.4
402.15134	0.9
406.22067	0.3
448.09940	0.5
449.11044	1.1
449.20627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24533	0.1
57.03333	0.1
59.01263	4.9
59.05678	0.1
60.01598	0.2
61.98711	0.4
69.03346	0.2
71.01269	2.5
72.17481	0.1
72.99194	0.4
73.02837	1.1
74.58091	0.1
75.00753	0.1
81.03374	0.2
83.01276	0.3
85.02863	0.8
87.00758	0.3
89.02341	2.1
95.01292	0.2
97.02868	0.3
99.04412	0.2
100.94969	0.1
101.02341	2.9
103.03918	1.9
109.02898	0.2
113.02370	0.3
115.03899	0.1
119.03415	1.2
125.02364	2.7
127.03930	0.2
131.03419	0.1
135.04472	0.2
136.47234	0.1
140.07103	100.0
141.01906	0.1
141.07451	3.6
143.03459	0.3
145.05005	0.4
161.02425	0.1
161.04565	0.2
163.04736	0.1
163.06067	1.8
166.05067	0.1
182.08253	0.2
183.63536	0.1
187.40404	0.1
205.07147	0.4
247.08339	0.6
269.04630	0.9
287.05670	0.1
302.12534	0.2
307.10403	1.7
389.21545	0.1
444.43359	0.1
448.12387	0.1
448.17978	0.4
449.11301	0.1
464.33429	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	447.3491
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
56.43756	0.3
59.01262	7.4
59.91995	0.3
67.81868	0.3
71.24312	0.7
82.01575	0.3
89.02367	0.5
99.19591	0.3
101.02339	0.5
121.06512	9.4
135.04485	0.8
136.05232	3.4
137.06035	2.3
149.06020	100.0
150.06361	4.2
159.04451	0.4
162.06764	2.1
165.05516	2.5
175.07591	2.9
176.08275	0.4
225.00821	0.5
225.14983	0.3
279.23337	0.6
301.12057	0.3
364.17847	0.4
387.20535	1.0
415.32840	0.5
432.32550	11.5
433.32571	1.8
447.34906	73.4
448.35260	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	448.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13403	0.2
52.62729	0.2
57.03340	0.9
59.01265	12.2
60.01597	1.1
60.95865	0.2
61.01676	0.2
61.63289	0.2
61.98718	100.0
65.00205	0.3
69.03345	0.2
69.41054	1.4
71.01270	2.4
72.01603	0.4
72.99214	0.2
73.02833	0.3
81.03348	0.4
83.01286	0.9
85.02856	0.6
89.02332	2.3
90.02667	0.2
93.03369	0.3
95.01270	0.3
97.02873	0.3
99.00761	0.3
99.04440	0.5
101.02359	1.6
107.01273	0.4
109.02849	0.2
113.02367	1.1
114.02682	0.5
117.03402	0.7
119.03432	0.8
123.04461	0.4
124.01579	0.2
125.02370	8.5
135.04501	0.2
137.02400	0.4
139.03964	0.4
149.02316	0.8
151.00310	1.9
152.01100	0.5
153.01883	0.6
153.09161	0.6
154.09506	0.3
161.04547	0.6
162.04875	0.4
165.01921	0.6
167.03458	5.0
169.89796	0.2
176.01112	0.2
177.05576	0.2
178.99892	1.3
179.03578	0.4
179.05600	0.4
195.53334	0.2
197.04533	1.0
197.06091	0.2
201.05507	0.4
215.07159	0.5
224.13715	0.2
225.05765	0.2
235.02544	0.3
241.05200	0.3
243.06589	0.4
245.63326	0.2
259.06149	6.8
268.03955	0.2
269.04584	6.3
287.05624	4.4
298.01288	0.2
329.06720	1.1
359.08008	0.3
387.20413	0.7
388.20627	4.8
389.21289	0.5
421.12201	0.3
431.09848	0.4
449.10989	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	447.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	8.7
61.98703	0.3
63.12421	0.2
70.78541	0.7
71.01237	1.1
73.64547	0.2
76.29376	0.2
77.62912	0.2
78.95383	0.4
78.95795	5.5
89.02312	0.6
90.64486	0.2
94.14713	0.2
101.02315	0.4
106.85939	0.3
110.97746	0.3
110.98439	4.5
113.02339	0.4
149.06039	2.7
152.99530	1.8
161.04433	0.4
162.32100	0.3
167.01093	2.4
185.02196	3.0
225.14873	0.3
261.22253	0.5
279.23343	100.0
280.23691	8.9
327.05359	0.4
387.20279	0.9
432.32690	0.3
447.09378	0.9
447.25311	9.6
447.34808	2.0
448.25763	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97070	0.3
59.01268	9.7
61.33028	0.3
70.18635	0.3
71.01274	0.8
71.55041	0.4
75.08930	0.3
78.95802	1.7
83.71164	0.4
87.51682	0.3
89.02344	0.6
101.02388	0.3
110.98432	0.8
113.02357	0.5
113.06939	0.3
119.03359	0.4
121.06516	9.7
122.06806	0.4
129.64424	0.3
135.04451	0.8
136.05225	2.7
149.06020	100.0
150.06355	4.4
159.04410	0.6
160.05249	0.4
161.04520	0.6
162.06813	3.5
162.89346	0.4
163.07520	0.7
174.06841	0.4
175.07603	4.1
176.08377	0.4
176.46461	0.3
178.42639	0.3
185.02156	0.7
211.13388	1.1
221.90100	0.3
279.23352	26.6
280.23715	2.6
280.46411	0.3
322.95764	0.3
327.05032	0.5
387.20340	1.3
417.33771	0.4
432.32526	13.7
433.32880	2.3
447.25021	2.2
447.34900	59.5
448.35287	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	447.2246
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01767	3.7
56.99713	0.4
57.03335	4.0
58.00480	3.1
59.01263	100.0
60.01596	1.0
61.98720	1.3
63.38210	0.3
68.99733	0.5
69.03331	2.2
71.01270	79.6
71.56582	0.6
72.01601	1.1
72.99201	4.8
73.02835	18.5
74.87160	0.3
75.00774	1.5
81.03347	1.2
83.01278	9.3
84.02063	0.4
85.02842	27.2
85.99989	0.6
87.00774	6.6
89.02337	45.3
90.02670	0.5
95.01292	3.6
95.32686	0.3
97.02847	3.2
99.00780	10.2
101.02346	47.6
102.02685	1.1
108.02098	0.7
108.36050	0.3
109.02847	0.6
111.00784	4.4
113.02353	22.2
114.02681	0.6
115.03930	1.2
119.03417	4.1
121.02880	0.6
123.04423	0.3
125.02373	7.2
127.03938	0.7
129.01852	0.9
131.03421	24.3
132.03751	0.6
133.02884	0.7
135.04434	0.5
137.02345	0.7
139.03947	0.6
141.01898	0.5
143.03438	4.0
149.02516	0.7
149.04497	15.9
150.04851	0.5
151.00317	0.5
152.01141	0.5
159.02933	3.2
161.04497	28.8
162.04823	0.7
163.03864	0.4
167.03415	0.4
173.04631	0.4
173.06087	0.4
179.05548	0.7
183.13873	2.3
191.05573	5.6
193.12347	0.5
205.03484	1.8
205.64088	0.3
211.13383	35.0
212.13782	1.7
215.05623	1.1
219.13901	0.5
225.14894	0.3
233.06671	4.2
237.14964	0.4
243.10286	0.4
253.09306	4.0
271.13535	0.9
284.03201	0.4
285.04105	1.1
285.07523	0.4
293.08801	2.3
297.04227	0.4
315.18210	24.4
316.18564	1.9
327.05225	1.2
341.14304	0.3
357.06238	0.5
369.13510	0.5
387.20163	0.7
387.27551	5.6
403.30649	1.0
447.09732	1.5
447.16907	3.6
447.22382	57.8
448.17004	0.6
448.22736	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36605	0.5
55.01777	3.7
57.03334	4.3
57.52042	0.5
58.00481	2.4
59.01265	58.0
60.01626	0.6
61.98719	2.2
69.03329	0.9
70.22659	0.5
71.01269	69.3
72.01608	0.8
72.99187	3.6
73.02834	24.8
75.00757	2.4
83.01272	9.0
85.02839	26.4
85.99996	0.7
86.03157	0.5
87.00766	4.1
89.02339	33.4
90.02684	0.5
95.01285	4.7
97.02871	2.4
98.19792	1.9
99.00780	19.8
101.02343	38.9
102.02679	0.7
102.29137	0.5
108.02087	2.0
109.02866	0.8
111.00809	3.1
113.02357	27.3
118.66660	0.4
119.03411	7.1
125.02345	3.0
129.01862	2.0
131.03413	4.7
137.02312	0.5
143.03432	2.6
149.04489	8.5
152.01086	2.9
154.46143	0.4
159.02959	4.9
161.04503	27.4
162.04915	0.8
173.05995	0.6
179.05621	2.1
191.05582	2.9
205.03455	1.6
211.13416	1.5
244.73279	0.5
253.09222	0.6
266.53439	0.4
284.03241	0.7
285.04059	1.7
285.12238	0.8
315.18207	19.0
316.18607	1.1
327.05142	0.6
348.43762	0.5
369.13800	0.5
387.20239	2.0
387.27441	3.1
398.16101	0.5
398.38034	0.5
403.30936	1.9
408.11758	0.5
447.11484	2.6
447.17676	4.2
447.22418	100.0
448.16635	1.0
448.22708	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.6
57.17080	0.4
58.00475	0.5
59.01262	100.0
60.01605	0.9
61.98722	0.5
70.81561	1.1
71.01270	6.7
73.02834	1.5
83.01279	0.8
85.02841	2.5
87.00780	0.9
89.02330	6.2
90.03841	0.4
94.63787	0.4
99.00809	0.8
99.04432	0.6
100.78882	0.4
101.02339	4.2
105.02177	0.4
108.02081	0.9
109.02920	0.6
112.15814	0.5
113.02348	3.9
119.03423	2.8
125.02350	0.6
143.03423	1.0
151.00262	0.6
152.01093	1.7
153.01845	0.6
161.04504	4.1
177.01828	0.5
179.05589	1.1
199.24998	0.4
213.05553	0.9
217.05212	0.5
225.15088	0.5
241.05170	1.1
256.03738	0.5
257.04654	1.1
284.03329	5.0
285.04111	12.8
285.07166	0.9
286.04492	1.0
297.03870	0.5
327.05179	2.3
357.06448	0.6
387.20285	10.9
387.24982	0.6
388.20737	0.9
447.09024	5.7
447.22455	1.4
448.09885	0.6
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
52.66165	0.2
55.01776	0.4
57.03336	0.4
59.01266	100.0
60.01608	1.0
61.98707	0.5
62.37047	0.2
70.43845	0.6
70.44200	0.3
71.01270	8.1
72.99216	0.5
73.02837	2.2
75.00764	0.2
78.80605	0.2
83.01263	1.1
85.02850	3.4
87.00777	0.8
89.02334	4.3
93.03372	0.3
95.01299	0.5
97.02888	0.2
99.00786	1.0
101.02349	6.6
108.02103	0.3
109.02901	0.7
113.02368	4.3
117.03381	0.7
119.03450	1.6
121.02871	0.5
123.04502	0.2
125.02364	0.5
133.02945	0.7
135.04472	0.6
135.08069	0.2
137.02438	0.5
143.03448	0.7
149.02423	0.7
151.00380	0.5
151.03925	0.3
152.01123	0.4
159.02991	0.4
161.02464	0.4
161.04512	6.7
163.00327	0.5
163.03979	0.6
163.11288	0.3
165.01918	0.8
175.04080	0.2
177.01965	0.2
178.79105	0.2
179.05652	0.7
187.07787	0.2
189.12744	0.3
205.03645	0.3
205.41898	0.3
207.02963	0.5
207.13928	0.5
211.13376	0.3
225.05562	0.2
225.15088	0.7
241.05028	0.2
255.07011	0.3
256.03574	0.2
257.04617	1.0
269.04684	0.4
281.04703	0.3
284.03403	0.9
285.04196	3.0
285.07663	0.6
297.04202	0.9
298.04852	0.6
299.05746	1.3
309.04193	0.3
311.05817	0.3
327.05145	6.0
328.05737	0.7
357.06079	1.1
387.15265	0.5
387.20355	11.6
388.20865	1.1
431.19437	0.6
447.08936	4.7
447.22824	0.9
447.30273	0.3
448.09985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.3
59.01265	100.0
60.01608	1.1
61.98717	0.8
71.01276	4.8
72.99225	0.3
73.02838	0.5
83.01277	0.3
83.82372	0.2
85.02853	1.1
89.02335	5.8
89.02843	0.4
101.02340	2.9
113.02382	2.3
115.65213	0.2
119.03403	2.5
123.18058	0.3
125.02403	0.3
131.03429	0.4
133.02873	1.6
135.04407	0.4
143.03448	0.6
149.04570	0.3
159.02939	0.2
161.04518	4.0
163.00273	0.2
165.01923	0.4
175.03941	0.3
179.05598	1.5
189.12814	1.5
207.13913	0.9
240.04579	0.2
241.05116	0.3
284.03259	0.6
285.04022	1.4
297.04086	2.4
298.04767	1.3
299.05679	2.3
311.05780	0.4
325.03754	0.3
327.05161	10.7
328.05484	1.1
339.05173	1.0
357.06250	5.4
358.06589	0.6
387.20389	5.3
388.20670	0.4
429.08353	0.7
447.09412	8.6
447.22552	1.4
448.09799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18311	0.2
58.00472	0.5
59.01263	100.0
60.01595	0.9
61.98724	0.3
62.51577	0.2
69.64318	1.5
71.01266	9.7
72.01579	0.2
72.99201	0.7
73.02857	0.6
85.02850	1.0
86.19819	0.2
87.00771	0.7
89.02337	17.5
95.01290	0.4
101.02346	5.8
113.02354	5.2
113.03173	0.3
119.03417	6.8
125.02360	0.2
131.03439	0.8
143.03416	1.7
143.08533	0.2
149.04520	0.8
161.04489	2.8
179.05562	14.1
180.06004	0.4
302.75775	0.2
340.93176	0.2
387.20331	1.7
388.20782	0.5
423.65637	0.2
447.10080	0.3
447.22293	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	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11246	0.3
56.35041	0.3
58.00480	0.4
59.01266	100.0
59.06201	0.3
60.01597	0.6
70.82379	0.9
71.01269	10.0
72.99204	0.9
73.02853	1.1
83.01321	0.4
85.02859	1.8
86.84951	0.4
87.00780	0.6
89.02338	12.0
95.01324	0.4
100.55633	0.3
101.02341	5.7
113.02354	4.4
119.03407	5.5
131.03418	0.9
139.00291	0.3
143.03496	1.8
154.01402	0.4
161.04518	2.8
179.05574	10.0
223.06279	0.3
225.15192	0.4
387.20282	1.0
447.22479	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	447.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13845	0.1
55.01757	0.2
55.60106	0.1
57.03333	0.5
58.00490	0.2
59.01263	100.0
60.01604	1.0
61.98718	2.5
69.03336	0.1
71.01270	5.2
71.56814	0.2
72.01614	0.1
72.99197	0.5
73.02840	0.8
75.00763	0.2
81.03358	0.1
83.01292	0.5
85.02843	1.4
87.00791	0.6
89.02335	4.1
95.01317	0.3
97.02854	0.1
99.00797	0.4
99.04417	0.1
101.02348	3.1
107.01326	0.1
108.02086	0.3
109.02882	0.3
111.00806	0.2
113.02351	2.2
115.00331	0.2
117.03366	0.1
119.03417	2.0
119.04910	0.1
121.02887	0.2
125.02399	0.5
131.03456	0.2
133.02852	0.5
135.04443	0.1
137.02345	0.2
141.00783	0.1
143.03419	0.5
149.02411	0.2
149.04565	0.1
150.03065	0.1
151.00330	0.2
151.03970	0.1
152.01105	0.4
156.57831	0.1
159.02989	0.3
161.02463	0.2
161.04494	2.6
163.00356	0.1
163.03990	0.2
165.01900	0.1
167.22096	0.1
175.04065	0.2
177.01833	0.5
179.05571	1.0
185.06081	0.1
195.04385	0.1
199.04048	0.1
207.14038	0.2
211.04102	0.1
211.13414	0.6
213.05714	0.1
215.03767	0.1
225.14993	0.1
227.03575	0.3
239.03572	0.1
241.05219	0.3
255.03093	0.2
256.03711	0.2
257.04742	0.3
269.04880	0.1
283.02786	0.1
284.03366	1.7
284.06479	0.1
285.04120	4.4
286.04544	0.3
297.04178	0.3
298.04852	0.2
299.05768	0.3
299.99222	0.2
315.01733	0.1
327.05164	1.5
327.08954	0.1
328.05661	0.2
339.05225	0.2
356.80731	0.1
357.06140	0.6
387.20303	8.3
388.20703	0.9
431.19412	1.1
447.09198	2.1
447.21692	1.2
448.10184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49438	0.3
57.03335	4.8
58.00478	0.7
59.01263	100.0
60.01608	1.0
61.95880	0.3
61.98714	1.3
69.03355	0.6
69.22797	2.4
69.23209	0.8
71.01266	17.1
72.99206	0.7
73.02834	16.5
83.01275	6.0
83.04900	0.4
85.02835	3.1
87.00773	0.7
89.02339	8.2
95.01314	0.7
97.02837	0.7
99.00779	0.8
99.04402	0.9
101.02345	16.3
107.01305	0.5
109.02871	1.0
112.05258	0.5
113.02359	6.9
119.03430	3.8
119.04920	0.5
121.02855	0.4
123.04374	0.4
125.02358	2.1
127.00345	0.7
130.33450	0.3
130.84966	0.3
131.03412	1.6
133.02872	4.8
134.07268	1.0
135.04419	0.6
137.09630	0.7
143.03462	2.1
149.02411	0.6
149.04497	1.8
149.09657	11.4
150.10007	0.6
151.00285	0.8
151.04036	0.4
155.03491	0.4
161.04507	7.4
163.00313	1.1
163.03957	0.8
165.01926	0.8
167.10728	21.7
168.11096	0.8
175.03993	1.2
177.01807	0.4
179.05585	1.7
193.01482	0.4
203.05672	0.3
207.13879	0.9
221.06508	0.5
225.14961	2.7
226.15205	0.4
240.25848	0.3
241.05147	0.4
241.43892	0.3
243.16127	0.6
253.05153	0.6
283.05896	0.7
284.03339	3.4
285.04120	5.6
286.04434	0.7
297.04105	4.3
298.04837	2.5
299.05667	5.2
300.06000	0.4
309.03867	0.4
311.05621	0.8
327.05145	30.1
328.05432	2.8
339.05072	1.0
357.06207	8.5
358.06570	0.5
369.06113	0.7
387.20309	5.9
388.20639	0.4
405.21115	0.5
447.03354	0.7
447.09357	11.3
447.23270	2.2
448.09903	1.8
462.16602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.7
61.98706	0.5
62.96288	1.3
65.08590	0.1
67.23294	0.1
71.01230	0.1
71.09959	0.2
78.95790	37.1
89.02335	0.2
96.96868	2.2
101.02300	0.1
101.95624	0.1
144.63257	0.1
149.00027	19.4
150.00375	0.3
151.01599	0.2
154.44687	0.1
158.92477	1.5
159.37746	0.1
161.04526	0.2
178.99577	0.2
179.01099	2.4
194.91031	0.1
200.47221	0.1
205.15927	1.3
206.16518	0.1
240.96762	0.4
267.11536	0.4
285.04218	0.2
333.06635	0.2
347.08304	0.3
387.20541	0.2
417.07715	0.1
417.12762	0.6
418.12695	0.1
431.10403	2.8
432.10855	0.4
447.13489	100.0
448.13843	10.3
464.09998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.4
59.01265	17.9
59.49392	0.6
61.62841	0.7
61.98712	2.0
62.04212	0.6
69.63305	1.4
69.63710	4.3
71.01270	3.7
73.02827	1.9
74.86151	0.7
74.99788	0.6
83.01320	0.7
85.02837	1.9
87.00772	100.0
88.01087	1.3
89.02345	1.0
97.06487	5.3
98.19872	1.1
99.00801	0.6
101.02344	3.1
113.02345	1.9
117.03289	0.7
125.26313	0.8
130.98792	1.6
130.99786	33.9
131.05011	1.1
132.00122	0.8
145.02873	3.1
145.06552	2.6
146.03656	2.3
147.04433	2.1
147.08125	2.0
149.05988	0.9
151.00235	0.8
157.06540	1.0
158.03720	4.4
159.04486	5.3
159.08124	1.2
160.05214	1.3
161.04585	1.6
161.05920	1.6
171.04424	1.4
171.08147	2.5
172.05254	2.2
173.06033	24.9
174.03174	2.0
174.06802	8.8
175.07632	10.7
185.06082	2.3
186.06845	2.5
187.03999	2.1
187.07613	8.1
188.04768	4.1
189.05548	4.4
189.09172	7.0
191.03392	0.9
197.06033	1.2
198.03227	1.8
199.03915	3.4
199.07640	8.4
200.04813	1.6
200.08385	2.1
201.05556	2.4
201.09201	6.4
202.06354	2.8
203.07114	10.1
211.13399	3.0
213.05562	1.1
214.06346	2.9
215.07115	10.3
215.10622	1.6
216.03920	0.7
216.07823	2.5
217.08672	9.9
218.09488	16.7
219.10045	1.1
225.09251	2.0
226.10008	1.1
227.07140	11.4
228.07895	6.5
229.08641	3.3
233.08032	1.0
243.06660	5.1
243.10342	5.4
243.13966	1.2
244.07368	1.7
244.10851	1.0
245.08162	5.0
246.08722	0.8
263.13504	0.8
271.06281	1.5
271.13391	1.8
272.06909	1.9
285.04221	1.1
285.20770	1.7
288.10172	0.9
297.14734	0.7
313.14529	2.5
325.14487	5.5
327.05319	2.3
341.14023	3.5
343.15735	2.2
344.56546	0.8
350.10153	11.1
351.10611	1.5
369.13577	9.7
387.15009	1.4
387.20370	2.6
429.15536	1.0
447.16705	93.1
447.26520	3.9
448.16995	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	447.1306
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.01779	0.9
57.03325	1.6
59.01262	37.9
60.16919	0.7
61.98701	3.5
65.00220	0.5
67.01765	1.0
67.39200	0.6
68.99724	0.7
69.03342	72.6
70.03671	1.9
70.92170	2.1
71.01275	6.5
72.99181	1.3
73.02830	2.9
75.00772	0.7
79.01761	7.7
79.02144	0.7
81.03351	3.8
81.27047	0.8
83.01292	1.5
85.02834	4.5
87.00768	2.7
87.04401	1.1
88.98682	0.8
89.02345	2.1
93.03360	1.0
95.01277	7.8
97.02849	46.8
98.03138	0.8
99.00800	1.5
101.02366	4.1
107.01288	36.0
107.04903	1.0
108.02088	18.3
108.96421	0.6
109.02870	9.4
113.02354	3.1
119.03455	0.7
119.04969	2.5
121.02869	8.5
123.00797	13.0
123.04448	1.0
124.01132	0.6
125.02364	96.8
126.02692	2.3
133.02881	3.7
134.03702	1.2
135.00821	3.6
135.04445	2.6
136.01610	6.4
137.02383	7.5
147.04480	0.9
149.02371	3.8
150.03154	0.8
151.00304	76.1
152.01120	6.9
153.01877	19.4
161.02356	1.2
161.04524	1.6
163.03944	7.2
165.01842	1.5
169.06537	1.5
175.04047	1.3
177.01881	12.2
178.02347	0.8
179.03394	0.7
179.05600	0.8
185.68640	0.8
189.01927	1.4
191.03470	1.3
197.06046	8.6
198.06578	0.8
211.13373	1.2
212.16000	0.7
213.05539	1.8
215.07065	1.2
218.75423	0.7
219.02963	1.3
242.05876	100.0
243.06621	67.4
243.09302	1.4
244.07037	4.4
255.06912	1.0
279.05179	7.6
284.03391	3.0
285.04065	5.7
285.07721	8.2
286.08145	1.1
297.06122	11.9
298.06598	0.7
304.59869	0.7
327.05170	2.2
339.07230	14.5
340.07349	1.3
357.06219	0.9
375.27600	0.8
387.20132	2.0
387.27899	3.7
403.30750	2.6
415.43985	0.7
447.12933	17.6
447.26105	2.4
448.13000	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	447.0945
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01761	0.5
57.03328	1.0
59.01264	18.8
59.02399	0.3
61.98724	0.8
63.02304	0.3
65.00216	0.6
71.01271	4.1
71.04902	0.5
72.99195	0.8
73.02832	1.8
75.00768	0.9
83.01270	0.8
85.02845	1.2
87.00745	0.4
89.02355	1.8
91.84435	0.3
93.03375	0.5
95.01234	0.4
97.06476	0.4
99.04434	0.4
101.02368	2.3
107.01308	1.3
108.02081	1.6
109.02853	1.5
113.02356	1.5
116.00337	0.3
119.03420	0.8
119.04948	0.9
121.02859	0.9
123.00764	0.4
123.04419	0.4
123.08086	0.5
125.02342	1.1
133.02872	4.0
135.00830	0.6
135.04443	0.7
136.01526	0.4
137.02350	0.5
137.09676	0.6
143.04994	0.4
147.04430	1.2
148.01587	2.2
149.02336	1.4
150.03156	0.6
151.00304	3.0
151.03944	0.4
152.01109	2.1
152.25328	0.4
153.01892	0.6
153.09145	0.5
155.95563	0.3
158.03702	0.8
159.04547	0.7
161.02435	0.5
161.04504	1.6
163.00305	0.5
165.05447	0.6
171.04433	0.4
175.03966	1.5
176.01097	2.5
177.01906	3.2
178.49222	0.3
179.05516	0.9
183.04384	0.5
185.06078	0.8
187.03960	0.7
189.05511	0.4
191.03424	0.7
197.05936	0.6
199.04031	1.8
200.04839	0.8
201.01942	0.9
203.03503	0.5
205.05002	0.5
211.03970	2.3
212.04755	1.7
213.05679	2.1
214.02600	0.4
215.03459	0.8
216.04097	0.4
217.04965	0.7
221.04546	0.3
223.03998	1.0
225.15009	0.4
226.02881	0.4
227.03522	4.6
228.04204	1.1
229.05064	1.5
229.10931	0.4
229.26657	0.4
239.03575	1.7
240.04207	1.0
241.05156	0.9
242.02229	0.9
243.02951	1.0
255.03040	3.1
256.03802	2.0
257.04553	2.1
267.02942	0.9
268.03650	0.5
269.04547	0.6
269.08087	0.4
271.02542	0.4
283.02551	3.0
284.03329	39.0
285.04102	100.0
286.04480	6.7
297.03827	0.8
298.04883	0.6
299.05719	0.7
300.02902	0.6
301.03656	0.4
311.05710	0.5
313.07083	0.9
325.07327	1.8
327.05093	3.4
337.07120	0.4
342.44861	0.4
343.08188	1.9
355.08179	1.5
357.06226	1.2
387.20279	2.1
403.27155	0.5
411.10880	0.5
429.11783	1.2
447.08377	37.2
447.13974	9.2
447.25937	7.2
448.09720	3.6
448.14410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.8
57.54212	0.7
59.01265	31.6
60.16359	0.6
65.00192	1.5
65.73527	0.6
69.24442	1.8
69.24859	5.3
71.01267	3.5
73.02840	1.4
79.01785	1.3
81.03362	0.9
83.01276	1.0
85.02861	1.3
89.02354	2.7
91.01768	1.8
91.47997	0.6
93.03354	5.6
101.02348	1.9
104.86797	0.7
107.01273	1.2
107.04951	0.8
108.02094	1.0
109.02859	3.9
113.02347	1.2
117.03370	6.2
119.04928	2.9
121.02879	2.7
123.04413	0.9
125.02388	2.1
132.23012	0.7
133.02893	4.5
135.00835	0.8
135.04430	3.1
136.98730	2.3
137.02379	7.4
139.03944	0.8
145.02861	1.4
147.04457	0.7
149.02367	2.2
151.00380	3.5
151.03915	1.6
152.01102	0.8
153.01904	2.1
161.02345	3.8
161.04454	3.2
163.00294	3.4
163.03978	1.9
164.01097	1.1
165.01891	11.1
169.06587	0.9
175.03972	1.1
177.01898	4.0
178.99812	1.0
179.03450	2.3
186.03137	0.8
187.04002	1.4
189.01895	2.5
191.03467	1.3
193.01440	1.8
195.02930	1.3
196.05371	0.8
199.04036	1.1
199.07588	1.3
200.04736	0.7
205.01413	1.1
206.02229	1.9
207.02948	6.6
209.06044	1.5
211.04053	1.4
211.07787	1.2
213.05589	1.0
219.02927	0.8
221.00909	1.0
225.05627	1.4
225.14978	1.7
227.03636	1.4
227.07108	1.0
233.00758	0.8
237.05695	1.2
240.04260	1.7
241.05090	1.3
253.05075	3.1
255.02957	1.1
255.06631	2.1
269.04587	3.1
271.06265	0.9
281.04669	7.4
282.05106	1.5
283.02676	1.7
283.06155	4.0
284.03329	14.9
285.03976	8.4
286.04651	0.7
297.04120	9.8
298.04785	5.3
299.05624	16.7
300.06094	2.1
309.04147	1.9
311.05621	2.1
327.05161	100.0
328.05518	10.3
339.05066	1.8
357.06302	16.7
358.06531	1.8
369.06409	1.1
387.20316	4.2
429.08368	2.0
447.09396	93.1
448.09735	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	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.5
59.01265	16.6
60.82516	0.4
61.98711	0.6
65.00229	0.4
68.97885	0.4
71.01265	3.0
71.28477	0.7
73.02834	2.0
77.03867	0.6
79.01797	0.8
79.89481	0.4
83.01297	1.0
85.02844	0.6
86.38679	0.4
89.02323	2.6
90.31960	0.4
93.03371	0.4
97.02901	0.9
101.02338	2.5
107.01289	0.7
109.02885	1.7
112.74967	0.4
113.02377	1.7
119.03429	1.5
119.04958	1.0
121.02893	1.7
125.02397	1.4
131.03418	0.5
133.01868	0.9
133.02867	12.4
133.03828	0.8
135.04439	1.2
137.02390	0.5
143.03432	0.6
147.04468	1.1
149.02365	1.1
149.09691	0.9
161.02438	1.8
161.04553	1.9
163.00337	1.9
163.03949	2.2
165.01891	1.3
167.10699	2.1
175.03920	3.0
177.01869	1.1
179.05627	2.7
191.03493	1.7
193.01411	1.0
199.03976	1.3
200.04990	0.5
201.01941	1.6
211.03955	0.8
212.04854	0.6
213.05588	0.8
225.05580	1.3
227.03564	0.6
229.05199	0.5
239.03548	0.5
239.07208	0.4
240.04291	1.2
241.05167	0.9
253.05148	1.1
255.03070	1.0
255.06693	0.8
256.03845	0.5
267.06827	0.4
269.04520	1.1
283.06219	0.5
284.03345	8.8
284.06454	0.4
285.04086	6.5
297.04114	11.7
298.04868	8.3
299.05646	16.3
300.06027	1.3
309.04172	1.1
311.05768	1.9
314.03668	0.5
325.03687	0.6
327.05157	100.0
328.05505	9.2
339.05249	2.7
341.06900	0.6
357.06232	29.6
358.06613	2.9
369.06335	3.4
387.20306	1.2
393.06216	1.3
447.09378	35.9
448.09708	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	447.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76243	0.3
57.03400	0.3
59.01265	21.9
60.67017	0.4
61.98741	0.3
65.00230	0.4
69.07852	0.3
69.44000	2.4
71.01263	2.6
73.02828	0.8
77.03856	0.9
83.01275	0.4
85.02847	0.7
87.00764	0.3
89.02332	3.3
95.03006	0.3
97.02832	0.7
101.02351	1.5
105.03349	0.7
107.01301	1.0
109.02870	2.0
113.02354	1.7
119.03425	1.1
119.04961	0.8
120.51237	0.3
121.02872	1.7
125.02378	1.0
133.02879	11.5
135.00830	0.7
135.04459	1.1
137.02357	0.5
143.03435	0.8
145.02934	0.4
147.04468	1.2
148.01619	1.2
149.02376	1.5
151.00284	1.4
151.03972	0.5
161.02411	1.1
161.04416	1.7
163.00346	2.6
163.03983	2.9
165.01892	1.5
173.02429	0.7
175.00359	0.5
175.03972	3.4
176.01019	0.3
177.01895	0.8
179.03462	0.4
179.05586	1.4
184.24557	0.4
185.06096	0.3
189.01913	0.9
191.03506	1.8
193.01407	1.2
197.06129	0.4
198.03214	0.6
199.03984	1.5
200.04739	0.8
201.01921	1.3
203.03481	0.4
207.13876	0.5
211.03996	1.3
212.04701	0.9
213.05531	1.4
215.03452	0.4
217.05043	0.4
223.03915	0.4
224.04851	0.5
225.05586	1.4
225.14862	0.4
226.06242	0.3
227.03543	2.1
228.04266	0.7
229.05089	1.0
239.03491	1.1
240.04338	0.9
241.05040	1.4
242.02318	0.4
243.03094	0.4
253.05125	1.3
255.02951	2.6
255.06647	0.8
256.03778	1.8
256.36349	0.4
257.04480	1.1
269.04492	1.0
283.02692	1.6
284.03333	25.5
285.04102	43.5
286.04401	3.0
288.17563	0.4
297.04132	12.0
298.04843	7.8
299.05673	14.7
300.05927	1.0
309.04022	0.9
311.05740	2.5
314.03882	0.7
314.37616	0.3
325.03430	0.7
327.05167	100.0
328.05524	8.7
339.05219	2.9
341.06512	0.5
357.06241	33.1
358.06570	2.3
369.06296	2.9
387.20367	3.3
388.20660	0.4
393.06284	1.9
399.07272	0.5
411.07446	0.4
447.09424	53.4
448.09894	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	446.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.5
60.01614	0.4
61.01694	0.4
61.98717	100.0
62.98433	0.4
63.35558	0.3
71.01266	1.3
71.52248	0.5
78.95792	2.0
85.02846	0.8
87.00770	6.0
89.02335	0.5
96.96874	0.4
99.04397	2.3
101.02353	1.0
119.03378	0.4
129.01836	0.3
130.99829	1.8
133.02864	0.4
152.99504	3.0
167.15231	0.3
173.06058	0.7
175.21158	0.3
182.02907	0.5
201.09232	0.5
211.13492	1.2
218.09532	0.5
284.03503	0.6
285.04218	0.6
285.07678	0.5
327.05209	0.7
350.10217	0.7
387.20447	0.5
447.09329	0.9
447.16718	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	446.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	7.3
60.01596	0.5
61.98718	100.0
71.01269	0.7
71.09341	0.7
72.53896	0.4
77.14059	0.3
78.33713	0.3
78.95786	0.5
85.02843	0.3
101.02303	0.3
119.03436	0.4
136.55597	0.3
186.92578	0.3
235.29709	0.4
312.22784	0.6
447.31631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0943
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01786	0.8
57.54212	0.7
59.01265	31.6
60.16359	0.6
65.00192	1.5
65.73527	0.6
69.24442	1.8
69.24859	5.3
71.01267	3.5
73.02840	1.4
79.01785	1.3
81.03362	0.9
83.01276	1.0
85.02861	1.3
89.02354	2.7
91.01768	1.8
91.47997	0.6
93.03354	5.6
101.02348	1.9
104.86797	0.7
107.01273	1.2
107.04951	0.8
108.02094	1.0
109.02859	3.9
113.02347	1.2
117.03370	6.2
119.04928	2.9
121.02879	2.7
123.04413	0.9
125.02388	2.1
132.23012	0.7
133.02893	4.5
135.00835	0.8
135.04430	3.1
136.98730	2.3
137.02379	7.4
139.03944	0.8
145.02861	1.4
147.04457	0.7
149.02367	2.2
151.00380	3.5
151.03915	1.6
152.01102	0.8
153.01904	2.1
161.02345	3.8
161.04454	3.2
163.00294	3.4
163.03978	1.9
164.01097	1.1
165.01891	11.1
169.06587	0.9
175.03972	1.1
177.01898	4.0
178.99812	1.0
179.03450	2.3
186.03137	0.8
187.04002	1.4
189.01895	2.5
191.03467	1.3
193.01440	1.8
195.02930	1.3
196.05371	0.8
199.04036	1.1
199.07588	1.3
200.04736	0.7
205.01413	1.1
206.02229	1.9
207.02948	6.6
209.06044	1.5
211.04053	1.4
211.07787	1.2
213.05589	1.0
219.02927	0.8
221.00909	1.0
225.05627	1.4
225.14978	1.7
227.03636	1.4
227.07108	1.0
233.00758	0.8
237.05695	1.2
240.04260	1.7
241.05090	1.3
253.05075	3.1
255.02957	1.1
255.06631	2.1
269.04587	3.1
271.06265	0.9
281.04669	7.4
282.05106	1.5
283.02676	1.7
283.06155	4.0
284.03329	14.9
285.03976	8.4
286.04651	0.7
297.04120	9.8
298.04785	5.3
299.05624	16.7
300.06094	2.1
309.04147	1.9
311.05621	2.1
327.05161	100.0
328.05518	10.3
339.05066	1.8
357.06302	16.7
358.06531	1.8
369.06409	1.1
387.20316	4.2
429.08368	2.0
447.09396	93.1
448.09735	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	446.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31058	0.1
53.33562	0.1
54.50712	0.1
55.01756	0.2
57.03333	0.2
58.00464	0.2
59.01263	9.0
68.01302	0.5
69.03352	0.2
69.20782	1.2
71.01271	2.8
72.53147	0.1
72.99196	0.3
73.02835	1.3
78.23817	0.1
81.03337	0.2
83.01278	0.3
83.04911	0.1
83.55590	0.1
85.02837	1.2
87.00772	0.3
88.98721	0.2
89.02337	2.5
95.01291	0.2
95.04906	0.2
97.02850	0.3
98.02399	0.1
99.00787	0.3
99.04408	0.4
101.02345	3.2
103.03915	1.8
113.02352	0.8
119.03415	1.4
121.02857	0.1
122.02372	0.2
123.03179	9.3
124.03503	0.2
125.02377	2.0
126.02620	0.2
127.03944	0.2
131.03421	0.3
135.04381	0.1
136.03984	0.2
137.04744	0.1
138.05537	100.0
139.00255	0.2
139.04842	0.2
139.05878	3.3
143.03438	0.5
144.46147	0.1
145.05005	0.3
152.01019	0.2
152.07097	0.3
160.01550	0.2
161.04494	0.5
163.06076	2.3
165.04256	0.2
168.06638	0.1
179.05574	0.3
180.06580	0.9
181.08696	0.1
205.07127	0.3
210.07747	0.3
245.80486	0.1
247.08296	0.9
272.24579	0.1
277.10626	0.2
285.04059	0.4
300.10901	0.2
307.10364	1.2
319.08121	0.1
355.26340	0.1
387.20340	0.5
409.49963	0.1
446.16763	14.5
447.09833	0.4
447.17020	1.5
447.22717	0.2
456.41913	0.1
464.18289	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	445.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82665	1.3
54.08238	1.3
56.37651	1.1
57.03319	1.5
57.94729	1.3
59.01266	100.0
60.01594	1.3
61.98713	9.3
66.85201	1.2
71.01273	4.5
71.51867	1.3
71.52324	1.7
79.32494	1.1
82.65989	1.1
84.34938	1.1
89.02337	4.9
91.03534	1.1
91.03927	10.9
101.02383	2.4
103.85892	1.3
113.02354	1.9
127.11221	2.6
138.06784	2.2
152.08371	1.5
153.09122	3.4
153.49213	1.3
161.04482	2.2
171.10254	2.4
201.11299	19.5
205.12256	2.1
223.13358	2.1
275.20303	3.0
293.21262	4.7
294.32568	1.2
311.22339	64.7
312.22739	8.2
385.18613	3.2
445.29846	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	445.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36395	1.5
54.36654	1.5
59.01260	3.1
62.13016	1.4
66.12766	1.5
71.06516	4.1
121.06490	10.1
122.04311	1.6
136.05220	21.4
149.06015	100.0
150.06340	4.0
152.61339	1.6
263.58020	1.8
295.26523	7.4
302.82761	1.8
427.32343	3.3
430.30957	4.1
445.33301	84.5
446.33533	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	445.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22086	0.4
59.01263	100.0
60.01588	1.0
60.27433	0.4
61.98727	1.2
65.82594	0.4
67.51588	0.4
71.01273	1.3
71.51291	0.6
89.02356	1.8
91.03897	3.5
96.95924	0.5
101.02401	0.8
107.86908	0.4
113.02371	0.8
121.02924	0.6
130.16283	0.5
152.08488	0.6
153.09151	0.6
161.04558	1.1
181.12335	0.6
197.11795	0.5
211.13467	1.6
223.13472	0.5
265.20813	0.5
293.21548	1.2
311.22348	14.1
312.22757	1.5
385.18887	1.5
385.26398	0.5
432.41382	0.4
445.30035	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	445.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96930	1.1
57.03328	2.4
59.01264	100.0
60.01600	1.4
61.56439	1.1
61.96721	1.1
61.98722	14.3
68.69571	1.1
71.01280	5.9
71.52444	2.1
78.95797	2.2
85.02842	2.8
87.04399	6.5
89.02341	9.2
89.17872	1.1
91.03907	20.9
93.18022	1.1
94.06833	1.0
101.02335	2.1
103.53373	1.2
107.63468	1.0
108.58067	1.3
110.39362	1.3
113.02341	3.2
119.03463	1.8
119.18369	1.2
121.02875	2.8
124.65070	1.1
139.43205	1.2
149.05815	1.5
150.46350	1.3
152.99527	2.7
153.09184	3.9
161.04492	3.0
165.08980	1.9
165.12776	4.8
187.70389	1.2
205.12489	1.2
209.11826	5.5
223.13474	2.7
223.17055	17.4
224.17314	1.5
227.12801	5.5
235.16995	1.9
275.20215	3.5
293.21310	4.4
311.22345	79.8
312.22687	8.3
385.18640	2.2
445.20639	7.7
445.29630	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	445.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37827	0.3
59.01261	5.3
64.31558	0.3
69.95509	1.5
71.01242	1.0
72.39117	0.3
73.02808	0.5
78.95790	20.0
82.67532	0.3
85.02844	0.3
89.02316	0.7
93.92709	0.3
94.98928	0.4
104.97327	0.5
110.98436	13.6
114.53734	0.3
136.99973	0.7
152.99507	0.3
153.09094	0.5
153.66345	0.3
161.04506	0.5
167.01094	16.4
168.01450	0.3
179.05536	0.4
185.02162	4.3
205.12247	0.3
222.02654	0.3
223.13440	0.4
229.94702	0.3
233.22610	0.3
259.20630	0.4
275.20068	0.3
277.21765	100.0
278.22141	9.8
346.19684	0.3
353.89520	0.3
385.18674	0.4
445.23730	26.4
445.29050	1.1
445.33484	1.2
446.24121	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.8
61.98724	0.2
64.49787	0.2
70.54205	0.7
78.95797	5.6
89.02351	0.3
97.62344	0.2
110.98450	4.4
120.84796	0.2
127.07608	0.2
129.68350	0.2
151.54863	0.2
152.99574	0.3
154.20549	0.2
167.01117	1.7
175.42578	0.3
185.02184	4.7
231.97824	0.2
250.41827	0.3
259.20642	0.3
275.20294	0.3
277.21780	100.0
278.22134	9.6
278.24445	0.2
316.27274	0.2
328.94962	0.2
364.86243	0.2
445.23712	9.1
445.33087	0.4
446.24075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15971	0.5
59.01264	100.0
59.72832	0.5
59.76024	0.4
60.01585	0.6
61.98716	1.5
62.58512	0.5
67.34772	0.4
71.01280	1.6
71.53584	1.1
73.94614	0.5
77.30714	0.5
78.07699	0.5
85.02889	0.6
89.02353	1.9
91.03904	2.5
99.58411	0.5
101.02362	0.8
113.02370	0.6
119.03445	0.6
153.09126	1.2
159.42792	0.5
182.21616	0.6
197.11758	0.6
205.12376	0.8
211.13455	1.0
223.13486	0.5
232.26425	0.6
249.22871	0.5
293.21341	1.7
311.22360	12.1
312.22839	1.4
334.74796	0.5
385.18988	1.2
445.29587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.7
59.01266	100.0
60.01602	0.7
69.40965	3.0
69.41389	3.4
71.01270	16.9
72.99198	0.7
73.02873	0.9
73.74797	0.6
83.04947	1.7
85.02851	2.6
87.00800	1.4
88.18608	0.7
89.02338	25.5
95.01287	1.2
99.00799	1.3
101.02351	9.3
111.00856	0.8
113.02363	8.0
119.03419	9.0
131.03465	1.9
141.01883	0.7
143.03468	3.2
145.73808	0.7
149.02513	0.7
159.02969	1.2
159.09859	0.7
161.02336	0.9
161.04530	4.9
165.05353	0.7
179.05576	17.5
179.07144	1.1
180.05974	0.8
194.05946	0.7
283.06201	1.6
309.15952	0.8
311.05865	1.2
312.57755	0.8
337.03705	1.1
445.07974	4.8
445.21338	0.9
446.08423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.8
59.01264	100.0
60.01598	3.0
70.72694	1.8
71.01260	30.3
71.38319	3.0
73.02812	8.4
85.02827	10.6
87.00758	2.9
89.02338	11.9
93.03379	2.0
97.02824	3.8
99.00766	8.2
101.02343	23.4
113.02374	12.9
117.03355	2.3
119.03407	7.4
121.02871	3.7
123.04414	2.1
124.05223	2.3
125.05956	2.2
131.76468	1.7
132.02097	3.0
137.02350	3.6
137.31075	1.6
138.06784	6.0
139.07582	3.1
143.03404	3.7
149.04463	1.6
149.05989	2.4
151.03951	36.9
151.07596	6.1
152.08389	8.5
153.09158	36.9
153.10313	1.2
154.09598	1.6
159.02975	2.8
161.04478	20.8
165.01907	8.0
165.09135	1.6
167.04938	2.4
179.05571	2.8
183.04443	2.8
191.05644	1.7
195.04524	5.9
205.12364	15.5
209.11823	4.0
211.03999	5.6
223.04004	3.7
223.13379	22.7
238.02788	2.6
239.03517	22.7
240.04095	5.4
253.05095	3.3
254.05763	1.7
267.02997	16.6
268.03665	7.0
276.70352	1.6
281.04688	8.9
282.05392	75.7
283.06110	71.1
284.06488	6.5
337.03644	2.9
355.76620	1.8
385.18759	31.0
386.19373	3.4
445.11948	36.4
445.19263	3.5
446.12122	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	445.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11260	0.3
55.76680	0.3
57.03337	0.4
58.00479	0.7
59.01263	100.0
60.01600	1.0
65.00214	1.3
70.92133	0.7
71.01267	10.4
72.99193	0.7
73.02850	1.4
74.82455	0.3
75.00774	0.4
80.02585	0.3
81.03330	0.4
83.01281	1.4
83.04929	1.1
85.02828	2.4
87.00771	1.5
88.23726	0.3
89.02338	10.8
95.01319	0.4
97.02834	0.4
99.00745	0.4
101.02342	6.4
107.01300	2.1
108.02120	0.4
109.02857	0.4
111.00764	0.4
113.02352	4.8
119.03423	5.8
119.04875	0.6
125.02392	0.7
131.03438	0.8
135.04462	0.4
143.03455	1.6
151.00304	5.2
152.07118	0.4
159.02991	0.5
161.04514	2.7
161.09714	0.5
163.11238	1.0
165.12837	0.7
176.08458	0.4
176.41713	0.3
179.05588	2.9
187.11205	2.3
188.72668	0.3
190.10052	0.4
204.11559	0.8
205.12309	2.8
206.12700	0.4
209.11819	30.8
210.12100	1.8
215.10957	0.3
233.11815	2.0
253.09349	4.1
255.03117	1.8
259.13474	0.7
269.04794	0.3
271.06232	0.7
277.14590	1.9
283.02554	1.5
364.10818	0.3
385.18790	3.2
386.19501	0.5
440.32465	0.4
445.10443	1.3
445.21155	1.1
446.08804	0.4
446.22174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01613	1.3
61.98718	1.9
71.01261	1.7
71.52303	1.7
73.02802	1.1
78.67503	0.9
89.02341	1.5
90.44258	1.1
91.03908	5.0
101.94577	1.1
108.75619	0.9
111.08102	2.0
160.57706	1.1
164.60255	1.2
187.10709	1.0
197.11850	7.1
200.41817	1.2
291.19626	6.1
309.20831	13.5
341.10910	1.4
365.38681	1.2
383.12067	1.7
425.31583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34519	0.5
57.03337	52.3
58.03680	1.2
59.01264	18.1
60.98941	0.4
61.98716	0.7
63.41529	0.4
65.78303	0.5
69.18967	5.3
71.01266	1.6
71.04880	0.6
73.02870	0.8
85.02839	1.3
87.00783	0.6
89.02351	1.8
91.05436	1.2
93.03373	1.5
95.55377	0.5
98.20559	1.2
99.00777	0.9
99.04416	51.7
100.04787	1.4
101.02344	22.4
107.04907	0.5
109.02867	6.0
110.45607	0.5
113.02344	1.0
116.73441	0.4
117.05479	0.9
117.86164	0.5
121.02856	4.1
122.03664	0.7
123.04416	0.7
123.13929	0.5
125.02390	1.6
135.04443	11.2
137.02353	2.4
143.03506	0.7
147.04457	3.2
149.05994	1.1
151.03963	0.6
153.05504	1.1
153.09190	0.5
161.04501	100.0
161.05931	4.4
161.33965	0.5
162.04800	2.6
162.06758	0.8
165.05536	1.4
167.31239	0.5
173.06006	1.0
179.07060	4.4
180.07324	0.6
188.05022	0.6
191.07043	0.6
196.68706	0.5
265.08795	0.7
266.80209	0.5
283.06812	0.6
283.09805	22.5
284.10178	2.0
301.10858	34.7
302.11295	3.4
343.11938	2.1
401.08859	0.5
401.29111	2.2
445.15305	8.4
445.28268	1.8
446.15555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84965	0.2
57.03343	0.3
58.00481	0.4
59.01265	100.0
60.01605	0.9
65.00205	0.4
69.22879	0.7
69.23298	1.1
71.01269	8.1
72.99213	0.7
73.02840	1.5
75.00742	0.2
83.01286	0.7
85.02850	2.1
87.00770	1.8
87.04422	0.2
89.02338	9.9
95.01307	0.7
99.00803	0.6
101.02348	5.8
102.02722	0.3
107.01308	0.4
111.00795	0.3
112.59914	0.2
113.01180	0.2
113.02361	4.3
119.03421	6.1
125.02367	0.3
129.01897	0.7
131.03441	0.6
143.03401	1.1
149.04526	0.5
151.00276	1.2
161.04495	3.0
161.09740	0.4
175.07628	0.3
176.08440	0.4
179.05594	2.8
187.11253	2.9
188.11528	0.2
189.09148	0.3
190.10042	0.5
203.10809	0.3
204.11554	0.8
205.12320	3.5
209.11798	1.0
215.10793	0.3
223.13487	0.5
233.11819	1.9
247.13525	0.2
255.03032	1.8
259.13522	0.7
262.03391	0.2
265.32138	0.2
269.04657	0.5
271.06155	0.3
277.14490	2.1
278.15063	0.3
283.02518	1.4
284.03531	0.2
296.03207	0.3
385.18732	2.8
386.18878	0.5
445.11243	0.2
445.20547	1.1
446.08829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26170	0.3
53.70475	0.3
59.01266	100.0
60.01607	1.2
66.73486	0.3
69.46281	2.1
69.46712	0.5
69.46872	0.3
71.01271	0.8
77.95672	0.3
88.45785	0.3
89.02339	0.9
89.21791	0.3
91.03909	3.4
98.20553	0.4
101.02393	0.4
111.08075	1.5
113.02322	0.5
126.60689	0.3
161.02400	0.4
169.12367	0.4
180.05203	0.3
183.23981	0.4
197.11815	4.7
197.13289	0.4
199.13361	0.4
207.10419	0.6
211.13443	0.5
251.01221	0.4
263.20163	0.4
281.14359	0.4
291.19717	4.4
292.20139	0.4
309.20749	11.7
310.21201	1.5
383.12225	0.5
443.17792	0.8
443.29706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28697	0.2
57.01777	0.3
57.03337	0.4
59.01264	100.0
60.01603	0.8
61.98731	0.4
62.78188	0.3
69.03356	0.3
69.70179	1.7
71.01264	0.5
89.02350	1.0
91.03903	8.1
91.04472	0.5
97.02869	0.4
109.06477	0.3
111.04497	0.3
126.81873	0.3
139.55524	0.3
145.27997	0.2
195.13878	1.7
207.10152	0.4
221.15448	1.3
223.13405	0.6
239.16595	0.4
247.20926	0.3
251.16624	0.4
273.18842	0.3
291.19687	5.0
292.20087	0.5
309.20779	22.7
310.21054	2.2
319.49554	0.3
383.24503	0.4
387.88177	0.3
397.74988	0.3
425.12274	0.3
443.14014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01609	1.5
61.98733	0.4
66.72266	0.4
71.01266	0.5
71.52261	0.7
85.66504	0.4
89.02356	0.6
91.03928	1.5
111.08038	0.9
113.05823	0.4
119.89703	0.4
131.74379	0.5
145.46388	0.5
197.11833	2.5
291.19855	2.8
309.20749	8.9
341.11188	0.5
443.28473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38160	0.4
55.01769	2.1
57.03339	2.6
58.00496	0.6
59.01265	100.0
60.01596	1.2
61.98716	1.2
67.01751	0.5
69.03362	0.6
71.01270	37.9
72.01594	0.5
72.99194	1.4
73.02836	19.7
75.00771	0.9
79.01790	1.1
80.08408	0.4
80.92603	0.4
81.03371	0.6
83.01273	5.7
83.68640	0.4
85.02844	15.1
87.00771	2.2
89.02345	7.5
91.05438	0.8
93.03345	3.9
95.01289	3.8
97.02862	1.5
98.73057	0.5
99.00777	11.2
99.04426	0.6
101.02345	27.9
102.02686	0.5
103.05474	0.5
107.01293	0.6
107.04942	1.1
109.02888	0.6
111.00801	0.8
112.01563	1.4
113.02354	14.6
114.02715	0.6
117.03379	8.7
117.62795	0.4
119.03409	0.6
119.04920	2.3
121.02877	0.9
125.02373	3.3
129.01860	1.0
131.03450	1.8
133.02867	0.7
133.06512	0.8
135.04465	4.8
137.02379	1.0
138.05518	0.9
143.03445	2.1
147.04463	1.2
149.02376	1.6
149.06010	0.9
151.00294	0.5
151.03850	0.6
153.01834	0.5
159.02943	3.3
159.04367	1.0
161.02487	2.9
161.04509	15.0
161.05872	0.7
163.03963	3.1
165.01805	0.5
171.04427	0.5
173.02321	0.5
175.03983	3.2
177.01860	1.4
177.05502	2.9
178.02594	0.6
179.03482	1.1
187.03993	0.5
189.01953	0.9
189.05515	1.0
190.02597	0.8
191.03519	3.1
191.05070	0.5
197.06044	0.6
203.03442	1.7
203.07155	1.1
205.01527	0.9
205.05063	1.8
206.75842	0.4
209.06015	1.2
221.11911	0.8
223.07628	1.1
233.04518	1.3
235.02533	1.4
237.05634	0.9
238.06418	0.9
245.04628	0.5
251.07043	0.8
251.09392	2.4
253.08710	0.8
265.03787	0.4
267.06583	1.3
268.07388	1.1
269.10361	23.4
270.10736	1.3
278.63132	0.5
279.06683	0.5
281.04608	1.6
282.05432	3.8
283.06076	2.7
294.05167	0.6
295.06219	5.9
296.06830	3.7
297.07742	33.3
298.08142	3.5
307.06216	2.7
309.07715	1.9
310.07968	0.6
311.05740	3.5
311.11404	4.9
312.05988	0.5
323.05643	8.6
324.06137	1.7
325.07251	14.5
326.07510	1.7
328.06021	3.4
335.05634	1.6
337.07303	2.5
339.05280	0.6
351.05060	1.8
353.06741	60.5
354.07016	6.8
356.05295	1.0
365.06717	7.1
366.06989	0.5
379.08221	0.8
383.07846	19.9
383.13364	1.8
384.08087	2.0
395.07825	0.8
401.14606	36.1
402.15024	3.2
407.07877	1.0
425.09198	2.7
443.09827	92.2
443.15665	41.4
444.10162	12.1
444.16061	5.2
457.34213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.2
57.03335	2.0
58.00476	1.2
59.01265	68.4
61.98706	1.4
63.34661	1.0
69.03320	1.2
71.01274	36.3
71.12254	2.6
72.99188	3.1
73.02837	19.4
75.00761	2.2
83.01270	12.4
85.02848	19.4
87.00768	2.8
89.02359	5.7
95.01278	1.8
97.02850	2.7
99.00780	6.2
99.97669	1.1
101.02351	43.5
102.02691	1.2
103.03913	1.9
107.39671	1.2
113.02361	17.2
119.03393	2.6
125.02401	2.2
134.03645	0.9
143.03430	2.1
147.04422	2.3
149.05997	2.6
149.36674	1.1
152.45677	0.9
159.02904	4.0
161.04520	14.8
174.92174	0.9
181.34161	0.9
182.61040	1.0
186.82074	1.0
223.90839	0.9
235.11900	64.6
236.12239	2.8
279.10889	1.8
381.17740	100.0
382.18036	7.7
422.77219	1.4
425.16321	1.2
441.19180	1.0
442.46262	1.1
443.81955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04589	0.4
59.01265	100.0
60.01609	0.6
61.98720	0.6
71.51017	0.8
74.23153	0.3
76.38604	0.3
78.95875	0.4
86.81547	0.3
112.85220	0.3
116.96704	0.4
141.71442	0.4
164.65543	0.3
193.47400	0.4
209.11777	0.6
217.00294	0.5
245.19038	0.6
246.09045	0.4
249.07970	0.5
284.52863	0.4
289.18100	2.8
303.12546	0.8
307.19174	3.2
321.13641	1.4
379.12064	1.0
391.38992	0.4
423.14661	0.8
441.16156	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	441.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01599	0.8
69.42096	3.1
88.16486	0.4
97.06512	0.4
98.20592	0.7
173.04578	0.4
203.96793	0.3
209.11778	1.1
217.00352	0.6
289.18188	2.6
307.19223	4.8
347.85593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02903	0.9
55.91417	0.8
59.01266	100.0
60.01601	1.1
61.98707	1.4
67.58315	0.8
71.51248	1.4
74.88606	0.8
133.20750	0.9
160.02356	1.0
217.00266	2.2
307.19250	2.4
345.64706	0.9
359.01212	1.5
390.38477	0.9
395.31885	1.0
442.25677	1.0
446.31604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23106	1.3
55.01783	1.6
57.03320	1.9
58.00474	3.3
59.01264	100.0
68.23912	1.6
70.85042	4.1
71.01271	60.1
72.99194	6.1
73.02834	9.0
75.00778	1.8
75.15116	1.4
80.19300	1.4
83.01282	2.7
85.02847	15.0
87.00769	5.9
89.02338	83.1
95.01276	1.9
96.95918	6.2
97.02818	1.7
99.00773	6.6
101.02343	35.8
109.02872	1.4
111.00772	2.7
113.02351	16.6
115.00286	1.8
119.03400	11.1
119.04833	1.6
125.02360	3.1
131.03418	27.2
133.05035	1.6
143.03407	2.8
149.04491	45.8
161.04527	2.3
165.01894	1.9
176.63202	1.3
179.05545	4.5
191.05571	11.9
195.06674	2.8
209.95073	1.9
247.11948	2.5
251.07881	1.5
267.82413	1.4
283.46042	1.4
323.13486	11.5
324.47672	1.6
324.89230	1.4
379.16153	77.6
380.16467	6.3
439.08640	2.1
439.25894	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	22.8
69.88662	100.0
71.01301	18.6
84.63210	16.7
86.92898	16.2
89.02365	15.5
108.02086	90.4
109.02872	18.9
126.27501	15.6
130.19453	17.6
152.01083	50.5
153.01834	28.1
314.83777	18.9
315.70273	18.5
336.18668	15.7
421.64572	18.7
441.18851	59.8
442.17273	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.177
Annotation	Sophoraflavanone E
Peak:m/z	Relative Intensity
51.75279	0.7
55.21308	0.8
57.03328	2.6
58.54186	1.0
59.01250	2.4
62.69595	0.8
68.91676	1.0
69.03323	0.9
71.04886	1.0
71.52345	1.4
83.01273	1.0
83.08189	0.7
87.36572	0.8
90.37788	0.9
95.04910	4.5
96.95909	2.2
97.02893	1.0
97.06496	4.3
107.04926	2.5
107.08620	1.1
109.02856	1.1
109.06496	3.0
110.03644	2.8
121.10128	0.8
123.04433	1.5
123.08060	1.6
124.01617	1.5
125.02344	1.1
125.05998	16.8
125.09618	7.2
127.07560	0.8
133.02881	5.5
135.04442	1.3
137.02362	5.9
137.64874	0.7
138.03181	4.4
139.11263	1.1
141.09177	0.8
147.08134	1.1
149.02396	1.3
151.03932	3.1
151.07596	9.0
161.02382	61.3
161.09665	0.8
162.02847	3.1
163.03943	2.6
163.11226	4.9
164.04729	4.6
165.09160	2.8
167.07109	1.5
176.08330	0.8
187.46935	0.8
191.14391	1.7
194.12857	0.7
205.08736	4.5
207.10268	12.0
208.10561	1.0
209.15442	2.0
215.14421	2.6
216.07794	0.8
216.14828	0.8
219.16800	0.8
231.13937	0.9
235.13475	1.2
259.09497	1.0
259.10394	0.9
259.13443	19.3
260.13739	1.6
264.40216	0.7
277.14484	44.5
278.14883	4.5
316.58713	0.8
324.05713	0.9
325.06320	1.8
347.26016	1.5
351.29044	2.1
368.11948	1.2
369.12451	1.2
395.27829	1.5
439.17615	100.0
439.30511	3.5
440.17966	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	439.177
Annotation	Sophoraflavanone E
Peak:m/z	Relative Intensity
51.17284	0.6
57.03330	2.4
59.01255	1.9
69.32337	5.6
71.04900	1.0
81.03353	0.6
83.01257	0.9
83.52672	0.6
93.03350	0.7
95.04928	3.3
96.95924	0.9
97.02856	1.2
97.06474	4.8
107.04951	1.7
107.08558	0.9
108.02042	1.0
109.02864	1.6
109.06496	3.2
110.03669	3.0
121.06548	0.8
123.04450	2.3
123.08047	2.2
124.01562	1.0
125.02347	2.0
125.06004	16.3
125.09631	6.6
127.07517	0.7
133.02893	5.1
135.04471	1.1
137.02385	5.3
138.03172	3.4
139.11156	1.0
141.09094	0.8
147.08115	1.0
149.02403	1.1
151.03946	2.3
151.06419	0.7
151.07590	10.0
152.07875	0.6
161.02388	49.7
162.02731	2.9
163.03978	3.1
163.11267	4.7
164.04773	3.1
165.09151	1.4
167.07098	1.0
171.10164	0.7
171.38280	0.6
177.05511	0.7
179.10721	1.0
191.07072	1.2
191.14343	0.9
203.07202	0.8
205.08730	4.8
207.10249	9.4
209.15442	2.7
211.13460	0.8
215.14406	2.7
231.06714	0.7
231.13908	0.7
235.13428	1.5
241.12489	0.7
259.09753	1.4
259.13419	18.6
260.13705	1.7
277.14502	45.1
278.14783	3.6
345.41037	0.5
347.25961	2.2
353.10461	0.7
439.17673	100.0
440.18002	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.177
Annotation	Globuliferin
Peak:m/z	Relative Intensity
59.01247	1.4
61.98715	0.8
67.79171	0.5
67.90656	0.6
69.42430	4.2
84.14555	0.3
92.11186	0.4
93.03341	0.6
95.96880	0.4
96.95924	1.1
107.04852	0.5
108.02068	0.7
109.02143	0.8
109.02862	12.8
109.06499	0.8
113.02314	0.5
115.85076	0.4
121.02872	3.2
123.04411	0.6
124.01630	0.5
125.05954	1.1
133.02937	1.0
133.06500	1.1
136.01666	0.4
137.02388	0.9
141.01776	0.5
141.95944	0.5
149.02336	0.6
159.04495	0.7
161.02370	6.0
163.00273	0.9
163.03951	0.8
172.05269	0.5
173.06113	0.4
176.01091	0.6
187.04018	0.6
189.02017	1.0
192.95757	0.5
199.07605	1.1
204.07776	0.5
205.08612	0.8
207.10280	0.5
211.04144	0.5
213.05501	0.8
219.13852	0.7
227.07146	1.2
227.10780	0.6
229.05089	0.8
231.06679	2.2
232.07236	0.6
243.06627	1.6
243.10329	0.8
243.13910	1.0
244.07466	0.6
245.08115	0.8
245.11920	0.6
251.03552	1.0
251.07248	0.5
253.05164	0.6
253.08728	0.6
255.06557	0.6
257.11981	0.9
259.13449	1.4
265.05112	1.0
265.08530	0.5
271.09766	0.9
271.13574	0.5
277.14413	2.7
279.06628	1.0
281.04630	1.7
285.11368	0.9
287.12949	5.3
293.04584	0.7
297.04074	0.7
309.04153	5.2
309.07452	0.9
310.04599	0.7
311.09372	0.7
315.12439	0.6
319.09793	0.6
320.10400	0.5
321.04187	1.0
321.07761	0.9
323.05673	0.5
335.05679	0.6
335.09357	1.1
337.07288	0.7
347.25970	11.7
348.26266	0.9
349.07227	3.2
350.07608	0.8
351.08878	1.3
352.09595	6.9
353.10303	3.0
363.08801	1.3
363.16089	0.7
364.09482	2.3
365.10352	6.8
365.27008	4.1
366.10565	0.7
379.15637	2.7
380.16119	0.7
383.35980	0.6
392.12820	1.4
393.13733	0.6
407.15073	46.5
408.15494	7.8
424.15063	0.6
439.17697	100.0
439.30484	2.1
440.18048	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	437.2918
Annotation	Herboxidiene
Peak:m/z	Relative Intensity
57.03341	5.0
59.01267	2.1
61.98718	1.1
62.02220	0.7
69.99892	0.7
71.53397	0.9
72.15516	0.7
85.02841	2.9
93.03372	0.8
95.04940	1.4
95.43625	0.7
97.02878	0.9
98.03632	2.5
158.68396	0.9
160.89224	1.2
215.08801	0.8
291.27048	1.7
295.26508	16.0
296.26794	2.4
305.25101	0.8
307.26505	1.4
321.28107	10.8
322.28488	2.0
333.28119	2.3
335.25879	3.8
351.29117	9.6
365.30740	1.1
375.24713	1.4
375.29132	19.4
376.29364	2.5
377.20270	2.3
393.30191	100.0
394.30484	11.9
419.28064	1.0
437.29083	35.5
438.29239	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	437.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12970	0.7
52.58858	0.7
55.01768	4.7
57.03340	7.4
58.00480	3.6
59.01264	71.3
69.03347	2.4
71.01268	100.0
71.04911	1.6
71.43093	1.2
72.01606	1.9
72.99196	7.3
73.02836	27.7
75.00771	2.4
81.03358	2.4
83.01282	12.9
85.02840	35.9
87.00761	7.8
89.02339	65.8
90.02655	0.9
93.53848	0.7
95.01286	4.3
97.02858	4.7
99.00777	12.8
101.02345	59.3
102.02660	1.4
103.03917	2.9
109.02844	1.7
111.00784	10.9
111.04368	0.9
113.02357	31.0
115.03914	2.3
119.03446	5.4
119.04996	1.1
125.02381	10.3
127.03852	0.9
127.79556	0.8
129.01913	1.2
131.03429	25.1
131.04416	1.6
137.02373	1.8
143.03458	6.2
143.10719	4.7
149.04498	23.1
150.04863	0.8
159.02991	4.2
161.04492	23.1
165.01810	1.6
167.03523	1.0
179.05635	1.1
191.05576	6.1
201.11372	1.2
215.05571	1.5
217.38609	1.0
220.76985	1.0
233.06715	8.0
234.11258	1.3
293.08844	3.5
305.16125	45.2
306.16489	3.8
377.18134	2.1
378.18716	1.1
401.14444	1.8
419.26736	2.1
437.20422	89.1
437.27316	4.7
438.20779	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	437.2038
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
53.71265	0.4
54.10488	0.4
55.01535	0.6
55.01762	3.2
57.03333	4.2
58.00476	3.0
59.01264	83.3
59.46776	0.4
60.01588	0.9
61.37102	0.4
61.98717	2.7
68.99682	0.6
69.03342	1.9
71.01267	95.6
71.04906	0.5
72.01610	1.1
72.99193	5.9
73.02833	23.3
73.67604	0.4
75.00756	2.1
81.03356	1.8
83.01271	8.0
83.04936	0.6
85.02840	24.8
85.06495	0.9
86.00007	0.7
86.03178	0.7
87.00772	5.5
87.04414	0.9
89.02335	100.0
90.02673	1.3
95.01287	4.2
95.44041	0.5
97.02854	4.3
97.06485	0.7
98.20570	1.0
99.00778	21.4
99.04423	1.0
100.01068	0.5
101.02343	60.9
102.02657	1.2
109.02848	1.2
111.00774	4.4
113.02354	25.4
114.02736	0.9
115.03918	1.9
119.03408	11.6
120.03691	0.4
123.08054	0.6
125.02370	10.3
127.03922	0.5
127.11241	0.6
129.01862	0.7
131.03426	27.8
132.03763	0.5
137.02350	1.0
139.03903	0.9
139.82100	0.5
143.03407	4.1
143.10718	2.7
149.04495	54.9
150.04836	1.7
159.02890	1.9
159.10216	0.5
161.04500	13.6
165.01831	0.8
167.03491	0.7
179.03368	0.6
179.05577	3.7
191.05574	14.3
192.05933	0.5
197.04494	0.5
201.11301	7.3
215.05621	0.6
221.06642	1.0
227.13023	0.5
233.06659	6.3
251.07761	3.7
253.09273	1.8
269.10339	1.8
287.15024	1.2
288.72586	0.5
293.08801	3.9
305.16119	29.2
306.16422	2.5
401.14575	13.7
401.18704	0.3
402.14948	1.5
419.26596	5.1
420.26801	0.6
437.20395	78.2
437.27408	9.5
438.20724	8.9
438.27875	1.3
438.69626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91781	0.4
59.01262	1.2
61.98711	0.4
62.61707	0.4
65.03850	0.5
69.53748	3.3
79.05426	0.5
83.01284	1.7
93.03376	0.7
98.20541	0.9
105.06996	1.3
107.04925	1.5
109.02876	0.6
115.25116	0.4
121.02935	0.6
123.04477	0.5
123.08086	2.5
125.05981	0.9
126.37577	0.4
133.02890	2.4
133.06529	0.6
135.04430	1.0
149.02443	1.3
149.06004	0.7
161.02386	3.5
161.09673	1.4
175.03966	0.7
177.09102	1.0
187.07535	0.5
201.09193	0.5
202.02559	0.6
203.07104	1.1
205.08742	2.0
213.12785	0.6
215.03500	1.1
227.03462	2.4
245.08287	1.1
257.11884	1.8
267.06665	1.1
269.08102	0.6
275.12949	13.7
276.13394	0.8
279.06601	0.9
281.04678	1.4
295.06204	3.2
296.06989	0.9
303.12521	2.1
309.04117	0.7
321.04391	0.5
323.05688	3.7
324.06302	0.7
328.05930	1.4
335.05676	1.9
336.06223	0.8
351.12393	0.6
365.10281	1.3
367.11993	3.3
368.11993	0.6
377.10461	2.5
378.11139	1.0
379.07458	0.7
379.11975	9.9
380.12137	1.7
419.15164	2.9
420.15720	1.2
437.16141	100.0
438.16483	13.0
460.75879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.1
62.99121	0.5
63.67136	0.5
65.00208	0.7
65.29894	0.5
70.15696	0.5
71.52427	0.8
79.61120	0.5
82.55304	0.6
89.02348	0.6
92.36482	0.5
93.03351	0.6
95.04899	0.6
107.04948	0.6
109.02848	2.0
109.06482	1.0
133.02878	3.2
133.06525	1.7
135.04465	1.1
149.02344	1.6
161.02393	0.8
169.58443	0.5
171.10143	0.8
173.06017	0.6
175.03957	0.7
177.01860	0.6
185.05920	0.9
189.01932	0.7
189.09088	1.0
201.01953	3.2
201.05649	0.6
203.03543	0.6
205.12325	1.1
217.12436	0.5
219.64246	0.5
229.05008	1.2
229.12410	1.1
235.13420	1.2
241.05055	0.8
243.06744	0.7
253.08592	0.5
267.06689	0.6
271.10025	0.6
273.11472	0.8
281.04422	1.4
282.05203	0.7
285.04153	0.7
291.06638	0.6
295.06097	1.6
296.06973	0.7
303.12482	2.1
307.06232	7.7
308.06754	0.6
309.04184	1.0
323.05838	1.8
328.05887	0.7
331.09833	1.2
333.07828	0.7
335.09229	1.8
337.07175	0.8
337.10907	6.8
349.10928	6.3
350.11362	0.9
351.08798	1.1
363.09000	0.8
365.10229	1.5
366.11136	0.8
367.11920	5.3
368.12573	0.7
377.10330	1.1
389.13718	0.7
398.10095	1.9
405.13687	1.4
407.15054	5.6
409.16946	0.6
419.15356	2.7
422.13818	0.6
437.16150	100.0
438.16565	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.7
61.56109	0.7
65.03853	1.3
65.78575	1.0
69.92854	4.7
71.06056	0.9
71.22838	0.8
71.56011	0.8
78.22803	0.9
79.05413	2.2
83.01286	7.9
85.91073	0.8
90.75311	0.9
94.87750	0.9
95.04943	2.5
97.02856	0.9
98.19853	0.9
105.07001	8.5
107.04942	10.2
109.02860	3.1
119.08558	2.0
121.02797	1.0
121.06490	3.2
123.04451	1.8
123.08095	11.7
125.06025	4.4
133.02864	3.3
133.06526	1.8
135.04402	1.4
137.02414	1.0
137.05992	1.0
145.06473	1.2
146.07419	1.0
149.02419	4.3
149.06001	5.7
161.02397	22.0
161.06006	1.6
161.09677	8.8
162.06738	2.2
163.07567	2.3
167.07082	2.1
175.03983	3.6
175.07570	1.0
177.09138	1.6
185.66254	0.9
189.12753	1.0
190.06281	2.1
191.07091	1.0
201.12816	2.4
203.07111	5.7
203.10890	1.1
204.07889	1.9
205.08669	13.0
211.11337	1.2
213.12822	1.9
217.12425	1.1
231.13953	6.4
240.93036	0.9
245.11983	4.2
257.11880	13.6
275.12949	98.4
276.13293	7.8
353.10315	1.2
364.81055	1.0
407.15088	1.2
419.15067	1.4
437.16104	100.0
438.16437	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	437.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01290	0.4
62.06988	0.4
69.67805	2.6
80.56963	0.4
93.03333	0.4
98.20487	0.7
109.02862	0.5
117.42973	0.4
119.04937	1.0
123.04348	0.5
132.02119	0.7
133.02873	3.0
135.04414	1.8
143.63319	0.5
159.04482	0.5
161.02403	4.1
185.06027	0.4
187.07658	1.0
205.08629	0.4
209.09782	0.4
216.83292	0.4
223.07590	2.7
224.08125	0.6
225.05617	0.7
230.73103	0.4
237.05498	1.1
238.06351	0.7
239.07112	0.9
241.08870	0.5
251.07097	2.3
252.07936	1.0
253.05190	1.3
253.08482	0.7
267.06677	5.7
268.07422	4.3
269.08148	0.6
271.56027	0.4
278.05884	0.7
279.06790	1.0
281.04623	8.3
282.04984	0.7
295.06165	18.5
296.03775	0.4
296.06876	9.5
297.07709	31.4
298.07986	2.5
300.06436	0.6
314.06061	0.4
323.05576	0.9
328.05954	12.1
329.06250	0.9
347.09299	0.6
349.10834	6.2
350.11093	0.6
365.10217	0.5
366.11172	3.6
367.11899	7.6
379.12054	0.8
398.10144	12.4
399.10541	0.6
419.15179	2.2
437.16132	100.0
438.16446	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
59.31034	0.2
61.62852	0.2
65.00227	0.3
68.99712	0.3
79.01772	1.2
79.05402	0.3
107.04907	0.3
108.02074	0.6
109.02851	1.1
109.06490	1.0
121.02852	0.7
122.03662	0.6
123.04429	0.7
124.90723	0.2
125.05931	0.2
133.02888	3.6
133.06512	1.1
134.03242	0.2
135.04454	0.2
136.01601	0.9
139.43199	0.2
145.02899	1.5
147.00786	0.4
147.04440	0.7
148.01599	1.0
149.02374	3.9
149.06082	0.2
150.03152	0.9
151.00330	0.5
159.04488	0.3
161.02380	2.9
161.05954	0.4
162.03169	0.7
163.00298	0.5
164.01155	0.4
165.09171	4.2
166.09601	0.3
173.02379	0.3
173.06038	0.8
175.03961	1.4
175.07588	0.7
176.08453	1.4
177.01875	2.9
177.09219	0.2
178.02655	0.5
185.06017	0.6
187.04005	1.1
187.07607	0.6
189.01910	7.8
189.05470	0.9
189.09169	0.9
190.02493	1.1
199.04002	0.4
201.01926	2.4
202.06256	0.3
203.03418	0.5
203.07114	1.6
204.07925	1.2
205.08707	0.6
207.02977	0.5
209.06004	0.3
211.04155	0.2
212.04793	0.4
213.05553	1.7
214.10004	0.3
217.05136	0.7
225.05556	0.6
226.06328	0.6
229.05127	0.5
229.26651	0.3
230.05917	0.5
231.06702	1.3
232.07281	0.4
233.08217	1.7
235.07481	0.3
235.13260	0.5
251.07256	0.6
253.05231	1.3
254.05888	1.2
255.06590	0.5
267.06693	0.5
267.10333	1.2
267.13840	0.3
268.07291	0.2
269.04602	0.6
270.05423	0.4
279.06558	1.8
279.13687	0.4
280.07394	0.3
281.04633	1.0
283.06067	0.7
285.11438	0.7
295.06067	1.4
295.13293	0.5
297.04156	2.6
298.04889	4.6
299.05258	0.6
307.09747	0.4
308.10690	0.4
311.05670	3.7
312.06351	1.1
323.05673	18.5
323.12460	1.3
324.05997	2.0
333.07541	0.2
339.12540	0.5
344.05493	0.6
349.10629	0.4
351.08887	1.6
365.10022	1.2
366.11179	2.5
367.11920	12.3
368.12540	1.3
398.10214	1.8
419.15057	3.0
437.16138	100.0
438.16486	14.7
457.88171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.3
60.44631	0.3
65.00201	0.7
70.12884	0.5
70.13270	0.5
73.62877	0.3
79.01781	0.7
79.24787	0.2
81.52924	0.3
107.04911	0.4
109.02855	0.7
109.06522	0.3
121.02928	0.7
122.03602	0.5
123.00775	0.3
123.04399	0.4
125.06036	0.6
133.02893	1.8
133.06528	1.1
135.04407	0.6
136.01558	0.4
145.02931	0.6
147.04427	0.3
148.01595	0.9
149.02379	3.3
150.03055	0.3
151.00285	0.5
151.03925	0.8
159.04320	0.3
161.02379	1.2
161.09618	0.4
163.03912	0.4
165.09190	2.2
172.05255	0.4
173.05988	0.4
174.03171	0.5
175.03949	0.9
176.08339	0.4
177.01852	1.2
177.09161	0.3
181.67970	0.3
185.06013	0.4
187.03951	0.9
187.07617	0.3
189.01912	3.1
189.05515	0.4
189.09137	0.6
190.02602	1.0
199.04002	0.5
201.01901	1.3
203.03421	0.5
203.07138	0.8
204.07927	0.6
205.08777	0.8
206.09369	0.6
209.06133	0.3
213.05582	1.9
215.03496	0.7
217.08722	0.4
225.05621	0.7
229.04991	0.4
230.05933	0.6
231.06606	0.6
232.07382	0.4
233.08228	1.9
253.05156	0.7
254.05902	0.8
259.13617	0.4
267.06638	0.6
267.10281	0.6
269.04614	0.4
279.06677	1.0
281.04517	0.3
283.06244	0.9
284.06671	0.4
285.11423	0.6
295.06168	1.5
297.04129	2.3
298.04883	2.0
308.10492	0.4
311.05652	3.2
312.06430	1.5
323.05655	13.7
323.12811	0.5
324.06058	1.7
339.12418	0.9
340.13187	0.7
344.05371	2.1
351.08658	1.6
365.10364	1.4
366.11032	2.5
367.11920	21.3
368.12201	2.7
398.10245	3.4
399.10251	0.4
419.15182	3.3
420.15631	0.4
437.16135	100.0
438.16434	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.9
59.32438	0.7
69.25061	3.0
69.25485	4.4
71.01244	1.0
78.95778	0.6
80.30252	0.6
83.01279	1.0
85.76818	0.7
93.03329	0.7
117.03350	1.9
119.04930	1.2
121.02829	0.7
123.04503	1.0
133.02890	1.8
135.04465	2.1
161.90129	0.7
189.09169	0.7
225.01834	0.7
237.05608	1.2
239.97623	0.7
241.05008	0.9
243.06630	1.3
251.07155	1.4
253.05179	1.4
263.07315	0.9
267.06796	0.8
268.07584	0.8
277.04913	0.9
281.04507	1.7
281.46124	0.8
282.05444	1.1
293.04675	2.4
295.06192	2.4
296.07056	1.8
307.06238	5.4
307.09543	1.1
308.06964	0.7
323.05597	1.2
328.05997	2.7
333.07852	0.9
335.05609	0.8
336.10141	1.0
337.10788	3.7
338.04446	2.0
345.07797	1.3
346.08521	1.3
349.10941	1.7
351.12418	5.4
360.10037	1.4
361.10898	55.9
362.11246	5.8
363.08676	1.2
365.10342	13.9
366.10754	1.7
376.09631	2.3
379.11938	22.9
380.12323	2.7
391.15677	2.5
401.14020	5.1
419.15079	16.9
419.20590	0.9
420.15515	1.7
437.16168	100.0
438.16422	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1459
Annotation	Artonin J
Peak:m/z	Relative Intensity
58.96951	1.3
59.01252	6.7
63.58234	1.4
65.00200	1.6
65.03845	1.8
65.78455	1.6
71.58286	2.5
78.95798	3.0
91.01785	5.2
107.04926	5.7
109.02866	17.8
119.01289	2.3
121.02824	1.6
131.04909	3.0
133.02957	9.1
133.06512	5.1
135.00793	3.1
135.04414	1.7
145.02940	3.5
146.05701	1.5
148.01584	6.7
149.02403	3.7
149.06061	3.0
152.99515	5.7
153.01875	5.1
153.99863	2.2
159.04475	2.8
161.02390	3.9
172.05205	1.6
173.02342	3.2
173.06047	2.3
175.04051	1.9
185.05959	2.6
187.04102	2.1
191.03490	2.1
191.18306	1.8
201.01924	1.8
209.06042	2.2
217.12474	1.7
227.10776	1.7
229.04958	2.3
229.12347	3.5
239.10773	3.0
239.17703	1.5
241.12373	3.9
251.07071	1.7
255.06795	2.2
259.13409	10.2
265.08716	3.0
269.08258	4.2
275.07266	2.0
283.09869	4.6
285.11334	13.6
293.08206	4.4
297.11414	6.5
299.12982	6.8
338.08026	11.4
361.14523	1.7
375.12314	1.8
389.14005	35.4
390.14322	5.2
391.15616	13.6
392.15948	2.7
403.12048	4.3
407.15079	15.4
408.15442	2.9
417.13519	100.0
418.13995	16.2
435.14542	79.6
435.30481	4.5
435.66965	1.8
436.14966	11.6
450.91898	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	435.1821
Annotation	1'',2''-Dihydro-O-methylcyclopomiferin
Peak:m/z	Relative Intensity
59.01259	2.8
71.52407	1.3
78.95783	1.8
115.09768	0.8
118.71104	0.7
121.02869	1.5
133.02859	1.8
135.04475	1.2
136.55153	0.8
148.01596	2.3
149.02379	1.5
152.99573	1.9
153.99896	0.9
213.01958	1.7
243.06705	1.4
267.06894	0.9
269.08295	2.2
294.05417	1.1
309.11432	1.0
317.08221	1.1
321.11182	1.3
322.04977	2.3
334.05066	1.1
337.07291	1.6
349.10547	1.1
362.08112	1.5
365.10406	9.0
366.10925	1.6
377.10376	53.9
378.10706	7.2
405.13693	1.3
420.15881	22.8
421.16284	2.3
434.33905	0.9
435.18234	100.0
436.18576	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	437.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52693	0.3
50.84309	0.3
70.81674	1.0
79.05546	0.4
83.44503	0.3
91.05035	0.4
91.05562	0.8
93.03535	1.2
107.05054	0.6
109.03040	1.4
114.98270	0.3
117.02663	0.5
117.03562	5.1
119.05134	1.8
121.03004	0.5
123.04607	0.5
125.72869	0.3
132.02310	1.2
133.03084	3.3
135.03574	0.6
135.04642	6.4
136.04892	0.4
149.06160	0.4
161.02538	0.7
167.86313	0.3
173.06001	0.4
173.09879	0.4
175.04112	0.7
185.02542	0.3
187.04272	0.4
187.07687	0.5
189.09378	0.6
191.03697	0.3
191.07417	0.4
197.06210	0.8
199.07825	0.8
202.02921	0.6
202.06377	0.4
203.03563	0.5
203.07314	0.5
209.06285	0.4
213.02119	0.3
213.05682	0.6
214.02750	0.7
215.03525	2.1
215.07208	0.9
216.08080	0.4
217.05231	0.6
217.08694	2.1
224.05023	0.4
225.02126	1.2
227.03751	0.5
227.07320	0.5
229.05054	0.4
231.06926	0.9
237.05696	0.5
239.07329	1.0
241.05232	1.3
241.08798	0.5
243.06805	1.3
245.08025	0.4
249.05588	0.5
251.07272	0.6
253.05267	0.5
255.06834	1.3
256.07550	1.0
257.12079	0.6
261.05792	0.5
262.06409	1.7
263.07126	0.7
264.04343	0.4
267.06851	1.3
268.07770	0.4
271.09967	0.4
271.13754	0.4
272.10663	0.5
275.13083	1.5
277.05133	0.5
278.06027	0.6
279.06531	0.6
281.04645	0.5
283.09827	0.4
285.08054	0.6
289.05197	0.4
290.06082	0.7
293.04666	3.6
294.05502	1.4
295.06485	0.7
296.07004	0.6
301.14655	1.1
305.04633	1.0
305.11908	1.0
306.05264	2.1
307.06104	3.1
308.06805	1.0
308.10623	0.4
311.09427	0.5
315.16220	0.6
317.04727	2.2
317.08255	0.7
317.11588	2.1
318.05161	0.6
318.12430	0.5
319.09915	0.9
321.07687	0.5
321.11111	0.4
323.05664	1.1
325.10941	0.5
331.09894	1.3
333.07645	0.8
333.11313	0.7
334.08356	0.4
335.05560	0.3
336.10114	4.9
337.10645	0.6
338.04465	1.0
339.12558	1.1
340.13190	1.0
343.09946	0.6
345.07858	1.1
346.08566	0.8
347.85587	0.4
349.10785	4.6
350.11530	1.7
351.12347	1.7
352.12625	0.4
357.15399	0.5
360.10025	0.8
361.10889	49.9
362.11255	5.9
363.09277	0.4
378.11053	0.8
379.11951	11.9
380.12283	0.9
401.13968	4.0
402.14337	0.4
419.15057	8.9
420.15421	1.1
437.15967	100.0
438.16324	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	435.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06231	0.6
59.01258	1.7
61.98708	0.8
66.60706	0.5
70.04742	1.9
75.12324	0.5
91.01781	1.1
93.03323	1.4
102.55373	0.5
107.04922	1.5
109.02866	1.2
117.03459	0.6
121.02871	1.6
126.50900	0.5
131.04996	0.6
133.02869	3.3
135.04417	1.8
138.33926	0.6
139.03990	0.7
148.01590	1.3
149.02362	2.2
152.36418	0.5
155.08548	1.1
161.02364	0.6
172.36328	0.5
173.02423	0.6
175.03912	0.7
175.07649	1.3
187.07527	0.6
189.01857	0.6
197.06058	0.8
199.07605	2.2
199.17203	0.6
201.01892	2.9
209.06088	0.6
215.07071	0.7
221.09642	0.8
223.07419	0.5
225.05534	1.4
227.03499	1.2
227.07155	1.0
239.07146	1.7
239.11040	0.6
243.06616	3.5
251.07097	0.8
253.05058	1.6
267.06665	7.9
268.07465	3.6
269.08231	0.9
289.08676	1.0
290.08749	0.6
296.12079	0.6
303.10236	0.9
307.06406	0.5
307.09766	1.5
308.10471	0.9
315.10190	0.6
318.08942	0.7
321.11325	0.8
331.09766	1.8
333.07831	1.0
333.11560	1.4
347.09259	0.6
349.10745	3.7
359.09232	2.0
361.07095	1.3
361.10910	2.9
362.07846	0.7
364.61209	0.6
375.08783	1.5
376.09613	3.7
377.10379	45.5
378.10788	5.2
389.13953	1.3
391.11896	0.6
399.12283	0.7
407.15314	1.0
417.13461	13.5
418.14017	2.1
435.14554	100.0
436.14877	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	435.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
68.94413	0.2
70.13739	0.7
71.93201	0.2
79.01772	0.4
79.05418	0.6
93.03336	0.7
93.19638	0.2
97.53464	0.2
98.19825	0.2
99.82006	0.2
107.04922	0.7
108.02076	0.2
108.75500	0.2
109.02856	0.6
111.63197	0.2
113.08587	0.2
121.02870	1.2
123.04385	0.3
131.04967	0.3
133.02859	1.3
135.04437	0.8
139.03923	0.4
143.08665	0.2
145.02869	0.3
147.00775	0.3
147.04419	0.2
148.01595	3.8
149.02377	2.6
150.03099	0.3
151.04018	0.2
157.06473	0.4
159.08044	0.2
159.85905	0.3
163.07585	0.4
169.06540	0.3
171.08115	0.7
172.05208	0.2
173.02316	0.3
173.06038	0.3
175.03969	0.3
175.07596	0.2
177.01874	0.4
177.22139	0.2
183.08107	0.3
185.06039	0.8
187.03981	0.3
187.07570	1.2
189.05545	0.4
189.09142	0.2
196.05208	0.3
197.06052	0.4
199.03894	0.2
200.04677	0.2
201.01959	0.4
201.05515	0.5
203.06963	0.3
209.06050	0.4
211.07599	0.5
212.04886	0.3
213.05547	1.2
215.03491	1.3
215.07114	0.6
221.09685	0.3
225.05702	0.4
226.02878	0.2
227.03508	0.4
227.07127	1.2
229.05078	2.1
231.06602	0.6
237.05629	1.1
238.06442	0.5
239.07256	1.3
239.10703	0.3
240.04265	0.3
241.05084	2.6
241.08537	0.3
242.05792	0.2
247.11295	0.2
249.05690	0.2
249.09264	0.3
253.05171	0.4
254.05876	0.8
254.15147	0.2
255.06656	8.3
256.07379	3.3
257.04562	0.2
257.08139	0.9
257.11932	0.6
261.09122	0.4
263.07227	0.4
263.10657	0.4
265.05118	0.3
265.08646	0.3
265.92926	0.2
267.06531	0.3
275.07062	0.4
275.10812	0.3
277.05508	0.3
277.08698	0.7
278.09451	0.2
279.06735	0.5
279.10214	0.3
281.04718	0.4
283.09921	0.5
289.08823	0.5
290.09482	0.2
291.07104	0.4
291.10406	1.0
293.04813	0.4
293.08292	0.8
301.08737	0.2
302.09335	0.3
303.06680	0.6
303.10226	0.4
304.07449	0.4
305.08282	0.8
306.05411	0.4
306.08798	0.4
307.06378	0.4
307.09882	1.1
308.10324	0.4
309.04132	0.4
309.11340	0.9
310.04803	0.2
317.08374	0.4
319.09827	2.5
320.07019	0.3
320.10638	0.7
321.04196	0.5
321.07697	1.2
321.11380	0.8
322.04855	0.4
322.08328	0.3
323.05579	2.1
324.06256	0.3
333.07553	0.3
334.08673	0.2
335.05643	0.7
335.09341	1.7
336.10031	0.8
337.10928	3.3
338.11099	0.4
345.07852	0.3
346.08496	0.8
347.09308	3.2
348.06204	0.3
348.09985	0.3
349.07224	2.7
350.07965	1.5
351.09235	0.2
363.04272	0.4
363.08826	7.5
364.09579	15.4
365.10336	14.6
366.10681	1.4
368.08951	0.2
377.10315	0.3
389.14178	0.4
391.11929	0.8
396.08484	1.8
397.08942	0.2
407.15186	1.2
417.13556	2.8
418.13974	0.4
420.12344	0.3
433.12943	0.2
435.14566	100.0
436.14914	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	435.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20060	0.2
53.07114	0.2
57.03337	0.3
59.01258	0.7
61.22776	0.2
61.98716	0.2
64.55796	0.2
67.06966	0.2
69.85812	0.2
71.45431	0.3
79.01788	0.6
79.05423	0.7
93.03357	0.5
103.05423	0.6
107.04934	1.0
111.75284	0.2
113.34058	0.2
121.02856	0.6
123.00801	0.4
123.04424	0.6
125.06026	0.3
131.04980	1.4
133.02881	3.3
135.04456	0.7
145.02846	0.3
147.04474	0.4
148.01590	0.7
149.02409	1.9
149.05939	0.3
151.00279	0.6
151.03986	0.3
157.02910	0.6
157.06578	0.2
159.04439	0.4
161.02312	0.5
163.07640	0.5
173.06050	0.3
175.03960	0.7
177.01872	1.8
185.06087	0.5
187.03963	1.2
187.07625	1.2
189.05592	0.2
199.03996	0.3
199.07623	0.3
201.01912	3.2
201.05406	0.5
202.02367	0.3
202.06238	0.3
203.03487	0.3
203.07170	0.6
209.05957	0.3
213.02019	0.3
213.05501	0.3
213.12846	0.3
214.02765	0.3
215.03520	0.3
225.05513	0.3
227.03540	0.2
229.05064	0.9
230.05788	0.5
231.06595	1.1
237.05562	0.4
239.10846	0.4
241.05119	0.3
243.06474	0.2
246.36081	0.2
249.05595	0.2
253.05035	0.5
255.06686	0.4
257.11862	1.2
264.07755	0.3
265.05023	0.5
265.08682	0.4
267.06790	0.5
268.03757	0.4
269.08014	0.4
275.07220	0.4
277.05377	0.3
277.08463	0.2
279.06683	0.6
281.04608	0.7
281.08298	0.3
283.06210	0.2
283.09775	0.9
289.08774	0.4
291.06845	0.4
291.10471	0.2
293.04785	0.3
293.08414	0.3
295.06204	0.8
297.04037	0.6
298.04758	0.3
301.11017	1.0
305.04636	0.3
305.08347	0.6
307.09930	0.3
309.04227	2.2
309.07544	0.3
310.04865	0.3
311.05737	0.8
312.06387	0.4
318.08975	0.3
319.06250	0.4
319.09802	0.6
320.06790	0.3
320.10266	0.3
321.04330	0.3
321.07715	1.2
321.11407	0.7
322.08334	0.3
323.05652	5.3
323.09406	0.4
324.05939	0.5
333.07736	0.4
335.05621	1.6
335.09406	0.7
336.06262	0.2
336.10010	0.9
337.07217	0.5
337.10812	0.6
344.05423	0.5
349.07193	0.7
349.10593	0.5
351.08994	0.7
352.09476	0.4
354.04010	0.3
362.08322	0.3
363.08823	3.0
364.09372	1.3
365.10242	2.3
366.10995	0.5
373.14563	0.2
377.10446	4.4
378.11053	1.1
379.15604	0.7
384.08633	0.3
389.14374	0.4
391.11667	0.5
392.12878	0.3
396.08478	0.3
398.10062	0.9
405.13358	0.3
407.15082	9.4
408.15683	1.5
417.13461	1.4
418.13528	0.3
420.12173	0.8
435.14569	100.0
436.14899	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	435.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	3.4
69.70699	5.1
76.34631	0.7
86.66766	0.7
93.03344	0.8
107.04911	2.2
117.03362	2.6
121.02846	1.5
132.02074	1.1
133.02873	4.7
135.04419	2.1
139.03938	1.1
145.02911	0.9
147.04434	0.8
149.02341	2.0
157.06448	1.2
169.06519	0.9
178.40884	0.8
181.06554	1.1
185.05855	0.7
197.05995	2.5
198.06760	0.9
199.07599	3.4
209.06143	0.7
211.07632	1.0
215.07111	2.0
225.01967	1.4
225.05449	2.3
227.03578	1.3
237.05690	0.8
238.06348	1.1
239.07179	1.0
240.07950	0.9
241.05089	4.2
243.06641	1.2
249.05707	0.7
251.07120	1.4
253.04999	2.6
255.06702	1.7
265.05005	1.5
267.06741	3.9
268.07327	2.7
273.09039	0.8
281.04510	1.4
283.05981	0.8
287.07248	0.9
293.04449	0.9
294.05389	1.5
295.06223	4.7
296.06921	2.2
301.11151	0.8
307.06250	0.9
308.13812	0.7
315.06616	0.9
316.07480	1.3
317.08105	3.0
322.04865	1.2
331.09775	3.9
333.07587	1.3
333.11053	1.4
335.09146	2.4
337.10867	1.0
341.08170	2.5
347.09360	1.0
348.09518	0.8
349.10843	3.1
359.09320	46.6
360.09763	5.7
361.10880	5.7
363.08774	1.0
376.09488	1.5
377.10379	32.4
378.10657	3.8
389.14471	1.2
402.11072	2.7
417.07962	0.9
417.13522	19.7
418.13815	2.3
435.14441	100.0
435.34726	2.5
436.14883	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	435.1308
Annotation	Licoagroside F
Peak:m/z	Relative Intensity
57.03318	0.9
59.01269	8.0
65.03844	3.5
67.01758	2.2
68.96163	0.6
70.74862	0.5
71.01274	4.4
72.99188	1.2
73.02820	1.1
75.00773	0.9
79.05408	2.0
81.03320	2.3
83.01282	1.1
85.02833	2.0
87.00760	0.8
87.04390	0.7
89.02361	1.0
91.01762	1.1
93.03351	4.2
95.01270	1.0
99.04385	0.8
101.02312	2.1
102.42564	0.5
103.00203	0.5
107.01295	1.2
107.04914	1.9
108.02093	3.1
109.02862	42.9
110.03171	1.0
113.02351	1.3
119.04942	5.0
120.05298	1.1
121.02872	9.8
122.03665	5.1
123.00761	2.5
123.04452	10.6
124.01585	0.9
125.01371	0.7
125.02348	3.2
133.02859	1.9
134.03635	1.9
135.00812	2.2
135.04445	7.2
136.01572	2.5
137.02379	26.3
138.02745	0.9
138.44705	0.6
139.03976	0.9
145.02863	1.7
146.03641	1.3
146.23096	0.7
148.01599	26.8
149.02390	33.0
150.02823	1.2
151.00313	1.2
151.03931	2.1
153.01836	2.6
161.02377	3.7
161.04549	0.7
162.03137	1.0
163.03947	12.6
165.00497	1.1
165.01877	16.3
166.02583	1.8
167.03452	79.5
168.03786	2.3
171.10231	2.1
175.28761	0.6
179.03442	0.9
185.06018	0.8
189.49150	0.6
193.01239	0.7
211.07660	1.4
225.07564	0.9
226.06310	2.2
227.07147	10.9
228.07489	1.0
229.08730	7.6
237.05554	0.9
240.04347	0.7
243.38957	0.6
254.05872	1.2
255.06665	21.7
256.07007	1.0
257.04529	0.6
257.14175	0.7
272.06775	0.7
273.07745	87.2
274.08072	5.6
285.25122	0.6
299.07770	0.8
313.07236	1.5
314.07562	1.5
315.07932	3.8
319.17749	0.7
345.08820	1.1
345.14615	0.7
417.12003	2.6
417.24979	1.0
435.13086	100.0
435.25464	6.8
436.07846	1.1
436.13446	9.9
436.19043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2369
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.22179	0.2
59.01261	1.0
62.96300	0.2
69.73804	1.1
78.95795	53.1
96.96864	6.7
98.20563	0.2
150.97981	2.0
152.99529	100.0
153.99889	1.6
171.00609	4.2
183.09807	0.2
264.40054	0.2
279.23355	0.9
294.77444	0.2
373.18881	0.3
433.23691	9.3
433.28949	0.4
434.23853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2367
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01267	5.2
63.07718	0.4
63.10498	0.4
69.60886	2.9
78.95795	66.6
85.96394	0.5
89.02351	0.5
96.96855	5.3
98.20554	0.5
149.06042	1.0
150.97952	1.7
152.99527	100.0
153.99896	1.4
171.00603	2.5
178.17145	0.4
243.71744	0.5
279.23383	1.5
433.23721	14.7
433.28818	0.7
433.33640	1.5
434.24194	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3334
Annotation	(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
59.01265	2.2
70.00240	1.6
70.00631	1.7
70.63761	0.7
78.95791	1.6
89.86848	0.7
98.19823	1.1
98.97076	0.7
120.00703	0.6
125.06013	0.9
138.06792	1.7
145.62178	0.8
148.43208	0.7
152.99574	3.5
170.05817	8.4
177.09198	1.5
178.09985	0.7
184.89648	0.7
295.26480	3.1
345.44714	0.8
389.34335	0.8
415.32318	11.3
416.32507	1.7
433.33331	100.0
434.33633	14.4
438.70673	0.8
440.87793	0.8
441.75458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75539	0.2
57.03342	1.3
58.00465	0.2
59.01263	100.0
60.01601	0.6
61.98717	1.9
63.02280	0.4
65.00214	1.5
68.91807	0.2
69.03352	0.4
71.01271	6.0
71.04907	0.4
72.99213	0.6
73.02831	3.4
75.00751	0.3
81.03353	0.3
81.06984	0.4
83.01273	2.0
83.04932	0.4
85.02840	2.2
85.06484	0.3
85.99985	0.7
87.00774	1.2
87.04411	0.3
89.02335	4.9
93.03356	1.9
95.01314	0.5
97.02886	0.3
97.06522	0.3
98.19841	0.5
99.00774	0.5
101.02345	6.3
101.03014	0.4
101.06023	0.3
102.69341	0.2
107.01300	2.8
107.01984	0.3
108.02115	0.3
109.06502	0.2
113.02349	3.8
119.03466	2.4
119.04937	8.7
120.05299	0.3
121.02879	0.5
125.02348	1.1
131.03470	0.5
136.01579	0.2
137.02414	0.2
139.03912	0.2
143.03450	1.0
143.10780	0.4
145.02885	0.4
149.04509	0.8
151.00307	11.1
152.00713	0.4
159.02911	0.4
159.06520	1.0
161.04483	3.3
163.03867	0.3
164.01059	0.2
165.01877	0.5
167.76659	0.2
169.01387	0.6
174.80989	0.2
175.00310	0.5
177.01929	1.2
179.05563	1.7
184.17155	0.2
193.01430	0.3
197.11774	0.5
203.05621	0.4
211.13530	0.2
221.06685	0.4
249.09825	0.6
263.85684	0.2
271.06174	24.3
272.06567	2.0
291.11044	0.6
295.06088	0.3
313.07254	0.4
313.16644	2.3
331.17642	2.0
355.17520	1.0
355.25034	0.3
373.18719	1.7
373.26221	0.4
389.29190	0.2
415.27448	0.2
433.11420	0.7
433.28198	7.3
434.28311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61092	3.7
59.01266	68.6
61.98721	9.7
62.64581	5.0
63.93580	3.7
71.01269	37.2
72.99200	5.1
73.02830	13.1
75.00752	6.9
77.85754	3.8
83.01266	10.5
83.38800	4.2
85.02847	14.4
87.00756	7.8
88.17361	6.0
89.02319	23.0
93.03394	5.7
95.01302	8.4
97.02846	8.3
98.19780	9.6
99.00781	7.9
99.04454	4.7
101.02346	27.4
107.01303	6.2
109.02888	10.2
111.00807	6.9
111.04408	4.6
113.02356	23.6
118.40016	4.9
119.04965	7.6
123.00780	5.2
123.04458	18.2
124.01566	7.7
125.02361	18.5
135.04465	7.9
137.02377	12.9
139.03940	21.8
146.10782	4.3
151.00252	12.9
151.03951	11.7
153.01846	18.3
154.02631	5.5
161.04495	21.5
165.01935	9.5
167.03452	27.5
168.04326	7.9
169.74400	4.6
177.01852	15.8
178.99817	11.7
179.03436	10.9
179.05585	8.0
180.00522	6.8
181.01404	14.0
182.02200	7.0
193.01421	9.2
195.02969	21.8
207.02995	5.7
211.02521	13.8
223.02492	47.6
224.03319	7.7
235.02448	6.9
237.04089	5.7
241.65819	5.5
243.06625	8.1
253.03430	7.7
271.06161	19.3
313.05887	27.8
314.05936	5.9
343.06793	25.0
344.07635	7.0
387.20328	7.6
390.86118	5.9
433.09979	100.0
433.15845	5.9
433.20160	10.3
433.25095	9.7
434.10538	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01040	2.1
59.01364	9.1
61.98820	1.7
62.49940	0.6
71.00960	1.4
71.01392	6.1
72.99294	0.9
73.02586	0.7
73.02948	2.1
75.00872	1.2
80.05078	3.5
83.01373	1.4
85.02985	2.7
87.00862	1.1
94.02984	0.8
94.06662	6.7
95.01385	0.8
96.00937	0.7
96.08238	2.2
97.01064	0.9
97.01723	3.6
98.19774	1.2
99.00880	1.3
101.01308	0.6
101.02495	5.1
104.05049	1.2
106.03022	1.0
106.06673	3.2
108.04612	2.2
109.01710	0.8
109.02989	1.8
109.04703	0.6
109.05385	2.0
110.06131	1.1
111.22953	0.6
113.02510	2.1
119.05081	0.8
120.04472	6.3
121.05374	1.4
122.05231	1.3
122.06037	25.0
123.04516	1.1
123.06931	0.8
124.04053	1.3
124.06757	1.8
124.07601	29.8
125.02528	1.3
125.08086	1.1
134.06184	0.6
136.03973	10.7
136.07747	0.6
138.05664	1.8
140.07083	3.0
140.23587	0.6
148.02896	2.2
148.03979	52.9
149.04498	1.5
149.08543	0.8
150.05554	11.8
151.00551	0.7
151.06058	0.7
152.03569	0.6
152.07269	1.6
161.04568	1.4
166.05049	14.4
167.05544	0.9
168.06628	12.2
178.12462	0.9
194.04546	4.0
199.12523	1.0
210.04185	2.7
213.06845	0.9
215.08383	0.9
215.11932	1.1
225.70139	0.6
227.08539	0.8
228.09126	0.7
229.13640	0.7
231.11362	5.8
241.09912	1.5
243.11409	3.9
245.13132	0.9
255.11484	2.6
259.10959	1.0
271.06155	2.0
273.12509	34.3
274.12955	2.5
290.12799	1.1
291.13580	36.4
292.14050	3.6
317.11462	12.1
318.11755	1.3
334.11700	3.3
335.12558	100.0
336.12811	9.9
352.09506	0.6
389.20883	7.6
390.21326	0.9
412.21176	5.1
412.71121	1.7
433.14743	1.1
433.20096	22.4
433.71887	3.5
434.20432	3.4
439.32138	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	433.199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17179	0.5
57.03418	0.7
59.01049	2.3
59.01382	6.2
61.98829	1.6
71.01415	3.4
72.99302	1.0
73.02933	1.1
80.04592	0.9
80.05093	4.5
83.01403	0.9
83.05025	0.5
85.02997	2.0
87.00864	0.6
92.05109	0.6
94.06681	6.1
95.01398	0.6
95.03801	0.9
96.00936	1.2
96.08250	2.3
97.01758	3.6
98.06145	1.0
99.00887	0.9
100.04086	0.6
101.02511	2.9
104.05106	1.3
106.03064	1.9
106.05948	0.9
106.06705	3.3
108.04638	2.3
109.01704	0.9
109.02989	1.4
109.05399	2.7
110.02515	0.8
110.06145	0.9
110.92313	0.5
113.02499	1.0
120.04649	5.8
121.05399	2.1
122.05229	2.1
122.06207	27.6
123.04556	1.1
123.06944	1.3
124.04069	1.2
124.06780	2.2
124.07773	29.6
126.05608	0.8
136.03047	0.7
136.03967	10.9
136.07736	1.2
138.05663	1.2
140.07283	2.3
148.02330	1.8
148.03981	57.3
149.04686	2.4
150.05544	13.8
151.06004	0.6
152.03613	1.3
152.07269	1.7
161.02606	0.6
161.04680	1.2
164.07133	0.9
166.05051	15.2
167.05516	0.8
168.06606	13.5
169.24725	0.5
178.12521	1.8
186.73642	0.5
194.04597	4.7
199.12437	0.7
201.07124	0.6
205.37625	0.5
210.03995	3.2
213.06868	0.7
214.07417	0.7
214.99495	0.5
215.08395	1.3
215.12039	1.9
227.08308	0.9
228.09085	1.4
229.13573	1.1
230.10689	1.5
231.11388	5.9
234.11449	0.6
241.10005	2.2
243.11484	4.0
245.13000	0.7
246.11433	0.7
253.08858	0.8
254.06938	0.7
255.11504	2.3
259.10974	1.3
271.06287	1.4
273.12506	36.5
274.12985	2.5
275.10391	0.8
290.12939	1.0
291.13571	37.1
292.14056	2.2
317.11508	11.0
317.15195	0.7
318.11813	0.7
334.11737	4.0
335.12555	100.0
336.12906	9.0
389.20853	7.7
412.21124	3.1
412.70996	2.0
431.88495	0.6
433.14893	1.0
433.19919	21.4
433.27194	1.2
433.71652	2.1
434.20364	3.1
439.31976	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.0
59.01265	100.0
60.01600	1.2
60.05577	0.4
61.98717	0.7
69.22507	5.3
71.01271	3.4
71.20406	0.4
71.25949	0.4
73.02836	0.7
83.01282	1.0
85.02876	0.8
87.00788	0.9
89.02361	1.5
97.02895	0.8
98.20545	1.0
99.00785	0.5
99.04433	1.4
101.02349	3.2
113.02380	1.7
119.04956	0.7
125.02394	2.0
127.03946	0.8
137.02397	1.6
139.04042	0.4
139.07478	0.5
142.55901	0.4
161.04509	3.7
164.01109	1.4
167.10788	0.5
179.05679	0.9
181.05008	2.7
194.81516	0.4
196.07407	4.7
209.83340	0.5
211.09760	9.2
243.06685	0.6
253.05180	1.8
271.06195	2.2
271.09488	0.5
273.07880	0.8
280.95078	0.5
324.29303	0.4
373.15347	1.6
433.17126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1303
Annotation	Haplopappin
Peak:m/z	Relative Intensity
59.01263	2.2
61.98713	0.4
62.16419	0.2
65.03815	0.3
65.91934	0.3
67.01785	0.5
69.54897	0.8
69.55314	1.1
71.01283	0.3
71.04891	0.3
72.52189	0.2
78.95768	0.3
93.03330	0.6
98.20499	0.3
107.04919	0.5
109.02838	1.8
116.92775	3.2
116.97162	0.5
117.01859	0.6
121.02858	1.3
121.31926	0.2
123.04416	0.6
124.01545	0.3
129.87177	0.3
133.02896	1.8
135.04489	0.4
139.03925	0.8
147.04454	0.3
148.01611	2.6
149.02435	1.4
150.03156	1.6
151.00362	0.3
151.03915	0.5
152.99469	0.5
155.08562	0.3
156.89413	0.3
157.06544	0.5
173.05896	0.4
177.01831	0.7
181.06586	0.4
197.06020	2.2
197.09714	0.4
199.03978	0.7
199.07634	4.0
210.06776	0.3
211.07632	0.7
222.06717	0.3
223.07585	0.8
225.05515	1.1
225.09161	0.5
227.03519	0.3
227.07100	0.3
237.05632	1.4
237.09135	0.4
238.06331	0.9
239.03520	0.5
239.07103	2.2
240.07790	0.6
241.05138	1.4
241.08659	1.4
243.02982	0.3
244.78542	0.3
249.09106	0.3
251.03462	0.3
252.04192	0.4
253.05173	0.3
253.08717	0.5
255.06715	0.8
255.10167	1.2
263.07101	0.3
264.04453	0.3
265.05075	0.8
266.05780	0.7
267.06775	2.7
268.07080	0.3
271.06351	0.4
280.07428	0.9
281.08273	1.3
286.09909	0.3
287.07254	0.3
288.07913	0.4
289.05270	0.3
289.08691	0.3
290.05704	0.3
291.06833	0.3
302.09442	0.3
303.06894	0.4
303.10318	0.6
305.08234	0.5
306.05341	0.4
309.04196	0.3
309.07629	0.6
311.16730	0.3
312.08231	0.4
315.06717	1.1
316.07413	0.8
317.08176	0.6
319.09851	1.6
319.92038	0.4
320.03336	0.3
329.08090	0.8
331.06360	0.6
331.09659	1.5
332.06967	0.6
333.07767	0.5
335.05563	0.6
345.07751	0.4
346.08582	0.7
347.09402	2.2
349.07162	0.9
350.07935	2.0
351.16843	0.3
357.07816	1.1
358.08453	0.4
359.09106	0.5
360.06305	0.3
363.08838	0.4
364.09705	0.6
373.11249	0.4
374.07870	1.3
375.08817	23.9
376.09409	4.2
377.83917	0.3
389.10373	1.1
390.11258	0.4
391.11905	2.3
392.12506	0.3
400.09811	0.4
400.56696	0.3
401.10449	0.5
403.08295	0.4
405.13425	1.5
415.11893	0.3
417.10004	0.9
418.10660	26.8
419.11029	2.7
432.32242	1.9
433.12982	100.0
434.13345	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	433.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	6.3
61.14590	0.5
61.98712	1.3
62.56678	0.5
64.44633	0.5
73.02802	0.5
78.95792	10.8
93.03335	0.8
96.96855	1.5
102.80518	0.5
105.38528	0.5
109.02856	0.9
113.02327	0.7
120.89338	0.5
121.02914	0.8
133.02869	2.0
148.01619	2.0
149.02321	1.4
150.03171	6.6
152.99521	18.9
153.99855	1.5
154.99902	1.3
171.00571	0.9
183.08142	0.6
184.84380	0.6
197.06079	1.0
199.07726	0.8
211.07640	2.1
213.05544	0.7
223.07564	1.2
225.05556	4.3
239.07161	2.4
240.07884	1.2
241.05086	0.9
241.08710	5.0
243.06636	0.7
256.07547	0.9
265.05121	0.8
267.06705	4.8
268.07336	2.0
287.10687	0.8
303.10248	0.6
316.07571	0.9
317.08249	0.9
318.47147	0.7
319.05954	0.6
319.09787	1.1
329.08292	0.8
331.09885	2.4
333.07809	1.6
346.08426	1.0
347.09280	2.5
357.07681	1.2
361.07184	2.8
362.07809	0.8
374.08057	1.2
375.04099	1.4
375.08792	20.9
376.09406	7.4
377.09964	0.8
391.11923	3.3
400.09592	1.8
404.98041	0.6
415.12064	0.7
417.09811	1.5
418.10629	14.2
419.10953	1.7
432.31796	1.7
433.12967	100.0
433.29214	2.1
434.13245	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	433.1301
Annotation	Kraussianone 4
Peak:m/z	Relative Intensity
51.04056	0.4
52.32191	0.4
59.01265	3.2
65.62558	0.4
67.01752	0.3
71.00014	0.7
71.04469	0.3
73.32644	0.3
93.03327	0.5
96.56619	0.3
109.02845	1.5
112.30203	0.3
121.02848	1.6
133.02859	1.2
139.03937	0.4
148.01582	2.2
149.02336	1.0
150.03145	1.4
155.08611	0.4
157.06488	0.5
177.01828	0.3
181.06602	0.5
182.22818	0.4
195.08052	0.4
197.06082	2.5
199.03882	0.4
199.07648	3.5
209.01300	0.3
211.07623	0.8
213.05283	0.4
223.07649	0.9
225.05663	0.6
237.05540	0.9
238.06319	0.7
239.03522	0.8
239.07156	1.8
240.07707	0.4
241.04985	1.1
241.08737	1.2
249.05542	0.4
251.03500	0.4
253.05045	0.5
265.05109	0.6
266.05911	0.4
267.06671	2.9
268.06961	0.4
271.06015	0.4
280.07443	0.4
281.08160	1.0
288.07935	0.7
289.08868	0.5
303.06808	0.4
303.10233	0.6
309.07739	0.7
315.06906	0.5
315.10257	0.4
316.07285	0.7
317.08151	0.7
319.09814	1.5
329.08243	1.0
330.08844	0.6
331.09918	1.9
332.06824	0.4
333.07718	0.5
347.09274	5.2
348.09726	0.7
357.07733	1.4
359.09286	1.2
361.11014	0.7
373.10938	0.5
374.07703	0.8
374.11884	0.5
375.08795	24.7
376.09363	4.7
389.10406	1.3
390.11084	1.7
391.11871	2.1
395.11407	0.7
401.10251	0.6
402.11194	2.4
403.11731	1.3
417.09845	0.4
418.10675	27.6
419.11063	4.1
433.12985	100.0
434.13345	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	433.115
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.11509	0.1
57.03345	0.4
59.01261	3.9
61.98704	0.6
63.02281	1.9
63.13878	0.2
65.00204	4.5
65.99732	0.2
68.17271	0.1
69.39183	1.6
71.01265	0.7
73.02840	0.7
79.53441	0.2
81.03365	0.2
83.01276	3.3
85.02803	0.2
86.61800	0.2
87.00739	0.3
89.02322	0.3
91.03912	1.3
92.73446	0.2
93.03357	6.1
93.35683	0.1
94.03696	0.2
97.02856	0.3
97.06503	0.3
101.02347	0.3
107.01292	9.8
108.02094	0.6
109.02829	0.3
109.89858	0.2
113.02396	0.2
117.03354	0.2
119.04942	31.8
119.85271	0.2
120.05266	1.1
121.02837	0.2
121.45501	0.2
123.04359	0.2
125.02361	1.0
131.01320	0.5
132.45981	0.1
135.00729	0.2
136.01613	0.4
137.02380	0.4
141.12750	0.3
143.04903	0.2
145.02872	0.6
149.02364	0.3
151.00304	35.6
152.00624	1.1
161.02405	0.2
161.04593	0.2
161.06044	0.3
164.01077	0.5
165.01904	1.9
169.01369	2.3
175.00354	1.4
177.01880	4.5
185.05966	0.4
187.03963	0.5
193.01396	0.9
196.00127	0.2
225.05728	0.2
227.07193	0.6
229.05087	0.3
240.04431	0.3
241.04849	0.2
255.06673	0.3
256.07306	0.3
269.21179	0.6
271.06168	100.0
272.06519	7.0
285.20868	0.3
287.22336	19.5
288.22684	1.0
295.06210	1.4
313.07303	1.6
315.21692	0.2
387.27591	0.3
415.27505	0.3
432.27020	0.2
433.11151	1.0
433.28180	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	433.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94738	0.5
55.01725	0.7
57.03283	1.2
58.00445	0.8
59.01205	25.1
59.01533	2.0
61.98680	0.7
62.80886	0.5
63.02219	0.8
65.00214	3.9
69.03301	1.4
70.17252	1.0
70.17648	2.3
71.01273	17.8
71.01624	0.8
72.99136	2.4
73.02834	3.8
74.94435	0.6
75.00700	2.1
78.92981	0.6
81.03347	3.4
83.01263	5.3
83.04863	0.7
83.24215	0.6
85.02837	6.1
87.00737	1.2
87.04368	1.5
89.02337	16.1
93.03362	5.3
95.01282	2.8
95.04874	0.9
97.02844	4.5
99.00688	2.1
99.04385	0.7
101.02343	12.4
103.03958	0.7
105.03288	1.7
105.88866	0.6
107.01285	6.4
108.02012	0.9
108.91639	0.6
109.02812	2.0
111.04356	1.0
113.02368	8.7
117.03362	0.8
119.03341	6.6
119.04943	35.9
120.05196	1.4
121.02101	0.5
121.02872	6.3
123.00732	2.6
123.04355	1.9
125.02368	16.3
131.03371	1.3
135.00824	0.7
135.04352	1.2
136.01573	1.1
137.02403	4.2
139.03860	1.2
143.03406	1.3
143.04936	2.8
145.02908	3.8
147.04369	1.0
149.02397	5.3
149.04393	0.8
150.02982	0.7
151.00311	14.0
151.03929	0.9
153.01811	0.8
155.03387	1.1
157.06384	0.7
159.10100	0.9
161.02321	1.0
161.04454	4.2
161.05847	1.4
163.00328	7.0
163.03923	1.8
164.00981	1.7
165.00735	0.7
165.01892	10.1
167.03441	3.5
177.01843	2.4
177.10297	0.6
179.03404	1.9
179.05452	2.7
179.06862	0.8
181.01369	0.7
183.10060	0.6
185.05925	2.1
187.03978	3.6
190.99663	1.0
191.03432	2.0
193.01398	29.1
194.01776	1.2
199.07588	0.9
205.01338	1.9
207.02873	2.8
219.02930	2.2
223.02496	4.4
226.13657	0.6
227.07120	2.4
229.04802	0.7
241.08647	0.7
269.08163	1.7
271.06171	15.2
271.19196	1.8
272.06326	0.9
283.06183	2.1
285.07278	0.8
297.07800	0.8
313.07245	100.0
314.07584	9.0
321.15582	0.9
325.07111	2.9
343.08313	24.9
344.08582	2.5
355.08490	1.1
363.20187	0.8
373.09164	0.7
415.10535	2.5
415.23694	1.0
433.11581	22.4
433.17178	1.2
433.24686	15.7
434.11444	3.2
434.24863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1151
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.70580	0.3
59.01244	0.7
61.11280	0.3
63.02272	2.1
64.99878	0.2
65.00207	5.8
71.09946	0.7
83.01279	4.1
84.65948	0.3
87.83212	0.3
88.64571	0.3
93.03353	8.1
94.03718	0.3
99.86089	0.3
107.01298	14.1
108.02134	0.4
117.03349	0.3
119.04942	40.3
120.05279	1.8
121.02872	0.5
125.02390	1.0
136.01636	0.6
137.02335	0.5
143.04956	0.6
145.02870	0.8
149.02362	0.3
151.00308	45.6
152.00671	1.5
152.71574	0.3
161.06062	0.3
164.01102	0.8
165.01860	2.3
169.01364	1.4
175.00317	1.2
177.01892	6.3
185.06084	0.7
187.03979	0.6
193.01476	0.7
227.07181	0.8
253.04938	0.4
271.06177	100.0
272.06531	9.0
272.09485	0.4
295.06097	1.0
313.07257	2.0
433.11523	1.9
433.28128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	7.0
59.01264	100.0
65.03831	4.5
67.01779	2.3
71.01262	13.9
71.43386	2.8
72.99170	2.3
73.02831	2.9
75.00732	1.5
83.01268	1.6
85.02830	4.7
87.00767	3.0
89.02337	10.1
91.01809	3.0
93.03357	2.4
95.01276	2.5
97.03896	1.3
99.00768	1.7
99.04423	6.8
101.02345	9.8
108.02042	4.8
109.02862	70.1
113.02346	6.4
114.30543	1.2
114.79060	1.5
119.03410	2.3
121.02853	4.7
122.03675	1.3
123.00773	7.3
123.04385	3.2
124.03967	1.5
125.02357	4.2
127.03077	1.9
127.03931	15.4
133.02869	4.1
135.00803	5.9
136.01564	2.1
137.02342	2.4
138.01889	9.3
139.02208	4.4
143.03352	1.9
149.02321	1.5
149.04485	2.5
153.01866	10.3
161.02417	1.9
161.04469	2.5
163.00319	13.1
163.03928	2.0
178.06287	1.9
179.05548	3.4
181.05046	1.8
185.05948	2.1
193.08702	3.2
196.07368	2.5
199.07628	1.8
211.09715	9.7
225.05476	2.2
227.07121	13.0
230.80580	1.4
242.05896	1.5
243.06641	90.3
244.07010	6.9
253.05124	1.3
271.03009	2.3
271.06165	64.4
272.06488	3.8
274.24237	1.4
285.07697	1.4
327.08047	1.7
343.13141	1.6
368.54135	1.3
373.14911	3.3
405.11780	3.3
433.11447	73.5
433.16223	2.9
434.11780	9.4
455.39322	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	433.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
57.03333	0.5
59.00990	0.6
59.01263	7.9
65.00211	4.0
68.99712	0.7
69.03330	1.6
71.01271	5.0
71.59818	0.4
72.99193	0.7
73.02804	0.8
75.00744	1.2
79.01764	1.1
81.03356	2.8
83.01273	3.7
83.04904	0.5
85.02850	2.2
87.00742	0.6
87.04436	0.5
89.01866	0.5
89.02340	3.6
93.03365	7.3
95.01250	1.6
95.04916	0.7
95.91881	0.4
96.95914	0.4
97.02850	4.9
98.20580	1.0
101.02366	3.1
105.03353	1.1
107.01299	5.7
109.02851	2.2
111.00739	0.4
111.04404	0.4
113.02362	2.9
117.03348	0.8
119.03445	1.8
119.04945	40.4
120.05266	1.2
121.02881	7.0
123.00823	2.1
123.04422	1.9
125.02373	14.5
126.02679	0.5
133.02823	1.3
135.00804	1.3
135.04465	1.1
136.01591	1.0
137.02370	4.4
143.03490	0.4
143.04959	3.4
145.02892	3.3
147.04433	0.8
149.02379	6.4
150.02998	0.5
151.00305	13.0
151.01526	0.8
151.03949	0.6
152.00778	0.5
153.01865	0.8
155.03404	1.2
157.06519	0.5
161.02368	1.0
161.04500	1.3
161.06004	1.6
163.00317	6.5
163.03947	1.3
164.01062	1.7
165.01894	11.2
167.03464	4.3
169.01291	1.0
169.06435	0.5
177.01917	3.5
179.03423	1.5
179.05574	0.7
185.06157	2.6
185.07469	0.4
187.03949	3.9
190.99834	0.9
191.03448	1.7
193.01402	26.4
194.01746	1.2
197.04443	0.5
197.11778	0.5
199.07649	1.2
203.07185	0.5
205.01399	1.8
207.03014	2.7
208.03395	0.4
209.06166	0.7
219.02957	2.4
223.02475	4.1
225.05576	1.2
226.06232	0.7
227.07101	1.6
229.05057	0.9
236.50215	0.5
241.08774	1.4
243.06624	0.7
245.08188	0.6
253.05121	2.3
269.08282	1.5
270.05313	0.7
271.06171	21.9
272.06546	1.5
283.06161	3.2
285.07706	0.7
313.07254	100.0
314.07599	8.3
325.07214	2.7
343.08307	24.2
344.08710	2.8
355.08331	1.7
370.06625	0.5
373.09366	0.7
385.09207	0.6
407.04184	0.4
415.10641	2.0
433.11493	26.8
433.24475	4.0
434.11841	3.0
434.24902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3175
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
59.01266	6.1
61.98730	0.7
71.01275	0.8
71.04906	13.1
71.53708	0.4
72.04361	0.3
72.05233	0.4
78.95803	2.0
87.04416	0.8
96.95891	0.5
99.04408	2.2
145.02837	0.8
146.12061	0.4
152.99515	3.4
161.04466	0.4
193.29561	0.3
263.20190	0.5
283.06158	1.0
285.22141	0.5
291.23401	3.2
305.47333	0.3
311.05493	1.7
333.03421	0.4
341.06436	0.4
341.24905	2.8
355.26520	2.3
356.26862	0.4
357.28018	4.5
358.28357	0.4
359.29626	19.2
360.30014	2.0
371.21313	0.5
371.26071	1.1
373.27637	1.1
387.28815	1.9
391.28754	1.3
403.28604	3.4
431.09784	1.9
431.31842	100.0
432.10245	0.5
432.32184	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	432.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	25.4
60.01598	2.5
61.01705	3.4
61.22073	1.4
61.98717	100.0
70.20436	1.3
77.56824	1.5
78.95808	8.6
120.55779	1.6
124.08231	1.3
151.45888	1.8
152.99562	9.7
153.99907	2.7
161.04552	1.8
165.31941	1.6
181.38693	1.7
212.53497	1.5
239.58340	1.7
284.06177	1.8
312.06290	1.5
316.23361	1.6
338.22211	2.1
354.27579	1.6
375.08829	1.6
429.53098	1.6
432.32391	3.1
433.13037	10.0
433.29568	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	433.1148
Annotation	Monospermoside
Peak:m/z	Relative Intensity
57.03339	7.0
59.01264	100.0
65.03831	4.5
67.01779	2.3
71.01262	13.9
71.43386	2.8
72.99170	2.3
73.02831	2.9
75.00732	1.5
83.01268	1.6
85.02830	4.7
87.00767	3.0
89.02337	10.1
91.01809	3.0
93.03357	2.4
95.01276	2.5
97.03896	1.3
99.00768	1.7
99.04423	6.8
101.02345	9.8
108.02042	4.8
109.02862	70.1
113.02346	6.4
114.30543	1.2
114.79060	1.5
119.03410	2.3
121.02853	4.7
122.03675	1.3
123.00773	7.3
123.04385	3.2
124.03967	1.5
125.02357	4.2
127.03077	1.9
127.03931	15.4
133.02869	4.1
135.00803	5.9
136.01564	2.1
137.02342	2.4
138.01889	9.3
139.02208	4.4
143.03352	1.9
149.02321	1.5
149.04485	2.5
153.01866	10.3
161.02417	1.9
161.04469	2.5
163.00319	13.1
163.03928	2.0
178.06287	1.9
179.05548	3.4
181.05046	1.8
185.05948	2.1
193.08702	3.2
196.07368	2.5
199.07628	1.8
211.09715	9.7
225.05476	2.2
227.07121	13.0
230.80580	1.4
242.05896	1.5
243.06641	90.3
244.07010	6.9
253.05124	1.3
271.03009	2.3
271.06165	64.4
272.06488	3.8
274.24237	1.4
285.07697	1.4
327.08047	1.7
343.13141	1.6
368.54135	1.3
373.14911	3.3
405.11780	3.3
433.11447	73.5
433.16223	2.9
434.11780	9.4
455.39322	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	431.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
57.40552	0.2
59.01264	100.0
60.01609	1.2
69.32413	1.8
71.01267	4.1
73.02835	0.6
83.01274	0.3
83.84259	0.2
85.02855	1.1
88.64329	0.2
89.01815	0.4
89.02336	4.4
89.52016	0.2
90.78584	0.2
95.01289	0.5
98.20613	0.4
99.04455	0.2
101.02351	2.4
111.03188	0.2
113.02350	1.9
117.03403	0.7
119.03426	1.9
131.03448	0.2
143.03505	0.5
149.04495	0.2
161.02364	0.3
161.04489	1.8
179.05563	1.2
258.75589	0.2
268.03915	0.7
269.04749	0.6
283.06195	1.9
311.05682	3.3
311.09137	0.2
336.49716	0.2
341.06998	0.7
350.93829	0.2
355.31915	0.2
371.21350	0.3
412.57477	0.2
431.09912	3.0
431.23099	0.8
432.10449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.8
57.66914	0.3
59.01265	100.0
60.01606	0.7
66.49509	0.2
67.52495	0.2
71.01270	3.5
72.98192	0.3
73.02840	0.5
83.01273	0.4
85.02855	0.6
86.23078	0.2
87.00790	0.2
89.02348	4.0
90.02718	0.2
91.01784	0.2
93.03351	0.3
97.02862	0.2
99.04433	0.5
101.02357	2.3
107.01318	0.3
113.02377	1.4
117.03391	0.7
119.03423	1.6
125.02386	1.5
131.03453	0.2
133.02876	0.7
137.02260	0.2
143.03456	0.3
149.02411	0.4
159.04485	0.4
161.02409	0.5
161.04533	1.0
179.05591	1.2
181.06570	0.8
183.04489	0.4
185.87103	0.2
196.05260	0.4
201.05525	0.6
218.73643	0.3
225.05537	0.8
241.05074	0.5
268.03897	0.6
269.04614	17.0
270.04886	1.4
271.06027	0.4
274.01193	0.3
281.04501	0.4
283.06189	3.6
298.04883	0.5
311.05682	5.7
312.06049	0.5
323.05750	0.5
341.06741	1.1
371.20581	0.3
431.09821	11.6
431.22821	0.8
432.10147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
57.03344	0.8
58.00486	0.5
59.01263	100.0
60.01599	0.9
61.98722	0.3
69.03344	0.7
70.51975	0.5
70.52341	0.5
71.01268	14.2
71.04902	0.5
72.99191	0.4
73.02835	12.3
75.00777	0.4
83.01274	3.6
85.02834	2.8
87.00790	0.6
88.98675	0.3
89.02333	5.6
95.01299	1.0
95.42363	0.2
99.00787	0.8
101.02342	12.6
102.02695	0.4
108.02084	0.5
111.00755	0.2
111.08064	1.2
113.02350	6.5
113.06052	0.2
119.03429	3.2
123.00833	0.2
125.02380	1.0
131.03418	1.0
135.04465	0.4
137.09717	0.2
143.03452	1.0
149.04530	0.8
152.01048	0.3
153.01723	0.2
153.09146	3.9
153.10304	0.3
155.03508	0.3
155.10733	0.9
159.02924	0.2
161.02412	0.5
161.04480	4.3
179.05606	1.3
181.05014	0.5
191.14384	0.3
203.05571	0.3
209.15465	4.0
210.15794	0.2
221.06644	0.4
227.16600	0.6
239.56287	0.3
268.03720	1.1
269.04639	0.6
283.06320	0.9
311.05777	1.0
371.20831	4.6
372.21069	0.3
387.27841	0.4
389.21762	1.4
415.20206	0.2
431.09195	1.6
431.27158	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	431.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77066	0.4
52.44096	0.4
56.98973	0.5
57.03334	3.3
59.01261	100.0
60.01601	1.5
61.98710	1.5
63.96794	0.4
69.03334	0.6
69.74100	0.4
70.79639	0.9
70.79987	0.5
71.01266	7.3
71.04902	0.7
71.16273	0.4
71.68887	0.4
72.99199	1.3
73.02846	2.0
75.00774	0.7
77.03854	0.5
79.01809	0.5
83.01289	1.5
83.04917	0.8
85.02834	2.5
87.00777	1.3
87.46572	0.4
88.98695	1.1
89.02335	3.9
93.03379	0.9
95.01285	0.7
95.04961	0.7
97.06510	0.9
99.00788	0.7
99.04411	3.0
101.02345	5.0
103.03899	0.5
109.02887	0.6
109.42933	0.4
113.02347	2.5
117.03394	1.5
119.03385	2.1
119.04925	0.9
121.02879	1.0
125.02386	3.6
133.02951	0.6
135.04466	0.7
137.02399	0.8
137.09695	0.6
143.03539	0.5
149.02370	0.6
151.00372	0.6
161.02397	2.1
161.04471	2.6
165.05676	0.4
165.12860	1.5
171.71333	0.5
179.03557	0.5
179.05594	0.7
191.14494	0.8
197.06158	0.5
203.03595	0.6
207.13898	1.2
209.11826	3.8
209.15602	0.6
239.03481	0.5
251.13158	0.4
268.03824	5.8
269.04517	2.7
269.10767	1.0
269.13977	14.5
269.16953	0.9
270.14340	0.9
281.04630	0.8
283.06192	6.6
284.06573	0.7
285.04010	0.4
299.05481	0.6
311.05643	12.8
312.06256	1.6
317.11594	0.6
323.05862	1.0
341.06592	2.8
371.21017	2.0
387.27786	0.9
389.21576	0.5
399.00763	0.5
431.09277	8.3
431.19403	2.2
431.26956	6.9
432.10205	1.0
432.27243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	25.0
58.03672	0.5
59.01263	100.0
60.01593	0.8
69.03348	0.7
70.48381	0.7
71.01264	2.7
73.02829	0.7
81.03362	0.5
83.01294	0.5
85.02847	0.7
89.02329	0.5
95.01298	0.4
97.02848	5.1
97.03471	0.3
99.04417	19.5
100.04716	0.4
101.02344	5.4
102.31420	0.2
105.14259	0.2
105.27649	0.2
107.01264	0.2
113.02337	1.1
117.85322	0.2
125.02366	33.7
126.02701	1.1
137.02400	0.2
143.03435	0.9
149.36229	0.2
151.03958	0.6
161.02402	2.8
161.04462	2.2
165.05493	0.2
176.04715	1.8
179.03458	4.3
191.07133	0.7
194.05827	5.1
195.06297	0.2
203.05603	0.7
209.08183	17.6
210.08508	0.8
224.57385	0.2
225.07684	0.3
243.08723	0.3
261.02588	0.2
329.08859	0.5
341.11392	0.2
369.12061	0.3
431.11957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97165	0.4
57.03340	21.4
59.01265	100.0
60.01596	1.1
63.68620	0.4
64.39147	0.4
70.94691	1.2
71.01279	1.7
81.03352	0.5
83.01263	0.7
85.02834	1.0
88.09573	0.5
97.02851	4.4
99.04418	14.2
101.02354	4.7
113.02342	0.8
121.28610	0.4
125.02367	27.0
126.02743	0.7
138.01897	1.5
140.07117	1.1
143.03415	0.6
161.02431	3.1
161.04552	0.9
164.31131	0.5
176.04713	3.6
179.03448	5.8
179.04744	0.6
191.07150	1.2
194.05824	5.5
209.08191	15.9
209.10060	0.9
210.08536	1.1
222.18053	0.5
250.78076	0.6
268.03964	0.6
269.04816	0.8
370.70529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2212
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.95837	0.2
54.80520	0.2
59.01265	3.6
60.01598	0.2
60.32197	0.2
61.98717	0.5
69.66317	0.5
69.66727	0.7
78.95795	69.2
96.96870	5.5
96.97501	0.2
108.25440	0.2
117.22139	0.2
148.46727	0.2
150.97968	1.9
152.99525	100.0
153.99892	1.4
171.00604	3.0
189.16312	0.2
209.08311	0.3
209.48393	0.2
241.71239	0.2
277.21802	1.2
283.06146	0.8
311.05719	0.7
341.06879	0.3
431.09863	0.6
431.22122	13.7
431.31842	0.6
432.22360	1.5
443.39630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97165	0.4
57.03340	21.4
59.01265	100.0
60.01596	1.1
63.68620	0.4
64.39147	0.4
70.94691	1.2
71.01279	1.7
81.03352	0.5
83.01263	0.7
85.02834	1.0
88.09573	0.5
97.02851	4.4
99.04418	14.2
101.02354	4.7
113.02342	0.8
121.28610	0.4
125.02367	27.0
126.02743	0.7
138.01897	1.5
140.07117	1.1
143.03415	0.6
161.02431	3.1
161.04552	0.9
164.31131	0.5
176.04713	3.6
179.03448	5.8
179.04744	0.6
191.07150	1.2
194.05824	5.5
209.08191	15.9
209.10060	0.9
210.08536	1.1
222.18053	0.5
250.78076	0.6
268.03964	0.6
269.04816	0.8
370.70529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	37.3
58.03668	0.5
59.01263	100.0
60.01614	0.9
61.98737	0.4
69.03358	1.2
71.01273	4.9
71.34824	0.4
71.58218	0.7
73.02837	1.4
81.03352	0.8
83.01277	1.0
85.02834	2.2
89.02380	0.4
93.03401	0.5
96.73406	0.3
97.02843	6.2
99.00783	0.7
99.04417	28.8
100.04736	0.6
101.02340	8.7
113.02364	1.9
120.70821	0.4
125.02364	41.1
126.02738	1.1
126.60630	0.4
137.70633	0.4
137.71732	0.4
143.03450	1.0
153.01903	0.6
161.02362	2.1
161.04469	3.4
176.04774	1.9
179.03484	5.0
191.07240	0.9
194.05812	5.2
203.05641	1.3
209.08173	13.2
210.08514	0.8
225.07896	0.4
243.08922	0.5
329.08862	0.8
347.75372	0.4
431.11929	1.4
452.70120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1358
Annotation	21634-52-6
Peak:m/z	Relative Intensity
52.21447	0.7
57.03336	3.7
59.01264	54.2
60.85050	0.6
61.58125	0.8
61.98716	38.7
62.27444	0.7
62.98442	0.8
71.01268	8.9
71.04898	1.1
72.99206	0.7
73.02824	3.8
75.00793	0.7
81.03343	0.9
83.01292	2.5
85.02840	4.2
85.06514	0.9
87.00785	1.4
87.04408	3.9
88.98735	1.7
89.02328	3.5
93.03383	3.0
95.01328	2.1
96.29152	0.7
97.02822	0.8
97.06487	0.8
97.58412	0.7
98.19791	1.9
99.00829	1.1
99.04420	3.4
101.02337	5.5
109.02869	1.1
113.02370	7.1
114.02682	0.7
116.43927	0.7
117.03381	5.2
119.03471	1.3
119.04970	1.5
121.02897	2.8
123.00826	1.7
123.04459	0.8
124.01597	1.4
125.02406	5.8
132.02162	2.6
133.02887	4.6
135.04448	3.7
137.02385	1.5
137.09738	0.9
139.03987	2.0
145.02928	3.0
147.04500	1.2
148.01591	0.9
149.02405	4.2
151.00357	3.0
151.04013	1.1
153.05551	1.7
153.09183	1.2
159.04489	1.3
160.01614	5.5
161.02382	46.9
161.04585	2.4
162.02986	3.0
163.03951	3.6
172.78505	0.7
173.02344	6.4
174.03233	2.1
175.00478	1.2
175.02490	1.6
175.03964	15.7
176.04742	46.0
177.05345	2.4
179.03506	1.0
187.04103	0.8
188.04860	2.3
189.05600	2.5
190.02750	2.0
190.06331	8.9
190.81949	0.7
191.03465	11.3
191.04872	0.8
191.07072	3.6
197.05974	0.9
201.05548	1.6
203.07256	2.5
205.05067	11.5
205.06831	0.9
206.05836	7.1
209.15552	1.6
217.01564	1.0
220.07359	4.1
221.08191	15.8
225.05679	2.3
239.03593	0.8
239.07307	0.7
240.04262	0.7
241.05092	1.5
252.04633	1.1
252.08112	0.8
253.05060	5.6
255.06566	1.3
264.08176	1.1
265.05145	1.3
267.03018	0.7
267.06754	1.6
268.03995	5.5
268.07571	2.6
269.04709	5.4
269.08075	1.3
269.17691	6.1
280.03995	1.0
280.07724	0.9
281.04587	4.5
282.05511	2.0
283.06311	10.4
283.09927	2.2
284.06760	1.7
293.04678	1.7
295.03381	0.8
295.06067	3.4
296.03546	1.8
296.07025	3.5
297.04227	5.3
297.07907	14.8
298.04834	0.8
298.08176	1.5
307.06195	3.8
308.06976	2.2
309.04297	2.5
309.07718	27.1
310.08243	1.8
311.05750	22.1
311.09402	3.0
312.06335	9.0
313.07220	0.9
321.07932	3.8
321.11493	0.9
322.08359	1.0
323.05844	2.4
323.09442	1.6
324.06522	3.6
325.07306	1.7
326.08261	2.9
327.08786	23.0
328.05969	0.9
328.09396	1.9
336.06332	0.8
337.10983	1.0
339.02686	1.0
339.08829	24.6
340.09296	2.2
341.06900	2.5
341.10590	1.8
342.11115	5.0
349.10788	0.9
353.10733	2.1
354.11105	12.0
355.11923	1.4
357.13501	71.3
358.13824	9.3
365.10483	1.8
369.09653	0.9
369.13715	3.0
371.20978	2.9
377.10458	1.7
383.11740	3.3
387.14709	3.4
389.22266	2.0
395.11462	4.2
399.11081	1.3
401.12399	3.3
413.12549	14.0
414.12875	1.7
425.60626	0.8
431.13843	100.0
432.14359	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	431.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47703	0.3
57.03337	74.7
58.03673	1.4
59.01264	23.2
60.01595	0.3
69.03338	2.8
71.01271	6.1
71.30353	0.8
73.02831	2.1
81.03346	0.9
83.01282	1.3
85.02841	2.3
87.00771	0.4
89.02328	0.5
89.14313	0.3
95.01294	1.5
97.02850	14.2
99.00780	1.0
99.04417	51.9
100.04745	1.0
100.13773	0.3
101.02348	17.4
102.02677	0.6
105.08549	0.3
107.04925	0.8
113.02345	2.4
115.69669	0.3
119.04939	0.9
123.04446	0.6
125.02365	100.0
126.02690	3.1
137.06024	2.2
143.03430	1.9
159.02939	0.5
161.02414	0.6
161.04480	5.9
179.03482	0.8
194.05840	0.8
203.05530	2.0
209.08180	2.5
225.07870	0.7
243.08745	1.8
268.03845	0.8
269.04337	0.4
287.07889	0.9
294.78079	0.3
329.08859	1.1
369.11819	0.8
431.10977	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	431.1204
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.99409	0.7
57.03337	64.2
58.03667	1.1
59.00995	1.2
59.01269	16.9
59.77083	0.7
69.03351	1.7
71.01273	4.8
71.33391	1.2
73.02836	1.2
82.02272	0.7
85.02820	1.2
95.01323	1.0
97.02847	13.2
99.00792	0.8
99.04419	50.8
100.04777	1.3
101.02344	16.2
113.02351	2.0
125.02369	100.0
126.02699	2.5
136.45085	0.7
143.03436	1.8
161.04514	4.9
203.05592	2.7
209.08234	1.7
243.08888	2.6
261.74707	0.7
332.90680	0.8
431.11865	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
58.79037	0.1
59.01262	4.7
63.02277	0.7
65.00175	0.8
69.23148	0.9
69.23572	0.4
71.01269	1.1
73.02827	0.4
77.48877	0.1
79.57861	0.1
83.01276	0.4
85.02838	0.3
88.98716	0.1
89.00233	0.2
89.02354	0.6
89.03882	0.1
91.01776	1.1
93.03342	0.4
96.16397	0.1
97.02887	0.1
99.04389	0.2
101.02330	0.6
107.01303	0.9
109.02874	0.2
113.02345	0.5
117.03368	0.6
119.03390	0.2
119.04932	0.3
121.02847	0.4
123.04440	0.2
125.02323	0.3
131.04890	0.1
132.02092	4.4
133.02893	2.0
134.03683	0.3
135.00786	1.3
135.04427	0.4
143.04959	0.1
145.02795	0.1
147.00758	0.2
149.02350	0.4
151.00343	0.6
153.01845	0.5
154.04193	0.4
155.04958	0.2
156.05722	0.2
157.02882	0.5
158.03632	0.2
159.04471	1.1
161.02400	0.4
161.04570	0.1
163.03873	0.2
167.05005	0.4
168.05681	0.2
169.06525	0.6
171.04475	0.3
173.06145	0.1
176.01112	0.6
177.01740	0.1
180.05775	0.9
181.06523	1.2
182.03659	0.3
183.04439	1.2
183.05748	0.1
184.05350	0.7
185.06107	0.1
191.03442	0.1
195.04451	1.2
196.05263	1.8
197.06026	0.8
198.03133	0.3
199.03960	0.6
201.05595	1.1
209.06134	0.2
211.03987	5.5
212.04742	2.0
213.05482	0.7
223.04018	2.9
224.04773	3.4
225.05502	1.1
226.02721	2.1
227.03426	0.6
239.03503	12.3
240.04262	4.2
241.04970	0.9
250.02673	0.2
251.03528	0.2
253.05116	0.7
255.06952	0.1
267.03040	12.2
268.03809	100.0
269.04556	86.9
270.04929	6.4
281.04562	0.4
282.05411	0.3
283.06137	2.5
284.06473	0.1
286.04681	0.2
291.06726	0.2
293.04514	0.2
295.06238	0.2
311.05661	4.9
312.06085	0.4
323.05606	0.3
327.77094	0.1
335.06064	0.1
341.06744	0.9
346.51291	0.2
357.06268	0.3
371.20114	0.1
406.00027	0.1
420.79996	0.1
431.09903	64.5
432.10233	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	431.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82549	2.8
69.82982	1.1
77.03848	2.9
79.01788	1.6
80.44334	0.6
93.03372	2.8
105.03333	1.2
117.03371	10.0
119.04946	1.6
121.02875	3.0
135.04453	2.9
149.02371	2.7
154.43701	0.6
155.72911	0.6
156.80464	0.6
159.04523	2.8
161.02390	4.8
163.00356	0.9
163.03941	4.7
165.01840	1.2
165.28026	0.5
168.20975	0.6
173.02394	0.7
179.03474	1.1
185.02277	0.6
191.03458	2.1
197.06061	1.5
203.03482	1.4
211.07631	1.1
216.88295	0.6
224.04797	0.6
225.05467	0.8
239.07233	2.1
243.06613	1.1
268.03824	3.4
269.04492	4.5
281.04547	5.4
282.05161	2.8
283.06183	70.3
284.06561	6.9
293.04654	2.9
295.06085	2.8
309.04095	0.9
311.05682	100.0
312.06030	9.9
314.04315	1.0
323.05649	6.4
324.06064	0.7
341.06772	13.6
342.07117	1.0
353.06729	1.1
413.08551	0.7
431.09912	45.9
432.10165	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	431.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
59.01263	7.4
59.24870	0.3
60.01567	0.4
71.01270	1.8
72.99182	0.5
73.02827	0.5
83.01281	0.5
83.79455	0.2
85.02843	0.7
87.00758	0.5
88.98696	0.5
89.02341	1.3
91.01801	4.1
93.03353	0.8
99.04443	0.4
101.02340	1.5
107.56894	0.3
109.02865	0.5
113.02338	0.8
118.19878	0.3
119.32326	0.3
121.02864	0.5
123.04437	0.4
125.02389	0.7
132.02089	1.7
133.02879	1.0
135.00803	8.8
135.04430	0.5
135.72572	0.3
136.01201	0.4
137.02361	0.7
147.00803	1.7
148.01582	0.4
149.02292	0.3
152.01135	0.3
153.01891	5.0
161.02359	0.4
161.04512	0.3
165.01846	0.3
167.03465	0.3
171.04448	0.4
175.00346	0.5
176.01096	0.4
180.05794	0.6
181.01378	0.4
181.05020	0.3
181.06570	0.5
182.03654	0.4
183.04482	1.1
184.05243	0.9
195.04517	2.8
196.05254	1.6
197.06062	0.4
198.03194	4.3
199.03864	1.2
200.01091	0.4
200.04764	1.5
207.04536	0.4
210.30765	0.3
211.04012	2.9
212.04701	1.0
213.05545	0.5
223.04066	2.7
224.04774	15.3
225.05482	3.6
227.03394	0.4
239.03508	2.8
240.04254	2.7
241.04955	1.0
250.21858	0.3
251.03694	0.7
251.12961	0.3
267.03049	2.4
268.03815	64.0
269.04483	13.6
269.07886	0.4
270.04910	0.8
283.06119	0.4
311.05664	1.1
431.09900	100.0
432.10278	11.6
432.16327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0995
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
51.82987	0.3
57.03334	3.3
59.01264	26.9
61.98725	0.7
65.00215	0.7
71.01279	3.9
71.04913	0.6
71.51955	0.6
73.02857	1.4
75.00791	0.6
75.29015	0.4
75.51678	0.3
75.97768	0.3
77.03844	3.0
79.01415	0.4
79.01807	1.6
83.01296	1.1
85.02876	1.9
87.00766	0.7
87.04441	0.5
88.98718	1.4
89.02364	1.7
93.03352	3.2
95.04927	0.4
97.02877	1.1
99.04431	2.6
101.02338	2.8
105.03370	1.1
107.01330	0.7
108.02086	0.8
109.02898	0.8
113.02379	1.3
117.03372	11.3
118.03724	0.4
119.03423	0.9
119.04938	1.9
120.85403	0.3
121.02875	3.4
123.04425	0.8
125.02380	4.7
131.03506	0.5
133.02910	0.8
135.04451	4.4
137.02380	0.9
145.02933	0.4
147.04466	1.1
149.02391	2.3
151.00284	0.7
152.01114	0.7
153.01949	0.4
153.09233	0.4
159.04459	2.3
161.02390	6.1
161.04530	1.7
163.00328	0.9
163.03961	4.5
165.01869	1.2
169.06432	0.4
173.06133	0.6
177.01926	0.5
179.03436	1.0
179.05641	0.4
182.03653	0.4
183.08127	0.7
185.61441	0.4
189.01865	0.5
191.03432	1.9
193.01389	0.6
195.04434	0.4
195.08087	0.4
196.05313	1.3
197.04480	0.5
197.06053	1.3
201.05606	0.5
203.03477	0.9
207.13795	0.5
209.11848	0.9
211.07590	0.8
213.05507	0.5
214.99536	0.4
215.07124	0.9
221.06323	0.5
224.04784	0.9
225.05539	0.8
237.05630	0.8
239.03496	0.9
239.07175	2.2
240.04311	1.1
240.18336	0.4
241.05139	0.5
243.06668	0.7
248.99698	0.4
253.05162	0.6
268.03815	13.6
269.04575	7.6
269.14044	2.9
270.04807	0.5
281.04645	4.6
282.05429	2.3
283.06183	57.4
284.06512	4.6
293.04578	2.4
295.06134	2.0
298.04929	0.5
299.05807	0.6
309.04022	1.1
311.05679	100.0
312.02359	0.5
312.05988	9.1
312.09387	0.7
313.07364	0.4
314.04337	0.6
323.05679	3.4
341.06717	10.7
342.07034	1.3
353.06625	1.0
371.20828	0.7
371.24771	0.5
386.74536	0.4
387.10748	0.4
395.07874	0.4
401.25616	0.5
413.08719	0.5
413.25751	0.9
418.73038	0.4
431.09869	64.7
431.26917	6.5
432.10193	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	430.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87313	0.2
57.03335	0.7
59.01264	11.8
61.98717	100.0
63.62893	0.2
65.00209	0.5
69.44214	0.7
69.44631	1.3
71.00919	0.3
71.01270	1.9
73.02871	0.5
80.72648	0.2
81.03326	0.3
81.21926	0.2
83.01295	0.7
85.02843	1.0
87.00747	0.3
89.02357	0.8
89.75225	0.2
93.03360	0.7
95.01299	0.3
97.02873	0.3
99.04431	0.3
101.02348	1.1
104.27567	0.2
107.01308	0.5
113.02383	0.9
117.03366	1.4
119.04926	0.3
121.02908	0.4
125.02362	1.6
126.04381	0.2
132.02106	0.2
133.02872	0.6
135.04456	0.4
136.81036	0.2
137.02411	0.4
145.02946	0.3
149.02412	0.9
151.00314	1.5
152.00720	0.7
153.01698	0.3
153.09154	0.3
159.61890	0.2
160.01588	0.5
161.02390	5.7
161.04555	0.9
163.04037	0.7
173.02412	1.0
174.03163	0.3
175.04001	1.7
175.70248	0.2
176.04736	4.7
188.04807	0.3
189.05571	0.4
190.06389	0.7
190.27269	0.2
191.03506	1.5
191.07155	0.6
203.07196	0.3
205.05086	1.1
206.05865	0.7
217.01430	0.4
220.07542	0.4
221.08162	1.4
225.05502	0.5
226.05974	0.6
253.05234	0.8
256.33090	0.2
265.05038	0.3
268.03894	0.8
269.04672	0.7
281.04706	0.6
283.06192	1.8
285.04214	0.6
295.06262	0.3
297.04312	0.5
297.07864	1.2
309.07635	1.4
311.05695	4.9
311.09146	0.3
312.06564	0.4
321.07916	0.3
324.06244	0.3
326.08047	0.4
327.08774	1.9
339.08826	2.2
341.06717	0.6
341.10431	0.4
342.11234	0.5
354.11099	1.3
357.13489	7.8
371.21075	0.4
386.10074	0.3
387.14819	0.4
395.11597	0.3
413.12399	1.4
430.11118	1.1
431.09427	1.4
431.14417	5.9
431.26782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
59.22508	0.3
60.01601	1.1
61.98734	0.5
65.14510	0.3
71.53386	0.3
71.58523	0.5
89.93073	0.3
148.77713	0.3
151.03838	0.3
160.25946	0.3
429.30344	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	429.3382
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
52.58207	0.2
53.70516	0.2
54.18110	0.2
56.56343	0.2
58.17922	0.2
59.01274	1.5
62.14502	0.2
63.46871	0.2
69.83559	1.1
73.72640	0.2
88.28678	0.2
98.20485	0.3
116.55418	0.2
218.10121	0.2
360.90070	0.2
381.59222	0.2
429.33829	100.0
430.34195	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01600	0.9
61.98724	0.5
71.01270	0.5
71.06581	0.2
78.95795	1.6
89.02351	0.4
91.03902	2.1
96.96880	0.3
98.19765	0.6
111.24288	0.2
134.71014	0.2
152.99529	3.4
195.13905	1.4
229.55014	0.3
277.21838	1.0
295.22839	11.8
296.23221	1.3
429.30316	0.8
430.30261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01598	1.1
61.98718	2.8
62.76294	0.9
69.37793	0.9
69.61404	1.6
69.61803	6.9
73.57972	0.9
78.95780	2.3
89.02328	2.0
91.03860	1.3
96.95900	1.5
98.19857	1.8
112.27875	1.0
117.30371	1.0
129.34535	1.0
151.86284	1.0
152.99493	4.3
295.22900	7.1
307.00854	1.1
312.20547	1.0
429.30417	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	429.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89155	0.4
59.01266	100.0
60.01604	1.3
61.01679	0.4
61.98720	4.4
63.07571	0.4
68.10015	0.4
68.26415	0.3
69.42995	1.3
69.43420	1.9
71.01244	0.6
78.95802	0.8
81.31101	0.4
87.00780	0.5
89.02347	0.9
91.03927	0.7
96.95902	3.9
111.74966	0.4
112.23202	0.4
119.03448	0.4
124.43716	0.4
132.18143	0.4
152.99561	1.0
171.10193	0.9
227.06590	0.4
236.93700	0.4
277.21881	1.7
295.22830	6.4
296.23331	0.7
304.31839	0.5
346.45395	0.5
369.13260	0.9
394.16019	0.5
397.20114	0.4
429.30640	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	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99190	0.2
56.92839	0.2
57.03334	0.5
58.00486	0.7
59.01263	100.0
59.61249	0.2
60.01601	1.0
66.62143	0.2
69.03370	0.3
71.01267	13.4
71.52111	0.4
72.99195	1.1
73.02838	1.6
83.01278	0.5
85.02831	2.2
87.00774	1.2
89.02335	15.4
95.01303	0.6
99.00787	0.6
101.02345	6.4
101.08289	0.2
108.02075	1.1
109.02884	0.8
113.02357	5.2
119.03415	6.0
119.04965	0.3
121.06477	0.2
125.02402	0.5
131.03456	0.9
135.04503	0.4
137.02420	0.2
137.09669	1.7
143.03384	1.4
149.04552	0.9
152.01091	1.5
153.01915	0.8
156.75037	0.3
161.02419	0.2
161.04482	2.4
179.05569	4.5
180.05992	0.3
207.14009	0.3
223.13522	0.5
225.15025	0.6
267.12503	0.4
267.16208	0.4
277.20206	0.2
309.04236	0.5
369.19513	0.4
370.10632	0.9
429.09332	0.8
429.11295	0.8
429.21100	2.0
430.11694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03338	0.8
57.33023	0.3
58.00484	0.5
59.01264	100.0
60.01601	1.4
69.03347	0.4
69.29783	2.7
71.01270	13.0
72.99195	1.6
73.02836	6.4
75.59547	0.3
83.01279	2.4
85.02845	2.6
85.98189	0.4
87.00780	1.0
89.02334	7.5
89.02839	0.5
95.01288	0.7
97.02831	0.5
99.00813	0.6
101.02347	9.0
108.02098	0.6
109.02902	0.3
113.01611	0.7
113.02349	5.1
113.03075	0.6
119.03439	2.4
119.04929	1.1
123.50461	0.3
125.02397	1.0
126.99316	0.3
131.03473	1.1
135.04449	0.6
143.03419	0.9
149.04497	1.0
149.29686	0.3
151.00276	0.4
151.03978	0.4
152.01106	1.5
161.04478	2.7
165.12842	0.4
179.05629	2.2
181.48996	0.3
207.14072	0.4
223.13568	0.6
225.14954	2.2
248.62749	0.3
249.14998	0.4
267.12473	1.0
268.96173	0.3
281.04843	0.4
283.06284	0.4
297.13623	0.5
339.04974	0.5
369.06073	0.7
369.19086	0.4
387.20309	0.7
429.09064	1.4
429.17612	1.3
429.22446	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50957	0.4
57.03337	0.5
58.00486	0.8
59.01263	100.0
60.01612	0.8
71.01268	10.2
71.18923	0.4
72.99213	0.6
73.02837	1.0
83.01277	0.5
83.74561	0.3
85.02837	2.3
87.00792	1.1
89.02336	14.1
95.01299	0.8
97.08958	0.4
99.00771	0.7
101.02344	6.2
101.54959	0.3
108.01443	0.4
108.02071	2.2
109.02856	0.5
113.02375	4.1
114.65835	0.4
117.03423	0.9
119.03419	5.4
131.03426	0.6
137.02422	0.5
137.09657	2.2
143.02377	0.3
143.03476	1.6
152.01093	4.0
153.01859	0.5
161.02379	0.4
161.04543	1.6
163.04086	0.4
179.05574	4.4
189.01945	0.5
207.03064	1.1
207.46750	0.4
219.03015	0.5
223.13347	0.7
229.16614	0.6
238.06184	0.4
253.05038	0.5
254.05756	0.4
267.12531	0.9
269.04773	0.6
281.04791	1.5
282.05240	1.8
283.06207	3.0
295.06116	0.7
309.04144	1.4
310.04947	0.4
311.05795	0.7
314.14966	0.4
323.05801	0.9
337.03656	0.5
339.05154	4.5
341.06900	0.8
351.05270	0.8
369.06323	4.7
370.06924	0.6
411.07513	0.5
429.08008	9.7
430.08759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50957	0.4
57.03337	0.5
58.00486	0.8
59.01263	100.0
60.01612	0.8
71.01268	10.2
71.18923	0.4
72.99213	0.6
73.02837	1.0
83.01277	0.5
83.74561	0.3
85.02837	2.3
87.00792	1.1
89.02336	14.1
95.01299	0.8
97.08958	0.4
99.00771	0.7
101.02344	6.2
101.54959	0.3
108.01443	0.4
108.02071	2.2
109.02856	0.5
113.02375	4.1
114.65835	0.4
117.03423	0.9
119.03419	5.4
131.03426	0.6
137.02422	0.5
137.09657	2.2
143.02377	0.3
143.03476	1.6
152.01093	4.0
153.01859	0.5
161.02379	0.4
161.04543	1.6
163.04086	0.4
179.05574	4.4
189.01945	0.5
207.03064	1.1
207.46750	0.4
219.03015	0.5
223.13347	0.7
229.16614	0.6
238.06184	0.4
253.05038	0.5
254.05756	0.4
267.12531	0.9
269.04773	0.6
281.04791	1.5
282.05240	1.8
283.06207	3.0
295.06116	0.7
309.04144	1.4
310.04947	0.4
311.05795	0.7
314.14966	0.4
323.05801	0.9
337.03656	0.5
339.05154	4.5
341.06900	0.8
351.05270	0.8
369.06323	4.7
370.06924	0.6
411.07513	0.5
429.08008	9.7
430.08759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.4
59.01263	100.0
60.01604	1.0
71.01266	3.3
72.10700	0.2
72.99218	1.1
73.02848	1.3
75.00766	0.3
83.01285	0.6
85.02825	1.3
85.06514	0.4
89.02325	1.7
89.97187	0.3
95.01321	0.6
101.02341	2.5
108.02077	3.5
109.02865	2.3
113.02357	1.8
119.03448	0.5
122.29419	0.3
123.08123	0.9
125.02341	0.3
131.07095	1.2
137.09657	0.4
138.39885	0.3
151.35788	0.2
152.01086	3.9
153.01889	1.1
161.04483	0.6
163.11241	0.5
165.01842	0.3
189.12880	1.0
207.13904	2.0
225.15059	0.7
229.22856	0.3
249.15207	0.4
284.03320	0.4
285.04044	0.5
309.04248	0.3
369.19510	0.3
381.13132	0.3
387.20319	0.8
404.40146	0.2
429.08704	1.1
429.14261	4.3
429.21460	2.9
430.09055	0.3
430.21689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60218	0.3
57.03349	0.3
59.01265	100.0
60.01604	1.0
69.65198	0.4
69.65603	1.6
71.01272	2.5
72.99214	0.5
73.02863	0.7
83.01267	0.4
85.02851	1.0
89.02350	1.0
101.02351	1.2
108.02070	1.8
109.02896	1.1
113.02377	0.7
119.03423	0.4
123.08115	1.0
131.07069	0.5
152.01088	2.1
153.01875	0.6
161.04535	0.8
163.11284	0.7
170.29420	0.3
189.12823	1.2
207.13907	1.6
225.14993	0.6
307.36548	0.3
387.20462	0.4
409.69040	0.3
429.08551	0.8
429.14319	1.8
429.21194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
56.06703	0.6
57.03335	2.2
58.00466	1.5
59.01264	100.0
59.75095	0.6
60.01603	1.1
63.35712	0.6
69.03353	1.3
71.01271	21.9
71.04915	0.9
71.51788	0.7
71.52166	0.9
72.99209	2.2
73.02832	11.1
75.00736	0.9
83.01272	5.4
83.04909	1.0
85.02839	5.3
87.00777	4.9
89.02340	15.1
93.03339	0.9
95.01289	1.5
97.06507	3.3
99.00805	1.0
101.02343	16.1
107.04933	7.8
108.02074	21.2
109.02900	5.6
111.00779	0.8
113.02351	10.3
113.58566	0.7
119.03416	4.9
119.04868	0.6
120.05747	1.8
121.02847	1.2
123.04405	0.8
125.02385	2.5
128.59654	0.6
135.04449	5.4
141.05504	1.0
143.03439	1.3
149.04558	1.3
151.00363	1.3
152.01094	38.5
153.01686	2.1
157.06488	0.9
159.08177	0.9
161.04506	2.4
161.09676	6.5
161.13335	3.6
163.03886	1.4
163.11240	1.3
177.01950	1.0
179.05586	1.7
187.11261	9.4
188.11588	0.9
189.09222	2.8
203.10747	1.9
205.12331	4.2
207.10313	2.8
213.02620	0.7
223.13391	42.3
224.13789	2.9
229.12408	1.3
249.11418	4.5
267.12424	47.1
268.12677	3.3
283.06204	1.2
291.12277	0.8
297.68112	0.7
309.04199	2.4
309.13663	1.1
313.07175	0.9
339.05231	1.3
369.06165	1.1
387.20462	1.1
429.10529	27.9
429.17752	6.0
429.25320	1.0
430.10629	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	429.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.0
59.84483	0.3
71.12498	0.5
71.12821	0.4
80.53029	0.3
83.39440	0.2
99.00767	0.4
99.92485	5.4
99.93150	0.3
100.93262	2.8
102.55573	0.3
102.87511	0.3
115.91990	100.0
116.91999	4.8
116.92781	6.1
117.92426	0.3
132.92294	0.9
135.43140	0.3
135.73277	0.3
157.89589	0.3
172.95442	5.0
255.23315	0.6
355.16019	0.5
371.15689	0.4
381.17490	1.0
411.18628	0.4
429.19580	5.6
429.33990	0.4
430.19766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.7
58.00482	1.0
59.01264	100.0
60.01596	1.5
71.01270	15.2
71.03602	1.6
71.04906	0.9
72.99214	1.4
73.02843	2.6
79.05431	0.5
83.01265	2.0
83.04913	1.5
85.02833	3.6
87.00766	6.4
89.02341	13.8
95.04908	0.9
95.37008	0.6
97.06493	7.1
101.02351	7.6
101.02929	0.8
107.04929	12.3
108.02094	1.2
109.02853	2.0
113.02357	7.5
119.03399	4.6
120.05719	1.8
125.02383	0.8
131.03403	0.8
135.00900	0.7
135.04463	3.8
137.09641	0.7
141.05516	1.7
143.03387	0.9
145.10088	0.6
146.07281	0.9
149.04500	1.0
152.01117	2.0
153.01872	4.3
154.83376	0.6
159.08080	1.3
159.11761	0.9
161.04517	2.7
161.09674	10.8
161.10930	1.1
161.13286	5.1
163.11238	1.7
179.05591	2.0
187.11261	12.7
188.11636	1.1
189.09203	5.2
203.10811	2.4
205.12294	5.4
207.10240	3.9
207.13992	0.7
220.79616	0.6
223.13400	59.5
224.13712	4.4
229.12361	1.6
249.11353	6.0
267.12436	88.1
268.12766	6.1
291.12381	0.6
309.13474	1.7
353.06720	0.9
369.15689	1.7
429.11780	1.6
429.17560	14.3
429.23264	0.9
430.12381	0.7
430.18091	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	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01598	1.0
62.79769	0.4
67.70550	0.3
71.02523	0.6
71.02871	0.8
79.26146	0.4
82.16616	0.3
91.03928	1.4
93.99583	0.4
110.35364	0.3
121.79330	0.4
171.10208	1.6
223.53172	0.4
229.97972	0.4
275.20230	4.4
276.20541	0.4
293.21262	5.9
300.80966	0.4
360.87439	0.4
426.77310	0.4
440.28613	0.4
453.92252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10372	0.2
59.01266	100.0
60.01606	1.0
70.04257	1.3
72.32064	0.2
100.68226	0.3
293.21548	0.3
331.04858	0.2
366.57596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94545	0.3
59.01267	100.0
60.01607	1.4
66.48095	0.2
69.68089	0.2
71.43272	0.4
77.12254	0.2
161.02454	0.2
180.08739	0.2
258.04688	0.2
290.97272	0.2
293.21298	2.7
367.13605	0.4
377.99890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.5
62.88477	0.3
63.92702	0.3
71.01275	1.8
71.27993	0.5
71.28310	0.6
83.01284	0.5
87.00772	100.0
88.01117	1.4
89.02316	1.8
99.00805	0.5
101.02342	0.9
105.79702	0.4
113.02343	0.8
119.03403	0.8
124.01572	0.4
135.02933	0.4
150.16231	0.4
164.98314	0.4
170.22881	0.4
179.05623	0.4
225.64470	0.4
310.04019	0.4
340.38116	0.4
341.10934	4.2
429.12521	0.9
444.03583	0.4
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
54.38982	0.5
59.01262	100.0
60.01598	1.2
68.68816	0.5
69.15299	0.6
69.41552	0.5
83.63121	0.5
96.95932	0.8
108.73140	0.5
109.92189	0.5
157.08618	0.6
200.35101	0.5
252.64391	0.5
288.04367	0.5
293.21240	3.7
412.11670	0.9
427.14203	1.9
427.28787	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90026	0.4
51.82732	0.4
56.61255	0.3
59.01266	100.0
60.01600	1.2
64.10421	0.4
69.61787	0.7
69.62192	2.9
71.01264	0.8
72.43261	0.3
81.12069	0.4
91.03906	0.9
98.19797	0.8
120.20042	0.4
131.55202	0.5
148.13576	0.4
150.27087	0.4
232.07121	0.4
235.17027	4.0
235.25117	0.4
275.20233	7.4
293.21307	4.1
294.21701	0.5
427.28726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78042	0.3
59.01266	100.0
60.01609	1.1
63.57616	0.3
71.42217	0.6
91.03905	2.4
95.88982	0.3
121.51934	0.3
122.53720	0.3
124.17795	0.3
171.10249	1.0
223.13525	0.3
236.89023	0.3
244.54980	0.3
266.76938	0.4
275.20224	3.0
275.22424	0.3
277.36929	0.3
284.07050	0.3
293.21307	8.2
294.21738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
57.03331	1.2
58.00481	0.7
59.01263	100.0
60.01608	1.2
61.98722	1.0
65.66647	0.4
69.03346	1.0
71.01270	36.5
71.51672	0.7
72.01629	0.6
72.99197	1.8
73.02836	32.5
73.54608	0.4
75.00758	0.7
83.01278	11.1
83.04967	0.6
85.02844	7.2
87.00785	5.0
87.04424	0.7
89.01774	0.7
89.02332	11.9
95.01305	1.6
97.02870	1.3
99.00797	2.7
101.02345	36.2
102.02671	0.6
111.00825	0.5
111.04456	0.6
113.02350	11.7
114.02682	0.5
119.03409	5.6
119.04893	0.7
119.43573	0.4
122.61986	0.4
123.08086	0.5
125.02367	1.6
129.01851	0.6
131.03429	2.8
132.05797	0.5
133.06519	6.4
137.09688	0.6
141.01872	0.4
143.03442	3.0
143.93149	0.4
149.04497	3.1
149.09641	0.7
155.03429	0.9
159.02890	0.6
161.04515	10.2
161.05887	0.6
161.09644	2.7
162.04860	0.4
171.08177	0.7
175.07614	1.6
175.11250	0.5
176.08406	2.2
179.05574	3.6
187.11249	17.0
188.11647	1.2
189.09271	1.6
189.12762	0.5
190.09987	3.3
191.10519	0.5
203.05499	0.5
203.10793	1.9
204.11536	3.5
205.12315	22.2
206.12733	1.8
215.10782	1.6
219.10382	0.4
221.06657	0.5
222.09085	0.5
223.13435	0.5
231.10272	1.0
233.11833	13.3
234.12265	0.5
247.13545	0.6
259.13470	6.4
277.14539	6.2
355.46219	0.5
367.17480	0.7
427.11035	0.4
427.15906	1.6
427.19974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17279	0.3
55.01770	0.7
57.03332	1.2
57.21305	0.3
58.00494	0.9
58.12361	0.4
59.01263	100.0
60.01594	0.9
61.98731	1.1
63.83409	0.3
69.03358	0.8
69.18903	1.7
69.19327	2.2
71.01268	24.1
72.01580	0.5
72.99201	2.8
73.02836	17.0
75.00755	0.7
81.03352	0.4
83.01286	4.4
85.02841	6.2
87.00778	1.7
89.02338	5.3
95.01269	1.8
95.04934	0.8
97.02838	2.8
99.00768	1.7
101.02346	14.1
101.93118	0.4
102.02633	0.4
105.06999	0.4
108.05702	0.7
109.06498	0.7
111.04404	0.8
113.02350	9.3
113.05959	1.8
119.03386	2.2
121.06500	0.5
121.52229	0.3
122.03659	0.9
123.08074	2.4
125.02421	0.5
125.06015	1.5
129.38026	0.4
131.03485	0.9
135.08105	0.5
136.05209	1.3
137.06007	0.8
138.06802	10.4
139.07588	4.5
143.03413	1.3
149.04501	1.0
149.05994	0.7
151.07602	11.6
152.04762	1.1
152.08369	27.3
153.09152	65.8
154.09491	3.2
159.02980	0.6
161.04488	5.5
161.09653	0.9
163.11215	1.2
165.09184	2.1
167.07083	1.4
179.10634	0.6
187.11218	0.7
189.09190	0.5
190.09927	1.1
199.10074	0.3
203.05598	0.6
205.12326	24.2
206.12671	1.8
223.13400	10.6
224.13829	0.8
229.12379	0.5
347.07813	0.4
349.16510	0.5
367.17715	8.3
368.17993	0.9
385.18814	4.4
386.18912	0.7
427.19696	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	427.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.8
57.03331	1.2
58.00481	0.7
59.01263	100.0
60.01608	1.2
61.98722	1.0
65.66647	0.4
69.03346	1.0
71.01270	36.5
71.51672	0.7
72.01629	0.6
72.99197	1.8
73.02836	32.5
73.54608	0.4
75.00758	0.7
83.01278	11.1
83.04967	0.6
85.02844	7.2
87.00785	5.0
87.04424	0.7
89.01774	0.7
89.02332	11.9
95.01305	1.6
97.02870	1.3
99.00797	2.7
101.02345	36.2
102.02671	0.6
111.00825	0.5
111.04456	0.6
113.02350	11.7
114.02682	0.5
119.03409	5.6
119.04893	0.7
119.43573	0.4
122.61986	0.4
123.08086	0.5
125.02367	1.6
129.01851	0.6
131.03429	2.8
132.05797	0.5
133.06519	6.4
137.09688	0.6
141.01872	0.4
143.03442	3.0
143.93149	0.4
149.04497	3.1
149.09641	0.7
155.03429	0.9
159.02890	0.6
161.04515	10.2
161.05887	0.6
161.09644	2.7
162.04860	0.4
171.08177	0.7
175.07614	1.6
175.11250	0.5
176.08406	2.2
179.05574	3.6
187.11249	17.0
188.11647	1.2
189.09271	1.6
189.12762	0.5
190.09987	3.3
191.10519	0.5
203.05499	0.5
203.10793	1.9
204.11536	3.5
205.12315	22.2
206.12733	1.8
215.10782	1.6
219.10382	0.4
221.06657	0.5
222.09085	0.5
223.13435	0.5
231.10272	1.0
233.11833	13.3
234.12265	0.5
247.13545	0.6
259.13470	6.4
277.14539	6.2
355.46219	0.5
367.17480	0.7
427.11035	0.4
427.15906	1.6
427.19974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08948	0.2
59.01266	0.9
69.26004	2.3
69.26434	0.4
93.45941	0.2
98.20568	0.6
109.02847	0.6
115.91982	0.8
119.04900	0.5
121.02840	0.3
123.04430	0.3
133.02861	0.9
135.04422	0.3
138.02449	0.2
148.01582	2.7
149.02367	0.4
150.03151	0.6
163.03963	0.4
175.03992	0.8
182.18272	0.3
187.04089	0.4
191.03458	0.9
197.06015	0.3
201.01988	0.3
202.02682	0.7
203.03491	1.3
204.04239	0.7
205.05017	0.4
207.03128	0.3
211.07555	0.4
215.03503	0.7
217.08475	0.4
223.07632	1.0
224.04910	0.3
225.05600	0.4
227.03461	0.4
227.07108	0.3
233.04420	0.3
237.05391	0.3
238.06239	0.3
239.07114	2.2
240.07837	0.5
241.05074	0.4
251.07176	1.0
252.04358	0.6
253.05121	0.6
254.05820	0.3
255.06689	1.7
256.07303	0.3
265.05215	0.3
266.05701	0.6
267.06686	2.8
268.07349	1.1
269.04721	0.7
269.08072	0.3
278.05658	0.4
279.06601	0.9
280.07458	0.5
281.04672	0.9
282.05386	0.5
283.06213	3.4
284.06851	0.6
285.07739	0.6
294.05273	0.4
295.06183	3.1
295.09305	0.4
296.03476	0.6
296.06665	0.4
297.04016	0.9
297.07675	1.0
298.08267	0.4
309.04080	0.9
309.07336	0.3
310.04865	1.4
311.05695	5.7
311.09222	0.5
312.06448	19.5
313.07098	3.2
314.07681	0.3
322.04822	0.4
323.05667	4.4
324.06430	13.2
325.07043	3.1
326.07977	0.7
327.08633	1.6
337.07275	0.8
339.08810	5.9
340.09299	0.4
341.02612	0.6
341.06729	12.5
342.07480	20.3
343.07761	1.7
355.08319	0.4
356.09134	4.4
357.09836	11.2
357.14301	0.6
358.10269	1.3
364.09573	0.9
374.06146	0.3
376.09427	0.7
379.11996	0.6
388.08060	11.3
389.08536	1.4
394.10687	2.5
409.13031	2.9
412.11707	3.7
413.12170	0.4
427.14050	100.0
428.14383	11.9
437.96716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.3
69.79218	1.1
83.11707	0.2
92.38325	0.2
109.02870	0.3
119.04949	0.3
121.02862	0.4
128.25706	0.2
133.02910	0.2
135.04491	0.4
148.01599	2.4
149.02357	0.6
150.03163	0.4
163.03963	0.5
165.05467	0.3
170.61377	0.2
172.95686	0.2
174.03218	1.1
175.03935	0.6
186.03169	0.5
191.03560	0.3
193.05107	0.2
202.02702	3.5
203.03398	1.0
204.04111	0.4
211.07681	0.4
214.02748	1.0
215.03516	0.6
217.04785	0.2
223.07600	0.8
224.04776	0.3
225.05554	0.3
228.08264	0.2
232.03931	0.2
232.24695	0.2
237.05640	0.3
239.07147	1.8
240.04135	0.4
240.07890	0.3
241.04985	0.6
251.07233	1.0
252.04309	0.4
253.05020	0.6
255.06656	2.5
256.07138	0.3
265.05103	0.3
266.05930	0.7
267.06671	3.4
268.03818	0.9
268.07233	0.7
269.04764	0.4
269.07721	0.3
270.08878	0.2
278.05841	0.3
279.06656	1.4
280.96313	0.2
281.04572	0.7
282.05304	0.5
283.06186	4.3
284.06833	0.6
293.04575	0.4
294.05426	0.7
295.06107	2.0
296.03394	4.1
296.06726	0.5
297.03897	0.7
297.07761	1.2
298.08505	1.6
307.06131	0.4
309.04068	0.6
309.07599	0.4
310.04907	1.9
310.08401	0.5
311.05676	9.9
312.06448	17.2
313.06894	1.6
321.07748	0.2
322.04727	0.5
323.05600	3.1
324.06442	13.1
325.07037	4.1
326.04117	0.4
326.08002	6.9
327.08624	2.4
328.09149	0.2
330.07297	0.6
337.07220	0.6
338.08020	0.9
339.05170	0.2
339.08786	4.5
340.09067	0.5
341.06595	2.1
342.07501	10.8
343.07806	1.0
355.08203	0.5
356.09122	1.3
357.05579	0.4
357.09879	6.2
358.06955	9.3
359.07257	1.2
363.08862	0.6
364.09668	1.2
365.10098	0.3
370.06970	1.0
375.08963	0.4
376.09592	0.8
377.10150	0.2
379.12201	0.5
382.10846	0.6
388.07977	3.1
389.08411	0.5
391.12097	0.5
394.10629	3.2
395.11035	0.5
397.13165	0.5
401.40146	0.2
409.12961	3.0
410.13501	0.2
412.11749	6.1
413.12054	0.8
425.12558	0.2
427.14038	100.0
428.14395	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	427.1406
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
51.83060	0.2
56.88457	0.3
57.03309	0.3
59.01262	2.0
69.30437	1.4
69.30873	1.2
71.01278	0.7
78.95798	3.7
80.14984	0.3
83.01299	0.3
85.02842	0.5
89.02302	0.3
94.00700	0.2
96.95927	3.8
96.96860	7.0
98.20628	0.5
101.02335	0.5
101.20386	0.3
102.50825	0.2
105.44398	0.2
109.02868	0.6
113.02352	0.3
114.17556	0.3
121.02879	0.6
133.02855	0.5
135.04407	0.3
137.02338	0.3
147.47392	0.3
148.01616	1.0
149.02402	0.4
161.02344	0.4
175.03889	0.3
177.01877	0.3
201.01891	0.6
202.02667	0.7
214.02710	1.0
215.03423	1.1
226.02719	0.3
227.03439	0.7
235.09776	0.4
241.05101	0.5
250.06268	0.3
251.07141	0.3
253.05057	0.4
255.06801	0.3
256.07507	0.3
265.07645	0.6
267.06729	0.6
267.09277	1.1
277.04852	0.3
279.06589	1.0
281.04514	0.7
291.06873	0.5
293.08344	0.4
295.06232	0.8
307.06180	0.6
309.04126	1.7
309.10345	0.7
311.05643	1.1
312.06390	1.0
319.02621	0.3
322.04950	0.8
323.05661	13.5
324.06238	1.9
325.06985	0.6
329.23447	0.8
335.05704	10.0
336.06042	1.1
337.07175	1.0
337.10742	0.6
349.07162	1.0
349.11069	0.5
350.07916	0.5
351.08807	1.1
352.05777	0.9
352.09610	2.9
353.06665	6.7
353.10281	0.7
354.07086	0.9
363.08878	1.2
364.09641	3.8
365.10358	3.9
366.10992	0.6
367.08224	2.8
367.12140	0.9
376.09628	0.4
377.10397	3.1
379.12103	1.5
380.08762	0.4
381.09680	1.8
382.10641	11.9
383.11078	1.8
389.72839	0.5
393.09985	0.4
394.10654	10.5
394.15631	0.6
395.11307	3.9
396.11990	1.0
397.13007	4.4
398.13464	0.4
409.13031	5.1
410.13654	0.5
412.11737	18.3
412.73090	0.4
413.12125	2.7
427.14056	100.0
428.14420	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	427.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01260	2.2
61.98758	0.4
71.01254	0.8
71.59803	0.7
99.92491	1.1
101.30931	0.4
109.02854	0.5
115.91974	1.9
116.92770	1.7
118.92912	0.5
121.02824	0.6
133.02878	0.7
135.04420	0.4
148.01610	1.0
149.02307	0.7
149.52113	0.5
157.21336	0.4
202.02606	0.5
202.86433	0.4
214.02745	0.7
215.03473	1.1
216.28331	0.4
218.62558	0.5
227.03513	0.8
251.07127	0.5
255.06628	0.6
267.06723	1.0
268.07285	0.6
271.85742	0.4
279.06757	0.9
307.06158	1.2
311.05759	0.9
312.06326	1.3
321.07736	0.5
322.05090	0.6
323.05652	11.9
324.06210	1.9
325.07080	1.7
335.05716	8.2
335.09360	0.6
336.06091	1.1
337.07159	1.1
337.10919	0.7
341.06436	0.7
351.08759	0.7
352.09387	2.6
353.06711	6.8
353.10593	1.0
354.06934	0.7
363.08698	1.1
364.09494	2.6
365.10428	3.1
365.23367	0.9
366.10623	0.8
376.09387	0.9
377.10599	2.2
379.11978	1.3
381.09735	1.0
382.10620	9.2
383.11041	1.5
383.27997	0.5
389.72928	0.5
391.12207	1.3
393.09961	0.6
394.10605	8.0
395.11389	3.3
396.11908	1.1
397.12955	3.2
409.12912	4.4
410.13873	0.6
412.11713	20.9
413.12091	2.3
427.14041	100.0
428.09064	0.8
428.14465	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	427.1405
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
54.30949	0.3
57.41044	0.3
59.01262	9.3
60.01591	0.4
61.98712	1.2
71.07685	0.8
90.69817	0.3
109.51986	0.3
121.02866	0.4
133.02850	0.4
148.01588	1.1
150.03148	0.6
163.04155	0.4
185.06161	0.4
202.02527	0.4
205.08673	0.4
214.02657	0.9
215.03404	0.8
226.02713	0.5
235.09802	0.3
239.07123	0.3
241.05124	0.3
255.06712	0.4
267.06677	0.8
275.20340	0.5
279.06766	0.7
295.06104	0.8
307.06107	0.6
307.09549	0.4
311.05542	0.9
312.06442	0.6
322.04816	0.9
323.05667	11.7
323.09152	0.4
324.06131	1.4
333.11420	0.3
334.05148	0.3
335.05682	8.2
335.08960	0.3
336.06137	1.2
337.07217	0.7
349.07141	0.4
351.08789	1.1
352.09641	2.3
353.06702	6.0
353.10629	0.7
354.06967	0.5
363.08786	0.9
364.09586	3.0
365.10345	3.3
366.10898	0.4
367.12051	1.0
376.09753	0.4
377.10178	2.2
379.11945	1.3
381.09897	1.7
382.05899	0.6
382.10663	9.5
383.11203	0.6
393.09131	0.3
394.10602	8.5
395.11285	3.1
395.16406	0.5
396.11899	0.4
397.13000	4.8
398.13150	0.5
409.12952	5.1
410.13373	0.6
412.11737	16.9
413.11945	2.4
425.12607	0.7
427.14026	100.0
428.14423	12.8
428.20370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01607	0.9
69.51343	0.6
69.51748	1.7
69.66861	0.3
71.84969	0.3
79.10499	0.3
82.67509	0.3
98.20574	0.5
102.92548	0.3
109.02864	0.3
118.14958	0.3
123.04338	0.3
291.19748	3.3
425.12604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22381	0.5
59.01265	100.0
59.13701	0.5
60.01596	1.0
61.98713	0.6
63.86446	0.6
64.92420	0.7
70.74646	0.6
71.11764	0.6
71.52419	0.6
75.34769	0.6
84.72163	0.5
249.66112	0.6
257.20850	0.6
291.16861	0.7
291.19632	3.7
348.39569	0.7
364.09418	0.7
425.12784	4.4
426.13232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1404
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
58.47748	0.3
58.56736	0.3
59.01266	1.9
61.98709	0.6
70.10744	1.4
75.83447	0.3
81.06248	0.3
92.82509	0.3
95.04860	0.3
97.06325	0.3
99.00760	0.4
109.02860	0.6
121.02863	0.5
123.69987	0.3
126.55755	0.3
133.02931	0.4
136.09044	0.3
147.71846	0.3
148.01572	1.6
149.02309	0.9
150.03151	0.4
174.03169	1.6
186.03108	0.7
202.02692	8.1
203.03329	1.4
214.02692	2.3
215.03331	0.5
230.02127	0.4
235.09688	0.9
239.07176	1.2
251.07140	0.5
252.04410	0.4
255.06662	0.8
266.06024	0.4
267.06659	3.1
268.03864	0.3
268.07147	0.5
269.04703	0.4
279.06650	2.4
283.06174	1.6
284.06796	0.4
293.04645	0.7
294.05362	0.5
295.06168	2.0
296.03268	1.0
296.06479	0.4
297.04340	0.5
297.07742	0.8
305.04840	0.3
310.04868	0.9
311.05667	8.7
312.06332	2.7
313.07108	0.5
322.04730	0.5
323.05615	4.9
324.06445	2.4
325.07196	0.6
326.07855	0.6
338.04056	0.4
339.05170	1.6
341.06677	2.1
342.07312	0.4
351.04993	1.6
353.10410	0.4
355.28586	0.6
358.06915	1.2
364.09811	0.5
365.10248	0.7
369.06277	0.7
379.12091	0.3
381.09845	1.4
382.10654	12.7
383.11185	1.8
393.09863	0.3
394.10626	17.0
395.11191	2.7
397.13062	1.8
409.13049	4.4
412.11719	25.9
413.12036	2.8
427.14035	100.0
428.14383	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	425.1834
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
55.01761	0.9
57.03334	2.5
59.01265	12.0
59.08488	0.7
61.98713	2.3
69.03334	1.1
69.37164	7.0
71.01273	12.2
73.02844	1.8
73.25593	0.8
79.05413	1.3
81.03329	1.2
83.01278	1.7
83.04918	3.0
85.02848	4.6
87.00764	1.6
89.02320	2.2
93.03366	1.2
93.06997	1.0
95.01286	1.5
95.04917	3.0
96.05494	0.9
97.02856	9.6
97.06480	2.4
101.02351	4.1
105.07009	3.1
107.04947	4.4
108.02112	1.0
108.05714	5.2
109.02847	6.7
109.06541	3.6
111.04424	9.6
111.08061	2.7
113.02361	7.6
113.06000	8.3
117.03378	1.7
119.03349	1.0
119.04939	1.8
119.08575	2.9
119.13678	0.7
121.06525	3.7
122.03674	7.8
123.04517	1.5
123.08099	7.3
124.05225	1.4
124.57258	0.8
125.06004	16.1
126.75174	0.8
135.04440	1.8
135.08066	2.4
136.05237	11.0
137.06020	5.4
137.09644	1.3
138.06801	14.8
139.07584	34.1
140.07919	1.2
145.06482	2.1
147.08101	1.2
148.05249	4.6
149.06015	4.8
151.07591	63.2
152.04756	7.6
152.08379	26.9
153.05518	1.2
153.09158	13.5
159.11739	2.7
161.09685	5.2
163.07596	8.7
165.09184	1.2
167.07112	3.7
170.05783	1.3
175.07590	1.2
175.11224	1.0
177.12872	0.9
183.11729	1.0
185.09729	1.3
186.10451	1.7
188.08354	1.7
189.05498	4.0
189.09171	3.3
201.12840	25.0
202.10045	1.2
202.13161	1.7
203.10745	13.6
204.11537	42.0
205.11867	2.2
215.10809	0.8
219.13896	62.8
220.14238	4.6
225.12926	0.9
227.10837	1.5
228.11584	3.4
243.10417	1.3
243.13951	6.4
245.11865	13.9
246.12117	1.2
263.12930	100.0
264.13254	8.3
272.10651	1.1
287.12970	11.2
305.14014	6.4
335.05591	1.6
425.09064	3.7
425.18307	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	425.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58552	0.3
59.01256	1.0
69.20109	2.8
70.42117	0.3
73.55032	0.2
73.61423	0.3
76.71082	0.3
78.95792	0.5
87.22210	0.3
91.90967	0.3
93.03338	0.4
96.95911	0.9
96.96858	0.9
104.63330	0.3
109.02865	0.8
117.03471	0.3
121.02882	1.0
123.04414	0.3
132.02055	0.4
133.02867	0.8
135.04434	0.9
135.10294	0.2
135.46228	0.2
144.48996	0.3
145.02856	0.4
147.04445	0.3
148.01599	2.5
149.02396	1.0
175.03984	0.4
188.04729	0.4
188.22212	0.3
189.01895	0.7
197.06050	0.4
198.03197	0.3
199.03880	0.4
201.01845	0.6
202.02695	1.0
203.03392	0.7
205.08551	0.3
211.03949	0.5
211.07745	0.3
214.02748	1.4
215.03488	1.8
219.02878	0.4
226.02711	1.0
227.03537	1.0
229.05119	0.5
230.05548	0.3
237.05629	0.4
239.07187	0.4
241.05153	0.5
243.06425	0.4
249.05542	0.4
251.03442	0.4
251.07196	0.7
252.04364	0.3
253.05200	0.8
254.05835	0.5
255.06653	0.8
256.07220	0.3
262.06384	0.3
263.07013	0.5
265.05182	0.7
266.05698	0.3
267.03198	0.4
267.06665	1.8
268.03781	0.4
269.04584	0.5
277.05142	0.7
279.06546	1.4
281.04642	0.8
281.07922	0.3
282.81818	0.3
283.06027	0.6
289.08942	0.4
291.06683	1.1
293.04565	0.6
294.05289	0.5
295.03198	0.3
295.06238	1.7
296.06659	0.5
297.03900	0.4
297.07571	0.3
305.04675	0.6
305.08127	0.6
306.05414	0.4
307.06204	2.4
307.09604	0.5
308.03369	0.5
309.04236	0.4
309.07617	0.4
310.04883	0.7
311.05591	1.6
312.06412	1.7
313.07227	0.3
317.04584	0.3
317.08054	0.4
319.06158	0.7
319.09940	0.5
322.04858	1.3
323.05679	14.5
323.09116	0.5
324.06235	2.7
325.07214	1.3
326.08102	0.4
333.07706	0.4
334.04846	0.8
335.05704	10.1
335.09375	1.1
336.05975	1.1
336.09912	0.6
337.07220	2.6
338.07877	0.4
341.06699	0.3
342.07562	0.7
345.07822	0.4
347.09369	1.0
349.07214	1.0
350.07996	0.4
351.04984	0.4
351.08856	1.7
352.05789	0.4
352.09549	4.8
353.06686	10.8
353.10062	0.7
354.07074	1.1
358.07162	0.7
362.08051	0.8
363.08899	1.5
364.09583	4.5
365.10504	2.4
366.10825	0.5
367.08243	1.2
367.12280	0.4
374.06970	0.6
375.08728	0.5
376.09714	1.0
377.10529	0.6
379.08130	0.8
379.12292	0.4
380.09073	4.9
381.09698	1.6
382.10620	3.4
392.09113	8.5
393.09671	2.3
394.10620	3.0
395.11475	2.3
397.12970	1.6
407.11349	3.5
410.10159	16.3
411.10468	1.8
423.10843	0.4
425.12512	100.0
426.12860	12.0
426.18723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.11
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25663	0.5
57.03327	0.7
59.00993	0.7
59.01266	7.1
61.98710	1.6
65.00211	1.1
68.99702	4.2
71.01262	2.9
71.51962	0.6
72.99171	0.6
73.02829	1.0
75.00775	0.6
79.05396	0.7
79.07243	0.5
83.01281	2.2
85.02855	1.6
87.00758	0.6
89.02325	1.9
91.73776	0.7
93.03368	1.9
96.16978	0.6
98.90785	0.6
101.02339	1.9
104.68380	0.5
105.07008	1.6
107.04951	3.5
108.02083	0.8
109.02819	0.9
111.00819	1.0
113.02370	1.3
117.03342	1.7
119.04943	0.9
121.02896	0.6
123.08031	0.6
125.02327	0.8
129.07022	0.8
131.04944	1.9
133.06503	1.2
135.04489	0.8
137.02347	2.8
147.08064	4.5
149.06026	8.3
152.01088	0.7
157.52013	0.6
160.81566	0.6
161.02417	0.6
173.06068	3.5
175.04089	1.0
175.07658	3.7
177.01814	0.6
187.42024	0.6
191.07108	21.1
192.07533	0.9
201.05553	0.7
211.65733	0.6
215.07172	0.7
217.01814	0.6
217.05058	14.4
218.05507	1.1
219.06622	100.0
220.06923	6.5
227.07118	3.1
245.04568	8.0
261.07727	1.1
271.45505	0.6
294.12723	0.7
307.06293	0.7
320.06433	0.7
321.10489	0.6
335.05627	1.0
353.12527	0.6
365.06702	0.9
366.10938	1.0
381.12070	9.0
382.12277	1.0
389.12045	0.7
425.10815	11.6
426.10660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81287	0.7
55.01774	4.1
57.03333	2.5
59.01263	32.9
61.98717	14.1
71.01267	44.0
71.10322	0.7
71.59753	0.8
71.60155	1.4
72.01590	0.7
72.99190	2.2
73.02831	21.3
75.00748	0.9
83.01274	9.2
85.02840	23.2
85.99967	1.4
87.00771	2.3
89.02333	8.9
95.01276	3.7
97.02840	1.3
99.00779	8.8
101.02344	38.7
101.08027	0.7
102.02699	1.5
111.00842	1.1
112.01589	1.0
113.02353	16.8
119.03403	2.2
125.02364	1.8
129.01854	1.1
130.00455	0.8
131.03442	2.0
134.88211	0.8
143.03445	1.7
149.02368	0.9
158.93869	0.8
159.02937	2.9
161.03256	1.0
161.04506	14.3
202.09979	3.7
243.06570	1.4
246.08992	3.4
261.11340	16.3
262.11667	1.6
291.18204	47.7
292.18536	3.3
342.08548	0.9
423.12863	3.2
423.22418	100.0
424.22827	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	423.2527
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
50.39108	0.2
57.22283	0.2
59.01257	0.2
71.07900	0.5
78.86273	0.2
78.92959	0.2
78.95794	11.3
93.89257	0.3
94.20815	0.2
94.98923	0.2
104.97376	0.5
110.98440	9.1
111.74551	0.2
116.02938	0.2
116.03815	0.2
129.13921	0.2
133.95351	0.2
152.99516	0.5
158.49091	0.3
167.01099	11.4
185.02159	2.1
195.22426	0.2
255.23323	100.0
256.23651	8.7
293.30316	0.2
341.24060	0.3
365.88983	0.2
419.99911	0.3
423.25284	26.5
424.25601	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	423.3127
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
57.03336	25.1
59.01265	4.8
65.71744	0.5
67.01778	4.3
69.03336	2.2
69.69328	2.3
69.69733	0.8
71.01256	0.8
71.04897	1.6
78.95770	0.8
80.02564	6.0
81.97676	0.6
83.01263	1.8
83.04908	0.6
85.02840	15.2
93.03345	2.3
93.80300	0.5
94.04134	1.4
95.01299	2.9
95.04924	13.1
97.02852	2.1
98.03632	9.0
111.00790	7.6
120.05712	3.4
121.06532	2.4
122.03640	0.5
123.00725	0.5
123.08095	1.0
137.06102	0.5
138.06808	1.2
139.03912	1.1
152.03615	0.5
152.04724	2.2
171.78555	0.5
185.02156	0.7
187.02525	0.9
279.27020	0.9
281.24887	0.8
283.26401	0.6
293.28531	1.0
297.27933	1.3
303.27017	0.8
307.30182	1.4
319.26697	0.6
319.30035	2.7
321.28061	5.2
321.31577	0.6
333.31616	0.9
335.29697	4.2
337.31134	4.7
351.32718	2.0
359.29446	1.6
361.31198	23.0
362.31546	3.7
379.32242	98.8
380.32602	12.5
405.29974	0.7
423.31244	100.0
424.26126	1.0
424.31580	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	423.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06041	0.3
51.42155	0.4
55.01772	5.8
55.11159	0.4
56.07188	0.4
57.03334	5.3
58.00485	3.1
59.01265	51.7
59.06036	0.4
60.01603	0.8
61.98715	5.1
64.65986	0.4
68.99708	0.9
69.03344	1.9
71.01269	76.7
71.60120	0.7
72.01601	1.2
72.99194	5.5
73.02836	30.2
74.03163	0.5
75.00761	1.8
79.50058	0.4
80.36052	0.4
81.03322	0.7
83.01277	14.6
85.02843	34.1
86.00010	2.0
87.00267	0.6
87.00764	4.4
89.02338	29.4
93.03365	0.6
95.01286	4.3
97.02840	3.3
99.00782	12.2
101.02343	70.2
102.02663	2.0
109.02872	0.4
111.00785	5.4
113.02357	26.8
114.02705	0.6
115.00275	0.4
115.03944	2.1
119.03394	1.3
121.02911	0.4
125.02368	5.1
127.11225	0.6
129.01857	1.3
129.12741	0.6
131.03421	17.3
132.03690	0.5
137.02380	0.5
143.03413	4.8
149.04500	6.7
159.02953	4.5
161.04504	22.5
170.82242	0.4
191.05548	1.2
205.03516	1.1
215.05708	0.8
233.06636	4.0
273.17206	1.1
291.18201	84.2
292.18552	7.0
293.08698	0.6
335.17291	0.9
423.22433	100.0
424.17096	0.5
424.22809	10.8
435.28546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1823
Annotation	Dorsmanin E
Peak:m/z	Relative Intensity
57.03321	2.2
58.56292	0.4
59.01259	0.4
60.38149	0.4
65.88564	0.4
69.23838	4.9
70.59928	0.4
73.87029	0.5
99.49386	0.4
107.04954	1.3
107.08589	0.9
108.02056	0.6
109.02854	2.2
109.06500	4.7
111.08089	0.7
121.02881	4.0
122.03651	1.1
123.04401	1.2
124.01582	13.8
125.09627	1.8
133.02881	10.6
133.06497	0.9
135.04445	1.5
137.02374	7.1
147.04407	0.8
148.01695	0.5
149.02382	9.0
149.06006	1.4
149.09637	3.5
150.03134	2.0
151.03882	1.1
151.07597	3.6
159.08075	1.5
161.02385	95.2
162.02707	5.0
163.03940	4.8
164.08325	1.1
174.10381	0.6
175.03941	3.3
175.07596	1.3
175.14856	0.7
177.05540	4.9
177.12828	1.0
178.05869	0.6
187.03917	0.5
190.09996	1.5
191.07104	1.2
192.07904	13.7
193.08659	2.4
193.15952	3.1
203.07149	2.9
205.08679	4.2
206.09387	0.7
217.08789	0.8
217.15977	11.8
218.09474	2.6
218.16345	0.9
218.29387	0.5
219.13927	1.9
233.15419	2.6
261.14999	100.0
262.15308	6.8
269.62820	0.5
301.14633	1.0
313.14484	1.7
314.14819	0.5
379.11810	1.1
423.18225	91.9
424.18564	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	423.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
61.98701	10.3
68.67374	5.6
70.76153	5.2
71.01265	33.8
71.53806	6.4
71.54179	6.5
72.99201	7.2
73.02842	15.7
74.69406	5.2
75.00771	6.9
78.43021	5.4
85.02870	13.3
86.54441	5.2
87.00797	7.9
89.02336	16.8
89.69320	5.7
93.54868	5.0
99.00761	9.0
99.04430	7.5
101.02387	31.1
105.34636	6.3
107.04926	5.7
113.02364	14.9
124.37804	4.9
125.02432	7.4
129.09132	15.6
150.03053	6.7
151.03915	5.3
160.04050	5.6
161.04485	10.2
165.05573	8.3
201.05618	5.8
243.06641	7.4
248.11653	6.6
249.13551	16.4
250.83235	5.4
258.97836	5.2
381.17801	16.2
405.27612	19.8
422.28375	11.7
423.18149	60.3
423.28775	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1801
Annotation	2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate
Peak:m/z	Relative Intensity
59.01266	100.0
61.98701	10.3
68.67374	5.6
70.76153	5.2
71.01265	33.8
71.53806	6.4
71.54179	6.5
72.99201	7.2
73.02842	15.7
74.69406	5.2
75.00771	6.9
78.43021	5.4
85.02870	13.3
86.54441	5.2
87.00797	7.9
89.02336	16.8
89.69320	5.7
93.54868	5.0
99.00761	9.0
99.04430	7.5
101.02387	31.1
105.34636	6.3
107.04926	5.7
113.02364	14.9
124.37804	4.9
125.02432	7.4
129.09132	15.6
150.03053	6.7
151.03915	5.3
160.04050	5.6
161.04485	10.2
165.05573	8.3
201.05618	5.8
243.06641	7.4
248.11653	6.6
249.13551	16.4
250.83235	5.4
258.97836	5.2
381.17801	16.2
405.27612	19.8
422.28375	11.7
423.18149	60.3
423.28775	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1798
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03330	32.7
58.63717	9.1
59.01266	100.0
61.75298	9.2
61.98720	58.9
67.41355	9.4
71.01276	54.0
71.58833	19.6
71.59169	10.7
75.00766	18.4
87.00777	18.3
89.02332	21.2
92.97488	8.8
99.04408	18.4
101.02377	24.1
106.89065	10.2
113.02370	17.8
115.00273	12.6
119.03424	10.3
119.04958	15.4
121.69136	9.3
125.02369	10.4
130.25301	10.0
135.04456	10.5
150.03094	23.2
163.03934	11.9
165.05478	30.3
248.43140	9.7
405.24713	20.8
423.17896	92.8
423.26093	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60558	7.2
57.03318	14.5
59.01266	56.6
61.98717	11.6
62.91772	7.3
69.36076	78.2
71.01270	25.2
72.99191	14.2
73.02838	11.2
73.72645	8.6
83.01282	14.1
84.97744	8.0
85.02834	12.2
87.00780	9.0
87.04418	8.8
89.02340	12.9
99.04472	9.8
101.02368	11.4
113.02383	8.5
116.00107	7.2
138.05540	100.0
149.02373	9.7
150.03192	21.1
161.04529	9.9
165.05464	22.1
195.06587	21.5
233.09293	10.0
261.12393	10.0
290.63040	8.1
305.11459	44.2
405.24908	31.3
410.57901	10.1
423.13690	8.5
423.18216	76.4
423.26208	75.7
424.26703	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	421.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.0
58.09648	0.3
59.01263	100.0
60.01605	1.0
61.98713	4.2
69.03349	0.6
70.81113	0.8
70.81487	0.5
71.01273	1.6
73.02842	0.8
85.02845	1.1
85.06487	0.6
87.00771	0.7
95.01313	0.4
99.00807	0.6
101.02363	1.0
103.82092	0.3
109.02882	0.4
115.18299	0.3
121.02879	0.5
125.02378	0.6
134.60291	0.4
143.10706	1.8
144.61859	0.3
152.01202	0.4
153.12862	0.4
173.11836	0.4
189.48856	0.4
211.09952	0.3
229.18124	2.2
230.18613	0.4
315.25629	1.1
343.28741	0.4
361.29666	30.4
362.29959	4.1
385.25146	0.4
403.27145	0.9
421.21158	1.3
421.28305	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	423.167
Annotation	Macrocliniside A
Peak:m/z	Relative Intensity
55.01762	0.2
57.03338	0.2
58.00476	0.5
59.01265	8.6
61.98716	0.4
69.40832	1.4
71.01271	4.5
72.99219	0.7
73.02834	0.3
83.01276	0.2
85.02844	1.3
87.00756	0.3
89.02333	4.3
95.01278	0.3
97.34925	0.1
99.00801	0.2
101.02345	2.5
104.62581	0.2
110.03633	0.2
113.02353	1.9
117.03408	0.3
119.03438	1.0
125.02435	0.2
134.61787	0.2
141.45428	0.2
143.03494	0.2
145.02895	0.8
147.04483	0.2
155.08611	0.2
157.06505	0.2
159.00752	0.2
159.04448	0.2
171.23793	0.2
173.02338	0.9
175.07634	0.4
179.05583	0.2
183.08096	0.5
185.02432	0.4
185.06056	1.1
185.09650	0.3
187.03963	1.9
198.03165	0.3
199.07622	6.5
200.08400	3.8
201.08995	0.5
202.09972	3.5
209.06030	0.4
211.03952	0.6
211.07637	1.2
212.04677	0.3
213.05536	2.2
215.10783	0.3
217.12347	1.8
218.12575	0.1
225.05563	0.2
227.07147	10.2
228.07922	46.3
229.08261	3.2
242.09703	0.2
243.10289	100.0
244.10660	8.1
245.08365	0.2
246.08926	0.3
259.13416	1.2
261.11362	13.6
262.11642	1.2
270.09006	0.5
272.37613	0.2
275.13174	0.3
285.11368	5.7
286.11752	0.5
303.12454	2.6
333.13474	1.0
363.14581	2.1
364.14835	0.3
423.05652	0.3
423.16684	9.4
424.04855	0.2
424.17221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.297
Annotation	6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid
Peak:m/z	Relative Intensity
57.03336	38.9
59.01268	6.2
60.89502	2.9
61.21807	2.6
67.01780	6.5
68.24802	2.8
69.32428	9.3
69.32850	20.9
78.95804	4.4
80.87148	2.6
83.01273	4.3
85.02859	2.8
93.03332	4.5
95.04929	24.2
118.74870	3.0
131.57956	2.8
185.02197	5.2
192.99225	2.6
226.76678	2.9
271.79968	3.1
277.21823	3.9
317.28775	4.3
319.26376	7.9
319.33514	3.3
333.28073	44.7
334.28171	3.1
335.29651	22.8
339.20032	4.2
359.29541	18.5
377.30707	100.0
378.30899	8.3
421.29666	79.0
422.29993	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	421.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	3.4
59.01265	100.0
60.01604	1.4
60.27517	0.4
61.98719	5.5
62.93570	0.4
68.99706	0.5
71.01270	4.4
72.99200	1.0
73.02835	1.7
75.00771	0.5
83.01279	0.8
83.04912	0.5
84.72099	0.4
85.02856	2.1
87.00790	1.1
89.02357	1.5
97.06499	0.4
98.19834	1.0
99.00791	1.0
101.02367	2.5
113.02377	1.3
125.02406	0.6
131.03496	0.5
143.10757	1.3
149.04568	0.6
151.03885	0.5
161.04546	1.0
181.98505	0.7
229.18306	1.3
289.16714	1.2
315.25653	1.5
361.29681	27.9
362.29974	3.5
379.23605	0.5
403.27255	1.7
421.14462	1.0
421.20871	2.7
421.27777	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	421.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.7
70.07246	2.7
78.95793	27.5
81.46789	0.5
98.20580	0.6
104.49821	0.5
110.98441	49.2
152.99545	4.5
155.35574	0.5
167.01051	0.7
185.02170	100.0
186.02498	1.7
253.21761	27.4
254.22128	1.8
259.18442	0.6
339.20139	0.9
421.23752	4.1
421.29291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84792	0.2
70.85110	0.3
109.02897	0.3
115.23560	0.2
121.02898	0.2
126.07619	0.2
133.02893	0.5
148.01555	0.2
148.64000	0.2
149.02382	0.9
149.80473	0.2
150.03197	0.3
151.03972	0.2
159.04498	0.2
177.01863	0.2
177.14989	0.2
187.03972	0.3
189.02002	0.4
202.02664	0.3
213.05457	0.2
214.02786	0.4
215.03516	0.7
215.06976	0.2
239.07095	0.3
241.05280	0.2
247.81900	0.2
251.07196	0.4
253.05029	0.3
267.06665	0.6
268.07355	0.3
269.04428	0.2
279.06613	0.7
281.04465	0.4
291.06665	0.3
295.06204	1.1
296.06964	0.3
297.04092	0.3
298.05099	0.3
305.52438	0.2
307.06235	1.2
307.09567	0.3
311.05734	1.9
319.09399	0.3
322.04886	0.4
323.05664	11.3
324.06000	1.2
328.06079	0.5
333.07797	0.3
335.05652	0.4
335.09360	0.4
337.07272	0.2
349.10928	0.3
351.08673	0.6
351.12439	3.3
352.13062	0.3
363.08902	1.7
365.10233	1.5
366.11133	1.8
377.10388	2.0
378.10773	0.5
382.10776	0.8
391.12201	0.3
393.16986	0.4
398.10144	3.8
399.10794	0.4
403.15579	0.5
405.13608	0.9
406.14026	0.4
421.16647	100.0
422.16980	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	421.1665
Annotation	Vogelin H
Peak:m/z	Relative Intensity
59.01261	1.0
63.29957	0.5
65.00214	0.4
67.01792	0.6
67.27582	0.4
78.95793	3.2
79.05428	2.0
80.96394	0.7
105.07011	1.6
107.04926	3.3
107.08572	0.5
109.02857	1.4
109.06499	4.1
110.98427	0.9
121.06499	0.6
123.04410	0.6
133.02887	3.8
137.02338	1.4
137.06030	0.6
147.08118	2.2
149.06009	1.3
151.07587	2.3
152.99501	3.5
157.06520	1.5
161.02388	31.6
161.06021	1.9
162.02762	1.3
162.06810	4.8
173.05911	0.7
173.13243	0.9
175.03931	2.0
175.11224	1.1
176.08446	0.8
185.02191	2.8
188.08383	1.5
189.05499	0.8
190.06322	3.4
195.36523	0.6
201.05554	1.1
203.07089	1.4
204.07843	0.7
213.12920	0.9
215.07179	0.5
215.14415	16.1
216.07898	1.3
216.14780	1.0
217.12303	1.2
231.13890	3.6
241.12367	0.8
253.21825	2.1
259.13440	100.0
260.13757	7.6
299.12949	0.5
378.85394	0.5
403.32443	0.7
421.16653	47.7
421.33356	2.0
422.16943	6.6
442.50238	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.3
66.90734	0.2
67.96413	0.2
69.39360	1.1
69.39765	0.5
93.03342	0.3
98.20680	0.2
113.34253	0.2
119.98335	0.2
129.07024	0.2
132.02199	0.3
133.02855	2.0
135.04488	0.5
159.04462	0.2
161.02373	0.6
173.06038	0.4
175.03961	0.3
177.01932	0.3
189.01793	0.5
189.09186	0.6
189.62543	0.2
203.03444	0.3
207.08063	0.2
213.05502	0.3
223.07579	0.6
235.07684	0.5
237.05597	0.6
239.07187	0.6
240.07916	0.6
251.07161	2.5
252.07724	0.5
253.05074	0.9
262.05908	0.2
263.07166	5.0
264.07574	0.4
265.04941	0.3
267.06686	2.4
268.07285	1.2
279.06616	1.4
280.07214	0.3
281.04651	2.8
291.10623	0.3
295.06186	8.9
296.06900	5.3
297.07172	0.3
307.06177	33.8
308.06540	3.4
315.61646	0.2
321.11365	0.4
322.12146	0.5
323.12863	0.2
328.05920	9.2
329.06265	0.7
333.07727	0.4
333.11508	0.3
335.09390	1.4
336.09967	0.3
337.10754	0.3
349.10873	2.1
350.11673	3.1
351.12436	27.6
352.12845	3.5
366.38333	0.2
382.10672	6.3
383.11148	0.5
385.14587	0.4
387.12302	0.3
398.10043	0.5
403.15591	6.0
404.15942	1.0
419.14963	0.3
421.16647	100.0
422.16986	12.9
422.22787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20595	0.1
61.35092	0.1
61.63219	0.2
62.53400	0.2
63.02273	0.4
65.00208	1.1
68.99679	0.2
75.44776	0.2
81.46762	0.1
85.14268	0.2
89.03844	0.3
93.03339	0.2
105.06994	0.3
107.04952	0.8
107.08577	0.4
108.02085	0.5
109.02867	0.6
109.06496	2.9
112.58678	0.1
117.61428	0.2
121.02849	0.6
123.04433	0.5
131.04906	0.3
131.08577	0.4
133.02879	4.6
133.06519	2.6
135.00812	0.3
135.04453	0.3
135.08102	0.6
136.01596	0.2
137.70511	0.2
145.02872	0.6
147.00827	0.3
147.04480	0.3
148.01585	1.1
149.01413	0.2
149.02405	2.5
149.05968	0.2
150.06810	0.3
151.07620	0.3
156.09399	0.2
157.02867	0.6
159.04463	0.4
161.02420	1.1
161.05946	0.3
162.02917	0.2
162.06807	0.2
163.07506	0.2
164.01099	0.2
165.01872	0.3
173.02466	0.3
173.05980	0.5
174.03246	0.2
174.06772	0.2
175.00328	0.5
175.03960	1.6
175.07608	0.4
175.14850	0.3
176.01091	1.2
176.08372	0.4
177.01904	0.9
177.09181	0.3
185.06039	0.6
187.03952	0.6
187.07605	0.5
189.01894	2.3
189.05559	0.4
190.02446	0.2
199.03969	1.2
199.07628	0.5
199.14871	0.4
201.01904	4.8
201.05460	1.0
202.02257	0.2
203.03394	0.2
203.07072	0.5
204.07840	0.4
209.06107	0.2
210.49011	0.2
211.03931	0.2
213.05609	0.2
213.09140	0.2
213.49449	0.2
215.03391	0.2
215.07173	0.3
215.14426	0.4
217.05023	0.4
218.05817	0.4
219.13908	3.9
220.14198	0.3
223.07449	0.2
225.09203	0.2
227.10626	0.2
229.05078	2.6
230.05602	0.2
231.06529	0.4
231.13890	0.5
237.05652	0.2
239.03441	0.2
241.05177	0.3
243.06644	0.3
243.10321	0.5
243.13875	1.4
244.07401	0.7
245.11899	0.3
249.09259	0.3
251.07254	0.2
253.05022	0.6
259.13422	0.6
265.05115	0.9
265.08524	0.3
267.03342	0.3
267.06686	0.3
267.10303	2.0
269.12054	0.2
279.06726	0.6
279.09998	0.3
280.10962	0.3
281.04575	0.6
282.05310	0.2
284.03415	1.3
284.10681	0.2
287.12952	7.8
288.13330	0.6
291.06738	0.5
293.08456	0.4
295.06223	0.4
297.04266	0.8
298.04755	0.5
307.06189	0.2
307.09869	0.6
308.10385	0.9
309.04120	2.0
311.05618	0.5
311.09207	0.2
321.07788	0.3
323.05701	2.7
323.09354	0.3
324.06119	0.3
335.05640	0.7
335.09164	0.3
335.16669	0.3
337.07281	0.7
349.18304	0.3
351.08752	0.6
352.09503	0.7
363.08817	0.8
365.10474	0.4
366.11053	0.4
377.10513	0.5
377.17581	0.6
393.17087	0.9
421.16647	100.0
422.16986	13.9
432.59354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1645
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
55.22627	1.8
57.03328	2.5
57.46907	1.8
59.01265	16.8
61.98717	4.6
71.01266	16.2
71.53380	3.4
72.99223	2.6
82.33344	1.8
85.02853	4.8
87.00758	2.7
89.02348	6.0
92.61460	1.7
93.03397	2.1
101.02359	4.6
112.40232	1.8
113.02351	5.4
119.03358	2.9
119.77952	2.2
137.02327	3.9
154.08678	2.0
161.04475	2.7
259.06097	2.4
280.51331	2.1
374.90793	2.3
406.24228	2.3
421.16461	100.0
422.17017	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	421.1305
Annotation	(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
Peak:m/z	Relative Intensity
57.03326	0.6
59.01265	5.2
61.98723	0.7
65.00195	1.0
65.03518	0.6
65.03837	1.3
67.01784	0.8
71.38737	0.6
71.39052	0.7
74.14633	0.5
83.04966	0.5
107.04910	1.4
108.02076	1.0
109.02861	4.7
109.06471	0.7
121.02841	1.0
123.04446	1.2
131.04919	1.2
133.02895	5.4
133.06511	1.9
135.04453	0.6
145.02936	0.7
148.01608	1.0
149.02393	2.5
157.02869	1.0
161.02390	0.9
163.72842	0.6
173.02448	0.7
174.03142	1.0
175.00281	1.4
175.03943	1.5
175.11266	1.0
177.01881	1.5
177.09177	3.7
187.04013	0.6
188.04770	0.5
189.01891	1.0
199.03978	1.7
199.16985	0.6
201.01924	8.1
201.05544	0.7
201.09196	3.3
202.02339	1.0
203.07060	0.6
210.00449	0.6
218.02304	0.7
219.10336	0.7
225.05479	0.7
229.04988	1.6
243.06621	0.7
243.10327	4.6
245.08203	4.5
255.06667	1.1
259.07318	0.6
267.06821	0.7
267.10287	2.5
269.08246	1.0
279.06610	0.8
282.05438	0.7
287.09326	3.1
291.06735	0.9
291.10245	0.8
307.09601	0.6
308.06903	0.7
309.04138	2.4
310.04504	0.6
315.46280	0.7
319.06024	0.6
319.09839	1.1
323.05719	1.3
335.05493	1.2
335.09216	0.8
351.08661	1.1
363.08661	1.8
363.12738	0.7
364.09421	0.6
377.14014	1.3
379.11996	6.1
380.12424	0.6
393.13452	1.6
421.12967	100.0
422.13318	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	421.1302
Annotation	(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
Peak:m/z	Relative Intensity
56.24377	0.2
57.03336	0.6
59.01258	3.3
59.56852	0.3
61.98709	0.4
65.00210	1.3
65.03853	2.3
67.01765	1.2
70.43485	0.9
70.43841	0.3
71.01295	0.3
83.04905	1.2
89.03875	0.4
89.16953	0.3
91.01801	1.0
93.03358	0.8
107.04948	1.5
108.02094	0.4
109.02856	4.8
109.06518	0.4
121.02869	1.0
122.03656	0.7
123.04447	0.5
131.04938	0.6
133.02873	6.9
133.06477	1.4
135.00699	0.3
135.04420	0.3
145.02888	0.6
146.03430	0.3
147.04546	0.4
148.01535	0.9
149.02365	2.4
151.03961	0.5
155.08655	0.4
157.02852	0.9
158.03612	0.3
159.04427	0.4
161.02330	0.6
173.02370	0.6
173.06018	0.4
173.09476	0.3
174.03128	0.7
175.00368	1.6
175.03955	1.3
175.07594	0.5
175.11232	1.8
176.01094	0.5
177.01849	0.9
177.09183	4.6
178.09526	0.3
181.67973	0.3
183.04514	0.5
183.08170	0.4
185.06058	0.3
186.06757	0.4
187.07510	0.4
189.01959	1.5
189.09094	0.3
199.04007	2.1
199.07620	1.7
199.11156	0.4
200.04819	0.4
201.00090	0.6
201.01921	9.0
201.05569	0.8
201.09183	2.5
202.02417	0.6
203.03505	0.3
215.07047	0.4
217.08684	0.8
219.10258	1.5
222.06845	0.3
223.07706	0.4
225.05573	0.6
225.09236	0.5
229.04985	1.5
231.02994	0.3
237.05583	0.3
243.03030	0.4
243.06671	2.2
243.10342	1.9
244.06819	0.3
245.08234	3.6
249.09299	0.3
251.07155	0.5
265.05109	0.7
265.08774	0.7
266.05862	0.5
267.06702	0.8
267.10306	4.4
268.10495	0.3
269.08133	0.7
279.06699	0.6
280.07526	0.3
281.04999	0.4
287.09406	1.4
291.06683	0.6
291.10382	0.3
293.04840	0.4
295.06345	0.4
307.06155	0.7
308.06918	0.6
309.04080	1.9
310.05045	0.4
319.09805	0.3
323.05676	2.0
333.11417	0.4
333.15323	0.3
335.05716	1.5
335.09229	0.3
335.12946	0.9
363.08945	0.8
375.12656	0.4
377.10187	6.0
377.14102	1.0
378.10687	0.5
379.11938	4.0
380.12531	0.4
403.11859	1.0
404.12622	0.4
421.13004	100.0
422.13348	12.2
437.58411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38710	11.0
59.01262	93.1
61.72667	10.5
61.98713	49.7
64.95125	13.5
66.94723	67.1
69.47905	45.0
69.48332	37.9
71.01263	55.2
78.91761	28.1
84.17772	10.0
86.02370	18.9
95.02398	18.9
96.95911	11.0
103.41351	11.2
109.04005	16.0
112.00294	52.0
122.02402	32.8
137.03500	53.2
141.01279	10.4
145.99042	12.6
351.19299	100.0
352.19754	11.4
353.19989	38.6
419.15204	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
61.98712	49.7
84.71114	29.2
154.82455	27.1
200.29451	28.0
419.15451	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.9
59.01265	100.0
59.27986	0.6
60.01612	0.8
60.06354	0.5
65.71495	0.4
69.03337	0.5
69.34951	5.2
73.75405	0.4
78.27295	0.5
85.02861	1.0
93.06988	2.8
101.02343	0.8
113.02358	0.7
142.11301	0.5
209.08380	0.6
229.18089	13.4
299.26120	0.6
359.28085	11.7
359.32321	0.9
360.28461	1.5
373.29688	0.8
404.21680	0.5
419.08032	0.7
419.30432	13.5
420.30603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.7
59.01264	100.0
60.01603	1.0
61.98705	0.2
63.71820	0.2
69.03352	0.2
69.24889	1.2
69.25313	0.7
71.01271	0.4
72.11699	0.2
72.99196	0.3
74.57034	0.2
75.00782	0.3
82.57542	0.2
85.02876	0.4
85.06490	0.3
87.00797	0.3
93.06426	0.4
93.06991	3.5
125.09697	0.3
129.01891	0.4
133.44679	0.2
135.02907	0.6
143.10703	1.7
171.51314	0.2
181.16104	0.2
211.17105	0.5
218.81477	0.2
229.18092	17.7
230.18463	1.1
261.77209	0.2
294.97638	0.2
299.26089	0.7
359.28104	18.4
360.28439	2.4
373.29913	0.3
419.25342	0.4
419.30389	7.8
420.30679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19083	0.2
57.03331	0.5
58.38748	0.2
59.01272	2.9
69.03352	0.3
71.01264	1.3
71.04941	0.3
71.54131	0.2
71.54518	0.3
72.99191	1.2
73.02857	0.6
77.03873	0.3
81.03349	0.3
83.01292	0.3
83.04913	0.3
84.09529	0.2
85.02869	0.3
87.00768	1.0
87.04391	0.2
89.02356	0.6
93.03371	0.6
95.04945	0.3
97.06481	0.2
99.00793	0.2
101.02355	0.7
105.03352	1.9
107.04953	0.2
108.02068	0.2
109.02879	0.3
111.00816	0.2
111.08122	0.2
113.02361	0.4
121.02889	0.3
123.04438	0.3
123.08046	0.2
125.02374	0.5
129.09149	0.2
133.02866	0.5
135.04500	0.2
137.02399	1.0
137.09578	0.2
139.07550	0.3
147.04437	0.4
148.05232	0.2
150.03214	0.4
151.03954	6.7
152.04303	0.3
155.10809	0.3
156.98999	0.2
161.02391	31.6
162.02722	1.5
165.05511	0.3
166.02625	0.3
169.27481	0.2
173.11806	0.3
175.03940	0.2
176.04752	25.7
177.05119	1.4
179.03461	44.7
180.03789	2.2
187.94421	0.2
189.07632	0.3
191.07109	8.2
192.07507	0.5
193.05020	0.4
194.05818	37.1
195.06169	1.6
209.08183	100.0
210.08508	5.8
329.23495	0.5
390.07950	0.2
401.25479	3.2
401.33945	0.2
402.25861	0.4
419.09955	0.6
419.26526	11.9
420.26886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12965	1.6
55.51096	1.8
59.01263	13.4
61.98707	3.0
71.56132	2.4
78.97436	1.7
89.27039	1.7
101.73824	1.8
117.03407	1.9
126.74605	1.8
133.02925	2.1
141.98206	81.9
267.06836	3.7
307.06320	4.4
361.10892	16.3
362.11472	3.8
391.15598	4.0
401.14252	4.5
404.61475	2.0
419.15137	70.7
420.05304	100.0
420.15460	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	419.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66404	0.3
57.03334	0.5
59.01268	5.3
61.98719	0.4
64.67752	0.2
65.03214	0.2
71.01270	1.6
72.99201	0.9
73.02831	0.6
75.00797	0.3
75.72306	0.2
77.13469	0.3
83.01294	0.4
83.04964	0.3
85.02853	0.6
87.00778	0.9
89.02335	1.5
92.96890	0.2
93.03328	0.4
98.19769	0.6
99.00781	0.4
101.02347	1.1
105.03352	1.5
105.35370	0.3
107.04969	0.3
108.02071	0.3
109.06532	0.4
113.02391	0.4
121.02908	0.3
123.04419	0.4
125.02380	0.9
131.03424	0.5
133.02882	0.9
135.04430	0.5
137.02304	0.4
139.21622	0.2
143.10721	0.3
149.04533	0.6
151.00296	0.3
151.03961	5.4
152.01079	0.3
152.04294	0.4
152.22351	0.3
161.02391	29.2
162.02769	1.5
165.05502	0.3
166.02592	0.3
170.02657	0.3
176.04745	19.4
177.05124	1.1
179.03462	47.2
180.03830	2.4
189.07631	0.6
191.05757	0.4
191.07121	8.5
192.07460	0.6
193.04982	0.4
194.05821	55.8
195.06146	2.9
202.12169	0.3
209.08185	100.0
210.01692	0.6
210.08511	4.7
281.06790	0.3
371.24426	0.9
383.24426	0.6
401.25531	2.1
419.26489	8.8
420.26727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.3
62.65274	0.3
71.01300	0.3
71.53656	0.5
78.95789	1.5
79.05413	0.5
91.18849	0.3
93.03362	0.7
107.04923	0.5
109.02873	0.9
115.35345	0.3
116.46323	0.3
121.02856	0.5
123.04458	0.3
135.04463	0.3
139.03920	0.9
142.84804	0.3
148.01605	1.1
149.02399	3.2
150.03265	0.4
150.67654	0.3
152.99544	2.4
185.05995	0.4
197.06139	0.3
210.20305	0.3
225.09209	0.7
226.09776	0.4
235.16393	0.3
255.06773	0.8
261.09116	0.5
267.06497	0.5
287.36850	0.4
305.08203	0.5
319.09970	0.4
323.05588	0.9
335.09192	0.8
346.08807	0.4
347.09247	0.9
349.07297	0.9
361.07266	0.5
363.08783	1.6
364.09534	1.0
375.08731	0.9
378.07285	0.4
386.11548	0.4
391.15451	0.5
396.08679	1.8
401.14008	5.1
402.14459	0.6
403.11987	2.0
404.12979	0.6
419.15100	100.0
420.15427	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	419.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.6
71.52473	0.7
89.30651	0.5
91.32821	0.5
93.03371	1.0
98.20471	0.5
105.07004	0.8
107.04943	1.4
109.06480	0.5
117.03378	5.1
119.04941	0.9
133.02858	3.2
133.06494	2.6
148.01587	0.8
149.02383	1.2
152.99530	1.6
157.06470	0.5
169.10190	0.6
175.03958	1.6
177.02010	0.6
187.04021	0.9
201.01897	2.5
210.67009	0.4
217.12332	2.5
225.09258	0.5
227.03288	0.6
231.98334	0.6
239.07372	0.6
241.12431	1.9
257.11987	0.7
267.06741	0.6
283.06555	0.5
283.09872	1.5
285.08038	1.1
285.11420	3.7
291.06628	0.6
325.10880	1.0
361.11014	3.1
377.13931	0.7
401.13971	8.0
402.14600	1.0
403.12067	0.7
404.13116	0.5
419.15137	100.0
420.15497	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	419.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26240	0.4
51.64515	0.4
59.01271	0.5
69.20770	2.0
69.21201	2.1
79.05431	0.9
88.60697	0.4
91.09827	0.4
93.03327	1.1
98.19834	0.7
107.04936	0.7
117.03416	1.0
119.04901	0.8
123.04452	0.9
131.04903	0.5
132.02103	2.5
133.02905	2.0
135.04420	0.9
157.06537	0.6
159.04422	0.6
169.06512	0.9
171.08037	0.7
173.06007	0.5
185.05992	1.0
187.07616	1.3
197.06050	0.7
211.07738	0.7
213.05545	1.8
214.06224	0.5
215.03465	1.7
215.07060	0.6
221.09705	0.6
227.07085	1.2
229.05011	0.9
237.05608	0.7
239.07153	1.0
239.10844	0.9
241.05060	3.2
242.05675	0.8
245.09682	0.8
254.05838	1.0
255.06667	8.2
256.07410	4.9
257.11871	0.8
261.09219	0.7
263.07144	0.6
267.06757	0.4
275.07104	0.5
275.10730	0.6
288.07867	0.6
289.08844	1.1
291.10303	0.6
301.08939	0.5
303.07162	0.4
303.10178	1.9
304.10880	1.0
305.04736	0.7
305.08261	1.2
305.11914	1.4
306.05325	0.8
307.06168	1.8
319.06204	0.8
319.09778	1.7
320.10434	0.7
330.09006	0.6
331.09824	4.9
332.10489	0.6
333.07800	3.2
334.08408	1.7
337.14276	0.5
347.09238	5.4
348.10089	7.2
349.10861	21.3
350.11179	1.6
380.09113	3.1
391.15701	0.6
401.14023	4.4
402.14502	0.5
419.15085	100.0
420.15430	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	419.151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20041	0.1
58.60340	0.1
59.01256	0.4
70.81725	0.2
70.82089	0.2
72.05241	0.1
79.05406	0.3
93.03355	0.7
107.04946	0.8
109.02878	0.6
109.06464	0.2
111.55585	0.1
119.01327	0.1
121.02879	1.4
123.04408	0.3
131.04961	0.3
133.02867	1.2
133.06541	0.3
135.04440	1.0
139.03891	0.4
143.08620	0.2
145.02853	0.3
147.00836	0.3
148.01616	0.9
149.02383	1.5
150.03107	0.4
151.03911	0.2
159.04404	0.1
160.01537	0.1
161.02353	0.3
173.02385	0.2
173.06062	0.2
175.03990	0.4
181.06546	0.1
183.04471	0.2
183.08093	0.1
185.06024	0.4
187.03935	0.2
187.07613	0.2
194.18394	0.1
197.06041	0.5
199.03951	0.3
201.01880	0.4
203.07133	0.2
207.08226	0.1
209.06020	0.2
211.04056	0.2
211.07655	0.4
212.04834	0.1
213.05544	0.2
215.03467	0.2
217.12363	0.4
223.07599	0.4
225.05663	0.3
225.09175	0.2
226.06277	0.1
227.03467	0.3
227.07159	0.2
229.05042	0.3
237.05614	0.5
239.07155	0.3
239.10765	0.3
241.05133	0.5
241.08699	0.1
241.12410	0.4
242.05739	0.1
247.07582	0.2
249.05531	0.4
250.06212	0.1
251.03497	0.2
251.07166	0.2
251.10847	0.2
252.04295	0.2
253.05162	0.2
253.08647	0.1
254.05977	0.2
255.06648	2.6
255.09528	0.2
255.10466	0.2
256.07013	0.3
261.05280	0.1
261.09323	0.4
262.09906	0.2
263.07120	0.2
263.10577	0.1
265.04819	0.2
265.08823	0.1
267.06677	7.8
268.07092	0.8
269.08301	0.3
269.11755	0.2
273.09348	0.2
275.07251	0.3
275.10703	0.2
277.08792	0.5
278.09473	0.2
279.06903	0.2
279.10184	0.2
281.08182	0.3
283.09787	0.1
285.11465	0.3
289.08810	0.3
290.06058	0.1
291.06674	0.4
291.10098	0.3
293.04773	0.2
293.08362	0.4
293.11908	0.4
294.09067	0.2
295.09650	0.8
301.08685	0.2
303.06915	0.2
303.10321	0.3
304.07410	0.2
304.11096	0.2
305.08231	0.5
306.08972	0.2
307.06192	0.2
307.09869	0.3
309.11365	1.7
310.12192	1.2
311.12979	1.3
312.13065	0.2
315.06958	0.1
316.07446	0.2
317.08255	0.4
317.11639	0.2
318.09018	0.3
319.02682	0.1
319.09787	0.7
320.03412	0.1
320.10349	0.2
321.07730	0.6
322.08304	0.2
323.05899	0.1
329.08176	0.2
330.09024	0.2
331.09787	0.4
332.10599	0.3
333.04196	0.2
333.07758	0.5
333.11121	0.2
334.08386	0.1
335.05539	0.3
335.09351	0.6
336.09988	0.2
345.07816	0.2
345.15182	0.2
346.08377	0.2
347.09409	0.5
348.09811	0.2
349.07187	0.6
350.07889	0.5
351.08459	0.2
359.09149	0.2
361.07159	0.5
361.10852	0.3
361.14670	0.2
363.08786	1.0
363.15875	0.8
364.09531	0.8
365.10260	0.1
373.14572	0.6
375.08496	1.0
375.16388	0.6
376.09409	1.3
377.09906	0.2
389.10165	0.6
391.15628	5.2
392.16010	0.7
396.08826	0.2
401.13965	1.1
402.14572	0.2
403.12054	0.6
404.12589	1.0
417.13589	0.4
418.14215	0.3
418.34070	0.4
419.15076	100.0
419.34998	1.4
420.15414	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	419.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
59.01263	11.2
61.98708	1.8
71.52399	1.7
77.38927	0.8
93.03356	2.2
103.88193	1.0
107.04946	1.1
109.02870	4.9
113.49850	0.9
115.75837	0.9
117.03360	2.7
121.02873	1.7
123.04459	1.6
125.02477	0.9
129.37930	0.9
132.02112	2.0
133.02878	7.4
135.04453	9.3
135.16516	0.9
155.08609	2.3
159.01494	1.4
162.28343	0.9
181.06593	1.4
183.08205	2.1
187.07610	1.3
209.05943	1.5
215.10742	1.1
225.05551	1.8
227.03439	1.7
239.07219	2.3
249.05594	1.1
253.05110	1.9
267.06671	15.9
268.07300	3.4
271.11182	1.0
275.79291	1.0
277.18228	1.3
287.10828	1.4
299.10852	2.2
301.08783	1.2
302.09451	1.0
308.10806	1.0
315.10385	1.3
317.11905	5.1
318.09152	1.1
325.10861	1.1
326.11279	1.0
333.11368	2.2
337.14539	8.9
343.09796	13.9
344.10385	1.6
345.07651	4.2
346.08331	1.2
359.28656	1.0
360.10126	4.9
361.10867	100.0
362.11215	10.8
381.59393	1.1
383.13474	1.1
401.14114	9.6
418.30634	3.4
419.15112	85.9
419.31754	10.0
420.15393	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	419.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.5
65.00207	2.8
65.03836	0.3
68.99702	0.2
70.06254	0.6
70.06681	0.3
79.05428	1.7
89.03875	0.4
91.01782	0.2
91.64945	0.2
92.44873	0.2
93.03362	0.2
95.04930	0.2
103.05441	0.5
105.06998	1.1
105.34115	0.2
107.01302	0.4
107.04939	3.3
108.02080	0.8
109.02837	0.7
109.06499	1.5
113.31068	0.2
118.04108	0.2
121.02860	0.8
123.04416	0.5
124.01571	0.2
129.06995	1.0
131.04947	1.9
133.02885	7.0
133.06522	7.2
135.04459	0.3
136.01579	1.2
136.98729	0.4
143.04942	0.2
145.02931	0.3
145.06509	0.2
147.00850	0.3
148.01540	0.9
149.02379	2.4
149.06010	0.5
150.30542	0.2
151.00301	0.5
151.03856	0.3
153.07100	0.3
157.02876	0.6
157.06522	0.5
159.04491	0.7
161.02400	1.4
161.06020	0.4
163.00319	0.5
170.07278	0.2
171.04501	0.5
172.05247	0.8
173.02440	0.6
173.05952	0.9
173.13338	0.3
174.03215	0.3
174.06897	0.2
175.03934	1.7
177.01884	0.5
179.33205	0.2
181.10184	0.3
185.02293	0.2
185.06044	0.8
186.06813	0.4
187.04004	1.3
188.04674	0.3
193.10107	0.2
195.11754	0.4
197.06010	0.8
197.09691	1.1
197.13332	0.5
198.06799	0.5
199.03990	0.5
199.07726	0.3
199.11264	0.6
201.01921	6.7
201.05597	0.6
202.02377	0.2
202.06331	0.7
211.07745	0.4
211.11264	0.2
213.05544	0.4
213.09097	0.3
213.12906	0.5
214.06310	0.2
215.03470	1.1
216.04265	0.6
217.12320	3.7
218.12662	0.3
223.07550	0.3
223.11169	0.4
225.05682	0.3
225.09256	0.7
226.09915	0.5
227.03455	0.5
227.07133	0.4
229.01451	0.3
229.05081	0.4
229.12334	0.5
237.09128	0.2
239.10777	1.0
241.05019	0.7
241.08690	0.5
241.12346	6.5
242.05833	0.8
242.09302	0.3
242.12628	0.8
243.10263	1.6
244.03787	0.3
249.09242	0.3
251.10843	0.2
257.11862	2.6
258.12241	0.2
263.07147	0.3
264.07675	0.2
265.08670	0.9
267.06912	0.3
267.10281	0.8
269.08170	0.2
277.08725	0.3
278.09528	0.3
285.11374	14.5
286.11697	1.5
289.08795	0.5
291.06790	0.5
297.04095	0.3
304.07611	0.3
305.08273	1.0
306.08902	0.5
307.06140	0.3
319.09784	0.4
320.10583	0.2
321.07861	0.4
322.08548	0.4
331.09991	0.3
333.07825	0.5
333.14645	0.2
335.05695	0.4
335.09604	0.2
336.10031	0.5
347.09479	0.2
347.16730	0.3
349.07309	0.6
349.14688	0.2
350.08264	0.4
357.14819	0.2
359.12704	0.3
363.08740	0.2
375.08936	0.2
375.16104	1.6
376.16293	0.3
391.15607	1.0
401.14001	0.3
419.15076	100.0
419.35522	1.2
420.15427	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1507
Annotation	Yinyanghuo A
Peak:m/z	Relative Intensity
54.28391	0.2
59.01259	1.6
62.48609	0.2
66.37822	0.2
66.75709	0.2
67.17754	0.2
67.24184	0.2
69.84236	1.6
79.05412	0.5
93.03339	1.1
94.04223	0.2
98.19801	0.5
99.89194	0.2
102.33806	0.2
107.04937	0.9
117.03384	1.1
117.30419	0.2
119.04922	1.0
121.02861	2.1
123.04428	0.7
127.69146	0.3
132.02103	2.4
133.02899	1.3
135.04442	0.4
149.02356	0.4
157.06564	0.3
159.04436	0.4
169.06528	0.4
171.04478	0.3
171.08044	0.6
173.06012	0.4
183.08159	0.2
185.06039	0.7
187.07605	0.8
197.06038	0.7
199.04001	0.3
209.06102	0.4
211.04097	0.3
211.07648	0.8
213.05516	1.6
214.06178	0.4
215.03503	1.8
215.07083	0.6
227.07188	1.2
228.07906	0.3
229.05095	1.4
237.05611	0.9
238.06343	0.5
239.07176	1.4
239.10764	0.3
240.04526	0.3
241.05066	3.2
242.05580	0.5
245.09735	1.0
249.05566	0.3
251.07082	0.4
254.05887	0.8
255.06668	10.8
256.07416	6.4
257.07602	0.6
257.11862	1.0
261.09158	0.5
262.06467	0.3
262.10062	0.3
263.07230	0.5
265.05029	0.3
266.05969	0.4
267.07068	0.3
275.07434	0.3
275.10800	0.5
277.08768	0.4
277.12689	0.3
282.28101	0.3
286.10181	0.2
287.10760	0.4
289.08722	0.8
290.09549	0.7
291.10214	0.7
292.11383	0.3
293.04459	0.3
294.05478	0.4
301.09070	0.3
303.10199	1.3
304.11053	0.9
305.04733	0.8
305.08170	0.7
305.11865	2.3
306.05463	1.6
306.08536	0.3
307.06088	1.0
307.09558	0.5
318.05612	0.4
318.09012	0.3
319.06143	1.0
319.09769	1.4
320.06436	0.3
320.10126	0.4
321.11304	0.8
329.08002	0.3
330.09003	0.5
331.09839	5.2
332.06796	0.6
332.10492	0.4
333.07785	2.3
334.08527	1.8
346.08508	0.4
347.09314	4.9
348.10046	7.8
349.10843	15.3
350.11124	1.7
376.75357	0.3
380.09042	3.4
381.09760	0.4
391.15576	0.5
401.13962	2.2
419.15079	100.0
420.06299	0.5
420.15433	13.1
420.27582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1147
Annotation	Isoglabratephrin
Peak:m/z	Relative Intensity
59.01270	2.5
61.98706	0.7
65.03848	0.8
67.01777	1.0
71.58957	0.4
77.51122	0.4
82.19917	0.3
84.57891	0.4
86.46909	0.4
93.03329	1.0
107.04910	0.7
109.02877	2.6
121.02906	1.8
123.04478	0.6
124.03529	0.5
131.05005	0.5
133.02869	1.8
135.04428	1.1
139.03879	0.8
148.01605	0.8
149.02357	1.6
151.03900	0.8
157.06474	0.8
175.04030	0.5
177.01953	0.4
197.06032	1.2
197.09700	0.5
199.04063	0.5
199.07610	7.5
201.05695	0.4
205.96887	0.4
209.06099	0.6
209.37373	0.4
213.09082	0.4
223.07649	1.8
225.05608	1.1
227.03383	0.6
227.07143	0.4
237.05600	0.5
239.07100	1.1
241.05089	1.3
241.08771	2.1
242.08961	0.4
243.06407	0.5
249.05603	0.6
251.07027	0.4
265.08884	0.5
267.06708	5.9
268.07141	0.8
269.08148	0.6
273.09213	0.7
288.08044	0.5
289.08679	0.6
291.06778	0.5
303.10165	0.8
309.07770	1.2
310.08398	0.8
311.09390	0.6
315.06699	0.5
316.07376	0.6
317.08231	1.5
319.06332	0.5
319.09830	0.7
321.04047	0.9
321.11389	0.6
331.09760	1.0
332.10324	1.0
333.07849	0.9
333.11511	0.7
335.05914	0.6
337.01733	0.4
337.10916	2.1
347.09238	0.9
349.10965	1.3
355.30145	0.4
357.28305	0.5
359.09387	0.8
361.07275	0.9
363.12531	1.1
364.05344	0.4
375.08765	0.9
376.09549	4.1
377.10355	4.2
378.10843	0.7
391.11942	8.8
392.12253	0.8
402.11102	0.5
419.11435	100.0
419.31924	6.4
420.11780	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	418.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	2.2
61.98719	100.0
66.49263	0.6
73.37286	0.6
92.15543	0.7
98.19829	1.5
108.02029	0.6
141.38019	0.7
201.02020	0.8
360.09656	1.3
386.38019	0.7
419.10818	5.0
419.16302	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	419.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76680	0.5
57.03309	0.9
59.01267	3.2
61.98706	2.5
65.03841	3.3
67.01772	1.6
69.50839	3.3
69.51253	1.3
71.01266	0.9
78.95795	14.5
79.05414	1.5
81.47047	0.5
83.04906	0.7
87.63882	0.7
89.03822	0.7
91.01773	1.5
95.71686	0.6
96.96850	2.4
98.20537	1.1
103.05421	2.0
105.03352	1.5
107.04926	2.8
108.02090	0.9
109.02852	11.1
109.03587	0.7
131.04930	2.7
132.01973	0.8
133.02884	16.0
134.03212	0.9
145.02914	0.9
147.04411	0.7
148.01508	0.8
149.02354	2.2
155.08566	0.6
157.02861	2.1
157.06483	1.5
173.09607	1.7
175.03961	1.9
175.07587	4.3
177.01897	1.3
177.17648	0.6
180.05885	0.7
181.06464	0.8
183.04460	1.7
197.05917	1.3
197.09608	0.8
199.07614	5.5
201.01918	12.9
202.02339	0.7
215.07094	1.2
216.18848	0.7
217.08669	1.9
221.09715	0.9
223.07675	1.1
225.05423	1.4
241.08707	8.1
242.05959	0.9
243.06639	8.1
249.05457	1.0
265.08670	1.5
267.06693	3.1
285.07758	10.1
286.08173	0.9
288.30099	0.6
317.08246	1.8
331.09567	0.7
357.11105	0.8
359.09177	1.1
361.06937	0.8
375.12442	1.3
377.10300	5.4
401.09967	0.7
418.23648	1.7
419.11337	100.0
419.23221	4.4
420.05310	2.7
420.11667	13.5
420.16879	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.3
59.01263	100.0
60.01583	1.1
71.01268	0.4
71.25773	0.5
88.98691	1.1
89.02379	0.2
181.05138	0.3
209.03909	0.2
283.06549	0.3
341.10434	1.2
417.28745	2.7
418.28940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3019
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
53.17232	0.5
57.03336	4.3
59.01268	3.8
61.98710	0.6
71.23759	1.2
72.65347	0.5
78.95798	6.6
85.06495	2.0
96.96870	1.1
135.04433	2.2
138.15240	0.5
138.90933	0.7
152.99522	13.5
265.68527	0.6
315.23196	0.8
331.26685	0.8
335.12701	2.4
341.24719	2.5
343.35992	0.5
355.26514	5.6
356.26910	0.8
357.28067	20.6
358.24258	0.6
358.28464	2.3
373.31131	4.2
377.05728	0.6
417.30203	100.0
418.30582	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	417.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.6
57.03332	2.3
58.00486	1.1
59.01263	100.0
60.01606	1.2
61.98726	1.3
69.03338	1.3
71.01267	46.7
71.17046	1.4
71.17381	1.1
72.99197	1.6
73.02835	12.4
75.00760	2.9
81.03349	1.4
83.01274	5.5
83.61650	0.8
85.02842	19.0
87.00790	2.1
89.02335	7.5
93.03382	1.3
95.00774	0.9
95.01255	3.9
97.02853	2.5
98.02392	1.0
98.11726	0.7
99.00797	5.9
99.04419	1.0
101.02345	29.1
102.02659	0.9
107.04903	0.8
109.02857	1.9
113.01164	0.9
113.02352	19.1
117.03417	1.0
119.03387	1.6
123.08034	0.9
125.02377	1.9
129.01848	1.3
130.08685	1.4
137.02374	3.4
143.03436	3.1
149.02393	0.9
149.09622	1.1
150.03151	0.9
151.00314	5.2
152.01100	1.5
159.02959	5.3
161.04498	57.4
162.04861	1.7
165.05479	0.9
165.09172	12.1
165.12785	2.2
166.02660	9.8
167.03372	0.9
169.50430	0.9
170.90446	0.8
175.45360	0.8
181.05014	13.7
205.03505	2.5
218.99416	0.9
237.00494	1.0
237.11339	4.4
357.15607	38.4
358.15900	2.1
378.01224	0.8
387.10849	1.8
387.22888	1.2
402.13165	1.3
417.08237	1.6
417.17972	14.0
418.17490	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	417.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
57.03338	1.4
58.00485	2.3
59.01266	100.0
59.49345	0.4
60.01604	1.4
61.98727	2.1
69.22929	4.4
69.23329	1.0
71.01272	32.8
72.01601	0.6
72.99203	2.1
73.02839	3.6
75.00760	0.9
83.00815	0.5
83.01283	1.8
83.04897	0.6
85.02845	8.7
87.00787	2.5
89.02340	28.2
90.02744	0.8
95.01296	1.7
99.00799	2.1
99.16836	0.6
101.02349	19.6
101.03012	1.0
103.00268	0.7
107.16393	0.6
113.02364	15.6
119.03423	12.1
125.02374	1.2
131.03488	1.6
143.03462	4.4
149.04515	1.0
151.00299	1.2
159.02980	1.6
161.04518	28.2
162.04854	0.7
166.02708	0.7
177.09160	4.6
179.05595	8.6
179.07010	0.8
181.05067	1.8
195.10281	1.9
205.03586	1.3
345.09976	0.6
357.15628	36.6
358.15897	3.6
417.08435	1.2
417.17599	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	417.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.7
57.03336	13.4
59.01263	100.0
60.01609	1.9
61.98718	31.9
71.01267	59.7
71.59056	2.1
72.99202	3.0
73.02837	19.4
73.70977	1.1
74.93888	1.0
75.00768	1.5
83.01290	5.4
85.02841	26.3
87.00771	2.6
87.04388	1.0
89.02326	7.7
89.64113	1.1
93.03366	1.2
95.01289	4.2
97.02834	2.8
99.00789	10.6
99.04422	12.8
101.02351	37.7
111.04427	18.5
111.08064	4.1
113.02358	26.3
113.03147	1.2
121.02853	10.4
123.04449	1.8
124.65154	1.2
125.02361	5.1
129.01862	1.3
129.45305	1.1
135.04393	1.5
137.02391	3.6
139.07573	36.2
140.07970	1.9
143.03461	4.6
151.00237	1.8
159.02960	7.9
161.04500	91.3
162.04810	1.9
166.02689	2.8
167.03496	1.2
181.05017	4.5
195.10269	11.7
203.56572	1.1
205.03525	3.1
300.39349	1.2
315.10678	1.3
357.15585	37.4
357.20044	2.0
358.15897	3.1
417.18024	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	417.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	26.3
58.93809	8.4
59.01264	100.0
69.63516	7.9
69.63882	56.1
70.05750	7.4
71.01257	56.6
71.28450	7.7
73.02840	29.4
75.00792	20.0
87.00784	15.8
89.02341	63.0
99.00792	44.1
99.04412	27.4
101.02339	30.7
101.10822	9.0
111.00806	13.7
111.04453	34.2
113.02357	23.2
123.04462	16.3
125.02360	11.9
131.03496	11.7
136.40039	8.3
137.02394	21.8
149.04459	74.1
161.04503	18.8
175.02454	8.9
178.99802	7.8
179.03468	17.7
191.05547	16.6
194.05856	9.6
195.06586	21.1
195.10132	10.8
209.08130	27.5
219.94037	8.4
233.06711	12.7
249.93871	9.0
300.26358	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	417.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	1.5
57.03337	2.7
58.00494	0.7
59.01264	100.0
60.01583	1.0
61.98716	26.9
69.48885	5.4
71.01269	37.9
72.01608	0.9
72.99217	1.8
73.02839	9.9
73.92851	0.6
75.00773	2.2
83.01273	4.0
85.02840	12.8
87.00777	2.8
89.02332	14.2
89.02841	1.2
90.02620	0.6
93.03362	1.5
95.01302	2.8
97.02865	1.0
99.00780	4.7
99.04451	1.1
101.01283	0.8
101.02350	23.0
101.03015	1.4
107.01315	2.9
108.02064	1.0
109.02859	3.4
109.06489	1.0
111.04436	1.0
111.08105	1.1
113.02358	16.3
114.02690	0.7
115.00259	0.7
119.03432	5.0
121.02912	0.9
123.04443	1.1
125.02388	2.4
129.01865	1.2
131.01344	1.2
131.03471	0.9
137.02377	2.2
139.07567	7.7
143.03404	3.9
149.04562	1.6
149.05988	0.7
150.06892	0.8
151.00325	1.4
151.07623	2.8
152.01096	1.8
152.04735	0.7
153.01878	0.9
153.09218	1.6
159.02924	4.4
161.04504	37.8
162.04929	1.7
163.03979	1.4
165.05511	10.3
165.09186	2.4
166.02682	2.1
166.06158	0.9
177.01939	0.9
178.06306	0.7
179.05579	3.6
180.07901	5.6
181.05096	3.1
181.08653	4.4
189.05539	2.0
193.08842	1.5
195.10330	2.4
204.07878	5.3
205.03459	1.6
209.11902	1.0
211.09747	1.1
218.99335	6.6
219.10262	14.2
220.10628	1.3
235.08359	1.3
237.00389	7.8
237.11270	7.3
248.17996	0.7
252.14420	0.8
269.10071	0.9
281.06906	2.3
292.93994	0.8
297.04187	1.0
329.94696	0.7
357.15604	21.1
357.20007	1.1
358.15924	2.1
373.15152	3.0
381.08328	0.9
417.08414	1.0
417.17517	8.1
417.25391	2.3
418.17224	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	417.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97479	0.4
59.01270	3.4
63.34397	0.4
64.63078	0.4
69.56895	3.7
76.18652	0.4
79.05431	0.8
93.03345	1.2
95.01237	0.4
95.40429	0.4
103.05427	0.7
107.04914	1.7
109.02850	1.6
121.02863	2.2
123.04431	0.7
131.04948	1.1
133.02890	2.8
135.04468	1.4
139.03922	0.9
148.01500	1.1
149.02347	2.8
172.05315	0.5
175.04099	0.5
191.06239	0.5
197.05943	0.6
199.03938	0.5
201.02045	0.7
209.06010	0.8
215.11060	0.6
221.09764	2.2
223.07646	1.8
237.09157	1.2
239.10820	2.3
240.10976	0.5
249.09200	0.9
253.05089	2.1
263.07202	0.8
263.10834	0.9
265.08749	0.8
267.06644	1.1
275.07129	0.5
279.10324	1.1
281.08313	1.3
289.08643	0.7
291.10321	1.2
293.08038	2.4
307.09808	2.9
308.10437	2.1
309.11215	1.1
309.95813	0.5
329.11752	0.7
357.11441	0.8
359.08978	0.6
361.07187	1.1
361.14337	0.7
362.07980	0.6
371.13150	0.6
373.14523	1.5
374.08063	1.3
387.08862	0.7
389.13986	5.0
390.14267	0.7
399.12357	2.8
401.10406	0.5
402.11179	0.8
416.32587	0.8
417.13522	100.0
418.13876	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	417.1354
Annotation	Ulexin C
Peak:m/z	Relative Intensity
59.01277	2.1
61.13008	0.3
61.98719	0.4
71.42062	0.5
78.95791	1.1
79.05431	0.6
90.22567	0.3
93.03374	1.4
93.03858	0.3
101.02341	0.5
103.05502	0.3
107.04905	1.3
109.02862	1.7
114.64359	0.3
118.06699	0.3
121.02873	2.4
123.04435	0.8
131.04942	0.7
133.02853	2.4
135.04419	1.2
139.03917	0.8
145.02864	0.4
148.01591	1.0
149.02405	2.1
152.99496	1.9
159.04434	0.6
167.03069	0.3
172.05249	0.4
175.03925	0.7
177.01901	0.5
181.04982	0.3
201.01790	0.4
207.08099	0.4
209.06018	0.6
215.10947	0.4
221.09718	1.6
222.59938	0.3
223.07552	1.4
225.05551	0.6
237.05360	0.5
237.09177	0.8
238.10155	0.3
239.10812	2.6
247.07533	0.3
249.05656	0.5
249.09019	0.5
253.05092	1.1
263.07227	0.8
263.10651	0.4
265.05035	0.6
265.08771	1.3
267.06747	1.4
275.07169	0.7
279.06723	0.3
279.10199	0.5
281.08276	1.5
281.11288	0.3
289.08734	0.9
290.09625	0.4
291.06900	0.5
291.10303	1.0
293.08218	1.8
294.49777	0.3
300.22580	0.3
305.08368	0.5
307.09875	2.9
308.10513	2.0
309.11349	0.8
317.08301	0.7
331.09628	0.4
333.07718	0.5
339.09894	0.3
343.09683	0.4
343.13480	0.5
355.13525	0.5
357.11328	0.4
361.07269	0.6
361.14401	0.7
362.08014	0.4
371.12888	0.9
373.14450	1.1
374.07941	0.6
387.08820	0.5
389.14124	4.1
390.14398	0.8
393.87393	0.3
399.12506	2.6
400.12808	0.5
401.10242	0.5
402.10986	0.5
415.12250	0.4
416.12784	0.5
417.13541	100.0
418.13965	13.8
442.89392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28758	0.1
52.64070	0.1
57.03319	0.2
59.01270	1.5
61.98716	0.3
65.03838	0.9
67.01764	0.4
69.03354	0.2
69.66078	0.9
71.01269	0.9
72.99187	0.3
75.00743	0.5
76.01582	0.1
83.01246	0.2
83.04896	0.1
85.02834	0.4
87.00773	0.3
89.02296	0.4
89.03864	0.6
93.03312	0.3
95.04904	0.2
96.15385	0.2
98.19777	0.2
99.00751	0.3
101.02327	0.4
103.00328	0.2
108.02075	1.9
109.02854	5.3
113.02353	0.4
114.01844	0.1
114.05492	0.4
117.03373	0.4
119.04932	0.3
121.02869	5.3
122.03209	0.2
123.00803	0.2
123.04407	0.6
123.14832	0.2
125.02357	0.4
133.02875	9.0
134.03209	0.3
135.00829	0.2
137.02420	0.4
141.07022	0.7
143.04955	0.2
143.08601	0.2
145.02885	2.4
146.03601	0.2
147.04482	0.2
148.01572	0.2
149.02365	0.6
151.00293	0.4
152.00998	0.2
153.01857	0.3
154.54491	0.1
159.04475	0.2
161.02370	0.3
161.04498	0.4
165.01833	0.2
165.07045	0.4
166.02690	0.7
167.04959	0.2
167.08664	0.8
169.06551	0.9
171.04454	0.2
172.05252	0.4
173.06033	0.1
181.05077	1.1
181.72166	0.1
183.08057	1.0
185.06056	1.8
187.07603	1.4
193.06567	0.4
195.04482	0.3
196.05203	1.0
197.05859	0.2
198.03143	0.6
199.03944	0.1
209.06012	1.5
210.06781	0.4
210.45316	0.2
211.04193	0.3
211.07623	3.8
212.04662	0.5
212.07951	0.2
213.05556	3.2
214.05894	0.2
225.05589	0.3
227.03549	0.2
227.07130	1.4
236.04852	0.2
237.05536	1.4
240.04305	7.1
241.04668	0.4
251.18629	0.2
253.05083	1.0
254.05850	0.3
255.06654	100.0
256.07004	7.2
260.13885	0.2
284.03207	0.2
285.03964	0.2
297.03940	0.2
327.05197	0.2
391.73407	0.1
417.12427	0.9
417.16840	0.3
417.25159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97850	0.7
59.01265	100.0
60.01593	1.0
71.23730	2.0
78.90395	0.7
114.18080	0.8
286.56461	0.9
309.16110	0.8
390.27808	0.8
415.15616	1.0
415.32101	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	416.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.2
61.98717	100.0
63.02642	0.9
68.73996	0.8
87.10994	0.8
106.17364	0.9
118.06236	1.0
133.06461	1.2
146.47520	1.2
217.17883	0.9
219.06717	1.7
269.58194	0.9
353.10336	19.0
354.10767	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	415.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38867	0.7
56.19593	0.6
59.01270	4.2
62.29160	0.6
71.01244	0.7
71.52409	0.9
73.43736	0.6
74.98986	6.4
77.00552	76.7
78.00871	0.7
78.69431	0.6
78.95771	1.1
89.02327	0.7
91.54299	0.7
94.22302	0.7
100.69875	0.7
114.08183	0.6
115.28964	0.6
147.08109	1.9
149.09644	1.6
161.09608	0.7
163.11211	1.8
179.19931	0.7
187.11218	1.8
252.78334	0.7
279.13873	1.3
280.14737	1.3
309.22339	2.1
337.21802	100.0
338.22128	13.8
355.12628	0.9
415.23392	18.5
415.28583	4.5
416.23630	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	415.162
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01767	2.0
57.03331	2.4
57.25397	0.5
58.00488	3.5
59.01263	89.5
60.01585	0.8
60.19201	0.6
61.75399	0.6
61.98712	0.6
69.03351	1.2
71.01269	82.2
72.01613	1.4
72.25154	0.6
72.99197	5.9
73.02835	24.6
75.00769	1.1
83.01289	5.4
85.02843	18.5
87.00783	3.3
89.02335	100.0
90.02685	1.7
95.01298	3.5
97.02863	1.6
99.00780	32.8
99.04404	1.0
100.01131	0.9
101.02348	54.3
102.02718	0.7
109.02859	10.8
113.02354	22.5
115.03890	0.8
119.03406	7.9
119.04910	0.7
121.02874	0.8
124.72170	0.6
125.02371	5.3
129.01869	0.6
131.03427	20.2
131.04419	1.0
132.03711	0.6
137.02432	0.6
143.03441	2.9
149.04494	61.0
150.04851	1.8
159.02980	1.3
161.04506	16.7
167.03490	1.5
170.82726	0.6
179.05569	2.8
191.05582	14.2
205.03615	1.0
207.04877	0.6
221.06659	2.5
233.06705	0.6
244.17360	0.7
251.07788	3.9
271.08374	1.6
275.07813	0.6
280.38492	0.6
283.11938	18.1
284.12460	1.3
293.08783	1.1
415.16171	48.3
416.16519	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	413.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.7
59.01266	100.0
60.01603	0.7
61.08966	0.2
61.98725	0.3
62.17434	0.2
69.54941	2.1
71.01272	5.9
72.99217	0.4
73.02840	2.8
75.00771	0.3
83.01288	0.8
85.02841	1.4
87.00787	0.5
89.02341	2.7
95.01277	0.5
99.00794	0.5
101.02339	3.5
112.59578	0.3
113.02364	2.1
117.03427	0.6
119.03470	1.2
119.04971	0.8
121.02913	0.3
125.02393	0.5
131.03494	0.5
135.04475	0.3
143.03450	0.4
149.04642	0.3
161.04512	1.7
173.02371	0.4
175.00392	0.3
179.05615	0.5
187.03978	0.3
189.05626	0.3
253.05144	0.3
268.03967	0.3
269.04819	0.3
281.04675	0.3
293.04605	2.1
293.09412	0.2
294.05200	0.5
299.05588	0.4
339.09018	0.3
387.04807	0.3
395.07791	0.3
398.10339	0.4
413.08829	0.7
413.13336	1.5
413.21747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24402	0.7
59.01265	100.0
60.01600	1.3
64.34057	0.7
70.29063	2.6
70.29450	1.7
70.94482	0.8
93.52389	0.6
93.70605	0.9
98.20506	0.9
98.49488	0.7
185.38127	0.8
258.56271	0.8
259.91040	0.7
340.96490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37597	0.4
56.40288	0.4
59.01265	100.0
60.01605	1.0
66.07533	0.4
71.31865	0.7
81.30767	0.5
93.36874	0.4
119.36738	0.4
207.41692	0.4
290.32526	0.4
316.57635	0.5
426.79962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26075	0.3
59.01263	13.8
67.19320	0.3
69.78139	0.3
71.01264	3.1
71.51902	0.4
72.99198	0.4
73.02834	0.7
75.00748	0.5
81.03349	0.4
83.01234	0.4
85.02822	1.0
87.00764	0.5
89.02341	0.9
91.01800	1.1
99.00775	0.8
101.02351	1.7
108.02078	0.8
109.02860	0.4
113.02332	1.0
117.03398	0.3
123.04443	1.5
125.02341	1.1
132.02080	5.8
135.00786	2.1
137.02405	0.5
151.00287	0.3
151.03960	0.5
152.01074	0.7
153.01901	1.2
161.04514	1.1
167.03471	3.8
167.04831	0.5
180.05765	0.4
183.10210	0.3
191.03464	1.1
195.04478	4.7
196.05229	0.6
200.57936	0.3
208.05228	3.0
209.06117	0.3
223.04007	16.8
224.04741	5.6
225.05293	0.6
235.06142	0.9
251.03534	11.0
252.04311	92.4
253.04994	25.7
254.05394	1.4
267.06674	0.4
283.11908	0.4
295.05981	1.3
295.11813	0.5
313.13010	1.0
355.13919	0.4
371.10013	0.4
415.10440	100.0
416.10797	11.5
416.15570	0.2
423.93710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40859	0.7
53.56401	0.9
55.01764	2.2
57.03337	100.0
58.03677	1.1
59.01264	89.4
60.01614	1.2
61.98729	0.8
64.60914	0.7
70.46629	0.7
70.59933	0.7
71.01270	24.2
71.52060	1.1
72.99179	3.8
73.02834	8.0
81.03340	1.1
83.01280	6.6
85.02844	12.1
87.00768	2.7
89.02332	5.4
93.03341	1.5
95.01279	2.5
99.00785	4.7
99.04417	90.9
100.04763	2.7
101.02346	38.0
101.03015	1.9
103.01727	0.9
107.04915	0.8
108.02048	1.4
111.00828	0.8
113.02351	11.6
114.02640	0.9
116.37898	0.8
117.03404	1.5
118.15107	0.8
119.03500	1.5
119.04939	10.7
123.04461	1.0
125.02374	27.5
126.02728	0.9
132.02103	2.3
133.02875	1.0
134.03656	1.6
135.04468	0.9
137.02382	2.9
138.09219	2.1
143.03462	2.3
149.02336	1.4
151.03802	0.9
152.01114	1.8
153.01881	0.9
159.02943	2.0
160.01584	10.6
161.02330	0.9
161.04518	11.5
163.07782	0.8
175.00316	0.8
175.03973	14.2
179.05679	0.8
189.03926	0.9
193.05034	2.4
205.59401	1.0
223.06064	1.6
269.10367	27.1
270.10690	0.8
271.30893	0.9
293.04538	6.1
311.11359	2.3
339.07953	0.8
351.14706	1.3
410.37198	0.8
413.09280	4.9
413.14606	18.0
413.21722	2.0
427.37949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13351	0.2
52.60319	0.2
53.34860	0.2
55.01771	0.4
59.01273	1.0
59.01506	0.2
62.05038	0.2
65.03859	0.2
67.01743	0.3
71.07800	0.3
71.08141	0.2
79.01799	0.8
79.05412	0.2
85.02845	0.5
91.05405	0.2
97.02869	0.2
97.06488	0.3
103.05470	0.3
108.02075	0.3
109.02856	1.1
111.04420	0.9
115.05411	0.2
116.85666	0.2
119.04958	0.4
121.02853	0.6
122.03640	2.3
123.04429	1.2
128.51167	0.2
128.88495	0.2
131.04877	0.3
133.02866	1.4
134.03691	0.3
134.80215	0.2
135.04465	1.5
136.01590	0.2
137.02318	0.3
141.05504	0.8
147.04478	0.7
148.01595	1.3
149.02382	4.6
150.03165	5.2
151.03931	0.9
159.04460	0.4
161.02361	1.0
162.03175	0.4
163.03946	1.0
165.05533	0.9
175.03954	1.1
176.01076	0.5
177.01881	4.2
178.02667	2.2
179.03400	0.2
185.06067	0.4
187.03993	0.5
189.01894	0.4
190.02666	0.2
191.03485	1.8
192.03714	0.2
197.05911	0.3
199.07596	0.4
199.99916	0.2
201.01886	1.4
203.03452	0.5
204.04161	0.3
207.02965	0.6
210.01682	0.4
210.06833	0.3
211.07677	0.3
213.05571	2.3
213.09038	0.3
217.08652	0.5
223.07629	0.4
225.05586	0.7
225.09192	0.4
226.06244	0.2
227.07155	0.3
228.04228	0.3
231.06628	0.4
237.07649	0.3
238.06383	0.3
239.07106	1.1
240.07936	1.2
241.05035	0.5
241.08691	0.4
243.06635	0.6
251.07117	0.5
253.05087	0.9
253.08627	0.3
254.05936	0.6
255.06654	0.5
256.07449	0.5
257.08267	0.5
261.07843	0.9
266.05890	0.4
267.06665	1.4
268.07422	1.1
269.04620	0.7
269.08151	0.7
270.05334	0.4
279.06586	0.4
281.04660	1.0
281.08090	0.4
283.06189	1.8
284.06970	1.3
285.07657	0.9
295.06213	1.6
296.06979	1.9
297.04095	4.0
297.07608	0.8
298.04733	0.7
309.04373	0.3
311.05695	6.2
312.06451	15.3
313.07187	7.4
314.07608	0.6
323.05716	0.9
324.06415	1.9
325.07245	11.5
326.07480	1.2
341.06625	0.8
342.07382	1.6
343.08264	8.7
344.05307	6.0
344.08801	0.8
345.05844	0.9
356.05487	0.6
359.09488	0.3
365.10172	0.8
374.06567	3.4
377.10248	1.1
381.09741	0.4
383.11624	0.6
395.06577	0.4
395.11444	5.1
396.11853	0.6
406.67639	0.2
411.11053	0.5
413.12506	100.0
414.12863	13.1
439.24686	0.2
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
59.01265	100.0
60.01604	0.9
70.31664	1.4
70.32054	1.0
70.92066	0.5
80.95061	0.4
153.96094	0.6
162.81665	0.6
225.33551	0.5
242.12119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.7
59.01261	5.9
61.98710	1.8
67.01768	0.5
71.01239	0.8
71.54349	0.5
71.54717	0.5
73.02812	0.6
79.01766	0.9
83.01289	0.8
85.02832	0.8
92.19662	0.5
98.69949	0.5
107.04897	0.5
109.02852	1.4
111.04390	0.7
113.02346	1.0
119.05027	0.4
121.02842	0.9
122.03662	2.3
123.04413	1.9
125.02306	0.5
128.67288	0.4
131.04980	0.7
133.02858	2.2
135.04451	0.9
141.05481	1.0
147.04471	1.0
148.01596	1.5
149.02377	6.0
150.03142	4.6
151.03970	1.5
161.02353	1.5
163.03911	1.5
165.01862	0.5
165.05550	0.6
175.03972	1.3
177.01907	3.5
178.02675	2.0
179.03467	0.6
185.06035	0.7
189.05507	0.8
191.03462	2.6
197.05969	0.4
199.07590	0.6
201.01974	1.2
201.05545	0.8
203.03503	0.5
210.01645	0.5
212.04675	0.5
213.05533	3.7
214.06009	0.7
215.03394	0.7
217.99399	0.5
225.05606	0.8
227.07219	0.8
229.08548	0.5
231.06641	1.4
239.07127	0.8
240.07890	1.1
241.08684	0.8
243.06718	0.9
245.08409	0.5
251.13089	0.5
253.05057	0.7
254.05920	1.1
255.06711	0.7
257.08411	0.6
261.07849	1.4
267.06680	0.5
268.07236	0.5
269.08197	0.7
279.48718	0.4
281.04636	1.3
281.08185	0.7
283.06137	2.5
284.06778	1.0
293.04727	0.7
295.06348	0.7
296.07034	1.1
297.04358	1.0
297.07816	1.1
299.09647	0.8
311.05649	4.2
312.06488	11.5
312.09927	1.0
313.07129	5.1
323.05551	0.6
324.06302	0.8
325.03433	0.6
325.07224	10.5
326.07452	1.1
342.07538	1.9
343.08282	14.0
344.05399	2.6
344.08694	0.9
361.34833	0.5
374.06543	4.6
395.11572	3.5
396.11920	0.6
413.12524	100.0
414.12872	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03336	1.3
58.00476	0.9
59.01264	100.0
60.01596	0.9
61.98702	0.3
69.03353	0.9
69.49748	1.3
69.50169	1.7
71.01270	26.3
72.01633	0.5
72.99206	1.3
73.02835	24.6
74.03163	0.4
75.00789	0.4
80.42429	0.4
81.03378	0.5
81.94604	0.3
83.01272	7.2
85.02851	4.0
87.00779	0.7
89.02338	7.8
95.01314	1.3
97.02852	0.7
99.00777	0.8
101.02346	24.3
102.02675	0.5
108.02090	0.8
113.02359	10.2
119.03397	2.9
121.06522	0.8
125.02402	1.1
131.03453	1.7
135.04398	0.5
137.09660	8.9
138.09985	0.4
139.95238	0.4
143.03424	1.8
147.43925	0.4
149.04517	1.3
152.01103	0.6
155.03537	0.7
161.04500	4.4
170.15469	0.4
179.05544	0.7
189.12851	1.1
203.05627	0.4
221.06764	0.6
323.05695	0.9
357.68286	0.4
396.08710	0.6
411.10986	6.1
411.19107	0.8
411.24426	0.5
412.11655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40865	0.3
54.88432	0.4
55.01771	0.4
55.76683	0.3
57.03340	1.0
58.00477	0.8
59.01264	100.0
60.01616	1.1
61.36594	0.3
69.03331	0.7
71.01269	25.2
71.32053	0.6
72.01621	0.5
72.99198	1.1
73.02837	28.3
73.37178	0.3
75.00761	0.7
75.73411	0.4
76.49317	0.3
83.01276	7.2
85.02847	3.4
87.00789	2.2
89.02335	8.2
95.01295	1.4
95.29346	0.4
97.02892	0.6
99.00819	0.7
101.02347	28.5
102.02699	0.8
111.00789	1.7
113.02357	10.9
119.03420	3.3
121.06506	0.6
125.02359	1.1
130.99779	0.5
131.03412	2.4
137.09663	6.3
143.03461	2.9
145.84827	0.3
149.04509	0.9
155.03450	0.9
156.79562	0.4
161.04472	4.9
179.05606	0.7
189.12859	1.5
203.05600	0.5
223.06212	0.4
254.04337	0.7
325.01529	0.4
330.10291	0.7
411.21136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99516	0.2
59.01268	1.1
61.98729	0.2
70.01341	0.5
76.36333	0.1
94.37043	0.2
109.00723	0.2
109.02872	0.4
110.11297	0.2
115.91990	0.8
121.02869	0.7
133.02884	2.1
135.04437	0.3
148.01587	1.2
149.02361	0.8
150.03165	0.3
152.53255	0.2
159.04384	0.2
163.03949	0.2
175.03937	0.4
177.01846	0.3
187.07559	0.2
189.01888	0.7
193.52007	0.2
199.03947	0.2
201.01843	0.4
201.09145	0.3
202.02715	0.2
203.03357	0.4
213.01973	0.3
213.05553	0.2
214.02701	0.7
215.03505	2.0
223.07704	0.4
224.04781	0.3
225.02171	0.3
225.05524	0.3
226.02650	0.2
227.03523	1.7
227.07138	0.4
229.08626	0.3
235.07533	0.3
239.07228	0.8
249.05511	0.2
251.07245	0.5
252.04355	0.2
253.05174	0.4
255.06644	0.6
256.07202	0.3
257.07968	0.2
263.06921	0.2
264.04324	0.3
265.05206	0.3
266.05875	0.3
267.06708	1.4
268.03973	0.3
269.08258	0.2
277.04999	0.2
278.05829	0.3
279.06796	1.1
280.03787	0.2
281.04587	0.5
282.05215	0.3
283.06143	1.3
291.06729	0.6
293.04575	0.6
294.05386	0.6
295.06195	1.8
296.03439	0.2
297.04337	0.2
297.07758	0.2
298.04724	0.3
305.04654	0.4
306.05438	0.3
307.02890	0.2
307.06177	0.7
309.04205	0.5
310.04926	0.6
311.05652	5.7
312.06015	0.5
313.07297	0.2
319.09750	0.2
321.04099	0.3
322.04926	1.1
323.05673	24.5
324.05991	2.0
325.07285	0.2
335.05698	11.9
336.06186	1.1
337.07211	0.7
341.06744	6.2
342.07101	0.7
349.11005	0.2
351.08658	0.7
353.06735	13.2
354.07312	1.2
356.08987	0.4
358.07043	0.2
363.08762	0.7
365.10245	0.8
366.11157	8.8
367.11526	0.9
377.10379	0.6
378.11142	9.5
379.11609	2.1
380.12381	0.2
381.09534	0.3
381.13748	1.4
386.87500	0.2
388.08191	0.8
393.13501	6.3
394.13895	0.6
395.11508	0.4
396.12207	23.7
397.12579	3.3
409.12811	0.3
411.14563	100.0
412.14920	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	64.5
59.34486	1.8
60.01614	1.8
61.98715	2.9
62.20421	1.5
63.18816	1.6
64.63678	1.7
68.38036	1.7
69.50668	13.9
71.01274	14.7
72.99185	2.2
73.02839	6.1
85.02834	4.7
85.06480	100.0
86.06826	2.9
87.00761	19.7
87.04407	30.7
89.02337	8.4
98.19877	3.9
101.02349	9.2
101.05959	3.5
111.04412	2.2
113.02348	12.5
113.05987	17.9
115.03955	3.4
119.03416	5.6
119.04944	5.0
120.00191	1.8
129.05487	16.4
131.07016	2.0
133.37558	1.7
135.04446	48.7
143.03450	1.7
161.04477	4.2
170.50360	2.1
171.06522	2.1
179.05594	2.9
189.07658	34.1
190.91635	2.0
216.44682	2.5
221.15462	1.9
249.09737	3.4
411.19614	2.1
412.16217	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	411.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30008	0.2
55.01768	0.4
57.03337	1.1
58.00480	1.0
59.01263	100.0
60.01588	1.3
62.96598	0.2
63.53481	0.2
69.03349	0.7
69.28935	1.1
69.29360	1.1
71.01268	25.9
72.01593	0.4
72.99197	1.2
73.02833	27.3
74.03188	0.4
75.00758	0.6
75.07311	0.2
77.90294	0.2
81.03380	0.3
83.00803	0.1
83.01276	7.4
85.02836	4.2
87.00744	1.2
89.02335	8.4
91.25600	0.2
95.01285	1.3
97.02866	0.6
99.00777	0.6
99.04434	0.4
101.02341	26.1
102.02702	0.4
108.02040	0.4
111.00797	0.4
113.02351	10.8
114.02734	0.3
119.03401	2.7
121.06539	0.8
125.02316	1.1
131.03433	2.4
132.00146	0.2
137.09656	8.5
138.10013	0.4
143.03426	2.3
149.04453	1.2
149.09691	0.4
152.01102	0.9
155.03474	0.8
161.04491	3.5
179.05627	0.8
189.12854	1.4
203.05536	0.3
221.06717	0.4
221.97397	0.3
231.10352	0.3
254.04376	0.5
330.10275	1.1
411.86182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64089	0.2
59.01266	1.9
61.93096	0.3
61.98701	0.4
63.88446	0.3
71.23383	0.6
74.83803	0.2
87.00763	0.6
109.02839	0.5
121.02853	0.6
133.02892	0.5
133.06447	0.3
135.04440	0.5
148.01584	1.5
149.02356	0.8
156.41663	0.3
161.94818	0.3
174.03149	0.8
189.01939	0.4
201.02028	0.5
202.02687	2.4
203.03407	0.3
214.02689	2.0
215.03487	1.7
219.10127	0.5
226.02722	0.9
227.03477	1.0
239.07097	0.4
242.05841	0.4
245.04530	0.4
251.07153	0.5
256.07306	0.4
257.08255	0.4
267.06622	1.2
277.05063	0.4
279.06708	1.6
281.04468	0.6
282.05383	0.4
283.06061	0.6
291.06671	1.0
293.04727	0.3
294.05212	0.5
295.06140	1.4
296.03366	0.5
305.04773	0.3
306.05295	0.4
307.06094	0.8
310.04834	0.5
311.05695	1.9
321.11169	0.3
322.04907	0.9
323.05655	25.1
324.05942	2.0
325.07239	0.4
334.04697	0.5
335.05679	14.9
336.05984	1.6
337.07291	0.5
337.11023	0.4
347.09109	0.4
349.07028	0.3
349.10992	0.6
351.08682	0.7
353.06732	7.9
353.10620	0.6
354.07159	0.7
361.10822	0.5
363.08792	0.5
365.10330	1.9
366.11142	13.5
367.11340	1.9
377.10361	1.3
378.11157	15.1
379.11691	2.7
381.13626	2.8
383.15503	0.3
393.13565	7.1
394.13824	0.9
396.12204	18.2
397.12531	2.6
409.12973	0.5
411.14560	100.0
412.14917	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	411.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84956	0.1
52.69270	0.1
59.01213	0.5
69.22828	0.9
69.23254	0.6
76.10966	0.1
93.03311	0.3
95.71667	0.1
100.57819	0.1
108.02023	0.2
109.02788	0.4
119.01236	0.3
121.02847	0.7
123.00652	0.1
133.02867	1.3
133.06502	0.2
134.03561	0.2
135.04475	0.8
137.05841	0.2
145.02756	0.2
147.04338	0.5
148.01598	6.7
149.02353	0.8
150.03105	0.3
161.02255	0.3
163.03928	0.2
173.02246	0.4
173.05913	0.2
173.09579	0.2
174.03059	0.4
175.03879	0.5
175.07581	0.2
177.01865	0.3
184.05151	0.2
185.06001	0.2
185.09625	0.2
186.02888	0.2
187.03883	0.2
187.07616	0.3
189.01787	0.6
199.03874	0.2
199.07611	0.2
201.01820	0.7
201.05522	0.3
201.09125	0.2
203.03285	0.2
203.10732	0.2
204.07782	0.2
205.08714	0.2
209.06003	0.3
211.03770	0.3
211.07414	0.3
212.04753	0.2
213.01921	0.2
214.02596	0.4
215.03500	1.8
217.08696	0.3
223.07530	0.4
224.04756	0.2
225.05484	0.5
227.03542	1.0
227.07072	0.3
229.08537	0.2
231.06592	0.2
235.07549	0.2
236.04723	0.2
237.05457	0.6
238.06175	0.4
239.07133	1.2
240.04292	0.4
241.04927	0.6
241.08713	0.2
242.05696	0.2
243.06631	0.2
245.04440	0.2
245.08167	0.2
247.09746	1.0
249.05539	0.4
250.06215	0.2
251.07217	1.1
252.04282	0.3
253.05075	1.0
254.05724	0.4
255.06570	0.6
256.07120	0.2
257.08148	0.6
263.06964	0.4
264.04398	0.2
264.07510	0.2
265.05057	0.6
265.10800	0.2
266.05844	0.6
267.06656	2.1
268.03754	0.4
268.06815	0.1
269.04529	0.3
269.08115	0.4
272.03323	0.2
277.05045	0.5
278.05670	0.5
279.03577	0.3
279.06668	2.3
279.09885	0.2
280.03708	0.2
280.06912	0.2
281.04633	1.0
281.07605	0.2
282.05170	0.6
283.06049	1.2
284.06628	0.2
285.45016	0.2
291.06641	1.2
292.03775	0.3
292.07056	0.3
293.04745	0.8
293.07657	0.2
293.11771	0.4
294.05341	0.6
295.03009	0.3
295.06198	2.0
296.03241	0.2
296.06546	0.3
297.04041	0.6
297.07693	1.0
297.10635	0.2
298.04868	0.3
299.05566	0.6
305.04623	0.4
305.08078	0.3
305.11682	0.3
306.09039	0.2
307.06064	1.1
307.09756	0.5
308.03110	0.3
308.06573	0.2
309.04016	1.2
309.07733	0.5
309.11325	0.5
310.04736	0.7
310.12125	0.2
311.05652	3.4
312.06305	0.7
313.07138	0.4
319.09518	0.4
321.04071	0.3
321.11249	1.2
322.04913	0.8
322.08365	0.2
322.12021	0.3
323.05710	13.5
323.09253	1.8
324.05984	1.4
324.09482	0.3
325.07205	1.7
326.07730	0.2
327.05087	0.4
333.11484	0.3
334.12357	0.2
335.05704	7.0
335.09308	0.7
336.06223	1.0
337.07123	0.4
337.10916	1.0
338.11288	0.2
339.05432	0.2
339.12454	1.0
340.05881	1.1
341.06702	2.7
342.07117	0.2
344.05435	0.5
349.10876	1.3
349.14676	0.3
350.11658	0.3
351.08765	2.3
351.12576	0.3
352.09082	0.3
353.06705	8.0
353.10474	1.0
354.07166	0.8
356.09021	0.2
363.08722	0.5
365.10236	0.8
366.11136	4.7
366.15527	0.3
367.11905	3.3
368.12366	0.7
372.05008	0.4
377.10434	0.4
378.11151	6.2
379.11728	1.4
380.12595	0.2
381.09494	1.6
381.13696	0.6
388.07996	0.3
393.13480	3.3
394.13950	0.4
395.11472	1.8
396.12198	45.4
397.12531	5.1
409.13147	0.2
411.14569	100.0
412.14935	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	411.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56573	0.6
55.01767	1.6
59.01263	9.4
67.01746	0.5
69.33794	1.4
69.34209	4.2
71.01266	1.0
79.01773	2.7
82.95327	0.7
86.04597	0.5
89.03867	0.9
90.81052	0.6
93.03354	0.8
97.02832	0.7
101.02337	0.7
108.02043	1.4
109.02859	2.4
109.06488	2.5
113.49866	0.6
115.00043	0.5
121.02847	2.3
122.03645	2.6
123.04437	1.9
133.02878	7.9
133.06516	1.3
135.04436	5.4
147.04478	0.9
148.01619	3.1
149.02374	5.9
149.05931	1.1
150.03183	3.2
151.03920	1.0
159.04391	0.7
161.02333	1.8
162.03152	1.0
163.03966	1.1
165.09166	13.3
173.02437	0.7
175.03964	2.1
177.01906	3.2
177.65805	0.6
178.02672	1.4
185.06082	1.2
187.07622	1.0
189.01889	1.4
189.09160	2.4
190.02632	2.3
199.03867	0.7
199.07561	0.8
201.01904	3.4
201.05530	0.6
203.03531	0.9
205.08714	0.9
212.04810	0.9
213.05586	4.9
215.03473	0.7
225.05614	0.7
229.04980	0.7
231.06578	1.4
233.08156	5.5
237.05482	0.9
239.07230	0.7
241.05176	0.8
245.99457	0.6
251.07173	0.8
252.07758	0.7
253.05075	2.2
254.05971	3.4
255.06636	1.1
259.06161	0.9
267.06656	1.1
267.10291	2.1
267.13559	0.7
268.07449	0.8
270.05276	0.7
279.06711	1.1
279.13898	0.8
280.07407	1.3
281.04614	3.7
281.11896	1.3
283.06052	1.3
293.07980	0.6
295.06100	1.3
295.13547	0.7
297.04144	1.3
297.07736	1.4
298.04886	8.0
299.05539	0.7
309.04263	0.7
311.05627	2.8
312.06335	4.7
313.07239	0.7
323.05582	1.8
323.13000	2.4
324.05951	0.7
337.11121	0.6
339.12387	1.2
344.05426	1.6
349.10815	0.8
367.11914	100.0
368.12262	10.7
379.08243	0.8
382.22894	0.6
383.11270	1.1
393.09683	3.2
394.10309	1.0
396.12241	2.0
411.10782	72.5
412.11145	8.9
412.15857	1.0
424.89981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05191	0.3
57.44493	0.4
57.90696	0.3
59.01266	2.9
61.98716	0.8
62.28933	0.3
63.81665	0.4
65.49509	0.3
69.28557	2.1
69.28977	1.6
72.49231	0.3
76.14672	0.3
79.14350	0.3
93.03335	0.4
101.02335	0.4
107.68009	0.3
109.02841	0.9
121.02857	1.0
127.24351	0.4
127.89957	0.3
132.02034	0.4
133.02896	0.8
135.04440	1.1
136.46486	0.3
143.65480	0.3
144.11198	0.4
148.01630	2.3
149.02370	0.8
150.03091	0.4
177.05438	0.5
189.01895	0.5
194.33606	0.3
199.03909	0.5
201.01950	0.5
213.02040	0.4
214.02663	1.3
215.03476	1.6
223.07570	0.5
226.02682	0.9
227.03410	1.6
245.04521	0.8
251.07051	0.8
257.04453	0.5
263.07339	0.4
267.06662	1.1
269.04535	0.4
277.05176	0.5
279.06662	1.8
281.04642	0.5
291.06729	1.2
293.04822	0.5
294.05377	0.7
295.06149	2.5
296.07104	0.5
297.04327	0.7
297.07651	4.6
298.07999	0.9
306.05389	0.6
307.05954	2.0
308.03445	0.5
308.06744	0.6
309.04105	0.5
309.07706	0.4
321.04303	0.6
322.04999	1.8
323.05658	17.2
324.06107	2.4
325.07077	0.4
328.05914	0.9
334.05032	0.4
335.05679	17.0
336.06186	2.6
337.07263	2.0
349.07208	0.6
349.10983	0.6
351.04980	0.6
351.08832	0.6
353.06738	15.4
354.07202	1.7
365.06610	2.1
366.07471	7.7
367.07895	1.4
367.11969	3.9
369.09717	0.5
378.07523	14.9
379.07980	2.4
381.09839	1.0
393.09842	4.7
394.10608	0.4
394.72290	0.4
396.08539	33.1
397.08826	3.7
411.10919	100.0
412.11194	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	410.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
61.98746	0.6
68.56154	0.5
70.82046	0.7
70.82380	1.1
71.01283	0.6
77.70789	0.5
78.86179	0.4
79.73526	0.5
80.76704	0.5
90.85387	0.5
102.05506	2.2
119.04943	100.0
120.05264	3.8
128.03464	6.7
145.02899	4.7
162.05550	3.1
193.39465	0.5
204.10303	1.6
206.02264	0.5
248.09311	62.5
249.09644	4.8
257.68704	0.5
410.14661	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	410.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.5
59.34201	0.3
70.68182	0.4
70.68530	0.6
81.62811	0.3
93.03345	0.4
102.05505	2.0
113.02446	0.4
114.54683	0.2
117.03365	0.6
118.10865	0.2
119.04942	100.0
120.05269	4.2
128.02513	0.4
128.03458	7.6
136.82857	0.2
145.02888	6.8
146.03230	0.4
162.05524	0.5
204.10260	0.4
230.08194	1.3
238.88741	0.3
248.09305	72.5
249.09648	5.1
285.78964	0.3
290.10403	0.9
346.54465	0.3
365.15460	0.3
379.23489	0.3
410.09167	0.6
410.14651	12.2
411.15033	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	411.1094
Annotation	Austocystin D
Peak:m/z	Relative Intensity
51.78310	0.3
59.01262	2.6
63.45461	0.3
63.75966	0.3
64.18225	0.3
70.22063	0.5
70.22469	1.0
71.01262	0.6
72.10243	0.3
78.45914	0.3
87.00819	0.3
89.02352	0.4
91.05386	0.4
98.20498	0.4
102.41071	0.3
109.02863	2.1
121.02844	1.1
133.02856	1.1
135.04462	2.3
147.04449	0.4
148.01564	1.7
148.05301	0.3
149.02370	0.7
150.03133	0.5
159.04419	0.6
177.05408	0.3
189.01926	0.4
199.03975	0.4
201.01843	0.4
203.03589	0.5
214.02689	1.3
215.03445	1.3
217.01456	0.4
226.02708	1.3
227.03447	1.2
235.07791	0.3
241.05020	0.4
245.04568	0.5
248.04982	0.3
251.07068	0.9
253.05133	0.3
257.04648	0.5
262.06458	0.3
263.07336	0.5
265.05164	0.4
266.05865	0.5
267.06528	1.1
277.05109	0.6
279.06726	2.2
281.04648	0.6
290.05795	0.3
291.06668	1.4
293.04742	0.7
294.05493	0.7
295.06107	1.8
305.04547	0.6
306.05505	0.4
307.06219	2.2
308.03363	0.5
309.07761	0.7
312.06387	0.4
319.05844	0.4
321.04166	0.4
322.04715	1.5
323.05655	17.1
324.06207	2.4
325.07288	0.6
334.04788	0.5
335.05673	16.5
336.06223	2.4
337.07056	1.6
349.07034	0.4
351.05164	0.6
351.08975	0.4
353.06726	15.4
354.07376	2.1
363.05319	0.4
365.06772	1.4
366.07465	8.2
367.07690	0.7
369.09683	0.7
377.06842	0.6
378.07504	13.1
379.08121	1.8
381.09866	1.0
393.09695	3.7
396.08551	28.3
397.08853	3.4
411.10901	100.0
412.05957	0.7
412.11255	11.9
412.16815	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34487	0.2
59.01265	100.0
60.01591	1.2
61.98713	0.4
69.44821	2.2
71.01271	2.1
73.02862	1.1
75.00749	0.3
83.01293	0.4
85.02849	0.8
87.00809	0.4
89.02358	0.7
95.17059	0.2
101.02341	1.7
101.98665	0.3
113.02370	0.9
119.04971	0.4
142.60547	0.3
161.04509	0.6
199.07433	0.3
204.07964	0.8
205.08781	0.3
229.08774	1.5
232.17242	0.3
247.09918	1.1
289.16840	0.4
307.17670	2.7
307.20584	0.3
308.17911	0.3
349.18811	2.4
409.27820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12072	0.7
51.31246	0.8
55.01770	2.4
57.03336	84.7
58.00489	0.9
58.03672	1.7
59.01263	100.0
60.01612	1.1
69.64815	0.7
70.91087	1.9
71.01269	29.2
72.99208	2.3
73.02837	8.9
75.00768	1.4
81.03355	1.7
83.01288	4.7
83.84981	1.0
85.02847	12.8
87.00771	2.5
89.02332	11.7
95.01289	1.8
95.48119	0.7
97.34175	0.9
99.00794	3.2
99.04418	65.8
100.04759	1.0
101.02348	39.8
101.05999	1.0
112.75232	0.7
113.02348	12.8
119.03418	5.1
125.02364	28.7
129.01906	0.9
133.02870	0.8
143.03423	2.2
159.02916	1.8
161.04500	14.4
165.01901	1.9
179.05530	1.3
180.04312	1.6
195.06569	1.1
225.07652	1.8
247.11911	3.5
265.12964	44.2
266.13327	2.2
283.41028	0.9
307.14014	12.0
347.17255	1.4
349.18762	9.2
367.16364	0.9
399.00443	0.8
409.17227	10.5
409.28229	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	409.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.3
57.03337	68.1
59.01263	100.0
70.38284	1.1
70.38628	2.6
71.01271	30.0
72.99201	2.5
73.02427	1.7
73.02829	12.2
75.00762	2.7
79.81092	0.9
81.03342	1.9
83.01292	4.4
85.02837	11.8
87.00776	2.3
89.02326	5.2
95.01295	1.5
97.02831	1.5
99.00792	5.4
99.04419	60.5
100.04781	1.2
101.02345	37.4
101.06044	0.9
104.82517	0.9
107.05647	0.8
113.02361	11.3
118.05904	0.9
119.03393	1.6
119.04910	5.7
125.02367	25.9
129.01866	1.3
134.03549	2.7
143.03441	3.3
158.29037	0.8
159.02951	2.3
159.10164	1.3
161.04498	14.2
162.03123	1.0
174.71948	0.9
176.04561	1.7
178.35873	0.9
179.05560	1.0
192.03952	1.5
195.06602	1.0
225.07845	1.0
231.87422	0.9
235.11826	5.2
247.11913	3.5
250.65111	1.0
265.12973	40.5
266.13400	2.3
277.13016	1.6
293.12399	2.8
305.12613	1.5
307.14017	8.7
347.17078	1.6
349.11609	6.2
349.18845	2.9
367.16318	5.5
399.26089	1.1
409.17114	20.0
409.21396	1.2
409.28464	2.2
410.17834	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.4
61.98706	0.4
64.89709	0.2
70.39062	0.3
70.39425	0.8
70.74181	0.2
74.31242	0.2
79.01788	0.2
79.05398	0.2
93.03397	0.3
103.05431	0.2
107.04928	0.9
108.02041	0.3
109.02856	0.7
109.73603	0.2
121.02876	0.5
123.00777	0.2
130.23569	0.2
131.04971	0.4
132.02100	1.0
133.02875	0.7
135.04462	0.2
139.02206	0.2
145.02881	1.1
147.04482	0.3
148.01590	3.6
149.02322	0.8
150.03181	0.5
151.00269	0.4
157.06439	0.3
159.04463	0.5
161.02373	0.2
163.03923	0.4
169.06567	0.2
171.04520	0.2
171.08089	0.4
173.06082	0.5
174.03209	0.3
175.03957	0.4
183.08099	0.4
185.06065	0.5
187.04021	0.5
187.07590	0.6
197.05972	0.5
199.07610	0.3
201.01863	0.4
201.05540	0.7
202.06305	0.8
203.07082	0.7
209.06071	0.3
211.04034	0.3
211.07619	0.5
212.04747	0.5
213.05486	0.7
214.06198	0.4
215.03473	0.9
215.07082	0.6
217.08647	0.7
225.05545	0.5
227.03607	0.3
227.07117	0.7
228.04271	0.3
229.05095	1.4
230.05801	0.8
230.61121	0.2
231.06493	0.4
237.05690	0.4
237.09227	0.2
238.06505	0.2
239.07182	0.8
240.04297	0.4
241.05069	0.9
242.05695	0.5
243.06703	0.4
245.08133	0.4
247.07683	0.2
249.05588	0.4
249.09128	0.3
251.07268	0.4
253.05173	0.8
254.05899	0.4
255.06648	2.8
256.07300	1.2
257.04538	0.3
257.08167	0.4
258.05447	1.0
259.05914	0.2
261.09329	0.7
265.05231	0.4
265.08792	0.5
266.05847	0.3
267.06616	1.8
268.03781	0.2
268.07468	0.7
273.09167	0.3
275.07095	0.3
275.10770	0.8
277.05359	0.4
277.08749	1.0
278.09543	0.3
279.06781	0.3
279.10388	0.5
281.04620	0.5
285.07672	0.4
286.04736	0.5
286.08490	0.4
287.07333	0.2
289.08716	0.6
291.07050	0.3
291.10324	1.5
292.11044	0.6
293.04608	0.6
293.08237	0.8
294.08817	0.2
297.04001	0.2
301.08734	0.3
303.07132	0.2
303.10373	0.9
304.07413	0.4
304.10913	0.4
305.04697	0.5
305.08298	1.2
306.05307	0.4
307.06448	0.3
307.09756	2.1
308.03177	0.3
308.10422	0.5
311.05823	0.6
315.10226	0.3
316.11133	0.2
317.04767	0.2
317.08246	0.6
317.11710	0.2
318.08984	0.4
319.06342	0.4
319.09793	2.6
320.10516	1.0
321.03986	0.5
321.07770	1.8
321.11151	0.4
323.05701	1.6
331.09833	1.2
332.10480	0.5
333.07669	0.7
334.04889	0.3
335.05719	0.5
335.09311	2.5
335.12979	0.4
336.09998	1.8
337.10831	0.9
338.11404	0.3
343.09747	0.3
345.07602	0.6
346.08432	0.5
347.09271	2.2
347.13052	0.3
348.06287	0.3
348.10059	2.2
349.07196	1.4
349.10916	0.8
350.11453	0.7
351.05179	0.9
353.06598	0.3
358.08505	0.3
359.09311	0.7
360.10117	1.8
361.07242	0.5
361.10788	0.7
362.07687	0.2
363.08832	4.8
363.13129	0.4
364.09543	7.9
365.10184	2.1
365.14230	0.5
366.11148	5.4
366.15555	0.3
367.11569	0.8
375.08820	2.4
376.09592	7.5
377.10199	1.8
378.11169	4.9
379.08310	0.3
379.11932	2.6
381.13531	0.6
391.12097	1.8
392.12469	0.3
393.10004	1.5
394.10663	24.6
395.11023	2.8
409.13007	100.0
410.13361	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	16.5
60.01591	0.6
61.98714	2.2
71.02059	1.1
82.67339	0.3
99.92487	1.5
100.85746	0.4
100.93249	1.1
109.02869	1.0
110.03519	0.8
111.00795	0.4
115.91987	46.1
116.91994	3.1
116.92787	1.0
120.46336	0.4
121.02850	1.4
123.00822	0.6
124.01556	0.6
132.92213	0.4
133.02884	1.0
139.03926	0.8
148.01607	4.8
149.02396	2.4
150.03174	5.5
150.76938	0.4
154.07803	0.5
157.06532	0.5
162.84300	0.3
163.03954	0.5
167.05098	0.4
177.01837	0.6
181.06543	1.2
183.08095	0.5
185.06039	1.1
187.07603	0.8
195.30067	0.4
197.06018	1.0
198.06799	0.7
199.07629	3.2
211.07600	0.7
212.08357	0.4
213.05524	0.9
217.08665	0.5
217.30513	0.4
225.05573	1.4
226.06290	0.8
227.03705	0.7
227.07146	0.8
229.05090	0.5
237.05621	0.5
238.06329	0.7
239.07140	1.7
241.05037	0.9
243.06581	0.6
249.05647	0.4
250.06308	0.4
253.05133	0.5
255.06624	0.4
263.07031	0.5
267.06662	1.2
275.07047	0.5
275.10968	0.5
279.06726	0.4
289.08771	0.5
291.06644	0.9
291.10251	0.6
291.19659	0.7
293.04642	0.8
303.10352	0.8
304.07413	1.0
305.08322	1.2
307.06339	0.6
307.09946	0.4
309.20856	0.9
316.07358	0.8
317.08224	1.0
318.09225	0.7
319.09756	1.4
321.07733	0.6
323.05746	3.0
329.08337	0.7
330.08896	0.6
331.09732	1.0
335.05670	2.2
335.09314	1.1
336.06396	0.6
337.11273	0.5
346.08609	0.7
347.09497	1.8
349.07309	1.0
351.09076	0.7
351.16272	0.6
357.07736	0.7
358.08414	0.8
359.09286	0.9
361.07266	0.6
363.08813	1.3
364.09607	10.8
365.10077	2.4
375.08826	2.9
376.09604	25.2
377.10120	3.5
379.12057	1.6
391.11966	23.4
392.12305	3.1
393.09875	0.6
394.10648	27.6
395.11176	3.4
400.19864	0.5
409.13010	100.0
410.13309	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	409.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
61.98686	0.2
70.85564	0.7
79.01797	0.3
79.05438	0.3
80.40440	0.2
81.73415	0.2
87.00771	0.2
93.03367	0.6
107.04957	0.5
109.02867	0.6
121.02870	0.4
123.66113	0.2
124.58379	0.2
131.04915	0.4
132.02054	1.1
133.02872	0.7
139.03864	0.3
145.02890	1.6
147.04427	0.4
148.01602	3.2
149.02362	0.6
151.00288	0.8
157.06499	0.3
159.04367	0.4
160.01497	0.2
161.02380	0.5
161.05943	0.4
163.03987	0.3
171.08092	0.4
172.05225	0.3
173.02353	0.3
173.06013	0.6
174.03108	0.4
175.03957	0.6
175.07581	0.4
181.06535	0.3
183.08087	0.4
185.06020	0.6
186.06816	0.3
187.03970	0.8
187.07556	0.6
189.01877	0.4
189.05508	0.3
196.05220	0.4
197.06078	0.7
199.07535	0.4
200.04810	0.3
201.01845	0.3
201.05511	0.9
202.06329	0.9
203.03479	0.5
203.07074	1.0
209.06145	0.4
211.03981	0.4
211.07614	0.4
212.04715	0.5
213.05447	0.7
214.02657	0.4
214.06319	0.5
215.03438	0.8
215.07082	1.0
217.08675	0.6
221.06075	0.3
222.03090	0.3
223.07570	0.3
225.05576	0.7
226.06450	0.3
227.03470	0.4
227.07104	0.7
229.05060	1.7
230.05765	0.7
231.03131	0.3
237.05501	0.4
239.03500	0.4
239.07147	0.7
241.05119	1.2
242.05753	0.5
243.06621	0.4
245.08139	0.5
249.09343	0.5
251.07027	0.6
253.05130	1.0
254.05867	0.4
255.06645	3.0
256.07346	1.4
257.04559	0.6
257.08014	0.3
258.05344	0.5
261.09491	0.3
263.10831	0.5
265.05139	0.5
265.08716	0.5
266.06198	0.3
266.09372	0.3
267.06665	1.8
268.07391	1.0
275.10858	0.4
277.05331	0.3
277.08722	1.0
278.09103	0.3
279.06812	0.4
279.10345	0.6
280.11142	0.3
281.04630	0.4
285.07678	0.4
286.08548	0.6
289.08673	0.6
290.09579	0.3
291.07028	0.4
291.10275	1.8
292.10962	0.5
293.04587	1.2
293.08273	0.8
295.06271	0.5
301.08755	0.6
303.06979	0.4
303.10355	0.9
304.07410	0.4
304.10889	0.5
305.04572	0.6
305.08267	0.7
305.11710	0.3
306.05362	0.3
306.08807	0.3
307.06320	0.5
307.09692	2.3
308.10428	0.6
311.05792	0.4
317.08243	0.8
318.08804	0.6
319.06421	0.5
319.09790	2.9
320.10403	0.8
321.04150	0.6
321.07730	2.2
321.11057	0.5
323.05750	1.8
329.08295	0.4
331.09836	1.4
332.10541	0.5
333.07697	1.0
335.05722	0.5
335.09277	3.0
336.10010	2.3
337.10831	2.1
345.07693	0.5
346.08301	0.3
347.09265	2.9
348.06454	0.4
348.10037	2.1
349.07120	1.8
349.10870	1.1
351.05115	1.5
351.08807	0.4
358.08450	0.3
359.09525	1.2
360.10138	2.3
361.06985	0.5
361.10788	0.8
363.08743	4.6
363.12985	0.3
364.09579	6.1
365.10257	1.8
365.14243	0.4
366.11105	7.0
366.15530	0.5
367.11530	1.0
375.08765	2.0
376.09622	5.4
377.10144	1.0
378.11148	6.5
379.11832	2.8
380.12732	0.3
381.13480	0.6
391.12051	1.6
393.09933	1.3
394.10654	26.8
395.11057	3.4
409.13000	100.0
410.13327	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	409.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.9
61.98703	0.6
71.01247	0.5
71.51606	0.6
72.99213	0.4
85.02853	0.4
93.03340	0.8
94.53436	0.4
106.45173	0.4
109.02871	0.9
121.02855	1.6
123.04449	1.1
131.04935	0.5
132.02003	0.4
133.02878	1.0
139.03938	0.7
143.94580	0.4
145.02872	0.7
147.04422	0.6
148.01605	3.6
149.02353	1.4
150.03140	2.1
162.32874	0.4
163.03918	0.4
165.05560	0.4
178.44032	0.3
181.06573	0.5
183.08018	0.5
185.06052	0.5
186.06836	0.6
187.03926	0.4
187.07588	1.1
197.06001	0.6
198.06879	0.4
199.07608	1.8
203.03374	0.5
203.07037	0.8
209.05888	0.6
213.05615	0.9
215.03566	0.6
215.07225	0.7
217.08611	0.5
223.07603	0.5
225.05579	0.7
226.06375	0.7
227.07204	0.7
229.05132	0.9
238.06270	0.6
239.07126	1.1
240.04385	0.4
241.05038	1.5
241.60460	0.5
242.05763	0.5
243.06973	0.5
251.07092	0.7
253.05170	0.6
254.05853	0.5
255.06606	1.0
256.07230	0.5
263.07104	0.5
267.06689	1.1
275.10599	0.6
276.07742	0.4
277.08792	0.8
279.06610	0.9
281.04794	0.5
286.08313	0.5
287.07462	0.4
289.08701	0.8
291.07065	0.5
291.10291	1.4
293.04559	0.6
293.08096	0.8
295.06250	0.6
303.10278	0.7
305.04736	0.6
305.08258	1.2
307.06189	0.9
307.09866	1.4
316.07394	0.5
317.08289	0.7
318.09067	0.6
319.06458	0.5
319.09717	2.0
320.10583	0.5
321.04224	0.6
321.07697	1.6
321.11249	0.6
323.05762	2.0
325.07080	0.5
331.09818	1.0
335.05710	1.0
335.09332	2.5
336.10062	1.1
337.10919	1.1
345.07547	0.5
346.93546	0.4
347.09290	2.7
348.09964	1.5
349.07178	1.4
351.05045	0.7
351.08789	0.7
358.08444	0.6
359.09305	1.0
360.10068	1.0
363.08939	2.2
364.09558	5.9
365.10214	2.6
366.11041	3.1
375.09210	0.8
376.09595	13.4
377.10211	2.1
378.11206	3.0
379.12234	1.9
383.12164	0.4
391.11929	10.7
392.12347	2.1
393.09937	1.6
394.10638	31.9
395.10947	3.0
409.12988	100.0
410.13358	15.0
410.19034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2212
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.46799	0.4
59.01257	3.8
60.59271	0.5
62.65453	0.5
64.46995	0.5
71.11492	0.6
75.57813	0.6
78.95794	100.0
96.96862	9.0
97.89362	0.5
98.20593	0.7
150.97934	1.8
152.99525	94.6
153.99869	1.6
166.16269	0.5
171.00594	74.8
172.00885	1.5
179.00601	0.5
183.01216	0.7
183.23860	0.6
305.69052	0.5
321.52240	0.6
325.18628	2.0
347.17340	0.7
407.22043	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.0
61.98712	0.6
65.03843	1.3
69.03340	0.7
71.59378	0.6
75.00755	2.4
78.95790	0.7
83.95422	0.5
90.89845	0.5
91.05438	3.1
93.03362	1.2
95.04926	0.6
96.95882	0.8
96.96851	1.1
97.02850	2.4
108.02085	5.1
109.02866	12.3
110.03195	0.6
121.02872	14.5
122.03714	1.2
123.04385	0.9
133.02882	3.2
134.03676	6.5
135.04445	26.2
136.04752	1.4
147.04463	7.0
147.08061	2.5
148.01657	0.6
148.05327	3.4
160.05241	1.2
161.06009	5.6
162.51057	0.5
173.06006	3.7
174.06679	0.5
174.99225	0.7
177.09180	6.7
186.06862	0.7
186.17365	0.6
187.07579	0.5
189.09178	22.2
190.09494	1.2
201.09137	1.0
203.10751	21.2
204.11044	1.6
215.10735	5.7
216.11507	2.0
219.26241	0.6
238.06337	0.7
241.05083	1.6
255.06694	1.1
256.07397	4.4
269.07364	1.2
279.09161	0.8
281.15521	1.1
291.19696	1.2
307.13419	1.2
307.79553	0.7
309.10272	1.1
309.20731	2.4
310.12134	0.7
321.10251	6.1
323.12061	1.6
325.14511	100.0
326.14813	11.2
347.12747	5.9
347.16721	1.0
364.13220	0.6
381.34540	0.6
407.10370	0.8
407.14996	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	406.0609
Annotation	Scolopendrine
Peak:m/z	Relative Intensity
59.01266	19.3
61.98722	6.1
71.01277	3.5
71.51447	1.1
72.00788	2.4
73.02838	1.1
77.77496	0.7
79.71342	0.9
79.95628	17.6
80.96402	1.9
89.02319	1.8
93.03359	1.2
99.20458	0.9
100.00291	7.0
101.02340	1.6
107.04944	3.0
113.02396	0.9
117.03384	6.9
119.04945	75.5
120.05261	3.2
134.06042	9.3
136.07588	1.7
145.02893	37.2
146.03279	1.6
146.06058	1.2
147.04424	1.2
162.05551	2.8
163.03969	15.1
176.07141	2.1
180.06680	5.5
206.04596	19.4
214.01828	7.7
222.28864	1.1
282.11502	13.1
283.11792	1.2
286.00366	2.3
326.10355	4.5
362.07114	5.2
363.07584	1.0
389.06924	1.4
405.25214	2.6
406.06116	100.0
407.06564	13.7
407.26517	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	407.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18434	7.5
57.03332	7.1
59.01262	100.0
61.07711	8.4
61.98709	33.4
71.01268	48.1
71.50965	12.6
73.02847	12.5
75.08321	7.4
85.02834	11.9
89.02355	27.9
90.96167	8.6
101.02343	22.8
108.79172	8.2
113.02361	17.7
115.50983	8.8
119.03437	17.4
119.04948	14.4
125.02347	8.5
194.05957	12.7
197.04590	9.8
201.88449	7.9
209.08179	27.9
281.96866	9.3
347.16962	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	405.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	8.7
59.01261	3.7
61.98711	2.6
69.03344	8.7
69.18179	4.4
69.70168	0.3
71.01264	5.6
72.99201	6.4
79.01797	1.2
81.03383	0.4
83.01316	0.5
83.04925	1.1
85.02825	0.8
85.06478	1.9
87.00777	1.1
89.02330	0.8
95.01290	1.0
97.02848	4.0
97.06495	0.4
98.20553	1.0
99.08064	0.9
101.02332	0.7
107.01303	4.6
108.02076	2.0
109.02866	0.7
111.08074	1.0
113.02363	0.7
113.09621	0.5
119.04935	0.7
121.02898	0.8
121.06515	1.3
123.00783	2.2
125.02376	11.3
127.07586	0.6
133.02856	0.5
135.00848	0.4
135.04427	0.4
136.01614	0.9
137.02377	1.2
138.57333	0.4
139.07442	0.5
143.10707	4.3
149.02333	0.6
150.05473	0.5
151.00308	8.7
151.03978	0.6
152.01016	0.9
153.01897	2.6
153.12825	0.9
155.10718	0.5
161.02422	0.5
163.03958	1.3
165.09055	0.4
167.44566	0.3
171.13884	0.6
177.01929	1.1
187.77133	0.4
211.17075	0.5
229.18140	3.6
242.05856	11.1
243.06624	7.2
271.06241	0.6
285.07904	0.9
297.06207	2.6
297.24536	0.6
299.22357	0.5
315.25446	10.9
316.25900	1.5
369.26315	0.7
387.27618	23.3
388.27890	3.2
405.11453	2.5
405.28665	100.0
406.29013	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	405.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83622	9.6
51.28259	9.7
59.01267	100.0
61.98714	37.3
71.01307	19.2
77.21581	12.2
80.91590	11.7
87.25113	10.6
89.02350	12.9
96.95921	24.3
101.91006	11.4
103.67266	11.4
114.03851	11.0
131.69696	11.8
222.56805	11.3
253.73456	12.4
282.28491	12.7
405.13089	93.0
405.18051	20.5
405.26541	28.3
406.13593	13.2
415.51465	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	405.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83622	9.6
51.28259	9.7
59.01267	100.0
61.98714	37.3
71.01307	19.2
77.21581	12.2
80.91590	11.7
87.25113	10.6
89.02350	12.9
96.95921	24.3
101.91006	11.4
103.67266	11.4
114.03851	11.0
131.69696	11.8
222.56805	11.3
253.73456	12.4
282.28491	12.7
405.13089	93.0
405.18051	20.5
405.26541	28.3
406.13593	13.2
415.51465	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	405.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03056	0.5
57.03337	9.6
59.01265	2.9
61.98715	2.3
68.99704	2.6
69.03338	1.4
69.22604	3.2
71.01276	5.6
72.99197	4.9
73.02839	0.9
75.00740	0.4
82.51836	0.3
83.01323	0.4
83.04916	1.2
85.02843	0.7
85.06487	2.8
87.00791	0.5
89.02307	0.8
97.06452	0.4
99.00777	9.4
101.02334	1.2
108.02067	0.6
109.02875	0.4
111.08051	0.6
113.02369	0.4
114.67153	0.3
121.06509	1.4
125.02328	0.5
137.02342	0.8
137.09669	0.5
143.10728	3.2
149.02345	0.6
151.03860	0.3
153.12784	1.3
157.08725	0.4
161.04539	0.7
165.05548	1.1
165.12617	0.3
171.13872	0.5
195.06595	0.5
213.15013	0.4
229.18089	3.2
239.20239	0.5
243.06703	0.9
243.16042	0.4
271.15897	0.3
297.24393	0.6
299.22235	0.4
305.16113	1.7
315.25464	11.0
316.25800	1.2
341.26895	0.6
357.13443	0.8
369.26328	0.6
387.27625	25.1
388.27942	2.7
404.63553	0.5
405.28668	100.0
406.29001	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	405.2141
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.14251	0.5
55.01764	1.4
57.03341	4.5
58.00480	5.1
59.01262	100.0
60.01601	1.3
61.98698	1.2
71.01268	73.9
71.51312	0.8
72.01624	1.2
72.99190	6.4
73.02829	5.1
75.00755	0.8
81.03358	0.6
83.01274	4.2
85.02841	16.0
87.00767	5.5
89.02335	85.7
90.02686	0.6
95.01286	5.6
97.02872	0.8
99.00788	2.3
99.04396	0.6
101.02344	47.4
102.02694	0.7
107.87865	0.5
111.99512	1.0
113.02350	33.7
114.02702	0.9
119.03413	38.2
120.03760	0.8
123.08083	1.0
125.02388	1.8
128.03464	1.2
131.03429	3.8
143.03456	8.0
143.04501	0.9
149.04491	2.7
155.98476	0.8
159.03011	1.2
161.04504	20.4
162.04858	0.8
162.14050	0.5
166.05070	1.6
167.05386	0.6
167.10756	1.6
167.30524	0.5
179.05579	16.5
193.08519	0.6
243.16086	1.5
249.06226	1.7
290.18982	0.5
307.08099	1.3
405.21411	26.0
406.05893	1.2
406.17303	0.6
406.21719	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	405.2142
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01766	0.7
57.03336	2.4
58.00471	0.8
59.01267	17.8
60.01597	0.3
61.98722	1.6
62.36449	0.3
69.03338	0.4
71.01271	17.4
71.04897	0.8
71.51453	0.5
72.99191	2.3
73.02837	3.0
81.03307	0.4
83.01272	1.4
83.04912	0.4
84.02071	0.3
85.02847	5.6
85.06534	0.3
87.00777	1.1
88.45142	0.3
89.02341	8.1
95.01289	1.2
95.80766	0.3
97.02836	0.6
99.00773	1.7
101.02348	11.4
107.67754	0.3
109.02862	0.4
113.02361	6.6
119.03417	2.1
123.08078	0.4
125.02352	0.5
125.09637	0.7
125.99477	0.6
134.06981	0.3
137.02339	0.8
143.03416	0.6
143.10663	0.3
159.02905	0.6
161.04492	3.1
165.05536	0.3
181.15863	0.3
187.09677	0.5
225.14969	5.4
229.18095	0.6
243.16049	10.8
244.16330	0.5
254.16307	0.3
315.25513	2.0
317.13913	0.4
336.50241	0.3
342.93884	0.3
352.32935	0.3
361.12900	0.5
387.20459	1.9
387.27634	5.0
405.21350	100.0
405.28525	17.2
405.72308	1.3
406.21695	10.3
406.28827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55711	0.5
56.08904	0.5
59.01264	100.0
60.01612	1.1
61.98714	9.3
65.56815	0.4
69.26252	1.1
69.26669	4.3
71.01267	0.7
73.02842	0.6
78.95802	0.6
83.01299	0.6
83.22876	0.5
90.68094	0.6
93.07008	2.0
101.02396	0.6
205.08684	0.6
213.18607	4.8
343.28549	3.3
381.98260	0.6
403.30347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1716
Annotation	Erythrivarone B
Peak:m/z	Relative Intensity
69.76942	1.1
72.99989	0.2
93.03364	0.2
98.19812	0.4
123.92393	0.2
133.02863	1.1
134.03596	0.2
134.68661	0.2
135.04462	0.6
157.06580	0.2
161.02415	0.4
173.06126	0.3
185.06021	0.3
189.01869	0.2
207.08162	0.2
214.02574	0.3
223.07567	0.2
235.07707	0.3
237.05629	0.3
239.07095	0.4
250.06473	0.2
251.07181	0.5
253.05028	0.3
254.05772	0.2
263.07150	1.9
265.04837	0.3
268.06647	0.2
278.05756	0.2
278.12631	0.2
279.06787	0.6
281.04547	0.7
282.05359	0.3
293.04642	0.6
295.06186	3.6
296.06503	0.4
303.10315	0.2
304.02512	0.2
305.11673	0.3
306.05338	0.2
307.06195	19.5
308.06473	1.4
309.07742	0.2
317.08334	0.2
319.06284	0.4
319.09686	0.2
321.07846	0.3
321.11444	0.5
329.08292	0.3
333.07733	0.2
333.11435	0.4
335.09268	1.0
336.09772	0.2
336.30453	0.2
338.04373	0.4
345.07568	0.2
347.09296	3.5
348.09506	0.5
349.10898	2.1
350.11591	2.1
351.11984	0.2
353.84689	0.2
361.10876	3.1
362.11459	0.2
373.14587	0.3
375.12607	0.3
382.10660	4.7
383.10953	0.7
389.13989	1.6
390.14774	0.5
404.16214	0.2
405.17145	100.0
406.17505	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	405.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03049	0.7
57.03338	15.2
58.00486	3.4
58.53550	0.5
59.01265	100.0
60.01617	0.8
61.94059	0.4
61.98694	1.3
62.44246	0.5
65.16311	0.5
70.00270	1.1
70.00663	1.5
71.01270	74.6
72.01607	1.0
72.99200	5.8
73.02837	2.3
74.02367	0.6
75.00756	0.8
83.01286	2.6
83.04910	1.0
85.02842	12.2
87.00777	4.3
87.16326	0.5
89.02338	91.8
90.02657	0.8
95.01284	4.5
96.68665	0.6
98.19936	0.6
99.00787	1.0
99.04401	0.6
101.02347	37.0
102.02721	0.8
102.07293	0.5
112.05190	2.3
113.02358	32.8
114.02674	1.2
119.03423	37.0
119.04924	2.1
120.03760	0.6
125.02358	0.8
128.03450	0.6
128.74493	0.5
129.03798	0.7
131.03439	4.6
134.07288	3.8
137.09622	2.4
139.11209	0.8
143.03450	7.4
143.04468	0.6
149.04482	3.5
149.09663	37.9
150.09947	2.6
161.04509	7.3
165.01909	0.8
167.10733	85.7
168.11046	4.4
176.01732	0.9
179.05585	16.8
180.05797	0.6
204.04855	0.7
207.13849	2.6
212.32539	0.6
225.14966	9.6
226.15340	0.9
243.16144	2.5
246.26271	0.6
247.05478	1.5
290.09720	1.1
307.08072	0.6
318.12738	1.0
361.13425	4.1
373.10275	0.9
405.12778	1.6
405.21387	19.0
405.26398	1.0
406.06003	1.5
406.21628	2.5
417.27020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2139
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01759	1.1
57.03335	7.8
58.00485	4.6
59.01263	96.3
60.01608	0.9
61.98723	1.3
69.03368	0.8
69.41973	1.8
69.42397	3.9
70.48923	0.5
71.01269	64.7
71.04902	11.7
72.01610	1.1
72.99202	5.8
73.02843	4.3
77.95868	0.6
83.01295	3.1
83.04936	1.6
85.02839	14.3
86.26891	0.5
87.00772	5.4
87.04408	1.2
89.02337	72.9
89.10490	0.5
89.88654	0.7
90.02673	0.7
95.01278	5.1
97.02869	1.4
97.06494	1.7
99.00803	1.4
99.04456	1.1
101.02344	43.1
102.02705	0.7
109.06501	1.7
111.08050	6.8
113.02357	26.3
114.02713	0.9
119.03416	37.6
123.08073	6.7
125.02383	1.5
125.06023	2.4
127.07552	0.7
128.03476	1.0
131.03435	3.0
135.08087	0.7
141.09142	4.4
143.03444	5.2
143.04482	1.2
149.04512	2.3
149.09705	1.6
151.11220	1.4
153.09152	1.6
159.02853	0.9
161.04488	8.1
163.11278	1.8
165.12952	0.7
167.10725	2.4
169.12263	1.0
177.09143	2.1
178.09949	0.9
179.05577	16.0
181.12283	5.7
189.12808	1.8
192.11562	1.6
195.60353	0.7
199.13403	0.9
207.13890	20.7
208.14282	1.7
225.14952	24.6
226.15276	1.2
236.69562	0.5
243.16025	9.7
244.16504	0.6
247.05542	0.8
265.98764	0.6
290.09821	0.9
307.08047	1.7
318.13058	0.6
361.13531	0.7
382.93185	0.8
387.20267	7.5
388.20807	1.3
405.21390	100.0
406.21680	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	403.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22292	6.0
59.01265	39.5
61.98713	63.2
67.04670	6.0
69.49921	29.8
69.50335	16.0
87.00790	10.2
89.02351	6.2
95.04913	5.5
98.20499	11.6
104.82212	5.1
112.15400	5.3
122.49695	6.1
123.37477	5.6
199.07727	6.6
241.08786	12.1
293.02609	6.1
330.05563	8.0
346.64850	6.3
361.10971	13.9
403.11929	100.0
403.24588	16.9
403.29037	12.0
404.12036	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	403.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89465	0.7
59.01266	5.1
61.98713	5.6
65.03809	0.7
67.01750	1.4
68.56307	0.6
69.82138	4.4
87.00767	0.7
93.03313	0.9
109.02805	2.2
117.03326	1.2
118.95664	0.8
121.02859	0.9
123.00658	0.8
123.04417	1.3
133.02869	6.3
133.48083	0.7
134.03604	1.0
135.04362	2.7
141.01619	0.9
149.02333	1.1
155.08516	1.6
157.06520	3.7
161.02364	1.5
185.05785	0.8
197.05940	0.8
199.07634	18.3
200.07864	1.6
223.07510	2.5
225.05510	0.8
227.06750	0.7
239.77138	0.6
241.08777	3.4
267.06448	0.9
299.10623	1.0
301.08505	1.4
303.10297	0.8
315.10156	0.8
317.08112	1.2
317.11746	1.4
331.09637	0.9
343.09738	0.9
345.07272	1.2
347.09116	1.4
359.09390	3.5
360.09662	1.2
361.10925	14.3
362.10928	2.6
380.08957	0.8
385.10587	0.8
387.12338	1.2
403.11588	100.0
403.15332	10.4
403.28317	2.2
404.11880	13.0
404.15887	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	72.8
61.06838	8.8
61.98715	100.0
66.40063	10.3
69.20393	9.6
69.57478	66.6
71.01258	13.5
117.48383	11.4
120.93128	10.1
141.01736	12.6
163.88411	9.6
216.54933	9.8
239.19461	11.3
295.23740	10.5
376.17892	11.2
403.15747	63.5
403.24268	26.7
403.29105	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	403.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02244	7.7
59.01258	66.2
61.98727	53.4
71.51870	16.0
85.02800	9.1
100.17210	7.9
138.43311	8.0
191.71449	9.5
241.05153	17.8
403.12009	100.0
403.29361	10.4
404.12161	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	403.1558
Annotation	Sericetin
Peak:m/z	Relative Intensity
56.26377	0.3
59.01270	1.6
60.64797	0.2
61.98716	1.7
64.42666	0.3
69.81509	1.6
78.95787	0.8
93.03343	0.3
107.04943	0.5
117.03423	0.3
123.04399	0.5
133.02885	2.8
133.26859	0.3
134.03687	0.4
135.04469	0.6
172.05266	0.3
185.06046	0.5
197.06068	0.3
207.08241	0.3
209.09763	0.6
213.05536	0.4
225.09279	0.5
226.10051	0.3
237.05328	0.3
238.06061	0.4
241.12305	1.0
245.09816	0.7
267.10352	0.3
269.11890	0.6
289.08701	0.4
290.09183	0.3
303.10297	0.6
305.08475	0.3
307.06232	1.0
318.05432	0.3
319.09918	0.4
330.08929	0.4
331.09909	1.1
333.07773	1.2
345.07697	0.9
347.09271	2.2
348.10132	0.8
359.09283	1.3
359.16492	0.4
362.07986	0.8
369.11264	0.6
370.11954	0.4
380.09058	2.2
381.09390	0.5
385.14590	4.7
386.14856	0.6
387.12402	2.4
388.13177	0.9
403.15588	100.0
404.15906	13.9
404.21252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.0
57.90150	0.6
58.00472	0.8
59.01268	8.5
60.99190	0.7
61.98717	9.5
63.99688	0.6
65.96612	0.6
69.35779	0.7
71.01273	3.2
71.04900	0.8
72.99199	3.8
73.02827	1.5
75.00739	1.2
83.01279	1.5
83.04899	2.1
85.02828	1.1
85.99995	1.6
87.00773	3.0
87.04403	1.2
89.02339	1.4
95.01295	0.7
97.06477	1.9
98.19781	2.0
99.00780	2.2
101.02356	1.1
109.02896	0.7
111.04395	0.7
113.99497	15.6
115.00317	1.1
119.04984	1.3
125.02378	0.9
130.33430	0.6
134.17586	0.7
137.02361	1.0
147.02888	0.7
149.02451	0.9
151.00342	0.8
151.03984	1.5
153.01918	1.1
156.00587	4.3
157.01180	0.6
161.02353	1.7
162.03148	2.2
163.03906	1.1
164.04823	0.7
174.01656	100.0
175.02158	2.8
177.05579	0.9
179.03465	4.4
179.07115	1.0
180.04266	4.8
194.05788	2.3
195.06578	2.5
196.06906	0.7
197.11862	1.2
209.08261	5.8
210.08641	0.9
235.17024	1.3
249.14977	2.1
251.16550	2.3
261.14917	0.7
263.16592	2.8
267.16022	1.6
269.97174	0.7
271.06107	1.0
279.16049	1.5
285.13547	1.4
307.15567	50.1
308.15884	4.3
321.17233	0.8
343.08353	0.7
349.16672	2.0
367.13678	1.1
367.17734	11.0
368.18069	1.8
385.26007	3.8
403.10278	1.7
403.15143	5.0
403.22467	1.4
403.27170	19.6
404.27509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66963	0.2
59.01267	1.1
61.98721	1.1
65.03854	1.2
67.01777	1.3
69.59260	0.7
69.59682	0.5
78.95795	1.0
79.05445	0.2
80.96204	0.4
93.03362	0.6
98.19872	0.3
102.41069	0.2
103.05426	0.2
107.04929	0.2
109.02861	1.7
117.03370	0.7
119.86635	0.2
123.04439	1.2
131.04919	0.8
132.02129	0.9
132.05437	0.2
133.02884	4.5
134.03685	0.9
135.04454	2.6
155.08600	1.1
157.06543	3.1
158.06963	0.2
159.04427	0.4
171.08133	0.4
173.06035	0.5
180.05794	0.2
181.06558	1.5
183.04443	0.4
185.06067	0.3
195.08102	0.4
197.06053	0.7
197.09711	0.8
198.06699	0.3
199.03889	0.5
199.07628	16.7
200.07997	1.2
209.06126	0.4
221.09795	0.2
222.06784	0.3
223.07649	2.1
224.07968	0.3
225.05679	0.9
225.09178	0.2
227.03404	0.3
227.07101	0.3
231.08179	0.2
237.05634	0.3
239.07159	0.4
240.07625	0.2
241.08707	3.1
249.09248	0.5
251.07062	0.4
257.09698	0.7
259.07663	0.2
261.09290	0.2
267.06744	1.6
271.11353	1.1
273.09299	0.4
277.05380	0.2
281.04727	0.3
287.07098	0.3
287.10864	0.4
289.08899	0.4
289.12326	0.4
299.10934	0.5
300.07941	0.3
301.08768	1.6
303.06848	0.3
305.04562	0.3
315.10315	1.0
316.07309	0.2
316.10892	0.4
317.08176	0.7
317.11826	1.0
319.09750	0.3
321.07959	0.2
331.06076	0.2
331.09851	0.4
342.08585	0.2
343.09879	0.7
345.07718	0.6
359.09274	2.0
359.13153	0.5
360.09964	1.2
361.10907	13.3
362.11261	1.7
385.10880	1.1
386.11090	0.2
387.08752	0.3
388.09802	0.2
403.11938	100.0
404.12250	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.1
61.07664	0.3
61.98713	2.3
69.20816	0.3
70.01726	0.6
70.02110	0.9
79.05412	0.8
81.35988	0.4
86.78632	0.4
87.00756	1.2
93.03345	1.0
95.04937	0.3
107.04936	1.8
110.85345	0.3
117.03379	0.7
121.02862	1.6
123.04454	1.1
129.06987	1.0
130.11052	0.3
131.04967	0.8
132.02068	0.8
133.02888	6.1
134.03636	0.6
135.04462	2.1
142.65651	0.3
155.04944	0.4
155.08585	1.9
157.06570	0.7
159.04488	0.4
162.19173	0.4
168.95969	0.3
175.03981	0.4
181.06549	1.4
195.07971	0.4
197.06061	0.9
197.09634	2.2
199.07637	2.8
209.06075	0.7
211.07599	0.8
222.06854	0.5
223.07651	4.4
224.04750	0.6
224.08003	0.4
225.05624	2.2
225.08928	0.4
237.05920	0.4
239.07115	0.8
241.08728	12.3
242.09062	1.1
251.07164	0.7
267.06686	4.8
270.10550	0.5
271.11316	0.9
273.09357	0.5
274.09604	0.4
299.10837	0.4
300.07932	0.5
301.08691	1.0
313.08435	0.4
315.10236	0.9
316.10883	0.4
317.08334	0.7
317.11774	1.1
321.07797	0.4
330.05533	0.5
331.09799	1.0
333.11340	0.8
343.09799	3.9
345.07742	1.5
357.11346	0.4
359.09134	1.1
359.13095	0.8
360.09857	0.6
361.10867	11.0
362.11090	1.3
367.09827	0.5
375.12570	2.4
385.10883	8.4
386.11203	1.2
387.08728	1.4
388.09241	0.4
403.11935	100.0
404.12274	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	402.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95228	0.2
59.01277	1.2
71.01269	0.5
78.95792	100.0
89.02370	0.6
89.52035	0.2
96.96863	13.9
113.80202	0.2
121.02855	0.5
140.01064	0.4
193.55595	0.2
245.99718	0.3
296.49094	0.2
307.74509	0.3
314.07498	0.3
342.11273	1.0
402.24167	29.2
403.24530	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	402.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93876	0.2
59.01263	1.1
61.98695	0.2
62.96279	0.2
71.01265	0.5
71.51961	0.4
78.95795	100.0
89.02336	0.4
90.06077	0.2
92.76154	0.2
96.96864	13.4
104.50039	0.2
140.01128	0.8
160.66986	0.3
167.06763	0.2
179.45972	0.2
249.39268	0.2
342.11316	0.7
402.24176	28.0
403.24500	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	5.5
58.00483	0.8
59.01262	10.7
61.98695	1.6
69.03316	0.8
69.50658	2.8
69.51073	1.1
71.01262	5.1
71.04915	0.7
72.99181	1.4
73.02850	1.2
83.04921	1.2
85.02827	2.7
85.06486	0.7
87.04412	6.3
89.02338	5.1
91.03896	7.3
97.02869	0.5
97.06496	1.5
98.52318	0.5
101.02364	2.9
109.06501	1.3
111.04440	0.7
111.08073	6.3
113.02340	2.3
119.03420	1.5
119.04969	0.5
121.02837	2.6
127.07552	1.2
131.03410	0.6
135.04353	0.6
140.96959	0.4
146.96657	0.5
161.04504	1.5
169.12268	3.7
171.10188	1.0
177.09102	0.9
179.05551	1.1
179.14392	1.9
181.06392	0.6
181.12312	2.1
195.13884	6.5
197.11812	28.3
198.12158	1.5
199.13361	4.1
211.13391	4.4
221.15468	5.9
223.13403	1.1
227.12776	0.5
233.15497	0.8
239.16542	67.5
240.16859	4.6
246.73851	0.5
263.20242	0.6
269.10367	1.0
273.18738	0.6
291.19711	15.5
292.20001	1.2
297.07538	0.6
309.20776	45.1
310.04846	0.8
310.21188	5.1
325.07193	1.0
327.21826	100.0
328.22177	11.4
341.10956	6.1
391.43292	0.5
401.08920	1.1
401.14731	1.9
401.24951	2.5
402.25284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	5.5
58.00483	0.8
59.01262	10.7
61.98695	1.6
69.03316	0.8
69.50658	2.8
69.51073	1.1
71.01262	5.1
71.04915	0.7
72.99181	1.4
73.02850	1.2
83.04921	1.2
85.02827	2.7
85.06486	0.7
87.04412	6.3
89.02338	5.1
91.03896	7.3
97.02869	0.5
97.06496	1.5
98.52318	0.5
101.02364	2.9
109.06501	1.3
111.04440	0.7
111.08073	6.3
113.02340	2.3
119.03420	1.5
119.04969	0.5
121.02837	2.6
127.07552	1.2
131.03410	0.6
135.04353	0.6
140.96959	0.4
146.96657	0.5
161.04504	1.5
169.12268	3.7
171.10188	1.0
177.09102	0.9
179.05551	1.1
179.14392	1.9
181.06392	0.6
181.12312	2.1
195.13884	6.5
197.11812	28.3
198.12158	1.5
199.13361	4.1
211.13391	4.4
221.15468	5.9
223.13403	1.1
227.12776	0.5
233.15497	0.8
239.16542	67.5
240.16859	4.6
246.73851	0.5
263.20242	0.6
269.10367	1.0
273.18738	0.6
291.19711	15.5
292.20001	1.2
297.07538	0.6
309.20776	45.1
310.04846	0.8
310.21188	5.1
325.07193	1.0
327.21826	100.0
328.22177	11.4
341.10956	6.1
391.43292	0.5
401.08920	1.1
401.14731	1.9
401.24951	2.5
402.25284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	1.3
58.00478	0.7
59.01263	9.4
69.03349	0.5
71.01264	4.7
71.04932	0.3
72.99189	0.7
73.02836	1.0
80.02576	0.4
81.03358	0.3
81.57869	0.2
83.01285	0.4
83.04918	1.1
84.45869	0.3
85.02837	4.3
87.00780	0.4
89.02338	5.4
89.81293	0.2
91.03901	21.2
92.04264	0.4
93.03360	0.4
93.68701	0.2
95.01273	0.3
95.04920	0.8
97.02879	0.6
97.06487	4.7
99.00764	0.4
101.02363	1.8
109.02866	0.5
109.06458	0.6
110.03689	0.4
111.08054	0.5
113.02354	1.0
119.03445	0.4
119.04945	0.3
121.02876	5.5
123.04411	0.3
123.08083	0.5
125.02403	1.4
125.09625	1.3
127.11229	1.4
127.74951	0.2
133.02907	0.4
135.04446	0.6
137.02328	0.3
137.09628	0.9
139.00418	0.3
152.57246	0.2
155.10687	0.9
155.14334	0.4
161.02383	0.7
161.04546	0.5
161.05902	0.2
163.03883	0.2
163.11276	0.5
164.01103	0.3
165.12801	1.7
167.10738	0.5
167.14330	1.1
171.10220	8.6
172.10539	0.5
177.01831	0.4
177.12790	1.1
179.03497	0.4
179.05522	0.5
181.06549	0.4
181.12276	0.6
183.13857	4.3
185.11824	1.6
189.01906	0.8
190.42967	0.3
192.59605	0.2
193.12337	1.6
195.13802	0.5
197.11821	0.7
199.13338	0.3
203.07091	0.5
203.10765	0.6
209.11789	2.2
211.13380	25.7
212.13663	1.5
217.08705	0.3
221.11826	3.7
225.05562	0.3
227.12878	0.7
229.14462	17.1
229.47836	0.3
230.14760	1.2
239.12936	2.9
247.20709	0.9
257.13947	0.4
269.10379	0.9
273.18802	0.3
291.19714	6.9
292.20084	0.8
309.20767	9.0
310.21149	0.6
313.07089	1.1
327.21820	100.0
328.22150	10.8
341.10892	2.8
357.06268	0.4
369.06186	0.3
383.11591	0.3
401.08658	1.3
401.12994	2.3
401.20837	0.5
401.24829	2.1
402.08939	0.3
403.97714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03340	2.0
58.00482	0.9
59.01264	10.9
69.03336	0.9
71.01274	6.2
71.04913	0.8
72.99200	0.6
73.02843	0.8
82.78256	0.3
83.01260	0.4
83.04911	0.9
85.02843	5.3
87.00748	0.3
89.02338	6.6
91.03905	23.6
92.04215	0.5
92.48551	0.3
93.16043	0.3
95.04916	1.2
97.02859	1.3
97.06493	5.1
98.19720	0.4
99.08098	0.3
101.02351	1.6
107.04917	0.4
109.02853	0.5
109.06469	0.3
110.03626	0.6
111.08096	0.5
113.02346	1.0
119.03462	0.5
121.02958	0.4
121.86098	0.3
123.08085	0.4
125.09594	1.8
127.11209	2.6
137.09634	0.9
152.01012	0.5
155.10742	1.9
155.14357	0.7
161.04524	0.6
163.11162	0.6
165.12785	1.8
167.14339	0.9
171.10222	11.1
172.10541	0.6
173.16319	0.4
175.11270	0.5
177.12793	1.9
179.05559	1.0
181.12392	0.6
183.13870	4.9
185.11847	2.0
193.12256	1.6
195.13889	6.8
197.11806	1.0
199.13376	0.4
200.10320	0.3
203.10670	0.8
209.11771	2.4
211.13391	25.0
212.13783	1.7
221.11800	4.6
222.12228	0.4
227.12874	0.7
229.14461	16.8
230.14799	1.1
235.59186	0.3
239.12923	8.7
239.23799	0.3
240.13214	0.7
247.20724	0.7
269.10388	0.8
276.83862	0.3
291.19754	7.6
292.20090	0.8
307.19974	0.3
309.20782	12.0
310.21100	1.2
327.21838	100.0
328.22186	10.3
341.10938	2.4
401.14523	0.7
401.25528	1.4
401.29282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69389	0.6
55.01776	2.4
57.03339	3.5
58.00478	1.4
59.01265	29.9
62.43977	0.5
62.46170	0.5
65.38059	0.6
67.01810	0.6
68.99680	0.6
69.03354	0.9
71.01270	28.8
71.51722	1.0
72.01645	0.9
72.99202	2.6
73.02834	6.5
75.00761	1.2
75.64765	0.5
83.01272	4.8
85.02840	12.2
87.00775	2.5
89.02334	15.5
95.01283	2.8
97.02894	0.7
97.06515	0.7
99.00790	2.6
99.04438	0.9
101.02344	19.4
107.04923	2.2
109.02901	0.7
113.02361	9.6
113.03086	0.9
113.06038	0.8
119.03416	5.0
121.02889	1.3
123.08085	2.8
125.02370	1.0
125.06028	0.6
137.09680	0.6
140.77861	0.7
143.03439	1.2
151.07599	1.0
153.09212	0.8
159.02985	0.9
161.04529	4.5
161.09653	1.4
163.03969	0.8
165.09158	1.3
177.01865	0.7
177.12814	5.4
179.03497	0.9
179.05591	2.2
179.10750	2.6
194.19234	0.6
195.13910	2.3
203.10814	2.0
220.11127	0.7
221.09795	1.2
221.11803	10.4
232.63832	0.6
237.07883	0.8
237.15311	0.7
239.12933	1.3
247.08102	0.9
269.10260	1.5
324.43405	0.6
341.10971	7.3
342.11221	0.7
359.11301	0.7
387.11090	2.4
401.18307	100.0
402.13379	1.6
402.18472	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.9
57.03336	10.8
58.00469	2.5
59.01264	70.8
60.47809	0.9
69.03338	3.9
69.47433	9.2
71.01268	62.6
71.04908	6.1
72.39748	0.9
72.99184	6.2
73.02828	15.3
75.00753	2.1
81.03340	2.4
83.01271	8.6
83.04920	2.8
85.02842	54.7
86.00001	1.9
87.00777	17.9
87.04398	10.7
89.02337	38.2
93.03349	1.1
95.01289	4.0
95.04916	2.4
97.02854	4.4
97.06528	1.3
99.00774	11.3
99.04413	3.0
101.02348	45.0
102.02650	1.2
107.04940	2.0
109.02888	2.5
109.06559	1.3
111.04418	4.4
113.02354	26.6
113.05972	1.1
119.03425	19.2
121.02806	1.4
121.06505	3.0
123.04456	2.6
123.08060	3.3
125.02360	5.2
125.06019	12.9
127.03917	2.8
129.01862	1.9
129.05501	1.8
131.03403	2.5
133.10268	1.0
135.04454	1.7
135.08052	2.1
136.05211	7.0
136.43515	1.1
137.02354	2.2
137.05998	1.7
137.09637	6.3
138.05586	1.1
138.06807	5.6
139.03929	2.4
139.07594	5.8
141.05484	2.5
143.03409	3.6
145.05002	7.2
147.08101	2.9
149.04839	0.9
149.05978	5.6
149.09668	1.6
150.06828	7.9
151.07588	12.7
152.08348	3.4
153.01942	1.3
153.09135	16.3
159.02869	1.3
161.02377	1.0
161.04507	14.3
161.09668	4.9
163.11288	1.3
164.03494	7.0
164.08365	4.1
165.09160	66.2
166.09483	3.4
167.10744	1.1
169.05078	1.5
170.05817	1.2
175.07600	1.3
177.09158	22.0
177.12785	2.5
178.04555	1.3
178.09921	4.9
179.05554	5.3
179.06976	1.8
179.10730	6.3
181.05025	1.3
181.08690	2.3
182.09404	4.4
187.07581	1.2
189.09158	2.1
191.10823	2.1
193.08728	6.1
193.12323	1.3
203.10770	4.3
205.08583	1.2
205.12309	3.7
206.09464	5.4
207.10123	1.5
216.32825	1.0
219.10417	4.9
220.08875	2.1
220.11050	38.8
221.11821	23.9
222.08878	1.1
222.12189	2.1
223.13396	19.7
224.13766	2.2
235.08195	2.2
237.11400	9.2
239.12926	8.9
245.11858	1.1
247.08257	67.6
248.08611	3.2
261.11472	1.3
263.12979	4.8
269.10339	1.8
281.14041	14.2
299.15121	1.8
323.15179	1.4
341.11026	5.8
383.17209	16.4
384.17401	1.6
386.16000	1.3
401.18289	100.0
402.14249	1.4
402.18674	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	401.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.0
57.03344	3.8
58.00469	1.2
59.01267	26.1
60.01616	0.7
65.51735	0.3
69.39407	2.5
69.39816	0.6
70.30155	0.3
71.01270	29.7
72.99197	2.6
73.02834	7.5
75.00768	0.6
80.00115	0.3
81.03337	0.5
83.01276	5.0
85.02847	12.7
85.99993	0.5
87.00797	1.9
89.02338	12.0
90.84421	0.4
95.01296	2.5
97.02859	0.8
98.19809	0.8
99.00790	3.5
99.04431	0.6
100.66447	0.3
101.02348	19.9
102.02686	0.5
107.04932	6.2
108.02061	0.4
109.06481	0.5
111.00809	0.7
113.02357	11.3
113.07769	0.3
115.00287	0.4
119.03423	3.5
119.04884	0.6
121.02879	2.2
121.06450	0.4
123.08087	3.6
125.02380	1.0
129.01866	0.4
131.03461	0.6
135.07997	0.3
143.03421	0.7
149.02438	0.4
151.03986	0.5
151.11223	0.6
159.02908	0.8
161.04512	5.3
161.09683	0.6
177.09161	0.5
177.12814	6.4
179.05563	0.8
179.10762	0.5
195.13858	2.4
196.54407	0.3
221.11810	4.8
239.12961	0.5
249.06180	0.5
269.10413	1.1
283.92014	0.4
292.26489	0.4
311.05569	0.4
341.10840	3.4
357.19379	0.4
362.64828	0.4
383.17276	0.5
401.18332	100.0
402.18701	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	401.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90546	0.8
55.01766	4.0
57.03329	3.0
58.00467	1.4
59.01264	33.1
61.86056	0.9
69.03343	0.8
69.53849	3.9
69.54255	1.8
71.01269	57.3
72.01589	1.5
72.99206	2.0
73.02835	26.6
75.00759	1.1
76.46730	0.8
83.01273	8.9
85.02846	25.4
85.99986	1.0
87.00770	3.7
89.02332	12.0
95.01286	3.6
97.02864	1.5
98.20531	1.7
99.00787	12.5
101.02345	40.7
101.03015	2.0
108.02106	0.9
108.44517	0.8
112.01611	1.6
113.02354	25.1
115.01259	0.9
119.03410	1.1
125.02351	1.8
129.01933	1.1
131.03455	1.6
143.03424	3.7
159.02924	4.9
161.04503	33.8
165.09169	2.5
179.07085	1.7
191.05588	1.0
221.11852	3.9
269.10370	63.2
270.10712	3.1
313.49982	0.9
314.83319	0.9
341.10760	1.7
401.14566	100.0
402.14865	10.5
403.50027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1462
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01770	4.4
57.03332	4.3
58.00471	1.9
59.01266	38.6
69.03336	4.1
70.88694	0.7
70.99795	1.5
71.01270	81.8
72.01596	0.8
72.99203	4.2
73.02835	34.3
75.00739	3.7
81.03337	1.5
83.01280	12.0
85.02842	38.2
85.99984	0.7
86.03159	1.3
87.00777	7.9
87.04402	1.2
89.02341	22.8
91.12080	0.6
95.01289	5.8
97.02869	6.2
97.75327	0.6
99.00779	15.0
99.04401	1.2
101.02348	62.1
101.25317	0.7
102.02665	1.5
109.02859	0.8
111.00769	1.4
113.02358	29.7
114.02681	0.9
115.00262	1.3
115.03922	4.4
119.03413	3.4
121.02859	1.4
123.04401	2.0
125.02360	8.0
129.01834	1.4
131.03413	4.9
135.04433	0.7
137.02357	1.5
138.06728	0.8
139.00166	0.7
143.03453	4.7
145.04984	0.7
147.00798	1.2
149.04449	4.1
149.05917	1.1
151.03883	0.9
151.07561	1.4
152.08340	0.8
153.01883	1.6
153.09142	1.4
159.02924	6.4
161.04500	39.6
162.04828	1.1
163.00246	1.3
163.03836	0.9
165.01834	1.2
171.06575	0.9
177.01845	1.0
179.03452	1.7
179.05547	1.6
180.04149	1.4
190.99849	3.5
191.05553	1.3
193.05048	1.5
195.06628	2.3
205.03517	2.5
206.02202	4.2
221.04581	8.3
221.11780	1.1
233.06631	6.3
239.05553	1.9
247.08141	1.9
247.23636	0.8
255.05165	2.1
269.10358	85.4
270.10666	5.7
293.08899	4.6
305.23053	0.7
309.10001	0.8
313.09418	1.3
341.10959	4.7
401.14508	100.0
402.14868	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	401.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35514	3.0
58.00452	3.2
59.01266	100.0
69.81250	11.8
69.81656	6.9
71.00890	6.1
71.01270	67.7
72.99192	3.2
73.02875	4.1
85.02838	7.2
87.00745	4.6
89.02335	90.9
90.02633	3.8
101.02360	29.2
113.02360	24.8
119.03442	22.7
131.03416	3.6
143.03435	6.4
161.04517	5.1
179.05565	24.1
183.82523	3.3
237.41136	3.3
325.01526	2.8
341.06815	5.0
341.10947	99.1
342.11240	8.5
357.08426	3.6
377.97546	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	401.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.4
57.03339	2.2
58.00478	1.5
59.01265	22.2
61.42924	0.9
65.00223	1.0
70.74110	0.9
71.00896	1.8
71.01270	27.2
71.54233	1.2
72.99210	1.1
73.02840	10.7
75.00777	1.2
77.03867	2.3
79.01778	1.1
81.03345	1.2
83.01279	4.9
85.02847	14.6
85.03300	1.6
87.00790	4.6
89.02338	7.8
93.03358	4.2
95.01299	2.9
95.04936	0.9
97.02853	1.5
99.00779	6.8
99.04421	1.2
101.02350	22.1
105.03382	1.6
107.04990	1.3
109.02847	1.9
111.00787	1.1
112.01597	0.9
113.02354	11.1
117.03366	16.1
119.03471	1.1
119.04959	6.5
121.02868	3.6
122.96185	0.9
123.04427	0.9
125.02367	4.4
126.29458	0.9
133.02805	0.9
135.04439	4.0
137.02405	1.8
143.03447	1.1
147.04431	1.3
149.02391	3.0
149.05983	1.1
159.02924	2.4
159.04475	3.2
161.02448	7.6
161.04489	13.0
163.00330	1.9
163.03967	12.2
165.01846	1.8
165.05508	7.1
173.06071	0.9
175.03951	1.3
177.01848	1.6
179.03374	2.0
179.05644	1.1
191.03484	2.4
193.04927	2.0
197.06012	1.2
203.03445	2.4
211.07639	1.2
224.04897	0.9
225.05737	0.9
239.07138	3.1
248.94095	0.9
251.16673	1.3
251.57423	1.0
253.05011	1.2
255.07080	0.9
268.03806	5.2
269.04587	9.3
269.10349	25.1
270.10837	1.4
278.78397	0.9
281.04620	12.8
282.05389	8.4
283.06177	60.0
284.06552	4.3
293.04654	3.0
295.06204	6.4
309.04141	2.1
311.05676	92.1
312.06067	10.0
314.04565	1.6
323.05646	11.2
341.06720	32.7
341.10953	7.6
342.07114	3.9
347.05984	1.0
383.07828	2.9
401.08841	100.0
401.14542	39.1
402.09195	12.5
402.14963	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	401.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.9
59.00991	1.2
59.01265	14.4
61.98695	0.9
65.00201	1.0
71.01263	8.0
71.54292	1.1
72.99188	2.4
73.02835	1.7
75.00764	0.9
77.03861	1.6
79.01804	1.3
83.01279	1.1
85.02864	2.4
87.00772	2.6
89.02341	6.8
90.84170	0.6
91.73688	0.7
93.03355	2.3
95.01286	0.8
96.95942	0.9
97.02868	1.0
97.06525	0.7
99.00780	1.8
99.04426	1.0
101.02335	3.9
105.01850	0.9
105.03412	0.8
109.02863	1.1
113.02370	2.7
114.02788	0.7
117.03369	15.0
119.03436	1.6
119.04938	1.8
121.02886	3.4
123.04438	1.0
125.02368	1.0
133.02888	1.8
135.00763	0.8
135.04433	2.3
137.00563	0.7
137.02357	1.1
142.99864	1.1
147.04468	1.0
149.02385	2.8
151.00305	1.3
151.03987	0.8
153.01863	0.7
153.09213	0.7
159.04509	2.2
161.02385	8.9
161.04501	2.1
163.00301	3.6
163.04007	4.7
164.01028	0.6
165.01886	2.3
166.29492	0.7
169.08902	0.6
175.03969	2.1
177.01894	1.4
177.05527	0.7
177.07188	0.7
179.03485	1.9
179.05602	2.4
180.82738	0.7
181.03940	0.9
183.04459	1.5
183.08168	0.7
185.02428	1.0
191.03394	1.5
193.05035	0.8
197.06065	1.5
201.05479	0.8
203.03473	1.5
211.07547	1.9
221.12041	0.8
224.04878	1.7
225.05542	1.2
237.05534	1.1
239.07100	2.2
240.04465	1.0
253.05090	2.6
254.05876	1.1
268.03836	7.5
269.04578	19.8
269.10410	1.4
270.04834	1.5
281.04593	23.9
282.05356	23.0
283.06161	49.4
284.06674	4.7
293.04562	2.6
295.06180	10.6
308.03305	2.5
309.04138	2.8
311.05664	100.0
312.06021	8.3
314.04379	1.4
323.05634	16.6
324.05933	1.5
325.07288	1.6
326.50552	0.8
337.07333	1.6
339.04996	0.7
341.06775	71.2
341.10919	8.0
342.07034	6.9
347.05551	1.2
353.06525	1.9
365.06680	2.8
383.07748	14.0
383.12592	0.8
384.08258	1.3
395.35519	0.7
401.08826	81.4
401.13565	5.2
401.18079	1.9
402.09204	9.1
402.14050	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	401.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	3.4
69.25037	2.1
69.25472	3.0
71.01286	3.5
73.02847	0.7
77.03848	3.9
79.01788	1.6
85.02831	0.9
85.41499	0.5
87.00770	1.7
89.02337	1.5
93.03349	3.7
95.01270	0.8
97.02881	0.6
98.20631	0.7
101.02333	1.1
105.03340	1.8
108.02044	0.5
109.02850	1.1
111.37750	0.6
113.02368	0.9
117.02566	1.0
117.03378	14.7
119.04942	1.8
121.02866	4.3
133.02870	1.5
135.04436	4.7
137.02350	1.1
147.04442	0.7
148.01538	0.9
149.02396	3.9
159.04453	4.3
161.02386	7.7
161.04489	0.6
163.00291	1.7
163.03978	6.2
165.01849	0.8
167.03537	0.9
171.08096	0.5
173.02365	1.1
175.03879	1.1
177.01907	1.0
179.03496	1.3
185.02394	0.9
191.03438	2.0
195.08206	0.6
196.05116	1.1
197.06017	1.3
199.57570	0.6
203.03494	1.8
209.06075	0.6
211.07645	1.2
213.05589	1.1
215.07170	1.2
221.11720	1.1
224.04718	1.3
225.05580	1.4
237.05656	0.8
239.07181	2.5
251.16454	0.8
253.05058	0.9
267.06427	0.6
268.03845	4.1
269.04626	5.1
281.04642	6.7
282.05359	2.6
283.06183	72.9
284.06467	6.3
285.07306	0.5
293.04575	2.7
295.06226	3.3
308.03308	0.8
309.04147	1.2
311.05685	90.5
312.06039	8.1
313.07254	1.2
314.04486	1.4
323.05725	6.5
324.05798	0.9
341.06812	12.1
341.10971	1.8
342.06970	1.5
357.09842	2.3
383.07941	0.8
387.10947	1.5
401.08856	100.0
402.09186	12.1
402.13980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.4
61.98700	0.2
62.96267	0.2
66.27763	0.1
69.82378	0.1
71.01261	0.2
71.07980	0.2
71.08319	0.2
77.39748	0.1
78.95792	100.0
89.02336	0.3
91.62447	0.1
96.96860	13.2
119.95566	0.1
121.02905	0.2
140.01102	0.6
249.23534	0.1
260.11996	0.1
263.32538	0.1
314.83237	0.1
321.82657	0.1
341.10840	0.7
400.22653	24.7
401.22925	3.1
401.27786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.7
61.98705	0.2
62.96292	0.3
69.26699	1.2
69.27100	0.2
71.01260	0.9
72.61651	0.1
73.02862	0.1
78.95795	100.0
89.02338	1.1
96.96863	12.4
101.02386	0.5
113.02377	0.3
119.03391	0.3
121.02859	1.3
140.01128	0.6
179.05533	0.4
313.07312	0.3
341.10941	1.8
397.58777	0.2
400.22662	25.1
401.08792	0.2
401.22894	3.0
401.27356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04740	0.9
59.01265	31.8
60.01592	3.7
60.01902	1.3
61.01674	1.4
61.98717	100.0
70.01993	4.2
75.00758	0.9
77.13619	0.8
84.15276	0.8
88.84426	1.0
92.11414	0.9
94.85450	0.7
98.20455	1.1
115.15645	0.8
143.78726	0.8
160.50766	0.9
339.27139	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	399.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.4
70.32957	3.1
72.83065	0.7
82.17143	0.7
83.03168	0.8
90.73857	0.7
98.19823	1.0
111.50795	0.6
207.46211	0.7
336.33984	0.8
369.83035	0.8
399.22736	1.2
399.31412	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	399.1457
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
57.03329	3.6
58.36909	0.9
59.01274	5.5
60.22436	0.9
61.98700	1.4
64.29671	1.0
66.56940	0.9
71.51299	1.8
80.56955	0.9
83.01297	1.7
83.04923	1.1
85.02840	15.5
86.39912	0.9
99.04409	1.1
99.90438	0.9
101.06013	5.5
107.04935	3.7
107.08584	1.7
109.02861	2.9
109.06494	4.8
116.03183	1.1
122.03683	1.2
124.01576	3.8
125.02394	1.4
125.09671	9.8
127.03928	2.3
133.02863	6.3
136.51534	1.1
137.02298	1.3
138.03166	2.9
148.05264	1.1
149.02454	1.1
150.03191	2.1
151.07607	10.3
161.02386	74.2
162.02748	3.3
163.11208	1.9
164.04762	2.1
168.04263	2.0
169.12283	4.7
175.11215	11.6
176.04794	2.4
193.12369	1.7
195.10283	4.2
207.10272	1.5
219.10269	38.5
220.10603	1.7
237.11345	69.0
238.11711	3.5
336.15149	1.3
353.92172	1.1
399.14590	100.0
399.27945	2.8
400.14929	13.1
416.97208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1305
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
52.56229	0.9
59.01258	9.8
61.98704	2.6
68.99702	1.6
71.01265	5.3
71.59718	1.2
71.60157	1.0
72.99197	43.1
73.02828	1.3
73.99543	1.1
75.00762	3.0
75.82574	1.0
83.04916	1.2
85.02838	2.0
87.00764	2.5
89.02317	1.8
93.03347	8.6
95.04913	1.7
97.06485	21.2
99.00780	3.2
101.02321	2.1
103.00271	2.7
107.04932	7.8
108.02084	13.0
109.02901	5.4
109.68726	0.9
109.72120	1.0
111.00797	1.4
111.04423	3.8
113.02303	1.2
117.03365	1.0
119.04973	1.6
121.02869	47.6
122.03693	11.3
123.04454	6.1
125.02358	1.5
133.02840	1.6
135.04417	6.3
136.05196	3.2
137.02382	12.6
138.05510	1.2
145.02869	3.2
147.00812	4.0
147.04462	1.8
149.02393	3.2
149.05977	1.9
150.03113	1.4
150.52342	1.0
151.00304	0.9
151.03905	4.3
152.01073	1.9
153.01868	3.0
161.02345	4.1
163.03958	11.4
163.07648	1.0
164.04729	5.6
165.05461	2.2
175.07465	1.3
177.01898	1.5
177.05511	2.7
177.09125	2.6
179.03459	57.1
179.07098	3.6
180.04243	13.1
189.01920	2.5
193.08612	1.1
194.05811	2.5
194.09465	6.8
195.06631	8.7
195.10254	3.1
201.09081	1.6
207.02948	6.4
208.03683	3.3
210.63753	1.3
215.60948	1.1
219.06641	2.4
219.10297	1.9
237.07695	2.5
245.93350	1.0
277.10880	12.1
305.10306	5.1
309.04022	2.0
315.07483	1.0
323.11417	7.4
337.12897	5.2
367.10416	4.3
399.13000	100.0
400.13351	10.6
417.13251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.1
59.01257	4.1
61.98699	0.6
63.97964	0.6
65.00181	0.7
70.75854	1.6
71.01254	0.6
72.99191	0.8
77.03880	1.0
79.01788	0.9
79.05403	0.6
83.01285	1.0
85.02843	0.6
87.00779	0.9
87.35799	0.4
93.03352	0.5
93.93844	0.5
95.01320	0.6
103.05465	1.0
107.01273	0.7
107.04906	1.7
108.02080	0.8
109.02856	18.6
110.03181	0.6
121.02850	2.6
123.04378	0.9
124.01581	0.8
125.02370	6.6
131.04959	3.2
133.02914	2.8
135.04413	0.8
136.01593	1.8
137.02368	1.2
138.03183	0.7
148.01642	0.5
149.02383	7.8
150.03079	1.3
151.00313	0.8
151.03906	0.8
159.08096	0.6
161.02341	1.2
163.03970	0.9
164.01111	1.1
165.01875	1.7
166.02682	1.2
173.02362	0.9
174.01732	1.1
174.03177	1.5
175.04044	0.7
175.07578	0.6
176.01085	0.6
177.01897	19.0
178.02327	0.8
178.99762	1.1
187.07608	1.5
191.06976	0.6
193.01390	2.0
193.08583	0.7
194.02187	0.9
197.06055	0.7
199.07719	0.5
201.01897	4.5
201.05501	0.9
202.02579	1.5
203.07076	0.8
204.04341	0.7
205.01379	0.6
205.08479	0.6
211.07573	1.0
217.08633	0.6
219.06448	0.9
220.92853	0.6
226.01207	0.7
229.05093	1.2
231.06635	0.9
233.07831	0.6
237.05551	0.5
239.07111	1.5
241.05028	1.3
247.06201	2.7
253.05060	1.5
254.05704	0.9
255.03069	0.6
255.06494	0.8
261.07700	19.6
262.08069	1.7
265.04959	1.2
267.06659	1.3
269.04474	0.5
281.04599	10.4
282.05383	18.1
283.06085	7.6
284.06573	0.8
289.07175	8.7
290.07455	1.1
298.04715	0.5
299.05560	0.7
301.03671	0.6
302.04391	1.7
309.04129	1.9
310.04956	4.8
311.05655	20.2
311.09116	0.7
312.06085	2.4
327.05081	1.8
328.05862	0.8
329.06555	1.3
342.03867	3.4
353.10254	1.8
355.07898	0.7
360.04913	1.5
363.08777	2.4
381.09869	33.3
382.10010	3.7
399.10895	100.0
400.11206	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	397.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26713	9.6
56.16363	7.1
56.94654	8.0
59.01250	29.5
71.00251	23.4
75.52417	9.0
79.95627	10.1
91.75619	9.7
96.95901	89.6
133.74962	9.1
299.26141	11.1
397.09680	8.1
397.22690	100.0
398.23331	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	398.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22598	0.4
59.01265	100.0
60.01606	1.6
61.01683	0.8
61.98719	9.7
71.58815	0.5
71.59224	0.5
78.33244	0.4
86.02364	1.2
100.97624	0.5
136.34067	0.5
174.79434	0.4
184.01031	0.5
231.88156	0.5
233.22900	0.4
238.18129	1.7
295.15652	0.5
320.25970	3.6
321.26395	0.4
338.27063	6.9
339.27328	0.9
341.38910	0.5
398.11417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93061	0.8
53.29205	0.7
59.01266	100.0
60.01614	1.2
64.19101	0.7
69.63213	1.3
69.63620	4.3
86.96621	0.8
89.38882	0.7
109.67629	0.8
113.81812	0.7
124.55859	0.9
217.00438	1.0
249.19418	0.8
252.81462	0.8
281.35291	0.8
318.13098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.5
59.01254	1.7
69.58653	1.8
69.59077	1.7
72.51365	0.5
73.02805	0.5
83.06043	2.2
88.78270	0.4
89.02340	0.7
90.63358	0.4
91.25762	0.4
93.03352	13.2
95.25105	0.5
96.95892	0.5
96.99209	2.5
108.02060	0.9
117.03362	1.7
119.04939	44.0
120.05261	1.6
121.02940	0.4
123.04419	0.9
130.04103	0.6
131.04971	3.1
132.05727	0.6
133.02864	1.7
133.06497	2.2
141.10263	0.9
143.04955	11.2
145.02872	1.9
147.04449	1.5
159.04408	0.6
163.03938	10.1
171.04430	0.8
185.09344	0.7
191.11784	1.2
197.09666	0.6
209.06165	0.5
210.06827	4.9
211.07625	40.9
212.08018	3.4
219.08134	0.8
221.09854	0.8
223.07661	1.2
233.12936	12.4
234.13304	0.9
235.07758	2.2
237.09251	3.6
239.10852	1.0
247.14603	2.2
265.08710	7.1
285.12561	1.2
304.42776	0.4
309.07761	1.9
337.18631	0.5
353.18692	2.6
379.16632	1.9
397.17737	100.0
398.18124	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	397.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01006	0.3
59.01267	2.3
67.99171	0.3
69.60734	2.4
70.29338	0.3
93.03368	0.5
100.64733	0.4
107.04945	1.1
109.02879	0.4
121.02827	0.5
123.04425	0.4
133.02844	2.5
135.04420	0.8
142.03738	0.3
149.06020	1.7
158.46051	0.3
165.01918	0.4
177.05519	0.9
179.03448	0.6
184.10274	0.3
199.04042	0.4
201.01891	0.4
203.03481	0.7
217.08813	0.6
223.07841	0.3
224.08609	0.3
227.07071	0.6
231.06697	0.4
235.09821	0.8
237.05476	1.7
239.07310	0.4
241.05115	0.3
245.08202	0.4
251.07184	1.7
252.07922	1.1
253.05170	1.1
263.07281	1.0
264.07907	0.6
266.05862	0.4
267.06689	1.9
268.07431	2.9
279.06610	1.9
280.07483	2.3
281.04663	6.8
281.07614	0.6
282.05154	0.5
295.06180	5.3
296.06885	4.0
297.07672	1.0
300.06323	0.5
307.06110	2.9
308.06979	2.3
309.07690	0.9
323.05701	0.9
328.05988	4.8
329.06241	0.5
337.11139	0.4
340.05887	2.1
345.07599	0.5
349.10849	2.2
353.10376	1.5
361.10541	0.5
367.08484	0.3
367.11926	13.1
368.12341	1.8
379.12000	21.3
380.12320	3.1
395.11502	2.0
397.13040	100.0
398.08420	0.6
398.13379	12.0
398.18616	0.6
409.12991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.7
59.01254	3.2
71.01257	2.0
71.52381	0.8
73.02843	0.5
74.74061	0.4
82.09596	0.6
82.16538	0.5
83.01275	0.6
84.68411	0.5
85.02859	0.5
89.02354	0.5
93.03353	0.6
95.01323	0.5
109.02846	0.9
116.13842	0.4
121.02860	0.7
123.04441	0.5
125.02354	0.6
133.02873	2.2
135.04430	2.1
151.03844	0.5
201.01939	0.5
231.06541	0.6
251.07210	1.0
253.05009	0.6
263.07315	0.8
267.06622	0.8
268.07480	0.8
269.07831	0.5
277.08530	0.5
279.06552	0.6
280.07632	0.7
281.04678	1.4
291.06943	0.6
293.04688	1.9
295.06186	5.8
296.06967	0.7
307.06198	5.9
308.06628	1.3
309.07751	0.8
313.26852	0.6
319.06168	5.4
320.06500	0.7
321.07687	0.7
325.14481	0.9
328.05945	1.5
331.09885	1.3
333.07846	0.7
335.09210	1.3
337.07236	22.0
337.10965	9.6
338.11490	1.2
340.05978	0.7
347.09283	2.4
348.10410	0.5
349.10873	14.3
350.11276	1.6
351.08807	4.6
361.10815	1.6
365.10443	2.1
366.11151	0.8
367.11935	11.2
368.12292	1.2
379.07477	1.1
379.11975	14.9
380.12360	1.7
395.11685	0.9
396.69968	3.9
397.13028	100.0
398.09131	0.9
398.13425	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	397.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00105	0.7
57.03320	1.0
59.01269	5.7
65.03861	1.1
67.01768	1.1
71.51208	0.7
79.05411	2.0
83.01283	8.2
85.02843	3.7
97.02845	0.9
99.04397	0.9
105.06416	0.9
105.07009	9.9
106.04151	0.8
107.04953	7.9
109.02865	1.4
119.08556	1.1
120.31979	0.9
121.06494	2.1
123.07278	1.1
123.08079	10.0
127.03915	2.7
130.96654	0.8
131.08551	1.5
133.02855	2.0
133.06480	1.2
135.04491	0.8
149.06017	4.1
155.08479	0.9
157.06566	1.2
161.01083	1.5
161.02396	20.4
161.09695	6.5
162.02740	1.0
167.10765	1.0
171.08075	1.5
173.09682	6.8
175.04002	2.2
175.07542	1.9
189.09200	1.7
191.10753	18.1
192.37711	0.8
193.08673	1.7
199.07643	1.1
205.08655	2.4
217.08723	30.5
217.10854	1.5
218.09019	1.7
235.09779	100.0
236.10132	7.6
241.16501	0.7
353.10284	0.9
353.27554	0.9
384.07153	0.7
397.13034	70.5
397.29965	1.4
398.13464	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	397.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25895	0.2
54.49234	0.2
55.01773	0.3
58.99920	0.2
59.01262	0.9
65.03829	0.2
70.47962	0.5
71.01266	0.2
81.81599	0.2
83.78443	0.2
85.02852	0.2
90.49765	0.2
93.03357	0.4
101.02423	0.2
103.05448	0.3
117.03377	0.3
119.04939	0.6
131.04987	0.4
132.02089	0.5
133.02876	2.8
135.04439	1.7
140.73061	0.2
146.85020	0.2
147.04495	0.3
159.04474	0.5
163.03947	0.3
165.05502	0.5
169.06609	0.2
173.06029	0.3
175.03926	0.2
180.05910	0.2
187.07716	0.2
191.03494	0.3
197.06093	0.3
203.03387	0.4
207.08200	0.2
209.06033	0.3
209.09523	0.2
216.31314	0.2
219.08156	0.2
221.09663	0.3
222.06897	0.2
223.07678	0.4
224.08525	0.3
225.05571	0.4
225.09259	0.2
235.07678	0.2
236.08623	0.2
237.05579	0.9
238.06325	0.5
239.07104	0.6
240.07965	0.4
241.08472	0.2
250.06343	0.4
251.07129	1.2
252.07893	1.1
253.05219	1.4
253.08609	0.7
254.05820	0.2
263.07269	0.6
264.07861	0.4
265.08743	0.7
267.06659	2.8
268.07446	3.9
269.08038	0.5
279.06674	1.8
280.07410	0.9
281.04614	10.4
281.07834	0.5
282.05170	1.0
286.91949	0.2
291.06784	0.2
294.05472	0.2
295.06177	6.9
296.03452	0.3
296.06931	10.1
297.07712	17.4
298.08032	1.5
300.06604	1.0
307.06271	1.5
308.06946	1.4
309.07739	22.1
310.08102	1.9
312.06516	0.2
321.11462	0.3
325.07251	1.3
326.07986	1.6
327.08801	9.9
328.05902	11.2
328.09192	0.9
329.06311	1.1
331.09869	0.5
340.05841	1.3
343.09833	0.4
349.10815	1.6
351.12305	0.4
358.07031	4.1
359.07394	0.5
361.10953	1.9
367.12030	0.7
379.11902	6.0
380.12360	0.8
395.11362	0.4
397.12988	100.0
398.13333	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	397.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13920	0.2
59.01255	1.0
67.01784	0.6
67.42313	0.2
69.23071	1.4
69.23499	1.6
71.01283	0.3
79.01840	0.3
90.28198	0.3
93.03328	0.7
109.02844	0.5
117.03330	0.4
119.04950	0.5
121.02950	0.4
123.04482	0.4
124.49994	0.3
131.04950	0.5
133.02879	3.3
135.04425	1.9
138.79054	0.2
147.04446	0.4
159.04430	0.3
161.02412	0.6
165.02028	0.4
175.03989	0.5
178.02715	0.2
181.06694	0.3
187.07603	0.4
191.03400	0.5
197.06067	0.6
199.07573	0.7
203.03502	0.4
207.08115	0.3
209.05988	0.5
209.09808	0.3
213.05635	0.3
215.03516	0.3
217.08748	0.5
222.06889	0.5
223.07648	0.7
224.04820	0.3
235.09804	0.5
237.05565	1.1
237.09126	0.5
238.06361	0.3
239.07042	0.5
241.05153	0.4
249.05766	0.4
250.06403	0.8
251.07210	1.5
252.07944	1.0
253.05006	0.5
253.08705	0.9
263.07227	0.4
264.07950	0.6
265.05267	0.4
265.08701	1.3
267.06656	2.1
268.07498	1.4
279.06604	0.8
281.04602	1.7
281.07785	0.5
295.06140	3.8
296.06885	2.0
297.07742	15.3
298.07999	1.4
307.06186	2.4
308.06836	1.1
309.07739	33.0
310.08066	3.6
325.07205	1.6
326.07959	5.2
327.08795	20.0
328.05783	0.5
328.09073	1.9
349.10849	1.2
351.12494	0.6
358.07013	16.2
359.07199	1.3
361.10822	1.2
379.11975	5.1
380.12381	0.5
395.11475	0.4
397.13004	100.0
398.13315	11.3
401.70319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	5.7
98.20567	2.5
121.02888	1.3
130.09589	1.0
148.01553	1.6
149.02429	1.2
151.00285	1.3
175.03978	1.7
189.05603	7.2
190.06332	5.7
212.22318	1.0
213.82481	0.9
217.00299	1.9
217.05045	2.1
229.15501	1.0
258.05734	1.2
270.01920	1.6
280.03873	2.8
281.04553	1.1
284.03079	1.3
295.06384	1.0
295.09753	1.1
296.03168	1.0
298.01352	1.8
299.05661	1.2
312.02826	2.5
323.09195	1.4
324.02762	4.4
327.05203	3.6
339.05298	8.0
339.09048	1.6
341.06821	1.2
353.10855	1.2
366.07657	5.4
367.08289	9.1
368.08698	1.5
381.09918	7.3
382.10645	36.9
383.11026	4.0
397.13010	100.0
398.13318	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	397.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29403	0.3
59.01141	1.6
59.01466	0.5
69.96088	1.0
69.96511	0.6
76.58624	0.3
82.61840	0.3
87.79420	0.3
99.98219	0.3
109.02697	0.9
113.81326	0.2
119.01147	0.5
119.04786	0.5
119.17368	0.3
121.02751	0.4
131.04855	0.3
133.02676	0.9
133.06404	0.3
135.04256	0.8
148.01408	2.0
149.02144	1.0
149.03227	0.3
150.02939	0.3
151.00168	0.7
159.04243	0.6
161.02274	0.5
161.05855	0.4
163.00169	0.4
164.04616	0.4
171.04361	0.4
173.05809	0.3
175.03896	2.0
177.05365	0.4
185.05861	0.4
187.00157	0.4
187.03885	0.6
188.04630	0.6
189.05539	6.4
190.06317	3.7
191.06590	0.4
199.03783	0.3
205.04979	0.4
215.03326	0.7
216.04179	0.4
217.01558	0.3
217.05096	1.5
218.05803	1.5
219.06310	0.3
224.04825	0.3
229.04990	0.7
230.05635	0.6
231.02959	0.5
233.04182	0.3
239.03256	0.4
240.04060	0.8
241.04875	0.6
242.02043	0.9
243.02820	0.4
251.06718	0.3
252.04372	0.4
253.04828	0.4
254.05792	0.3
256.03583	0.6
257.04446	1.0
258.05176	1.1
259.05713	0.3
267.02933	0.5
268.03720	0.9
270.01572	1.7
270.04889	0.6
271.02310	0.5
280.03662	2.3
280.06628	0.5
281.04529	0.7
283.02438	0.4
283.06030	0.7
283.09323	0.3
284.03320	1.6
295.06186	0.6
295.09402	0.5
296.03198	0.9
298.01392	1.9
299.05612	1.4
300.06287	0.4
305.08075	0.6
307.06113	0.5
308.06708	0.5
309.04129	0.4
309.07361	0.4
311.02267	0.4
311.05594	0.9
311.09006	0.3
312.02655	1.7
312.06308	1.1
321.07614	0.4
323.02258	0.4
323.05856	0.4
323.09097	1.5
324.02805	3.9
325.03094	0.6
326.04254	1.0
327.05215	3.4
327.08731	0.5
328.05569	0.9
335.05573	0.3
339.05026	5.3
339.08762	4.6
340.05405	0.4
340.09158	0.4
341.06607	1.9
349.07220	1.1
350.07672	0.5
352.05933	0.8
353.10315	1.9
364.09671	0.5
365.10324	1.1
366.07483	3.8
367.08255	14.6
368.08594	1.8
381.09879	9.0
382.10623	43.2
383.10965	4.4
397.12991	100.0
398.13324	11.8
414.09619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66345	0.2
57.03324	0.3
59.01260	0.7
62.91277	0.2
64.61697	0.2
65.00198	0.8
65.03853	0.3
66.46793	0.2
67.01773	0.7
69.69020	0.5
69.69433	0.9
79.01782	0.3
83.32243	0.2
85.02837	1.4
89.03875	0.5
89.80329	0.2
91.01793	0.5
93.08559	0.2
107.04965	0.4
108.02097	0.8
109.02852	1.7
109.06511	1.2
118.65000	0.2
120.06538	0.2
121.02868	0.9
122.03687	1.1
123.04455	0.5
127.07571	0.5
127.73633	0.2
128.61104	0.3
133.02881	5.2
133.06512	3.6
134.03239	0.2
135.04443	0.5
145.03000	0.3
148.01591	1.1
149.02361	3.2
150.03181	1.1
151.03922	0.6
157.10162	0.2
159.04353	0.4
161.02339	0.9
162.03145	0.3
165.09151	1.2
171.08047	0.3
173.02441	0.4
173.06049	0.3
174.03186	0.3
175.03969	1.8
176.01111	0.4
177.01907	1.8
177.09158	2.4
178.02647	0.4
185.05974	0.3
186.06877	0.4
187.03996	0.4
189.01877	0.8
189.09183	0.8
190.02693	0.7
195.10251	2.2
199.04005	0.7
199.07474	0.5
201.01900	3.5
201.09164	1.3
202.02626	0.4
203.07161	0.3
209.06042	0.4
210.06909	0.2
211.03932	0.4
211.07504	0.4
212.45029	0.2
213.05583	1.4
214.48495	0.2
215.03506	0.2
215.07214	0.3
217.05125	0.2
217.08640	0.8
219.10321	0.6
225.05501	0.6
226.06363	0.3
227.07098	0.5
229.05048	0.5
230.05902	0.3
233.08141	0.5
238.06372	0.4
239.06963	0.5
240.04233	0.2
241.04799	0.2
243.06624	0.6
245.08203	3.3
251.07140	0.5
253.05133	0.8
254.05785	1.2
255.06621	0.5
256.07513	0.2
263.09305	1.4
265.05090	0.4
265.08426	0.2
266.05807	0.4
267.06674	0.3
267.10291	1.5
279.06607	0.3
280.07379	0.4
281.04684	1.1
282.05380	1.1
283.06027	0.5
285.11557	0.5
295.06122	0.6
296.06857	0.7
297.04056	1.4
298.04916	1.9
307.13651	0.3
308.10614	0.6
310.04907	0.9
311.05652	0.9
312.06506	1.3
323.05615	1.2
323.12979	1.6
324.06198	0.5
324.13104	0.4
335.05664	0.3
335.12878	1.2
351.12274	0.8
353.06784	0.4
353.14047	0.7
367.11987	2.7
368.12366	0.3
379.11932	9.3
380.12192	1.4
395.11166	0.3
397.12994	100.0
398.13358	12.0
398.18680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17173	0.3
59.01265	17.3
60.01588	0.8
61.98724	0.7
69.48650	1.1
69.49064	2.2
71.01268	1.5
78.95795	0.7
79.01777	1.6
89.02341	1.4
97.02864	0.4
101.02361	1.6
107.04948	0.5
109.02857	0.4
109.69475	0.4
113.02378	0.6
119.40216	0.3
125.02322	0.4
131.04900	0.4
133.02881	1.8
135.04485	0.4
143.08595	0.5
148.01599	6.3
149.02312	0.8
150.03143	1.1
159.08066	0.5
161.95987	0.4
163.07619	1.8
172.05232	0.5
175.07567	0.6
177.01950	0.4
185.06009	0.8
187.07605	3.9
189.05551	0.7
201.01903	1.1
203.07147	1.4
209.06206	0.4
213.05634	0.6
217.00256	0.8
227.07208	0.5
229.18138	0.4
231.06635	17.5
232.06987	0.9
237.05534	0.9
239.03488	1.0
240.04292	0.5
249.05664	0.7
253.05116	0.8
255.06790	0.5
265.05188	2.2
267.03009	1.3
268.03763	1.5
277.08759	0.6
281.04623	1.0
282.05206	0.6
291.10236	0.6
293.04681	6.1
293.08206	0.9
294.05072	0.6
295.02606	1.0
295.05960	0.6
296.03186	0.9
297.03815	0.4
303.06705	0.9
305.08255	0.7
307.09671	0.6
309.04178	2.7
310.04257	0.7
317.08282	0.5
319.09790	0.9
321.04111	3.3
321.07733	0.9
322.04736	0.6
323.05701	1.7
331.05951	0.6
335.09296	1.5
337.10904	0.7
347.09140	0.8
349.07291	1.4
363.08810	1.0
364.09595	48.2
365.10120	9.4
366.10596	0.7
379.11935	52.7
380.12317	6.8
382.10547	2.5
397.12997	100.0
398.13354	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	397.0935
Annotation	Daunomycinone
Peak:m/z	Relative Intensity
51.79881	0.5
53.50120	0.5
57.03341	0.8
58.96792	0.6
59.01271	2.6
60.95007	0.4
61.98738	0.4
65.03843	2.2
66.83478	0.4
66.91853	0.5
67.01775	2.1
71.01260	1.1
73.02818	0.7
79.05406	1.0
83.04898	1.6
85.02833	0.5
85.06469	0.6
89.03878	0.7
91.01775	2.9
91.05412	0.6
93.03333	0.8
98.19728	0.8
98.74805	0.4
101.02335	0.6
105.03358	0.8
105.07001	0.6
107.04909	1.6
108.02099	0.7
109.02863	8.3
119.04904	1.3
119.32405	0.4
121.02824	0.9
121.06506	1.0
123.04416	1.3
123.08031	0.6
125.02402	0.5
125.84643	0.4
131.04927	0.8
133.02875	11.4
133.06477	1.4
135.04449	5.0
139.14987	0.4
145.06490	1.1
147.04449	4.6
147.08102	3.3
148.01605	0.5
149.02441	2.2
149.05969	1.5
151.00305	0.5
151.07620	0.9
153.05484	1.5
157.02888	0.9
159.04428	1.9
161.02376	1.1
165.05505	0.5
169.06552	0.5
173.06108	0.5
175.03934	1.6
177.01926	2.8
177.05528	3.9
179.03423	0.7
185.06027	0.9
187.04001	0.7
189.01843	1.1
189.05496	1.3
190.02586	0.8
191.03435	0.7
191.07104	14.2
192.07469	0.7
195.06551	1.9
201.00114	0.8
201.01907	11.1
201.05463	2.4
202.02319	1.2
203.03465	2.0
209.05998	0.7
213.05472	2.2
215.03377	0.5
215.07024	0.5
217.05019	1.6
219.06618	2.4
221.04498	3.1
225.05540	1.9
235.06018	2.4
239.07193	0.6
243.06589	1.3
245.04570	2.7
251.07079	0.5
253.08730	0.8
263.05408	3.0
265.04932	0.8
266.05829	0.6
267.06778	1.1
269.04556	0.8
279.10062	0.6
281.08160	1.8
283.06073	0.7
287.05325	0.6
295.06128	1.2
295.09467	0.5
307.06281	0.6
308.06784	0.5
309.07565	1.1
311.09286	0.5
323.05658	1.3
323.09158	1.8
325.07126	1.3
335.09259	1.3
337.07132	2.3
353.10315	1.6
355.08319	4.1
361.07220	0.7
367.08411	1.1
379.08234	7.2
380.08441	0.9
395.06677	0.6
397.09271	100.0
397.26056	2.2
398.09595	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	397.0936
Annotation	Daunomycinone
Peak:m/z	Relative Intensity
51.62134	0.3
57.03328	0.5
59.01247	1.9
65.03854	1.7
67.01772	1.1
68.32472	0.4
71.01276	0.6
79.05421	1.2
83.01324	0.4
83.04905	1.0
83.53317	0.3
85.02833	0.7
91.01781	1.8
92.22939	0.4
98.19782	1.3
99.00771	0.8
100.87946	0.4
103.05441	0.4
105.03381	0.5
107.04923	0.4
109.02866	5.7
119.04948	1.0
121.02911	0.7
121.06491	1.1
123.04434	1.7
133.02867	7.5
133.06511	1.1
135.04443	5.1
145.02907	0.6
145.06458	0.5
147.00731	0.3
147.04456	3.1
148.01576	0.5
149.02357	2.2
151.07614	0.7
153.05522	1.1
157.02899	1.4
157.06570	0.6
158.03697	0.4
159.04469	2.1
161.02400	0.9
161.05936	0.4
165.05504	0.7
169.06558	0.4
173.02357	0.6
175.03923	1.7
177.01913	1.4
177.05536	3.2
185.06073	0.4
189.01874	1.7
189.05547	1.0
190.02708	0.8
191.03462	1.3
192.96413	0.7
195.06665	0.9
199.07686	0.4
201.01924	8.4
201.05534	1.5
202.02457	0.8
203.03520	2.3
211.03937	0.4
213.05562	2.5
219.06618	1.0
221.04562	1.7
225.05583	2.2
229.66568	0.6
233.04639	0.4
237.05655	0.5
237.09013	0.4
239.07002	0.5
241.04951	0.4
243.06631	1.1
245.04601	2.8
253.05107	0.4
253.08670	1.0
262.06396	0.5
263.05695	1.3
265.05051	0.9
266.05856	0.4
267.06659	1.2
279.06683	0.8
279.09988	0.5
280.07455	0.4
281.05103	0.5
281.08292	1.3
291.06619	0.4
293.08313	0.9
295.06229	0.5
305.08060	0.6
309.07761	0.9
311.09274	0.5
316.16006	0.4
321.07523	0.6
323.05600	2.0
323.09314	1.5
325.07339	0.6
335.09238	1.0
337.07349	1.6
339.08777	0.7
351.08691	0.6
353.06509	0.5
353.10480	0.9
355.08310	3.4
367.08243	1.6
379.08252	6.2
380.08374	0.8
397.09317	100.0
398.09656	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	395.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93782	1.8
57.03339	91.1
57.63630	1.4
59.01265	100.0
64.04643	1.6
71.01277	25.9
71.52821	2.3
73.02833	8.8
76.69042	1.4
81.03357	1.6
83.01294	4.2
85.02854	10.7
87.00804	2.4
87.04441	1.5
89.02334	8.7
99.00758	3.5
99.04420	74.9
100.04762	1.6
101.02346	41.0
113.02356	10.6
119.03437	1.7
125.02371	39.6
143.03392	3.8
150.31451	1.7
154.05060	1.6
159.02985	2.8
161.04507	17.5
204.29054	1.7
233.10327	5.0
234.07805	2.2
237.08835	1.9
251.11398	55.1
252.11545	2.1
262.66888	1.8
293.12457	15.8
294.12946	2.0
299.57922	1.7
333.15652	2.8
335.17252	4.2
367.73886	1.9
395.10626	3.0
395.15530	14.6
396.16196	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	395.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01562	14.8
59.01263	100.0
61.98703	57.9
70.08482	49.2
70.08894	38.4
71.01259	40.6
98.20477	21.3
113.02374	21.2
119.04938	26.1
126.23857	14.7
149.10670	16.9
159.00620	16.3
166.96182	14.9
168.66507	15.5
219.99297	15.4
293.08060	16.6
300.64896	15.9
307.47269	14.8
351.12292	31.2
354.11484	17.8
362.05643	20.2
395.07324	23.3
395.12164	27.6
395.25143	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98951	0.6
57.11311	0.6
59.01262	3.0
65.00172	0.6
71.01257	0.8
71.54259	1.2
71.79855	0.6
80.96333	0.6
82.53000	0.6
84.33744	0.6
85.69044	0.6
88.23802	0.6
93.03377	1.4
100.93091	0.6
109.02865	2.6
113.02304	0.6
120.02042	0.7
120.11778	0.7
121.02848	1.3
133.02869	1.7
135.04425	1.8
147.00880	0.7
148.01605	16.9
203.07082	0.7
227.03464	1.7
237.32823	0.6
241.05107	2.8
251.07208	1.6
253.05269	1.4
262.06302	0.8
263.07202	1.7
265.08475	0.7
267.06201	0.7
271.06238	1.3
275.06854	1.1
277.08792	0.9
278.06009	0.8
279.06656	1.9
281.04550	0.7
290.05804	1.1
291.06683	2.1
292.07245	0.7
293.08289	2.6
295.06329	1.2
295.09814	2.6
296.10480	0.8
297.07739	2.3
303.06711	0.9
305.08252	2.4
306.05429	1.0
306.08762	1.1
307.06238	5.0
307.09494	1.0
316.06763	0.7
321.07700	1.5
322.08417	1.1
322.43555	0.7
323.09293	6.8
323.12857	1.1
331.09744	1.6
333.07538	1.5
334.04855	1.1
334.08514	1.7
335.05685	4.5
335.09357	2.1
336.06271	1.8
337.07126	1.4
347.05679	1.0
349.07196	2.7
349.11014	2.1
350.07935	2.9
351.08716	4.7
352.09528	2.6
362.07993	2.7
363.08499	0.8
365.06396	3.1
377.10309	7.6
379.08432	2.6
380.09082	77.6
381.09442	9.1
395.11429	100.0
396.11783	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	395.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37352	0.9
59.01257	3.7
61.98692	0.8
71.59441	1.2
109.02861	2.7
112.30478	0.8
121.02850	1.2
123.04431	1.6
124.01542	1.0
130.47810	0.9
130.91656	0.8
133.02893	3.4
133.06546	2.6
135.04457	1.0
148.01550	1.4
149.02367	2.1
151.03915	0.9
161.02332	1.2
165.09119	2.2
174.03149	1.0
176.01224	0.9
177.01898	1.0
185.06081	1.0
189.09027	1.1
193.08685	1.9
201.01971	1.7
205.08517	1.0
209.05997	1.0
213.05586	1.2
215.03583	0.9
217.08691	1.8
233.08092	0.9
241.05110	1.1
253.05150	1.7
261.07773	1.8
267.06329	0.8
282.05206	0.9
297.04266	2.4
307.05972	1.0
311.05536	1.2
312.06622	1.2
323.05695	3.0
344.05307	1.7
350.08005	1.7
351.12561	2.6
367.12006	9.1
377.10400	1.5
380.08890	2.6
395.11429	100.0
395.19522	2.5
396.11758	14.4
419.41873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11211	0.2
59.01260	0.3
63.04845	0.2
63.87336	0.2
70.44286	0.6
70.44644	0.3
79.05416	0.5
80.49487	0.2
91.01759	0.2
93.03365	1.1
99.30881	0.2
102.53291	0.2
107.04942	1.1
109.02869	0.8
112.51341	0.2
121.02873	1.6
123.04426	0.4
123.93018	0.2
131.04938	0.4
133.02879	1.2
135.04401	1.1
139.03922	0.4
148.01619	0.8
149.02393	2.4
155.08583	0.2
157.06485	0.3
159.04463	0.2
163.07690	0.3
171.08128	0.2
173.06017	0.3
175.03979	0.6
175.07593	0.3
177.01855	0.5
183.08115	0.3
185.06029	0.4
187.07600	0.7
197.05893	0.3
199.04012	0.3
199.07611	0.5
201.01874	0.4
201.09180	0.2
203.03568	1.0
209.06107	0.2
211.07709	0.5
213.05502	0.5
213.09172	0.2
215.03477	1.5
215.07057	0.3
217.08708	0.8
224.04790	0.3
225.05580	0.8
226.06242	0.2
227.03519	0.5
227.07155	0.5
228.07623	0.2
229.04987	0.2
231.02946	0.3
238.06331	0.5
239.03610	0.3
239.07086	1.5
240.04214	0.3
241.05066	2.3
243.06709	0.5
249.05702	0.2
251.07220	0.3
253.05023	0.4
255.06657	3.9
256.07413	3.9
257.08124	0.8
263.07147	0.3
265.05115	0.3
266.05716	0.3
267.06653	2.1
268.07385	1.5
269.08102	0.8
272.32880	0.2
275.07162	0.4
275.10718	0.2
277.05673	0.2
277.08688	0.6
285.07733	0.4
286.08527	0.7
287.09402	0.5
289.08698	0.2
291.06628	0.6
291.10422	0.9
293.04486	0.2
293.08185	0.4
303.06918	0.3
303.10355	0.5
305.08218	0.6
306.08755	0.4
307.06244	0.4
307.09799	0.4
309.11411	0.9
315.10370	0.5
317.08350	0.3
319.09760	1.1
320.10397	0.3
321.07690	0.4
321.11392	1.6
322.08298	0.3
331.09857	0.6
331.35672	0.2
333.07693	0.5
333.11578	0.6
335.05637	0.5
335.09305	0.5
337.10886	1.7
339.12445	0.5
347.09442	1.1
349.07034	1.0
349.10907	3.1
350.07907	1.8
350.11508	0.3
351.08588	0.3
351.12485	0.5
359.09286	1.0
361.07208	0.4
363.09064	0.4
364.09344	0.5
365.10382	4.6
366.10706	0.4
367.11887	5.2
368.12268	0.5
375.08789	0.3
377.10352	7.9
378.10815	0.8
393.09866	1.0
395.11417	100.0
396.11780	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	395.1144
Annotation	3-O-Demethylamorphigenin
Peak:m/z	Relative Intensity
52.51492	0.2
59.01262	0.4
67.01775	0.6
68.72862	0.2
70.58614	0.8
71.83778	0.3
79.01770	0.3
79.05425	1.5
81.03355	0.3
85.02838	0.8
89.03871	0.6
91.01787	1.1
101.08610	0.2
103.05437	2.6
105.07008	0.4
107.04942	4.5
108.02100	0.2
109.02864	2.7
119.08559	0.6
121.02863	0.4
123.04390	0.7
124.89878	0.2
131.04951	10.3
131.08580	0.4
132.05302	0.4
133.02879	9.7
133.06526	0.4
134.03262	0.3
143.08617	0.3
144.05774	0.4
145.02919	0.4
145.06525	0.5
147.00806	0.5
147.04468	0.4
147.08066	0.3
148.01578	0.9
148.39618	0.2
149.02367	2.8
149.06006	0.2
151.03935	0.8
153.01883	0.2
155.08620	0.5
157.02888	1.8
157.06531	0.7
159.08090	0.9
161.02373	0.6
163.07582	0.7
171.08047	0.4
172.05280	0.4
173.02397	1.0
173.09663	0.4
175.00720	0.2
175.03952	2.2
175.07614	3.6
177.01880	2.8
181.06558	0.3
185.06071	0.8
187.07623	4.3
189.09091	0.4
193.08659	1.8
197.06087	0.3
199.07639	2.8
201.01926	11.3
201.05597	0.4
202.02245	0.8
203.07092	0.7
205.08743	0.5
213.05560	0.6
215.07077	2.0
217.08693	4.1
219.06700	0.8
225.05566	0.4
229.05034	0.3
231.06604	1.0
233.08133	0.6
237.09239	0.3
241.08699	0.4
243.06627	4.4
244.06949	0.3
249.05644	0.2
261.07724	11.5
262.08124	1.0
265.05219	0.3
265.08728	0.8
277.05200	0.3
277.08270	0.2
279.10422	0.4
280.07199	0.3
283.09958	0.3
291.06689	0.3
291.10345	0.3
293.11826	0.5
303.10361	0.3
305.08258	0.8
305.11795	0.2
306.09015	0.7
307.09875	0.3
309.11185	0.3
321.11310	1.6
333.11389	1.6
337.11023	0.4
349.11386	0.5
351.12549	0.9
365.10532	0.8
367.12006	1.2
377.10345	7.1
378.10736	0.7
393.09995	0.3
395.11423	100.0
396.11777	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37352	0.9
59.01257	3.7
61.98692	0.8
71.59441	1.2
109.02861	2.7
112.30478	0.8
121.02850	1.2
123.04431	1.6
124.01542	1.0
130.47810	0.9
130.91656	0.8
133.02893	3.4
133.06546	2.6
135.04457	1.0
148.01550	1.4
149.02367	2.1
151.03915	0.9
161.02332	1.2
165.09119	2.2
174.03149	1.0
176.01224	0.9
177.01898	1.0
185.06081	1.0
189.09027	1.1
193.08685	1.9
201.01971	1.7
205.08517	1.0
209.05997	1.0
213.05586	1.2
215.03583	0.9
217.08691	1.8
233.08092	0.9
241.05110	1.1
253.05150	1.7
261.07773	1.8
267.06329	0.8
282.05206	0.9
297.04266	2.4
307.05972	1.0
311.05536	1.2
312.06622	1.2
323.05695	3.0
344.05307	1.7
350.08005	1.7
351.12561	2.6
367.12006	9.1
377.10400	1.5
380.08890	2.6
395.11429	100.0
395.19522	2.5
396.11758	14.4
419.41873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1144
Annotation	Parimycin
Peak:m/z	Relative Intensity
57.03345	0.5
59.01262	1.5
60.69494	0.3
60.95139	0.3
61.98706	0.3
63.52747	0.3
71.01274	0.4
76.25548	0.3
80.70306	0.3
93.03347	0.8
109.02860	0.4
117.03381	1.0
119.04945	1.1
121.02914	0.3
123.04448	0.6
123.52426	0.3
132.02113	0.6
133.02878	1.8
135.04422	1.0
135.37444	0.3
161.02367	0.5
175.04073	0.4
187.03960	0.5
197.06035	0.4
199.04163	0.4
202.02702	0.9
203.03484	0.8
214.02702	0.9
215.03482	2.3
225.05580	0.7
226.06194	0.3
227.03513	2.3
227.07198	0.4
235.07710	0.6
237.05482	0.8
238.06389	0.4
239.07109	0.4
245.04625	0.4
249.05525	0.4
251.07166	0.8
253.05084	0.7
254.05875	0.6
255.06589	0.7
263.07297	0.7
265.05023	0.6
267.06680	1.1
268.07388	1.0
275.07114	0.5
279.06671	1.2
280.07468	0.4
281.04602	1.7
282.05267	1.4
291.06897	0.5
291.10110	0.7
292.07309	0.4
293.04745	2.0
293.07788	0.3
294.05261	1.0
295.06268	1.6
296.06851	2.3
297.07330	0.3
303.10095	0.6
307.06198	8.1
307.09470	0.3
308.06830	2.5
319.06161	5.5
319.09549	0.5
320.07025	2.6
321.07556	0.9
321.11072	0.5
322.08475	0.9
323.12836	0.4
328.05960	2.0
331.09698	0.4
335.05624	0.6
335.09299	0.5
336.06467	1.4
337.07150	2.1
337.10922	5.2
338.07910	2.4
338.11456	0.5
340.06070	0.8
347.09427	1.6
348.10141	0.4
349.10846	7.3
350.07935	0.9
350.11478	0.5
351.08786	1.2
352.09409	0.5
358.06717	0.5
359.09247	0.6
360.10181	0.4
362.08035	0.5
365.10403	4.2
366.10852	1.0
367.11954	4.0
368.12469	0.6
377.10382	10.7
378.10770	1.3
380.08871	0.7
393.09882	0.5
395.11432	100.0
396.11804	14.0
396.15875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01612	1.0
65.69510	0.5
69.48388	0.5
69.92947	2.6
71.01263	1.6
72.88860	0.5
85.02870	0.6
113.02374	0.5
142.61365	0.5
151.03963	0.6
176.04900	1.0
187.11287	0.6
213.09274	0.6
301.14703	1.4
316.61420	0.5
393.10214	1.1
393.15091	0.6
393.19330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47956	31.0
69.48369	100.0
80.07667	16.3
116.39284	15.9
137.73546	19.0
147.67429	18.3
179.72742	17.4
258.39011	16.6
318.94604	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	395.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
57.03331	2.1
59.01049	0.4
59.01270	3.9
60.82921	0.4
61.00901	5.6
67.23067	0.5
68.99694	3.2
69.03342	0.7
70.68524	1.3
71.01270	4.2
72.99204	3.8
73.02831	1.7
75.00765	3.7
75.02476	3.2
75.65766	0.4
78.95793	9.9
83.01283	2.6
85.00918	5.6
85.02847	1.6
87.00777	1.5
87.04439	2.4
89.02337	2.9
96.95928	0.8
96.96867	17.4
96.99206	1.3
97.99998	1.2
99.00180	0.6
99.00785	4.8
99.02507	2.0
99.99673	0.5
100.98705	0.5
101.02335	5.0
103.00289	1.3
103.03877	0.7
110.98451	0.5
111.00751	0.9
111.02478	0.5
112.98708	6.3
113.00424	0.6
113.02331	1.0
113.04074	1.1
114.98356	2.3
115.00261	1.0
115.02008	6.1
121.17213	0.4
124.98705	2.2
127.00285	1.2
127.02014	2.4
129.01854	1.5
129.03571	1.4
131.03416	1.9
142.99794	1.5
143.01489	2.0
144.51250	0.4
145.01355	4.2
145.03091	0.7
149.04480	1.3
154.99812	1.2
157.01375	5.3
157.03082	15.3
159.02902	1.4
168.99409	1.1
171.01030	5.8
173.00919	0.8
174.04498	0.4
175.02718	0.9
175.04156	11.4
187.00661	0.7
187.02454	2.7
189.05708	7.2
190.04036	0.6
199.00481	0.4
217.05212	4.5
224.43930	0.4
231.03198	1.3
247.02705	5.1
247.05380	0.5
247.06345	0.6
259.06287	1.4
262.06531	0.4
263.05856	16.0
264.06265	0.6
292.09225	0.4
303.05246	3.0
351.13162	0.5
363.07443	1.8
395.10117	100.0
396.10529	8.4
396.15164	0.4
416.94806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2079
Annotation	Eryzerin C
Peak:m/z	Relative Intensity
57.69902	0.5
59.01261	4.0
65.03841	2.7
67.01775	1.1
69.03311	0.5
70.13741	1.8
75.00769	0.7
91.05431	7.5
93.03348	1.7
95.04944	0.5
97.02880	1.1
98.19740	0.7
106.76801	0.5
107.04912	0.8
108.02081	5.3
109.02861	21.8
109.06497	1.4
110.03230	1.0
121.02870	18.3
123.04404	0.7
133.02882	1.1
134.03688	0.6
135.04445	55.3
135.38954	0.5
136.04759	1.9
147.04453	12.5
147.08098	0.6
148.05165	0.7
149.05974	1.3
159.04417	2.6
160.05261	1.1
161.06017	6.8
163.07622	0.6
173.06035	9.8
175.07527	1.2
185.06050	1.7
186.06773	0.8
187.07587	3.5
188.08449	2.9
189.09186	6.0
199.07617	0.9
201.09201	6.9
202.09918	3.0
203.10782	1.8
213.09128	2.9
215.10785	5.1
216.11507	1.8
225.09317	0.6
227.10715	1.2
228.11502	1.0
229.12361	2.8
241.12364	9.0
242.12906	0.7
245.15501	9.4
246.15965	0.8
255.13899	1.2
256.14670	0.9
257.15509	21.2
258.15927	1.7
268.07657	0.6
269.08301	1.4
269.15546	1.0
271.17087	39.0
272.17459	3.6
277.21799	0.9
281.08270	3.5
283.17096	7.7
284.17517	1.6
295.09912	0.6
295.22769	3.1
309.11224	1.7
324.13815	3.9
393.20773	100.0
394.21127	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	393.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79488	0.2
58.00472	0.2
59.01263	6.0
69.26296	0.4
69.26709	1.2
71.01270	3.2
72.99186	0.2
73.02843	0.1
85.02818	0.5
89.02334	2.2
95.01307	0.2
96.93740	0.1
98.20542	0.3
101.02360	1.3
113.02377	1.1
118.18496	0.1
119.03416	0.6
130.03194	0.3
130.04163	5.6
131.04488	0.2
132.05722	1.7
135.04414	0.1
140.39345	0.1
158.03670	16.5
159.03970	0.8
159.48653	0.2
161.04311	0.1
162.03160	2.6
164.04729	1.0
169.06554	0.8
170.07262	0.2
172.05103	0.2
183.04422	0.2
185.09682	3.3
186.10081	0.2
187.09572	0.2
187.11259	3.3
188.11559	0.3
190.02681	4.0
191.02982	0.2
197.06049	0.6
198.06815	1.8
199.07162	0.2
201.12877	0.3
204.04303	0.2
213.09196	100.0
214.09537	6.9
227.10767	0.7
229.12395	1.1
231.10278	6.8
232.10651	0.4
241.12283	0.2
255.10303	4.3
256.10577	0.4
273.11313	1.2
303.12445	0.4
333.13498	1.8
334.13931	0.3
393.15616	7.1
394.11435	0.1
394.15875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1329
Annotation	Durallone
Peak:m/z	Relative Intensity
57.03336	11.8
58.75025	6.5
59.01270	100.0
60.01606	7.2
61.67199	6.1
71.01270	23.1
71.51638	11.8
73.02834	19.6
85.02851	7.1
89.02345	18.9
101.02439	7.9
134.03568	8.0
194.24132	6.7
233.78038	7.1
275.09286	17.3
384.18274	7.6
393.13318	69.4
393.17621	16.0
393.28976	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88409	0.2
57.03318	0.3
58.00497	0.3
59.01263	6.5
61.98700	0.3
70.28651	0.2
71.01270	2.9
71.64351	0.2
72.85839	0.2
72.86261	0.2
72.99185	0.6
73.02815	0.2
73.29967	0.2
76.34260	0.2
83.01307	0.3
85.02827	0.9
86.46909	0.2
87.00787	0.2
89.01833	0.3
89.02338	3.0
90.51571	0.2
96.95869	0.3
101.02348	1.3
113.02340	1.1
119.03407	0.9
130.04164	4.9
132.05721	1.6
158.03677	14.6
159.03989	0.8
162.03181	3.0
164.04729	1.3
169.06531	0.7
172.05205	0.3
176.04684	0.5
178.90677	0.2
185.09691	3.4
186.10013	0.3
187.11235	3.8
188.11566	0.3
190.02675	5.1
191.03000	0.4
197.06055	0.6
198.06871	2.0
199.07196	0.2
201.12746	0.4
204.04297	0.3
213.09200	100.0
214.09532	7.8
227.10716	0.8
229.12408	1.1
229.24605	0.4
231.10271	7.4
232.10542	0.7
245.11772	0.5
255.10292	4.8
256.10550	0.5
273.11383	1.8
301.14581	0.3
303.12399	1.0
309.84967	0.2
333.13559	3.2
334.13672	0.3
338.31097	0.2
355.01694	0.2
393.10434	0.3
393.15616	8.8
394.10803	0.2
394.15689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	29.8
59.01264	25.0
62.86530	0.5
63.06106	0.5
70.99355	0.8
70.99685	1.0
71.01272	8.5
72.99183	0.7
73.02827	3.9
75.00764	0.9
81.03351	1.0
83.01286	2.6
85.02846	3.1
87.00771	100.0
88.01107	1.3
89.02326	1.1
95.01264	1.0
97.02876	0.7
99.00803	1.3
99.04420	25.9
101.02341	11.5
111.00779	1.5
113.02346	4.1
122.72755	0.5
123.04395	1.7
125.02362	14.1
129.01894	2.8
143.03474	2.3
159.03017	0.6
161.04506	18.2
161.05858	1.0
203.05650	3.7
216.44348	0.5
225.07713	0.7
233.06821	0.7
243.08783	1.2
247.12004	1.1
249.06184	0.8
263.07663	0.6
305.08835	16.3
306.09363	0.9
393.13602	0.7
393.17889	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	392.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.6
61.98716	100.0
63.46155	0.2
67.06642	0.2
69.55045	1.1
69.55482	0.7
87.00813	0.3
96.36394	0.2
97.84532	0.2
123.04413	0.3
129.57857	0.2
209.34496	0.2
233.15608	0.3
251.84779	0.2
258.61575	0.2
264.64740	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	3.6
59.01263	27.2
61.98697	0.8
63.26382	0.6
69.03335	1.1
70.73282	2.2
71.01273	1.2
71.04901	2.9
74.14922	0.6
81.03384	0.7
83.04909	1.9
85.02868	0.7
85.06493	3.1
87.04407	1.7
93.03339	1.0
95.04927	2.7
97.02849	2.5
97.06488	1.1
99.92471	1.0
107.04896	0.7
109.06468	1.9
111.04425	1.4
111.08087	0.8
127.07581	1.0
149.09631	0.6
155.55537	0.7
157.53587	0.6
159.11641	0.8
167.10751	0.9
171.10170	0.9
175.11176	1.7
177.12787	6.1
179.14343	1.9
189.09047	0.8
193.08458	0.9
195.13869	11.2
196.14336	0.8
201.89911	0.8
205.12341	2.3
217.12192	1.1
217.15970	0.8
221.15480	7.1
223.13399	4.3
239.16605	2.0
243.10020	1.3
245.11612	100.0
246.11957	7.5
247.13156	1.0
263.11526	3.4
263.14203	0.6
279.01785	0.7
291.19714	17.0
292.20102	1.7
305.12531	10.7
306.12695	1.9
307.14117	2.2
309.20776	57.1
310.21173	5.6
331.18958	10.8
332.19247	1.1
353.10495	4.6
375.17929	2.3
391.11969	1.6
391.20380	6.3
392.20749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01603	0.9
61.98713	0.3
65.00221	0.3
65.75181	0.2
68.11722	0.2
71.01269	1.8
72.81615	0.2
83.01249	0.2
85.02791	0.4
87.00771	0.4
89.02341	0.6
93.03351	0.2
93.94749	0.3
98.19780	0.6
101.02355	0.6
107.01336	0.4
113.02347	0.6
119.04932	2.4
130.04370	0.3
151.00330	1.3
157.06537	0.3
167.04982	3.1
169.06581	0.4
181.06583	0.4
183.08110	2.3
185.09657	1.6
190.02740	0.3
193.06558	0.3
195.04483	7.1
196.05249	1.8
209.06079	1.0
211.07637	33.8
212.07950	2.3
229.08667	2.2
239.23697	0.3
240.59442	0.3
253.08656	0.7
259.12961	0.3
271.06061	0.3
271.10010	0.3
331.11874	0.5
331.17764	0.3
332.08282	0.6
384.60175	0.3
391.08987	0.5
391.14047	6.1
392.10794	2.4
399.72882	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69459	0.5
53.35208	0.6
54.59291	0.6
57.03330	1.0
59.01264	16.5
61.98714	0.9
69.03339	2.1
71.01266	1.0
72.99199	1.0
80.91573	1.5
83.04908	1.3
95.04939	1.5
97.02856	4.6
99.00813	0.6
99.92466	1.5
111.08057	1.1
115.91961	1.2
121.10151	9.4
123.08040	1.4
126.98877	0.6
135.11678	2.7
137.09645	1.7
141.09148	3.2
149.13271	1.1
155.10675	0.7
157.84895	0.6
163.11163	0.7
171.10202	2.4
187.09723	11.1
189.16463	0.9
193.08514	3.0
193.12274	0.7
199.08253	1.1
207.10077	1.1
209.15501	0.7
211.13319	1.0
217.00323	0.9
227.07755	1.6
229.10249	0.7
239.12865	0.7
245.19070	2.8
246.19339	0.7
252.73187	0.7
263.20212	2.3
291.19733	23.9
292.19934	2.7
294.10892	3.7
309.20770	100.0
310.21143	9.0
313.17874	1.4
331.18973	6.6
332.19052	0.7
333.04376	0.7
349.18762	2.9
373.18762	0.6
375.17865	1.0
376.09668	1.1
391.12646	2.8
391.20999	13.6
392.12482	1.1
392.21036	1.8
407.46497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34115	0.2
56.59299	0.2
58.47782	0.2
59.01264	100.0
60.01612	1.0
70.75809	0.6
71.01275	0.4
71.68273	0.2
75.00765	0.3
83.01284	0.3
83.04899	1.4
101.02370	0.5
113.02379	0.2
115.47285	0.2
129.64043	0.2
134.03703	0.5
135.04466	0.7
147.04472	0.3
149.02390	0.4
150.06465	0.2
161.06085	0.2
164.07137	0.3
179.03618	0.3
188.07271	0.3
189.09196	3.6
190.09653	0.4
217.08731	0.3
252.99655	0.2
275.16605	2.5
276.16870	0.2
303.16287	0.8
311.27112	0.2
331.24997	0.3
347.15100	1.9
391.14200	0.6
391.27081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01585	0.9
71.15898	1.6
76.00515	0.8
82.95269	0.8
95.33210	0.8
95.44012	0.8
140.07863	0.8
153.40906	0.8
177.71677	0.8
210.06738	0.9
242.00259	0.8
312.18909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30758	0.4
59.01271	0.6
61.98719	100.0
70.82745	0.8
70.83083	0.7
76.30466	0.3
117.15460	0.4
134.06860	0.4
246.02660	0.4
327.21988	0.6
348.14563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30896	0.4
59.01258	5.6
61.98716	100.0
71.01286	0.4
80.96416	0.6
90.50526	0.4
113.02418	0.4
118.48567	0.4
123.04462	0.7
194.08983	0.4
211.88914	0.5
229.85297	0.7
327.22079	1.7
362.88538	0.5
391.08862	0.5
391.14050	0.7
407.71368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01604	1.1
64.63972	0.3
69.02528	0.3
69.52103	2.2
71.01272	4.5
71.62571	0.4
72.99196	0.3
73.02825	0.5
83.01299	0.4
83.04965	0.3
85.02855	1.2
87.00794	0.6
88.06087	0.3
89.02341	5.6
91.03024	0.3
98.19865	0.4
99.00822	0.8
101.02345	3.2
108.02099	0.3
109.02883	0.6
113.02374	2.1
119.03414	3.2
131.03473	0.4
134.04698	0.4
137.02383	0.8
143.03500	0.8
149.04539	0.4
157.12360	0.3
160.80563	0.3
161.04558	1.0
175.02684	0.8
179.05609	1.8
233.31073	0.3
243.67693	0.3
281.06778	0.6
319.21368	0.4
331.17767	1.2
391.27261	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	388.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14792	0.3
57.03333	0.6
59.01261	3.5
61.98716	100.0
67.30319	0.3
71.01266	0.7
87.04431	0.4
115.01887	0.3
121.02856	0.4
123.70489	0.4
181.47282	0.4
190.94130	0.3
295.61203	0.4
308.05350	0.5
325.20236	11.9
326.20663	1.2
328.15634	0.4
342.84555	0.4
344.12375	0.4
361.00961	0.4
389.29480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1827
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03331	0.9
57.98550	0.2
58.00476	0.4
59.01264	7.4
62.56905	0.2
67.91480	0.3
69.03349	0.3
71.01266	4.0
73.02850	0.6
78.58477	0.3
78.59656	0.3
79.63441	0.2
80.15555	0.2
85.02817	1.6
87.00838	0.2
89.02333	3.1
91.12326	0.3
95.01286	0.4
97.06465	0.5
101.02350	2.0
109.02849	0.3
111.08064	1.5
113.02349	3.4
119.03396	1.0
143.03468	0.2
151.03938	0.5
161.02350	0.5
161.04478	0.8
165.12799	23.7
166.13110	1.5
167.14397	0.5
179.05577	0.5
179.14383	0.3
181.43541	0.3
183.13867	75.4
184.14211	5.0
191.45067	0.2
195.13866	0.4
197.15462	1.8
207.13878	2.0
209.11783	2.5
210.12140	0.3
212.51421	0.2
225.14989	1.5
227.12888	100.0
228.13235	6.9
251.12877	2.9
269.13919	1.8
293.13950	0.5
309.04056	0.4
329.15933	0.4
347.24658	0.3
353.10336	0.6
389.13266	0.4
389.18201	2.7
389.25250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03724	10.0
53.04202	10.9
58.69444	9.7
59.01270	100.0
69.63239	82.7
101.02385	11.0
123.98943	10.6
126.74600	11.6
184.93553	12.3
217.45866	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	389.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28205	0.6
59.01265	100.0
59.40178	0.5
60.01608	1.1
61.51654	0.5
64.39624	0.5
69.25317	3.5
69.25747	1.9
71.20842	0.4
77.94967	0.6
82.32420	0.5
115.77494	0.5
116.56639	0.6
183.08379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38731	13.7
59.01267	100.0
67.51727	16.0
71.01266	28.3
71.46510	19.0
71.46837	18.0
85.02826	23.1
89.02332	25.4
100.40732	14.9
101.02327	20.8
113.02351	24.8
135.43924	17.7
141.01614	29.4
171.83852	17.1
189.21869	21.2
196.78288	17.1
252.57784	15.6
341.11005	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58659	1.8
51.73375	1.8
56.55842	1.6
59.01263	100.0
70.67795	4.8
71.01242	2.1
78.05998	1.9
89.28621	2.1
121.02073	1.6
165.51871	1.9
253.21741	6.4
408.19125	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42091	0.4
59.01264	4.4
61.98717	100.0
62.53682	0.4
71.01270	1.2
71.56397	0.8
73.02824	0.6
78.95797	2.9
85.02877	0.6
89.02338	0.7
99.00795	1.0
100.77271	0.4
101.02331	0.9
151.00224	0.5
225.65083	0.4
307.19577	0.5
388.28146	0.5
389.11932	0.8
389.21924	1.7
389.29434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.1
57.03337	1.6
58.00482	5.3
59.01265	100.0
60.01617	0.9
61.98709	1.0
64.15882	0.8
71.01270	81.3
71.53828	1.3
72.01581	1.2
72.99193	6.9
73.02838	4.1
83.01289	3.6
83.04909	1.0
84.02051	0.8
85.02842	13.8
87.00761	4.8
87.04417	1.0
89.02336	93.1
90.02691	0.8
95.01283	5.4
99.00743	2.0
101.02346	39.3
102.02724	0.9
113.02357	28.6
119.03417	36.1
121.74084	0.7
123.08091	1.4
125.02386	1.5
127.00362	0.8
128.70486	0.7
131.03424	4.2
137.02242	0.8
143.03439	7.2
149.04459	3.7
157.18021	0.8
159.02960	1.1
161.04501	11.8
163.11247	1.5
177.40506	0.9
179.03354	1.1
179.03741	1.1
179.05562	23.4
180.05807	1.4
181.12392	1.2
181.34976	0.9
183.02844	0.9
184.53029	0.8
187.07594	5.1
189.12848	1.1
207.13855	1.4
216.33560	0.8
218.56004	0.8
225.15012	2.1
231.10194	2.7
249.14977	1.1
251.39429	0.9
267.16016	1.2
291.15939	1.2
297.03870	0.8
341.11044	0.9
343.17932	1.4
369.19269	1.2
387.11493	1.4
387.15833	1.1
387.20120	7.8
387.24280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83192	0.5
55.01772	3.2
57.03344	2.8
58.00477	4.2
59.01266	93.4
60.01601	0.9
61.23856	0.4
61.57335	0.4
63.23651	0.4
64.15766	0.4
71.01272	88.5
72.01606	1.5
72.99200	7.3
73.02840	11.3
75.00762	0.9
83.01279	8.5
83.93446	0.5
85.02844	23.3
86.03199	0.5
87.00763	5.6
89.02340	81.2
90.02676	1.6
95.01295	6.0
97.02867	1.4
99.00780	5.0
101.02349	62.5
102.02686	1.4
111.00758	1.3
113.02360	38.0
114.02683	1.0
119.03423	36.5
120.03786	0.9
124.67325	0.5
125.02376	2.0
129.01831	1.1
131.03433	3.7
136.05223	1.1
137.06030	0.5
138.06789	1.1
141.01831	0.5
143.03439	6.3
149.04533	2.8
150.11688	0.4
151.07562	1.9
152.08380	10.8
153.09189	3.5
154.09525	0.8
155.09770	0.9
159.02924	4.0
161.04514	19.2
163.11292	0.8
177.53291	0.5
179.04076	0.9
179.05574	11.2
189.12794	1.2
190.02734	0.6
199.46664	0.5
205.03522	0.9
207.05551	0.6
207.13858	1.3
210.12550	0.5
225.04039	0.6
225.14969	7.5
226.15216	0.6
229.26511	0.6
229.28584	0.5
369.04684	0.9
372.17990	1.4
377.51361	0.5
387.06027	1.4
387.20352	100.0
388.20676	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	387.1667
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01771	0.7
57.03326	0.8
58.00492	1.3
59.01265	79.6
60.01608	0.8
69.53307	2.8
71.01268	27.8
72.01624	0.7
72.99192	3.4
73.02842	1.6
75.00763	0.7
81.69556	0.3
83.01284	1.8
85.02842	6.1
87.00774	1.6
89.02337	30.5
90.02679	0.6
95.01315	1.9
99.00775	0.7
101.02344	15.8
101.34907	0.3
102.02653	0.4
113.02356	11.8
116.07062	0.5
119.03416	12.1
131.03435	1.3
137.02461	0.3
143.03432	2.0
149.04506	0.5
161.04485	2.6
163.11224	5.0
168.89154	0.4
179.05576	4.2
180.00813	0.4
181.05049	1.0
207.10257	12.5
208.10634	0.7
225.11424	0.4
280.89581	0.4
309.44556	0.3
343.19867	0.8
387.16660	100.0
388.17010	12.2
388.22000	0.7
389.66824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83742	6.8
52.60258	6.6
56.45887	6.7
59.01263	57.6
61.98722	21.7
63.85191	6.3
69.24528	51.2
69.24954	27.5
71.01279	10.5
73.02844	6.3
83.63041	5.9
87.57745	8.4
89.02335	16.1
91.05511	7.5
98.19741	14.1
101.02345	9.4
109.02856	18.4
115.51929	6.8
121.02861	32.1
123.04430	15.7
133.02881	100.0
134.03671	25.4
135.04459	66.3
136.01598	12.2
137.06009	9.2
141.01602	9.5
147.04408	8.1
150.06866	8.7
151.03946	10.2
158.19608	6.8
159.96188	7.2
163.03966	19.0
182.05815	8.0
269.08197	19.7
283.09833	25.6
285.11383	15.6
341.11148	13.1
350.22595	7.0
351.08752	89.8
352.09305	8.9
382.38895	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	387.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	0.5
58.00486	1.4
59.01266	81.6
60.01600	0.7
69.19193	4.3
71.01271	23.2
72.99196	2.1
73.02836	1.5
75.00771	0.4
83.01273	1.5
85.02850	4.4
87.00786	1.1
89.02340	20.0
89.49881	0.5
89.96947	0.4
95.01296	1.7
98.20683	0.6
99.00774	0.9
101.02345	14.2
102.02666	0.4
107.37537	0.4
113.02354	8.2
115.52734	0.3
119.03425	6.9
131.03387	0.4
143.03447	0.6
149.04515	0.5
152.87154	0.3
161.04504	1.6
163.11238	5.6
166.64413	0.4
167.27135	0.3
179.05605	1.5
196.67186	0.3
199.94487	0.4
207.10266	12.4
208.10747	0.7
210.19905	0.4
219.48550	0.4
226.96236	0.4
387.16681	100.0
388.17007	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	387.1306
Annotation	Syringoxide
Peak:m/z	Relative Intensity
50.77296	1.8
59.01263	17.9
61.98728	1.7
69.38774	13.2
71.01248	8.0
75.80577	1.4
85.02835	3.4
85.06477	7.7
87.00787	2.6
88.42285	1.5
89.02353	4.4
95.01250	1.5
99.00804	1.8
101.02357	4.2
104.89603	1.7
113.02334	2.4
113.05968	1.7
119.03432	2.8
121.02882	3.5
123.00778	3.3
123.04510	2.0
125.02392	2.0
125.82825	2.0
129.05484	2.1
133.02943	1.9
137.02379	3.6
138.03165	2.5
139.03961	2.6
149.02414	4.8
151.00298	2.3
151.03920	3.0
152.01073	3.3
153.01883	4.1
154.02744	2.0
161.04439	1.6
163.03934	2.0
163.11220	3.6
165.01859	26.1
166.02669	13.8
167.03461	24.1
168.03679	1.9
176.01077	1.6
177.01900	17.3
177.81750	1.6
179.03485	2.9
180.04234	51.4
181.04953	5.7
189.07726	3.1
192.04254	9.1
193.01389	12.9
193.05016	2.0
194.02185	56.7
195.02974	37.1
195.06607	76.4
196.03497	2.6
196.06874	2.6
207.06595	21.2
209.04533	60.5
210.01653	1.8
210.05226	16.6
223.06003	2.2
224.06770	2.4
225.07697	100.0
226.08005	5.9
233.24687	1.7
247.11053	2.4
269.10123	1.8
341.11050	1.9
343.19662	2.5
357.08331	28.7
358.08740	3.5
372.10657	41.3
373.11191	2.9
387.12378	7.6
387.17239	20.6
387.22095	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	387.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
57.03318	0.4
58.00489	0.4
59.01266	6.8
61.98733	0.2
65.03848	0.4
66.34813	0.2
66.59917	0.2
67.01781	0.2
67.47453	0.2
68.99705	0.3
69.03339	0.5
71.01270	7.2
71.51553	0.3
72.99205	1.0
73.02830	0.8
75.00774	1.8
76.04031	0.2
81.03352	0.3
82.41367	0.2
83.01291	0.3
83.04953	0.2
85.02841	3.1
87.00772	0.8
89.01768	0.2
89.02335	5.4
93.03360	48.6
94.03670	1.2
95.01299	0.8
97.06464	0.2
99.00801	1.4
101.02347	2.8
103.00277	0.3
109.02851	0.3
111.00804	0.3
113.02355	3.7
117.01862	0.4
119.03419	1.9
120.09295	0.2
121.02871	0.3
123.00792	0.5
123.04411	0.2
125.02390	0.4
129.01855	0.3
131.03476	0.3
137.02377	100.0
138.02721	3.8
140.73520	0.2
143.03464	0.4
149.79370	0.2
151.00264	0.2
152.01167	0.2
153.01913	0.2
161.04466	1.0
167.03439	0.5
179.05602	0.9
189.12816	1.3
192.78891	0.2
207.13846	1.3
211.06000	0.3
225.15004	0.5
231.05185	0.3
240.08897	0.2
249.06194	18.7
250.06474	1.2
267.07401	0.2
341.10800	0.2
387.09088	5.4
387.14066	0.3
387.20108	1.2
388.09763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16288	0.1
55.45696	0.1
59.01224	0.5
69.37176	1.5
69.46568	0.2
93.06145	0.1
102.92653	0.1
108.02008	0.2
109.02822	0.2
117.41270	0.1
119.38567	0.2
120.52666	0.2
121.02827	0.2
131.04892	0.3
147.04448	0.2
148.00508	0.2
148.01598	3.1
149.02278	0.5
150.03096	0.2
151.03929	0.3
159.04311	0.2
163.03850	0.4
171.04449	0.1
175.03900	0.7
177.05502	0.2
181.04938	0.3
187.03880	0.4
191.03444	0.7
193.04936	0.2
195.06610	0.2
199.03842	0.2
202.02626	0.3
203.03485	0.8
204.04141	0.4
205.04982	0.2
210.87572	0.1
214.02582	0.2
215.03485	0.9
216.04155	0.4
217.04890	0.2
223.07544	0.3
224.08194	0.3
225.05467	0.4
226.48453	0.2
227.03439	0.3
228.04504	0.2
233.04402	0.4
235.07545	0.2
237.05489	0.5
238.06482	0.2
239.07097	0.7
240.07857	0.5
241.04988	0.4
251.07161	0.9
253.05014	0.7
255.06667	0.8
256.07227	0.3
263.07120	0.3
265.05063	0.4
267.06674	1.4
268.07324	0.8
269.04633	0.5
277.05035	0.2
279.06711	1.5
280.07373	1.0
281.04675	0.8
281.07663	0.2
282.05197	0.2
283.06119	1.4
284.06781	0.6
291.06573	0.4
292.07428	0.3
293.04565	0.5
294.05292	0.2
295.06165	2.3
296.06854	0.7
297.04034	0.5
297.07498	0.3
306.05237	0.3
307.06180	1.1
308.06735	0.4
309.04047	0.6
310.04837	0.3
311.05661	2.4
312.06458	15.3
313.06934	1.6
321.03876	0.2
323.05679	3.5
324.06451	17.6
325.06934	2.9
326.07904	0.4
327.08719	0.4
335.05637	1.5
336.06470	7.8
337.07037	1.5
339.05011	0.1
339.08795	2.4
341.06671	1.7
341.10294	0.3
342.07492	11.9
343.07742	1.2
351.08853	1.5
353.06750	0.4
354.07507	19.1
355.07919	2.6
356.05142	0.2
357.09814	2.8
358.10199	0.2
367.08350	0.2
369.09845	9.4
370.10590	1.0
372.08557	25.8
373.08826	3.1
385.09436	1.0
386.09772	0.2
387.10922	100.0
388.11295	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	385.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01001	2.5
59.01270	39.5
60.01611	8.2
61.01684	9.4
61.98720	100.0
71.01266	2.4
71.58126	2.1
84.47666	1.2
85.50129	1.2
89.02358	1.9
97.04109	1.4
98.20556	1.5
98.91395	1.5
142.48566	1.5
152.80518	1.3
295.25256	1.6
386.13629	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	387.0729
Annotation	3,5-Dihydroxy-6,7,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.28687	0.7
55.01799	1.4
57.03371	0.9
59.01328	7.7
61.98771	1.2
67.01822	0.9
67.72771	0.6
71.01272	4.0
72.99278	2.5
73.02908	2.8
75.00848	2.1
79.01788	4.9
83.04959	0.7
85.02853	3.9
87.00842	1.4
88.98776	1.4
89.02423	2.4
91.01822	0.9
97.06555	1.2
101.02439	2.3
108.02181	2.3
109.02861	5.1
111.04446	4.1
113.02402	1.7
114.79286	0.7
115.00356	0.8
119.03477	1.2
119.04993	2.0
121.02977	2.4
121.06606	0.9
123.04433	6.9
125.02415	1.6
133.02887	7.3
135.02908	3.7
135.04436	5.0
137.02472	1.1
137.06042	0.8
141.01923	1.1
141.05492	4.8
147.00891	1.3
147.04535	2.7
148.01678	1.2
149.02371	6.5
149.06012	1.2
151.00397	1.0
151.04002	2.2
152.01175	2.6
153.01813	0.9
155.91922	0.7
157.06609	0.7
159.04480	1.0
161.02423	1.7
161.04588	1.2
161.06198	0.8
163.04071	2.5
165.05602	2.6
171.04567	1.0
175.03999	4.1
177.01959	2.3
179.03568	0.7
181.12315	3.7
185.06180	1.9
189.05611	2.1
191.03479	10.4
191.05093	0.7
192.04025	0.9
199.07649	1.6
201.01904	5.5
209.04610	1.4
212.04893	1.3
213.05556	11.5
213.09099	1.2
214.06047	1.4
225.05699	1.2
225.09354	1.9
225.11302	7.1
227.07231	1.8
229.08501	0.8
231.06660	6.4
239.07175	1.6
241.08768	1.8
243.06708	1.8
251.07173	1.5
253.08824	1.0
254.05882	3.5
255.06447	1.3
257.04779	1.2
257.08264	1.6
269.08112	5.3
269.14029	1.0
281.08270	4.6
297.07758	2.7
299.09259	2.5
311.05835	1.3
313.07318	6.0
315.08481	1.0
325.07233	19.6
326.07629	2.0
341.06805	1.5
343.08286	100.0
344.08591	9.4
345.22855	1.0
369.06192	2.0
387.07227	64.6
387.14880	1.9
387.20197	2.8
387.23865	3.6
387.27780	3.0
388.07404	7.2
388.11255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.9
58.00470	1.2
59.01263	10.4
59.61159	0.4
61.98714	2.6
69.22892	5.5
71.01269	2.6
72.99186	0.8
84.24870	0.4
85.00561	0.5
85.02858	2.7
87.04404	13.9
89.02345	6.2
89.58601	0.5
91.03902	24.1
92.45571	0.5
98.19829	0.9
101.02380	0.6
109.02863	0.9
114.22404	0.5
121.02882	0.6
133.02901	0.5
135.04428	1.1
161.02371	1.0
165.01865	0.9
175.00201	0.5
176.12303	0.5
183.69183	0.5
187.07607	0.9
219.10231	1.1
223.17035	43.4
224.17371	3.1
235.17056	4.7
253.18155	0.8
275.20187	5.3
293.21286	10.5
294.21799	0.7
295.09653	0.5
309.20935	0.7
311.22336	100.0
312.22668	11.4
312.87711	0.7
353.14420	0.8
370.14600	0.9
385.12924	1.5
385.26022	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
52.42057	0.5
52.92178	0.4
56.19244	0.5
59.01264	100.0
60.01591	1.3
61.98702	0.5
69.21162	2.7
69.21590	2.6
71.01276	1.4
72.98794	0.7
72.99200	13.4
73.02834	1.1
73.30560	0.4
75.00760	0.9
80.85406	0.4
87.00777	0.8
90.11166	0.5
93.03374	0.6
97.06493	3.4
99.00784	1.1
101.02350	0.9
103.00295	0.8
107.04940	1.6
108.02088	2.9
109.02873	2.1
112.05245	1.4
121.02868	14.3
122.03661	2.0
123.04411	1.9
124.27497	0.5
127.59166	0.4
135.04427	1.8
137.02336	0.5
147.00751	0.4
149.02380	1.1
150.03168	0.5
151.03995	1.3
161.02446	1.5
163.03954	4.1
164.04761	2.5
179.03465	15.3
180.04227	3.9
181.05064	1.1
189.01962	1.4
207.02997	1.6
208.03775	2.1
231.78271	0.5
277.10822	2.3
305.10416	1.1
309.09909	1.9
323.11484	1.1
325.75656	0.5
367.10400	2.1
385.11526	34.4
386.11948	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.1
57.03337	3.7
57.51933	0.3
58.00485	3.2
58.87811	0.2
59.01263	55.1
60.01580	0.4
62.02187	0.2
67.01761	0.3
69.03345	0.7
69.43371	2.0
71.01267	67.5
72.01605	1.0
72.99196	3.9
73.02832	12.5
75.00768	0.8
81.03360	0.4
83.01268	4.9
83.04918	1.2
84.02091	0.4
85.02842	21.2
86.03165	0.4
87.00777	2.8
89.02336	33.3
90.02658	0.5
95.01288	4.7
95.04929	1.9
97.02849	5.9
97.03491	0.3
97.06510	0.3
99.00774	5.1
101.02345	31.5
102.02677	0.8
105.07001	1.3
107.04942	0.9
108.05725	2.4
109.02861	1.1
109.06528	1.8
111.00784	0.4
111.04427	1.0
111.08072	0.6
113.02354	25.1
113.05987	3.5
114.02711	0.8
115.03933	0.2
119.03419	11.0
121.02831	0.2
121.06515	0.7
122.03648	1.8
123.07194	0.3
123.08075	4.4
123.08927	0.4
124.05231	0.3
125.02362	1.5
125.06001	2.6
129.01852	0.9
131.03398	1.2
135.08083	0.9
136.05237	3.2
137.06013	1.6
138.06795	23.2
139.07599	11.2
140.07919	0.7
141.01884	0.2
141.81264	0.2
143.03432	3.0
147.08090	0.5
149.04453	0.4
149.06020	1.1
151.04030	0.3
151.07588	24.0
152.04764	2.7
152.08368	41.1
153.09149	100.0
154.09491	4.2
159.02919	3.8
160.84705	0.3
161.04495	18.7
161.09656	0.7
162.04834	0.5
163.11230	4.0
164.04713	0.4
165.09151	2.1
167.07086	1.9
170.05853	0.3
171.08034	0.3
179.05580	2.8
179.07013	0.4
179.10675	0.3
180.06032	0.3
187.11264	1.0
189.09216	1.4
190.02711	0.7
190.09935	2.2
205.03407	0.5
205.05067	0.6
205.12317	32.4
206.12668	2.1
219.10123	0.3
223.06038	0.5
223.13390	18.1
224.13676	1.4
229.12427	0.4
277.10913	0.3
330.50696	0.3
385.11368	1.1
385.18768	8.2
386.18976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06248	0.3
57.03353	0.5
59.01265	100.0
60.01595	1.0
61.98737	0.4
63.65349	0.3
65.14479	0.2
69.90213	0.8
69.90623	0.8
70.64497	0.2
71.01266	5.3
72.99201	10.6
73.02846	1.0
75.00748	1.3
83.01288	0.3
85.02855	2.1
87.00786	0.7
89.02338	3.5
90.84029	0.3
93.03364	0.9
97.06490	2.7
98.19846	0.4
99.00814	1.1
101.02364	2.5
102.02377	0.3
103.00298	1.1
107.04962	1.2
108.02077	1.9
109.02879	2.0
112.05235	0.9
113.02358	2.2
119.03430	1.5
119.04891	0.3
121.02873	10.6
122.03706	1.6
123.04431	1.3
125.05953	0.3
134.03700	0.6
135.04459	3.4
137.02448	0.5
138.06766	0.6
143.03455	0.4
145.02945	0.3
147.00851	0.4
147.04497	0.4
149.02397	0.4
151.03969	0.8
151.07629	0.5
152.08406	0.9
153.09145	2.1
161.02406	1.0
161.04520	1.2
163.03963	3.1
163.11172	0.3
164.04735	1.0
179.03465	10.8
179.33159	0.3
180.04167	2.3
181.04974	0.5
187.11330	1.2
201.09348	0.3
205.12337	1.9
206.02126	0.3
207.02992	1.3
208.03790	1.3
218.15138	0.3
219.10289	0.5
223.06168	0.4
223.13408	0.5
233.11839	0.6
249.06277	1.0
249.15146	0.3
255.37918	0.3
259.13428	0.3
271.06137	0.4
277.10910	2.1
277.30875	0.3
301.10980	0.5
305.10458	0.9
309.04279	0.5
309.09900	1.4
313.47491	0.3
323.11496	0.8
367.10641	1.4
385.11566	25.1
385.19199	0.7
386.11874	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1301
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
50.90963	0.5
52.47965	0.4
56.29705	0.4
57.03091	0.5
57.03337	7.5
59.01261	3.5
61.53424	0.5
61.98715	1.0
64.12412	0.4
67.01758	0.5
70.02084	1.1
70.02493	1.6
71.01264	0.9
75.00742	0.5
77.09052	0.4
81.03333	1.3
83.01289	2.2
83.04896	0.8
89.02353	0.5
90.36606	0.5
91.03857	0.5
98.19788	0.5
99.73906	0.4
101.02338	0.7
106.96316	0.4
107.04896	0.6
107.08565	2.4
109.06496	7.2
124.01591	14.9
125.02355	2.1
125.09640	8.7
137.02373	2.4
138.03133	1.4
142.35748	0.5
148.01570	3.3
149.02319	1.5
149.09657	13.1
150.03166	4.2
150.10011	0.6
151.07574	6.9
152.07961	0.6
171.10268	0.8
175.00314	0.6
175.04001	0.7
176.01108	21.1
177.01848	4.3
177.05777	0.4
191.03473	24.3
192.03999	1.9
193.08675	100.0
194.09018	5.9
196.07741	0.4
211.13391	0.5
217.05045	0.5
219.03075	0.5
233.08218	0.6
245.08188	1.1
267.94330	0.4
293.21210	0.7
311.22305	2.8
367.11230	3.3
385.13004	44.4
386.13333	5.2
400.39020	0.5
409.93417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.115
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
51.34394	0.4
53.32670	0.4
55.01753	0.4
58.00494	0.4
59.01263	11.5
61.98705	0.5
69.44643	0.5
71.00645	1.3
71.00863	0.4
71.01262	6.5
72.99204	1.6
74.01792	0.4
76.62206	0.4
80.66806	0.4
83.01251	0.5
85.02846	1.6
86.84248	0.4
89.02331	4.9
90.62700	0.4
91.01770	1.0
93.03366	0.6
93.17947	0.4
95.01271	0.5
101.02344	2.7
104.80610	0.4
113.02370	3.1
119.01287	4.9
119.03384	0.9
121.02890	2.6
123.81677	0.4
134.03784	0.4
135.04398	0.9
136.05235	0.6
147.00822	3.1
149.02376	15.0
150.02837	0.6
151.07529	0.6
152.01079	1.8
161.02382	0.6
162.06763	0.7
163.03911	2.2
163.07620	0.8
164.04745	11.7
165.01888	1.5
165.05154	0.7
167.03250	0.4
175.00320	29.4
176.00667	1.2
179.05661	0.7
179.07063	3.9
180.07863	0.5
181.08675	1.6
189.02010	1.1
190.02686	73.9
191.03053	5.2
193.01422	4.8
194.01695	0.5
195.35338	0.4
205.05043	100.0
206.05441	6.2
208.03758	9.4
208.05756	0.5
217.01300	0.7
219.10135	0.9
221.08328	1.9
223.06120	36.2
224.06415	2.6
232.03838	1.6
233.04124	0.4
237.07727	0.6
247.06160	5.6
248.06473	0.7
265.07126	3.3
277.10730	0.5
295.08292	0.7
301.35745	0.4
325.09387	1.6
326.09647	0.4
385.11520	9.2
386.11755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94737	1.0
59.01266	41.5
60.01322	1.2
60.01590	6.1
61.01688	11.2
61.98719	100.0
62.02015	1.7
71.01275	3.4
71.49998	2.1
73.02818	1.7
77.81129	0.9
80.05279	1.0
83.01260	1.6
85.02845	1.2
87.00764	1.3
89.02332	3.9
99.04429	1.2
101.02332	2.9
113.02321	2.9
161.04424	1.3
179.05598	1.4
219.97791	1.2
323.09879	3.6
325.18570	2.3
341.10950	1.8
383.27997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1152
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
50.90500	0.6
51.15808	0.5
55.53237	0.6
56.58995	0.6
59.01268	6.6
65.16134	0.5
71.01276	3.3
72.99200	38.4
73.02841	0.6
75.00761	2.4
76.96835	0.6
78.94037	0.5
85.02840	0.9
87.00766	2.8
89.02343	1.4
93.03343	2.1
97.05891	0.7
97.06491	10.4
99.00770	1.6
101.02345	1.5
103.00274	3.1
107.04951	5.2
108.02071	9.4
109.02872	5.7
111.04408	1.0
112.05224	3.4
113.02397	0.6
115.55913	0.5
119.04960	0.7
121.02870	46.0
122.03705	7.5
123.04465	4.6
126.78347	0.5
133.02863	0.8
134.03674	0.7
135.04428	5.0
136.01616	0.8
137.02361	1.2
141.16844	0.6
143.04919	0.5
145.02866	1.8
146.03651	0.6
147.00812	2.0
147.04454	1.2
149.02394	2.2
150.03189	1.1
151.03966	3.3
152.08377	0.6
153.09152	0.8
154.02675	0.6
161.02394	2.9
161.04475	0.6
163.02711	0.9
163.03946	11.1
164.04707	4.2
165.05423	0.9
175.07748	0.7
177.01773	0.7
178.02657	1.2
178.06523	0.6
179.03462	43.0
180.04211	10.1
181.05064	3.1
189.01903	2.0
191.03185	0.5
201.09148	2.0
206.02159	0.5
207.03026	5.0
208.03755	5.2
219.10269	2.0
223.05989	1.0
234.03815	0.7
243.10182	0.6
245.08295	0.5
277.10855	7.6
278.11292	1.0
291.08762	1.2
305.10318	3.7
309.09793	4.8
313.55518	0.7
323.11612	2.9
341.06213	0.7
367.10422	6.3
385.11487	100.0
386.11816	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	383.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76021	0.5
57.03340	3.5
58.00451	0.8
59.01262	12.1
61.98703	0.8
69.03333	1.2
71.01266	3.4
71.04913	3.1
71.53992	0.7
72.99176	0.7
73.02825	1.5
81.03339	0.7
83.04922	2.8
84.02041	0.6
85.02855	1.3
85.06472	3.1
87.04395	1.3
89.02335	5.0
91.03896	23.2
95.01284	0.7
95.04911	0.6
97.02837	1.9
97.06480	1.1
97.13696	0.7
101.02338	1.6
106.04176	0.6
109.06482	2.9
111.04397	0.8
111.08042	1.1
113.02334	1.0
123.04421	1.0
127.07558	0.6
137.09613	2.3
153.36388	0.6
166.89023	0.5
167.10667	1.2
171.10201	2.5
177.12805	0.9
179.10736	0.8
179.14297	2.0
195.13882	14.8
196.14240	1.2
205.12247	0.9
211.13374	2.5
217.15933	1.1
221.15460	9.6
223.13364	6.0
223.17041	0.9
225.15068	0.6
233.15451	1.7
235.16870	1.0
239.16537	2.5
247.20668	1.2
251.16635	3.6
273.18707	1.7
281.21262	0.9
291.19714	37.6
292.20108	3.7
309.20761	100.0
310.21124	8.2
313.44232	0.6
323.09824	1.8
341.10767	1.6
383.11600	2.9
383.24542	3.1
383.28635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76021	0.5
57.03340	3.5
58.00451	0.8
59.01262	12.1
61.98703	0.8
69.03333	1.2
71.01266	3.4
71.04913	3.1
71.53992	0.7
72.99176	0.7
73.02825	1.5
81.03339	0.7
83.04922	2.8
84.02041	0.6
85.02855	1.3
85.06472	3.1
87.04395	1.3
89.02335	5.0
91.03896	23.2
95.01284	0.7
95.04911	0.6
97.02837	1.9
97.06480	1.1
97.13696	0.7
101.02338	1.6
106.04176	0.6
109.06482	2.9
111.04397	0.8
111.08042	1.1
113.02334	1.0
123.04421	1.0
127.07558	0.6
137.09613	2.3
153.36388	0.6
166.89023	0.5
167.10667	1.2
171.10201	2.5
177.12805	0.9
179.10736	0.8
179.14297	2.0
195.13882	14.8
196.14240	1.2
205.12247	0.9
211.13374	2.5
217.15933	1.1
221.15460	9.6
223.13364	6.0
223.17041	0.9
225.15068	0.6
233.15451	1.7
235.16870	1.0
239.16537	2.5
247.20668	1.2
251.16635	3.6
273.18707	1.7
281.21262	0.9
291.19714	37.6
292.20108	3.7
309.20761	100.0
310.21124	8.2
313.44232	0.6
323.09824	1.8
341.10767	1.6
383.11600	2.9
383.24542	3.1
383.28635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.9
68.99699	0.7
71.01248	0.8
71.04903	0.5
71.23283	0.7
74.36250	0.3
79.05414	0.7
81.03333	0.4
83.04925	0.6
87.00770	18.6
88.01099	0.4
89.02318	0.4
90.88111	0.3
91.05436	1.7
93.03364	3.2
95.04890	0.6
97.06492	10.3
103.05389	0.6
104.98033	0.3
105.03356	1.9
107.04934	17.3
108.02094	0.9
108.05243	0.4
108.10591	0.4
109.02869	0.5
111.04433	1.6
112.01584	0.4
112.05213	15.4
113.02351	0.4
115.12680	0.3
119.04939	2.5
121.02872	47.3
122.03690	10.7
123.04474	2.6
124.01601	0.5
124.86572	0.3
129.03418	0.4
130.04169	0.5
130.99800	1.3
131.35490	0.3
133.02904	0.5
135.04424	2.3
136.01601	0.6
136.05205	1.7
137.02388	4.7
139.03970	1.1
143.04948	1.2
145.02811	0.4
146.03648	1.8
147.04454	22.5
148.05275	4.3
149.02353	1.8
149.06036	0.6
153.01868	0.5
154.02687	0.4
161.02321	0.8
163.03957	15.9
163.07584	0.6
164.04744	8.3
165.05501	1.8
172.05272	1.0
175.07588	1.3
177.01833	0.5
178.06310	13.9
179.07095	12.2
180.07368	0.4
181.19678	0.4
191.03487	7.1
191.10780	0.4
192.04253	6.2
192.50270	0.3
193.01341	0.4
193.04909	1.1
194.02234	1.2
201.09204	9.6
202.09514	0.5
203.07072	0.4
219.10359	1.8
233.01300	0.3
233.08083	0.4
254.04265	1.7
261.11420	1.4
289.10895	1.2
291.08783	1.8
293.04758	0.5
309.03992	1.0
315.88116	0.4
321.13513	0.5
323.11414	12.0
324.11780	0.8
351.10922	7.2
352.11560	0.6
365.12457	0.7
365.19604	0.5
368.09171	0.7
383.13577	100.0
384.13895	10.3
394.73544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1359
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
59.01262	4.5
68.99696	0.4
70.73853	0.5
71.01270	0.8
71.04939	0.5
73.02860	0.3
77.34071	0.2
79.05443	0.3
81.03337	0.5
82.33708	0.3
83.04916	1.2
87.00771	13.0
89.02350	0.5
91.05431	1.2
93.03355	3.2
95.01334	0.3
95.04923	1.3
97.06488	28.0
98.06851	0.7
99.00803	0.4
99.04430	0.3
101.02330	0.6
103.05443	1.0
105.03369	1.4
107.04927	8.0
108.02090	0.9
109.02856	0.6
111.04424	4.0
112.05226	1.8
113.02356	0.7
113.06004	0.9
119.04933	1.5
121.02870	53.1
122.03674	18.0
123.04472	4.3
129.03436	0.3
134.03598	0.4
135.04460	3.1
136.04790	0.3
137.02368	3.0
139.03937	1.2
145.06520	0.7
147.04449	21.4
148.05263	6.1
149.02380	1.9
149.06006	1.4
150.03174	0.5
152.01091	0.5
154.61777	0.2
161.04663	0.3
161.06021	0.4
163.03955	15.8
164.04745	6.4
165.05539	2.3
167.06126	0.3
175.07646	0.6
185.11821	0.4
191.03461	7.9
191.05148	0.6
192.04240	5.5
193.04984	1.3
201.09215	2.1
217.01421	0.3
217.08777	0.8
219.10284	3.0
220.10634	0.3
245.11890	0.4
261.11325	2.1
289.10880	2.6
291.08859	0.9
307.11874	0.6
309.04086	0.3
321.13593	1.2
323.11340	10.8
324.11905	1.2
339.14346	0.4
351.10904	4.9
352.11185	0.6
365.12448	0.9
383.13535	100.0
384.13895	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.7
59.01263	2.1
69.51855	2.0
71.01251	0.9
78.03337	0.3
79.01765	0.2
85.02828	0.3
85.06478	0.3
89.02315	0.6
91.03895	3.0
91.50983	0.2
98.19753	0.3
105.03358	0.5
108.02065	0.3
109.02833	0.4
109.06468	0.5
111.04424	0.3
112.00286	1.4
121.02864	1.0
136.01584	0.4
137.02330	0.4
145.02924	0.3
148.01570	3.0
148.05008	0.3
149.02309	0.8
150.03181	0.5
151.00266	0.6
160.01607	1.3
161.02348	0.8
161.04430	0.3
163.00330	0.5
165.01881	1.1
171.10193	0.2
173.06102	0.2
179.14388	0.3
181.06613	0.3
188.01111	5.5
189.01810	1.3
190.02682	0.9
195.13863	2.0
197.06029	1.0
203.10658	0.5
209.05988	0.6
210.06723	0.3
211.04028	0.5
213.05501	0.8
214.06331	0.6
215.03432	0.3
221.15471	1.1
223.13359	0.6
223.16939	0.3
224.04781	0.6
225.05559	3.8
226.06334	0.8
227.03545	0.5
228.04176	0.3
237.05420	0.4
239.03474	0.6
239.16556	0.4
241.05063	5.4
242.05617	1.1
251.16504	0.6
252.04280	0.4
253.05080	4.6
254.05713	1.0
255.03029	0.4
267.02994	0.4
268.03729	1.2
269.04599	7.5
270.05276	2.1
273.18665	0.3
280.03799	0.8
281.04578	0.9
283.02798	0.5
283.06155	1.3
284.06787	1.2
291.19717	5.4
292.20013	0.3
295.06125	0.3
296.03329	2.5
297.04102	10.3
298.04877	58.1
299.05222	4.8
309.04160	0.4
309.20776	15.1
310.21124	0.8
311.05606	3.2
312.06403	5.4
313.07242	15.2
314.07544	1.1
316.05978	0.6
321.07706	0.3
344.05411	8.8
345.05737	0.8
349.07275	1.6
350.08017	4.3
351.08459	0.7
365.10339	4.3
366.10724	0.5
368.09021	4.2
368.13120	0.4
369.09348	0.4
383.11429	100.0
384.11743	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	383.1145
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
52.29863	0.3
57.03338	0.3
59.01267	2.6
61.98702	0.3
62.54631	0.3
68.99689	1.4
69.72951	1.8
71.01263	1.0
73.02834	0.5
75.00729	0.3
85.02827	0.6
87.00775	0.6
89.02333	0.8
93.03365	0.4
98.20485	0.6
99.00783	5.0
101.02347	0.5
105.03354	0.4
108.02093	0.3
109.02888	0.4
113.02355	0.8
113.48025	0.3
119.03411	0.5
121.02863	1.0
133.02858	0.5
136.01613	0.5
137.02371	1.1
145.02888	0.6
148.01591	3.1
149.02405	1.7
160.01630	1.3
161.02374	0.7
161.04509	0.3
163.00346	0.5
165.01881	0.8
167.03365	0.3
177.01906	0.4
179.03337	0.3
179.05586	0.4
181.06627	0.3
188.01128	6.0
189.01884	1.9
190.02608	0.8
197.06042	0.8
199.04019	0.4
201.02013	0.3
209.06067	0.4
211.04001	0.6
213.05588	0.8
214.06400	0.5
215.03488	0.4
217.05109	0.4
224.04770	0.6
225.05589	3.7
226.06281	1.1
227.03502	0.7
231.02933	0.3
237.05345	0.4
239.03572	0.4
241.05118	6.0
242.05624	1.1
252.04207	0.4
253.05124	4.3
254.05801	0.9
255.03026	0.7
267.03143	0.3
267.06509	0.3
268.03830	1.2
268.07306	0.4
269.04617	7.5
270.05310	2.3
280.03610	0.4
281.04547	1.8
283.02765	0.5
283.06192	1.1
284.06970	1.6
295.06195	0.5
296.03278	2.4
297.04099	10.3
298.04880	61.7
299.05194	4.9
309.04102	4.7
309.07510	0.2
310.04803	3.4
311.05673	3.3
312.06415	5.6
313.07230	15.7
314.07596	1.1
316.05875	0.7
321.07858	0.3
325.07230	2.2
335.05539	0.4
344.05420	10.9
345.05743	0.8
349.07172	1.9
350.08023	4.9
351.08682	0.7
365.10449	4.1
366.10797	0.5
368.09045	6.7
369.09558	0.7
383.11432	100.0
384.11768	12.5
401.29324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46444	0.3
53.56390	0.3
59.01259	1.7
71.01263	0.7
71.08395	0.8
78.95801	0.3
80.01252	0.3
85.02847	0.4
87.00775	0.4
89.02328	0.7
101.02325	0.4
109.02850	0.5
121.02866	0.8
125.02397	0.4
129.07156	0.3
133.02881	1.0
148.01569	0.7
149.02350	0.9
160.01575	0.4
161.04582	0.3
163.00253	0.9
165.01753	0.3
170.72462	0.3
175.00348	0.7
188.01146	2.0
200.01057	1.3
201.01936	2.2
202.02670	0.3
211.03938	0.3
225.05463	0.5
227.03470	1.3
229.04941	0.6
237.05562	0.5
237.09273	0.3
239.03625	0.4
241.04974	1.6
242.05754	0.6
243.06595	0.6
253.05078	1.1
255.02927	0.4
264.04330	0.3
265.05176	0.8
267.03012	0.8
267.06433	0.4
269.04517	1.0
270.05334	0.3
281.04599	1.3
285.03903	0.6
293.04443	0.4
295.06204	2.2
296.03342	0.5
296.06375	0.4
297.04037	2.1
298.04858	3.6
305.08621	0.4
308.03351	1.0
309.04095	39.4
310.04425	3.6
311.05695	1.1
312.06284	0.4
323.05630	1.1
323.09470	1.8
324.06299	0.3
326.04382	0.5
333.07675	1.0
335.05396	0.6
336.06326	0.9
337.07217	2.2
338.08014	11.1
339.08386	1.7
344.05392	0.9
349.07028	1.5
350.07916	3.2
351.08795	13.7
352.09183	1.4
353.06329	0.3
353.10352	5.8
354.10779	0.8
365.10294	3.5
367.08395	0.6
368.09052	27.1
369.09341	3.1
383.11414	100.0
384.11752	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	383.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93671	0.5
51.04416	0.5
57.64960	0.5
59.01250	2.9
64.05563	0.5
65.00214	0.8
70.23651	1.1
70.24020	0.9
71.01254	1.1
78.95744	0.5
79.01774	7.2
87.00803	0.5
89.09552	0.4
89.38300	0.5
97.02769	0.5
101.02328	0.8
103.05453	0.7
107.04947	1.9
109.02857	1.6
113.02371	0.7
119.08578	1.5
121.02869	0.9
130.12616	0.5
131.04924	2.0
133.02882	5.2
133.06487	0.8
143.08586	2.7
144.05713	0.8
145.06528	1.1
148.01596	1.4
149.02376	3.1
157.06480	1.2
159.04393	0.8
159.08090	2.0
161.02353	1.6
163.07587	6.1
172.05238	1.8
173.02364	0.5
175.03935	1.3
175.07611	3.0
185.06041	1.2
187.03979	1.0
187.07614	11.8
188.07932	1.0
189.05502	2.1
198.03256	1.6
201.01874	4.9
203.07115	8.3
204.07541	0.9
213.05507	1.2
227.07051	0.8
231.06641	24.6
232.06996	1.8
267.03339	0.7
268.03897	4.6
269.04370	0.6
270.05283	0.9
281.04510	0.6
282.05338	1.4
293.11819	0.9
296.03351	1.6
307.06281	0.6
309.11331	0.6
309.20819	0.5
319.09781	0.8
321.11337	1.4
323.09830	1.1
334.61487	0.6
337.10858	11.1
337.14633	1.0
338.11017	1.3
365.10355	59.5
366.10767	6.4
383.11426	100.0
384.11728	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	383.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	3.2
59.01266	38.3
60.90269	2.8
63.55499	3.1
68.29945	2.6
69.62571	13.7
69.62990	6.3
71.01279	19.6
73.02850	3.4
75.00803	3.3
79.14291	2.7
82.79465	2.7
85.02834	6.4
87.00764	5.3
89.02338	3.4
92.55373	2.9
93.03403	3.8
99.00784	48.1
101.02323	4.7
119.04955	4.0
121.02898	6.3
127.00307	10.5
135.04474	3.9
136.67346	2.9
137.02376	14.1
138.03171	3.8
139.00270	4.9
147.04425	11.8
149.02364	14.0
151.03848	5.7
152.01013	3.3
153.05510	6.0
159.04462	9.6
161.02422	10.0
161.05937	3.5
162.03102	7.8
163.00352	3.5
163.03952	21.3
164.04742	9.0
165.05524	8.0
173.02422	11.9
173.05995	3.3
174.03200	7.2
175.00293	6.0
175.03952	58.2
176.04689	9.3
177.01871	52.6
177.05482	25.2
178.02670	11.9
178.06322	19.9
179.03452	18.8
179.07124	8.8
179.10715	9.9
187.03978	22.0
188.04774	23.3
189.02054	4.0
189.05508	25.6
190.02682	10.4
190.06299	20.3
191.03471	24.8
192.04263	56.0
192.07883	4.0
193.05014	27.1
193.08704	7.6
194.05838	5.4
199.04002	12.7
202.02733	4.2
202.06288	4.9
203.03465	81.0
203.07130	35.7
204.04051	9.8
205.01361	15.4
205.05052	29.3
205.08661	14.0
206.05745	3.5
207.03084	6.9
207.06622	100.0
208.07228	13.9
209.08183	5.7
214.06390	8.5
216.04224	4.1
217.05069	48.9
217.08569	4.2
218.05833	50.6
219.03017	27.6
219.06589	11.7
220.03816	22.5
220.07343	16.4
221.04544	5.2
221.08163	11.1
222.05403	4.0
223.09775	9.0
224.03296	11.0
229.08685	3.8
231.02975	13.2
231.06659	5.0
232.07408	31.3
233.00864	4.9
233.04611	5.0
233.08176	28.4
234.05302	23.7
235.06140	40.2
235.09831	9.2
236.06367	4.3
237.07707	10.3
245.04576	3.9
246.05400	8.1
247.09804	98.1
248.03275	7.6
248.10072	6.1
249.04002	10.6
249.07718	95.5
250.04970	5.0
250.07991	8.5
251.09264	49.6
253.07260	4.4
259.06064	4.1
261.07712	50.9
261.10208	6.0
262.08066	3.7
263.05585	19.1
264.06183	3.6
265.07224	44.8
277.07318	6.3
279.08743	57.1
280.09128	4.1
281.06729	53.6
282.07190	5.0
291.08755	8.4
295.08255	11.9
303.08582	4.6
309.06021	6.0
321.09995	8.5
323.07721	55.9
324.08133	6.9
330.24133	3.5
337.07495	3.6
339.10901	10.0
383.10245	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24235	0.2
59.01265	100.0
60.01601	0.9
61.98700	0.2
75.00735	0.3
148.44591	0.2
165.57884	0.2
173.85001	0.2
209.15076	0.3
281.81046	0.3
322.27588	0.9
341.11292	0.3
383.28174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0779
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01262	13.2
60.69551	1.1
61.98749	1.3
67.08546	1.1
71.01282	3.4
71.51499	1.5
82.52471	1.2
83.93153	1.1
89.02344	2.9
101.02359	4.2
113.02348	3.4
119.03417	1.4
121.02874	100.0
122.03155	2.6
125.95558	1.1
147.04453	2.1
149.02380	2.2
154.01717	1.5
161.04463	2.7
173.02431	1.2
181.06534	4.7
191.03465	10.6
224.94495	1.3
225.05583	7.5
251.07066	3.1
295.06210	11.1
296.06564	1.4
309.21008	1.7
311.09366	15.5
312.09854	1.9
313.07205	18.2
323.09958	2.8
329.98672	1.5
339.08835	16.4
340.09134	1.6
341.10965	3.4
383.07745	33.3
383.28629	1.4
384.07974	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	381.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78948	0.4
59.01264	4.4
61.98770	0.7
70.84075	0.4
71.50124	0.6
71.50452	0.4
73.05334	0.4
75.56020	0.5
115.00296	0.4
123.04565	0.5
137.06032	0.6
138.06885	0.7
139.07460	0.5
149.06079	0.7
151.07668	1.2
170.05792	4.1
174.99242	1.1
199.13396	1.1
217.00320	6.0
219.17491	0.6
233.19188	1.3
235.20677	1.2
251.20140	3.0
265.22400	0.4
277.18158	77.2
278.18457	7.9
279.19720	21.1
280.20096	1.9
295.19208	100.0
296.19556	10.8
363.25461	18.4
364.25800	2.6
381.26532	8.4
382.26816	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
59.01269	4.0
71.04926	0.8
94.59666	0.5
122.03672	0.5
126.53908	0.5
130.90929	0.5
138.40765	0.6
150.27080	0.4
151.11226	0.6
152.99559	0.6
153.12770	3.7
155.14410	0.5
163.11267	1.7
165.12820	4.1
170.05832	2.8
179.10735	12.6
180.11072	1.3
181.12305	33.0
182.12668	1.6
192.11493	0.5
192.83412	0.5
195.10240	2.5
197.11842	1.7
199.13382	100.0
200.13705	6.6
208.64056	0.5
215.12883	2.6
217.00293	5.2
245.30464	0.5
260.55560	0.6
323.05759	0.7
363.25476	7.3
364.25760	0.5
381.13391	1.7
381.26523	6.3
382.26907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1351
Annotation	Gancaonol A
Peak:m/z	Relative Intensity
53.29503	0.2
56.60115	0.2
59.01266	1.5
61.98676	0.2
63.77753	0.2
67.13042	0.2
70.36929	0.4
70.37328	0.3
74.94736	0.2
83.94167	0.2
91.13399	0.2
98.19882	0.2
106.92659	0.2
123.04372	0.2
126.71908	0.2
133.02895	1.5
135.04414	0.6
154.05281	0.2
157.10034	0.2
159.04413	0.2
161.02373	0.2
174.99216	0.2
185.06084	0.3
186.06746	0.4
201.09160	0.5
203.03517	0.3
213.05524	0.4
215.03305	0.3
217.00290	2.0
223.07687	0.4
237.05563	0.9
238.06000	0.2
239.07140	0.4
240.07768	0.5
251.07114	0.7
252.07834	0.3
253.05119	0.2
263.07306	0.9
264.07886	0.4
267.06732	1.7
268.07385	0.8
275.07156	0.3
279.06754	0.9
280.07343	0.4
281.04626	1.1
283.06317	0.2
293.04492	0.3
295.06146	2.5
296.06955	2.4
297.07297	0.2
307.06183	11.2
308.06750	2.3
309.07730	0.4
319.06210	0.6
325.07260	0.3
326.07980	1.3
328.05957	4.2
329.06281	0.3
340.05948	2.2
347.09341	1.4
348.09967	0.4
351.12473	8.9
352.12814	0.9
358.06989	3.6
359.07300	0.4
363.12460	28.2
364.08441	0.1
364.12845	3.8
379.11987	1.2
381.13522	100.0
382.13879	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	381.135
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
52.82265	0.2
55.22391	0.2
58.53933	0.2
59.01263	1.1
61.98703	0.3
67.01797	0.2
93.03336	0.6
93.23144	0.2
107.04931	0.3
109.02863	0.2
117.03359	1.9
119.04975	1.5
121.02853	0.3
123.04462	0.3
129.07033	0.3
129.48793	0.2
132.02068	0.5
133.02878	1.9
133.06485	0.5
135.04443	0.5
143.04970	0.3
149.02368	0.5
159.04475	0.3
169.17654	0.2
171.04607	0.3
175.03947	0.7
177.01970	0.5
185.06093	0.5
187.03975	0.6
189.01901	0.4
189.09070	0.3
190.02698	0.3
197.05937	0.3
198.06604	0.3
199.03993	0.3
199.07553	0.4
201.01889	1.4
201.05563	1.0
201.09177	0.4
203.03502	0.9
207.02893	0.3
207.08148	0.5
215.03494	2.8
225.05577	0.4
226.06425	0.3
227.03499	4.4
227.07069	0.4
229.05034	2.6
229.08707	0.3
230.08852	0.3
233.04448	0.4
235.07678	0.4
237.05659	1.0
238.06416	0.5
239.07153	0.6
245.04550	0.7
245.08273	1.0
250.06432	0.3
251.07118	1.0
253.05080	0.6
254.05812	0.3
255.03114	0.6
255.06778	0.5
263.07196	1.1
264.07904	0.3
265.05176	0.7
267.06650	1.7
268.07428	0.7
269.08395	0.3
270.09061	0.6
271.09705	0.3
275.07260	0.3
276.08179	0.3
277.05161	0.5
279.06787	1.4
280.06976	0.3
281.04584	1.0
282.05386	1.1
289.18024	0.3
293.04645	1.1
294.05377	0.8
295.02957	0.4
295.06192	2.5
296.03275	0.8
296.06952	2.1
297.07715	1.0
307.06189	8.3
307.09723	0.5
307.13516	0.4
308.06870	2.3
309.04095	0.7
309.07681	0.6
312.06525	0.4
319.06329	1.4
319.09467	0.3
319.13409	0.6
320.06921	0.7
321.07880	0.5
325.07242	2.6
326.07971	1.1
328.06021	2.2
335.09436	1.0
336.10190	0.6
338.07956	0.8
340.06033	1.3
347.09375	0.7
348.09964	0.4
351.12473	7.1
352.12766	0.8
358.07016	2.2
363.08670	5.8
363.12524	18.8
364.09067	0.6
364.12836	2.4
367.07733	0.3
379.12009	0.8
381.13559	100.0
382.13968	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	381.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.7
70.60342	1.6
71.01291	0.9
79.65245	0.5
93.03397	1.0
104.81528	0.6
107.04990	1.4
108.82655	0.6
109.02860	3.4
113.12526	0.5
121.02934	1.6
132.02161	0.5
133.02878	17.8
134.03326	0.7
135.04462	1.0
139.03981	0.9
145.02904	0.6
145.06586	0.6
147.04578	0.6
148.01601	2.8
148.41391	0.5
149.02417	3.9
157.06616	2.1
159.04517	1.1
161.02460	0.7
171.04536	0.6
171.10190	0.6
173.06116	1.0
175.03983	1.2
183.04498	0.8
185.06111	2.0
187.04042	0.9
189.02002	0.6
191.85341	0.5
199.07693	0.6
201.02036	0.7
201.05623	1.7
208.05380	0.5
209.06120	0.9
211.04001	1.4
212.04654	0.6
213.05518	0.5
216.98521	0.5
217.00171	2.6
225.05544	0.7
227.03526	1.5
227.07208	1.5
229.04988	2.8
239.03697	0.5
245.09784	0.7
247.07828	1.4
248.08240	0.7
249.05559	0.9
253.05206	0.9
254.05888	1.0
255.03058	0.7
255.06709	2.1
259.07635	0.8
260.08521	0.5
261.06000	0.5
261.09146	1.1
263.07455	0.9
263.10873	2.0
266.05917	0.7
273.09357	1.8
275.07251	2.9
276.07956	1.8
277.05399	0.8
277.08554	0.9
279.03058	0.8
279.10379	1.6
280.03983	0.7
289.08771	2.3
289.18069	0.9
290.09299	0.8
291.06729	2.5
291.10379	4.3
291.19720	1.2
292.03882	0.6
292.07318	0.7
293.04486	0.5
293.08112	0.8
301.08740	1.0
303.06772	1.7
304.07410	2.2
305.08301	0.7
307.02597	1.2
307.06580	0.7
307.09641	3.0
309.20779	0.8
317.08228	3.0
318.08917	1.3
319.02530	1.7
319.06226	0.9
319.09586	3.0
320.06860	1.2
321.07617	1.0
322.04984	0.7
323.05502	0.6
333.07809	0.9
334.08453	1.2
335.09320	17.2
336.09677	2.3
343.06006	0.7
345.07761	4.5
346.08490	0.9
351.08759	0.8
361.07346	1.0
362.08044	1.9
363.08813	78.4
364.09149	9.8
366.07642	0.8
381.09848	100.0
382.10162	12.4
382.14700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.099
Annotation	Velloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
52.22496	0.6
54.60937	0.6
59.01047	0.6
59.01269	7.3
90.14955	0.7
119.01315	1.9
119.38976	0.7
121.02902	1.8
134.90594	0.6
141.17755	0.7
149.02359	1.3
151.00262	1.1
171.10231	1.5
174.99161	1.6
183.04462	1.5
185.11826	1.6
187.03912	0.7
188.01181	0.9
211.03940	1.4
215.03790	0.7
217.00327	8.2
222.71588	0.6
227.03366	1.1
253.05138	0.6
255.03032	74.3
256.03357	5.7
281.04727	0.8
283.02554	26.8
284.02982	2.6
299.06445	0.7
307.19302	1.9
309.04022	9.9
309.07352	1.0
323.05734	0.7
338.08090	3.4
348.06821	0.8
349.06760	1.0
353.10254	0.8
363.08829	0.8
366.07532	5.2
381.09882	100.0
382.10251	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	381.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05666	0.6
57.03330	6.9
59.01268	3.3
60.37243	0.6
63.02290	5.2
65.00210	22.8
69.30990	7.4
71.01271	1.0
76.42728	0.6
81.03358	1.1
83.01280	11.8
96.95889	0.7
107.01299	26.5
124.01612	0.9
125.02366	55.6
126.02672	0.9
137.02434	0.8
146.03630	1.6
151.00308	85.0
152.00703	2.6
159.04443	0.8
169.01401	4.2
171.04462	1.0
172.05270	11.1
173.05989	2.8
174.03140	1.2
177.01900	1.6
183.08086	0.7
185.06015	4.0
186.06796	2.9
187.03847	0.8
187.07570	1.0
188.04767	0.7
199.03983	4.7
199.07632	2.1
200.04771	49.1
200.08447	3.2
201.05164	4.6
201.09206	8.2
203.07191	2.2
204.04309	1.2
210.06857	0.8
211.04086	0.8
211.07602	2.1
212.04813	2.3
213.05550	1.6
214.06233	0.7
215.07166	2.1
218.05737	0.8
224.04840	0.6
225.09148	1.2
227.03569	1.0
227.07140	3.5
228.07846	1.1
229.08713	83.1
230.09010	4.7
235.07648	0.8
237.05504	1.0
238.06212	0.8
240.04277	1.6
241.04971	0.9
243.10390	0.7
251.07257	1.4
253.05051	2.0
253.08754	3.3
254.05775	0.8
255.03128	1.7
255.06622	7.1
265.05225	1.4
265.08685	0.8
266.09521	1.2
267.03131	0.9
268.07480	2.0
269.08121	1.2
277.08621	1.0
279.58157	0.7
280.03659	1.0
280.07422	0.8
281.04602	2.2
284.03329	2.0
293.04752	0.8
295.06281	1.0
295.09796	2.6
296.03275	1.0
297.07736	1.7
306.05377	1.0
307.06262	1.2
308.03363	3.3
308.07074	1.8
309.04108	60.5
310.04535	5.2
319.09805	2.5
321.07782	1.4
322.04791	2.3
323.05496	1.4
324.06512	3.0
335.09244	1.2
337.07227	11.5
337.10913	3.8
338.07779	3.4
351.05170	2.6
352.05829	2.4
363.08865	2.8
381.09872	100.0
382.10242	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	379.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.8
57.03328	2.5
57.56722	0.9
58.00478	3.9
59.01265	98.4
60.01602	1.3
67.01743	0.9
69.03312	1.0
71.01269	78.6
71.56290	1.1
72.01595	1.1
72.99194	8.5
73.02834	14.0
75.00769	1.5
83.01285	5.6
85.02844	13.6
87.00758	6.8
89.02336	100.0
90.02673	1.7
95.01279	2.5
97.02832	2.4
99.00779	12.6
99.04456	0.8
99.40012	0.9
101.02347	53.8
109.96449	0.9
111.00799	1.3
113.02356	19.8
115.03951	1.2
119.03420	15.8
125.02370	13.9
131.03433	30.0
131.07079	1.0
131.29482	0.8
132.03812	1.1
143.03426	3.4
149.04501	54.6
150.04855	1.0
157.05017	1.2
161.04509	8.3
179.05559	7.4
191.03957	1.5
191.05603	17.3
221.06595	1.0
233.06642	1.0
247.11934	6.0
251.07741	2.0
255.44194	0.9
331.11832	1.0
335.13629	1.7
379.16177	43.6
379.23270	1.8
380.16440	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	379.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51484	0.3
55.41327	0.4
57.03338	2.0
59.01265	100.0
59.80487	0.3
60.01605	1.0
64.62716	0.4
71.01264	6.1
71.56583	0.5
72.36762	0.4
73.02831	2.6
75.00777	0.7
79.92995	0.4
83.01303	1.0
85.02844	2.6
87.00798	0.5
87.81409	0.3
88.29222	0.4
89.02362	0.8
94.88255	0.3
95.01312	0.3
99.00799	1.2
99.04410	0.9
101.02341	5.4
103.00270	1.9
113.02376	2.9
116.11491	0.4
131.43088	0.3
134.03516	0.4
143.03479	0.4
150.21669	0.4
159.02950	1.0
161.04501	8.6
201.05614	0.9
211.07715	1.0
216.04399	0.5
217.05350	0.5
219.03059	1.4
219.06580	3.0
231.06691	0.5
234.05501	1.4
235.11969	0.5
262.04874	2.8
263.05240	0.6
275.11737	0.4
291.08942	0.4
319.17691	14.9
320.18176	1.5
350.02972	1.5
379.06879	0.9
379.11337	0.5
379.19901	1.4
379.23859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32384	0.4
55.50093	0.4
59.01252	0.9
68.78199	0.4
71.10623	1.4
99.92482	0.8
101.08933	0.5
116.92736	0.7
132.97920	0.4
144.22656	0.4
204.99953	0.5
261.18845	0.6
289.27744	0.4
347.26047	6.5
348.26419	0.9
379.28619	100.0
380.29004	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	379.2864
Annotation	Persin
Peak:m/z	Relative Intensity
59.01252	0.6
70.11195	2.1
70.11608	1.2
72.67723	0.6
89.84599	0.6
153.31178	0.6
295.08832	0.9
347.25977	9.7
348.26245	1.0
379.28644	100.0
380.28961	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	379.1619
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01768	1.8
57.03328	2.5
57.56722	0.9
58.00478	3.9
59.01265	98.4
60.01602	1.3
67.01743	0.9
69.03312	1.0
71.01269	78.6
71.56290	1.1
72.01595	1.1
72.99194	8.5
73.02834	14.0
75.00769	1.5
83.01285	5.6
85.02844	13.6
87.00758	6.8
89.02336	100.0
90.02673	1.7
95.01279	2.5
97.02832	2.4
99.00779	12.6
99.04456	0.8
99.40012	0.9
101.02347	53.8
109.96449	0.9
111.00799	1.3
113.02356	19.8
115.03951	1.2
119.03420	15.8
125.02370	13.9
131.03433	30.0
131.07079	1.0
131.29482	0.8
132.03812	1.1
143.03426	3.4
149.04501	54.6
150.04855	1.0
157.05017	1.2
161.04509	8.3
179.05559	7.4
191.03957	1.5
191.05603	17.3
221.06595	1.0
233.06642	1.0
247.11934	6.0
251.07741	2.0
255.44194	0.9
331.11832	1.0
335.13629	1.7
379.16177	43.6
379.23270	1.8
380.16440	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	379.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51915	0.2
57.03358	0.2
59.01223	0.3
60.25795	0.2
69.57996	0.6
69.58398	0.8
71.10593	0.2
79.05412	0.6
79.10497	0.2
80.47020	0.2
82.32253	0.2
85.39413	0.2
93.03361	1.2
107.04948	1.0
117.03372	1.9
119.04951	1.5
123.04433	0.7
132.02103	1.0
133.02873	2.3
135.04407	0.3
143.04947	0.2
145.02876	0.3
148.72067	0.2
149.02335	0.4
155.08659	0.3
159.04407	0.5
167.04935	0.2
168.24004	0.2
169.06427	0.2
171.08101	0.7
173.06163	0.2
175.07599	0.3
176.01151	0.4
183.08098	0.4
187.07597	1.0
189.01860	0.3
197.06049	0.6
199.07608	0.8
200.04663	0.3
203.03471	1.4
205.08636	0.3
209.06007	0.4
211.07680	0.5
213.05548	0.7
215.03534	1.9
215.07077	0.5
216.03954	0.2
217.08649	0.8
225.05539	0.7
227.03528	1.1
227.07155	1.3
228.04112	0.3
228.07803	0.4
231.02991	0.6
238.06419	0.5
239.07155	2.6
240.07892	0.2
241.05063	3.1
242.05316	0.3
243.06580	0.4
245.09816	0.6
249.05565	0.4
250.06238	0.3
251.07193	0.7
253.05121	1.2
255.06635	5.2
256.07413	6.4
257.07816	0.6
261.09348	0.5
265.05209	0.3
266.05869	0.6
267.06647	3.5
268.07440	3.7
269.07910	0.4
271.06168	0.3
273.09213	0.3
275.07144	0.6
275.10666	0.4
277.05328	0.3
278.05875	0.4
285.07727	1.3
286.08481	2.4
287.10901	0.5
289.08710	0.9
289.11975	0.2
290.09418	0.6
293.04568	0.3
294.05319	0.3
299.10892	0.6
301.08731	0.4
303.10266	0.4
304.11093	0.4
305.04654	0.3
305.08398	0.4
305.11917	1.4
306.05478	1.0
307.05988	0.3
308.06833	0.3
315.10455	0.4
316.07205	0.3
317.04684	0.2
317.08438	0.4
317.11859	1.7
318.05301	0.9
319.06339	1.0
319.09570	0.4
321.07770	0.2
321.11407	0.3
331.06314	0.4
331.09805	2.1
333.07712	2.3
333.11594	0.7
334.08496	2.9
335.09250	0.3
335.12924	1.3
343.09760	2.1
345.07727	0.5
346.08408	0.4
347.09213	0.5
348.10010	0.5
349.06744	0.4
349.10883	5.9
350.11273	0.8
351.12415	0.8
360.10007	0.2
361.10889	9.5
362.11255	1.4
363.08923	0.3
377.10306	0.5
378.11191	0.4
379.11929	100.0
380.12283	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35982	0.9
59.01255	3.5
69.54474	6.1
83.04973	1.0
96.95901	1.2
137.80334	1.0
141.12784	7.8
146.59404	0.9
150.07393	0.9
155.14336	4.0
170.04097	1.0
249.22340	8.4
277.21570	1.4
295.22830	100.0
296.23224	12.2
341.10947	1.0
377.23016	6.8
378.23413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.8
61.98714	100.0
69.78374	2.4
83.39821	0.4
145.93684	0.4
187.36208	0.4
194.46846	0.4
248.39037	0.4
316.46173	0.5
319.22586	0.6
341.09756	0.9
378.18976	5.0
379.12201	0.6
379.24860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42664	0.5
59.01261	1.8
61.98717	100.0
69.14660	0.5
71.53445	0.9
78.22728	0.5
78.96294	0.4
83.31238	0.5
84.00808	1.1
86.73820	0.5
92.25902	0.5
109.60877	0.5
126.33559	0.4
130.73335	0.5
136.72955	0.5
139.11206	0.5
173.02390	0.5
191.18069	0.6
193.59119	0.5
207.40042	0.5
247.05894	0.5
293.21298	15.6
294.21576	1.8
378.19055	18.9
378.23993	1.0
379.19370	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	377.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
59.01266	28.6
61.98716	4.4
69.99023	5.0
117.55393	1.7
133.02846	3.8
135.04459	2.0
151.11171	2.3
171.10237	34.8
177.40759	1.5
190.74876	1.4
198.99359	1.4
209.07985	2.0
219.97821	2.6
230.15729	1.7
239.40871	1.5
243.06569	1.9
269.08206	2.1
277.21796	50.5
278.22125	4.8
295.22867	100.0
296.23206	11.1
317.21069	31.4
318.21292	3.5
335.20892	2.2
361.19974	6.8
377.06570	6.3
377.10660	28.9
377.23026	34.6
378.10550	4.3
378.23215	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	377.2316
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
53.61114	1.0
59.01264	21.1
61.98709	2.5
62.91935	0.9
71.41708	1.6
72.65839	0.9
82.34933	1.0
89.02332	1.2
95.04936	7.5
113.09613	3.3
129.40834	0.9
171.72389	1.1
179.14369	1.1
191.19983	1.0
195.12115	1.3
195.13867	18.7
196.14185	1.2
228.71294	1.1
246.12418	1.3
247.09589	1.1
249.22218	1.5
277.21759	16.4
278.11475	6.6
278.22128	2.0
279.12476	1.1
281.14005	1.2
295.22842	100.0
296.23199	11.8
299.19916	1.2
317.21030	46.5
318.21338	4.7
341.11041	2.7
361.20032	6.1
377.10605	2.2
377.22495	15.6
377.27097	6.0
378.22943	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	375.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	26.0
60.01595	0.9
69.59679	5.0
75.89899	0.7
93.03336	0.9
95.04922	35.2
96.05276	1.4
99.92479	1.0
111.08040	0.8
111.12025	0.8
127.07665	0.7
150.02957	1.0
163.15269	0.8
174.99210	2.3
179.14326	1.8
189.05307	1.8
195.13844	10.7
205.12445	0.9
211.13400	1.0
217.00301	7.3
223.13419	9.0
242.16376	0.9
246.12363	13.2
247.12756	1.3
249.06236	1.2
251.05667	0.7
254.02718	1.2
256.13211	2.4
258.45413	0.7
259.85840	0.7
275.20096	4.0
278.11401	87.2
279.11655	4.9
293.21292	100.0
294.21622	10.4
306.13242	1.5
315.19455	24.3
316.19821	2.4
338.12259	9.3
339.12595	1.9
357.24573	0.8
375.08774	1.9
375.21567	6.0
376.21616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73058	0.8
59.01263	56.2
61.98714	2.1
63.31195	0.9
65.09255	0.9
65.39233	0.9
71.04897	4.9
71.44246	1.9
75.95937	0.9
78.95787	2.6
80.46539	1.0
82.88839	0.8
96.65279	0.9
96.74635	0.9
110.71201	0.9
112.89880	0.8
166.51636	0.9
174.99188	1.9
200.89050	1.1
209.15417	1.7
217.00298	9.5
221.15509	2.2
223.17021	4.0
231.21021	1.1
235.17041	29.7
236.17384	2.4
275.20203	30.6
276.20557	2.9
293.21292	100.0
294.21591	10.6
349.63184	1.1
359.01263	2.1
375.21591	44.6
376.21893	6.6
381.99478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02547	1.2
57.03347	2.4
59.01266	100.0
71.00021	2.9
71.01266	6.2
73.02830	3.8
81.03346	8.4
83.04929	3.4
85.02843	6.8
93.03357	7.1
95.04907	2.3
97.06499	2.6
99.00748	1.6
101.02332	1.8
101.06037	1.9
111.04453	15.2
113.05926	1.5
125.09644	2.4
127.07611	2.5
127.11227	1.8
143.21231	1.3
171.10217	32.4
172.10623	1.5
185.11832	3.8
201.11299	18.8
202.11688	1.5
203.14366	1.4
211.13432	14.0
213.11459	2.0
215.12981	2.7
221.11790	7.4
223.28357	1.3
227.12964	1.9
239.12935	14.4
247.13489	4.3
250.05559	1.7
262.66855	1.3
265.14529	4.3
285.17215	4.9
305.17902	2.1
341.10995	1.5
341.19809	2.1
359.20871	5.7
377.22983	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	375.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71623	0.5
59.01257	2.3
61.98702	0.5
63.67102	0.5
65.83783	0.5
66.56508	0.5
71.51817	0.7
72.99207	0.8
80.91574	2.4
83.04903	0.7
88.28548	0.5
89.64706	0.5
90.59174	0.5
96.95920	1.5
98.52530	0.6
99.92492	1.1
124.78797	0.5
125.09624	1.0
139.11192	2.6
153.12811	1.9
191.18018	4.2
204.12563	0.5
247.20718	2.5
248.21048	0.6
293.21292	100.0
294.21603	9.7
375.21802	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	375.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16852	1.1
59.01251	1.7
59.84642	1.2
74.98987	1.0
107.45281	1.2
159.08418	11.5
161.06311	2.6
209.01280	2.4
229.11404	1.5
239.41545	1.3
277.07550	2.8
289.07632	1.4
291.09174	95.4
292.09305	13.2
309.10193	2.9
316.83878	1.2
340.45761	1.2
354.69785	1.3
359.15427	100.0
360.15598	17.5
362.89545	1.2
375.18640	9.9
376.18762	1.8
388.48260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2159
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
55.56892	0.9
58.37155	0.8
59.01265	51.6
61.98717	1.1
71.01262	1.4
71.03532	1.7
71.03867	1.6
73.58385	0.9
95.04928	3.2
108.71425	0.7
109.06475	1.2
112.78004	0.9
121.10154	29.5
122.10478	1.8
125.09667	1.0
135.04485	1.3
149.09660	2.1
171.10228	69.4
172.10561	3.5
174.99181	1.7
177.16556	1.4
181.68716	0.9
183.13866	1.8
185.11877	2.3
203.18178	0.8
207.10098	2.3
217.00294	7.0
231.21254	4.9
249.97621	0.9
253.09436	2.7
275.20209	100.0
276.20578	9.1
278.11404	11.2
293.21304	93.0
294.21640	11.2
297.18420	1.4
313.18018	1.1
315.19476	47.3
316.19934	3.9
329.17398	1.7
333.19431	1.1
359.18466	12.2
366.28415	0.8
375.21432	53.1
376.21695	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	375.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03328	2.2
58.00479	1.0
59.01263	31.0
59.75150	0.6
60.01616	0.7
62.36008	0.6
69.03340	1.7
71.01271	25.7
71.04884	1.3
72.99189	2.1
73.02826	3.6
81.03308	0.7
83.01278	1.0
83.04942	0.7
85.02841	8.1
85.06473	0.9
87.00761	2.1
87.04395	0.8
89.02341	16.8
91.21867	0.6
94.04189	1.0
95.01299	1.8
95.04908	4.5
97.06484	2.3
98.03639	7.3
99.00771	1.6
99.04391	0.7
101.02353	11.0
103.26507	0.6
107.04929	6.0
113.02361	9.5
119.03422	5.9
121.02972	0.6
123.04441	0.7
131.03357	0.8
135.08043	0.8
137.09665	0.9
141.12851	0.8
143.03394	0.9
149.09686	2.9
151.11223	71.8
152.11606	3.3
154.09901	1.7
160.77408	0.6
161.04492	1.8
165.09094	0.6
169.12296	12.7
170.12602	1.3
177.98288	0.7
179.05620	1.2
180.35320	0.7
195.10239	100.0
196.10583	6.0
252.39616	0.7
260.19171	0.5
303.21826	7.1
304.22079	0.8
324.64230	0.6
364.07187	0.6
375.24139	1.0
375.27731	9.6
376.28278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05671	0.3
56.87347	0.3
57.96723	0.3
59.01256	0.6
60.08515	0.4
70.72194	0.7
70.72570	0.7
74.98965	1.7
93.00037	1.3
149.00873	0.8
159.08411	11.8
160.08688	0.5
161.06364	2.9
170.34738	0.4
192.98111	0.6
209.01224	2.2
216.41321	0.4
217.07239	1.0
225.00812	0.5
261.04355	0.3
275.06107	1.1
277.07629	2.6
278.07513	0.4
289.07639	2.2
291.09167	91.1
292.09299	12.1
293.06955	0.4
309.10193	2.1
310.10355	0.5
357.13861	2.3
359.15430	100.0
360.15582	16.6
375.18561	10.1
376.18686	1.8
377.16226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36793	1.9
51.51385	1.7
55.01760	2.4
57.03323	1.9
58.00468	3.6
59.00966	5.1
59.01262	98.3
60.01611	2.0
64.28364	1.9
69.18884	8.7
69.19314	12.0
71.01273	62.2
72.99197	7.9
73.02830	6.9
78.90656	1.8
83.01274	6.0
85.02827	14.9
87.00777	4.1
89.02336	71.7
94.67614	1.9
95.01319	4.8
101.01707	3.4
101.02351	52.7
113.02357	27.1
119.03415	34.9
123.77107	1.9
125.02328	2.9
131.03357	2.9
143.03497	5.5
149.04460	1.9
155.37914	1.8
161.04517	6.5
165.05424	2.4
177.09193	3.1
179.05583	8.1
213.11301	2.1
243.15907	2.4
327.12112	2.7
357.15408	9.1
375.16650	100.0
375.20169	5.2
376.16989	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	375.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.9
57.03334	3.4
58.00473	3.6
59.01266	57.1
63.64583	1.4
69.03368	1.5
71.01270	48.1
71.51598	2.4
72.99186	6.6
73.02831	9.1
83.01273	9.7
85.02840	17.7
85.11726	1.3
87.00765	4.9
89.02341	34.0
95.01295	4.9
99.00774	5.4
101.02351	40.0
111.00755	1.8
113.02357	20.9
119.03416	17.7
128.40344	1.4
143.03448	2.5
150.03221	2.1
161.04498	5.7
177.01970	1.4
177.09142	8.6
179.05568	5.7
195.06647	1.5
212.08427	7.8
212.10164	1.4
241.07304	5.0
241.16495	1.6
255.08939	33.0
256.09326	1.9
283.73172	1.5
335.89056	1.5
357.15695	22.9
374.11636	1.5
375.16672	100.0
376.17242	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1094
Annotation	Fesumtuorin B
Peak:m/z	Relative Intensity
52.32891	0.4
53.30509	0.4
55.01769	0.6
57.03336	4.3
59.01260	5.3
65.03842	2.3
67.01774	1.4
69.33281	2.7
69.33703	1.1
71.01266	1.4
71.04903	2.4
73.02827	0.8
79.05417	0.4
81.03361	0.7
83.01260	2.6
83.04915	9.6
85.02839	32.7
85.06516	0.6
86.03183	0.7
87.04403	1.6
91.05418	0.6
93.03413	0.4
97.02798	0.5
97.06467	1.3
99.04419	0.5
101.02343	1.0
101.05986	12.4
101.06679	0.6
103.03900	1.1
107.04949	0.7
109.02856	3.2
109.06516	2.9
113.02351	0.7
115.07569	0.8
121.02876	0.4
121.06496	2.5
123.04446	0.9
125.06001	0.9
127.03927	15.9
127.07554	2.9
129.01871	0.9
133.02867	5.9
133.06529	2.2
135.04456	1.0
137.02455	0.4
137.06001	0.5
138.03154	0.8
144.45850	0.4
145.08641	15.8
146.08972	0.7
148.01541	0.5
149.06001	1.0
151.07614	2.0
152.04732	0.5
153.05547	1.2
159.04459	0.4
161.02383	57.8
162.02730	2.9
165.05518	2.3
171.06552	2.0
177.05531	10.9
178.05923	1.0
195.06606	28.8
196.06995	1.1
211.06076	0.6
213.07668	77.8
214.08011	4.5
229.04935	0.5
235.06142	0.7
247.06430	0.4
253.07283	0.6
265.07248	1.6
285.20532	0.5
296.67584	0.4
301.20059	0.5
303.21799	6.3
321.96078	0.5
329.23404	1.4
355.08429	0.6
357.26343	0.8
375.10916	100.0
375.27570	33.5
376.11267	10.6
376.27856	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	374.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	57.5
61.98719	100.0
71.01298	4.0
71.16914	2.8
71.51792	3.5
71.52292	3.9
74.02118	3.0
75.30248	2.9
100.19192	3.4
170.50095	2.5
174.99171	10.9
217.00325	56.0
243.33095	3.5
374.24591	16.1
374.99307	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	374.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87163	0.7
51.21628	0.7
59.01258	7.2
61.98717	100.0
70.99703	1.1
93.36130	0.6
130.94180	0.7
174.50963	0.6
174.99176	2.2
183.19157	0.6
217.00313	7.0
232.11028	1.6
232.83463	0.6
374.24591	13.4
374.29431	0.8
375.25214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08588	0.9
59.01264	100.0
61.98716	1.7
71.52386	1.7
81.16039	0.8
81.64928	0.9
88.45769	1.1
96.95903	1.7
99.44418	0.9
123.86893	1.0
174.99156	3.7
216.72211	1.0
217.00319	16.0
246.40735	1.0
248.75749	1.1
314.26956	2.3
374.24799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2605
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.30527	0.2
53.18539	0.2
57.03344	1.9
59.01265	4.7
61.98705	0.3
69.03338	0.7
71.01272	0.3
71.51939	0.4
73.02849	0.5
76.60450	0.2
76.77723	0.2
77.60208	0.2
80.54057	0.2
85.02835	0.3
87.04456	0.3
91.05399	0.3
95.04949	0.3
97.06467	0.3
109.02824	0.3
111.08057	0.7
121.02786	0.3
123.08085	0.8
125.02350	1.0
125.09656	2.9
126.02629	0.3
127.11220	2.0
129.66037	0.2
135.04466	1.1
137.09669	1.6
141.09106	0.7
141.10126	0.2
143.10707	0.4
151.03975	0.3
153.09210	0.5
153.12794	0.5
155.10707	1.8
169.12262	0.3
171.10226	8.8
172.10532	0.5
183.13937	0.3
184.75395	0.2
199.13365	0.3
200.10475	0.5
201.14944	0.6
229.14433	0.6
230.15230	0.8
235.06198	0.3
243.15929	0.3
250.53983	0.2
257.15472	0.3
295.22687	0.3
327.21802	0.6
329.13879	0.4
343.24994	0.4
355.24875	2.0
371.24435	1.3
373.13507	1.5
373.26010	100.0
374.26358	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	373.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93134	0.6
59.01258	14.9
61.98718	1.1
69.64578	2.3
69.64986	1.9
71.01279	1.0
80.02569	0.7
80.42054	0.7
81.03442	0.6
86.43779	0.6
93.03359	2.9
103.31268	0.9
119.04936	0.9
148.08893	0.8
150.10428	1.1
151.11154	0.8
163.11255	1.5
165.12791	22.4
165.14119	1.4
166.13113	1.1
174.03233	0.7
175.11215	0.8
177.12952	0.6
220.65898	0.6
244.10872	4.6
247.20688	13.0
248.21037	0.9
273.18655	7.0
291.19724	100.0
292.20016	10.6
313.17941	15.7
314.18237	2.0
355.89438	0.7
373.15414	1.0
373.20020	18.2
374.20236	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	373.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82693	0.9
55.23901	1.0
57.03319	3.0
59.01265	20.0
60.10695	0.8
64.96653	0.8
65.07253	0.7
65.76848	0.9
66.21426	0.8
69.03355	0.9
71.43389	1.4
81.30479	1.1
85.07047	0.9
93.03385	1.1
93.06951	1.0
96.95914	16.8
97.06472	1.9
102.64326	0.9
121.10150	16.5
123.08093	2.1
125.09644	7.2
141.12573	0.9
185.11775	14.0
197.11824	2.4
207.09985	3.6
209.11829	1.1
211.13443	2.1
245.19144	7.2
273.18863	1.3
291.16388	2.2
291.19717	62.1
292.20020	6.6
313.17914	100.0
314.18213	11.5
315.45789	0.9
373.17023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.9
58.00465	1.5
59.01265	12.5
64.05270	0.6
69.03320	1.0
69.85091	0.6
71.01266	4.9
71.04916	0.7
72.99198	0.9
73.02822	1.1
83.04907	2.3
84.02049	2.5
85.02838	2.3
87.00765	0.7
89.02324	1.8
91.94945	0.7
97.06484	2.2
107.04939	0.8
109.06510	0.9
111.04433	3.4
111.08044	0.7
113.02320	1.2
113.09614	1.2
120.05714	0.8
121.02869	0.7
121.06495	2.0
123.04435	2.5
123.08096	1.0
125.02341	7.5
125.09632	2.1
127.07579	1.0
131.66559	0.6
135.04417	3.5
135.08076	1.8
135.11693	1.9
136.05229	8.3
136.17809	0.7
137.09633	2.1
147.02972	0.7
147.11725	1.9
149.02397	0.7
149.06027	1.0
149.09639	2.9
149.13313	0.8
150.06815	0.6
151.03935	0.9
151.11189	0.8
152.04718	4.5
153.01860	5.5
153.09125	1.8
153.12776	2.2
155.10677	0.9
159.11661	0.7
163.11177	3.7
165.05487	0.7
165.12798	13.4
166.13118	0.7
168.04224	2.6
175.11249	11.4
176.11661	0.6
177.09100	0.7
177.12827	3.5
178.09937	3.2
179.10732	28.2
180.11041	1.9
181.12300	2.3
182.05740	0.8
182.61801	0.7
191.10880	1.3
193.08665	1.7
193.12317	66.6
194.12700	4.9
197.11729	1.7
203.10812	1.2
205.12346	2.2
209.11809	8.6
213.16557	0.6
219.13931	0.9
221.11850	9.1
222.12099	0.9
231.10289	3.0
231.74275	0.7
233.11841	1.2
237.11336	100.0
238.11676	7.4
249.11400	3.0
257.80920	0.7
277.10828	1.8
283.19153	1.0
309.13370	1.2
327.14557	34.2
328.14859	3.0
337.13025	6.1
355.14056	38.3
356.14249	3.3
373.15112	51.1
373.25970	2.9
374.15430	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0938
Annotation	6-(3''-Oxobutyl)taxifolin
Peak:m/z	Relative Intensity
57.03330	1.3
59.01264	5.6
67.01778	0.6
70.66694	0.3
71.00002	0.6
71.01272	1.1
73.02827	0.4
79.01792	0.6
85.02832	2.5
87.00778	0.4
89.02343	0.6
91.01788	1.3
93.03366	0.5
97.06512	0.8
97.44058	0.3
101.02333	0.6
102.43041	0.3
103.01802	0.3
103.03930	0.4
107.04922	0.4
108.02109	0.5
109.02863	2.3
111.04443	0.5
113.02367	0.5
118.69607	0.3
119.04965	0.7
121.02837	0.8
123.04427	1.3
123.08082	0.7
126.28089	0.3
133.02890	3.6
133.06543	0.3
135.04475	2.5
141.05496	0.4
141.09122	0.3
143.10802	0.4
147.04472	1.8
148.01575	0.9
149.02368	3.6
149.06041	0.3
151.03964	0.6
153.05530	0.5
157.02914	0.4
159.04465	0.8
159.48920	0.4
161.02379	1.0
163.03975	1.0
165.05542	0.3
171.06572	0.7
172.05180	0.4
175.03940	2.1
177.01970	1.1
177.05539	1.4
177.49904	0.3
179.07251	0.3
185.06012	0.4
187.07379	0.3
189.05682	0.5
191.03473	1.9
195.06651	0.5
201.01917	2.6
202.02379	0.4
203.03488	1.6
213.05525	2.4
213.09250	0.4
215.03464	0.4
215.07130	0.4
216.04161	0.5
221.04482	1.8
224.04822	0.3
225.05577	1.0
225.09254	0.4
237.09317	0.4
238.06253	0.3
241.08730	0.8
243.06636	1.0
251.07196	0.4
253.05008	0.4
253.08722	0.4
254.05904	0.8
257.08261	0.5
261.07712	0.8
263.07190	0.4
267.06525	0.4
269.04984	0.3
269.08081	0.7
279.06644	0.4
281.04831	0.5
281.08292	1.0
285.07678	0.6
297.07632	0.5
299.09302	1.2
301.20233	0.4
311.05737	0.4
312.06036	0.8
313.07266	3.1
325.07242	9.6
326.07550	1.1
327.08752	0.3
337.07251	7.2
338.07635	0.7
343.08249	4.8
355.08319	16.4
356.08807	2.0
371.08011	1.0
373.09357	100.0
373.26044	7.3
374.09708	11.2
374.26355	0.3
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	7.0
61.98717	100.0
69.17387	7.9
69.17819	8.7
73.22321	1.5
77.71124	1.4
79.54643	1.5
80.89977	1.4
121.37386	1.4
239.57019	1.5
266.43060	1.7
269.21329	2.5
343.90308	1.6
364.68082	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	372.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.9
61.98717	100.0
68.89736	0.5
71.52087	0.6
71.52479	0.7
78.49720	0.4
83.15788	0.5
87.00832	0.5
152.46199	0.5
187.09764	0.5
309.20892	2.2
341.87015	0.5
358.76450	0.5
369.11664	0.5
369.82773	0.7
373.12640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0937
Annotation	Arteanoflavone
Peak:m/z	Relative Intensity
52.51877	0.6
53.00214	0.6
59.01264	5.6
59.94648	0.6
71.01247	1.4
71.56673	0.9
72.46423	0.5
73.02834	0.6
82.38100	0.6
83.01318	0.6
87.84759	0.7
93.03381	0.8
98.53636	0.7
101.02338	0.7
109.02840	3.6
123.04421	0.7
125.02332	0.9
133.02892	1.1
135.04446	1.1
137.02383	1.1
147.00824	0.9
148.01570	1.3
149.02336	1.8
151.03951	0.7
153.01894	0.6
153.19377	0.7
161.02371	0.8
169.85873	0.7
176.01117	1.6
177.01874	1.4
179.03363	0.6
185.06047	1.5
197.06155	1.4
202.99817	1.8
204.00554	1.3
208.92546	0.7
211.13365	2.6
213.05545	3.1
225.05579	2.0
229.05052	2.0
240.04230	1.2
241.05116	6.4
257.04568	3.9
262.05298	0.6
267.03073	1.7
268.03537	0.8
269.04581	9.7
270.01767	0.8
270.05026	0.9
282.05096	0.9
283.06207	1.5
284.06851	1.2
285.04129	13.1
286.04620	0.9
296.03549	1.0
297.04089	1.8
298.01288	3.4
298.04300	0.9
299.05518	0.9
311.02319	0.9
311.05829	0.8
312.02872	1.2
313.03604	17.7
314.04019	1.8
325.03580	1.7
326.04370	3.2
327.05188	2.2
328.05954	52.5
329.06290	5.4
340.05981	6.5
341.06717	11.1
342.07114	1.1
343.04593	1.9
355.08279	1.5
358.07004	26.0
359.07315	2.5
360.04929	8.2
361.05374	1.3
373.09335	100.0
373.25854	6.7
374.09625	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	372.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.9
61.98718	100.0
62.10980	0.9
71.40589	1.0
71.51060	1.1
71.51456	1.2
76.33631	0.8
87.93164	0.8
100.95140	0.9
111.00749	0.9
147.10728	1.1
210.10547	1.0
234.88351	0.9
352.39255	0.8
372.58432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1505
Annotation	Vermixocin A
Peak:m/z	Relative Intensity
51.13591	0.5
52.91443	0.5
57.03326	3.0
59.01263	5.3
62.05102	0.6
65.03851	2.0
69.22049	6.1
69.39154	0.6
71.01282	1.0
73.02831	0.6
73.99648	0.6
80.02650	0.5
82.51488	0.5
83.01280	5.1
85.02848	0.8
91.05428	8.8
92.05743	0.6
93.03365	2.0
95.04943	0.8
97.06522	0.8
101.02329	0.7
101.17876	0.5
107.04939	0.8
108.02096	0.7
109.02863	22.3
110.03168	0.6
113.02328	0.6
121.02074	1.0
121.02874	11.2
123.04432	9.2
124.01580	1.2
125.02364	13.4
133.02864	2.6
134.03647	1.3
135.04446	80.1
136.01598	0.7
136.04764	3.8
137.02367	5.7
138.03148	3.6
145.02916	0.8
147.04433	4.2
149.02357	2.9
149.05980	2.8
150.03178	19.0
151.00299	0.7
151.03946	22.2
151.07376	0.5
152.01118	1.2
152.04738	34.8
153.01854	1.4
153.05128	1.5
159.04472	0.9
161.02391	3.4
163.03943	6.6
164.04736	28.3
165.01900	2.3
165.05469	2.8
166.02681	3.5
167.03468	2.0
171.10246	0.7
175.03979	5.4
176.04742	2.5
177.05530	8.1
178.02710	0.9
179.03351	0.8
179.07086	6.1
181.69170	0.6
189.05640	0.6
191.07166	1.6
205.05109	0.8
205.99365	0.7
209.08231	1.8
216.07962	1.0
223.07713	0.9
223.09735	0.8
225.09088	0.8
231.06685	1.2
239.07205	0.8
241.08885	1.0
245.08286	5.6
249.11343	10.2
250.11671	0.9
261.11465	0.7
267.06699	2.4
268.07443	1.2
269.08319	3.7
270.05228	1.1
271.06219	3.4
283.05878	0.6
285.07733	9.9
286.08536	18.7
286.11584	1.2
287.08975	2.1
295.06122	0.9
299.05707	2.6
300.09937	0.7
301.10880	9.7
302.11295	1.1
323.05682	0.6
341.23358	0.8
353.10382	3.9
353.14096	0.8
356.12418	1.2
371.11322	7.9
371.15134	100.0
371.24374	9.0
372.11664	1.2
372.15494	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	371.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.1
57.19577	1.4
59.01260	16.2
61.98708	2.5
65.03841	4.5
71.01261	3.0
74.02370	2.3
74.21024	1.5
79.63754	1.5
83.01274	4.0
89.02335	2.3
91.05428	16.1
93.03340	4.5
95.04919	1.7
97.04017	1.9
101.02328	2.7
107.04861	1.7
108.02079	4.1
109.02853	55.9
121.02881	14.8
123.04431	4.1
132.57082	1.6
133.02881	28.9
134.03607	2.0
135.04451	100.0
136.04808	4.7
137.02344	2.3
147.04478	12.1
149.02357	2.9
149.06058	3.0
150.03194	2.5
153.01929	2.5
158.03700	7.1
159.04514	2.1
161.02409	5.1
161.05974	1.8
163.00305	3.9
165.05537	3.3
171.04472	5.3
172.05167	2.4
173.06056	14.6
174.06433	1.9
175.03957	2.6
185.06065	4.2
187.03973	2.0
187.07629	46.4
188.07986	2.0
189.05548	9.5
190.06227	2.0
191.07100	3.2
197.06024	2.4
199.07620	3.3
202.06299	2.1
203.07135	1.8
209.08153	4.6
217.08611	2.0
219.10249	67.0
220.10619	4.3
223.07745	2.2
231.10373	3.3
249.11357	3.1
263.07162	1.8
267.06631	5.1
271.09753	5.1
279.06668	10.9
280.07285	4.4
281.08237	2.0
286.08456	3.4
293.18698	4.3
295.09738	10.4
297.07632	2.2
298.04865	1.8
311.13422	1.5
313.11026	3.1
319.09982	1.6
320.10660	2.3
321.11316	5.0
323.09247	2.1
325.17737	1.6
335.12955	6.1
337.17722	12.5
338.11667	26.5
339.12045	3.3
353.09702	2.9
353.14011	46.1
354.14288	6.2
356.12756	3.0
371.07498	3.2
371.11172	7.4
371.15186	19.6
371.19498	3.6
371.24457	5.8
371.28522	2.5
372.11612	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71591	0.8
57.03347	5.1
57.64172	0.8
59.01264	12.1
61.98714	1.1
65.03837	3.6
67.01781	1.2
71.01272	1.6
72.26558	0.8
81.03368	1.2
82.66499	0.9
83.01276	6.8
83.35701	0.9
91.05431	14.6
93.03336	3.3
93.06984	4.2
95.04925	4.6
97.06481	2.8
101.02328	1.4
107.04951	1.8
108.02062	2.7
108.06648	0.9
109.02863	39.6
109.03614	1.9
110.03178	1.7
111.08058	6.6
121.02863	14.0
123.04475	1.3
123.08041	6.2
124.01594	11.5
125.02378	6.7
125.06007	2.5
131.62350	0.8
133.02875	8.8
135.04449	100.0
135.08058	9.4
136.04764	3.8
137.02328	2.8
137.06000	2.5
141.09108	4.6
145.06573	1.1
147.04457	4.3
147.08096	1.7
148.01645	2.1
149.02380	2.8
149.06026	3.1
150.03133	2.5
151.03903	1.1
157.06496	3.9
159.04503	4.8
160.05161	1.3
161.02396	68.9
162.02728	4.6
163.03952	5.9
164.04732	5.2
165.01898	0.9
165.05534	1.7
165.09169	1.6
167.07135	5.0
173.05991	2.5
175.03981	7.5
175.07591	2.9
176.04700	4.7
176.11479	1.0
176.81906	1.0
177.05498	2.4
179.03493	1.5
179.07112	30.8
180.07455	1.5
185.06067	1.1
187.03929	2.2
187.07513	1.5
188.04797	2.2
189.05505	3.9
190.06306	1.3
191.07069	8.7
201.05495	3.8
202.06255	1.9
203.07091	2.6
204.07869	4.1
205.08611	2.2
205.49294	0.9
207.06595	3.9
209.08186	65.5
210.08522	5.5
211.04108	1.0
213.05557	1.6
215.07086	2.0
216.07898	8.8
217.08566	2.1
217.80301	0.9
219.06607	3.7
220.07272	1.3
221.08113	1.6
222.08882	4.9
223.09488	1.1
225.05275	1.1
229.08759	2.4
231.10260	11.9
232.10548	0.9
234.08986	7.8
239.07118	1.4
245.08342	1.3
249.11249	4.0
253.04982	1.1
255.06650	2.3
269.04532	1.7
269.08197	0.9
281.08188	4.8
282.05322	1.5
283.06061	3.2
291.10086	1.1
295.06171	2.9
297.07697	6.0
297.11304	11.5
298.08493	4.2
298.11472	1.6
299.09116	1.0
313.10873	27.6
314.11066	2.1
323.09369	1.6
323.44794	0.9
338.11642	8.9
339.12027	1.2
341.10257	1.5
353.14023	79.2
354.14261	9.6
356.12689	3.4
357.90027	0.9
371.11328	75.5
371.15155	8.8
371.23999	4.8
371.28314	1.5
372.11707	8.8
372.15558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01263	100.0
60.01598	0.6
61.98731	0.8
69.25800	0.4
70.17249	1.0
70.17649	0.8
71.01279	1.8
72.99216	0.6
73.02829	0.8
75.00783	0.6
83.01269	2.2
84.95929	0.4
85.02839	1.1
101.02349	0.7
113.02367	0.6
121.02902	0.4
125.02390	0.5
149.02493	0.5
161.02359	0.5
161.04495	0.6
167.03505	1.9
168.12016	0.5
179.03488	1.5
194.05887	1.0
209.08192	0.9
228.47929	0.4
269.10583	0.8
371.09784	0.6
371.13705	0.8
371.17538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99636	0.3
54.98072	0.2
57.03334	0.3
59.01264	100.0
60.01598	1.0
67.15586	0.2
69.50777	2.1
71.01285	1.1
83.01283	1.9
85.02869	0.6
89.02357	0.5
93.53426	0.2
101.02371	0.7
113.02402	0.5
119.03379	0.4
120.96665	0.3
125.02402	0.5
153.98793	0.3
167.03426	2.1
294.08664	0.3
335.94189	0.3
362.29858	0.3
371.09485	0.5
371.13727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01611	1.7
63.43579	0.3
71.46631	0.6
199.54869	0.3
269.10397	0.3
354.92050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1504
Annotation	Vermixocin A
Peak:m/z	Relative Intensity
54.40617	0.5
57.03343	5.2
57.49372	0.5
59.01265	5.9
60.06464	0.5
61.38877	0.5
65.03839	1.6
69.26098	5.1
71.01274	0.9
73.02829	0.6
79.53632	0.5
81.03329	0.8
82.59647	0.5
83.01268	6.1
91.05424	11.3
93.03352	3.0
95.48022	0.5
97.02856	0.7
101.02349	0.9
101.89159	0.5
108.02077	1.3
109.02866	21.6
110.03193	0.7
119.04956	0.8
121.02870	11.9
121.03690	1.0
123.04433	8.9
124.04745	0.7
125.02368	20.8
125.09554	0.6
133.02916	3.1
134.03726	0.7
135.04451	85.3
136.04730	3.2
137.02371	4.4
138.03151	3.2
139.03969	0.7
143.28981	0.5
147.04454	5.1
149.02380	2.9
149.06029	2.1
150.01961	1.0
150.03163	18.6
151.00352	0.8
151.03949	21.9
152.01120	1.1
152.04738	34.3
153.01888	1.0
153.05182	1.6
159.04469	1.3
161.02411	2.1
161.06055	0.8
162.03197	0.6
162.74561	0.5
163.03952	6.9
164.04741	25.6
165.01888	1.9
165.05444	3.0
166.02701	3.3
166.06181	0.6
167.03397	1.8
175.03937	6.7
176.04721	2.6
177.01900	1.2
177.05530	7.2
178.02693	1.4
179.03458	1.2
179.07079	5.8
191.07169	1.4
191.10652	0.5
199.07646	0.9
201.05396	0.5
202.06364	0.5
203.07173	0.8
205.05128	0.7
209.08186	1.5
212.05049	0.5
215.07155	1.0
216.07948	0.7
217.91505	0.5
223.09810	0.8
225.05655	0.7
226.06555	0.5
231.06725	1.3
234.08978	1.5
238.00523	0.6
239.07166	1.0
241.08780	1.3
245.08252	6.7
246.08743	0.7
249.11339	11.2
250.11836	0.9
253.05060	0.6
267.06662	2.2
268.07568	1.9
269.04507	0.4
269.05502	0.5
269.08176	3.2
270.08768	0.8
271.06009	2.5
283.09766	0.8
285.07733	9.1
286.08505	18.8
287.08920	2.0
295.06293	0.8
297.07864	0.6
299.05765	2.0
299.12854	1.2
301.10886	10.8
302.11215	0.6
318.07547	0.9
353.10397	3.5
353.14023	1.0
356.12732	2.0
371.11285	10.6
371.15155	100.0
371.24310	3.7
372.11755	1.3
372.15503	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	371.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.9
59.01261	17.8
59.50912	0.6
60.73846	0.6
67.01783	1.3
68.99707	2.1
69.03353	1.6
71.01270	18.0
71.50854	1.1
71.55625	0.5
71.99117	0.6
72.99204	5.9
73.02837	2.7
75.00764	19.1
81.03322	2.9
83.01260	3.7
83.04910	0.9
85.02842	18.1
87.00774	5.9
89.02334	5.0
93.03368	1.5
93.73152	0.7
95.01299	4.6
95.04843	0.6
97.02837	0.7
99.00772	10.8
101.02311	0.8
103.00276	2.3
111.00799	1.3
111.04389	0.6
113.02360	26.4
115.00297	1.9
117.01829	3.3
119.04962	1.5
121.02872	100.0
122.03201	4.1
123.04436	12.7
124.04809	0.9
125.02404	3.0
129.01874	1.6
140.89952	0.7
146.81058	0.7
149.06053	0.9
151.00365	0.9
157.01326	0.8
167.03448	42.0
168.03752	1.7
175.02435	4.0
177.82710	0.6
209.08099	0.7
231.05118	6.7
249.06195	76.8
250.06587	3.3
251.75150	0.6
353.08704	1.6
371.09894	75.5
372.10367	7.1
392.97263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1145
Annotation	Naphthgeranin C
Peak:m/z	Relative Intensity
52.31171	0.8
56.86606	0.7
57.03134	0.7
57.03333	7.4
59.00809	0.8
59.01258	10.7
59.87469	0.7
65.03840	1.9
66.05907	1.1
68.99696	0.8
69.03361	0.9
69.23647	7.9
71.01259	2.1
71.04900	1.4
71.12936	1.0
79.52362	0.7
81.03332	2.7
83.01279	6.5
91.05427	12.9
93.03340	3.3
93.06992	5.2
95.04918	6.8
97.06497	3.8
98.20589	1.8
101.02386	1.2
105.06984	2.3
107.04941	3.0
108.02047	1.6
109.02856	37.0
111.00775	1.5
111.08076	7.4
121.02858	11.5
123.04443	2.4
123.08073	13.0
124.00778	1.5
124.01586	15.6
124.08457	0.9
125.02364	9.5
125.06010	3.8
133.02873	11.3
134.03651	0.7
135.04448	88.2
135.08080	14.3
136.01515	0.9
136.04768	3.9
136.08371	0.9
137.02359	2.9
137.06020	4.4
141.09137	6.2
145.06444	1.0
147.04442	3.7
147.08044	2.5
148.01582	2.3
149.02344	3.6
149.06017	3.5
150.03157	3.2
151.03984	1.5
157.06528	3.7
159.04428	4.4
160.05144	0.9
161.02394	92.3
162.02849	4.2
163.03963	6.2
164.01050	1.1
164.04733	5.0
165.05463	2.0
165.09091	2.5
167.03473	0.9
167.07098	6.8
171.73061	0.9
173.06007	1.5
174.03148	1.7
175.03987	6.0
175.07561	2.6
176.04741	4.0
177.05537	4.1
179.03534	1.9
179.07098	44.0
180.07426	2.4
187.03973	1.4
188.04782	1.1
189.05508	3.3
190.06223	1.0
191.07089	8.7
201.05537	3.3
202.06332	1.7
203.07104	3.0
204.07912	3.8
205.08522	1.3
207.06497	3.0
209.08177	92.7
210.08566	4.5
215.07118	1.8
216.07921	8.1
217.08546	1.7
219.06595	2.2
220.07416	1.2
221.08180	2.1
222.08955	4.0
227.07201	1.3
229.08627	1.9
231.10335	8.7
234.08943	7.7
239.07161	1.2
245.08185	1.6
249.11345	6.0
255.06747	1.5
261.07755	1.7
268.03766	1.5
269.04611	1.4
269.08139	1.0
281.08194	3.0
282.05276	1.0
283.06046	5.0
284.06741	1.2
295.06143	2.1
295.09665	1.2
297.07739	8.0
297.11331	7.3
298.08429	3.4
298.11456	0.9
313.07202	1.6
313.10864	31.5
314.11182	3.0
321.11221	1.0
323.09262	1.1
327.12408	2.0
338.11606	5.9
341.10297	2.6
353.10385	4.0
353.14011	75.7
354.14304	10.2
356.12683	2.1
371.11362	100.0
371.14914	7.0
371.24442	6.0
372.11765	12.3
372.15747	1.0
385.32111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0779
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01259	2.6
61.98717	7.8
68.04111	0.2
69.79609	1.4
71.01283	0.4
77.03856	0.3
81.61846	0.2
93.03368	0.6
97.29179	0.2
109.02856	0.3
112.15192	0.2
116.25903	0.3
121.02868	100.0
122.03205	4.2
135.04427	0.4
149.02364	0.7
179.03455	10.5
180.03824	0.5
181.06541	0.3
191.49815	0.2
210.93372	0.2
221.08170	0.3
225.05542	0.8
230.44980	0.3
239.07256	0.3
298.08545	0.3
332.94156	0.2
371.07770	15.0
371.24014	0.5
371.28394	0.4
372.08081	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	371.0782
Annotation	Grewin
Peak:m/z	Relative Intensity
59.01266	10.9
67.01784	1.2
71.01264	1.7
73.02845	1.2
78.51036	0.8
79.01803	1.0
83.01274	4.9
87.00732	0.9
93.03378	1.2
97.06539	1.0
101.02343	1.7
109.02820	0.9
113.02379	0.9
119.04929	2.1
121.02861	1.1
123.04427	0.9
125.02439	0.9
132.02161	0.8
133.02879	7.6
135.04430	4.7
147.04486	0.9
159.03061	0.8
161.02547	0.9
175.04086	0.9
187.04008	1.1
197.02829	1.1
215.03677	0.9
216.04309	0.8
221.09686	1.3
223.07689	1.3
237.05600	1.7
238.06285	0.8
240.22255	0.7
249.05467	0.9
250.06433	1.4
251.31511	0.8
252.07964	1.3
253.08755	2.7
265.08725	1.8
279.06595	0.9
293.04501	0.8
295.06070	1.2
297.07755	39.9
298.08109	3.1
309.07748	78.2
310.08057	7.0
325.07162	3.7
327.08810	100.0
328.09155	10.2
350.74179	0.8
353.06757	1.1
371.07773	54.6
371.11392	2.5
371.15448	2.3
371.19617	1.3
371.24316	10.4
372.08038	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	370.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09091	0.5
59.01270	2.9
59.24739	0.6
61.98718	100.0
69.80088	2.5
75.86461	0.5
121.02853	5.9
179.03601	0.7
200.74614	0.6
217.05243	0.7
218.05434	0.7
229.94806	0.6
281.84247	0.6
324.09616	3.5
329.65500	0.6
352.09094	5.5
352.12753	0.6
370.10107	7.9
371.10953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1713
Annotation	Macquarimicin C
Peak:m/z	Relative Intensity
53.29064	0.5
56.06781	0.6
57.03283	0.6
59.01266	4.9
61.98712	0.6
63.98428	0.5
65.03860	0.7
66.00642	0.5
69.03344	0.5
71.01260	0.9
79.05415	0.8
79.34908	0.5
83.01256	0.7
85.02847	0.8
91.05421	1.5
91.96230	0.6
93.03362	0.9
98.20567	1.4
104.10541	0.5
105.07015	2.6
107.04925	1.8
108.02081	1.8
109.02859	3.6
109.06466	0.6
109.27654	0.5
111.04427	0.7
117.07050	1.0
119.04950	0.7
121.02869	10.8
122.03654	6.8
123.04452	4.9
133.02872	2.6
133.06535	0.6
134.03687	6.8
135.04442	17.8
135.08038	1.1
136.05281	1.2
137.02374	0.7
137.06039	0.7
146.03670	1.1
147.04449	15.3
148.05229	5.2
149.02362	1.1
149.06023	12.7
153.05513	11.7
159.04460	1.9
160.05183	1.8
161.06020	18.8
161.09683	1.0
162.06827	8.7
164.92615	0.5
165.05511	17.2
166.05826	0.9
167.07072	0.7
173.06038	5.3
174.06706	1.2
175.07567	1.7
176.08388	1.0
177.05592	1.2
177.09174	12.1
178.09523	0.9
179.07100	38.2
180.07422	2.2
189.05598	0.8
189.09178	12.3
189.10811	1.0
190.09499	1.0
191.07112	6.4
192.07794	0.9
193.04987	0.6
201.09161	1.3
203.10753	34.7
204.11102	2.1
215.10767	4.7
216.11377	0.6
227.03441	0.7
241.12262	1.2
255.06682	1.6
267.06625	0.7
269.08347	0.7
270.08969	2.1
283.06326	0.7
284.06970	1.1
300.10089	0.6
323.09369	2.1
351.08746	2.4
351.16107	2.1
354.11002	1.2
369.10309	5.1
369.17136	100.0
370.10031	0.9
370.17511	12.8
390.73718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1712
Annotation	Kanzonol R
Peak:m/z	Relative Intensity
59.01262	3.9
71.52767	0.6
71.53680	0.9
85.02812	1.1
89.02374	0.6
93.03365	0.9
109.02859	1.1
111.00759	2.6
121.02870	4.5
122.03683	3.4
123.00806	4.6
123.04416	1.2
124.01581	10.1
128.01125	0.6
132.30949	0.5
133.02896	0.7
134.03671	7.4
135.04408	1.3
137.02376	10.7
139.03941	3.7
146.73077	0.6
147.04396	1.2
149.02382	39.2
150.03188	24.1
151.03963	6.6
161.02431	0.7
163.03944	5.0
165.05530	8.0
169.15181	0.6
177.09128	1.7
189.09180	38.0
190.09523	2.2
215.10739	2.1
217.12300	2.0
219.74095	0.6
236.10490	1.3
269.04587	1.0
270.05444	1.7
281.04849	0.6
285.07919	0.7
295.13602	0.6
307.26535	1.3
309.24390	0.7
311.12900	1.7
321.11319	0.9
322.11917	0.7
322.98468	0.7
324.10156	2.1
337.14694	0.8
339.12473	7.9
340.12759	0.9
351.25583	1.3
354.14804	100.0
355.15164	10.6
369.17075	17.1
369.26620	2.3
369.30551	1.4
370.17389	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	369.171
Annotation	Malabaricone D
Peak:m/z	Relative Intensity
57.15645	0.4
57.19175	0.5
59.00994	0.4
59.01257	3.2
64.25361	0.4
65.03846	2.5
65.59068	0.5
67.01778	0.9
70.02009	2.4
75.00732	1.3
82.92915	0.5
91.05426	10.8
92.05750	0.6
93.03355	2.8
99.57935	0.6
108.02078	2.9
109.02856	35.7
110.03185	1.2
119.99422	0.5
121.02859	12.4
124.01586	1.6
133.02902	2.7
135.04440	100.0
136.04779	3.3
137.02356	1.8
147.04451	4.6
149.02380	1.2
149.06018	1.0
160.01619	1.2
161.02388	12.6
161.73422	0.5
162.02919	1.0
173.06062	1.1
175.03964	2.1
175.07608	1.1
177.09169	1.3
187.04019	0.8
188.04753	0.5
189.05554	1.6
189.09201	1.1
190.06390	0.8
191.07101	3.7
192.07889	2.0
201.09222	0.9
202.06277	0.9
203.07112	1.9
204.07930	0.8
205.08670	27.8
206.09229	2.2
207.06557	0.7
207.10255	3.8
213.09258	0.5
214.00275	0.5
217.08672	17.4
218.09041	1.4
219.06618	0.6
219.10289	0.6
220.11006	1.3
221.11757	1.8
226.06343	0.9
229.04501	0.5
229.08691	2.5
230.09308	1.0
232.11041	8.0
234.09030	0.8
247.13400	9.0
248.13835	0.6
252.09987	3.3
253.05095	1.1
267.06821	0.6
269.04562	1.4
269.11908	1.3
270.05389	6.8
275.20099	0.6
279.06693	1.3
284.07040	2.8
285.07501	1.5
295.06177	0.9
295.13562	1.4
295.22794	1.1
296.07104	1.0
311.09259	1.0
311.12668	1.0
321.11438	3.1
322.12027	1.1
323.12820	4.1
324.10043	1.8
336.13699	0.8
338.11606	0.7
339.12418	32.8
340.12662	3.2
353.13962	1.5
354.14755	14.7
355.15143	1.7
369.17136	99.8
370.17520	12.0
387.68878	0.6
390.67957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.12
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
51.48169	0.6
55.01760	0.6
58.28838	0.5
59.01261	4.7
64.63054	0.5
68.99702	11.8
71.01270	3.8
71.39956	0.8
71.40273	0.7
73.02832	4.2
83.01321	0.6
85.02836	1.8
87.00773	17.4
93.03360	3.3
95.04898	0.9
97.06488	20.3
98.06809	0.8
99.00774	38.8
100.01085	0.8
101.02338	3.2
103.05494	0.9
105.03339	0.8
107.04930	8.5
108.02046	1.0
111.04424	1.6
112.05209	6.7
113.02360	1.9
117.01852	1.0
119.04910	1.5
121.02869	67.5
122.03722	10.5
123.04461	3.2
130.99802	1.5
135.04422	3.1
137.02382	3.3
139.03938	1.6
142.71596	0.5
146.03578	1.1
147.04451	20.4
147.05608	1.1
148.01549	0.7
148.05273	4.3
149.02364	2.0
149.06029	2.6
159.02986	0.6
161.02382	0.7
161.04492	2.8
163.03963	13.4
164.04733	6.1
165.05536	3.7
175.07614	1.5
189.94246	0.5
191.03473	7.0
192.04253	5.0
193.04948	4.2
194.02155	0.8
201.09187	3.1
207.02820	0.6
217.08618	0.8
219.10197	2.6
254.04279	1.4
261.11307	1.9
269.04553	0.7
269.10278	4.2
289.10971	1.3
291.08823	1.8
307.11978	1.2
309.09857	11.3
330.91321	0.6
351.10907	6.5
352.11316	1.4
369.11978	100.0
370.12299	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	369.135
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
54.23146	0.6
57.54705	0.8
59.01264	5.7
65.03867	0.9
71.58504	1.3
75.00760	1.3
75.18203	0.8
83.01284	0.8
91.05450	1.2
101.02371	0.7
108.02081	0.9
109.02863	9.1
121.02890	6.8
123.04446	2.2
124.01594	19.6
125.01802	0.8
133.02873	14.0
135.04454	5.8
137.02376	21.9
138.03178	11.7
139.03943	4.5
149.02376	13.1
149.06096	0.9
151.03952	1.4
153.17680	0.7
156.64330	0.7
161.02388	100.0
162.02762	4.2
163.03983	0.8
167.45592	0.7
177.05544	6.2
184.61551	0.7
191.07089	1.7
191.55566	0.7
192.07896	19.9
193.08307	0.8
201.01970	0.8
207.10249	71.0
208.10620	3.1
217.08740	1.2
247.09731	2.5
259.09625	0.7
264.06216	0.9
277.18088	0.9
295.22845	1.5
307.26764	0.9
325.27621	1.2
332.29639	0.8
339.12537	1.3
369.13440	35.1
369.17114	3.1
369.26907	4.1
370.13632	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	369.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.4
57.95859	0.2
59.01259	1.8
61.98713	0.3
63.54401	0.2
65.00212	2.7
67.41680	0.2
68.99679	0.4
70.67934	0.5
72.17039	0.2
79.05395	0.3
85.02827	0.3
87.00784	0.4
89.03866	0.3
91.01759	0.3
91.05402	0.5
93.03326	0.3
95.04913	1.0
97.02828	0.4
97.06480	0.3
105.07008	0.6
107.04910	0.6
108.02127	1.1
109.02897	1.2
113.02267	0.3
119.04291	0.3
119.04950	2.5
121.02863	1.7
121.06489	0.6
123.00769	0.3
123.04424	0.5
123.08084	0.6
125.02343	0.3
125.05999	1.2
131.04901	0.5
133.02884	4.6
135.00774	0.4
135.04431	1.5
136.01570	1.0
137.05231	0.2
137.06020	2.9
143.04985	0.5
145.02948	0.3
145.06529	0.4
146.03621	0.3
147.00801	0.4
147.04427	0.7
147.08127	0.3
148.01582	1.4
149.02361	2.9
149.06024	3.6
151.03925	0.7
157.02882	0.4
159.04445	0.3
161.02371	0.8
161.05992	1.8
163.00284	0.9
163.03932	0.5
164.01059	0.4
167.07094	2.7
171.04396	0.3
173.02432	0.5
173.06018	1.7
174.03142	0.5
175.00331	0.8
175.03969	3.8
176.01068	1.0
176.04512	0.4
177.01854	0.7
177.05498	0.3
183.04344	0.3
189.01889	0.4
189.05531	0.7
191.07167	1.4
193.05037	0.5
195.04541	0.3
198.03253	0.6
199.03990	3.8
199.07655	0.2
200.04361	0.3
201.01904	4.0
201.05753	0.2
203.03464	0.4
203.07104	0.5
204.04086	0.3
205.05046	3.7
207.06476	0.3
212.04744	0.4
216.04266	1.0
217.05028	0.9
223.03966	0.4
225.05553	0.6
226.06390	0.4
233.08110	0.2
235.06114	3.6
239.03514	0.3
240.04305	2.8
241.05116	0.4
243.03006	0.6
247.09615	0.2
251.10751	0.3
253.05176	0.5
253.08589	0.6
254.05801	0.3
254.33551	0.2
265.05032	0.3
267.03299	0.3
267.10233	0.3
269.04581	0.7
269.07941	0.3
270.05350	0.6
271.09769	0.7
279.06757	0.3
281.04648	0.8
282.05173	0.4
283.02734	0.4
283.09808	0.8
284.03305	1.0
284.06912	0.3
285.03809	0.4
295.06567	0.4
295.09589	1.1
297.04172	1.9
297.11224	0.3
298.04813	1.7
299.05334	0.4
299.08841	0.3
301.10861	1.2
307.09619	0.4
309.04150	3.7
310.04480	0.8
311.05750	0.5
311.09329	0.5
321.07977	0.3
323.05930	0.5
324.06387	0.3
325.10809	1.1
330.04016	1.1
333.07629	0.3
337.07260	1.7
338.08121	0.6
339.08792	11.4
340.09143	1.7
341.10440	0.7
351.08624	2.6
351.11908	0.2
352.08875	0.4
369.09833	100.0
370.10159	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	369.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52500	0.4
55.92358	0.5
57.03339	3.1
59.01258	5.1
65.00207	3.4
65.03854	1.9
65.04716	0.5
67.01785	1.3
71.01273	0.9
71.56037	0.5
71.56456	0.8
78.33389	0.5
79.05430	2.9
81.03356	0.7
83.01279	2.4
85.02863	0.7
91.01813	1.6
91.05467	0.8
93.03378	0.8
95.04932	1.8
97.06478	2.5
101.02380	0.5
103.05422	3.2
105.03345	0.8
107.04948	0.7
108.02080	0.9
109.02867	13.9
121.02849	3.1
121.06515	8.4
122.06849	0.7
123.04435	2.7
124.01580	2.0
127.05453	1.2
130.04181	1.6
133.02884	12.2
133.03833	0.9
133.64856	0.5
135.04443	4.2
137.02368	0.6
137.06038	0.7
139.07614	2.7
143.05048	0.6
145.02924	0.7
145.06534	4.9
146.06841	0.5
147.04475	4.5
149.02354	2.7
149.06064	1.0
150.03191	1.3
157.06561	0.7
159.04442	1.9
161.02390	59.2
161.06042	1.7
162.02719	3.9
163.00337	2.5
163.03949	0.6
163.07571	0.6
165.05518	1.2
171.04512	0.9
173.06041	1.2
174.03178	16.4
175.03798	0.8
175.07570	1.5
177.01901	6.5
177.05559	0.8
179.07100	1.0
179.18123	0.5
185.06067	0.8
186.03195	0.6
187.03966	1.5
188.04663	0.7
189.05542	45.5
190.05945	2.8
191.07079	1.0
193.05060	1.1
201.01897	1.4
203.03445	1.0
207.06612	83.7
208.06935	4.8
214.02725	1.6
215.03413	1.3
225.05576	0.8
227.07253	0.8
229.05084	3.7
233.04544	0.8
235.06122	12.6
236.06477	0.9
237.11116	0.5
241.05222	0.6
247.06129	4.9
259.06241	1.5
267.06482	1.0
269.04514	0.7
270.05356	1.0
283.06100	2.1
284.06952	1.1
295.06152	1.9
296.06976	0.6
297.04123	0.7
299.09167	0.9
307.09744	1.1
309.07651	0.9
311.05670	5.1
325.10980	0.6
336.09811	0.6
337.10532	0.8
339.12280	1.5
341.10471	0.9
351.08508	0.8
351.12173	1.6
354.11108	1.7
369.09763	100.0
369.13559	9.2
370.10071	14.3
370.13931	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	369.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35443	0.7
55.91691	0.7
57.88173	0.9
59.01263	5.2
65.00192	0.9
67.64801	0.7
71.01271	1.6
71.52271	1.3
75.23561	0.7
83.01270	1.3
85.02852	0.9
87.00757	2.4
89.02318	1.0
91.05396	0.9
93.03356	0.8
96.95895	1.0
97.06434	1.7
101.02328	0.9
107.04901	0.8
108.02103	1.0
109.02842	3.4
117.03369	2.3
121.02861	6.7
123.04395	1.0
125.02337	1.0
130.99760	0.9
131.01276	3.2
131.03671	0.9
131.04871	1.1
133.02882	6.5
135.04390	2.3
147.04445	2.8
149.02365	2.3
149.05991	1.0
151.03979	1.2
159.04459	1.3
161.02348	2.4
163.03915	2.0
173.02348	1.1
173.05989	1.4
175.00319	5.4
181.06436	1.2
189.01828	1.1
189.05473	1.0
193.06483	2.2
198.20340	0.7
200.01106	2.1
201.05510	1.2
208.05275	0.9
209.05963	2.5
213.05589	1.1
215.03587	1.2
217.04971	1.7
223.03955	1.0
225.05647	1.7
236.04840	0.9
237.05580	3.5
239.07225	0.9
241.04938	1.7
253.04994	2.6
255.06662	1.2
264.04199	1.6
265.05072	1.9
267.06476	1.0
268.03860	1.5
269.04605	8.3
270.04745	1.5
271.06049	3.5
281.04587	3.4
282.05243	1.6
283.06137	14.3
284.06494	1.7
292.03928	1.8
293.04633	80.1
294.04977	7.4
295.02466	2.5
295.05698	1.3
297.04120	13.3
298.04483	1.9
299.05521	1.4
308.03186	3.6
311.05695	19.9
312.05734	1.6
323.09277	7.1
333.07709	9.5
337.03693	5.8
351.08731	23.7
352.09045	2.7
359.38358	1.0
369.09766	100.0
370.10175	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	369.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35443	0.7
55.91691	0.7
57.88173	0.9
59.01263	5.2
65.00192	0.9
67.64801	0.7
71.01271	1.6
71.52271	1.3
75.23561	0.7
83.01270	1.3
85.02852	0.9
87.00757	2.4
89.02318	1.0
91.05396	0.9
93.03356	0.8
96.95895	1.0
97.06434	1.7
101.02328	0.9
107.04901	0.8
108.02103	1.0
109.02842	3.4
117.03369	2.3
121.02861	6.7
123.04395	1.0
125.02337	1.0
130.99760	0.9
131.01276	3.2
131.03671	0.9
131.04871	1.1
133.02882	6.5
135.04390	2.3
147.04445	2.8
149.02365	2.3
149.05991	1.0
151.03979	1.2
159.04459	1.3
161.02348	2.4
163.03915	2.0
173.02348	1.1
173.05989	1.4
175.00319	5.4
181.06436	1.2
189.01828	1.1
189.05473	1.0
193.06483	2.2
198.20340	0.7
200.01106	2.1
201.05510	1.2
208.05275	0.9
209.05963	2.5
213.05589	1.1
215.03587	1.2
217.04971	1.7
223.03955	1.0
225.05647	1.7
236.04840	0.9
237.05580	3.5
239.07225	0.9
241.04938	1.7
253.04994	2.6
255.06662	1.2
264.04199	1.6
265.05072	1.9
267.06476	1.0
268.03860	1.5
269.04605	8.3
270.04745	1.5
271.06049	3.5
281.04587	3.4
282.05243	1.6
283.06137	14.3
284.06494	1.7
292.03928	1.8
293.04633	80.1
294.04977	7.4
295.02466	2.5
295.05698	1.3
297.04120	13.3
298.04483	1.9
299.05521	1.4
308.03186	3.6
311.05695	19.9
312.05734	1.6
323.09277	7.1
333.07709	9.5
337.03693	5.8
351.08731	23.7
352.09045	2.7
359.38358	1.0
369.09766	100.0
370.10175	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	369.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87249	0.3
56.56280	0.4
57.03334	0.5
59.01270	3.0
61.98696	0.5
65.00212	0.8
69.90886	2.1
71.01273	0.4
71.04844	0.4
74.71291	0.3
77.03866	0.7
79.01786	3.8
87.00778	0.8
89.03862	0.4
97.02845	5.2
98.20486	0.6
107.01279	0.7
108.02082	2.6
109.02866	1.8
115.00271	1.6
121.02872	5.4
123.04395	0.6
125.02309	0.4
131.04930	0.6
131.82399	0.4
133.02878	4.2
135.00795	1.7
136.01593	5.3
137.02382	0.8
147.00868	0.4
148.01604	1.5
149.02370	3.1
149.06030	1.2
151.03914	0.7
157.02888	0.4
157.06508	0.6
159.04265	0.4
159.08177	0.4
161.02357	0.8
163.00310	3.7
164.01070	3.3
165.01877	4.9
167.07025	0.4
171.04393	0.7
173.06071	0.5
175.03975	5.1
183.08136	0.5
185.05951	0.7
187.07608	0.9
189.05585	0.9
190.02632	0.6
193.03496	0.6
198.03117	0.8
199.04016	4.1
199.07532	0.6
201.01901	2.9
202.02638	0.6
204.91907	0.4
209.06073	0.5
210.06636	0.5
211.03981	0.5
211.07593	1.1
212.04788	0.5
213.05586	2.9
217.05058	1.5
225.05652	1.2
225.09474	0.4
226.06352	4.2
227.07068	2.3
229.05017	0.7
231.06613	4.7
232.06888	0.5
237.05591	0.8
240.04306	0.7
241.04858	0.6
242.05836	0.5
243.06728	0.5
253.05141	1.2
255.06697	4.2
269.04626	2.0
270.05276	1.7
271.06119	0.6
281.04495	0.6
297.04071	7.9
298.04877	14.0
299.05667	18.7
300.06100	1.9
311.05679	0.6
330.03870	5.9
351.08841	4.0
352.09302	0.5
369.09851	100.0
369.18994	3.1
370.10159	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	369.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63925	0.3
59.01267	2.6
64.94206	0.3
69.65461	1.6
70.18780	0.3
77.03861	0.3
79.01775	0.4
93.03360	0.5
95.01242	0.4
107.04923	0.4
108.02023	0.5
109.02840	1.0
121.02865	2.1
125.02371	0.5
125.20153	0.3
132.37331	0.3
133.02869	1.1
135.04446	2.1
136.01588	0.7
137.02365	0.4
139.03902	0.6
143.97849	1.0
144.98228	0.6
147.04425	0.5
148.01552	1.4
149.02382	3.5
151.03964	0.9
157.06606	0.3
161.02353	1.3
162.03152	0.4
165.01874	0.8
167.03450	0.7
167.04797	0.4
171.04582	0.5
173.02400	0.3
175.03928	0.7
177.05513	1.0
179.03458	0.4
181.06458	0.7
183.08096	0.3
185.06049	0.4
187.03865	0.4
188.01076	0.3
189.01878	0.5
189.05469	0.5
189.09172	0.4
190.02655	0.7
191.03471	1.1
191.07155	0.4
196.05389	0.3
197.05986	1.0
199.03949	0.6
199.07593	1.0
203.07033	0.7
205.05042	1.5
209.06062	0.5
210.06844	0.6
211.04008	0.9
211.07623	0.6
212.04738	0.8
213.05447	0.8
214.06232	0.4
214.61667	0.3
215.03345	0.3
215.07097	0.4
216.04121	0.4
225.05508	1.6
226.06293	1.1
227.03464	0.7
227.07057	0.6
231.06532	0.4
239.03386	0.5
240.04314	0.6
241.05078	2.3
242.05692	0.5
243.06668	2.7
253.05156	1.8
254.05782	1.3
255.06577	1.0
256.03827	0.7
267.02963	0.7
268.03851	0.7
269.04590	9.6
270.05237	2.6
271.06177	4.1
281.04544	1.2
282.05322	0.7
295.02670	0.8
295.06207	0.6
297.04108	15.2
298.04785	7.4
299.05661	43.3
300.05945	3.4
310.08463	0.4
311.05164	0.5
323.09369	0.4
325.10736	0.4
330.03864	10.4
331.04117	1.0
333.07614	0.8
339.08688	0.4
351.08774	6.5
352.09195	1.0
357.70740	0.3
369.09836	100.0
369.26471	1.2
370.10184	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	369.0985
Annotation	(7'S)-Parabenzlactone
Peak:m/z	Relative Intensity
59.01264	5.2
61.98716	26.2
63.02293	0.8
65.00202	5.4
70.13613	3.3
71.92722	0.7
77.92903	0.8
79.05417	0.7
83.01280	0.7
85.02851	0.8
89.03816	0.9
91.01768	0.9
93.03337	0.9
105.06969	1.5
107.04915	3.4
108.02050	1.6
109.02858	3.7
109.06500	2.1
110.20172	0.7
119.01318	1.0
119.04984	0.8
121.02840	1.8
124.01573	1.0
131.04962	3.9
131.48308	0.9
133.02875	6.1
133.06500	4.8
135.00845	0.7
135.04437	1.5
137.02382	3.8
145.02907	1.4
147.08046	0.9
148.01605	3.6
149.02390	8.9
149.06020	5.1
150.03104	1.1
151.07564	2.1
157.02832	0.9
159.04453	1.3
161.02374	2.5
163.03905	1.0
163.07652	1.1
169.75209	0.8
171.04539	0.8
172.55020	1.0
173.02466	1.2
173.06013	5.7
175.03918	3.6
175.07645	1.7
176.01108	3.2
184.38824	0.7
189.05530	1.5
192.07727	1.1
193.08670	2.1
199.03931	1.1
201.01936	3.6
207.10376	1.3
211.03940	1.4
212.04749	1.6
213.05559	0.8
214.02818	0.8
217.05040	17.3
218.05431	0.8
219.06569	3.2
224.04808	0.9
227.03430	1.1
228.04205	0.9
238.06152	1.0
239.03525	2.2
240.04327	1.2
265.08725	1.0
267.03006	3.8
268.03790	3.7
272.03177	0.9
279.03000	1.0
279.10385	1.4
280.03699	0.9
281.08200	2.3
281.11676	1.3
283.09927	1.0
295.02765	1.0
295.09702	1.2
297.11252	0.9
307.06183	1.1
307.09845	1.9
308.07010	1.0
309.07870	1.0
323.09305	54.4
324.09659	7.7
325.10797	4.0
337.07260	1.1
351.08801	61.4
352.09149	7.5
369.09845	100.0
369.26770	1.5
370.10165	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	367.2649
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
58.44997	0.6
59.01266	1.4
63.49870	0.6
71.08454	1.4
76.71889	0.6
98.56041	0.6
133.06520	7.5
149.09663	67.1
150.09991	4.1
197.02803	0.8
205.15968	40.7
206.16338	2.7
220.27670	0.7
268.95688	0.6
295.17163	1.8
296.17667	0.7
307.10324	1.0
328.16815	1.2
367.26520	100.0
368.26855	14.3
376.41418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.7
57.03323	2.0
58.00467	0.9
59.00964	1.5
59.01263	26.9
61.29365	0.6
61.98753	0.6
62.87447	0.6
69.03340	0.8
69.54585	4.2
71.01269	40.0
71.85966	0.6
72.01608	0.7
72.99182	2.5
73.02834	22.2
75.00748	2.2
83.01270	7.5
85.02843	20.8
85.99979	1.0
87.00777	3.0
89.02335	10.3
95.01263	2.8
97.02863	1.1
99.00780	10.9
101.02342	44.6
111.00779	1.5
112.01575	1.5
113.02354	19.8
119.03394	1.4
125.02377	2.0
129.01842	2.2
131.03426	1.4
134.03629	2.2
143.03435	2.5
159.02922	4.2
161.04497	16.3
188.08968	0.6
191.05559	1.1
193.04999	1.3
205.03476	1.0
235.11877	61.5
236.12326	3.1
307.10406	1.3
367.16150	100.0
368.16486	8.6
376.67105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.119
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
50.84101	0.7
59.01268	8.2
59.53778	0.7
63.14642	0.7
65.00211	4.8
68.99694	1.5
70.58852	0.7
71.01273	1.9
71.53472	1.3
71.63777	0.7
73.02837	1.1
74.02106	0.7
75.06075	0.7
89.02299	0.8
93.03374	0.8
97.02852	2.6
101.02351	1.6
107.04919	1.0
113.02350	1.2
118.34492	0.6
121.02907	1.0
125.68642	0.7
131.01335	1.1
133.02850	4.1
133.06503	5.4
135.44809	0.8
149.02390	1.1
149.06023	0.8
149.99564	2.1
159.04552	1.1
161.02388	1.6
161.04504	2.9
162.06850	1.6
163.00351	6.0
165.09184	6.6
170.09010	0.8
173.06041	0.9
175.00339	10.4
175.03911	0.8
182.96609	0.8
189.05524	0.9
189.09109	1.0
190.06349	3.1
193.01439	1.0
201.01906	1.3
203.03497	2.2
205.08650	1.8
217.05107	1.0
218.05797	4.7
233.08194	32.9
234.08517	1.7
239.03539	1.6
253.04996	1.2
265.05087	1.6
281.04608	1.3
283.02548	1.4
284.03375	2.5
293.21317	1.0
297.04132	3.3
297.11383	2.2
307.10501	5.5
309.04086	14.9
310.04602	1.8
325.11081	0.9
337.07220	1.7
339.12405	2.1
351.08835	1.3
352.09634	2.8
367.11935	100.0
368.12262	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	367.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.6
61.98701	0.6
69.67690	2.0
69.68111	1.0
71.01239	1.1
77.37500	0.4
101.02363	0.6
102.32433	0.4
121.02883	1.2
126.37462	0.4
132.02013	0.5
133.02863	3.0
148.01593	0.6
149.02368	0.6
161.02412	0.9
161.04451	1.2
163.00323	0.9
173.06001	0.6
175.00293	2.6
195.04518	0.5
197.06071	1.1
200.01146	1.4
201.01939	4.1
201.05467	0.7
203.30299	0.5
209.04315	0.5
209.06122	0.7
225.05527	3.3
227.03497	0.8
237.05522	1.2
239.03392	0.6
241.05074	1.7
251.03505	1.0
253.05038	3.2
255.02820	0.6
263.03513	0.6
264.08286	0.5
265.05121	1.4
267.03101	1.5
269.04596	4.4
280.03879	1.1
281.04559	1.5
284.03333	0.9
292.03711	0.6
293.21246	0.6
296.03329	0.6
297.04111	25.6
298.04486	2.1
307.06998	0.5
307.10342	3.3
308.03223	0.6
309.04111	57.4
310.04404	5.2
312.06412	1.2
337.07446	2.2
344.05444	4.0
351.08942	0.6
351.81567	0.5
352.09583	30.7
353.09955	3.7
360.87756	0.5
367.11929	100.0
368.12228	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	367.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.1
62.44918	0.4
71.01180	1.1
99.33914	0.4
121.02824	0.9
133.02858	1.7
133.06471	0.5
149.02336	1.0
160.01587	1.5
175.00266	1.8
181.77122	0.4
188.01131	8.4
189.01790	1.4
200.01138	4.4
200.17389	0.5
201.01926	4.3
209.06013	0.8
225.05484	1.6
237.05501	0.7
241.05060	0.7
243.06555	0.9
253.04985	3.1
264.04349	0.4
265.05157	1.0
267.02991	1.0
268.03809	0.6
269.04581	1.7
280.03848	1.1
281.04663	2.7
284.03180	0.5
290.17065	0.4
297.04083	6.8
307.10477	0.9
308.03317	1.3
309.04099	73.3
310.04434	6.7
312.06543	0.6
312.14172	0.4
323.05814	0.6
335.09253	0.5
337.07257	1.3
344.05569	1.4
345.06067	0.5
351.08905	2.1
352.09564	38.2
353.09903	4.8
367.11920	100.0
368.12234	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	367.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
59.01268	6.1
65.87943	1.0
69.46490	4.5
69.46922	2.8
71.01263	6.2
72.99199	73.9
73.99531	1.4
83.04903	1.2
84.99219	1.6
85.99982	0.9
87.00776	3.7
87.25649	0.9
93.03363	2.7
97.06503	5.8
99.00782	10.6
99.45327	0.9
100.98702	5.3
103.00278	32.1
107.04935	14.4
108.02077	52.5
108.22980	0.9
109.02895	7.1
111.04424	1.5
112.05170	1.0
117.03410	1.7
121.02869	26.5
122.03668	18.2
123.04480	6.6
124.01572	1.9
125.02365	2.8
133.02887	2.7
134.03636	8.3
135.04445	10.9
137.02376	6.4
145.02876	1.3
146.03673	1.2
146.99290	31.6
147.00604	1.8
147.00841	1.4
149.02374	2.1
150.03165	1.7
151.03888	4.6
154.02666	3.1
161.02400	7.0
163.03966	11.6
164.04704	3.7
166.02666	2.5
178.02661	2.8
179.03470	50.8
180.04245	12.0
181.05072	1.2
190.02718	1.1
191.10771	16.3
194.02162	1.8
201.09125	1.8
207.02930	4.9
208.03821	9.4
219.10306	5.6
222.09053	1.2
270.03876	31.7
270.06799	2.1
271.04221	2.5
277.10989	9.8
291.08865	5.8
305.10437	1.7
307.10422	2.0
367.10425	100.0
368.10751	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	367.1042
Annotation	Methyl-4-O-caffeoylquinate
Peak:m/z	Relative Intensity
55.01761	1.0
59.01268	6.1
65.87943	1.0
69.46490	4.5
69.46922	2.8
71.01263	6.2
72.99199	73.9
73.99531	1.4
83.04903	1.2
84.99219	1.6
85.99982	0.9
87.00776	3.7
87.25649	0.9
93.03363	2.7
97.06503	5.8
99.00782	10.6
99.45327	0.9
100.98702	5.3
103.00278	32.1
107.04935	14.4
108.02077	52.5
108.22980	0.9
109.02895	7.1
111.04424	1.5
112.05170	1.0
117.03410	1.7
121.02869	26.5
122.03668	18.2
123.04480	6.6
124.01572	1.9
125.02365	2.8
133.02887	2.7
134.03636	8.3
135.04445	10.9
137.02376	6.4
145.02876	1.3
146.03673	1.2
146.99290	31.6
147.00604	1.8
147.00841	1.4
149.02374	2.1
150.03165	1.7
151.03888	4.6
154.02666	3.1
161.02400	7.0
163.03966	11.6
164.04704	3.7
166.02666	2.5
178.02661	2.8
179.03470	50.8
180.04245	12.0
181.05072	1.2
190.02718	1.1
191.10771	16.3
194.02162	1.8
201.09125	1.8
207.02930	4.9
208.03821	9.4
219.10306	5.6
222.09053	1.2
270.03876	31.7
270.06799	2.1
271.04221	2.5
277.10989	9.8
291.08865	5.8
305.10437	1.7
307.10422	2.0
367.10425	100.0
368.10751	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	367.1043
Annotation	Methyl-4-O-caffeoylquinate
Peak:m/z	Relative Intensity
56.43442	0.5
58.00485	0.6
59.01259	3.8
59.63122	0.5
59.98065	0.5
61.38520	0.5
61.98404	0.5
61.98715	1.9
69.37347	5.1
70.43748	0.5
71.01266	2.3
72.99196	47.7
73.02821	0.6
75.00764	0.5
79.16412	0.5
83.04909	0.9
87.00771	5.1
93.03349	4.8
95.04917	0.5
97.06490	9.1
98.20644	0.5
99.00774	1.8
99.04416	1.4
101.02346	0.5
103.00278	5.4
107.04935	9.1
108.02081	8.7
109.02861	3.1
111.04440	1.5
112.05219	6.8
113.02313	0.6
117.03369	1.2
117.18568	0.5
119.04932	1.0
119.87993	0.4
121.02869	43.9
122.03699	8.8
123.04441	4.8
124.01551	0.9
133.02869	1.5
134.03612	0.8
135.04436	7.4
136.01595	1.1
136.05197	1.5
137.02362	2.0
145.02892	4.6
146.03601	1.7
146.99290	1.9
147.00821	2.8
147.04425	2.0
148.01633	0.5
148.05165	1.0
149.02393	2.2
150.03177	1.0
151.03960	3.3
154.02647	0.9
161.02415	3.1
162.02959	0.8
163.03958	10.4
164.04720	4.4
172.05080	0.5
175.07657	0.7
177.09152	4.4
179.03461	41.1
180.04160	7.0
189.01945	2.0
191.10768	3.8
194.02188	0.7
201.09172	2.6
205.08737	2.4
206.02213	0.8
207.02974	5.3
208.03772	3.9
217.08667	0.8
219.10239	3.7
243.10323	0.7
245.08151	0.9
259.09885	0.9
261.11246	0.9
270.03922	4.3
275.09323	1.2
277.10849	21.8
278.11237	1.6
287.09326	1.9
291.08774	8.8
291.11871	0.7
305.10388	6.9
306.10831	0.7
318.07104	0.6
321.09811	1.8
323.11539	0.9
330.74078	0.5
331.08331	0.6
349.09396	1.5
367.10403	100.0
368.10779	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	367.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30370	0.3
52.63012	0.3
59.01267	4.0
62.12451	0.3
62.42099	0.3
65.00207	5.7
70.22238	1.0
71.01260	1.1
72.99199	0.5
73.02821	0.9
79.05436	0.4
85.02819	0.4
87.00787	0.5
89.03854	0.4
95.04894	0.4
96.95911	0.5
101.02349	0.8
103.05434	6.1
108.02048	0.5
109.02882	1.9
113.02377	0.4
115.05475	0.6
119.04967	0.7
121.02869	1.2
121.06485	0.3
123.04418	0.4
125.02312	0.5
127.05465	0.8
133.02887	3.8
135.04424	0.5
136.01518	0.4
143.04915	1.3
145.02875	1.4
147.04463	4.5
148.01581	0.6
149.02385	1.4
157.02859	0.5
159.04460	6.1
161.02374	1.3
161.04485	1.7
161.05977	0.9
165.05522	0.8
171.04466	7.5
172.04854	0.5
173.02361	0.9
173.06021	0.6
174.03073	0.4
175.00311	0.6
175.03964	1.0
177.01897	0.4
179.03529	0.4
187.00331	0.4
187.03981	5.4
188.04593	0.3
189.05504	0.9
199.04047	1.6
200.01125	11.0
201.01898	2.5
201.05551	0.6
202.06294	0.8
203.03333	0.8
205.05016	0.6
212.04877	0.4
213.05516	0.5
214.02740	0.6
215.03500	25.3
216.03874	1.2
228.04218	0.4
229.05121	0.6
231.06564	1.2
233.04553	13.9
234.04839	1.2
235.07549	0.6
239.07146	1.4
240.04100	0.6
241.05089	0.5
249.09180	0.5
257.08276	0.5
262.06519	0.4
263.07153	1.0
269.04596	0.5
270.05392	0.7
277.08917	0.7
279.06641	1.0
281.04630	0.8
281.08194	0.5
282.05356	0.6
290.05850	0.5
295.06177	0.4
296.03052	0.5
297.04135	1.0
297.07687	2.3
305.08063	1.7
306.05344	0.4
307.06674	0.6
307.10394	2.7
309.03983	1.4
309.07687	1.0
321.07770	2.5
323.09265	1.0
334.04852	4.8
335.05209	0.5
338.08002	1.0
339.08731	2.1
339.12344	0.5
349.07224	14.0
350.07666	1.9
367.08237	100.0
368.08591	10.9
368.12708	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20815	1.1
56.99682	1.1
59.01264	5.7
69.27180	1.9
69.27600	7.5
71.01260	3.9
72.99197	57.0
80.75341	0.9
84.99205	12.0
85.99982	4.8
87.00769	5.1
93.03339	1.4
97.06456	1.8
99.00780	3.3
100.98710	20.0
103.00275	70.2
104.00607	1.5
106.53880	1.2
106.72607	1.0
107.04917	2.4
108.02076	20.9
109.02904	2.5
117.03410	1.2
121.02872	5.9
122.03654	14.9
123.04469	2.2
124.01582	2.4
130.99768	2.0
133.02895	2.0
135.04434	9.4
137.02365	3.8
146.03700	1.0
146.99290	98.7
147.04512	1.1
147.99672	1.6
149.02376	1.4
151.03964	2.6
154.02692	3.2
156.92978	0.9
161.02428	1.5
161.04468	1.7
163.03972	5.5
164.04768	1.4
169.30635	1.1
173.22072	0.8
174.01646	16.4
175.01932	1.2
176.04547	1.0
178.02568	1.2
179.03453	8.5
180.04254	2.0
185.38377	1.0
187.07567	1.1
191.10739	1.1
193.97298	1.0
194.02257	1.3
201.09216	2.0
205.08548	1.1
207.02898	1.4
208.03798	5.3
270.03867	100.0
271.04178	6.6
277.10818	3.1
291.08795	1.2
292.94260	1.1
303.37811	0.9
307.10245	1.5
308.04736	1.0
367.10458	40.5
368.10699	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	367.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.4
59.68279	0.4
69.26130	0.4
71.01289	0.8
71.56516	0.5
72.99209	0.6
73.02837	0.6
82.02073	0.3
91.50174	0.4
93.03363	0.5
96.95916	0.6
101.02357	1.1
109.02865	0.8
113.02380	0.6
121.02888	2.1
131.01317	0.7
133.02899	1.7
135.04468	0.8
148.01590	1.6
149.02371	1.1
161.04527	1.5
163.04016	0.4
175.00366	1.7
177.01897	1.1
179.03493	0.5
190.02692	1.0
200.01103	2.8
201.01888	4.2
209.06078	0.7
215.03386	0.6
217.01483	0.4
225.05594	0.6
227.03647	0.7
237.05566	1.7
239.03400	0.7
240.04318	0.4
241.05141	0.4
243.03119	0.8
253.05031	2.2
263.03653	0.7
264.04272	0.4
265.05133	3.3
267.02985	1.0
269.04593	1.6
270.05273	0.4
279.06772	0.6
280.03741	0.7
281.04623	5.1
282.05386	0.7
285.07654	0.4
288.75986	0.4
291.03091	0.7
293.08124	0.4
297.07825	0.4
307.07065	0.5
307.10385	3.1
308.03375	1.1
308.06778	0.6
309.04111	63.5
310.04623	8.6
311.05078	0.4
321.07547	0.5
324.06201	0.6
325.07175	1.5
335.05664	1.4
336.06430	0.7
337.03577	0.7
337.07233	1.4
337.14517	0.7
339.08817	1.6
349.07291	1.2
349.14499	1.2
351.05151	1.1
352.05945	38.7
353.06335	4.6
355.06766	0.4
367.08264	100.0
367.15723	4.1
368.08606	12.4
368.15793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01271	1.3
65.00208	0.3
71.01377	0.4
72.99176	0.3
81.03350	0.2
93.03364	0.4
101.02370	0.3
103.05421	0.4
109.02846	0.6
110.27917	0.2
111.00807	0.2
121.02887	1.2
123.04403	0.4
133.02916	1.1
135.00797	0.4
135.04445	0.8
141.01740	0.2
141.98198	0.5
142.98549	0.2
143.85374	0.3
143.97905	1.0
144.98213	0.3
145.02869	0.4
146.03664	0.3
147.04449	0.4
148.01563	1.0
149.02386	1.7
157.02879	0.3
159.04379	0.4
160.01486	0.3
161.02414	0.4
161.04453	0.5
161.05922	0.3
162.79869	0.2
163.03937	0.3
165.05519	0.4
169.02869	0.2
170.03581	0.2
171.04424	1.0
173.02483	0.4
174.03256	0.3
175.00357	0.4
175.02510	0.2
175.03967	0.6
177.01831	0.5
186.43896	0.2
187.03963	0.9
188.01181	0.5
189.05545	0.4
195.04478	0.2
196.05344	0.2
197.06087	0.5
198.03136	0.5
199.03960	0.9
200.01147	1.6
200.04706	0.3
201.01913	3.0
202.02454	0.5
209.06215	0.2
212.04712	0.5
213.01968	0.3
214.02686	0.4
215.03467	1.9
217.05116	0.3
224.04797	0.2
225.05574	0.6
226.02629	0.5
227.03432	0.5
233.04378	0.4
234.06842	0.2
235.07602	0.4
237.05573	0.3
238.06293	0.3
239.03526	0.5
240.04324	1.2
241.05077	3.0
242.02193	0.5
242.05658	0.3
243.02979	1.1
246.06871	0.4
249.09236	0.5
251.07150	0.4
253.05148	1.2
254.05688	0.4
255.03093	0.3
256.03705	0.5
258.05298	1.4
259.06177	1.2
261.05545	0.5
261.09427	0.4
262.06363	0.5
265.05075	0.7
265.07999	0.2
266.05905	0.5
267.03085	0.7
267.06573	0.2
269.04639	0.7
270.05280	0.4
275.07208	0.3
277.05298	0.3
277.08737	0.9
279.06879	0.5
280.03848	0.3
281.04636	2.6
282.05228	0.6
284.03268	1.2
290.05951	0.8
293.04709	0.4
293.08203	0.4
295.05957	0.2
296.06909	0.4
297.04050	0.9
297.07388	0.3
298.04874	0.6
303.06732	0.3
305.08273	1.0
306.05371	0.3
307.06256	0.5
307.10376	0.9
308.03406	0.3
309.04102	9.7
310.04807	4.0
311.05499	0.4
311.09244	0.6
321.07639	0.8
322.04871	0.7
323.05603	0.7
323.09039	0.5
324.06439	1.1
325.07281	0.7
330.04120	0.7
331.06152	0.2
332.07333	0.3
334.04837	1.3
335.05319	0.3
337.07022	0.4
339.08798	4.8
340.09201	0.4
349.07230	5.2
350.07642	0.7
352.05801	0.6
367.08270	100.0
368.02344	0.7
368.08630	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0833
Annotation	Candidusin B 2,2'-Epoxy-3',6'-dimethoxy-1,1',4',1''''''''-terphenyl-3'''''''',4,4'''''''',5-tetrol
Peak:m/z	Relative Intensity
51.82817	0.5
59.01262	5.5
65.00207	0.9
65.04306	0.6
71.01268	2.7
72.28388	0.5
72.50700	0.5
85.02845	1.3
89.03850	0.8
91.01785	1.0
93.03333	0.6
99.00822	0.7
101.02334	1.2
102.34618	0.5
103.01794	0.8
109.02838	1.2
113.02344	1.0
121.02873	0.6
123.04400	1.2
131.01324	5.1
133.02887	11.4
145.02885	1.5
146.03610	0.7
147.00812	0.8
147.04515	0.8
148.01553	1.2
149.02301	2.2
151.03934	1.4
157.02881	2.3
159.04451	1.8
161.02335	1.0
161.04530	3.0
165.05511	1.9
173.02332	1.1
174.03146	2.3
175.00325	32.6
176.00870	2.0
189.05544	2.6
190.02710	1.9
191.03493	5.7
193.01416	0.7
201.01903	12.2
201.05588	0.7
202.99812	2.6
203.03526	0.9
218.02199	7.1
219.02908	0.9
221.06068	0.8
225.05519	0.8
233.04559	36.2
234.04848	2.7
237.05568	1.3
239.03510	1.7
240.04114	0.7
249.05646	0.7
252.78091	0.5
253.05231	0.8
265.05066	2.2
281.04660	2.8
282.05319	2.3
293.04520	1.5
297.04303	0.7
297.07678	2.1
307.06747	0.9
307.10431	5.0
309.04120	26.2
309.23422	0.6
310.04678	4.4
321.04318	1.1
322.04971	0.8
324.06183	0.7
324.13739	1.2
325.07159	3.8
334.05280	0.8
335.05679	1.6
337.07401	0.8
339.08859	2.7
339.12161	0.6
340.08994	0.6
349.07010	0.7
351.05438	0.6
352.05801	3.6
367.08273	100.0
368.08636	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	365.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98155	0.3
55.01754	0.4
56.15223	0.3
59.01267	2.8
68.78870	0.3
71.00153	0.6
71.04908	0.8
83.04929	0.6
85.97646	0.3
99.04414	0.4
103.67043	0.3
137.05988	0.3
151.41917	0.3
153.12761	0.5
154.94846	0.3
155.14371	0.8
163.11240	0.5
165.12813	2.5
169.71739	0.3
181.12363	1.4
199.13379	29.4
200.13725	1.5
209.11832	0.3
275.33713	0.3
347.26001	4.6
348.26074	0.5
350.51294	0.3
363.25638	0.3
365.27029	100.0
366.27350	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	366.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.4
71.50551	0.9
86.41264	0.4
116.04970	2.7
160.03989	100.0
161.04395	4.3
204.02992	3.5
205.03333	0.5
216.32562	0.5
366.08377	18.8
367.08636	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.083
Annotation	(3R,4aR,13bS)-rel-(+)-1,2,3,4,4a,13b-Hexahydro-3,9,11,13-tetrahydroxy-anthra[2,3-b]benzofuran-7,12-dione
Peak:m/z	Relative Intensity
51.43937	1.4
59.01264	20.3
61.98733	2.1
62.28475	1.5
65.00203	4.7
65.03814	1.5
71.01247	5.7
71.52250	2.9
73.02831	3.4
79.05419	3.2
85.02862	2.3
89.02314	1.7
91.01794	3.6
99.00805	1.5
101.02325	4.0
103.05394	3.3
105.07003	3.3
107.04923	9.3
109.02867	21.9
109.53684	1.5
115.05443	1.7
119.01296	2.6
121.02838	5.5
129.06952	2.2
131.04956	8.1
133.02837	6.5
135.00764	2.2
135.04439	3.4
143.04947	4.7
145.02861	4.2
147.04410	3.3
147.08080	4.1
149.02348	8.4
149.06042	10.6
153.01862	2.8
157.06490	2.1
158.03658	2.6
159.03278	1.6
159.04443	9.6
161.02357	7.2
161.04471	6.4
161.06010	4.8
162.76497	1.6
163.07581	1.7
171.04503	2.5
172.05196	2.0
173.02318	6.7
173.06052	10.7
175.03920	5.5
176.01201	1.8
185.05983	2.2
191.07118	15.6
215.03508	3.2
217.05034	24.3
217.64381	1.7
218.05229	1.6
219.96486	1.6
224.22064	1.6
229.05075	11.0
230.05795	3.7
231.06616	17.4
238.06354	1.8
249.09138	2.7
253.08696	3.7
255.10445	2.0
279.10199	3.1
291.19650	2.7
293.08298	4.9
295.09836	7.6
303.06766	3.8
307.06882	2.3
307.10318	14.6
309.04276	2.5
309.20749	12.5
311.09460	1.7
321.07764	39.8
322.08020	5.2
323.09274	8.6
335.09650	1.7
339.08768	15.8
340.09155	1.8
349.07233	81.7
350.07571	9.1
367.08191	100.0
367.12027	12.3
367.16464	18.5
368.08545	9.6
368.16586	3.2
374.99768	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	365.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.1
58.80761	0.5
59.01259	8.3
71.01276	0.7
71.58678	0.8
83.04912	0.6
85.02798	0.4
86.55973	0.4
89.02322	0.7
91.03887	0.6
93.03313	0.5
95.04894	0.8
96.95931	0.5
97.06470	0.7
111.08055	4.9
118.67913	0.5
121.10137	5.0
122.10427	0.5
123.07995	0.5
125.09632	2.8
141.12802	0.6
147.08054	0.6
167.10730	1.3
177.12860	1.3
179.10732	1.3
185.11766	4.8
195.13899	3.5
197.11826	1.7
201.02548	0.7
211.13280	0.6
247.20645	1.9
273.18665	1.5
291.19720	100.0
292.20065	9.9
305.08597	0.6
313.49625	0.5
332.77533	0.5
335.09146	0.5
350.08130	0.6
365.10471	2.7
365.23386	3.1
365.27274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2703
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01266	0.9
69.47052	0.4
69.47453	2.1
74.57198	0.3
85.06479	3.3
89.79388	0.3
98.44633	0.3
187.52823	0.3
195.14081	0.3
199.13379	0.7
215.32175	0.3
251.20305	0.5
261.18661	1.3
279.19708	17.2
280.20047	1.5
329.31354	0.3
347.25995	5.3
348.26404	0.7
363.24930	0.4
365.27039	100.0
366.27371	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	365.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87078	0.4
56.94189	0.6
57.03337	1.3
59.01262	9.1
59.18178	0.5
71.01273	0.8
71.21624	0.9
71.21959	0.8
82.57655	0.5
85.02853	0.5
91.03940	0.8
92.46445	0.5
92.85861	0.5
93.07040	0.7
97.06487	1.9
99.00755	0.5
101.02329	0.8
121.10152	9.3
123.08066	0.9
125.09669	4.8
131.41055	0.6
141.12794	0.7
147.08081	1.2
185.11794	11.3
186.12125	0.6
197.11833	2.4
201.02567	1.8
209.11725	0.9
211.13377	2.1
223.13405	0.9
247.20657	0.7
263.20105	0.7
273.18597	2.4
283.26773	0.7
291.19730	100.0
292.20056	9.1
347.25906	1.3
365.10532	1.2
365.14917	0.6
365.23367	4.8
365.26993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
59.01263	6.6
60.22426	0.3
61.98719	0.4
63.14552	0.3
63.80453	0.3
65.10949	0.3
66.60273	0.3
71.01273	0.8
71.51907	0.6
74.71907	0.4
74.76458	0.3
83.04907	0.6
89.02353	0.5
91.03875	0.5
93.03331	0.4
95.04911	0.7
97.06495	0.4
109.06474	0.5
111.07298	0.6
111.08070	9.6
112.08363	0.4
113.09634	0.4
135.11757	0.4
137.09642	1.4
141.09180	0.4
144.42917	0.3
157.93454	0.4
167.10712	1.7
177.12819	2.6
179.10730	2.2
195.12297	0.6
195.13887	6.6
196.14317	0.4
197.94987	0.3
203.14357	0.6
209.63498	0.3
211.45851	0.3
247.20676	2.2
273.18625	1.4
291.19727	100.0
292.20047	9.7
323.05923	0.5
365.10629	1.6
365.23557	2.3
366.11011	0.4
366.23764	0.4
372.24429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85225	0.5
57.14201	0.4
58.95972	0.4
59.01264	100.0
60.01606	0.8
60.11088	0.5
61.98716	0.6
67.91309	0.5
69.64882	2.6
71.01267	5.3
72.99202	2.0
73.02840	0.5
75.00797	0.5
85.02855	1.3
87.00794	1.6
89.02332	9.0
89.02843	0.7
95.01276	0.6
96.95933	0.5
98.20608	0.5
101.02330	2.4
101.05986	0.5
113.02370	2.8
119.03403	3.1
128.82413	0.4
143.03433	0.9
161.02367	0.8
161.04559	1.0
173.06073	1.2
175.03954	0.9
175.07573	0.6
177.01930	1.9
179.05591	3.0
188.04854	0.6
189.05629	0.6
201.05527	0.7
202.06297	0.7
203.07198	0.9
215.07117	0.6
217.05072	0.6
217.08772	0.8
219.06779	0.8
220.07495	0.8
227.07094	0.7
234.09076	0.5
245.08374	0.6
257.08249	0.7
275.09366	1.4
305.16144	0.9
365.08725	4.4
365.18448	0.8
366.09088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.4
57.03344	0.5
58.00493	0.4
58.35780	0.4
59.01264	100.0
60.01594	1.1
63.93198	0.4
68.86942	0.3
70.70438	0.7
70.70793	1.0
71.01273	8.0
72.99210	0.5
73.02839	2.0
76.90044	0.4
81.94137	0.4
83.01292	1.2
84.81029	0.4
85.02839	3.9
87.00777	1.6
89.02348	2.8
93.38776	0.4
95.01323	0.6
99.00793	1.1
101.02344	5.7
102.69054	0.4
113.02348	3.6
113.02980	0.4
117.56062	0.4
119.03452	0.4
119.04949	0.7
127.84540	0.4
129.01852	0.4
141.33838	0.4
143.03433	0.8
143.10815	0.7
159.02936	1.2
161.04506	7.7
183.05257	0.4
189.09175	0.5
219.06627	0.5
220.07349	0.4
227.31123	0.4
260.80801	0.4
277.10992	0.4
286.20483	0.4
305.16129	13.5
306.16675	0.5
365.08987	1.4
365.18335	1.4
366.08490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1038
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
59.01261	3.3
65.00177	0.5
107.04969	0.3
112.43073	0.3
121.02824	1.1
129.06973	0.5
131.04918	0.4
133.02838	1.3
143.04784	0.3
145.02937	0.3
148.01599	3.2
149.02336	0.8
149.05969	0.4
150.03137	0.4
171.04501	0.8
173.02367	0.4
173.05995	1.2
175.03825	0.4
187.03996	0.5
197.06018	0.7
198.03172	0.7
199.03961	0.7
200.01074	0.6
201.02086	0.9
213.01999	0.3
213.05482	0.4
214.02699	0.5
215.03500	2.4
217.05020	1.5
224.04900	0.4
226.02679	1.2
227.03444	1.0
233.06113	0.3
240.04301	2.7
241.05101	8.4
242.05551	1.0
243.02878	0.9
247.07874	0.3
250.94070	0.3
251.07053	0.3
261.09164	0.5
262.06421	0.7
263.07089	0.6
265.08768	0.8
271.02487	0.7
275.07138	1.2
276.08066	0.3
277.05847	0.3
277.08685	1.4
279.03009	0.6
279.06717	0.9
281.04767	0.4
288.08060	0.3
289.08560	0.3
290.05814	0.7
291.06607	1.3
291.19794	0.6
293.04944	0.5
293.08313	1.7
303.06702	0.7
304.07428	0.6
305.08289	2.8
306.05450	0.4
306.08807	0.5
307.02686	0.4
307.06155	1.3
308.06903	0.4
309.04117	6.1
310.04465	0.5
320.03302	0.4
321.07764	3.2
322.08301	0.8
323.05774	1.0
331.06158	1.3
332.06946	2.1
333.07730	4.1
335.01663	0.4
335.05664	6.8
336.05902	0.8
347.25769	0.5
348.06464	0.4
349.07236	24.2
350.08002	58.5
351.08371	7.0
365.10370	100.0
365.27026	1.3
366.10703	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	365.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96925	0.2
57.80903	0.3
59.01262	2.9
65.00204	6.3
65.00532	0.5
66.73296	0.2
68.99696	0.4
70.35124	0.3
70.55491	0.2
71.51830	0.3
79.05418	0.6
82.31179	0.2
89.03875	0.6
93.03377	0.4
103.05437	2.7
107.04935	0.3
108.02070	0.3
108.99226	0.9
118.04151	0.8
121.02926	0.3
131.04938	5.0
132.02042	0.3
133.02882	6.7
136.98732	12.1
137.99033	0.4
143.04973	0.5
144.05725	1.0
145.02870	0.7
147.04437	1.1
148.01572	0.7
149.02348	0.7
155.04936	1.7
157.02895	0.9
157.06561	0.7
159.00833	0.3
159.04462	2.7
160.05244	1.2
161.02379	1.7
163.07587	3.9
171.04367	1.5
172.05249	1.8
173.02409	1.5
173.05891	0.3
174.03104	0.4
175.03905	0.7
176.04810	0.4
187.03967	0.9
187.07535	0.4
188.04752	3.2
189.05540	0.5
199.03967	2.2
201.01898	4.9
202.02568	1.0
203.03548	1.2
204.04434	0.5
205.08543	0.3
215.03543	2.0
216.04286	8.0
217.04774	0.6
221.06174	0.4
227.03488	1.4
229.01361	1.3
230.02014	0.3
231.06625	30.9
232.06953	2.0
235.07623	0.7
239.03426	0.3
241.05096	1.1
261.09479	0.3
262.06409	0.9
263.07144	3.3
265.05142	0.3
274.01178	0.3
276.07791	0.3
277.08768	0.9
278.09213	0.4
279.06778	0.4
280.07346	0.8
281.04822	0.3
281.08157	0.3
287.07138	1.2
289.08698	0.5
291.06738	1.4
291.19626	1.2
293.08218	0.5
295.09772	2.5
303.06467	0.4
305.08261	4.6
306.08813	0.8
307.06131	0.8
309.04254	0.6
321.07663	2.0
322.08292	1.7
323.09088	0.4
331.06110	0.4
333.07690	1.0
335.05539	1.9
337.10846	1.7
347.09683	0.4
349.07211	10.2
350.07886	4.0
365.10349	100.0
366.10675	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	365.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56358	0.6
59.01261	8.1
59.34606	0.6
61.98706	1.3
64.09500	0.7
69.76711	2.9
98.03558	0.6
121.02869	1.6
127.55916	0.7
133.02882	1.3
135.04448	0.7
148.01547	1.7
149.02385	1.2
157.06609	0.7
173.06050	0.7
175.07599	2.3
189.01880	1.8
199.03934	0.9
201.02463	1.5
204.26093	0.6
213.05603	0.8
215.03569	1.9
217.05104	1.4
226.02763	0.7
227.03409	1.3
240.04294	2.5
241.05084	7.0
267.02982	2.1
267.62823	0.7
291.19656	0.9
293.04736	1.2
293.08157	1.3
303.06735	0.7
305.08194	3.3
307.02811	0.7
307.06100	1.5
309.04132	6.1
321.07599	3.5
331.06036	1.1
332.06949	2.7
333.07831	3.2
335.05655	6.3
336.06119	1.0
349.07257	20.3
350.08014	57.6
351.08383	5.0
365.10361	100.0
366.10745	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	365.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53307	0.4
59.01258	8.0
71.01286	0.7
71.51366	0.9
74.09049	0.5
79.05428	0.9
93.03365	3.1
95.93058	0.4
105.22356	0.4
107.04951	2.3
113.02380	0.6
117.03377	13.6
118.03693	0.4
119.04898	0.8
123.04415	1.5
128.86330	0.5
131.04935	0.9
132.02103	1.8
133.02896	5.0
133.31100	0.5
135.04402	0.8
139.84482	0.4
141.03348	0.5
145.02879	1.2
155.04950	0.6
157.06487	3.3
158.03680	0.6
159.04405	0.9
161.04385	0.7
169.06537	1.7
173.15939	0.5
183.04549	1.0
184.05194	0.7
185.02510	0.5
185.06042	4.7
197.06010	0.7
199.03961	0.5
199.07590	1.0
201.01987	1.9
201.05550	0.5
209.06035	1.9
211.03972	2.3
213.05659	2.3
225.05511	1.0
227.03520	1.0
227.07124	2.6
229.01369	1.2
229.05138	2.1
231.06563	1.3
232.08907	0.7
235.07761	0.5
239.03558	0.9
240.04323	0.8
241.05099	0.8
246.10481	0.7
247.11308	1.1
254.05801	0.6
257.09799	0.8
259.07626	1.8
259.11261	0.8
260.08551	1.2
263.10880	0.6
272.06964	0.5
273.09341	1.9
274.10046	1.0
275.07297	0.9
275.10834	3.5
276.07953	0.9
276.10925	0.7
279.57501	0.6
287.07095	1.6
288.07907	1.8
290.09625	0.8
291.02988	0.7
291.10275	4.8
291.19968	0.6
301.08701	1.4
302.09378	1.0
303.06729	1.7
303.10361	5.6
304.03970	0.6
304.07437	1.1
305.08203	1.0
306.05301	1.2
307.09824	2.3
317.08118	0.9
318.08871	0.9
319.06064	1.0
319.09818	20.4
320.10172	2.3
329.08133	2.5
330.08847	0.8
331.06110	0.6
332.06842	1.5
333.07031	0.6
335.05664	0.5
335.09341	2.4
346.08435	1.9
347.09308	100.0
348.09634	11.8
349.07071	1.2
350.07986	1.6
350.11768	1.6
365.10349	85.5
365.13931	3.1
366.10718	10.5
366.14856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0886
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01261	4.5
61.98712	0.5
71.01250	0.8
72.99194	0.8
73.02838	0.9
81.51661	0.3
83.16673	0.3
85.02843	0.6
87.00791	2.0
87.54867	0.4
89.02346	0.6
96.95916	0.4
101.02326	0.7
103.00259	1.4
109.02873	0.4
113.02354	0.6
115.03931	0.4
125.02355	0.5
131.60548	0.4
135.04468	0.6
137.02341	2.5
145.02878	1.4
147.04411	0.6
149.06035	0.5
158.03683	15.0
159.04475	5.5
161.02393	1.1
162.03114	0.5
171.04474	2.1
173.02330	0.4
173.06076	0.9
174.03308	0.4
175.03964	0.5
177.09218	0.4
179.03468	2.3
180.03998	0.3
184.05247	0.4
185.05962	0.6
196.93095	0.4
201.01874	1.1
201.05602	2.8
202.02696	100.0
203.03149	8.4
205.08617	0.5
213.05551	2.6
215.03398	0.4
215.06987	0.4
217.08783	0.8
219.06708	0.5
231.06683	1.1
245.04575	1.3
251.09357	0.4
259.09686	1.1
269.04572	0.4
275.05798	2.1
277.10947	1.1
347.07770	0.4
365.08856	50.9
365.18951	1.8
366.09164	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	365.1036
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
59.01266	8.1
66.76289	0.5
70.25094	0.5
71.01260	0.5
71.51624	0.7
72.99961	0.4
96.95885	0.7
107.64292	0.5
112.68780	0.5
121.02848	0.9
131.04944	0.5
133.02885	0.8
148.01582	2.9
149.02367	0.9
149.06007	1.0
171.04488	0.6
173.06039	1.1
187.03967	0.5
192.95818	1.6
197.06114	1.0
199.03995	1.2
201.02002	0.8
213.05502	0.6
215.03494	1.8
217.05066	1.6
226.02707	0.9
227.03510	1.2
229.14464	2.3
239.03455	2.8
240.04323	2.7
241.05098	6.3
242.05592	0.6
243.03090	0.7
249.09212	0.8
261.05594	0.6
263.07251	0.7
265.08746	0.7
267.03003	1.5
271.02490	0.9
275.07156	1.0
277.04813	0.7
277.08676	1.5
279.06699	0.5
281.04532	0.7
289.05161	0.6
291.06577	1.1
291.19720	1.8
293.08313	1.5
303.06766	0.6
304.07489	0.6
305.08319	2.5
307.06256	1.4
309.04050	6.0
321.07855	3.2
321.11243	0.7
322.08371	1.1
327.21933	0.8
332.06802	2.4
333.07565	3.3
334.04547	0.6
335.05713	6.3
336.06018	0.6
347.09351	0.7
349.07230	22.6
350.08005	54.1
351.08371	6.0
365.10370	100.0
366.06491	1.0
366.10696	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	14.2
70.03661	3.1
71.01256	2.3
83.10689	0.9
85.02860	0.9
87.00801	0.9
93.03365	1.1
96.95850	0.9
98.19943	1.2
101.02340	1.0
113.02401	1.0
117.03348	1.2
121.02905	1.2
131.04926	1.0
132.02109	1.2
133.02904	1.8
134.03656	3.3
135.04451	7.6
145.02898	2.0
148.01595	3.6
157.06537	1.9
159.04407	2.1
163.00391	1.1
173.02399	1.3
173.06047	1.3
175.03844	1.3
185.06049	13.3
187.03893	2.2
188.04700	1.4
189.05557	1.2
197.06229	1.4
199.03957	1.9
201.02280	2.0
201.05489	1.4
211.03992	1.9
215.03578	1.9
216.04269	1.3
225.05539	2.1
225.72032	0.9
226.06351	3.1
227.03397	1.4
229.05110	1.3
235.07780	1.1
239.03430	1.3
241.05086	2.3
249.09236	1.7
251.03487	1.5
253.04959	1.7
254.05812	1.5
263.07193	1.6
265.08783	2.0
267.03073	2.9
275.07263	2.2
277.08743	3.8
278.06067	1.1
278.09357	1.0
279.03073	3.0
279.06351	1.3
280.07101	1.2
281.04739	2.1
287.07193	1.3
288.07999	2.0
291.10516	1.2
291.19775	1.9
293.04977	1.7
293.08282	9.8
294.08865	1.2
295.02530	2.1
303.10318	1.3
305.08267	2.9
306.08893	1.2
307.02682	1.7
307.06235	5.0
310.77295	0.9
319.05917	0.9
319.09741	1.0
321.04245	2.1
321.07675	9.6
322.08496	9.6
323.08820	1.3
333.07626	2.7
335.05603	3.1
337.07098	0.9
347.09329	50.1
348.09729	5.2
349.07312	5.0
350.04785	1.5
350.08017	74.7
351.08362	8.0
365.10388	100.0
366.10806	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	363.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48490	0.3
59.01265	100.0
60.01607	1.2
69.56676	2.2
71.01289	0.5
73.02853	0.6
98.20547	0.6
101.02334	0.3
102.16743	0.3
113.02383	0.4
121.57018	0.3
122.50103	0.3
125.69168	0.3
135.21126	0.3
169.78946	0.3
187.07622	0.3
201.11447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41588	4.1
59.01259	14.9
62.79958	3.5
71.01268	14.0
71.50456	5.0
75.00779	5.8
78.95795	30.4
85.02846	12.9
87.00766	7.1
87.07502	3.8
89.02325	5.2
96.95927	5.7
96.96850	11.8
99.00791	5.0
113.02383	20.6
121.19263	3.2
129.01875	6.1
138.95169	3.3
171.00565	3.9
247.06097	3.7
259.02359	8.6
267.07239	100.0
271.25519	3.6
359.78076	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	363.1098
Annotation	Inumakilactone A
Peak:m/z	Relative Intensity
52.90322	0.5
57.03320	0.8
59.01254	4.6
61.98722	0.8
67.80340	0.5
69.36930	2.5
69.37354	2.1
71.01263	1.3
71.04896	0.8
71.35075	0.5
87.00764	4.2
87.04420	0.6
93.03343	0.7
93.98609	0.5
95.04900	0.7
97.02870	1.3
98.20541	1.3
108.02053	1.0
109.06425	0.6
117.07008	0.6
119.04933	0.6
121.02102	0.5
121.02870	11.8
122.03185	0.5
133.02884	0.9
133.06531	1.4
134.03670	0.8
135.04448	12.0
145.02890	3.1
145.06595	0.9
147.04468	1.0
149.02379	13.7
150.02925	0.6
157.06554	1.3
159.04515	0.8
159.08075	1.2
161.02328	0.8
161.06049	1.5
163.03955	9.3
169.06570	1.3
171.04466	3.8
171.08037	0.8
172.05251	10.8
173.05991	2.3
175.07582	3.8
177.05482	3.0
185.06026	5.0
186.06749	3.9
186.82912	0.6
187.07617	100.0
188.04802	1.1
188.07951	6.2
189.05574	2.9
189.09146	1.3
191.07097	1.1
199.04112	2.7
199.07645	12.5
200.08037	1.3
201.05556	2.7
201.09235	2.1
202.06229	1.2
203.07115	25.8
204.04286	1.3
204.07399	1.8
205.47911	0.5
211.11237	0.9
213.05577	2.0
213.12733	0.9
214.06334	7.5
215.07138	1.0
215.10727	5.4
217.08669	2.5
219.06490	0.9
221.08221	0.8
224.08424	1.1
229.12354	1.9
231.02960	1.4
231.06700	1.2
239.10779	3.5
241.08627	0.7
242.09512	1.4
246.05382	2.6
247.06169	6.0
247.09952	0.7
257.11874	45.6
258.05377	3.2
258.12219	5.2
263.32770	0.6
275.09839	0.9
275.12979	5.6
283.09875	1.0
301.10873	73.6
302.11237	6.4
319.11932	46.4
320.12241	4.8
334.03461	0.9
345.10001	1.0
363.07510	1.3
363.10931	29.9
363.23914	9.3
364.11197	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	363.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.7
59.01260	4.3
68.56301	0.7
71.01270	1.2
71.51558	0.8
71.51965	1.4
83.01260	0.8
83.04940	1.0
85.02850	1.6
87.00780	2.2
90.37881	0.7
95.04939	0.9
107.04906	0.9
109.02868	1.3
109.35155	0.7
119.04929	1.4
121.02878	10.8
133.06499	1.9
134.03568	0.8
135.04456	12.3
144.05717	0.8
145.02890	2.7
145.06548	1.3
149.02382	13.8
151.03842	0.8
157.02852	0.8
157.06493	1.9
157.42212	0.8
159.04472	1.8
159.08041	0.9
161.02354	1.8
161.05997	2.6
163.03944	10.9
169.06548	2.0
171.04463	2.4
171.08162	1.1
172.05247	11.3
173.06015	2.6
174.43311	0.8
175.03868	1.0
175.07600	4.8
177.05545	3.0
185.06012	3.9
186.06830	3.9
187.07617	100.0
188.04799	1.6
188.07961	6.9
189.05507	3.2
189.09123	1.6
191.07158	1.1
199.03976	2.4
199.07643	13.9
200.08003	1.0
201.05556	3.2
201.09221	2.2
203.07115	29.6
204.04305	1.6
204.07465	1.4
211.11258	1.1
213.05580	2.5
214.06381	9.1
215.07066	2.0
215.10785	5.5
217.04912	1.1
217.08701	2.8
219.06642	1.0
224.08594	1.5
229.12375	2.0
231.06805	1.5
231.10287	1.8
232.07307	1.1
237.09242	1.7
239.10869	4.6
241.08701	1.1
242.09480	2.0
247.06030	5.0
257.11865	46.8
258.05420	3.7
258.12250	3.6
275.10214	0.8
275.12939	4.8
283.09821	1.3
291.12418	1.3
301.10880	71.0
302.11200	7.3
319.11929	47.0
320.12201	5.2
337.91141	0.8
363.07544	1.1
363.10959	30.6
363.16302	2.5
363.23895	6.3
364.11240	3.2
364.18918	1.4
364.23975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01590	2.6
70.44199	1.5
75.00749	2.7
82.35007	1.3
98.19821	2.7
116.79189	1.5
124.21465	1.6
137.10201	1.3
240.56943	1.3
259.06500	1.3
263.20209	10.7
301.16931	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	362.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	4.5
61.98716	100.0
69.28670	10.6
71.01267	1.4
98.19701	1.2
140.07098	1.4
151.00325	1.1
153.01920	1.3
189.09158	2.1
218.05037	0.9
269.68158	1.0
316.41507	1.0
361.29694	1.6
362.29950	1.2
363.14529	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	362.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01598	0.9
71.01271	0.7
71.06114	0.9
71.63786	0.3
88.39065	0.3
89.02347	0.4
96.94456	0.4
140.07104	72.7
141.07449	2.8
161.04549	0.4
168.09262	0.3
230.14195	0.4
277.38223	0.4
302.12534	2.6
362.14761	0.4
363.16446	0.4
368.98395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65591	0.7
59.01263	100.0
60.01594	1.4
71.01271	1.5
71.46660	1.6
75.54434	0.8
100.75462	0.8
140.07106	79.8
141.07431	2.7
146.75270	0.8
184.77229	0.8
192.02531	0.8
206.12013	0.8
251.32285	0.7
302.12582	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	363.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80471	0.6
59.01270	4.4
61.24578	0.6
63.09085	0.6
70.08414	0.6
70.19662	0.7
70.80039	0.5
70.87129	0.5
79.05398	1.1
84.22373	0.6
98.20616	1.3
107.04951	1.3
117.03397	0.7
123.04402	1.4
125.02367	0.6
125.86418	0.6
129.07010	1.6
131.04962	1.4
132.02106	1.5
133.02875	9.7
135.04413	0.8
155.04958	2.6
157.02917	1.1
157.06493	2.6
159.04434	2.6
173.06062	1.6
183.04488	1.6
199.04048	1.2
201.05516	1.0
216.40981	0.6
227.03510	1.5
229.99774	0.7
231.08153	0.8
245.09772	0.9
247.11244	0.9
263.10913	0.8
275.07254	1.0
287.07141	0.9
288.07977	1.3
289.08646	1.4
291.06763	0.8
291.10434	1.1
317.08273	15.6
318.08624	1.9
319.06213	4.6
333.07910	0.7
335.09326	25.1
336.09671	3.6
345.07758	3.3
347.05524	1.0
348.06305	1.0
363.08820	100.0
364.09134	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	360.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28483	0.8
59.01265	100.0
60.01613	1.4
60.13551	0.8
65.17705	0.7
69.30346	5.4
69.30759	2.5
71.01270	1.6
85.02837	0.8
98.19775	1.4
119.04961	1.6
121.12174	0.8
123.03236	1.7
138.05537	57.9
139.05890	1.6
161.04417	0.9
168.06641	1.0
169.19266	0.8
179.82674	0.9
180.06592	2.6
204.25543	0.7
242.18018	0.8
300.10959	26.8
301.11398	2.3
312.01193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1667
Annotation	Sauriol A
Peak:m/z	Relative Intensity
57.03329	0.8
59.01263	17.1
69.30051	4.5
83.04903	0.5
85.02849	0.8
86.42285	0.6
93.03339	1.9
109.02870	8.7
119.04900	1.0
121.02872	28.3
122.03675	17.4
123.04499	3.4
124.01588	2.5
129.03380	1.7
134.03647	1.0
135.04463	3.4
136.01634	0.7
136.05209	1.8
137.02365	5.3
146.03648	1.6
147.04456	10.7
148.05164	1.6
149.06003	2.0
150.03122	0.6
152.73570	0.5
153.01895	0.6
154.02672	4.1
159.04436	0.5
159.82175	0.5
161.05998	4.1
164.04710	1.2
165.05527	37.9
165.12814	0.6
166.05861	1.6
166.64304	0.4
173.06088	0.8
175.07533	1.1
176.88358	0.6
177.05606	0.6
178.06323	0.7
179.07101	14.2
180.07397	0.5
187.50085	0.5
191.07133	1.2
209.08203	0.9
209.11810	17.7
210.12152	1.6
223.09810	1.8
227.12834	1.1
273.33099	0.5
285.11276	0.8
294.38080	0.6
298.12213	0.8
301.10828	0.8
306.73666	0.5
313.14667	0.9
315.12427	4.6
316.13162	0.9
331.15555	0.5
346.14334	9.9
347.14526	1.5
361.16635	100.0
361.26129	2.1
362.16971	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	359.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
71.38297	0.7
75.71823	0.4
79.72554	0.4
99.08051	1.5
107.48360	0.4
129.09140	0.5
141.12762	1.7
155.11328	0.4
155.14384	0.8
194.37570	0.4
241.21765	0.7
269.21240	3.5
285.20770	1.5
287.22348	100.0
288.22720	7.4
315.21997	1.4
359.21069	0.5
359.27997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24973	0.5
53.27952	0.7
55.75618	0.6
59.01263	24.7
61.98695	0.7
70.00922	3.1
81.60404	0.6
100.15803	0.6
125.28087	0.7
132.32674	0.6
133.62088	0.6
137.06004	0.7
153.93156	0.8
209.54041	0.6
209.56094	0.6
277.21783	100.0
278.22104	9.2
293.79782	0.7
315.84494	0.6
359.22159	24.0
359.26465	1.4
360.22501	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	358.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90256	1.6
59.01254	4.5
61.76545	1.4
61.98718	100.0
69.88685	9.3
86.58289	1.5
90.11211	1.4
107.61549	2.0
137.05969	1.7
233.32147	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	358.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	100.0
59.57607	16.9
66.14533	14.3
71.50129	29.7
122.33548	18.6
137.06023	24.6
298.14716	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01589	1.4
60.06857	0.9
137.06024	1.4
181.73772	1.1
229.25484	0.9
229.27940	1.2
379.47324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55675	5.0
59.01268	73.6
67.68533	5.4
85.57178	5.5
93.19616	5.3
95.10810	5.6
98.20573	12.4
109.02911	11.5
121.02832	10.1
135.04427	33.5
148.89322	5.3
174.99144	7.6
201.02490	8.4
201.09160	27.4
217.00325	40.1
251.17114	6.0
323.12927	100.0
324.13162	8.1
359.18665	7.9
359.27963	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	359.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32724	1.7
57.03337	15.6
57.10806	1.6
58.00499	2.4
59.01262	18.5
61.98671	1.9
69.03345	4.3
69.88941	10.8
71.01270	9.4
71.04892	5.3
73.02819	8.1
81.03337	10.0
83.04904	18.3
85.02839	28.1
85.06441	2.3
87.04423	2.7
95.04910	13.2
97.02821	3.1
97.06497	9.6
97.90807	2.2
98.08418	1.9
98.20494	2.1
99.04422	4.2
101.05992	13.2
106.04165	2.6
109.02857	3.4
109.06486	4.5
110.03625	3.0
111.04410	10.9
111.08072	4.7
113.05958	4.7
113.09637	3.5
121.06488	5.1
123.08094	4.6
125.09610	10.7
127.11180	8.4
137.09599	2.2
139.07582	5.3
139.11189	2.0
148.21107	1.8
151.07573	4.0
153.09084	2.4
155.10663	3.2
157.08646	14.6
165.09184	3.8
169.08699	2.7
171.08778	4.4
171.10220	82.1
172.10527	5.0
177.12730	7.0
179.10732	2.4
180.62711	2.0
183.03674	1.7
183.10109	2.5
185.11789	22.0
193.12268	1.9
193.92780	2.0
195.13875	2.2
197.11801	7.5
199.09845	4.0
201.11301	85.6
202.11620	4.0
203.10748	2.2
203.14447	1.8
209.11758	13.2
211.13426	4.5
213.11337	15.5
215.12898	13.6
221.11841	28.1
222.12198	2.2
223.13388	10.5
227.12820	4.6
231.12346	6.1
235.13370	6.5
239.12898	52.9
240.13274	5.3
247.13283	13.8
249.15021	4.9
253.14500	5.1
257.13977	22.4
265.14526	7.2
268.26328	1.8
271.15494	5.2
281.17685	4.1
285.17068	4.1
287.16516	6.5
287.22256	3.0
305.17618	7.8
315.12631	2.7
323.18597	10.6
341.19702	48.1
342.20001	5.6
359.11343	3.7
359.20746	100.0
359.27420	13.5
360.21069	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	357.2652
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
59.00996	2.4
59.01265	33.8
61.98704	1.8
62.11808	1.5
71.57101	1.9
71.58527	1.5
81.55630	1.5
84.81454	1.8
121.02875	7.6
151.76436	1.7
163.03818	1.8
187.17529	1.5
187.78392	1.7
208.64268	1.9
269.90991	1.9
295.26456	20.3
296.27081	2.1
297.24402	86.7
298.24765	10.2
339.25659	2.2
357.26532	100.0
358.26984	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	357.3017
Annotation	1,2-O-(2'-hydroxyoctadecyl)-glycerol
Peak:m/z	Relative Intensity
59.01256	2.1
61.98724	0.8
71.04909	16.4
71.51851	0.9
73.02840	1.6
79.11765	0.5
95.01283	0.6
109.02852	1.8
121.02872	3.8
122.03638	0.6
138.97798	0.6
150.03169	11.2
175.33704	0.5
192.95758	0.9
211.76717	0.5
239.23839	3.7
256.92743	0.6
274.30392	0.7
281.24945	1.4
283.26450	1.3
293.28537	4.2
295.26450	8.2
296.26868	1.0
297.28073	14.3
298.28436	1.4
311.29587	1.1
339.29092	8.6
340.29483	1.9
348.81372	0.7
357.06110	0.7
357.30176	100.0
358.10800	0.6
358.30484	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	357.135
Annotation	5-Deoxykievitone hydrate
Peak:m/z	Relative Intensity
59.01250	1.8
65.03851	3.5
67.01772	1.0
70.91868	1.1
70.92205	0.7
71.01255	0.6
71.78571	0.5
73.02847	0.7
76.20460	0.5
83.01275	0.8
85.44431	0.6
91.05426	8.4
93.03352	2.0
95.01272	0.8
95.04896	0.6
100.55794	0.5
101.02341	0.6
101.75161	0.6
103.61544	0.5
105.06931	0.9
107.04919	0.8
108.02072	2.6
109.02856	36.5
110.03195	1.1
115.40970	0.5
121.02876	17.2
123.04388	0.8
133.02878	1.2
134.03671	2.8
135.04445	66.1
136.01584	0.9
136.04794	3.3
145.02821	0.6
147.04445	13.8
148.01547	2.2
149.06020	7.5
151.03931	1.6
152.72665	0.5
153.83940	0.6
157.06508	0.6
159.04440	1.5
160.05208	0.9
161.02365	7.4
161.05963	1.7
173.05998	1.0
174.03163	7.4
175.03949	3.6
175.07576	2.5
176.08112	0.6
185.06024	1.6
187.03943	2.6
187.07617	0.8
188.04738	9.6
189.05362	1.3
190.06316	15.1
191.07121	5.8
197.02769	1.0
199.07639	1.7
201.05501	1.2
201.09190	1.5
202.06364	0.8
203.07114	44.8
204.07431	3.0
205.08669	4.4
207.08235	0.7
211.07530	0.7
214.06360	1.2
215.07060	0.8
216.07973	0.8
217.08694	21.9
218.09117	1.1
220.03702	5.7
223.07573	0.7
225.05421	0.8
225.09120	1.5
227.07140	0.9
229.08691	7.3
241.08763	0.9
250.06606	0.8
251.07135	1.4
253.05132	2.4
254.05966	3.1
255.06569	1.0
268.07391	0.8
269.08276	1.8
269.11847	0.7
281.04559	0.8
295.13052	0.9
296.06946	7.5
297.07779	0.6
297.11380	1.1
321.11304	1.8
324.10120	0.8
339.12427	100.0
340.12762	10.7
357.09836	1.1
357.13458	8.2
357.17569	3.5
357.22342	0.7
357.26495	2.2
358.13770	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	357.0987
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
59.01257	0.4
65.03811	0.2
67.01772	0.6
85.78880	0.2
91.01804	0.4
93.03358	0.6
97.06448	0.3
102.70115	0.2
103.05437	0.8
108.02084	0.6
109.02843	0.8
115.05428	0.4
119.04965	0.5
119.32883	0.2
121.02865	0.6
123.04475	0.6
131.04956	0.5
132.02129	0.4
133.02876	4.1
133.06561	0.3
135.04451	2.9
143.04967	0.3
147.04459	0.7
149.06004	0.3
152.01111	0.4
159.04482	0.5
161.02367	0.5
163.82675	0.2
175.03995	0.6
177.05537	0.7
181.06532	0.3
183.01154	0.7
187.03972	0.3
190.06209	0.3
191.03471	0.3
194.07275	0.2
195.06685	0.3
197.02750	1.8
197.06026	0.4
197.09383	0.2
203.03395	0.3
203.07077	0.6
206.07367	0.5
209.06099	0.7
209.15311	0.3
211.04192	0.3
221.09717	0.4
222.06757	0.4
223.07658	0.3
225.05727	0.3
225.09143	0.4
235.07693	0.2
237.05505	0.4
237.09227	0.5
238.06332	0.3
239.07285	0.3
249.09308	0.4
250.06351	0.4
251.07095	0.7
253.08733	0.9
263.07257	0.5
264.07965	0.4
265.08768	1.3
266.05884	0.4
267.06595	0.4
268.07370	0.4
269.11032	0.2
277.08768	0.8
279.06595	0.5
281.04816	0.5
281.08145	0.8
282.05328	0.3
287.22318	0.9
293.04568	0.6
294.05325	0.5
295.06113	0.4
296.06873	0.5
297.07745	9.4
298.04962	0.3
298.07956	1.1
307.06161	0.7
309.07751	28.2
310.08118	2.9
311.09271	0.6
321.07751	20.9
322.08044	2.0
325.07278	0.5
326.07938	0.3
327.08771	7.4
328.09152	0.5
329.79688	0.2
337.07169	1.3
339.08823	22.3
339.12350	1.2
340.09232	2.6
340.12973	0.5
355.08276	1.5
357.09882	100.0
357.17368	5.3
358.10260	10.2
358.13513	0.3
358.17780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.8
59.01263	1.6
65.03843	2.4
67.01762	1.1
69.23526	6.8
75.90269	0.6
79.79323	0.6
79.80605	0.5
81.19062	0.8
85.02837	0.7
87.57455	0.6
91.05431	5.8
93.03360	2.3
93.06982	0.6
95.94434	0.6
103.05387	0.8
108.02071	2.1
109.02863	21.7
119.04939	0.7
121.02866	13.9
123.04482	1.0
127.03358	0.6
133.02876	4.9
134.03680	1.5
135.04445	41.5
136.04807	1.4
145.02911	0.7
147.04469	7.8
148.01613	1.2
149.02419	0.7
149.05989	4.3
159.04436	1.5
161.02397	6.1
161.06013	1.0
162.03163	0.8
174.03149	5.1
175.03964	2.3
175.07587	1.8
177.05536	1.5
180.02211	0.7
185.05962	0.8
187.03983	3.0
187.07643	1.0
188.04787	5.9
190.06316	9.0
191.07137	3.1
195.06535	0.8
197.02744	1.0
199.07658	1.0
203.07112	30.0
204.07455	1.4
205.08694	4.7
207.08130	0.7
214.06361	1.0
217.08707	12.9
220.03787	2.2
222.06784	0.6
223.07652	1.0
225.09216	0.9
229.08742	5.8
241.05054	0.7
250.06340	1.0
251.07074	1.8
252.07753	0.8
253.05142	1.6
253.08653	0.9
254.05890	1.8
265.08621	1.3
269.08282	2.2
277.08762	1.4
295.06088	0.8
296.07034	6.2
297.07687	9.3
297.10779	1.2
309.07767	25.9
310.08072	3.6
313.07242	0.8
321.07718	19.6
321.11087	1.2
322.08093	1.9
324.10129	0.7
325.07260	1.1
327.08853	6.7
337.07245	0.8
339.08734	20.2
339.12445	70.9
340.09061	2.4
340.12805	8.9
355.08411	1.4
357.09860	100.0
357.17389	2.7
358.10202	12.1
358.14297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0622
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.58287	0.1
59.01260	1.1
60.72810	0.1
60.80611	0.1
65.03822	0.1
70.39250	0.2
70.39616	0.5
75.00704	0.1
77.03860	0.2
87.22728	0.1
93.03338	0.3
98.20513	0.2
109.02852	0.3
112.36161	0.1
118.88551	0.2
121.02869	100.0
122.02346	0.4
122.03195	4.2
123.04465	0.2
135.04474	0.2
165.01859	1.3
180.05727	1.6
181.06552	6.9
182.06892	0.5
197.06174	0.2
199.07735	0.2
225.05577	5.0
226.05882	0.4
269.08237	0.3
271.07278	0.7
285.20865	0.2
295.06241	0.3
307.06070	0.3
313.07236	8.6
314.07462	0.9
325.07254	0.6
357.06223	38.1
357.17377	0.7
357.22836	1.1
357.26663	0.7
358.06577	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	356.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	72.9
61.98730	30.7
64.53098	16.4
69.61953	16.4
69.81518	100.0
71.01270	20.7
76.71579	19.8
89.02380	20.5
121.02879	34.1
200.63077	16.3
356.28946	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0625
Annotation	Phellinsin A
Peak:m/z	Relative Intensity
57.03348	0.5
58.65289	0.3
59.01261	0.9
59.72004	0.3
60.00785	0.3
69.41013	1.6
69.41455	1.2
79.01790	0.8
91.05418	0.3
93.06990	0.4
97.02843	0.5
97.06410	0.3
105.03381	0.7
108.02094	0.4
109.02843	0.6
119.89744	0.3
121.02870	1.7
122.98943	0.4
123.04453	0.6
133.02898	0.5
135.04448	2.1
136.01569	0.9
137.02367	1.0
143.31689	0.3
147.04497	0.4
148.01595	5.5
149.02376	1.3
150.03149	0.4
151.04002	0.4
158.03694	0.4
161.02420	1.0
163.00291	0.5
165.01895	2.4
167.03426	0.6
171.10204	0.6
172.05157	0.4
183.01257	0.5
183.04341	0.3
184.50183	0.3
188.01138	0.6
189.01906	1.5
189.80046	0.3
190.02634	1.2
197.02748	1.7
197.06081	0.9
199.03906	0.4
209.06070	0.8
209.15546	0.4
211.04131	0.7
213.05504	1.6
214.06323	1.6
214.99754	0.4
225.05566	3.7
226.06274	1.7
227.03481	1.0
228.04288	0.5
237.05672	0.6
239.03464	0.3
241.05048	7.9
242.05765	1.5
253.05089	3.1
254.05823	1.5
255.03012	0.8
257.08359	0.7
269.04617	8.9
269.07745	0.5
270.05304	3.9
280.03784	0.6
281.04608	1.6
283.02570	0.9
287.09320	0.4
297.04111	7.8
298.04877	100.0
299.05240	9.0
313.07236	84.1
313.14563	0.4
314.07620	8.2
324.02908	0.5
339.05203	1.2
339.12488	0.5
340.05295	0.4
357.06216	27.9
357.13461	2.4
357.17529	7.0
357.22821	0.9
357.26642	0.5
358.06610	3.0
358.17868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2286
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
55.81601	1.0
59.01266	5.0
61.49425	0.9
61.53320	1.0
65.06905	0.9
71.01234	1.2
71.23118	2.4
71.32927	0.9
78.62594	1.1
85.02850	2.6
91.57095	0.9
94.47982	0.9
99.69447	1.0
107.04945	1.2
109.02872	2.8
111.00793	1.2
118.60428	1.0
122.03647	9.1
127.07580	2.6
135.04437	24.7
136.01585	2.5
147.08124	1.3
149.06009	1.3
149.09657	7.8
151.07600	2.7
154.02666	1.6
161.09656	9.3
163.07640	2.7
163.11232	50.6
164.08389	15.3
164.11603	2.6
165.09169	9.9
177.09163	66.7
178.09930	19.9
179.10733	62.0
180.11078	3.3
183.10306	1.6
187.11229	1.2
191.10744	10.1
193.07097	1.7
193.08662	8.9
207.60414	1.0
225.01503	1.0
280.14505	2.4
281.15607	1.0
298.15796	44.5
299.16187	4.5
307.16977	2.2
309.22766	1.2
313.21619	1.3
321.18658	1.2
322.19485	1.3
337.21814	50.7
338.22198	7.5
340.20483	92.2
341.20773	12.7
355.22858	100.0
356.23233	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	356.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20600	1.6
59.01269	4.5
60.68705	1.5
61.98714	100.0
71.51709	2.0
84.17112	1.6
98.14254	1.7
121.02896	3.5
169.54396	1.6
193.55772	1.6
216.10019	1.7
356.28870	3.1
357.05966	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	355.1559
Annotation	3-Hydroxy-9-methoxy-10-(3-hydroxy-3-methylbutyl)pterocarpan
Peak:m/z	Relative Intensity
59.01266	4.2
62.51043	0.4
65.03846	4.0
67.01775	1.5
69.95306	1.3
69.95699	0.9
71.01260	0.8
89.02341	0.8
89.99961	0.4
91.05433	13.1
93.03343	3.2
101.02374	0.5
102.71329	0.4
104.18613	0.5
107.04958	1.1
108.02094	2.5
109.02860	54.5
110.03228	1.6
110.85904	0.4
119.04946	0.5
121.02872	16.8
129.83142	0.5
133.02824	1.2
135.04446	100.0
136.04793	3.9
147.04465	5.7
148.05168	0.7
149.06013	1.5
153.02997	0.5
159.04459	1.9
160.05234	2.6
161.06082	0.6
172.05235	0.5
173.06023	3.2
174.06775	1.4
175.07642	3.8
185.06070	1.5
187.07623	1.2
188.08369	1.0
189.09225	5.9
193.07095	0.7
197.06053	0.9
199.07643	4.4
200.08423	6.3
201.05692	0.6
205.08646	0.5
212.08382	0.9
213.09239	2.9
215.10774	17.7
216.11171	1.4
223.07742	0.5
225.05431	0.7
233.11841	5.8
234.12285	0.8
237.09166	0.9
238.09904	1.0
239.07207	0.7
239.10809	0.5
253.05202	0.7
253.08916	0.7
254.09525	0.6
260.12006	0.8
263.07217	0.7
263.10934	0.9
264.07956	0.9
267.06631	2.3
269.15436	0.7
278.13037	0.7
279.10397	1.0
280.11002	0.7
281.08234	3.8
282.08917	1.4
294.12787	0.5
295.13477	0.6
297.11389	47.9
298.11728	4.4
304.10999	1.6
305.12000	0.7
307.09814	3.2
319.13486	1.2
321.11383	1.0
322.12137	2.3
337.14520	80.7
338.14871	10.1
355.08459	0.7
355.15814	7.2
355.24951	1.0
356.09033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1558
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
53.99817	0.7
65.03844	2.8
69.46508	0.6
70.55953	2.1
70.56313	0.8
76.13815	0.8
91.05427	13.9
93.03361	2.1
105.37247	0.8
108.02003	0.8
109.02856	25.6
121.02864	13.2
123.04404	0.9
128.41606	0.7
133.02777	0.8
135.04445	100.0
136.04749	3.5
137.02373	1.1
140.04703	0.7
147.04451	2.1
150.03227	1.0
151.03947	3.3
162.03291	0.8
163.03949	8.7
175.03992	6.6
175.07594	1.3
177.09079	0.9
187.07617	1.1
189.05539	2.6
189.09052	0.8
190.06157	0.8
191.07138	2.8
192.07993	1.6
203.07117	6.6
203.10797	0.8
204.07927	14.1
205.08638	7.9
206.09474	12.2
207.10052	2.5
217.08621	3.3
218.09479	20.8
219.10065	2.8
220.07326	2.1
230.09366	1.5
231.10295	7.4
232.10574	0.8
233.11850	16.6
245.12071	1.0
270.05374	1.1
271.06210	2.0
279.06516	1.2
297.07770	5.7
322.12274	1.2
323.12906	2.6
325.10876	2.1
339.12500	1.3
340.13187	15.7
341.13651	1.4
355.15582	94.8
356.15948	9.8
358.73138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63680	0.5
55.41431	0.5
59.01264	0.7
69.81697	1.7
69.82098	1.4
70.57050	0.5
87.55839	0.5
98.19803	0.8
108.02097	1.3
109.02844	2.6
110.00008	1.4
111.00806	1.8
121.02863	5.1
122.03664	3.8
123.00816	5.2
123.04424	1.2
124.01583	12.8
125.02378	2.7
129.33540	0.6
133.02884	1.3
134.03667	9.3
135.04459	8.2
136.01590	1.5
137.02374	20.1
138.03105	0.8
139.03934	1.9
147.04466	8.3
148.01540	0.9
148.05174	0.7
149.02386	24.6
150.03168	27.6
151.03954	22.9
152.04309	1.0
160.05159	1.0
161.02347	0.9
161.06059	1.2
162.03162	1.3
163.03969	11.1
164.04643	1.1
165.05539	3.8
173.06062	1.4
175.03975	0.6
175.07556	2.3
177.05524	1.4
177.09157	8.7
187.07913	0.8
188.08331	0.9
189.09183	28.7
190.09785	3.7
191.10774	1.0
193.08722	0.8
199.07634	1.0
201.05515	0.7
203.10754	9.6
203.29034	0.5
204.11143	0.7
211.07594	1.2
215.10773	2.8
253.08862	0.7
253.12389	1.0
254.13089	1.0
256.03821	1.1
269.04745	0.7
271.06155	5.1
277.12296	0.6
297.07794	1.7
297.11176	0.7
298.07550	0.5
323.12988	2.3
324.13452	0.8
325.10822	3.8
340.13214	100.0
341.13568	11.0
355.11780	1.7
355.15579	39.5
356.15900	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	355.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	3.5
61.98700	0.7
65.03853	3.9
67.01773	1.3
69.25383	1.9
69.25803	3.8
71.15335	0.5
80.35188	0.5
84.90385	0.5
89.02330	0.7
90.79500	0.5
91.05430	10.5
92.45979	0.6
93.03367	2.3
101.02354	0.8
107.04892	0.7
108.02073	3.5
109.02862	45.7
110.03205	1.3
119.04951	4.2
121.02872	30.4
122.03110	1.1
123.04384	1.0
125.02380	5.4
133.02887	1.7
134.03716	0.7
135.04449	79.7
136.04779	3.2
138.12637	0.5
140.18599	0.6
147.04453	11.9
148.04973	0.7
149.05998	1.4
159.04448	3.1
160.05237	0.9
161.06032	2.2
162.03244	0.5
162.06775	0.5
163.03905	2.5
173.06053	2.4
174.06775	0.9
175.07597	2.2
176.08385	0.7
181.06470	0.7
185.06079	0.7
187.07596	2.2
188.08389	5.5
189.05624	0.6
189.09134	1.4
192.51292	0.5
197.02806	1.0
199.07666	1.5
200.08371	1.7
201.05508	0.6
201.09175	2.9
203.07219	0.9
204.07797	1.0
205.08705	0.9
206.09467	1.3
207.10277	4.0
213.09216	2.0
215.10802	2.3
218.09444	1.5
219.69490	0.6
225.05544	1.0
231.10274	0.8
233.11845	8.9
234.12233	0.8
237.09195	1.5
239.07101	1.0
251.07051	0.5
253.05052	0.6
253.09195	0.8
254.13200	0.6
263.07358	0.6
263.10831	0.8
269.08304	0.9
278.13129	0.6
279.10519	0.6
279.13803	0.9
281.08237	3.9
281.11786	0.9
287.16748	1.1
295.09940	1.5
297.11316	2.6
298.12036	0.9
305.11810	0.8
307.09955	1.3
310.12222	1.0
311.09344	16.9
312.09561	2.7
322.12097	2.3
323.12817	2.4
325.10818	1.3
337.10724	0.8
337.14508	9.1
338.14728	1.0
340.13144	2.3
355.08267	10.0
355.15582	100.0
356.08640	1.6
356.15891	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	355.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25980	0.5
56.57284	0.4
58.51355	0.5
59.01259	3.2
61.98703	0.7
63.93036	0.5
65.03848	3.3
65.99007	0.4
67.01771	0.8
68.60279	0.5
69.60681	0.5
71.01260	1.0
74.88349	0.5
85.18432	0.5
91.05424	11.6
93.03349	2.9
98.20557	1.7
107.04923	0.7
108.02081	2.8
109.02857	41.9
110.03204	1.1
114.18450	0.5
118.14603	0.5
119.04974	0.6
121.02869	15.8
123.04450	1.4
133.02881	3.0
134.03665	0.5
135.04446	80.9
136.04776	3.6
146.08511	0.5
147.04453	17.9
148.01538	1.7
148.05211	1.9
149.02330	0.6
149.05981	1.1
156.56512	0.5
159.04449	1.1
160.05374	0.5
161.02383	3.5
161.04575	0.5
161.06056	1.5
163.03981	2.7
175.03908	0.8
175.07523	0.6
176.08214	0.6
179.06952	0.6
185.06084	0.5
187.07562	2.4
188.04713	0.5
189.05482	1.1
191.10721	2.1
192.07924	1.7
193.08704	0.6
199.07663	1.6
201.09274	1.4
204.07793	0.7
205.08693	1.7
207.08253	0.9
207.10179	4.6
209.05945	0.7
211.07669	0.5
213.09192	1.0
217.08722	0.6
218.09456	6.7
219.10287	9.0
225.09190	4.9
227.07109	3.5
229.61702	0.5
230.09485	1.0
231.10274	2.2
233.11865	13.6
234.12167	1.4
239.06886	0.5
240.04396	0.8
241.08647	1.2
245.11734	1.2
251.07101	2.7
252.07983	0.7
254.05998	2.5
255.06483	1.6
267.06644	3.0
269.08240	12.3
270.08646	1.3
270.12714	0.9
279.06696	5.5
287.16351	0.8
298.12204	0.8
305.11877	1.0
313.14554	0.6
322.12057	1.9
323.12851	1.1
325.11038	2.7
326.11093	0.8
327.16129	0.6
337.14523	11.1
338.15134	0.8
340.13254	4.1
355.15576	100.0
356.15869	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	355.1559
Annotation	Glyasperin C
Peak:m/z	Relative Intensity
50.06921	0.4
51.67237	0.3
59.01267	0.7
65.03846	3.1
67.01775	0.8
71.46459	0.6
73.00015	0.3
74.13362	0.3
75.52439	0.3
91.05424	12.4
93.03365	2.5
95.01312	0.3
103.05419	0.4
104.98123	0.3
107.04950	0.7
108.02094	3.8
109.02858	41.7
110.03194	1.1
119.04909	0.5
121.02872	16.4
122.03715	1.8
123.04437	2.6
133.02876	4.1
133.06535	0.5
134.03677	5.9
135.04443	100.0
136.01570	1.3
136.04729	4.0
137.06006	1.1
143.73621	0.3
147.04443	22.1
148.05260	4.1
149.05980	0.3
150.06792	0.8
159.04527	0.9
160.05220	1.4
161.06029	2.4
162.06799	1.8
163.07571	1.3
171.22261	0.3
173.06035	0.4
182.05820	0.7
183.08133	0.5
185.06067	0.6
187.07620	0.4
194.05772	0.6
197.09689	0.3
199.06137	0.3
199.07552	1.6
200.08368	0.8
201.09175	1.7
207.08145	0.8
207.10258	2.1
210.06799	1.0
211.07588	1.1
215.10689	0.4
223.07652	0.5
224.08340	0.4
225.09204	3.3
226.09845	0.8
226.68456	0.3
227.07140	2.6
228.07858	1.0
233.11836	10.3
234.12178	1.1
241.05095	0.3
241.08701	1.0
243.10320	0.4
251.07118	2.9
252.07924	2.3
253.08707	0.8
254.05864	4.5
255.06601	4.1
255.10326	1.0
265.08719	0.4
267.10336	0.7
269.08234	21.4
270.08844	4.9
283.09763	2.5
284.07114	0.3
284.10645	0.8
285.11404	5.5
286.11664	0.5
288.80591	0.4
289.92221	0.3
315.43021	0.3
327.15991	0.3
337.14471	1.3
355.15564	97.6
356.15887	11.9
356.20349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.0
64.42979	0.3
65.03855	1.0
67.01793	0.6
71.36063	0.5
89.03844	0.4
91.05437	0.7
93.03359	2.0
95.04938	0.8
95.54137	0.3
108.02081	2.1
109.02867	8.5
117.03393	0.4
119.04909	0.3
121.02872	100.0
122.03173	3.3
123.04439	3.2
133.02881	23.7
134.03302	1.0
135.04442	4.9
137.02377	0.7
137.06015	0.6
145.02888	1.4
147.04449	5.4
148.01616	0.5
149.02386	0.9
150.03181	0.9
157.02916	0.9
159.04459	0.8
161.02390	14.7
162.02725	0.3
163.03981	0.6
168.46115	0.3
172.01564	0.4
173.02391	1.2
173.06050	0.7
174.03210	1.3
175.03966	12.4
175.07440	0.4
176.04373	0.6
182.02161	0.6
183.04414	0.3
185.02464	1.1
185.06024	0.5
187.04001	0.7
187.07561	0.8
188.01186	0.3
188.04773	0.7
193.08736	0.6
195.08153	0.3
197.02756	0.4
197.06107	0.9
199.07565	0.6
202.89705	0.3
203.07143	1.3
209.06294	0.4
211.03960	0.4
211.07661	0.7
213.05598	1.0
215.07101	2.4
221.06052	0.3
222.06651	0.4
223.07657	1.4
225.05544	0.9
225.45035	0.3
227.07153	1.4
228.04227	0.3
233.08188	2.1
237.05756	0.6
239.07109	0.8
241.05067	0.6
245.04771	0.4
249.05641	0.6
251.03587	0.4
253.05106	1.0
254.05867	1.3
255.06729	1.5
265.05109	0.4
266.05887	0.9
267.06689	4.4
268.03870	1.2
269.04953	0.3
269.08133	0.3
279.06656	7.4
279.70572	0.3
280.07080	0.8
283.06192	15.5
284.06808	2.5
284.17639	0.3
285.04645	0.4
285.07663	1.8
293.04663	0.9
294.05383	3.5
295.06268	0.6
295.09818	0.8
297.04379	0.7
297.07672	5.1
311.12799	0.3
319.09869	1.0
322.08490	0.4
337.10852	6.6
337.14590	0.5
338.11093	0.6
340.33978	0.4
355.08340	2.0
355.11945	38.5
355.15735	3.9
355.25006	0.9
356.02533	0.5
356.12262	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	355.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32018	0.2
56.14877	0.2
57.03337	5.9
59.01259	0.9
61.98718	8.0
65.03850	0.6
65.93813	0.2
66.78870	0.2
67.01755	0.2
69.03348	0.3
71.53712	0.3
73.02830	0.2
76.80365	0.2
81.03356	0.9
83.01267	1.6
83.04930	0.3
91.05423	0.6
93.03367	0.3
107.04941	1.0
107.08564	2.5
108.02083	0.3
109.02863	3.5
109.06503	7.9
110.06816	0.3
113.02343	0.3
121.02888	1.0
121.06494	0.3
122.03643	0.4
123.04445	0.6
124.01582	10.1
125.02439	1.1
125.09642	6.8
126.09914	0.3
133.02879	5.5
133.06529	0.4
135.04451	3.8
137.02364	2.4
138.03127	0.5
147.04401	0.3
147.95662	0.2
148.01636	0.3
149.02376	0.9
149.06001	1.1
149.09660	12.9
150.03166	4.3
150.09973	0.5
151.07590	5.8
152.07927	0.5
154.13953	0.2
154.37610	0.2
159.04449	0.6
161.02386	48.9
162.02747	2.2
165.09291	0.2
173.06041	0.2
177.05545	2.9
193.08675	100.0
194.09006	5.7
201.05615	0.3
205.48729	0.2
217.05492	0.2
233.08202	0.9
233.11758	0.3
237.09122	0.3
245.08170	1.1
269.11679	0.3
281.08154	1.0
355.11917	40.8
355.15588	3.4
356.12216	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.7
61.97640	0.5
61.98696	0.4
65.03853	1.9
67.01784	0.9
69.50945	0.5
70.08714	1.8
71.01266	1.0
73.02834	0.5
75.25487	0.4
85.02815	0.5
86.45924	0.4
91.04905	0.9
91.05431	8.9
93.03354	2.0
98.19891	0.7
101.02343	0.5
108.02068	1.4
109.02858	23.1
110.03227	0.6
111.04484	0.6
113.93166	0.5
119.08606	0.6
121.02873	4.4
123.04388	0.6
133.02863	1.5
134.03680	1.2
135.04448	58.8
136.04787	2.7
137.02383	0.7
143.08636	0.5
147.04434	3.6
149.02364	1.0
149.06000	0.5
150.03136	1.0
158.94818	0.5
161.02400	1.7
161.04507	0.6
161.05945	1.1
163.03935	0.9
163.07631	0.6
171.08119	0.6
172.05196	1.0
173.06029	2.3
174.03244	0.7
175.03983	1.6
175.07588	1.2
187.04010	0.9
187.07608	8.9
188.04805	0.6
188.07967	0.8
189.05531	0.6
189.09171	1.7
191.07101	0.7
193.08650	1.0
197.06058	0.8
199.07762	0.5
203.07173	2.3
207.06630	3.7
215.07082	2.4
217.08658	0.7
219.06606	4.5
227.06952	0.6
233.08199	32.1
234.08521	1.6
239.07158	0.6
241.05141	0.6
245.08217	2.3
257.08243	4.0
258.78076	0.5
267.06613	0.9
269.08682	0.5
269.12048	0.5
293.21304	0.5
295.10110	0.5
309.11404	1.9
311.13034	0.5
325.10959	0.5
327.12216	0.5
337.10852	1.4
340.13406	2.1
354.30609	0.5
355.11926	100.0
355.15393	4.5
355.24887	1.4
356.12302	8.9
356.16504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07128	0.3
55.19635	0.3
57.03336	18.9
59.01271	2.6
60.98527	0.4
71.01270	0.9
73.02792	0.3
81.03342	2.5
83.01270	8.8
84.92834	0.3
85.02828	0.6
101.02345	0.4
105.11044	0.3
109.02859	0.7
119.03450	0.3
121.43980	0.3
123.44198	0.4
125.02364	100.0
126.02687	2.9
128.04288	0.3
134.03683	0.4
135.04456	1.1
137.02388	0.5
146.03680	1.5
165.01900	2.5
174.03168	5.2
175.03616	0.5
177.01880	2.2
177.09177	1.2
178.02676	0.8
179.61450	0.3
182.61043	0.3
189.09229	0.7
197.02736	0.6
206.02193	3.3
206.99780	0.6
217.04965	0.5
221.29729	0.3
225.14906	0.4
225.93071	0.4
229.08710	32.8
230.09084	2.7
349.95428	0.4
355.11954	30.2
355.15561	1.6
355.19489	1.5
355.24261	1.7
356.12268	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	355.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56122	0.4
57.03092	0.6
57.03339	7.5
59.01264	5.5
59.12923	0.5
71.01244	0.8
71.04907	0.5
71.51251	0.6
78.67661	0.5
81.03335	1.5
83.01284	2.1
83.04888	0.9
85.02849	0.7
88.21197	0.5
88.25368	0.4
91.01780	0.4
91.05441	0.7
107.08603	2.9
109.02871	1.7
109.06509	8.0
121.02875	1.0
123.04443	1.4
124.01588	13.2
125.09638	8.2
129.19952	0.4
133.02875	7.1
135.04483	1.2
137.02385	2.9
138.03230	0.6
149.02328	1.0
149.05997	0.8
149.09662	15.8
149.10852	1.0
150.03178	4.6
150.09998	0.7
151.07599	8.2
158.60066	0.5
159.04506	0.9
161.02394	67.0
162.02730	3.1
177.01810	0.4
177.05573	2.3
180.79295	0.5
193.08682	100.0
194.09053	5.4
197.02809	0.5
217.08694	1.5
225.14966	0.8
233.08263	1.3
245.08249	1.7
264.64511	0.5
267.19675	0.8
355.11926	55.5
355.15726	2.7
355.19604	1.4
355.24698	4.1
356.12302	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	355.1045
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
51.80708	0.4
58.00474	0.4
59.01266	8.6
60.34986	0.3
64.35116	0.3
69.58423	2.0
69.58841	0.6
71.01271	5.5
71.01633	0.5
72.99195	0.6
85.02852	1.3
87.00773	0.3
89.02335	3.2
95.01277	0.5
98.19883	0.5
101.02348	2.5
113.02337	1.7
119.03419	0.8
121.02869	0.4
132.02092	10.7
134.03673	8.2
135.04535	0.4
147.04454	0.5
149.02269	0.4
149.06059	1.8
151.03964	1.3
160.01607	61.1
161.01971	3.0
163.03894	0.5
173.70877	0.4
174.03166	0.5
175.03961	100.0
176.04321	5.7
177.01932	0.4
179.01804	0.3
191.03441	1.7
191.07117	2.0
193.05037	15.8
194.05383	1.0
202.02643	0.7
206.05872	1.1
207.06592	0.7
217.05045	5.8
218.05342	0.6
221.08208	1.4
221.12025	0.4
235.06186	3.0
265.07330	0.9
280.92477	0.3
295.08221	1.8
337.09561	0.3
354.23242	0.4
355.06326	0.5
355.10385	6.9
356.10797	0.5
377.04889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1192
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.93212	0.4
54.27906	0.4
57.03357	0.5
59.01270	2.4
59.97718	0.3
65.03849	0.9
67.01755	0.9
69.60271	1.1
69.60696	1.8
72.11575	0.4
74.45722	0.4
77.62733	0.4
81.29485	0.4
83.04951	0.5
91.05420	1.2
93.03360	2.5
93.03859	0.4
95.04913	0.9
101.02353	0.4
108.02094	1.8
109.02866	10.5
121.02872	100.0
122.03136	2.9
123.04453	3.5
133.02882	19.2
134.03630	0.5
135.04448	10.7
135.49815	0.4
136.04768	0.5
145.02901	1.4
147.04469	6.1
148.01639	0.6
149.02422	2.0
149.06046	0.4
150.03139	1.0
153.90590	0.4
157.02882	0.9
161.02383	12.6
161.06006	0.4
163.04007	0.4
173.02444	1.3
174.03180	1.4
175.03978	9.9
175.07588	0.6
176.04378	0.5
182.02231	0.5
185.02371	0.8
185.05980	0.5
187.04192	0.4
187.07587	0.5
188.04701	0.7
193.08759	0.9
197.02713	0.5
197.06059	1.0
199.07660	0.9
203.07074	0.8
206.25447	0.4
210.06689	0.6
211.17101	0.6
212.04771	0.7
213.05528	0.8
214.06285	0.5
215.07146	1.8
220.03758	0.5
220.60860	0.4
223.07593	0.8
227.07182	1.3
233.08197	1.9
233.11891	0.9
237.05553	0.4
239.07191	1.0
251.07298	0.6
253.05247	0.9
254.05844	1.7
255.06664	1.6
266.05920	0.8
267.06689	3.1
268.03723	0.5
269.05511	0.6
269.08176	2.4
270.05276	0.5
279.06641	8.6
280.07004	0.5
283.06226	12.4
284.06747	1.9
285.07867	0.9
285.11127	0.4
289.08600	0.4
294.05429	2.8
295.05872	0.7
295.09561	0.6
297.07739	4.0
319.09766	0.7
337.10901	5.1
355.11905	28.0
355.15744	9.4
355.24890	1.4
356.12308	3.6
356.16068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	0.6
59.01263	9.2
64.82090	0.6
65.00224	0.8
69.03304	0.7
71.01263	5.6
71.51015	0.8
85.02850	1.6
89.02319	3.2
96.95930	0.6
101.02350	2.4
107.01218	0.6
113.02343	2.4
119.03399	1.7
121.02878	0.9
123.00809	0.6
125.02365	0.8
132.02083	11.8
132.02991	1.0
134.03651	11.2
135.04366	0.6
137.02409	0.8
147.04417	0.9
149.02441	1.3
149.06036	2.5
151.03893	0.9
160.01604	63.8
161.02000	2.4
161.04488	0.7
163.03951	3.1
165.01819	0.6
175.03958	100.0
176.04305	5.8
177.01834	1.0
178.02704	1.4
191.03471	11.9
191.07072	1.9
192.03784	0.8
193.01410	4.7
193.05019	21.4
194.05400	1.2
203.03432	0.6
205.01347	0.7
206.02150	0.9
206.05843	7.3
207.06479	0.7
217.05069	6.6
218.05453	1.0
221.08191	10.3
235.02516	8.7
235.06149	3.2
251.09335	0.7
265.03564	2.0
265.07248	2.2
295.08304	2.7
355.06656	6.0
355.10468	10.6
356.10803	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	353.2705
Annotation	Persenone B
Peak:m/z	Relative Intensity
50.54191	0.5
59.01263	3.7
59.53184	0.4
71.04901	1.1
71.99948	0.6
73.91853	0.4
78.39238	0.5
79.37447	0.4
79.95616	1.3
83.25977	0.5
96.95914	9.1
116.33285	0.6
191.05505	0.6
221.36238	0.5
225.21732	0.5
291.26993	18.7
292.27271	2.1
307.26556	0.8
309.28064	28.1
310.28442	2.1
335.21933	1.0
335.25980	17.9
336.26358	1.7
353.20624	12.1
353.27026	100.0
354.20435	1.3
354.27402	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	355.0888
Annotation	GlcAbeta1-3Galbeta
Peak:m/z	Relative Intensity
55.01765	5.1
55.72972	3.3
57.03328	5.1
59.01260	46.4
60.14112	3.7
65.71197	3.4
70.86987	11.5
71.01266	62.1
72.99200	11.1
73.02816	23.3
75.00752	8.0
76.43645	3.7
78.95800	4.7
83.01283	6.5
85.02846	33.7
87.00761	21.2
89.02341	32.5
95.01250	8.4
96.95905	9.2
96.96859	7.4
96.98862	4.2
99.00773	7.4
101.02343	46.2
103.00250	10.0
109.87798	4.1
113.02352	47.8
115.00303	4.8
119.03429	11.9
129.01860	9.8
131.03426	23.8
146.30141	3.8
161.04521	21.4
165.04025	6.5
175.02457	7.1
179.05580	4.7
191.02226	3.8
193.07222	8.7
211.25310	3.8
217.63835	3.6
221.06731	10.4
222.98492	4.0
227.36058	3.3
265.05704	100.0
270.64197	3.5
337.07605	6.0
355.08728	31.4
355.12396	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	353.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88692	0.4
56.96349	0.4
59.01265	4.5
61.28636	0.5
61.98705	0.7
65.03849	0.7
71.59173	0.5
83.37945	0.5
85.66341	0.4
93.03347	2.1
108.02114	0.5
109.02859	8.2
113.02402	0.5
121.02871	1.1
133.02855	1.7
133.42822	0.5
135.04410	1.3
140.82851	0.4
149.05988	0.9
152.91745	0.6
155.08618	0.6
158.03746	0.4
159.04488	1.1
161.02415	1.2
162.08348	0.4
172.05200	0.6
173.02557	0.5
173.05991	1.8
174.03143	1.2
175.03740	0.5
179.03413	0.6
183.01190	3.3
185.02420	1.3
185.05966	0.6
187.03964	1.7
189.05586	0.8
191.05588	1.1
191.07130	1.1
196.05396	0.4
197.06070	0.8
199.07611	1.8
201.05508	1.0
202.06328	1.9
204.07947	0.8
207.04431	0.5
211.07625	3.1
212.04913	0.5
223.07713	1.0
225.05605	1.3
227.07156	1.4
229.08702	3.3
233.06128	0.6
237.05392	0.6
239.07150	1.6
241.05002	0.6
249.05498	1.5
251.07306	0.7
253.05074	2.2
254.05835	0.7
255.06668	8.8
256.06946	1.0
265.05161	0.7
267.06656	7.5
268.03833	0.4
268.07059	0.9
269.04587	1.4
277.05099	2.8
277.08322	0.8
278.05341	0.7
280.03827	0.9
281.04483	0.7
283.03076	0.8
283.06204	14.7
284.06543	1.3
295.06183	43.6
296.06522	4.9
305.08380	0.8
319.10037	1.0
320.10522	1.8
321.11264	2.6
323.09271	4.2
337.10843	5.8
338.11658	100.0
339.11996	12.4
352.09485	0.8
353.10242	2.3
353.13998	30.9
353.18030	7.2
353.23303	1.8
354.14319	4.0
354.18115	0.8
370.10632	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	353.2127
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.36029	0.2
59.01259	0.7
69.81789	0.8
96.95908	0.5
98.20491	0.2
107.04941	0.2
147.08113	0.3
161.06018	0.3
163.11232	88.5
164.11569	6.1
177.09166	68.2
178.09511	4.3
188.34596	0.2
190.10144	0.3
197.02713	0.3
222.08957	0.6
274.72266	0.2
275.14362	0.2
353.21283	100.0
354.21616	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.9
59.19766	0.8
61.98697	0.9
66.48957	0.8
69.21097	0.8
69.52820	0.8
71.55415	1.3
86.41108	0.8
105.10873	0.8
109.02898	2.1
110.00021	3.7
111.00802	2.2
121.02902	0.9
123.00805	3.5
124.01572	4.0
133.02838	1.1
134.03667	1.4
135.04443	3.5
136.35854	0.9
137.02388	3.4
145.45486	0.9
147.08112	1.0
149.02379	5.7
150.03192	1.6
151.03958	2.5
159.04495	6.0
161.02412	3.8
163.03903	1.9
171.04468	1.2
173.06006	1.8
183.01294	1.0
185.06093	2.3
187.07599	2.5
191.05574	2.5
191.07112	1.9
196.05251	1.4
197.06068	3.4
201.09267	1.0
211.03949	1.0
211.07672	2.1
212.04620	1.1
213.05576	3.2
221.06129	2.0
225.05579	2.1
227.07040	1.5
237.05704	1.8
239.07144	2.8
240.04291	2.4
241.05046	3.1
251.10887	1.3
255.06667	4.0
265.05026	2.2
267.06592	3.1
267.10352	2.7
268.03943	5.0
268.10986	0.9
269.04596	8.3
270.05127	1.0
277.05203	1.7
279.10483	1.2
280.03857	3.9
283.06177	38.0
284.06570	3.6
295.06232	17.2
295.09705	2.7
296.06647	1.6
309.11600	1.4
320.10568	1.1
321.11356	3.1
323.09274	9.9
324.09705	1.6
337.11212	1.3
338.11667	96.5
339.12033	10.2
353.10452	4.1
353.14029	100.0
354.10605	1.8
354.14441	13.1
355.07919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06303	0.3
58.93385	0.4
59.01262	2.3
70.80653	1.3
76.49961	0.4
80.62460	0.4
85.02912	0.4
91.11531	0.4
108.02087	1.8
109.02860	6.2
121.02901	2.0
123.04401	0.6
133.02890	1.6
134.03662	0.5
135.04449	0.9
137.02373	0.6
145.02892	0.7
147.04465	0.4
148.01569	0.6
149.02353	1.9
149.05992	1.4
159.04472	2.0
161.02374	2.2
161.06003	1.3
161.86533	0.5
162.06862	0.6
163.03995	0.5
167.14610	0.4
169.06583	0.5
173.02371	2.5
173.06068	0.6
175.04044	0.5
175.07574	0.6
183.01311	0.7
185.06029	0.5
187.03972	5.4
187.07549	0.7
188.04491	0.5
189.05586	0.9
195.04387	0.5
197.06067	1.1
199.04012	0.8
201.05571	0.9
201.09125	1.1
203.07159	1.1
204.07875	0.4
209.06085	0.7
213.05513	0.9
216.07886	0.5
217.08673	0.9
223.07640	0.8
224.04645	0.5
225.05560	1.4
227.03471	1.4
227.06941	0.6
228.04202	0.6
229.08710	0.9
231.10353	0.5
237.05551	0.7
238.06589	0.4
239.07123	1.9
241.04965	2.3
242.05779	0.5
249.05650	0.6
251.07137	1.2
253.05147	2.8
254.05769	1.0
255.06583	2.3
265.05219	0.8
266.05856	1.1
267.06680	16.7
267.09561	0.9
268.03812	1.9
268.07227	3.0
269.04599	3.0
270.05374	9.1
270.27536	0.4
271.05695	0.7
279.10336	0.8
280.03778	1.3
280.07507	0.4
281.04572	1.2
281.08200	0.5
283.06174	22.5
284.06564	2.2
295.06226	25.6
295.09708	4.2
296.06534	3.1
296.09735	0.5
297.07803	0.4
309.07855	0.5
309.11319	0.8
310.12170	1.3
321.11444	5.2
322.11679	0.7
323.09299	7.8
324.09647	0.9
337.10852	1.0
338.11646	9.2
339.12073	0.8
353.14001	100.0
354.10004	0.6
354.14337	13.4
354.18582	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75614	0.5
55.75912	0.5
57.08065	0.4
59.01257	2.5
61.98690	0.6
65.03851	2.8
67.01760	0.6
69.85555	3.2
71.01252	0.7
91.05431	12.5
92.05755	0.8
93.03373	2.9
109.02863	26.5
110.03217	0.9
119.10551	0.5
121.02050	0.8
121.02865	6.6
133.02858	1.9
133.06543	0.6
135.04448	88.0
135.34207	0.5
136.04794	3.5
140.50049	0.5
147.04469	1.1
149.02345	0.6
149.06000	0.9
157.06509	0.8
159.04446	2.0
161.02417	1.0
161.06017	1.1
164.52959	0.5
172.05341	1.0
173.06024	4.9
174.03217	1.9
175.03986	0.8
175.07634	3.2
185.06030	0.8
186.03128	0.7
186.06696	0.7
187.03903	0.8
187.07616	2.9
188.04817	1.4
189.05534	4.0
190.06242	1.7
198.06900	1.0
199.04034	0.6
199.07608	3.9
201.05525	4.9
201.09120	0.8
201.11131	0.5
202.06339	4.6
203.07117	10.0
204.07896	21.4
205.08667	3.0
211.07710	0.8
213.05573	0.7
215.07149	7.5
216.07913	28.1
217.08495	2.7
218.05890	1.0
219.06604	0.9
225.05757	0.7
227.07164	0.9
228.07903	1.4
229.08694	4.1
231.10277	20.8
232.10611	1.6
236.61298	0.5
243.10313	1.6
249.05815	0.7
253.04996	1.1
255.06627	1.5
267.06781	0.9
268.03928	0.8
269.04556	2.1
283.06143	4.6
284.07135	2.8
295.06216	6.3
319.09848	0.8
320.10574	1.0
321.11334	5.1
323.09329	2.7
324.09808	0.6
336.10233	0.9
337.10989	3.0
338.11676	18.4
339.12000	2.0
353.10477	4.8
353.14035	100.0
354.10645	0.8
354.14355	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	353.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	14.5
61.69997	0.6
65.03847	3.8
69.54504	5.2
74.88739	0.6
91.05431	14.0
93.03355	3.6
102.34753	0.7
107.04927	0.8
108.02081	1.5
109.02864	43.3
110.03210	1.5
121.02869	14.3
129.07014	0.7
130.04117	0.7
133.02873	2.8
135.04449	100.0
136.04782	4.5
145.06519	1.3
146.03662	0.6
147.04465	8.0
149.05971	1.1
157.06525	9.5
158.06778	0.7
159.04457	9.4
160.05118	0.7
161.02383	1.1
171.04445	0.8
173.06050	1.8
174.06607	0.7
175.03922	0.9
185.06061	2.6
187.07614	2.3
189.05554	2.4
190.06299	1.4
199.07512	0.9
201.05594	4.8
202.06290	1.1
203.06929	1.0
203.10965	0.8
205.08636	2.9
213.09219	0.9
216.07944	4.9
217.08635	4.2
228.08002	0.8
229.08704	1.3
231.10278	17.7
232.10751	0.7
237.09180	1.3
239.07207	1.3
243.10237	2.1
253.05173	0.7
253.08670	0.9
263.07324	1.0
269.08337	0.7
281.08252	8.2
285.11459	0.8
295.09677	1.2
309.15341	0.8
310.11929	0.8
320.10559	0.8
321.11163	0.6
323.09396	3.2
325.14572	1.1
335.13068	1.4
338.11652	2.3
353.14041	77.6
354.14337	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	353.1401
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
54.46565	0.9
59.01265	10.0
65.03850	1.1
71.01295	0.9
71.51449	1.3
89.03874	0.9
91.05439	3.3
96.23335	0.8
103.83093	0.8
108.02080	8.1
109.02880	7.4
121.02876	33.6
123.03609	1.0
123.04404	4.7
133.02879	29.3
134.03207	1.0
135.04451	10.7
136.97139	0.8
161.02393	100.0
161.06035	3.7
162.02725	4.5
175.07614	4.6
176.08394	7.9
177.02023	0.9
183.01131	2.1
189.92532	0.8
191.05632	2.0
191.10744	52.9
191.66782	0.9
192.11105	3.8
209.81749	0.8
251.07213	1.5
268.03781	1.0
293.08966	1.6
293.11929	10.6
294.12402	2.5
309.14984	4.4
310.15356	1.0
323.09299	3.0
325.14816	1.0
338.11578	2.1
353.06818	1.8
353.10370	1.0
353.13992	16.8
353.18073	4.5
353.23145	1.2
354.14212	2.3
354.18341	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	353.1038
Annotation	Ficuisoflavone
Peak:m/z	Relative Intensity
57.03332	1.1
59.01266	3.4
62.02274	0.4
63.02268	0.4
63.82729	0.3
71.01278	0.4
78.64916	0.4
83.01281	0.4
116.27044	0.4
121.02866	0.5
129.25342	0.5
131.04945	0.9
133.02829	0.4
135.00812	0.7
135.04437	1.6
137.43460	0.4
146.03661	3.1
149.02414	0.5
151.00310	1.2
153.01892	0.6
168.05734	0.4
176.01109	0.9
181.06583	0.4
191.05589	0.9
195.04424	0.7
197.06023	0.6
198.06702	0.7
202.02773	0.8
202.04802	0.4
209.06108	1.0
211.04033	2.2
221.10562	0.4
223.04063	1.8
225.05562	3.6
226.06229	1.0
230.94524	0.4
237.05521	1.7
238.06363	1.5
239.03508	5.6
239.07162	0.6
240.04161	1.3
253.05115	8.3
254.05887	2.5
267.03043	10.3
268.03748	4.9
279.06531	0.6
281.04617	14.8
282.05386	57.8
283.06064	15.6
284.06454	0.5
293.04547	0.8
294.05292	0.4
295.06137	4.6
296.06583	0.4
309.48111	0.4
314.04364	0.4
321.07773	2.5
335.09341	0.7
338.07962	1.7
353.10367	100.0
354.07425	0.4
354.10696	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	353.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
69.26250	3.5
70.91209	0.3
77.03830	0.6
79.01758	0.4
92.53014	0.3
93.03322	0.5
98.52856	0.3
105.03353	0.9
109.02851	0.8
117.03364	0.7
119.04943	0.4
121.02866	1.8
123.04390	0.7
132.02083	1.1
133.02875	7.4
134.03247	0.3
135.04440	1.1
147.04381	0.4
149.02382	0.7
155.04982	0.5
159.04453	1.8
173.06018	0.5
180.05743	0.3
183.04495	0.6
187.03966	0.6
189.01945	0.6
194.07295	1.3
195.08092	2.3
196.05177	0.5
196.08508	0.3
197.06104	1.6
199.04021	0.4
199.07471	0.4
200.04710	0.5
201.05463	0.4
203.07018	0.6
209.06017	0.9
210.06674	0.6
211.07672	1.2
215.07001	0.3
224.04886	0.7
225.05553	1.1
226.06326	0.6
227.03571	0.3
227.07095	1.0
237.05597	1.6
238.06320	1.9
239.03494	0.4
239.07109	2.1
240.04219	0.3
253.05096	6.2
254.05812	3.6
255.06599	1.0
265.05161	0.7
267.03113	0.3
281.01486	0.5
281.04596	10.8
282.05362	10.6
283.06171	65.0
284.06509	5.9
286.04861	0.7
295.06107	0.4
307.09738	0.6
314.04398	10.0
315.04608	1.0
317.08337	1.9
319.06046	0.7
321.11380	4.3
322.11816	0.6
323.12909	0.8
335.09308	8.1
336.09680	0.9
351.08542	0.4
353.10364	100.0
353.13690	3.7
354.10690	12.2
354.14151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.104
Annotation	3',4'-Dihydrooxepino-6'-hydroxybutein
Peak:m/z	Relative Intensity
55.29494	0.8
59.01264	6.9
59.51869	0.6
69.31613	1.8
69.32038	4.7
71.01250	0.8
75.65701	0.6
79.05432	1.1
81.06966	1.2
83.01263	1.5
90.85992	0.6
93.70933	0.6
105.07020	5.3
107.04932	11.6
109.02830	1.8
111.68243	0.6
121.02818	0.7
123.08040	2.6
129.07005	0.7
131.04900	0.7
133.02856	1.6
135.04433	2.7
140.62462	0.7
145.06535	1.8
147.08096	31.3
148.08423	2.3
149.02440	0.9
149.06024	6.2
161.02403	15.6
161.04526	0.6
162.02843	0.7
163.07585	1.0
169.67439	0.6
173.06068	0.8
183.01236	3.1
191.07114	100.0
192.07498	4.3
196.78683	0.7
217.05092	1.3
279.19510	1.1
310.04269	1.2
320.29584	0.8
338.11725	2.4
353.10297	33.6
353.14093	3.6
353.18115	4.3
353.23206	1.3
354.10648	3.7
354.14438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.9
59.25921	0.3
65.00208	1.8
69.21017	0.6
69.21427	3.0
95.01318	0.3
104.43035	0.3
105.06950	0.4
107.04959	0.4
108.02087	2.1
109.02854	1.1
109.06493	2.4
119.01237	0.3
121.02859	1.1
123.04482	0.6
130.19221	0.3
132.02039	0.4
133.02873	5.9
133.06496	2.4
135.00819	0.7
135.04417	0.6
136.01601	3.3
137.02385	0.4
145.02936	0.6
145.55769	0.3
147.00774	0.8
148.01578	1.4
149.02370	3.3
150.49229	0.3
151.03958	0.8
151.07574	6.2
152.07951	0.3
157.02911	0.5
159.04443	0.3
161.02345	0.9
163.00298	1.4
164.01056	2.0
171.04489	0.5
173.49362	0.3
175.00310	0.7
175.03932	4.9
175.07568	1.2
177.01866	0.4
177.09123	1.0
185.06084	0.4
187.03839	0.4
189.01860	0.7
196.05342	0.4
198.03195	0.5
199.03946	4.3
201.01894	2.8
202.02310	0.4
209.05937	0.3
211.03958	0.6
212.04822	0.4
215.03426	0.4
216.04268	0.8
219.06564	0.4
224.04799	0.4
225.05620	0.5
226.06285	2.3
227.03377	0.5
229.05038	0.5
237.12836	0.4
239.03458	0.5
240.04295	1.4
241.04979	0.8
241.12480	0.4
243.10371	0.5
253.05219	0.7
253.12396	0.4
254.05757	0.7
256.03754	0.5
263.10822	0.4
265.04971	0.4
265.08630	0.6
265.12268	0.5
266.05807	0.7
267.02979	1.4
267.10309	2.0
269.04517	0.7
270.05292	0.5
281.04941	0.3
281.11752	0.5
284.03314	3.7
285.11389	5.2
286.11633	0.7
297.04089	3.3
298.04852	4.2
309.04095	0.9
309.11444	1.8
325.10947	0.7
330.03845	1.4
335.12939	0.8
338.08124	0.5
353.10361	100.0
354.10699	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	353.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16441	0.2
56.91791	0.1
59.01261	0.3
62.92841	0.2
63.02268	0.5
65.00204	2.7
65.03841	0.3
70.71925	0.4
89.03870	0.4
91.05413	0.5
93.03391	0.2
95.23692	0.2
105.07003	0.2
107.04949	0.6
107.08562	0.6
108.02068	1.1
109.02858	2.6
109.06490	3.0
110.06858	0.2
121.02866	0.9
123.04431	0.5
129.07057	0.2
131.04968	0.2
131.08591	0.4
132.02081	0.4
133.01868	0.4
133.02876	6.4
133.06520	7.2
134.03314	0.2
134.06845	0.4
135.00810	0.2
135.04442	3.0
136.01573	1.2
137.02386	0.2
145.02791	0.2
147.00804	0.3
147.04437	0.6
148.01599	1.5
149.02385	2.3
149.05960	0.3
151.03935	0.8
151.07588	5.9
152.07909	0.4
157.02902	0.6
157.06540	0.5
159.04456	0.4
161.02335	0.4
163.00299	0.8
163.07532	0.3
164.01062	0.5
171.04453	0.5
173.02374	0.4
173.05858	0.2
174.03139	0.2
175.00325	0.5
175.03975	4.3
175.06546	0.2
175.07623	2.1
176.01117	4.0
176.04465	0.3
177.01842	0.5
183.04530	0.3
187.04019	0.2
188.04720	0.3
189.01875	0.3
191.07092	0.6
193.08632	0.2
196.05254	0.3
197.05928	0.3
198.03152	0.5
198.06844	0.3
199.03989	3.6
200.04433	0.3
201.01909	3.4
202.02298	0.3
209.06044	0.3
210.06889	0.2
211.04071	0.2
212.04781	0.5
215.03375	0.2
216.04338	1.1
217.04930	0.3
219.06630	10.6
220.06952	0.7
223.04123	0.4
224.04796	0.3
225.05586	0.4
226.06314	0.7
231.10193	0.3
238.06390	0.2
239.03656	0.3
239.10768	0.2
240.04329	1.9
241.05016	0.5
242.05779	0.2
243.02998	0.6
249.05722	0.2
253.05038	0.5
254.05746	0.5
256.03891	0.2
265.05090	0.4
265.12369	0.3
266.05826	0.5
267.03030	0.3
267.10272	1.2
269.04602	0.9
270.05261	0.5
281.04584	0.5
281.11899	0.5
282.05481	0.3
283.02444	0.2
283.09824	0.7
284.03345	0.8
285.03970	0.2
285.11423	3.2
286.11716	0.2
291.10373	0.4
297.04120	2.7
298.04865	3.3
299.05258	0.3
309.04092	3.2
309.11325	1.8
310.04660	0.8
310.11758	0.2
323.05804	0.3
325.10895	1.0
330.03857	1.8
337.07098	0.4
338.07837	0.3
353.10361	100.0
354.10703	10.2
354.14160	0.4
359.32394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1036
Annotation	Laburnetin
Peak:m/z	Relative Intensity
51.20074	0.4
55.66710	0.4
56.37733	0.4
59.01263	3.4
59.67319	0.4
65.00227	0.7
65.03848	0.7
67.01725	0.5
68.76969	0.4
69.61963	3.0
89.03902	0.5
91.01804	0.5
93.03367	0.6
95.04939	0.5
106.59893	0.5
107.04928	1.3
109.02848	4.6
117.03364	0.8
121.02856	0.7
123.04436	0.5
132.02036	0.5
133.02890	4.4
135.04482	0.8
135.08151	0.5
149.02393	0.9
151.03906	0.5
159.04460	1.1
173.06081	0.5
175.03946	1.6
177.01912	2.9
191.60870	0.5
197.06189	0.7
199.03995	1.6
201.01889	3.0
201.09068	0.5
215.07030	0.5
219.02980	1.5
223.07666	0.6
225.05533	1.0
226.06377	0.7
237.05731	0.7
238.06276	1.0
239.07132	0.5
241.05150	1.2
249.05612	0.7
250.05830	0.4
253.05171	2.6
254.05894	1.3
263.07034	0.5
265.05161	0.5
267.06674	1.1
268.03824	1.0
281.04581	5.4
281.11227	0.5
282.05304	5.1
283.06192	1.1
291.07053	0.7
293.04648	11.6
294.04974	0.9
295.06314	1.2
305.08194	0.6
307.06174	0.6
307.10352	0.5
308.06793	1.3
309.07556	1.2
311.05737	2.9
314.04407	5.4
317.08319	1.6
319.06046	0.8
321.07883	2.5
322.08310	0.9
323.09299	38.7
324.09683	4.3
325.10660	0.9
335.09390	7.3
338.11581	1.5
340.05432	0.5
353.06631	17.4
353.10413	100.0
353.23328	2.1
354.06915	1.8
354.10751	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	351.1711
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
54.50605	2.0
59.01264	26.6
71.36353	2.0
71.52391	3.1
73.62645	2.1
89.85360	2.3
92.84259	2.8
95.04922	3.9
138.15680	2.2
177.76526	2.4
181.17543	2.2
182.55324	2.5
195.13866	7.5
202.07614	2.5
223.13321	4.8
225.01749	3.0
231.10175	4.2
275.20279	3.2
278.11386	9.4
282.21747	2.3
293.21268	34.6
314.07941	7.7
315.19589	2.9
351.08810	8.9
351.17169	100.0
351.21576	3.5
351.29028	2.3
352.17551	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	353.0676
Annotation	Aspertoxin
Peak:m/z	Relative Intensity
56.75364	0.2
57.03310	0.2
59.01253	1.4
59.80164	0.2
65.00206	1.3
65.03846	2.9
67.01774	1.8
71.01273	0.3
71.56331	0.3
71.56720	0.2
75.60867	0.2
82.39789	0.2
83.01286	0.3
83.04918	1.9
85.46595	0.2
89.03857	1.2
91.01786	2.9
93.03374	0.3
96.65893	0.2
105.03375	0.5
107.04916	2.0
108.02060	0.6
109.02859	22.8
110.03187	0.7
114.57240	0.2
115.05425	0.3
119.04964	0.3
121.02849	0.7
123.04392	0.4
125.02379	0.2
129.03334	0.2
131.04958	0.7
132.02196	0.2
133.02876	14.2
133.06490	0.4
134.03163	0.5
135.00818	1.3
135.04413	0.7
137.89542	0.2
143.04987	0.5
145.02884	0.3
147.00845	0.2
147.04474	0.2
148.01590	0.5
149.02377	2.3
151.03955	3.3
153.01894	1.1
157.02913	1.9
158.03647	0.4
159.04425	0.4
161.02367	0.7
171.04515	1.0
173.02400	0.7
175.00243	0.2
175.03957	5.2
176.01128	1.1
176.04198	0.3
177.01895	12.6
178.02231	0.7
180.05775	0.3
181.06419	0.4
183.04425	0.2
191.05553	0.3
191.07156	0.3
195.02879	0.2
195.04623	0.2
195.08151	0.2
196.05255	0.3
197.06030	0.7
198.03214	1.1
199.03978	10.9
200.04353	0.7
201.01910	10.6
202.02249	0.6
211.07538	0.2
214.73410	0.2
215.03476	0.3
217.05006	0.2
219.02989	5.5
220.03416	0.3
221.05978	0.3
223.03952	0.3
223.07574	0.8
224.04671	0.5
225.05557	1.3
226.05833	0.2
237.05531	0.7
238.06277	0.3
239.07162	1.9
241.05066	1.1
243.03008	2.2
243.06598	1.1
244.03384	0.3
248.04948	0.2
249.05580	1.0
251.03499	0.5
252.04213	0.3
253.05038	0.6
265.05099	0.9
265.08658	0.4
266.05850	0.8
267.06693	5.2
267.09555	0.4
268.06921	0.4
269.04565	0.6
279.06439	0.3
281.04596	1.1
281.08194	0.8
281.11200	0.2
282.05237	0.6
283.06039	1.3
285.07684	0.2
291.06567	1.0
293.04556	0.5
295.06113	0.2
295.09982	0.3
296.82535	0.2
307.05954	0.4
309.04343	0.3
309.07736	3.7
310.04761	0.5
310.08017	0.3
311.05664	11.1
312.05960	1.0
323.09366	1.3
325.07349	0.9
335.05692	1.1
353.06699	100.0
353.09869	4.3
354.07040	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	351.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43702	0.5
59.01265	1.6
64.17750	0.5
70.54123	1.5
87.00773	100.0
88.01098	1.5
107.04923	0.5
120.78397	0.5
121.02885	2.5
122.03672	4.7
130.99792	50.9
132.00107	1.0
133.02809	0.7
135.04433	1.7
137.02356	1.2
147.04453	1.9
148.05179	0.8
149.02357	0.6
175.65750	0.5
183.14931	0.6
201.09155	1.1
219.10115	0.7
254.04366	48.9
255.04713	3.7
294.69904	0.5
305.04120	0.6
351.11194	8.4
352.11212	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	351.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79359	0.6
55.01748	0.6
57.03322	1.7
59.00992	1.0
59.01262	12.2
67.01785	0.7
68.99692	2.3
69.03312	0.8
71.01271	12.3
71.51255	0.7
72.99190	4.0
73.02826	1.4
75.00763	15.3
83.01270	1.1
85.02841	14.2
87.00780	5.6
89.02336	2.4
92.04935	0.6
95.01275	4.5
99.00774	12.8
101.02374	1.5
101.05982	100.0
102.05732	0.6
102.06318	3.3
103.00255	1.5
110.06073	0.5
111.00732	0.6
113.02355	18.6
115.00278	1.9
117.01846	2.3
122.06032	1.5
129.01872	1.6
138.05617	1.4
150.05489	0.9
157.01312	0.8
161.04558	0.7
166.05107	0.9
168.06573	0.9
175.02457	2.3
179.86826	0.6
187.24741	0.6
192.38310	0.6
199.19420	0.6
210.04070	1.0
212.05638	3.7
231.05177	2.2
249.06178	15.2
249.78746	0.6
250.06685	0.8
251.11459	2.0
260.19632	0.6
291.10968	0.8
307.12909	1.4
333.11887	2.5
351.13004	74.5
352.13406	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	351.1094
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
59.01258	0.6
59.73923	0.4
59.77258	0.5
62.29571	0.6
64.65299	0.5
71.01270	0.6
71.39034	0.9
83.04919	1.1
87.00772	100.0
88.01104	1.3
91.05444	1.4
93.03347	2.1
97.06493	6.0
101.05958	0.7
105.03362	1.2
107.04940	14.4
108.02076	1.5
111.04440	2.1
112.05202	1.5
119.04938	1.6
121.02873	25.8
122.03669	17.1
123.04472	0.7
124.01568	1.7
130.99788	39.7
132.00127	0.5
132.36136	0.6
133.02884	0.7
134.03673	10.0
134.04663	0.9
135.04474	3.9
136.01634	0.8
137.02374	6.3
139.03944	2.0
146.03665	0.6
147.04459	13.5
148.05228	5.4
149.02391	3.0
149.09647	0.5
151.03937	0.8
154.02628	2.1
161.02473	0.6
162.03241	0.5
163.03963	7.4
164.04788	5.5
165.05495	1.3
166.02667	1.8
173.09705	0.6
189.09174	0.6
190.09999	1.0
191.03461	3.1
191.10751	18.0
192.04280	5.4
192.11162	1.4
193.01352	0.6
194.02164	2.2
201.09232	1.8
219.10265	4.2
222.08957	1.7
229.08717	0.7
231.33585	0.5
231.48973	0.6
237.76765	0.6
245.11877	0.8
254.04358	52.5
255.04706	3.1
261.11340	1.2
273.07800	0.8
289.11017	1.3
291.08853	6.3
292.09164	0.8
333.09940	0.8
351.10944	66.5
352.11340	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	351.1094
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
50.93504	0.9
53.07552	0.8
55.43945	0.9
59.01250	3.4
65.08098	0.8
68.99676	1.1
69.18999	6.5
69.19424	4.0
87.00774	100.0
88.01107	1.5
91.03704	1.0
91.05383	1.5
93.03362	4.4
95.04918	1.1
96.39565	1.0
97.06506	5.2
103.05442	1.8
104.34367	0.8
105.03377	2.0
107.04935	23.2
108.02053	1.4
111.04415	3.4
112.05211	12.8
119.04925	2.2
121.02872	60.2
122.03703	17.4
123.04420	1.6
130.04080	1.1
130.99792	39.0
134.03647	8.0
135.04419	4.6
136.01601	1.4
137.02362	9.9
139.03920	1.9
145.02896	1.2
146.03644	1.5
147.04453	26.2
148.05255	6.8
149.02376	4.2
149.05936	1.2
154.02663	2.3
161.02376	3.1
163.03964	12.3
164.04727	5.8
165.05386	1.6
166.02667	1.6
172.05312	1.3
176.04770	1.5
190.09914	0.9
191.03461	6.6
191.10773	13.6
192.04253	7.7
194.02150	4.1
201.09172	4.1
219.10229	5.8
245.11909	0.9
254.04355	44.1
255.04788	2.5
261.11465	2.6
289.10965	2.3
291.08786	14.0
309.27536	1.0
333.09781	1.6
351.10913	98.9
352.11252	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	351.109
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
53.04905	0.7
59.01267	4.4
63.94398	0.6
67.48582	0.6
69.51814	5.3
71.01254	0.9
87.00772	43.4
93.03374	1.1
97.06492	8.0
98.20532	1.5
99.00769	0.9
101.02314	0.8
104.86919	0.6
107.04914	2.7
107.51831	0.7
111.00787	0.7
111.04433	0.8
112.05179	0.7
121.02865	15.8
122.03696	5.2
123.04463	1.5
127.88508	0.7
130.86508	0.7
130.99780	7.7
131.90968	0.7
135.04497	1.3
136.05228	0.9
137.02412	1.5
146.03651	0.8
147.04478	5.7
148.05241	2.6
149.02379	0.9
150.03206	1.0
158.03606	0.7
159.04431	1.5
161.02406	2.4
161.05984	0.9
162.03162	17.6
162.06784	1.0
163.03893	1.4
163.06023	0.6
163.07573	1.0
164.04730	1.4
165.05412	0.8
172.05251	8.4
173.05914	2.3
173.09686	1.5
174.94359	0.6
175.03941	2.1
175.07605	1.5
186.06781	1.4
187.03990	2.4
187.07611	1.8
188.04768	5.5
189.05434	0.9
189.09209	1.0
190.06247	1.6
191.03442	2.1
191.10712	4.6
192.04271	1.4
197.06079	1.3
198.06917	4.2
199.07590	4.1
200.08408	2.3
201.09193	52.3
202.09521	2.9
203.03439	0.8
204.04282	1.1
204.07901	1.6
214.06235	0.9
215.07144	1.2
215.10799	0.7
217.08690	3.1
217.12364	1.8
218.09372	0.8
219.10284	22.1
220.10651	1.2
227.10812	5.4
228.11046	0.8
229.08725	16.4
238.06340	0.9
243.10310	5.7
245.11882	6.1
247.09787	10.8
253.08868	0.7
254.04344	5.2
261.11359	4.7
271.09775	2.7
273.07767	8.2
289.10855	5.1
290.11194	0.9
291.08826	5.3
292.09213	0.7
315.08899	1.6
322.54974	0.8
333.09888	1.4
351.10913	100.0
352.11267	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	351.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
59.01265	9.9
59.20985	0.1
65.00217	0.3
70.24437	0.6
70.24812	0.3
71.01260	0.6
74.01604	0.1
82.95174	0.2
85.63799	0.2
87.00773	1.2
91.05449	0.2
93.03342	0.5
94.03250	0.2
97.06530	0.2
101.02372	0.3
103.05424	0.4
107.04936	0.2
112.05200	0.2
117.03380	2.0
119.04926	0.6
121.02883	0.8
123.04507	0.3
127.05446	0.4
130.99762	0.4
132.02084	1.1
133.02885	2.8
135.00789	0.4
143.04967	0.3
145.02852	0.3
147.04416	0.4
155.04846	0.3
157.02856	0.4
159.04431	0.7
159.05630	0.2
160.01607	0.2
161.02417	0.4
163.03954	0.2
170.03694	0.2
171.04500	1.0
172.01614	0.3
173.02356	0.4
173.06059	0.3
175.00403	0.3
177.01926	0.2
183.04440	0.5
184.78397	0.2
187.03960	0.4
188.01070	0.4
189.01822	0.2
189.05550	0.2
196.05289	0.3
197.02438	0.2
198.03165	0.3
199.04012	0.8
200.01125	3.3
201.01906	3.3
202.02272	0.4
209.06102	0.2
211.03983	0.5
212.04675	0.4
215.03508	1.4
216.03963	0.2
217.06572	0.2
218.07263	0.2
223.03995	0.3
224.04945	0.2
226.02725	0.5
227.03510	1.3
230.07312	0.5
233.09691	0.5
235.07671	0.3
237.05562	0.8
239.03456	1.0
240.04352	1.6
241.05063	3.0
243.08160	0.3
244.08855	0.4
245.06122	0.3
245.09697	1.3
246.06863	0.6
247.07556	0.4
249.05589	0.8
250.06326	0.5
251.03494	0.6
251.10541	0.2
252.04094	0.2
253.05133	0.2
254.04512	0.5
255.18503	0.2
258.05392	4.1
259.05508	0.3
260.08557	0.3
261.05679	0.3
261.09225	1.0
262.06320	0.5
262.09442	0.2
263.07074	0.3
264.08005	0.3
265.05072	1.2
265.08151	0.2
266.05707	0.4
267.02933	0.3
268.03809	1.6
273.05634	0.4
274.06451	1.7
275.06525	0.2
277.08801	0.7
279.06580	0.2
280.03223	0.2
280.07452	0.3
281.04642	0.4
281.07840	0.2
282.05185	0.3
287.07224	0.6
288.07962	0.5
289.05341	0.3
289.08664	2.2
290.05771	0.5
290.09061	0.3
291.06738	0.4
291.18201	0.3
292.03741	0.3
293.04639	9.1
294.05325	4.5
295.05853	0.4
295.09644	0.4
304.07297	0.2
305.04666	0.2
305.08267	0.7
306.05444	1.1
307.06110	1.1
307.09589	0.3
308.06931	1.6
309.07709	1.3
310.07874	0.2
318.05389	4.8
319.02560	0.2
319.05670	0.9
321.07898	0.2
323.09256	1.2
333.07742	11.0
334.08167	1.6
336.06433	0.2
350.08093	0.2
351.08786	100.0
352.09140	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	351.088
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
59.01266	3.4
65.00208	3.8
65.03848	1.1
71.01274	0.8
71.30647	0.8
79.05413	1.8
89.03841	0.5
96.95912	0.7
103.05431	1.9
104.07880	0.3
105.07010	5.0
107.04936	7.8
108.02074	0.3
109.02856	0.9
111.30286	0.3
121.02847	0.5
123.04475	0.6
129.07010	1.4
131.04953	6.2
131.21004	0.4
132.02129	0.3
132.05275	0.4
133.02881	7.4
134.03186	0.3
143.05008	0.5
145.02831	0.4
145.06558	0.5
147.00801	0.9
147.04349	0.4
148.01598	0.9
149.02408	3.9
149.04855	0.7
149.06027	11.5
150.06354	0.8
151.03990	0.6
155.04962	0.5
157.02890	0.9
157.06505	0.9
158.03607	0.5
161.02412	0.4
161.04671	0.3
161.06023	0.8
171.04468	0.4
172.05197	1.1
173.02382	0.9
173.06032	6.8
174.06432	0.4
175.03975	6.4
177.01903	0.7
182.03618	0.3
182.94937	0.3
189.05463	2.2
192.11539	0.4
197.06039	0.3
198.03188	0.9
198.06805	0.4
199.03996	5.5
200.04427	0.3
201.01932	6.2
202.02261	0.6
215.03484	0.4
217.05057	12.2
218.05418	0.8
220.14764	1.6
221.09669	0.5
221.15437	3.3
235.07722	0.4
236.10565	3.0
237.09248	0.6
239.10808	0.5
242.05647	0.4
243.02971	1.1
247.07697	0.4
263.07297	0.6
263.11072	0.3
265.08725	1.5
279.10321	1.0
281.08157	0.6
283.09830	1.1
289.08743	1.2
291.06720	0.6
293.17703	0.6
295.09634	0.5
305.08310	0.5
307.09860	1.4
323.09320	1.1
333.07776	1.5
351.08810	100.0
352.09143	12.0
352.12695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0881
Annotation	Erysubin B
Peak:m/z	Relative Intensity
50.84173	0.2
55.59861	0.2
57.03331	0.4
59.01255	1.1
65.00214	0.3
68.28989	0.2
69.91802	0.6
69.92191	0.6
76.24586	0.2
84.46838	0.2
93.03345	0.7
98.20438	0.4
103.05415	0.4
105.03436	0.3
109.02853	0.3
117.03359	1.6
119.04919	0.6
123.04449	0.5
127.05466	0.4
132.02094	1.6
133.02888	4.2
134.03207	0.2
135.00800	0.4
143.04942	0.6
145.02812	0.3
147.04471	0.2
149.05931	0.3
155.04886	0.3
156.02023	0.2
157.02870	0.7
159.04417	0.7
161.06078	0.3
171.04469	1.1
171.92493	0.2
172.01584	0.4
173.06055	0.3
177.01993	0.3
183.04465	0.6
185.02324	0.3
187.03952	0.4
188.01122	0.5
189.05534	0.3
193.06569	0.3
195.04556	0.3
196.05344	0.5
197.02444	0.3
198.03107	0.4
199.03928	1.0
200.01152	2.9
201.01909	3.1
204.05638	0.2
211.03807	0.3
215.03523	1.5
219.08136	0.4
223.04059	0.5
224.04781	0.3
225.05438	0.3
226.02625	0.4
227.03461	1.1
230.07564	1.2
233.09712	0.7
237.05585	0.9
238.06477	0.3
239.03531	0.6
240.04239	1.9
241.05052	2.9
243.08141	0.4
244.08821	0.3
245.06029	0.4
245.09711	2.3
246.06789	0.7
247.07597	0.5
249.05592	0.6
250.06432	0.5
251.03445	0.6
254.02184	0.3
258.05368	4.4
259.05545	0.4
260.08426	0.4
261.05563	0.3
261.09177	0.9
262.06366	0.4
263.07019	0.5
264.08032	0.3
265.05130	1.3
266.05942	0.6
268.03796	1.7
273.05609	0.7
274.06412	2.5
275.06906	0.4
277.08771	1.1
280.03720	0.2
281.04620	0.6
282.05228	0.4
287.07230	0.9
288.07907	0.7
289.05167	0.8
289.08740	3.4
290.06009	0.5
290.09149	0.6
291.06644	0.5
293.04617	9.8
294.05322	4.7
295.06049	0.4
295.09854	0.4
305.08270	0.6
306.05414	1.6
307.06174	0.8
308.03467	0.4
308.06699	1.5
309.07617	1.3
314.04437	0.2
318.01886	0.5
318.05414	6.5
319.05801	1.2
321.07678	0.3
323.09290	1.8
333.07742	15.3
334.08130	1.9
351.08798	100.0
352.09164	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	351.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.0
65.00213	3.2
65.03835	1.0
70.02043	1.4
70.30158	0.3
70.62758	0.3
70.67023	0.3
79.05414	1.1
89.03855	0.8
103.05426	1.8
105.07005	5.3
107.04932	7.9
108.02062	0.4
109.02850	0.6
121.02844	0.5
123.04421	0.6
129.07027	2.0
130.04170	0.3
131.04950	5.4
132.05283	0.3
133.02878	6.6
143.05005	0.7
145.02875	0.4
145.06496	0.7
147.00778	0.9
147.04488	0.6
148.01602	1.1
149.02374	3.2
149.04861	0.6
149.06027	10.1
150.06342	0.8
151.03949	0.8
155.04982	0.5
157.02867	1.0
157.06517	0.7
160.53868	0.3
161.02344	0.7
161.06061	0.8
168.70767	0.3
171.04446	0.7
172.05241	0.7
173.02361	0.9
173.06024	7.2
174.03172	0.5
175.03969	6.1
176.04362	0.5
177.01825	0.7
189.05576	2.8
190.05891	0.4
198.03133	0.7
198.06744	0.6
199.03978	5.1
200.04343	0.5
201.01920	6.6
202.02301	0.5
217.05057	11.5
218.05389	0.8
221.09798	0.3
237.09189	0.4
243.02985	1.4
247.07664	0.8
249.05573	0.4
263.07181	0.6
263.10825	0.5
265.08725	1.5
279.10397	0.4
281.08252	0.4
283.09787	1.6
289.08710	1.2
291.06522	0.5
305.08334	0.6
307.09833	2.2
323.09378	1.4
333.07669	2.3
351.08792	100.0
352.04822	0.7
352.09128	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	351.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51684	0.2
59.01264	2.1
62.44618	0.2
65.00200	0.5
65.03828	0.2
69.67462	1.6
71.01260	0.3
77.59942	0.2
79.05420	0.5
83.23876	0.2
93.03355	0.6
105.07042	0.3
107.04967	1.3
109.02818	0.3
121.02870	1.2
129.07010	0.5
131.04959	0.5
133.02899	1.4
135.00775	0.4
135.04430	0.5
139.03946	0.3
147.04422	0.3
147.07971	0.2
148.01582	0.7
149.02368	1.3
149.06012	0.8
155.04945	0.3
157.06560	0.5
161.99548	0.3
163.00299	0.3
171.04459	0.5
173.02321	0.3
173.06046	0.9
174.03137	0.4
175.03955	0.8
185.02301	0.2
187.03957	0.5
197.06047	0.5
198.06700	0.3
199.03972	1.0
199.07422	0.3
201.01947	1.4
213.01955	0.4
213.05557	1.4
214.02541	0.3
215.03510	0.4
217.05084	0.8
223.04089	0.2
224.04851	0.7
225.05594	1.6
226.02867	0.3
227.03517	2.8
228.03979	0.6
233.09749	0.3
235.07547	0.3
239.03462	0.3
241.05098	4.6
242.05800	2.4
243.06628	2.1
247.07671	0.3
249.09242	0.5
251.10799	0.5
261.09244	0.3
263.07236	0.4
275.07184	0.7
277.05521	0.4
277.08734	1.5
278.09497	0.3
279.03168	0.2
279.06824	0.4
279.10190	0.5
281.08231	0.3
289.08652	0.3
291.06818	0.2
291.19720	0.7
293.04626	1.0
293.08215	0.6
295.09842	2.1
296.03091	0.3
305.08218	1.9
306.08905	0.3
307.06296	0.5
307.09616	0.7
308.03403	0.3
308.06793	0.5
321.04114	1.4
321.07556	0.3
323.09299	5.6
324.09634	0.5
333.07721	3.5
334.08151	0.5
335.05643	1.4
336.06271	1.2
342.70874	0.2
349.07104	0.8
350.08060	0.3
351.08801	100.0
352.09158	11.4
352.12637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06039	0.3
59.01263	1.4
65.00204	5.5
65.03841	0.5
70.81387	0.8
79.05424	1.7
89.03867	0.4
103.05430	2.1
105.07002	3.3
107.04940	8.8
108.02040	0.4
108.05243	0.3
109.02843	0.7
114.32624	0.3
121.02855	0.7
129.07039	2.7
131.04945	9.4
132.05237	0.3
133.02872	5.4
134.03217	0.3
135.00844	0.3
136.27611	0.3
143.04929	0.4
145.02870	0.3
145.06532	0.5
147.04449	0.5
148.01694	0.4
149.02390	1.8
149.06024	11.4
150.03174	0.4
150.06329	0.5
151.35854	0.3
155.04950	0.7
157.02870	1.0
157.06493	0.6
159.04504	0.4
161.02345	0.5
161.06062	0.5
163.07599	0.3
171.04451	0.4
172.05235	1.0
173.02405	0.7
173.06033	12.9
174.03217	0.9
174.06429	0.8
175.03966	4.8
176.01149	0.3
177.01770	0.6
189.05550	1.9
198.03073	0.3
199.03989	2.8
201.01906	6.9
202.02336	0.5
217.05045	24.8
218.05478	1.7
218.73845	0.2
224.04630	0.4
227.03458	0.7
237.09171	0.5
239.10796	0.5
241.04990	0.6
241.08768	0.4
243.02917	0.6
247.07597	0.5
249.05617	0.6
263.07202	0.5
263.10916	0.4
265.08765	1.5
267.02963	0.4
279.10263	0.7
281.08279	1.0
283.09766	0.8
289.08752	0.8
291.06543	0.5
295.09845	0.4
303.06204	0.3
305.08435	0.3
307.09744	2.4
323.09341	2.7
324.09656	0.5
333.07901	1.0
335.05643	0.6
336.06381	0.3
351.08801	100.0
352.09140	13.5
355.42950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94051	0.6
59.01259	5.8
61.98690	0.6
64.99861	0.6
65.00205	13.2
65.03826	0.7
67.01755	1.2
79.05422	4.8
87.00791	0.7
89.03880	0.7
98.19795	1.7
102.04686	0.6
103.05441	5.6
105.07001	3.9
107.04924	8.5
108.02032	0.8
109.02843	1.1
111.00790	1.9
117.06968	0.6
121.02865	0.8
123.04439	0.6
124.08293	0.7
124.71104	0.6
129.07036	3.1
130.55070	0.6
131.04959	8.2
132.05356	0.6
132.08533	0.6
133.02887	7.7
135.27693	0.5
145.02896	0.9
145.06502	1.9
147.04446	2.8
148.01587	1.1
149.02414	3.0
149.06018	12.8
150.06297	0.7
151.03899	0.6
157.02881	0.9
157.06476	0.6
161.02354	1.5
170.49931	0.5
172.05200	0.9
173.06035	16.2
174.06404	1.3
175.03940	4.9
182.69720	0.6
186.95551	0.8
189.05537	2.1
192.95844	1.6
198.03220	1.2
199.02397	0.6
199.03934	3.6
201.01894	6.7
217.05057	28.1
218.05345	1.7
218.07494	0.6
231.10361	0.8
235.06012	0.8
241.08621	0.7
249.05531	1.1
258.62726	0.6
263.06985	1.0
265.08691	2.1
281.08316	1.3
283.09833	1.0
289.08759	0.9
291.06494	0.7
295.09726	0.6
307.09821	2.0
318.28165	0.7
323.09296	1.6
351.08801	100.0
352.09149	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28194	0.3
59.01038	0.3
59.01271	2.8
60.42845	0.4
61.24813	0.3
66.67667	0.3
70.89765	0.8
71.01250	0.4
80.02695	0.5
87.00756	0.5
93.03280	0.3
96.95930	0.4
117.03348	1.0
121.02885	0.5
131.01372	0.5
132.02141	0.8
133.02896	0.8
145.04318	0.3
147.04449	0.3
153.46127	0.4
156.52019	0.3
157.02953	0.7
175.00302	1.7
189.05556	0.4
193.06500	0.5
200.01198	3.2
201.01849	1.5
203.94261	0.3
208.05241	0.4
209.06041	0.6
215.03403	0.4
217.08922	0.4
221.06029	0.5
237.05562	1.8
243.03015	0.5
248.04933	0.5
249.05624	1.6
251.03566	0.8
255.06659	0.3
259.60776	0.3
261.05655	0.4
263.07208	0.7
264.04382	0.9
265.05087	2.4
266.05396	0.5
274.06531	0.4
275.07202	0.6
285.65509	0.3
291.06839	0.4
292.03894	1.4
293.04620	100.0
294.05008	11.5
306.05200	0.3
307.06058	0.5
308.07016	0.4
318.05368	1.0
319.06177	22.5
320.06537	2.9
321.04181	1.7
321.07568	0.5
333.07886	0.4
335.05661	1.5
336.06454	16.7
337.06802	2.4
351.08798	97.6
352.09149	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	349.0723
Annotation	Tetracenomycin B1
Peak:m/z	Relative Intensity
51.62945	0.7
59.01257	7.9
69.37665	0.7
71.01245	0.8
71.52546	1.5
79.63660	0.7
99.30415	0.8
103.05460	2.0
115.05434	2.5
115.69786	0.9
121.12032	0.8
133.02876	3.0
143.04964	7.9
147.04486	1.1
149.02301	1.0
159.04416	2.8
171.04462	58.4
172.04829	3.9
187.03995	1.1
200.01254	0.9
201.01869	1.5
215.03493	89.6
216.03839	5.6
233.04654	3.8
250.92296	0.9
265.62112	0.8
279.06647	4.5
305.08148	3.2
321.07556	4.4
349.07227	100.0
350.07635	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	349.1087
Annotation	Indicanine C
Peak:m/z	Relative Intensity
50.62970	0.9
56.12329	0.8
59.01260	6.7
95.47421	0.8
96.95917	0.9
132.02098	3.6
152.76913	1.0
165.50717	1.0
173.06052	1.5
213.05681	0.9
217.05020	1.3
228.25288	1.0
229.72891	1.0
240.04327	3.6
241.05084	6.6
261.09250	1.2
265.04980	1.2
277.08713	2.1
287.07193	1.3
289.08740	3.1
291.03055	1.7
291.06555	2.1
293.04807	4.6
304.03442	1.1
305.04886	1.2
305.08173	5.3
306.08835	1.4
315.06750	2.7
316.07495	3.3
317.08267	4.1
319.06058	5.1
333.07742	22.7
334.08533	71.4
335.08856	8.2
349.10880	100.0
350.11227	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	347.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60467	0.8
59.01266	100.0
60.01593	1.2
60.52910	0.7
61.98737	1.2
66.34274	0.7
69.92526	1.6
69.92940	2.5
71.01276	1.4
71.53796	0.7
101.72224	0.9
108.16947	0.8
141.01811	0.9
154.99832	0.8
187.69621	0.8
213.14969	2.5
359.73227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0724
Annotation	Tetracenomycin B1
Peak:m/z	Relative Intensity
54.14566	0.2
58.32997	0.2
59.01265	1.2
71.47243	0.3
82.01659	0.2
93.03368	0.5
95.20566	0.2
105.03383	0.6
109.02904	0.2
111.22300	0.2
121.02870	3.1
123.04440	0.2
123.60131	0.2
132.02072	0.4
133.02890	4.9
139.04012	0.3
143.04950	0.7
149.02370	0.8
150.29430	0.2
158.26566	0.2
159.04407	0.3
171.04463	5.2
171.05925	0.4
172.05080	0.3
175.03937	0.4
189.05534	0.4
197.06078	0.5
199.03879	0.2
201.05586	0.3
211.03905	0.4
212.04759	2.2
213.05501	0.5
215.03502	7.3
216.03987	0.3
221.56046	0.2
223.07642	0.2
231.08304	0.2
233.06213	0.2
234.06996	0.2
237.09184	0.3
239.03664	0.3
240.01843	0.4
240.04298	7.8
240.63570	0.2
241.05067	8.5
242.05435	0.6
243.02834	0.2
247.07693	0.6
249.05547	0.2
249.09238	0.8
250.06442	0.3
250.09422	0.2
261.05588	0.4
261.09149	0.2
262.06418	0.4
263.07156	0.5
265.05334	0.2
265.08807	0.5
273.05630	0.2
274.06525	0.3
275.07208	2.3
276.07800	0.6
277.05066	0.3
277.08740	1.4
278.05856	0.4
279.06744	0.8
288.08032	0.3
290.05981	0.2
291.06622	1.7
292.07224	0.4
293.08279	3.1
294.08618	0.4
303.06763	1.5
304.07236	1.0
305.04877	0.4
305.08130	1.9
306.05487	0.6
306.08731	0.3
307.06293	1.3
319.06229	0.8
320.06876	1.0
321.07745	1.9
331.06219	1.1
332.06900	0.8
347.05658	0.3
348.06329	1.2
349.07254	100.0
350.07590	11.3
360.22894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	48.5
70.98561	8.8
71.52126	14.8
137.09697	11.9
171.10176	26.4
243.86189	9.5
290.97235	24.9
291.19666	85.5
309.20755	100.0
345.20804	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	345.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12113	0.4
59.01264	100.0
60.01591	0.7
69.89935	2.1
82.60879	0.4
111.35634	0.3
112.80196	0.4
115.69112	0.4
135.47649	0.4
142.06960	0.3
171.87071	0.3
211.13383	7.2
285.17184	0.5
345.22620	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	345.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50898	1.1
56.36520	1.3
59.01263	25.3
69.81705	6.9
84.70985	1.3
98.19771	1.5
113.51908	1.4
159.78938	1.2
169.24380	1.2
263.20200	100.0
264.20502	9.6
345.20551	22.8
346.20853	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	345.229
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03337	1.1
59.01257	1.1
69.03337	0.3
69.85707	1.2
71.01257	0.4
71.04896	0.6
72.99174	0.4
73.02836	0.4
81.03349	0.4
83.04916	2.0
84.02038	1.0
85.02816	1.2
85.06482	0.5
86.43392	0.2
91.63055	0.3
95.04929	0.2
96.79035	0.2
97.06483	0.3
98.20550	0.3
99.08052	3.4
100.26617	0.2
101.05980	0.3
103.49140	0.2
111.08060	1.0
113.09640	0.4
122.05493	0.2
123.07296	0.3
123.08066	1.5
125.02307	0.3
125.09631	1.7
129.09134	0.3
136.01591	0.3
137.02289	0.2
137.09630	0.9
139.07538	0.3
139.11218	0.2
141.09143	1.8
141.12750	0.4
151.00288	0.2
151.11186	1.5
153.12784	0.9
155.83731	0.2
163.11201	1.5
169.12302	0.6
179.10651	0.3
181.12292	10.8
182.12686	0.9
199.13362	0.4
201.11252	0.4
227.12881	3.8
244.43620	0.2
245.13942	2.6
327.21902	0.5
345.22867	100.0
346.23196	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	345.0623
Annotation	Myricetin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01777	1.2
59.01261	0.9
61.14888	0.3
65.08948	0.3
69.03354	0.5
70.96946	0.7
71.04906	22.5
72.05262	0.5
81.63400	0.3
83.01293	1.0
91.05463	0.3
93.03339	0.7
95.04925	13.8
96.05275	0.6
96.38051	0.3
97.02853	19.6
98.03178	0.4
99.00783	0.4
109.02863	1.3
115.03932	2.1
121.02850	1.0
123.00873	0.4
123.04453	0.7
124.01569	0.5
133.02892	2.6
134.23515	0.3
135.04471	1.5
137.02365	1.4
138.03116	0.3
139.03940	100.0
140.04274	3.4
147.04408	0.5
149.02354	0.6
149.06015	0.5
150.03214	0.4
159.04361	0.5
161.02388	18.4
162.02762	0.9
163.00316	0.7
165.01901	3.6
165.05424	0.4
172.05182	0.4
173.06065	0.6
177.05589	1.5
179.03395	0.7
183.02956	48.0
184.03304	2.2
187.07616	6.5
191.03433	2.1
201.05531	0.5
215.07088	0.8
231.10278	2.5
286.04752	0.4
299.05444	0.3
301.07251	8.4
302.07437	0.6
327.05176	0.6
327.08826	0.4
345.06207	49.3
345.22763	1.2
346.06540	5.2
346.16766	0.9
363.55286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1099
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01258	1.5
66.62802	0.4
67.59480	0.5
69.27458	4.8
76.54013	0.4
76.65328	0.4
84.04447	1.2
94.02853	0.6
94.71692	0.5
95.03662	1.9
96.08118	0.8
97.01592	0.6
99.59349	0.5
104.04972	1.4
106.06533	5.3
107.01297	0.8
110.05986	0.6
112.03951	0.8
120.04477	0.5
121.02890	0.6
122.06019	2.1
123.03185	1.0
124.07597	5.1
125.02366	0.6
132.04486	36.7
133.05278	17.2
134.06082	6.2
135.04480	0.5
138.05568	0.8
146.02338	0.7
148.03984	1.6
150.05519	1.7
165.04274	27.8
166.04616	1.0
167.03430	1.0
172.11272	0.6
176.03453	1.4
176.07062	0.8
177.01776	0.5
177.04260	3.5
178.05014	1.4
184.07686	1.1
186.09229	4.6
187.08791	0.7
198.09190	0.8
209.03308	4.2
210.03665	0.6
212.10649	0.6
213.06686	3.7
214.07043	0.5
214.12370	6.1
215.11853	6.2
216.12146	0.6
226.07513	1.2
227.08258	1.3
229.09877	3.5
240.10399	1.5
241.09892	3.3
255.11414	1.4
257.12991	21.8
258.13232	1.3
283.10944	7.8
284.11127	1.0
301.12003	15.9
302.12228	1.0
313.40387	0.6
327.03687	1.9
327.09872	1.1
345.10974	100.0
346.07404	0.8
346.11319	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	343.2496
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03321	0.7
59.01266	3.0
71.01266	0.5
84.97710	0.3
88.97102	0.4
89.02299	0.6
95.04936	0.3
97.06467	0.6
98.20609	0.7
99.08055	2.3
109.06506	0.5
113.09637	0.8
119.03389	0.5
121.02875	0.8
121.10143	7.8
125.09642	1.3
127.10410	0.3
127.11152	2.2
137.09641	1.7
139.11205	1.6
153.09120	0.5
165.09192	0.7
171.10219	51.8
172.10573	2.4
192.31676	0.4
193.12300	2.9
199.42256	0.4
201.02225	0.5
211.13492	0.5
225.14934	4.8
226.46796	0.4
237.55161	0.3
243.15953	1.4
289.18152	4.5
290.18558	0.6
293.21301	2.5
307.19281	0.9
307.23267	0.4
313.23767	0.4
343.24945	100.0
344.14902	0.6
344.25317	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2496
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03333	0.7
59.01252	2.6
69.03346	1.6
70.65802	0.8
71.01260	0.6
71.04900	0.2
81.03307	0.3
83.04914	1.4
85.02860	0.3
89.02348	0.3
97.06487	1.0
99.08053	9.6
112.81591	0.2
113.39294	0.3
121.02833	0.4
121.10142	1.1
123.08086	0.3
125.09605	1.7
127.11255	0.5
137.09642	0.9
139.11299	0.5
149.13290	0.7
151.11272	0.7
152.00394	0.2
153.09094	0.5
163.11133	0.3
165.12802	0.7
167.10750	0.3
171.10217	9.6
172.10570	0.3
175.11189	1.3
185.11787	0.3
185.97450	0.2
193.12311	15.6
194.12569	1.1
197.11682	0.3
197.15462	1.0
201.02586	0.3
211.13367	3.7
225.14954	22.3
226.15341	1.3
243.16017	8.4
244.16364	0.9
264.43289	0.3
293.21347	2.2
294.21426	0.3
295.90909	0.3
311.22452	0.4
313.23950	0.3
325.23978	0.6
343.24942	100.0
344.15897	0.4
344.25284	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	343.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51750	0.3
55.01764	0.5
57.03341	3.0
59.01274	1.7
59.13478	0.3
60.07014	0.4
69.03349	1.3
71.01273	0.9
71.04903	2.3
71.34446	0.6
73.02818	0.5
80.02576	0.8
81.03352	0.8
83.04919	3.4
84.02052	3.2
85.02846	3.3
85.06483	1.3
87.04404	1.9
93.03334	0.7
95.04927	5.9
97.02850	0.5
97.06488	3.2
99.04405	0.5
102.49509	0.4
106.04140	0.9
109.06486	0.7
111.04390	0.4
113.05988	1.2
123.08047	1.4
125.09643	1.7
127.11182	1.3
133.06549	0.6
135.08084	2.1
137.09656	1.1
141.09247	0.6
153.09158	1.4
153.12738	0.6
155.10707	0.5
163.11307	0.6
164.86810	0.4
165.12834	0.5
167.14319	1.0
171.10219	25.9
172.10536	1.5
181.12312	2.4
183.13885	2.1
185.11807	0.4
187.09770	0.4
193.12299	1.0
195.10143	0.4
197.11821	0.5
201.11263	1.3
209.11780	3.0
211.13374	10.6
211.15453	0.5
212.13762	0.5
213.14989	0.4
221.11819	1.6
227.12854	1.0
229.14471	13.3
230.14738	0.4
235.13390	0.4
237.14958	5.5
239.12889	1.2
241.14706	0.4
245.13985	0.8
245.19133	0.5
249.14989	1.8
255.16077	0.8
261.18686	0.4
267.16119	1.0
289.18164	1.0
297.66602	0.3
302.33408	0.4
307.19196	0.8
325.20242	5.6
326.20529	0.5
328.11444	0.4
343.21313	100.0
344.15451	0.5
344.21634	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	343.2134
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.03010	0.4
57.03334	4.4
58.00468	0.6
59.01268	5.4
62.05930	0.3
69.03336	1.0
71.00904	0.5
71.01268	5.9
71.04897	1.0
71.51540	0.5
72.99180	0.4
73.02827	2.2
83.01269	1.1
83.04919	1.6
84.02055	0.9
85.02838	3.1
85.06475	0.7
87.04401	3.3
93.03352	0.3
95.04926	2.2
97.06494	1.1
101.02338	1.1
109.02854	2.0
109.06509	1.7
110.03643	1.3
111.08037	2.1
113.05983	0.7
121.02858	0.9
123.08068	0.4
127.07500	0.5
127.11191	1.0
133.02907	0.9
135.04442	2.4
135.08095	0.5
136.01602	0.8
137.09625	1.0
141.09158	0.5
147.04408	0.5
153.12720	0.5
155.10710	4.8
159.27531	0.4
161.09677	0.5
164.01152	0.6
165.12772	0.4
169.12277	2.4
171.10234	0.9
173.09598	0.5
177.01897	0.7
179.10753	1.0
181.12312	1.5
185.11789	0.4
191.10715	1.9
192.10986	0.4
193.12312	0.6
197.11801	4.5
199.13422	2.6
201.01955	0.4
201.11292	1.2
203.05917	0.4
209.04517	1.6
209.11882	2.2
209.15468	0.5
211.13362	4.0
219.13835	0.5
221.11827	0.6
227.12979	0.4
237.14943	3.1
239.12822	0.4
241.14372	0.9
253.04861	0.6
255.16063	1.6
261.18655	0.5
269.04633	0.4
273.13513	1.0
289.18332	0.4
298.04904	2.6
301.20193	1.4
310.04874	1.1
313.07120	0.5
325.07083	0.8
325.20300	2.0
328.05893	2.2
343.08322	8.7
343.21313	100.0
344.08646	1.0
344.15286	0.8
344.21664	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	343.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11124	0.3
51.37739	0.4
51.95890	0.3
57.03328	0.8
58.00477	2.3
59.01260	3.0
61.98737	0.3
69.46732	0.3
71.01270	1.0
72.99189	0.6
73.02822	1.8
74.31971	0.3
83.04905	0.4
97.06493	1.5
99.00795	0.5
104.63916	0.3
111.18169	0.4
113.09675	0.5
121.02869	1.2
137.02287	0.4
137.09525	0.4
139.11201	1.5
141.12779	9.2
151.11165	0.4
155.10751	0.5
163.11293	0.5
167.10699	1.2
169.10858	0.7
169.12294	19.5
170.12628	1.1
171.10225	1.1
171.13870	3.6
179.10725	0.9
181.12251	1.6
187.09796	0.6
195.08453	0.4
196.08789	0.9
197.11803	1.8
199.13374	29.6
200.13715	2.0
212.92867	0.4
213.09541	0.9
214.09921	1.8
215.09192	0.4
215.12900	1.9
229.14703	0.4
243.08594	0.4
243.12543	0.6
245.13960	100.0
246.11980	0.6
246.14313	6.4
261.18607	0.7
279.19678	1.6
307.19040	0.4
325.07162	0.8
325.20242	13.7
326.20630	1.7
343.08127	2.1
343.21310	44.8
344.15402	0.4
344.21646	5.4
349.82733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2133
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
50.95506	0.3
51.89889	0.3
52.22565	0.3
57.03336	2.2
58.00473	0.6
59.01253	1.6
69.03335	0.7
71.01271	1.5
71.04897	0.9
72.99185	0.5
73.02840	0.8
81.03353	0.6
83.04903	3.3
84.02061	1.7
84.85558	0.3
85.02838	3.5
85.06470	0.9
87.04424	0.7
95.04954	1.6
97.02839	0.6
97.06493	3.9
99.04400	0.9
101.06010	0.3
109.06483	0.5
110.03665	0.3
111.08060	0.7
113.05984	0.4
113.09644	0.6
117.61379	0.4
121.02862	0.5
123.08092	1.6
125.09683	1.5
127.11218	0.8
135.04388	0.6
135.08083	0.7
136.03958	0.9
137.09642	1.4
141.09152	1.8
147.03185	0.6
148.01669	0.4
148.02840	0.3
151.11256	1.5
153.12772	1.1
155.10709	1.4
163.03914	0.4
163.11200	1.0
169.12296	0.4
171.10216	4.2
177.01927	0.4
179.10689	0.4
181.12323	7.8
182.12666	0.6
183.13980	0.6
187.09726	1.5
193.12283	0.5
201.11296	0.5
209.11794	2.6
211.13385	3.2
221.11885	0.6
227.12895	3.2
229.14452	4.0
237.15019	2.5
239.12904	0.4
240.29765	0.4
245.13992	2.1
255.12431	0.5
261.18573	0.6
267.06766	0.4
284.03244	1.0
289.18265	0.6
295.06256	1.0
299.05609	0.7
299.09134	0.5
300.06033	0.4
307.06210	1.4
307.19290	0.7
325.07318	3.8
325.20264	2.1
326.07465	0.6
343.08554	3.9
343.21320	100.0
344.08734	0.7
344.21667	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	343.083
Annotation	3',4',5'-O-Trimethyltricetin
Peak:m/z	Relative Intensity
59.01245	1.5
61.98708	0.3
70.81419	1.0
71.01259	0.5
105.03346	0.3
107.01273	0.3
108.26387	0.3
109.02850	0.7
116.48610	0.3
121.02807	0.8
125.63417	0.3
128.92621	0.3
133.02844	0.6
135.04465	0.4
148.01584	2.6
149.02362	0.6
150.03061	0.4
161.02385	0.6
165.01880	0.7
172.05212	0.3
177.01920	1.9
188.01118	0.8
189.01830	0.5
191.03398	0.4
198.70740	0.3
201.01877	0.6
213.05568	0.6
214.06380	0.5
225.05586	1.6
226.06175	1.0
237.05527	0.6
241.05115	3.2
242.05542	0.5
253.05070	2.1
254.05771	0.7
265.05063	0.9
269.04590	3.6
270.05371	1.4
281.04645	2.2
282.05191	0.7
297.04080	3.6
298.04880	35.7
299.05255	4.2
309.04077	5.5
310.04883	27.8
311.05377	3.6
313.07224	2.8
325.03366	0.6
325.07214	11.0
326.07666	0.8
328.05936	26.4
329.06302	2.5
341.06830	0.6
343.08273	100.0
344.08646	11.4
344.15173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1555
Annotation	Oleiferin F
Peak:m/z	Relative Intensity
52.27568	0.4
52.42372	0.4
57.03337	0.7
59.01260	3.5
59.77948	0.4
60.47052	0.4
60.81610	0.4
64.30612	0.5
65.03855	3.4
65.19073	0.4
67.01781	1.3
70.11867	1.7
71.01265	1.0
72.05707	0.5
83.04877	0.5
85.02864	0.6
91.05429	8.1
93.03366	1.9
95.04942	0.6
97.02847	0.5
108.02094	3.2
109.02863	41.2
110.03204	1.7
115.95108	0.4
121.02881	13.0
123.04416	2.4
133.02917	0.9
134.03673	0.9
135.04446	69.1
136.04802	2.8
141.12843	0.5
147.04448	12.2
148.05164	0.7
149.06018	1.6
159.04453	1.0
160.05208	0.9
161.05989	3.5
167.07111	0.7
169.12253	0.8
171.10161	1.3
173.06096	0.6
180.07889	1.1
181.08665	1.1
187.09821	0.5
193.08670	2.3
194.09332	0.6
195.10202	5.2
197.66508	0.5
199.13324	0.8
201.09204	1.3
205.08707	1.1
206.09474	3.9
207.08235	0.6
209.11842	0.8
210.06834	0.7
211.13391	1.3
217.08786	0.7
218.09561	0.5
219.10309	3.1
221.11824	10.2
222.12047	0.7
225.09262	2.4
226.09538	0.6
227.07164	1.3
227.13071	0.6
239.10898	1.3
241.08746	1.4
245.13979	3.7
251.07216	0.9
254.05846	0.8
255.06474	0.8
258.12567	1.1
260.10764	0.6
265.08884	0.5
269.08258	2.9
269.11890	0.9
270.08783	0.7
271.09686	0.5
273.14990	0.5
275.16638	1.3
283.09897	2.3
283.12973	0.7
284.14182	0.7
285.11499	0.6
286.12167	1.2
293.11972	0.8
295.10031	0.6
301.14450	0.6
310.12183	1.7
311.12952	1.0
313.10968	5.6
314.11258	0.6
314.47241	0.6
325.14481	1.7
327.12549	0.9
328.13232	3.0
343.15579	100.0
343.21234	6.4
344.15881	12.7
344.19971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42179	0.2
57.03319	0.9
59.01233	0.6
68.97215	0.2
87.04409	0.3
109.02843	0.7
121.02860	0.7
133.02892	0.5
136.01535	0.2
136.95593	0.2
148.01602	2.8
149.02370	0.7
161.02321	0.5
164.01021	0.2
165.01872	0.8
173.02408	0.3
177.01857	2.2
188.01093	0.7
189.01843	0.7
190.02695	0.6
191.03479	0.3
198.06737	0.3
201.01891	0.3
202.02710	0.3
209.05937	0.3
211.03957	0.4
213.05545	0.4
213.11314	0.5
214.06320	0.6
219.02904	0.3
225.05608	1.3
226.06277	1.0
227.03496	0.5
237.05576	0.9
237.14943	0.2
239.03448	0.3
241.05081	2.0
242.05780	0.8
253.05106	2.3
254.05702	0.9
255.03064	0.6
255.16161	0.3
259.20447	0.2
265.05151	1.1
266.05768	0.3
269.04611	2.7
270.05313	1.6
271.05853	0.3
280.03857	0.3
281.04608	2.7
282.05133	0.7
283.02832	0.4
293.04831	0.3
297.04153	3.2
298.04877	36.1
299.05237	3.3
301.20346	0.3
309.04117	5.0
310.04880	25.3
311.05331	3.5
313.07306	2.5
314.07581	0.3
325.07236	10.3
326.07553	1.0
328.05945	25.2
329.06335	2.4
341.06784	0.5
343.08286	100.0
343.21277	12.8
344.08633	11.6
344.21680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54121	0.3
57.03324	0.9
58.00474	0.4
59.01264	11.0
60.01596	0.3
62.57430	0.3
69.03347	2.1
70.92623	0.8
71.01270	7.2
71.04919	0.3
72.99201	0.6
81.03326	0.4
83.01254	0.3
83.04920	1.5
84.02056	8.9
85.02839	1.2
87.00773	0.6
89.02336	7.2
95.01217	0.3
95.04916	0.4
97.02864	2.7
97.06493	8.9
98.06828	0.4
99.04429	2.5
101.02341	3.9
111.08086	0.4
113.02351	2.6
114.02643	0.3
119.03419	3.2
119.08601	0.6
121.10091	0.4
122.85956	0.3
125.05979	0.4
125.09628	1.3
127.11199	0.5
131.03430	0.4
135.08058	0.6
137.09645	1.0
143.03412	0.9
147.49750	0.3
149.13280	0.4
161.04469	1.0
165.12770	0.9
165.64986	0.3
171.10222	16.4
172.10564	1.0
175.11201	1.0
179.05565	2.9
183.01106	0.7
183.13901	3.9
185.11807	0.8
186.04851	0.4
193.12311	11.4
194.12601	0.7
195.89328	0.3
197.02739	6.8
197.11710	0.4
197.15498	0.4
198.03438	0.6
211.04381	0.3
211.13365	2.8
219.31335	0.3
221.11723	0.7
223.16954	0.7
225.14955	14.9
226.15332	1.4
233.15509	0.6
243.16023	6.9
244.16231	0.4
253.14545	1.7
253.18352	0.3
291.19644	1.1
305.21231	0.6
323.18637	0.4
323.22284	0.6
341.11542	4.1
341.18106	14.7
341.23370	100.0
342.11356	0.6
342.18423	2.3
342.23697	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	343.0467
Annotation	Aflatoxin-M1-8,9-epoxide
Peak:m/z	Relative Intensity
51.71296	0.4
51.96947	0.4
53.11110	0.4
55.01758	1.3
57.03310	0.5
59.01263	2.5
59.27692	0.4
63.90710	0.5
65.00191	1.5
65.58183	0.4
66.70441	0.4
69.03339	0.4
69.29040	2.4
69.29473	1.8
71.01279	0.9
71.04896	0.6
77.03851	3.3
78.95790	0.5
79.01786	14.1
80.51438	0.5
83.04885	0.5
85.02833	0.8
85.22850	0.5
89.02314	0.9
89.03848	1.0
93.03319	0.5
95.04917	0.7
97.02847	14.8
108.02066	0.7
109.02879	3.2
121.01971	0.6
121.02868	11.3
123.04408	1.6
133.02882	11.0
134.03203	0.5
135.04448	0.5
137.02414	1.0
139.03955	0.7
141.05687	0.4
141.06926	0.6
147.00887	0.6
147.04385	0.8
148.01546	1.3
149.02370	4.6
151.03908	1.8
157.06520	0.6
161.02301	0.8
163.00290	1.7
164.00876	0.5
165.01886	13.3
166.02187	0.5
167.06107	5.1
171.04459	0.8
171.10225	2.7
174.03085	0.5
175.03958	9.7
177.02029	0.5
183.01289	0.5
183.02884	0.9
183.04451	0.7
183.08064	1.3
185.06018	2.6
187.07593	1.9
189.05507	1.6
190.02710	1.4
190.99785	0.8
196.05222	0.6
197.02742	0.6
198.03165	1.3
198.36208	0.5
199.03995	5.6
199.07626	1.4
201.01915	3.2
203.07074	0.8
209.05959	1.0
211.05113	4.1
211.07576	2.5
211.13309	0.6
212.04773	1.4
213.02451	0.5
213.05591	9.0
214.05916	1.0
216.04169	0.5
225.05583	0.6
227.07123	3.0
229.05067	1.5
229.14493	1.0
231.06642	13.8
232.06902	0.8
237.05603	1.7
240.04309	1.7
243.06612	0.7
253.05200	0.6
254.05775	0.6
255.04134	2.0
255.06676	7.5
256.04306	0.6
256.06891	0.9
257.04654	1.0
271.06119	2.0
281.04639	1.2
299.05676	100.0
300.05963	8.5
325.03622	1.1
325.20316	0.9
343.04654	40.7
343.11755	1.0
343.16098	3.9
343.21182	8.8
344.05038	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	341.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
57.09122	0.6
58.65623	0.6
59.01264	21.0
59.41684	0.5
59.80777	0.6
60.12250	0.5
69.03343	1.0
69.28127	1.9
69.28545	3.4
70.90619	0.5
71.01268	12.5
72.99208	0.6
73.85583	0.5
75.01478	0.5
77.05247	0.7
81.22562	0.4
84.02060	14.2
85.02842	1.9
86.84307	0.5
87.00780	0.7
89.02337	15.2
90.02634	0.8
95.01292	0.9
97.02850	9.1
97.06480	3.4
98.19846	1.2
99.04429	3.7
101.02331	5.4
107.27545	0.5
109.02865	1.0
111.08102	1.1
113.02345	5.1
119.03421	5.4
119.08571	2.5
121.02849	0.6
125.09619	1.3
127.11204	1.1
131.03413	0.7
135.04440	1.4
135.08083	1.9
137.09645	2.5
141.54387	0.6
143.03412	1.4
148.09554	0.5
161.04463	1.8
171.10222	47.7
172.10582	2.8
179.05576	7.5
193.12300	6.0
197.02748	3.1
205.08530	0.5
211.13400	0.9
225.14972	6.2
230.02734	0.6
239.12863	0.7
243.15994	2.1
253.14526	1.5
277.16281	0.6
291.19806	5.4
292.20078	0.6
327.11932	0.6
341.10934	8.8
341.18228	6.6
341.23373	100.0
342.17786	0.8
342.19006	0.6
342.23788	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	341.1974
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
57.03336	2.6
58.00482	8.0
59.01265	34.7
69.03349	2.9
69.74002	3.2
69.74417	2.7
71.01273	22.7
71.04914	3.0
73.02837	26.3
83.01286	1.1
83.04909	4.7
84.02059	2.0
85.02855	6.2
87.00770	1.2
89.02342	24.9
93.03360	2.5
95.01264	1.2
95.04931	1.4
97.06530	3.0
101.02345	10.5
101.05968	2.6
104.36713	1.1
109.06496	3.0
111.04414	1.4
113.02339	7.5
113.06016	1.4
115.07574	1.9
119.03413	11.2
123.04501	1.2
123.08054	4.1
125.09629	1.3
129.05501	1.5
131.03448	1.9
137.09679	1.6
139.11263	2.1
141.12778	3.3
143.03407	2.7
143.07059	1.6
149.04527	1.6
149.09682	1.6
151.07597	1.7
151.11224	2.4
155.10742	1.6
157.08636	1.9
161.04613	5.0
161.09663	1.2
163.11154	2.4
167.10727	1.1
169.08681	1.0
169.12320	14.2
171.10178	5.4
179.05588	13.4
185.11798	3.9
197.11855	8.3
199.09799	1.2
199.13397	4.2
201.11272	9.3
209.11804	4.6
211.09660	2.7
213.11331	7.2
215.12921	2.5
221.11884	1.9
223.13426	9.4
227.12930	3.2
231.12350	2.5
239.13033	1.5
243.12405	100.0
244.12796	6.1
245.14006	9.1
247.13422	2.0
265.14404	1.6
267.56067	1.1
281.12335	1.7
305.17548	1.9
323.18732	18.5
341.10880	22.2
341.14960	1.9
341.19757	60.6
341.23282	2.8
342.11322	1.3
342.19870	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	341.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.6
58.00474	3.1
59.01265	100.0
61.98743	1.0
71.01270	59.9
71.21606	2.1
72.99178	3.6
73.02840	5.1
75.00733	1.0
83.01283	4.0
85.02837	9.1
87.00773	4.1
89.02335	56.9
95.01281	2.1
99.00761	1.5
101.02347	33.1
103.53773	1.1
103.77400	1.2
108.20973	1.1
113.01630	2.0
113.02361	22.7
119.03416	24.4
119.07056	3.3
125.02407	1.4
131.03403	2.5
133.16850	1.2
143.03452	7.6
149.04517	2.3
159.03024	1.2
161.04510	20.8
175.95532	1.1
179.05568	24.4
210.31111	1.1
281.12463	36.4
282.13031	2.6
314.98587	1.1
329.64914	1.3
341.10992	33.9
342.11389	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	341.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	6.0
58.00476	2.9
59.01263	60.0
67.01771	1.8
68.68446	1.5
69.03336	5.3
71.01268	38.7
71.04905	28.4
71.25476	2.5
71.25796	2.1
72.01569	1.7
72.99206	3.6
73.02816	3.3
78.49484	1.4
81.03342	24.4
83.04906	20.3
85.02840	9.2
87.00752	1.7
87.04438	3.5
89.02332	43.4
93.03364	2.5
95.01285	3.6
95.04907	10.7
97.02836	9.1
97.06474	4.0
98.38445	1.5
99.00778	1.9
99.04413	33.6
101.02344	19.2
101.05996	2.9
106.04177	2.0
107.04939	1.9
108.02111	2.0
109.02859	5.9
109.06496	9.0
111.04395	7.4
113.02353	13.6
115.03884	1.8
119.03410	16.3
121.02862	4.2
123.04435	4.1
123.08039	4.6
125.09647	3.9
126.51204	1.6
127.07498	2.4
127.11248	1.9
133.06528	2.9
135.04465	6.1
137.05977	3.0
139.11285	2.0
143.03450	3.6
149.04501	2.2
151.07561	13.2
153.09190	3.4
155.10715	3.2
161.04489	6.6
161.06017	6.0
165.09183	2.3
165.12802	1.7
171.10201	38.0
172.10515	2.0
179.05573	16.8
185.11794	2.3
189.12787	4.3
189.70691	1.5
191.14395	6.2
193.12276	14.7
201.11331	2.2
207.13998	1.7
209.11806	5.5
211.13333	3.2
213.11244	3.1
217.12372	1.8
221.11792	2.5
225.14905	2.4
235.13393	39.6
236.13808	3.2
239.12947	3.6
243.17647	3.1
244.39264	1.5
253.14470	100.0
253.27621	1.6
254.14874	9.3
265.14603	2.0
283.09863	9.8
287.16547	23.0
288.16745	2.4
305.17587	13.1
323.18640	8.5
326.11240	1.8
341.06653	2.7
341.10883	23.2
341.14331	5.1
341.19717	37.3
341.23770	3.4
342.10953	3.7
342.20078	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.6
58.00474	3.1
59.01265	100.0
61.98743	1.0
71.01270	59.9
71.21606	2.1
72.99178	3.6
73.02840	5.1
75.00733	1.0
83.01283	4.0
85.02837	9.1
87.00773	4.1
89.02335	56.9
95.01281	2.1
99.00761	1.5
101.02347	33.1
103.53773	1.1
103.77400	1.2
108.20973	1.1
113.01630	2.0
113.02361	22.7
119.03416	24.4
119.07056	3.3
125.02407	1.4
131.03403	2.5
133.16850	1.2
143.03452	7.6
149.04517	2.3
159.03024	1.2
161.04510	20.8
175.95532	1.1
179.05568	24.4
210.31111	1.1
281.12463	36.4
282.13031	2.6
314.98587	1.1
329.64914	1.3
341.10992	33.9
342.11389	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	341.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
59.01265	8.8
65.03835	1.9
67.01774	0.8
67.02546	0.6
71.01265	7.5
71.04911	0.6
71.59430	0.8
81.03345	1.2
83.04908	1.2
85.02837	0.8
87.00754	0.5
89.02333	6.7
91.05417	6.8
93.03348	1.7
95.04949	0.6
97.02850	1.5
101.02346	3.0
107.04907	1.3
108.02081	2.2
109.02145	1.0
109.02861	15.3
109.03603	0.8
109.06458	0.5
110.03196	0.9
111.04401	0.6
113.02325	2.7
117.07005	2.8
119.03419	2.4
119.04945	1.7
121.02864	14.7
123.04449	1.0
123.08092	0.7
133.02885	2.1
134.03635	3.3
135.04445	54.6
136.04788	2.0
137.06017	0.6
143.03401	0.8
146.03667	0.8
147.04454	18.0
147.08076	1.8
148.05144	0.6
149.06012	5.4
159.04462	4.0
160.05130	0.7
161.06020	43.0
162.06395	1.2
171.10260	0.8
173.06030	9.4
174.06770	3.3
175.07541	1.6
176.65996	0.7
179.05606	2.8
183.71024	0.5
185.05939	0.6
185.11661	0.7
187.07585	2.0
189.09181	5.8
190.09415	0.6
199.07513	0.6
201.09204	2.8
205.08638	0.9
209.11800	0.6
213.09192	1.4
213.11276	0.7
215.07387	0.5
215.10811	0.8
219.10257	0.6
221.09760	0.5
223.07585	0.7
237.09302	0.5
239.10780	0.9
241.08722	2.1
247.82761	0.5
253.05095	0.7
253.14511	0.8
254.05893	0.6
265.08841	3.3
268.07352	1.1
283.09808	100.0
283.85446	0.5
284.10126	8.2
284.13025	0.9
323.12918	11.1
323.18610	1.1
324.13324	1.4
341.06689	0.9
341.10181	3.3
341.14639	3.1
341.19748	6.5
358.38480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	4.1
60.86800	0.4
65.03855	2.2
69.03339	0.4
70.29745	0.8
70.30128	0.9
71.01266	3.0
79.05410	0.8
80.02542	0.6
87.00745	0.4
89.02338	5.0
91.05428	5.6
93.03347	1.7
95.04947	0.6
97.02854	1.1
97.30034	0.3
101.02367	1.8
105.07002	2.9
107.04943	1.5
108.02084	6.3
109.02866	20.0
110.03202	0.8
113.02327	1.6
119.03419	2.0
119.04952	0.5
121.02876	18.0
121.06501	0.5
122.03692	4.2
123.04444	13.3
123.45762	0.4
124.04772	0.6
126.73262	0.4
133.02892	1.8
133.06516	0.4
134.03673	2.5
135.04446	66.4
136.04747	2.1
143.03418	0.8
145.06598	0.4
146.03664	0.8
147.04457	13.4
148.05240	1.9
149.06021	26.1
150.06369	1.1
151.03943	0.7
159.04408	0.6
161.04645	0.6
161.06017	10.4
162.06824	6.1
163.04004	0.6
163.07330	0.5
173.06007	1.6
175.03905	0.6
175.07623	0.9
179.05617	3.3
185.06091	0.5
186.06841	0.8
187.07602	1.2
187.80336	0.5
188.04715	0.5
190.57219	0.4
193.08652	4.1
194.55823	0.5
197.06021	0.7
199.07588	0.5
201.09229	2.5
203.07118	0.8
203.10706	0.5
205.08667	5.1
209.09683	0.6
211.07657	1.1
212.08209	0.6
213.09245	0.6
215.07118	0.6
219.10280	14.8
220.10649	1.2
225.09277	0.7
227.10884	2.1
229.08728	1.7
231.10268	1.9
241.05161	0.6
253.08710	2.8
254.05817	0.6
255.06694	1.3
256.07401	1.6
269.08200	1.5
271.09821	18.9
272.10223	1.8
323.12955	1.8
341.14038	100.0
342.14340	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	341.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.1
59.01263	20.0
65.03857	1.6
67.01758	1.0
69.03329	1.4
71.01266	14.2
71.04903	1.9
72.99217	1.1
73.02826	1.0
75.75896	0.8
79.05426	0.9
81.03344	1.0
83.04919	1.5
85.02853	3.0
87.00772	1.3
89.02337	16.9
91.05441	4.9
93.03401	1.6
95.01266	1.2
95.04908	1.8
97.02844	2.7
99.04395	1.6
101.02335	6.7
105.08742	0.9
107.66444	0.9
108.02071	5.8
109.02866	16.9
113.02357	5.3
119.03400	7.3
119.04935	1.1
121.02875	23.5
122.03678	2.0
123.04446	1.1
131.03413	0.9
133.02863	3.4
133.06494	1.0
134.03712	6.3
135.04445	38.8
136.04767	1.5
137.06027	1.1
143.03482	1.1
147.04443	10.1
149.02357	1.0
149.06052	2.0
151.07631	1.1
159.04572	1.6
160.05325	1.3
161.04517	2.6
161.06042	5.5
162.06781	1.4
163.07613	3.7
163.11217	1.1
171.10219	3.7
173.06046	4.5
175.07607	12.0
179.05557	8.3
185.06035	1.7
187.07684	4.4
189.09158	6.5
193.08701	6.6
194.08940	1.2
199.07617	1.0
201.09204	8.3
201.11147	2.1
202.09969	3.6
205.08687	13.0
213.09215	2.4
219.08266	1.8
219.10266	21.7
220.10641	1.9
231.10275	4.5
232.87518	1.0
235.13416	1.8
237.06474	1.0
241.05042	1.8
253.14604	2.0
256.07477	3.5
283.09698	2.4
287.16626	1.5
297.07730	1.1
305.17667	1.9
311.13132	1.6
323.12860	5.4
335.05371	1.0
341.10989	6.7
341.14066	100.0
341.19620	8.5
342.14386	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	339.2335
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
60.47761	0.4
71.35088	0.8
97.63340	0.3
99.19356	0.4
147.08075	0.9
163.11227	100.0
164.11546	3.6
206.07410	0.4
337.48685	0.4
339.23343	46.1
340.23648	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	341.1095
Annotation	Sucrose
Peak:m/z	Relative Intensity
51.83376	1.0
55.23955	1.2
58.00469	3.4
59.01263	88.4
67.62224	1.2
70.94088	1.3
71.01269	58.3
71.14313	2.9
72.99210	2.9
73.02841	2.1
83.01273	2.3
85.02845	8.8
87.00774	4.7
89.02335	93.1
90.02676	1.8
95.01284	3.5
101.02342	29.3
107.03421	1.5
113.02363	30.3
119.03416	45.3
119.04263	2.6
125.02361	1.4
131.03406	7.5
143.03435	14.2
149.04491	6.5
157.37903	1.2
161.04486	16.4
166.22882	1.2
179.05568	61.9
180.05873	1.9
341.10934	100.0
342.11142	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	341.14
Annotation	Millinolol
Peak:m/z	Relative Intensity
52.76338	0.9
57.03337	2.3
58.00483	2.0
59.01266	52.3
60.01580	1.6
61.06963	1.1
65.00267	1.2
65.03851	1.7
69.03337	1.2
71.01270	43.6
71.46558	1.7
71.46887	1.2
72.99194	2.8
73.02859	1.6
83.01283	1.8
85.02819	5.1
86.85250	1.0
87.00798	2.1
89.02338	41.4
91.05456	1.6
93.03345	1.9
95.01289	6.1
101.02344	20.4
105.07005	1.8
107.04967	2.2
108.02058	2.0
109.02864	24.5
110.03118	1.1
113.02367	13.6
119.03414	16.2
119.04913	1.4
121.02860	7.5
121.06568	1.5
123.00782	2.6
123.04442	2.0
124.01586	11.8
131.03401	2.5
131.04941	2.4
133.02910	7.2
134.03621	2.6
135.04460	14.7
136.01579	5.0
137.02377	97.3
138.03241	6.0
143.03427	4.3
145.02893	2.7
147.04453	5.1
149.02367	16.5
149.04346	1.5
149.04929	1.5
149.06024	10.5
150.03090	2.4
151.03993	1.9
157.78302	1.3
159.04477	3.4
161.02361	4.8
161.04509	5.1
161.05785	1.3
162.03052	1.3
163.03952	3.0
163.07631	1.3
163.11189	5.6
165.09126	3.7
171.04448	1.7
173.05937	1.3
175.03943	4.1
175.07643	1.7
177.05534	33.9
177.09062	2.2
178.05917	2.1
179.05576	18.9
179.07008	2.0
187.07642	1.2
189.09186	8.6
191.07109	9.9
192.07896	100.0
193.08548	14.4
197.02808	1.0
201.09148	2.1
204.07841	1.0
205.08778	6.9
205.10393	1.2
207.10219	1.4
213.09196	3.9
231.10313	4.0
253.05092	2.1
254.05864	4.1
267.06458	1.2
268.07339	1.6
269.11942	4.7
272.06964	34.0
273.07190	3.8
280.07401	1.7
281.12460	2.1
294.35425	1.1
297.15073	3.0
299.12964	2.2
305.11884	6.3
311.12915	1.7
323.12936	37.7
324.13214	3.8
341.10751	18.4
341.14014	91.6
341.23318	4.6
342.11719	1.1
342.14487	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	339.1606
Annotation	Gancaonin Z
Peak:m/z	Relative Intensity
56.13553	0.2
59.01257	0.3
65.03841	4.3
67.01766	1.5
72.18256	0.2
91.05428	12.1
92.05737	0.5
93.03355	3.2
98.20668	0.4
107.04955	0.9
108.02071	4.7
109.02858	55.1
110.03213	1.7
111.00800	0.4
119.04948	0.7
121.02869	15.1
122.03155	0.3
123.04403	0.6
133.02885	3.7
134.03677	1.8
135.04443	83.0
136.04759	3.6
146.03723	0.4
147.04451	22.0
148.04884	1.1
159.04454	8.1
160.05238	1.8
161.02385	0.3
161.06007	0.9
163.07578	1.5
171.04472	0.5
172.05319	0.4
173.06052	1.1
175.07602	3.0
176.08406	0.8
177.09129	1.5
183.08316	0.3
185.06059	0.4
187.07593	2.1
188.08362	1.4
189.05498	0.3
189.09171	3.1
190.09831	0.9
191.10744	6.4
192.11020	0.3
196.40640	0.3
197.06026	0.3
199.07628	0.8
201.05655	0.4
201.09204	3.0
202.09972	3.1
202.54958	0.2
203.10481	0.3
207.08194	0.5
209.06114	0.5
210.06754	0.5
211.07689	0.9
212.04648	0.4
213.05524	0.6
213.09171	1.3
214.10011	0.9
215.10762	4.7
217.12328	11.5
218.12686	0.9
219.08186	0.3
221.06059	0.8
223.07631	0.6
225.09282	2.5
227.07120	1.9
237.09219	4.0
238.09581	0.3
238.13559	0.6
239.07169	3.0
239.10745	0.3
240.04361	0.5
241.08688	0.4
241.12338	0.7
242.06052	0.3
251.07164	1.1
252.07727	0.3
253.08806	0.8
254.05884	1.2
254.13147	0.8
255.06647	0.9
255.13857	0.4
256.11060	1.1
262.13663	0.6
263.07135	2.6
264.07474	0.3
265.12378	2.1
266.05933	0.4
267.10318	0.8
269.08286	2.5
269.15451	0.4
270.08588	0.3
271.17090	1.8
279.14011	0.6
280.14783	1.2
281.08279	9.7
281.11783	0.9
282.08624	1.1
282.12646	1.5
291.10336	0.6
295.09869	1.0
297.15088	1.3
305.11942	0.5
306.12741	2.9
307.13425	0.9
309.11404	5.4
310.11673	0.7
321.15109	2.4
323.13095	1.2
324.13696	3.6
325.14172	0.4
339.16055	100.0
340.16394	13.1
340.20660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81390	0.5
59.01268	7.0
65.03844	4.6
66.91901	0.5
67.01769	1.8
71.01270	1.0
71.32039	1.2
91.05432	8.7
93.03359	2.5
107.04912	0.9
108.02055	3.0
109.02862	67.8
110.03157	1.3
121.02862	11.0
123.04435	1.8
133.02863	2.8
135.04443	74.3
136.04817	2.9
147.04469	5.9
161.02348	1.1
172.05157	1.2
173.06009	6.8
184.05388	0.6
185.05867	0.6
187.07596	4.6
191.07127	2.6
199.07617	21.8
200.07954	1.3
211.03868	0.6
211.07613	1.1
217.08676	8.7
223.07693	0.7
225.09227	0.7
237.09193	2.1
239.07135	1.0
241.75800	0.6
251.10759	1.4
253.05173	1.0
253.12422	3.3
254.05821	3.2
261.09265	1.4
262.10059	0.8
267.06723	2.6
269.08255	7.8
270.05267	0.7
270.08542	1.4
271.09964	0.8
271.13138	0.7
277.12418	3.9
279.10278	4.4
281.08240	4.0
282.08859	0.6
293.11951	1.2
297.11890	0.9
303.10309	4.7
306.08792	0.7
321.11377	26.4
322.11694	3.5
330.05664	0.6
339.12430	100.0
340.12735	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	339.1604
Annotation	Taxamairin F
Peak:m/z	Relative Intensity
50.76594	0.3
57.41867	0.3
59.01263	4.3
61.98697	0.3
65.03857	2.5
66.47247	0.3
67.01776	1.4
69.79385	0.3
71.01260	0.4
73.02840	0.3
74.07713	0.3
77.90216	0.3
80.02544	0.3
82.66196	0.2
91.05427	6.9
92.05763	0.3
93.03362	2.3
95.04903	0.3
97.42870	0.2
98.19753	0.7
107.04926	1.0
108.02073	4.2
109.02862	45.7
110.03207	1.2
111.00805	0.6
119.04928	0.5
121.02872	12.8
122.03134	0.4
133.02890	2.9
134.03654	1.8
135.04449	55.7
136.04820	2.1
146.03731	0.5
147.04460	15.8
148.04808	0.6
149.02376	1.3
151.03961	0.8
159.04454	4.3
160.05176	1.4
161.02351	0.5
161.04501	0.4
161.05936	0.7
163.07600	1.1
168.26990	0.3
171.04526	0.4
172.05196	0.4
173.06039	0.6
175.07623	2.6
176.08270	0.7
177.09155	2.1
182.76910	0.3
183.01202	2.0
185.06041	0.5
187.07611	1.2
188.08366	1.2
189.09143	3.6
190.09943	0.4
191.10736	5.1
197.02829	0.4
197.06084	0.5
199.07674	1.1
201.09172	2.7
202.10043	1.7
205.12192	0.3
207.08057	0.4
209.06055	0.4
211.07596	0.8
213.05566	0.5
213.09167	0.9
214.09914	0.8
215.10767	4.4
217.08910	0.4
217.12338	7.6
218.12712	0.5
221.06210	0.5
223.07610	0.4
225.05638	0.4
225.09256	2.3
226.09508	0.3
227.07103	1.8
229.46153	0.3
237.09236	2.7
238.13698	0.6
239.07149	2.3
241.08606	0.4
241.12309	0.8
242.05824	0.3
251.07126	1.0
253.08789	0.8
254.05898	0.6
254.13080	1.0
255.06621	0.9
256.11084	1.0
262.13666	0.5
263.07297	1.5
265.12360	1.2
266.05875	0.4
267.10205	0.6
269.05130	0.4
269.08215	2.7
269.15448	0.6
270.05298	0.4
271.17059	1.6
274.78119	0.4
279.10767	0.4
279.13998	0.7
280.14676	1.1
281.08292	7.9
281.11768	1.0
281.17767	0.6
282.08578	0.7
282.12613	1.3
295.09705	0.8
295.13232	0.4
297.14969	1.0
306.12686	2.7
307.13382	1.0
309.11432	4.3
313.02237	0.3
321.11340	0.8
321.15045	2.6
323.12961	1.1
324.10205	0.5
324.13715	3.4
339.12576	6.1
339.16080	100.0
340.13260	0.5
340.16403	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	339.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10549	0.9
57.03321	2.6
59.01260	12.2
61.98704	1.0
65.03848	1.4
67.01762	1.1
70.75751	2.6
71.01258	2.2
72.38550	1.3
73.02846	1.1
81.03336	1.9
83.04906	2.1
85.02867	1.3
91.01779	3.4
91.05426	3.3
93.03335	1.2
98.19917	1.2
99.04402	4.5
108.02065	4.6
109.02858	23.5
110.03175	1.1
119.04996	1.2
121.02860	14.7
122.03645	4.1
123.04385	5.3
133.02913	6.6
133.06500	1.3
134.03625	4.2
135.00797	1.9
135.04457	18.7
137.06004	3.5
145.02858	1.7
147.04448	15.1
148.05244	1.2
149.05997	3.0
153.01823	1.6
155.08636	2.3
157.06493	1.2
159.04454	6.1
160.05190	1.4
163.07521	1.3
171.10234	3.5
173.05963	2.8
175.07570	3.0
177.01842	1.8
181.10187	1.4
183.08133	1.0
189.05475	1.4
189.09203	2.8
191.07092	1.9
197.09639	1.4
199.07642	2.6
201.09158	1.7
203.07112	17.0
209.06004	2.5
210.06752	2.9
212.04659	1.7
217.08659	10.6
218.09026	1.5
223.07651	2.7
225.05598	3.0
225.09111	5.1
227.07054	2.3
229.08696	3.6
235.13310	2.7
239.07292	1.9
241.05028	1.6
241.08688	2.0
251.07120	3.5
253.05084	4.8
253.14435	4.6
254.05899	18.2
255.06419	2.1
267.06616	6.6
268.07510	5.7
269.08234	68.4
270.08569	6.1
276.83566	1.2
303.16061	1.5
311.13080	2.1
321.11322	6.9
321.17136	2.4
333.99463	1.3
339.09073	4.4
339.12415	100.0
340.12726	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	339.1239
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.37051	1.0
59.01260	15.1
65.03840	2.6
65.74525	1.0
67.01758	1.6
71.01250	1.9
71.52279	1.5
73.45670	1.4
85.19066	1.1
91.05428	5.4
93.03356	1.7
107.04904	1.5
108.02057	5.1
109.02860	19.8
113.02383	1.2
119.04924	2.7
121.02873	19.9
122.03161	1.3
123.04411	4.3
133.02875	6.9
133.60350	1.1
134.03668	12.5
135.04433	19.8
136.01588	2.1
137.02341	3.2
145.02882	2.1
147.04434	11.0
148.01613	6.5
149.02383	5.3
151.03928	4.3
157.06502	1.3
159.04391	3.3
161.02385	11.4
161.06012	1.3
162.03111	2.3
163.03923	3.9
163.07591	3.8
171.04514	1.2
171.10242	1.3
172.05229	2.0
173.05989	2.9
175.03937	1.8
175.07526	2.1
177.09143	8.2
183.01198	8.3
183.04428	1.5
185.06064	2.0
187.03952	1.2
187.07559	3.2
189.05493	1.2
189.09160	11.7
191.07138	5.8
192.07837	3.1
193.08635	1.6
197.02750	9.3
197.05956	1.6
198.06863	1.4
199.07640	3.8
201.05522	2.3
201.09164	1.2
203.07123	1.6
203.10750	1.8
205.08630	6.0
209.06026	1.4
211.04153	1.9
211.07526	2.1
213.05473	2.7
214.02850	1.4
214.06332	1.2
217.08687	8.3
218.08926	1.4
225.05537	4.9
226.06392	3.0
227.03568	1.1
229.08746	7.3
230.09021	1.4
240.04425	1.3
241.05043	10.0
242.05827	5.7
252.04404	1.3
253.05186	2.2
255.06491	1.5
266.05884	1.9
267.13901	5.9
269.11969	2.4
270.05377	9.1
277.12326	1.7
279.10593	1.5
283.09805	2.8
284.06894	3.9
292.62875	1.2
293.12015	4.6
295.13525	1.3
309.11566	6.5
311.12927	12.4
312.13303	1.7
321.11328	28.8
321.14883	2.3
322.11676	3.9
324.09952	1.4
339.12363	100.0
339.16403	38.3
339.21179	2.4
340.12711	12.5
340.16666	3.4
352.29788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44005	0.7
53.45335	0.8
59.01260	14.8
67.01765	0.8
69.03340	74.7
69.27777	6.2
69.28191	2.2
70.03655	1.2
71.01273	2.6
75.88890	0.9
79.01798	4.2
81.03358	3.1
85.02827	4.4
93.03360	1.2
95.01284	9.4
97.02847	48.0
98.03168	1.9
107.01283	9.1
107.04943	0.9
108.02076	14.6
109.02857	26.7
110.03226	1.0
113.02375	3.0
121.02842	7.1
123.00793	13.8
123.04462	1.0
125.02366	57.9
126.02661	1.2
133.02898	4.4
134.03647	1.4
134.06047	1.5
135.00854	2.0
135.04459	6.1
136.01590	3.6
137.02370	7.6
147.04428	2.4
149.02393	11.1
151.00302	17.0
151.03928	1.7
153.01874	100.0
154.02264	4.9
161.02376	2.0
163.04007	4.5
167.03415	2.7
175.03990	0.9
177.01889	8.5
179.03528	1.6
191.03461	1.3
194.05943	0.8
195.02959	2.1
203.07079	1.1
279.05161	19.6
280.05734	1.2
283.06158	0.9
297.06207	40.0
298.06607	2.7
309.07764	1.0
339.07416	36.8
339.12491	5.3
339.18170	3.0
340.07901	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	339.1242
Annotation	(+)-Galbacin
Peak:m/z	Relative Intensity
53.71078	0.6
57.03309	0.7
59.01266	7.4
69.10247	0.6
71.04888	0.8
71.43744	0.8
71.44083	1.0
84.24535	0.5
87.29526	0.6
91.05455	0.9
93.03357	0.6
101.02334	0.7
105.63482	0.6
108.02079	6.2
109.02877	9.9
113.02351	0.7
121.02872	13.7
122.03688	0.7
123.04434	1.5
133.02888	10.2
133.10147	2.0
134.03645	2.7
135.04463	6.2
147.04509	0.7
154.02618	1.0
159.04469	1.6
161.02386	94.5
162.02748	4.6
177.09167	100.0
178.09483	5.8
191.07123	0.8
197.02762	3.6
217.08629	1.6
229.08672	3.3
279.10886	1.0
289.61755	0.6
321.11334	0.7
321.20651	1.0
339.12500	46.1
339.16510	9.0
339.21671	1.8
340.12814	5.5
340.16589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22771	0.5
52.79335	0.6
56.25192	0.5
58.57341	0.6
59.01257	2.0
65.03841	5.3
67.01785	1.2
70.02130	2.2
80.24596	0.5
90.75315	0.5
91.05428	14.5
93.03358	8.0
93.66711	0.6
95.01273	1.6
95.04916	1.4
100.53526	0.6
107.04925	1.0
108.02083	2.4
109.02860	57.3
110.03195	2.9
119.34778	0.6
121.02869	18.6
122.03197	1.2
129.06946	0.8
135.04446	100.0
136.04788	6.2
137.04984	0.7
147.04459	5.5
148.04858	0.7
156.10745	0.5
159.04460	2.5
161.05984	1.4
169.06561	0.6
171.04536	0.9
172.05229	1.1
173.06033	4.0
174.06787	2.6
175.07643	0.7
180.15952	0.5
181.06566	0.6
183.04588	0.5
185.05997	5.0
186.06769	0.9
187.07639	3.4
188.08310	2.4
189.09209	6.8
197.05986	1.8
199.07616	9.4
200.08414	7.1
201.08743	0.6
209.06282	0.7
211.07484	0.8
212.08379	0.8
213.09242	3.8
215.10754	22.0
216.11116	1.6
225.05635	1.3
237.09268	0.7
247.07681	1.4
252.11433	0.7
263.10779	2.5
265.08725	0.9
267.06662	0.9
269.15460	0.7
277.12433	1.3
278.13049	0.8
279.06812	0.9
279.10358	1.6
280.11020	1.1
289.08688	0.6
293.08710	0.8
293.11777	3.5
295.13632	0.6
303.10413	1.1
304.11197	1.2
305.11688	0.9
307.09848	6.6
319.13373	1.8
321.11423	1.9
322.12112	3.5
337.14496	92.0
338.14880	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	337.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56126	0.4
59.01268	4.5
63.02278	1.4
65.00195	1.0
70.59916	1.0
70.60246	0.6
91.01801	0.6
107.01308	1.3
114.33266	0.5
126.72762	0.5
127.24581	0.5
137.08879	0.5
137.96227	0.5
145.02896	2.0
147.04405	0.6
159.04436	0.6
171.04488	0.5
193.06557	0.6
194.93178	0.4
195.04456	0.5
197.05711	0.4
201.09186	0.9
208.05359	0.9
209.06027	1.2
211.03987	0.7
223.03989	0.5
225.05544	0.8
227.10803	1.0
237.05458	0.7
253.05035	1.1
254.05789	0.5
267.02988	0.8
268.03796	0.8
269.12109	0.5
277.09280	0.9
281.04620	19.5
282.05267	2.6
286.84402	0.5
293.04611	6.9
294.05350	1.5
307.06372	0.7
335.09146	0.6
337.10876	100.0
338.11234	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	337.1453
Annotation	Gancaonin Y
Peak:m/z	Relative Intensity
56.42798	0.4
57.87924	0.5
58.33318	0.4
59.01263	2.7
59.95044	0.5
65.03853	4.7
67.01775	1.3
71.51582	0.9
75.73327	0.4
75.79121	0.5
80.02559	0.6
85.07863	0.4
91.05433	13.8
93.03355	3.5
94.48910	0.4
95.01287	1.1
107.04902	0.5
108.02048	2.4
109.02863	53.1
110.03218	1.1
119.04941	1.1
121.02873	17.6
129.04352	0.4
133.02869	1.0
135.04449	100.0
136.04761	4.1
143.05045	0.6
145.02861	1.0
147.04489	4.8
157.06555	0.5
159.04453	1.4
160.05258	1.2
161.04575	0.4
161.05994	1.6
171.04414	0.9
172.05222	0.9
173.06018	3.9
174.06796	2.9
175.07458	0.6
183.04337	0.5
185.06035	3.3
186.06799	0.6
187.07654	2.6
188.08389	2.9
189.09180	6.2
197.06062	1.7
199.07648	8.1
200.08403	8.4
211.07596	0.6
213.09201	3.7
215.10773	22.4
216.11086	1.8
225.05504	0.6
237.09195	0.8
239.10802	0.5
252.11493	0.5
261.09140	0.6
263.10754	1.8
267.06815	0.9
269.15506	0.7
277.09259	0.7
277.12427	1.3
278.13116	1.0
279.07007	0.8
279.10349	1.5
280.11090	1.0
289.08676	0.8
295.13733	0.5
303.10294	1.0
304.11078	1.9
305.11752	1.5
307.09778	5.0
319.13425	2.0
321.11362	1.9
322.12125	3.3
337.14523	89.4
338.14874	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	337.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52562	0.1
57.19611	0.1
59.01268	1.4
66.99895	0.1
68.70014	0.1
70.16518	0.5
70.16935	0.2
81.41963	0.1
109.06532	0.2
112.38072	0.1
117.32896	0.1
121.02888	0.2
132.02110	0.5
133.02879	1.1
135.04460	0.3
159.04463	0.3
161.02426	0.2
163.00333	0.1
181.06564	0.3
183.04437	0.1
187.03998	0.2
189.01912	0.3
198.06630	0.1
200.04843	0.2
209.06044	0.5
210.06870	0.2
213.47351	0.1
224.04921	0.2
225.05652	0.7
226.06270	0.5
226.88655	0.1
227.03648	0.1
237.05624	1.3
238.06342	1.3
239.03427	0.2
240.04350	0.3
249.05620	0.3
249.12958	0.2
253.05095	5.9
254.05844	3.3
255.06233	0.2
264.04260	0.1
264.93259	0.1
265.05179	0.7
268.03436	0.2
269.04633	0.2
277.09045	0.2
281.01437	0.3
281.04617	8.5
282.05374	9.4
283.05713	0.6
286.04849	1.1
293.04633	10.0
294.05118	0.8
295.06183	0.2
305.08322	0.3
307.06213	0.5
309.11478	0.1
314.04385	10.8
315.04663	0.9
321.07709	1.1
322.08459	0.7
335.09491	0.1
337.10883	100.0
338.11227	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	337.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.3
71.01289	0.5
71.59867	0.4
91.01800	0.4
101.02335	0.4
108.02087	0.4
109.02853	1.5
109.03530	0.4
109.06510	0.7
119.62621	0.4
121.02863	1.5
133.02898	2.5
136.01608	1.2
142.37173	0.4
145.02925	0.5
148.01598	0.9
149.02406	2.2
157.06581	0.5
159.04488	0.4
159.08096	0.9
161.02379	1.2
170.05070	0.4
175.07660	0.5
181.06561	0.6
181.14456	0.4
183.04449	0.4
195.04434	0.5
199.04097	0.6
203.07167	1.1
209.06088	0.9
210.06902	0.6
221.08134	0.5
224.04749	0.8
225.05600	1.7
226.06221	0.5
227.03612	0.5
237.05540	1.2
238.06378	1.8
239.03563	0.6
240.04231	0.8
249.12981	1.0
251.10957	0.8
253.05093	2.5
254.05882	3.9
259.07950	0.5
265.12576	0.6
267.02969	0.4
268.03720	0.5
270.05353	0.5
275.10760	0.8
277.08881	0.9
278.09586	0.5
281.01904	0.3
281.04630	8.7
282.05383	10.8
283.05823	0.8
293.04654	1.6
293.11865	6.5
294.12274	0.7
307.09647	0.5
309.11435	2.2
314.04373	5.6
318.68628	0.4
322.08572	1.0
337.10892	100.0
338.11267	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	337.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.1
65.03848	1.4
71.52032	0.6
72.28013	0.5
90.25979	0.4
91.05427	3.6
93.03358	1.6
95.01282	0.5
103.09850	0.5
105.52185	0.5
105.73341	0.4
108.02084	1.0
109.02862	18.7
110.03223	0.5
110.35414	0.5
121.02871	5.3
128.42804	0.4
133.02882	1.0
135.04449	33.1
136.04749	1.3
147.04433	1.8
147.78291	0.4
159.04407	0.8
161.02342	0.7
173.06007	1.6
174.06886	0.8
175.07593	1.6
185.06102	1.1
187.07642	1.4
188.08347	0.8
189.01825	0.8
189.09215	2.6
197.06021	0.7
198.06842	1.6
199.07631	3.1
200.08339	2.5
201.05612	0.7
205.63687	0.5
209.06197	0.6
213.09209	1.5
215.10805	6.5
216.11101	0.8
225.05551	2.4
226.06316	1.9
237.05557	1.2
238.06332	0.6
253.05074	4.1
254.05702	1.4
263.10907	1.0
265.04993	0.6
269.04810	0.5
277.09286	0.8
280.11148	0.5
281.04608	3.7
282.05396	12.5
283.05576	0.9
289.08624	0.6
293.08347	0.5
303.10370	0.5
304.10928	0.8
307.09708	1.5
314.04395	17.5
315.04547	1.4
319.13397	0.5
321.07568	0.9
321.11148	0.6
322.08310	0.6
322.11963	0.6
337.07941	4.2
337.10822	100.0
337.14551	30.3
337.75363	0.5
338.07254	0.8
338.11206	10.6
338.14886	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	337.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69031	0.4
57.03325	1.4
59.01265	4.9
62.64730	0.6
68.99702	3.2
69.03326	1.3
71.01273	3.9
71.53062	0.6
72.99204	0.7
73.02830	1.7
75.00755	1.5
78.95785	1.0
80.86445	0.4
83.01275	1.9
85.02360	0.5
85.02845	6.3
86.08877	0.5
87.00763	3.9
89.02332	0.9
95.01270	1.7
97.02856	0.5
99.00790	6.8
99.04391	0.5
101.02348	2.7
109.93996	0.4
111.00778	2.0
111.01956	0.8
112.50400	0.4
113.02356	7.8
113.99500	24.4
115.00294	9.2
117.63136	0.5
127.00294	2.7
129.01863	2.8
132.04875	0.5
139.00327	1.0
141.01904	0.6
144.06593	1.6
157.01352	4.7
169.01363	1.6
174.01646	19.4
175.02403	2.8
277.05692	20.6
278.06174	0.9
282.21033	0.5
315.87329	0.5
337.07837	100.0
338.08206	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	337.0786
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
52.15909	0.2
55.01759	0.4
57.03318	0.9
59.01266	4.0
61.00908	0.5
68.99703	2.3
69.03336	0.9
70.73626	0.4
71.00896	0.3
71.01273	4.6
71.34537	0.2
72.99193	0.9
73.02834	1.2
74.22704	0.3
75.00770	1.8
78.95796	1.3
81.03337	0.3
83.01279	1.8
85.02347	0.4
85.02847	6.4
87.00769	2.5
89.02341	2.2
95.01310	1.1
96.96863	1.6
96.99217	0.4
97.02844	0.4
99.00786	5.5
101.02353	2.8
105.01775	0.2
110.98423	0.5
111.00790	2.5
111.01917	1.1
112.03964	0.6
112.98727	0.5
113.02370	7.2
113.99505	16.3
114.05505	0.4
115.00294	7.2
116.00610	0.3
117.01801	0.3
119.03429	0.3
125.02378	0.6
127.00302	3.6
128.03450	0.7
129.01859	2.4
131.03441	0.5
139.00291	1.0
141.01877	1.0
144.06602	1.9
145.03069	0.8
155.03384	0.3
157.01378	6.6
158.04489	0.7
158.72777	0.2
161.04582	0.3
169.01341	1.0
174.01659	18.1
175.02422	2.2
179.05580	0.7
189.05727	0.9
190.04007	0.4
191.03586	0.5
215.07520	0.2
277.05710	17.1
278.06003	0.9
320.13483	0.2
326.54333	0.2
337.07822	100.0
337.47253	0.3
338.08093	7.9
347.74500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0727
Annotation	CHEMBL1801784
Peak:m/z	Relative Intensity
59.01264	2.7
64.58193	0.3
67.70547	0.3
71.01290	0.4
71.56281	0.6
93.03362	0.3
113.02345	0.3
116.25010	0.3
117.03387	6.6
119.88958	0.3
129.03407	0.6
131.01340	0.5
132.02101	0.8
133.02878	1.3
135.04424	0.3
145.02982	0.4
147.04427	0.4
154.04207	0.6
157.02872	4.0
172.01590	0.4
173.02371	0.7
175.00368	0.9
176.83275	0.3
198.03209	1.3
199.03989	1.1
200.01088	1.1
201.01900	8.6
202.02232	0.6
202.99934	0.3
203.16273	0.3
209.06020	0.5
216.04282	0.8
219.02901	0.5
221.06149	0.5
225.01788	0.5
226.02736	3.9
227.03427	1.0
229.01445	2.1
235.07660	0.8
237.05525	0.8
243.03030	0.4
244.03786	10.7
245.04089	0.5
246.06903	0.7
247.07732	0.5
248.04874	0.4
249.05588	0.7
254.05753	0.3
258.76169	0.3
261.05573	0.5
262.06360	0.5
263.04333	0.3
263.07132	2.5
264.04184	0.5
264.07574	0.3
265.05170	1.1
273.05838	0.5
274.06357	1.1
275.07141	1.5
277.05154	0.8
277.09302	0.6
279.06830	0.5
281.05313	0.4
281.08160	1.4
289.05148	0.7
290.05865	1.0
291.06720	1.8
293.04623	9.3
293.07843	0.3
294.04999	1.6
295.06125	1.0
302.86786	0.3
308.06891	0.5
309.07816	0.6
317.04697	0.4
318.05429	0.9
319.06177	29.5
320.06650	3.1
321.04251	0.4
322.04852	0.5
336.06586	1.8
337.07251	100.0
337.10565	4.5
338.07620	10.2
338.11121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2236
Annotation	Vitexifolin E
Peak:m/z	Relative Intensity
52.43591	0.7
59.01264	39.1
74.40720	0.7
98.20505	1.8
139.11226	2.5
149.29697	0.7
150.51222	0.9
153.12796	1.6
169.99574	0.9
175.33958	1.0
191.18008	2.4
247.20770	1.3
275.20218	28.7
276.20575	2.3
293.21301	100.0
294.21677	10.2
335.22446	1.8
335.25958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0727
Annotation	Antibiotic SS 228Y
Peak:m/z	Relative Intensity
59.01264	3.9
61.15493	0.3
61.98706	0.4
65.03831	1.5
67.01773	1.4
68.95009	0.3
71.01270	0.5
71.52211	0.5
89.03849	1.0
90.34215	0.3
91.01771	0.7
92.45190	0.4
93.03365	0.6
95.32361	0.4
97.13461	0.4
107.04922	0.3
109.02852	3.1
117.03371	0.6
119.04993	0.5
121.02769	0.4
131.04933	1.7
132.02087	0.7
133.02884	7.4
135.04443	0.9
157.02864	0.9
158.03641	0.5
159.04459	1.6
161.02379	0.6
172.08450	0.4
175.03992	1.2
180.05812	0.5
181.06554	0.5
183.04420	1.1
201.01862	0.7
206.07361	1.9
207.08121	2.6
209.06038	1.4
221.06105	0.7
223.07649	1.5
225.05423	0.5
225.87984	0.4
227.03488	0.9
237.05571	0.6
239.07074	0.8
249.05569	1.4
249.09201	0.7
250.06383	2.1
251.07103	3.2
253.04985	0.6
265.04996	0.4
266.05957	0.7
267.06650	1.0
277.09317	0.6
281.08398	0.4
293.04630	3.1
293.08286	1.3
294.05316	0.6
295.06174	36.1
296.06516	3.0
309.07712	1.5
309.11127	0.4
319.06229	2.4
337.07245	100.0
337.10587	4.7
338.07584	9.7
338.11111	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93215	0.6
58.42455	0.6
59.01257	1.1
70.85954	0.6
80.42236	0.6
87.75147	0.6
88.95609	0.6
93.03366	1.0
98.20598	1.4
107.04921	0.8
108.02080	1.4
117.03383	4.9
119.04962	1.2
123.04431	1.1
129.07024	0.9
131.04945	1.1
132.02165	0.9
133.02908	2.0
135.00844	4.7
159.04446	0.6
163.00346	2.1
173.06004	1.7
177.43681	0.7
183.04504	0.8
199.03981	1.7
201.01956	1.9
213.05563	3.4
214.06348	2.0
224.04698	1.0
225.05623	1.3
227.03464	8.0
228.03900	0.7
241.05095	9.7
242.05864	4.7
247.07660	0.9
252.04387	1.1
261.09250	0.8
265.52646	0.6
273.09250	1.0
275.07336	0.9
279.10263	1.8
280.03769	1.4
289.08405	0.8
291.06708	1.0
291.10202	1.3
292.03876	0.8
305.04501	1.8
306.05215	0.8
307.09784	1.4
317.08185	2.8
319.06232	2.1
320.06897	1.3
334.08475	1.3
335.09314	100.0
336.09659	11.8
342.13254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1296
Annotation	Erypoegin B
Peak:m/z	Relative Intensity
51.82845	0.5
65.03833	3.2
67.01793	0.8
70.67641	1.2
70.68006	1.0
91.05434	14.9
92.05780	0.6
93.03368	3.4
103.05397	0.9
108.02087	3.3
109.02862	30.4
110.03205	0.7
119.04945	0.8
120.76469	0.4
121.02890	6.4
123.98563	0.4
133.02919	0.8
135.04445	100.0
135.97852	0.5
136.04784	3.5
144.05707	0.7
147.04454	25.3
148.05070	0.8
172.05251	19.3
173.06055	3.8
185.06036	11.5
186.06764	1.8
187.07617	14.5
187.99640	0.5
188.07957	1.1
197.06044	4.2
198.06888	3.5
201.50471	0.6
206.68506	0.6
210.06816	0.8
211.07617	3.3
213.09167	8.2
214.09457	0.9
225.09207	1.0
235.07729	0.6
237.09335	0.9
250.10045	0.6
261.09247	1.5
263.07333	0.6
276.11627	1.0
277.08740	1.7
302.09415	1.2
305.08228	8.2
306.08524	0.6
319.09689	1.3
320.10583	3.1
335.12946	81.2
336.13281	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	335.0933
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
59.01262	1.8
65.00204	0.6
65.03860	0.2
66.10768	0.2
71.01256	0.4
71.23701	0.6
76.06178	0.2
79.05435	1.3
79.60506	0.2
83.01268	0.3
93.03338	0.5
95.04958	0.3
103.05417	0.7
105.07012	0.3
107.04921	2.2
117.03354	0.8
119.05042	0.2
123.04437	1.2
129.07027	1.9
131.04932	0.7
132.02107	1.6
133.02888	7.6
134.03252	0.3
135.04439	0.5
136.35260	0.3
155.04971	1.5
157.02902	0.9
157.06514	0.5
159.04488	2.8
173.06094	1.9
183.04503	1.0
199.03966	1.2
201.05557	0.4
221.09663	0.5
224.04826	0.4
227.03491	0.5
231.08156	1.0
233.72070	0.3
245.09659	0.7
246.10521	0.5
249.09019	0.4
261.09277	0.7
273.09268	0.6
275.07312	1.0
276.07907	0.3
288.08035	1.1
289.08734	0.7
290.09567	0.3
291.07025	0.4
291.10379	0.9
305.04825	0.4
305.08069	0.3
307.09799	0.4
317.08221	20.1
318.08621	1.7
319.06195	4.6
320.06842	0.8
333.07858	0.5
335.09305	100.0
336.09634	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	335.0931
Annotation	Daldinone C
Peak:m/z	Relative Intensity
58.82618	0.3
59.01248	1.1
61.27660	0.3
65.00228	0.4
70.05373	1.5
79.05417	1.4
93.03376	0.6
96.95971	0.4
103.05395	0.5
107.04927	2.6
112.66451	0.4
115.78803	0.3
117.03369	1.6
123.04444	1.3
129.07025	1.7
131.04944	1.2
132.02092	1.2
133.01875	0.5
133.02882	9.0
135.04411	0.6
155.04994	1.7
157.02908	1.0
157.06487	0.4
158.03642	0.5
159.04477	2.6
161.02385	0.5
173.06105	2.1
182.03661	0.4
183.04405	0.8
199.04025	1.0
231.08165	1.0
235.95229	0.4
245.09608	0.8
246.80569	0.4
249.09325	0.6
260.08502	0.4
261.09225	0.7
265.04962	0.4
273.09351	0.4
275.07330	0.7
285.62137	0.4
287.07224	0.5
288.07819	0.7
289.08804	0.8
290.09503	0.7
291.06924	0.5
291.10352	0.7
305.04575	0.5
307.09723	0.5
317.08261	22.4
318.08563	2.0
319.06177	5.3
320.06683	1.4
333.07889	0.8
335.09323	100.0
336.09644	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	335.0932
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
51.03175	0.5
59.01259	0.9
68.33312	0.5
71.51550	0.6
79.05408	0.7
93.03353	0.9
103.05403	0.5
114.05586	0.5
117.03367	2.5
119.04940	1.6
120.29200	0.4
132.02084	1.1
133.02859	2.2
135.00865	0.5
154.23259	0.6
155.04962	0.5
159.04478	1.1
169.06555	0.6
171.04453	0.6
173.06062	0.7
183.04492	0.8
198.03114	0.5
199.03947	1.3
201.01904	3.1
213.05550	2.6
214.06096	0.5
217.04996	0.6
225.05582	1.8
227.03491	7.4
241.05098	11.6
242.05826	7.3
252.04233	0.5
261.09119	0.6
273.09186	0.9
275.07150	0.9
277.05063	0.6
279.10355	1.1
280.03635	0.6
286.27646	0.6
289.08765	0.9
291.10422	1.7
292.03830	1.3
293.07935	0.6
305.04724	2.0
307.09897	1.3
317.08279	5.5
319.06165	2.6
320.07056	1.1
334.08508	0.9
335.09317	100.0
336.05856	1.0
336.09616	10.3
339.78558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.11
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49701	0.3
51.49950	0.2
57.03325	0.3
59.01252	0.7
61.98640	0.3
78.03383	0.7
78.95788	0.3
80.04940	0.6
92.04964	1.7
94.06527	4.3
95.04931	0.5
96.96856	0.3
104.04962	2.7
105.03378	2.4
106.06530	13.0
106.26248	0.3
107.03643	0.7
107.04938	0.3
107.82899	0.3
108.04455	1.7
119.09492	0.3
120.04465	5.5
120.35333	0.3
121.05283	1.6
122.02383	0.5
122.06035	14.0
123.03158	1.8
123.06381	0.4
124.07605	0.9
125.02396	0.6
131.03682	0.9
132.04478	7.8
133.04840	0.4
135.03186	0.7
136.03929	0.3
138.05540	21.9
139.05876	0.9
140.07063	0.3
148.03969	1.0
149.02405	0.4
150.05534	2.6
151.04047	0.3
152.99478	0.8
159.06834	0.4
166.05026	0.8
168.06624	0.4
173.08403	0.6
174.12843	1.0
188.07166	0.4
189.07950	1.4
197.07063	0.4
200.10954	0.5
202.12442	0.5
203.09447	0.4
212.12698	0.3
213.06610	0.6
215.11893	1.3
217.07463	1.6
218.59428	0.3
226.07521	0.4
227.08226	0.4
229.09785	0.8
231.09213	0.5
231.11453	0.9
241.09914	2.9
243.11450	1.8
259.10904	0.4
271.10999	1.3
289.12003	100.0
290.12308	8.1
304.67172	0.4
333.06009	0.8
333.11035	9.0
333.26556	0.6
334.11163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.06
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54864	0.6
62.58315	0.6
70.76153	1.8
75.62164	0.6
78.95798	96.5
80.04947	0.6
81.81178	0.5
84.73844	0.5
84.96846	0.5
96.96865	20.4
103.00275	1.6
118.37832	0.6
133.86223	0.6
150.98027	1.5
152.99533	85.0
153.99870	1.2
171.00607	9.8
223.00116	1.1
241.01216	42.1
242.01575	1.4
259.02246	3.3
283.39603	0.6
301.05661	0.8
333.05994	100.0
334.06320	4.3
356.12280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0777
Annotation	Sophoracoumestan A
Peak:m/z	Relative Intensity
59.01257	0.5
60.64120	0.2
64.78060	0.2
69.78860	1.4
98.19823	0.3
105.03371	0.6
117.02559	0.4
117.03387	6.7
132.02130	0.4
133.02879	1.1
143.04956	1.0
147.04404	0.3
152.03439	0.2
159.04404	0.3
171.04483	5.7
172.04834	0.3
197.02426	0.3
212.04779	2.5
213.05573	1.8
215.03506	5.8
216.03789	0.4
225.02071	0.3
231.08354	0.3
234.06868	0.3
240.04309	14.9
241.04703	1.1
246.07021	0.4
249.09320	0.3
259.07797	0.6
260.08362	0.3
261.05637	0.4
261.09167	0.4
262.06418	0.4
274.06573	0.3
275.07196	0.6
276.07913	0.3
277.08774	2.8
278.09113	0.3
287.07135	0.5
288.08008	0.9
289.05765	0.3
289.08688	1.5
290.06006	0.5
291.06744	1.7
303.06674	0.7
304.07440	1.2
305.08365	1.5
308.75525	0.2
315.06873	0.3
316.07324	0.3
317.04398	0.4
332.06909	1.9
333.07751	100.0
334.08102	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	333.11
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16077	0.4
59.01254	2.0
60.18400	0.4
61.98720	0.7
64.65839	0.4
66.99942	0.4
69.11117	0.4
71.01266	0.9
71.53709	0.6
72.99214	0.5
76.68636	0.4
78.03384	1.0
80.04949	2.5
90.92296	0.5
92.04937	2.5
94.02917	0.5
94.06528	5.1
101.02340	1.1
102.35170	0.4
104.05022	2.7
105.03376	2.5
106.06535	11.7
106.07253	0.6
107.03686	0.5
108.04457	2.1
111.90987	0.5
120.04477	5.2
121.05254	1.1
122.02362	0.8
122.06037	15.2
123.03183	1.5
123.06342	0.6
124.03958	1.3
124.07567	0.5
128.55818	0.4
131.03674	0.7
132.04480	7.9
136.03947	1.1
138.05544	20.5
139.03954	1.0
139.05791	1.0
140.07080	0.5
148.03932	0.8
150.01930	0.5
150.05553	2.6
152.07109	1.3
164.03505	0.5
166.05045	0.8
174.12784	0.9
184.11253	0.7
188.07188	0.8
189.07974	1.1
200.10944	0.6
202.12425	0.6
203.04620	0.4
213.06641	0.9
215.11908	1.4
217.07394	1.6
226.07382	0.7
229.09937	0.6
231.09099	0.9
231.11310	0.6
241.09819	2.6
243.11365	2.3
245.13031	0.5
271.10791	1.1
289.12021	100.0
290.12396	8.7
333.10880	10.9
333.14703	0.5
333.19504	1.0
334.11276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84125	0.5
55.01752	0.4
57.03327	1.7
59.01264	1.1
64.99240	0.4
65.03845	2.4
67.01788	1.0
69.23131	4.6
71.04907	4.9
73.06487	0.9
81.03342	0.6
81.82253	0.5
83.01278	18.1
83.04914	3.1
85.02850	8.4
86.86376	0.4
95.04934	1.1
97.02838	0.7
98.19724	1.0
99.04437	0.8
101.05984	30.9
102.06332	0.5
107.04936	14.5
109.02874	2.8
123.04463	0.8
125.02398	1.2
125.05981	1.2
127.03934	12.0
128.04305	0.7
133.02893	4.6
135.04494	0.8
139.03937	0.8
141.54015	0.5
149.02370	0.5
149.06030	1.3
151.03951	47.6
152.04294	1.3
158.57184	0.4
159.04353	0.9
161.02391	54.2
162.02666	2.2
167.03400	0.6
169.05017	100.0
170.05342	3.8
175.03998	0.4
177.05553	4.1
191.03481	1.0
203.03558	0.7
205.04918	0.5
221.04555	1.3
313.06277	0.7
331.08289	84.8
332.08646	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	333.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93946	0.2
53.05758	0.2
54.77045	0.2
58.29631	0.3
60.75842	0.2
62.96278	0.2
70.99689	0.4
71.00051	0.3
78.95792	87.8
96.96860	17.7
120.55607	0.2
150.97972	0.7
152.99521	100.0
153.99849	0.9
170.34322	0.2
171.00597	11.5
189.23380	0.2
195.67682	0.2
198.63057	0.2
223.00133	1.4
232.22241	0.2
241.01202	54.3
242.01529	1.8
259.02310	3.6
315.73407	0.2
333.05984	40.8
334.06369	2.2
341.86154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90189	0.6
57.03337	2.0
59.01265	1.6
65.03850	3.4
67.01772	1.2
68.06829	0.5
69.27747	4.8
69.28149	0.7
71.04912	5.8
81.03346	0.6
83.01277	21.5
83.04904	4.0
85.02843	9.2
95.04927	1.5
96.10822	0.5
97.02863	1.1
97.84138	0.5
98.19842	1.2
99.04375	1.1
101.05984	38.1
102.06374	0.7
107.04933	17.2
107.05634	1.0
108.05240	0.6
109.02866	3.7
117.70347	0.5
121.02863	0.7
123.04379	0.8
125.02358	2.4
125.05995	2.3
127.03938	11.6
128.04121	0.5
133.02878	6.3
135.04442	1.2
139.03928	1.9
149.02437	0.8
149.06035	1.9
151.03947	53.6
152.04298	2.0
159.04419	1.0
161.02390	60.1
162.02776	2.6
169.05016	100.0
170.05344	4.4
177.05536	4.5
178.05905	0.5
191.03554	0.8
203.03474	0.6
205.05089	1.2
221.04529	0.9
241.17586	0.5
331.08276	93.5
332.08661	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	331.0468
Annotation	Wedelic acid
Peak:m/z	Relative Intensity
57.03335	3.2
59.01252	4.8
63.02281	11.7
64.99894	2.2
65.00206	22.8
66.00546	1.4
69.30222	3.1
69.30627	8.4
71.01301	1.3
73.54853	1.1
81.03325	1.5
83.01273	15.9
95.01297	1.4
95.58575	1.1
96.48084	1.0
107.01289	29.7
108.02074	4.4
109.02861	1.7
109.99963	1.8
111.00780	3.5
117.03396	1.3
121.02859	1.6
122.20087	1.2
124.01589	1.6
125.02364	22.2
126.02666	3.0
133.02831	2.2
135.00824	2.7
135.04425	4.2
136.01591	2.4
137.02403	2.1
139.00337	8.2
141.03398	1.4
143.05022	1.8
145.02895	2.2
147.00829	2.5
148.01520	2.1
149.02409	1.7
149.31593	1.3
150.03185	2.1
151.00308	100.0
152.00647	4.3
153.01884	6.1
155.04959	2.8
157.02919	2.4
159.04427	3.0
161.02391	6.1
162.02650	1.3
163.00278	2.4
164.01076	1.6
165.01955	1.7
167.03404	1.9
169.01370	4.8
169.02751	1.6
171.04538	1.5
173.02295	1.9
177.01891	4.4
179.03487	17.3
181.02788	2.2
183.04466	5.2
185.02429	3.2
187.03915	2.4
189.01903	4.1
192.00598	15.4
193.01218	3.0
197.02422	4.4
198.03238	1.5
199.03961	4.1
201.01892	4.8
201.05544	2.0
202.02574	1.3
203.03468	10.7
205.01379	2.3
211.03972	5.1
213.01938	2.6
213.05547	1.4
215.03484	2.3
225.01880	5.4
225.05565	2.5
226.02673	2.0
227.03467	17.9
228.04016	1.5
229.01382	7.7
231.03040	14.6
243.03134	6.1
243.06520	1.2
244.03348	1.6
245.04575	2.0
253.01431	5.4
254.02151	1.6
255.03032	16.7
256.03418	2.0
257.00943	2.9
257.04572	1.3
259.02502	1.5
269.04654	7.8
270.01666	2.2
271.02499	24.7
272.03018	3.5
275.01941	2.5
281.00992	13.0
287.05685	16.7
299.02029	44.6
299.05252	1.6
300.02390	3.4
308.67291	1.2
313.03586	15.8
313.06958	2.4
314.04166	1.5
316.02359	5.7
331.04645	86.6
331.08142	7.0
331.11877	2.6
331.24783	1.9
332.05066	9.3
339.93555	1.4
351.36566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.234
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03324	1.0
57.45512	0.3
59.01262	6.4
61.98716	0.5
67.13453	0.4
69.03329	0.6
70.71397	0.8
71.01265	0.7
80.58066	0.4
83.01238	0.5
83.04913	0.9
85.02828	0.5
92.64896	0.4
97.06455	0.5
99.08049	6.0
111.08033	0.4
114.24604	0.4
119.96064	0.4
121.02887	0.9
125.09627	1.2
127.11216	2.9
149.02440	0.6
155.14371	1.4
165.12750	0.5
167.03389	0.6
167.14328	1.3
171.10202	2.6
181.12286	0.5
183.13863	6.2
193.12360	2.0
199.03976	0.4
199.13354	1.0
209.11821	1.4
209.65305	0.4
211.13382	35.6
212.13731	2.0
219.71014	0.4
225.06628	0.4
229.14461	20.8
230.14758	1.2
254.05322	0.5
256.03882	0.6
267.03003	0.4
283.05307	0.7
293.21042	0.8
299.02408	0.6
299.05423	2.5
301.06110	0.5
311.05652	3.3
311.22360	1.1
314.04327	1.1
329.06610	9.4
329.23383	100.0
330.07004	0.8
330.23706	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	329.234
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
58.00480	1.1
59.01265	7.8
64.77782	0.3
68.45870	0.3
69.03334	0.4
70.49860	1.1
71.01266	0.6
71.06258	0.4
72.99175	0.4
86.35838	0.4
99.08060	6.8
113.09623	0.4
121.02867	0.6
123.04401	0.3
127.07582	1.5
127.11220	0.3
129.09142	7.5
130.09520	0.4
149.13293	0.3
151.11266	0.5
153.12825	0.3
167.03516	0.4
167.10776	0.6
169.12289	4.2
171.10194	0.8
172.10558	0.4
181.10823	0.4
181.12311	6.2
183.13895	1.7
193.12289	1.6
197.11804	2.8
199.13379	18.8
200.13797	0.8
202.38567	0.4
210.12189	0.4
211.13387	13.7
212.13710	1.0
227.12921	0.6
229.14429	2.2
269.10416	0.5
275.20276	0.6
293.21292	4.2
299.01904	0.8
299.05304	0.4
311.22217	2.4
314.04443	0.9
329.06580	1.2
329.23389	100.0
330.23749	9.0
330.27762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.234
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
54.23343	0.4
55.76591	0.5
57.03317	0.9
59.01248	0.8
66.99732	0.5
69.03329	0.6
69.20671	0.4
71.00709	1.3
75.38490	0.5
97.06504	0.7
99.08057	5.9
100.15994	0.5
102.47591	0.4
125.09628	1.3
127.11227	2.7
139.11200	2.5
143.69415	0.5
149.02289	0.9
155.10692	0.6
155.14413	0.6
167.14403	1.0
167.52193	0.5
171.10223	8.3
183.13855	6.3
193.12306	1.6
209.11845	1.1
211.13383	35.0
212.13676	1.9
229.14464	17.5
230.14894	0.6
243.03140	0.9
251.07474	0.5
252.98276	0.5
253.01289	0.5
271.02551	0.8
278.68719	0.5
281.00864	1.2
293.21280	1.4
299.01999	2.0
311.22366	0.5
314.04306	3.8
329.06693	3.6
329.23389	100.0
330.23740	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	329.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84366	0.2
57.03335	0.5
58.00478	1.1
59.01262	5.3
70.19060	0.2
72.99191	0.3
73.02831	0.3
76.65035	0.2
78.88992	0.2
83.04887	0.3
97.06488	0.5
99.08057	7.7
111.08067	0.4
113.09641	0.6
120.22295	0.2
127.07543	1.5
129.09134	7.4
139.11240	0.3
151.11185	0.4
153.12782	0.5
155.14369	0.5
167.10681	0.4
167.14412	0.4
169.12291	4.6
171.10184	0.4
181.12291	5.1
183.13853	1.9
193.12329	2.2
197.11783	2.5
199.13379	18.5
200.13745	1.1
202.59067	0.3
211.13403	13.9
212.13832	0.7
213.54970	0.2
227.12962	0.8
229.14421	2.0
275.20221	1.1
293.21301	3.8
311.22458	2.2
312.23035	0.2
323.38797	0.3
329.23383	100.0
330.23740	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	329.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	7.8
65.00204	0.7
65.03833	0.6
67.01751	0.6
69.43388	4.0
71.01240	0.5
73.06275	0.4
79.01768	1.3
85.02839	1.5
85.64978	0.4
87.94698	0.4
91.01783	1.4
95.01286	0.8
97.02851	1.8
99.04549	0.4
104.82702	0.5
109.02862	7.8
121.02867	1.9
123.00797	2.4
123.04461	0.5
125.02319	0.8
127.03928	1.1
133.02879	6.9
134.11433	0.5
135.04454	1.3
136.01563	0.4
143.14331	0.4
145.02901	0.6
148.01591	0.6
149.02380	6.6
149.99472	0.7
151.00380	0.5
151.03918	1.3
157.02911	0.6
165.01845	1.6
171.04425	1.0
173.02737	0.5
175.03935	4.6
176.04454	0.5
177.01906	5.7
183.04529	0.5
187.04004	0.6
190.02684	0.5
195.03015	1.0
197.02664	0.8
197.05978	0.6
198.03275	0.8
199.03943	4.9
199.07727	0.8
201.01962	4.9
209.06088	0.6
211.04033	0.8
211.07710	0.6
213.05528	1.1
215.03517	1.7
217.05011	1.1
225.01897	0.5
225.06686	0.7
225.14906	0.5
227.03624	2.2
227.07130	1.7
231.06694	1.5
237.05647	0.6
239.07164	0.9
240.04268	1.2
243.03015	5.5
243.06645	1.7
249.05641	0.6
253.01424	1.0
255.02968	1.0
255.06715	2.7
261.07684	0.5
267.06705	1.4
269.05701	0.5
271.02560	5.0
281.01010	5.2
282.01443	0.9
283.06174	1.0
285.04236	1.2
285.07779	1.4
287.18893	0.4
299.02039	17.9
299.05685	3.7
300.02383	1.5
300.05692	0.6
311.02280	0.6
311.05688	11.8
312.06052	1.0
314.04395	30.4
315.04788	2.0
327.05078	0.7
329.06738	100.0
329.14554	2.6
329.19629	1.3
330.07117	8.5
352.96210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2547
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01262	8.0
81.87731	1.8
83.04926	4.6
84.76237	1.7
89.02323	3.4
91.03882	3.4
93.86947	1.7
181.26688	1.8
201.02007	1.7
235.20692	21.3
236.21062	3.2
253.21759	100.0
254.22069	8.6
267.11011	2.3
327.12848	2.1
327.18243	3.7
327.21890	7.9
327.25372	2.2
327.29193	5.4
328.15607	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	329.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55613	0.5
57.75312	0.5
59.01267	4.8
65.00246	0.9
67.63672	0.5
71.01125	0.9
74.66470	0.5
75.88859	0.5
81.03402	1.8
95.01326	0.5
95.05001	1.5
97.02942	1.0
99.04491	1.8
109.02930	0.7
117.09010	0.5
119.01369	1.1
120.47457	0.5
121.02965	0.6
123.04475	1.0
125.02428	1.3
133.02866	1.2
135.00783	3.5
139.03981	0.8
148.01584	3.4
151.00385	1.8
161.02397	5.3
163.00314	52.0
164.00723	2.3
165.99190	0.5
167.03453	8.4
169.02989	0.6
175.03979	1.3
184.05334	1.6
187.00240	0.6
196.05148	0.6
197.02327	0.5
201.01888	3.6
205.01477	0.8
211.04045	1.7
212.04810	1.8
213.01952	0.8
223.04001	1.2
224.04799	1.6
225.02034	1.5
225.98557	0.5
226.10141	0.6
227.03514	1.3
229.01509	1.7
239.03528	4.9
240.04333	2.4
241.04877	0.6
242.02333	0.7
243.02773	0.6
251.03580	0.8
252.04204	1.2
253.01524	1.0
255.02859	0.8
267.03043	3.3
268.03824	4.8
269.00992	1.5
269.03693	0.6
271.02588	1.0
272.03259	0.7
284.03381	2.2
284.06964	8.3
285.04065	2.0
285.07394	1.4
295.02460	3.8
296.03317	98.5
297.00443	9.0
297.03696	9.6
298.00983	1.8
301.03714	0.7
311.05667	100.0
312.02859	0.8
312.06009	10.1
314.04321	4.1
314.08008	4.5
315.01227	0.5
328.22021	0.8
329.03159	8.0
329.06711	96.5
329.10080	4.0
330.03439	1.3
330.07028	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	327.2184
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.62386	0.2
54.46494	0.3
54.55708	0.2
57.03333	1.8
59.01267	1.6
59.32663	0.2
62.71529	0.3
69.03340	0.7
71.01276	1.2
71.04902	0.6
73.02855	0.4
78.73505	0.2
81.03345	0.4
83.04914	1.1
84.02075	0.3
85.02847	3.9
95.04932	0.9
97.02851	0.3
97.06498	4.7
98.19734	0.4
104.65340	0.2
108.02088	0.3
109.02786	0.3
110.03669	0.5
114.73299	0.2
119.08553	0.5
123.08096	0.6
125.09650	1.5
127.11205	1.8
137.09650	0.6
155.10736	0.9
155.14372	0.5
163.11110	0.4
165.12779	1.0
166.69539	0.2
167.10698	0.6
167.14354	1.0
171.10233	7.9
172.10536	0.5
177.12753	0.9
178.13174	0.3
181.12277	0.3
183.13866	5.1
185.11827	1.3
192.45409	0.2
193.12280	1.7
195.13916	0.3
197.11842	0.6
199.13452	0.3
203.10791	0.6
209.11800	2.1
211.13388	23.6
212.13632	1.9
221.11823	3.6
229.14458	15.4
229.16769	0.6
230.14784	0.9
237.18689	0.3
239.12965	2.1
247.20642	0.5
265.18216	0.6
273.18692	0.6
274.59378	0.3
283.06082	0.7
283.19153	0.8
291.19748	3.3
292.20120	0.3
309.20807	1.2
312.06525	0.4
327.21835	100.0
328.22177	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	327.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94970	0.4
57.03335	4.8
58.00484	0.5
59.01253	1.8
65.14516	0.4
66.91936	0.3
70.36494	0.7
70.36880	0.6
82.81676	0.3
83.31148	0.3
85.02824	1.1
87.04405	6.5
97.06470	0.9
98.19859	0.5
99.44959	0.4
103.36108	0.4
109.06489	0.5
111.08105	1.8
121.02843	0.4
127.07521	0.4
135.44246	0.4
169.12282	1.7
171.10243	0.5
178.48822	0.4
179.14386	1.3
180.14563	0.4
181.12253	1.7
185.11778	0.4
195.13863	3.9
197.11801	10.5
198.12157	0.7
199.13344	1.7
211.13414	1.3
221.15494	3.9
223.13274	0.4
229.14555	0.4
239.16534	46.9
240.16873	3.2
247.20555	0.7
248.26456	0.4
251.16458	0.4
272.19345	0.4
291.19687	8.6
292.19971	0.6
309.20767	3.9
327.21811	100.0
328.22171	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	327.2183
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.52809	0.4
51.04062	0.4
51.07980	0.4
52.61842	0.4
53.85735	0.4
57.03328	1.2
58.00484	1.1
59.01046	0.4
59.01263	4.3
59.01884	0.5
64.66579	0.4
71.01270	1.9
71.52200	0.4
75.66703	0.4
85.02840	1.5
89.02334	0.9
97.06496	3.5
101.02325	0.9
112.80237	0.4
115.07582	0.6
121.02847	0.6
127.11162	0.8
137.09581	0.7
139.11249	0.8
153.12775	2.0
155.10722	0.6
155.14372	3.9
165.05516	0.7
167.14340	0.7
171.10239	2.4
183.13875	5.9
185.11801	0.8
187.69330	0.6
193.12314	0.7
197.11765	1.2
199.13380	5.8
201.11324	0.6
209.11897	0.4
211.13417	8.0
219.58769	0.5
227.12939	4.6
229.14471	100.0
230.14803	5.6
238.85136	0.5
267.10858	1.4
291.19742	3.5
309.20770	9.0
310.21039	1.3
327.05298	0.9
327.08871	1.1
327.12939	0.8
327.21835	23.1
328.22083	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	327.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38055	0.4
55.01759	0.7
57.03331	0.9
58.00473	1.6
59.01263	2.0
59.34882	0.3
60.00069	0.4
69.78477	0.4
70.53667	0.6
70.54050	0.9
71.01265	0.6
73.02837	1.5
76.06441	0.4
77.85503	0.4
83.04893	0.9
84.02054	1.1
85.02842	0.5
86.94982	0.4
95.86037	0.4
97.06492	2.9
109.06521	0.6
111.08049	2.5
113.09644	3.9
116.35445	0.4
121.10138	1.4
123.08083	4.4
125.09634	7.2
135.08069	1.8
137.09625	2.9
139.11169	0.7
141.09134	3.9
151.07625	1.0
153.09154	17.7
154.09563	0.7
155.10721	3.8
171.10231	9.9
185.11794	0.7
187.09679	1.4
201.11287	0.8
211.13354	0.6
217.08836	0.8
217.10818	9.7
218.11124	0.5
226.72098	0.4
229.14488	0.6
239.16562	0.5
309.20795	1.3
327.08798	1.8
327.21826	100.0
328.22165	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	327.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72538	0.2
56.02407	0.2
57.03336	3.6
58.00489	0.7
59.01262	2.3
67.00592	0.3
69.03339	1.0
69.19997	1.9
69.20419	0.7
71.01274	0.8
71.04917	0.3
73.02830	0.6
79.50070	0.3
83.04955	0.5
85.02871	1.2
85.06485	0.4
87.04404	6.1
97.06496	0.9
101.06000	0.3
109.06501	0.9
110.43102	0.3
111.04465	0.3
111.08055	3.4
119.08598	1.3
123.08085	0.3
125.09638	0.8
127.07522	0.5
127.11228	0.5
135.08102	0.4
137.09644	3.2
153.12837	0.4
167.14336	0.3
169.12325	2.3
171.10216	11.8
172.10580	0.2
177.12848	0.5
179.10767	0.4
179.14378	0.8
181.12263	1.5
183.13898	0.4
185.11880	1.1
193.12270	0.2
193.15991	0.4
195.13896	3.1
196.14240	0.4
197.02747	0.6
197.11806	16.0
198.12164	0.9
199.13388	2.1
201.11278	1.9
209.11816	0.6
211.13400	2.4
221.11861	0.8
221.15486	2.8
227.12883	0.3
229.14314	0.6
229.19870	0.3
239.16550	30.3
240.16934	2.2
247.20795	0.3
263.19998	0.2
273.18604	0.7
291.19720	7.0
292.20081	0.7
309.20782	4.3
310.20996	0.3
327.21823	100.0
328.22162	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	327.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25190	0.4
56.44725	0.4
57.03329	0.8
58.00477	8.1
59.01268	2.2
69.03341	1.0
70.81655	0.8
71.01263	0.8
73.02832	2.5
76.37718	0.4
81.08565	0.4
83.01277	0.6
83.04919	0.9
84.02042	0.7
85.06523	0.4
87.04402	0.4
97.02854	0.5
97.06528	0.5
101.05991	0.6
109.06496	2.2
109.39708	0.4
125.09679	0.4
127.07587	5.9
127.11192	0.4
128.08215	0.5
137.09625	0.9
149.02484	0.5
153.12793	8.2
171.10207	3.1
181.12323	0.6
183.01082	0.6
183.13855	1.8
185.11874	0.5
193.12294	0.8
197.02582	0.5
197.11839	0.5
199.13367	4.2
201.11256	1.4
211.13348	5.8
212.13817	0.5
229.14401	0.8
239.12654	0.5
244.01595	0.4
257.13919	2.7
291.19629	0.4
309.20734	3.0
327.21817	100.0
328.22156	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	327.2182
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03326	0.8
58.21159	0.3
59.01252	0.4
68.54368	0.2
69.03336	0.5
70.87632	0.8
71.01288	0.3
71.04884	0.3
81.03313	0.3
83.04919	0.6
85.02853	2.2
86.46347	0.3
95.04913	0.5
97.06500	2.8
101.22120	0.2
109.06455	0.3
121.59401	0.3
125.09617	0.7
127.11194	0.6
165.12848	0.6
167.10666	0.4
167.14304	0.5
171.10213	4.1
177.12839	0.7
182.21739	0.3
183.13881	3.1
185.11830	0.9
193.12321	1.1
197.11862	0.5
198.22646	0.3
203.10818	0.4
209.11832	1.3
211.13380	14.2
221.11859	2.2
229.14470	8.6
229.16190	0.2
229.16745	0.4
230.14755	0.6
232.62579	0.3
239.12900	1.2
275.28906	0.3
291.19742	2.1
309.20728	0.9
327.21829	100.0
328.22186	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	327.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98056	1.0
59.01265	100.0
61.98692	0.9
69.03339	1.6
69.59841	6.9
69.60244	1.9
71.01270	43.3
72.99197	2.5
73.02835	52.0
75.00776	1.6
83.01267	16.5
83.85988	1.0
85.02849	4.1
89.02337	7.9
97.02857	1.4
101.02347	44.4
102.02690	1.1
113.02357	12.5
119.03415	4.1
119.04933	1.2
125.02382	2.6
131.03445	3.3
132.77739	1.0
143.03442	3.1
149.04486	4.6
155.03442	1.6
161.04489	11.0
174.41420	1.2
175.75638	1.0
203.05658	1.2
208.52362	1.0
221.06491	1.5
267.10901	1.3
307.33035	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	327.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.8
57.12449	1.9
58.66701	2.0
59.01266	100.0
61.98691	2.1
66.68839	2.0
67.39790	2.2
71.01271	51.4
71.52920	3.6
72.99201	3.9
73.02833	9.2
75.00755	3.0
83.01277	2.7
85.02860	13.6
87.00787	4.8
89.02337	38.5
93.03353	7.5
95.01299	2.5
98.93832	2.2
99.00787	2.7
101.02343	36.4
103.08043	2.1
113.02361	14.6
119.03417	9.2
122.02400	3.8
126.02528	2.3
144.26216	2.2
161.04491	13.9
165.07637	10.5
179.05626	4.1
241.21820	2.6
267.10892	35.9
327.12930	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	325.218
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
50.25124	0.5
51.56907	0.6
52.99762	0.7
59.01265	3.8
69.47585	2.2
69.48017	2.7
79.95645	0.9
93.51348	0.8
101.02289	0.6
136.95277	0.7
146.70059	0.7
149.09657	87.4
150.09998	4.0
160.28041	0.6
160.60341	0.7
163.11234	100.0
164.11566	5.0
183.01175	10.2
197.02715	1.0
222.20685	0.7
325.18375	19.7
325.21796	98.0
326.18655	2.1
326.22122	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	327.0882
Annotation	7,2'-Dimethoxy-4',5'-methylenedioxyflavanone
Peak:m/z	Relative Intensity
57.03358	2.7
59.01268	9.8
61.55557	1.2
62.71827	1.4
66.06781	1.3
71.01262	4.3
85.02852	9.2
97.06500	3.0
101.02335	3.1
104.83646	1.6
108.02081	2.5
109.02860	3.5
113.02380	1.7
117.03329	1.9
119.04907	3.2
121.02880	12.1
125.09650	1.7
127.11176	2.0
133.02879	2.3
134.03662	1.7
135.04446	3.8
136.01617	2.2
137.02379	22.9
137.09621	2.8
147.04498	2.4
149.02393	10.9
151.03960	15.6
153.01936	1.6
155.10735	2.0
161.02415	7.9
161.04718	1.9
162.03204	10.5
163.03954	56.5
164.04475	1.8
169.59683	1.2
171.10217	14.2
175.03957	9.5
176.07124	3.2
177.05528	25.9
178.05798	1.5
179.03445	2.8
183.01227	1.8
183.13815	3.8
185.11803	1.5
193.12373	1.7
197.06075	1.4
197.11722	1.3
201.11368	3.8
209.11835	1.4
211.13387	13.6
221.11795	1.8
225.05693	1.5
229.14453	8.5
239.13013	1.8
240.07884	1.2
257.08231	2.2
267.10889	3.2
269.04410	3.3
280.38049	1.6
283.06238	1.8
284.06958	2.1
291.19681	3.4
299.09409	5.0
309.20578	2.5
310.91788	1.5
327.08823	100.0
327.16846	4.4
327.21811	98.5
328.09103	10.1
328.15677	3.5
328.22153	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	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.3
69.03343	0.7
70.43919	0.5
70.44286	2.3
71.01273	2.7
73.02859	0.7
78.25889	0.6
80.02570	1.9
81.03316	1.3
83.01286	0.6
83.04914	6.4
84.02062	2.7
95.04916	1.2
97.06509	0.9
99.08066	2.7
109.06473	1.2
115.07563	2.2
125.09633	2.3
127.07574	7.7
135.08054	0.7
139.07571	1.9
155.10733	1.8
163.11250	5.5
165.12801	3.9
171.10260	1.0
178.10013	1.8
181.12270	1.3
185.11810	10.6
191.10767	1.7
197.11812	11.6
207.10257	0.9
209.11821	100.0
210.12184	5.1
211.13287	1.2
227.12869	7.1
230.75391	0.7
238.12106	3.9
245.19084	0.9
256.13229	2.2
281.21332	0.7
289.18188	5.2
307.19220	61.8
308.19656	4.9
325.20264	24.7
326.20612	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	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33300	0.8
57.03339	6.3
58.00471	0.9
59.01265	6.8
69.03353	3.9
69.03651	0.8
70.11884	3.7
71.01267	3.2
71.04905	9.8
73.02825	1.6
80.02546	2.4
81.03337	0.9
83.04910	4.8
84.02034	1.5
85.02835	1.0
85.03310	0.7
85.05993	0.7
85.06486	3.4
87.04401	3.0
91.05406	1.1
95.04910	2.7
97.02861	7.0
97.06468	3.9
107.04955	1.5
109.06499	32.5
111.08062	2.1
115.07531	1.3
123.08038	0.8
125.05995	2.8
127.07550	2.8
137.09647	1.9
141.09103	1.5
142.13794	0.8
151.11217	2.0
153.09093	0.9
153.12848	1.6
155.10703	0.9
165.12766	1.5
169.12297	6.7
171.10255	1.1
177.12784	1.4
181.12296	5.4
183.13857	2.5
185.17386	0.9
187.09761	1.5
191.14417	1.3
193.12303	3.2
197.02649	1.1
197.11812	54.2
198.12109	3.0
199.13345	2.7
207.13809	0.9
209.11783	1.1
211.13385	29.8
212.13722	1.6
219.14024	1.3
221.11986	1.4
221.15393	1.4
227.12840	2.6
231.13852	0.9
235.13409	5.1
237.14999	5.2
239.12869	1.2
249.14996	3.3
261.18719	1.5
267.16046	1.4
289.18216	4.5
307.19315	4.9
325.20251	100.0
326.20596	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	325.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33381	0.3
57.03338	8.5
59.01250	1.0
61.39530	0.3
69.03346	7.9
71.01273	0.4
71.04910	3.8
71.53620	0.4
72.99176	0.9
73.02819	0.5
81.03343	1.0
83.04913	3.8
84.02059	0.3
85.02829	0.6
85.06470	3.2
87.04406	2.3
91.32507	0.3
95.01218	0.3
95.04911	1.2
97.02846	1.4
97.06493	1.5
97.44785	0.3
98.03619	0.3
99.61633	0.3
101.02354	0.3
105.18560	0.3
107.04909	0.4
107.08572	0.3
109.06503	2.8
111.04436	2.9
111.08041	0.7
112.37850	0.3
121.06502	0.5
123.08051	0.7
126.67112	0.3
127.07565	1.2
129.09093	0.3
133.10155	0.4
135.11722	0.4
137.09625	1.1
139.11224	1.0
147.11742	0.4
149.09659	0.4
151.11243	0.4
153.12680	0.3
165.12813	0.9
167.14380	0.4
171.10226	0.8
175.11250	0.8
177.12782	0.3
185.11865	0.4
187.14886	0.5
191.14400	0.4
193.12292	2.0
195.13924	0.7
197.11835	0.5
209.11807	1.1
209.15433	3.9
210.12546	0.3
211.13368	3.7
212.13812	0.3
221.15422	0.4
235.13524	0.4
237.14964	4.2
239.12912	6.0
252.40408	0.3
261.08664	0.3
261.18610	2.2
282.76355	0.3
289.18243	0.7
307.19214	3.5
323.18866	0.3
325.20258	100.0
326.20584	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	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49988	5.2
56.00095	5.3
57.03326	19.7
59.01263	100.0
67.01789	8.9
69.03342	13.6
69.63635	42.2
71.01257	17.6
80.02565	8.6
81.03348	12.5
83.01288	23.4
83.04913	22.3
91.79927	5.6
93.03349	7.1
95.04904	13.6
97.02855	16.8
97.06468	36.2
101.02367	6.2
106.50050	6.1
109.02886	13.2
109.06495	8.3
111.08061	6.0
121.02837	7.6
121.06501	6.1
123.04433	28.6
123.08083	20.7
125.09632	60.0
133.03009	6.1
135.04420	20.7
135.08029	9.5
137.06064	7.2
137.09645	26.2
141.12788	8.3
142.02563	8.6
149.06068	8.0
163.11255	34.1
165.12830	13.7
167.10744	37.2
171.10173	6.2
177.12756	5.6
181.12280	11.8
185.11832	29.8
189.09190	8.1
191.10739	10.0
191.14436	11.1
203.10786	17.0
207.10338	27.4
209.11852	65.1
211.13260	9.6
225.11334	16.8
245.19112	15.8
251.13037	5.2
265.12988	7.5
289.18192	17.5
290.17960	6.2
307.19278	7.9
325.06906	7.0
325.14423	33.8
325.20218	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	325.2026
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01262	10.1
65.64260	0.5
69.28288	4.5
69.28693	1.3
70.47806	0.6
71.01260	0.7
71.04882	0.8
82.39756	0.6
97.06464	1.1
97.52612	0.6
101.02310	0.7
112.38503	0.6
119.04878	0.7
121.02853	4.6
122.03660	5.0
123.04405	0.8
135.04381	2.2
136.05182	2.0
164.08405	1.0
165.12787	1.3
167.14349	5.7
168.04210	1.3
183.46440	0.6
193.15977	5.2
203.10561	0.6
207.17517	3.3
231.17545	2.6
233.15521	1.8
247.16942	0.8
249.18625	36.1
250.18918	2.7
265.12936	0.5
275.16599	25.6
276.16916	1.5
281.18832	0.8
281.21362	7.3
293.17648	100.0
294.17944	7.5
307.19278	4.6
325.20273	89.3
326.20551	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	325.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	2.7
59.01273	3.6
69.03342	2.1
71.39024	0.5
72.99189	2.3
81.03363	0.9
82.66832	0.6
83.04932	3.2
95.04910	1.0
97.02859	8.3
97.06499	1.0
107.08558	0.9
109.06483	0.9
111.08067	6.1
119.08572	1.4
123.08111	2.7
137.09650	3.7
139.11156	0.7
141.09183	1.1
149.09615	0.9
151.11224	1.1
165.12753	0.9
171.10223	0.7
181.12302	1.4
185.11777	1.1
187.09703	0.9
193.12221	1.0
195.10208	1.4
195.13962	0.8
205.15904	0.7
209.11804	1.1
213.11317	13.3
214.11844	0.9
227.12877	2.4
229.12997	0.7
261.18616	5.9
279.19421	0.7
307.19287	6.9
325.20261	100.0
326.20587	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	325.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91656	0.3
59.01265	4.1
62.29869	0.3
71.01274	0.6
71.22093	0.6
79.95643	0.7
85.02830	0.4
88.41540	0.3
101.02402	0.4
106.38563	0.3
108.67901	0.3
121.02865	0.4
124.98121	0.3
135.04475	0.7
170.94307	0.3
178.29076	0.3
183.01173	4.8
184.01811	0.6
197.02765	42.9
198.03432	3.5
198.07170	0.3
198.75255	0.3
203.10654	0.3
211.04300	2.0
219.75398	0.3
225.05937	0.8
230.02531	4.2
243.65431	0.3
244.04092	0.8
267.10547	0.5
281.12186	0.4
325.18488	100.0
326.18762	8.7
329.57306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0938
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01277	6.0
71.01272	1.3
71.51320	1.6
87.99533	1.0
101.39824	0.8
119.04943	100.0
120.05310	4.2
125.78262	0.8
145.02914	2.0
163.03958	78.1
164.04300	3.2
189.87395	0.9
262.05219	1.1
273.52295	1.1
274.53473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1451
Annotation	Broussinol
Peak:m/z	Relative Intensity
50.19308	0.3
59.01266	0.4
65.03846	2.8
67.01772	0.9
68.09112	0.3
69.03341	1.1
80.02581	1.3
91.05429	8.9
93.03356	2.3
95.01296	0.6
97.02332	0.3
97.02832	1.8
105.87733	0.3
107.04969	0.9
108.01447	0.2
108.02077	11.0
109.02863	25.4
110.03271	0.4
119.04944	0.7
121.02872	28.2
122.03659	1.4
123.04455	0.9
130.04253	0.4
133.02893	4.8
134.03674	10.4
135.04451	51.6
136.04774	1.8
137.06007	0.4
145.10167	0.5
146.03680	1.1
147.04454	12.5
147.08081	4.1
148.05255	6.6
149.05977	1.0
151.07536	0.6
156.70349	0.4
159.04485	1.4
159.11720	0.4
160.05231	2.7
161.06033	11.9
161.09683	0.6
162.06374	0.5
163.07605	0.9
172.05309	0.4
173.06032	7.9
174.06618	0.7
175.07643	1.8
176.08379	0.4
177.09167	13.1
178.09573	0.6
185.05988	0.6
186.06873	0.9
187.07620	0.9
188.08403	1.0
189.09192	26.9
190.09514	1.5
191.10852	0.5
197.06105	0.9
199.07637	0.7
201.05540	0.4
201.09203	3.6
203.10760	41.2
204.11041	1.9
211.07619	0.4
213.05557	0.8
214.06454	0.4
215.07367	0.6
215.10774	10.4
216.11487	2.5
223.07611	0.4
225.09299	0.5
227.03627	0.4
227.07008	0.5
228.07877	0.5
238.06406	1.2
239.07069	0.5
241.05132	3.5
255.06664	1.6
255.13969	1.0
256.07443	8.2
257.08054	0.5
257.15649	0.8
267.06641	0.8
281.15567	1.1
283.13498	1.2
307.13483	2.9
310.12143	1.0
325.14520	100.0
326.14871	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	323.187
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.01776	2.6
57.03326	14.7
59.01264	63.6
69.03326	3.6
69.55774	8.8
69.56201	6.5
71.01263	4.1
71.04903	13.2
73.02860	2.8
80.02576	2.2
81.03328	11.0
83.01271	15.1
83.04922	9.3
85.02844	9.0
86.74282	2.3
89.02361	4.0
91.05430	3.8
93.03347	4.0
95.04920	23.5
96.95927	3.8
97.02844	4.4
97.06487	19.5
99.04379	2.8
101.02342	5.0
101.06020	2.8
106.04196	2.1
107.04958	5.1
109.02854	9.4
109.06501	11.6
111.08068	3.0
113.02370	5.7
113.05991	4.4
119.03419	1.9
119.04918	4.6
121.02850	7.1
121.06484	3.8
122.03602	2.4
123.04421	5.8
123.08042	5.8
125.06025	6.0
125.09639	25.8
135.04430	14.3
135.08080	11.5
149.06078	3.0
149.09685	4.8
153.09116	3.5
161.09738	2.2
163.11230	10.2
165.09132	3.3
165.12784	8.1
167.10756	6.2
173.06070	2.3
175.07643	5.1
177.12741	2.6
181.12318	5.9
185.11821	18.8
189.12843	8.2
191.10733	7.5
201.09207	5.8
203.14462	7.4
207.10197	3.2
209.11815	100.0
210.12187	4.8
211.13429	4.5
213.09212	3.9
221.11833	4.8
231.14003	2.8
235.13495	2.4
237.14989	65.3
238.15315	4.6
243.17578	8.7
247.08467	2.0
247.13391	7.6
249.14897	4.3
263.11407	2.6
265.14563	20.2
277.18060	2.6
287.16577	29.8
305.17645	47.6
306.18015	4.1
323.05630	5.1
323.09467	4.0
323.12909	19.9
323.18716	33.6
323.22180	2.6
324.13080	3.0
324.18948	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.187
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
51.14080	0.6
57.03336	5.2
59.01267	10.1
62.88647	0.7
62.97123	0.6
65.90968	0.7
67.01764	1.4
69.03333	5.2
70.83247	1.5
71.01253	2.3
71.04900	1.2
72.99180	2.8
73.02836	1.8
80.02573	0.6
81.03345	6.9
83.01283	0.9
83.04916	15.2
84.02072	0.8
85.02829	1.8
88.68750	0.7
91.04490	0.7
92.24458	0.6
93.03320	0.9
95.01247	0.7
95.04919	4.5
96.95926	1.4
97.02831	4.5
97.06467	2.3
98.03647	0.7
106.04184	0.7
107.04930	0.9
109.06490	2.8
111.08054	3.9
113.02393	1.2
113.06007	1.1
119.08535	1.1
121.06492	1.4
123.04424	2.2
123.08041	2.4
125.06001	0.8
125.09627	1.9
127.11199	1.4
133.18398	0.7
135.08089	1.9
137.09654	11.4
139.07597	3.7
141.09151	1.4
142.02640	1.3
143.07077	1.0
149.06006	2.2
149.09660	2.7
151.07521	0.6
151.11220	0.7
155.10728	7.3
161.04456	1.2
161.09686	1.9
163.11253	4.7
164.08330	1.3
171.10194	1.0
177.09152	1.7
179.10721	8.8
181.12296	5.1
184.65079	0.7
189.09187	1.2
193.08656	1.6
195.10242	26.1
196.10698	1.9
197.11652	0.8
203.14412	2.1
207.10236	2.2
213.11162	0.7
221.11823	1.2
225.11343	8.6
233.19104	0.7
241.15921	0.9
243.17567	0.8
259.17084	10.2
261.18515	1.2
263.11444	0.8
263.33649	0.7
277.18124	5.5
286.46106	0.7
287.16302	1.0
295.19266	1.5
305.17661	19.5
305.20908	0.8
306.18204	1.5
323.12439	2.6
323.18695	100.0
324.19055	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	323.1871
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
57.03329	7.1
57.47417	0.8
59.01263	23.2
59.41210	0.8
69.03349	2.7
69.25302	8.1
69.25713	2.2
71.01265	2.4
71.04906	24.8
72.99194	1.6
73.02850	1.5
80.02592	1.0
81.03347	6.8
83.04927	5.2
85.02837	1.6
85.06471	1.2
87.26123	1.0
89.02335	1.7
93.03358	0.8
93.06978	0.9
95.01302	0.9
95.04919	10.9
96.42792	0.8
97.02864	0.8
97.06506	3.2
98.03661	1.9
101.02372	1.5
106.04168	1.5
107.04940	2.0
109.02843	2.3
109.06502	17.2
110.03674	1.1
111.04422	37.9
112.05186	1.3
113.02373	1.2
115.82457	0.8
115.94510	0.8
119.08609	1.3
119.75062	0.8
121.02930	1.1
121.06497	0.9
122.03661	1.0
123.04470	1.0
123.08074	1.9
125.09659	1.7
127.07576	7.5
133.06485	3.0
135.04424	1.1
135.08081	6.0
137.06004	6.0
137.09637	1.5
138.06764	1.2
145.06544	1.7
147.08080	1.2
149.05971	2.8
149.09663	5.5
151.07585	3.6
153.09167	1.4
161.04512	1.6
163.11255	1.4
165.12752	2.9
171.10208	8.7
179.10667	0.8
185.11795	0.9
189.12787	0.9
194.56511	0.9
200.64125	0.9
203.14264	1.2
205.12292	1.8
221.15437	2.4
223.13435	2.3
243.17581	1.7
249.14955	3.1
259.17111	11.8
263.16525	1.1
265.14172	1.0
277.18198	5.0
285.08630	0.9
287.16541	8.7
303.15729	1.3
305.17645	97.3
306.18030	8.6
323.05701	2.1
323.18698	100.0
323.86890	1.0
324.19028	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	323.1871
Annotation	Albocycline M-1
Peak:m/z	Relative Intensity
50.22585	0.6
57.03339	6.9
59.01261	15.7
65.03861	0.8
65.20078	0.6
69.03342	19.5
69.89528	3.5
71.01257	2.1
71.04904	4.1
72.61370	0.6
81.03339	1.2
83.04920	6.4
84.48129	0.7
85.06490	7.2
89.02350	0.9
90.49435	0.7
95.04944	0.7
97.06496	1.2
98.19824	0.6
101.02302	1.5
103.02550	0.6
109.02817	0.9
109.06521	1.2
109.14190	0.7
111.08041	0.6
113.02367	1.1
135.04451	1.9
137.05968	0.8
137.34464	0.6
149.09642	0.8
157.95593	0.7
161.04553	0.9
165.12793	3.7
168.07361	0.5
175.11232	1.5
193.12309	6.2
199.92075	0.6
201.05656	0.7
235.13370	1.4
237.11328	0.8
237.14940	5.2
305.17593	2.0
307.14792	0.7
323.05597	1.8
323.18686	100.0
324.19037	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	323.187
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.82318	2.1
57.03339	18.7
59.01266	70.6
65.03819	2.1
65.82140	2.2
69.03342	7.7
69.94294	2.0
71.01268	7.8
71.04893	9.4
71.40373	2.4
71.40700	3.2
72.99198	10.0
73.02839	20.1
74.44485	2.4
80.02557	3.3
81.03358	5.4
83.04916	15.0
85.02834	5.1
89.02341	3.0
93.03346	2.1
95.04911	11.7
96.95917	6.6
97.06482	10.0
100.66666	2.2
101.02338	5.1
107.04909	4.6
109.02869	8.8
109.06509	5.9
109.56738	2.0
111.08073	7.9
113.02345	4.2
121.02874	4.4
123.04426	2.3
123.08068	6.6
125.09679	4.8
127.07659	2.0
128.42523	2.1
131.11414	1.9
133.02869	2.3
135.08096	5.1
137.02295	2.0
137.09637	3.4
139.11179	3.4
149.09599	5.8
151.11192	5.3
153.09138	8.3
155.10843	2.5
161.04500	5.2
161.09703	4.3
163.11189	7.1
165.09169	3.0
167.10751	8.9
169.12267	2.4
179.10732	22.7
180.28763	2.0
181.12291	9.0
183.10110	2.6
187.03935	2.3
197.11766	13.7
201.09247	2.3
203.14375	7.4
207.96355	2.5
211.09789	5.3
225.11313	60.1
226.11630	3.1
227.12889	12.1
241.61952	2.0
253.05132	3.6
259.17007	6.4
261.18561	3.4
263.11328	2.5
265.18201	4.4
277.18033	6.2
291.19727	23.9
295.19055	3.6
303.95404	2.7
305.17648	18.1
305.21262	6.5
323.06000	3.6
323.09500	4.1
323.12949	39.9
323.18677	100.0
323.22379	26.4
324.13321	5.1
324.19022	10.1
324.22546	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	323.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.5
57.03325	0.9
58.00476	2.1
59.01264	63.0
60.01592	0.6
63.30327	0.5
69.42014	1.7
69.42430	1.4
71.01270	34.2
72.01618	0.5
72.99189	2.5
73.02837	1.1
76.78218	0.4
83.01280	1.8
85.02840	6.0
87.00780	1.3
89.02336	44.9
90.02676	0.8
95.01276	2.6
98.19836	1.0
99.00748	0.7
99.08079	0.5
101.02342	25.0
102.02678	0.8
108.17069	0.4
113.02354	15.6
119.03413	22.2
128.31369	0.4
131.03415	1.6
143.03458	2.0
143.07092	0.8
144.03770	0.4
149.04497	1.4
159.13754	0.4
161.04503	1.8
161.08144	1.2
179.05586	3.1
305.38141	0.4
323.13535	100.0
324.13910	7.2
326.70663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.3
58.00474	2.8
59.01265	76.8
60.01608	1.2
70.71314	0.9
71.01267	34.4
71.50150	1.2
72.99203	2.9
73.02831	2.5
78.95775	2.0
80.65544	1.0
83.01263	2.5
85.02834	9.3
87.00764	3.2
89.02338	35.9
95.01280	2.6
96.96862	2.5
99.00792	1.0
101.02343	22.2
113.02361	13.6
116.82530	0.9
117.01841	1.9
119.03407	18.3
130.08667	1.1
131.03320	1.3
143.03395	2.1
143.07137	1.9
149.04454	3.8
161.04486	3.0
179.05580	3.2
244.94456	0.9
263.05807	3.2
306.22760	1.0
317.46353	1.2
323.07697	5.1
323.13513	100.0
324.13943	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	323.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36149	0.8
55.01765	1.5
57.03326	1.7
57.45559	0.9
58.00467	2.8
59.01260	79.5
60.01582	1.4
71.01267	41.3
71.30762	2.0
72.99186	9.2
73.02828	2.1
81.88432	1.0
83.01278	3.4
85.02850	8.2
87.00765	3.3
89.02334	45.3
90.02642	1.1
95.01299	2.9
97.02827	1.1
101.01705	2.1
101.02343	29.7
103.00274	3.6
112.44444	1.1
113.02349	17.9
113.03076	1.5
119.03409	21.7
122.87231	1.0
131.03366	1.8
143.03441	3.0
148.47542	1.0
149.06053	1.2
161.04498	3.7
161.08174	1.5
171.81212	1.2
179.05594	3.5
179.28331	1.1
305.05237	1.6
312.67636	1.0
323.05984	3.6
323.13535	100.0
324.10715	1.1
324.13892	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	323.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92768	2.6
55.01752	3.2
57.64635	2.3
58.00471	3.4
59.01264	100.0
61.23294	2.7
64.10594	2.9
67.97036	2.5
71.01273	43.1
71.50928	4.1
72.99177	17.5
73.02814	3.7
83.01283	4.3
85.02852	17.2
87.00768	9.9
89.02341	42.9
95.01279	4.5
101.02345	33.0
103.00273	23.4
109.02847	3.7
111.04378	2.8
113.02347	23.9
119.03423	21.3
123.04414	7.4
139.03949	5.0
146.99263	4.6
147.87151	2.5
161.04523	3.1
164.12811	2.8
191.23235	2.5
247.04637	6.0
247.14717	2.6
255.03340	3.1
305.05212	6.6
316.64645	2.8
323.06314	18.4
323.09592	5.2
323.13535	78.2
324.06961	4.2
324.14023	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	323.1293
Annotation	Crotmarine
Peak:m/z	Relative Intensity
55.26524	0.3
59.01264	7.9
60.64622	0.3
62.64278	0.3
65.03853	2.0
67.01772	1.1
69.24590	4.0
71.01283	0.8
73.02844	0.3
76.42154	0.3
77.25184	0.3
79.05420	0.7
85.02824	0.5
89.02343	0.5
91.05431	7.2
92.05731	0.4
93.03358	1.6
95.01311	1.2
95.82203	0.4
97.02850	1.1
98.20586	0.8
101.02364	0.7
105.06978	0.4
106.75384	0.3
107.04943	0.5
108.02091	2.0
109.02861	20.8
110.03185	0.5
113.02345	0.6
116.20163	0.3
116.91653	0.4
118.62878	0.3
119.04993	0.4
120.14451	0.4
121.02870	11.9
123.04417	0.5
129.07008	0.4
131.08580	0.7
133.02873	1.0
133.06502	1.1
134.03659	1.3
135.04446	50.9
136.04781	1.8
141.07021	0.8
145.02945	0.3
145.06546	0.8
147.04451	3.0
147.08134	0.8
149.06009	1.5
153.68567	0.4
155.08627	0.7
157.06555	0.4
157.10153	0.7
158.03751	0.3
159.04456	1.8
159.08122	0.7
160.05232	0.5
161.06032	3.2
163.07648	0.5
169.06610	0.6
171.04463	1.5
172.05231	1.5
173.06053	3.5
174.06743	1.7
175.07596	7.9
185.06068	3.6
186.06833	0.9
187.07605	11.6
188.08119	0.6
189.05537	0.8
189.09123	3.5
197.06061	0.8
199.07607	3.2
201.09186	32.3
202.09523	2.0
211.07579	0.5
213.09196	6.9
214.09933	2.4
228.04338	0.8
237.12888	0.4
245.10049	0.4
253.05074	1.3
253.12299	0.8
254.05795	0.9
255.13950	0.8
263.11099	0.9
265.05014	0.6
268.07474	1.0
279.13898	0.6
281.11954	1.2
295.13315	0.5
305.11896	1.6
305.21240	0.7
307.09625	0.6
307.22186	0.3
308.10623	1.3
323.12943	100.0
324.13312	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	323.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01263	7.2
65.03851	1.1
69.99570	1.1
71.01261	0.9
71.04906	0.4
85.02860	0.3
89.02353	0.6
89.03866	0.8
95.01280	0.5
101.02309	0.4
108.02086	2.6
109.02860	5.4
113.02361	0.7
117.03354	1.6
119.04945	0.3
121.02864	4.8
121.10167	0.5
122.03576	0.4
123.04429	0.8
125.09621	0.6
130.46745	0.3
133.02878	6.3
134.03697	2.8
135.04456	1.8
137.09659	1.2
145.01811	0.6
145.02892	4.9
146.03642	1.4
147.04433	1.2
149.09717	0.4
157.06499	0.5
158.03673	0.6
159.04483	1.2
159.08084	0.3
161.04480	0.6
161.05826	0.3
163.11186	0.3
171.10216	1.1
173.06003	0.6
175.07562	1.1
177.09174	5.1
177.12761	0.4
178.02684	1.1
180.05666	0.3
183.04608	0.5
185.06123	0.4
185.11758	0.5
189.09186	3.3
195.08200	0.4
197.06049	1.8
198.06805	0.4
199.07605	1.1
201.09216	4.1
208.05212	0.5
209.06084	1.9
210.06755	0.7
211.04070	0.8
212.04843	0.3
213.09195	1.0
221.06100	0.8
222.06833	0.5
223.07693	3.0
224.04745	0.5
224.08392	1.1
225.05586	2.1
226.06313	0.6
235.07655	0.8
236.08394	0.9
237.05582	0.7
238.06201	0.3
239.07156	1.9
249.05644	0.9
250.06396	0.5
252.04390	1.0
253.05109	8.0
253.12405	1.1
254.05843	4.2
255.13887	0.8
263.11090	0.6
264.11496	0.7
265.05057	2.6
265.18304	0.3
266.05692	0.5
266.09555	0.4
267.06680	6.4
268.07492	4.0
269.07742	0.4
273.18723	0.5
277.12430	0.5
279.06665	1.1
279.13907	1.1
280.07443	2.1
281.11859	1.6
291.19785	4.6
293.08255	0.5
295.13461	1.0
300.06497	0.4
305.12048	0.9
305.21280	2.2
306.21674	0.4
308.10593	5.5
309.10873	0.3
323.12958	100.0
323.22049	4.8
324.13303	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	323.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35885	0.2
59.01254	1.2
65.03848	1.4
67.01762	0.6
69.88976	0.4
69.89389	0.6
70.31226	0.2
74.68052	0.2
83.98627	0.3
89.03852	0.6
91.05435	0.2
95.01291	0.4
98.20477	0.2
108.02067	1.8
109.02864	10.5
110.03219	0.5
121.02870	4.2
123.04446	0.6
129.06949	0.2
132.02022	0.4
133.02878	3.5
134.03685	0.9
135.04433	2.1
145.02896	1.1
145.06462	0.2
146.03687	1.4
147.04443	0.8
149.06018	0.3
157.06480	0.2
158.03673	0.8
159.04477	1.1
161.06013	1.0
163.07611	0.3
169.06535	0.3
171.04471	0.4
172.05229	0.9
173.06035	1.1
173.64766	0.2
174.06750	0.5
175.07597	1.3
177.09207	1.0
178.02618	1.2
180.05716	0.3
181.06508	0.4
183.04428	0.6
185.06059	0.6
187.07649	0.9
189.09076	0.4
194.68355	0.2
195.08119	0.4
197.06062	1.4
197.29318	0.2
198.06755	0.7
199.07593	1.0
201.09195	4.0
208.05280	0.2
209.06070	1.2
210.06911	0.9
211.03989	1.0
211.07597	0.5
212.04819	0.4
213.09201	2.5
214.09943	0.4
221.06090	0.6
222.06750	0.3
223.04071	0.2
223.07594	1.1
224.08395	0.7
225.05618	1.9
226.06281	1.0
228.04276	0.4
235.07690	0.3
236.08473	0.3
237.05499	0.6
239.07196	0.6
240.07957	0.3
249.05556	0.5
250.06410	0.5
251.07274	0.2
252.04344	0.4
253.05092	9.2
253.12411	0.8
254.05856	4.5
255.06534	1.6
255.13879	0.5
256.07211	0.3
261.12851	0.3
262.06372	0.4
263.10858	0.5
265.05054	2.7
267.06650	4.7
268.07437	5.4
269.07910	0.4
277.12299	0.3
279.06863	1.1
279.09921	0.3
279.13882	1.0
280.07422	1.9
281.11945	0.5
293.08240	0.4
295.13565	0.6
300.06418	0.7
303.10471	0.2
305.11926	0.9
307.09854	0.3
308.10580	2.8
309.10873	0.3
321.11383	0.6
323.12943	100.0
324.13266	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	323.1292
Annotation	Crotmarine
Peak:m/z	Relative Intensity
50.56101	0.2
59.01268	2.4
65.03851	2.7
67.01779	0.9
69.03350	0.5
69.88367	0.3
71.01273	0.4
71.04903	0.2
73.90017	0.2
79.05428	0.8
80.02553	0.3
89.74308	0.3
91.05428	7.6
93.03355	2.1
93.94984	0.2
95.01276	1.3
97.02849	0.9
98.20502	0.5
105.07026	0.6
107.04943	0.8
108.02084	3.2
108.33482	0.2
109.02863	22.4
110.03214	0.8
117.07018	0.4
119.08498	0.3
119.34033	0.2
121.02873	10.8
123.04466	0.4
129.07018	0.5
130.04178	0.5
130.08678	1.9
131.08946	0.8
131.34879	0.2
133.02864	1.4
133.06519	1.3
134.03685	1.8
135.04446	50.7
136.04782	1.8
141.07022	0.6
143.04973	0.3
143.08582	0.4
144.05728	0.3
145.02902	0.6
145.06532	1.1
146.03699	0.6
147.04453	4.2
147.08076	0.8
149.02388	0.2
149.06012	2.4
155.08600	0.7
157.06522	0.6
157.10170	0.8
159.04442	1.9
159.08095	0.8
160.05211	0.5
161.06036	3.8
163.07629	0.8
169.06502	0.4
171.04460	2.0
171.08118	0.3
172.05273	1.7
173.06030	5.0
174.03224	0.3
174.06784	1.9
175.03983	0.3
175.06044	0.5
175.07597	9.5
176.07899	0.5
177.09233	0.4
183.04474	0.4
183.08147	0.4
185.04446	0.5
185.06030	4.7
186.06810	0.9
187.07614	11.6
188.08070	0.6
189.05540	0.8
189.09180	4.6
190.09569	0.3
197.06062	0.8
199.07643	4.3
201.09187	34.6
202.09538	2.0
209.06218	0.4
209.11894	0.4
210.06908	0.3
211.04100	0.3
211.07487	0.4
212.04674	0.4
213.09204	7.8
214.09932	2.9
215.07074	0.4
221.06374	0.3
223.07690	0.5
228.04266	1.0
229.04803	0.3
237.12897	0.5
239.10751	0.4
253.05087	1.6
253.12378	1.3
254.05879	1.0
255.10437	0.2
255.13979	1.2
261.12839	0.5
263.10965	1.1
265.05170	0.4
265.08707	0.5
267.06711	1.0
268.07419	1.1
279.06808	0.3
279.13980	0.8
280.07550	1.0
281.11850	1.2
289.08752	0.3
290.09402	0.3
293.08319	0.3
305.11905	2.0
305.17609	0.4
307.09607	0.2
308.10641	1.4
323.12946	100.0
324.06488	0.8
324.13263	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	323.1291
Annotation	Crotmarine
Peak:m/z	Relative Intensity
59.01265	18.1
61.54954	0.7
65.03838	3.3
66.63438	0.6
67.01761	1.8
69.03384	0.7
69.21364	4.8
69.21796	3.2
71.01258	2.5
79.05415	1.1
80.92398	0.7
81.03373	0.8
83.04903	0.7
83.23552	0.8
85.02855	1.7
89.02313	0.9
89.03840	0.8
91.05430	8.8
93.03361	3.2
95.01266	1.0
95.04919	0.7
97.02835	1.0
101.02328	1.6
105.06960	1.3
108.02071	3.0
109.02859	23.9
110.03177	1.2
110.36269	0.7
110.72301	0.7
113.02350	1.3
117.03403	0.7
119.03459	0.8
119.04922	0.8
121.02880	12.5
123.04429	1.2
131.05034	0.7
133.02876	1.5
133.06522	1.4
134.03642	3.1
135.04446	67.9
136.04764	2.0
143.22575	0.8
145.06496	1.4
147.04453	5.7
147.08057	2.8
149.05978	2.6
153.43643	0.7
155.08553	0.9
157.06499	0.8
157.10164	0.8
159.04482	2.6
161.04541	1.3
161.05997	4.5
163.07559	1.0
165.12782	1.2
167.10713	0.9
169.06512	1.6
169.58635	0.7
171.04434	2.7
172.05266	1.3
173.06027	6.1
174.06766	2.3
175.07581	10.0
181.12187	0.7
183.08041	0.8
185.06021	4.6
186.06908	1.0
187.07591	13.5
189.05568	1.2
189.09169	11.4
190.09471	1.1
197.15340	0.8
199.07622	3.8
201.09189	43.5
202.09528	1.5
209.11761	1.1
213.09213	8.0
214.09944	2.7
228.04225	1.1
239.10690	0.7
253.05255	1.8
254.05908	1.5
255.14027	0.8
263.11023	1.5
279.13898	0.9
281.11856	1.3
305.11963	2.4
305.17722	1.6
308.10641	2.0
323.12933	100.0
324.13257	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	323.078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44691	1.5
59.01258	25.2
62.94210	1.7
69.03350	4.6
69.46539	9.6
69.46946	3.2
71.01266	16.6
72.99194	1.9
75.00767	1.8
83.01274	5.1
85.02794	1.8
87.00744	2.3
89.02316	3.3
93.03352	28.9
99.00787	34.9
101.02336	3.2
107.04972	1.9
108.02070	3.6
111.00755	2.1
112.42296	1.9
113.02349	2.0
117.03371	16.4
119.04939	23.4
121.02880	2.9
121.06524	1.9
125.02409	1.7
130.04178	7.1
131.04956	15.5
132.05750	10.0
133.02879	10.0
133.06493	12.3
135.04408	4.0
137.02353	2.1
143.04951	14.1
145.02904	10.1
145.06532	29.7
147.04454	100.0
147.07994	2.8
148.04895	3.3
149.06055	13.4
156.05763	3.8
157.06522	10.3
158.03712	2.9
159.03096	2.3
159.04448	9.3
160.05235	11.9
161.02365	2.0
161.06000	14.1
163.03964	4.5
163.07585	8.5
165.05470	2.0
169.06529	19.7
169.54878	1.6
171.04500	5.5
172.05191	3.1
173.06013	27.6
175.03975	25.7
175.07494	9.8
177.05544	22.7
187.04018	2.5
187.05931	3.8
187.07617	63.3
188.07976	5.1
189.05540	49.8
191.07103	19.6
193.05055	3.9
199.07578	4.8
201.05551	36.8
203.03529	12.1
204.03882	1.9
205.05034	30.1
206.05235	1.9
216.04266	1.6
217.05167	4.2
219.06642	41.9
221.04543	38.8
230.49168	1.8
231.06627	5.8
235.06200	4.8
243.06725	3.2
261.07767	6.7
263.05643	49.8
264.06036	2.2
279.08798	7.1
323.07794	28.8
323.13403	2.3
324.07819	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	322.203
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02857	2.3
59.01256	0.9
71.07803	0.2
71.08126	0.2
73.32826	0.2
81.03355	0.6
83.04958	0.2
90.72046	0.2
91.05437	0.6
95.04927	0.8
97.06496	0.4
109.02879	1.3
109.06502	0.5
111.35763	0.2
121.02890	0.7
128.10741	7.1
130.08661	100.0
131.03310	0.2
131.09018	2.5
135.04436	3.8
147.04485	0.4
156.52412	0.2
161.05980	0.3
165.12810	0.8
166.42244	0.2
172.09818	0.4
173.06017	0.3
174.06708	0.3
175.07616	0.6
185.05989	0.3
187.07619	0.7
189.09140	0.4
197.02884	0.2
199.07588	0.3
201.09167	2.7
213.09151	0.5
305.12183	0.3
314.99503	0.3
322.20288	37.6
323.12924	7.7
323.20676	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	321.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26481	0.2
59.01276	1.1
70.15220	0.7
70.15627	0.5
91.01757	1.3
96.15976	0.2
111.81467	0.2
132.02086	0.5
135.00783	1.6
136.76250	0.2
141.88969	0.2
145.02859	1.2
151.16586	0.2
153.01865	0.5
169.43790	0.2
193.06551	0.6
195.04478	0.8
208.05243	1.1
209.06073	1.3
217.93680	0.2
221.06079	1.2
223.04094	1.3
224.04727	0.7
234.07019	0.3
236.04744	0.4
237.05594	2.1
238.06303	0.4
251.03511	1.1
252.04260	1.8
253.04964	0.5
264.04065	0.3
265.05103	29.6
266.05582	3.9
272.73093	0.2
277.05112	11.7
278.05731	2.5
279.06161	0.4
284.62579	0.2
289.05231	0.4
289.08530	0.3
291.06854	1.1
291.09644	0.3
295.36606	0.2
301.09024	0.4
303.06665	0.2
305.08319	0.4
306.08554	0.3
319.09689	0.7
321.11374	100.0
322.11707	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	321.114
Annotation	AC1NSVWC
Peak:m/z	Relative Intensity
59.01263	2.1
59.19164	0.3
61.98709	0.3
63.34437	0.3
65.03827	0.5
69.45274	2.4
69.91901	0.2
71.01283	0.2
79.05415	0.7
83.01242	0.3
88.41964	0.3
89.03845	0.3
108.02061	1.5
109.02867	4.1
115.05460	0.3
117.03336	1.1
121.02890	3.8
123.04450	0.8
129.07002	0.4
131.08601	0.8
133.02882	3.3
133.06516	1.0
135.04433	0.3
141.01712	0.3
145.02893	4.8
146.03598	0.4
147.04463	0.9
157.06487	0.5
158.03668	0.5
159.04501	2.0
169.06487	0.4
172.05247	0.9
173.06013	1.9
175.07620	7.2
176.07880	0.3
183.04520	1.3
185.06070	0.5
187.04135	0.4
187.07556	0.6
195.04495	0.4
196.05223	0.5
197.06047	1.1
199.07594	3.3
209.06079	0.4
211.07603	0.8
217.10272	0.4
221.06013	0.4
227.03552	0.5
233.09669	0.6
235.07629	0.7
237.09070	0.4
247.07703	1.1
249.05746	0.3
251.10829	1.1
252.04207	0.3
253.12411	0.7
259.07816	0.5
259.11340	0.3
261.09219	1.6
262.10040	0.8
263.07132	0.9
265.05084	0.7
265.12039	0.3
275.10880	0.9
277.08862	1.2
277.12445	1.6
279.10385	1.4
290.06076	0.6
291.06744	4.1
292.07224	0.4
293.11914	1.1
303.10190	1.5
304.10873	0.3
305.08212	3.0
306.09052	5.0
319.09860	0.9
321.11386	100.0
322.11707	10.2
338.08090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.6
65.74950	0.3
71.01279	0.3
95.59271	0.3
96.95899	0.4
98.20579	1.2
101.02328	0.3
133.02911	0.3
135.04417	0.3
141.72496	0.3
177.04030	0.3
187.71080	0.3
223.09856	0.4
230.04225	0.4
237.05586	1.0
253.05157	0.5
265.05124	2.0
266.05869	14.3
267.06317	1.2
298.04889	26.1
299.05234	2.0
321.11377	100.0
322.11722	10.5
336.11700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1135
Annotation	Licoflavone A
Peak:m/z	Relative Intensity
51.72330	0.3
52.96709	0.2
59.01260	2.0
65.03828	0.9
67.01774	0.6
69.45773	2.0
71.04903	0.4
79.05403	0.4
88.82565	0.3
93.03337	0.8
95.01254	0.3
98.19875	0.6
108.02054	2.3
109.02860	10.6
109.03613	0.6
115.03912	0.3
117.03381	0.6
121.02870	18.6
122.03212	0.6
123.04408	1.5
129.07024	0.6
130.04227	0.4
131.08595	0.5
133.02879	9.1
133.06482	0.5
135.04462	1.1
143.04884	0.6
145.02881	2.5
146.03706	0.4
147.04433	0.8
149.05991	0.4
155.08623	0.3
157.06451	0.4
159.04472	1.8
161.06012	0.7
167.08635	0.3
171.04440	0.6
172.05249	1.0
173.06009	2.8
174.06731	0.9
175.07596	6.2
181.05914	0.4
183.04475	3.9
184.05194	0.5
185.06006	0.9
187.03951	0.4
187.07573	1.3
193.06509	0.3
196.05296	0.7
197.06052	1.7
199.07611	13.4
200.07922	0.8
209.06091	0.6
211.07584	1.5
212.08374	0.3
221.06149	0.5
223.07527	0.4
233.09860	0.6
234.10216	0.3
235.07576	0.7
237.09036	0.5
239.07158	0.3
247.07654	0.8
249.09166	0.4
249.12880	0.4
251.10796	1.4
252.04478	0.4
253.12328	1.3
259.11404	0.6
260.08392	0.3
261.09277	1.6
262.10001	1.0
263.07123	1.1
264.07843	0.4
265.05106	0.7
266.05908	0.8
275.10944	0.7
277.08734	1.0
277.12305	2.2
279.07089	0.3
279.10129	1.6
280.10568	0.4
287.07379	0.6
290.05908	0.5
291.06674	4.1
293.08853	0.3
293.11893	1.3
303.10339	1.2
305.08258	3.1
306.08994	5.1
307.09341	0.7
319.09537	0.8
321.11368	100.0
322.11707	10.8
322.15454	0.6
338.07864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0987
Annotation	4-O-Cinnamoylquinic acid
Peak:m/z	Relative Intensity
51.98100	0.5
59.01266	2.9
66.20146	0.4
71.01264	0.9
71.59895	0.9
85.02853	0.6
95.01255	0.8
97.02849	0.8
99.00770	1.0
109.02857	18.3
110.03154	0.7
120.05669	0.4
121.02866	3.6
121.06477	1.3
122.03705	1.3
130.77989	0.5
134.03661	31.6
135.04379	2.0
135.97153	0.5
136.01569	5.0
137.02390	0.6
143.04903	0.5
145.02817	0.7
147.04451	14.1
148.04747	0.7
149.06050	0.5
151.03947	0.7
156.05716	0.5
158.03633	1.5
159.04471	2.4
161.04466	0.6
162.06784	0.9
165.05530	1.6
167.49011	0.5
171.04390	0.6
171.08046	1.2
172.05257	1.3
173.06030	30.1
173.09633	1.5
174.06519	1.0
177.05505	1.9
185.06023	3.7
186.06767	1.0
187.03976	0.7
187.07617	13.0
188.08389	24.2
189.05510	0.7
189.08679	1.3
192.07880	0.6
193.05098	1.3
199.07626	3.2
200.08446	2.5
201.05624	0.7
201.09190	17.1
202.06158	0.5
202.09500	1.1
203.07085	4.4
203.10777	0.9
206.05833	6.8
207.06575	1.1
207.10139	0.6
215.07176	0.6
217.08693	1.7
218.05814	1.6
218.09465	12.1
220.07417	6.0
221.04536	1.4
225.80766	0.5
231.06635	2.0
232.07420	3.5
233.11830	19.3
234.05246	0.6
234.12120	1.6
235.06116	1.7
236.06992	3.0
249.07718	4.9
250.08197	0.5
264.06403	1.4
265.11005	0.6
277.10858	100.0
278.11172	6.4
321.09836	12.8
322.10294	0.9
338.19965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33040	2.4
57.03336	44.8
59.01262	40.9
65.83432	2.4
69.03355	3.1
69.62395	16.3
71.01270	27.3
80.04933	4.3
82.06470	3.3
83.01277	3.7
84.04446	12.9
85.02840	20.5
87.00782	23.3
89.02352	18.6
92.04955	19.9
95.04933	3.9
96.04445	4.1
97.01610	5.3
98.03597	2.6
99.00759	4.5
99.04427	36.9
100.63091	2.4
101.02354	20.0
110.06024	36.8
111.00869	3.7
113.02353	35.5
117.01826	2.6
122.06033	45.2
123.03150	3.8
123.04446	6.3
124.03961	7.1
125.02360	11.0
129.01878	5.5
131.03410	10.8
132.03018	4.2
136.03970	36.9
141.01897	3.6
141.05458	3.5
149.04454	5.0
159.02898	4.2
161.04507	57.5
177.04021	6.3
181.03760	11.3
182.04002	3.4
203.11876	24.0
210.40620	2.4
215.11856	9.3
247.10925	37.1
259.10904	48.3
260.11243	2.7
277.12073	4.7
297.74872	2.4
303.10040	4.5
321.10992	100.0
321.22778	3.1
322.11276	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	319.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62342	0.3
58.02860	6.8
59.01261	1.2
61.07837	0.3
64.97453	0.3
71.10036	0.8
72.00788	4.7
74.13394	0.3
79.67780	0.3
82.06530	2.0
85.37040	0.4
91.05431	9.6
92.05734	0.4
97.31482	0.3
111.90102	0.3
112.07597	2.8
118.06549	2.4
119.04998	0.4
124.07626	0.5
126.09155	1.8
129.10258	67.9
130.10619	1.5
135.04420	0.4
139.08696	0.7
147.04453	21.7
148.04799	0.5
153.10236	3.0
154.08675	10.0
155.11848	0.6
164.07120	55.9
165.07407	1.9
169.54446	0.4
171.11345	46.1
172.11646	1.3
183.11314	0.6
216.13971	0.8
229.31410	0.3
233.16605	32.3
234.16951	2.2
273.16046	0.5
275.09158	0.4
275.17706	5.8
277.15610	2.2
292.37778	0.4
319.16684	100.0
320.16983	8.4
334.08807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0674
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
57.03339	14.3
59.01261	2.1
63.02272	3.1
65.00213	6.8
67.98556	0.4
69.03340	1.1
71.01269	0.7
71.04920	0.8
72.99213	0.8
77.07081	0.4
81.03355	1.4
82.78344	0.4
83.01274	9.8
87.00780	4.3
95.01288	8.9
97.02847	0.8
99.00771	7.4
107.01290	6.1
107.04855	0.6
108.02094	1.1
109.02854	2.4
111.00795	3.2
113.02359	1.2
118.11381	0.4
121.02886	1.0
122.03661	1.7
123.00802	5.8
123.04439	1.4
124.01591	16.6
125.02368	100.0
125.09624	1.7
126.02708	2.4
133.02914	0.8
135.00797	0.8
135.04422	2.5
136.01601	0.8
137.02371	2.6
138.03172	1.0
139.00307	2.3
143.05069	0.5
146.03667	1.7
147.04454	0.9
148.01518	0.7
149.02361	4.2
149.05975	0.5
150.03233	2.5
151.00314	13.6
151.03928	4.0
152.01091	25.4
153.01913	2.8
153.05533	1.5
159.04485	1.0
161.06062	0.8
163.03975	2.0
163.11223	1.7
164.04778	0.8
165.01842	0.8
165.05537	2.1
168.04268	0.5
169.01395	1.7
172.05258	0.8
175.03986	0.9
178.98239	0.6
178.99815	11.7
179.07095	2.0
181.12352	4.7
183.04393	0.4
185.06215	0.6
186.06870	1.0
187.03970	1.5
188.04756	2.4
189.05518	0.7
192.04269	7.5
199.03975	0.5
199.13387	8.5
201.05588	1.2
203.07037	0.7
207.06633	7.4
207.10246	6.5
208.06947	0.5
209.15512	0.6
213.05643	0.8
214.06337	1.9
215.03506	1.8
216.04289	2.6
225.11331	16.2
227.03593	0.6
229.05153	1.5
229.08720	1.6
230.05850	3.4
231.06622	6.8
233.04538	1.4
243.12396	12.6
244.12814	0.5
245.08240	1.3
249.07745	1.5
255.06731	0.5
256.03766	1.2
257.04520	0.9
258.05426	4.2
271.06268	0.8
273.04495	0.9
273.07758	11.5
274.04895	4.0
274.07852	0.8
281.14026	0.7
284.03342	1.6
289.07251	71.3
290.07602	4.2
299.05817	2.4
299.15417	0.6
317.06760	69.4
317.10291	6.9
317.16153	19.1
317.19473	1.0
318.07126	6.1
318.16388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56682	0.6
50.73740	0.6
55.01759	0.9
57.03317	2.4
57.54219	0.7
59.01266	5.9
65.22342	0.7
67.01750	0.6
69.03320	0.7
69.31824	0.9
69.32150	7.6
71.01239	1.3
71.04916	5.9
72.99159	0.9
76.55917	0.7
79.72628	0.6
83.01254	0.8
83.04899	1.3
89.02337	2.0
91.03887	3.0
95.01243	0.7
95.04884	0.9
97.02847	6.4
97.06493	4.0
99.00775	31.4
100.01125	0.8
107.04931	0.7
107.33317	0.7
108.21811	0.6
109.02836	1.9
109.06476	2.0
109.39555	0.7
110.03620	2.0
123.04455	1.2
123.08061	2.1
125.02353	1.7
125.09643	12.2
127.11181	2.0
133.02873	1.2
135.04427	2.4
135.08031	1.2
136.05202	1.6
137.02399	1.0
138.03058	0.9
142.02644	3.1
145.10146	1.1
149.06023	1.7
150.03174	2.1
151.00342	1.1
153.12785	2.1
155.14334	1.8
161.09714	1.0
163.11229	16.9
165.05562	0.8
171.10281	1.0
179.10664	1.1
181.12302	49.9
182.12662	3.4
191.03339	0.8
197.11844	2.3
199.13382	40.8
200.13760	2.7
207.10245	47.8
208.10587	3.3
225.11327	95.0
226.11694	4.9
243.12402	100.0
244.12755	6.4
255.11478	1.0
273.08054	0.7
273.12393	4.9
274.13467	0.7
275.65521	0.7
284.07193	1.1
287.09384	1.4
299.09384	6.1
300.09589	0.8
317.10388	5.0
317.16144	100.0
317.19571	5.7
318.10919	1.0
318.16489	7.1
325.99036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71433	0.3
57.03328	1.1
59.01256	1.4
69.03337	0.5
71.01266	0.4
71.04909	0.4
71.17617	0.8
77.19212	0.2
80.53969	0.3
83.04909	1.2
84.02069	0.3
85.02843	0.8
85.06483	5.1
95.04934	0.4
108.02068	0.7
109.02852	1.2
115.07581	0.4
121.02845	0.5
125.02369	0.8
125.09638	2.0
127.11223	2.6
135.04419	1.7
145.02850	0.7
152.01060	0.6
153.01817	0.5
155.10661	0.3
155.14322	1.0
161.02377	0.4
165.12813	0.8
167.14380	2.0
171.10205	3.6
183.13853	6.5
184.14252	0.5
189.01939	0.6
193.08588	0.4
193.12303	2.5
199.13403	0.8
201.14938	0.4
209.11765	1.4
211.13382	36.1
212.13696	2.7
229.14458	17.6
230.14784	0.9
241.09915	0.5
247.39874	0.3
271.02560	0.4
271.10840	1.1
272.03171	0.5
279.19714	0.9
297.20877	1.0
300.02911	0.6
315.04886	1.5
315.12418	2.0
315.21805	100.0
316.12408	0.4
316.22141	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	317.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87873	0.2
56.38969	0.1
57.03337	16.2
58.03662	0.3
59.01269	0.5
63.24371	0.2
65.00214	0.2
66.85149	0.2
69.39330	1.7
81.03349	2.7
83.01277	8.0
95.01293	0.3
107.01329	0.2
111.00774	0.3
120.02101	0.2
123.00781	0.4
124.01595	2.0
125.02369	100.0
126.02699	2.4
134.80028	0.2
136.01610	0.3
137.02368	0.4
139.00410	0.2
139.03979	0.3
148.01608	2.0
149.02390	1.7
150.03091	0.5
151.00339	0.3
151.03900	0.4
152.01100	0.4
163.00327	0.2
164.01149	1.3
164.04759	0.2
165.01875	1.2
171.04668	0.2
174.03227	0.4
175.04030	0.2
176.01111	18.7
177.01888	7.0
178.02487	0.6
191.03473	26.3
192.04181	3.5
215.03535	0.5
216.04237	0.4
243.02908	0.2
271.02603	0.2
281.13882	0.2
284.03394	0.3
287.02063	0.4
302.04269	1.2
317.06714	34.7
318.07071	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	317.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07290	0.2
57.03339	15.2
58.03695	0.3
59.01271	0.4
70.43411	0.4
70.43804	0.6
81.03366	1.8
83.01277	5.1
83.01731	0.4
124.01601	1.0
125.02371	100.0
126.02707	1.8
126.85576	0.2
137.02362	0.4
148.01602	1.6
164.01077	0.4
164.04739	0.4
165.01874	0.6
176.01120	9.9
177.01926	2.3
191.01743	0.6
191.03487	11.9
192.04247	2.9
207.06712	0.6
213.57010	0.3
216.04231	0.3
302.04422	0.3
317.06726	18.4
318.07059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1245
Annotation	Pochonin F
Peak:m/z	Relative Intensity
51.57711	0.3
65.03842	3.5
67.01768	1.4
69.87141	0.3
74.64264	0.4
80.02568	0.5
91.05424	10.8
93.03356	2.8
107.04971	0.8
108.02069	3.7
109.02860	51.9
110.03222	1.4
111.00789	0.5
116.09003	0.4
121.02872	13.7
122.03679	4.4
123.04440	1.6
133.02911	2.1
134.03693	2.3
135.04446	89.3
136.04723	3.2
147.04456	13.4
148.05247	10.8
149.05707	0.5
155.08574	0.3
159.04565	0.6
160.05252	3.1
161.06007	3.2
165.05513	0.6
165.14580	0.4
167.07085	6.6
173.05983	0.8
181.08755	0.5
187.07652	0.6
190.06274	0.7
191.07101	1.2
193.08676	15.6
194.09055	0.9
199.07568	0.5
200.08452	1.2
202.09973	0.5
208.08936	0.4
211.07625	3.7
212.08432	0.4
212.92046	0.4
212.99693	0.5
213.05656	0.5
223.07652	0.8
225.09212	0.8
226.09946	1.5
227.07155	1.5
228.07965	1.5
229.81880	0.5
229.84151	0.5
232.07382	0.8
238.09985	1.1
241.05042	0.7
242.09579	0.6
247.13429	1.4
251.07402	0.5
252.07893	3.3
253.08727	1.4
255.06651	6.7
255.24178	0.4
256.06992	0.5
258.09012	0.9
264.07974	0.5
265.08652	0.7
267.06604	1.1
267.10181	0.5
269.08313	2.2
269.21204	0.5
270.09033	7.6
271.09424	0.5
273.11395	0.8
281.08279	0.5
282.08966	1.8
285.07727	0.9
285.11462	0.4
287.22375	6.1
288.22748	0.7
297.11411	3.0
300.10150	1.4
315.12451	100.0
316.12729	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	315.0883
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
57.01545	0.8
59.01254	0.9
65.03842	3.9
67.01778	2.0
70.00950	3.5
71.32959	0.8
79.05430	2.0
91.05440	9.5
93.03355	3.8
97.02866	2.4
98.20499	1.1
105.07013	5.9
107.04932	2.3
108.02082	11.0
109.02859	31.0
110.03243	1.0
111.61156	0.9
116.06990	0.8
117.03399	0.8
121.02867	30.4
122.03619	3.1
123.00802	1.1
123.04441	40.6
124.04790	1.2
128.96538	0.9
133.02892	2.4
135.04448	100.0
136.04803	3.7
146.03697	1.1
147.04453	21.1
148.03699	0.9
148.05168	1.9
149.02327	1.7
149.06021	74.0
150.06328	4.1
152.01079	1.6
153.01874	5.1
159.04416	1.2
161.02368	3.2
161.06030	14.6
162.06746	3.1
175.03984	1.0
185.06071	0.9
185.09618	1.3
187.07655	0.9
198.87477	0.8
201.09137	1.9
211.07680	1.6
227.10818	2.9
229.08792	2.2
253.08803	5.3
256.07498	2.0
271.09811	78.5
272.10159	8.1
297.04236	1.4
300.02805	0.9
315.05411	3.8
315.08829	66.8
316.09128	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1243
Annotation	Pochonin F
Peak:m/z	Relative Intensity
53.58261	0.2
59.01259	0.5
65.03851	3.0
67.01784	0.8
69.39357	0.3
71.59998	0.5
77.09165	0.3
79.46751	0.2
80.02551	0.3
80.77343	0.2
90.66547	0.2
91.05426	8.3
93.03347	1.7
94.38661	0.2
99.52686	0.2
103.05446	0.4
107.04910	0.7
108.02077	4.9
109.02861	44.2
110.03229	1.0
111.00795	0.5
117.03372	0.4
117.44542	0.3
119.04949	0.6
121.02864	11.2
122.03692	4.2
123.04470	1.7
125.02355	0.3
133.02866	1.6
134.03665	1.9
135.04446	65.5
136.04881	1.9
139.03992	0.3
145.02887	0.7
146.03746	0.3
147.04454	11.3
148.05238	7.3
149.05801	0.3
152.01100	0.9
153.01863	0.9
153.05554	0.3
159.04469	0.8
160.05212	2.5
161.02437	0.5
161.06026	3.1
167.07092	5.6
173.06046	1.0
178.06279	0.4
184.06332	0.3
187.07680	0.6
190.06363	0.3
191.07104	0.8
193.08679	10.9
194.09058	0.6
199.07663	0.5
200.08418	1.2
201.08925	0.3
208.08905	0.4
210.06760	0.4
211.07672	3.4
212.08090	0.3
213.05602	0.7
214.06349	0.3
223.07648	1.0
225.09129	0.7
226.09958	1.0
227.03586	0.3
227.07191	1.2
228.07942	1.4
230.09419	0.6
232.07445	0.7
238.10011	0.5
240.07872	0.4
241.05103	0.9
241.08728	0.7
242.09479	0.4
247.09964	0.3
247.13438	1.0
249.11157	0.3
251.07217	0.6
252.07935	3.1
253.08661	1.4
254.05884	0.4
255.06639	6.7
256.07077	0.5
256.11041	0.6
258.08966	0.9
264.07983	0.6
265.08673	0.4
267.06613	0.8
269.08270	2.3
270.09024	6.9
271.06497	0.4
271.09344	0.3
273.11359	0.8
282.09036	1.9
283.09644	0.7
284.07120	0.3
285.07831	0.8
285.11453	0.5
287.12799	0.4
297.11398	2.3
300.10193	1.4
315.12445	100.0
316.12799	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0729
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.67728	0.6
57.03324	0.5
59.01255	0.9
62.31588	0.5
70.57828	1.7
71.01260	3.2
73.02831	0.7
81.03348	0.7
85.02832	2.9
93.03343	0.5
94.93382	0.6
95.01270	2.4
98.55447	0.6
101.02349	1.4
108.02076	100.0
109.02877	28.6
110.03189	0.8
113.02352	1.3
116.62325	0.5
116.65852	0.6
117.03407	0.6
121.02877	1.2
123.00789	1.5
123.04435	1.1
133.02885	1.3
135.04413	0.7
143.99097	0.7
145.02928	0.6
151.03914	1.9
152.01091	81.1
153.01884	29.3
163.03961	1.5
165.01854	1.8
261.12213	0.6
315.07288	80.6
315.16135	1.8
316.07611	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	315.0881
Annotation	3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
50.07089	0.5
59.01256	1.4
65.03846	2.3
65.15057	0.6
67.01773	1.2
70.85205	1.2
70.85606	1.1
79.01870	0.6
79.05422	2.6
80.02547	0.7
81.03334	1.1
91.05430	9.8
93.03358	3.2
95.04897	0.7
97.02853	1.6
105.06998	5.9
107.04941	2.0
108.02085	9.7
109.02861	26.7
112.84550	0.5
117.03355	0.7
119.04966	1.8
121.02870	31.2
122.03730	3.8
123.04438	36.7
124.04798	1.1
133.02881	2.7
135.04448	100.0
136.04770	4.0
137.02339	1.3
137.06015	1.2
145.02910	1.8
145.06575	0.6
146.03719	0.8
147.04466	18.1
148.05150	1.1
149.06020	69.0
150.06342	2.9
151.03899	0.9
161.02403	1.2
161.06023	14.6
162.06799	3.8
163.03926	1.0
169.74529	0.6
172.05309	0.6
173.06056	1.0
185.09636	0.6
186.06758	0.6
187.07637	0.9
197.06041	0.9
201.09172	1.6
203.06970	1.1
211.07556	0.7
225.09149	0.9
227.10811	2.9
229.08717	2.9
238.06256	0.8
243.10368	0.6
253.08725	3.8
256.07349	1.9
271.09814	73.8
272.10193	5.4
300.02460	0.6
315.08804	56.9
315.16135	2.1
316.09125	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	315.0729
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.39095	0.5
59.01242	1.0
62.51507	0.5
64.17870	0.5
65.03847	0.5
66.18564	0.6
69.03313	0.9
70.86332	1.5
71.01266	1.7
73.02828	1.1
77.12869	0.8
81.03343	1.6
84.82847	0.6
85.02848	1.5
93.03364	0.7
97.83667	0.5
99.00761	0.8
101.02336	0.8
108.02078	100.0
109.02873	39.0
110.03185	0.8
121.02887	1.0
123.00801	1.0
123.04405	1.2
133.02873	0.7
135.00807	1.1
151.03943	1.6
152.01094	55.9
153.01891	24.6
154.02226	0.6
163.03928	1.2
165.01831	1.3
195.02995	0.6
209.13614	0.5
263.77814	0.6
315.07281	88.6
316.07611	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	315.0519
Annotation	Pedalitin
Peak:m/z	Relative Intensity
50.64508	0.8
57.03354	0.9
59.01260	3.6
65.00201	1.5
71.51308	1.0
71.51726	1.1
75.02752	0.7
91.01799	0.9
92.78575	0.8
95.01285	2.5
99.08071	1.2
107.01316	1.7
108.02060	2.4
109.02850	3.5
115.93211	0.8
119.01245	0.8
119.04882	1.2
120.63142	0.7
121.02900	1.0
123.00816	3.9
133.02838	1.8
135.00841	0.8
135.04466	2.0
136.01598	1.4
136.63763	0.8
137.02383	2.5
145.02866	2.2
148.01564	4.0
148.05261	0.8
149.71133	0.7
150.03079	1.0
151.00293	2.2
153.01851	1.8
157.08650	1.5
161.02332	0.9
163.00305	1.8
163.03903	1.1
165.01860	1.6
167.24883	0.8
168.64240	0.8
171.04430	1.1
172.05318	0.9
173.02446	0.8
175.03903	1.1
183.04457	4.2
184.05083	0.8
187.03961	1.4
188.04643	1.5
190.99843	1.1
195.04478	0.9
197.02505	0.8
197.11826	1.7
199.03984	3.5
200.04683	2.1
201.01933	1.4
201.05406	1.0
202.02660	2.9
203.03476	2.0
211.04054	5.8
212.04733	2.5
214.02780	2.1
215.03491	2.7
215.12842	1.3
216.04225	3.4
225.32921	0.8
226.02583	1.5
227.03497	8.7
228.04231	3.9
229.01357	1.1
229.04912	1.4
230.02245	1.0
232.03801	3.5
239.03490	3.0
240.04254	1.0
242.02194	1.2
243.02995	9.7
243.06819	1.2
244.03693	3.3
247.06062	1.6
254.02211	1.0
255.03044	20.3
256.03766	13.3
257.04507	3.7
259.06033	0.9
271.02536	23.7
271.06107	5.4
271.18076	1.7
272.03305	18.7
283.02533	10.4
284.03326	22.2
285.04092	17.2
286.04880	5.2
287.05682	10.3
288.05902	1.2
299.01950	1.5
300.02774	14.7
300.06131	3.7
301.03049	0.9
315.05161	100.0
315.08121	4.3
315.15598	4.4
315.21799	10.2
316.05524	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	315.0517
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
54.12852	0.4
63.02259	0.4
65.00211	0.5
67.73763	0.3
70.24801	1.6
80.78954	0.4
83.01267	0.8
107.01262	1.4
108.02037	1.0
109.99993	1.4
123.00775	1.5
124.01563	0.8
127.67535	0.3
135.00806	0.4
139.33656	0.3
148.01569	1.3
149.99477	0.9
151.00320	2.9
157.75682	0.4
158.03632	0.6
159.04413	0.4
161.02455	2.7
163.00273	0.5
163.03928	1.2
164.01085	0.6
169.01331	0.6
170.93471	0.3
172.55482	0.4
174.03247	2.4
175.03914	0.5
177.01910	1.1
187.03960	1.0
188.01108	0.9
188.04739	1.5
189.01874	0.9
190.02672	2.8
199.03966	0.8
200.04692	1.0
201.01857	1.8
202.02695	2.0
203.03481	11.4
204.04083	1.2
205.01346	0.9
212.04703	0.8
213.01927	0.6
214.02698	6.6
215.03499	2.3
216.00658	0.5
216.04288	2.9
227.03529	3.4
228.04251	3.5
229.01492	2.0
230.02199	4.0
231.02983	7.5
232.03780	27.2
233.04077	1.4
233.14830	0.5
238.02686	1.1
243.03023	6.9
244.03796	2.9
247.06096	0.9
254.02029	0.4
255.03067	1.3
256.03772	3.6
258.01874	0.6
271.02539	4.7
272.03275	5.8
282.01617	0.8
299.02032	0.5
300.02808	66.6
301.03143	4.4
315.05167	100.0
316.05469	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	313.239
Annotation	9,10-DiHOME
Peak:m/z	Relative Intensity
57.03313	1.0
58.00473	1.8
59.01256	6.6
67.43669	0.7
69.76577	2.6
69.77001	1.9
71.01269	1.8
89.02335	2.4
95.14417	0.6
101.02315	1.6
107.94775	0.7
113.02335	1.1
121.02849	1.1
125.09651	4.9
127.11217	7.4
132.88582	0.7
137.09644	1.7
139.11220	1.8
145.02870	2.9
155.10733	3.4
165.09152	2.7
171.10213	7.2
183.10248	2.2
199.09726	1.9
199.31310	0.8
201.11299	51.3
202.11679	2.0
253.09262	3.9
269.21353	0.9
277.21799	6.2
295.22784	3.8
313.03430	1.1
313.23904	100.0
314.24258	7.7
332.62079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0518
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
53.69445	0.7
59.01291	0.8
63.02279	3.4
65.00237	1.7
70.71236	0.6
73.14799	0.7
79.69801	0.5
83.01297	0.9
87.93206	0.6
93.03381	2.8
95.01316	2.2
96.89203	0.6
106.45258	0.7
107.01329	2.0
108.02089	1.1
109.02875	1.3
117.19144	0.6
119.01302	4.0
121.02876	1.5
125.02340	0.6
133.02925	2.2
135.00792	14.1
135.01715	0.9
135.04460	0.9
145.02916	1.0
149.02402	4.0
151.00360	0.7
152.01181	1.0
157.06563	0.8
163.00316	56.2
164.00687	2.2
171.04543	0.7
173.02414	1.2
177.01888	1.2
180.05823	0.7
181.06622	1.7
183.04529	2.6
185.02455	2.0
187.00302	0.6
187.03970	0.9
197.06104	2.5
199.03888	3.0
201.01930	1.4
201.05565	3.2
209.06010	1.0
211.04054	1.3
213.05687	1.1
225.05566	7.9
227.03494	4.1
229.25615	0.9
241.05144	5.5
251.03622	3.3
253.05159	4.7
255.03122	1.9
263.90045	0.6
269.04590	30.3
270.04977	1.9
271.02686	0.8
297.04105	94.1
298.04453	7.5
299.99435	1.1
300.02875	1.1
313.03656	0.7
315.05164	100.0
316.05496	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	313.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
58.00486	0.3
59.01265	2.5
66.02909	0.3
67.01752	0.3
67.68121	0.3
69.03340	0.9
71.01272	1.1
71.04919	0.3
75.00755	0.3
76.37276	0.3
81.03359	0.6
83.04911	6.4
85.02838	3.1
89.02317	0.5
90.15990	0.3
94.91029	0.2
95.04910	1.0
97.02853	0.4
97.06480	0.7
97.11147	0.3
98.07114	0.2
101.02344	0.3
101.68534	0.3
109.06452	0.3
111.04343	0.4
111.08109	0.3
119.04929	0.6
123.08066	1.1
125.09625	1.3
127.11198	1.2
141.09189	0.5
151.11205	0.4
155.14355	0.9
163.11229	0.5
165.12827	0.6
167.10732	0.5
167.14355	1.3
171.10234	7.0
175.11284	0.5
177.12784	1.0
181.12321	0.3
183.13881	5.7
185.11758	1.5
191.10422	0.3
193.12291	1.7
197.11816	0.9
199.13464	0.5
203.10689	0.5
209.11803	1.8
211.13380	27.5
212.13708	1.6
221.11807	3.1
226.02721	0.3
227.78752	0.3
229.14459	16.0
230.14847	0.5
239.12878	1.7
253.09273	0.5
269.04654	1.0
270.05322	0.4
277.18222	2.2
283.02194	0.3
285.04199	0.7
295.06229	0.5
295.19257	1.2
298.04904	1.2
313.03595	1.3
313.07303	2.3
313.20270	100.0
314.20578	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	313.2391
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.81293	0.5
58.00481	2.4
59.01274	3.9
69.43002	4.1
71.01264	1.2
71.84579	0.5
72.99197	0.6
73.97385	0.5
81.28333	0.5
84.63656	0.4
89.02314	1.4
97.06503	0.7
98.20586	0.5
99.08056	19.6
101.02356	0.9
111.08043	0.7
121.02887	0.9
127.07568	2.9
129.09135	20.8
130.09474	0.8
139.11244	0.6
143.44922	0.4
145.02864	1.3
179.05629	0.6
183.13887	37.1
184.14250	2.2
195.13893	4.3
253.09370	1.3
277.21802	3.2
295.22861	8.5
296.23108	0.8
313.23911	100.0
314.24258	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	313.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23804	0.5
59.01275	2.1
65.00207	2.4
65.03864	0.5
65.94529	0.5
71.01272	1.1
89.02351	0.8
91.01803	0.7
93.03337	0.4
97.02888	2.0
101.02372	0.5
108.02122	0.5
109.02885	2.1
119.03503	0.5
121.02867	2.3
122.03645	0.7
123.04465	1.0
127.89449	0.5
132.02086	1.3
133.02856	3.5
135.04494	1.4
143.40022	0.4
145.02885	1.1
147.00790	0.6
147.04480	1.9
148.01587	3.3
149.02338	0.6
149.99576	0.6
151.03949	0.6
159.04437	0.6
165.01884	8.0
167.06129	0.8
171.04535	1.3
174.17828	0.4
183.02914	0.8
183.04492	1.9
184.05147	0.6
189.01825	0.6
197.05936	0.6
198.03149	0.5
199.04024	2.3
199.07753	0.6
204.25580	0.4
210.06947	0.6
211.03989	7.4
213.01711	0.6
213.05455	0.6
215.03540	1.7
225.05615	1.3
225.09230	1.0
226.02747	1.9
226.06255	0.7
227.01375	0.9
227.03510	9.5
228.03859	0.7
239.03494	2.9
240.04213	0.5
241.04990	3.0
242.05754	0.5
243.03311	0.5
251.07239	0.7
253.05223	1.1
253.09305	0.9
254.02303	1.2
254.05930	3.0
255.03020	17.8
256.03311	1.0
267.02972	0.6
268.03802	0.6
269.04654	8.0
269.08240	16.8
270.05353	6.3
270.08328	0.7
271.05783	0.6
281.04910	0.4
282.01822	0.9
283.02493	4.5
285.04001	0.8
295.02774	0.6
295.05994	1.0
297.04086	3.8
298.04892	70.7
299.05206	5.2
313.07245	100.0
314.07584	7.1
314.15872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	0.6
59.01410	0.8
61.98844	0.3
65.00046	0.3
67.01556	0.6
67.01939	0.9
70.44402	0.9
71.01418	0.3
77.34460	0.3
79.01340	0.3
89.03551	0.3
89.04010	0.5
91.01951	0.5
91.05087	0.3
92.26497	0.3
93.03475	0.4
101.01784	0.2
105.03512	0.5
109.03059	1.5
117.03578	1.4
121.03056	0.8
132.01442	0.3
132.02310	0.9
133.02005	0.8
133.03090	8.0
134.03633	0.2
135.04645	3.2
145.03036	0.5
148.01730	0.4
148.05334	0.4
149.02544	0.7
155.05086	0.4
157.03073	0.8
158.03845	0.3
159.04454	1.7
160.01613	2.0
161.02432	0.5
163.00368	0.3
170.03864	0.6
171.04665	0.4
173.02562	0.4
174.03351	1.2
177.02063	0.9
180.05901	0.5
181.06679	0.5
182.03732	0.5
183.04675	1.0
187.00410	0.4
191.07199	0.5
194.07449	0.7
195.08154	1.4
196.05458	0.3
197.06223	0.9
198.03218	2.7
199.04056	0.6
201.02029	1.2
202.02679	2.3
206.07501	0.9
207.08131	2.7
209.06085	1.5
210.06786	0.3
211.07809	0.8
214.02824	0.5
215.07272	0.4
221.06239	0.4
222.07022	0.3
223.07744	0.9
224.04938	0.9
225.05388	0.4
226.02733	7.5
227.03467	1.6
227.07248	0.9
237.05611	0.4
238.06462	0.6
239.07123	2.0
242.02345	1.0
250.06296	0.6
251.07103	1.3
253.05266	0.4
253.09277	0.4
254.05864	0.4
255.03107	0.8
255.06708	0.7
267.06696	0.9
269.04590	0.8
270.01779	2.5
271.02097	0.4
281.04572	1.0
282.05048	0.4
283.06171	30.5
284.06488	2.3
285.04135	10.6
286.04422	0.7
295.06171	58.3
296.06516	4.4
297.03995	0.4
298.01129	1.0
298.04834	1.3
311.05716	1.8
312.05951	0.3
313.03625	13.1
313.07196	100.0
314.04105	1.4
314.07565	8.0
314.11133	0.7
334.74567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0726
Annotation	Aflatoxicol
Peak:m/z	Relative Intensity
56.75366	0.3
56.97913	0.4
59.01244	0.9
67.01772	1.9
69.25303	3.7
69.83935	0.4
75.01394	0.4
89.03833	1.2
91.01778	0.6
93.03339	0.4
97.35506	0.4
105.03427	0.4
107.85582	0.4
109.02885	0.8
117.03365	1.5
132.02080	0.9
133.02882	9.1
135.04442	1.4
149.02341	0.6
155.04959	0.7
157.02917	0.6
159.04420	2.1
161.02303	0.5
171.04477	0.4
177.01897	0.6
180.05713	0.5
181.06612	0.5
183.04427	1.3
183.08083	0.4
193.06526	0.7
194.07193	1.0
195.08081	1.7
197.06039	0.9
199.03882	0.5
201.02075	0.4
205.06496	0.6
206.07352	1.6
207.08139	1.8
209.06042	1.1
211.07748	1.1
221.06117	0.6
223.07693	1.4
224.04776	1.2
227.03477	0.7
227.07069	1.0
237.05547	0.6
238.06294	0.9
239.07112	2.6
251.07085	1.4
255.06754	0.6
267.06741	1.0
281.04614	0.7
282.05292	0.6
283.06174	32.6
284.06473	2.3
295.06174	66.6
296.06461	4.3
311.05609	1.0
313.07242	100.0
314.07614	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	313.0725
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
52.80602	0.4
59.01242	1.4
69.62745	3.1
71.01254	0.5
89.02330	0.4
93.03352	0.6
98.19851	0.8
109.02852	0.4
117.03348	1.0
127.83525	0.5
129.03349	0.5
132.02118	0.4
135.04411	0.9
137.02290	0.5
145.02890	0.5
155.04929	1.6
159.04390	0.5
163.00328	0.6
167.04976	3.5
169.02858	0.6
171.04459	0.8
183.04495	4.0
185.02397	0.5
187.03993	1.2
189.99072	1.1
195.04474	1.2
197.02649	0.5
197.11514	0.4
199.03984	9.2
200.04256	0.5
201.05524	0.7
208.00179	0.4
210.03304	0.7
211.04002	15.8
212.04301	0.8
213.01936	10.7
214.02449	0.6
214.06343	2.1
226.02692	1.0
227.03535	4.3
239.01286	0.7
239.03508	6.7
254.02077	0.5
255.03027	19.0
256.03345	1.3
281.01105	1.9
283.02545	43.1
284.02936	3.1
297.04031	0.6
298.04886	100.0
299.05203	8.0
313.07245	53.6
313.14752	1.2
313.20151	1.2
314.07639	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21525	0.3
59.01262	1.9
63.02276	0.8
65.00217	0.4
69.38943	0.9
69.39356	1.8
71.01265	0.5
73.43265	0.3
78.53818	0.3
83.01272	0.4
85.02773	0.3
89.02318	0.4
91.01779	0.4
92.67447	0.3
107.01277	0.8
109.02834	0.8
121.02874	0.6
132.02074	0.7
133.98962	0.3
135.00778	0.7
135.04404	0.9
139.11195	0.5
145.02878	0.6
145.06462	0.3
146.03629	0.8
147.04491	0.3
148.01558	0.8
151.00313	0.4
158.03621	0.4
160.01631	2.5
165.01903	0.6
170.03673	0.4
174.03238	1.6
176.01062	0.5
176.57603	0.3
177.05516	0.8
182.03604	0.3
184.43867	0.3
185.06067	0.3
187.00229	0.3
194.07310	0.4
196.05231	0.3
197.05893	0.5
198.03177	3.3
199.03723	0.4
200.01132	0.6
201.01843	1.0
202.02722	3.2
209.06038	0.6
211.03905	1.1
211.07486	0.4
213.01918	0.4
213.05437	0.3
214.02736	0.6
215.07445	0.4
215.66264	0.3
218.31487	0.3
223.03983	0.3
224.04721	0.6
225.05513	1.4
226.02731	9.4
226.06180	0.7
227.03178	1.0
227.07085	0.4
237.05606	0.6
238.06413	0.5
239.03517	2.6
239.07141	0.6
240.04170	0.9
241.04970	1.3
242.02089	1.2
253.05063	2.3
253.09251	0.7
254.05800	0.8
255.02956	0.8
255.06512	0.4
267.03061	3.3
268.03787	8.9
269.04315	2.1
270.01755	4.0
270.04886	0.5
272.01566	0.3
274.01349	0.4
281.04544	2.7
282.02255	0.5
282.05383	9.5
283.02472	0.8
283.06006	2.5
285.04123	14.2
286.04370	1.3
295.06128	2.8
297.04117	1.2
298.01855	0.5
298.04858	13.0
299.05179	1.1
313.03586	16.9
313.07175	100.0
314.03903	1.5
314.07498	7.4
314.11072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0725
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01259	1.6
61.00230	0.2
68.14198	0.2
69.21385	2.6
70.10629	0.2
71.01282	0.4
77.03854	0.3
79.87932	0.2
80.92493	0.3
89.02319	0.3
89.55335	0.2
93.03393	0.3
98.19792	0.5
101.02329	0.4
109.02854	0.3
121.02869	100.0
122.03197	2.7
126.86680	0.2
135.04420	0.3
139.11113	0.3
145.02907	0.5
147.04427	0.4
148.78946	0.2
177.52568	0.2
179.05620	0.2
180.05804	0.8
181.06546	4.5
182.06999	0.3
199.07378	0.3
201.57156	0.2
225.05574	6.4
226.05823	0.3
253.09366	0.6
254.05829	1.1
269.08258	3.2
313.04053	0.7
313.07239	18.0
313.14746	0.9
313.23795	0.3
314.07553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.036
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
59.01255	0.5
68.13420	0.4
71.01254	0.4
73.04391	0.3
76.68909	0.3
80.90095	0.3
81.34631	0.4
88.32430	0.3
105.82030	0.3
130.04193	0.6
136.98584	0.3
145.02853	0.6
146.03644	0.7
154.04160	1.3
158.03728	1.1
161.02354	0.7
163.00331	0.4
164.01109	1.5
170.03685	2.4
174.03215	2.6
176.01135	1.3
177.01862	1.3
182.03720	1.1
185.02385	1.6
186.03165	2.5
188.01170	2.7
189.01880	1.0
190.02609	0.7
197.02370	0.9
198.03194	10.0
199.03535	0.7
201.01883	2.4
202.02759	2.1
202.99846	1.3
203.03389	0.5
210.03210	0.8
212.01031	0.4
213.01900	4.9
214.02698	11.3
215.03081	0.9
218.02226	2.2
226.02721	2.8
229.01413	1.5
230.02219	1.5
231.99927	0.5
241.01421	0.8
242.02217	19.6
243.02635	1.0
245.01044	1.7
246.01709	0.4
252.00587	0.8
253.01457	7.5
253.09447	0.6
254.02046	1.3
269.00986	3.7
270.01721	11.9
271.02185	0.6
274.01169	0.4
281.00970	18.1
282.01321	2.2
285.04092	1.1
297.00449	8.1
298.01236	41.5
299.01538	3.2
313.03601	100.0
314.03958	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	6.9
59.01264	3.8
70.57890	1.2
73.02827	1.5
95.58331	0.3
109.06478	1.3
111.08105	0.5
121.10172	1.1
125.09643	3.5
127.07561	4.2
127.11201	5.8
137.09633	0.7
139.11189	0.9
141.68581	0.4
153.09238	0.5
155.10709	2.4
157.12302	0.8
165.09135	2.0
171.10199	6.5
179.14429	0.4
183.10350	0.6
183.13860	13.3
184.14156	1.0
195.13818	0.9
199.09735	1.5
201.11302	46.4
202.11656	1.6
211.13414	0.5
213.14951	3.8
223.13411	1.2
241.14539	3.4
251.11597	0.5
251.60251	0.4
255.58281	0.4
275.20245	3.0
283.22986	0.5
293.21274	6.0
294.21790	0.6
311.22348	100.0
312.22684	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	312.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27727	3.1
56.11484	3.7
59.01273	19.7
68.93840	4.0
71.01270	6.8
71.50880	5.7
72.99194	60.3
73.02837	5.0
75.00767	7.7
86.05963	3.7
87.00780	29.7
99.99837	3.5
101.02306	4.5
103.00275	39.8
107.04925	9.7
109.02872	4.0
119.04914	18.0
121.02859	8.9
123.04460	18.6
132.04466	7.8
135.04428	14.8
137.06007	5.4
144.04456	4.3
145.02870	8.5
146.06064	13.1
146.99290	5.8
147.04442	9.2
148.03943	8.8
149.05960	7.9
150.05563	7.3
151.03938	6.5
156.72139	3.4
159.04465	8.7
160.03983	3.7
161.05997	5.9
162.05539	9.6
163.03920	5.2
164.07097	9.0
165.05449	6.0
174.05530	6.5
177.05518	16.6
179.66034	4.2
186.05579	10.3
191.03473	5.3
202.04970	4.9
204.06670	23.9
205.05104	5.5
214.05136	5.6
220.06177	5.7
222.07700	9.1
232.06232	10.3
234.83087	4.0
236.05785	4.9
238.07358	6.3
239.05608	7.0
267.05142	14.4
294.06213	15.8
312.07315	100.0
313.07892	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	311.2235
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
51.07346	0.7
57.03340	1.4
59.01263	6.5
66.51944	0.7
68.34480	0.7
71.01225	1.0
71.07200	1.6
99.08064	1.1
111.08051	0.7
113.09598	1.1
120.39078	0.6
121.10155	1.5
123.08017	0.9
125.09641	1.9
127.11227	4.6
129.09125	2.3
139.11203	7.6
141.12802	0.8
151.11140	0.7
155.10715	2.9
165.09148	1.0
169.12306	1.0
171.10225	45.1
172.10599	1.8
181.12303	1.5
183.10229	3.9
183.13863	1.2
185.11775	7.9
197.10121	0.8
197.11824	2.5
199.13371	1.5
201.11295	7.6
201.24886	0.8
211.13368	6.3
251.11377	1.1
275.20163	3.9
293.21289	14.3
294.21585	1.0
311.22345	100.0
312.22717	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2234
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.25234	0.4
57.03329	1.8
59.01263	7.5
66.09185	0.3
68.73509	0.4
69.03342	0.4
70.06806	1.7
71.01261	0.8
72.99204	0.5
73.02837	0.4
79.95673	0.6
82.41808	0.4
83.04910	1.0
85.02828	0.6
97.06495	0.4
101.02322	0.6
109.06537	0.4
111.08067	2.1
113.09624	1.6
115.79375	0.4
118.26808	0.4
123.08015	0.8
127.11193	0.5
137.09654	0.7
139.07536	1.3
139.11253	0.8
141.09157	1.7
151.11259	0.7
153.09146	0.7
153.12762	0.6
155.10727	1.7
161.04469	0.5
169.15904	0.6
183.01192	3.2
184.01836	0.6
187.09691	1.6
191.17987	1.2
197.01054	0.7
197.02753	9.0
198.03389	1.2
199.09633	0.5
209.18846	0.5
230.02556	1.5
237.22212	0.4
247.20776	1.1
251.11275	2.0
253.08936	0.4
265.21780	3.8
278.72641	0.4
293.21332	1.0
311.16858	28.9
311.22318	100.0
312.17255	3.4
312.22662	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	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06594	0.5
52.91547	0.6
57.03337	7.9
58.00472	0.6
59.00999	0.6
59.01257	3.0
70.71529	0.7
70.71878	1.2
71.04925	1.1
73.02842	0.7
85.02853	2.8
87.04412	18.4
173.08138	1.1
223.17032	44.7
224.17378	3.1
235.17029	4.5
253.18155	0.8
275.20190	3.1
293.21326	6.7
309.20917	0.8
311.22339	100.0
312.22702	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	311.2235
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.05212	0.4
51.12130	0.4
55.81706	0.4
57.03322	1.5
59.01266	6.4
69.54041	1.3
69.54462	2.1
71.01266	0.5
77.59785	0.5
81.03370	0.4
83.04891	0.4
84.23856	0.4
97.02869	1.0
97.06487	1.4
99.08043	1.3
113.09644	5.2
121.10152	2.1
125.09624	1.9
126.18917	0.4
127.11187	1.8
137.09673	0.9
139.11214	22.4
140.11575	0.8
153.09181	0.8
155.10707	1.5
165.12827	0.9
167.10722	1.0
167.14395	0.5
171.10220	34.2
172.10571	1.7
179.10815	0.9
183.13863	0.9
185.11826	2.1
193.12343	1.0
195.13866	1.3
197.11723	0.7
201.11290	1.9
211.13393	3.8
223.17119	0.6
228.70911	0.5
232.99298	0.4
251.11258	0.5
275.20209	1.5
293.21289	26.0
294.21567	1.9
308.59421	0.5
311.22336	100.0
312.22678	8.9
330.04080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2237
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.98511	0.6
57.03319	1.1
59.01263	5.7
65.97527	0.6
67.95481	0.7
70.40688	2.0
70.41035	1.2
71.01283	0.8
80.02558	0.6
83.01264	0.8
86.74168	0.6
95.75175	0.6
97.02843	1.0
97.06462	1.0
121.10164	1.8
123.08077	0.7
125.09665	3.2
126.21509	0.7
127.11259	3.3
137.09688	1.3
139.11232	11.5
153.09161	1.0
155.10696	2.0
165.09195	0.9
167.10780	0.9
171.10233	57.1
172.10565	2.8
183.10196	3.7
185.11818	10.1
186.12140	0.8
193.12297	3.4
195.13770	0.7
201.11313	7.7
209.11699	0.8
211.13411	2.5
223.17285	0.7
236.57538	0.6
251.11385	1.1
264.55206	0.6
265.21576	0.9
275.20200	3.6
293.21289	23.1
294.21640	1.4
311.22357	100.0
312.22714	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.2
59.01270	4.5
61.27927	0.5
69.03326	1.1
70.50913	1.1
70.51304	1.5
71.04871	0.6
71.65034	0.4
81.03345	0.6
83.04917	2.1
84.02040	0.5
96.77991	0.4
97.02843	2.8
97.06506	0.7
98.20440	0.5
99.08056	2.4
111.08073	0.7
113.09654	3.2
121.10172	3.2
125.09652	2.1
127.11211	1.4
130.70772	0.5
139.11227	7.8
142.83252	0.5
153.09132	0.7
155.10796	0.5
155.69023	0.5
163.11232	0.9
165.12798	1.7
165.99757	0.5
167.10793	0.8
171.10228	26.3
172.10484	1.1
175.11276	1.1
182.13104	0.5
185.11809	1.5
193.12323	16.0
194.12759	0.8
195.13867	0.7
197.11678	0.9
209.11870	1.1
211.11443	0.8
211.13374	7.9
212.13663	0.6
249.22433	1.0
257.14194	0.5
282.07480	0.6
293.21292	22.0
294.21616	1.6
311.22345	100.0
312.22736	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
68.60548	0.9
70.08537	4.6
71.01270	6.5
73.02824	3.0
83.01285	1.4
85.02837	3.9
87.00738	1.0
89.02317	2.6
99.00761	1.7
101.02351	8.7
113.02370	4.4
143.03546	1.1
159.02991	1.8
161.04485	7.9
187.02483	0.9
208.47244	1.0
235.37547	0.9
251.11380	27.8
252.11749	1.3
293.88928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2025
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01265	3.6
70.81903	0.6
71.01282	0.2
73.25745	0.2
78.42416	0.2
85.02908	0.2
93.10426	0.2
101.02364	0.3
115.69913	0.2
133.06509	2.4
149.09660	100.0
150.09998	4.5
151.51067	0.2
161.04489	0.3
168.34247	0.2
182.99695	0.3
183.01184	3.4
184.01756	0.2
216.00955	0.3
251.11371	0.5
282.07803	0.3
297.09961	0.2
311.16965	6.7
311.20193	61.9
312.12567	0.2
312.17303	0.6
312.20572	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	311.2235
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03329	2.1
57.78326	0.5
58.00467	0.6
59.01264	4.8
67.01173	0.5
69.03349	0.6
70.73383	0.4
71.01260	0.7
71.04922	1.3
71.45747	0.9
73.02845	0.5
80.40581	0.5
83.04916	1.1
85.06520	0.6
97.06509	1.0
98.83833	0.5
99.08057	1.3
111.08069	0.6
113.02399	0.6
113.09630	6.6
116.06139	0.5
121.10137	0.7
129.09174	2.5
133.36479	0.5
139.11212	2.9
140.34206	0.6
141.80147	0.5
145.75418	0.5
153.12820	0.5
155.14366	0.7
165.12808	1.7
167.14420	0.8
169.12286	1.2
171.10228	6.7
181.12271	2.3
183.10139	0.7
183.13792	0.9
188.95343	0.5
193.12325	2.3
197.11742	4.2
199.13371	2.4
211.13391	10.6
211.15369	0.7
212.13737	0.7
247.20686	0.8
251.11411	1.2
265.21756	1.4
275.20313	1.0
282.07745	0.7
293.21295	13.4
294.21616	0.9
297.10013	1.0
311.22345	100.0
312.22711	8.3
318.43338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
61.98732	5.5
67.83080	2.8
69.22594	14.2
69.23016	18.4
71.01264	26.0
73.02837	12.6
75.00764	4.8
83.71168	3.6
85.02837	7.8
89.02338	40.8
89.65965	2.9
93.69669	3.1
95.01329	3.7
99.00765	27.8
101.02366	27.4
107.04938	11.7
111.04420	4.3
113.02351	7.8
121.02885	3.7
125.02406	4.3
131.03456	9.0
149.02412	4.0
149.04491	21.2
161.04485	8.9
163.00238	3.6
191.05621	12.1
208.04021	3.8
236.24916	4.1
249.11281	3.1
251.11324	20.7
283.06104	15.9
286.21228	3.5
311.05743	38.3
311.15219	7.0
311.22321	6.6
311.29617	6.5
312.10117	7.6
325.31937	3.7
326.96881	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	311.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
59.01264	100.0
60.01600	0.6
69.60625	3.8
71.01267	6.7
72.99148	0.5
73.02846	1.6
83.01303	1.4
85.02848	2.8
85.86001	0.4
87.00761	0.5
91.21072	0.4
95.01312	0.7
97.93697	0.4
99.00777	1.0
101.02343	4.6
109.02883	0.5
113.02363	2.3
123.04491	0.6
135.04460	0.8
144.42975	0.5
147.04469	0.6
149.02411	0.8
149.06020	0.5
161.04520	2.5
163.03973	0.6
163.88858	0.5
177.01935	0.8
191.03511	1.3
219.06712	0.7
249.07852	1.7
250.83160	0.6
251.11441	2.1
267.08829	1.0
269.10291	3.5
283.06262	0.8
293.06738	4.8
311.07922	8.5
311.11176	1.2
311.22617	0.8
311.29794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0724
Annotation	Furoparadine
Peak:m/z	Relative Intensity
52.73788	0.7
57.65959	0.7
63.02296	1.7
65.00211	1.5
67.69402	0.8
70.07516	3.6
73.32961	0.8
80.79232	0.9
83.01249	0.8
90.03392	1.5
93.03356	4.0
94.02873	2.5
95.01292	9.3
97.65810	0.7
107.01328	1.6
109.02808	1.4
117.03420	1.4
118.02901	2.4
119.01289	3.6
119.04942	69.2
120.05273	2.6
122.02393	27.1
123.00780	1.5
123.02756	1.2
125.02345	0.8
127.07407	0.7
134.02429	4.8
135.00806	10.4
137.02356	3.4
143.04958	0.9
145.02896	2.5
146.02383	6.2
149.02394	0.8
149.99541	9.2
151.00281	2.7
151.32635	0.8
160.00339	1.1
162.01947	3.8
163.00319	43.8
164.00780	1.3
164.03487	1.8
173.06038	0.8
176.03510	2.2
177.01855	3.3
188.03432	1.3
190.01433	27.8
191.01846	1.5
199.02640	1.4
204.03023	4.0
208.02451	5.0
216.02994	3.4
224.73071	0.8
226.04929	0.8
239.07266	1.3
241.04958	1.0
248.07095	1.0
264.06683	0.9
266.08334	1.1
267.06677	0.8
268.06140	1.1
269.04538	1.5
270.05319	5.5
281.62045	0.8
283.06180	19.9
284.06546	2.0
292.06375	4.4
293.06961	1.1
298.95782	0.7
310.07272	100.0
311.08167	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	309.2078
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.76896	5.0
57.03339	27.5
59.01267	47.9
60.50895	4.6
61.93430	6.0
69.27810	40.9
69.28231	11.9
71.01260	15.7
83.04909	8.5
85.02869	6.1
95.04951	6.3
99.00814	7.3
101.02338	8.4
109.65677	5.3
111.08067	6.2
113.09608	9.6
125.09664	6.7
128.99594	5.7
137.09627	6.1
139.11139	8.7
151.04012	11.5
151.07610	31.0
151.08583	5.9
151.11189	35.2
152.08313	19.1
155.10672	16.0
163.11235	6.2
165.12817	36.0
171.10219	29.4
179.10703	19.4
181.12306	40.4
185.11810	27.0
191.10759	15.3
197.11642	8.8
205.95457	4.9
209.11807	100.0
209.15442	40.3
211.13364	10.0
229.75508	5.7
246.46396	5.3
247.20752	8.7
252.10095	7.2
263.20239	7.9
265.18118	8.4
265.21802	11.3
267.12921	5.7
281.21255	11.4
291.19809	55.1
309.17090	73.2
309.20776	74.1
309.24271	7.6
310.17673	7.6
310.21017	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93039	0.8
56.15952	0.8
57.03327	3.8
59.01270	11.8
61.18866	1.0
65.29293	0.8
69.03304	1.0
69.48553	8.2
71.04880	1.6
79.10764	0.9
80.02574	1.7
81.03320	3.4
83.01272	8.0
83.04928	4.3
85.02809	1.1
95.04906	2.8
97.06480	4.8
98.03620	1.9
99.00776	1.3
109.06460	1.5
111.08054	1.6
123.04373	2.8
123.08035	4.1
125.05977	2.0
125.08886	1.0
125.09653	11.8
127.11152	1.5
135.08113	1.3
136.55762	1.0
137.09624	2.4
139.11220	10.8
149.09584	1.4
151.03914	1.5
151.07617	4.8
151.11142	1.4
152.08299	3.7
162.10379	1.1
163.11232	7.3
165.12804	15.6
167.10733	6.4
168.11240	1.0
171.10153	3.2
179.14258	1.1
181.12245	3.8
183.13791	2.2
185.11726	3.0
190.09819	1.2
191.10645	3.4
193.12207	1.4
193.15935	5.4
196.63023	0.9
197.11676	1.3
205.15781	0.9
207.10144	2.1
209.11827	53.9
209.15143	6.9
210.12071	3.4
211.13316	2.2
223.13150	1.0
226.11798	1.1
247.20721	13.7
248.20706	1.1
252.09856	1.2
263.20090	1.3
265.17935	1.6
265.21649	2.7
273.18539	3.7
281.21179	2.0
291.19730	100.0
292.20041	10.2
295.08350	1.0
309.16940	9.2
309.20645	41.8
310.20938	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	2.0
57.17329	0.9
59.01264	6.6
66.57928	0.8
69.03359	1.2
69.76327	4.6
71.01247	1.0
71.04915	16.0
77.66530	0.7
81.79928	0.6
95.04917	1.3
96.95934	1.0
97.02867	0.9
97.06487	6.0
108.54881	0.8
109.06458	0.9
111.08061	1.0
113.09583	0.8
119.08581	0.8
121.10138	5.1
122.23866	0.9
125.09639	4.4
127.11208	1.4
137.09651	17.2
138.09962	1.0
147.08141	0.8
171.10229	48.9
172.10576	2.1
185.11777	8.3
195.13879	1.7
197.11830	1.5
199.13893	0.7
207.13823	1.4
211.13499	1.5
219.13933	1.8
223.13356	2.2
233.15421	1.8
235.16971	2.3
237.14984	2.3
247.20676	2.8
251.16553	16.3
252.16765	1.5
273.18646	1.3
281.04517	1.1
281.21695	1.1
291.19711	58.1
292.20010	4.3
309.04044	1.1
309.11264	3.0
309.20764	100.0
310.04889	1.3
310.21091	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20578	1.1
57.03322	2.3
59.01263	10.5
71.01247	1.6
71.18695	1.4
71.19041	1.7
74.13151	1.0
83.04883	1.2
101.02336	1.9
109.01482	1.1
109.06461	1.2
111.08092	1.2
113.02307	1.1
123.08079	1.5
125.09636	1.5
137.09645	2.1
151.03938	1.8
151.07564	5.1
152.08328	4.2
155.10661	3.8
165.12769	1.0
171.10210	6.8
173.20337	1.1
185.11768	4.9
197.11783	4.2
209.15474	9.4
237.14799	1.3
247.20679	1.5
249.13400	1.4
263.20212	14.6
264.20554	1.8
265.18121	1.4
265.21689	1.9
291.16519	1.8
291.19672	10.6
309.04141	1.8
309.20712	100.0
310.17853	1.8
310.21075	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
57.03321	3.7
59.01265	10.5
60.24641	1.3
61.58307	1.1
69.03327	1.9
70.73742	3.4
71.01266	1.6
71.04917	16.8
71.68153	1.3
81.71122	1.5
95.04928	1.5
97.06489	6.9
107.04951	1.4
113.18172	1.2
119.08574	1.7
121.10140	10.6
122.79217	1.2
123.08090	1.9
125.09639	9.0
137.09647	19.0
139.11050	1.5
141.12715	1.8
171.10222	41.0
181.12267	1.8
185.11790	17.2
192.28940	1.2
197.11792	3.4
207.17464	1.6
209.11742	1.9
209.15454	3.6
211.13347	1.9
219.13808	2.3
223.17021	2.3
233.15569	1.6
235.17137	2.3
237.14879	2.5
247.20673	2.6
251.16560	46.3
252.16943	2.0
273.18732	3.3
291.19724	92.5
292.20108	7.9
309.20761	100.0
310.21124	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92610	1.1
57.03325	1.7
59.01254	6.0
66.11382	1.0
67.01767	2.2
69.03326	1.5
69.55489	9.6
71.04899	2.9
80.02560	11.5
81.03337	3.5
83.04907	26.1
84.02044	10.2
85.67630	1.1
91.36669	1.4
92.07859	1.3
95.04907	2.5
97.06470	3.7
98.19716	1.9
99.08047	8.0
109.02853	1.3
109.06494	3.0
111.08019	2.2
113.09621	3.0
115.07558	6.3
123.04414	3.6
123.08052	1.6
125.09636	6.0
127.11234	7.3
137.09645	48.3
138.09950	2.5
139.07578	1.4
139.11197	9.3
151.03981	1.4
151.07573	4.6
151.11206	5.3
152.08305	1.5
153.09157	8.9
155.10709	46.7
156.11047	2.0
159.10762	1.1
165.12784	1.7
167.10706	3.7
169.12276	2.5
169.50615	1.3
171.08784	2.7
171.10216	51.2
172.10527	2.5
188.81793	1.1
193.12296	29.5
195.13867	1.9
209.11797	4.2
209.15460	4.9
211.13374	6.2
247.20769	6.3
263.20181	6.3
265.21674	5.1
273.18527	1.7
281.21085	2.1
291.19708	100.0
292.20172	7.2
309.04114	1.3
309.17093	10.1
309.20709	99.0
310.21100	8.7
310.57428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78955	1.8
53.54219	2.2
59.01048	1.5
59.01263	19.8
69.53820	12.5
71.01259	3.2
71.04901	11.1
81.99242	1.7
96.95904	2.5
97.06485	5.2
114.68308	1.9
121.10170	5.1
125.09631	2.8
127.09997	1.7
137.09663	13.9
161.04512	2.4
171.10208	26.6
175.32829	1.7
185.11819	6.0
195.13879	3.3
197.11829	3.6
209.15353	2.3
223.13390	7.4
247.20660	2.1
251.16547	12.7
253.05064	3.0
265.18057	2.5
291.19724	47.8
292.20041	4.8
294.05298	3.5
309.04108	4.5
309.10980	4.5
309.17343	5.9
309.20737	100.0
310.04742	7.3
310.07980	2.3
310.21075	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	1.0
58.00481	1.9
58.26768	0.7
59.01246	1.5
69.03354	1.0
70.75887	1.8
94.07186	0.6
94.87276	0.7
95.04951	0.8
109.06510	1.2
111.08067	26.0
112.08379	1.1
127.07588	2.6
133.34442	0.7
137.09610	1.4
151.07599	0.7
151.11217	2.1
153.12753	1.4
169.12265	6.5
171.10207	1.8
181.12340	1.8
183.13869	1.4
193.12315	0.9
197.11813	100.0
198.12138	4.9
199.13345	4.4
211.13374	12.0
227.12915	2.7
263.20157	8.2
265.18079	2.8
273.18698	1.7
291.19739	22.0
292.20126	1.9
309.20779	45.2
310.21011	4.8
312.19073	0.9
321.02960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96611	0.7
57.03342	1.4
58.84999	0.7
59.01254	1.8
64.33814	0.6
70.72980	1.5
70.73356	1.4
71.01277	1.1
71.04897	1.3
71.52851	0.7
83.04922	0.9
95.04943	0.7
97.06471	1.8
101.05981	0.9
106.09032	0.6
111.08070	1.1
113.09622	1.8
115.07564	1.0
121.10175	0.8
125.05974	0.7
126.06706	0.7
137.09633	1.1
139.11230	0.7
141.09126	1.2
143.37637	0.7
151.07527	1.2
152.08383	1.2
155.10695	1.0
165.12776	2.8
167.14342	1.4
171.10234	1.0
181.12262	3.1
190.06195	0.7
193.12334	1.9
195.13918	2.0
197.11842	1.6
209.15416	1.8
211.13332	3.7
213.14799	0.8
221.15446	1.6
229.14545	0.7
239.12953	0.7
240.13589	0.9
241.14238	0.9
247.20680	3.0
273.18607	2.0
274.18997	0.8
281.21237	1.0
290.86761	0.7
291.19739	37.3
292.19949	3.5
309.20776	100.0
310.17624	0.8
310.21167	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63430	0.8
57.03339	2.0
59.01247	2.1
59.01501	0.8
69.03331	3.8
71.29241	1.8
72.99165	1.3
73.02830	0.9
80.22433	0.9
83.04949	1.0
97.02851	18.3
97.06485	1.5
99.00781	3.5
109.06477	1.2
111.08047	1.2
121.10128	4.0
123.04447	1.0
125.09618	1.7
127.11256	1.0
135.11722	1.5
135.30069	0.8
137.09642	2.5
141.09070	1.2
151.07574	1.1
152.08327	1.2
163.11237	2.5
165.12784	6.4
166.09967	1.1
171.10237	9.9
181.12364	2.2
187.09709	4.3
193.12312	2.0
195.13846	1.0
209.11821	2.4
209.15448	3.9
211.13347	3.5
213.05951	0.8
223.13274	1.6
227.12886	3.3
239.12941	2.4
245.19080	1.2
247.20744	5.7
263.20166	1.9
273.18451	2.5
291.19736	63.2
292.20132	5.2
309.17462	3.6
309.20764	100.0
310.21161	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78931	0.4
57.03332	2.3
59.01260	1.6
63.39758	0.4
67.05430	0.4
69.03325	1.3
69.50603	3.2
71.04910	7.7
72.99183	0.7
83.04921	1.5
85.06464	1.6
87.04414	3.7
95.04945	0.6
97.06481	2.2
99.08079	1.2
106.00996	0.4
107.08546	0.6
107.79697	0.4
109.06503	0.7
111.08060	1.3
121.10142	1.0
123.08089	0.5
125.09644	0.4
133.10109	0.6
135.11716	2.1
137.09682	1.3
139.11195	0.7
149.13318	2.6
151.03967	0.5
151.07542	0.8
152.08339	0.9
165.12825	0.6
171.10225	1.1
189.16420	1.5
193.16040	1.9
197.11777	1.1
203.14418	0.9
205.15990	1.3
207.17511	0.7
209.15414	0.8
211.13394	0.6
223.13559	0.5
241.07266	0.4
245.19142	1.2
251.16559	5.4
263.20282	2.0
273.18579	0.5
277.44568	0.4
281.21225	0.7
291.19705	8.7
292.20013	1.6
307.19052	0.8
309.04193	3.0
309.20758	100.0
310.04865	0.4
310.17590	0.6
310.21124	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.61177	1.1
57.03337	4.9
59.01258	4.5
67.01768	1.7
83.04904	2.3
91.46395	1.0
93.07026	1.5
93.88174	0.9
95.04930	1.5
97.06501	1.0
98.19798	2.0
107.08585	1.1
109.06446	0.9
111.08084	7.8
119.08591	1.0
121.10159	8.9
123.08112	2.2
125.09641	4.7
130.95384	1.0
135.11719	3.7
137.09654	6.1
139.11229	7.6
148.74324	0.9
169.12340	1.2
171.10226	12.5
179.10780	1.2
185.11809	8.7
189.16512	2.2
195.13863	3.2
197.11827	19.6
198.12019	1.4
209.11821	1.4
211.13397	48.6
212.13719	3.6
213.11377	5.0
223.13387	1.7
225.14944	2.9
245.19176	2.6
247.20715	1.6
251.16545	2.5
263.20239	2.2
289.18396	1.2
291.19745	100.0
292.20038	8.3
309.20792	91.8
310.21112	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40922	0.5
53.18196	0.5
57.03336	7.5
57.91169	0.6
59.01265	3.8
69.03341	2.4
71.01271	1.1
71.04893	4.1
81.03349	0.9
83.04920	5.1
85.06484	4.5
87.04409	2.7
95.04928	1.4
97.02854	2.5
97.06506	1.4
98.69772	0.7
109.06490	2.8
111.04409	2.1
111.08059	1.4
125.09647	1.1
127.07516	1.2
137.09685	1.1
167.10745	2.5
171.10272	1.0
177.12819	0.8
179.14359	4.0
180.72870	0.6
181.12233	0.7
183.13809	0.9
192.20720	0.6
195.13873	19.8
196.14139	1.2
205.12300	2.6
207.13847	0.7
217.15959	1.1
221.15463	19.6
222.15799	1.4
223.13396	10.3
224.13660	1.0
229.19557	1.5
229.82747	0.8
233.15474	1.4
235.17163	0.8
239.16521	6.3
240.16805	0.9
247.20686	2.3
251.16519	1.9
273.18591	2.1
281.21216	1.7
291.16391	1.5
291.19724	57.2
292.20081	6.1
309.20767	100.0
310.21133	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
59.01249	1.2
59.61639	0.3
65.72400	0.3
67.03590	0.3
67.29899	0.3
69.03325	0.5
71.01268	0.4
71.04897	0.5
71.53083	0.6
72.99195	1.1
73.02863	0.5
81.23327	0.4
83.04907	1.3
95.04967	0.5
109.06499	0.6
111.08068	1.5
113.09629	0.7
119.08666	0.4
121.10146	7.7
123.08057	2.8
125.09604	0.7
127.11194	0.4
135.11705	2.4
137.09650	0.7
139.11162	0.6
141.09143	3.0
145.31625	0.4
149.13295	1.5
153.09140	0.9
153.12804	1.7
155.10707	1.7
187.09729	7.3
188.10127	0.4
189.16428	1.0
197.11784	0.6
199.09700	0.5
209.15483	0.9
243.17545	0.4
245.19051	1.9
263.20303	2.5
291.19763	8.2
292.20139	0.7
300.36841	0.4
307.19348	0.6
309.20770	100.0
310.21158	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	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44401	2.5
54.88902	2.0
55.01770	6.3
57.03337	7.9
59.01265	27.1
61.98706	2.0
65.03847	56.9
69.03341	3.1
71.01269	12.0
71.04912	38.8
71.59484	2.8
71.59858	2.6
73.02811	2.6
82.50251	1.7
83.04934	2.3
85.02853	4.4
87.00739	2.3
89.02345	4.3
97.06485	64.4
97.31149	2.2
99.00790	2.0
101.02374	4.0
109.06478	3.5
111.58049	1.7
113.02385	2.3
119.08585	10.5
121.06508	95.5
122.06818	2.5
123.08131	3.0
125.02399	2.5
125.09642	41.6
130.09282	2.3
130.27473	2.1
137.09625	5.6
161.04530	13.0
185.11798	82.6
185.13474	4.3
186.12170	4.3
191.14362	2.7
209.11804	33.5
211.13374	34.8
217.12383	2.5
223.13350	2.6
235.13405	100.0
236.13780	6.5
249.14984	4.2
289.18109	23.2
307.10632	9.7
307.15756	5.2
307.19138	41.6
319.09686	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	307.2288
Annotation	Isolinderanolide B
Peak:m/z	Relative Intensity
59.01257	2.3
69.24502	0.8
71.01273	1.5
71.52210	0.7
97.34957	0.6
161.04439	1.9
175.60762	0.8
184.00095	0.7
260.64771	0.7
281.62454	1.0
307.22870	100.0
308.23172	12.0
321.78931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1922
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.19243	2.2
55.01767	3.0
55.05008	2.3
56.83783	2.3
57.03338	6.6
59.01264	27.5
60.12246	2.4
65.03844	61.5
69.03322	2.6
70.75284	4.5
70.75651	4.7
71.01267	16.7
71.04908	43.8
73.02832	6.0
83.04908	4.9
85.02841	3.7
97.06487	79.7
97.07121	5.1
101.02326	5.1
110.47310	2.2
119.08616	12.6
121.06516	100.0
122.06849	3.4
123.08031	4.7
125.09640	49.3
135.08072	4.0
137.09650	5.1
141.12787	2.8
161.04489	14.6
182.23569	2.3
185.11803	84.2
186.12103	5.0
209.11818	37.6
211.13373	39.3
212.13600	2.6
235.13420	92.2
236.13736	6.7
249.14984	4.0
250.45215	2.2
289.18158	28.1
307.10385	13.5
307.19220	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28598	2.5
57.03343	15.0
59.01265	24.7
64.31113	2.5
66.91579	2.7
69.03340	8.4
70.67173	4.6
70.67544	5.8
71.01273	20.6
71.04910	4.7
72.99197	22.6
73.02873	4.1
83.04905	8.0
95.04948	6.2
97.06507	28.3
109.06493	6.4
111.08064	8.2
113.02362	3.8
121.02837	2.8
122.03710	3.0
123.04380	4.1
123.08093	4.5
125.09640	5.6
137.09627	4.2
149.09685	7.9
151.11229	27.1
153.09193	4.6
153.12787	5.7
155.10687	16.2
161.04556	7.3
161.09610	3.5
163.11267	11.4
165.12801	27.7
167.10724	7.6
169.12320	5.4
177.12814	4.9
179.10748	14.3
181.12303	41.5
191.10721	17.5
191.14415	10.5
197.11794	2.9
209.11803	76.1
210.12294	6.3
211.13373	11.3
224.10558	3.5
226.08090	3.1
227.12744	3.0
235.20712	3.5
239.09413	4.5
245.19153	37.3
263.20175	7.2
271.17029	5.7
279.19867	6.1
289.18143	96.2
290.18515	5.7
296.44870	2.4
307.10461	5.0
307.19220	100.0
307.22427	4.5
308.19641	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48144	0.8
59.01259	3.4
65.09063	0.9
70.94816	0.9
71.01260	0.9
71.04907	3.9
71.28395	1.7
74.60115	0.7
79.05936	1.0
80.02559	1.4
81.03349	1.7
83.04913	1.7
95.04943	1.2
98.03671	1.6
106.04166	0.8
109.06501	11.6
111.04456	4.6
111.08067	2.0
121.06533	1.1
123.08046	1.5
127.07561	3.2
137.09630	1.3
143.10670	1.4
145.06592	1.9
146.32434	0.9
149.09596	1.0
158.09410	0.8
161.04582	0.9
167.10716	2.5
177.09108	1.0
179.10703	1.2
179.20616	0.9
181.12245	0.9
191.14351	2.1
195.13821	3.3
207.79005	0.9
209.88292	0.9
235.13188	1.5
245.19119	4.9
251.16656	1.2
271.17023	1.7
271.23392	0.9
284.02570	0.9
287.16495	2.0
289.18167	100.0
290.18600	7.5
298.02481	1.0
307.19208	18.9
308.19537	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.9
57.03331	6.8
59.01255	7.2
67.01767	1.6
69.03335	1.8
69.29919	18.2
80.02552	2.8
81.03345	6.9
83.01276	7.5
83.04914	5.2
87.12157	2.0
95.04939	3.4
97.02850	5.8
97.06479	10.8
109.06515	2.8
119.08556	2.4
121.06489	3.4
121.24741	2.0
123.04424	7.7
123.08035	4.7
125.09631	20.7
127.80482	1.8
135.08084	2.5
137.09682	10.6
141.12782	2.7
142.02614	1.9
149.05983	4.2
163.07582	2.1
163.11237	15.7
164.08382	1.8
164.11563	1.6
165.12778	5.8
167.10677	2.5
175.11401	1.8
180.40216	1.7
181.12326	3.5
185.11766	21.6
191.10709	2.9
191.14386	21.0
207.10229	9.5
209.09891	3.3
209.11838	53.2
210.12187	2.6
217.16032	3.7
225.11269	10.6
243.17458	2.1
245.19118	44.1
246.19542	3.1
255.16264	1.6
271.17072	5.5
289.18164	100.0
290.18512	5.4
292.88028	1.6
307.15710	3.2
307.19211	54.0
308.19406	3.4
313.09186	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	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19505	2.4
57.03338	20.4
59.01266	33.1
65.33194	2.3
69.03338	6.5
69.67300	16.0
71.01274	23.4
73.02813	5.4
80.02576	3.2
83.04898	7.0
85.02817	4.5
93.03368	3.2
93.06981	3.6
95.04913	7.1
97.02847	3.1
97.06494	26.0
101.02336	3.4
103.03899	2.7
106.04188	2.9
107.08554	4.8
108.02072	3.0
109.02909	2.6
109.06498	3.5
109.12483	2.4
111.08080	15.1
113.02379	3.1
119.05013	2.4
121.06545	13.7
123.04420	5.7
123.08100	3.3
125.09654	17.0
135.08058	11.6
137.09637	6.6
147.65697	2.7
147.86522	2.6
149.05992	3.2
149.09665	5.5
151.11226	30.3
153.09158	15.1
153.12801	7.5
155.10709	12.3
161.04526	12.0
161.09586	2.2
163.11205	9.7
165.09074	4.3
165.12798	37.7
167.10719	8.3
169.12445	2.4
171.10225	36.6
177.12845	5.5
179.10765	17.0
181.12306	42.6
182.18245	2.3
185.11800	47.4
191.10753	22.5
191.14423	10.0
195.10164	4.2
209.11819	100.0
210.12152	5.3
211.13330	14.5
212.10526	5.7
245.19141	38.3
246.19435	4.0
246.88298	2.3
261.18631	8.7
263.20337	16.0
270.11127	2.4
271.17059	4.4
279.19785	11.0
289.18176	59.6
290.18405	4.8
307.10419	8.1
307.19214	93.2
308.19489	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	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.5
57.22412	1.0
57.71452	0.9
59.01264	13.4
69.03329	1.8
71.01264	7.8
71.59150	1.1
73.02825	1.5
83.86428	1.1
85.02835	3.1
86.26816	1.2
89.02338	1.5
90.83336	1.1
94.55296	1.0
96.95898	3.3
97.02914	1.3
101.02333	2.3
121.10126	4.6
135.04333	1.4
135.11711	1.7
161.04514	7.3
189.16519	1.2
193.12242	1.8
217.19539	2.4
238.12070	1.7
245.19110	2.0
263.16769	1.6
263.20233	3.3
289.18188	9.0
303.53406	1.1
307.10388	7.5
307.16150	4.0
307.19205	100.0
308.19553	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.5
59.01268	2.1
69.95156	1.8
71.01263	1.1
71.04900	0.5
71.62579	0.3
72.99202	1.8
73.02813	0.5
75.04229	0.3
81.03349	0.4
83.04913	1.3
85.02856	0.3
93.06991	1.0
95.04929	0.5
97.06493	0.3
98.05745	0.3
109.06513	0.4
111.08070	1.0
112.32972	0.3
119.04940	0.4
121.10146	32.0
122.10485	1.1
123.08093	0.5
125.09596	0.4
127.11170	0.8
137.09665	0.8
141.09145	0.6
149.09650	0.5
155.10728	4.5
156.68779	0.4
157.08650	0.4
161.04529	0.8
165.12830	2.0
183.44571	0.3
190.36015	0.3
201.11288	0.6
217.12306	0.6
247.68013	0.4
261.18619	7.7
262.19052	0.6
289.18188	1.3
297.85721	0.4
307.19214	100.0
308.19534	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	307.1558
Annotation	(5R)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
50.72469	1.6
51.48015	1.8
57.03322	1.6
58.00486	1.9
59.01262	22.2
60.99187	2.0
61.98726	1.9
69.30749	5.3
69.31172	13.6
71.01273	10.3
72.99204	22.4
73.02831	3.2
83.04910	15.8
85.02834	5.6
85.99974	3.8
87.00795	7.7
89.02326	2.1
95.04866	2.2
96.72367	2.0
96.91533	1.6
96.95926	2.7
97.06487	6.1
100.98686	1.6
101.02332	6.2
113.99497	100.0
114.99814	2.5
124.01608	3.9
125.02383	3.3
137.02390	1.7
137.09641	2.4
147.04413	2.0
147.08032	1.9
149.02377	10.3
150.80930	1.8
151.11230	2.0
153.01848	4.6
161.04494	10.8
161.05804	2.3
175.03935	7.3
184.34421	1.4
196.03642	2.0
207.17599	3.2
217.15927	2.6
219.10303	10.5
231.13997	3.2
233.15477	2.8
235.16953	7.8
247.13411	6.3
249.14960	3.8
251.16548	5.1
261.15079	3.7
263.09265	2.9
263.16541	5.3
279.16083	16.0
289.14517	2.9
307.08145	6.4
307.11060	3.5
307.15564	97.9
308.15839	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	307.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10057	0.4
55.43621	0.3
59.01048	0.4
59.01267	3.8
66.08478	0.4
68.78004	0.4
71.01273	2.1
73.02840	0.7
74.98956	4.1
79.59019	0.3
81.92210	0.4
85.02842	0.6
89.02316	0.6
90.84196	0.4
91.02100	2.3
92.44930	0.4
93.00036	4.0
97.88554	0.4
99.65475	0.4
101.02335	0.8
113.02353	0.8
135.04317	0.4
139.21309	0.4
149.00897	2.0
159.08420	6.7
161.04510	2.4
161.06319	1.6
166.96596	0.4
192.98090	0.5
206.99724	1.1
209.01273	2.5
217.07204	0.6
221.03021	0.4
223.02834	47.1
224.02940	3.3
225.00710	0.5
241.03917	1.2
243.44337	0.5
289.07684	1.6
291.09161	100.0
292.09268	9.4
298.07578	0.4
307.12726	3.9
307.19092	0.6
309.10242	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	307.1404
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.03336	0.7
58.00480	0.8
59.01264	31.6
71.01266	17.1
72.99184	1.6
73.02827	1.7
83.01263	1.8
85.02850	4.1
85.06474	2.2
87.00777	1.8
89.02340	14.3
95.01288	0.8
98.19814	1.1
99.00784	0.7
99.08046	12.6
101.02341	11.4
113.02362	6.1
119.03418	5.7
127.07558	2.9
129.09177	1.4
137.28973	0.6
141.09109	1.0
145.08636	47.9
146.08984	1.2
161.04495	1.3
179.05603	1.0
187.09738	1.6
213.07333	0.8
307.06683	3.2
307.14053	100.0
308.14352	5.9
327.99802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2492
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01256	2.1
63.55529	1.6
71.01275	1.8
71.06372	2.3
71.06709	2.5
74.82909	1.8
75.76871	1.7
88.23689	1.9
94.40911	1.5
99.29819	1.8
203.03450	1.5
250.08046	1.8
254.51305	1.9
281.99393	1.5
305.24905	100.0
306.25168	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19687	0.2
53.86819	0.2
59.01274	1.4
59.01527	0.3
59.96629	0.2
64.31990	0.2
64.91776	0.3
69.72972	0.4
69.73383	1.4
71.01264	0.9
74.98956	3.8
82.51038	0.3
85.02858	0.4
87.00770	0.3
90.57852	0.3
91.02107	2.6
93.00036	2.5
94.40888	0.3
98.19888	0.4
101.02349	0.3
101.89115	0.2
143.10486	0.3
149.00937	2.4
159.07159	0.5
159.08423	7.1
161.04442	0.6
161.06390	1.6
189.74220	0.3
192.98070	0.6
206.99701	1.3
209.01288	2.1
217.07178	0.4
222.53798	0.3
223.02846	47.5
224.02888	3.5
225.00694	0.3
227.40912	0.2
240.44914	0.2
241.03909	1.6
275.06046	0.5
289.07501	1.6
291.09174	100.0
292.09271	8.9
294.00677	0.3
307.12454	4.1
307.19308	0.7
308.12576	0.4
309.10223	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	305.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52027	0.8
57.03339	1.1
58.43523	0.9
59.01256	7.9
65.90332	1.1
71.01246	1.0
71.04908	34.7
72.05238	1.1
80.02567	1.0
81.03352	4.5
83.04908	1.3
88.79487	0.9
93.03365	1.9
95.04926	16.0
106.04150	2.1
107.04961	2.1
109.02839	1.4
109.06493	15.0
111.04439	1.8
119.04944	1.5
121.06511	5.1
122.03647	2.2
123.04386	1.1
123.08079	1.2
125.09594	1.3
127.07573	2.2
135.08089	4.2
147.04425	2.1
147.08101	3.3
149.09634	1.3
150.06804	1.7
161.06017	2.0
161.09697	1.5
164.08337	1.2
165.09146	8.8
185.11777	1.2
189.12822	13.7
203.14265	1.4
205.15976	9.7
205.51747	1.1
231.13872	2.6
233.11899	7.0
243.17577	11.4
247.13310	1.3
249.14987	10.6
261.18671	3.1
262.04834	1.4
263.16486	1.6
264.01791	1.1
269.15536	1.8
287.16599	70.7
288.16803	5.3
305.17648	100.0
306.17981	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	305.1766
Annotation	Corrin
Peak:m/z	Relative Intensity
56.87439	0.8
57.03326	2.5
59.01264	7.7
65.03848	3.1
66.07962	0.8
69.03325	1.1
71.01270	1.8
71.04909	8.2
71.52381	1.4
78.04208	0.8
78.45399	0.7
79.05422	12.9
83.04927	1.4
93.03338	2.7
95.04945	2.6
97.06493	14.9
99.00787	0.8
106.04147	8.5
107.04926	3.6
109.06512	3.4
118.04433	0.7
119.04947	1.6
120.05720	6.2
121.06507	3.7
121.43305	0.8
121.59212	0.7
123.08072	6.7
125.06060	1.1
125.09645	17.0
134.74887	0.8
135.08086	100.0
136.08385	4.5
137.09645	3.4
141.01610	1.8
151.11203	1.6
155.19092	0.9
162.06834	1.2
163.11201	1.9
171.10155	0.9
175.07776	1.0
176.08444	1.2
177.12801	1.2
183.10272	1.4
185.11816	2.6
189.12836	1.4
199.13266	1.3
205.15997	6.7
207.10248	2.2
209.11760	2.6
221.11848	1.2
231.13853	2.3
233.11992	1.9
235.13319	1.1
243.17407	1.3
249.14990	51.0
250.15244	4.2
263.16449	1.8
277.18246	2.3
287.16559	10.5
305.17648	84.5
306.18033	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	305.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	4.4
57.03340	7.6
59.01266	33.1
69.03358	4.1
69.43665	17.8
69.44083	6.1
71.01271	93.2
72.99196	5.6
73.02841	25.9
77.80831	3.5
81.03352	4.1
83.01289	8.9
85.02844	48.5
87.00778	10.1
87.04416	49.7
89.02336	5.5
92.09785	2.7
95.01302	6.0
95.49844	3.3
97.02862	12.5
99.00787	14.8
99.04387	4.1
101.02346	44.8
112.76151	3.1
113.02375	34.5
113.72919	3.3
114.03147	4.4
115.03926	100.0
116.04230	3.4
125.02372	37.8
142.02641	3.4
143.03450	72.7
148.78683	3.5
161.04491	37.9
174.72911	3.0
305.05344	4.6
305.08832	40.1
305.13962	4.6
305.17615	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	305.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	4.1
57.03333	4.5
57.73281	2.2
57.74399	2.1
59.01262	25.7
69.03348	5.2
70.08839	2.1
71.01269	95.3
71.03981	2.5
71.48190	4.3
72.99192	7.9
73.02836	30.5
83.01257	5.5
84.47409	2.7
85.02842	63.3
87.00775	9.1
87.04406	50.3
88.63879	2.2
89.02348	5.6
95.01289	4.1
97.02848	10.8
99.00777	13.3
99.04421	3.7
101.02344	49.7
113.02353	41.4
114.03146	2.8
115.03915	100.0
125.02374	42.6
140.97615	2.3
142.02664	5.8
143.03435	70.0
143.04565	3.5
144.03804	2.4
159.02913	6.9
161.04501	43.0
207.10025	2.9
239.23643	2.3
305.08844	32.3
305.17657	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	305.1766
Annotation	Corrin
Peak:m/z	Relative Intensity
55.99113	0.8
57.03334	1.3
58.02852	1.3
59.01266	11.5
60.37526	0.8
61.98703	2.0
69.03338	1.0
69.67245	4.4
71.01270	1.0
71.04909	47.3
72.05228	1.0
80.02568	0.9
81.03344	4.0
83.04929	2.5
93.03355	2.4
95.04930	20.2
97.06520	1.1
98.20457	0.9
106.04166	2.2
107.04912	2.4
107.42078	0.7
109.02860	2.3
109.06500	17.9
111.04427	2.6
111.84003	0.8
112.88048	0.7
113.02285	0.9
119.04920	2.2
121.02863	0.8
121.06515	6.0
121.10155	1.2
122.81505	0.8
123.04459	0.9
123.08032	0.9
125.05960	0.9
127.07547	3.9
132.43846	0.7
132.68430	0.7
135.08083	2.1
136.05229	1.4
139.07552	1.0
141.01648	3.6
147.04475	1.7
147.08081	3.9
149.06030	1.7
149.09595	1.4
150.06763	2.6
153.09180	1.0
159.08080	1.0
161.06035	3.2
161.09660	1.4
164.08340	1.8
165.09158	14.0
168.13928	1.8
169.14218	2.5
175.11304	1.1
189.12823	18.6
190.13264	1.1
192.97388	0.8
203.14389	1.0
205.15981	10.7
231.13901	2.3
233.11835	7.4
237.03490	0.7
238.22559	0.7
239.16667	0.7
241.15805	0.8
243.17522	11.4
244.18031	0.9
245.15488	0.8
247.13422	1.0
249.15016	13.3
261.18643	2.9
263.16626	1.5
269.15479	2.7
287.16589	83.8
288.16891	6.6
305.14505	3.4
305.17645	100.0
306.17996	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	304.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82590	0.2
58.02864	37.9
59.01299	0.2
59.03194	0.5
68.67585	0.2
70.02871	0.3
71.11217	0.4
74.80193	0.2
146.47658	0.2
151.11270	0.2
168.13895	100.0
169.14244	4.7
212.12909	4.8
213.13277	0.2
255.88408	0.2
304.19360	1.7
305.17352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63429	7.1
59.01264	38.6
68.99710	9.2
69.03341	10.4
71.01266	30.1
71.04094	12.1
71.04418	10.1
72.99195	67.9
73.02836	13.5
75.00764	13.0
81.03345	16.7
83.01299	6.6
85.02853	24.3
87.00786	68.8
93.03354	22.3
95.01289	13.3
95.04951	16.0
97.02860	22.5
99.04422	8.9
101.02347	13.6
103.00282	100.0
107.04951	11.3
109.02859	37.1
111.04447	15.7
121.02846	22.0
123.00774	17.1
123.04433	39.5
124.01578	12.9
124.46559	8.2
125.02378	23.0
127.03908	8.1
135.04468	17.4
137.02391	28.7
138.05528	7.6
139.03958	28.6
146.99298	15.9
147.04457	8.5
151.03967	22.5
163.03955	16.7
181.05016	17.6
190.55423	6.7
197.04526	17.9
287.04211	17.7
305.05188	64.4
305.11359	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	303.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98138	0.6
53.07875	0.6
59.01257	6.5
68.92188	0.6
69.33458	0.6
71.51321	0.6
72.99233	0.8
95.04925	1.1
101.32829	0.5
103.67639	0.5
108.04461	0.7
110.02430	0.6
110.06033	1.3
120.04483	1.7
121.05256	4.7
122.06037	14.9
131.03711	1.0
132.04471	0.9
134.06107	1.1
136.04004	0.8
136.07578	1.5
138.05548	3.7
144.04477	2.4
145.05264	17.3
145.06392	1.0
146.06056	11.4
147.03255	3.7
148.03975	2.3
149.04738	1.7
150.05589	0.9
150.70135	0.5
159.03174	1.7
162.05515	2.5
163.06326	10.0
164.07117	18.0
165.04333	1.6
165.07272	0.6
166.05037	7.0
173.06062	0.7
176.03476	1.3
177.04274	8.7
181.03804	0.9
181.64510	0.6
192.02942	0.9
194.04559	18.3
195.05348	17.8
196.06093	5.4
208.06140	2.1
209.03284	5.8
210.03761	0.9
224.10834	0.8
255.11391	5.8
267.11411	6.7
273.12503	39.5
274.12961	3.2
285.12503	100.0
286.12827	6.8
303.05136	0.7
303.10104	0.5
303.13538	11.4
304.14136	0.7
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
59.01268	4.7
68.99697	0.6
69.60413	3.6
95.04935	1.2
99.04428	0.7
100.12643	0.6
110.06029	2.0
120.04455	0.8
121.05256	3.9
122.06043	12.4
122.45961	0.5
124.92443	0.5
132.04521	1.1
134.06047	0.6
134.08916	0.5
135.48024	0.5
136.03967	0.9
136.07603	1.5
138.05528	0.9
139.52821	0.5
144.04469	2.7
145.05275	12.7
146.06081	8.0
147.03194	2.8
148.04001	1.6
149.04765	1.6
150.05484	0.8
159.03075	2.1
160.03911	0.6
162.05501	2.8
163.06348	7.9
164.07129	14.1
165.04233	0.7
165.07480	0.6
166.05035	6.5
167.45633	0.5
176.03484	2.2
177.04268	7.7
178.05006	0.7
181.03807	0.6
181.81696	0.5
192.02995	0.9
193.24088	0.5
194.04567	16.9
195.05347	14.4
196.06119	6.9
208.06117	1.7
209.03311	3.6
210.03976	0.7
224.06764	0.5
224.10892	0.7
227.04446	1.0
242.11909	0.7
255.11447	4.7
267.11450	5.4
273.12512	38.9
274.12872	2.9
285.12518	100.0
286.12842	9.6
303.06290	1.2
303.13638	7.3
318.48917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	3.8
59.01263	86.7
70.96784	4.4
70.97108	3.9
71.01270	37.8
72.99200	52.8
75.00775	21.5
79.05417	5.7
83.01279	4.6
84.02061	2.7
87.00761	6.5
89.02342	71.2
93.03338	4.2
95.04909	4.9
97.06512	25.4
99.00777	18.5
101.02349	3.1
105.06965	2.8
107.04939	5.2
108.02045	4.0
109.02846	3.8
109.06503	7.1
111.00801	3.7
111.08067	13.2
112.98690	11.8
113.02303	3.2
115.00297	6.4
117.01856	47.2
120.05720	5.3
121.02853	3.6
121.06532	17.4
123.04465	3.4
123.08054	7.2
124.01567	6.0
124.98687	6.6
125.02387	17.0
125.06013	11.9
135.02934	21.8
135.04462	4.4
135.08070	3.4
137.02371	5.6
137.06030	4.5
139.07596	19.1
141.01846	10.4
142.99800	100.0
149.06029	19.9
151.00356	3.2
153.05501	28.6
159.04489	3.6
161.02376	6.4
163.07558	4.4
166.06264	8.3
167.07094	38.8
173.00888	28.1
174.01646	33.1
175.03896	4.7
177.01865	4.7
181.08635	19.0
183.06541	5.0
185.11794	6.0
193.05006	8.2
196.82599	3.1
199.03958	6.9
209.08041	3.4
211.06082	7.2
217.08713	2.8
225.07703	50.9
243.03044	6.1
271.02533	39.1
272.03006	8.0
285.04172	3.4
303.05063	28.5
303.08813	9.3
303.13797	3.4
303.21616	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	303.0516
Annotation	Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01756	1.5
57.03333	7.1
69.03357	1.1
70.39501	3.2
71.01286	2.7
73.02853	1.2
83.01266	5.5
85.02841	1.8
95.01292	2.6
97.02856	2.7
99.00780	32.3
100.01108	1.6
109.02863	1.6
111.00785	12.3
112.67998	0.9
113.02348	3.1
121.02892	1.7
123.00806	7.4
125.02367	49.3
126.02702	2.6
133.02885	3.3
136.59657	0.9
137.02351	0.9
139.00305	13.7
140.01120	1.0
141.01868	100.0
142.02182	3.9
145.06581	1.3
149.02460	5.2
149.03491	1.0
151.00307	3.1
151.03943	1.7
159.04463	3.0
159.47971	1.0
161.02396	27.5
173.05989	1.6
175.03955	1.3
177.01892	31.7
178.02438	2.9
179.03464	3.5
189.05579	2.3
203.03432	4.2
217.05057	2.4
231.06665	1.7
241.04892	1.8
243.02946	0.9
257.04373	1.1
259.06253	4.5
285.04251	2.5
291.48788	1.0
303.05145	37.6
304.05396	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	303.0518
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.03335	16.7
59.01257	2.4
61.98708	0.5
63.02290	0.9
65.00202	2.6
68.99719	0.7
70.53783	1.6
71.01241	0.6
81.03345	1.0
81.52483	0.5
83.01283	6.4
85.02853	0.6
93.03329	0.8
95.01311	1.5
105.03310	0.6
107.01310	2.4
108.02068	1.1
109.02861	3.1
111.00782	1.6
117.01866	0.6
121.02899	2.0
122.03619	0.6
122.91145	0.5
123.00810	0.9
123.04443	6.8
124.01606	1.7
125.02369	100.0
126.02691	2.6
133.02921	1.0
137.02406	1.4
139.03979	2.7
141.01932	0.8
146.03656	1.3
147.04460	2.1
149.02376	4.6
150.03183	6.5
151.00308	9.2
151.03951	9.5
152.01126	3.5
153.01888	8.0
161.02386	1.5
161.04602	0.6
161.06017	1.4
165.05537	1.2
169.01352	0.8
171.04430	1.1
173.06038	0.9
174.01704	1.2
174.03197	2.8
175.03964	16.9
176.01166	0.7
176.04301	0.8
177.01884	19.6
178.02232	0.9
178.99820	11.1
180.00270	0.6
181.01358	2.3
185.06076	0.7
188.04802	1.8
189.05531	4.6
193.05061	3.6
195.04599	0.6
197.05959	0.6
199.03986	8.8
201.01935	2.3
213.05562	1.5
215.07188	0.9
216.04320	1.2
217.01740	0.6
217.05083	10.0
218.05397	0.9
219.02982	0.8
231.06746	1.4
241.05034	5.6
243.03008	1.4
257.04611	1.3
259.06201	6.0
267.02988	0.7
275.05664	5.5
285.04111	67.9
286.04428	5.3
303.05173	11.3
303.08746	1.1
303.14050	0.6
304.05435	1.3
322.02423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1667
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.36467	0.2
55.82540	0.2
59.96599	0.3
60.97404	0.9
64.73610	0.1
70.45512	0.6
74.98983	0.6
77.16837	0.1
83.38794	0.1
83.94318	0.2
87.60303	0.2
91.02077	0.2
118.96209	0.4
134.98363	0.3
134.99335	4.6
135.00369	0.3
136.97281	2.0
141.07336	0.3
143.05219	0.2
149.33324	0.2
150.98799	0.4
152.96782	0.2
159.08437	1.4
161.06345	5.9
163.26187	0.2
201.04063	0.6
202.04738	0.1
203.05629	3.1
205.03531	0.8
215.05641	0.9
217.07210	80.5
218.07341	5.2
221.26918	0.2
222.64348	0.2
235.08331	0.5
261.06271	0.6
265.51678	0.2
283.12003	0.4
283.15549	0.2
285.13538	32.9
286.13715	3.1
301.16666	100.0
302.16882	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	301.1201
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
54.84495	0.5
59.01264	6.5
70.99333	1.3
70.99674	0.7
77.54504	0.5
86.77486	0.7
95.01300	0.7
100.61733	0.6
106.31370	0.6
110.02431	0.9
118.06549	2.3
119.04503	0.6
147.03194	1.6
148.03993	1.5
151.59680	0.6
160.03975	9.5
161.04767	75.4
162.05534	15.6
163.02638	0.6
163.96272	0.6
164.03459	7.6
175.02737	7.6
176.03490	2.8
192.03008	13.2
193.03772	66.9
194.04201	3.7
205.53291	0.6
208.02455	1.4
225.02734	0.7
228.10390	0.7
240.10280	1.7
253.06268	0.8
258.11584	0.7
266.92831	0.7
271.06409	1.1
271.10931	29.2
272.11197	1.4
283.10938	100.0
284.11264	8.3
301.03577	1.5
301.11984	36.9
301.17224	1.9
302.12271	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	301.109
Annotation	Sequirin C
Peak:m/z	Relative Intensity
59.01269	1.3
59.54532	0.6
65.03841	3.4
67.01776	0.9
68.89368	0.6
68.99706	1.0
69.13055	0.7
69.36429	2.4
69.36853	4.3
81.03321	1.2
82.44359	0.6
91.05425	10.5
93.03371	3.4
95.01279	1.0
95.04906	1.3
107.04929	1.0
108.02062	3.3
109.02862	20.7
109.03609	1.0
115.05498	0.9
117.07008	3.8
119.04855	0.9
119.89198	0.7
121.02867	11.5
121.06512	2.7
122.03654	1.0
123.00846	0.8
123.04421	3.7
125.02342	1.4
133.02882	100.0
134.03683	23.3
135.04449	48.4
136.01604	12.1
136.04793	1.8
137.02342	0.9
138.03139	0.9
139.03969	1.1
145.02895	0.9
146.03540	0.8
147.04477	3.4
149.02388	2.9
149.06058	1.2
151.00359	0.6
151.03915	2.1
153.05544	1.4
159.04524	1.9
161.02382	3.7
161.06044	6.7
170.43776	0.6
175.04001	1.3
179.07101	8.5
183.04398	1.5
197.06050	2.0
198.06850	8.5
199.07599	1.1
209.06079	2.6
211.07683	1.2
213.09273	5.5
215.03505	0.8
215.07211	0.8
223.07532	4.0
224.08444	3.8
225.05614	1.9
239.07042	2.1
239.10811	3.3
241.05058	1.9
241.08720	1.5
250.06409	6.7
251.07176	5.5
253.05077	4.6
257.08194	0.8
265.08774	2.7
267.06705	7.1
268.07455	14.9
269.07840	1.1
271.09848	2.2
283.09811	81.0
283.60452	0.7
284.10123	5.3
285.07831	1.5
301.03668	2.4
301.07251	15.5
301.10901	8.7
301.17212	1.0
301.20313	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	301.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
62.53072	0.4
63.45031	0.4
65.03847	2.3
67.01788	0.9
69.03350	0.8
71.47753	0.5
79.05438	0.8
80.02576	0.5
81.03350	0.6
91.05434	7.5
93.03354	1.9
95.04901	0.4
97.02860	2.7
98.16692	0.4
99.81079	0.3
105.07016	1.5
107.04960	1.9
108.02074	6.5
109.02863	21.4
110.03187	0.5
117.06985	0.7
119.04925	1.2
121.02870	17.5
121.06504	0.6
122.03683	7.4
123.04448	6.9
133.02858	1.5
134.03641	1.4
135.04446	58.1
136.04927	1.3
137.05981	0.8
146.03642	0.8
147.04453	19.0
148.01645	0.7
148.05154	1.3
149.02400	1.1
149.06017	12.7
151.03960	0.9
153.05519	15.2
154.06012	0.4
159.04454	1.1
161.06029	16.3
162.06815	11.6
163.07246	0.7
165.05519	14.9
165.06883	0.9
166.05882	0.6
167.07103	0.6
170.07391	0.4
172.57150	0.4
173.06029	6.9
174.06805	1.5
174.85265	0.4
175.04004	0.5
176.01123	0.7
177.05516	0.9
179.07095	43.5
180.07483	2.0
185.05936	0.4
185.09671	0.5
187.07564	0.4
189.05466	0.4
191.03412	1.3
191.07104	7.5
192.07866	1.3
199.03932	0.6
203.07120	1.1
203.10715	0.6
209.11801	1.7
211.07561	0.7
212.08405	0.6
213.09163	0.5
215.06941	0.8
215.10786	0.6
217.08755	0.4
225.09311	0.4
227.10815	1.7
229.08652	0.5
231.10368	0.6
233.11954	0.6
238.06396	1.0
239.10788	0.4
241.04997	0.5
241.08646	0.9
253.08693	1.6
255.10046	0.5
256.07434	1.5
257.11856	0.8
259.09747	1.0
265.08789	0.9
271.09753	2.3
283.09821	6.7
284.10266	0.5
286.08331	0.9
301.10861	100.0
302.08014	0.6
302.11224	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	301.0361
Annotation	Paeciloquinone C
Peak:m/z	Relative Intensity
53.93401	0.6
54.75306	0.6
55.96833	0.6
57.03325	1.5
59.01245	1.5
63.02280	5.4
65.00206	4.5
67.33097	0.6
69.00922	0.5
70.59076	1.8
72.95641	0.6
83.01279	4.5
83.04906	1.0
91.01802	1.0
93.54095	0.6
107.01293	8.1
108.02084	0.6
109.02853	3.1
110.68704	0.6
119.01287	3.4
121.02862	1.8
123.00765	0.7
124.01558	2.8
125.02364	3.9
133.02861	1.4
135.00807	1.7
135.04443	1.4
136.01598	1.6
137.02354	1.0
139.00362	0.8
139.03966	1.4
143.04890	1.2
145.02861	2.3
147.00780	0.7
147.04402	1.3
148.01578	4.3
149.02382	7.9
151.00307	18.2
151.01524	1.0
151.03940	0.8
153.01875	1.2
155.04938	1.6
159.04416	2.8
161.02353	2.8
163.00290	1.7
163.03989	0.8
164.01112	0.7
165.01863	0.8
167.04941	2.2
169.01360	1.1
171.04457	1.6
173.02408	1.8
182.03711	0.9
183.04466	6.6
185.02422	1.5
185.05995	0.9
187.03967	4.6
189.05586	1.2
195.04485	1.2
199.03999	1.4
203.03677	0.6
209.11813	10.7
211.03984	9.2
213.01964	1.7
213.05594	1.7
215.03561	4.4
227.03506	6.5
227.12863	1.0
229.05052	1.6
239.03522	4.0
243.02934	0.8
245.04590	0.8
255.03024	89.4
256.03391	5.1
257.04593	7.8
271.02280	0.8
272.03366	1.0
283.02542	100.0
284.02829	6.2
300.16772	1.2
301.03607	86.0
301.06912	3.4
301.10904	2.1
301.16864	1.2
302.03967	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	301.1087
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
59.01263	3.0
61.98704	0.5
63.18276	0.5
65.01022	0.4
65.03855	2.6
65.31539	0.5
67.01772	0.9
70.11787	2.2
71.03441	0.5
78.95802	3.1
83.30638	0.4
91.05428	14.2
93.03377	2.4
95.01259	0.8
99.29568	0.4
105.29811	0.5
108.02062	2.5
109.02859	27.8
110.03178	0.6
111.00768	0.8
119.04995	1.0
121.02868	7.1
123.00807	1.1
123.04403	0.9
124.01598	1.4
133.02917	0.9
135.04445	100.0
136.01585	0.8
136.04808	2.6
137.02344	2.3
138.03145	7.7
139.03922	1.6
145.02914	0.8
146.03194	1.0
147.03308	1.0
147.04454	15.5
148.04768	0.6
149.02373	5.6
151.00272	0.6
151.03917	2.3
152.04735	1.2
153.05499	10.9
159.04446	0.5
161.02376	0.6
161.05997	0.7
162.03134	1.2
163.03926	1.4
164.04736	7.2
167.07129	0.7
177.05603	1.6
179.07108	10.7
183.13835	1.2
199.07632	1.1
203.07182	0.6
209.06047	0.9
210.06859	1.8
211.03960	0.6
212.04849	2.6
213.05508	1.2
217.06999	0.5
224.18440	0.5
225.05605	1.2
225.09242	0.7
226.06444	0.7
227.07161	5.2
227.12833	0.8
229.05003	1.6
233.11803	1.2
243.06709	0.7
253.05078	1.9
254.05933	4.8
255.06650	2.3
256.03720	1.8
259.09555	0.6
268.07520	1.0
269.08228	9.5
271.06152	4.8
283.09750	0.9
285.07788	0.8
286.08524	1.3
301.10873	77.1
301.17038	2.3
301.23904	1.0
302.11185	5.5
314.13593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0361
Annotation	Bracteatin
Peak:m/z	Relative Intensity
52.80335	0.5
53.56326	0.5
57.03336	8.3
59.01264	1.3
63.02281	4.3
65.00205	10.3
65.37472	0.5
67.01778	0.6
68.99702	0.7
69.75893	3.5
78.98082	0.5
80.02551	0.8
81.03355	1.3
81.86235	0.5
83.01276	12.2
93.03352	1.9
95.01276	3.0
98.19855	0.6
99.00794	1.2
103.31498	0.5
105.03354	0.8
107.01296	13.2
108.02142	2.8
109.02875	3.1
109.95945	0.6
111.00792	16.6
119.01293	0.8
119.04964	1.3
120.33527	0.5
121.02877	5.4
123.00813	6.6
124.01588	1.3
125.02369	50.6
126.02702	0.7
129.54216	0.6
133.02852	3.0
135.00815	2.0
135.04471	1.5
136.01605	1.3
137.02364	1.6
139.00298	19.0
139.03925	0.8
143.04953	2.1
145.02913	2.0
147.04442	1.3
148.01591	2.2
149.02383	20.7
149.03574	1.3
150.02721	1.0
151.00308	27.9
151.62646	0.6
152.00758	0.7
156.05704	0.7
157.06526	0.9
159.04492	4.7
161.02419	2.3
161.05989	1.8
163.00313	17.4
163.03957	2.8
164.00957	1.7
165.01921	1.3
167.05031	0.7
169.01393	2.0
171.04434	1.2
173.02371	1.3
175.00452	0.6
175.15727	0.6
176.01122	4.2
177.01862	7.3
183.04459	1.7
185.02380	1.2
185.06044	3.0
187.03987	4.4
189.01868	1.1
189.05554	0.9
190.02620	0.8
191.03488	6.3
192.00601	7.7
193.01385	1.8
201.01939	0.6
201.05556	3.3
202.10510	0.6
203.03502	3.8
205.05057	1.8
211.04062	3.0
213.05634	1.7
214.02641	1.8
215.03511	9.3
217.01414	2.0
217.04927	0.6
227.03484	2.5
229.05061	7.5
230.02267	1.4
231.03009	11.7
233.04550	5.2
234.04939	0.6
239.03473	2.0
245.04593	1.6
251.13741	0.6
255.03020	7.6
256.03305	0.7
256.11276	0.7
257.04578	9.4
258.01852	0.8
259.02499	6.5
271.02591	0.7
272.03326	1.0
273.04099	6.5
283.02533	8.8
301.03604	100.0
301.17053	1.4
302.04004	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	299.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01604	0.9
67.90624	0.8
69.46718	6.2
70.61379	0.8
71.01254	1.0
87.00742	0.9
93.03376	1.4
95.36933	0.9
98.20578	1.6
108.53278	0.7
117.03371	7.2
118.10346	0.8
119.04936	1.8
121.02859	2.7
123.04385	0.9
130.08687	1.2
133.02931	1.6
137.02356	2.5
145.02893	38.6
146.03247	1.6
151.07584	0.9
160.03961	1.8
162.03221	0.9
163.03896	1.4
183.11464	0.9
198.08557	0.9
211.14565	1.5
299.02322	1.0
299.05582	8.8
299.16617	66.7
300.16809	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	300.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10821	0.5
54.57483	0.6
59.01257	2.3
67.50351	0.5
68.01308	0.7
71.01287	0.5
71.17702	0.8
76.71787	0.6
93.03373	1.6
94.03672	1.4
104.12466	0.6
117.03413	0.7
122.02442	1.2
123.03187	13.3
137.02357	2.7
137.04762	0.7
138.02745	3.2
138.05540	100.0
139.05876	2.9
145.02863	4.4
146.03157	3.0
146.38945	0.6
175.36826	0.5
180.06660	2.5
300.07721	0.7
300.11032	8.3
300.16870	13.1
301.11227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15511	0.3
56.48698	0.3
59.01263	2.6
59.62468	0.3
68.01297	2.7
69.72591	0.5
69.72998	1.8
71.01259	1.7
72.99210	0.6
83.11063	0.3
88.03938	3.8
96.04452	0.4
98.19853	0.6
109.01698	0.4
115.00276	1.2
117.03407	0.6
121.02893	0.7
122.02406	0.5
123.03169	6.0
123.04440	0.9
124.07597	0.7
132.02948	8.3
136.07607	0.5
137.04773	0.9
138.05536	100.0
139.05885	2.7
145.02876	2.9
146.03227	2.1
149.02321	1.7
149.67500	0.3
152.03433	0.4
152.07101	1.7
166.04984	0.4
166.08601	0.6
167.05852	2.4
168.06564	0.7
180.06613	4.9
192.43143	0.3
210.07686	0.6
250.07253	1.1
300.06323	1.3
300.10941	16.3
300.16788	7.5
301.11267	1.1
301.16870	0.4
309.28033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0779
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
56.30636	0.3
59.01271	1.8
71.01276	1.8
71.08532	0.5
71.08862	0.5
72.99201	0.4
73.02827	0.7
85.02856	1.1
93.03358	45.3
94.03698	1.6
101.02343	1.0
113.02358	0.8
117.03373	3.5
119.04925	1.1
121.02882	1.2
123.03177	1.3
123.04506	0.6
137.02376	100.0
138.02721	3.4
138.05534	16.6
145.02885	18.7
146.03175	0.7
161.04596	0.6
299.07938	0.9
299.16586	29.1
300.07657	0.5
300.10977	1.3
300.16940	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0932
Annotation	7-Hydroxy-3',4'-dimethoxyisoflavanone
Peak:m/z	Relative Intensity
53.94375	0.6
59.01263	1.9
65.03852	4.3
67.01775	1.0
71.07496	1.2
72.62478	0.6
72.95767	0.6
80.94043	0.5
91.01791	17.7
91.05425	13.6
91.76179	0.5
93.03362	3.7
93.03853	0.6
104.02605	0.9
108.02084	2.1
109.02863	45.9
110.03231	1.2
117.02686	0.6
117.03343	3.6
119.04925	1.7
121.02871	7.5
133.02881	3.4
134.03671	3.7
135.00819	19.7
135.04446	97.9
136.01552	0.8
136.04802	3.4
145.02888	18.6
147.04463	3.7
148.01599	5.6
149.02399	4.0
150.03125	1.6
151.03937	6.6
153.01874	9.6
158.03667	1.3
161.02393	1.5
162.03180	16.6
163.00331	1.4
163.03783	0.7
172.05269	0.7
174.03127	1.0
175.03938	2.3
177.05530	53.9
178.05896	1.5
182.02185	1.5
183.04425	1.1
184.05122	0.7
185.02409	1.0
187.03987	3.8
187.05489	0.9
190.99701	0.9
197.05956	1.5
198.03217	0.7
199.03917	0.8
200.04793	2.1
211.03949	5.0
212.04675	2.5
213.01851	1.6
213.05551	1.2
214.02730	3.5
214.06479	0.9
215.03444	1.9
217.00322	1.7
227.03531	5.7
228.04230	2.5
238.06358	0.7
239.03545	2.9
240.04326	8.0
241.04938	2.0
242.05948	0.8
255.00584	1.0
255.03061	12.7
255.06746	1.0
256.03787	5.4
266.05801	0.9
269.04550	2.3
271.09454	0.7
281.08157	1.0
283.02399	1.9
284.03333	53.7
285.03540	4.1
294.50146	0.7
299.05594	95.5
299.09244	100.0
299.16525	32.2
300.05920	8.2
300.09576	8.1
300.16910	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	299.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76847	0.2
53.79174	0.2
59.01242	0.9
61.98718	0.2
63.02286	0.3
63.86946	0.2
65.00214	0.4
69.29414	0.4
69.29815	1.7
71.47964	0.2
77.14403	0.2
79.53246	0.2
83.01292	0.2
91.01773	0.7
107.01279	0.8
108.02114	0.2
111.15794	0.2
117.03379	1.6
119.04905	0.6
121.02853	0.4
123.04459	0.2
132.02039	0.2
135.00822	1.4
136.01616	0.3
137.02330	0.4
145.02890	8.0
148.01590	5.8
150.03142	0.5
151.00345	1.1
153.01849	0.7
158.03680	0.7
162.03107	0.2
163.00262	0.3
163.03970	0.4
170.03653	0.3
172.05287	0.4
176.01064	1.2
183.04469	1.0
184.05211	0.5
185.02318	0.2
195.04498	0.6
196.05232	0.3
199.03960	1.4
200.04826	2.0
203.03386	0.2
210.03305	0.3
211.03992	3.8
212.04771	2.3
213.02170	0.2
214.02695	0.6
216.04295	0.2
223.03934	1.0
227.03502	9.0
228.04182	1.5
239.03545	3.3
240.04221	1.5
242.02179	0.5
243.03046	0.3
255.03008	7.6
256.03763	3.8
257.04092	0.2
267.03040	1.5
269.09216	0.3
281.04657	0.3
283.02545	7.2
284.03314	91.8
285.00552	0.4
285.03635	5.8
299.05664	100.0
299.16559	14.8
300.05981	6.6
300.16919	0.9
305.42426	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93492	0.3
55.94432	0.3
58.25367	0.3
59.01267	1.8
65.00205	0.4
71.56707	0.4
79.45333	0.3
83.01226	0.3
87.98704	0.3
91.01776	1.0
95.01231	0.3
97.02844	0.6
98.67825	0.3
100.44731	0.3
100.46746	0.3
107.01292	0.7
108.02059	0.7
109.02832	0.4
115.48215	0.4
117.03379	2.1
119.04962	0.6
121.02836	1.0
123.04454	0.5
125.48622	0.3
128.98508	0.4
133.02840	0.9
135.00790	2.6
136.01512	0.3
137.02350	0.4
145.02885	12.4
146.03275	0.6
148.01598	6.1
150.03133	1.1
151.00296	1.1
153.01851	0.9
157.02841	0.3
158.03642	1.4
159.04370	0.4
163.00218	0.5
165.01868	0.7
172.05296	0.6
176.01094	1.5
183.04462	1.3
184.05238	0.8
186.03111	0.6
187.03970	1.5
188.04807	0.5
195.04529	1.0
196.05304	0.5
198.03178	0.5
199.03960	2.4
200.04747	2.6
211.03964	4.0
212.04784	2.8
213.01886	0.4
213.05409	0.4
214.02695	1.3
215.03444	1.0
216.04259	0.8
223.04065	1.2
227.03490	10.7
228.04156	2.6
231.06688	0.6
239.03523	4.5
240.04279	3.7
242.02284	0.4
249.07350	0.4
255.03017	8.8
256.03726	5.3
267.02966	1.9
283.02509	7.1
284.03314	100.0
285.03659	6.1
299.05667	94.6
299.16580	19.6
300.06012	6.4
300.16879	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	299.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93959	0.4
59.01077	0.7
59.01374	0.7
65.03981	1.4
67.01888	0.5
70.61774	1.1
87.54273	0.4
90.85307	0.3
91.01315	2.8
91.01952	16.9
91.04974	0.6
91.05592	4.8
92.02248	0.6
93.02989	0.4
93.03501	1.1
100.02390	0.4
104.02715	0.7
108.02241	1.3
109.02200	1.6
109.03024	16.2
110.03328	0.4
117.03539	2.5
119.05069	0.9
121.03030	3.7
123.00910	0.6
123.04585	0.6
128.06084	0.4
133.02995	0.9
134.03816	1.2
134.99875	1.1
135.00807	17.9
135.03490	1.6
135.04443	35.5
136.04948	0.7
145.01840	0.8
145.02876	13.8
147.04515	0.7
148.01599	6.1
149.02512	1.7
150.03267	0.6
151.03937	2.5
153.01874	9.2
158.03822	1.5
159.04575	0.5
161.02548	1.2
162.03157	6.5
163.00479	1.1
163.03990	0.6
164.01021	0.4
171.04562	0.5
172.05418	1.2
173.02525	0.5
175.04103	1.5
176.01199	0.4
177.05531	20.8
178.05951	0.4
183.04570	1.3
184.05273	0.7
185.02477	0.8
186.03197	0.7
187.03958	4.5
188.04787	0.6
189.02003	0.6
189.05623	0.4
196.79568	0.4
197.06033	0.5
198.03366	1.2
199.04123	1.2
200.04794	3.2
211.04001	3.9
212.04785	2.4
213.01904	2.0
214.02722	4.2
214.04375	0.4
215.03479	2.1
216.00755	0.5
216.04390	0.6
217.00320	0.5
223.04047	0.7
225.05670	0.4
227.03487	6.5
227.05481	0.6
228.04312	1.6
239.03479	3.5
240.04311	7.4
241.04964	0.8
255.03014	12.7
256.03751	4.9
269.04581	1.2
271.09714	0.5
281.08365	0.5
283.02509	1.4
283.05850	0.6
284.03311	54.1
285.03632	3.6
299.05609	100.0
299.09238	38.1
299.16537	22.5
300.02533	0.4
300.05954	7.2
300.09573	2.5
300.16904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50448	0.5
53.80975	0.4
59.01268	1.4
60.59835	0.5
63.84127	0.4
63.94120	0.4
69.34691	4.4
91.01805	3.1
91.02322	0.5
100.10333	0.5
108.02064	0.9
117.03385	4.3
119.04967	0.7
121.02859	1.4
135.00812	7.6
137.02402	0.6
145.02888	18.6
146.03270	0.6
148.01596	4.4
151.00302	0.7
153.01884	3.3
155.60863	0.5
156.63194	0.5
161.02444	0.6
167.05058	0.6
172.05222	0.7
174.03104	0.6
176.01096	0.6
183.04474	1.7
184.05257	0.7
185.02538	0.5
187.03955	2.2
195.04559	0.9
196.62798	0.5
199.04015	2.9
200.04776	5.2
201.01909	0.5
203.64526	0.5
207.10298	0.5
211.03981	5.9
212.04749	4.1
213.01929	0.7
214.02745	2.3
215.03577	0.6
216.04103	0.8
223.03964	1.1
225.11334	1.4
227.03511	12.0
228.04173	2.5
239.03551	3.6
240.04254	3.2
242.02083	0.5
255.03018	7.9
256.03784	3.8
267.03012	1.4
277.23322	0.5
283.02588	5.1
284.03320	100.0
285.03674	6.2
299.05664	95.7
299.16553	31.6
300.06030	6.8
300.16922	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	299.0567
Annotation	Koparin
Peak:m/z	Relative Intensity
53.11900	0.2
59.01241	0.2
63.02279	0.4
64.18626	0.2
65.00220	0.5
68.87304	0.2
70.69778	0.4
70.70110	0.2
83.01260	0.2
88.02990	0.2
91.01764	0.6
96.48189	0.2
107.01283	0.9
108.02093	0.3
117.03347	0.3
134.03627	0.2
135.00806	1.7
136.01593	0.3
145.02890	2.7
146.03548	0.2
148.01587	5.4
150.03108	0.9
151.00316	1.5
153.01830	0.6
155.04956	0.2
158.03670	1.1
170.03709	0.4
172.05199	0.5
176.01086	1.1
183.04495	1.3
184.05284	0.4
186.03238	0.2
187.03894	0.3
188.04730	0.3
194.03793	0.2
195.04457	0.6
196.05220	0.4
199.04015	1.8
200.04793	1.9
211.04012	3.4
212.04736	2.2
214.02699	0.7
215.03523	0.5
216.04301	0.4
223.04045	0.9
227.03500	9.6
228.04225	1.9
239.03510	3.3
240.04202	1.3
242.02208	0.8
243.02850	0.2
255.03017	7.7
256.03802	5.8
267.03006	1.5
283.02524	7.0
283.05640	0.4
284.03314	100.0
285.03677	6.1
299.05658	96.0
299.16559	4.2
300.05991	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	299.0566
Annotation	2-Hydroxymaackiain
Peak:m/z	Relative Intensity
57.03335	0.9
58.63297	0.5
59.01259	3.2
60.46967	0.6
61.98694	0.9
63.02280	1.4
65.03861	1.0
67.01785	1.0
69.32726	6.1
73.02835	0.6
73.78655	0.5
83.01305	0.6
83.04927	0.8
85.02840	1.0
93.03366	2.2
101.02355	0.8
107.01295	1.3
108.02082	1.5
109.02869	5.3
114.41072	0.7
117.03375	11.9
119.01300	0.8
119.04935	5.3
121.02872	4.1
122.03651	0.8
123.04429	2.2
133.02888	3.4
135.00810	2.4
135.04454	2.4
137.02406	2.9
137.06035	1.0
143.07065	0.6
145.02892	40.6
146.03217	1.3
147.04503	2.9
149.02472	1.0
149.06052	0.8
151.00308	0.6
159.04448	2.8
161.02386	3.8
162.03178	1.4
163.00322	19.8
163.03976	2.5
163.11195	0.7
171.04440	1.4
172.05051	0.8
177.05617	1.2
181.06599	1.2
183.10255	1.1
188.25307	0.6
197.06134	0.9
199.03995	0.9
207.10257	3.2
208.05234	0.7
209.06000	1.9
209.25606	0.6
212.04784	1.0
213.09164	0.7
225.05585	2.6
225.09180	1.7
225.11346	4.5
227.03542	0.8
237.05618	1.3
240.04326	0.9
241.08682	0.7
251.07190	1.5
253.05171	3.0
254.05893	4.0
255.03032	0.9
255.06371	0.8
263.07205	0.8
266.05832	1.3
269.04633	7.0
269.08243	8.6
270.08725	0.7
281.04654	100.0
281.08160	15.8
282.04965	5.7
282.08047	0.9
284.03351	4.3
284.06439	1.1
298.24777	1.1
299.02295	2.1
299.05664	64.9
299.09320	46.1
299.16483	68.1
299.25937	2.5
300.06006	4.9
300.09561	1.7
300.16696	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	299.0204
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01241	1.4
63.02265	1.5
65.00214	3.6
70.67857	1.3
71.12757	0.5
83.01286	2.5
91.01770	1.0
93.03330	0.6
107.01300	4.3
109.02869	0.6
113.18628	0.4
115.05428	0.6
117.03384	2.9
119.04919	2.4
121.02834	1.0
123.00808	0.5
123.04325	0.4
131.04974	0.9
133.02878	1.4
134.99846	0.7
135.00789	6.8
135.04414	1.2
137.02351	3.4
143.04948	1.9
145.02882	14.2
147.04436	0.9
148.01688	0.5
149.02367	3.2
149.05965	0.8
151.00316	9.4
155.04991	2.2
157.02867	1.4
158.76175	0.5
159.04404	2.8
161.02399	3.4
161.06018	0.6
163.03891	1.7
169.01424	0.5
169.02858	0.5
171.04466	3.0
172.53761	0.4
173.02405	1.0
175.03978	2.3
177.05399	0.6
182.03636	0.6
183.04454	3.4
185.02399	1.7
187.03955	1.9
189.01895	1.0
197.02443	0.6
199.03944	6.3
200.04460	0.4
201.01924	3.8
202.02625	0.4
203.03465	6.2
207.10287	1.0
211.04015	0.6
213.01918	1.0
214.02728	1.4
215.03490	2.8
216.04181	0.6
225.01833	0.6
225.11188	0.8
226.02505	0.6
227.03500	9.0
228.03955	1.0
229.01404	1.7
230.02281	0.6
231.03018	5.2
232.03732	3.9
242.02252	0.6
243.00502	0.9
243.03003	18.1
244.03442	1.6
253.01512	0.8
255.03038	2.0
256.03687	0.8
271.02530	99.6
272.02899	7.2
284.03317	1.2
299.02032	100.0
299.09299	2.5
299.16565	20.5
300.02628	18.0
300.16977	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	297.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.2
57.03337	2.9
58.00469	2.1
59.01263	100.0
69.03345	2.4
71.01268	47.2
72.99200	24.6
73.02847	7.1
75.00770	6.6
81.91943	1.1
83.01297	3.7
85.02841	14.4
85.98979	1.3
87.00769	3.5
89.02339	37.6
93.85150	1.4
95.01292	4.5
97.02840	1.9
99.00814	2.8
101.02339	24.2
105.01880	1.8
109.02875	1.6
113.02356	16.9
117.01855	1.3
119.03401	14.0
119.71703	1.3
120.47678	1.3
125.02383	3.8
133.01360	5.5
135.06564	13.3
143.03426	6.4
155.03403	3.3
159.02916	1.9
161.04506	9.0
166.27930	1.5
171.02895	2.3
173.04509	7.2
179.05615	6.6
189.03995	4.7
207.05109	13.3
237.06320	1.6
237.09871	13.3
297.08356	30.4
297.11987	26.9
297.24417	3.1
298.08914	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	297.2441
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
54.51044	0.3
55.55125	0.4
57.03343	0.5
59.01265	18.3
60.72814	0.4
69.87811	1.4
69.88219	0.7
71.01270	3.8
73.02839	1.1
81.70246	0.4
81.91586	0.3
85.02840	1.5
86.66785	0.4
89.02345	2.2
101.02345	3.3
106.04164	0.5
113.02361	1.0
117.03413	0.4
119.03397	1.2
135.04491	0.6
135.06543	1.5
143.03499	0.4
145.02826	0.7
155.10727	0.8
161.04454	2.3
162.03247	0.4
171.10229	1.3
179.05568	1.0
183.01190	2.7
237.00420	0.4
237.09840	3.5
238.06006	0.7
279.23410	1.8
282.10925	0.7
297.12024	2.6
297.15302	5.5
297.24420	100.0
298.14822	1.5
298.24762	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	297.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77994	0.6
55.01779	1.5
57.03328	1.5
58.00491	1.9
59.01265	100.0
68.48504	0.6
69.03340	2.5
70.94089	1.5
71.01272	54.2
71.42660	0.6
72.99199	31.0
73.02828	5.3
75.00767	8.8
78.95782	0.7
81.03356	1.2
83.01275	3.9
83.04912	0.9
84.02060	0.8
85.02843	15.8
87.00793	2.5
89.02342	34.5
95.01270	6.5
97.02856	3.7
99.00789	4.1
99.04439	0.7
101.02344	22.5
103.00253	0.9
103.03946	1.2
105.01862	2.2
109.02892	1.5
111.00823	0.7
113.02360	19.9
115.00298	0.9
115.03915	1.5
117.01828	1.5
119.03419	11.4
125.02372	4.8
125.50079	0.6
127.03937	2.4
131.03476	0.9
133.01370	8.4
135.06570	9.4
137.02390	0.9
139.03947	1.3
143.03442	6.4
148.07584	0.6
149.04524	0.9
155.03473	2.5
159.03000	1.4
161.04500	10.2
167.03488	1.4
169.05144	0.6
171.03015	1.7
173.04512	10.6
173.05855	1.0
179.05576	6.4
189.04016	8.4
193.03697	1.4
195.43327	0.6
205.03525	1.1
207.05083	21.8
218.01317	0.6
237.06200	2.0
237.09810	16.9
237.12033	1.0
247.04640	1.4
261.06320	0.7
297.08426	32.9
297.12067	20.6
297.24432	3.6
298.08829	1.9
298.12234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.8
57.03338	3.4
58.00476	3.3
59.01264	100.0
60.48619	1.4
68.69083	1.3
69.03339	5.4
71.01266	80.1
71.50805	1.7
72.99198	66.6
73.02847	7.4
75.00759	15.5
81.03305	2.0
83.01264	6.3
85.02843	23.1
87.00784	5.4
87.04407	1.7
87.56812	1.5
88.03393	1.5
89.02335	38.9
95.01274	11.3
97.02837	8.8
99.00782	4.1
99.04412	3.1
101.02351	25.0
109.02857	3.7
111.00722	1.5
113.02359	28.1
115.03906	2.1
117.01841	2.2
119.03407	7.7
125.02342	8.4
127.03934	4.2
131.03398	2.4
132.50490	1.5
133.01349	16.8
135.06544	5.8
137.02385	2.8
139.03961	3.3
143.03448	10.1
155.03467	4.9
161.04509	10.6
167.03354	2.0
171.02977	3.7
173.04507	21.3
179.05571	4.0
189.04021	18.3
207.05089	42.3
208.05545	2.0
237.06145	3.8
237.09813	18.2
247.04608	2.4
297.08331	68.7
297.11951	17.8
297.24561	2.1
298.08804	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	297.0776
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
57.03334	0.4
59.01264	14.5
59.68744	0.3
61.12680	0.2
69.26190	0.8
69.26604	2.1
69.51532	0.3
71.01270	1.7
71.04911	0.3
73.02835	0.6
83.01285	0.3
85.02861	0.3
89.02352	0.9
101.02339	1.7
103.44682	0.3
107.42269	0.3
113.02396	0.7
117.03416	1.0
118.05656	0.3
119.03426	0.6
121.00056	0.2
121.02877	0.5
127.34067	0.2
132.02060	0.5
132.39320	0.3
133.02908	0.5
134.06038	0.4
143.04979	0.7
151.60832	0.3
155.05008	1.0
161.04477	1.6
167.04984	1.0
167.10774	0.3
183.04472	3.0
195.04494	5.2
210.03232	0.8
211.03987	8.6
212.04277	0.5
223.04002	3.9
223.13368	1.4
237.09805	4.1
238.02731	0.4
239.03514	30.6
240.03795	2.1
266.02267	0.3
267.03030	42.6
268.03397	2.6
282.05389	100.0
283.05753	5.7
293.31122	0.3
297.07736	38.8
297.24438	2.1
298.08054	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	297.0775
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
54.29589	0.3
59.01262	11.1
59.73255	0.2
69.29510	1.1
69.29932	2.1
71.01267	1.5
73.02876	0.3
85.02847	0.6
89.02327	0.9
98.19811	0.6
101.02352	1.6
109.02846	0.5
113.02306	0.8
117.03388	0.9
119.03313	0.3
121.02863	0.7
122.29327	0.3
132.02112	0.9
135.04454	0.4
143.04941	0.5
147.00803	0.5
148.01611	0.3
154.36473	0.3
155.04930	0.9
161.02361	1.0
161.04512	1.2
167.04982	1.0
170.03647	0.4
175.03937	0.4
182.03676	0.6
183.04448	3.3
193.71602	0.3
195.04466	5.2
197.02690	0.4
210.03227	1.0
211.04004	8.9
223.04039	4.5
226.02611	0.3
226.48868	0.3
237.09767	3.3
238.02766	0.7
239.03505	29.3
240.03870	1.6
254.02328	0.3
267.03027	43.4
268.03342	2.4
282.05383	100.0
283.05698	6.3
297.04187	3.6
297.07703	40.1
297.24402	3.2
298.05023	0.4
298.08096	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	297.0412
Annotation	2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
56.22046	0.4
59.01263	6.8
61.30669	0.4
61.98696	0.4
63.33212	0.4
65.00216	2.8
70.04948	2.0
70.63202	0.5
71.01256	1.1
83.01248	0.4
83.09016	0.5
85.02808	0.5
89.00212	0.9
91.01797	0.7
97.02845	1.9
101.02356	0.8
104.02565	0.8
113.02425	0.5
119.01310	2.9
119.03404	0.5
119.04941	0.9
121.02868	1.7
132.02220	0.5
133.02934	0.5
135.00800	0.6
142.04202	0.9
145.02869	0.7
148.01492	0.6
149.99530	0.7
154.04198	0.7
158.03706	0.5
165.01886	6.0
169.02869	1.3
170.03676	4.2
173.02258	0.9
182.03696	5.6
183.02785	0.6
183.04301	1.0
189.30276	0.4
197.02385	1.9
198.03212	20.1
199.03596	1.3
201.01843	0.6
210.03250	1.7
211.03889	0.8
215.82071	0.5
225.01947	4.0
225.05516	0.6
226.02730	32.9
227.03177	2.2
237.09779	1.2
241.05141	1.5
253.01421	0.9
254.02249	32.6
255.02734	2.9
269.04614	100.0
270.04929	6.1
282.01614	0.8
297.04111	80.7
297.24362	1.6
298.04626	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	297.0413
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
59.01263	15.2
59.54740	0.3
69.77018	1.3
71.01269	1.8
83.01250	0.4
85.02837	0.9
88.23573	0.3
89.02322	1.0
95.04047	0.3
96.30260	0.4
99.00776	0.4
101.02313	1.6
106.04095	0.4
108.02094	1.6
109.02876	0.5
113.02351	0.7
116.02604	0.4
117.03349	1.4
119.03434	0.4
121.02848	0.5
130.04160	3.0
132.02098	0.4
133.02872	0.4
135.04440	0.7
135.06561	0.4
141.03384	1.1
145.02840	1.8
154.04184	4.3
156.34209	0.4
158.03688	9.4
159.04060	0.3
160.01639	4.2
161.02415	5.1
161.04498	1.2
162.02829	0.4
163.00391	0.7
165.12910	0.3
169.02887	5.1
170.03653	1.3
173.02377	1.1
174.03174	0.6
175.03908	0.5
179.05661	0.4
182.03694	8.4
183.04120	0.8
185.02399	4.1
186.03163	1.7
187.00322	2.8
188.01111	0.4
190.02711	0.4
194.03624	0.5
197.02428	3.8
198.03195	17.6
199.03525	0.9
201.01852	0.4
202.02684	6.6
210.03212	1.5
213.01900	3.3
214.02644	1.2
225.01955	1.2
226.02718	36.1
227.03072	2.1
229.01418	1.5
230.02101	0.5
237.09811	3.7
238.02754	1.3
239.03343	0.4
242.02228	0.4
253.01436	1.1
254.02231	8.8
257.00995	0.6
258.01639	0.4
265.01465	3.7
281.00983	22.5
282.01740	48.8
283.02106	3.4
297.04102	100.0
297.24435	2.1
297.27493	0.5
298.04465	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	295.2285
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03318	0.7
59.01268	2.3
69.03328	0.4
70.19813	0.4
70.47113	0.4
70.57668	1.2
71.01270	0.4
88.90687	0.4
99.08068	0.7
125.09617	1.3
127.11293	0.5
141.12793	0.8
151.11198	0.7
171.10233	30.6
172.10623	0.7
183.07686	0.4
183.10194	1.8
189.97998	0.4
195.13861	2.6
259.20630	0.7
270.39771	0.4
277.21774	41.9
278.22070	3.4
295.22845	100.0
296.23193	6.7
305.22507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01047	1.4
59.01264	16.4
60.37113	1.6
71.01266	6.2
71.54447	3.3
72.99194	47.1
73.02833	3.1
75.00759	2.6
80.36738	1.4
85.02856	2.5
87.00778	11.5
99.00768	3.0
103.00280	6.1
106.04146	2.3
107.04948	8.4
110.02384	6.4
111.00739	1.8
116.04983	4.2
117.03358	3.8
119.04941	7.1
121.06506	2.9
123.04436	4.2
127.46976	1.5
130.06525	14.7
132.04460	4.2
133.02872	3.5
134.06094	2.9
135.04427	3.0
140.04971	5.8
143.04919	4.5
146.06035	5.3
147.04436	11.2
148.07576	4.4
149.05992	3.8
154.06596	2.3
156.04469	5.9
158.06006	2.2
161.06067	2.5
165.05515	8.4
170.06068	9.0
172.07632	3.8
174.05528	4.7
179.07040	2.3
184.03940	3.5
186.05524	3.7
188.07243	9.0
192.38635	1.8
204.06685	3.0
206.08191	11.5
216.06610	5.0
218.04553	3.7
220.06172	9.0
222.07710	4.0
234.07689	6.0
236.05623	2.7
237.05562	5.2
237.09703	4.0
238.06247	4.1
240.91353	1.7
266.08243	1.7
278.06711	11.7
281.10568	8.9
284.42596	1.6
296.07822	100.0
296.12643	9.8
297.08179	7.5
297.24442	4.4
297.65781	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	295.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46286	0.5
55.89765	0.5
57.03329	1.3
59.00996	0.7
59.01263	8.4
69.35334	3.9
71.01254	0.7
77.75974	0.5
79.63741	0.5
97.06441	0.6
97.26675	0.5
98.19801	0.9
99.08082	0.6
101.02353	0.7
102.15291	0.5
113.09650	2.4
138.44991	0.5
177.12712	0.6
178.94539	0.5
179.14409	1.2
183.13933	3.2
195.13882	21.9
196.14203	0.8
212.88574	0.5
235.08237	1.0
254.37697	0.5
277.21780	22.0
278.22165	1.1
281.10516	0.9
293.21402	0.7
295.22839	100.0
296.23154	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	295.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68776	0.5
57.03326	1.4
58.29759	0.5
59.01269	6.9
65.48572	0.5
69.13181	0.5
69.28524	5.6
97.06511	0.8
98.20589	1.1
99.08020	0.9
105.79319	0.6
111.53662	0.6
121.10165	0.6
125.09618	1.2
127.11196	0.6
155.14307	0.7
171.10223	41.0
172.10571	1.2
176.78302	0.6
183.10217	2.1
195.13927	2.0
213.18416	0.6
233.22881	0.6
277.21780	50.2
278.22101	4.4
281.10593	0.6
295.22839	100.0
296.12967	1.0
296.23181	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	295.2286
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
53.09312	0.6
53.70390	0.7
59.01265	14.4
69.03342	0.8
69.26271	2.2
69.26696	5.7
71.01269	1.7
83.04935	1.2
96.05352	0.7
99.28675	0.8
101.02370	1.2
111.08079	1.4
113.09619	2.9
119.04916	0.7
135.58243	0.9
139.07573	0.9
155.62108	0.9
157.08647	60.9
158.08983	1.5
161.04457	1.0
213.67946	0.7
218.29930	0.8
237.05656	1.2
238.06430	0.9
277.21780	55.7
278.22116	3.0
281.06888	1.0
281.10620	2.4
295.22845	100.0
296.12909	2.5
296.23160	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	295.2285
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03331	0.7
59.01263	3.3
64.49110	0.2
67.26653	0.2
70.04317	1.0
71.01266	0.5
83.04910	0.3
84.40824	0.2
85.02821	0.2
85.36199	0.2
94.15973	0.2
97.06464	0.4
99.08047	0.3
107.31846	0.2
113.09630	2.2
161.17921	0.2
177.12790	0.6
179.14409	1.2
181.12286	0.5
195.13875	16.2
196.14157	1.1
233.22845	0.4
251.23926	0.5
252.76094	0.2
259.20596	0.2
277.18469	0.9
277.21771	17.5
278.22223	1.1
279.45300	0.2
280.70117	0.2
281.10617	0.2
295.22833	100.0
296.13034	0.3
296.19754	0.4
296.23181	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	295.2285
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
56.25876	0.2
57.03349	0.3
59.01256	1.0
62.27129	0.2
67.34872	0.2
70.09149	1.2
72.78429	0.3
72.99186	0.4
76.76526	0.3
76.91610	0.3
77.41591	0.3
81.03365	0.3
83.04894	0.4
84.63660	0.2
89.98577	0.2
109.06488	0.6
116.16232	0.2
127.11221	1.2
139.11157	0.3
141.12782	8.0
155.14365	4.0
191.17903	0.4
247.20706	0.3
249.22252	9.5
250.22603	0.7
270.76193	0.3
277.21783	0.6
293.21475	0.4
295.22845	100.0
296.23181	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36585	0.6
52.92397	0.5
57.03341	5.2
58.17405	0.5
58.30414	0.6
59.01253	2.5
70.40687	2.1
73.90835	0.6
88.56026	0.6
98.20498	0.7
100.49920	0.6
113.09641	15.2
121.10158	3.8
139.11249	1.4
140.25958	0.5
167.10728	1.9
171.10228	9.6
177.12779	1.3
179.10739	1.0
184.32071	0.6
195.13893	2.5
198.33250	0.6
231.21304	1.1
235.17021	1.8
247.12993	0.6
249.22272	1.8
252.77545	0.6
275.20212	16.1
276.20627	0.9
277.67081	0.6
293.21304	100.0
294.21686	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58815	2.1
58.00481	2.9
59.01264	68.7
70.72212	6.2
71.01271	28.0
72.99179	3.6
73.02860	2.1
83.01281	3.9
85.02843	7.1
89.02339	34.8
95.01263	2.7
101.02351	25.9
113.02367	14.3
115.03884	1.7
119.03421	21.7
133.05048	3.0
143.03464	2.3
161.04465	4.5
179.05638	3.5
231.13603	2.3
237.05553	3.6
281.10745	4.6
295.10403	100.0
296.10519	3.4
296.13306	2.5
298.18491	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	295.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85978	0.8
57.03319	1.3
58.00483	1.8
59.01263	59.9
70.37057	2.8
71.01267	30.4
71.04884	2.5
72.99187	3.4
73.02832	2.3
75.00760	9.2
82.02876	1.1
83.01299	1.6
85.02848	6.4
87.00762	2.2
89.02336	39.4
89.77104	0.8
95.01284	3.2
101.02341	20.7
101.13226	0.9
103.00280	1.1
103.34409	0.8
113.02356	11.7
115.00289	2.8
115.03919	5.8
119.03409	16.1
131.03375	1.4
133.04993	3.8
161.04468	2.4
179.05576	3.4
206.32851	0.9
207.06683	1.0
235.08374	1.1
237.06166	3.9
251.07744	3.1
295.10400	100.0
296.10623	6.1
315.38199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.192
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
57.03344	6.8
59.01265	30.9
69.03342	4.6
69.35461	8.3
71.01250	2.9
71.04902	7.1
73.02849	2.1
77.41078	0.9
81.03362	1.1
83.04897	4.6
84.02036	1.0
85.02824	1.5
85.06483	4.0
87.04390	3.2
88.22174	1.0
89.02336	1.0
95.04913	3.3
96.95907	0.9
97.02850	6.8
97.06487	4.1
98.20527	1.6
101.02332	2.1
109.06496	4.6
111.04391	2.6
111.08068	2.9
121.10156	1.3
123.08072	1.1
127.07511	1.4
129.09032	1.0
137.09627	1.4
157.08649	2.7
161.04556	0.9
163.11220	1.3
165.09164	1.6
165.12753	4.9
167.10701	2.1
169.12250	1.1
175.14842	1.2
179.14362	1.4
181.12300	31.8
182.12619	1.6
191.10757	2.2
195.13884	5.4
207.13910	15.8
209.11766	7.3
215.17992	1.7
219.13913	2.0
221.15413	5.1
223.13336	1.9
225.14969	4.0
233.19109	3.9
235.08241	2.4
237.05582	1.7
237.15161	1.9
238.06303	1.3
251.16653	1.6
259.17084	4.0
262.99167	1.1
266.08139	1.0
277.18137	56.2
278.18533	3.8
281.10605	2.9
295.19193	100.0
296.13019	2.8
296.19522	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	293.2129
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.16121	0.5
59.01246	0.6
69.22888	6.9
91.90771	0.6
92.37340	0.6
115.34272	0.5
115.42190	0.6
121.64264	0.6
156.64725	0.6
171.10179	0.8
179.14290	0.9
195.13914	11.6
196.14430	1.2
205.12273	1.2
211.13330	1.0
222.62779	0.6
223.13405	11.4
224.14018	0.6
228.13699	1.7
237.29050	0.7
256.13196	4.6
275.20212	8.9
293.21301	100.0
294.21597	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04658	1.4
59.01255	5.1
70.84860	4.5
71.01270	1.8
71.04902	5.3
146.60263	1.5
159.04407	1.8
186.01266	1.4
211.82083	1.8
221.15445	2.7
223.17068	6.2
231.21268	3.5
235.17067	49.2
236.17412	3.1
241.04153	1.7
275.20242	51.8
276.20535	5.0
293.21295	100.0
294.21594	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35815	0.5
57.03336	0.9
59.01269	0.7
61.63710	0.4
70.47291	1.4
97.06503	1.0
123.08012	0.7
125.09654	4.0
126.83402	0.4
129.85168	0.5
141.12811	1.1
149.09644	1.5
171.10237	1.1
183.13916	0.8
185.11806	9.2
195.13860	0.5
197.11769	2.9
202.87933	0.5
210.83305	0.5
221.15462	1.0
223.13397	0.7
236.10527	0.8
249.22366	0.6
275.20209	2.2
293.21289	100.0
294.21652	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	293.2129
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03326	0.7
69.03344	0.3
70.38884	0.8
71.04905	0.3
71.31818	0.2
72.99196	0.6
83.04927	0.6
84.02061	0.2
85.06509	0.3
85.70992	0.3
95.04900	0.3
97.06490	0.3
99.08062	0.3
113.09634	0.4
117.02351	0.3
123.08085	0.4
125.09639	0.5
127.11234	0.3
139.11226	2.9
140.67308	0.3
142.27550	0.2
152.55109	0.2
153.12822	1.7
174.14462	0.2
191.18031	3.8
224.14214	0.6
229.19676	0.3
245.19058	0.4
247.20677	2.3
258.97510	0.3
274.14343	0.2
275.20422	0.5
283.12558	0.3
291.19528	0.6
293.21298	100.0
294.21631	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
59.01261	4.2
62.83476	0.6
66.23095	0.7
69.03359	1.1
70.57893	1.6
71.01263	1.4
87.75452	0.6
101.02267	0.6
123.08067	1.1
139.11227	1.6
151.11240	1.9
153.09189	0.6
156.04718	0.6
161.04494	0.6
169.12296	2.3
193.15982	0.9
197.11818	37.7
198.12160	1.8
220.14578	1.3
221.15437	2.4
231.21165	1.7
236.10588	1.8
253.03960	0.6
275.20212	25.3
276.20547	2.4
293.21283	100.0
294.21585	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	293.2129
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01250	3.4
60.73853	1.1
63.08418	1.1
66.36594	1.3
71.04361	3.2
88.20040	1.1
95.57584	1.2
95.77326	1.2
104.01687	1.4
121.09275	2.7
121.10149	43.9
122.10482	2.9
168.15688	1.1
171.10229	81.0
172.10548	3.1
185.11862	4.3
231.21243	6.0
275.20221	100.0
276.20496	7.1
293.21307	58.0
294.21619	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	293.125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81048	0.3
58.00468	1.0
59.01265	19.3
67.72517	0.3
70.94423	0.7
71.01268	9.2
71.66364	0.3
72.99207	1.4
73.02831	0.5
75.04736	0.3
83.01261	1.1
85.02839	2.8
85.06483	8.2
87.00791	1.0
89.02338	10.7
95.01288	0.7
101.02353	7.5
106.32936	0.3
113.02345	3.9
113.05978	2.0
115.07536	0.8
119.03432	5.1
127.07543	0.6
131.03444	0.5
131.07068	35.3
132.07397	0.8
144.02975	0.5
149.04576	0.4
161.04524	0.4
173.08148	1.1
176.66098	0.3
179.05569	0.9
204.06633	0.5
293.12494	100.0
294.06274	1.2
294.12814	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	293.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.6
57.03324	0.7
58.00478	1.2
59.01262	32.0
60.95092	0.3
71.00073	0.8
71.01266	16.4
72.99192	2.2
73.02808	0.7
75.00803	0.4
83.01286	1.7
85.02845	4.5
85.06479	13.6
85.99988	0.3
86.06790	0.4
87.00761	1.7
89.02335	16.2
95.01259	1.5
99.00798	0.5
101.02344	12.1
105.92482	0.3
109.60876	0.3
113.02356	6.1
113.06010	2.5
115.07571	1.9
119.03423	5.8
127.07583	1.4
131.07068	52.2
132.07372	1.6
143.03441	0.5
161.04485	0.5
173.08131	1.5
179.05550	0.6
204.06606	0.8
216.22638	0.3
293.12482	100.0
294.06274	1.5
294.12827	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	293.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01218	0.3
70.34464	0.4
70.34858	0.5
71.01267	7.7
81.32697	0.3
81.65250	0.3
82.81031	0.2
83.62014	0.3
83.98754	0.2
127.07549	0.6
144.57222	0.3
148.05211	0.8
151.07562	0.4
164.08371	0.8
177.09172	4.6
190.09978	0.4
191.10692	0.3
192.11513	6.8
193.12076	0.4
201.71043	0.3
205.12318	6.8
206.12598	0.5
207.13879	1.2
217.08733	0.5
218.09370	1.7
220.14684	47.3
221.15457	100.0
222.15775	6.7
235.13429	1.2
236.10550	71.3
237.10934	5.1
244.73811	0.2
253.14619	0.3
290.77191	0.2
293.17691	11.9
293.21149	1.0
294.17932	1.1
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
63.32154	0.8
71.51668	1.6
92.49163	0.9
111.42670	0.8
118.49973	1.0
118.98460	1.0
159.93803	1.0
219.21207	4.8
255.94293	0.9
263.20224	3.1
280.97037	1.0
291.19733	100.0
292.20068	9.5
296.51804	1.1
306.40234	1.2
311.47556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2338
Annotation	Grevillol
Peak:m/z	Relative Intensity
55.30186	1.2
59.01254	1.5
61.94067	1.1
67.33939	1.3
68.28048	1.3
71.03150	3.5
74.44119	1.0
76.10628	1.2
77.41567	1.1
85.00990	1.4
118.26466	1.3
123.43286	1.2
133.23839	1.1
190.07063	1.4
197.88614	1.1
209.01369	1.6
239.04721	1.2
289.21884	1.5
291.09149	21.5
291.20187	4.3
291.23364	100.0
292.09299	2.3
292.23718	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	293.0886
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
59.01263	77.3
61.98705	2.9
69.03337	6.0
69.44500	24.0
71.01268	89.2
72.99196	4.7
73.02835	46.2
79.95634	7.0
81.03358	5.7
83.01277	6.0
85.02843	22.2
87.00801	4.1
89.02337	100.0
89.24877	2.6
90.07093	2.7
95.01274	7.0
96.95892	4.1
97.02847	24.8
99.00777	50.6
101.02341	65.6
113.02357	6.4
115.03905	18.0
122.96397	2.8
125.02370	54.3
125.20283	2.7
131.03392	15.0
143.03452	10.8
149.02370	3.0
149.04530	24.6
161.04492	5.9
191.05577	21.5
207.06978	5.9
218.60989	2.7
221.15511	4.6
236.10504	4.3
293.04489	15.7
293.08984	10.1
293.13892	4.5
293.17761	5.0
293.21298	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	291.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50272	1.7
70.50625	1.1
75.78812	0.6
108.53804	0.6
138.65054	0.7
139.11211	0.8
148.98085	0.6
184.76109	0.9
188.62381	0.7
219.21198	5.0
263.20218	2.2
276.48563	0.7
291.19720	100.0
292.20035	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15786	0.4
57.03326	1.6
58.11578	0.4
61.32119	0.4
61.90935	0.4
66.13989	0.4
66.54522	0.4
70.93128	0.4
71.08140	0.9
74.74124	0.3
80.02579	0.4
93.07008	0.9
93.26556	0.4
93.27135	0.4
97.06502	1.4
121.10146	12.8
122.10452	0.7
123.08108	1.7
125.09650	6.7
141.12785	1.2
147.08156	1.0
150.87129	0.4
171.10236	0.5
185.11813	13.5
197.11842	2.4
209.11885	1.1
211.13422	1.9
223.13283	0.9
247.20583	0.8
266.29095	0.4
273.18607	1.0
291.19730	100.0
292.20157	6.3
309.65283	0.4
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	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
67.32923	0.7
70.38857	2.1
70.39239	1.5
89.01804	0.8
98.20509	0.9
101.42922	0.8
129.63393	0.9
144.19708	0.8
187.17265	0.9
195.42297	0.9
219.21191	4.9
247.20659	1.5
263.20349	1.3
273.18439	0.8
291.19720	100.0
292.20016	7.4
313.21204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14673	0.3
59.01247	0.5
66.99068	0.2
71.01273	0.3
71.22684	0.6
73.54679	0.2
80.02557	0.3
95.04869	0.3
97.06518	0.6
98.14113	0.3
99.99232	0.3
104.48630	0.2
116.73447	0.2
119.04935	0.4
125.06033	0.3
127.11177	0.3
128.40489	0.2
147.08168	0.3
148.08897	1.7
148.90500	0.2
149.09674	0.4
150.10445	1.0
150.30801	0.3
151.11201	0.5
161.99506	0.2
163.11206	1.1
165.12799	21.6
166.13162	1.2
175.11263	0.7
176.12012	0.8
177.12759	0.4
179.14296	0.5
191.14394	0.7
217.15939	0.3
237.68649	0.2
247.20720	10.5
248.21143	0.9
273.18698	5.8
274.18930	0.6
291.19733	100.0
292.20074	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
59.01262	3.4
70.69388	1.1
71.01278	0.5
71.04908	32.8
72.05264	0.6
78.60706	0.4
81.03321	0.4
83.04922	0.6
97.06494	10.5
119.58599	0.4
121.02851	0.5
121.10148	0.4
123.08084	0.7
133.06477	0.5
133.20764	0.3
157.12283	0.6
163.14873	1.0
165.12730	0.6
175.14897	0.6
181.12285	2.0
193.12288	0.6
193.16003	0.9
195.13873	0.6
197.73325	0.4
205.12311	0.4
207.13892	3.4
219.13933	3.8
235.17020	4.7
247.20784	2.4
249.04199	0.4
270.68738	0.4
273.18738	2.0
291.19733	100.0
292.20050	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	290.1404
Annotation	Convolvine
Peak:m/z	Relative Intensity
59.01258	0.5
65.00220	1.2
70.02354	2.4
93.03358	6.1
98.02386	0.6
105.03387	0.5
108.04470	1.0
109.02833	0.9
121.02866	8.1
122.06003	0.6
122.44093	0.4
133.02867	0.5
134.06004	0.6
135.04448	1.3
136.03979	0.9
147.00850	1.0
147.08029	0.5
149.02403	5.5
150.05537	5.8
152.07048	0.5
160.03957	0.6
164.04709	0.8
175.07584	1.7
178.05055	11.4
179.07112	0.9
190.08699	0.8
191.54575	0.4
197.00984	0.4
202.08676	0.8
204.10312	1.6
206.04556	1.1
210.73599	0.4
232.09796	27.2
233.10112	2.1
236.09396	0.6
260.09320	100.0
261.09656	6.3
274.10828	0.6
275.11688	60.8
276.12079	5.2
290.14041	69.1
291.14380	5.2
291.19687	0.7
301.01059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0882
Annotation	Didemnimide E
Peak:m/z	Relative Intensity
59.01257	0.1
61.38435	0.2
63.02264	0.8
65.00204	0.8
67.01778	0.4
70.54236	0.3
70.54604	0.3
89.03861	2.9
91.01797	1.8
93.03317	0.2
95.04915	0.6
98.19841	0.1
105.03373	0.7
107.01289	1.2
109.02851	1.9
111.00765	0.2
121.02819	0.8
123.04436	0.6
125.02351	0.3
132.02115	0.3
133.02881	5.3
135.00798	1.9
146.54306	0.2
147.00755	0.2
147.53972	0.2
149.02376	1.1
153.01930	0.3
177.01889	48.2
178.02252	2.0
229.05025	0.4
273.07684	1.2
291.08801	100.0
292.09134	8.0
304.44281	0.2
305.91956	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	291.0883
Annotation	Mikaperiplocolide
Peak:m/z	Relative Intensity
53.68430	0.2
59.01262	1.0
61.42621	0.2
61.98705	0.4
63.02286	0.2
66.81885	0.2
69.24371	2.6
71.01278	0.7
85.02840	0.6
88.63132	0.3
90.55193	0.3
93.03366	0.3
95.04905	0.4
96.31541	0.2
96.95882	0.3
97.13694	0.3
99.53552	0.3
105.03352	0.3
105.66376	0.3
109.02855	2.0
117.03364	0.4
121.02898	0.5
123.04438	0.4
133.02892	2.7
135.00804	0.5
136.33656	0.3
149.02391	0.3
153.01764	0.3
161.02388	91.4
162.02701	3.1
163.03920	0.7
177.01883	4.6
189.05641	0.3
201.05533	0.5
217.05064	0.6
217.10796	0.3
229.05003	0.6
231.06645	0.5
232.07375	0.6
245.08301	0.5
247.06108	0.3
255.06657	0.9
265.47614	0.3
273.07745	5.5
274.08160	0.7
291.08804	100.0
292.09131	6.8
292.12326	0.4
301.72711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1406
Annotation	Convolvine
Peak:m/z	Relative Intensity
52.87899	0.4
57.94899	0.4
59.01278	0.8
60.19448	0.4
61.98721	0.7
65.00226	1.8
69.24433	1.3
69.24832	4.7
71.01273	0.7
79.57919	0.6
89.61034	0.5
93.03336	5.9
97.06477	0.9
98.20590	1.2
101.97394	0.5
102.00788	0.5
105.03400	1.7
106.36569	0.5
109.02876	1.5
112.05221	0.6
121.02876	10.6
122.06014	0.9
125.02383	1.7
126.02677	1.5
133.02892	0.9
134.06056	0.8
135.04454	0.9
136.04019	1.5
137.02396	0.9
147.00874	1.4
148.01573	0.6
148.07809	0.5
149.02388	5.3
149.04715	0.7
150.05533	4.1
152.07109	0.9
164.04779	1.5
175.07658	2.0
178.05067	10.3
179.05418	0.5
179.07097	1.1
188.07191	0.5
199.06541	0.7
202.08698	0.8
204.10321	1.8
206.04572	0.7
219.10236	0.7
232.09807	27.3
233.10187	1.9
246.04935	1.2
260.09329	100.0
261.09680	5.6
274.10934	1.1
275.11691	62.3
276.12030	5.2
290.14047	69.8
291.08859	1.2
291.14423	6.9
291.19415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93543	0.4
59.01257	0.5
59.36136	0.3
59.71634	0.4
61.98727	0.4
62.50617	0.3
65.00224	1.5
70.03124	0.6
70.03532	1.5
81.03352	0.4
91.05484	0.3
93.03365	6.9
93.03934	0.6
105.03378	0.7
106.97483	0.4
107.04962	0.8
108.04497	0.5
109.02870	0.9
121.02873	8.5
122.06043	0.6
133.02881	0.5
133.18785	0.5
134.06075	1.2
135.04509	0.6
136.04008	1.0
147.00812	1.3
147.08112	0.8
149.02383	5.4
150.05540	5.5
152.07088	0.6
160.04074	0.6
162.05583	0.5
162.31830	0.5
164.04770	1.2
164.69749	0.3
175.07610	1.9
178.05055	12.0
179.07132	0.5
190.08713	1.0
202.08694	0.6
204.10388	1.8
205.10538	0.4
206.04564	1.5
214.08824	0.5
220.06030	0.4
221.06914	0.8
232.09805	27.0
233.10144	1.8
246.11310	0.5
260.09329	100.0
261.09695	6.7
268.14203	0.3
274.11005	1.2
275.11694	65.8
276.12021	5.1
278.45200	0.4
290.14044	67.1
291.14420	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	288.1613
Annotation	Mesembrine
Peak:m/z	Relative Intensity
53.56699	0.4
59.01265	4.1
60.79197	0.5
65.03828	0.5
66.27321	0.4
69.35188	0.5
81.03353	1.1
92.04984	0.6
93.03371	0.9
103.99620	0.5
108.02070	0.7
108.04471	3.9
109.02865	3.6
109.06502	0.6
134.02402	33.4
135.03212	7.7
136.03975	35.3
137.02376	1.7
137.04282	1.2
148.03978	0.8
149.04764	1.7
174.97185	0.5
176.03476	4.6
249.78563	0.5
288.16119	100.0
289.16473	6.8
289.18335	2.1
290.81879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	14.1
65.03855	2.6
68.80392	2.3
69.03319	4.2
70.80103	4.3
71.01263	8.6
72.99196	74.6
73.02833	7.7
75.00760	4.0
80.02551	2.4
81.03352	6.8
83.04910	6.8
84.99199	6.0
85.02850	6.9
87.00772	63.4
93.03340	14.4
95.01297	6.1
95.04913	10.0
97.02866	3.0
100.98701	10.1
103.00269	48.3
107.04940	22.7
108.02076	18.5
109.02863	16.6
111.00781	7.9
111.04410	10.6
112.74786	2.6
117.03422	2.8
119.04940	10.1
121.02875	20.7
121.06567	4.8
122.03691	7.3
123.00801	13.6
123.04437	51.5
124.01562	9.7
124.04771	2.9
125.05999	5.8
130.99799	14.9
131.04955	3.1
133.02885	9.2
133.17676	2.6
135.04437	19.8
137.02380	4.5
137.06004	3.8
138.03148	3.2
139.03931	10.5
146.99304	30.2
147.04454	20.5
149.02356	4.5
149.05995	26.3
151.03911	6.2
156.78378	3.1
161.90100	2.5
163.03969	25.9
165.05515	32.8
167.03426	4.6
177.05560	5.8
179.03442	8.9
181.05040	24.9
191.03407	3.9
193.05013	3.7
195.02957	7.5
205.07466	2.8
237.04092	5.6
239.05644	69.6
240.05963	4.5
255.05202	11.8
271.04651	10.6
289.05713	100.0
290.06116	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	23.1
64.35048	5.7
69.03362	8.8
71.01263	7.2
71.37646	12.8
72.99200	100.0
73.02825	10.8
75.00803	6.2
81.63441	6.0
84.99213	9.7
85.02810	6.3
87.00772	39.6
93.03357	17.6
95.04894	6.5
100.98711	13.6
103.00268	62.1
107.04941	33.5
108.02071	17.6
109.02879	22.6
111.04429	16.7
119.04916	16.4
121.02863	21.8
122.03639	16.3
123.04446	60.6
127.09026	5.7
130.99808	7.9
135.04469	21.7
137.06035	8.8
139.03867	6.3
146.99280	30.5
147.04472	20.8
149.02402	13.0
149.06027	41.8
151.03979	10.0
163.03899	27.2
165.05513	33.6
177.05609	9.1
179.03401	12.0
181.05000	28.0
197.04509	6.7
221.21629	6.6
239.05629	85.3
255.05135	15.7
271.04669	17.4
278.41537	6.0
289.05719	87.4
301.38858	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	289.1089
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
59.01265	7.2
63.13245	1.7
65.60072	1.4
72.22414	1.7
81.24837	1.4
97.05922	1.5
98.20654	2.6
99.55715	1.6
109.02807	3.7
117.61736	1.6
126.80254	1.4
146.03647	1.9
159.04457	10.4
161.02383	3.6
169.06584	1.8
169.18542	1.6
171.04440	5.5
172.05266	35.7
173.06041	9.8
174.03201	37.0
175.03970	2.3
183.04446	4.3
184.05292	2.3
185.06026	10.9
186.06816	8.5
187.03963	5.0
187.07607	40.4
188.04781	4.5
188.07854	2.6
189.01941	12.1
189.05492	4.5
191.07060	3.0
196.05260	3.6
197.05945	2.4
199.03990	48.3
200.04764	72.2
201.05521	27.3
201.09222	10.4
202.06146	5.9
203.07114	59.0
204.04298	15.5
204.07323	3.3
205.04880	3.4
211.03972	6.2
211.07663	3.7
213.05571	10.6
214.06314	13.2
215.07130	86.3
216.07565	8.1
218.05864	2.3
219.06705	3.7
220.35136	1.4
224.04756	6.0
227.03511	18.1
227.07033	8.8
228.04283	92.0
228.07664	13.5
229.05115	25.3
229.08681	39.5
230.05792	7.7
230.09016	1.7
231.06522	1.6
232.03778	4.5
239.07144	13.5
241.08766	1.9
242.05835	5.0
245.08142	2.5
246.08992	1.8
257.08224	100.0
258.08740	9.9
259.09747	5.8
260.06976	3.7
289.10861	34.5
289.18188	2.2
290.11072	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2234
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03320	0.3
59.01253	0.4
69.88335	0.6
83.01292	0.1
97.06479	0.3
98.20528	0.2
99.08060	1.5
105.36143	0.1
109.02862	0.3
109.06487	0.2
125.02375	1.4
129.09126	0.7
135.04395	0.2
139.11188	0.2
140.01437	0.1
141.01866	0.1
141.12787	1.8
155.14363	0.6
157.12335	0.1
161.02390	0.3
165.63176	0.1
168.79372	0.1
177.01848	0.2
211.20653	0.2
213.11298	0.1
223.20638	0.2
239.20187	0.3
241.21739	0.9
267.19742	0.1
269.21259	2.8
270.21707	0.2
285.20810	1.6
287.05853	0.8
287.22333	100.0
288.22675	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	287.2232
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
54.19395	0.2
57.03315	0.5
59.01258	1.2
65.97833	0.2
67.27015	0.2
71.01247	0.3
78.80615	0.2
81.50874	0.2
95.01261	0.2
97.06478	0.4
99.08049	1.8
109.06501	0.3
111.08015	0.3
123.41299	0.2
125.02356	2.6
129.09134	0.7
135.04413	0.2
139.11218	0.3
141.12790	2.1
155.14380	0.7
161.02354	0.7
223.20685	0.3
227.16467	0.8
229.27599	0.3
239.20262	0.4
241.21826	1.0
269.21286	3.2
285.20770	1.6
287.05713	0.7
287.22324	100.0
288.19437	0.4
288.22659	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	287.0933
Annotation	Loureirin D
Peak:m/z	Relative Intensity
57.03322	4.1
59.01258	2.3
64.78067	0.8
65.03836	3.4
70.04662	4.3
71.01263	1.2
81.03355	1.1
83.01280	3.8
85.02847	1.2
91.05430	18.2
91.35311	0.9
93.03366	4.3
97.02845	2.8
99.08068	1.1
102.76453	0.8
108.02076	8.7
109.02863	26.5
111.00748	1.3
113.02363	0.9
121.02871	13.5
122.03664	1.9
124.01584	26.2
125.02374	32.1
126.02721	1.3
127.23429	0.9
133.02831	2.7
134.03644	1.5
135.04448	94.1
136.01588	7.5
136.04781	3.8
137.02408	7.4
138.03166	6.3
139.03944	31.3
145.02861	1.6
145.06494	3.1
147.04459	19.9
148.01550	1.2
149.02356	4.4
150.03166	26.2
151.00322	1.0
151.03954	20.1
159.04413	1.4
161.02370	9.4
162.03096	2.6
163.03943	4.8
165.05522	49.1
166.05836	1.4
169.06453	2.5
169.12251	4.0
177.05510	6.5
183.08118	3.5
185.06029	5.4
187.04007	1.9
187.07599	8.0
196.05243	4.0
202.06236	2.0
203.07109	1.3
209.06094	2.4
210.06866	2.1
211.04027	3.2
211.07634	23.1
212.04771	1.7
212.08008	2.2
213.05545	14.5
215.03517	1.4
219.10272	1.0
227.03560	1.3
227.07133	4.2
228.07819	1.1
229.05008	1.4
230.05786	1.1
240.04257	6.3
241.04724	1.0
244.07547	1.0
245.08173	1.8
253.05182	2.3
254.05925	2.1
255.03113	1.9
255.06673	55.6
256.07080	4.2
257.04593	3.9
269.08249	1.8
269.21271	1.1
272.06961	3.4
287.05704	13.7
287.09283	100.0
287.22348	41.6
287.24670	0.6
287.25677	1.2
288.06476	1.6
288.09622	9.4
288.22641	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0566
Annotation	(+-)-Dalbergioidin
Peak:m/z	Relative Intensity
57.03334	11.5
71.00309	0.6
81.03352	2.2
83.01272	4.7
84.01617	0.3
105.06973	0.2
109.02863	0.8
121.02834	0.3
123.04415	0.3
125.02364	100.0
126.02696	2.1
126.34987	0.2
129.78723	0.2
133.02873	2.9
135.04443	0.7
149.02364	0.3
149.05995	1.1
159.04453	0.7
161.02385	40.5
162.02740	1.1
165.01895	1.0
177.01872	1.0
177.05507	3.5
201.05515	0.6
203.03423	0.3
287.05676	34.2
288.06006	1.6
305.55423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	12.7
59.01267	1.1
62.42759	0.4
63.02287	4.6
65.00212	6.6
67.81066	0.4
69.40826	4.4
80.93896	0.4
81.03339	2.4
83.01279	11.0
93.03368	2.6
95.01292	0.7
107.01295	5.9
107.04921	1.3
108.02090	0.5
109.02862	2.1
109.18103	0.5
110.46769	0.5
111.00803	0.6
117.03393	0.6
119.04961	0.6
121.02857	1.0
123.00791	0.8
123.04453	1.8
124.01611	2.4
125.02370	100.0
126.02690	2.6
129.82036	0.5
131.04961	1.8
133.02879	2.2
134.03671	1.7
135.04427	2.4
145.02921	0.8
149.06052	0.9
151.00320	13.6
152.01112	8.7
153.01868	3.4
155.04968	0.5
156.05766	1.2
157.06523	2.3
159.04488	2.3
161.02332	0.5
163.07526	0.5
165.01758	1.0
169.01337	1.2
171.04462	0.7
172.05284	2.1
173.06039	6.0
175.03967	0.8
176.01140	0.8
177.05534	13.4
178.99823	6.8
180.00458	0.5
181.01358	0.5
187.07671	0.6
192.42097	0.5
193.27008	0.5
197.06058	0.6
199.04073	0.7
199.07671	3.1
201.05573	9.3
202.05984	0.6
203.03535	1.2
213.05638	1.5
214.06358	0.6
215.07133	5.9
219.06598	1.8
225.05540	1.1
241.05084	1.8
243.06670	14.3
244.07039	0.6
259.06180	70.6
260.06558	5.1
269.04590	3.7
287.05685	57.7
287.14676	0.7
288.06033	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
63.08511	1.1
70.85076	2.7
70.85410	1.5
71.01268	2.2
74.56007	1.0
83.04916	3.3
87.00759	1.8
89.02336	2.3
119.04885	1.3
124.04003	1.6
143.75497	1.3
214.75891	1.5
225.16142	10.1
261.00247	1.2
285.27054	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	286.2394
Annotation	Prosopinine
Peak:m/z	Relative Intensity
54.09463	0.3
59.01259	1.4
70.02860	0.9
70.59984	1.2
74.05999	1.2
95.14885	0.4
110.16233	0.3
118.04985	1.0
122.35843	0.3
167.94545	0.4
199.74719	0.3
210.73724	0.4
240.23369	2.5
242.21259	1.1
268.22879	1.0
277.83270	0.4
286.04236	0.5
286.23929	100.0
287.16522	0.7
287.24423	7.3
303.05075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0775
Annotation	Peltogynan
Peak:m/z	Relative Intensity
59.01263	2.4
64.87193	0.3
65.00213	0.8
65.03852	2.1
67.01775	1.5
68.99709	0.4
71.52275	0.5
76.95270	0.4
78.95325	1.0
78.95793	20.9
80.14853	0.4
91.05424	9.6
93.03359	3.0
97.02908	0.5
103.05441	0.8
105.03362	0.5
107.04939	0.8
108.02068	0.8
109.02859	20.3
110.03198	0.8
117.03389	3.4
119.04968	2.2
121.02869	9.2
129.07097	0.5
131.04965	1.3
133.02901	0.8
135.04445	55.2
136.04802	1.5
137.02371	9.3
147.04448	4.9
149.02376	21.9
150.03062	0.9
153.01923	0.4
161.02386	6.8
161.05965	0.5
163.03951	74.9
164.04288	2.8
171.08008	0.6
173.06009	2.1
175.03966	13.1
176.04352	0.7
179.03458	3.8
182.02158	1.7
182.17986	0.4
197.06018	1.6
199.03891	0.5
199.07634	0.8
211.13388	1.6
213.05571	0.4
215.07123	2.3
217.05029	0.6
217.08696	0.5
223.07668	0.5
239.07088	0.8
241.05072	0.9
241.08669	0.9
243.06610	0.6
255.03012	0.4
257.08334	1.8
267.06665	1.2
270.05396	0.8
273.93051	0.4
284.26770	4.5
285.04260	5.4
285.07724	100.0
285.12820	2.9
285.20551	0.9
285.27032	2.1
286.08060	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	285.0775
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflavan
Peak:m/z	Relative Intensity
53.23869	0.3
59.01260	1.8
66.32310	0.3
69.68131	2.2
69.68426	0.5
94.17210	0.3
108.02084	1.7
109.02850	1.4
121.02877	2.4
123.04461	0.5
124.01589	0.6
133.02829	2.2
136.01613	0.6
137.02345	1.2
138.03136	0.5
139.03978	0.5
147.11873	0.3
148.01601	3.3
159.04448	1.0
161.02396	2.0
163.03943	1.4
172.05177	0.7
173.06009	0.6
181.06593	0.5
183.04488	1.3
183.13992	0.4
185.05997	1.0
186.03165	1.0
187.03964	2.8
197.06050	1.0
198.06900	0.5
198.60693	0.4
199.03951	1.3
200.04732	0.5
201.05563	1.0
207.04468	0.5
209.06059	2.5
211.04016	1.7
211.13354	3.4
213.05540	0.7
214.06424	0.7
224.04593	0.4
225.05557	4.2
226.06259	1.1
227.03523	7.0
228.04285	2.2
229.04893	0.4
241.05084	4.0
241.08720	0.7
242.05873	2.1
243.06432	0.4
253.05084	8.2
254.05618	0.7
255.03052	3.8
257.08157	0.5
260.03125	0.6
269.04572	5.8
270.05383	33.6
271.05731	2.5
274.04974	0.5
284.26837	2.7
285.07730	100.0
285.20483	0.8
285.27103	0.9
286.08051	8.7
288.11139	0.4
302.04440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.2
61.98695	0.3
63.02278	1.1
65.00208	2.9
69.61851	0.2
70.32719	0.2
71.54150	0.3
71.54524	0.3
72.67137	0.2
73.16429	0.2
79.01774	0.3
83.01283	2.0
91.01764	0.4
93.03329	0.4
95.01279	0.3
105.03358	0.6
107.01294	5.2
107.01965	0.4
108.02093	0.2
109.02869	0.4
111.00760	0.4
119.04974	0.7
121.02871	1.2
123.04427	0.4
125.02337	0.3
131.04900	0.3
132.02094	0.6
133.02879	24.5
134.03185	1.0
135.00809	0.8
135.04396	1.0
143.04924	0.7
145.02867	0.4
146.03697	0.3
147.04446	1.0
149.02379	3.8
149.84003	0.2
151.00311	8.1
151.01535	0.5
152.00565	0.3
153.01857	0.5
155.04942	0.8
157.02875	0.2
157.06563	0.4
159.04451	0.3
161.06030	0.4
167.04916	0.3
169.01384	0.3
169.06502	0.4
171.04471	1.1
173.06000	0.3
175.03966	6.0
176.04216	0.2
177.01884	0.3
183.04440	0.3
184.04752	0.3
185.06078	1.2
187.03992	0.8
189.05545	0.9
195.04457	0.4
197.02754	0.3
197.06003	0.7
198.03152	1.1
199.03990	6.3
199.13434	0.5
200.04373	0.3
201.01912	1.9
211.03992	0.5
211.13336	1.0
212.04631	0.3
213.05582	1.3
214.02611	0.2
215.03503	0.9
217.05023	2.3
223.04010	0.4
226.02782	0.4
229.05040	0.7
239.03593	0.3
240.04265	0.3
241.05063	1.9
243.02982	1.1
244.68651	0.2
257.04596	2.5
258.05084	0.3
267.02914	0.5
284.26807	2.8
285.04117	100.0
285.20734	0.7
285.27234	0.9
286.04459	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0411
Annotation	7-Hydroxyemodin
Peak:m/z	Relative Intensity
56.51625	0.3
59.01266	3.5
63.01502	0.3
63.02280	0.8
65.00203	2.3
67.01758	1.2
68.99713	0.5
69.03333	0.4
69.67243	2.3
71.01277	0.3
74.08263	0.3
82.20155	0.3
82.22977	0.3
83.01281	1.3
85.02886	0.3
88.34229	0.3
91.01791	0.4
93.03361	2.3
95.01279	4.1
97.15776	0.3
98.20548	0.5
99.00794	0.3
107.01298	1.3
108.02064	0.6
109.02853	2.8
109.99992	0.4
111.00774	0.7
117.03378	3.4
119.04936	1.8
121.02879	0.9
123.00777	3.3
123.04356	0.5
124.01637	0.3
131.04938	0.7
132.02122	0.4
133.02875	6.2
135.00787	1.4
135.04425	1.0
136.98698	0.7
137.02333	1.1
141.03317	0.4
143.04977	3.1
145.02888	1.1
145.06548	0.6
147.04466	1.0
148.01619	0.5
149.02361	1.1
151.00287	2.0
154.04045	0.4
156.05754	0.5
157.06509	1.3
159.04456	0.8
161.02409	0.3
161.06039	0.5
164.98233	1.7
165.01895	1.6
167.04974	1.6
169.06546	1.9
171.04456	2.9
173.06056	0.7
175.03957	2.2
177.01880	1.5
183.04533	1.6
184.05145	0.5
185.06030	4.8
186.06400	0.6
187.03973	3.1
188.04533	0.4
189.05537	1.2
192.00644	0.4
195.04506	0.7
196.05244	0.8
197.06073	2.1
198.03258	0.4
199.04002	2.4
201.01913	0.4
201.05591	0.9
202.75485	0.3
211.03970	2.0
211.13405	3.7
212.04469	0.6
213.05560	8.3
214.02702	0.3
214.05807	0.4
215.03622	1.7
217.05055	3.8
222.20560	0.3
225.11273	0.6
227.03494	9.4
228.03851	0.8
229.05101	5.4
229.07356	0.6
230.05350	0.4
239.03513	0.9
240.04266	1.0
241.05072	13.1
242.02367	0.5
242.05363	0.9
255.03029	6.9
256.03781	7.7
257.04605	26.4
258.05045	2.8
266.42422	0.3
268.03812	0.5
270.05557	0.7
283.02435	0.4
284.26843	5.2
285.04108	100.0
285.20773	1.7
285.27164	2.2
286.04459	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	283.2286
Annotation	2-Methoxy-5Z-hexadecenoic acid
Peak:m/z	Relative Intensity
56.97739	0.4
59.01267	9.7
59.27422	0.4
69.95966	0.4
70.82576	0.9
71.01263	0.8
73.02830	0.6
83.04942	0.4
101.02314	0.9
103.65352	0.5
113.02275	0.6
113.21812	0.5
127.80118	0.4
223.08205	1.5
223.37866	0.4
235.20662	1.0
237.22260	33.8
238.22473	1.9
265.21750	1.0
268.03839	0.8
283.06174	0.8
283.22845	91.7
283.26453	100.0
284.23178	6.6
284.26794	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	285.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
63.02283	1.0
65.00212	6.8
65.03854	0.2
66.00554	0.2
66.42590	0.1
67.01784	0.3
70.46489	0.6
83.01275	8.9
84.01630	0.2
89.00190	0.3
89.03875	0.5
91.01817	0.3
93.03378	0.2
95.01269	0.3
96.29692	0.1
107.01307	1.4
108.02061	0.3
108.99192	0.2
109.02874	1.6
114.19762	0.1
121.02882	0.3
123.00803	0.4
123.04465	0.7
126.04759	0.2
130.04158	0.4
131.04932	0.8
132.02045	0.3
133.02884	14.7
133.51115	0.1
134.03227	0.9
135.00818	0.4
135.04446	0.4
141.07030	0.3
143.04959	1.0
145.02867	0.5
145.06529	0.6
147.00816	0.6
147.04459	0.9
148.01581	0.7
149.02382	3.7
149.06081	0.2
151.00288	2.0
151.03917	1.0
153.07072	0.3
154.04173	0.2
155.04974	0.6
157.02899	0.7
157.06444	0.3
159.04515	0.2
161.02336	0.3
161.05998	0.2
167.04965	0.3
169.06487	0.8
170.03706	0.2
171.04471	1.7
172.05150	0.3
173.02391	0.9
173.06035	3.4
174.03110	0.7
174.06352	0.2
175.03966	21.5
176.01128	0.2
176.04289	1.1
177.01840	0.4
185.06056	1.3
187.03964	0.7
189.05528	1.5
195.04579	0.8
196.05292	0.5
197.02675	0.4
197.06071	2.2
198.03186	1.0
198.06372	0.2
199.03990	9.7
200.04300	0.6
201.01936	3.4
202.02260	0.3
211.03958	0.7
211.13416	0.7
212.04788	0.6
213.05550	2.7
214.06004	0.2
215.03484	1.1
216.03760	0.2
217.05058	36.0
218.05400	2.5
223.04062	0.6
226.02728	0.2
227.03534	0.2
229.05093	0.8
239.03458	0.5
240.04268	0.9
241.05098	3.7
242.02275	0.5
242.05409	0.2
243.03050	1.5
257.04648	1.8
267.02933	0.3
284.26785	0.5
285.04111	100.0
286.04440	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	283.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01611	1.2
71.01302	0.2
78.23145	0.2
83.52230	0.2
117.03433	0.2
117.41311	0.2
161.09639	0.3
177.52641	0.2
179.10670	0.1
223.13402	0.7
230.19176	0.2
240.04300	0.7
268.03793	0.7
283.02838	0.3
283.06113	3.7
283.15579	0.2
283.26468	6.6
284.03513	0.2
284.06577	0.2
284.26736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09412	0.3
59.01261	4.3
69.44008	3.0
72.24419	0.3
91.01864	2.1
96.00360	0.3
98.19781	0.5
107.01331	0.5
108.02133	1.1
116.78107	0.4
119.01316	2.6
121.02880	1.7
132.02083	0.5
135.00801	4.5
143.05064	0.4
145.02930	0.6
148.01610	4.4
151.00356	1.3
153.01898	2.1
155.04912	0.6
156.05818	0.6
159.04498	0.4
160.01649	1.0
161.04590	0.4
167.05031	0.9
171.04509	0.8
174.94250	0.4
180.06084	0.4
182.03755	0.6
183.04491	2.7
184.05273	5.5
185.02435	0.6
185.05655	0.5
195.04500	2.7
196.05290	2.3
198.03294	0.6
199.03928	0.8
211.03993	16.8
212.04683	3.1
213.05185	0.5
223.04077	1.8
223.08189	0.6
224.04764	2.4
227.03508	1.3
239.03514	11.0
239.16727	0.4
240.04257	7.8
251.03496	1.1
255.03021	42.7
256.03427	3.1
267.02979	4.7
268.03818	91.3
269.04169	7.4
283.02567	26.9
283.06134	100.0
283.26468	21.2
284.02963	3.4
284.06476	7.9
284.26688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0619
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
52.81728	0.3
54.20322	0.4
59.01260	10.4
69.31226	3.9
71.01270	0.9
82.94229	0.4
89.02325	0.6
98.19823	0.6
132.02095	5.1
135.00786	0.9
151.00275	0.8
153.01834	0.5
154.04185	0.6
167.05005	0.5
167.37968	0.4
184.05194	0.6
195.04517	1.2
196.05219	0.9
198.03093	0.4
201.02562	0.8
211.03996	5.4
212.04727	2.0
223.03944	3.5
223.08241	1.2
224.04727	3.1
226.02664	2.4
239.03517	12.6
240.04222	5.2
255.02936	0.9
267.03018	14.1
268.03809	91.2
269.04153	6.3
283.06171	100.0
283.26468	45.0
284.06516	7.0
284.26828	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	283.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27579	0.2
55.82379	0.1
59.01268	1.9
59.58839	0.1
61.50832	0.1
62.05474	0.2
71.39754	0.2
77.25984	0.1
78.73260	0.2
82.48852	0.2
101.02332	0.2
122.00031	0.4
132.02193	0.2
133.02870	0.4
147.00798	0.3
183.04482	0.5
184.05283	0.4
187.03975	2.6
195.04448	0.2
196.05267	6.5
197.05544	0.5
211.03972	2.2
212.04726	0.7
215.03508	0.2
223.04144	0.3
239.03488	2.3
240.04289	44.8
241.04626	3.4
268.03809	35.6
269.04178	3.5
283.06165	100.0
283.26462	8.6
284.06491	9.4
284.26862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0618
Annotation	Biochanin A
Peak:m/z	Relative Intensity
51.74432	0.3
58.67570	0.3
59.01266	1.9
61.38744	0.3
61.55513	0.3
62.18695	0.3
65.00204	0.4
69.21684	0.3
69.87190	1.0
69.87601	0.6
91.01765	1.1
107.01289	0.4
119.01314	1.8
121.02882	1.0
132.02092	4.3
135.00809	1.9
148.01630	0.5
150.99255	0.3
151.00281	1.9
153.01865	0.8
167.05011	0.5
176.65744	0.4
182.03700	0.7
183.04501	1.7
184.05209	0.5
187.04025	0.5
195.04465	1.4
196.05251	1.2
196.08229	0.3
198.03099	0.5
199.03992	1.0
211.03993	6.2
212.04733	2.6
222.37689	0.4
223.04030	4.1
224.04785	3.6
226.02708	2.4
227.03458	1.4
238.35803	0.3
239.03519	13.7
240.04259	4.7
255.03023	24.4
256.03442	2.6
267.03040	16.3
268.03818	90.4
269.04166	7.5
283.02618	14.2
283.06137	100.0
283.26477	9.5
284.03217	6.3
284.06512	8.4
284.26855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0617
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
59.01268	3.3
60.61425	0.2
85.10603	0.2
85.51645	0.2
88.06860	0.2
93.71029	0.2
122.00047	0.3
133.02882	0.7
147.00793	0.5
159.18877	0.2
183.04523	0.3
184.05377	0.2
187.03961	2.5
196.05272	5.8
196.90877	0.2
197.05807	0.3
198.03146	0.2
211.03961	2.1
212.04674	0.6
214.02940	0.2
223.08244	0.5
239.03496	2.1
240.04303	39.6
241.04636	3.2
252.81830	0.2
255.02991	0.6
265.78174	0.2
268.03812	34.6
269.04166	2.6
283.06174	100.0
283.26480	20.0
283.28989	0.3
284.03897	0.3
284.06500	9.1
284.26755	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	283.0616
Annotation	2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
Peak:m/z	Relative Intensity
59.01262	17.6
61.98706	0.8
65.00200	0.5
66.79555	0.4
68.85019	0.4
68.99714	0.5
69.31657	3.0
71.01273	1.5
81.03361	0.6
81.68502	0.4
83.01282	0.4
89.02328	0.6
91.01781	0.4
95.04917	0.9
101.02335	0.9
105.03310	0.4
106.04116	0.5
108.02061	0.9
109.02912	0.5
120.05698	0.5
121.02892	2.9
121.04951	0.4
121.06477	3.7
122.03659	0.6
123.04441	4.6
127.52673	0.4
132.02077	5.2
133.02879	49.2
134.03670	37.2
135.00792	1.5
135.04056	0.9
136.01590	14.1
147.04445	0.4
149.02391	1.3
151.00356	0.8
151.03931	2.2
153.01857	0.5
161.04503	0.8
166.02748	0.8
168.00563	0.8
174.47046	0.4
182.02184	0.5
183.04550	1.3
195.04475	1.4
196.05226	1.3
198.03203	0.6
198.06886	0.7
199.04027	0.6
211.03989	5.7
212.04668	1.5
213.09213	0.5
223.03989	3.3
223.08191	1.8
224.04773	3.2
225.05528	0.7
226.02705	2.1
227.03551	1.0
239.01028	0.6
239.03503	11.7
240.04295	5.2
241.04730	0.6
251.07179	1.5
253.05057	0.8
255.03053	9.0
256.03519	0.9
267.03040	12.5
268.03821	85.7
269.04160	6.5
283.02695	5.5
283.06180	100.0
283.09674	5.3
283.26477	85.2
284.03375	0.6
284.06522	7.8
284.26898	3.3
301.06989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0256
Annotation	7,10,12-Trihydroxycoumestan
Peak:m/z	Relative Intensity
55.18897	0.3
55.90623	0.4
59.01259	9.5
63.02303	0.8
65.00218	1.2
70.26556	0.6
70.26945	0.9
71.01254	0.4
83.01289	0.7
91.01793	2.3
97.56021	0.4
98.20420	0.4
101.02320	0.7
107.01302	1.3
110.60800	0.4
119.01297	7.6
120.01533	0.5
121.02852	4.2
131.04922	0.5
132.19470	0.4
133.02853	1.0
135.00787	2.9
141.03484	0.4
143.04976	0.7
143.58440	0.3
145.02902	1.0
147.37627	0.4
148.01572	1.5
151.00302	3.7
153.01918	0.8
155.04964	1.4
157.02882	0.6
159.04462	1.0
167.04979	0.7
169.02905	1.1
171.04485	1.0
173.02419	0.5
182.03682	1.5
183.04480	4.8
184.05177	1.2
185.02382	1.4
187.03986	1.7
195.04547	0.5
196.05209	0.5
198.03229	0.7
199.03906	1.5
210.03166	0.5
211.03961	6.3
212.04613	0.7
213.01880	0.6
223.08232	1.3
224.04695	0.6
224.30995	0.4
226.02603	0.5
227.03542	2.2
228.03882	0.6
239.03563	2.2
240.04228	2.2
255.03014	100.0
256.03369	6.2
267.03040	1.1
268.03802	19.8
269.04120	1.6
283.02527	51.7
283.06134	31.7
283.26471	49.9
284.02960	4.8
284.06519	2.0
284.26804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0254
Annotation	7,10,12-Trihydroxycoumestan
Peak:m/z	Relative Intensity
59.01263	10.0
63.02290	1.4
63.80803	0.3
65.00249	0.8
68.99718	0.3
69.93353	1.5
83.01302	0.8
89.02366	0.4
90.92994	0.3
91.01778	2.0
96.70514	0.2
101.02382	0.5
107.01300	1.8
117.03388	0.3
119.01299	7.8
120.01622	0.4
121.02856	3.9
127.05436	0.5
132.02107	0.7
132.71581	0.3
133.03012	0.3
135.00784	2.2
138.72379	0.3
143.04936	0.6
145.02890	1.1
148.01628	2.0
151.00284	3.7
153.01851	0.8
155.04962	1.1
157.02911	0.4
159.04466	1.1
161.04498	0.4
167.04956	0.7
169.02859	0.9
171.04462	1.2
173.13228	0.3
182.03717	1.5
183.04486	4.9
184.05006	0.4
185.02405	2.0
187.04012	1.5
189.01880	0.3
195.04535	0.7
195.31873	0.3
196.05217	0.4
197.74864	0.3
198.03206	0.8
199.03990	2.0
200.04797	0.5
210.03284	0.6
211.03973	4.2
212.04608	0.9
213.01949	1.0
216.17480	0.3
223.04034	0.9
223.08153	0.7
224.04753	0.8
226.02628	0.8
227.03500	4.6
239.03491	3.2
240.04285	0.9
255.03021	100.0
256.03403	6.4
267.03030	2.6
268.03809	14.6
269.04092	0.8
283.02530	56.5
283.06113	16.1
283.26477	44.2
284.03268	23.6
284.06339	1.1
284.26785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.213
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
50.02372	0.7
57.03326	0.9
59.01266	23.6
71.01272	1.6
71.22832	1.4
83.04948	1.2
85.02848	1.4
89.02355	1.0
99.08051	2.1
101.02332	1.9
113.02341	1.5
119.26827	0.7
123.08065	0.6
161.04509	2.1
179.14471	1.1
182.75342	0.6
193.07111	0.7
195.12103	0.9
195.13892	19.8
195.37326	0.6
196.14177	1.0
221.06647	1.5
221.11888	0.7
225.01855	0.6
237.14818	0.9
263.20218	16.9
264.20541	0.8
281.14536	2.1
281.21298	100.0
281.24554	4.5
282.21652	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	281.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02372	0.7
57.03326	0.9
59.01266	23.6
71.01272	1.6
71.22832	1.4
83.04948	1.2
85.02848	1.4
89.02355	1.0
99.08051	2.1
101.02332	1.9
113.02341	1.5
119.26827	0.7
123.08065	0.6
161.04509	2.1
179.14471	1.1
182.75342	0.6
193.07111	0.7
195.12103	0.9
195.13892	19.8
195.37326	0.6
196.14177	1.0
221.06647	1.5
221.11888	0.7
225.01855	0.6
237.14818	0.9
263.20218	16.9
264.20541	0.8
281.14536	2.1
281.21298	100.0
281.24554	4.5
282.21652	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	281.14
Annotation	Carolenalol
Peak:m/z	Relative Intensity
57.03336	17.9
59.01263	68.3
71.01258	4.2
71.52718	5.3
72.13078	2.5
80.75517	3.0
82.28063	2.8
83.04920	14.4
87.00777	15.7
95.04938	6.3
101.02328	3.2
107.04909	2.7
111.04436	7.7
111.08077	5.3
113.02339	3.1
119.08601	3.7
121.06499	12.0
123.08084	33.6
124.05191	4.5
124.08409	3.3
137.09627	5.8
139.07568	8.5
145.10168	7.7
150.05502	3.6
151.07634	4.8
153.09187	3.7
169.10158	6.7
171.11742	37.8
189.12875	13.4
193.07265	3.6
201.12772	13.2
207.13866	7.3
219.13901	5.8
237.14961	50.8
238.15338	3.8
281.14017	100.0
281.24768	14.5
282.06271	7.7
282.14304	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	281.2129
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
52.65311	0.2
57.05976	0.2
59.01264	8.4
64.64269	0.3
69.03329	0.3
71.01264	0.5
73.02824	0.3
81.03344	0.4
83.04922	0.9
84.02053	0.3
85.02882	0.4
89.02349	0.4
95.04967	0.3
97.06519	0.5
98.19868	0.9
101.02343	0.7
102.15409	0.3
109.06488	0.8
113.02325	0.3
113.09637	1.1
127.10297	0.5
127.11214	9.7
141.12790	4.3
153.08913	0.2
161.04462	0.5
167.41385	0.3
199.17043	1.3
217.19661	0.6
221.06683	0.7
229.34004	0.2
233.19162	0.3
235.20689	9.4
236.21075	0.9
257.63196	0.3
263.20190	0.8
264.31561	0.3
273.88385	0.2
279.19641	0.3
281.21280	100.0
282.21643	7.5
282.24603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0884
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
57.03324	8.1
59.01050	3.9
59.01268	39.9
67.52097	3.9
69.03320	4.1
69.82491	18.1
70.34357	4.1
71.01263	55.4
72.99197	27.8
73.02831	6.4
75.00750	6.4
78.95764	3.5
83.01270	5.9
85.02841	52.1
87.00762	28.8
89.02359	7.8
95.01277	11.2
99.81457	4.8
101.02354	8.6
103.00262	12.3
105.01837	4.8
111.80364	4.0
113.02350	86.3
115.11993	3.8
124.89075	4.8
126.98763	4.9
129.01854	8.9
131.03410	7.5
133.01346	11.6
157.01399	5.5
164.92659	7.2
171.02962	6.1
189.03893	7.3
189.49634	4.0
205.07147	9.8
206.93803	8.3
207.05110	35.8
249.06219	5.7
281.05698	5.1
281.08829	100.0
282.09100	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	281.0882
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
55.01794	4.1
56.65081	2.6
57.03318	9.1
59.01267	65.0
60.99162	2.8
68.99727	2.8
70.60896	3.1
71.01267	54.2
71.50498	4.2
71.50872	4.5
72.99220	3.5
73.31239	3.0
75.00793	3.2
77.90361	3.2
83.01283	5.7
85.02840	46.1
87.00768	24.7
88.03910	4.8
88.98701	27.2
89.02326	7.4
95.01266	7.0
96.12790	3.0
99.00823	3.5
101.02326	11.6
111.00711	5.1
113.02356	74.8
114.80433	2.6
129.01863	7.1
131.03419	3.9
133.01306	5.4
142.54408	3.2
161.04543	3.7
205.07158	10.3
230.31036	3.1
237.14938	3.2
249.06165	3.8
281.08813	100.0
281.24802	8.5
282.09079	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	281.1401
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.54919	0.9
57.03335	11.5
59.01266	34.2
61.98704	2.1
65.03853	3.0
69.03339	1.1
69.48844	8.7
71.01263	3.3
71.04875	1.2
73.02856	1.3
83.04923	9.9
85.02829	2.3
87.00772	14.2
88.03927	2.3
93.03346	1.0
95.01300	1.4
95.04939	3.5
96.95898	1.0
97.02871	1.1
101.02345	2.1
109.02853	1.3
109.06513	1.7
111.04423	4.4
111.08070	2.9
113.06007	1.3
119.04883	1.3
121.06490	5.6
123.08083	23.3
124.05235	1.6
129.07004	1.3
132.02956	2.7
135.08057	1.8
137.09616	4.3
139.07584	5.7
143.08588	1.3
145.10120	3.1
149.09717	1.3
151.07593	3.8
153.09140	3.6
161.05942	1.2
165.08990	1.1
169.10175	3.8
171.11757	26.1
172.12117	1.3
189.12827	9.4
193.07162	2.1
201.12813	9.1
207.13831	7.6
219.13914	5.2
221.06554	1.3
237.14989	47.1
238.15352	3.0
246.35394	1.1
277.98776	1.1
281.14008	100.0
281.24887	4.6
282.14371	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	281.0822
Annotation	Matteuorien
Peak:m/z	Relative Intensity
57.03320	1.1
59.01261	32.7
60.01585	0.9
65.03846	5.5
67.01781	1.0
71.01257	3.3
71.44012	1.2
73.02890	0.7
74.94922	0.6
84.99012	0.6
85.02865	1.0
87.00774	1.0
89.02339	1.8
91.05427	9.7
92.93246	0.7
93.03366	2.7
95.04993	0.6
101.02345	2.7
103.05429	1.0
107.02303	0.7
107.04903	0.8
108.02076	1.3
109.02856	73.7
110.03195	2.8
113.02406	0.9
121.02866	9.2
123.04451	1.4
123.08014	0.8
129.07056	0.7
130.04147	2.4
133.02878	11.3
135.04439	70.8
136.04776	2.3
146.03651	0.8
147.04489	6.7
149.06004	1.3
159.04449	31.1
160.04805	1.8
161.04446	1.9
171.04489	1.2
173.02443	1.3
176.44481	0.8
178.02757	1.1
179.08614	1.2
193.07158	1.6
197.06068	2.0
211.07619	1.7
213.05550	2.0
213.09125	4.2
219.08099	1.0
221.06216	3.5
222.06648	1.0
235.07643	0.9
237.09230	2.5
237.14970	1.1
237.18515	0.8
239.07187	5.2
251.03447	1.1
253.08795	1.2
263.07147	8.5
264.07376	0.9
265.05057	1.0
281.08243	100.0
281.17627	2.8
281.24951	4.5
282.08569	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	279.1971
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
59.01265	10.2
60.13578	0.9
65.67085	0.8
69.03333	1.6
71.01260	1.7
75.00744	1.2
82.99773	0.9
83.04925	1.3
94.90433	0.8
96.95880	1.7
98.20587	1.9
101.02354	1.7
116.95119	0.8
121.10180	1.0
157.08601	1.0
161.04520	1.1
163.11266	1.0
165.12813	1.5
181.12300	22.9
183.99446	0.9
209.11877	8.8
217.19719	2.0
219.02997	1.3
238.44820	0.9
242.11644	3.7
261.18658	13.5
279.06641	2.0
279.13000	2.6
279.19733	100.0
279.23145	8.3
280.19965	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	279.2335
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.09220	0.6
69.70431	4.5
76.70625	0.6
98.17530	0.6
148.72791	0.6
186.74533	0.7
188.30807	0.8
279.23358	100.0
280.23682	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	279.1972
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
50.65974	1.0
52.34604	1.0
54.47355	1.0
57.03333	0.9
58.38721	0.9
59.01263	12.3
69.51614	0.9
71.01273	2.5
71.51957	1.7
75.00771	1.6
76.04229	1.0
83.04902	1.0
107.08575	30.1
125.09669	1.5
127.11223	1.2
135.04398	1.1
163.14810	1.1
171.10226	68.1
172.10616	2.4
185.11812	3.2
217.19640	7.0
219.03027	1.5
221.15479	4.1
234.05368	1.3
235.17085	4.8
261.18646	100.0
262.19064	5.8
279.06534	1.5
279.19745	60.9
279.23245	8.3
280.20148	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	279.1972
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
59.01046	1.7
59.01270	18.0
61.98723	2.1
67.26614	1.8
69.03325	2.3
69.82300	11.2
71.01264	4.2
71.04901	5.1
75.00740	2.9
83.04903	2.5
96.95934	3.0
137.02451	1.7
163.91655	1.7
209.15439	6.6
217.19630	4.0
219.02925	2.5
221.15469	35.5
223.16899	4.1
235.17137	9.9
261.18643	36.8
262.18845	3.6
279.08725	3.0
279.19666	100.0
279.23270	57.4
280.19925	6.1
280.23584	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	279.1972
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
50.26166	0.4
51.36599	0.4
58.26468	0.4
59.01019	0.4
59.01263	3.4
68.00454	0.4
70.68040	0.7
70.68389	1.0
71.01265	1.2
75.00747	0.7
80.06673	0.5
93.20834	0.4
97.06480	0.7
99.08035	0.6
113.02402	0.4
153.38431	0.4
155.32951	0.4
167.10641	0.7
169.12331	0.7
171.10222	0.7
177.12790	0.7
179.14409	1.2
195.13872	13.5
196.14409	1.0
205.12355	0.8
205.15988	0.6
211.13425	0.8
217.19627	0.8
219.02827	0.7
219.04939	0.5
223.13377	10.0
228.13646	2.3
228.37720	0.5
234.05315	0.7
235.17059	0.6
243.79073	0.5
247.13521	0.9
251.20189	0.5
256.13199	3.6
261.18652	9.6
279.19717	100.0
280.20032	5.7
290.34845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2179
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.29588	0.5
59.01245	1.0
65.76383	0.6
70.39516	2.0
72.84427	0.5
97.95747	0.5
100.15320	0.5
194.02837	0.5
238.22295	0.5
248.50986	0.5
277.21786	100.0
278.22162	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	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.4
61.98721	1.7
71.01271	24.2
71.51575	1.1
72.99197	3.3
89.02333	2.6
106.87576	0.9
112.78130	1.2
115.00285	36.2
119.04940	36.8
119.71840	0.9
120.05244	1.3
133.01353	100.0
134.01688	1.4
163.03954	38.1
219.03030	0.9
235.06166	1.1
278.83017	1.0
279.08752	1.8
279.12845	0.9
279.23303	2.6
280.10086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1089
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
54.09136	1.2
59.01262	47.2
71.01267	26.1
71.04903	4.7
71.51424	1.5
71.51797	1.4
72.16851	1.2
72.17265	1.1
72.99194	3.6
75.00753	2.0
83.01237	1.5
85.02843	7.7
87.00785	3.3
87.03876	1.5
89.02339	25.3
94.07608	1.3
99.00822	1.6
99.04423	16.6
101.02353	16.6
105.01852	2.4
106.23133	1.3
113.02362	8.8
117.05490	30.1
119.03426	9.1
135.39594	1.5
160.02501	1.5
161.04494	2.2
175.04045	1.3
179.05534	2.2
237.26419	1.6
279.10925	100.0
279.23279	4.8
279.77063	1.4
280.11258	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	275.2022
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
57.37910	0.4
59.01265	4.2
71.01255	0.9
76.27955	0.4
78.63686	0.4
93.07908	0.4
139.59071	0.4
145.00348	0.4
165.74075	0.4
168.12224	0.4
177.16466	1.1
192.95844	0.4
197.15479	0.4
219.13983	0.4
231.21155	5.9
232.21631	0.5
257.19174	0.6
275.20212	100.0
276.20535	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	277.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33128	0.3
59.01267	2.3
65.33060	0.3
70.83888	0.7
70.84240	0.4
71.01271	0.5
98.75760	0.3
106.08722	0.3
118.80272	0.4
148.25560	0.3
226.75890	0.4
233.22687	0.6
250.24950	0.4
259.20755	0.7
275.20084	0.6
277.21786	100.0
278.22141	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	277.2178
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
56.47992	0.2
59.01264	2.7
60.91296	0.2
68.18600	0.2
69.39635	1.9
71.01250	0.3
83.04912	0.3
85.52627	0.2
127.07552	0.3
151.65326	0.2
197.03941	0.2
205.15894	0.2
232.14221	0.2
233.22664	0.4
259.20819	0.4
275.20221	0.5
277.21780	100.0
278.19089	0.3
278.22128	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	273.0776
Annotation	4,2',4',alpha-Tetrahydroxydihydrochalcone
Peak:m/z	Relative Intensity
59.01259	0.8
65.03844	3.7
67.01785	1.2
68.08707	0.5
68.99711	0.6
69.70763	1.9
69.71191	1.5
71.01270	3.6
73.02808	0.5
75.12752	0.4
75.69241	0.5
75.94420	0.5
79.05408	3.0
81.03349	2.3
93.03365	3.6
98.19888	1.1
99.00785	6.6
107.01273	0.8
108.02065	1.6
109.02860	27.2
110.03195	0.9
121.02867	10.1
122.03625	1.6
123.00788	1.2
123.04438	9.6
124.04878	0.9
133.02892	1.1
134.03624	1.5
135.00829	0.9
135.04456	1.6
136.01642	1.5
137.02377	18.6
138.02751	0.6
139.03914	1.4
148.01596	10.7
149.02379	13.4
151.00363	0.6
151.03900	0.6
159.04465	2.4
163.03955	3.9
165.01871	9.4
166.80232	0.6
167.03448	100.0
168.03761	3.9
172.05307	0.9
173.05998	1.9
174.03116	0.6
175.02464	0.8
185.05998	0.8
187.03902	3.1
187.07611	1.1
188.04672	0.9
189.05550	0.7
191.07114	3.8
199.07587	1.1
200.04697	1.0
201.05539	13.0
202.06395	3.1
211.07576	0.7
215.03616	1.0
215.07100	2.3
216.04248	2.1
216.07896	1.4
216.47296	0.5
227.07127	6.5
229.05000	1.0
229.08713	1.6
230.05852	24.6
231.06133	1.8
240.04349	1.0
243.06613	0.9
244.03839	1.2
245.08226	4.8
255.06656	10.2
256.07071	0.6
273.07736	51.1
273.20859	1.8
274.07959	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	275.0933
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
50.58215	0.2
54.83884	0.2
58.46571	0.2
59.01259	0.6
65.00200	0.2
70.02872	1.1
89.03837	0.2
95.04924	0.7
98.19837	0.2
101.02380	0.2
109.02898	0.3
109.68604	0.2
111.70597	0.2
117.03407	1.0
123.04442	1.1
133.02888	5.2
161.02385	92.5
162.02724	3.8
201.11322	0.5
231.06696	0.2
241.68408	0.2
248.52199	0.3
257.08221	0.6
275.09305	100.0
276.09644	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	273.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	8.8
65.39472	1.7
69.03325	2.6
71.01253	3.3
71.35880	2.4
72.99199	47.6
73.02832	4.6
75.00751	5.6
81.03334	2.5
81.58936	1.6
85.02847	2.3
87.00771	24.9
93.03349	17.2
95.04916	4.7
95.61485	1.7
97.06498	1.6
101.02320	1.9
103.00275	23.3
107.04938	44.4
108.02048	2.3
109.02885	10.7
111.04408	7.4
117.03389	1.6
119.04933	14.2
121.06472	2.0
123.04447	24.4
125.06007	10.3
127.03880	1.7
131.04935	6.1
133.02870	8.1
135.04437	10.9
135.41145	1.6
137.05992	3.8
139.03918	3.8
147.04457	22.2
149.06012	13.6
151.03931	2.7
163.03934	3.1
165.05547	28.1
175.03975	2.6
181.05063	3.1
183.06601	11.5
193.05002	3.4
195.02989	2.8
197.04520	6.9
211.06129	4.7
237.04073	2.7
255.05238	10.8
273.06216	100.0
274.06549	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	273.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39361	1.2
67.16602	1.0
71.52566	1.4
73.72651	0.9
78.95795	41.4
90.85011	1.0
95.05016	1.0
96.96873	3.6
97.06480	7.5
110.98441	62.7
113.05986	2.5
126.98746	1.7
141.05501	4.8
165.36717	1.2
168.53970	1.0
168.99904	7.2
241.01196	25.7
244.83713	1.2
273.03873	100.0
274.04233	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	273.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.6
59.01258	0.7
66.58623	0.6
67.66432	0.5
70.60815	0.6
70.64391	2.1
71.01278	1.2
72.00785	0.7
72.99194	1.0
78.95794	100.0
82.95909	0.7
85.02840	1.1
87.00761	2.1
88.48628	0.6
95.07844	0.6
96.96862	16.9
97.06505	0.7
107.10621	0.7
110.02369	0.9
110.98443	23.9
113.02368	1.3
123.00709	0.7
141.01872	1.0
141.05489	0.8
157.01324	1.0
159.02754	0.5
175.02434	1.1
178.58438	0.6
201.08914	0.8
208.86613	0.6
219.76266	0.7
230.02975	0.7
237.54659	0.6
241.01199	6.3
246.13470	0.7
273.03870	89.6
274.04260	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	271.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87880	1.0
59.01271	5.9
60.56871	1.1
61.98735	1.3
63.02272	2.2
64.44890	1.1
64.54564	1.0
65.00207	3.5
70.43048	3.6
71.01259	3.1
72.99208	2.5
80.02580	1.1
83.01275	5.8
93.03379	2.5
99.00786	4.0
107.01285	3.8
108.02010	1.0
109.02834	2.0
109.06500	2.2
111.00845	1.4
112.98714	6.1
115.00327	1.2
119.04948	13.4
119.95438	1.1
142.99780	4.1
143.04553	2.1
151.00301	7.7
153.05513	4.7
167.07095	2.6
173.00894	1.7
174.01656	100.0
175.02087	4.2
177.01854	1.6
209.11967	1.2
239.80963	1.2
271.06171	11.0
271.22818	4.6
281.86130	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	271.2285
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01756	0.3
65.00202	0.3
70.75077	0.7
72.99193	0.3
81.95168	0.2
83.01272	0.4
84.02050	0.4
93.02443	0.2
93.03400	0.3
108.49116	0.2
119.04948	1.1
136.30962	0.2
151.00287	1.1
197.19084	0.8
221.19142	0.8
223.20656	4.7
224.21141	0.3
225.22238	58.6
226.22566	4.6
253.21718	1.5
269.21356	0.4
271.06204	1.6
271.22836	100.0
272.23178	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.0
63.02283	9.1
64.02621	0.3
65.00208	16.0
69.20750	3.0
72.99196	0.4
73.02840	0.3
81.03358	0.4
83.01274	11.6
87.00819	0.3
87.04408	0.9
93.03359	13.0
94.03675	0.4
107.01295	24.9
107.72982	0.3
108.99224	0.3
109.02843	0.9
117.03424	0.4
119.04942	71.6
120.05296	2.1
121.02867	0.8
123.04444	0.3
125.02345	1.5
128.27005	0.3
133.02896	0.4
137.02408	0.5
143.04968	0.8
145.02864	1.5
151.00305	67.2
152.00644	1.9
157.06598	0.4
161.06041	1.0
165.01855	2.9
169.01376	4.7
174.01675	2.1
177.01897	8.6
185.06055	1.4
187.03958	3.0
197.02753	3.4
198.03465	0.6
209.05931	0.3
227.07146	1.4
229.05173	0.6
230.02592	1.0
241.04959	0.4
253.05209	0.5
260.10437	0.2
271.06174	100.0
271.10074	9.4
271.22778	0.8
272.06525	6.3
272.09702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.9
59.01271	6.4
61.98716	2.2
65.00214	2.6
68.99683	1.1
71.01274	7.3
71.04910	1.0
71.56845	1.7
72.99207	5.6
73.02813	1.5
80.02547	1.4
81.03352	1.1
83.01284	4.1
85.02844	1.1
87.04408	3.7
93.03385	2.3
97.06483	3.1
99.00800	6.1
102.52298	1.1
107.01270	2.2
107.04892	1.5
108.02119	2.2
109.02872	2.3
109.06502	3.6
111.00748	2.0
111.08066	2.0
112.98717	7.3
115.00287	3.3
117.01814	1.7
117.83980	1.0
119.04944	8.3
121.06512	2.0
122.06149	1.0
123.04416	1.9
125.02317	2.3
125.06007	6.7
127.07585	1.8
137.06055	5.6
139.07603	1.8
142.99806	28.2
143.04965	1.4
144.00145	1.1
149.06036	2.2
151.00310	6.3
153.05534	9.0
154.05951	1.2
155.07059	1.4
159.04472	1.1
161.06056	1.2
165.05542	2.5
167.07056	3.3
173.00841	3.8
174.01656	100.0
175.02118	3.3
179.07172	1.3
180.46217	1.1
185.06042	1.6
193.05034	8.7
197.06270	1.1
199.03906	1.3
211.06140	2.1
227.03476	1.3
227.07098	1.6
243.03163	1.4
243.06773	1.7
253.04970	3.0
256.03690	1.3
271.02631	3.4
271.06088	26.4
271.08844	2.0
271.15619	7.1
271.18317	1.2
271.22787	5.4
272.06366	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	271.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49787	0.6
56.51120	0.5
57.03339	1.3
59.01255	2.3
63.02278	6.1
65.00208	8.1
68.99699	0.5
71.54435	0.8
80.91420	0.5
81.03362	0.5
83.01273	6.9
83.04903	0.6
88.22433	0.5
93.03356	5.2
94.03709	0.6
107.01289	11.4
108.02078	0.9
109.02840	3.2
117.03366	0.7
119.04944	29.2
120.05276	1.0
121.02848	1.3
124.01561	1.3
125.02366	5.4
135.04398	1.0
143.05016	0.9
145.02834	0.7
147.04449	0.5
147.08148	0.5
151.00310	28.6
152.00681	1.1
153.01787	0.6
157.06473	0.9
161.06015	3.3
165.01913	3.3
167.17020	0.6
169.01361	3.1
171.04411	0.6
174.01648	0.8
177.01892	3.9
181.06612	1.1
185.06052	1.6
187.04031	0.6
197.06075	6.0
197.11798	0.8
203.07117	0.6
209.05969	0.7
211.13341	0.9
215.07201	1.3
225.05566	1.7
229.05072	0.6
229.80461	0.5
236.43329	0.5
243.06625	1.1
253.05141	7.0
270.21524	0.7
271.06186	100.0
271.15680	2.8
271.19263	1.4
271.22772	3.7
272.06567	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	271.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08525	0.5
63.02279	9.2
63.31498	0.5
65.00210	14.3
69.32606	4.3
69.33018	0.9
83.01273	9.8
83.59502	0.5
89.58915	0.6
93.03360	14.0
107.01293	22.1
119.04942	68.0
120.05291	2.4
121.02870	0.8
125.02375	1.6
143.04974	0.6
145.02943	1.2
151.00307	66.9
152.00644	1.9
161.06029	1.2
165.01927	2.8
169.01390	3.5
177.01884	10.8
185.05994	1.2
187.03996	1.9
189.92305	0.6
227.07150	0.7
229.05005	0.8
253.05106	0.7
271.06180	100.0
272.06506	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	271.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01975	0.7
63.02282	7.9
65.00208	15.8
66.00539	0.4
68.99688	0.5
69.51063	2.2
69.51497	0.5
79.98911	0.5
83.01273	12.1
93.03354	11.0
107.01292	25.2
108.01578	0.8
108.91904	0.4
109.31126	0.3
117.03343	0.5
119.04941	70.9
120.05271	2.5
121.02869	0.7
125.02404	1.7
133.02893	0.7
136.01593	0.6
137.02325	0.8
143.04951	1.5
145.02846	2.6
151.00305	70.1
151.97461	1.0
152.00650	2.3
161.05994	1.7
164.01109	0.4
165.01866	3.8
169.01364	4.7
169.02658	0.6
177.01883	8.1
178.02332	0.4
185.06015	2.3
187.03987	4.6
196.00060	0.4
197.00455	0.5
225.26825	0.3
227.07106	2.8
229.05046	0.7
253.04800	0.5
271.06168	100.0
272.03714	0.6
272.06506	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	271.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.5
60.44851	0.4
61.98730	0.6
63.02278	0.6
65.00208	1.3
65.03849	8.1
67.01782	3.8
69.28389	2.8
69.28812	1.4
71.01268	0.8
72.99220	0.4
80.02589	0.7
83.01277	0.8
87.04403	0.9
87.89534	0.3
91.01791	10.8
93.03360	3.3
95.01277	1.5
95.04932	0.5
102.49815	0.4
102.57412	0.4
107.01338	1.8
107.04914	0.5
108.02083	4.0
109.02863	98.7
110.03207	2.1
111.00776	0.5
111.04428	0.5
111.19357	0.4
113.91734	0.4
116.19048	0.4
117.53731	0.4
119.04924	4.0
121.02868	4.0
123.00798	8.3
123.04424	5.2
124.01571	0.7
125.02368	0.6
133.02884	5.3
134.03613	1.7
135.00812	9.3
135.04454	2.2
136.01624	2.0
137.02397	4.3
142.99805	0.5
149.02362	3.5
151.00304	3.8
153.01869	6.0
155.07077	0.7
157.06599	1.0
163.00311	12.0
164.01013	0.5
165.01886	1.7
169.06537	0.5
174.01642	1.6
181.06590	1.0
182.07343	0.7
183.08084	1.2
185.06029	0.8
194.34955	0.4
196.05217	0.7
197.06024	1.3
199.07693	2.2
201.05675	0.4
203.78732	0.4
205.90187	0.4
208.05334	0.4
209.06075	0.9
224.04778	3.6
225.05569	6.0
227.07135	8.0
228.07573	0.5
243.06656	100.0
244.06964	6.2
253.05148	3.1
271.06183	61.5
271.15543	4.7
271.22751	1.0
272.06512	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	271.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.4
59.01252	0.4
63.02267	0.6
65.00196	1.0
65.03523	0.6
65.03848	8.5
66.04197	0.3
67.01778	2.6
71.81625	0.3
83.01263	0.6
86.74738	0.4
87.04365	0.6
89.92168	0.4
91.05442	0.5
93.03351	0.9
98.19729	0.6
102.97067	0.4
103.32774	0.4
105.07006	0.5
107.01304	1.5
108.02108	0.5
108.43015	0.4
109.02859	100.0
110.03181	2.3
119.04937	4.7
121.02859	2.1
123.04436	2.5
133.02876	8.2
135.04437	3.8
147.04434	0.9
147.11771	0.5
149.02388	1.1
149.06036	2.5
151.00304	3.9
161.02386	75.0
162.02730	2.8
162.06854	0.4
177.01782	0.6
181.02292	0.4
184.46404	0.4
229.19891	0.4
261.78177	0.4
262.66547	0.3
271.06201	28.1
271.09772	4.0
271.19232	0.7
271.22815	0.5
272.06577	2.3
272.09549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03238	0.5
52.23810	0.5
57.03332	1.5
58.74734	0.5
70.44966	2.1
93.44772	0.5
94.79148	0.5
95.29775	0.5
119.80539	0.6
128.99083	0.5
147.48871	0.5
149.02328	0.6
162.38330	0.5
168.82458	0.5
179.60211	0.6
189.01273	0.5
225.22290	2.2
241.21727	2.5
269.04684	4.3
269.21277	100.0
270.05167	0.7
270.21606	6.1
273.36923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2129
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
52.69545	1.0
70.28021	3.5
77.09203	0.9
98.41478	0.8
116.21122	0.9
117.03362	1.0
151.00299	1.0
214.30339	0.8
241.21680	2.6
269.04636	11.6
269.21298	100.0
269.24612	3.8
270.21680	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	271.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66864	5.4
59.01254	8.7
65.00212	7.0
70.00805	21.1
70.01196	11.6
72.99200	56.0
77.81110	5.3
81.03311	7.7
83.01283	6.1
83.32738	5.1
87.00758	12.7
93.03349	11.0
99.00775	7.2
107.01276	8.8
109.02854	85.7
119.04928	36.8
121.02894	9.6
123.04436	100.0
130.41629	5.1
151.00299	15.4
151.03987	10.5
181.05032	38.0
191.03470	8.6
194.68857	6.2
195.02858	8.6
214.49957	5.7
230.23552	5.2
253.03479	12.5
271.04358	91.0
271.23038	13.3
275.54297	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	271.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04415	0.9
57.03308	3.4
57.87168	1.0
59.01264	7.1
59.46069	1.1
65.00198	1.8
66.57957	1.0
70.53401	3.7
71.01256	1.2
72.99200	5.6
83.04902	1.1
85.02821	1.3
87.00772	100.0
92.62874	1.1
93.03329	3.2
95.01254	1.8
95.04895	2.3
97.02830	2.0
98.19920	1.3
103.00246	2.9
103.45388	1.2
106.04092	1.0
107.01236	2.5
108.02036	3.1
109.02810	4.7
111.00776	7.5
111.04363	1.5
117.35009	1.1
119.04955	9.5
119.90578	1.1
121.02865	9.0
121.06464	2.6
122.03606	1.2
123.00788	6.8
123.04425	10.3
124.01598	5.2
130.99788	37.6
135.04343	4.6
137.02330	2.1
137.05920	4.2
139.03947	9.2
141.01779	1.6
147.04372	5.0
149.02312	3.0
151.00208	4.5
151.03885	2.8
153.05412	1.8
158.73116	1.1
163.03940	11.0
165.01738	1.3
165.05518	12.2
167.03398	5.6
174.01649	5.7
177.77943	1.1
179.03268	2.0
181.05016	24.0
182.05356	1.4
189.01802	2.3
190.02551	3.2
191.03490	8.0
209.04401	3.4
211.02298	2.9
235.02324	5.0
238.02580	1.7
238.04839	26.4
239.05313	2.1
253.03535	6.5
271.04471	39.7
271.22623	3.2
272.04916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41004	0.3
53.54459	0.4
58.51865	0.3
61.45449	0.3
63.02277	2.7
65.00208	1.4
69.22209	0.8
69.22628	3.1
91.01781	0.9
107.01306	1.7
133.02881	6.3
135.00816	0.7
135.04454	1.1
151.00314	0.5
155.04993	0.8
157.02859	0.9
159.04428	2.2
169.06485	1.1
180.05788	1.3
181.06554	1.8
182.03738	0.5
183.04483	1.6
196.05231	0.7
197.06071	1.1
199.04045	0.6
201.05571	2.0
213.05588	0.5
220.39470	0.4
223.04131	0.6
224.04756	1.1
225.05562	1.1
227.03513	0.5
240.04512	0.7
241.05356	0.7
269.04617	100.0
270.04965	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	269.2128
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
58.94405	0.4
59.01271	1.0
70.04107	1.6
71.01279	0.5
81.47331	0.4
83.04923	0.8
91.08972	0.4
107.01303	0.6
114.79585	0.4
117.03398	1.3
149.02441	0.6
151.00378	0.6
195.11156	0.4
214.81549	0.4
223.20679	31.9
224.21031	1.4
225.22195	1.0
251.20175	1.9
269.01669	0.6
269.04599	10.1
269.21283	100.0
269.24579	3.7
270.05026	1.0
270.21643	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	269.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34363	0.3
71.36797	0.5
89.03863	0.5
91.01794	6.9
93.03346	1.8
109.02871	1.0
113.94356	0.3
116.47274	0.3
133.02884	4.5
135.00807	5.5
139.05461	1.3
147.00810	4.0
149.02374	2.4
152.06247	0.4
153.01863	1.9
153.07091	0.7
155.04965	1.0
157.06522	1.6
169.06503	1.3
171.04474	0.7
173.02226	0.3
175.00343	0.5
175.03966	1.3
177.01894	1.5
180.05742	2.9
181.06531	4.9
182.03687	0.9
183.04504	3.9
185.02431	0.5
195.04498	1.1
196.05321	1.3
197.06073	3.9
198.03279	0.6
198.06253	0.3
199.03995	2.7
201.01901	0.7
201.05502	1.2
207.04474	2.4
208.04951	0.5
210.03183	0.8
213.05560	2.1
223.03984	0.6
224.04771	2.5
225.05571	23.9
226.02724	0.9
226.05992	1.2
227.03476	2.0
241.05089	5.2
242.05399	0.4
247.63524	0.3
251.03476	0.4
269.04608	100.0
270.04965	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	269.046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.2
61.98708	0.2
63.01979	0.2
63.02280	2.3
65.00203	1.4
66.29313	0.1
68.99709	0.1
69.03322	0.2
69.21081	0.4
69.21499	0.7
71.70805	0.1
75.00755	0.1
80.10052	0.1
83.01273	0.5
83.02663	0.1
87.04390	0.1
89.00219	0.3
89.03915	0.1
91.01790	1.2
93.03342	0.2
97.06512	0.1
98.19839	0.2
104.88715	0.1
107.01293	2.4
107.04965	0.1
109.02832	0.1
117.03375	0.4
119.04910	0.1
123.04430	1.1
129.05449	0.3
131.04950	0.1
132.02090	0.8
133.02881	6.0
134.03275	0.2
135.00822	0.5
135.04442	1.3
141.03474	0.1
143.04967	0.2
151.00291	0.8
151.03703	0.1
153.01901	0.1
155.05014	0.7
156.05736	0.3
157.02908	0.9
157.06488	0.3
158.03595	0.1
159.04451	2.3
160.04858	0.1
161.02348	0.3
163.07571	0.2
165.05519	0.4
167.05034	0.2
167.06964	0.2
168.05753	0.2
169.06549	0.9
171.04488	0.5
173.06046	0.4
175.07686	0.2
180.05789	1.6
181.05031	0.2
181.06551	2.3
182.03699	0.4
182.06918	0.1
183.04507	1.8
183.06111	0.1
191.07103	0.2
193.08556	0.2
195.04475	0.4
196.05238	0.9
197.06024	1.0
199.03990	0.6
201.05569	1.7
209.08177	0.6
213.05577	0.9
223.03975	0.3
224.04759	1.9
225.05508	1.3
227.03485	0.6
240.04402	0.5
241.05101	0.5
251.09271	0.3
268.03772	0.4
269.04599	100.0
269.21265	1.6
269.24789	0.5
270.04944	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	269.046
Annotation	Genistein
Peak:m/z	Relative Intensity
59.01242	0.2
61.98710	0.2
63.01979	0.3
63.02285	2.9
64.86997	0.2
65.00214	1.6
69.57162	0.5
69.57587	0.5
71.01279	0.1
74.26682	0.1
75.00754	0.2
83.01273	0.3
89.00225	0.3
91.01794	1.2
107.01301	2.1
107.23768	0.2
109.02905	0.2
117.03368	0.4
123.04436	0.6
131.04944	0.3
132.02089	0.5
133.02890	6.0
135.00858	0.4
135.04433	1.3
141.03432	0.2
143.04918	0.2
147.06676	0.2
151.00298	0.6
153.01941	0.2
155.04996	0.6
156.05702	0.2
157.02863	0.9
157.06499	0.2
158.03670	0.3
159.04460	2.8
161.02397	0.2
167.04834	0.2
168.05769	0.3
169.06554	1.1
171.04500	0.4
173.06058	0.3
176.01230	0.2
180.05748	1.6
181.06531	2.2
182.03711	0.4
183.04483	1.8
184.05099	0.2
195.04466	0.2
196.05232	1.1
197.06000	0.9
199.04063	1.0
201.05548	1.6
213.05591	0.6
223.03972	0.3
224.04785	2.1
225.05562	1.4
227.03471	0.6
240.04236	0.2
241.05016	0.5
269.04611	100.0
269.21307	2.0
269.24850	0.6
270.04965	6.9
270.21509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0462
Annotation	Genistein
Peak:m/z	Relative Intensity
50.80048	0.1
55.93817	0.1
62.00731	0.1
63.01980	0.2
63.02283	2.2
65.00204	1.3
69.81728	0.7
69.97353	0.1
83.01267	0.4
89.00243	0.3
91.01796	0.9
92.80658	0.1
93.03351	0.2
98.20508	0.2
105.03378	0.2
107.01288	2.7
117.03372	4.0
118.03699	0.1
119.04832	0.1
121.02838	0.4
123.04436	0.5
131.04956	0.2
132.02098	0.6
133.02879	5.2
134.03185	0.2
135.00803	0.5
135.04451	1.2
143.04944	0.1
149.02367	1.8
151.00294	2.4
152.00667	0.1
153.01932	0.2
155.04979	0.5
156.05731	0.2
157.02921	0.8
157.06508	0.2
158.03580	0.2
159.04465	2.3
159.06413	0.1
160.04756	0.2
161.02357	0.2
167.04855	0.2
168.05673	0.2
169.06511	0.8
171.04491	0.4
173.06029	0.3
180.05759	1.3
181.06551	2.0
182.03677	0.4
183.04480	1.6
185.02339	0.1
195.04514	0.3
196.05275	0.7
197.06046	0.9
199.04024	0.5
201.05544	2.1
213.05521	0.7
223.03983	0.2
224.04750	1.5
225.05539	1.8
227.03516	0.8
240.04227	0.2
241.05003	0.4
268.03815	0.3
269.04599	100.0
269.21216	0.6
270.04935	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	267.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25349	1.4
55.01752	1.6
55.52610	1.5
55.59994	1.5
57.03326	4.2
59.01263	40.3
71.00907	2.7
71.01274	37.4
71.15098	3.8
71.46375	1.5
72.99196	5.8
73.02843	12.9
75.00767	18.6
77.24373	1.5
85.02843	35.5
85.03359	1.8
87.00780	22.6
89.02338	14.2
91.03911	2.9
95.01301	5.0
96.24217	1.6
99.00781	11.1
101.02348	6.2
103.00264	2.8
113.02354	40.9
115.00304	2.9
117.01816	3.4
122.63026	1.6
129.01854	2.8
132.52472	1.6
142.61916	1.6
161.04500	2.3
249.06229	4.8
267.07288	100.0
268.07571	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	267.1244
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03334	4.2
59.01266	100.0
61.98700	1.2
71.01266	5.6
71.04884	1.8
73.02837	3.6
75.00763	3.0
83.04931	2.4
85.02850	3.7
87.00783	6.4
89.02339	2.0
95.01305	1.0
99.00780	2.0
113.02354	4.7
121.02850	0.9
126.66236	1.0
133.72357	1.0
137.90909	0.9
149.06102	1.2
161.04504	0.9
161.13280	2.3
163.11258	1.3
179.14438	1.3
185.11876	0.9
195.13832	3.0
205.12325	2.1
207.10292	2.0
223.13402	54.6
224.13782	3.1
239.03484	1.8
249.06052	5.5
267.03009	1.3
267.06903	6.3
267.12482	9.4
267.16022	3.6
267.19403	1.0
268.12820	1.1
269.21185	1.4
280.27313	0.9
285.20856	2.2
287.22263	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	267.1972
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
51.03785	2.1
51.99582	2.0
55.01787	2.5
56.92149	1.9
57.95639	2.0
59.01267	13.5
69.03336	4.5
70.32668	8.3
71.01261	5.0
71.04910	9.9
73.02854	2.6
81.03342	2.2
83.84341	2.1
85.02833	2.4
87.00758	3.6
98.19894	2.8
101.02347	3.6
101.75464	1.9
113.02338	2.5
115.23358	2.1
161.04491	3.6
163.27803	2.1
195.01184	2.7
195.17633	2.2
208.38724	2.6
209.25647	2.3
217.85155	2.0
221.19075	3.2
223.20680	100.0
224.21051	5.8
267.10889	2.5
267.19696	76.5
268.20065	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	267.0728
Annotation	Inosine
Peak:m/z	Relative Intensity
53.17215	0.3
57.03333	1.4
59.01262	10.2
69.03342	0.5
70.55762	1.3
71.01272	16.6
71.05718	0.3
72.99208	1.8
73.02857	0.6
73.84286	0.4
75.00769	7.8
83.01273	0.5
85.02844	15.8
87.00777	7.2
89.02335	5.8
91.03882	0.6
95.01277	3.3
96.96880	0.7
98.20512	0.4
99.00782	5.0
101.02354	1.1
103.00291	2.3
111.00842	0.5
112.01591	1.0
113.02358	31.3
115.00287	0.9
117.01849	1.8
129.01884	1.5
131.03433	0.9
149.04472	0.6
156.04256	0.4
157.01424	0.5
170.75833	0.4
175.02452	1.6
191.05545	0.5
196.47057	0.4
205.07172	0.8
207.05115	1.3
249.06209	4.2
267.07269	100.0
268.07556	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	267.0668
Annotation	Formononetin
Peak:m/z	Relative Intensity
59.01299	0.8
64.84922	0.3
70.44090	0.6
71.01290	0.2
73.02847	0.4
91.01772	1.2
94.30756	0.2
101.35194	0.2
106.67416	0.2
108.02099	0.4
113.02359	0.2
132.02094	7.7
132.06996	0.2
133.02451	0.4
135.00790	2.6
137.09644	0.2
153.01871	1.0
167.04985	0.3
180.05759	0.5
195.04474	5.5
196.05138	0.7
208.05278	3.7
223.03998	18.0
224.04756	5.7
225.05115	0.2
239.03465	0.4
241.20296	0.2
251.03522	12.5
252.04305	100.0
253.04628	7.1
253.07298	0.4
267.06668	98.8
268.07007	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	267.0727
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
51.47641	0.7
57.03335	5.7
58.00474	1.0
58.98154	0.8
59.01263	29.8
69.03374	1.0
70.38496	2.3
71.01270	37.5
72.99191	3.7
73.02847	3.9
75.00764	13.9
77.40047	1.0
83.01266	1.5
84.02035	1.4
85.02842	33.4
86.12973	0.9
87.00775	25.5
88.03920	2.0
89.02337	15.2
89.04270	0.9
91.03919	1.6
95.01299	5.5
99.00783	9.1
100.87212	1.0
101.02362	4.6
103.00280	2.5
113.02360	41.6
115.00254	1.8
117.01848	3.1
119.03432	1.0
129.01842	3.2
131.03357	1.4
132.02986	2.2
133.03221	1.1
133.83821	0.9
157.01350	1.1
161.04485	1.9
175.02437	2.4
179.05441	1.0
201.58299	1.1
205.07062	1.2
207.04971	1.8
231.02591	0.9
249.06177	5.2
267.07260	100.0
268.07693	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	265.1815
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
50.16616	0.4
50.62999	0.4
57.03326	0.8
59.01262	8.7
69.03349	0.9
71.01267	0.6
71.51650	0.7
72.99200	0.8
75.09058	0.4
79.95652	1.6
83.04887	0.9
85.02869	0.7
95.95139	0.6
96.95913	100.0
101.02322	0.8
111.08070	3.1
123.08131	0.5
125.09641	1.7
135.04430	0.5
158.01451	0.5
163.03938	0.6
163.14847	3.8
201.16478	0.5
219.17470	2.1
224.14268	0.5
247.16936	0.6
265.14871	89.5
265.18152	84.1
266.15198	6.9
266.18481	4.9
284.98047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2179
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
50.08054	0.8
59.01267	1.2
59.64839	0.8
61.38692	0.8
71.10120	1.5
73.15658	0.7
90.51739	0.7
91.23463	0.7
92.05527	1.0
92.73288	0.8
96.95931	1.3
265.21780	100.0
266.22083	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	267.0669
Annotation	Formononetin
Peak:m/z	Relative Intensity
59.01262	2.3
63.44014	0.3
66.16888	0.3
67.81659	0.3
69.00294	0.3
71.01308	0.8
71.56133	0.3
73.02884	1.0
75.00793	0.4
85.02872	0.4
87.00782	0.3
89.02352	0.7
91.01848	1.0
97.72653	0.3
101.02363	0.5
113.02362	0.7
123.08019	0.3
123.67528	0.3
132.02103	8.8
135.00816	2.7
141.98134	0.3
153.01892	1.6
167.05042	0.5
175.39999	0.3
180.05782	0.6
195.04469	6.4
196.05031	0.5
205.01350	0.3
208.05269	3.4
210.47475	0.3
223.04012	18.2
224.04741	5.5
239.03503	0.5
249.14906	0.6
251.03526	12.9
252.04317	100.0
253.04677	6.6
267.06674	97.0
267.12634	0.5
267.16132	1.5
267.19507	0.6
268.07025	7.5
268.09961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0933
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
51.90184	0.3
53.48597	0.4
53.59734	0.4
55.01778	0.4
57.03337	2.2
57.42618	0.4
58.00474	1.5
59.01263	31.9
59.93309	0.3
60.10016	0.4
62.67250	0.3
70.68894	0.4
71.01270	17.8
72.99196	2.6
73.02825	1.0
81.03350	0.6
83.01304	1.2
85.02840	16.7
87.00754	2.2
89.02337	17.4
95.01263	1.3
97.02842	0.5
101.01699	0.8
101.02345	10.7
103.03915	24.5
104.04276	0.5
113.02365	6.7
117.05503	2.0
119.03415	6.4
131.03430	0.8
135.04776	0.8
145.04982	0.8
149.04433	0.5
161.04478	0.6
179.05548	1.2
214.64304	0.4
265.09332	100.0
266.06839	0.7
266.09650	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	265.0932
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
57.03319	3.5
58.00475	1.6
59.01266	51.0
69.61094	3.5
69.61518	4.0
71.01271	24.8
72.01654	1.1
72.99203	3.7
83.01302	2.2
83.72475	1.0
85.02839	27.1
87.00781	2.4
89.02339	23.4
95.01273	2.4
98.19826	1.3
98.95261	1.1
101.02346	15.6
103.03913	35.9
113.02360	10.9
117.05473	4.2
119.03416	10.1
129.01881	2.4
132.02989	1.7
145.05063	1.3
161.04443	1.7
222.75368	1.0
248.63359	1.2
255.12654	1.1
265.09332	100.0
266.09729	4.3
281.17618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2022
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
50.67204	0.5
53.85661	0.5
59.01254	2.1
70.34874	2.0
79.90501	0.6
87.99764	0.7
98.19856	0.6
131.80132	0.6
187.58960	0.7
219.21239	0.9
222.49806	0.6
261.18716	0.7
263.20212	100.0
264.20547	7.8
283.86115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	3.6
60.69820	0.6
70.02870	20.7
71.01270	6.2
72.00795	1.2
91.05432	5.4
96.99209	5.9
98.19836	1.5
98.90543	0.7
109.96548	0.6
114.01881	100.0
115.02216	1.8
117.03364	7.3
117.07041	1.2
129.01828	6.0
134.06046	25.2
135.04388	0.7
144.08116	1.9
146.04515	4.9
146.06042	1.5
160.07626	4.1
188.07173	4.4
232.06168	14.2
233.06583	1.2
281.15588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96637	0.2
59.01265	100.0
60.01596	1.2
62.71568	0.2
69.22872	0.5
69.23290	1.8
71.01258	0.4
73.02825	0.7
79.56116	0.2
101.02328	0.4
103.46735	0.2
103.96069	0.2
112.28589	0.2
249.98399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07616	0.2
59.01264	100.0
60.01604	0.7
63.42500	0.2
70.11618	1.0
71.01274	0.7
73.02852	0.7
85.87212	0.2
88.41750	0.2
90.00684	0.2
101.01000	0.2
101.02342	0.5
113.02366	0.3
115.63214	0.2
161.04369	0.2
239.98302	0.3
263.13150	0.3
263.16669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1294
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
52.42733	2.1
57.01947	2.1
57.03351	4.1
57.97320	2.1
59.01266	84.9
60.01597	2.1
60.48738	2.2
69.03346	2.3
71.01273	9.5
71.04906	3.5
71.51255	2.1
71.51657	2.2
73.02848	2.7
79.05437	2.0
83.04922	5.9
85.02872	3.2
93.03337	2.9
95.04888	4.4
97.02844	11.5
101.02356	2.8
107.04916	4.1
108.05713	7.4
109.02878	7.7
109.06503	4.3
111.04432	11.9
113.05995	10.6
118.96765	2.1
119.08592	7.9
119.55692	2.1
121.06502	4.1
122.03680	9.8
123.04498	3.1
123.08054	8.0
125.06001	15.6
127.59588	2.3
133.69263	2.3
136.05222	17.6
137.05989	7.5
138.06799	19.3
139.07584	38.0
148.05238	8.4
149.06015	5.8
151.03957	3.8
151.07594	88.3
152.04720	6.8
152.08372	42.8
153.09227	10.9
159.11752	5.9
161.04469	2.8
161.09682	8.6
163.07617	15.8
185.09642	2.8
186.10359	3.4
189.09175	5.3
194.05675	2.8
201.12828	33.6
202.13062	2.5
203.10788	22.5
204.11536	69.4
205.11763	4.1
219.10597	3.8
219.13899	100.0
220.14235	6.1
248.07198	2.1
249.49504	3.0
263.12970	25.4
263.15628	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	263.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75407	0.4
59.01264	100.0
60.01589	1.0
61.83072	0.4
71.01286	1.1
71.55911	0.7
73.02859	0.7
81.81248	0.4
83.01310	0.4
85.02868	0.5
101.02355	1.3
113.02315	0.5
116.70759	0.4
134.11420	0.4
157.79337	0.5
161.73367	0.4
162.55829	0.4
263.05530	0.5
263.09061	0.5
263.13226	0.6
263.16650	0.9
263.20245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77918	0.4
57.06806	0.4
59.01264	100.0
60.01598	1.3
66.07649	0.4
70.90637	1.1
71.01270	0.9
73.02865	1.1
87.40519	0.5
101.02386	1.3
110.26887	0.4
113.02320	0.5
113.43052	0.5
146.68367	0.5
149.02434	0.4
161.04507	0.4
163.07721	0.4
192.16426	0.5
263.13196	0.9
263.16614	1.1
263.20349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75660	0.3
59.01265	100.0
60.01614	1.0
60.38028	0.4
71.01272	0.9
71.51378	0.7
71.75420	0.4
73.02847	0.8
79.01864	0.5
85.02895	0.4
86.79264	0.4
89.02353	0.5
101.02351	0.7
119.25789	0.4
135.04486	1.3
135.20695	0.4
219.13846	0.4
263.09515	0.5
263.14212	2.4
263.16577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16098	0.3
59.01265	100.0
60.01604	0.8
63.29520	0.3
71.01273	0.5
71.53979	0.3
71.54375	0.3
73.02842	0.8
99.63110	0.3
101.02342	0.8
166.75931	0.3
196.25598	0.3
206.88998	0.3
263.13126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46745	0.6
59.01263	100.0
69.85870	0.7
70.82857	2.1
73.02834	0.8
94.43298	0.7
94.52484	0.8
125.27361	0.7
140.98073	0.6
207.03226	0.8
226.89537	0.8
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	Methylripariochromene A
Peak:m/z	Relative Intensity
59.01252	3.2
66.71756	0.9
66.72085	0.7
71.01269	1.4
71.53966	1.1
87.00759	0.8
98.26100	0.8
112.65543	0.7
118.07831	0.7
119.04948	2.1
125.09677	1.1
147.04459	5.5
157.10777	0.8
159.04483	2.3
177.01813	0.7
185.09703	1.7
187.07605	2.7
187.09676	2.7
191.03424	1.6
201.09178	16.0
202.09985	25.7
203.10313	2.1
205.08652	5.5
207.10225	2.2
217.12325	13.4
229.08765	1.2
245.08182	4.6
246.09006	37.3
247.09364	2.7
261.11359	100.0
261.22290	2.3
262.11713	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	262.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34146	1.7
57.03312	2.4
59.01260	5.7
68.89885	1.7
69.03319	3.0
70.02863	2.5
70.18595	4.4
71.01244	3.4
77.05842	1.7
85.02847	42.7
87.04414	5.2
96.04452	100.0
96.05080	4.7
96.79458	2.0
97.02835	6.2
98.02332	3.1
99.00789	4.3
101.02332	2.1
101.42263	1.7
110.53711	1.8
115.03918	3.6
120.95142	1.8
128.03445	5.5
129.01859	11.4
140.03426	3.9
141.01836	4.0
142.01379	21.3
158.04546	17.2
166.66687	1.9
170.50346	1.7
202.03566	5.8
219.05118	2.3
262.05786	3.6
279.74075	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	262.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38256	1.6
53.70852	1.5
57.03326	4.3
57.78806	1.5
59.01261	3.8
60.38222	1.7
64.38261	1.4
66.76088	1.4
69.03349	4.9
70.02862	4.7
70.41064	5.4
71.01269	4.8
85.02847	57.6
87.04414	5.7
93.45897	1.7
96.00824	1.6
96.04453	100.0
97.02839	9.5
97.04791	2.0
98.02390	1.9
99.00774	6.5
99.99964	1.6
111.04387	1.9
112.03979	3.6
115.00278	2.2
115.03918	3.5
123.79195	1.6
128.03464	6.4
129.01886	13.2
129.20897	1.4
140.03468	5.9
141.01857	4.9
142.01396	28.0
144.02914	2.2
158.04559	22.3
159.02969	3.8
165.03993	2.6
172.02463	5.3
198.28908	1.8
202.03610	8.2
262.05902	8.7
263.05673	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	259.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31466	0.6
59.01255	1.4
61.98705	1.1
71.52011	1.1
75.11773	0.6
77.10953	0.6
78.95770	0.7
80.02554	2.3
81.03338	0.9
83.02369	0.6
83.04912	5.4
84.02065	3.1
95.04954	0.7
98.34420	0.7
102.97240	0.6
125.06046	0.7
163.11232	3.9
165.12801	2.7
181.12337	1.0
191.10768	1.3
209.11816	100.0
210.12199	5.6
227.12894	13.4
228.13087	0.8
231.02930	0.7
259.02548	2.1
259.06042	1.2
259.09857	1.0
259.15646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1297
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
59.01234	0.6
68.99698	0.3
82.06485	0.6
91.05409	0.4
93.03332	1.0
98.20567	0.7
105.03368	0.5
106.04146	0.6
108.02078	0.5
117.03384	1.4
119.04948	0.7
121.02872	27.4
122.03199	0.6
129.90535	0.2
131.04887	0.4
133.02875	1.9
134.03664	12.8
135.04379	1.2
145.05264	0.5
146.03639	0.3
147.03323	0.5
147.04462	5.4
148.05298	1.7
149.06087	1.6
149.07042	0.3
153.36258	0.3
160.05205	0.3
160.07642	0.3
161.02403	2.9
161.04732	0.7
162.03094	1.0
162.05504	0.9
172.05286	0.3
173.06020	0.8
174.01900	0.3
176.07100	0.9
180.06583	0.3
187.07730	0.3
188.03447	0.5
189.04266	1.4
189.09076	0.3
190.05083	4.6
191.05844	5.7
203.05891	0.5
204.06416	0.4
206.08189	1.2
211.13329	0.4
217.11002	0.6
217.34242	0.3
235.92108	0.3
244.09850	0.6
245.10596	100.0
246.10948	6.9
260.12964	71.9
261.07846	0.6
261.13385	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	259.0229
Annotation	D-Allulose 6-phosphate
Peak:m/z	Relative Intensity
57.03325	0.6
59.01272	1.2
70.67086	1.7
71.01275	1.5
74.02367	3.3
75.00748	0.8
75.49251	0.5
78.95792	100.0
82.02892	0.7
83.01259	0.7
84.00809	0.7
84.18409	0.6
85.02849	2.5
87.00760	0.5
87.05533	4.2
87.61605	0.6
90.88685	0.5
94.02859	0.8
96.04456	3.8
96.95889	1.0
96.96864	27.8
97.02856	0.6
98.02402	1.2
99.00815	0.6
101.02309	0.7
108.83463	0.6
110.02376	0.6
112.03952	1.9
113.02360	1.2
122.02435	0.8
126.01846	0.8
136.03998	0.6
138.97946	1.3
142.01349	0.9
154.05049	1.6
166.01323	0.7
174.81931	0.6
185.47021	0.6
197.05701	2.0
213.05162	4.2
216.05199	1.0
222.98590	1.1
241.01074	1.2
241.04770	3.1
259.02298	46.4
259.05521	3.2
260.02423	0.9
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
57.03325	0.6
59.01272	1.2
70.67086	1.7
71.01275	1.5
74.02367	3.3
75.00748	0.8
75.49251	0.5
78.95792	100.0
82.02892	0.7
83.01259	0.7
84.00809	0.7
84.18409	0.6
85.02849	2.5
87.00760	0.5
87.05533	4.2
87.61605	0.6
90.88685	0.5
94.02859	0.8
96.04456	3.8
96.95889	1.0
96.96864	27.8
97.02856	0.6
98.02402	1.2
99.00815	0.6
101.02309	0.7
108.83463	0.6
110.02376	0.6
112.03952	1.9
113.02360	1.2
122.02435	0.8
126.01846	0.8
136.03998	0.6
138.97946	1.3
142.01349	0.9
154.05049	1.6
166.01323	0.7
174.81931	0.6
185.47021	0.6
197.05701	2.0
213.05162	4.2
216.05199	1.0
222.98590	1.1
241.01074	1.2
241.04770	3.1
259.02298	46.4
259.05521	3.2
260.02423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63819	1.7
57.12087	1.4
58.36900	1.3
59.01265	3.6
67.23731	1.7
71.29520	1.3
71.52806	2.2
72.00806	8.6
75.85963	1.5
78.95814	2.2
79.92383	1.7
80.37292	1.4
86.02371	42.4
92.04958	37.5
116.04973	40.6
129.05772	2.5
138.85089	1.5
142.06596	14.3
143.06038	1.7
144.08087	6.0
154.06595	3.1
155.59816	1.5
156.06836	3.9
169.07655	9.6
171.09233	41.4
172.09523	1.7
215.08263	100.0
216.08571	6.6
259.07300	21.5
260.07391	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	253.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90662	0.5
51.52168	0.4
52.32484	0.5
59.01264	100.0
60.01604	0.8
70.70310	1.3
71.01273	1.6
73.02850	1.4
82.17931	0.5
85.02838	1.4
87.00786	1.1
97.02858	1.0
99.00810	1.6
101.02338	2.3
113.02425	0.6
114.94179	0.5
125.02411	0.9
131.99895	0.6
141.01921	0.7
161.04485	5.4
193.07153	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	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53913	0.3
54.00623	0.3
59.01266	100.0
59.88101	0.3
60.01606	1.0
61.43979	0.3
69.96793	1.8
71.01276	0.8
73.02837	1.2
78.44267	0.4
85.02858	1.2
85.44568	0.3
87.00787	1.3
97.02846	0.4
98.19846	0.4
99.00793	0.8
101.02348	2.2
113.02361	0.5
117.01968	0.4
141.01927	0.6
161.04501	6.4
191.05550	0.5
193.07155	27.4
194.07526	1.5
253.21751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	7.7
59.01264	20.7
59.49205	1.7
61.01682	5.9
71.43475	2.3
72.99199	42.4
75.00762	3.3
87.00762	3.7
93.03371	11.4
99.00746	2.0
106.04140	1.9
107.04951	10.9
119.04933	4.8
121.02873	2.6
123.04441	19.1
131.04950	3.0
133.02855	7.3
135.04416	3.5
147.04401	4.0
149.06013	9.9
165.05521	70.8
166.05833	3.1
179.03468	16.4
180.60728	1.8
192.90971	2.0
193.05052	14.4
195.02965	2.1
195.07640	2.4
228.26447	2.3
255.05133	100.0
255.23328	18.0
256.05548	8.9
256.49036	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	255.0514
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
51.49170	0.7
53.52385	0.8
58.00488	5.4
59.01262	3.0
62.90651	0.7
67.35194	0.9
69.58027	3.6
69.58451	2.1
72.99199	49.2
75.00778	1.8
75.28829	0.8
87.00780	3.8
91.01782	0.9
93.03365	9.7
97.80033	0.8
98.19835	1.5
99.00777	3.8
100.01229	0.8
106.04162	3.0
107.04938	16.6
108.02054	1.9
119.04916	3.2
121.02864	3.7
123.04439	7.4
131.04956	2.2
133.02884	6.7
135.04440	5.2
137.05952	1.4
147.04472	5.5
149.06032	11.6
163.03960	2.3
165.05525	100.0
166.05852	5.1
175.03984	2.1
179.03467	30.3
180.03816	1.5
193.03339	1.6
193.05043	25.9
194.05385	1.0
195.02945	0.9
209.04564	1.5
211.06178	1.9
255.05141	86.0
255.23383	0.8
256.05499	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	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	0.9
69.03341	0.5
71.01271	1.4
72.99206	0.3
73.02835	1.5
83.01286	0.7
85.02851	1.8
87.00775	1.7
97.02868	0.6
98.19743	0.6
99.00777	1.7
101.02346	2.2
115.03987	0.4
119.01412	0.3
125.02387	0.7
141.01921	0.7
150.51488	0.3
155.03534	0.5
161.04514	5.3
165.05527	0.5
193.07156	21.6
194.07538	1.3
208.07394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69828	0.3
59.01265	100.0
60.01605	1.4
62.60054	0.3
66.03067	0.3
71.01278	0.9
71.11080	0.8
73.02849	1.5
75.00799	0.4
81.03352	0.4
83.01292	0.6
85.02854	1.8
87.00799	1.2
97.02863	0.4
99.00803	1.2
101.02339	1.9
122.82371	0.4
125.02412	0.4
141.01889	0.7
155.03500	0.4
161.04492	4.6
188.14558	0.3
193.07149	18.4
194.07536	0.7
230.24251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01603	1.7
63.42804	0.4
66.57132	0.3
71.01273	1.0
71.04451	0.9
73.02843	0.8
74.95613	0.4
83.01304	0.5
84.34435	0.4
85.02854	0.7
87.00756	0.6
94.33350	0.4
97.02872	0.5
99.00790	1.1
101.02361	1.3
141.01900	0.5
161.04488	6.1
174.25031	0.5
193.07152	33.2
194.07512	2.2
253.09178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01600	2.4
65.65334	0.7
69.36091	0.8
69.86437	1.9
69.86850	3.2
71.01302	0.9
85.02829	0.9
85.52614	0.9
101.02349	1.5
158.18709	0.8
161.04498	5.5
166.45367	0.8
174.04547	0.9
193.07156	34.6
194.07481	2.0
253.09293	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	253.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01606	1.4
60.40764	0.6
62.79591	0.7
65.70932	0.6
66.57935	0.7
68.62309	0.8
70.19459	2.2
73.02842	1.5
85.02846	1.9
87.00790	1.2
97.02871	0.9
99.00836	1.1
101.02379	2.6
125.02390	1.2
160.46970	0.7
161.04495	6.9
193.07146	20.1
193.08823	1.0
194.07529	0.8
236.05783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1864
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.43733	0.5
59.01266	4.8
66.66954	0.6
70.91791	0.9
70.92127	0.9
71.01264	0.6
83.04912	0.7
121.02848	0.5
135.04408	0.8
161.02377	0.6
164.67564	0.5
205.12576	0.5
205.15953	3.8
205.19464	1.0
229.62585	0.6
231.17564	1.1
243.80325	0.5
247.17038	0.6
249.11555	1.7
249.15016	6.4
249.18626	100.0
250.14551	11.4
250.18919	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	250.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77900	0.4
59.01263	2.1
60.55343	0.4
69.51727	1.9
69.52145	1.3
70.02893	0.4
71.01270	5.8
72.22204	0.4
77.26585	0.4
77.92392	0.5
84.02045	1.1
88.03934	66.9
89.04257	1.0
91.05430	1.9
99.04438	0.7
110.86991	0.4
114.01893	5.3
115.00290	12.8
116.33987	0.5
132.02959	100.0
133.03291	1.9
134.06071	0.8
135.04445	5.2
206.08188	2.3
232.06224	1.0
250.07248	25.0
250.14554	1.3
251.07553	1.6
258.91135	0.4
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
50.39748	0.3
50.46550	0.4
58.00166	0.3
59.01274	1.8
59.08786	0.3
68.45380	0.3
69.27772	0.3
70.02863	1.0
70.28081	0.3
70.80505	0.8
71.01266	6.8
72.00781	0.4
88.03932	85.8
89.04276	1.4
91.05431	2.5
114.01867	4.5
115.00284	14.7
127.37050	0.3
132.02951	100.0
133.03310	2.0
134.06044	0.6
135.04443	5.7
181.51257	0.3
206.08163	2.6
210.87621	0.3
232.06120	1.1
250.07233	29.0
251.07544	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	249.15
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
57.03324	1.8
59.01266	11.7
61.98714	2.0
64.37283	0.7
69.03349	25.9
71.01260	1.2
72.70101	0.8
76.11204	0.9
83.04913	2.5
95.04905	2.2
97.06490	1.7
106.04130	1.0
109.06518	1.3
111.08070	1.0
119.04955	1.3
121.02850	1.0
121.06498	1.2
126.83909	0.8
134.07291	2.0
135.08107	1.1
149.13303	1.9
151.11157	1.0
161.13289	1.1
167.10742	3.4
179.10733	1.2
187.14908	3.8
191.10896	1.0
193.12331	5.6
205.12347	8.8
205.15982	10.1
221.15477	14.4
230.08478	1.0
231.13905	25.8
232.14308	1.9
248.58417	0.8
249.04022	1.1
249.14996	100.0
250.15045	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	248.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.6
64.14967	0.4
67.07653	0.5
69.46502	4.1
71.01258	0.6
102.05528	4.3
108.01966	0.6
117.03372	1.0
118.04102	0.5
119.04940	100.0
120.05281	3.3
127.05057	2.0
128.03456	5.8
135.04440	8.5
144.04480	0.6
145.02892	4.5
146.06122	0.6
162.05577	0.7
176.03516	0.7
178.15443	0.6
235.89650	0.5
248.09299	11.3
249.09921	0.9
249.12422	2.4
249.14719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1499
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
50.03666	0.4
59.01268	3.4
62.58963	0.4
64.01971	0.4
71.04895	0.6
71.53813	0.5
75.00778	0.4
85.02844	0.7
91.13293	0.5
94.04131	0.5
97.06470	1.0
101.02317	0.7
117.03373	0.5
121.06510	0.6
132.03001	0.5
133.06537	1.2
135.04443	25.3
135.08076	1.8
136.04816	1.0
137.09651	10.8
138.09940	0.7
148.05235	0.6
161.02339	0.9
177.12802	4.9
187.11174	0.5
189.12811	21.3
190.13177	1.5
203.14461	3.4
205.15959	87.2
206.16324	8.0
207.11375	1.4
219.13913	2.9
221.11661	0.5
249.12457	29.4
249.14995	100.0
250.12578	0.9
250.15190	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	243.1968
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
51.87528	0.3
52.18661	0.3
54.31808	0.3
54.59785	0.4
55.01772	0.4
63.40964	0.3
65.95892	0.3
67.73291	0.3
70.84550	0.7
92.98851	0.3
95.91361	0.3
110.02373	0.4
169.15936	1.1
195.17543	4.2
197.19086	61.8
198.19441	5.7
225.18633	1.6
241.18222	0.8
243.19684	100.0
244.20024	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	247.1707
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.11485	0.1
54.06716	0.1
55.69867	0.1
57.03325	0.1
59.01255	0.6
83.83416	0.1
98.19747	0.3
121.02787	0.1
132.98146	0.1
165.01920	0.2
173.58273	0.1
174.99222	0.4
184.00189	0.2
186.95601	0.8
205.15881	0.2
207.13954	0.1
210.31688	0.1
220.16998	0.6
231.13979	0.3
247.17064	100.0
248.07991	0.4
248.17404	10.8
267.65302	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	248.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.5
71.06416	0.4
71.06762	0.2
74.36863	0.2
93.03346	0.3
102.05505	4.3
116.02496	0.2
117.03358	0.9
119.04941	100.0
120.04530	0.2
120.05276	4.7
128.03458	4.8
135.04451	2.7
145.02888	4.1
162.05565	0.6
179.89835	0.2
218.49081	0.2
229.00084	0.2
248.09306	7.3
249.09523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1241
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.01764	0.7
57.03327	1.2
59.01263	2.0
60.77174	0.3
61.98724	0.6
64.02675	0.4
65.01307	0.5
65.99718	0.4
68.35747	0.3
69.03331	0.4
71.01273	0.7
71.04910	3.2
71.59927	0.5
81.03336	0.6
83.04910	1.1
94.40202	0.4
95.38660	0.3
97.02851	5.2
97.06467	1.8
99.00784	20.8
100.01103	0.6
106.04054	0.6
109.02876	0.4
109.06516	1.7
110.02411	0.5
110.03642	1.6
123.08072	0.8
125.09635	6.4
127.11172	1.1
135.08089	1.1
136.05249	1.1
140.41010	0.4
142.02686	2.1
145.10193	0.6
153.12743	0.7
155.14346	1.8
161.09665	0.4
163.11232	9.0
164.11534	0.6
179.10724	0.9
181.12302	22.7
182.12631	1.4
195.06496	0.4
197.11801	1.4
199.07639	0.4
199.13377	20.2
200.13725	1.3
207.10251	45.3
208.10568	3.8
225.11322	80.3
226.11703	6.3
243.07106	4.4
243.12399	100.0
244.12762	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	243.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.6
61.98721	1.0
69.03300	1.0
71.56068	1.0
71.56429	0.8
93.05322	0.7
110.02401	1.8
120.92857	0.8
138.27602	0.7
144.69102	0.8
165.01891	1.0
181.12392	0.9
183.13919	7.5
184.14191	1.2
193.12280	1.8
211.13385	100.0
212.13744	9.5
214.06345	1.0
224.78862	0.9
225.11516	0.9
225.14766	1.0
229.07579	0.8
243.03001	2.0
243.06686	4.7
243.10318	2.1
243.12469	1.8
243.16014	2.7
243.19841	1.7
244.09801	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	243.1242
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.28691	0.4
59.01258	1.2
59.77035	0.4
61.98714	1.0
69.03358	0.5
70.80611	0.5
70.80959	0.9
71.04915	2.3
82.02830	0.4
82.03986	0.6
83.04917	0.7
97.02853	2.5
97.06491	1.1
99.00778	11.8
106.04038	0.5
109.06494	0.5
110.03626	0.7
111.04416	0.4
125.09650	3.5
134.03418	0.4
136.05232	0.8
142.02693	0.9
155.14348	1.2
163.10019	0.6
163.11243	4.8
169.12239	0.5
171.80240	0.4
181.12305	13.9
182.12610	1.0
197.11807	1.2
199.13385	23.1
200.13734	1.8
207.10260	22.5
208.10574	2.1
225.11340	43.6
226.11688	3.9
243.12411	100.0
244.12737	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	241.1085
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.20036	0.5
54.36428	0.5
57.03337	1.1
58.74419	0.5
59.01250	1.5
60.63261	0.5
61.98718	1.4
62.92027	0.4
67.01723	0.5
69.03341	3.1
71.01302	1.7
71.04912	4.9
83.04915	1.0
92.90289	0.6
97.06546	0.7
108.01997	0.6
116.98840	0.5
123.08088	0.9
125.09660	2.5
151.11229	1.8
153.12799	3.7
161.09595	1.2
174.15648	0.5
179.10718	7.6
180.11127	0.5
197.11807	100.0
198.12146	7.6
211.04070	0.9
213.05548	1.6
223.09711	3.0
241.05617	3.4
241.10832	96.4
241.21709	1.2
242.05492	0.7
242.11165	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	243.0624
Annotation	Uridine
Peak:m/z	Relative Intensity
50.22862	1.0
59.01254	3.6
66.03380	11.7
68.01291	2.3
69.03324	1.2
71.01273	2.6
71.50788	1.7
72.99212	2.1
77.92787	1.0
82.02874	25.2
83.94470	1.0
84.04453	1.2
85.02827	1.3
87.00794	1.4
89.02341	1.5
94.02876	2.4
96.04444	3.0
99.00799	1.3
108.04431	2.4
109.02784	1.1
110.02390	100.0
111.01911	6.5
111.02720	3.8
112.98722	3.3
117.01879	1.7
122.02409	8.3
124.03923	2.3
128.03447	1.5
137.02255	1.1
140.03487	12.5
142.99796	2.1
152.03485	17.5
153.02956	8.2
173.00911	2.7
182.04529	1.3
200.05635	37.2
201.05960	3.1
205.03487	1.2
243.06334	28.8
243.16074	1.9
244.06505	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	243.0666
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
59.01260	3.9
61.98705	1.9
67.01768	1.9
69.03346	56.3
71.55584	1.6
79.01786	4.7
81.03359	3.4
83.07391	1.7
85.02839	5.0
87.44920	1.5
93.03391	1.6
95.01292	12.8
97.02856	30.6
99.00830	2.6
107.01309	11.2
107.04980	1.7
108.02084	96.2
109.02888	36.3
110.02399	3.4
111.00780	2.6
121.02873	25.4
121.90902	1.5
122.03198	2.9
123.00802	11.8
125.02370	56.0
126.02691	3.3
135.00813	76.6
136.01152	2.8
137.02374	46.5
138.02716	2.2
150.75333	1.6
151.00314	4.2
152.01097	100.0
153.01491	5.6
158.40099	1.6
169.06540	6.0
173.63672	1.5
177.43362	1.3
181.12221	1.5
181.16003	1.8
197.06062	53.2
198.06389	3.4
213.05548	10.4
215.07153	10.9
225.11334	2.6
243.02832	3.2
243.06664	68.2
243.10289	2.9
243.12373	3.9
243.16035	5.0
243.19798	3.3
244.03033	1.5
244.07039	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	239.0564
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
58.00478	7.7
59.01265	10.4
61.26906	1.2
69.88953	6.5
70.05285	1.1
72.99197	100.0
73.99526	2.1
86.79581	1.3
87.00767	3.4
91.05428	67.6
92.05774	3.9
97.06577	1.2
106.04126	1.5
107.04931	10.3
110.42483	1.2
115.05448	12.6
117.03374	28.5
118.03677	1.4
119.04927	2.3
121.02831	1.6
131.04953	18.7
133.06522	15.7
134.06798	1.4
135.04451	5.3
147.04433	3.5
149.06021	94.5
150.06345	5.3
161.04480	1.4
162.62691	1.2
163.03961	22.5
177.05531	30.1
178.05807	2.2
179.03419	11.6
179.05537	3.6
191.44281	1.2
193.04973	1.8
195.06467	1.9
225.55931	1.3
239.05614	50.0
240.05971	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	239.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	1.5
59.01265	15.7
71.01272	0.9
71.06160	0.4
71.06512	1.1
72.99198	28.9
73.99522	0.6
75.00780	0.6
87.00781	5.1
89.02316	0.5
89.38983	0.4
91.05434	14.1
92.05759	0.6
93.03367	0.7
97.82120	0.4
98.83357	0.4
101.02393	0.7
106.04169	1.6
107.04927	8.7
108.05249	0.6
115.05473	2.8
117.03387	6.5
119.04933	0.9
121.02877	1.1
124.48881	0.5
131.04939	3.3
133.06519	10.1
134.06812	0.9
135.04460	2.3
143.44617	0.4
147.04478	2.0
148.62280	0.4
149.06023	64.3
150.06372	3.4
159.04445	1.1
161.04510	1.3
163.03951	14.6
164.04303	0.9
177.05530	29.9
178.05847	2.1
179.03458	25.9
179.05571	9.7
180.03819	1.7
193.05005	2.0
195.06641	3.7
196.06857	0.6
218.55362	0.5
221.04546	1.6
236.83662	0.5
239.05626	100.0
240.05946	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	239.0564
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
52.15591	2.0
58.00471	7.3
59.01263	10.3
70.48062	7.5
72.98786	4.1
72.99194	74.2
91.05434	50.0
92.05783	3.3
102.80286	2.0
105.59174	1.8
115.05418	7.7
117.03362	12.8
124.14021	2.0
131.04942	9.6
133.06508	7.1
135.04485	2.5
147.04413	4.2
149.06027	90.9
150.06361	5.9
163.03960	20.8
177.05501	22.6
179.03404	3.1
179.05608	5.0
239.05640	100.0
240.05959	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	237.0618
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
57.03337	2.4
59.01257	7.4
64.85474	0.8
65.69861	0.9
68.99707	1.1
70.64123	1.4
70.64504	2.3
71.01273	9.3
72.99179	4.4
73.02831	2.3
73.57949	0.9
75.00759	13.0
78.95782	4.0
81.15411	0.8
83.01299	0.9
85.02848	8.7
87.00771	100.0
88.01111	1.5
89.02331	2.7
96.96852	1.3
98.20419	0.9
99.00780	2.1
101.02349	3.3
111.00762	1.4
113.02371	3.6
117.01864	1.6
129.01848	16.0
133.01413	0.9
143.50946	0.7
147.02927	2.4
159.02910	0.9
174.69482	0.9
182.41338	0.8
193.03654	1.0
200.17317	0.9
237.06165	19.5
238.06148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	9.6
56.10635	1.7
57.03329	6.2
58.00472	2.4
58.88790	1.6
59.01265	74.2
71.01271	100.0
71.52757	2.4
72.01599	1.7
72.99188	5.5
73.02836	36.9
75.00765	5.2
78.81135	1.6
83.01273	19.3
85.02846	50.1
87.00780	6.4
89.02341	15.7
95.01291	8.1
97.02857	2.4
99.00774	13.8
101.02351	95.7
102.02718	3.3
113.01623	3.4
113.02364	41.8
119.03432	4.0
122.82957	1.5
129.01871	4.3
143.03362	3.4
159.02982	9.3
161.04515	40.7
179.05617	1.8
205.03496	2.4
219.89212	2.2
237.09842	31.1
238.09877	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28109	0.2
53.21070	0.2
59.01254	2.4
60.01592	0.4
65.15714	0.3
69.45901	1.2
69.46325	0.7
71.27522	0.3
93.03372	0.4
94.03699	0.4
101.02382	0.2
117.03381	0.4
119.04941	100.0
120.04504	0.4
120.05276	5.4
130.18703	0.3
144.04474	0.5
162.05508	0.4
164.06984	0.3
192.10240	1.0
234.11362	36.0
234.15906	1.0
235.11679	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	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	0.3
69.85122	0.8
71.01267	0.7
73.02831	0.3
75.00775	0.2
85.02839	0.3
85.10361	0.1
91.94044	0.1
92.69396	0.1
101.02351	0.6
111.04420	0.2
113.02348	0.2
123.04466	0.2
129.01855	0.2
134.03676	0.5
135.04424	0.4
136.05240	0.7
148.05241	6.9
149.05641	0.7
149.09666	0.7
159.08102	0.2
161.04482	0.2
162.06821	0.4
175.07542	0.2
176.08363	0.6
177.09169	36.8
178.09520	3.1
179.10808	0.2
190.09956	1.8
191.07098	0.3
191.10709	0.9
192.11531	29.2
193.11894	3.0
201.09192	0.5
203.07129	0.6
206.09528	0.3
217.08714	3.3
218.09471	7.6
219.09807	0.8
221.08339	0.2
226.68153	0.2
236.10550	100.0
237.10948	11.4
237.14960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20759	0.2
57.03345	0.4
59.01263	2.2
61.98711	0.7
70.91306	0.2
70.91664	0.5
71.01269	21.5
72.01598	0.4
72.99184	0.4
73.02830	0.7
75.00777	0.4
80.41256	0.3
83.01251	0.4
83.79391	0.3
85.02842	1.0
87.00761	0.7
89.02360	0.3
99.00825	0.4
101.02332	1.5
113.02354	0.7
115.00280	9.1
121.02872	100.0
122.03207	5.2
129.01865	0.4
149.06082	0.3
161.04507	0.9
169.05110	0.2
193.08607	0.3
207.03062	0.3
207.04936	0.3
210.07967	0.3
213.05061	0.2
237.04021	0.5
237.07825	0.8
237.09691	0.4
237.11577	0.5
237.14964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
59.01265	12.4
64.69683	3.4
71.01247	8.5
71.26424	7.7
72.99203	8.4
75.00769	10.3
75.95417	3.6
78.34000	3.8
85.02869	8.1
87.00771	100.0
89.02341	6.4
129.01851	22.2
133.01294	4.0
221.98599	3.5
237.06171	27.0
242.26306	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	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21674	0.2
56.21926	0.3
59.01266	19.0
60.01609	0.2
60.97389	0.3
60.99196	0.2
67.01768	0.8
69.66382	1.5
71.01267	0.4
74.98964	5.1
75.96158	0.3
76.53945	0.2
91.02122	0.6
91.04993	0.2
93.00034	2.7
93.03363	4.5
94.03735	0.3
99.00832	0.2
111.04430	0.6
118.96204	0.6
119.48254	0.3
134.99319	5.6
136.97260	1.8
141.07362	0.6
149.00899	58.5
150.00841	4.1
150.98814	0.7
159.08437	1.4
160.98859	0.2
161.06346	3.4
162.06639	0.2
167.01953	0.4
173.04510	4.9
174.04802	0.3
201.04147	0.2
210.79677	0.2
215.05656	1.2
217.07213	83.8
218.07368	8.5
233.10359	100.0
234.10522	13.0
234.15791	0.4
235.08214	0.5
243.18036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.3
60.01608	0.6
71.01275	0.3
71.28327	0.2
76.60011	0.2
82.71996	0.2
91.63938	0.2
91.69076	0.2
93.03358	0.7
94.03742	0.4
98.02386	0.3
98.19847	0.6
117.03407	0.3
119.04948	100.0
120.04524	0.3
120.05281	5.7
122.19552	0.2
132.05760	0.4
144.04506	0.6
160.04074	0.4
162.05588	0.6
173.04617	0.3
174.04935	0.6
182.58192	0.2
182.61232	0.2
186.09134	0.3
192.10292	0.9
216.10271	0.3
228.81015	0.2
229.21736	0.3
234.11391	39.3
234.15898	2.4
235.06209	0.3
235.11694	3.5
235.13797	0.3
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
55.01798	1.5
56.09092	1.0
57.03339	9.7
59.01264	100.0
60.01600	1.4
60.99195	1.8
66.51676	0.9
67.01772	4.6
68.99689	2.6
71.01267	31.4
71.15770	1.9
72.99196	2.0
73.02844	5.5
83.01283	6.3
84.51558	0.9
85.02835	7.4
87.00772	2.3
93.03354	11.2
98.19842	1.2
99.00769	10.7
101.02366	4.7
102.36379	1.1
111.00784	15.2
111.04414	1.4
118.46249	1.1
129.01857	23.9
145.01382	5.4
173.00832	2.7
173.04530	15.8
194.72032	1.0
198.33206	1.1
222.77502	0.9
233.15457	24.9
234.15823	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.87073	0.2
57.03337	1.5
71.04906	0.5
71.54530	0.4
82.26705	0.2
83.04914	0.5
83.47240	0.2
84.02023	0.3
85.02847	0.8
88.05486	0.2
90.93919	0.2
99.47758	0.2
101.05946	0.2
106.49527	0.2
118.61974	0.3
125.09660	2.3
126.59997	0.2
127.11205	4.1
155.14357	1.8
165.12743	0.5
167.14362	1.6
171.10225	4.3
172.10542	0.3
183.13835	1.3
185.11812	2.3
193.12318	0.3
201.14842	0.3
209.11816	2.5
211.13385	11.9
212.13741	1.2
227.12917	0.3
229.14455	100.0
230.14803	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03329	0.5
59.01263	0.3
61.98730	0.4
65.01312	0.3
71.02534	0.4
81.01013	0.3
89.73942	0.3
89.92612	0.3
96.49082	0.3
125.02358	0.3
145.02913	0.3
165.12762	0.8
167.14368	28.0
168.14717	2.2
185.06104	0.5
185.13240	0.3
185.15430	1.2
201.01791	0.4
211.13391	22.4
212.13693	2.3
222.60210	0.3
223.43265	0.3
229.05093	0.9
229.14461	100.0
230.14781	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	231.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.7
71.53359	0.5
71.53707	0.6
73.09182	0.4
78.50500	0.4
109.06541	0.4
115.54031	0.4
119.04953	0.9
131.04947	0.7
132.05733	67.9
133.06071	4.1
164.04738	44.3
165.05087	3.6
172.08926	0.7
176.04729	2.8
187.11253	100.0
188.11597	9.8
208.03777	2.5
216.04265	1.0
231.10278	83.5
232.10632	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.2
57.03337	7.4
59.01263	100.0
60.01599	1.2
60.99190	1.4
67.01775	4.8
68.77475	1.0
68.99693	2.6
71.01267	29.4
71.07358	1.5
71.62760	0.9
72.01640	0.8
72.99185	2.7
73.02840	4.8
73.06244	0.8
83.01279	7.2
85.02835	7.7
87.00777	2.0
93.03352	11.9
94.03732	0.9
99.00774	10.5
101.02308	1.8
111.00790	12.9
111.04391	2.1
112.91351	0.9
115.00269	1.1
127.00273	2.3
129.01865	17.9
173.00868	2.4
173.04510	14.8
174.04991	0.9
215.37331	0.9
233.06749	2.5
233.15479	33.6
234.09842	1.3
234.15800	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	229.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	12.3
59.01264	12.2
68.99713	3.4
69.03341	2.8
70.39953	5.7
70.40355	4.6
71.01271	29.4
72.99168	4.1
73.01056	3.8
73.02834	7.6
78.95798	4.9
79.21804	2.5
81.03371	2.4
82.02879	7.7
83.01285	13.7
84.04440	2.6
85.02827	15.7
87.00776	9.1
90.90979	2.3
95.04889	3.3
96.04453	26.9
97.06501	6.0
98.99018	3.8
99.00778	27.8
101.02368	3.6
102.05497	3.2
108.04466	30.5
111.00785	41.9
112.98722	98.6
113.99177	4.9
114.00099	75.8
114.05556	3.6
115.00260	6.9
123.08058	7.3
125.02378	4.4
129.01857	27.1
141.05505	12.2
141.09109	2.3
142.03259	100.0
142.99780	11.0
158.08133	8.7
173.00859	27.5
175.12399	2.4
186.02280	42.9
186.11336	2.4
187.06076	3.9
191.01920	4.9
207.40820	2.3
228.99437	13.8
229.01270	3.3
229.03317	4.0
229.05339	3.1
229.07237	8.5
229.10822	6.3
229.14395	4.6
230.01292	93.8
230.10349	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	229.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	12.3
59.01264	12.2
68.99713	3.4
69.03341	2.8
70.39953	5.7
70.40355	4.6
71.01271	29.4
72.99168	4.1
73.01056	3.8
73.02834	7.6
78.95798	4.9
79.21804	2.5
81.03371	2.4
82.02879	7.7
83.01285	13.7
84.04440	2.6
85.02827	15.7
87.00776	9.1
90.90979	2.3
95.04889	3.3
96.04453	26.9
97.06501	6.0
98.99018	3.8
99.00778	27.8
101.02368	3.6
102.05497	3.2
108.04466	30.5
111.00785	41.9
112.98722	98.6
113.99177	4.9
114.00099	75.8
114.05556	3.6
115.00260	6.9
123.08058	7.3
125.02378	4.4
129.01857	27.1
141.05505	12.2
141.09109	2.3
142.03259	100.0
142.99780	11.0
158.08133	8.7
173.00859	27.5
175.12399	2.4
186.02280	42.9
186.11336	2.4
187.06076	3.9
191.01920	4.9
207.40820	2.3
228.99437	13.8
229.01270	3.3
229.03317	4.0
229.05339	3.1
229.07237	8.5
229.10822	6.3
229.14395	4.6
230.01292	93.8
230.10349	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	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
59.01267	1.1
71.04926	0.5
71.59591	0.5
71.60027	0.5
76.32655	0.3
86.09739	0.3
93.03368	0.4
107.91780	0.3
121.45634	0.4
136.01633	0.5
137.02399	0.5
138.06883	0.3
139.11252	0.4
165.12823	1.5
176.73245	0.3
183.13864	100.0
184.14201	8.0
201.07707	0.5
209.11816	6.4
210.12221	0.6
213.68816	0.4
221.82996	0.4
227.03500	1.5
227.07144	1.8
227.12878	88.7
227.16548	2.5
227.20126	4.4
228.13203	8.2
228.15503	0.6
228.20514	0.6
238.41003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.31292	0.2
56.24184	0.2
57.03338	0.6
69.78722	0.4
69.79128	0.9
71.04917	0.3
83.04919	0.3
110.28786	0.2
111.08062	1.0
113.71442	0.2
153.06836	0.2
165.12802	20.3
166.13177	1.6
174.74117	0.2
181.12418	0.2
183.13870	100.0
184.14214	8.2
189.88345	0.2
191.10794	0.3
192.04190	0.2
209.11842	2.5
210.12186	0.2
212.06903	0.2
227.03563	0.4
227.12892	22.9
227.20169	0.9
228.13228	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
59.01260	0.4
61.03735	0.3
70.09575	1.4
71.04905	0.7
72.95638	0.3
80.02570	1.8
81.03352	1.9
83.04917	7.5
84.02065	4.3
93.04632	0.3
95.04930	0.8
99.04366	0.3
104.64112	0.3
111.08092	0.4
125.05965	0.9
135.08080	1.0
163.11221	5.0
164.11539	0.4
165.12778	3.2
181.12321	1.3
183.13959	0.3
190.92853	0.4
191.10753	1.3
199.13353	0.5
209.11815	100.0
210.12149	9.4
227.03471	0.5
227.07095	0.5
227.12904	3.9
227.16483	0.4
227.20164	0.8
228.13164	0.6
231.05852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0928
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
59.01245	0.9
67.36871	0.8
72.99198	100.0
73.99540	2.0
75.00756	4.7
88.03954	5.4
98.02357	0.8
109.02863	0.9
113.03545	0.8
113.05981	0.9
121.06470	0.8
132.02974	3.2
132.56262	0.7
137.02388	0.8
138.06790	1.7
139.07587	3.4
150.06802	0.7
151.07594	3.5
152.08380	4.0
153.09074	1.2
165.09201	4.1
167.03467	0.8
183.13829	0.9
209.08185	1.8
209.11757	1.8
212.04945	1.1
212.06966	2.2
227.09258	44.8
227.12813	1.8
227.16586	1.5
227.20172	3.5
228.09735	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	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.15017	0.3
57.03330	0.4
57.43375	0.2
59.01262	0.4
61.98713	0.4
65.01320	0.3
69.03324	0.2
69.22578	0.2
71.04902	0.5
80.02568	1.6
81.03352	1.7
83.01270	0.3
83.04915	6.2
84.02056	3.9
93.03309	0.3
95.04936	0.8
98.20685	0.6
106.57703	0.3
109.06518	0.3
113.61203	0.2
116.24451	0.2
125.05975	0.9
125.09595	0.6
135.08093	0.7
147.11815	0.3
153.12839	0.3
155.14403	0.2
163.11229	5.4
164.11626	0.5
165.12796	3.6
166.13129	0.4
167.21605	0.2
172.39326	0.2
179.70547	0.3
181.12296	1.0
183.14023	0.4
191.10750	1.7
199.13341	1.0
209.11816	100.0
210.12163	9.5
210.14204	0.3
227.03539	0.3
227.07188	0.5
227.09315	0.4
227.12877	4.5
227.16461	0.6
227.20187	1.2
228.13255	0.5
230.23994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.99912	0.8
56.15128	0.8
56.85444	0.9
57.03316	1.3
59.01264	10.5
67.83620	1.0
69.03344	7.3
70.46963	0.9
71.04906	1.3
71.28513	1.2
83.04916	1.4
85.06474	1.1
86.52850	0.8
86.94765	0.9
95.04919	1.3
109.06487	1.1
128.30981	0.9
133.10094	1.0
149.02341	1.2
149.09631	0.9
161.13283	1.3
166.06505	0.9
167.10788	6.8
177.12823	1.5
179.10699	3.0
179.14383	8.8
180.14774	1.3
193.01408	2.1
195.13884	26.1
196.14185	1.5
200.41805	0.9
205.12311	21.3
206.12712	1.6
208.03766	2.8
223.02750	2.6
223.13406	100.0
224.13757	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75460	0.3
59.01264	100.0
60.01604	1.5
68.99006	0.4
69.24740	3.7
74.27119	0.4
78.02183	0.3
81.03359	0.8
95.04925	0.4
95.80242	0.3
97.06493	2.8
104.42845	0.4
109.06537	0.4
135.08086	1.1
147.08073	3.2
153.12845	0.5
163.11212	0.6
165.09158	1.3
167.83864	0.3
181.12321	0.8
195.02928	0.3
195.06711	0.5
198.07881	0.4
207.10187	0.8
225.11328	38.0
226.11652	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	225.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	6.2
58.35731	0.6
59.01262	5.5
61.98724	1.0
64.77187	0.5
66.08811	0.7
71.01296	0.6
71.04910	0.9
83.04919	1.0
85.33492	0.5
93.03355	0.7
95.04906	1.0
97.06480	0.7
106.04050	0.6
109.06506	1.1
109.57798	0.6
111.04410	2.0
121.05338	0.5
122.03662	1.0
123.08088	1.0
125.02380	0.9
125.06001	4.1
136.05215	4.3
137.02356	1.3
137.06067	0.6
137.09657	4.6
138.06787	3.5
139.07594	2.7
147.08125	0.9
151.07571	4.4
152.00815	0.6
152.08369	100.0
153.09113	10.7
153.12788	2.0
155.09540	0.9
155.10735	13.0
156.10951	0.8
157.06088	0.6
163.00259	0.6
163.11237	18.1
164.11647	2.3
165.01892	1.6
165.09163	0.9
167.10684	3.5
169.08653	0.8
171.13820	0.6
172.05011	1.1
179.86150	0.6
180.04337	0.8
181.12309	2.0
189.12810	1.2
195.02824	0.9
195.06659	0.8
197.11826	1.7
207.13872	10.3
208.14288	0.9
210.05318	1.6
210.12607	25.9
211.12924	2.0
225.07666	2.0
225.11322	3.4
225.14960	81.0
226.15312	10.2
230.23921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99286	2.9
57.03336	14.5
59.01265	90.3
71.01281	21.6
71.58083	4.0
72.99198	19.7
73.02831	8.2
75.00759	13.9
77.16121	3.2
81.03352	3.1
81.23275	3.1
83.01277	10.1
84.02056	19.7
85.02838	100.0
87.00771	13.6
88.30665	3.2
89.02319	4.7
93.03345	3.5
95.01251	3.2
99.00755	8.8
99.04411	17.9
101.02354	19.5
103.03870	5.8
111.00790	46.7
113.02348	7.4
115.00272	3.5
121.02894	4.8
123.00777	3.8
125.02379	18.0
129.01866	47.2
130.02225	3.3
133.01321	3.6
137.02388	8.7
143.03415	8.0
147.02873	15.5
149.02441	4.5
161.04457	11.6
163.06035	5.4
165.01848	12.4
165.09149	4.1
169.49879	3.0
193.01433	35.4
194.01935	3.6
205.03510	68.0
208.03735	43.3
223.02762	4.0
223.04500	93.6
223.06131	10.7
223.08217	5.6
223.13416	7.0
224.04912	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	223.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69691	1.6
55.01759	2.6
55.95194	1.6
57.03337	13.5
59.01262	11.0
68.99705	2.0
71.01263	17.8
72.99194	15.4
73.02814	3.4
75.00754	7.3
81.03359	2.4
83.01280	6.7
84.00661	1.5
84.02061	17.0
85.02845	76.0
86.03159	2.0
87.00764	8.2
89.02364	2.5
99.00771	6.1
99.03855	1.9
99.04414	12.6
101.02328	8.1
103.00338	1.8
104.10442	1.7
111.00787	29.8
113.02320	2.0
115.00262	3.0
116.87334	1.6
125.02365	14.4
128.01147	2.1
129.01854	34.3
131.03418	1.8
133.01353	2.7
143.03429	5.6
147.02945	15.1
161.04518	7.9
173.35860	1.9
205.03506	56.9
206.03841	2.6
220.37651	1.7
223.04588	100.0
224.05023	8.3
230.90926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.6
57.03336	17.6
57.33550	0.8
58.00459	1.0
59.01264	28.6
60.56260	1.0
61.89276	0.8
67.01779	1.2
68.99690	2.4
71.01271	23.3
71.50722	1.6
72.01596	1.0
72.53286	0.9
72.99200	16.1
73.02839	9.5
74.64431	1.0
75.00768	10.8
78.95792	2.0
80.96404	1.5
81.03365	4.2
83.01279	10.5
84.02068	10.8
85.02843	100.0
86.03171	2.4
87.00768	8.8
87.02634	1.8
89.02338	4.3
91.02117	3.0
91.03899	2.2
95.01215	0.9
96.95905	0.8
96.96869	1.5
97.02857	1.0
99.00783	9.0
99.04421	5.6
101.02352	19.6
103.00253	1.2
103.03904	2.8
111.00786	46.6
112.01133	1.5
112.98724	3.6
113.02333	4.7
115.00256	1.1
117.01856	1.0
117.03730	0.9
120.99598	1.7
121.61838	1.0
125.02362	19.8
129.01860	47.0
130.02173	1.3
131.03410	2.4
133.01343	1.7
135.01128	2.9
135.04741	2.9
136.07639	1.1
137.03484	1.2
143.03421	3.8
147.02931	16.4
151.03888	0.9
159.02914	1.4
161.04497	6.7
165.01903	1.2
179.06996	0.9
187.02470	3.0
193.01389	2.3
205.03514	56.5
206.03912	3.6
208.03761	1.6
223.02843	4.3
223.04579	86.5
223.08197	5.8
224.02940	1.0
224.04814	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13284	0.2
55.01758	0.8
57.03310	0.5
59.01247	0.5
61.98718	0.4
65.00212	1.4
65.01321	0.5
65.99701	0.3
69.03345	0.6
69.39117	2.4
71.04910	0.6
81.03364	0.3
83.02380	0.5
83.04912	1.8
86.86150	0.2
88.97410	0.3
89.00224	7.0
91.02917	0.3
93.03364	0.7
94.04160	0.4
95.04933	0.7
97.06506	2.4
98.03635	2.2
99.08078	0.3
101.24352	0.4
106.03995	0.3
107.04947	0.9
111.08076	0.3
123.08020	0.3
125.02368	0.7
125.09653	0.5
127.11176	0.4
132.99283	0.4
139.11217	4.4
141.09142	0.4
141.12729	0.5
144.05603	0.3
145.05180	0.4
149.09677	0.6
151.11224	100.0
152.11566	7.8
154.01860	0.3
154.09834	0.3
160.05113	0.5
165.09142	0.9
167.10741	0.6
169.12286	3.7
171.06677	0.8
172.06360	0.5
173.04704	0.3
173.31635	0.3
176.98254	19.7
177.98563	1.4
183.10242	0.8
187.06242	0.7
194.99327	20.9
195.10210	1.6
195.99664	1.4
213.00366	8.8
213.02269	0.4
213.03481	0.4
213.05620	0.6
213.07599	0.6
213.09416	0.3
213.11293	3.7
213.14893	2.1
213.18646	0.9
214.00929	0.5
214.07338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.7
60.18658	1.5
61.09191	1.8
64.89620	1.6
71.01250	3.5
71.57894	2.6
72.99202	1.7
82.02880	3.7
85.02832	2.5
87.00777	2.1
88.03933	3.0
89.02306	3.8
96.04443	3.5
97.02831	2.3
98.02351	2.5
112.03955	2.1
114.05518	2.7
115.03934	13.1
137.02449	1.7
144.00858	13.6
144.06592	1.9
156.02975	14.5
161.00839	2.0
172.09789	2.4
179.05676	1.8
184.02512	2.0
198.07661	2.1
215.00977	100.0
215.12914	3.7
216.01357	8.7
216.05135	2.3
216.08775	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.8
61.98714	0.6
62.41634	0.3
69.03346	0.7
71.51232	0.3
71.51595	0.3
83.04917	0.9
95.01292	0.3
106.09044	0.3
125.02379	0.3
127.60152	0.3
139.03856	0.3
139.11165	0.3
155.10667	0.3
165.12759	0.5
167.10736	1.4
167.14340	1.8
183.13873	12.9
184.14220	0.8
193.12360	3.5
196.03741	0.5
211.13383	100.0
212.13721	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00956	0.6
59.01246	1.5
61.98714	1.3
63.92791	0.5
69.03375	0.6
71.01275	0.6
71.51903	0.6
71.52320	0.8
76.21794	0.5
84.02014	0.6
85.02859	0.6
95.01286	1.2
97.02863	0.7
113.72807	0.6
121.02876	0.8
123.04375	0.7
137.02333	1.2
140.07092	0.7
162.15051	0.6
166.02632	0.5
167.06079	1.3
167.10738	2.3
167.14359	1.7
181.01419	1.3
181.04968	0.6
183.13873	11.6
187.14088	0.5
193.12343	2.8
196.03711	1.4
203.48222	0.7
211.03987	1.0
211.06023	1.6
211.13380	100.0
212.13741	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	213.0557
Annotation	Diphenyl carbonate
Peak:m/z	Relative Intensity
55.90892	0.2
59.01254	1.1
61.98719	0.3
71.51248	0.3
73.27006	0.2
81.81915	0.2
83.04903	0.3
84.35465	0.2
85.02820	0.4
85.06466	0.3
90.97497	0.3
93.03359	100.0
94.03696	4.5
97.02847	0.5
97.06472	0.3
99.04391	0.3
113.45733	0.3
125.09622	0.4
127.11250	0.6
141.12845	0.3
151.11243	0.7
153.05653	0.3
169.06543	10.1
169.12302	0.6
169.15932	0.3
170.06877	0.9
183.13904	1.2
195.13916	1.6
213.01979	0.4
213.03726	0.4
213.05568	19.3
213.11414	2.0
213.14957	29.0
213.18495	1.2
214.01482	0.4
214.05876	1.7
214.08885	0.5
214.15332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
53.66920	0.5
57.03345	5.6
58.00466	1.4
59.01264	4.2
61.98721	3.1
69.03336	1.6
69.56129	3.9
71.01270	21.6
71.04901	2.2
72.99200	1.1
73.02835	1.3
75.00771	5.6
80.02572	2.4
81.03339	2.6
83.01272	3.8
83.04919	4.6
84.02073	3.4
85.02836	1.5
91.01790	0.6
93.03364	3.1
94.02891	0.9
94.40731	0.4
95.04919	3.7
96.95904	1.0
97.02863	1.2
97.06485	4.4
99.04403	1.3
106.04165	0.7
107.04933	1.3
108.02074	1.3
109.02893	0.5
109.06508	0.9
111.08057	3.3
111.50702	0.5
118.94077	0.9
119.04898	0.6
120.02073	0.8
121.02872	56.2
122.02381	0.8
122.03137	3.1
123.00788	0.8
123.08074	1.8
124.03955	1.8
125.02338	0.9
125.09645	8.9
126.09978	0.6
128.63673	0.5
134.03674	1.8
134.66011	0.5
135.04431	0.7
135.08055	2.0
136.01566	0.6
137.02385	1.3
137.06035	0.7
137.09654	1.2
144.00610	1.0
145.10123	2.6
147.11739	3.0
149.09669	1.4
151.03880	0.8
151.11226	26.4
152.11539	1.7
153.09149	1.2
153.12810	4.1
161.02406	1.5
161.09680	1.2
163.11237	10.2
164.11539	0.8
165.05475	0.7
165.09142	1.1
165.12801	21.4
166.13141	1.5
166.94154	0.6
167.10725	1.2
173.09683	3.5
176.04765	0.6
178.99799	0.8
179.03450	3.2
179.10732	6.8
181.05019	0.6
181.12305	54.2
182.12637	4.6
191.07028	0.7
191.10742	19.7
192.11089	2.4
194.02182	2.2
194.05861	2.2
209.04546	9.9
209.06595	3.8
209.11816	100.0
209.94910	1.1
210.04848	0.9
210.07635	0.5
210.12169	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	209.1181
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.01012	0.2
57.03334	2.5
59.01264	100.0
60.01604	1.5
65.01363	0.2
69.03326	0.2
71.01266	0.2
71.52005	0.2
72.99172	0.2
75.00760	2.1
76.55438	0.2
80.02583	0.7
81.03342	1.3
83.01268	0.3
83.04932	0.3
84.02057	0.5
85.02847	0.6
87.00797	0.3
87.50912	0.2
89.02350	0.2
89.10194	0.2
91.01780	0.2
93.03362	0.7
94.02908	0.2
95.04961	0.3
96.95917	0.3
97.06476	2.5
99.04431	0.6
101.53280	0.2
109.02867	0.3
109.06490	2.6
111.08022	0.2
120.02046	0.2
121.02870	15.5
122.02451	0.2
122.03242	0.8
123.00813	0.3
124.03983	0.6
129.01859	0.4
130.04066	0.3
135.04488	0.2
135.63437	0.2
137.02390	0.4
137.05975	0.3
149.02380	0.4
149.09671	0.3
151.03902	0.2
156.05637	0.5
161.02386	0.8
165.01976	0.2
165.05531	0.3
165.12794	3.5
166.02631	0.2
166.13196	0.4
168.82066	0.2
176.04756	0.4
178.99754	0.4
179.03424	1.4
181.05067	0.2
183.06718	0.8
194.02148	0.9
194.05925	1.0
209.01073	0.2
209.04533	2.9
209.06618	2.0
209.08354	0.7
209.11810	19.7
210.04918	0.3
210.07759	0.6
210.12186	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	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01776	2.3
57.03340	1.6
59.01273	1.2
61.98727	0.3
69.03345	1.0
70.93887	0.7
71.01266	0.7
71.04906	0.7
72.99181	0.3
75.00756	2.3
80.02567	0.7
81.03354	3.7
83.01280	26.4
83.04930	3.3
84.01603	0.8
84.02061	1.5
85.02836	0.4
87.00754	0.3
93.03368	0.8
94.02903	0.2
94.30958	0.2
95.01281	0.4
95.04929	1.6
97.02872	0.6
97.06496	4.3
98.06809	0.3
99.00765	0.4
99.04388	0.7
106.04148	0.5
108.02054	0.3
109.06496	0.6
111.08057	0.7
116.53004	0.2
118.94170	0.3
119.72827	0.2
121.02874	21.4
122.03195	1.1
123.04466	0.3
123.08074	2.3
124.03957	0.7
125.06072	0.4
125.09649	22.0
126.09976	1.2
134.03635	0.3
135.04567	0.2
135.08102	1.9
137.02336	0.3
137.06018	0.3
142.02684	0.4
147.11716	0.9
149.09644	0.4
150.03096	0.3
151.03934	0.4
153.12775	0.3
161.02458	0.5
161.09671	0.4
163.11237	9.2
164.11545	0.7
165.05458	0.3
165.09160	0.3
165.12807	3.3
166.13208	0.4
167.10704	0.5
172.73326	0.2
173.09680	0.4
176.04729	0.2
178.99754	0.3
179.03462	0.8
181.10860	0.2
181.12308	1.5
182.54916	0.2
191.10757	7.3
192.11063	0.7
194.02173	0.6
194.05927	1.1
209.04532	3.6
209.06567	1.6
209.11824	100.0
210.05008	0.4
210.12160	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78802	0.6
57.03332	3.9
59.00995	1.0
59.01263	12.9
61.77291	0.7
65.03857	0.8
67.01753	0.6
69.03343	21.6
69.87851	3.2
70.74337	0.7
71.01279	1.3
71.04906	4.0
74.87004	0.6
75.00746	7.0
75.38960	0.6
81.03351	1.3
83.04908	2.9
84.02055	1.1
89.02296	0.9
93.03356	3.3
94.02887	1.1
95.04910	2.5
97.06485	1.4
98.19860	0.9
99.04417	0.8
108.05752	1.4
109.06490	1.5
111.08038	4.3
117.06996	0.7
120.02074	0.7
121.02871	40.6
121.06483	0.6
121.10121	1.6
122.03201	2.1
123.00782	0.8
124.03959	1.7
127.07574	1.5
131.02434	0.6
135.08067	2.1
136.01566	0.8
137.02327	0.9
137.06070	0.7
137.09679	0.7
139.07573	1.1
147.11720	1.5
151.03928	0.9
153.09143	6.6
154.09439	0.9
161.02312	1.1
163.11203	3.2
165.09151	2.9
165.12796	19.4
166.02725	1.0
166.13109	1.8
169.50668	0.6
173.09660	1.7
176.04738	1.1
178.99780	0.9
179.03459	1.9
181.12302	22.3
182.12640	2.3
183.06731	0.9
191.08997	1.5
191.10748	29.0
192.11069	3.0
194.02139	2.4
194.05725	1.6
209.04538	7.6
209.06598	3.7
209.11818	100.0
210.12149	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	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
51.78802	0.6
57.03332	3.9
59.00995	1.0
59.01263	12.9
61.77291	0.7
65.03857	0.8
67.01753	0.6
69.03343	21.6
69.87851	3.2
70.74337	0.7
71.01279	1.3
71.04906	4.0
74.87004	0.6
75.00746	7.0
75.38960	0.6
81.03351	1.3
83.04908	2.9
84.02055	1.1
89.02296	0.9
93.03356	3.3
94.02887	1.1
95.04910	2.5
97.06485	1.4
98.19860	0.9
99.04417	0.8
108.05752	1.4
109.06490	1.5
111.08038	4.3
117.06996	0.7
120.02074	0.7
121.02871	40.6
121.06483	0.6
121.10121	1.6
122.03201	2.1
123.00782	0.8
124.03959	1.7
127.07574	1.5
131.02434	0.6
135.08067	2.1
136.01566	0.8
137.02327	0.9
137.06070	0.7
137.09679	0.7
139.07573	1.1
147.11720	1.5
151.03928	0.9
153.09143	6.6
154.09439	0.9
161.02312	1.1
163.11203	3.2
165.09151	2.9
165.12796	19.4
166.02725	1.0
166.13109	1.8
169.50668	0.6
173.09660	1.7
176.04738	1.1
178.99780	0.9
179.03459	1.9
181.12302	22.3
182.12640	2.3
183.06731	0.9
191.08997	1.5
191.10748	29.0
192.11069	3.0
194.02139	2.4
194.05725	1.6
209.04538	7.6
209.06598	3.7
209.11818	100.0
210.12149	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	209.0666
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
52.97519	1.8
57.03329	8.3
59.01265	13.0
69.80720	4.9
69.81127	6.3
71.01266	6.3
71.58331	2.2
72.99191	9.6
73.02831	2.4
73.06278	2.0
75.00765	100.0
83.01279	4.5
84.02059	19.2
85.02839	26.3
87.00774	13.4
89.02318	2.0
98.19820	2.5
99.04408	15.0
101.02319	7.4
111.00745	2.1
129.01895	14.2
141.01820	3.1
159.02921	3.8
161.04582	2.2
173.00967	2.1
185.19263	2.0
187.91580	2.2
191.05540	5.7
209.06651	78.7
210.07008	3.8
218.00064	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	209.0818
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
59.01252	4.5
71.51567	1.4
72.99187	2.6
74.36820	1.0
74.90775	1.2
75.00769	12.5
83.01263	1.3
84.02056	1.7
85.02825	2.8
87.00803	1.4
89.02356	1.1
91.01859	1.0
93.03357	2.3
94.02869	1.3
95.04926	1.1
96.38562	0.9
98.02398	2.2
99.04424	1.8
101.02332	1.8
105.03359	6.3
108.02106	1.2
109.02861	1.5
112.29498	1.0
115.44456	1.2
121.02871	46.2
122.03161	2.3
123.00779	2.4
123.04456	2.0
124.03948	2.7
129.01830	1.7
133.02881	3.2
134.03513	1.1
136.01524	1.3
137.05925	1.1
139.03908	1.0
145.31480	1.0
149.02342	1.1
149.06012	1.4
149.36247	1.0
150.03139	1.8
151.00262	1.3
151.03949	24.6
152.04451	1.3
161.02390	63.2
162.02730	4.4
165.05568	1.2
165.09152	1.4
166.02686	1.6
169.26418	1.0
176.04745	30.8
176.06290	1.7
177.01846	1.1
177.05077	3.4
178.99863	2.8
179.03456	100.0
180.03787	5.5
191.07089	13.9
194.02237	9.7
194.05820	95.0
195.02812	1.9
195.06157	7.0
209.00977	1.0
209.02757	1.3
209.04533	14.0
209.06604	5.9
209.08263	32.6
209.11491	5.0
210.05016	1.4
210.08514	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	207.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12038	0.9
57.03329	1.8
57.05856	0.7
58.02864	0.9
59.01265	100.0
60.01588	1.6
61.89872	0.7
65.01337	0.9
65.90503	0.8
65.93462	0.7
65.99734	1.7
69.23335	0.7
69.42294	2.5
69.42722	4.3
71.01261	4.4
72.99197	10.2
73.02826	1.0
75.00742	4.1
83.01257	1.5
85.02857	4.5
89.02406	0.9
91.02920	4.4
93.03365	1.8
94.02915	0.9
95.01268	1.1
97.03973	1.0
99.00771	2.3
101.02371	1.3
101.37619	0.9
107.02386	0.8
109.02814	1.4
110.02380	1.0
113.02349	2.3
118.03925	0.7
119.04942	7.9
121.02875	2.5
121.03941	1.9
121.67777	1.0
122.02393	1.0
123.04416	1.9
129.01883	8.3
134.03551	1.0
135.04439	2.3
137.02370	1.1
137.03441	1.4
137.09616	0.8
147.02982	3.6
147.04454	64.7
148.04771	4.5
149.02390	5.1
150.03067	0.9
163.00276	1.2
163.03964	2.1
164.04617	1.7
165.05521	55.9
166.05898	4.2
177.01891	20.4
180.04135	1.0
180.07863	0.9
190.06198	0.8
192.04257	21.5
193.04587	1.3
206.99348	1.1
207.01175	1.6
207.02895	4.4
207.04950	2.0
207.06738	6.9
207.08521	1.4
207.10239	2.7
208.03084	0.9
208.06398	1.4
214.30356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
53.32012	0.7
56.96760	0.7
58.02863	37.5
59.01265	5.1
69.55360	6.0
70.02870	13.1
70.03225	1.2
71.01272	0.9
72.00792	6.1
85.02916	0.7
91.05431	9.2
94.46404	0.7
98.20564	0.9
99.99857	0.7
129.01871	1.3
135.04433	1.0
147.04457	37.2
148.04787	2.7
162.09143	0.9
164.07120	100.0
165.07460	5.8
172.40164	0.9
177.01878	3.5
192.04260	4.5
206.08209	44.7
207.08437	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	207.051
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.01769	2.8
57.03333	9.0
57.47147	1.2
58.03649	1.3
59.01264	14.6
67.01781	2.3
68.99716	1.4
69.03350	7.4
69.60481	6.7
69.60895	3.2
69.71719	1.2
70.12127	1.1
71.01270	38.9
72.99198	88.8
73.02837	66.1
75.00768	2.4
83.01277	21.7
85.02841	78.7
86.03176	2.1
89.02330	5.6
95.01284	17.7
99.00782	9.5
100.01549	5.9
101.02343	18.9
103.03913	1.7
113.02359	100.0
114.02689	4.2
115.03930	3.1
129.01855	11.5
131.03427	30.5
133.01317	3.9
138.36229	1.3
149.43039	1.2
157.01390	9.3
171.02962	4.0
175.02486	3.9
189.04028	12.1
207.05139	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	207.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58455	2.4
57.03331	11.9
59.01263	100.0
67.01763	3.4
69.03339	7.5
69.95628	2.3
70.71060	6.2
70.90080	2.8
71.01271	61.4
72.99197	90.2
73.02840	46.4
75.00760	5.7
77.23902	2.4
83.01264	22.9
85.02842	65.3
87.00771	3.6
88.38666	2.4
89.02337	10.9
91.52142	2.7
95.01279	22.0
99.00783	11.7
100.01588	5.9
101.02367	15.6
109.95455	2.4
109.98917	2.5
113.02360	75.6
114.02682	4.2
115.00246	3.1
127.00228	2.5
129.01872	19.4
131.03447	17.4
133.01334	6.5
147.02925	6.6
157.01308	4.2
171.02960	6.1
177.01862	9.6
181.16028	3.0
183.56078	2.7
189.04008	14.2
192.04265	15.3
207.05017	9.2
207.06767	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
57.16171	0.1
59.01270	0.8
70.40590	0.4
71.01265	0.6
87.00754	0.2
99.00765	0.2
102.60893	0.2
102.97179	0.2
115.00283	0.2
132.36986	0.2
134.09093	0.1
143.09233	0.2
171.16003	0.2
180.90157	0.2
189.12840	1.7
199.12791	0.2
205.01476	0.3
205.15961	100.0
206.00920	0.2
206.16304	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	206.0822
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
57.03340	0.7
58.02863	29.0
59.01262	12.8
62.99920	0.6
65.01349	0.8
65.99737	1.2
67.15924	0.6
69.59181	4.2
70.02869	12.8
71.01282	2.1
72.00796	3.9
72.99197	1.1
75.00765	1.3
79.19384	0.6
81.22298	0.6
85.02872	1.6
87.00774	0.7
91.05425	4.2
93.03352	0.8
99.00785	0.7
101.02365	1.0
107.02419	0.7
113.02373	1.1
121.02921	1.0
123.04451	0.6
129.01904	3.2
135.04443	2.2
147.03110	1.6
147.04454	33.5
148.04805	2.4
149.02394	1.4
159.59773	0.6
162.09160	1.7
163.00346	1.0
164.07121	100.0
165.07478	7.7
177.01907	10.2
191.10272	0.7
192.00554	1.4
192.04247	10.8
206.08208	44.2
206.12437	3.0
207.02879	0.9
207.06647	3.4
207.08553	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14758	1.6
55.01771	10.3
57.03331	2.3
57.53894	1.6
58.00483	3.3
59.01264	79.8
60.99180	2.3
63.95322	1.5
64.46095	1.9
67.01783	2.9
68.99699	13.0
70.38809	5.9
71.01266	86.4
72.99193	49.4
73.02828	10.4
75.00759	39.0
83.01267	11.5
84.99202	2.6
85.02828	2.9
87.00767	52.1
88.01113	2.5
89.02348	4.3
96.99215	6.8
97.72478	1.6
97.99969	2.1
99.00771	39.8
99.04438	1.7
100.98692	4.2
101.02341	9.5
103.00247	9.9
111.00775	18.4
112.98725	6.0
115.00282	100.0
116.00591	3.1
117.01836	17.7
124.98714	13.5
125.02350	3.8
127.00286	11.5
129.01886	13.5
130.99800	14.2
134.07657	1.5
140.89198	1.4
142.99797	27.6
144.00543	4.9
145.01366	27.2
153.98425	1.7
154.99799	17.7
157.01379	5.1
159.02878	1.9
161.02388	2.0
173.00832	5.9
175.02469	9.8
205.03479	6.8
205.15927	4.4
206.04321	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	203.0824
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.20190	0.4
57.69383	0.4
58.25663	0.4
59.01263	2.5
64.96145	0.4
71.28445	0.8
72.00794	20.0
73.34808	0.5
74.02360	34.6
75.02706	0.7
82.25877	0.4
93.50398	0.4
102.75993	0.4
105.11311	0.5
116.04972	100.0
117.05318	5.3
129.24265	0.5
130.06519	3.2
142.06552	27.5
143.06902	1.9
157.07718	0.8
157.88878	0.5
159.09218	10.4
159.44664	0.5
160.09566	0.5
161.04755	0.7
186.05560	2.7
203.08240	39.6
204.02931	0.6
204.08597	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27248	1.0
55.01761	4.7
57.03338	3.0
57.72910	0.9
58.00468	3.0
59.01265	38.5
60.99150	1.1
67.01775	4.6
68.99698	6.2
70.21485	4.3
71.01270	50.0
71.04900	3.0
72.01614	1.8
72.99197	32.1
73.02832	13.3
75.00764	22.8
81.03323	1.5
83.01292	5.8
84.02053	2.3
85.02847	4.9
87.00773	55.0
88.98712	1.3
89.02322	3.8
96.99211	4.9
97.99998	1.4
99.00784	26.4
99.04423	8.6
101.02341	14.6
103.00255	6.2
111.00787	100.0
112.01117	4.5
112.98695	4.7
113.66159	1.1
115.00288	68.5
115.03945	1.7
116.00598	1.6
117.01846	12.2
124.98739	7.1
125.02355	20.6
126.02714	1.6
127.00283	6.1
129.01866	11.6
130.99802	4.2
142.99799	19.2
143.03444	9.2
145.01361	21.6
145.04996	1.9
154.99812	16.1
157.01291	1.4
160.35365	1.0
169.01430	1.1
173.00888	10.0
175.02473	10.6
187.02455	6.2
194.74104	1.0
205.03561	18.2
205.07207	1.8
206.04182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65052	0.6
59.01269	6.6
69.03324	0.5
71.01263	2.3
71.23930	1.2
72.00795	24.9
73.02830	0.6
74.02363	35.7
75.00771	2.4
85.02821	0.6
87.00759	0.6
90.03178	0.7
93.09667	0.6
98.00001	0.9
99.00801	2.1
101.02349	0.8
112.98721	3.1
113.02356	1.5
115.00290	0.7
116.04978	100.0
117.05311	7.4
129.05777	0.8
130.06543	3.7
131.03441	1.6
131.05031	0.6
140.98241	1.8
142.06558	30.1
143.06914	2.5
145.01370	0.7
157.07657	1.0
158.99304	1.1
159.04510	0.7
159.09227	14.0
160.03978	3.2
160.09621	0.9
161.04733	1.5
173.00850	0.9
186.05566	2.4
203.08250	49.2
204.02933	1.4
204.08589	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	201.9573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	81.5
60.74520	15.1
71.25886	32.3
86.73796	18.1
99.92500	70.7
104.97652	33.9
107.23446	14.8
116.92789	47.6
141.26668	15.6
141.93553	100.0
159.89337	24.6
190.89392	19.1
208.26407	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	202.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57771	3.0
53.88281	2.6
57.03370	2.7
59.01250	8.5
61.75631	2.6
63.95275	2.6
66.88254	3.2
68.01295	2.7
69.03346	15.6
70.42936	10.3
71.01267	17.5
72.91795	2.5
72.99191	8.8
74.02364	48.7
79.01769	2.9
82.02874	6.6
83.01283	3.0
84.00816	2.8
85.02846	14.7
86.06006	6.2
87.00747	4.8
87.04397	14.4
96.00854	2.8
96.04440	27.0
97.02844	22.0
98.02376	12.5
99.00825	2.9
103.00263	10.6
110.02387	5.9
112.03960	12.3
113.02354	5.0
115.03896	6.6
119.86127	2.7
122.87513	2.8
128.69653	2.6
129.01842	4.4
140.03477	21.8
141.01852	9.4
141.17773	2.6
142.01370	9.6
156.02974	100.0
158.04501	4.8
159.02913	6.1
184.02477	39.3
202.03581	16.4
202.07155	3.5
203.01961	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0195
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02301	1.0
52.16267	0.9
53.00194	1.0
55.01763	1.8
57.03321	3.4
59.01263	14.5
60.99181	2.1
61.95454	1.1
68.99698	1.2
69.02959	2.3
69.03339	47.1
70.03679	1.3
70.09465	4.6
71.01271	37.1
72.09007	1.0
72.99197	11.5
75.00755	9.3
79.01783	4.3
81.24770	1.0
83.01273	3.8
85.02842	9.7
85.99976	1.9
87.00769	14.8
88.03929	5.2
95.01287	5.4
97.02851	64.2
97.04842	1.1
97.99982	2.0
98.03194	2.7
99.00778	9.0
100.03915	2.7
100.98729	5.7
100.99288	1.1
101.02334	2.7
105.01845	7.6
111.00772	3.7
112.98691	3.4
113.02349	5.6
115.00288	12.5
115.03912	1.1
116.07064	2.2
117.01833	2.0
123.00803	2.7
123.04363	1.3
125.99477	1.4
127.00285	3.7
129.01863	4.7
130.99779	2.5
131.03464	2.5
140.07071	1.1
141.01884	16.7
141.05481	1.4
145.01347	4.5
150.03569	1.4
157.03320	2.9
158.08199	3.2
159.03041	2.1
160.09743	2.7
161.08157	1.4
173.00813	1.3
174.01642	1.2
185.02847	1.6
185.04420	1.1
186.07681	12.3
187.02437	1.4
197.63010	1.0
203.01941	100.0
203.03351	3.8
203.10745	1.9
204.02611	11.2
204.08794	11.9
222.76939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0748
Annotation	Lorcaserin
Peak:m/z	Relative Intensity
55.01752	3.6
57.03328	3.3
57.69156	1.9
58.03662	3.3
59.01266	27.5
60.01588	10.0
60.01857	2.0
61.06212	2.3
69.03339	8.0
70.03660	9.0
70.10303	6.3
70.10706	3.5
71.01270	31.2
72.01598	16.5
72.99188	6.4
73.02834	28.3
74.03172	17.7
75.00772	4.6
76.74705	2.0
82.03665	5.7
83.01271	9.0
84.01598	9.3
85.02362	3.9
85.02840	27.7
85.99997	4.7
86.03175	26.5
87.00354	2.7
87.00776	22.2
87.03294	2.9
88.01094	18.5
89.02359	2.3
95.01277	4.4
96.01617	5.2
97.02842	9.3
98.03172	14.9
98.20396	2.4
99.00774	20.2
100.01115	24.6
100.39949	2.0
101.01254	4.3
101.02351	38.4
102.02689	39.2
103.02742	2.3
107.77341	2.0
113.02419	2.7
114.02670	6.5
116.04246	2.3
123.04379	3.1
124.01141	6.0
125.02362	4.4
126.02708	21.6
135.06566	3.5
141.01781	4.2
142.02187	19.4
150.03128	4.5
151.03889	3.5
156.03766	13.0
160.03323	2.8
161.04483	24.4
162.04846	100.0
163.04990	11.9
165.01906	4.5
165.05476	5.9
167.26607	2.3
176.06415	4.9
180.04198	7.1
182.75291	1.8
192.05986	4.8
194.07469	96.3
195.02960	2.6
195.06290	2.7
195.07585	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	197.118
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.36011	0.5
59.01271	1.8
60.13804	0.5
61.98716	0.8
69.03342	0.8
70.67849	0.9
71.01281	0.6
71.04917	1.4
89.00191	0.5
91.02809	0.5
94.78633	0.5
95.01295	2.3
97.06490	14.0
98.06859	0.6
99.08079	4.0
108.04514	0.6
109.02869	1.8
111.00894	0.6
112.01586	0.7
112.03922	0.6
121.02896	1.5
122.03617	1.8
123.00779	6.2
123.04459	1.4
125.02361	1.3
125.09682	1.1
126.01947	0.7
126.03099	0.8
126.90450	1.7
135.07996	0.5
137.02379	0.7
137.09645	1.7
137.33397	0.5
138.03151	1.9
151.07574	0.5
151.11252	1.0
153.01900	1.4
153.05553	1.6
153.09271	1.4
153.12788	100.0
154.13129	8.5
162.83846	1.1
166.99867	4.8
169.12289	0.8
171.13867	1.1
179.10732	22.2
180.11090	1.4
182.02155	11.1
182.05803	1.1
197.02184	0.7
197.04555	4.9
197.08157	1.9
197.11804	18.4
198.04086	0.7
198.12166	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	194.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	5.0
56.02103	4.1
57.03334	5.2
58.00469	4.9
58.03658	3.0
59.00816	2.1
59.01262	45.6
60.01593	9.0
67.50565	1.4
68.99704	2.0
69.03343	10.6
70.03685	11.0
71.01271	44.8
71.52958	2.2
72.01604	29.4
72.99216	9.3
73.01684	2.4
73.02837	36.1
73.99530	2.8
74.03168	22.1
75.00763	46.7
75.03252	1.6
78.52294	1.4
80.02098	2.3
80.96397	6.2
81.03337	2.8
82.03687	5.2
82.90750	1.6
83.01292	12.0
84.01604	11.8
85.02351	3.4
85.02840	37.4
85.99966	4.7
86.01842	1.6
86.03178	34.5
87.00315	3.5
87.00772	38.2
88.01105	22.7
89.02344	7.8
90.02714	2.7
93.92842	1.4
95.01283	5.0
96.01619	10.1
97.02865	10.4
98.03177	18.1
99.00774	29.6
99.03344	1.8
100.01105	30.9
101.01263	3.4
101.02345	39.9
102.02686	41.5
103.02771	3.6
105.01865	2.4
110.78436	1.6
111.00768	5.0
112.01129	2.8
113.02338	4.9
114.02682	11.5
116.04256	1.9
117.01871	2.8
118.02187	2.7
123.00812	1.8
123.04414	1.5
124.01138	3.3
125.02439	3.1
126.02703	20.8
127.02831	2.1
128.04288	2.7
129.01871	15.1
135.06633	1.5
139.03836	1.8
140.04263	1.6
141.01741	6.1
142.02228	17.5
142.22983	1.9
143.03076	2.9
150.03157	5.4
151.03944	1.9
156.03778	15.1
159.02922	7.1
160.03236	4.8
161.04507	16.7
162.04842	100.0
163.04919	11.7
165.01872	3.5
165.05521	2.6
174.04849	2.4
176.06422	6.2
177.03981	4.2
177.05437	1.9
192.05965	6.1
194.07489	84.3
195.03168	2.0
195.05060	40.8
195.07840	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	194.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69469	1.7
55.01771	4.0
56.02102	3.6
57.03320	4.2
58.00474	4.1
58.03655	2.8
59.01263	55.9
60.01590	8.5
68.99741	2.1
69.03339	10.8
70.03675	14.0
70.75308	4.8
71.00901	3.0
71.01269	41.8
72.01601	24.7
72.99182	7.9
73.02442	3.1
73.02833	37.5
73.99527	3.4
74.02813	3.0
74.03170	23.5
75.00758	8.7
81.03326	3.1
82.03674	3.8
83.01289	9.5
84.01601	14.8
85.01732	2.1
85.02355	2.6
85.02840	35.3
85.99976	4.8
86.03171	41.6
87.00286	4.4
87.00770	34.2
87.03249	3.0
88.01099	22.6
89.01229	2.5
89.02315	6.0
93.03336	2.1
95.01267	6.2
96.01609	7.9
97.02861	10.3
97.26644	1.8
98.03194	21.3
99.00780	27.9
100.01103	29.5
101.01278	2.9
101.02347	41.8
102.02683	45.2
102.49809	2.2
103.02844	2.5
108.04423	2.4
111.00739	2.9
112.01073	4.0
113.02357	6.3
114.02698	13.6
114.24955	1.8
115.03949	2.1
118.02163	3.0
123.00788	2.4
123.04398	6.1
124.01143	5.8
125.02398	3.3
126.02682	24.3
128.04301	1.9
129.01854	2.1
135.06566	2.6
137.02408	2.6
141.01479	4.2
142.02182	17.7
150.03160	8.9
151.03874	3.1
156.03769	12.5
157.03856	2.2
160.03238	4.3
161.04520	20.4
162.04839	100.0
163.04948	11.4
165.01898	7.6
165.05492	4.5
176.06372	5.9
179.03108	3.1
180.04239	9.0
181.08946	1.8
194.07474	81.9
195.03017	2.3
195.04988	6.8
195.06367	3.0
195.07596	8.6
203.67516	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	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	9.1
57.03326	6.4
58.00455	3.8
59.01265	38.2
59.04725	1.3
65.21598	1.7
69.03340	18.2
71.01266	50.8
71.07420	3.6
71.45763	1.4
72.99187	5.5
73.02833	54.9
75.00774	3.3
79.01773	1.8
81.03362	3.6
83.01275	23.2
85.02842	57.1
85.99991	10.5
86.03194	1.9
87.00768	48.7
88.87596	1.5
89.02337	4.2
95.01287	11.9
97.02850	21.8
99.00779	47.3
99.04410	1.8
101.02350	72.3
107.01302	2.6
111.00776	4.4
112.01580	4.1
113.02346	10.0
115.03941	3.0
117.01831	2.1
123.00804	4.7
124.01565	2.5
125.02377	21.7
127.03901	1.9
134.03606	1.8
140.01094	5.9
141.01875	20.5
142.02602	3.4
155.03438	10.6
159.02939	3.8
161.04497	100.0
162.04849	3.0
173.04489	2.0
175.06094	3.4
178.02509	2.3
191.05589	4.6
193.07169	72.6
194.07437	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	193.0715
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
55.01762	4.7
56.43000	1.3
57.03329	6.5
58.00470	3.7
59.01263	28.5
68.11243	1.4
68.78769	1.4
69.03343	14.9
70.73678	3.1
70.74039	2.7
71.01268	40.0
72.99188	6.1
73.02836	50.6
75.00748	2.4
79.01794	3.2
81.03352	4.4
83.01273	17.9
84.02059	2.2
85.02842	54.6
85.99988	6.2
86.03185	1.8
87.00774	42.4
89.02353	4.5
89.11862	1.2
95.01278	11.0
97.02851	24.8
99.00776	40.0
101.02346	70.5
102.02654	2.6
111.00800	4.4
112.01566	3.1
113.02357	11.5
114.30409	1.2
115.03931	2.8
117.01832	3.5
123.00815	4.2
124.01605	1.8
125.02366	24.8
127.03944	2.0
131.25143	1.3
140.01091	5.4
141.01881	16.9
142.02582	1.8
155.03456	11.8
159.02945	4.2
161.04501	100.0
162.04840	4.6
173.04541	2.5
175.06094	4.3
176.58908	1.5
178.02667	3.8
191.05566	3.0
193.07152	60.6
194.07489	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	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	6.8
57.03341	8.3
58.00473	4.7
59.01261	36.3
64.03477	1.2
67.18163	1.2
68.99704	1.8
69.03340	19.8
70.38118	3.9
71.01270	60.6
72.01627	1.7
72.99206	6.2
73.02834	58.0
74.68128	1.2
75.00774	3.0
79.01775	3.4
79.31825	1.2
81.03346	6.1
83.01276	23.2
85.02840	62.3
85.99979	8.7
87.00769	49.5
87.04398	1.3
88.01086	1.6
89.02373	2.4
92.36745	1.0
95.01283	13.1
97.02848	28.4
99.00774	50.5
99.04454	1.6
101.02345	75.8
102.02677	2.1
103.03969	1.4
107.01333	1.4
111.00814	6.5
112.01569	4.4
113.02357	16.2
115.03902	2.1
117.01871	3.6
123.00812	6.6
124.01598	1.3
125.02361	23.5
127.03970	1.6
129.01880	1.7
134.03696	2.1
140.01085	6.1
141.01863	22.4
142.02612	2.8
147.65016	1.1
155.03439	13.9
159.02936	3.7
161.04498	100.0
162.04855	4.7
175.06061	4.1
191.05557	4.0
193.07153	68.9
194.07481	3.5
198.22624	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	193.0715
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
55.01564	0.5
55.01774	6.0
57.03336	5.0
58.00482	3.2
59.01265	34.4
62.24981	0.5
67.01795	0.9
68.08788	0.4
68.99709	1.8
69.03342	16.7
70.45245	1.4
70.45626	1.1
71.01270	49.7
71.04906	0.5
72.01604	1.3
72.99195	8.4
73.02837	50.8
74.03173	0.9
75.00751	2.8
79.01784	1.9
81.03352	6.3
83.01276	18.7
84.01619	0.5
84.02076	1.5
85.02843	59.4
85.21244	0.5
85.99997	9.0
86.03185	1.1
87.00773	42.6
87.04399	0.6
88.01090	1.2
88.01575	0.6
89.02339	4.2
95.01287	11.8
97.02853	24.5
99.00781	45.2
99.04414	1.8
100.01061	1.0
100.01630	0.8
101.02345	76.7
102.02671	2.1
103.00259	0.9
103.03916	0.7
107.01299	1.4
111.00790	6.1
112.01589	4.0
113.02361	14.1
115.03953	2.4
117.01848	3.5
123.00798	4.7
124.01582	1.8
125.02365	22.2
126.02695	0.6
127.03921	3.3
129.01875	1.9
131.03418	2.9
139.00275	0.5
140.01105	5.0
141.01875	21.9
142.02678	3.0
143.03444	2.0
149.02487	0.7
155.03438	12.4
157.04997	1.6
159.02917	3.9
161.04500	100.0
162.04840	5.1
173.04520	1.3
175.06076	6.4
177.35970	0.5
178.02647	1.1
191.05560	3.5
192.06059	0.5
193.07150	84.5
194.07474	4.6
205.03450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57495	1.1
55.01772	7.9
57.03342	5.7
58.00471	3.8
59.01265	28.4
67.01782	1.0
68.99712	1.2
69.03348	16.2
69.87815	1.8
69.88218	3.9
70.03664	1.0
71.01267	43.3
72.01602	1.3
72.99211	5.3
73.02836	44.9
74.03175	1.0
75.00753	2.0
79.01781	1.9
81.03355	3.9
83.01280	15.6
84.02033	1.2
85.02842	48.9
85.99978	8.1
87.00234	1.9
87.00770	35.3
89.02318	3.4
91.92099	0.9
95.01292	8.3
97.02856	20.7
98.03159	0.9
99.00780	39.3
100.01073	1.0
101.02348	66.0
102.02659	1.5
103.03947	1.1
107.01290	1.2
111.00796	4.0
112.01566	3.5
113.02368	12.9
115.03911	2.2
115.41743	1.1
117.01866	3.9
120.94968	1.0
122.38154	1.0
123.00785	3.5
124.01581	2.0
125.02361	19.6
126.02708	1.7
127.03970	1.8
129.01822	1.5
140.01044	4.6
141.01862	18.0
142.02612	3.2
143.03427	1.0
150.03232	1.1
155.03464	10.6
159.02977	3.6
161.04504	100.0
162.04865	4.8
173.04607	1.5
175.06111	3.7
191.05594	3.6
193.07149	75.5
194.07434	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	191.0347
Annotation	Pisonin F
Peak:m/z	Relative Intensity
51.65982	0.3
57.03322	0.6
59.01262	4.1
60.67260	0.2
62.62916	0.2
65.85294	0.2
67.01778	0.7
71.01273	0.6
71.08829	0.5
71.09182	0.4
72.99207	0.3
73.02828	0.7
75.00741	0.3
81.70808	0.2
81.71307	0.3
84.02062	3.7
85.02344	0.6
85.02838	7.0
87.00767	5.1
88.01123	0.2
93.03380	1.7
99.04433	1.4
101.02347	0.3
106.40726	0.2
109.02851	0.3
111.00790	11.0
111.04487	0.4
112.01128	0.4
119.04938	1.8
121.02869	100.0
122.03198	5.0
127.03963	0.5
129.01839	0.6
131.03464	0.3
142.14011	0.2
147.00839	0.3
147.04453	7.7
148.01584	0.5
148.04799	0.4
163.03902	0.5
165.01830	0.3
173.00903	0.4
173.04478	0.5
176.01109	1.5
177.01936	0.4
191.01913	1.6
191.03502	9.1
191.05591	18.6
192.03796	0.8
192.05989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81849	2.0
52.99752	2.4
53.32792	1.9
53.41716	2.3
55.01769	4.7
57.03330	6.0
57.78310	1.9
59.01265	27.4
69.03339	12.3
70.70909	7.4
71.01273	44.1
72.99191	4.6
73.02833	38.4
75.00778	2.2
79.01786	3.0
82.48325	2.0
83.01273	15.0
85.02840	44.9
85.34853	2.4
85.99979	7.0
87.00780	31.1
89.02358	2.9
95.01283	8.8
97.02852	20.3
99.00780	30.5
101.02346	54.6
111.00811	4.4
113.02353	10.9
117.01916	2.2
123.00773	3.8
124.25687	1.9
125.02357	17.1
127.03886	2.4
130.36671	2.0
131.03308	1.9
140.01050	3.0
141.01868	20.5
142.02628	2.7
148.47543	2.1
155.03426	10.2
159.02994	5.1
161.04498	100.0
162.04738	2.5
175.06078	2.8
191.05595	2.6
193.07143	83.0
194.07489	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	187.0973
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
53.12867	0.3
53.32751	0.3
57.03334	3.6
59.01257	1.6
64.70412	0.3
65.01337	0.8
65.99741	0.5
66.61104	0.3
69.03351	0.5
71.01282	0.3
80.02551	0.4
82.04018	0.3
83.04908	0.5
88.07964	0.3
90.00843	0.3
91.02924	0.7
92.02425	0.5
95.04940	0.8
96.39719	0.3
97.06489	12.4
98.06828	0.4
98.19797	0.4
106.04086	0.4
117.04519	0.4
118.04021	0.5
119.02454	0.5
120.05611	0.3
120.54724	0.3
123.08081	5.9
124.08403	0.4
125.09641	100.0
126.09975	5.7
130.04008	0.3
131.17506	0.3
133.04008	1.1
134.03539	0.4
143.10707	2.0
144.04399	0.4
145.05139	0.9
145.08626	0.4
146.06075	0.4
160.05124	2.2
169.08672	2.6
187.06346	1.8
187.09723	52.3
188.10062	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	191.0195
Annotation	D-Galactaro-1,5-lactone
Peak:m/z	Relative Intensity
55.16870	0.6
57.03337	3.9
59.01262	1.1
61.85693	0.8
62.28930	0.6
67.01783	0.9
70.27980	1.9
70.28374	1.7
71.01283	0.9
80.54747	0.6
84.02089	1.0
85.02842	21.7
86.03173	1.0
87.00774	36.8
87.13908	0.7
99.04390	0.9
101.02353	1.1
111.00790	100.0
112.01121	3.1
112.98793	1.0
118.72314	0.7
129.01889	8.3
130.99792	1.6
173.00850	3.0
191.00227	1.2
191.01955	19.9
191.05588	5.3
192.06104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0245
Annotation	2-Methyl-trans-aconitate
Peak:m/z	Relative Intensity
55.01757	3.0
57.03300	1.0
58.02859	1.2
59.01254	2.8
59.80259	0.8
65.00200	0.9
67.01763	2.7
68.99691	4.4
69.19769	8.5
71.01266	12.8
71.04900	2.7
72.00790	1.2
72.99184	3.5
73.02832	1.8
74.02351	1.0
75.00776	1.3
80.99725	0.9
81.03349	5.5
83.01299	4.7
83.01757	0.7
83.47614	0.9
85.02881	1.3
85.04784	1.5
87.00774	2.1
88.03931	1.0
94.12728	0.8
96.99199	1.5
97.02814	1.1
97.06458	1.4
97.99999	1.7
98.02369	8.6
98.20548	2.1
99.00780	17.0
99.04419	48.1
100.03971	1.6
100.04762	1.5
101.02338	1.5
101.07065	0.9
102.05502	2.0
111.00781	6.4
113.02326	1.2
114.05521	2.4
115.03918	11.8
115.08718	1.6
116.03451	10.7
116.07069	3.8
117.01838	1.2
124.98750	2.5
125.02368	100.0
125.09666	2.6
125.99512	2.0
126.02715	5.1
126.05512	1.0
127.00294	6.6
128.03471	1.0
129.01859	2.8
134.91493	0.7
142.05049	3.1
142.99794	2.6
143.03473	13.7
143.04547	2.5
143.07101	2.3
144.02956	11.1
144.06567	3.2
144.10225	3.2
154.99840	2.2
157.01382	4.9
159.02985	1.2
169.01358	3.9
174.74365	0.8
187.02379	25.6
187.06081	4.9
187.08008	11.1
187.09669	1.9
188.02867	1.0
188.05606	3.3
188.09245	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	186.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85623	1.2
55.01772	3.8
59.01266	6.6
68.99702	6.3
69.03349	1.7
70.64417	3.1
71.01261	14.6
72.99205	4.1
75.00773	1.9
82.02880	1.9
83.01280	5.2
84.04433	19.4
96.99207	3.2
98.49987	1.5
99.00787	21.6
99.04443	2.9
100.03952	4.1
101.02358	1.6
111.00768	2.6
113.00031	1.4
114.05466	1.7
114.09116	1.5
124.98742	1.9
125.02374	3.1
125.05952	2.1
125.09641	24.1
127.00278	11.8
140.07069	1.8
142.08694	9.5
142.99773	4.3
145.01248	1.4
154.99780	3.9
155.76355	1.5
157.01361	2.6
159.04405	1.6
168.06519	2.4
169.01323	4.1
186.07684	100.0
186.11313	5.9
187.02431	7.2
187.03940	2.9
187.06207	2.7
187.07994	5.9
187.09718	11.6
187.13377	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	181.0503
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
59.01270	0.7
64.11584	0.3
67.01771	0.7
70.82978	1.0
71.01292	0.3
73.57442	0.3
75.58959	0.3
85.15790	0.3
89.02345	0.3
93.03352	0.7
95.01294	0.9
104.81502	0.4
120.09531	0.3
123.00802	11.2
124.01199	0.7
135.91908	0.4
137.02370	1.0
151.00308	78.0
152.00647	3.5
165.01869	1.7
166.02669	100.0
167.02989	6.3
174.42023	0.3
181.05028	18.4
182.05357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1386
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.17022	0.1
54.68544	0.2
57.65760	0.2
59.01266	1.0
62.50429	0.2
65.01328	0.2
67.01787	0.3
68.34821	0.1
69.03344	0.2
71.01239	0.2
71.52175	0.3
84.00748	0.2
85.02798	0.2
95.01285	0.4
95.04961	0.3
97.02892	0.2
102.98228	0.1
107.01317	0.2
109.02879	0.2
111.00783	0.4
111.04450	0.2
112.00320	0.3
112.03947	0.4
112.98466	0.4
122.02426	0.2
123.00767	0.3
124.01575	0.9
124.03929	0.3
124.98717	0.4
137.02324	0.2
139.00232	0.2
139.03934	0.3
139.07613	0.2
139.11212	0.5
139.99849	0.2
140.07076	0.4
143.04774	0.3
151.00313	0.3
152.98247	0.5
156.05641	0.7
157.05106	1.0
165.01836	0.2
168.00591	1.8
183.02907	0.8
183.06635	0.8
183.13870	100.0
184.06142	0.7
184.14211	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	185.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	9.0
59.01269	14.6
68.99699	13.0
69.03355	10.5
70.25455	35.2
71.01288	15.2
72.99191	27.9
73.43513	7.7
77.09814	7.3
78.95808	95.3
79.96985	7.8
82.02862	16.4
83.01252	9.3
85.02828	15.2
87.00773	21.7
96.00813	12.5
97.02868	13.2
97.06521	10.1
98.02369	15.6
98.20473	8.3
99.00786	18.1
99.05530	13.0
100.36346	7.9
102.88604	9.0
110.89812	11.2
110.97757	9.1
110.98450	100.0
111.00847	11.1
111.04440	9.4
112.98718	20.7
113.02378	17.3
113.05981	16.6
123.00925	7.9
124.03979	22.9
124.98740	14.9
125.99564	8.9
126.01889	16.3
139.00302	8.1
140.98174	9.0
141.05498	42.7
141.09180	14.1
142.04996	19.9
142.08641	14.2
142.96501	12.0
143.04585	15.1
166.82875	7.2
169.98558	18.1
178.90460	7.7
185.02205	28.2
185.04526	9.4
185.09976	6.5
185.11815	34.0
186.04114	19.8
186.07635	11.6
198.85327	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	179.0559
Annotation	1L-chiro-Inositol
Peak:m/z	Relative Intensity
55.01765	1.2
56.53447	0.4
57.03334	1.1
58.00480	1.6
59.01266	30.3
60.01591	0.7
68.99709	1.1
69.03331	1.6
70.90426	1.1
70.90756	0.5
71.01273	23.2
71.04906	2.9
72.99200	10.4
73.02836	8.1
75.00764	100.0
76.01114	1.0
81.03352	6.5
83.01289	2.1
85.02847	8.1
87.00774	28.9
88.01079	0.7
89.02342	9.9
95.01286	1.0
97.02849	3.1
99.00780	9.8
99.04416	3.5
101.02344	4.1
103.03933	0.6
113.02380	2.4
115.47923	0.4
117.01852	3.2
119.03446	0.9
125.02371	3.9
128.59689	0.4
129.01958	0.7
131.03441	1.0
135.04446	0.4
141.01868	1.8
143.03432	18.5
144.03801	0.7
159.03000	0.8
161.00879	1.7
161.04501	20.6
162.04866	0.5
164.01085	0.6
177.04134	0.6
179.05582	84.9
180.05923	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	179.0347
Annotation	Cordytropolone
Peak:m/z	Relative Intensity
54.16273	0.2
57.03328	0.3
57.37020	0.2
57.58703	0.2
58.00487	0.2
59.01265	6.0
63.02283	1.7
65.00200	2.0
65.01322	0.3
65.99722	0.2
66.03362	0.3
67.01770	0.3
68.01286	0.2
68.99697	0.2
69.03339	0.9
69.19177	2.3
71.01271	5.0
72.99204	0.5
73.02833	0.7
75.00761	0.7
81.03357	0.4
82.03989	0.4
82.15429	0.2
83.01275	2.9
84.04472	0.3
85.02842	1.8
87.00772	8.6
88.01145	0.2
89.02338	2.5
91.02918	0.2
91.05424	0.2
93.03361	1.3
94.02873	0.3
95.01288	2.0
95.02413	0.4
96.00822	0.4
97.02862	0.7
97.03988	0.2
98.19711	0.3
99.00779	1.8
101.02359	1.3
105.03311	0.2
106.03995	0.2
107.01297	3.8
107.04945	0.7
108.02114	0.5
109.02879	2.0
109.03991	0.6
110.02412	0.3
111.04434	0.9
113.02379	0.7
117.01866	1.5
118.06529	0.2
120.02028	0.3
121.02860	0.7
123.00791	0.5
123.04459	0.5
125.02397	1.1
134.03485	0.2
135.04446	4.5
135.08092	0.4
136.01564	0.3
136.05075	0.4
136.07602	0.3
137.02380	7.7
137.03429	0.4
137.04547	0.3
138.02786	0.4
140.29251	0.2
141.01846	0.7
146.03664	0.3
151.00314	6.2
151.03973	2.8
151.07614	0.5
152.00650	0.4
152.04529	0.6
159.02936	0.5
161.04524	5.8
164.01112	2.5
164.04762	1.0
168.09438	0.2
169.01379	0.5
177.03989	0.3
179.03474	100.0
179.05511	5.9
179.92432	0.3
180.03828	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	177.019
Annotation	Esculetin
Peak:m/z	Relative Intensity
57.03333	0.4
58.02866	0.2
59.01263	7.1
60.01612	0.1
63.02284	1.6
65.00208	1.7
65.01318	0.6
65.03867	0.1
65.99735	1.0
67.01774	0.8
67.02895	0.3
68.01300	0.2
68.99696	0.7
71.01272	1.7
71.07578	0.3
72.99170	0.2
73.29207	0.1
75.00747	0.5
77.01367	0.1
77.03875	0.1
81.03349	0.2
81.04478	0.3
82.04017	0.2
83.01273	0.5
83.02384	0.1
85.02843	0.6
87.00772	0.8
89.00218	0.7
89.02327	0.4
89.03863	3.5
90.04196	0.2
91.01786	3.6
91.02915	0.9
92.02435	0.3
93.03371	0.4
95.02352	0.2
95.04916	0.9
99.00764	0.7
101.02372	0.2
105.01851	0.2
105.03372	1.4
105.04485	0.2
106.04035	0.7
107.01301	1.8
107.02420	0.5
108.04433	0.2
108.05598	0.4
109.02855	2.0
109.03983	0.3
117.01855	0.2
118.04029	0.3
119.02412	0.3
119.04752	0.1
120.04302	0.1
121.02869	1.1
121.03767	0.2
122.03475	0.2
123.01920	0.4
123.04423	0.9
129.01855	1.2
132.02057	0.3
132.05630	0.1
133.02885	6.2
133.06537	1.0
134.02440	0.2
134.03520	0.9
135.00810	2.2
135.01926	0.4
135.02960	0.2
135.05553	0.3
135.06628	0.2
135.09048	0.1
136.01320	0.2
136.05049	0.3
137.03467	0.1
147.00772	0.3
147.02911	0.2
148.05182	0.2
149.02393	1.4
149.06030	0.3
150.03004	0.4
150.06693	0.9
151.00307	0.4
151.05040	0.3
153.01875	0.4
160.05148	0.2
161.02359	0.2
162.03168	6.3
163.03632	0.2
177.01891	100.0
178.02254	6.1
178.04681	0.2
178.06204	0.3
190.19273	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	175.0244
Annotation	2-Hydroxy-3-oxoadipate
Peak:m/z	Relative Intensity
55.01763	5.4
57.03340	19.3
58.00483	2.9
59.01265	40.3
62.08521	1.7
67.01773	4.2
68.99713	3.1
69.03342	27.9
69.03696	2.3
71.01270	52.1
71.01669	2.6
71.52708	3.2
72.99202	100.0
73.02839	65.4
73.10423	2.0
73.99573	2.1
75.00751	3.5
77.02007	2.5
83.01279	29.8
85.02843	91.0
86.02394	1.8
86.03155	2.5
87.00772	32.0
87.01289	2.9
87.04420	8.3
88.03960	1.9
95.01283	21.3
96.99205	13.3
97.02834	2.2
97.28558	1.9
99.00785	37.4
101.02361	16.6
103.00260	3.6
103.03963	2.5
111.00801	4.2
111.04438	2.8
113.02360	90.8
113.66947	1.7
114.02699	3.9
115.00286	21.5
115.03933	3.1
117.01936	2.3
124.98749	7.4
127.00288	10.4
129.01877	8.2
131.03409	15.8
132.02953	5.7
139.00278	2.3
145.01360	2.7
152.99794	2.0
157.01392	38.9
158.01823	2.7
175.02475	22.8
175.06068	10.2
182.15474	2.6
183.45363	1.8
188.34409	2.0
190.64894	1.9
194.28079	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	175.0244
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
55.01764	5.3
57.03330	6.4
59.01264	99.9
65.92537	5.2
68.99699	22.9
69.03337	8.7
70.92913	10.2
71.01270	75.6
72.99188	22.7
73.02835	16.1
75.00756	18.8
79.54573	4.7
83.01288	11.2
85.02853	31.8
85.06477	6.4
86.02364	9.7
87.00772	88.8
87.04396	6.2
93.03326	5.5
96.99237	7.7
99.00775	15.0
100.98717	100.0
101.02299	8.3
111.00772	6.3
113.02348	6.7
115.00297	53.0
115.03926	11.3
124.98721	30.4
127.00210	5.4
127.97448	78.9
129.01822	5.3
130.99782	5.5
131.03485	9.4
142.99788	15.4
146.38564	5.2
157.01361	6.8
160.03529	9.2
175.02518	15.4
175.03943	8.5
175.06107	28.9
176.03374	7.7
194.68338	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	173.0087
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00191	1.3
55.01772	6.7
57.03330	4.4
58.02853	1.0
59.01261	7.5
64.41598	0.9
67.01770	9.5
68.99703	3.9
69.03339	1.8
70.42697	2.8
71.01269	100.0
72.01609	2.7
72.99207	9.7
73.02839	9.3
75.00798	1.2
83.01279	8.9
83.04910	2.4
85.02824	6.9
85.06483	4.1
87.00749	8.8
88.50755	0.9
90.42863	0.9
93.03355	27.4
96.99210	3.8
99.00779	31.4
100.01061	1.2
101.02309	2.0
102.05474	1.5
111.00781	18.2
111.04413	7.8
111.08034	2.5
112.97997	1.4
112.98725	18.6
115.00255	5.8
124.98724	20.8
128.07108	3.7
129.01837	2.1
129.05460	2.4
132.06563	1.0
140.98216	1.5
142.99799	62.8
144.00127	1.6
145.01366	2.5
145.43513	1.1
154.99788	3.8
155.03415	1.9
159.03169	1.6
170.56779	1.1
173.00894	17.3
173.04503	7.9
173.08107	3.3
174.01613	1.5
174.07693	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	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84591	0.7
53.00216	1.7
55.01767	6.2
56.02096	0.9
57.03340	6.4
58.00497	1.2
58.02856	4.2
59.01265	10.3
60.99185	2.9
65.05267	0.9
66.03587	0.8
67.01779	20.0
68.99697	5.2
69.03342	5.1
70.88950	1.3
70.89275	0.9
71.01269	100.0
72.01608	2.4
72.99194	14.5
73.02833	10.8
75.00764	2.1
80.99712	1.2
81.03347	1.9
83.01283	11.0
83.04927	3.0
85.02840	12.2
85.06471	1.6
85.99982	2.1
86.06013	1.5
87.00773	7.8
89.02333	1.4
93.03358	61.7
94.03690	1.4
95.01292	2.9
96.99215	3.5
97.02866	1.9
99.00778	35.1
99.04378	0.9
100.07590	6.8
100.98721	0.8
101.02331	3.8
109.02840	1.2
109.06447	0.7
111.00784	12.3
111.04411	10.5
111.08063	4.7
112.98717	22.4
113.02349	8.4
114.05510	1.1
115.00265	6.4
115.03883	1.0
123.00794	2.9
124.98727	24.5
124.99659	1.2
127.00294	0.9
127.03980	1.0
128.07083	12.0
129.01846	3.9
131.03683	7.6
132.06638	1.5
137.02328	0.8
140.01109	1.6
140.98270	1.5
141.01871	1.0
142.99799	49.4
144.00127	1.6
145.01360	1.4
154.99768	2.7
155.03464	1.8
159.03220	14.6
159.04456	0.5
166.14053	0.9
173.00905	14.5
173.04533	16.8
173.06003	1.5
173.08109	5.5
173.11838	1.1
174.01767	0.9
174.05693	3.5
174.07664	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	173.0087
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
53.00195	2.5
55.01774	7.4
57.03345	6.1
58.02856	5.4
59.01268	6.8
67.01781	7.0
68.99699	4.0
71.01270	100.0
71.04886	1.8
71.17619	1.3
71.17943	2.0
72.01595	1.8
72.99203	9.0
73.02840	9.2
83.01293	10.6
83.04926	3.0
84.04451	1.9
85.02841	51.0
85.06476	3.8
86.03188	1.4
87.00772	11.9
88.03919	3.5
93.03362	8.9
96.99221	4.4
99.00785	37.5
100.01104	1.8
100.07585	5.8
101.02350	4.1
102.05522	2.1
110.91983	1.3
111.00788	76.4
111.04428	7.5
112.01110	2.1
112.98718	30.0
115.00266	4.8
124.98724	26.9
128.07094	12.0
129.01865	12.8
129.05466	4.0
129.24911	1.2
132.06616	1.8
140.98140	1.7
142.99799	65.9
144.00128	1.7
154.99791	8.7
155.03423	4.1
173.00873	20.6
173.04517	7.0
173.06541	1.2
173.08067	1.6
174.01404	1.6
174.07663	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	172.0976
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
53.06044	0.2
57.03336	0.9
58.02860	1.3
59.01265	1.5
60.99195	0.9
63.55105	0.2
65.01343	1.0
65.99738	0.3
66.00873	0.3
67.01775	6.1
69.03350	1.3
69.54236	0.6
69.54668	0.9
71.01266	2.4
71.01612	0.2
72.00829	0.2
72.99200	0.4
73.02829	1.0
75.00800	0.2
81.03371	0.3
82.06527	0.4
83.01274	0.2
83.04935	0.5
84.04430	0.3
85.02869	0.5
85.06464	0.2
85.64597	0.2
86.02360	0.2
89.01361	0.2
89.02374	0.2
93.03355	22.6
93.23808	0.2
95.01308	0.3
97.02851	0.3
99.00765	1.1
101.02348	0.3
106.04025	0.4
111.00800	0.5
111.04420	2.8
111.08077	1.2
112.03954	0.6
113.02358	0.4
115.00307	0.4
116.02477	0.3
116.04997	0.2
118.04026	0.4
119.02429	0.7
123.00771	0.3
128.10728	3.0
129.01869	0.3
130.08661	100.0
131.03539	0.6
131.07030	0.8
131.09010	4.0
137.02354	0.3
142.99719	0.3
143.03487	0.3
144.04480	2.2
145.02841	0.3
145.03941	0.4
145.05042	1.0
146.03525	1.3
155.03386	0.4
170.69545	0.2
172.02515	0.2
172.03876	0.8
172.05028	0.3
172.06233	0.7
172.09720	15.2
173.00961	0.2
173.02371	0.4
173.04562	4.5
173.05965	0.3
173.08124	0.8
173.10052	0.9
173.11620	0.4
173.83577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66313	0.5
57.03334	2.0
57.97684	0.5
58.02859	1.6
59.01265	7.0
60.99184	3.2
65.01344	5.0
65.99731	2.3
66.00835	0.6
67.01778	15.7
67.02895	0.5
68.82484	0.5
69.03337	4.7
70.45644	1.8
71.01265	6.8
71.04907	0.8
72.99210	1.6
73.02836	2.4
75.00761	0.7
77.01360	0.8
81.03355	1.1
83.01279	0.7
83.04929	1.5
85.02843	1.6
85.06506	1.1
87.00770	0.7
89.01350	1.3
90.00874	0.6
91.02924	1.4
93.03361	69.1
95.01295	0.9
97.02869	1.3
99.00769	3.8
99.04431	0.9
101.02342	0.7
105.04498	1.0
106.04027	1.9
109.04008	0.7
111.00787	1.8
111.04431	8.1
111.08073	3.2
112.03971	1.4
113.02355	1.5
113.06023	0.7
115.00336	1.2
115.03944	0.7
115.92004	0.6
116.02424	0.6
118.02886	0.6
118.04023	1.4
119.02409	4.0
123.00822	0.6
128.07893	0.8
128.10754	2.8
129.03098	0.6
130.04070	4.5
130.08667	100.0
131.03554	1.6
131.07086	5.3
131.09030	4.1
133.02710	0.6
137.02386	1.6
141.01881	1.0
142.99829	1.3
143.03583	1.2
144.04468	5.4
145.01514	0.7
145.02869	1.2
145.03989	1.9
145.05115	2.9
146.03525	6.1
146.04539	0.9
155.03479	1.8
172.02602	1.1
172.03944	2.2
172.05083	1.6
172.06232	3.3
172.09692	16.4
173.01067	0.6
173.02341	1.2
173.04599	14.1
173.06038	1.1
173.08192	2.0
173.10176	0.7
173.11700	0.8
185.39574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01565	0.6
55.01773	6.8
57.03339	4.1
58.00439	0.8
59.01258	5.7
60.99197	2.0
63.13885	0.6
65.00217	1.3
66.03373	45.9
67.01774	13.9
67.03718	1.4
68.01305	4.4
68.99703	9.6
69.03337	4.4
69.67132	3.8
69.67519	1.2
71.01268	39.4
72.99200	30.3
73.02834	10.5
75.00785	1.1
79.01778	0.6
79.63058	0.6
81.03381	0.9
82.02874	13.2
83.01276	20.5
83.04931	1.4
83.92408	0.6
84.00804	0.6
85.02839	22.5
86.00002	2.2
86.02383	1.4
87.00771	75.6
88.01112	1.5
89.02335	1.2
93.03360	44.2
95.01299	3.5
96.00793	0.7
96.99213	0.9
97.02863	1.8
98.02361	1.9
99.00777	22.5
100.03932	2.5
101.02351	7.9
103.00291	1.0
109.02889	1.0
110.02386	100.0
111.00787	72.3
111.02701	3.8
111.04414	7.7
111.08073	2.2
112.00314	17.9
112.98717	1.0
113.02360	4.4
115.00293	12.0
115.03912	0.8
117.01835	0.6
123.00797	3.0
124.98726	2.8
126.01878	0.9
126.05499	0.8
127.00293	21.2
127.03947	0.7
128.00687	0.7
128.03444	2.6
128.07106	2.9
129.01866	7.8
129.02806	1.0
130.05023	1.0
130.08600	1.3
130.99715	0.6
140.01118	1.2
141.01874	1.1
142.01392	0.7
142.99803	8.5
144.04501	0.8
145.01379	2.3
145.02904	0.7
154.01433	3.0
154.99809	21.1
155.03404	1.2
172.00192	1.1
172.02472	28.6
172.06052	3.8
172.10544	2.1
173.00880	18.8
173.02373	1.0
173.03085	0.9
173.04503	15.4
173.06021	1.1
173.08112	1.8
173.11760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	4.7
61.54509	0.4
68.99703	0.6
70.22537	1.9
71.01276	2.5
72.99197	1.6
73.02840	2.2
75.00767	13.7
85.02861	0.5
87.00774	90.5
88.01124	2.5
89.02335	3.3
99.00786	11.0
100.01089	0.4
101.02344	5.8
103.00272	0.5
105.01845	98.1
106.02184	2.4
114.29939	0.4
115.00253	0.4
117.01855	4.4
119.03398	1.4
120.99670	0.4
125.23737	0.4
127.55943	0.4
129.01874	2.0
135.02905	2.3
140.54756	0.5
140.99979	0.4
147.02936	11.9
162.44170	0.5
165.04002	100.0
166.04356	4.5
166.31242	0.4
184.24272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00814	0.2
53.83475	0.3
58.02863	100.0
59.01247	0.7
59.02575	0.3
59.03198	1.6
61.98711	0.6
63.32117	0.3
65.00211	0.5
68.99705	0.8
69.03341	0.3
69.41635	0.3
69.42006	2.6
70.02866	0.5
72.99166	0.3
82.95314	0.6
87.00780	0.5
93.59610	0.3
96.04442	0.4
97.02868	0.9
107.04919	0.3
108.04483	0.5
114.13288	0.3
122.06036	0.7
125.02352	3.0
125.05978	0.5
125.09630	0.7
125.99480	0.5
132.86739	0.5
138.05421	0.5
150.05544	0.9
151.00261	0.7
151.11209	0.8
153.01425	1.0
153.99020	1.0
168.03888	0.8
168.06546	0.6
168.13879	10.8
169.01355	1.7
169.04984	0.8
169.08580	0.5
169.12259	0.8
169.14230	0.5
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	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
51.92366	0.4
55.01747	0.4
55.23245	0.3
59.01237	0.6
64.55456	0.4
65.01328	1.5
66.71065	0.4
69.24902	1.2
69.25325	2.5
81.04486	0.6
89.01360	0.6
91.45524	0.4
98.19869	0.9
99.00796	0.4
99.08052	0.7
105.04454	0.5
106.03997	0.6
108.64775	0.4
109.06476	0.7
123.08068	0.4
125.09663	2.4
127.07545	1.3
127.11200	5.8
128.11552	0.4
129.04466	0.4
130.04077	0.6
142.02328	0.4
144.01982	0.4
144.04457	1.5
144.05582	1.7
153.09117	1.3
171.01924	1.5
171.06764	2.8
171.10220	100.0
172.03918	0.5
172.09171	0.5
172.10590	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	158.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	8.8
57.03336	6.9
58.02852	0.8
58.03661	0.7
59.01264	6.5
59.20348	0.6
68.99706	8.5
69.03344	4.6
70.02902	0.6
71.01270	16.6
71.04910	1.1
71.17745	0.9
71.18072	1.0
72.99197	1.9
73.02831	8.6
74.02342	1.1
74.14917	0.7
75.00768	5.2
82.02850	0.7
83.01276	5.1
84.04445	5.1
85.02841	9.4
86.02351	0.7
86.06005	84.2
87.00759	5.9
87.04410	0.9
87.06322	3.6
95.01289	1.0
96.04449	18.8
97.02843	10.5
97.06492	2.6
98.00030	1.0
99.00777	19.1
100.03944	1.6
101.02356	4.3
111.00787	6.3
112.03951	100.0
113.02382	4.2
113.04293	5.0
114.05518	24.2
114.09166	0.9
115.00258	1.1
115.03943	3.1
115.07556	1.2
116.07073	9.7
117.01811	1.1
126.08823	0.6
127.00278	1.3
128.00676	0.9
128.04991	0.8
129.01849	5.2
130.06587	1.1
131.03543	1.2
141.01826	4.4
141.64970	0.6
158.04539	32.3
158.08115	5.6
158.89227	1.5
159.02948	11.0
159.04817	1.5
159.06483	1.4
159.10219	1.5
159.65909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0712
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
54.42252	0.6
59.01245	3.3
71.01273	4.4
71.13580	0.9
71.13908	1.3
72.00797	37.1
72.99171	1.0
73.01148	1.0
73.02849	1.3
75.00760	2.3
77.03864	0.7
77.69399	0.8
85.02818	1.7
87.00776	7.8
89.02325	3.5
91.05427	1.0
92.04941	1.4
93.03362	2.5
101.02354	1.7
103.05404	0.9
105.01840	7.0
109.02859	0.8
118.06559	1.0
119.04967	2.1
120.04458	2.4
120.05270	1.3
121.02855	8.4
122.03632	2.2
123.04432	1.5
135.04428	1.0
136.04010	1.0
137.02385	2.2
146.06079	0.9
147.04456	100.0
148.04785	7.4
149.02408	0.7
150.03148	7.9
164.03395	1.3
164.07123	50.2
165.01869	2.5
165.04007	5.4
165.05504	3.8
165.07529	5.4
165.09042	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	165.04
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
55.01771	1.3
55.60682	0.5
57.03336	1.1
58.42871	0.4
59.01270	8.9
61.75807	0.5
71.01273	7.0
71.30553	0.6
71.30910	1.1
72.99206	4.3
73.02841	3.3
75.00764	32.3
76.80781	0.6
85.02824	1.4
86.16037	0.5
87.00774	100.0
88.01103	2.0
89.02335	2.4
95.06087	0.5
99.00787	12.1
100.01089	0.6
101.02348	3.6
105.01845	81.5
106.02161	2.5
113.92627	0.5
117.01846	2.1
119.03400	1.2
123.04440	1.0
129.01874	2.8
135.02921	2.1
147.02934	10.1
148.03336	0.6
165.04001	74.4
166.04352	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	158.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59077	0.5
55.01521	0.9
55.01773	12.7
57.03338	8.2
58.02863	1.0
59.01269	4.3
68.04949	1.0
68.99712	3.6
69.03342	5.2
70.00023	0.7
70.02873	1.2
71.01272	14.3
71.04914	2.5
71.51590	1.1
72.99194	1.9
73.02835	7.2
75.00768	1.9
83.01278	7.4
84.04440	9.4
85.02843	10.2
86.02354	1.1
86.06004	88.8
87.00755	4.5
87.04409	1.6
87.06350	3.8
92.43063	0.6
96.04450	42.4
96.99255	0.8
97.02850	11.0
97.04797	1.7
97.06476	2.4
98.00004	2.2
98.02361	0.7
99.00777	11.3
100.01557	0.7
100.03931	0.8
101.02357	2.9
111.00786	5.3
112.03952	100.0
113.02365	3.2
113.04266	3.5
114.01897	1.0
114.05519	23.0
115.03944	3.3
115.07549	0.8
116.07107	1.3
117.01846	1.2
118.04063	0.6
119.04754	0.7
127.00294	1.2
128.03458	0.7
129.01842	3.7
131.03546	1.9
132.05629	1.0
137.76692	0.7
140.03510	0.8
141.01917	3.7
144.04449	0.7
158.03252	1.4
158.04538	28.0
158.08138	6.8
159.02937	12.6
159.04347	1.0
159.04797	0.9
159.06627	3.1
159.10216	1.6
164.09041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0454
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
55.01768	5.7
55.14968	0.4
56.01270	0.6
57.03338	15.4
58.00505	0.4
58.02853	1.6
59.01266	7.0
68.99698	1.3
69.03345	4.9
69.94018	1.9
70.02866	0.8
70.03664	0.6
71.01271	7.4
71.04904	5.3
72.00780	0.6
72.99194	1.6
73.02846	2.3
74.02384	0.9
75.00780	0.9
82.02867	0.5
83.01279	21.9
84.04447	8.1
85.02849	11.6
85.06463	0.5
86.02374	0.6
86.06008	80.1
87.00772	2.1
87.04413	4.6
87.05862	0.4
87.06333	2.1
92.26723	0.4
96.04451	23.7
97.02854	16.3
97.04786	0.8
97.06464	1.1
98.00007	0.5
98.02364	1.0
98.05996	1.2
99.00777	11.8
100.01581	1.1
100.03959	1.4
101.02345	1.7
109.16812	0.4
111.00800	2.3
112.03957	100.0
113.02370	3.7
113.03629	0.6
113.04301	3.9
114.01900	0.9
114.05521	23.8
115.00307	0.9
115.03925	13.0
115.05849	0.9
116.07070	2.4
127.00299	1.3
128.03426	0.4
128.07129	0.5
129.01872	1.2
130.05051	0.6
131.03459	1.0
140.03471	0.9
140.07104	1.0
141.01871	5.3
158.04546	31.3
158.08133	4.8
159.02950	24.6
159.04974	1.2
159.06566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56075	1.3
54.48487	1.1
55.01772	100.0
56.02100	3.4
59.01261	5.3
65.00197	2.3
66.25627	1.1
66.47213	1.0
67.01768	3.0
68.99713	1.9
69.03337	2.3
69.80428	5.6
70.02901	1.3
71.01271	17.9
72.99207	1.6
77.51218	1.2
81.03330	2.7
83.01277	59.8
83.04926	4.2
84.00813	1.0
84.01627	1.5
84.04437	4.9
85.02831	2.4
85.36998	1.2
87.00776	1.1
93.03371	3.8
95.01280	10.6
97.99987	1.3
99.00786	2.6
109.02849	1.8
110.02332	1.0
111.00817	6.6
111.04424	4.4
111.08061	2.6
112.01601	7.0
112.03934	1.5
113.02374	2.1
114.05524	18.9
115.38038	1.2
117.01849	1.5
123.00804	9.3
127.00293	19.0
128.00595	1.3
137.02434	1.2
139.97412	2.4
140.01093	25.6
140.24399	1.0
143.03996	1.1
154.99806	85.3
155.03517	8.6
155.07065	2.1
156.00171	4.3
156.06602	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	154.9981
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
50.25364	1.2
53.45782	1.0
55.01770	100.0
56.02102	2.5
61.37610	1.1
67.01769	3.0
68.99715	1.6
70.37910	3.8
70.38249	1.3
71.01266	16.4
72.01605	1.2
75.64774	1.0
83.01276	60.1
83.04926	1.6
84.00833	1.7
84.01618	1.9
84.04446	1.7
92.52929	1.1
95.01295	2.1
96.04443	1.2
99.00787	2.4
102.97378	1.1
111.00764	4.4
111.04436	1.6
112.01574	2.4
112.03950	3.1
112.98738	2.1
114.05521	13.8
114.25443	1.3
123.00806	1.5
126.53490	1.1
127.00301	17.5
127.24427	1.2
139.19031	1.3
139.97441	1.2
140.01085	6.1
154.99799	95.7
155.03490	2.7
156.00140	5.0
156.06570	4.2
161.28018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0396
Annotation	3-Hydroxyphenylacetate
Peak:m/z	Relative Intensity
59.01255	3.4
63.02299	1.0
65.01329	1.4
65.99734	2.0
66.03368	5.2
67.01767	1.3
69.38992	0.9
71.01272	9.2
71.50052	1.4
73.02830	2.0
77.03835	1.2
79.05434	1.2
81.03368	1.1
85.55452	0.9
89.02338	5.1
93.03360	17.8
93.19118	0.8
94.03674	1.1
95.01292	3.7
95.04921	8.9
101.02347	4.4
105.03345	1.8
106.04096	1.8
106.06813	0.9
107.04932	69.1
108.02079	8.0
108.04501	1.4
108.05262	3.3
111.01913	1.4
119.03396	0.9
121.02879	7.8
121.99371	0.8
122.03606	1.5
123.00800	3.0
123.04437	62.8
124.01579	1.4
124.04763	3.8
133.02872	10.0
134.03497	2.9
136.01590	80.3
137.01901	5.2
149.02362	2.1
151.03949	100.0
151.06010	3.2
152.01062	1.8
152.03304	2.1
152.04474	7.2
153.08823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84063	0.7
55.01771	99.1
56.02096	2.3
58.02814	0.8
59.01258	2.9
65.00206	1.7
67.01763	2.7
68.99703	1.3
69.28764	8.3
69.29174	1.9
70.02879	0.9
71.01273	19.2
73.02818	1.0
80.34081	0.8
83.01276	62.8
83.04922	2.8
84.01611	3.1
84.04435	2.3
85.02809	1.7
87.00766	1.7
93.03350	2.1
95.01266	4.1
98.02396	0.9
99.00775	2.4
99.04467	1.0
111.00771	4.1
111.04430	3.9
111.08080	0.9
111.97961	0.8
112.01582	4.4
112.03951	1.5
112.26532	0.8
112.98699	1.2
114.05535	9.6
120.18324	0.8
123.00805	4.8
127.00287	18.4
127.03876	0.9
135.85648	0.9
137.02440	0.9
139.97452	1.0
140.01085	15.8
154.99806	100.0
155.07097	1.3
156.00159	6.5
156.06609	4.9
170.06276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0602
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
51.71183	4.7
58.00480	25.0
59.01281	13.2
65.01335	22.2
65.99737	30.8
67.02889	12.8
70.53690	21.2
71.01273	44.3
72.99186	8.2
73.02829	16.3
74.48629	5.2
82.25503	5.6
86.25455	6.0
87.00755	10.8
89.02341	89.4
91.02956	7.0
91.05420	16.2
92.02402	6.5
93.03360	14.3
95.02422	10.9
106.04047	17.2
107.02419	7.3
108.02035	9.9
108.05544	6.3
120.01979	10.7
121.02879	100.0
121.05103	6.4
122.02424	14.2
122.03461	16.1
123.01900	25.4
123.04347	8.2
131.03456	7.1
131.04933	9.5
134.03648	16.9
140.64023	5.8
145.26399	5.8
147.04469	5.7
149.02467	57.3
149.03493	14.1
149.04538	54.8
149.06001	65.8
150.00160	14.2
150.03027	32.3
150.05545	10.6
150.06691	8.6
162.20311	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	149.045
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
55.01739	1.3
59.01265	10.3
62.09818	0.9
69.03341	2.2
69.96703	5.2
71.01273	31.0
72.01592	1.2
72.99183	2.2
73.02841	20.5
75.00783	3.2
82.76832	0.9
85.02844	2.3
87.00779	11.1
89.02341	100.0
90.02668	3.5
95.23760	0.9
98.19820	1.1
103.03925	6.0
107.15542	1.0
116.24464	1.0
128.43211	0.9
131.03429	12.7
132.03737	1.5
149.04500	45.6
150.04849	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	149.045
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
55.01751	1.5
55.95657	0.9
58.00479	1.8
58.80971	1.0
59.01263	11.3
69.03342	3.2
71.01270	32.7
71.25071	1.2
71.25395	1.9
72.99194	2.2
73.02837	21.5
75.00758	3.9
85.02840	2.5
87.00771	12.2
89.02338	100.0
90.02662	2.4
101.02374	1.3
103.03915	6.8
121.02865	7.7
124.15103	1.0
131.03435	15.2
134.03606	1.6
149.02377	5.3
149.04494	59.9
149.05838	1.9
150.00104	2.7
150.03050	1.4
150.04842	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	147.0293
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03339	22.2
59.01262	100.0
71.01268	90.0
71.52480	5.5
72.99203	22.7
75.00777	38.2
83.01272	9.3
85.02855	29.7
87.00775	10.2
89.02355	6.9
99.00238	5.8
99.00760	34.7
101.02370	10.0
103.03930	6.9
120.89788	6.0
129.01863	26.7
130.83525	6.1
131.16280	5.5
138.24904	5.7
146.45837	6.1
147.02959	20.1
162.31479	5.2
164.99860	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	149.045
Annotation	Ribulose
Peak:m/z	Relative Intensity
50.83047	1.4
51.39279	1.3
51.40711	1.4
53.94784	1.4
55.01768	1.9
57.82736	1.3
59.01261	11.0
61.58849	1.4
65.68920	1.4
67.01062	1.5
69.03324	2.9
70.87388	3.4
71.01267	32.4
71.01659	1.6
72.99177	2.0
73.02834	24.3
75.00740	3.2
85.02868	2.0
87.00780	11.4
89.02337	100.0
90.02691	4.6
103.03901	5.3
112.49371	1.6
121.02895	3.2
131.03458	11.9
132.03847	1.6
149.02585	2.0
149.04497	54.0
150.04816	3.0
153.58719	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	145.0137
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03331	24.3
68.06497	5.4
70.63776	16.9
71.01270	16.4
73.02831	25.7
83.01282	11.2
87.00772	7.3
101.02350	100.0
102.05510	18.5
115.00256	16.8
119.86588	4.6
128.03432	10.1
138.25545	4.8
142.47232	5.0
145.01373	15.2
154.21620	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	145.0136
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
52.58954	18.0
57.03337	40.5
59.01255	20.9
69.66546	100.0
69.66959	30.5
71.01277	68.5
73.02839	25.3
83.01263	25.0
87.00780	38.7
92.39677	16.4
99.00823	17.4
101.02354	98.9
102.05530	63.8
115.00285	56.5
128.03447	24.0
131.98991	18.1
145.01364	38.1
145.04955	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	146.0453
Annotation	D-Glutamate
Peak:m/z	Relative Intensity
55.01757	6.3
57.03336	12.9
57.69710	1.4
58.00473	5.7
59.01264	80.0
67.01782	2.6
68.99696	7.8
69.67484	4.6
69.67915	6.1
70.31152	1.6
71.01268	100.0
72.01624	2.5
72.99203	19.7
73.02832	6.2
74.02361	5.8
75.00762	41.1
76.89244	1.4
83.01305	9.8
84.04447	3.0
85.02836	25.2
87.00764	19.7
89.02333	15.3
96.99203	2.3
99.00186	1.1
99.00777	39.5
101.02345	8.9
102.05512	58.6
103.00270	5.5
103.05843	1.9
111.00797	9.7
116.03393	2.1
117.01856	4.8
118.02927	7.2
119.02390	2.1
126.70274	1.5
128.03459	26.6
129.01852	13.4
129.03883	1.5
146.02431	19.8
146.04478	13.0
146.07083	11.2
147.01933	2.9
147.02910	19.8
147.04434	6.1
158.10316	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	144.066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	1.6
59.01260	2.0
59.67427	0.7
71.01279	8.9
71.32330	1.6
73.02834	2.4
82.02873	2.5
83.01286	1.5
87.00779	2.8
98.05997	1.8
99.00759	1.6
101.02349	4.6
101.05946	1.0
104.34773	0.7
106.44061	0.8
115.00289	1.6
126.05511	6.2
127.00313	0.8
139.85385	0.7
142.05045	7.1
144.02957	2.5
144.06606	100.0
145.01347	1.8
145.05055	1.0
145.06937	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	144.066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.2
57.03327	2.4
58.02850	1.1
58.94076	0.8
59.01264	5.4
70.52794	0.7
70.93301	2.0
71.01269	19.4
71.04922	0.9
72.01624	1.7
72.99204	4.7
73.02831	3.2
74.93213	0.7
75.01779	0.8
76.70822	0.7
81.03349	0.9
82.02881	5.7
83.01285	4.2
83.04897	3.0
87.00775	8.7
96.04442	0.8
98.06039	2.1
99.00756	4.8
99.04403	0.9
100.03925	4.3
100.07565	0.9
101.02349	12.5
101.05965	3.1
102.05471	3.8
110.40758	0.7
112.01149	0.9
115.00275	9.8
126.05525	5.5
127.00292	5.3
129.07925	0.7
129.29936	0.8
142.05049	7.8
143.05368	1.2
144.00119	2.9
144.02965	14.0
144.04497	3.8
144.06595	100.0
144.10219	3.9
145.01376	8.7
145.04987	3.0
145.06967	6.9
153.58394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0191
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01763	1.7
59.26396	0.3
65.19112	0.3
65.99734	0.8
66.00854	1.5
66.03369	0.5
66.55299	0.4
67.01777	2.6
67.02913	0.4
68.01311	1.6
68.99704	0.9
70.66293	1.1
81.04494	0.5
82.02886	1.2
83.01270	2.1
83.02391	0.3
93.03378	1.7
94.02893	1.5
94.03683	5.3
95.01277	1.8
95.04884	0.7
96.00796	0.6
96.04469	0.6
96.05573	2.6
97.03979	1.4
108.02076	50.5
109.02416	2.7
109.03942	0.4
110.02395	0.8
111.00788	12.7
111.01946	0.5
111.04421	0.5
120.01923	0.9
123.00803	0.5
123.03142	0.6
124.01574	0.8
136.00313	0.5
138.01895	100.0
138.02698	4.1
138.05486	1.7
139.00322	7.9
139.02261	5.6
139.03941	1.9
139.05060	1.1
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
53.00206	17.6
58.02856	3.1
59.01266	9.9
59.18056	2.1
62.59779	1.9
68.99705	5.5
70.99638	4.7
71.00895	3.4
71.01270	44.0
79.98922	2.3
80.21603	1.9
80.99722	4.8
82.02864	4.1
83.01277	2.7
85.02831	4.2
87.00771	11.5
96.99213	17.5
98.06009	2.2
99.04413	2.6
100.03937	3.3
102.05505	6.1
111.00793	7.8
112.98716	24.0
115.00263	6.7
124.44603	2.0
124.98730	54.7
125.99078	3.6
126.05495	4.0
140.98186	10.6
142.05064	3.9
142.99792	100.0
143.03427	4.5
143.09050	2.7
144.00101	3.8
144.02975	8.8
144.06595	61.1
144.10248	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	137.0238
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
51.63371	0.2
65.03850	0.7
69.23050	2.1
91.52702	0.2
93.03360	100.0
94.03693	5.8
97.24017	0.2
98.19852	0.4
99.52614	0.2
100.48656	0.2
108.02090	0.7
136.81215	0.2
137.02376	22.8
138.01782	1.2
138.02805	1.5
150.97559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03835	0.7
65.99712	0.3
66.03377	0.4
67.02897	0.3
68.01295	0.3
70.91212	0.5
82.02869	0.3
91.01792	0.3
93.03358	100.0
94.03691	5.8
100.75592	0.3
106.29464	0.3
108.02087	1.6
109.02866	0.7
110.03512	0.3
120.01942	0.4
137.02374	24.4
138.01862	1.0
138.02794	1.9
138.05525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	7.3
62.45945	0.5
65.01330	1.3
65.99733	1.5
69.38496	0.4
71.01266	5.8
72.99200	15.5
73.02830	1.1
74.94883	0.5
75.00762	100.0
76.01096	1.8
78.95796	4.9
85.02846	1.9
86.73431	0.5
87.00780	3.8
89.02338	8.3
92.04990	0.6
93.03357	1.3
94.02886	0.6
96.96867	3.0
101.19807	0.5
101.21581	0.5
106.00549	0.7
106.04039	0.6
107.04911	1.3
108.02067	1.6
108.04485	0.6
117.01863	2.8
119.30328	0.5
134.91537	0.5
135.02924	31.1
135.04448	10.8
135.97064	1.8
136.01558	1.6
136.03154	1.0
136.04929	1.2
137.71320	0.5
141.28105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12186	0.2
50.84490	0.1
59.01269	1.3
60.05428	0.2
70.63772	0.2
70.64104	0.4
71.01269	62.2
72.01610	1.7
72.99196	14.0
73.99548	0.4
87.00779	1.3
89.02338	7.4
90.02693	0.2
110.62569	0.2
115.00283	100.0
116.00618	4.4
133.01352	28.3
134.01694	1.5
150.77666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
51.38259	0.9
54.87408	1.0
59.01272	1.5
66.75308	1.0
67.52100	0.9
70.81808	2.4
71.01271	63.0
72.01601	1.8
72.71194	0.9
72.76923	0.8
72.99197	14.3
87.00779	1.3
89.02342	7.9
115.00290	100.0
116.00610	4.3
133.01358	31.3
134.01750	1.3
134.04636	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	134.0466
Annotation	Adenine
Peak:m/z	Relative Intensity
50.00212	0.1
50.57536	0.1
52.65937	0.1
54.07365	0.1
56.82357	0.1
59.01262	0.4
60.70531	0.1
65.01323	1.2
65.99726	0.5
68.02420	0.2
69.72554	0.2
70.70721	0.3
71.01272	1.0
72.01594	0.6
72.99200	0.7
73.02837	0.4
73.99547	0.1
75.00760	2.3
80.02437	0.2
81.03329	0.2
81.73243	0.1
83.41331	0.1
85.02851	0.8
89.02353	0.3
91.02858	0.2
92.02434	4.9
93.02820	0.2
93.03341	0.5
106.04036	0.4
107.02510	0.9
107.03537	22.2
107.04959	0.7
108.02084	0.3
108.03230	0.3
108.03870	0.6
116.00616	1.5
117.00747	0.4
117.01860	0.1
132.34406	0.1
134.04645	100.0
135.01840	0.5
135.02892	0.8
135.04376	4.3
135.05074	2.5
135.06506	0.2
142.93747	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	135.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	7.3
62.45945	0.5
65.01330	1.3
65.99733	1.5
69.38496	0.4
71.01266	5.8
72.99200	15.5
73.02830	1.1
74.94883	0.5
75.00762	100.0
76.01096	1.8
78.95796	4.9
85.02846	1.9
86.73431	0.5
87.00780	3.8
89.02338	8.3
92.04990	0.6
93.03357	1.3
94.02886	0.6
96.96867	3.0
101.19807	0.5
101.21581	0.5
106.00549	0.7
106.04039	0.6
107.04911	1.3
108.02067	1.6
108.04485	0.6
117.01863	2.8
119.30328	0.5
134.91537	0.5
135.02924	31.1
135.04448	10.8
135.97064	1.8
136.01558	1.6
136.03154	1.0
136.04929	1.2
137.71320	0.5
141.28105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0867
Annotation	L-Leucine
Peak:m/z	Relative Intensity
57.03338	1.5
59.01259	1.7
65.01321	0.7
69.03337	0.6
69.10951	0.5
70.84859	1.2
71.01269	4.6
73.02837	9.2
73.60711	0.4
75.00732	0.5
83.38917	0.5
84.08070	0.5
85.02843	3.7
85.06469	0.8
85.81117	0.4
87.04407	7.4
88.03943	1.9
101.02348	0.9
113.02338	1.3
130.04065	3.4
130.08659	100.0
131.03488	4.3
131.07126	0.6
131.08154	0.7
131.09019	6.3
135.14415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0707
Annotation	2-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
57.03325	2.2
59.01254	2.3
64.00539	1.1
65.01332	12.5
65.99725	3.7
66.01665	2.1
67.02903	7.9
68.99699	1.4
69.03352	1.3
69.60024	5.0
71.01270	10.1
71.04914	0.9
73.02837	15.5
75.00768	1.2
77.01353	4.7
81.04486	1.8
85.02840	7.5
85.06480	100.0
86.06818	5.0
87.04409	6.9
88.03948	3.3
89.01347	11.2
90.00869	2.0
90.01686	1.1
91.02904	11.9
104.02464	3.6
105.04482	4.7
110.90847	0.9
113.02406	1.3
113.05990	1.3
117.44864	1.1
120.07297	0.8
129.05499	1.0
130.02744	2.1
131.03549	52.6
131.04396	5.4
131.07062	55.2
132.01976	2.5
132.02972	1.3
132.03922	3.1
132.05589	10.7
132.07381	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	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.8
61.06893	0.5
63.70381	0.5
68.62872	0.5
70.69106	1.2
70.69438	0.7
71.01270	63.5
72.01611	2.1
72.99195	13.8
87.00771	1.6
89.02331	6.6
115.00286	100.0
116.00616	4.8
116.07449	0.5
133.01352	28.0
133.05031	1.0
134.01678	1.3
134.34756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0347
Annotation	(R)-(+)-2-Pyrrolidone-5-carboxylic acid
Peak:m/z	Relative Intensity
55.01769	0.5
57.03345	2.3
60.32832	0.4
67.01785	3.8
68.99702	1.5
71.01268	0.5
71.54902	0.6
73.02831	0.5
82.02879	4.4
83.01305	0.7
84.04413	0.9
85.02844	6.9
90.01689	0.5
95.93974	0.5
99.00763	0.6
101.02349	0.5
104.38164	0.4
122.25238	0.4
128.03464	100.0
128.07106	11.6
129.01852	2.3
129.03128	0.4
129.03831	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	129.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05912	4.0
55.01758	15.3
57.03084	5.1
57.03338	61.1
58.02864	6.4
59.01257	5.7
65.01308	4.2
67.01775	100.0
68.99711	19.5
69.86562	3.8
70.22159	13.7
71.01272	19.8
72.99197	10.5
73.02836	8.8
83.01258	6.3
85.02847	44.8
87.00755	6.9
88.03931	42.5
98.20477	3.4
99.00755	5.4
101.02363	8.5
113.99471	6.9
129.01866	48.0
129.03853	6.0
129.05501	11.5
130.04031	25.4
130.08661	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
81.80219	0.1
83.01276	1.8
84.02061	0.1
85.02840	8.0
85.99976	0.6
86.03178	0.2
87.00770	3.4
87.04408	0.8
89.02338	1.0
93.03369	0.2
95.01287	1.6
96.95911	0.5
97.02848	3.4
99.00778	7.1
99.04389	0.3
100.01093	0.1
101.02342	3.3
103.03900	0.5
107.01301	0.1
108.02036	0.1
109.02837	0.2
111.00777	0.3
112.01587	0.1
113.02356	5.3
114.02693	0.1
115.00259	0.2
115.03930	1.0
119.03407	0.2
119.04920	0.1
121.02837	0.2
123.00780	0.1
124.01563	0.2
125.02363	10.3
126.02668	0.3
127.03917	0.2
129.01852	0.2
131.03419	2.6
132.47108	0.1
135.04434	0.2
137.02365	0.3
139.00282	0.3
141.01811	0.1
141.85609	0.1
143.02377	0.1
143.03438	2.4
145.04977	0.4
147.04405	0.1
147.55112	0.1
149.02385	0.1
151.00273	0.3
151.03896	0.1
152.00960	0.1
153.01852	0.1
157.01372	0.5
159.02963	0.3
161.04477	0.7
163.06104	0.5
167.03328	0.1
175.03854	0.1
177.01840	0.1
179.03389	0.1
189.04044	0.1
203.02351	0.1
205.07162	1.2
245.06677	0.2
247.08289	0.2
269.04568	0.2
271.06107	0.2
285.04263	0.1
287.07886	0.6
307.05963	0.1
315.95633	0.1
325.20526	0.1
439.35880	0.5
465.37448	0.5
535.41449	0.3
565.39203	0.4
567.40668	0.3
635.77606	0.1
681.43945	0.3
775.48199	0.1
887.47644	0.2
921.52344	0.7
1021.53387	0.3
1077.74182	0.1
1079.86792	0.1
1165.58044	1.1
1166.58276	0.2
1183.59253	100.0
1184.59644	22.5
1185.59802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1195.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01278	1.6
85.02872	0.2
93.03365	1.8
95.01293	0.1
98.19759	0.3
107.01296	6.3
108.02077	0.4
113.02310	0.1
113.99503	0.1
117.03372	0.3
119.04943	10.6
120.05288	0.3
121.02872	0.2
125.02360	1.6
125.61412	0.1
135.04391	0.1
136.01549	0.2
137.02399	0.2
143.04990	0.2
145.02892	1.7
149.02292	0.2
151.00308	33.0
152.00735	0.7
153.01747	0.1
161.02405	0.1
161.06058	0.3
164.01065	0.3
165.01884	1.2
167.03490	0.3
168.30547	0.1
168.72430	0.1
169.01384	1.2
175.00359	0.9
177.01888	2.5
185.06020	0.8
187.03970	0.5
189.01828	0.1
193.01418	1.2
196.00116	0.3
199.07710	0.1
205.01414	0.4
217.01323	0.3
227.07137	1.0
229.05093	0.4
230.06868	0.2
235.02495	1.6
269.04492	0.6
270.05319	0.3
271.06177	30.6
272.06512	1.7
295.06107	0.2
313.07166	1.7
339.07303	1.4
357.08469	0.3
373.09454	0.3
441.10867	0.2
459.11621	6.6
460.12125	0.5
547.15118	0.2
577.15955	0.2
579.17310	100.0
580.17645	8.0
581.18030	0.2
613.21265	0.3
614.21576	0.3
615.14789	3.2
616.15558	0.3
627.39343	0.2
784.52777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01276	3.6
85.02849	0.5
87.00781	1.9
89.79351	0.3
93.03372	2.4
95.01279	1.3
95.74632	0.4
96.99235	0.4
98.19852	0.7
99.00780	0.8
101.02353	0.7
103.54950	0.3
107.01295	10.9
108.02074	1.3
109.02863	2.3
109.99997	5.4
111.00790	1.4
117.03367	1.4
119.04949	13.6
120.05286	1.0
121.02839	0.6
123.00814	1.9
123.04445	0.5
124.01601	1.6
125.02370	7.6
125.99513	0.4
133.02873	1.4
134.03627	1.2
135.00841	0.4
135.04454	19.6
136.01628	0.4
136.04774	0.4
136.98734	2.9
137.02368	1.3
137.99500	1.8
139.00323	5.8
140.01111	0.7
141.01884	0.5
143.04884	0.6
145.02905	1.3
149.02357	1.1
151.00310	50.8
152.00989	2.3
153.01866	4.8
159.03012	0.5
161.02379	3.6
162.02705	0.4
164.01181	0.4
164.98221	2.9
165.01839	1.9
165.99028	4.6
166.99809	8.4
167.03456	1.4
169.01369	1.4
175.00311	1.3
176.01212	0.6
177.01903	7.1
178.99858	0.7
179.03484	0.8
180.00658	2.8
181.01350	2.2
185.06099	0.9
187.03972	0.5
189.01891	0.4
191.03513	1.2
192.00580	0.9
193.01421	3.6
198.02655	0.3
201.05635	0.5
203.06947	0.4
205.01399	0.8
217.01442	0.7
220.03517	0.5
225.05573	0.5
227.07249	0.5
229.05101	0.9
233.06670	1.2
235.02499	2.6
241.05119	1.1
243.06606	0.7
257.04370	0.5
258.05185	0.5
259.06134	1.1
268.03659	0.4
269.04620	2.9
270.04865	0.5
271.06183	17.4
272.06470	2.3
273.07050	0.5
284.03116	0.8
285.04135	4.6
286.04849	12.7
287.05624	13.4
288.06158	0.8
295.04575	0.6
313.07166	0.5
321.08246	1.1
329.06714	0.7
339.07288	2.0
357.07889	0.4
431.10007	0.8
449.11987	0.5
459.11563	7.1
469.09982	0.6
475.10803	1.7
485.13162	1.3
501.12659	2.0
515.26178	0.4
547.14874	0.6
548.16364	0.5
577.15918	1.2
579.17358	24.7
580.17676	4.2
581.18335	0.5
593.15308	2.9
594.15863	5.9
595.16803	100.0
596.17047	8.8
597.18115	0.7
611.16229	1.4
694.40491	0.4
883.63757	0.4
1119.02991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
64.41245	0.3
69.35301	0.6
69.35705	1.9
71.01273	0.9
73.02837	100.0
74.03169	2.6
98.19832	0.6
99.00784	8.8
99.92490	0.7
112.67963	0.3
116.92778	3.0
117.01857	21.0
118.02201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03334	0.3
81.87568	0.2
83.01279	5.5
85.02853	0.8
87.00759	0.6
89.02316	0.3
93.03365	0.8
95.01285	0.5
96.95938	0.7
97.02843	0.4
99.00782	0.5
101.02332	0.8
104.12746	0.3
107.01295	17.8
107.04950	0.3
108.02091	2.4
108.99214	0.4
109.02869	1.8
110.00011	2.3
113.02335	0.8
117.03418	0.4
119.04935	3.2
121.02879	1.1
123.00810	0.6
123.04427	0.4
124.01568	0.9
125.02370	5.5
131.01337	0.7
133.02892	0.4
134.03625	0.4
135.00797	0.4
135.04454	2.7
136.01569	1.6
137.02379	1.6
143.04956	0.8
145.02893	1.0
146.03658	0.3
147.04448	0.7
148.01549	0.7
148.05212	0.3
149.02383	2.5
150.03163	8.0
151.00308	55.8
152.00835	1.9
153.01854	0.6
159.04488	0.6
160.01645	0.3
161.02376	1.7
161.04503	0.5
161.05838	0.4
163.03992	0.5
164.01103	0.7
164.04720	0.5
165.01822	1.9
165.05595	0.4
166.02615	0.9
167.03441	0.9
167.04828	0.5
167.48447	0.2
169.01314	1.8
169.06592	0.3
170.60692	0.3
173.02435	0.4
174.03203	0.4
175.00323	2.7
175.02565	0.4
175.03993	0.9
176.01068	1.7
177.01857	2.1
179.03462	0.7
181.05051	0.6
183.04494	0.4
183.08136	1.0
184.08241	0.3
185.06033	1.0
187.03998	0.6
189.01941	0.5
189.99081	0.4
190.02708	0.8
191.03406	0.3
191.08681	0.4
193.01410	1.9
193.05042	0.4
193.08722	0.3
195.06477	0.5
196.00076	0.6
199.04018	1.2
200.04672	0.3
201.01907	0.7
203.03641	0.3
205.01402	1.1
205.05054	0.7
206.07477	0.3
207.08125	1.0
209.06139	0.4
211.03958	0.7
211.07658	0.3
212.04723	0.4
213.05571	0.5
214.02809	0.3
215.03481	0.8
217.01392	0.4
217.05043	0.4
223.03987	1.0
223.06030	0.5
225.05717	0.3
225.09305	0.6
227.03503	0.8
227.07169	1.9
233.09773	0.3
235.02536	1.5
235.07669	0.8
239.07233	0.5
240.04329	0.9
241.05090	1.0
243.03036	0.8
249.09335	0.6
251.07207	1.0
251.49628	0.3
252.08054	1.5
253.08727	16.0
254.05807	0.3
254.09076	1.0
255.03091	0.5
256.03735	1.0
257.04453	0.9
267.02893	0.4
269.04626	0.7
270.05295	0.4
271.06158	5.8
276.07968	0.5
277.05542	0.3
277.08682	5.0
279.06689	10.8
280.07022	0.7
281.04678	0.4
284.03323	5.2
285.04117	6.4
286.04428	0.3
287.05627	0.6
291.10355	1.1
292.07599	0.3
293.04758	0.4
293.08148	0.6
294.05551	0.3
295.09671	1.2
299.05701	0.4
303.06845	0.6
309.04102	0.6
315.07120	0.8
315.12506	2.4
316.12811	0.4
317.08301	0.4
318.08881	0.5
319.09827	4.8
320.10287	0.4
321.07761	6.6
322.08212	0.4
333.11386	0.6
335.05487	0.5
337.10907	1.2
339.08792	1.9
345.07654	0.4
347.05707	0.7
357.08429	0.4
361.10895	5.9
361.15155	0.5
362.11224	0.6
363.08844	1.2
367.10440	0.3
379.08340	1.2
387.08859	1.1
404.08945	0.6
405.09866	39.5
406.10190	2.9
419.11844	0.3
429.10040	1.4
431.07755	4.3
432.08389	0.5
447.10852	1.6
459.11642	3.1
460.12198	0.5
471.10904	0.4
477.12579	1.1
519.18842	1.2
549.15234	0.6
579.17157	1.2
593.15277	5.5
594.15613	0.8
627.25049	0.7
713.20898	8.0
714.21411	1.0
739.19080	1.8
775.16974	0.3
865.21808	2.4
937.48383	0.3
975.05609	0.3
984.90601	0.3
1011.33765	0.8
1173.33179	100.0
1174.33496	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	115.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44867	2.5
59.01257	16.3
69.47345	3.3
70.42688	9.4
70.43056	5.5
71.01270	100.0
71.04893	5.5
74.02353	4.3
87.00755	7.0
96.64006	2.8
105.55147	3.2
115.00272	12.1
115.05855	11.3
116.07095	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01283	1.3
83.12708	0.1
85.02876	0.5
89.02351	0.2
93.03382	0.4
95.01280	0.2
101.02345	0.3
105.03364	0.2
107.01293	6.3
107.04935	0.1
108.02117	0.3
109.02857	1.5
113.02354	0.2
117.03383	0.4
119.04980	0.2
121.02858	0.7
123.00754	0.2
125.02360	1.3
131.01297	0.3
132.02094	0.4
133.01863	0.3
133.02861	4.2
133.03818	0.2
134.03688	2.3
135.04449	19.1
136.01575	0.4
136.04799	0.6
137.02385	0.4
145.02934	0.3
147.04565	0.2
149.02356	1.0
151.00305	31.3
152.00623	0.8
161.02380	1.9
162.02989	0.2
163.00317	1.8
163.03984	0.6
164.01079	0.7
165.01874	0.9
167.03406	0.2
169.01378	0.7
171.04539	0.2
173.02406	0.4
174.03137	0.2
175.00333	1.9
175.03943	1.4
177.01910	1.2
183.04500	0.2
187.03902	0.3
189.01978	0.4
191.03355	0.3
193.01395	1.5
196.00168	0.2
197.06116	0.2
199.04007	0.6
200.04478	0.2
201.01898	1.1
201.05592	0.2
202.02794	0.3
203.03452	0.4
205.01390	0.8
209.06168	0.2
211.04021	0.4
211.82809	0.1
213.05475	0.3
214.06300	0.3
215.03429	0.2
217.01421	0.5
217.05042	0.4
224.04829	0.2
225.05536	0.9
226.06432	0.2
227.03516	0.7
229.05183	0.4
235.02448	2.2
237.05540	0.3
239.07104	0.2
240.04288	0.2
241.05119	1.2
242.05731	0.4
243.03006	0.3
251.03445	0.3
253.05249	1.2
254.05809	0.4
255.03050	0.7
255.06683	0.2
256.03815	0.6
257.04303	0.3
265.05103	0.4
267.03058	0.4
267.06613	0.2
268.03665	0.2
269.04584	2.0
270.05338	1.2
270.31317	0.1
271.02585	0.2
271.05881	0.2
281.04669	0.9
282.05420	1.4
283.02567	0.2
283.06049	0.3
284.00934	0.3
284.03320	11.5
285.04056	23.9
286.04401	7.1
287.05246	2.7
293.04544	0.3
295.04865	0.2
297.04092	14.0
298.04868	64.2
299.05380	10.1
300.05548	1.5
309.04120	12.1
310.04575	1.5
311.05585	2.8
312.06039	0.3
314.04370	0.7
322.04822	0.4
323.05725	0.6
324.02914	0.5
325.03607	3.2
325.07147	0.3
326.04349	4.1
327.05142	20.4
328.05481	2.2
329.05798	0.4
330.03842	6.4
331.04050	0.7
337.03574	0.7
337.07220	0.3
338.04300	1.7
339.04843	4.9
340.05228	0.7
341.06577	0.9
351.05087	1.4
352.05414	0.3
353.03067	3.7
353.06860	1.0
354.03400	0.6
355.04599	0.6
356.05298	0.4
357.06195	13.3
358.06549	1.5
359.06952	0.3
363.05252	0.5
369.06293	1.3
370.03143	0.2
371.07730	0.3
381.06213	2.1
383.07761	0.5
385.05664	0.5
398.06235	0.9
399.07263	11.8
400.07645	1.4
401.07874	0.2
416.07520	0.8
417.08405	1.8
418.08847	0.3
447.09558	0.5
448.09702	0.4
449.10287	0.2
459.11536	6.0
460.11929	0.4
473.10980	23.7
474.11313	3.1
475.11172	0.7
545.13086	0.6
562.13037	0.4
563.14154	100.0
564.14490	14.2
565.14740	4.1
566.15540	0.2
593.15222	10.6
594.15576	12.1
595.16675	69.5
596.17023	6.4
1159.39819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
59.01272	4.4
66.03370	1.7
69.41112	4.3
69.41518	0.9
69.79720	0.5
71.01269	40.8
71.04911	0.9
73.03969	0.5
76.08765	0.5
85.02857	0.9
86.02366	1.2
86.03188	1.1
86.05997	3.0
87.00759	1.4
94.81600	0.5
109.91309	0.6
111.13549	0.6
111.58188	0.6
114.05519	100.0
115.00302	5.0
115.03946	0.9
115.05896	3.9
115.06561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0552
Annotation	L-Proline
Peak:m/z	Relative Intensity
55.02835	0.4
59.01265	3.1
59.07196	0.4
66.03381	2.7
70.30769	1.7
70.31109	0.6
71.01269	10.8
71.04899	2.0
72.00804	0.9
73.03958	2.4
86.02351	1.1
86.03175	0.7
86.06039	0.4
87.00767	2.4
112.03969	0.6
114.05522	100.0
114.93337	1.1
115.00286	2.1
115.03918	0.8
115.05859	4.9
130.83430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95625	10.6
83.01241	0.0
85.02821	0.2
87.00764	0.1
89.02344	0.1
94.97968	0.1
95.01238	0.1
95.97453	0.1
96.95912	100.0
97.02815	0.1
97.95849	0.2
99.00800	0.1
101.02356	0.1
113.02369	0.1
114.93346	0.0
125.02345	0.2
131.03398	0.1
143.03421	0.1
146.18044	0.0
176.97986	0.0
205.07114	0.1
209.17853	0.0
277.45020	0.0
282.61499	0.0
417.48093	0.0
712.53790	0.0
725.42688	0.0
776.18188	0.1
783.16541	0.0
875.69690	0.0
1051.55090	2.7
1052.55225	0.7
1059.29419	0.0
1089.50452	0.1
1149.51147	0.5
1150.52576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7147
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04952	0.1
81.03349	3.4
83.01277	5.1
83.04915	8.0
84.05240	0.2
85.02843	1.8
87.00777	0.4
89.02339	1.6
95.01290	0.7
96.95926	0.1
97.02853	0.4
98.19725	0.1
99.00797	0.4
100.07588	0.2
101.02345	11.4
102.02708	0.3
107.06057	0.2
108.02094	0.2
108.04467	0.4
109.02850	0.1
113.02358	5.1
114.02646	0.1
119.03423	1.6
119.04900	0.1
119.45035	0.1
121.02888	0.1
122.03593	0.1
125.02378	0.8
125.07123	0.6
126.05480	0.2
131.03435	1.4
136.01573	0.1
137.02405	0.2
143.03426	1.5
143.08214	0.3
145.02921	0.1
149.02406	0.3
149.04492	3.2
150.03130	0.2
150.04846	0.1
151.00301	0.2
151.03918	0.2
152.01097	0.3
153.01874	0.1
155.03458	0.4
161.04503	5.1
162.04868	0.2
164.04701	0.1
165.05531	0.2
166.02626	0.2
166.05020	0.1
175.04030	0.1
179.05591	0.1
180.04140	0.1
181.05003	0.1
181.17024	0.1
191.05592	0.1
196.07323	0.1
203.05598	1.0
207.15028	0.9
211.09740	0.1
221.06662	2.4
222.06996	0.2
223.06097	0.2
224.17700	1.6
225.16089	9.7
226.16422	0.5
229.41083	0.1
242.18846	0.4
250.15559	0.1
268.16681	0.2
269.04608	0.8
270.05014	0.1
290.22159	0.1
291.20981	0.2
305.08914	0.1
309.21881	0.8
315.07333	0.3
324.26736	0.3
333.23108	0.5
335.05853	0.1
339.27689	0.1
341.29300	0.7
351.23975	0.2
367.27167	1.2
368.26755	0.1
369.78845	0.1
371.20844	0.4
385.28201	0.4
407.34125	0.2
413.21927	1.9
414.21927	0.2
422.19720	0.1
433.31870	1.1
439.19662	0.1
450.34601	1.1
451.33014	8.7
452.33176	0.9
468.36072	0.2
476.32892	0.1
533.67633	0.1
535.38568	0.2
550.43622	1.1
551.43799	0.2
559.39813	0.4
565.44714	0.3
567.46045	0.2
577.41492	0.1
593.44177	0.9
594.44244	0.1
659.37653	0.1
659.48773	2.8
660.49249	0.5
677.49841	100.0
678.50140	14.6
679.50323	2.2
861.13080	0.1
1135.57690	0.8
1136.56055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01781	0.2
83.01272	1.0
85.02855	0.2
91.05418	0.2
93.03355	1.0
100.27657	0.1
107.00626	0.2
107.01298	3.1
109.02879	0.5
117.03375	2.6
119.04931	0.4
121.02859	0.2
123.04383	0.2
125.02372	1.0
131.04973	0.2
133.02875	0.6
134.03653	0.5
135.04456	10.1
136.04800	0.2
137.02367	0.4
147.04465	0.6
148.01549	0.2
149.02377	0.6
149.06065	0.2
151.00310	15.1
152.00684	0.4
152.77467	0.1
159.04471	0.5
161.02390	2.1
161.05956	0.3
162.03159	0.3
163.03966	0.9
164.01158	0.2
165.01851	0.4
167.03531	0.2
169.01392	0.3
173.02370	0.3
173.06032	0.2
174.03053	0.2
175.00333	0.6
175.03946	0.9
177.01889	0.6
177.05495	0.8
179.03476	0.5
185.02515	0.2
187.04037	0.3
189.01903	0.7
189.05569	0.3
191.03484	1.1
193.01363	0.6
197.06108	0.4
199.03978	0.5
201.02011	0.2
202.02879	0.1
203.03482	0.8
205.01390	0.3
205.05092	0.5
211.07748	0.2
215.03432	0.4
217.01445	0.4
217.05058	0.6
218.15002	0.1
221.04584	0.5
223.07686	0.3
225.05559	0.3
227.03610	0.2
227.07053	0.2
233.04633	0.5
235.02469	1.1
235.07767	0.2
237.05611	0.3
237.17183	0.1
239.07219	0.3
241.05190	0.3
243.03233	0.2
245.04552	0.3
251.07127	0.5
253.05078	0.2
253.08759	0.5
254.05687	0.2
255.05968	0.1
257.04672	0.2
263.07156	0.2
267.06699	0.5
268.07486	0.9
269.04745	0.7
269.07855	0.2
270.05087	0.2
277.05316	0.1
279.06714	0.3
281.04736	0.7
281.07559	0.2
282.05350	1.6
283.06186	3.2
284.03345	2.4
285.04059	4.9
286.04468	1.6
287.05734	1.2
293.04504	0.4
293.07977	0.3
294.05347	0.4
295.06216	3.7
296.06937	1.9
297.07736	14.5
298.08038	1.1
305.08383	0.2
306.05478	0.4
307.06177	1.8
308.06805	0.3
309.04300	0.3
309.07733	2.1
311.05649	3.2
312.06110	0.8
314.04211	0.2
319.06287	0.2
321.04254	0.2
321.07874	0.4
322.04855	0.3
323.05676	3.5
323.09348	0.3
324.06381	1.3
325.07257	5.9
326.07639	0.6
327.05176	0.5
328.05948	2.1
328.70950	0.2
329.06293	0.3
335.05688	1.0
336.06195	0.2
337.07281	3.0
338.07477	0.3
339.07349	0.5
340.05911	0.2
341.06644	0.7
342.07339	0.3
347.05682	0.3
349.07147	0.3
351.04950	0.4
353.06741	26.3
354.07111	2.4
355.08087	1.1
356.05347	0.7
361.07303	0.2
365.06741	4.6
366.06946	0.4
367.08353	0.2
370.06873	0.6
371.07736	0.2
372.08835	0.2
377.07068	0.2
379.08453	0.7
381.06290	0.5
383.07800	23.3
384.08124	2.2
385.08362	0.3
389.06781	0.4
395.07755	2.7
397.09387	0.6
407.07755	0.9
409.09036	0.2
413.08887	3.0
414.09354	0.4
414.88324	0.2
425.08923	2.9
426.09265	0.4
437.08896	0.2
441.08694	0.2
443.09937	13.0
444.10107	1.4
455.09949	1.3
456.10214	0.2
459.11563	2.9
473.11014	9.1
474.11444	1.1
475.11804	0.2
485.11145	0.5
489.10474	0.3
491.12195	0.3
497.10626	0.4
503.12372	0.2
515.11896	1.7
516.12811	0.2
533.13129	100.0
534.13464	11.7
535.14038	2.9
593.15326	4.3
594.15515	3.1
595.16760	30.3
596.17200	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	1123.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95792	59.9
96.96864	4.5
150.97964	1.0
152.99524	71.2
153.99829	0.6
171.00594	20.5
172.01007	0.2
227.03279	3.2
245.04341	76.9
246.04691	1.3
253.21759	34.0
254.22087	1.5
418.19427	0.2
429.43207	0.2
481.25812	100.0
482.26184	5.9
572.15295	0.2
641.22046	0.2
795.23059	1.4
869.26416	0.2
887.27258	0.3
895.44769	0.7
1123.49219	25.2
1124.49390	5.8
1124.74744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01764	0.1
83.01286	0.3
85.02840	1.3
89.02353	0.5
93.03368	0.3
97.70670	0.1
101.02345	0.5
103.03958	0.3
107.01299	0.4
117.03367	4.9
118.03709	0.2
119.04938	0.7
121.02874	0.1
125.02337	0.2
131.01318	0.9
133.02902	0.2
145.02879	0.2
149.02405	0.4
151.00317	1.7
154.98735	0.1
159.04431	0.1
161.02383	0.6
163.00330	0.3
163.03966	0.6
165.01851	0.1
173.02399	3.1
175.00333	5.1
175.03894	0.2
176.00714	0.2
177.01886	0.2
179.03540	0.1
185.02385	0.2
193.01421	0.2
193.06656	0.2
203.03426	0.2
209.05940	0.1
221.06168	0.2
225.05519	0.2
227.03453	0.2
237.05693	0.2
239.07059	0.2
248.04785	0.1
249.05663	0.5
251.03642	0.2
253.05156	0.2
265.05115	0.5
268.03760	0.2
269.04599	2.1
271.06128	1.2
279.06912	0.1
281.04642	1.6
282.05411	1.1
283.06177	4.3
284.06570	0.2
291.06720	0.1
293.04630	76.9
294.04959	4.1
295.02844	0.2
295.06085	1.1
306.05429	0.3
307.06226	0.3
308.03293	0.1
309.04034	0.3
310.04825	0.2
311.05685	8.1
312.06097	0.4
314.04364	0.8
323.05676	2.7
324.06018	0.2
335.05728	1.3
337.07236	0.3
341.06744	3.2
342.06873	0.2
347.05603	0.3
353.06500	0.2
355.08759	0.1
365.06760	0.4
383.07803	37.3
384.08084	2.4
401.08865	0.3
404.01535	0.1
457.11389	1.1
459.11728	0.3
492.88220	0.1
546.15143	0.1
547.14685	100.0
548.15063	7.4
549.15057	0.2
579.17334	3.6
580.17419	0.5
633.29065	0.1
776.73010	0.1
1053.08313	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	1121.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	0.2
83.01273	1.4
85.02838	2.2
86.00000	0.6
87.00771	2.7
87.04415	0.8
89.00224	1.7
89.02341	2.1
93.03356	7.4
95.01344	0.3
96.95910	0.5
98.19740	0.3
99.00786	0.4
99.04432	0.2
101.02347	5.1
103.03912	1.9
107.01299	3.0
108.02061	0.3
109.02876	0.6
113.02355	1.3
115.03929	0.6
116.92784	0.2
117.03372	0.9
119.01286	0.3
119.03449	1.8
119.04941	21.7
120.05280	0.6
121.02859	0.6
123.04441	0.2
125.02373	1.4
127.03953	0.2
131.03415	1.7
132.02156	0.2
133.02882	0.3
134.03619	0.2
135.00810	0.4
135.04425	0.3
137.02379	0.4
137.06007	0.2
143.03450	2.0
143.04680	0.2
143.05011	0.2
145.02905	1.2
145.05014	0.6
148.01578	0.3
149.02374	0.3
150.03285	0.2
151.00308	8.5
152.01051	0.2
153.01924	0.2
161.02330	0.2
161.04533	0.4
161.05963	0.2
163.00319	1.3
163.06068	7.1
164.04671	0.2
164.06474	0.2
165.01891	1.2
165.05550	0.2
167.03493	0.2
169.01378	0.4
175.00320	0.2
177.01865	0.9
185.06078	0.2
187.03990	0.4
187.07692	0.2
189.01842	0.2
195.06360	0.1
205.07144	4.3
227.07193	0.4
228.50696	0.2
231.06567	0.2
235.02457	0.2
241.05476	0.1
245.06499	0.2
247.08253	2.6
253.05153	0.2
256.07404	0.2
267.81393	0.1
269.04691	0.3
271.06155	4.2
272.06427	0.3
275.07263	0.2
281.04843	0.2
283.06198	0.3
285.04007	0.2
291.06647	0.3
292.07452	0.2
293.04626	0.4
293.08304	0.6
295.05972	0.2
300.02722	0.2
307.10129	0.2
309.04132	0.2
311.05505	0.2
319.06100	0.4
320.06998	0.2
321.04114	0.2
321.07849	0.3
323.05762	0.3
323.09329	1.1
323.12955	0.3
335.05591	0.5
335.09323	1.1
337.07297	0.5
348.10205	0.2
349.10809	0.4
351.08755	0.9
363.05014	0.5
363.08801	1.0
364.09561	0.3
365.10672	0.7
366.11227	0.8
367.11646	0.2
368.10242	0.2
377.10336	0.9
378.11087	1.3
379.07834	0.2
379.11945	0.5
389.06708	0.6
395.11456	0.2
396.12244	0.2
397.10904	0.4
401.14456	0.2
409.12747	0.2
411.13065	0.2
425.10324	0.4
426.11472	0.4
438.11142	0.4
439.12103	0.5
441.09900	1.7
442.10092	0.2
443.11591	0.2
449.10123	0.2
453.09839	0.4
454.10550	0.3
455.11511	1.2
456.12039	0.4
459.11481	0.6
467.06903	1.2
468.12814	0.2
469.09256	3.8
470.10031	1.0
471.11264	0.6
481.08984	0.8
482.10263	0.3
483.10956	6.1
484.11710	1.5
485.12427	0.4
495.11060	0.3
496.07730	0.3
497.08041	1.8
498.09143	0.8
499.10303	0.4
507.11032	0.2
509.08762	2.0
510.09653	0.4
511.10440	5.1
512.11200	3.8
513.11987	4.6
514.11859	0.3
523.10236	0.7
524.11176	1.2
525.11896	2.3
526.12494	0.9
527.13666	0.8
529.17389	1.4
538.12872	0.2
539.13757	1.4
541.17303	3.7
542.17676	0.4
571.14099	0.2
579.17230	2.5
589.15027	0.8
591.17188	0.2
603.16864	0.6
617.14368	1.3
618.15271	0.4
619.16052	0.2
631.16388	1.7
632.16919	1.0
633.17798	10.8
634.18121	1.1
647.17981	1.0
649.19019	0.3
657.16522	0.3
673.16046	0.5
675.17303	16.6
676.17444	2.3
689.18640	1.4
693.18463	0.5
701.18860	0.7
795.23108	100.0
796.23425	14.6
796.38776	0.4
1121.35083	8.3
1122.35059	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	1115.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95818	0.3
83.01270	2.8
85.02841	8.4
85.99980	1.0
87.00768	4.9
87.04392	1.1
89.02339	5.2
92.23228	0.3
93.03349	0.9
95.01276	2.3
95.04894	0.3
96.95913	2.1
97.02848	0.6
98.19855	0.6
99.00781	9.8
99.04413	0.5
101.02349	8.6
103.03903	0.5
108.02085	0.9
109.02897	0.8
111.00819	1.0
112.01559	0.4
113.02353	7.0
115.03925	1.1
117.03383	0.5
119.03433	1.8
119.04942	1.0
121.02875	0.5
123.04451	0.3
125.02374	2.8
129.01784	0.3
131.00624	0.3
131.03415	3.3
133.02882	0.7
134.03647	0.6
135.04396	1.1
137.02362	1.0
139.00351	0.4
143.03435	3.4
145.02841	0.4
145.05060	0.5
149.02342	0.7
149.05992	0.3
150.03175	0.9
151.00302	1.6
151.03935	0.8
152.01105	1.0
153.01875	0.6
157.01358	1.0
159.03006	0.4
160.01602	0.3
161.02377	0.8
161.04512	1.0
163.03926	0.4
164.04825	0.4
165.01945	0.5
165.05507	1.1
166.02719	0.4
167.03502	0.5
175.02525	0.4
177.01891	0.6
179.03503	0.6
181.04938	0.8
193.05011	0.4
205.05334	0.5
205.07036	1.7
209.95023	0.3
269.04733	0.8
271.06116	0.6
277.39899	0.4
285.04239	0.8
287.05643	0.9
312.05847	0.3
351.08871	1.2
545.13544	0.6
721.70880	0.4
733.91467	0.3
789.40698	0.6
807.42316	0.4
1071.73755	0.4
1097.51404	0.4
1099.16406	0.4
1115.53223	100.0
1116.53516	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	1119.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95790	0.1
79.95625	9.8
85.02828	0.2
87.12482	0.1
92.07470	0.1
94.97974	0.1
95.97507	0.1
96.95911	100.0
97.02844	0.1
97.95852	0.2
99.00826	0.1
113.02375	0.1
114.93322	0.1
125.02348	0.2
143.03450	0.1
433.84128	0.1
439.03931	0.1
644.66046	0.0
844.94812	0.1
1021.54144	1.6
1022.54346	0.3
1059.49158	0.2
1119.51685	0.3
1120.52234	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	1115.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95818	0.3
83.01270	2.8
85.02841	8.4
85.99980	1.0
87.00768	4.9
87.04392	1.1
89.02339	5.2
92.23228	0.3
93.03349	0.9
95.01276	2.3
95.04894	0.3
96.95913	2.1
97.02848	0.6
98.19855	0.6
99.00781	9.8
99.04413	0.5
101.02349	8.6
103.03903	0.5
108.02085	0.9
109.02897	0.8
111.00819	1.0
112.01559	0.4
113.02353	7.0
115.03925	1.1
117.03383	0.5
119.03433	1.8
119.04942	1.0
121.02875	0.5
123.04451	0.3
125.02374	2.8
129.01784	0.3
131.00624	0.3
131.03415	3.3
133.02882	0.7
134.03647	0.6
135.04396	1.1
137.02362	1.0
139.00351	0.4
143.03435	3.4
145.02841	0.4
145.05060	0.5
149.02342	0.7
149.05992	0.3
150.03175	0.9
151.00302	1.6
151.03935	0.8
152.01105	1.0
153.01875	0.6
157.01358	1.0
159.03006	0.4
160.01602	0.3
161.02377	0.8
161.04512	1.0
163.03926	0.4
164.04825	0.4
165.01945	0.5
165.05507	1.1
166.02719	0.4
167.03502	0.5
175.02525	0.4
177.01891	0.6
179.03503	0.6
181.04938	0.8
193.05011	0.4
205.05334	0.5
205.07036	1.7
209.95023	0.3
269.04733	0.8
271.06116	0.6
277.39899	0.4
285.04239	0.8
287.05643	0.9
312.05847	0.3
351.08871	1.2
545.13544	0.6
721.70880	0.4
733.91467	0.3
789.40698	0.6
807.42316	0.4
1071.73755	0.4
1097.51404	0.4
1099.16406	0.4
1115.53223	100.0
1116.53516	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	1114.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03372	0.2
83.01282	1.3
84.02070	0.1
85.02843	4.9
85.99966	0.5
87.00771	3.1
87.04399	0.8
89.01836	0.2
89.02339	2.2
95.01286	1.4
96.95901	0.1
97.02850	2.4
99.00781	4.2
99.04422	0.2
101.02348	4.6
102.02657	0.1
103.03928	1.0
111.00777	0.2
112.01584	0.2
113.02362	4.3
113.03162	0.2
115.00281	0.2
115.03932	1.0
118.91226	0.1
119.03410	0.7
125.02370	3.7
126.02682	0.1
127.03944	0.1
131.03429	2.1
139.00273	0.2
141.01903	0.1
142.02649	0.1
143.03438	2.5
145.04977	0.4
157.01366	0.4
161.04489	0.7
163.06059	0.8
205.07175	1.7
231.51271	0.1
247.08217	0.1
439.35764	0.2
465.37485	0.2
565.39075	0.9
567.40375	0.2
581.46588	0.1
635.43585	0.3
725.42950	0.3
863.51630	0.1
932.47906	0.1
951.52875	0.2
1033.53796	1.2
1051.55029	100.0
1052.55359	20.9
1115.58362	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	1111.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01779	0.2
83.01270	0.2
84.91843	0.1
85.02841	0.1
86.80325	0.1
88.70454	0.1
93.03356	0.5
95.01315	0.2
98.08686	0.1
101.02368	0.1
107.01275	0.1
108.02065	0.1
109.02832	0.1
117.03374	2.8
118.03754	0.1
119.04906	0.4
121.02863	0.1
131.01355	0.1
131.04941	0.2
133.02890	0.1
133.06552	0.1
135.04460	0.8
137.02357	0.2
145.02907	0.2
147.04443	0.3
148.01694	0.1
149.02367	0.6
149.06017	0.2
151.03979	0.2
159.04475	0.4
161.02383	1.2
161.06055	0.1
162.03079	0.1
163.00244	0.1
163.03967	0.8
171.04535	0.1
173.02408	0.7
173.06006	0.2
175.00351	0.7
175.03954	0.9
177.01926	0.3
177.05498	0.7
179.03360	0.4
183.04504	0.1
185.02394	0.2
187.04109	0.2
189.01888	0.5
189.05533	0.3
190.02586	0.1
191.03484	1.1
193.05060	0.1
197.06055	0.2
201.05594	0.1
203.03479	0.8
205.01364	0.1
205.04988	0.5
209.06148	0.1
210.06847	0.1
215.03468	0.3
217.05075	0.3
219.02968	0.1
221.04466	0.6
223.07629	0.2
224.08443	0.1
225.05632	0.2
225.09283	0.1
226.09988	0.1
227.03609	0.1
227.07411	0.1
231.02977	0.1
233.02493	0.1
233.04509	0.6
235.07729	0.1
237.05608	0.2
237.09267	0.1
238.06418	0.2
239.07268	0.2
241.05060	0.2
245.04666	0.3
249.05736	0.2
251.07204	0.3
253.05058	0.2
253.08754	0.3
254.05898	0.1
263.05402	0.1
263.07431	0.1
265.05249	0.2
265.08640	0.1
266.05792	0.2
267.06805	0.4
268.03574	0.1
268.07532	0.4
269.04651	0.3
275.05658	0.1
279.06750	0.2
281.04581	0.9
281.07513	0.1
282.05389	1.4
283.06171	2.8
284.06577	0.2
291.06772	0.1
293.04617	10.4
294.05051	1.0
295.06171	3.3
295.09561	0.1
296.06903	1.9
297.07724	10.3
298.08011	0.5
301.03705	0.1
306.05325	0.2
307.06146	1.6
308.06750	0.3
309.04428	0.1
309.07742	1.7
310.08350	0.1
311.05649	3.5
312.06073	0.2
314.04523	0.3
317.08044	0.1
319.06079	0.2
321.04062	0.2
321.07764	0.3
322.04953	0.3
323.05640	3.0
323.08862	0.1
324.06363	0.6
325.07248	4.2
326.07553	0.3
328.05954	2.3
333.07697	0.1
335.05618	1.1
336.06412	0.2
337.07245	2.3
338.07718	0.1
339.05127	0.1
339.08777	0.2
340.05823	0.1
341.06647	0.8
347.05661	0.2
349.07236	0.3
351.05194	0.5
351.09039	0.2
353.06720	23.6
354.07043	1.9
355.08194	0.8
356.05417	0.6
361.07190	0.3
363.04919	0.1
365.06726	3.8
366.07150	0.3
367.08505	0.3
369.06137	0.1
377.06668	0.3
379.08221	0.7
381.06290	0.3
383.07788	21.1
384.08078	1.6
386.06314	0.1
389.06595	0.5
395.07779	2.3
396.08176	0.2
397.09384	0.5
405.70889	0.1
407.07709	1.1
408.08209	0.1
409.09460	0.2
413.08865	6.5
414.09247	0.6
419.07617	0.1
425.08878	2.9
425.14609	0.1
426.09198	0.2
427.10358	0.2
430.08691	0.1
430.14069	0.1
437.08878	0.6
443.09909	11.0
444.10223	1.1
446.09067	0.1
455.09888	1.5
456.10138	0.2
457.11786	0.1
473.10959	6.7
474.11285	0.5
485.11169	0.4
497.11221	0.4
503.12289	0.3
515.11890	1.3
516.12360	0.1
533.13092	100.0
534.13440	8.9
577.15723	9.1
578.16040	1.0
672.63892	0.1
689.55835	0.1
1118.12207	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	1101.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03349	0.2
83.01276	1.8
83.04907	0.1
84.02052	0.1
85.02843	8.1
85.99992	0.8
86.03162	0.1
87.00769	4.3
87.04414	1.0
89.02341	3.1
93.03348	0.2
95.01283	2.2
96.95905	0.3
97.02841	0.5
99.00778	6.4
99.04424	0.3
100.01074	0.1
101.02347	7.0
103.03915	1.2
108.02041	0.2
109.02857	0.4
111.00812	0.4
112.01583	0.3
113.02358	6.9
115.00277	0.2
115.03920	1.3
119.03416	1.0
119.04951	0.2
121.02856	0.1
122.05928	0.1
123.00780	0.1
125.02347	0.7
127.03947	0.3
129.01862	0.1
131.03430	2.8
135.04449	0.4
137.02397	0.2
139.00302	0.3
143.03435	3.2
144.03697	0.1
145.02866	0.1
145.04973	0.5
149.02393	0.1
149.04462	0.1
150.03194	0.2
151.00291	0.3
152.01056	0.3
153.01759	0.1
157.01361	0.5
159.02963	0.2
161.04501	1.3
163.06070	1.1
165.05504	0.2
166.02747	0.1
167.03503	0.1
179.03491	0.1
179.05507	0.1
181.04999	0.3
190.02721	0.1
195.06589	0.2
205.05322	0.1
205.07155	2.4
223.06113	0.3
231.90343	0.1
233.06787	0.1
235.61479	0.1
247.08250	0.1
250.13252	0.1
263.21542	0.1
269.04831	0.1
271.06134	0.3
307.10135	0.1
314.08002	0.1
315.12485	0.4
343.08295	0.1
417.15686	0.2
433.14542	0.1
435.16516	0.2
447.12344	0.1
453.33850	0.1
519.18866	0.1
577.18011	0.1
615.39093	1.3
616.39758	0.2
685.43396	0.8
686.44946	0.1
704.98865	0.1
713.42542	0.1
729.41998	0.1
775.42981	0.3
776.43524	0.1
795.45905	0.1
937.48352	0.1
955.48352	0.2
1039.55396	0.3
1083.54053	1.6
1084.54724	0.3
1101.55139	100.0
1102.55444	22.1
1103.55725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03348	1.0
83.01279	12.8
85.02851	4.6
87.00771	1.9
89.02332	1.0
95.01286	1.1
96.95919	2.7
97.02856	2.4
99.00793	2.4
99.04430	0.8
101.02353	5.8
108.02084	1.6
109.02853	1.0
113.02379	4.0
117.03422	1.0
119.01277	0.8
119.04948	2.3
121.02851	1.0
123.04419	0.6
125.02364	10.0
133.02899	1.3
135.04459	1.6
137.02390	1.2
137.06000	1.1
145.02853	1.3
148.01582	1.9
149.02417	1.6
149.05992	0.7
150.03186	2.5
151.00343	1.9
151.03941	1.1
152.01099	1.4
161.02361	1.3
161.04485	1.3
163.03992	0.7
165.01909	1.0
165.05515	2.4
167.03453	0.9
175.02435	0.7
177.01852	0.8
179.03474	1.4
181.05042	1.7
181.08659	0.6
189.09300	0.7
191.85786	0.7
193.08705	0.7
195.06552	1.1
209.08092	0.7
211.04131	0.7
213.01961	1.1
221.08289	0.7
231.06561	1.0
239.07251	0.6
242.84702	0.6
245.06674	1.1
256.07507	0.7
265.05121	1.0
267.06729	1.3
269.04684	1.6
271.06259	0.8
281.04605	1.5
287.22296	2.0
293.04599	1.8
295.06104	2.3
297.07632	0.9
307.06174	4.3
309.04272	1.5
311.05725	1.2
319.06238	0.9
321.04007	0.9
323.05609	4.1
323.09406	3.2
335.05673	4.1
335.09366	1.5
336.09955	1.5
337.07272	1.4
337.10873	8.0
338.11465	0.9
340.05994	0.7
347.05865	1.1
349.07031	1.1
349.10904	3.2
350.11707	1.9
351.08905	1.2
351.12534	2.1
352.09521	1.2
353.06506	1.2
353.10498	1.3
356.05429	1.0
363.08640	1.0
363.12473	1.5
364.09604	1.6
365.06412	1.1
365.10406	8.1
366.11035	3.0
367.11792	2.2
377.10339	8.4
378.11111	4.9
379.11960	8.7
380.12451	2.2
382.10489	0.8
385.10526	0.7
388.57651	0.8
390.11026	1.0
391.11987	4.0
393.09851	3.4
394.10526	2.4
395.06693	1.2
395.11475	18.9
396.12311	4.2
405.09888	1.5
406.10867	3.2
407.11572	6.3
408.12274	13.3
409.12997	16.3
419.11423	4.2
420.12164	1.9
421.12909	6.4
422.13464	1.1
423.10864	16.7
424.11642	8.0
435.10818	1.1
437.12546	13.3
438.13345	11.8
439.14063	36.6
440.14301	3.6
450.13580	0.9
451.13992	3.7
475.14145	0.8
541.17657	0.8
571.18353	3.3
583.18378	1.9
601.19299	18.3
602.19836	2.1
603.60590	0.7
613.19464	2.8
625.19476	1.0
643.20349	9.5
644.21069	0.9
657.21204	0.8
685.21313	3.2
697.22650	0.9
889.28278	1.2
939.46161	2.3
941.51556	3.2
942.52496	1.1
985.29950	11.0
986.30078	1.5
1015.31146	100.0
1016.31409	19.7
1027.30493	1.4
1029.32800	1.0
1045.32239	7.0
1046.31885	2.2
1051.31763	1.1
1069.32397	4.6
1087.33081	13.5
1088.33691	2.7
1105.34045	54.5
1106.34363	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	1099.5705
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01276	3.1
85.02845	9.9
85.03368	0.5
85.99994	1.0
86.03197	0.2
87.00775	5.4
87.04395	1.6
89.02341	6.5
95.01281	3.4
96.95927	0.5
97.02861	0.6
99.00780	8.0
99.04488	0.3
101.02345	10.4
103.03913	1.3
111.00786	0.4
112.01594	0.5
113.02357	7.7
115.00269	0.3
115.03918	1.6
119.03426	0.8
123.30180	0.3
125.02367	0.7
127.03831	0.3
131.03413	3.4
139.00327	0.6
143.03429	3.7
145.04994	0.6
157.01338	0.7
161.04517	0.8
163.06113	1.3
194.05495	0.2
205.07143	3.2
209.11847	0.6
229.24176	0.2
247.08289	0.3
248.19000	0.2
292.90283	0.2
309.20856	1.2
310.21011	0.4
386.49387	0.2
412.43835	0.2
491.90698	0.3
523.38098	3.4
524.38123	0.3
587.31982	0.3
593.42230	1.2
637.40814	0.4
683.41968	0.2
719.11499	0.3
773.44836	0.3
947.54218	0.4
991.52228	1.6
992.54425	0.3
1009.54047	42.4
1010.54285	6.5
1081.56018	2.8
1082.57385	0.5
1099.57166	100.0
1100.57507	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03360	0.4
83.01275	2.3
84.02068	0.2
85.02842	10.7
85.99986	1.0
86.03165	0.2
87.00771	4.9
87.04390	1.2
89.02338	3.0
93.03371	0.3
95.01276	2.9
96.95912	0.6
97.02850	0.6
99.00777	7.9
99.04428	0.3
100.01093	0.2
101.02346	8.6
103.03934	1.0
107.01292	0.3
108.02105	0.7
109.02870	0.5
111.00793	0.5
112.01535	0.3
113.02357	8.9
114.02679	0.3
115.00297	0.4
115.03907	1.4
116.92820	0.2
119.03416	1.1
119.04919	0.3
121.02864	0.2
121.09527	0.1
123.00794	0.2
123.04445	0.2
125.02368	3.0
127.03967	0.2
129.01884	0.2
131.03419	3.5
133.02872	0.3
134.03676	0.3
135.04446	0.4
137.02393	0.4
139.00296	0.5
143.03416	3.6
145.02927	0.2
145.04999	0.6
147.04408	0.2
149.02420	0.3
151.00284	0.9
151.03964	0.2
152.01091	0.8
153.01909	0.4
157.01366	0.6
159.02925	0.3
161.02383	0.6
161.04498	1.2
161.05779	0.2
163.03995	0.3
163.06061	0.8
165.01917	0.2
165.05531	0.2
166.02499	0.2
167.03435	0.2
169.01413	0.1
173.66620	0.2
175.02484	0.2
175.03937	0.4
177.01888	0.5
179.03487	0.3
181.05025	0.3
195.06599	0.2
205.07140	1.6
217.05075	0.2
247.08310	0.2
253.05063	0.3
269.04501	0.3
271.06125	0.4
272.06284	0.2
285.04077	1.1
286.04468	0.3
287.05606	0.9
288.05933	0.2
315.07330	0.3
321.87830	0.2
339.07974	0.2
431.42636	0.2
447.11951	0.2
579.17242	0.3
615.39240	2.0
616.38831	0.2
670.26062	0.2
685.43524	0.6
732.23669	0.2
775.42419	0.2
933.42267	0.2
955.49603	0.2
1039.53809	0.2
1083.54297	1.5
1084.54321	0.4
1101.55176	100.0
1102.55396	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03298	0.3
83.01280	2.5
83.01740	0.1
85.02842	10.0
85.03323	0.6
85.99986	1.1
86.03098	0.2
87.00771	5.4
87.01266	0.3
87.04408	1.2
89.02335	3.3
89.02837	0.2
95.01277	2.5
96.95855	0.2
96.99127	0.5
97.02831	0.7
99.00779	7.3
99.01387	0.3
99.04376	0.2
100.01036	0.2
101.02345	6.9
101.02983	0.3
103.03923	1.3
109.02752	0.2
111.00785	0.9
112.01472	0.4
112.98653	0.1
113.02352	6.7
113.03074	0.2
114.02619	0.2
115.00236	0.2
115.03930	1.6
119.03395	1.0
125.02244	0.4
127.03824	0.3
127.04740	0.1
129.01860	4.7
131.03418	3.4
137.02240	0.2
139.00197	0.5
143.03430	3.4
144.03676	0.2
145.04997	0.7
153.01811	0.2
157.01375	0.7
161.04501	0.7
163.06078	1.6
182.90941	0.1
197.11783	0.1
205.07150	2.4
206.07249	0.1
233.06447	0.2
247.08348	0.5
357.13058	0.1
410.24896	0.1
421.34814	0.2
491.38913	0.3
551.37524	2.2
552.37268	0.3
621.41833	1.1
665.40680	0.3
681.43726	0.4
711.41626	0.3
753.42426	0.3
771.43231	0.4
785.39410	0.2
829.46826	0.2
907.50513	0.2
908.51752	0.1
975.53076	0.2
1019.52191	0.8
1037.53479	21.6
1038.53625	4.0
1079.54590	2.4
1080.54626	0.6
1097.55591	100.0
1098.55969	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95782	0.4
79.95625	9.1
83.01274	0.1
85.02840	0.3
87.00761	0.1
94.97959	0.2
95.01265	0.1
95.97502	0.1
96.95913	100.0
97.95856	0.2
98.20504	0.1
99.00808	0.2
101.02346	0.1
110.16451	0.1
113.02343	0.3
131.03410	0.1
148.99953	0.1
149.06003	0.1
260.92352	0.1
310.04980	0.1
313.07309	0.1
381.09879	0.1
436.15411	0.1
519.20569	0.2
627.29657	0.1
681.26270	0.1
997.53986	2.8
998.54120	0.5
1035.47546	0.5
1036.49280	0.1
1061.25732	0.1
1095.48413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95767	0.2
81.03310	0.2
83.01280	1.7
85.02840	6.0
85.99987	0.4
87.00775	2.8
87.04416	0.6
89.02344	2.2
95.01290	1.8
96.95879	0.5
97.02837	0.6
99.00780	5.1
101.02348	4.4
103.03898	0.9
109.02845	0.4
111.00763	0.8
112.01541	0.3
113.02355	6.0
115.00285	0.2
115.03915	0.9
119.03406	0.9
119.04913	0.3
123.23900	0.2
125.02345	0.9
127.75784	0.2
131.03435	2.2
135.04466	0.4
137.02324	0.3
139.00291	0.6
143.03442	2.2
145.04938	0.4
149.02443	0.3
151.00267	0.5
157.01357	0.4
157.02505	0.2
161.02316	0.3
161.04433	0.7
163.06058	0.7
165.05495	0.3
205.07124	2.0
335.09158	0.2
339.12189	0.2
390.64233	0.2
395.11349	0.3
439.35876	0.7
465.37314	0.6
509.40094	0.3
541.38837	0.3
553.39093	0.2
615.87567	0.2
657.44189	0.2
701.42773	0.5
896.50452	0.3
965.55981	0.3
1009.53540	0.8
1027.55066	100.0
1028.55322	17.3
1036.51807	1.2
1054.53821	1.1
1090.52039	0.4
1091.45105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00764	4.4
79.59476	0.1
81.03343	0.2
83.01272	1.4
85.02843	7.5
86.00002	0.5
87.00766	2.8
87.04413	0.7
89.02341	1.2
95.01291	1.3
97.02850	4.2
99.00780	5.5
99.04404	0.1
101.02348	1.6
103.03898	0.7
111.00792	0.2
112.01591	0.1
113.02359	4.7
115.00275	0.3
115.03922	1.1
119.03378	0.3
125.02367	7.6
126.02641	0.1
127.03944	0.1
129.01874	0.2
131.03430	3.1
136.66925	0.1
139.00288	0.2
141.01883	0.1
142.02599	0.1
143.03433	2.8
145.04993	0.3
157.01358	0.6
163.06042	0.6
189.04022	0.1
205.07153	1.6
247.08269	0.1
277.09573	0.1
349.94113	0.1
364.51605	0.1
387.10153	0.1
465.37552	0.3
531.98407	0.1
535.41113	0.2
565.39056	1.1
566.39539	0.1
567.40649	0.4
635.43091	0.3
681.43628	0.5
725.43164	0.2
875.48895	0.1
921.52332	0.2
940.13599	0.1
1003.52472	0.8
1004.51904	0.1
1021.53986	100.0
1022.54224	23.3
1084.55798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00764	6.4
76.78416	0.2
79.01792	0.7
82.02574	0.3
83.01269	1.2
85.02844	10.2
85.99987	0.8
87.00774	4.3
87.04414	1.1
89.02351	1.3
95.01292	4.2
96.95916	0.3
97.02856	0.9
99.00782	7.7
101.02351	2.0
103.03920	0.6
109.87256	0.3
111.00793	1.8
111.04395	0.3
112.01527	0.3
113.02350	6.4
115.00238	0.4
115.03925	1.5
119.03425	0.4
123.00805	4.9
125.02370	2.2
127.03928	0.3
131.03439	4.2
139.00272	0.3
140.01091	2.4
141.01901	1.9
143.03416	2.7
145.05000	0.6
155.03432	2.5
157.01375	0.6
163.06036	1.0
205.07181	1.9
247.08316	0.3
439.35858	0.8
465.37723	0.4
627.42883	0.4
730.59601	0.3
922.53485	0.3
1021.52802	0.6
1051.54944	7.3
1052.54541	1.4
1065.56567	1.4
1068.31030	0.3
1083.57715	100.0
1084.57996	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	1081.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00761	5.7
78.95790	0.4
79.01771	0.1
81.03345	0.3
82.37041	0.1
83.01281	1.7
83.04912	0.2
85.02839	7.5
85.99984	1.1
86.03198	0.1
86.52326	0.1
87.00224	0.2
87.00770	5.4
87.04411	1.3
89.02338	3.3
95.01283	19.1
96.01622	0.2
96.95914	0.2
97.02864	0.8
99.00778	8.1
99.04421	0.4
101.02344	5.9
103.03912	1.1
109.02886	0.2
111.00793	1.1
111.04426	0.2
112.01550	0.6
113.02355	5.7
115.00284	0.3
115.03930	1.5
119.03407	0.9
121.02876	0.1
123.00797	20.6
124.01142	0.3
125.02376	1.3
127.03929	0.4
129.01830	0.2
131.03424	3.0
139.00284	0.3
140.01126	0.4
141.01869	1.3
143.03435	3.2
145.04997	0.5
149.02361	0.1
149.06062	0.1
152.99573	0.2
155.03467	0.3
156.04190	0.1
157.01366	0.6
161.04488	0.7
163.03970	0.1
163.06047	1.5
165.05470	0.1
173.17009	0.1
177.18987	0.1
189.03979	0.1
205.07147	2.8
247.08292	0.3
314.85251	0.1
387.05780	0.1
395.11758	0.1
409.13187	0.1
423.32880	0.2
439.35904	1.5
440.36334	0.2
509.40088	0.4
599.40082	0.1
650.13849	0.1
697.27704	0.1
717.45490	0.2
723.41180	0.2
737.43433	0.3
755.44403	0.4
863.52100	0.6
893.48895	0.2
907.50824	0.2
925.51923	1.9
926.52203	0.3
987.52838	0.2
1031.53333	0.3
1049.53589	7.5
1050.53772	1.3
1063.55225	2.6
1064.55713	0.4
1081.56042	100.0
1082.56421	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	1081.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00762	4.5
79.01794	0.3
81.03343	0.1
83.01277	1.8
84.51480	0.1
85.02843	7.0
85.99997	1.0
87.00770	4.6
87.04402	1.1
89.02338	2.6
93.03314	0.1
95.01284	8.2
96.01597	0.1
96.95916	0.2
97.02849	1.2
99.00780	7.8
99.04413	0.2
101.02348	4.9
103.03919	1.0
109.02849	0.1
111.00790	0.8
111.04429	0.2
112.01589	0.2
113.02357	5.1
115.00275	0.3
115.03931	1.3
116.92761	0.1
119.03399	0.5
119.04918	0.1
119.80527	0.1
123.00800	8.0
125.02377	1.4
127.03924	0.2
129.01830	0.2
131.03429	2.6
133.14212	0.1
135.04375	0.1
139.00290	0.3
140.01051	0.2
141.01880	1.9
143.03436	2.7
145.04964	0.5
157.01346	0.5
161.04507	0.6
163.06061	0.9
165.56793	0.1
205.07161	1.7
247.08380	0.2
309.20694	0.1
393.97397	0.1
421.35385	0.1
430.03009	0.1
439.35944	0.4
440.36667	0.1
509.39520	0.1
595.40594	0.2
705.40375	0.2
715.63043	0.1
723.41510	0.4
768.47351	0.1
978.52222	0.3
987.53656	0.1
1031.52539	1.7
1032.53125	0.4
1049.53491	100.0
1050.53760	16.9
1081.56006	2.5
1082.56189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00764	4.4
79.01777	0.2
81.03348	0.2
83.01272	1.9
85.02841	7.1
85.99995	0.8
86.03199	0.2
87.00770	3.9
87.04412	1.2
89.02337	3.1
95.01286	2.3
95.94913	0.1
96.02065	0.2
96.99190	0.1
97.02862	0.6
97.99996	0.2
99.00779	5.9
99.04441	0.2
101.02347	5.3
101.03014	0.3
103.03923	0.9
111.00776	1.3
111.04446	0.8
111.58858	0.1
112.01546	0.2
112.42573	0.1
113.02357	5.8
115.00256	0.2
115.03916	1.1
119.03408	0.8
123.00785	0.4
125.02362	0.5
127.03991	0.1
128.77396	0.1
131.03416	2.4
139.00287	0.4
140.01112	0.6
141.01906	0.2
143.03439	2.8
145.05005	0.5
155.03464	1.0
157.01344	0.5
161.04475	0.6
163.06070	1.1
189.03922	0.1
194.24434	0.1
196.17865	0.1
205.07150	1.9
219.33453	0.1
239.48586	0.1
245.37746	0.1
247.08313	0.3
271.63809	0.1
336.09735	0.1
405.17200	0.2
415.15009	0.1
439.35947	0.6
465.37427	0.5
509.39877	0.3
535.41833	0.3
595.40515	0.7
665.44543	0.3
709.43207	0.2
711.35425	0.1
737.42389	0.4
755.44287	0.3
863.51703	0.4
925.52527	0.4
935.50012	0.2
951.53790	0.4
1063.55090	2.3
1064.55811	0.4
1081.56104	100.0
1082.56445	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	1081.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00358	0.4
75.00762	4.6
83.01265	1.8
85.02837	7.7
85.99977	0.7
87.00773	4.2
87.04392	0.9
89.02339	3.1
95.01282	2.4
96.95905	0.4
97.02853	0.7
97.99992	0.3
99.00777	6.8
101.02344	5.7
103.03909	0.8
111.00791	1.5
111.04427	0.6
113.02351	5.9
115.03911	1.1
119.03398	1.1
122.19318	0.3
123.00778	0.4
125.02367	0.6
129.01936	0.3
131.03421	2.9
140.01080	1.2
141.01875	0.6
143.03438	3.4
145.04921	0.3
153.55901	0.3
155.03448	1.1
157.01366	0.5
161.04488	0.4
163.06053	1.1
205.07112	1.6
206.70482	0.3
211.09821	0.3
309.20639	0.4
320.78311	0.3
439.36060	0.7
465.37445	0.8
544.27661	0.3
595.40363	0.9
665.43530	0.4
755.44128	0.3
844.62909	0.3
863.51526	0.5
925.52222	0.5
1049.54590	0.7
1063.55139	2.6
1081.56079	100.0
1082.56396	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	1073.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00763	7.0
78.54470	0.3
81.78264	0.3
83.01271	3.7
85.02842	9.7
85.99984	1.0
87.00769	6.1
87.04418	1.8
89.02338	3.5
93.03337	1.2
95.01304	1.9
96.95926	1.6
97.02843	0.7
99.00777	8.2
99.04412	0.7
101.02347	7.6
102.37663	0.3
103.03917	1.2
107.01292	0.5
108.02077	1.1
109.02832	1.7
111.00801	0.4
113.02354	7.6
113.22935	0.3
115.00282	0.6
115.03883	1.5
116.92745	0.4
119.03391	1.3
119.04934	0.9
121.02839	0.7
123.00780	0.6
123.04463	0.5
125.02368	3.9
126.70352	0.3
131.03427	3.6
134.03670	0.6
135.04413	1.2
136.01628	0.4
137.02332	0.9
139.00261	0.5
143.03427	3.9
145.02835	0.6
145.04962	0.5
149.02356	1.2
150.03082	0.4
151.00298	1.3
151.03961	0.8
152.01068	1.3
152.68347	0.3
153.01831	1.1
157.01363	0.7
160.04010	0.4
160.77275	0.3
161.02371	1.0
161.04472	1.1
163.03966	0.6
163.06056	0.5
164.04723	0.5
165.01846	0.5
165.05533	0.9
167.03435	0.9
175.03967	1.0
177.01892	0.4
179.03465	0.4
181.05057	0.4
190.02707	0.6
192.04182	0.4
193.04924	0.5
194.05977	0.3
195.06500	0.5
205.05336	0.5
205.07124	2.1
209.08167	0.9
223.06096	0.8
253.05141	1.0
269.04568	0.6
271.06229	0.8
285.03940	0.5
287.05624	1.2
315.07489	0.8
322.69412	0.3
323.05865	0.4
326.07886	0.3
381.11383	0.4
383.10989	0.3
386.26956	0.4
407.11557	0.5
433.13364	0.4
457.36926	1.2
523.87396	0.4
525.39392	1.1
553.38684	0.4
571.40088	2.3
611.17609	0.4
653.19293	0.4
747.43427	0.4
773.19324	0.3
894.64911	0.3
911.33167	0.4
929.51782	0.4
1055.54175	1.1
1073.55603	100.0
1074.56091	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	1071.5761
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00761	6.7
78.95794	0.3
80.58815	0.2
81.03352	0.3
83.01277	2.6
85.02840	10.3
85.99982	1.2
87.00775	5.1
87.04399	1.4
89.01779	0.1
89.02330	3.2
93.03364	0.4
95.01282	2.4
96.95923	1.1
97.02846	0.8
99.00777	7.4
99.04405	0.4
101.02338	7.8
102.02682	0.2
103.03915	1.6
107.01294	0.2
108.02072	0.5
109.02846	0.7
111.00768	0.5
112.01573	0.2
113.02354	7.2
115.00280	0.4
115.03931	1.4
116.92741	0.3
121.02859	0.3
123.04404	0.3
125.02359	1.6
127.03920	0.3
129.01840	0.2
131.03432	3.0
133.02879	0.3
134.03523	0.1
135.04440	0.4
137.02376	0.5
139.00293	0.4
143.03427	3.8
145.02975	0.2
145.04994	0.8
149.02423	0.4
150.03148	0.3
151.00293	0.4
151.03946	0.3
152.01091	0.5
153.01854	0.3
157.01378	0.6
161.02353	0.5
161.04478	0.8
162.61064	0.2
163.03896	0.2
163.06079	1.2
165.05496	0.5
177.01863	0.4
179.03381	0.2
179.05612	0.2
179.07076	0.2
181.05020	0.2
189.03976	0.2
195.06633	0.3
205.05183	0.3
205.07109	2.0
223.06064	0.2
225.07849	0.2
247.08128	0.2
253.05052	0.3
269.04691	1.2
270.04916	0.2
271.06186	0.3
284.03467	0.2
285.03943	0.4
335.05624	0.2
353.10480	0.2
425.09128	0.2
439.35742	0.3
545.12909	0.5
576.82416	0.2
579.17621	0.2
585.41577	1.3
586.42169	0.2
745.45416	0.4
750.59894	0.2
863.50952	0.2
911.50110	0.3
1009.56354	0.2
1053.56982	1.5
1069.56409	0.2
1071.57617	100.0
1072.58032	16.5
1073.56274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00764	5.3
81.03342	0.2
83.01270	2.3
84.02039	0.1
85.02842	10.2
85.99985	1.2
86.03178	0.1
86.72710	0.1
87.00771	5.2
87.04412	1.3
89.02337	4.3
93.03365	0.3
95.01285	2.3
96.95904	0.4
97.02840	0.6
99.00781	7.1
99.04416	0.3
100.01103	0.1
101.02344	6.7
103.03916	1.4
104.72771	0.1
106.06659	0.1
107.04891	0.1
108.02065	0.2
109.02855	0.3
109.69447	0.1
111.00792	0.5
112.01573	0.4
113.02357	7.2
115.00288	0.4
115.03918	1.7
121.02832	0.1
125.02357	0.7
127.03938	0.2
129.01874	0.3
131.03424	3.0
131.04918	0.1
135.04459	0.2
137.02353	0.3
139.00298	0.3
143.03438	3.9
145.02919	0.2
145.04996	0.5
149.02342	0.1
149.04422	0.1
150.03178	0.1
151.00317	0.2
151.03975	0.1
152.01071	0.2
157.01372	0.5
161.04495	0.9
163.03969	0.1
163.06070	1.3
164.04724	0.1
165.01935	0.1
181.05037	0.1
189.04001	0.2
195.06398	0.1
205.05246	0.1
205.07138	2.3
223.06029	0.1
233.06775	0.2
247.08292	0.3
307.05838	0.1
311.08099	0.1
334.37637	0.1
353.28027	0.1
453.33994	0.2
571.82330	0.1
585.29364	0.1
585.38177	2.0
586.38275	0.4
631.38422	0.1
649.18610	0.1
655.42328	1.1
656.42261	0.2
657.40552	0.1
699.42004	0.2
727.40753	0.2
745.42371	0.3
925.49976	0.1
1009.54614	0.3
1053.53369	1.6
1054.52991	0.3
1071.54041	100.0
1072.54419	17.1
1073.54846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00766	7.2
76.48759	0.1
78.76593	0.1
81.03377	0.2
83.01276	2.1
84.02088	0.2
85.02847	12.6
85.99988	0.9
86.03201	0.2
87.00775	4.6
87.04423	1.4
88.98703	0.2
89.02344	2.8
89.02891	0.2
93.03379	0.2
95.01288	2.1
96.95903	0.6
97.02858	0.5
99.00784	8.7
99.04371	0.2
99.57488	0.1
100.01100	0.2
101.02351	5.8
101.10359	0.1
103.03919	0.9
108.02068	0.3
109.02860	0.2
111.00774	0.4
112.01573	0.3
113.02360	8.3
114.02729	0.1
115.00272	0.3
115.03921	1.5
116.92785	0.1
118.75890	0.1
121.02878	0.2
123.04400	0.2
125.02396	0.8
127.03935	0.2
129.01840	0.3
131.03433	3.9
133.02728	0.1
134.03676	0.2
135.04489	0.3
137.02359	0.3
137.06042	0.1
139.00313	0.4
139.04013	0.1
143.03441	3.8
145.02905	0.2
145.04979	0.6
149.02364	0.4
150.03185	0.3
151.00293	0.3
151.03967	0.3
152.01088	0.2
157.01421	0.6
159.02966	0.5
161.02420	0.2
161.04515	1.2
162.03094	0.2
163.04018	0.1
163.06056	0.9
165.05531	0.3
166.02751	0.1
167.03436	0.1
175.02425	0.1
176.04688	0.1
177.01859	0.2
177.05519	0.2
179.03464	0.3
179.07031	0.1
181.05011	0.1
193.05011	0.1
194.05742	0.1
195.06566	0.3
205.05254	0.2
205.07156	2.2
209.08214	0.3
217.03084	0.1
225.07578	0.1
247.08202	0.2
252.04333	0.2
253.04796	0.1
267.06708	0.4
271.06265	0.1
284.03467	0.1
285.04041	0.1
287.22440	0.3
314.12308	0.1
315.07983	0.1
318.08072	0.1
357.12842	0.2
431.26611	0.5
449.27759	0.7
453.33649	0.1
516.62189	0.1
545.13525	0.1
585.38196	0.8
586.37689	0.1
615.39319	0.8
655.42609	0.5
685.43433	0.3
727.40869	0.2
775.42554	0.1
827.56421	0.1
930.39880	0.1
935.07690	0.1
1053.53345	1.2
1054.53992	0.2
1071.54089	100.0
1072.54456	21.2
1073.55420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00764	5.5
81.03307	0.3
83.01283	2.3
85.02843	9.3
85.99993	0.8
87.00774	5.4
87.04415	1.2
88.04638	0.2
89.02338	4.0
89.87814	0.2
95.01263	2.0
96.95910	1.2
96.99216	0.5
97.02854	0.6
99.00780	7.1
99.04440	0.3
101.02349	6.6
101.30917	0.3
103.03931	1.3
103.32912	0.2
111.00803	2.0
112.01551	0.3
113.02357	5.8
115.00266	0.3
115.03931	1.3
119.03404	0.9
123.00803	0.4
125.02366	0.8
127.03918	0.4
129.01837	1.7
131.03439	2.9
139.00299	0.4
143.03450	4.5
145.04939	0.5
157.01349	0.7
161.04500	0.4
163.06096	1.4
205.07126	1.8
247.08212	0.3
283.00311	0.3
288.35986	0.3
439.35837	0.3
583.40381	1.8
653.45129	0.5
725.42932	0.5
743.43805	0.4
1051.54907	3.8
1052.55420	0.6
1069.56104	100.0
1070.56433	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	1069.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
74.10506	0.3
75.00650	7.5
75.01121	0.9
83.01155	2.9
83.04789	0.3
85.02719	15.2
85.03284	1.8
85.99865	1.1
86.55157	0.2
87.00647	6.1
87.01220	0.6
87.04282	1.8
89.02208	5.7
95.01152	2.4
96.95810	0.5
97.02756	0.5
99.00639	10.4
99.01340	1.0
99.04330	0.4
101.02203	6.9
101.02914	0.7
103.03783	0.9
111.00668	0.6
112.01457	0.6
113.02202	7.9
113.03059	0.6
115.03763	1.2
119.03313	0.7
125.02180	0.5
131.03253	6.0
131.04298	0.3
131.96127	0.2
134.10136	0.2
139.00182	0.7
143.03441	4.6
143.04449	0.3
145.04898	0.5
157.01208	0.6
163.05856	1.1
163.07106	0.4
205.07123	2.0
247.08168	0.4
277.08807	0.3
316.36887	0.3
384.10498	0.3
391.46954	0.3
421.25470	0.3
523.37988	3.5
524.38171	0.7
593.42218	0.9
821.36548	0.3
952.46924	0.4
961.51874	1.1
979.52917	42.4
980.53455	7.2
1051.54602	1.8
1058.15161	0.3
1069.56104	100.0
1070.56445	19.9
1083.93213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00761	6.9
76.01111	0.3
83.01279	1.6
83.04918	0.3
85.02837	10.1
85.49067	0.1
85.99979	1.1
86.03191	0.2
87.00769	4.2
87.04412	1.2
89.02332	1.5
91.09113	0.2
95.01285	14.6
96.01627	0.3
96.95887	0.2
97.02856	2.1
98.19803	0.3
99.00779	8.8
99.04411	0.5
100.01102	0.2
101.02343	1.9
103.03905	0.6
111.00780	1.3
112.01560	0.5
113.02352	5.5
115.00271	0.3
115.03913	1.2
119.03433	0.3
123.00798	18.8
124.01109	0.4
125.02381	0.8
127.03929	0.3
129.01807	0.2
131.03419	3.6
131.12854	0.2
136.23274	0.2
139.00288	0.4
140.01071	0.5
141.01872	1.0
143.03432	2.8
145.04964	0.5
155.03482	0.3
157.01329	0.6
163.06059	0.5
177.93491	0.1
205.07150	1.8
247.08144	0.2
439.35919	1.2
509.40399	0.2
667.25751	0.2
787.64801	0.2
877.51245	0.3
895.51257	0.9
954.50751	0.2
955.52087	0.4
1019.52496	2.7
1020.53149	0.4
1025.57288	1.6
1026.56189	0.3
1033.53955	1.2
1037.52563	0.3
1051.55017	100.0
1052.55334	23.5
1069.55933	2.0
1070.56165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00761	5.9
79.45724	0.2
81.03345	0.4
83.01263	1.9
85.02843	9.8
85.99988	4.9
87.00769	5.1
87.04403	2.6
89.02334	3.1
93.03340	0.2
95.01284	2.0
96.95913	1.4
97.02853	1.0
99.00778	7.0
99.03814	0.3
99.04422	3.8
101.02345	5.4
101.03008	0.3
102.02686	0.1
103.03918	1.1
108.02061	0.2
108.19879	0.1
109.02912	0.2
111.00797	0.4
112.01579	0.4
113.02357	5.9
114.02742	0.1
115.00256	0.3
115.03922	2.0
116.92776	0.5
119.03448	1.0
119.04923	0.2
125.02358	2.4
127.03905	0.2
129.01860	0.1
131.03435	2.9
135.04472	0.3
137.02414	0.1
137.05997	0.4
139.00325	0.3
143.03442	4.4
145.05009	0.6
151.00288	0.3
151.03973	0.2
152.01068	0.2
157.01352	0.4
161.04480	0.9
163.03906	0.2
163.06049	1.4
165.05484	0.5
169.61751	0.1
178.06369	0.1
181.05043	0.1
193.08670	0.1
195.06677	0.2
200.62634	0.1
205.07141	2.3
206.07367	0.2
215.03621	0.1
247.08260	0.3
269.04666	0.3
271.05881	0.2
312.06747	0.2
327.22128	0.2
351.08813	0.2
395.11545	0.3
395.23285	0.1
425.08603	0.4
435.30292	0.2
439.35910	0.9
507.38800	0.2
509.40359	0.3
523.28857	0.2
527.12390	0.2
583.40454	0.8
633.62769	0.2
681.84711	0.1
743.43445	0.4
745.82031	0.2
863.51740	0.3
907.49707	0.2
925.51935	6.4
926.52258	1.7
1028.56860	0.2
1051.55200	2.4
1052.55359	0.4
1069.56104	100.0
1070.56531	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00764	5.8
75.01158	0.3
81.03287	0.6
83.01278	1.9
83.04871	0.2
85.02840	10.1
85.99986	4.2
87.00771	5.7
87.04409	2.7
89.02334	3.1
93.03297	0.4
95.01285	2.5
96.95914	1.4
97.02841	1.0
99.00781	7.3
99.04418	10.5
101.02348	6.2
103.03901	1.4
109.02785	0.3
111.00700	0.5
112.01573	0.2
113.02352	7.4
115.00240	0.3
115.03924	2.1
116.92720	0.2
119.03401	0.9
119.04835	0.3
121.02789	0.3
125.02364	3.1
127.03897	0.2
131.03418	3.2
133.02803	0.2
135.04366	0.5
137.02304	0.4
139.00208	0.3
143.03433	4.5
145.04884	0.6
147.04462	0.2
149.02313	0.3
151.00262	0.3
153.01749	0.2
157.01260	0.6
161.02267	0.6
161.04501	1.0
161.75868	0.2
163.03900	0.2
163.06068	1.3
164.04582	0.2
165.01729	0.2
165.05339	0.2
193.04803	0.2
205.05135	0.2
205.07123	2.3
247.08165	0.2
269.04492	0.4
271.06079	0.3
283.47269	0.2
311.05554	0.2
395.11615	0.3
404.73990	0.2
425.08759	0.2
439.35977	1.2
509.40256	0.3
553.39258	0.2
583.40210	1.0
635.36511	0.2
675.32697	0.2
743.43640	0.4
863.51373	0.5
907.51587	0.4
925.51886	20.7
926.52155	3.4
1001.21722	0.2
1051.54651	1.9
1052.55054	0.4
1069.56116	100.0
1070.56555	18.9
1099.05798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00764	6.8
81.03365	0.3
82.40760	0.2
83.01270	1.8
85.02842	10.2
85.99989	0.7
87.00775	4.8
87.04413	1.4
89.02348	1.4
95.01283	13.1
96.01619	0.3
96.95909	0.7
97.02861	2.0
99.00781	8.4
99.04385	0.4
101.02370	2.0
103.03906	0.6
103.65388	0.2
108.02105	0.5
111.00773	0.7
112.01566	0.4
113.01544	0.3
113.02352	5.8
115.00309	0.3
115.03896	1.2
119.03421	0.4
123.00803	15.0
124.01147	0.3
125.02368	0.8
127.03866	0.3
131.03442	3.6
135.04570	0.2
140.01093	0.3
141.01881	0.9
143.03436	2.9
145.04980	0.5
147.44089	0.2
155.03479	0.3
155.16454	0.2
157.01363	0.5
163.06102	0.4
165.05554	0.3
205.07150	1.5
276.12833	0.2
439.35904	0.5
527.06439	0.3
895.50848	0.7
897.00952	0.3
925.50732	0.3
927.52301	0.4
954.51367	0.4
955.52405	0.9
1019.52753	2.4
1020.52380	1.0
1025.58325	1.7
1026.58484	0.4
1033.54602	1.3
1051.55029	100.0
1052.55334	19.8
1069.56580	3.9
1070.55249	0.7
1081.56763	0.6
1082.54932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
75.41983	0.1
81.03381	0.1
83.01273	2.7
85.02837	0.4
87.00783	0.1
89.02341	0.2
93.03334	0.2
95.01324	0.2
97.02865	0.2
101.02349	0.5
107.01294	11.2
107.04925	0.3
108.01511	0.2
108.02090	0.4
108.99227	0.1
109.02862	1.8
113.02335	0.3
117.03396	0.2
119.04921	0.4
121.02861	0.2
123.08059	0.3
125.02361	2.2
131.01276	0.2
133.02910	0.6
134.03696	1.2
135.04445	37.0
136.01558	0.3
136.04764	1.0
137.02370	0.3
137.09752	0.1
141.67233	0.1
145.02885	0.1
149.02383	0.6
151.00305	59.4
152.00633	1.6
153.01822	0.2
161.02377	1.8
161.04469	0.2
163.04004	0.1
163.11235	0.3
164.01048	0.5
165.01898	0.8
167.03537	0.1
169.01378	1.3
172.84526	0.1
174.03195	0.3
175.00302	2.0
175.03891	0.2
177.01903	1.4
189.01872	0.2
189.12839	0.7
189.99075	0.1
192.10252	0.1
193.01398	2.5
194.01790	0.1
196.00116	0.3
199.03955	0.2
201.01915	0.3
201.05559	0.1
205.01396	1.2
207.13918	0.7
211.02414	0.1
215.03465	0.1
217.01393	0.5
223.02359	0.1
225.05524	0.2
225.14999	0.2
235.02483	4.2
240.15431	0.1
241.05119	0.1
253.03667	0.3
256.03714	0.1
268.03845	0.2
269.04648	0.7
270.04941	0.1
271.06158	0.9
277.03525	0.2
279.05130	0.1
284.03329	3.3
285.03998	6.5
286.04443	3.0
287.05637	3.4
288.05884	0.2
295.04541	0.4
297.06210	0.2
311.05536	0.2
329.06543	0.2
339.07266	2.6
340.07550	0.1
357.08511	0.5
387.20358	0.2
429.21356	1.5
441.10550	0.3
447.09454	0.2
448.09787	0.2
449.10468	0.2
457.26193	0.1
459.11533	11.0
460.11740	0.8
467.29675	0.1
475.12866	0.1
477.13202	0.1
593.15167	4.7
594.15552	5.6
595.16730	100.0
596.17090	9.5
596.24365	0.2
596.27191	0.1
597.17133	0.2
846.13605	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	1067.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00764	5.7
76.19690	0.1
79.01774	0.2
80.99682	0.1
81.03346	0.3
83.01276	2.2
83.77868	0.1
84.02059	0.1
85.02844	8.5
85.56346	0.1
85.99986	0.9
86.03152	0.2
87.00774	5.0
87.04411	1.1
89.02340	3.6
89.02900	0.1
93.03351	0.3
95.01286	8.5
96.01640	0.1
96.95903	0.3
97.02858	2.3
99.00780	9.7
99.04403	0.2
100.01118	0.2
101.02348	6.8
102.02685	0.2
103.03917	1.4
108.02046	0.2
109.02858	0.2
111.00784	0.6
112.01584	0.2
113.02357	8.0
114.02681	0.1
115.00282	0.3
115.03916	1.7
116.92757	0.1
119.03429	0.9
119.04937	0.4
121.02917	0.2
123.00804	8.5
123.04414	0.1
124.01104	0.3
125.02361	1.8
127.03918	0.2
131.03424	3.4
133.02864	0.1
134.03772	0.1
135.04456	0.2
137.02339	0.3
139.00296	0.4
141.01871	2.4
143.03435	4.1
143.04555	0.2
144.03804	0.2
145.05023	0.6
147.04385	0.1
148.01624	0.1
149.02390	0.1
151.00304	0.1
151.03925	0.1
152.01048	0.1
157.01421	0.5
161.04501	1.0
163.03900	0.3
163.06061	1.3
165.23927	0.1
167.03468	0.1
177.01912	0.2
191.03510	0.2
193.08693	0.1
205.07144	2.4
247.08116	0.2
269.04852	0.1
271.06363	0.2
365.10504	0.1
387.07834	0.1
394.10416	0.1
395.11285	0.1
409.12848	0.2
423.33020	0.2
437.34326	0.1
439.35797	0.6
465.15793	0.4
479.62527	0.1
509.40002	0.2
563.37311	0.1
705.40729	0.1
723.40686	0.5
907.50055	0.2
908.52307	0.2
925.52576	0.3
978.51733	0.2
1022.57440	0.1
1023.55682	0.9
1024.56531	0.2
1029.55688	0.6
1030.57263	0.2
1031.52478	1.5
1032.52161	0.2
1049.53491	100.0
1050.53784	22.4
1067.55969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00763	6.8
81.03355	0.3
82.46701	0.1
83.01278	2.0
84.02064	0.2
85.02841	13.6
85.99992	1.3
86.03166	0.3
87.00771	5.8
87.04393	1.4
89.02339	3.6
89.02831	0.1
95.01276	3.6
95.01839	0.3
96.95929	0.4
97.02850	2.4
98.30266	0.2
98.49720	0.2
99.00777	8.4
99.04438	0.2
101.02347	6.0
101.03014	0.3
103.03893	1.0
111.00809	0.4
112.01571	0.7
113.02359	8.8
115.00251	0.2
115.03920	1.3
119.03413	1.1
123.00811	0.9
125.02365	4.0
127.03988	0.3
131.03415	3.5
139.00299	0.8
141.01831	0.5
143.03427	3.5
145.04993	0.6
151.03879	0.2
157.01378	0.8
159.02939	0.2
161.04529	0.8
163.06081	1.1
165.05431	0.2
183.17323	0.2
205.07117	1.8
221.15436	0.6
233.90508	0.2
236.10626	0.4
247.08417	0.2
293.17731	0.4
380.91928	0.2
409.13412	0.2
583.40387	0.3
741.41302	0.2
787.06219	0.2
953.52118	0.4
1049.53455	10.1
1050.53455	2.1
1067.54504	100.0
1068.54871	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00762	6.2
81.03360	0.4
83.01276	2.2
85.02843	10.5
85.99989	1.3
87.00770	6.1
87.04395	1.5
89.02336	3.9
93.03373	0.3
95.01289	3.0
96.95901	1.0
97.02853	4.3
99.00784	7.8
99.04413	0.4
101.02348	7.7
103.03922	1.4
107.25089	0.2
108.02062	0.3
109.02886	0.5
111.00786	0.7
113.02360	6.7
115.03932	1.5
116.92774	0.3
119.03425	1.0
125.01442	0.4
125.02369	9.1
126.02670	0.4
127.03931	0.3
131.03426	3.0
134.37584	0.2
135.04442	0.5
137.02374	0.4
139.00284	0.5
143.03439	4.1
145.05002	0.5
149.02383	0.2
151.00302	0.3
151.88095	0.3
157.01323	0.5
161.02444	0.4
161.04483	0.9
163.03993	1.0
163.06061	1.4
165.05505	0.2
178.06352	0.6
193.08690	0.9
205.07178	2.1
223.06165	0.3
247.08139	0.4
269.04684	0.5
323.12845	0.3
348.50974	0.2
403.17514	0.3
409.13147	0.4
439.19876	0.6
453.33893	0.6
487.12302	0.3
579.36798	0.3
649.41302	0.3
739.40869	0.5
925.52606	0.4
939.49133	0.4
1047.52234	2.2
1048.52441	0.3
1065.53027	100.0
1066.53418	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	1067.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00371	0.4
75.00761	7.4
81.03424	0.2
83.01273	2.5
84.02107	0.2
85.02116	0.4
85.02841	13.8
85.99988	1.3
86.03235	0.2
87.00278	0.2
87.00771	5.5
87.04404	1.5
89.02339	1.8
95.01288	2.2
95.04409	0.1
96.95983	0.1
96.99207	0.6
97.02406	0.1
97.02947	0.4
99.00187	0.4
99.00782	9.7
99.04504	0.3
101.02345	2.9
103.03920	0.6
111.00777	1.1
112.01634	0.3
113.02356	6.9
114.02791	0.1
115.00386	0.4
115.03935	1.7
116.98974	0.1
117.97604	0.1
119.03524	0.3
125.02421	0.3
127.03996	0.1
129.01859	6.0
130.02339	0.1
131.03424	5.0
139.00432	0.4
143.03430	3.3
144.03835	0.2
145.04976	0.7
157.01392	0.6
163.06085	1.0
187.85948	0.1
205.07137	2.1
247.08414	0.3
309.20813	0.7
421.35028	0.2
484.11938	0.1
491.39481	0.2
539.38074	0.1
551.37592	2.1
552.37988	0.3
589.02228	0.1
596.05640	0.1
621.41992	0.6
665.40869	0.2
681.43555	0.2
711.41699	0.2
771.43707	0.4
877.50488	0.2
989.52209	0.7
1007.52466	23.4
1008.52631	3.6
1049.53320	1.9
1050.53992	0.2
1067.54504	100.0
1068.54871	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	1060.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00761	4.2
75.74878	0.1
76.00522	0.1
81.03342	0.2
83.01276	1.5
85.02841	8.2
85.99985	0.7
86.03185	0.2
87.00772	2.7
87.04415	0.6
89.02335	1.4
95.01282	1.5
96.95900	0.3
97.02851	0.2
99.00780	6.6
99.04401	0.2
101.02354	1.9
103.03909	0.5
111.00771	0.2
112.01529	0.2
113.02354	5.2
114.02697	0.1
115.00301	0.3
115.03928	0.9
119.03384	0.2
121.02903	0.1
122.38230	0.1
129.01883	0.3
131.03419	2.7
137.02400	0.1
143.03430	2.0
145.04959	0.3
157.01337	0.5
160.65259	0.1
163.06033	0.4
173.09660	0.2
177.93484	0.1
189.04019	0.1
205.07135	1.1
247.08403	0.1
306.07486	0.1
327.37967	0.1
395.11685	0.2
405.32004	0.2
423.32770	0.2
437.34402	0.3
439.36133	0.9
459.38388	0.1
465.37640	0.6
509.40656	0.2
511.38312	0.1
535.42035	0.2
541.39185	0.3
543.40802	0.3
553.39191	0.3
599.40112	0.2
611.43201	0.2
657.44250	0.2
665.95233	0.1
701.42999	0.4
789.21545	0.1
789.47821	0.2
921.52106	0.4
950.69690	0.1
979.52338	0.8
997.53979	100.0
998.54309	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	1063.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00760	4.3
79.40903	0.1
81.03321	0.3
83.01277	2.2
85.02842	7.8
85.99998	0.6
87.00768	3.5
87.04418	1.0
89.02336	2.8
90.59666	0.1
93.03349	0.1
95.01289	2.2
96.95914	0.3
97.02853	0.6
98.20546	0.2
99.00780	6.4
99.04396	0.3
101.02344	6.5
102.02697	0.2
103.03906	1.5
108.02036	0.1
109.02857	0.2
111.00764	0.5
112.01572	0.4
113.02358	6.3
115.00290	0.2
115.03915	1.1
119.03426	1.0
125.02374	0.8
127.03915	0.2
129.01831	0.2
131.02469	0.2
131.03427	2.6
135.04407	0.3
139.00273	0.3
140.54529	0.1
143.02371	0.2
143.03442	3.5
145.05008	0.6
145.07584	0.3
157.01410	0.6
157.02586	0.1
161.04526	0.9
163.06068	1.2
165.05516	0.1
177.01956	0.1
205.07138	2.0
214.09799	0.2
245.06718	0.1
247.08145	0.1
289.94513	0.1
304.13205	0.2
322.14032	0.1
339.27014	0.1
364.62061	0.1
395.11301	0.3
396.11801	0.2
397.12195	0.1
405.31866	0.2
409.13037	0.5
421.30981	0.2
422.21805	0.1
423.32840	0.2
437.34192	0.2
439.36130	0.8
440.36490	0.2
441.37289	0.1
459.32751	0.1
465.37506	0.7
475.36243	0.3
491.35309	0.1
493.36969	0.4
507.38605	0.2
509.40140	0.2
535.41809	0.3
541.39056	0.4
543.40564	0.3
599.39294	0.3
611.43378	0.4
625.39716	0.1
657.43115	0.2
701.42926	0.5
819.49243	0.3
820.49756	0.1
951.52643	0.3
965.54321	0.2
1009.54059	1.2
1027.55029	100.0
1028.55298	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02839	5.5
73.26170	0.4
81.03374	0.4
83.01273	5.8
85.02840	6.0
87.00772	1.7
89.02337	6.9
93.03351	2.9
95.01292	1.3
97.02839	0.5
99.00776	1.6
101.01700	0.8
101.02348	13.5
107.00553	0.5
107.01296	9.4
108.02113	1.0
108.99332	0.4
109.02859	0.8
111.00771	0.5
113.02364	7.4
115.03924	0.4
119.03527	2.5
119.04942	16.3
120.05234	0.6
121.24061	0.3
123.04435	0.5
125.02357	3.6
131.03436	0.7
135.04411	0.7
137.02385	0.7
139.00282	0.4
143.03441	1.4
145.02881	2.3
149.04520	0.8
151.00311	44.2
152.00653	1.9
153.01855	0.7
161.04510	6.9
163.03734	0.5
163.11243	0.5
164.01093	0.9
165.01904	2.0
167.03407	0.9
169.01370	1.5
175.00406	0.6
177.01894	4.0
179.05469	0.4
180.10924	0.4
185.06056	0.6
187.03966	1.0
187.11212	0.7
193.01372	1.7
203.05548	0.4
205.01474	0.9
205.12312	3.1
206.12598	1.1
221.06622	0.7
225.14909	1.1
227.07144	1.6
229.04977	0.5
233.11877	0.7
235.02533	1.2
269.04532	0.4
270.05344	0.7
271.06180	33.8
272.06552	1.6
313.07303	1.5
339.07196	1.3
369.09747	0.6
369.19250	3.1
387.15262	0.7
387.20340	13.1
388.20901	0.8
429.21368	47.2
430.21704	3.4
459.11581	5.3
460.99030	0.4
473.20413	1.3
473.26898	0.7
579.17316	100.0
580.17596	12.6
581.17853	1.9
595.16870	0.6
985.34003	0.5
1053.33875	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	1057.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
73.12038	0.1
75.17868	0.1
81.03349	2.2
83.01276	7.7
84.01593	0.1
93.03362	0.1
95.01278	0.2
98.19769	0.1
107.01295	0.3
109.02888	0.1
117.03333	0.2
121.02848	0.2
123.00794	0.1
124.01603	0.9
125.02367	100.0
126.02699	1.8
133.02898	0.1
137.02361	0.4
148.01624	0.4
149.02380	0.4
151.00302	0.4
151.03909	0.2
152.01114	0.1
153.01978	0.1
159.04425	0.2
161.02432	0.1
163.00319	1.1
163.03970	0.1
164.04703	0.1
165.01921	0.2
173.02351	0.1
174.03218	0.2
175.04030	0.1
176.01111	4.9
177.01891	2.2
178.02567	0.2
187.04100	0.1
191.03464	7.1
192.04172	0.7
201.01849	0.1
201.05516	0.1
207.06693	0.1
215.03499	0.3
216.04248	0.2
225.05566	0.1
229.05138	0.2
231.02983	0.1
231.06645	0.2
233.04666	0.1
240.04210	0.2
243.03188	0.1
257.04587	0.2
258.05447	0.1
268.03821	1.0
269.04602	5.2
270.04950	0.3
273.04224	0.1
301.03580	1.1
302.04056	0.1
316.05963	0.3
317.06738	1.2
343.72290	0.1
464.09842	0.2
478.11221	0.1
479.12042	86.6
480.12350	4.9
577.15723	3.1
578.16113	0.5
616.82764	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	1051.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99196	1.7
73.02837	3.9
75.00762	8.2
76.39731	0.1
77.83884	0.1
79.01781	0.6
81.03349	0.2
83.01273	1.9
83.04938	0.1
84.02048	0.2
85.02843	12.7
85.99997	1.1
86.03194	0.1
87.00770	5.3
87.04410	1.5
89.02338	1.6
93.03372	0.2
95.01285	13.0
96.01598	0.3
96.95929	0.2
97.02855	1.3
99.00779	12.7
99.04415	0.2
100.01120	0.2
101.02346	2.7
103.03928	0.8
109.02885	0.2
111.00790	0.8
111.04446	0.3
112.01576	0.3
113.02357	7.7
114.02710	0.2
115.00294	0.4
115.03915	1.4
119.03423	0.3
121.02894	0.1
123.00800	13.9
124.01159	0.3
125.02361	1.9
127.03923	0.2
129.01881	0.6
131.03424	4.6
133.02840	0.1
139.00302	0.4
140.01102	0.3
141.01872	3.6
141.02953	0.2
143.03430	3.5
143.04559	0.2
144.03737	0.1
145.04971	0.6
157.01370	0.7
161.04498	0.1
163.03903	0.1
163.06078	0.8
177.01895	0.1
191.03351	0.1
200.74939	0.1
205.07164	1.6
206.07423	0.1
207.47174	0.1
247.08340	0.2
326.58865	0.1
365.10760	0.1
423.32791	0.1
439.36081	0.7
536.14594	0.1
563.37659	0.1
595.39825	0.1
723.41583	0.3
776.42816	0.1
885.55981	0.1
948.51288	0.3
949.50165	0.1
957.51563	0.1
1001.51105	1.3
1002.52112	0.2
1019.52417	100.0
1020.52692	18.6
1051.55029	17.8
1052.55359	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	1051.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99193	1.5
73.02837	3.8
75.00762	7.1
76.01093	0.1
77.28920	0.1
79.01773	0.5
81.03341	0.2
83.01277	1.7
83.89286	0.1
84.02045	0.3
85.02844	11.7
85.99995	1.2
86.03169	0.2
87.00775	4.5
87.04414	1.5
89.02338	1.6
95.01288	2.7
96.95895	0.2
97.02827	0.4
98.00005	0.3
99.00780	9.2
99.04426	0.2
101.02347	2.2
103.03928	0.7
111.00797	2.6
111.04433	1.2
112.01608	0.4
113.02357	7.6
114.02674	0.2
115.00263	0.3
115.03934	1.3
119.03445	0.3
123.00792	0.9
125.02395	0.8
126.56257	0.2
127.03930	0.3
129.01859	0.2
131.03427	4.1
137.09653	0.1
139.00299	0.3
140.01067	1.0
141.01872	0.3
143.03433	2.8
144.00636	0.1
145.04985	0.5
155.03416	1.6
157.01402	0.5
163.06061	0.6
167.98953	0.1
170.02805	0.2
179.01399	0.1
205.07185	1.7
249.84193	0.1
365.37793	0.2
439.35770	0.7
465.37567	0.8
507.15213	0.1
509.40128	0.2
535.41919	0.3
595.40485	1.1
596.40930	0.2
665.44672	0.3
687.44397	0.2
755.44293	0.3
833.50995	0.3
895.51996	0.2
921.52124	0.3
1033.53967	2.0
1034.54785	0.3
1051.55054	100.0
1052.55371	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99200	1.4
73.02834	3.5
74.32256	0.1
75.00760	6.9
78.95811	0.2
81.03358	0.8
83.00811	0.2
83.01278	4.4
83.01777	0.2
85.02841	10.4
85.99967	1.0
87.00236	0.3
87.00769	4.7
87.04401	1.2
89.02332	2.2
89.97427	0.1
95.01284	14.0
96.01620	0.3
96.95900	0.4
97.02840	1.1
99.00777	9.2
99.04416	0.4
100.01098	0.2
101.02344	3.4
103.03900	0.7
103.18075	0.1
107.04959	0.2
109.02851	0.2
109.06480	0.2
111.00770	0.7
112.01567	0.4
113.02348	5.4
115.00302	0.2
115.03930	1.3
119.03413	0.5
123.00796	15.5
124.01124	0.3
125.02364	11.9
126.02643	0.2
127.03864	0.2
128.87103	0.2
131.03418	3.8
131.54198	0.1
135.04430	0.2
137.06024	0.2
139.00279	0.3
140.01118	0.1
141.01878	1.2
143.03439	3.0
145.04982	0.6
155.03494	0.3
157.01399	0.5
159.02895	0.1
161.04437	0.3
163.03976	0.2
163.06065	1.1
165.01813	0.2
165.05519	0.3
173.27179	0.2
205.07138	1.7
247.08279	0.2
351.08881	0.4
439.35718	0.7
565.38666	0.4
635.43506	0.3
725.43542	0.2
755.44257	0.2
765.03961	0.2
835.53021	0.2
845.45441	0.6
895.51471	1.1
925.52490	0.2
1007.51459	0.3
1019.52496	5.4
1020.53015	1.3
1033.54028	2.1
1034.54541	0.4
1051.55005	100.0
1052.55359	22.0
1082.56726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99200	1.5
73.02840	3.8
74.81351	0.3
75.00763	8.6
83.01278	2.6
84.02056	0.3
84.74668	0.3
85.02841	13.8
85.99976	1.1
87.00778	5.3
87.04398	1.5
89.02335	2.0
95.01302	2.4
97.02843	0.5
99.00778	10.5
101.02334	2.4
103.03914	0.8
111.00790	3.4
111.04435	2.2
112.01596	0.4
113.02362	8.1
115.00292	0.4
115.03920	1.4
123.00790	1.2
125.02354	0.7
129.01831	0.6
131.03421	4.8
140.01085	1.6
141.01857	0.6
143.03432	3.6
145.04996	0.8
155.03479	1.9
155.04619	0.4
157.01344	0.8
163.06001	1.2
205.07196	1.7
218.07393	0.3
238.17732	0.2
252.74461	0.3
293.21393	0.3
340.51196	0.3
439.35828	0.9
465.37476	1.0
514.39453	0.3
548.69208	0.3
549.09924	0.3
549.36670	0.3
590.32617	0.3
595.40100	1.0
596.40436	0.3
650.46411	0.3
665.43707	0.3
921.52631	0.6
1033.54797	1.5
1051.55054	100.0
1052.55334	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99194	1.7
73.02835	3.4
75.00763	6.9
78.95785	0.9
81.03336	0.2
83.00799	0.2
83.01276	2.4
85.02843	9.9
85.99984	0.9
86.03196	0.1
87.00771	4.7
87.04410	1.5
89.02340	4.1
89.02737	0.1
89.02908	0.2
93.03334	0.1
93.67899	0.1
95.01287	3.6
97.02853	3.5
97.03481	0.2
98.55020	0.1
99.00780	7.6
99.04403	0.2
101.02344	6.9
103.03908	1.2
109.02869	0.2
111.00782	0.4
112.01546	0.4
113.02360	6.9
114.02699	0.2
115.00285	0.2
115.03925	1.5
119.03423	1.1
123.00797	1.4
125.02370	4.9
127.03899	0.2
131.03423	3.2
135.04478	0.1
137.09543	0.1
139.00293	0.2
141.01830	0.1
142.02646	0.2
143.03438	3.6
145.04948	0.6
152.99527	0.4
157.01393	0.6
161.04527	0.7
163.06081	1.5
205.07169	2.4
217.04933	0.1
247.08229	0.3
268.41409	0.1
340.50476	0.1
395.11496	0.1
409.13138	0.1
439.35568	0.2
465.37247	0.4
565.39142	1.1
566.39740	0.2
567.40833	0.2
587.16193	0.1
635.43579	0.5
707.42169	0.2
725.42999	0.4
825.33228	0.1
863.51874	0.3
905.49548	0.1
951.53729	0.2
989.55713	0.2
1019.51764	0.5
1033.53845	2.0
1034.54236	0.4
1051.55005	100.0
1052.55310	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99197	1.3
73.02836	4.2
75.00762	6.0
81.03358	0.2
81.52086	0.1
82.24109	0.1
83.01277	1.9
84.02065	0.2
85.02841	9.0
85.99996	0.9
86.03186	0.1
87.00768	5.1
87.04402	1.5
89.02335	2.9
95.01283	2.8
97.02851	4.6
97.03493	0.2
99.00780	7.5
99.04401	0.3
101.02345	5.9
103.03916	1.2
104.32206	0.1
111.00765	0.3
112.01566	0.3
113.02354	6.3
115.00251	0.2
115.03919	2.0
119.03422	0.7
125.02367	6.1
126.02764	0.1
127.03952	0.1
129.01860	0.2
131.03421	2.9
132.03705	0.1
139.00291	0.3
141.01970	0.1
142.02621	0.1
143.03433	3.3
145.04987	0.4
157.01346	0.6
159.02881	0.2
161.04500	0.4
163.06058	1.0
205.07147	1.8
223.35959	0.1
247.08310	0.3
329.97760	0.1
439.35800	0.2
465.37286	0.3
565.38904	1.3
565.78491	0.1
566.39459	0.1
567.41052	0.2
635.43280	0.5
707.41614	0.3
725.42743	0.4
863.52496	0.3
951.52344	0.1
989.55865	0.1
1033.54077	2.1
1034.54138	0.5
1036.36560	0.1
1051.55029	100.0
1052.55347	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99194	1.5
73.02439	0.2
73.02834	3.0
75.00763	5.8
79.01762	0.2
81.03353	0.3
81.30266	0.1
82.83909	0.1
83.01273	2.3
83.04924	0.2
84.02078	0.1
85.02841	9.2
85.99995	1.1
87.00769	5.1
87.04405	1.3
89.01760	0.2
89.02333	3.4
93.03362	0.3
95.01284	9.7
96.01588	0.2
96.95914	0.4
97.02841	1.0
99.00780	9.9
99.04437	0.2
101.02344	6.3
102.02641	0.2
103.03918	1.3
108.02090	0.1
109.02847	0.4
111.00823	0.8
112.01556	0.3
113.02357	6.3
115.00298	0.3
115.03937	1.3
119.03400	1.0
119.04919	0.3
121.02872	0.3
123.00800	9.4
124.01105	0.2
125.02370	1.8
127.03883	0.1
129.01843	0.1
131.03418	3.1
133.02908	0.2
135.04440	0.4
137.02361	0.2
139.00276	0.4
139.03899	0.1
141.01881	1.8
143.03435	3.6
145.04961	0.4
145.10208	0.1
149.02399	0.3
151.00334	0.2
151.03954	0.2
153.01903	0.2
157.01317	0.6
161.04472	0.7
163.06085	1.2
165.01888	0.1
165.05450	0.1
177.01892	0.2
178.06296	0.2
179.05525	0.2
181.05054	0.2
191.03362	0.2
205.07138	2.4
247.08243	0.2
265.43768	0.1
269.04532	0.2
367.12091	0.1
394.10565	0.2
395.11057	0.3
409.12967	0.9
439.20285	0.2
439.35809	0.4
441.21500	0.3
501.18100	0.1
651.43140	0.1
705.40460	0.3
723.41248	0.5
741.42169	0.1
880.21332	0.2
987.52948	0.5
1013.38727	0.2
1031.52368	2.3
1032.52588	0.5
1049.53503	100.0
1050.53809	19.3
1068.08582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99194	1.9
73.02444	0.3
73.02834	3.5
75.00761	6.7
78.95755	0.2
81.03354	0.2
83.01272	1.9
85.02843	9.6
85.99983	1.0
87.00771	5.7
87.04422	1.1
89.02338	3.4
93.03356	0.4
95.01284	10.3
96.01622	0.2
96.95925	1.4
97.02852	1.2
99.00778	11.1
99.04411	0.4
101.02345	6.5
103.03893	0.9
103.41275	0.2
108.02096	0.2
109.02847	0.4
111.00780	0.6
112.01535	0.3
113.02357	6.8
115.00301	0.3
115.03936	1.5
117.60829	0.2
119.03418	0.9
119.04924	0.6
121.02868	0.4
123.00802	10.7
124.01140	0.2
125.02370	2.1
127.03889	0.2
131.03419	3.4
133.02850	0.2
135.04413	0.6
136.01694	0.2
137.02359	0.3
139.00266	0.6
141.01855	1.6
143.03436	3.6
145.04996	0.4
149.02339	0.4
157.01349	0.4
161.02353	0.3
161.04515	0.6
163.03964	0.4
163.06062	1.6
167.03468	0.2
178.06322	0.2
188.56709	0.2
191.03534	0.2
193.08693	0.5
195.06503	0.2
205.07170	2.3
209.08063	0.3
247.08186	0.3
269.04523	0.2
364.09543	0.3
395.11267	0.4
409.13040	0.3
435.14673	1.7
436.14868	0.5
437.14966	0.3
439.35831	0.3
466.51593	0.2
597.20087	0.2
639.20715	0.3
705.40356	0.3
723.41101	0.5
978.53046	0.3
987.53571	0.4
1031.52441	2.9
1032.53748	0.4
1049.53528	100.0
1050.53882	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	1049.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99194	1.4
73.02838	2.6
75.00761	5.0
81.03328	0.3
83.01270	1.9
83.23737	0.2
85.02841	7.9
85.99990	1.0
87.00770	4.8
87.04405	1.2
89.02332	2.8
92.17976	0.2
93.03355	0.5
95.01281	8.2
96.95918	0.4
97.02838	1.0
99.00778	8.4
101.02339	5.1
103.03890	1.1
107.42725	0.2
109.02868	0.2
111.00790	0.6
112.01554	0.3
113.02357	5.4
115.00253	0.3
115.03894	1.3
119.03382	0.9
121.02886	0.2
123.00802	8.4
125.02363	1.6
129.01868	0.2
131.03423	2.5
135.04439	0.2
137.02388	0.3
139.00299	0.2
141.01862	1.8
143.03436	3.2
145.04973	0.3
148.42067	0.2
151.00313	0.2
157.01337	0.6
161.04456	0.5
163.03944	0.3
163.05995	1.3
205.07182	2.1
247.08232	0.3
267.45193	0.2
269.04492	0.2
285.32138	0.2
317.06204	0.2
395.11600	0.2
409.13574	0.2
439.35818	0.4
449.16229	0.2
637.77765	0.2
723.40875	0.6
724.43335	0.2
987.54297	0.3
1031.52478	2.6
1032.54407	0.4
1049.53516	100.0
1050.53821	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	1049.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99193	0.6
73.02837	3.9
75.00759	0.3
81.03353	0.2
83.01276	1.5
83.04902	0.2
85.02843	2.8
87.00780	0.2
89.02344	1.4
93.03349	0.3
95.01280	0.5
95.04929	0.4
96.95893	0.2
97.02851	0.9
98.18908	0.1
99.00796	0.5
101.02335	4.0
103.01817	0.2
103.03953	0.3
105.03313	0.2
105.07012	0.2
107.04899	0.2
108.02082	0.2
108.05723	0.3
109.02856	0.3
109.06506	0.3
111.04455	0.3
113.02354	2.5
113.05987	0.5
117.03362	6.5
119.03426	0.5
119.04894	0.2
121.02895	0.3
121.06463	0.2
122.03640	0.4
123.08080	0.9
125.02383	0.3
125.05999	0.7
127.11202	0.1
131.01323	1.2
131.03467	0.2
135.00748	0.1
135.04437	0.2
135.08119	0.2
136.05202	0.8
137.05994	0.3
138.06795	4.4
139.07587	1.8
143.03442	0.3
145.02901	0.2
149.02406	0.2
149.04509	0.4
149.05989	0.3
151.00323	0.1
151.03957	0.2
151.07585	4.3
151.08760	0.3
152.04745	0.4
152.08366	6.1
153.09151	24.3
154.09554	0.7
159.04550	0.2
161.02441	0.8
161.04515	1.5
161.09712	0.3
163.00304	0.3
163.03970	0.8
163.11212	0.5
165.01830	0.2
165.09183	0.7
167.07069	0.4
173.02390	4.0
174.02814	0.2
175.00325	8.0
176.00662	0.2
177.01900	0.2
179.05632	0.2
179.10732	0.6
185.02312	0.3
187.11261	0.2
188.07114	0.5
189.07413	0.2
190.09940	0.5
191.03528	0.3
193.01364	0.3
193.06519	0.4
201.05521	0.1
203.03674	0.3
203.05606	1.3
205.12326	10.1
206.12735	0.4
209.05998	0.2
221.06372	0.5
223.13405	11.2
224.13672	0.4
225.05597	0.3
237.05551	0.4
249.05667	1.0
251.03581	0.3
253.05191	0.3
265.05130	0.6
269.04620	2.7
279.06604	0.2
281.04642	2.5
282.05417	2.5
283.06189	5.9
284.06308	0.3
289.91238	0.1
293.04617	100.0
294.04968	6.4
295.06122	1.4
297.03983	0.2
307.06158	0.4
309.04211	0.4
310.04895	0.4
311.05676	11.0
312.05972	0.8
314.04355	1.4
323.05627	2.9
323.09378	0.2
324.06027	0.2
335.05585	1.1
337.07358	0.2
341.06744	2.7
353.06689	0.9
365.06558	0.2
367.17679	10.5
368.17853	0.9
385.18805	3.4
386.19040	0.2
413.08862	20.3
414.09015	1.2
427.19797	25.7
428.20197	1.9
431.09839	0.3
457.11398	2.1
471.14728	0.1
471.18695	0.4
565.29901	0.2
577.15723	97.7
578.16064	9.9
578.23047	0.2
846.32581	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	1041.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01607	0.3
72.99197	1.9
73.02835	7.8
74.03177	0.2
75.00761	10.0
81.03356	0.4
83.01273	4.0
84.02058	0.2
85.02841	18.3
85.99992	1.5
86.03173	0.5
87.00771	5.7
87.04411	1.9
88.98758	0.2
89.02333	2.9
90.70876	0.1
95.01285	2.4
96.95891	0.7
97.02843	0.6
99.00778	10.4
99.04395	0.8
101.02350	4.3
103.03907	1.1
108.02082	0.4
109.02861	0.5
111.00777	0.6
112.01579	0.3
113.02354	11.0
114.02708	0.4
115.00266	0.5
115.03924	1.9
119.03423	0.5
119.04927	0.1
121.02851	0.2
123.04464	0.2
125.02364	1.3
127.03899	0.2
129.01878	0.2
131.03423	5.1
135.04427	0.4
137.02339	0.4
139.00284	0.4
143.03430	3.8
145.04997	1.1
147.04405	0.2
149.02383	0.9
151.00334	0.7
152.00999	0.3
157.01364	0.6
161.04498	0.6
163.03925	0.2
163.06078	0.9
164.04774	0.6
179.03575	0.2
189.03928	0.3
190.02751	0.3
205.05251	0.3
205.07167	2.1
206.47737	0.1
209.08313	0.2
209.11859	0.2
223.06038	0.7
245.06760	1.0
247.08295	0.2
269.04645	0.3
271.06104	0.3
282.05301	0.2
287.05536	0.2
315.07324	0.2
322.05048	0.1
351.08786	0.2
365.10382	0.2
371.10049	0.2
395.11346	0.6
401.14511	0.3
436.63739	0.1
437.38535	0.1
439.35742	0.2
455.09671	0.2
465.15759	1.2
466.15997	0.1
471.34845	1.4
472.35010	0.3
519.26874	0.2
585.22040	0.4
585.41681	1.4
586.42078	0.3
615.39124	0.4
627.21130	0.4
633.39777	0.9
634.40869	0.2
653.20905	0.4
669.22186	0.3
675.41321	1.8
676.41687	0.4
745.46130	0.2
777.44397	0.3
795.45178	0.9
796.46075	0.3
837.46643	7.8
838.47003	2.1
839.47327	0.2
938.52008	0.3
939.00745	0.4
939.50439	0.2
985.88000	0.2
997.44281	0.2
1021.54028	0.3
1023.55707	1.3
1024.55676	0.3
1039.55408	1.9
1040.56799	1.0
1041.56592	100.0
1042.56897	22.3
1043.57422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99207	2.0
73.02837	3.5
74.48183	0.2
75.00764	7.0
78.95791	0.3
81.03368	0.2
83.01269	2.2
85.02848	10.1
85.90733	0.2
85.99984	0.8
87.00776	4.6
87.04422	1.2
89.02343	4.2
92.53263	0.2
95.01288	2.4
96.95890	0.5
97.02843	0.4
99.00779	6.9
99.04440	0.2
101.02342	7.2
103.03919	1.5
112.01585	0.6
113.02360	6.2
115.00260	0.3
115.03911	1.3
119.03413	0.9
125.02433	0.3
131.03430	3.0
131.95247	0.2
139.00327	0.5
143.03432	3.7
145.05003	0.6
157.01363	0.5
161.04501	0.7
163.06107	1.4
205.07147	2.4
247.08270	0.5
291.93619	0.2
292.55606	0.2
542.44806	0.2
555.40576	2.3
556.41528	0.4
625.44543	1.1
626.45801	0.4
654.47028	0.3
697.43256	0.3
715.44299	0.4
979.57208	0.4
1006.66425	0.3
1007.00513	0.2
1023.55426	2.3
1024.55823	0.6
1041.56653	100.0
1042.56995	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01592	0.2
72.99191	1.5
73.02835	5.0
73.03247	0.3
75.00761	8.2
75.39191	0.1
81.03331	0.2
82.88380	0.1
83.01275	2.4
85.02843	14.9
85.99496	0.2
85.99982	1.3
86.03176	0.2
87.00771	4.7
87.04412	1.6
88.98662	0.2
89.02336	2.6
91.11678	0.1
95.01283	1.8
96.95898	0.4
97.02818	0.3
98.19908	0.1
99.00780	9.0
99.04404	0.4
100.01097	0.2
101.01703	0.2
101.02344	2.9
103.03910	1.1
107.24338	0.1
108.02005	0.2
109.02848	0.2
109.94696	0.1
111.00797	0.5
112.01564	0.3
113.02354	7.0
114.02660	0.2
115.00290	0.3
115.03922	1.6
119.03400	0.4
119.04942	0.4
125.02373	0.7
129.01851	0.1
131.03423	5.0
135.04451	0.2
137.02327	0.2
137.09503	0.1
139.00275	0.4
143.03424	3.3
145.05019	0.7
150.03140	0.1
151.00296	0.2
152.01018	0.2
157.01344	0.7
161.02351	0.1
161.04501	0.3
163.04021	0.2
163.06061	0.8
165.05530	0.2
166.02600	0.1
169.68781	0.1
179.03502	0.2
194.05655	0.1
205.07152	1.6
209.08101	0.1
213.14238	0.1
246.66629	0.1
269.04510	0.2
271.06110	0.1
301.07391	0.1
402.16171	0.1
453.33420	0.2
513.74597	0.1
537.29034	0.2
545.13306	0.1
574.88922	0.1
585.37939	1.6
586.38293	0.3
655.42078	0.7
699.41095	0.2
745.41919	0.2
749.44745	0.2
759.97290	0.1
761.64313	0.1
763.42255	0.1
788.15448	0.1
855.36029	0.1
879.28082	0.2
1023.51556	1.1
1024.52576	0.3
1041.52966	100.0
1042.53271	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	1041.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01597	0.3
72.99202	2.2
73.02836	5.6
75.00763	8.9
81.03340	0.5
83.01269	3.4
83.04894	0.3
83.96771	0.3
85.02842	14.4
85.99988	1.2
87.00769	7.1
87.04414	1.9
88.98696	0.5
89.02331	4.8
91.65586	0.2
93.03371	1.2
94.91322	0.2
95.01279	3.1
95.59187	0.2
96.95898	1.5
97.02834	0.8
98.19831	0.3
99.00777	11.0
99.04428	0.4
99.92477	0.3
101.02345	9.7
103.03922	1.5
107.01294	0.7
108.02066	1.4
109.02872	1.3
111.00770	0.9
112.01569	0.6
113.02357	10.2
114.93362	0.2
115.00323	0.3
115.03934	1.8
115.47424	0.2
119.03441	1.6
119.04930	0.8
121.02869	0.5
123.04438	0.5
125.02383	3.2
129.01840	0.5
131.03426	4.3
133.02786	0.3
134.03642	0.5
135.04474	1.2
136.01579	0.5
137.02365	2.1
139.00278	0.5
143.03447	4.4
145.04936	0.6
147.04420	0.3
148.01602	0.4
149.02399	0.8
149.06007	0.6
150.03099	0.5
151.00316	2.4
151.03932	0.6
152.01103	1.3
153.01843	1.0
157.01344	0.9
161.02420	1.0
161.04497	1.5
161.05678	0.3
163.03954	0.6
163.06078	1.3
165.01855	0.7
165.05510	0.5
167.03406	0.7
173.02457	0.3
175.03918	0.5
177.01892	1.0
177.05505	0.4
179.03490	0.5
181.05022	0.4
191.03452	0.2
193.05060	0.6
195.06682	0.3
205.05220	0.6
205.07144	2.4
207.10138	0.3
211.13344	0.3
223.06013	0.5
223.50665	0.3
241.04953	0.3
253.05023	0.3
267.53168	0.2
269.04626	1.1
271.06110	0.6
284.03320	0.7
285.04150	1.1
286.04590	0.3
287.05734	1.0
293.04871	0.3
315.07492	0.6
351.08582	0.3
401.14621	0.6
425.08578	0.4
439.32169	0.3
509.36655	0.3
511.34448	1.7
512.34747	0.3
549.15662	0.3
581.38873	0.6
593.15106	0.5
594.16028	1.1
595.16638	0.3
863.76801	0.3
955.49152	1.3
979.49261	2.4
980.50909	0.4
997.50378	100.0
998.50641	21.8
1041.36243	1.1
1041.52881	2.1
1042.36255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01643	0.2
72.99207	1.9
73.02834	4.7
74.68958	0.2
75.00761	12.5
81.03336	0.5
83.01277	2.4
85.02841	18.6
85.99974	1.5
87.00767	5.8
87.04411	3.5
88.98696	0.4
89.02346	2.7
93.03387	0.3
95.01279	1.8
96.95921	1.5
97.02850	0.7
97.09698	0.2
99.00777	10.1
99.04407	0.3
101.02344	3.5
103.03901	0.9
108.02068	0.3
109.02848	0.9
111.00770	0.6
112.01541	0.4
112.29350	0.2
113.02354	7.6
115.00294	0.4
115.03933	2.8
116.92786	0.2
119.03393	0.5
119.04893	0.3
121.02833	0.6
123.04460	0.3
125.02368	3.8
131.03429	4.9
135.04410	1.0
137.02379	0.7
139.00290	0.5
143.03426	4.6
145.04991	0.4
149.02374	0.4
151.00287	0.5
157.01340	0.7
161.02382	0.5
161.04454	0.4
163.06013	0.6
165.05475	0.4
166.02635	0.3
177.01852	0.3
190.02707	0.2
205.07173	1.6
247.08334	0.3
253.05081	0.3
271.06137	0.3
315.07379	0.5
389.28336	0.3
409.12860	0.4
439.35745	1.2
440.36435	0.3
441.38043	0.3
509.40213	0.4
583.40167	0.9
876.72205	0.3
953.51788	0.3
956.39453	0.2
995.48206	0.3
1021.54944	1.3
1022.54181	0.4
1039.55078	100.0
1040.55432	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	1039.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01605	0.2
72.99199	1.7
73.02835	3.8
75.00764	9.1
79.38439	0.2
83.01273	2.5
85.02844	14.0
85.99992	1.2
86.03225	0.2
87.00774	5.4
87.04417	1.7
89.02338	1.9
95.01286	2.1
96.95915	0.4
96.99211	0.7
97.02835	0.4
99.00781	8.9
101.02338	2.0
103.03918	0.9
109.02922	0.2
111.00066	0.3
111.00796	4.1
112.01611	0.3
112.98701	0.5
113.02360	7.6
115.00253	0.4
115.03919	1.3
119.03421	0.3
125.02393	0.3
127.03894	0.2
129.01862	2.5
131.03424	3.5
139.00262	0.3
139.86031	0.2
143.02361	0.3
143.03436	4.3
145.04988	0.6
157.01369	0.5
163.06032	0.8
205.07137	1.4
216.58261	0.2
332.18741	0.2
344.38306	0.2
357.19550	0.2
423.32895	0.2
439.36240	0.2
537.36182	0.3
539.37585	0.3
583.40356	1.5
653.43933	0.4
743.44061	0.3
893.49976	0.3
1021.53357	1.6
1022.53564	0.4
1039.55090	100.0
1040.55334	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01636	0.1
72.99198	1.8
73.02836	5.2
73.90320	0.1
75.00763	11.6
79.95647	0.1
81.03353	0.5
83.01276	2.0
84.02044	0.2
85.02843	16.4
85.99989	10.0
86.03169	0.3
87.00770	6.4
87.04408	4.0
88.98701	1.2
89.02341	2.6
95.01286	1.9
96.95919	0.7
97.02840	1.1
99.00780	10.2
99.04419	4.4
100.01089	0.2
101.02349	2.9
103.03905	1.2
108.02079	0.2
109.02843	0.2
111.00787	0.4
112.01543	0.4
113.02355	7.9
114.02667	0.2
115.00288	0.5
115.03928	2.8
119.03404	0.4
119.04972	0.2
125.02369	2.9
127.03893	0.1
129.01895	0.3
131.03429	5.1
135.04405	0.1
137.05989	0.2
139.00290	0.4
143.03436	5.7
144.03783	0.2
145.05014	0.7
149.02419	0.1
151.00330	0.1
151.03957	0.2
157.01367	0.9
161.04500	0.2
163.03973	0.2
163.06062	0.9
165.05482	0.2
189.03955	0.1
205.07170	1.9
219.35324	0.1
220.45723	0.1
247.08269	0.2
299.05420	0.1
381.13315	0.2
387.49826	0.1
389.28851	0.1
397.12762	0.1
409.13000	0.2
411.14551	0.2
439.35727	0.9
507.38452	0.1
509.40018	0.3
579.40179	0.1
583.40198	0.9
597.41614	0.2
625.40039	0.2
743.43726	0.2
833.51404	0.2
895.50745	6.3
896.51410	1.1
995.50769	0.2
1021.54047	1.6
1022.55078	0.2
1033.33728	0.1
1039.55042	100.0
1040.55347	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99213	1.2
73.02838	4.2
75.00762	9.3
75.87788	0.2
76.08197	0.2
83.01269	2.1
85.02843	14.3
85.99987	1.4
87.00769	5.1
87.04408	1.7
89.02332	2.1
90.17311	0.2
95.01278	2.5
96.95927	0.5
96.99224	1.4
97.02848	0.4
99.00779	9.2
100.01079	0.3
101.02361	2.2
103.03917	0.8
111.00792	4.8
112.01590	0.4
112.98730	0.7
113.02359	7.5
115.00263	0.5
115.03924	1.4
119.03427	0.4
125.02359	0.3
127.03935	0.3
129.01869	2.5
131.03418	4.3
134.95702	0.2
143.03429	4.5
145.04993	0.8
157.01361	0.5
163.06105	0.7
173.16750	0.2
205.07185	1.4
314.40833	0.3
316.47870	0.3
360.61810	0.3
383.56613	0.3
439.35889	0.4
583.40186	1.5
653.44440	0.3
743.44104	0.3
1021.53674	2.8
1022.03857	0.8
1022.53638	0.6
1039.55078	100.0
1040.55371	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01635	0.4
72.99195	2.0
73.02836	8.8
75.00364	0.6
75.00765	7.1
79.95624	4.6
80.99714	0.3
81.03357	0.8
83.01278	3.8
85.02843	15.7
85.99996	2.0
87.00772	7.0
87.04429	1.5
89.02345	2.7
95.01292	2.8
96.95914	66.4
97.02846	0.4
99.00779	12.1
99.04425	2.4
101.02347	3.1
103.03909	1.0
108.02108	0.5
109.02860	0.4
111.00787	0.9
113.02363	8.8
115.00261	0.5
115.03919	1.4
117.03455	0.4
119.03439	0.7
125.02373	1.0
129.01881	0.5
130.99774	0.9
131.03429	4.9
135.04419	0.4
137.02382	0.3
137.06004	0.6
139.00302	0.7
143.03433	3.5
151.00313	0.6
151.03944	0.4
157.01381	0.4
161.02316	0.5
161.04504	0.7
163.06073	0.6
165.05508	0.9
168.37450	0.3
205.07184	1.4
242.93222	0.3
254.04314	0.9
325.20367	0.4
335.05652	0.9
395.11337	0.5
425.08844	1.2
437.16211	0.3
439.20135	0.4
439.35760	0.6
445.32205	0.4
465.37396	2.9
466.38181	0.4
485.35599	0.4
511.37997	0.5
535.41718	0.7
545.12927	1.7
652.29297	0.5
743.44135	0.9
841.32520	1.6
855.86530	0.3
921.52948	1.7
941.52704	0.5
995.53589	0.4
1021.54810	1.8
1039.55139	100.0
1040.55408	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	1039.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01587	0.3
72.99187	1.8
73.02835	4.8
75.00761	7.4
79.95614	0.5
81.03350	0.4
83.01281	3.7
83.02895	0.3
85.02841	13.3
85.99976	1.3
86.03170	0.4
87.00777	6.7
87.04411	2.3
88.98679	0.7
89.02341	3.9
93.03349	0.4
93.73078	0.2
95.01288	2.2
96.95301	0.3
96.95916	6.9
97.02847	2.2
99.00781	8.4
99.04420	9.3
100.01136	0.4
101.02344	7.0
103.03944	1.3
109.02875	0.4
111.00758	0.4
112.01590	0.5
113.02357	8.5
114.02684	0.3
115.00285	0.3
115.03922	2.7
119.03411	1.3
119.04876	0.3
121.02896	0.3
125.02370	2.8
131.03426	4.1
135.04384	0.5
137.02402	0.5
139.00327	0.4
143.03433	4.6
145.05022	0.7
149.02423	0.5
151.00319	0.3
154.87715	0.3
157.01366	0.5
161.04507	0.8
163.03966	0.6
163.06029	1.0
164.80376	0.3
172.48418	0.3
183.90399	0.3
205.07144	2.0
247.08093	0.4
320.34766	0.3
379.11630	0.4
395.11267	0.5
437.16132	0.6
439.35678	0.5
463.17624	0.4
553.39075	1.2
623.43274	1.0
713.43652	0.5
895.50726	8.5
896.51459	1.6
1021.53900	2.3
1022.55627	0.6
1038.55518	1.6
1039.55029	100.0
1040.55408	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	1039.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01606	0.3
72.99196	2.9
73.02831	5.8
75.00761	9.1
77.89977	0.1
81.03342	0.5
83.01273	4.1
83.04920	0.2
84.02080	0.2
85.02839	15.3
85.99991	1.3
86.03178	0.2
87.00768	8.1
87.04403	2.2
89.02335	7.2
93.03365	0.5
95.01282	3.8
96.95905	1.9
97.02869	1.0
99.00775	12.5
99.04402	0.3
99.08815	0.2
101.02343	10.5
102.02661	0.1
103.03909	2.5
107.01259	0.1
108.02068	0.4
109.02846	0.7
111.00793	0.8
112.01533	0.4
113.02354	11.4
114.02695	0.2
115.00267	0.4
115.03931	2.1
116.92751	0.2
119.03422	1.6
119.04944	0.4
121.02860	0.3
123.00790	0.1
125.02353	1.5
126.07626	0.1
127.03917	0.4
129.01837	0.4
130.47888	0.1
131.02467	0.3
131.03418	4.5
133.02837	0.2
134.03619	0.2
135.04424	0.6
136.94505	0.1
137.02344	0.5
139.00317	0.4
139.03874	0.1
143.03429	5.7
145.05000	1.0
149.02406	0.1
151.00311	0.3
151.03969	0.2
153.01889	0.2
157.01352	0.8
160.01659	0.2
161.02414	0.3
161.04495	1.3
163.00288	0.2
163.03894	0.3
163.06053	1.8
164.04567	0.1
165.01860	0.2
165.05432	0.2
166.02667	0.2
175.04028	0.1
176.80362	0.1
177.01901	0.4
185.33548	0.1
205.05249	0.3
205.07147	3.3
222.01714	0.2
223.06071	0.2
237.03819	0.1
247.08205	0.2
269.04825	0.2
283.06326	0.2
287.05374	0.2
315.07452	0.3
405.31674	0.3
467.31857	0.2
485.31415	0.2
507.34689	0.5
509.32776	2.9
510.33051	0.4
511.34491	0.4
537.35834	0.4
539.50183	0.1
579.36914	1.6
581.34924	0.2
593.64795	0.2
623.36023	0.2
669.36627	0.7
687.37286	0.2
697.01697	0.2
872.90332	0.2
891.48029	0.2
933.48053	0.3
953.47681	1.5
954.48169	0.3
977.47699	2.0
978.48199	0.3
995.48737	100.0
996.49048	16.2
1001.92902	0.2
1039.48584	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	1039.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01609	0.3
72.99191	1.8
73.02833	6.5
73.03248	0.3
75.00761	9.6
78.26678	0.1
80.56824	0.1
81.03336	0.4
83.01272	3.5
84.02064	0.4
85.02838	16.4
85.99977	1.7
86.03167	0.2
87.00771	7.6
87.04403	2.2
89.02335	5.0
89.02900	0.2
93.03336	0.2
95.01281	4.2
96.95910	0.8
97.02854	1.1
98.01131	0.1
98.20436	0.3
99.00777	11.5
99.04408	0.4
101.02341	9.3
103.03909	1.6
108.02061	0.2
109.02859	0.4
111.00788	0.6
112.01581	0.7
113.02354	11.1
114.02644	0.2
115.00290	0.3
115.03926	2.5
119.03413	1.3
119.04884	0.1
125.02371	1.4
126.25848	0.1
127.03934	0.3
128.90100	0.3
129.01833	0.4
131.02467	0.3
131.03423	4.7
132.03795	0.2
135.04483	0.2
137.02330	0.4
139.00273	0.6
143.03429	5.5
145.05002	0.8
151.03897	0.2
152.01064	0.2
153.01877	0.1
157.01358	0.9
159.02875	0.3
161.01031	0.2
161.02437	0.2
161.04514	0.7
163.06071	1.8
205.07126	2.8
247.08318	0.4
405.31735	0.3
467.32001	0.3
507.35043	0.4
509.32843	3.1
510.32800	0.2
511.34357	0.3
537.36029	0.3
559.60455	0.2
579.37268	1.7
580.37854	0.2
581.34894	0.2
623.36523	0.2
651.35602	0.3
669.37079	0.3
758.12396	0.2
933.48572	0.3
953.47644	1.5
954.49420	0.2
977.48071	2.1
995.48761	100.0
996.49115	14.0
1039.48047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
71.91680	0.3
72.01593	0.3
72.99203	1.4
73.02839	3.5
75.00764	9.5
81.03336	0.4
83.01282	2.2
85.02843	13.9
85.99984	0.8
87.00775	4.0
87.04416	1.3
88.98679	0.4
89.02338	3.4
93.03323	0.3
95.01289	2.3
96.53754	0.3
96.95912	2.1
97.02845	3.9
98.20542	0.8
99.00781	10.2
99.01443	0.5
101.02354	2.9
103.03914	0.4
108.02105	0.7
111.00761	0.5
111.33512	0.2
111.93889	0.3
112.01554	0.3
113.02357	7.3
114.02673	0.4
115.03921	0.9
116.92754	0.5
119.04940	0.3
121.02848	0.5
125.02368	15.7
126.02723	0.4
129.01884	0.5
131.03415	3.3
134.03674	0.3
135.04433	0.7
135.22363	0.3
137.02362	0.5
137.06038	0.9
138.06366	0.4
139.00253	0.5
143.03439	2.7
145.04973	0.4
147.04480	0.4
149.02309	0.5
151.00235	0.6
151.03981	0.3
152.01170	0.3
157.01387	0.9
161.04509	0.8
163.06020	0.6
165.01907	0.3
165.05495	1.1
166.05821	0.4
200.45151	0.3
205.07137	1.2
240.58260	0.3
395.11404	0.6
409.13208	0.3
455.35355	0.3
545.13354	0.5
571.40527	0.3
581.38208	0.4
625.39508	0.4
683.36389	0.3
794.43610	0.3
933.49377	0.4
993.52985	1.6
1019.53760	1.3
1037.53564	100.0
1038.53772	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99193	2.5
73.02833	5.9
73.03243	0.3
75.00763	11.8
81.03329	0.4
83.01272	3.4
85.02840	20.4
85.99995	1.4
86.03149	0.3
87.00764	8.0
87.04420	2.2
89.02335	4.6
95.01292	3.5
96.95918	0.8
96.99165	0.3
97.02867	1.4
97.35590	0.2
99.00777	44.3
99.04432	0.5
100.01089	0.4
101.02344	5.2
103.03926	2.0
109.02854	0.3
111.00790	1.2
112.01561	0.3
113.02355	19.6
114.02691	0.4
115.00275	0.5
115.03925	1.8
119.03416	0.8
125.02364	1.1
129.01886	1.5
131.03418	6.5
139.00240	0.4
141.01865	22.1
143.03427	5.5
145.05016	0.6
157.01366	1.1
161.04445	0.4
163.06059	1.5
205.07188	2.6
247.08260	0.8
252.04674	0.3
439.35754	0.6
467.35333	0.7
537.40033	0.4
551.37750	1.0
621.41821	0.5
748.80927	0.3
782.53156	0.3
895.50787	18.6
896.51532	3.2
905.48334	0.6
923.50323	58.7
924.50653	9.9
993.53021	0.5
1019.52588	3.3
1037.53528	100.0
1038.53735	21.3
1038.76367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01595	0.4
72.99206	1.4
73.02837	3.4
75.00763	6.8
78.76843	0.2
83.01280	3.6
84.02108	0.3
85.02843	13.3
85.99988	0.8
87.00769	3.0
89.02338	8.5
95.01287	3.5
96.95924	0.4
97.02854	5.3
97.03478	0.3
98.19864	0.3
99.00777	11.4
99.04348	0.2
101.02345	8.9
111.00796	0.3
111.03861	0.3
112.01579	0.4
113.02352	10.7
115.00256	0.4
115.03938	0.3
119.03407	1.0
123.00812	0.3
125.02361	6.9
129.01842	0.4
131.03421	8.6
139.00285	0.4
141.01878	2.3
143.03445	1.0
149.04489	1.7
157.01398	0.4
161.04503	0.9
191.05580	5.4
191.07166	0.4
216.22902	0.2
233.06702	1.2
241.64209	0.3
267.13486	0.3
280.80743	0.3
305.59366	0.3
311.09760	0.3
365.10730	0.5
435.14557	0.9
465.37466	0.3
469.12402	0.3
565.39203	1.5
635.43256	1.0
707.41724	1.0
712.54401	0.3
717.46472	0.3
725.42560	0.6
743.45624	0.3
895.51483	1.0
905.49359	0.4
923.50238	4.5
924.51105	0.6
937.53741	0.4
1019.52563	3.3
1020.52734	0.7
1037.53528	100.0
1038.53784	18.0
1038.76196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01607	0.2
72.99197	1.6
73.02834	4.1
75.00761	9.1
79.01762	0.2
81.02892	0.1
81.03334	0.2
83.00804	0.1
83.01276	2.1
84.02061	0.2
85.02841	12.4
85.99989	1.1
86.03172	0.2
87.00771	5.0
87.04408	1.8
89.02338	2.1
93.03382	0.1
95.01283	10.7
96.01612	0.2
96.52822	0.1
96.95883	0.2
97.02847	2.9
98.20520	0.1
99.00777	13.3
99.04420	0.2
100.01113	0.2
101.02346	2.2
103.03916	1.0
106.92210	0.1
108.02061	0.1
109.02849	0.1
111.00787	0.7
111.55574	0.1
112.01565	0.3
113.02354	8.3
114.02707	0.2
115.00272	0.4
115.03919	1.5
119.03439	0.4
119.04929	0.1
121.02857	0.1
123.00798	12.1
124.01128	0.2
125.02361	1.8
127.03910	0.2
129.01863	0.1
131.03427	4.6
133.02814	0.1
135.04488	0.1
139.00316	0.4
140.01080	0.3
141.01869	3.5
143.03433	3.8
145.05031	0.7
147.04451	0.1
149.02364	0.1
152.01099	0.1
157.01372	0.8
161.04541	0.1
163.06079	0.7
189.04027	0.1
205.07161	1.8
247.08302	0.2
331.05746	0.1
409.12784	0.2
423.32632	0.1
439.35776	0.4
563.37360	0.2
662.20807	0.1
723.41302	0.2
873.46906	0.2
877.50085	0.1
895.51080	0.5
896.51508	0.1
948.51245	0.3
993.54614	1.0
994.55127	0.3
1001.50922	1.1
1002.51526	0.2
1019.52393	100.0
1020.52655	20.2
1037.53589	8.3
1038.53845	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	1037.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01572	0.2
72.99201	1.8
73.02835	4.3
75.00764	9.7
81.03353	0.2
83.01278	2.2
84.02069	0.4
85.02841	18.9
85.99990	1.7
86.03181	0.2
87.00771	6.3
87.04403	1.8
89.02338	2.7
93.03377	0.1
95.01285	3.9
96.95922	0.4
97.02850	3.5
99.00780	11.5
99.04411	0.5
101.02351	3.0
103.03902	1.1
109.02863	0.2
111.00795	0.5
112.01582	0.8
113.02356	14.1
114.02705	0.3
115.00268	0.3
115.03918	1.8
116.92788	0.2
118.27427	0.1
119.03401	0.4
119.04858	0.1
121.02819	0.2
123.00789	1.6
125.02365	6.5
126.02717	0.2
129.01892	0.2
131.03427	5.7
132.03696	0.1
139.00319	0.8
141.01855	0.5
143.03435	4.8
145.05046	0.8
157.01393	1.1
161.04469	0.2
163.06015	1.0
205.07166	2.1
220.14769	0.2
221.15477	0.2
230.27586	0.2
235.01556	0.1
236.10509	0.2
247.08258	0.3
292.50311	0.1
293.17709	0.2
409.12811	0.2
437.16864	0.1
437.34473	0.2
463.35623	0.2
563.37427	0.2
583.40271	0.5
741.41901	0.2
849.50024	0.2
937.53253	0.3
993.54352	0.5
1001.50854	0.2
1019.52417	15.4
1020.52679	3.5
1037.53516	100.0
1038.53772	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	1037.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
71.75229	0.6
72.99052	3.4
73.02700	7.0
73.03137	1.2
75.00627	12.3
75.01108	2.8
79.91975	0.5
83.01129	3.6
83.01661	1.2
85.02690	24.2
85.03262	4.1
85.99843	1.7
87.00617	8.4
87.01192	1.6
87.04285	1.3
89.02190	4.5
89.02780	0.9
94.92912	0.6
95.01118	4.2
96.95743	3.9
97.02679	2.5
99.00608	62.7
99.01328	8.9
99.01682	2.5
99.04317	0.7
100.00986	1.3
101.02172	4.7
103.03754	1.7
110.72404	0.6
111.00671	1.1
113.02163	27.7
113.03039	3.6
114.02575	0.6
115.03738	2.7
116.92644	0.7
121.72680	0.6
123.00648	1.2
125.02160	4.6
131.03212	8.6
131.04298	0.8
135.04269	0.7
139.00154	1.2
141.01648	36.7
141.02843	3.1
143.03201	5.8
145.04839	1.0
157.01138	1.6
163.05818	1.7
177.01634	0.6
191.05379	0.8
205.07188	3.9
273.11072	0.8
365.10327	0.7
399.55823	0.7
435.14404	1.3
465.37500	0.9
467.35114	2.0
537.38940	0.9
895.50751	25.6
896.51147	5.0
905.49042	1.8
923.50330	93.4
924.50488	18.7
993.53430	1.2
999.54260	6.2
1001.53619	0.8
1019.52216	7.4
1020.52350	2.2
1037.53577	100.0
1038.53894	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01614	0.3
72.99196	1.6
73.02837	4.0
75.00764	8.4
76.01148	0.1
81.03353	0.4
81.42004	0.1
83.01281	2.3
83.37778	0.1
84.02077	0.2
85.02843	12.9
85.99989	1.5
86.03186	0.2
87.00773	5.3
87.04412	1.8
88.98730	0.2
89.02338	2.5
93.03365	0.2
95.01289	2.3
96.31745	0.1
96.95932	0.8
97.02332	0.1
97.02851	5.0
99.00781	9.8
99.04417	0.2
101.02349	2.4
103.03913	1.1
107.01296	0.3
108.02091	0.2
109.02879	0.4
111.00788	0.5
112.01575	0.3
113.02354	6.8
115.00295	0.4
115.03935	1.3
116.92775	0.2
119.03428	0.5
119.04902	0.2
121.02919	0.2
123.00760	0.2
125.02367	17.7
126.02702	0.4
127.03894	0.2
131.03424	4.8
131.85027	0.1
135.04436	0.3
137.02361	0.2
139.00304	0.3
142.02710	0.2
143.03436	4.1
145.04987	0.7
151.00313	0.4
157.01352	0.7
161.04442	0.2
163.03964	0.2
163.06084	0.6
165.05424	0.2
205.05255	0.2
205.07135	1.8
220.41101	0.1
247.08273	0.2
253.05193	0.1
267.09839	0.1
271.06219	0.2
277.09494	0.2
315.07321	0.2
353.10648	0.2
455.35693	0.5
457.37122	0.9
481.37241	0.2
525.39618	0.4
571.40076	1.3
581.38715	0.5
588.87811	0.1
644.39014	0.2
723.41809	0.1
764.64465	0.2
937.52246	0.2
965.47351	0.3
993.53326	0.1
1019.52423	1.9
1020.53577	0.2
1037.53540	100.0
1038.53760	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99183	0.1
73.02829	0.1
75.00777	0.1
76.28844	0.1
76.34460	0.1
78.95810	0.1
79.95630	6.3
83.01302	0.1
85.02848	0.2
87.00760	0.1
89.02370	0.1
95.01299	0.0
95.97482	0.1
96.95916	100.0
97.95865	0.2
99.00789	0.1
101.02368	0.2
113.02364	0.2
116.92765	0.1
117.03369	0.1
119.04934	0.1
125.02375	0.1
127.53577	0.1
137.02460	0.1
145.02905	0.1
148.00098	0.0
149.06024	0.1
150.03139	0.1
151.00340	0.1
152.01068	0.1
161.04442	0.1
164.04855	0.1
165.05438	0.1
167.03406	0.1
176.54504	0.0
202.69978	0.0
321.04141	0.1
401.14697	0.1
505.85587	0.1
545.13312	0.1
749.71936	0.1
939.49713	0.9
940.50745	0.2
977.46307	0.1
993.50928	0.2
1037.47229	0.6
1038.46777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5868
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	15.1
72.99180	1.3
73.02812	1.4
83.01295	2.1
83.90077	1.0
85.02845	3.9
87.00782	2.5
88.44995	0.9
89.02345	11.3
89.02853	1.6
94.10808	0.9
95.01272	1.3
97.02856	7.3
98.19655	0.9
98.56865	0.9
101.01773	1.5
101.02348	12.3
103.58633	1.0
105.41058	1.1
109.06505	1.3
111.04454	1.0
111.08045	1.7
113.02353	5.8
116.92814	2.4
119.03418	4.2
125.02386	5.3
127.07572	1.0
137.09604	1.8
143.03427	2.7
161.04491	3.8
171.10179	5.4
179.05556	3.1
179.14378	1.4
183.13869	1.4
195.13882	5.2
211.13492	1.9
221.06458	1.8
221.15492	3.3
223.13434	2.0
233.15482	1.0
235.08260	5.0
253.09367	1.1
273.18692	1.9
277.21774	44.5
278.22125	3.0
278.84970	1.1
287.07962	1.1
291.19727	22.2
292.19986	2.0
305.09024	1.4
309.20767	100.0
310.21109	6.5
323.09811	1.5
379.12488	4.2
397.13571	47.7
398.14008	1.7
415.14709	15.0
458.63315	1.1
539.94940	1.1
675.36139	5.0
689.34247	5.5
707.34906	4.2
708.35278	1.6
924.37708	1.2
967.56042	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	1033.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53809	0.2
72.99197	1.4
73.02835	4.2
75.00762	7.1
81.03315	0.1
83.01273	2.8
85.02841	13.4
85.99995	1.0
86.03197	0.2
87.00774	4.0
87.04404	1.3
89.02344	2.1
95.01288	2.1
96.95905	0.4
97.02837	0.3
99.00780	10.1
99.04427	0.4
100.01109	0.2
101.02345	2.9
103.03905	0.8
109.02882	0.1
111.00759	0.3
112.01550	0.1
113.02354	7.4
115.00289	0.3
115.03934	1.2
119.03410	0.3
119.04881	0.1
125.02328	0.4
127.03923	0.1
129.01840	0.2
131.03427	4.0
138.77840	0.1
139.00288	0.3
141.01840	0.2
143.03436	3.0
145.04987	0.5
157.01360	0.8
162.37521	0.1
163.06039	0.5
173.09723	0.2
189.04112	0.1
205.07159	2.0
243.06175	0.1
248.00514	0.2
339.27158	0.1
409.31351	0.1
417.97281	0.1
421.31540	0.2
423.32782	0.5
437.34720	0.2
439.36041	0.9
440.36044	0.2
441.37250	0.2
445.85300	0.1
459.38492	0.1
465.37778	1.2
491.35797	0.2
493.36615	0.2
535.41357	0.2
541.39099	0.3
543.40826	0.5
553.39178	0.2
555.40277	0.3
599.39746	0.4
611.43219	0.2
624.32629	0.2
657.44189	0.4
701.43115	0.5
780.98645	0.2
789.48529	0.2
895.52136	0.2
921.52490	0.6
924.67688	0.2
925.52948	0.2
935.53351	0.2
953.52399	0.2
979.53058	0.7
997.53967	100.0
998.54272	18.6
1033.49390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	19.0
72.01615	0.5
72.99210	2.1
73.02837	4.7
75.00764	6.9
80.77618	0.3
83.01283	4.2
85.02846	13.4
85.99992	1.2
87.00777	5.5
87.04423	1.6
89.02335	4.4
95.01283	3.4
96.95904	1.2
97.02848	0.8
99.00779	10.9
99.04427	0.4
101.02345	8.9
103.03921	1.4
108.02062	0.7
109.02843	0.4
111.00806	0.7
112.01572	0.4
113.02358	10.8
114.02639	0.3
115.00262	0.4
115.03931	1.4
119.03437	1.0
121.02859	0.4
125.02354	0.9
129.01910	0.4
131.03436	3.4
135.04443	0.7
137.02379	0.6
139.00308	0.5
140.36934	0.3
143.03432	3.9
145.05038	0.4
149.06024	0.3
151.00368	0.3
152.01065	0.4
157.01344	0.7
159.02975	0.3
161.02388	0.4
161.04539	0.5
163.03986	0.3
163.06065	1.4
205.07159	2.3
245.06552	0.4
247.08241	0.3
269.04706	0.4
315.07361	0.4
367.11874	0.4
373.75339	0.3
395.11337	0.6
396.12317	0.3
409.13000	1.2
410.12946	0.3
423.32465	0.3
439.35803	1.6
450.16238	0.4
458.75620	0.3
465.37454	1.3
475.36142	0.4
553.39185	0.4
599.38428	0.3
611.43256	0.5
701.42828	0.7
951.53400	0.6
965.55920	0.7
1009.54907	2.2
1010.53436	0.4
1027.55127	100.0
1028.55469	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	1027.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	19.4
72.01585	0.3
72.99193	1.7
73.02833	5.5
75.00761	7.3
76.06553	0.2
81.03321	0.3
83.01269	4.5
84.02034	0.2
85.02839	12.9
85.99979	1.3
86.03191	0.2
87.00232	0.3
87.00768	6.5
87.04403	2.0
89.02332	3.8
93.03338	0.3
95.01275	3.6
96.95891	0.6
97.02856	0.8
99.00774	10.9
99.04428	0.3
100.01093	0.2
101.02343	8.4
102.02678	0.2
103.03889	1.3
108.02070	0.3
109.02856	0.5
111.00796	0.5
112.01588	0.4
113.02356	10.5
114.02744	0.3
115.00236	0.5
115.03920	1.9
119.03400	1.4
121.02875	0.3
125.02384	1.2
127.03944	0.3
129.01880	0.4
129.65669	0.2
130.97551	0.2
131.03426	3.6
139.00305	0.4
143.03429	4.0
145.05006	0.8
151.00308	0.3
151.03961	0.2
157.01402	0.8
159.02954	0.3
161.02357	0.2
161.04475	0.7
163.06039	1.4
165.05460	0.2
205.07143	2.2
216.11401	0.2
220.80862	0.2
233.40685	0.2
245.06711	0.5
246.74301	0.2
247.08278	0.3
394.10672	0.3
395.11267	0.2
396.12350	0.3
405.31830	0.3
409.13049	0.8
411.14505	0.4
423.33093	0.3
436.15152	0.2
437.34561	0.2
439.36075	1.2
440.36536	0.2
451.17670	0.5
455.19122	0.3
465.37704	1.3
491.34821	0.3
507.38449	0.2
541.38751	0.6
553.38690	0.2
579.40894	0.2
581.34454	0.2
599.39880	0.2
611.43280	0.6
626.91577	0.2
640.21338	0.2
683.41541	0.4
701.43097	0.5
881.49548	0.3
910.39026	0.2
951.53760	0.5
965.54626	0.5
1009.54108	2.4
1010.54919	0.7
1027.55042	100.0
1028.55334	28.8
1029.55969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	0.2
77.17574	0.0
78.95765	0.1
79.95627	6.1
84.49207	0.0
84.95016	0.1
85.02833	0.1
87.00750	0.1
89.02354	0.0
94.98001	0.1
95.01263	0.1
95.97462	0.1
96.95913	100.0
97.95835	0.3
97.96368	0.0
99.00788	0.1
101.02332	0.1
105.10674	0.0
113.02383	0.1
114.93296	0.0
125.02309	0.0
137.02310	0.0
151.40196	0.0
152.01097	0.0
169.28450	0.0
230.04994	0.1
717.21716	0.1
925.51837	0.8
926.52496	0.1
963.47485	0.1
1023.49243	0.6
1024.49963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01113	19.2
71.01558	6.5
71.01806	0.7
71.52142	0.4
71.52523	0.4
72.01469	0.3
72.99035	1.5
72.99484	0.7
73.02676	4.2
73.03133	1.4
75.00600	8.1
75.01084	2.3
78.95650	0.5
79.95479	0.7
80.90495	0.3
81.03190	0.4
83.01103	10.0
83.01661	2.4
84.01956	0.4
85.02667	15.1
85.03245	3.8
85.03549	0.7
85.99827	1.0
86.03062	0.4
86.03555	0.4
87.00593	6.1
87.01187	1.4
87.04234	1.7
89.02144	2.7
89.02748	0.8
95.01095	2.6
95.01749	0.8
96.95713	6.9
96.96416	1.3
96.99097	0.3
97.02679	0.8
97.98368	0.3
98.95292	1.7
98.95973	0.7
99.00585	10.9
99.01308	1.9
99.04258	0.7
101.02145	5.2
101.02862	0.7
103.03732	1.3
111.00649	0.4
112.01426	0.5
113.02139	10.2
113.03019	1.6
115.03690	1.9
116.92548	0.5
119.03242	0.4
125.02126	2.5
127.03784	0.5
129.01674	0.4
131.03171	5.5
133.02649	0.6
135.04239	0.8
139.00089	0.6
143.03148	4.7
145.04845	0.7
149.02220	0.6
151.00160	0.5
153.01750	0.3
157.01172	0.6
159.09218	0.3
161.04318	0.8
163.05878	0.9
165.05313	0.3
179.06842	0.4
205.07123	3.0
245.06714	6.0
247.08015	0.7
255.06505	0.4
335.08875	1.1
347.09015	0.4
363.08426	0.8
364.79184	0.3
371.09515	1.1
374.61108	0.4
377.10095	0.6
379.11600	0.4
395.11249	0.7
409.12473	1.2
434.13409	1.3
435.14032	0.7
449.16183	8.0
449.33554	0.4
450.16049	1.4
453.17300	0.4
465.37521	3.4
484.95126	0.4
509.36548	0.6
511.37628	0.9
535.41229	1.6
545.13019	0.4
611.21167	0.9
625.40851	0.6
630.79669	0.4
653.22760	0.5
695.22900	0.4
882.66003	0.4
895.51184	0.5
903.51013	1.5
921.52380	100.0
922.52783	17.7
922.71588	0.8
965.51288	4.2
966.51782	0.6
1025.53540	44.6
1026.34924	0.7
1026.53967	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	1021.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	14.7
71.52478	0.3
72.99181	1.4
73.02840	3.6
75.00763	8.5
79.92170	0.2
80.16765	0.2
80.74595	0.2
81.03345	0.9
83.01277	13.1
85.02840	10.6
85.99515	0.3
86.00004	0.9
86.03192	0.3
87.00771	5.3
87.04404	1.4
89.02344	1.6
91.00704	0.2
95.01285	1.8
96.95919	6.6
97.02843	2.8
99.00775	8.9
99.04459	0.3
101.02349	2.1
103.03917	0.6
108.02070	0.3
109.02866	0.4
111.00791	0.3
113.02353	5.8
115.00274	0.2
115.03921	1.7
123.00812	0.4
125.02367	44.5
126.02705	0.7
131.03424	3.8
131.16801	0.3
135.04434	0.2
139.00371	0.3
143.03423	3.3
145.05023	0.5
157.01387	0.6
163.06091	0.6
205.07175	1.2
220.37975	0.2
247.08347	0.3
294.42194	0.2
439.35727	0.4
565.39124	1.1
635.43402	0.6
667.93390	0.3
725.42621	0.3
888.08868	0.2
895.51190	0.3
931.77649	0.3
952.31134	0.2
965.80682	0.3
1003.51843	1.3
1021.54034	100.0
1022.54279	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.486
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	0.2
73.02775	0.0
75.00776	0.1
78.95779	0.1
79.95625	5.8
83.01225	0.0
85.02846	0.1
87.00735	0.1
89.02355	0.0
95.97485	0.1
96.95912	100.0
97.95841	0.3
98.19947	0.1
99.00784	0.1
101.02380	0.1
109.02806	0.0
113.02411	0.1
114.93281	0.0
131.03445	0.1
137.02322	0.0
143.03320	0.0
343.56110	0.0
545.13098	0.0
925.51886	0.9
926.52216	0.2
963.48047	0.1
1023.48999	0.7
1024.49438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	12.8
72.99206	1.2
73.02838	4.0
75.00765	9.1
81.03352	0.7
83.01278	15.7
83.04884	0.2
84.01613	0.2
84.02063	0.2
85.02843	9.9
85.99989	1.1
86.03230	0.1
87.00770	5.3
87.04415	1.8
89.02343	1.2
95.01286	2.1
96.95907	0.1
97.02850	3.7
99.00779	9.1
99.04417	0.6
100.01129	0.2
101.02334	1.5
103.03883	0.7
107.01306	0.2
108.02110	0.1
111.00816	0.3
112.01627	0.3
113.02357	5.4
115.00310	0.3
115.03922	1.9
119.03461	0.2
125.02370	45.9
126.02695	1.3
131.03429	4.3
139.00320	0.3
143.03430	2.9
145.05028	0.5
157.01376	0.6
163.06120	0.7
189.04205	0.1
205.07137	1.6
247.08272	0.3
264.06448	0.1
439.35880	0.2
551.02130	0.2
565.39081	1.1
566.39496	0.2
635.43597	0.4
654.06781	0.2
707.40912	0.2
725.43274	0.3
895.49774	0.4
1003.53546	1.5
1004.53827	0.4
1021.54028	100.0
1022.54254	28.0
1023.52222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	17.2
71.55456	0.7
72.99199	1.9
73.02827	4.5
75.00766	9.4
81.80899	0.4
83.01287	2.6
85.02845	14.8
85.03365	0.9
85.99976	1.7
87.00777	5.8
87.04415	2.8
88.03933	0.5
89.02343	2.7
91.07217	0.4
95.01286	11.0
96.95914	1.0
97.02840	2.7
99.00779	13.2
99.04396	0.5
101.02345	2.6
103.03908	0.9
111.00788	0.9
113.02361	7.8
115.00271	0.5
115.03927	1.7
116.92754	1.6
118.56882	0.4
119.03437	0.4
121.02854	0.5
123.00805	9.2
124.16976	0.4
125.02386	3.7
131.03426	4.2
132.02962	1.2
132.81299	0.4
139.00354	0.7
141.01846	1.6
143.03455	3.7
145.04997	0.7
157.01366	1.1
158.36768	0.4
163.06120	0.7
201.15488	0.4
205.07141	1.4
224.88893	0.4
281.74008	0.5
488.60864	0.5
902.31030	0.4
943.03522	0.5
1001.51013	1.6
1019.52521	100.0
1020.52728	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	19.9
71.07298	0.2
71.07644	0.1
72.01591	0.3
72.99199	1.7
73.02833	4.8
75.00762	10.9
81.03344	0.5
83.01276	3.2
84.02061	0.2
85.02843	15.2
85.99986	1.4
86.03170	0.2
87.00771	6.0
87.04401	2.0
89.02335	2.3
93.98534	0.1
95.00832	0.1
95.01282	2.7
96.95906	0.4
97.02852	7.2
98.03204	0.2
99.00780	11.1
99.04405	0.3
100.01037	0.1
100.01600	0.2
101.02347	2.3
103.03912	0.9
107.01257	0.2
111.00810	0.5
112.01572	0.3
113.02354	7.9
114.02673	0.2
115.00278	0.2
115.03923	2.0
119.03435	0.4
120.90616	0.1
123.00786	0.4
125.02366	12.5
126.02711	0.4
129.01862	0.2
131.03424	4.8
139.00276	0.4
142.02654	0.3
143.03435	4.1
145.05009	0.7
157.01337	0.7
161.04510	0.1
162.70502	0.1
163.06062	0.8
177.11220	0.1
191.05551	0.1
205.07149	1.9
247.08151	0.3
439.36069	0.2
465.37527	0.4
565.39093	1.4
566.39337	0.2
567.40735	0.3
635.43097	0.3
681.43835	0.2
707.42041	0.2
725.43652	0.2
833.50024	0.1
878.52692	0.1
921.52374	0.2
1003.52771	1.6
1004.53345	0.3
1021.53973	100.0
1022.54224	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	1019.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67596	0.4
70.67929	1.0
71.01267	16.3
72.99199	1.7
73.02834	4.4
75.00759	8.8
81.03342	0.4
83.01270	2.6
85.02837	12.8
85.99965	1.1
87.00773	5.0
87.04385	1.5
88.43785	0.4
89.02335	2.1
93.03342	0.7
95.01280	14.9
96.95911	1.7
97.02839	1.2
99.00775	12.8
101.02358	2.5
103.03909	0.9
108.02118	0.8
109.02856	0.7
111.00770	0.8
113.02356	7.3
115.00280	0.4
115.03927	1.6
119.03362	0.7
121.02880	0.5
123.00792	13.4
125.02358	2.9
131.03438	4.6
135.04419	1.0
137.02379	1.3
141.01840	3.2
143.03413	3.4
151.00333	0.5
152.01115	0.5
157.01360	0.8
163.06094	0.6
163.42807	0.4
177.01920	0.5
205.07190	1.0
285.04016	0.7
315.07114	0.5
327.21747	0.6
328.22278	0.4
335.09436	0.6
364.82413	0.4
395.11447	0.5
396.11957	0.5
417.91342	0.5
419.05481	0.4
860.12250	0.5
1001.50909	1.7
1002.51697	0.7
1019.52441	100.0
1020.52795	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.453
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01277	2.5
71.04883	0.4
71.52281	0.3
72.99197	0.3
73.02839	0.3
73.86456	0.2
78.95778	0.4
81.03352	0.4
83.01287	1.4
83.04925	0.7
85.02841	3.1
87.00760	0.5
89.02327	0.8
93.03349	0.6
93.97423	0.2
95.01266	0.5
95.04932	0.9
96.95927	1.1
97.02867	0.7
97.06490	3.3
99.00777	0.6
101.02364	1.1
107.01296	3.5
107.04932	0.3
108.02108	1.1
109.02842	0.6
109.06487	0.4
111.04406	0.3
113.02329	0.9
116.27753	0.2
117.03386	0.2
119.04930	1.0
121.02845	0.6
123.00798	0.4
123.04434	0.6
123.08089	0.3
124.01556	0.4
125.02369	4.2
125.09669	1.1
127.11202	1.0
130.08633	0.6
133.02881	0.7
133.87192	0.2
134.03670	3.0
135.04453	4.0
136.01584	1.2
137.02370	0.7
137.09645	0.3
145.02884	0.4
147.04445	0.4
149.02385	0.5
150.03140	0.3
151.00314	12.4
151.03914	0.5
151.11317	0.3
152.00902	0.4
153.01886	0.5
155.04944	0.4
155.10706	0.6
155.14282	0.5
155.58731	0.2
160.01631	0.3
160.03934	0.2
161.02394	1.2
161.04486	0.4
163.00243	0.2
163.11151	0.3
164.01100	2.1
164.04738	0.2
165.01886	2.0
165.05533	0.2
165.12793	0.8
166.02638	0.3
167.03412	0.3
167.14372	0.5
169.01437	0.3
171.10217	6.3
171.84665	0.2
172.10571	0.3
174.03191	0.6
175.00334	0.5
175.03944	0.7
175.11203	0.4
177.01889	1.5
177.12790	0.9
181.12279	0.5
183.13857	3.3
184.14148	0.2
185.11823	1.1
187.03938	0.4
188.04706	0.3
190.02713	0.3
193.01399	0.6
193.04999	0.3
193.12314	1.1
195.04453	0.3
196.00130	2.4
197.06042	0.3
197.11835	0.7
198.03178	0.4
199.03946	2.0
199.13353	0.3
200.04509	0.3
201.01918	1.0
203.10782	0.8
205.05058	0.4
207.10524	0.3
209.08267	0.2
209.11871	1.7
211.03993	0.3
211.13388	19.9
212.13661	1.1
213.05537	0.4
213.09207	0.3
215.03510	0.9
215.07016	0.3
216.04256	0.2
217.04916	0.5
221.11868	3.1
222.12115	0.3
222.94878	0.2
223.04106	1.2
223.05986	0.3
224.04659	0.6
227.03590	0.2
227.12886	0.4
229.05278	0.2
229.14459	13.8
230.14806	0.6
235.02420	0.5
239.07201	0.2
239.12910	2.5
240.04298	1.0
240.13313	0.2
241.05138	1.7
242.05759	0.4
244.31342	0.2
247.20737	0.4
257.04590	1.1
258.05304	0.4
267.03113	0.3
268.03821	0.5
269.04568	0.8
271.06348	1.3
271.08917	0.3
284.03372	1.6
285.04120	8.3
286.04788	2.6
287.05637	2.3
288.05988	0.3
291.19788	2.6
293.04514	0.3
309.20633	0.6
327.21829	100.0
328.22189	8.1
329.07050	0.2
339.08310	0.3
353.10291	0.3
365.10425	0.4
383.11337	0.7
425.08890	0.3
459.11752	0.9
475.14749	0.5
485.13272	0.8
545.13062	0.3
549.16327	0.8
550.17371	0.4
579.17230	0.6
593.15387	3.8
594.16046	23.5
595.16333	3.1
673.21466	1.2
691.22583	13.0
692.22766	2.2
857.32867	0.3
872.70642	0.2
937.33545	0.2
975.37738	1.1
976.38116	0.4
1019.33691	0.4
1019.51154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	1.5
72.99187	0.2
73.02830	0.4
75.00767	0.8
83.01271	0.3
85.02836	1.2
86.51413	0.1
87.00770	0.6
87.04414	0.2
88.98697	100.0
89.02336	0.6
89.99042	1.0
95.01269	0.4
99.00776	0.9
99.04391	0.2
101.02350	1.4
103.03908	0.3
113.02364	0.9
115.03902	0.2
119.03429	0.2
125.02371	0.2
131.03410	0.3
143.03419	0.7
145.04866	0.2
149.06026	0.1
150.36777	0.2
157.01376	0.1
161.04488	0.3
163.06108	0.4
163.07571	0.2
165.05521	0.3
165.26793	0.1
192.52510	0.1
205.07196	0.5
267.79907	0.2
439.35886	0.3
509.40018	0.4
616.86304	0.2
623.38568	0.2
827.43561	0.2
925.51868	21.3
926.52173	6.1
927.52362	1.1
971.52197	0.3
1015.51117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	2.5
71.27308	0.4
71.69665	0.3
72.64583	0.2
72.99191	0.3
73.02844	0.5
75.00770	0.8
83.01285	0.7
85.02843	1.5
87.00777	0.7
87.04456	0.2
88.98697	100.0
89.02347	0.5
89.99044	0.9
92.12457	0.2
95.01258	0.6
96.95924	1.1
97.63080	0.2
99.00793	1.1
101.02357	1.3
103.03852	0.2
113.02338	1.3
115.03927	0.3
119.79198	0.2
125.02357	0.3
125.89097	0.2
131.03389	0.6
143.03412	0.6
205.07095	0.5
395.11581	0.2
439.35678	0.3
465.69241	0.2
703.85864	0.2
925.51868	27.7
926.52148	6.7
927.52307	1.0
954.47748	0.3
1015.39105	0.3
1015.53430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	9.2
71.23244	0.9
72.99197	0.7
73.02818	2.3
75.00762	0.7
81.03358	1.6
83.01275	10.0
85.02846	4.0
87.00779	1.3
88.98724	0.8
89.02342	2.9
93.03360	6.7
95.01313	1.1
96.95909	3.2
97.02873	1.0
99.00790	1.0
99.04428	0.5
101.02333	4.9
107.01294	26.5
108.02086	2.1
109.02875	2.3
111.00824	0.4
111.04415	0.6
111.93703	0.4
113.02363	4.0
115.03933	0.5
116.92768	1.1
117.03344	2.5
119.04941	38.0
120.05292	1.5
121.02864	1.2
123.04482	0.7
124.01609	0.6
125.02364	14.4
131.01295	0.6
133.02902	0.7
134.03653	1.3
135.04459	2.6
136.01582	1.0
137.02400	2.2
143.03421	0.9
143.04958	1.1
145.02896	5.4
149.02379	2.9
149.04449	0.5
150.03192	1.0
151.00307	100.0
151.03926	1.5
152.00769	2.7
153.01891	1.4
160.03967	0.6
161.02361	2.0
161.04468	1.5
161.05931	1.1
162.08691	0.4
163.00343	0.5
163.03951	1.0
164.01149	0.8
164.04677	0.6
165.01877	4.7
165.05473	1.0
166.02663	2.3
167.03413	1.3
169.01404	3.4
174.01657	0.6
175.00316	2.4
175.03906	0.7
177.01872	9.3
179.03464	0.8
179.05574	1.0
179.07080	0.5
181.05063	3.4
185.06078	2.0
187.03973	3.0
190.02631	0.5
191.03345	0.5
193.01384	2.3
193.05057	0.6
194.05745	0.6
195.06606	0.8
196.00180	0.7
201.05478	0.4
205.01457	0.9
205.05026	0.9
207.02948	0.5
209.04369	0.6
209.08124	0.7
223.06133	0.6
227.07098	2.8
229.03394	1.0
229.05338	0.7
235.02481	2.3
253.05084	1.3
269.04626	3.3
271.06171	60.3
272.06519	3.7
283.06085	0.5
284.03290	0.6
285.04083	1.8
287.05649	1.5
289.09143	0.6
295.06082	0.8
299.05499	0.6
313.07193	2.6
315.07288	0.8
339.07288	1.9
339.12503	1.0
349.22876	0.5
357.08429	0.5
371.20792	0.8
373.09164	0.6
383.11609	0.6
387.10831	1.0
417.16156	2.4
418.64111	0.5
425.08737	0.5
437.18396	0.9
439.19904	3.6
459.11664	7.1
579.17267	70.2
580.17584	7.9
581.18713	0.7
603.17285	3.6
621.18445	0.6
633.25793	0.7
647.16260	35.9
648.16315	4.9
651.26672	0.6
753.31409	2.5
855.32947	1.3
975.38831	44.1
976.39038	7.8
1019.36481	5.5
1020.38220	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	1011.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	20.1
71.55356	0.2
72.42870	0.2
72.99203	1.9
73.02837	5.2
75.00761	9.3
83.00805	0.2
83.01273	2.8
85.02843	16.6
85.99994	1.4
86.03141	0.2
87.00771	5.8
87.04417	1.8
88.58817	0.2
89.02333	2.2
91.59045	0.2
95.00706	0.3
95.01278	2.4
96.95927	0.4
97.02850	0.5
98.90714	0.2
99.00778	10.0
100.79079	0.2
101.02351	2.6
103.03924	0.9
103.52471	0.2
111.00783	0.5
112.01574	0.3
113.02356	6.7
115.00267	0.3
115.03916	1.6
119.03445	0.2
125.02322	0.3
127.03892	0.2
131.02477	0.3
131.03427	4.9
139.00246	0.3
143.03439	3.2
145.04982	0.5
157.01337	0.5
163.06068	0.9
175.00465	0.2
185.61330	0.2
205.07147	1.7
205.66022	0.2
366.45309	0.2
392.77292	0.2
524.93396	0.2
555.40649	2.5
555.48651	0.3
556.40814	0.3
625.44714	0.5
626.45477	0.2
715.44336	0.3
993.54553	1.6
994.55505	0.3
1011.55566	100.0
1012.55798	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	1011.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	1.7
72.99197	0.3
73.02824	0.4
75.00759	0.2
79.01751	0.2
81.03371	0.2
83.01273	2.5
85.02859	0.8
87.00777	0.3
89.02337	0.6
93.03361	0.4
95.01285	0.3
96.95917	0.7
97.02876	0.8
99.00770	0.4
99.04427	0.8
101.02343	1.5
104.90891	0.1
106.36181	0.1
107.04932	0.3
108.02035	0.2
109.02864	0.5
113.02356	1.0
119.03409	0.3
121.02888	0.7
123.00787	0.2
123.04452	0.3
125.02367	3.8
131.03464	0.2
133.02875	0.5
135.04456	0.4
137.02348	0.2
139.03906	0.4
143.03429	0.3
147.04489	0.2
148.01598	1.6
149.02382	1.5
150.02916	0.1
151.00325	0.2
151.03903	0.2
157.06459	0.2
159.04448	0.2
161.02318	0.2
161.04504	0.7
163.07690	0.3
165.05592	0.2
167.03447	0.2
171.08121	0.2
175.03947	0.3
177.01837	0.4
184.05321	0.2
185.05984	0.3
187.07613	0.3
197.06052	0.2
199.03938	0.1
202.06430	0.2
203.07184	0.2
209.06035	0.2
211.04004	0.2
211.07625	0.2
213.05588	0.5
215.03554	0.8
215.07050	0.4
221.09703	0.2
225.05528	0.2
227.07191	0.4
228.04259	0.2
229.05188	0.7
231.06584	0.3
237.05560	0.4
239.07172	0.5
241.05029	1.1
245.04366	0.2
245.06696	2.9
253.05148	0.3
255.06645	4.3
256.07397	1.8
257.04578	0.1
257.08124	0.5
257.11807	0.4
260.08441	0.1
269.04541	0.2
269.08359	0.2
273.09021	0.1
275.10901	0.2
277.08813	0.4
279.10358	0.2
281.04614	0.2
281.08176	0.1
285.03970	0.2
287.07895	0.3
291.07065	0.2
291.10388	0.6
293.04614	0.2
293.08136	0.2
303.10394	0.3
305.08453	0.6
306.09021	0.3
307.06427	0.2
307.09787	0.5
308.10443	0.2
309.04355	0.2
309.08087	0.1
309.11438	0.5
317.08298	0.2
318.09116	0.2
319.09744	1.6
320.10483	0.5
321.04315	0.2
321.07715	0.7
321.11432	0.5
322.04861	0.3
322.08325	0.2
323.05734	1.1
326.11490	0.2
332.06946	0.2
335.05661	0.4
335.09280	1.1
336.09985	0.4
337.10889	1.9
338.11218	0.2
345.07880	0.3
346.08405	0.5
347.09283	2.0
348.09793	0.2
349.07272	1.5
349.11047	0.1
350.07990	0.9
361.11215	0.2
363.08823	5.3
364.04846	0.3
364.09552	8.0
365.10342	8.4
366.10654	0.8
371.09937	1.2
377.10535	0.3
389.14032	0.2
391.11740	0.3
393.09927	0.2
394.10632	0.5
395.11270	1.2
396.08395	1.4
407.14975	0.5
409.12949	1.8
410.13824	0.2
413.10983	0.2
417.13516	0.9
419.11606	0.3
431.12164	0.4
433.12878	0.6
434.13693	0.5
435.14551	100.0
436.14902	10.5
439.19894	0.9
463.34515	0.2
477.15424	0.4
557.16998	0.3
571.18231	0.2
579.18842	3.3
580.18921	0.3
597.19879	15.0
598.20428	1.9
639.20941	10.2
640.21295	1.6
679.23254	0.2
681.21985	2.0
682.22052	0.3
723.22949	1.1
783.23785	0.2
825.26752	0.2
885.28503	1.5
886.27307	0.2
937.48419	0.5
995.52649	0.6
996.52991	0.2
1011.31781	2.1
1011.52930	0.6
1012.32684	0.4
1027.53809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.243
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01292	0.3
75.00752	0.2
79.01779	0.3
91.05434	0.3
93.03371	0.7
101.02327	0.4
107.01290	0.3
107.04932	0.2
108.01993	0.2
109.02880	0.4
117.03378	2.9
119.04933	0.5
121.02887	0.3
123.04439	0.2
125.02326	0.3
131.04935	0.2
133.02908	1.1
135.04445	1.1
137.02364	0.4
145.02846	0.2
147.04433	0.4
149.02373	0.6
152.56361	0.2
158.68178	0.2
159.04457	0.3
161.02373	1.5
161.06039	0.2
163.00362	0.3
163.03955	1.2
164.05861	0.2
165.01808	0.2
173.02435	0.2
174.21468	0.2
175.03975	1.4
176.01099	0.2
177.01895	0.3
177.05505	0.4
179.03430	0.4
187.03986	0.3
189.01859	0.3
189.05463	0.3
191.03450	1.2
197.06064	0.3
199.04027	0.3
201.01913	0.2
203.03621	0.9
205.01207	0.3
205.05058	0.5
215.03519	0.3
217.05025	0.5
221.04549	0.4
223.07611	0.3
225.05569	0.4
227.07094	0.3
233.04605	0.5
239.03198	0.3
240.04295	0.2
241.05081	0.2
243.06537	0.2
245.04637	0.2
251.07330	0.3
253.05026	0.3
253.08749	0.2
267.06659	0.4
268.07513	0.5
269.04803	0.4
269.07971	0.2
279.06549	0.4
281.04547	0.6
282.05432	1.4
283.06073	2.1
284.03342	1.2
284.06396	0.3
285.04184	1.1
293.04971	0.2
293.08380	0.3
294.05399	0.4
295.06186	2.8
296.06815	1.6
297.04141	2.0
297.07669	13.0
298.04797	1.1
298.08179	0.8
299.05615	2.4
306.05420	0.2
307.06219	1.4
308.06705	0.2
309.07687	1.4
311.05606	2.4
314.04218	0.4
323.05643	2.1
324.06268	0.5
325.03479	0.3
325.07248	4.8
326.07648	0.3
327.05170	9.7
328.05917	2.5
330.95728	0.2
335.05917	1.2
337.07251	2.1
339.05063	0.6
339.08786	0.2
341.06552	0.5
349.06860	0.3
351.05124	0.7
353.06741	27.6
354.07108	1.9
355.08334	0.6
356.05530	0.6
357.06235	2.4
365.06693	3.1
366.07007	0.2
377.06766	0.3
379.08615	0.2
381.06262	0.4
383.07785	17.0
384.08041	1.2
395.07758	1.9
396.08115	0.3
397.09406	0.4
407.07681	0.5
413.08823	2.3
414.09055	0.2
414.93640	0.2
419.07773	0.2
425.08823	1.0
437.08804	0.4
443.09912	9.6
444.10251	0.8
447.09418	8.0
447.14594	0.1
448.09863	0.5
449.09521	0.2
455.09659	0.9
473.10983	6.0
474.11026	0.5
485.10959	0.7
503.11758	0.5
515.12201	0.4
545.13269	0.7
563.14185	100.0
564.14557	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	1009.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85265	0.2
70.85625	0.4
71.01270	26.3
72.01604	0.3
72.99195	2.2
73.02835	7.1
75.00764	11.4
79.62911	0.1
83.01280	3.9
84.01609	0.1
84.02070	0.3
85.02843	20.9
85.99990	1.9
86.03174	0.3
87.00771	7.4
87.04416	2.1
89.02334	3.1
89.38742	0.2
95.01285	2.9
96.95914	0.7
97.02874	0.6
99.00780	14.2
99.04443	0.2
101.02347	3.1
103.03905	1.3
108.02101	0.2
109.02863	0.2
111.00790	0.6
112.01577	0.5
113.02358	9.7
114.02650	0.2
115.00313	0.5
115.03932	2.8
119.03435	0.4
121.02888	0.3
124.01642	0.2
125.02351	0.7
129.01863	0.2
131.03424	5.8
137.02390	0.2
137.06044	0.3
139.00291	0.5
143.03444	4.2
145.05011	0.8
157.01352	1.1
161.04439	0.2
163.06078	1.0
165.05511	0.4
180.60936	0.2
205.07161	2.1
209.11768	0.2
237.81920	0.2
247.08305	0.3
247.71274	0.2
271.06274	0.2
316.57581	0.2
395.11917	0.2
479.34009	0.2
507.34958	0.2
509.32748	2.8
510.32657	0.3
511.34305	0.4
537.35992	0.2
570.57593	0.2
579.37152	0.8
669.36572	0.5
903.47021	0.2
923.46234	1.0
924.47253	0.3
947.46527	1.5
948.46527	0.3
965.47687	100.0
966.48029	20.6
1009.46814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01268	0.6
72.99184	0.1
73.02822	0.1
75.00777	0.2
78.34775	0.1
78.95800	0.2
79.95626	5.4
83.01279	0.3
85.02829	0.5
87.00777	0.1
88.98651	0.1
89.02354	0.2
93.03322	0.1
95.01280	0.1
96.95912	100.0
97.95826	0.2
98.19731	0.1
99.00787	0.2
101.02317	0.4
108.02113	0.2
109.02872	0.1
113.02388	0.4
117.03352	0.1
119.04951	0.2
121.02833	0.1
125.02348	0.3
135.04472	0.2
137.02370	0.2
137.05980	0.2
149.02376	0.1
150.03185	0.1
151.00314	0.2
151.03951	0.1
152.01111	0.2
153.01952	0.1
153.05479	0.2
161.04465	0.1
163.03926	0.2
164.04762	0.1
165.05472	0.3
178.06317	0.1
181.04968	0.1
193.08681	0.2
209.08365	0.1
269.04544	0.2
353.14648	0.2
403.17886	0.1
405.12799	0.1
643.39642	0.1
911.50287	0.9
912.50299	0.3
1009.46082	0.6
1010.47742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	24.8
71.53446	0.8
71.53803	0.8
72.99192	0.8
73.02847	3.2
75.00764	10.1
76.31374	0.7
83.01266	4.0
85.02847	15.9
85.24858	0.6
87.00793	2.1
89.02334	4.5
95.01287	2.9
96.95909	1.5
97.02856	7.3
99.00784	10.1
101.02351	2.8
113.02362	9.2
125.02374	13.5
127.50336	0.7
131.03412	9.9
191.05629	4.5
341.74115	0.6
345.17255	0.6
465.37100	0.8
565.39777	0.9
962.19653	0.8
984.07526	0.7
989.51953	1.5
1007.52515	100.0
1008.52722	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	1007.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01261	0.3
72.07275	0.1
75.00761	0.1
78.95789	0.1
79.95624	5.2
83.01276	0.1
83.32529	0.1
85.02838	0.2
87.00757	0.1
89.02346	0.1
93.03339	0.1
94.97957	0.1
95.01244	0.1
96.95911	100.0
97.95853	0.2
99.00780	0.2
101.02341	0.2
107.01313	0.1
108.02077	0.1
109.02843	0.1
113.02341	0.2
113.37277	0.1
119.03435	0.1
119.04960	0.1
123.86397	0.1
125.02340	0.3
135.04428	0.2
137.02303	0.1
149.02321	0.1
149.06102	0.1
151.00288	0.3
151.03922	0.1
152.01097	0.1
160.06303	0.1
161.02380	0.1
161.07176	0.3
163.03984	0.1
175.08801	0.1
187.03964	0.1
189.06650	0.3
203.08282	0.1
205.04965	0.1
209.19971	0.1
229.09764	0.1
229.28716	0.1
253.04939	0.1
269.04733	0.2
271.06302	0.2
305.11514	0.3
323.12518	0.2
365.10150	0.1
377.10382	0.1
395.11429	2.2
396.11920	0.3
396.82483	0.1
488.70700	0.1
557.16779	0.6
579.17474	0.1
599.18024	0.3
616.99304	0.1
641.19189	0.1
649.96912	0.1
909.48761	0.9
910.50092	0.2
1007.47052	0.5
1008.44598	0.1
1038.32971	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	1004.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02471	1.5
71.01271	14.9
72.99202	1.9
73.02840	3.0
75.00766	5.1
81.03375	0.6
83.01276	2.9
85.02844	8.9
85.99992	0.6
86.03165	0.3
87.00762	4.5
87.04415	1.0
89.02334	3.9
93.03357	0.5
95.01270	2.2
96.95923	1.8
97.02853	0.6
99.00778	6.8
101.02348	7.6
103.03918	1.5
109.02860	0.6
111.00803	0.5
113.02361	6.0
115.00250	0.5
115.03944	2.0
119.03454	1.4
119.04941	0.9
121.02859	0.4
123.04460	0.5
125.02361	1.1
127.03937	0.3
131.03430	3.2
135.04434	0.5
137.05998	0.8
139.00287	0.4
143.03418	3.7
145.04980	0.7
147.98909	0.2
149.02356	0.4
149.05928	0.4
151.03931	0.6
152.01094	0.3
154.51247	0.3
157.01442	0.4
160.03967	0.3
161.02432	0.4
161.04486	1.0
163.04022	0.4
163.06052	1.4
164.04660	0.3
165.01756	0.4
165.05505	0.9
165.91858	0.3
181.04990	0.3
205.07135	2.4
223.06018	0.3
239.27701	0.3
251.03760	0.3
274.56470	0.3
279.11926	0.3
283.06189	0.3
287.22443	0.5
312.06039	0.3
342.07370	0.4
412.11777	0.4
426.12988	0.4
427.14099	0.5
455.35294	1.8
456.36124	0.3
457.36935	1.0
525.39270	1.8
530.83978	0.3
615.39496	0.6
831.35730	0.4
923.49811	0.5
939.45905	1.1
940.44965	0.8
941.51300	100.0
942.51569	20.8
1004.30786	2.1
1004.50079	0.7
1005.33148	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	1003.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97906	0.4
70.98213	0.3
71.01267	6.4
73.02821	1.1
73.11614	0.3
75.00748	0.4
81.03344	0.5
83.01273	11.8
85.02847	2.2
87.00742	0.8
89.02338	1.2
93.03351	0.8
95.01266	0.9
96.95899	1.4
97.02871	2.7
99.00761	1.0
99.04408	0.4
101.02348	4.4
108.02074	0.9
113.02356	2.4
119.01338	0.4
119.03397	0.3
119.04926	1.1
121.02880	1.0
123.04446	0.5
124.01564	0.3
125.02370	9.2
131.03439	0.4
132.02060	0.4
132.81139	0.3
133.02869	0.6
134.58896	0.3
135.04433	0.9
136.01601	0.5
137.02347	0.9
137.06041	1.8
139.03841	0.4
143.03473	0.6
145.02856	0.7
147.04401	0.5
148.01579	1.9
149.02373	1.0
150.03162	0.9
151.03915	1.1
152.01057	0.5
153.01657	0.3
160.01620	0.4
160.03984	0.8
161.02449	0.6
161.04530	1.6
161.05768	0.3
163.03923	0.8
164.04703	0.4
165.01912	0.4
165.05527	3.2
167.03362	0.4
174.03123	2.3
175.03909	0.8
177.01872	0.6
180.04227	0.5
181.04965	0.5
183.13806	0.6
185.06010	0.4
186.03207	0.7
189.01883	0.4
190.02792	0.4
191.03496	0.7
193.04985	0.7
195.06491	0.5
202.02699	5.8
203.03366	0.9
204.04208	0.4
205.04967	0.4
207.02946	0.6
214.02621	2.0
215.03552	0.4
215.06963	0.3
217.08539	0.5
232.03880	0.8
235.09743	0.4
237.05656	0.5
238.06297	0.5
239.07124	0.8
240.07845	0.4
241.05193	0.5
245.06755	0.6
249.05675	0.4
250.06339	0.5
252.07863	0.5
253.05058	0.9
254.05846	0.7
255.06581	0.9
265.05081	0.4
266.05811	1.4
267.03049	0.9
267.06686	1.8
268.04092	0.4
268.07312	1.0
269.04578	1.8
269.08145	0.8
271.06174	0.4
278.05725	0.5
280.07401	0.7
281.04611	1.7
281.07687	0.3
282.05341	1.7
282.08203	0.4
283.06201	5.8
284.06696	0.8
285.07578	0.4
293.04645	0.6
294.05432	1.1
295.02551	1.8
295.06146	7.3
296.03577	0.5
296.06778	2.2
297.04092	1.5
297.07718	4.8
298.08298	0.5
299.05670	1.3
307.06140	1.1
308.06967	0.6
309.04071	2.2
309.07767	2.5
310.04840	1.9
311.05655	4.7
312.06454	6.3
313.07208	11.9
314.07617	1.1
323.05685	3.1
324.06424	3.9
325.07242	10.3
325.10605	0.3
326.07956	4.1
327.05023	0.8
327.08749	3.7
335.09390	0.4
337.07269	6.6
338.07809	2.2
339.08701	2.2
340.05887	1.7
341.06738	9.3
342.03778	0.5
342.07523	6.3
343.08228	0.8
351.08667	0.5
353.06482	0.4
353.10281	0.7
355.08282	9.2
356.05344	0.5
356.09070	5.1
357.09824	5.1
363.08835	0.4
365.10361	2.3
366.10849	0.4
367.08173	1.4
367.12134	0.6
376.09717	0.5
377.10403	0.5
378.11115	0.5
379.11801	0.8
381.09811	0.6
382.10654	0.7
383.11407	7.0
384.11890	0.9
385.09097	0.5
393.09833	1.3
394.10669	2.1
395.11224	0.9
396.12079	1.1
397.13040	3.0
401.14734	0.5
407.11328	1.3
408.12222	1.0
409.13104	2.4
411.10910	12.6
412.11688	25.8
413.12112	2.7
425.07510	0.6
425.12579	7.1
426.13275	8.2
427.14044	27.1
428.14294	3.3
428.36658	0.4
501.13965	0.4
511.16299	0.4
519.15204	2.8
520.13605	0.4
561.16406	1.2
562.13574	1.0
563.13788	0.3
571.17938	0.7
589.19409	11.7
590.20142	1.8
613.19452	0.4
631.20416	7.5
632.20483	0.6
641.39337	1.6
642.39758	0.6
673.21564	5.0
674.22144	0.4
803.44678	1.9
804.44794	1.0
805.45325	0.9
877.27856	3.6
878.28094	0.7
965.48187	0.5
985.30121	0.4
1003.31024	100.0
1004.31396	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74078	0.4
71.01266	15.2
72.99199	1.9
73.02833	3.4
75.00764	5.6
81.03322	0.4
81.26501	0.2
83.01273	2.5
85.02841	8.9
85.99979	0.9
87.00768	4.1
87.04395	1.3
88.98698	0.3
89.02330	4.4
89.02842	0.4
95.01283	2.3
95.04941	0.2
96.95932	1.6
97.02853	0.6
98.92049	0.2
99.00784	6.4
99.01437	0.3
99.02171	0.2
99.04432	0.4
101.02340	7.6
101.03012	0.4
101.90472	0.2
103.03923	1.4
103.04523	0.2
109.02834	0.3
110.89586	0.2
111.00798	0.3
112.01546	0.3
113.02349	7.0
114.02619	0.2
115.00280	0.3
115.03938	1.5
116.66842	0.2
116.92731	0.5
119.03408	1.2
119.04940	0.5
125.02359	0.8
127.03923	0.4
131.03427	3.1
135.04495	0.3
137.02357	0.4
137.06047	0.3
139.00336	0.4
143.03439	4.3
145.02850	0.2
145.04976	0.7
149.02417	0.3
151.00340	0.5
151.03865	0.3
152.01045	0.2
157.01372	0.6
161.04492	1.6
163.06085	1.5
165.01924	0.3
165.05519	0.4
173.02209	0.2
174.68312	0.2
181.05026	0.2
205.05203	0.4
205.07123	3.4
217.17622	0.2
269.04694	0.3
271.06339	0.4
279.52695	0.2
306.07703	0.2
453.33902	2.1
455.35730	0.2
523.37994	2.7
524.38763	0.4
545.12726	0.3
551.37036	0.3
567.37177	0.4
579.17493	0.3
613.37195	0.3
617.40894	0.2
779.46045	0.5
780.46539	0.8
834.23993	0.3
921.48376	0.5
939.49792	100.0
940.50073	21.0
1002.48816	0.8
1003.43732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	18.1
71.52048	0.5
72.99186	1.6
73.02833	5.3
75.00761	6.2
81.03348	0.6
81.27215	0.3
83.01281	3.2
85.02837	11.1
85.99959	0.8
87.00763	4.9
87.04397	1.4
88.98687	0.4
89.02328	4.3
89.04604	0.3
92.53219	0.4
93.03361	0.6
95.01289	2.5
96.95892	1.8
97.02877	0.6
99.00777	6.9
99.04421	0.5
101.01705	0.7
101.02345	9.5
103.03899	1.0
108.02058	1.1
109.02839	1.2
111.00758	0.8
111.04428	0.4
112.01526	0.5
113.02363	8.7
115.00314	0.4
115.03912	1.9
119.03398	1.0
119.04968	0.5
121.02884	0.7
123.04459	0.5
125.02361	3.3
127.03864	0.5
129.01822	0.4
131.03444	3.5
131.30943	0.3
135.04413	1.5
137.02380	0.7
139.00246	0.7
139.03925	0.3
141.01854	0.4
143.03430	3.5
145.02902	0.6
145.05003	0.7
149.02322	0.8
149.05991	0.3
151.00336	0.5
152.01109	0.8
153.01849	0.6
154.76411	0.3
157.01355	1.0
161.02318	0.7
161.04471	1.1
163.03937	0.6
163.06044	1.1
165.01834	0.5
165.05540	0.5
177.01875	0.7
205.05177	0.5
205.07071	3.0
207.00139	0.3
213.09538	0.5
253.04808	0.4
269.04578	0.4
271.06128	0.6
287.05646	0.8
295.06369	0.4
309.03760	0.3
315.07645	0.5
351.08456	0.4
366.10828	0.4
395.11050	0.5
425.02982	0.4
453.33954	2.5
454.34033	0.4
523.37799	2.2
524.38824	0.4
567.36957	0.8
613.37134	0.4
615.20959	0.7
661.04108	0.4
780.46210	0.4
793.41162	0.4
921.47357	0.9
939.49786	100.0
940.50067	19.4
945.82422	0.4
1002.31512	0.6
1002.50659	0.9
1003.38995	0.5
1029.00659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71619	0.4
70.71944	0.6
71.01271	14.3
72.99203	0.6
73.02840	3.5
75.00784	0.6
78.95820	0.3
81.03347	1.2
83.01276	100.0
84.01614	2.2
85.02840	8.8
87.00767	1.2
89.02321	0.9
93.03358	1.0
95.01268	1.9
95.04951	0.6
96.95909	2.9
97.02855	5.8
99.00774	2.4
99.04405	3.8
101.02347	34.7
101.67957	0.3
107.01288	0.6
107.04872	0.4
108.02077	0.9
108.30479	0.3
109.02869	1.1
111.00803	0.7
111.04430	1.0
113.02354	14.3
114.02690	0.5
115.00238	0.3
116.92816	0.5
119.01280	0.5
119.03445	0.3
119.04935	0.9
121.02863	0.9
123.04439	1.3
125.02367	26.0
126.02690	0.6
131.03410	1.1
132.02031	0.6
133.02881	0.7
134.03612	0.6
135.04477	1.9
137.02368	0.7
142.02655	0.8
143.03445	5.4
145.02892	0.6
147.04420	0.7
148.01582	0.9
149.02383	1.2
149.06001	0.5
150.03181	0.6
151.00285	1.1
151.03940	0.8
152.01088	0.9
153.01901	0.6
153.05539	2.7
155.03423	1.1
159.02919	1.2
160.03979	1.3
161.02351	0.9
161.04501	13.0
161.66310	0.3
163.04028	0.5
164.04785	0.7
165.01817	0.4
165.05455	0.8
166.02715	0.6
167.03456	3.3
175.00279	0.4
179.03401	0.6
179.07181	0.3
181.04985	0.8
185.04500	0.5
191.03506	0.5
193.05000	0.5
195.06647	0.7
199.32362	0.4
201.01973	0.5
201.05641	0.4
202.02719	0.7
203.03621	0.6
203.05617	1.4
215.03426	0.9
223.06107	0.5
225.05701	0.4
227.03525	0.4
227.05574	4.0
231.06544	0.4
233.08037	0.4
245.06689	68.8
246.07005	3.1
251.07271	0.5
253.05051	0.6
267.06918	0.5
269.04248	0.6
269.07040	1.7
279.06677	0.7
281.04749	0.6
282.05380	0.7
285.04083	0.6
287.07874	2.8
293.04730	0.4
295.02930	0.5
295.06180	1.3
296.06940	0.8
297.07697	0.6
299.05585	0.4
305.08426	0.5
307.06226	2.8
308.06830	0.7
309.04163	1.2
309.07596	0.6
310.04861	0.6
311.05618	0.6
312.06332	0.7
313.07224	0.6
315.07465	0.6
317.08600	0.4
319.06406	1.5
319.09866	0.4
320.06564	0.4
322.04822	0.4
323.05789	3.1
323.09161	0.6
324.06281	1.2
325.07263	2.5
326.08078	0.5
327.04895	0.5
329.09033	0.6
335.05646	2.2
335.09280	1.0
336.10211	0.7
337.07175	2.3
337.10748	0.6
338.07904	0.6
340.05820	0.6
346.08295	0.5
347.09375	0.7
348.10345	0.5
349.07291	0.4
349.11011	0.5
351.08902	1.6
352.09460	0.5
353.06680	3.3
353.10446	1.1
354.07239	0.5
363.08951	2.2
364.09717	1.2
365.10397	3.7
366.10977	1.1
367.08270	1.1
368.08908	0.6
371.09906	14.8
372.04898	1.2
372.10132	1.0
376.09674	1.7
377.10281	1.8
379.08234	0.9
380.08997	1.5
381.09863	6.2
382.10526	2.9
391.08307	1.0
392.09113	1.7
393.09952	2.7
394.05521	0.5
394.10645	8.3
395.11346	6.7
396.11929	1.0
397.12946	1.1
405.09760	1.4
406.10425	0.6
407.11301	2.1
409.09384	7.1
410.10129	11.8
411.10718	1.4
413.10962	1.2
423.10992	4.7
424.11768	4.8
425.12524	77.3
426.12729	7.0
431.11807	0.5
449.12952	0.4
467.13226	0.5
539.15637	0.4
569.16821	2.6
587.17853	18.6
588.18011	2.3
627.21216	0.5
629.18793	10.0
630.18854	1.5
669.21802	0.6
671.20026	7.7
672.20465	1.2
713.20801	3.9
714.21997	0.5
731.22247	0.7
875.26276	1.2
1001.28326	3.9
1002.30109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	15.1
71.52380	0.8
72.99200	1.8
73.02834	3.6
75.00764	6.3
77.50882	0.7
83.01265	3.0
85.02835	11.6
85.99994	1.1
87.00771	4.4
87.04389	0.9
89.02332	4.3
95.01275	3.1
96.95899	2.4
99.00780	8.4
100.76827	0.7
101.02342	8.7
103.03897	1.7
110.56052	0.6
113.02367	9.4
115.03905	1.8
119.03378	1.3
125.02365	2.3
131.03391	3.2
135.04402	1.0
137.02339	1.0
141.32571	0.7
143.03430	3.2
149.05997	3.2
161.04453	0.9
163.05963	1.1
175.03937	0.8
195.26904	0.8
205.07091	2.3
253.38393	0.7
451.32346	3.0
521.36475	1.3
609.39954	0.8
651.41296	1.1
925.51929	8.4
926.52264	5.0
937.48254	100.0
938.48499	28.5
957.51410	1.4
1000.48047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47868	0.7
69.48280	1.5
71.01266	14.0
72.99187	1.3
73.02832	3.5
75.00759	5.3
83.01283	2.5
85.02840	8.8
85.99984	0.5
87.00289	0.4
87.00774	4.3
87.04398	0.9
89.02342	4.5
89.74648	0.3
95.01286	1.8
96.95904	1.0
97.02857	0.6
99.00777	6.4
99.04411	0.5
101.01711	0.5
101.02343	7.3
103.03899	1.5
109.02822	0.4
111.00744	0.4
112.01562	0.3
112.16298	0.3
113.02354	6.3
115.00224	0.5
115.03877	1.2
119.03412	1.2
119.04897	0.4
125.02337	0.9
127.03904	0.3
131.03435	2.7
135.04352	0.4
137.05991	0.4
139.00278	0.4
143.03426	3.6
145.04967	0.7
149.06000	0.7
151.00337	0.4
157.01341	0.9
161.04434	0.8
161.97899	0.3
163.06105	1.4
165.05530	0.4
205.07176	2.5
306.83792	0.3
365.10458	0.3
395.11093	0.5
396.12079	0.4
397.12646	0.4
398.13681	0.3
409.12643	0.4
451.32385	3.0
452.32559	0.6
472.51392	0.3
521.36279	2.1
609.40326	0.4
611.35907	0.6
907.60132	0.3
919.47675	0.6
920.47552	0.4
937.48206	100.0
938.48492	21.3
1000.51459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	3.4
70.06579	0.1
70.90079	0.1
71.01345	0.2
71.04983	1.0
72.08136	0.1
73.02905	1.8
74.09701	0.1
79.05480	0.3
81.03403	5.9
81.07058	0.1
82.03740	0.0
83.01321	0.1
83.04971	1.0
84.08155	0.0
85.02890	8.4
86.03210	0.0
86.06107	0.0
87.04457	0.4
91.03951	0.1
91.05454	0.2
93.03403	0.0
94.04210	0.0
95.04958	0.3
97.02877	6.6
99.04438	10.3
100.04773	0.1
101.02343	0.2
101.05968	0.1
103.03925	4.7
103.05412	0.1
105.03373	0.0
105.07029	0.2
107.04954	0.5
107.08578	0.0
109.02860	12.3
110.03664	0.1
111.04422	0.4
111.26319	0.0
112.07565	0.1
113.02341	0.1
115.03912	0.5
115.05384	0.2
117.05479	0.1
117.06982	0.5
119.04932	0.1
119.08488	0.1
121.02890	0.2
121.06498	0.1
123.04429	0.5
125.02351	0.5
125.05927	0.1
126.03151	0.0
127.03893	100.0
128.04233	0.8
129.05473	0.1
129.06989	0.1
131.04884	0.1
131.08566	0.1
133.06422	0.2
135.04387	0.2
136.07675	0.0
137.02286	0.1
137.05922	0.2
139.03909	0.2
140.07114	0.1
141.05476	0.1
141.06972	0.1
143.03435	0.1
144.05701	0.1
145.04933	8.6
145.06422	0.9
146.05319	0.1
147.04356	0.3
147.07939	0.0
149.02379	0.1
149.05945	0.2
151.03917	0.4
151.07545	0.0
152.04616	0.1
153.01797	0.1
153.05380	0.1
155.03284	0.0
155.06039	0.1
156.05632	0.2
157.04939	0.3
159.04355	0.0
159.06528	0.0
159.07948	0.2
161.05969	0.3
163.03983	0.3
163.05989	1.3
163.07449	0.1
165.05469	0.1
165.09059	0.1
167.03276	0.0
167.07019	1.5
168.06555	0.1
169.04930	1.0
169.06262	0.0
171.04376	0.0
171.06552	0.0
173.04443	0.2
173.05940	1.5
175.03889	0.1
175.07428	0.1
177.05450	0.2
179.06915	0.1
181.04901	0.2
181.08568	0.0
184.05145	0.1
185.06021	0.0
185.08020	0.0
187.05991	3.1
187.07426	0.2
189.05446	0.3
190.06198	0.9
191.06932	0.2
193.04919	0.3
193.08603	0.1
195.06532	0.1
199.05988	0.4
202.06197	0.1
203.06989	0.2
205.04861	0.3
205.06984	1.0
205.08601	1.9
207.06471	0.3
209.08043	0.6
209.09891	0.1
211.05977	0.5
215.05434	0.1
217.04939	0.3
217.08635	1.0
219.08195	0.0
219.10167	0.1
223.05968	0.1
225.07483	0.1
227.09177	0.2
229.06972	0.7
231.10358	0.0
235.05960	1.1
235.09569	0.5
241.06982	0.1
245.10190	0.3
247.07820	0.3
248.08186	0.1
253.07033	3.1
255.06454	0.1
264.07635	0.1
265.07950	0.1
265.10672	0.8
269.08096	0.0
271.08072	6.9
272.08313	0.1
275.06970	0.1
276.07858	0.1
279.10031	0.0
285.07422	0.0
289.09125	3.7
290.09235	0.0
291.10123	0.0
293.08102	0.0
295.08154	0.1
299.07706	0.1
301.07266	0.0
307.10190	0.5
313.09146	0.4
315.08490	0.1
321.07040	0.0
323.12747	0.1
330.10986	0.2
331.10110	0.4
337.09399	0.1
343.10794	0.0
349.11438	0.3
351.11960	0.1
355.10065	0.1
361.08954	0.1
368.12506	0.1
369.13126	0.0
371.14465	0.1
373.11151	0.2
379.10165	0.7
383.14883	0.4
385.16531	0.0
397.11270	1.5
401.16010	0.3
415.12283	3.0
416.12436	0.1
433.13385	1.3
451.14542	0.4
475.14270	0.1
478.62662	0.0
541.15448	0.8
577.17493	0.5
790.47015	0.0
995.35602	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	995.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	5.0
69.07058	0.1
70.06578	0.2
71.01360	0.3
71.04987	2.9
72.08125	0.2
73.02907	2.2
75.04440	0.2
79.05481	0.5
81.03410	8.0
81.07056	0.3
83.01327	0.3
83.04974	3.4
84.08117	0.2
85.02896	15.5
85.06544	0.2
87.04460	0.8
91.03934	0.1
91.05455	1.2
91.22696	0.1
93.07012	0.4
95.01347	0.1
95.04958	1.1
95.08559	0.2
97.02882	7.6
97.06533	0.2
98.21433	0.3
99.04443	12.0
101.05971	0.2
103.03934	5.4
103.05429	0.4
105.03415	0.3
105.07039	0.5
107.04946	1.2
107.08570	0.2
109.02866	17.8
109.06534	0.2
109.10154	0.3
111.04427	3.2
113.05845	0.1
115.03916	0.5
115.05446	0.2
119.04929	1.6
119.08578	0.2
121.02843	0.8
121.06504	1.1
121.10146	0.1
123.04421	1.7
125.02306	0.8
125.05967	0.2
126.03130	0.2
127.03903	100.0
128.04228	0.5
129.01848	0.2
129.05486	0.8
129.06935	0.2
131.04901	0.4
133.06470	0.3
133.10120	0.2
135.04381	0.7
135.08043	0.2
137.02310	0.3
137.05952	0.6
138.05502	0.2
139.03899	0.3
140.07019	0.2
145.04942	8.9
145.10083	0.3
147.04395	6.9
147.07973	0.1
149.02377	0.4
149.05992	0.5
151.03900	1.3
153.01813	13.5
153.05406	0.3
157.04951	0.4
159.04375	0.3
161.06007	0.6
163.03960	0.8
163.06010	1.1
163.07329	0.2
163.11325	0.2
165.01764	1.0
165.05440	0.4
167.03452	0.3
167.07028	1.5
169.04947	1.4
170.48370	0.2
171.02873	15.2
172.03316	0.1
173.04575	0.2
173.05983	0.5
175.03908	0.6
175.07422	0.2
175.14917	0.2
177.01805	1.7
177.05417	0.9
179.03314	0.7
181.04959	0.4
183.02911	1.8
185.05974	0.2
187.03983	0.4
187.06010	4.1
187.07635	0.4
189.01834	0.6
189.05443	0.3
189.07625	0.2
191.03368	1.6
191.07001	0.3
193.01312	0.2
193.04982	0.5
195.02872	12.2
197.00818	0.6
199.03926	0.2
199.06013	0.5
201.01781	0.2
201.05441	0.2
203.03363	0.6
205.01353	0.2
205.04944	0.7
205.07054	1.4
205.08719	0.3
207.02834	1.1
207.06499	1.1
209.04411	0.3
209.08113	0.5
211.05974	0.8
211.09486	0.1
213.03836	0.8
215.03383	1.6
217.01308	0.3
217.05003	0.7
217.08548	0.3
219.00720	0.2
219.02870	4.2
219.06282	0.2
221.04590	0.3
225.03989	0.3
227.03534	0.2
227.09085	0.2
229.05022	0.3
229.07082	1.4
231.02747	0.7
231.06458	0.2
233.04419	1.0
235.05966	1.0
237.03999	1.1
237.07571	0.5
241.04898	0.3
243.02844	1.7
245.04532	0.7
245.10254	0.3
247.07956	0.7
249.03934	0.4
253.07039	2.8
253.09514	0.2
255.02859	0.3
255.08652	0.6
257.04495	0.6
259.05713	0.2
261.03928	6.0
263.05533	0.3
267.02966	0.3
269.04504	0.3
271.08142	5.9
273.04272	0.5
273.07520	16.4
274.07806	0.2
275.05450	0.3
279.04977	0.7
281.04333	0.2
285.03937	1.3
285.07565	1.7
287.05435	0.5
289.09167	4.0
291.04892	0.2
297.07581	3.5
299.05505	0.5
301.06952	0.3
303.05002	1.2
305.03030	0.2
307.10178	0.6
309.04236	0.2
309.07559	0.8
311.05457	0.3
313.09442	0.3
315.08572	8.5
321.07581	0.2
327.04947	0.6
327.08585	0.2
331.10306	0.3
333.12082	0.2
335.08945	0.3
339.08603	3.6
349.11386	0.4
351.04871	0.3
351.08731	0.4
357.09711	1.3
363.08627	1.9
365.10300	0.4
369.05975	0.4
373.11255	0.9
379.10425	0.8
381.09521	4.7
381.20731	0.1
383.11346	0.4
387.07755	0.3
391.12189	0.2
393.09641	0.4
397.11450	1.6
399.10428	1.1
401.12250	0.3
405.09598	2.0
411.10880	0.3
415.12320	3.9
417.11572	0.8
423.10587	1.0
429.09195	0.3
433.13342	1.4
441.11655	0.9
443.12643	0.1
447.10403	0.7
451.14545	0.5
459.12598	0.6
465.11154	0.3
471.10709	0.4
481.15375	0.2
483.12891	0.4
489.11884	0.5
499.15820	0.2
501.13922	0.2
507.13034	0.8
513.10321	0.3
525.13940	1.3
531.11499	0.8
541.15741	0.7
543.15021	0.8
549.12592	1.4
561.16705	0.4
567.14191	1.1
577.17499	1.5
585.15424	0.6
591.15247	0.2
603.16766	0.2
609.15833	0.2
615.16327	0.2
633.15729	0.9
651.17072	2.0
659.99432	0.2
669.18127	2.2
687.18945	1.0
705.20154	0.4
723.19196	0.2
849.25220	0.2
995.34772	0.6
1005.32532	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	989.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99790	0.1
69.03420	5.0
69.07063	0.3
69.97988	0.6
70.06578	0.2
71.01361	0.2
71.04982	1.4
72.08150	1.0
73.02906	2.0
74.96003	0.1
79.05490	0.6
81.03408	8.4
81.07044	0.4
83.01334	0.4
83.04987	1.1
85.02894	10.0
87.04453	0.5
89.03911	0.1
91.03928	0.1
91.05476	1.0
93.07037	0.4
95.04964	0.5
95.08575	0.3
97.02879	7.2
98.06052	0.2
99.04443	11.6
101.02352	0.1
103.03932	4.0
105.07009	0.6
107.04948	0.3
107.08571	0.4
109.02866	15.5
109.06527	0.2
109.10155	0.2
111.04441	0.4
113.05907	0.1
113.45377	0.1
115.03909	0.7
115.05479	0.2
117.07005	0.2
119.04928	0.4
119.08589	0.4
121.02858	0.1
123.04422	0.7
125.02354	0.5
127.03900	83.1
127.46170	0.1
128.04248	0.5
129.05502	0.1
131.04926	0.2
131.08513	0.1
133.06506	0.1
133.10149	0.2
134.03641	0.2
134.56760	0.1
135.04404	0.2
137.05943	0.3
139.03880	0.2
141.05435	0.3
145.04941	7.4
145.10144	0.2
147.04373	1.5
147.11673	0.2
149.06010	0.2
151.03873	0.7
151.07529	0.2
153.05476	0.1
157.04947	0.2
159.02974	0.1
159.04448	0.2
159.11671	0.2
160.08359	0.1
161.05974	0.3
163.03886	0.5
163.06017	1.1
163.07425	0.2
165.05441	0.9
165.06734	0.1
167.07018	0.8
169.04938	0.8
173.05986	0.4
175.03929	0.4
177.01701	0.1
177.05470	0.2
181.04958	0.2
181.06477	0.1
185.13190	0.1
187.04276	0.2
187.05994	2.5
187.07607	0.2
189.05481	0.5
191.03362	0.7
191.07008	0.1
193.04930	0.4
195.08061	0.2
198.11224	0.2
199.06015	0.4
201.09372	0.1
205.05084	0.3
205.07054	1.1
207.06532	0.2
209.04428	1.0
209.08064	0.4
211.05952	0.3
211.07758	0.1
213.05493	0.2
215.07071	0.1
217.04950	0.4
217.06918	0.2
223.07527	0.3
229.04932	0.2
229.07074	0.7
232.72984	0.1
235.05936	1.1
239.07008	0.4
247.08130	0.2
251.07039	0.2
253.04800	0.1
253.07048	2.8
255.10121	0.2
257.08124	0.3
267.06580	0.9
268.07214	0.6
271.08090	5.8
279.06500	0.4
281.04260	0.1
283.06012	0.4
283.09561	0.2
285.07336	0.2
287.43875	0.1
289.09152	2.9
293.08017	0.2
295.05823	0.8
296.06784	1.4
297.07565	0.2
306.05170	0.3
307.06082	0.3
307.09760	0.2
309.07355	0.2
311.05780	0.3
311.09113	1.4
312.06125	0.3
313.09122	0.4
321.07587	0.6
323.05469	0.9
323.08990	0.2
324.06235	30.1
325.06772	1.0
327.08582	1.2
331.10364	0.2
337.06982	0.5
338.07452	0.1
339.08578	100.0
340.08884	1.6
345.09647	0.5
351.08578	0.4
357.09631	17.6
358.10117	0.2
363.08350	0.2
365.06488	0.2
369.09607	0.3
379.10315	0.6
381.09402	0.7
393.13226	0.5
394.13666	0.3
395.14838	7.3
397.11182	1.4
399.10361	0.2
411.14490	1.5
412.14749	0.5
413.15884	70.2
414.16245	0.9
415.12296	2.8
433.13361	1.1
435.10886	0.2
447.10770	0.4
451.14169	0.3
455.17029	0.6
465.11774	0.5
471.12991	0.2
503.17105	0.6
521.17999	2.6
539.18994	0.4
541.15491	0.5
557.19873	0.6
575.21271	0.7
577.17560	0.2
579.14563	0.2
609.15570	0.2
627.16461	0.1
639.24121	0.1
647.20721	0.4
657.25366	0.3
659.22711	0.4
665.21967	0.8
683.04071	0.1
683.23328	2.9
701.24500	0.8
741.19843	0.3
753.19531	0.3
759.20380	0.2
771.21057	0.2
773.24292	0.2
789.21863	0.3
791.24677	0.5
791.47833	0.5
809.26477	2.0
809.49268	1.3
827.27429	1.4
827.49530	0.3
845.28485	0.6
863.29266	0.2
953.52649	0.3
971.53613	0.7
989.56018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	5.1
69.07052	0.2
69.38037	1.3
70.06570	0.1
71.01322	0.1
71.04980	1.5
72.08147	0.2
73.02906	2.8
73.44005	0.1
73.93310	0.1
77.03931	0.1
79.05473	0.4
81.03404	8.8
81.07044	0.4
83.01351	0.2
83.04970	1.4
85.02891	10.9
85.06577	0.1
87.04454	0.5
91.05463	0.5
93.07011	0.3
95.04937	0.4
95.08597	0.3
97.02876	7.1
99.04438	12.5
101.02378	0.2
103.03928	4.5
103.05405	0.2
103.24098	0.1
105.03337	0.2
105.07007	0.5
107.04922	0.5
107.08579	0.3
107.21803	0.1
109.02863	17.7
109.10129	0.2
110.03667	0.2
111.04429	0.5
115.03946	0.7
117.05498	0.2
117.06966	0.2
118.54865	0.1
119.04936	0.3
119.08563	0.2
121.02821	0.3
121.06506	0.3
122.03674	0.1
123.04420	0.7
125.02333	0.5
127.03896	85.4
128.04216	0.6
129.06973	0.3
131.04919	0.2
131.08571	0.2
133.02824	0.3
133.06406	0.2
133.10107	0.2
134.03625	0.1
135.04376	0.3
135.08051	0.2
137.02333	0.4
137.05954	0.7
137.06876	0.1
139.03873	0.3
141.30574	0.1
143.08545	0.2
145.04935	7.5
145.10080	0.2
147.04404	0.6
147.81906	0.1
149.02423	0.1
149.05981	0.5
150.03088	0.2
151.03879	1.1
151.07520	0.2
153.05409	0.2
155.08548	0.2
157.04930	0.4
157.06281	0.1
157.10156	0.1
159.04384	0.4
161.05978	0.4
163.03871	0.4
163.05989	0.9
163.07294	0.2
165.05458	1.0
165.97429	0.1
167.07054	0.5
168.06589	0.2
169.04918	0.9
171.08051	0.3
173.04413	0.2
173.05984	0.3
173.09579	0.2
175.03888	0.4
175.07532	0.1
177.05457	0.3
181.04927	0.3
183.07990	0.2
185.05957	0.2
187.04190	0.2
187.05991	2.7
189.01810	0.2
189.05431	0.3
191.03348	0.3
191.06953	0.3
191.14368	0.1
193.04929	0.5
193.08588	0.1
199.05951	0.3
199.07521	0.3
200.08328	0.3
201.05420	0.2
201.09146	0.9
203.03339	0.2
203.07007	0.8
205.04933	0.4
205.07051	1.1
207.06474	0.5
209.08049	0.4
211.05905	0.3
213.09103	0.3
217.04936	0.4
217.06741	0.2
217.08772	0.1
224.08261	0.2
226.06195	0.1
227.07022	2.0
227.09149	0.3
229.04933	0.8
229.07054	0.6
231.06483	0.3
235.05928	1.0
241.08681	0.1
242.05530	0.1
243.06567	0.2
244.07314	0.3
245.08029	0.8
245.10164	0.2
247.05878	0.2
247.08148	0.3
251.06953	0.1
253.06998	2.8
255.06569	0.4
262.08420	0.2
263.06830	0.1
265.15207	0.1
271.08087	6.3
279.06357	0.3
279.10168	0.3
283.06122	0.3
283.09418	0.2
285.07510	0.4
287.10529	0.2
289.09094	2.5
290.09467	0.2
293.07947	0.1
293.11487	0.1
295.06134	0.2
295.09409	0.1
296.06543	0.2
303.10120	0.4
304.11026	0.2
307.09637	1.0
308.06702	0.3
309.07465	0.4
310.08047	0.2
311.05353	0.1
311.09164	0.2
312.06329	0.2
313.07053	0.5
315.10129	0.2
317.08255	0.2
321.07458	0.9
321.11230	0.4
322.11987	0.5
323.08994	0.7
324.06183	2.4
325.06921	0.5
325.10425	0.3
326.07599	0.2
327.08627	0.8
331.09885	0.5
332.10403	0.6
333.11169	0.3
335.05139	0.2
335.09064	3.4
336.06241	0.9
336.09540	0.2
337.06998	0.5
337.10577	0.2
337.14383	0.2
339.08569	4.5
343.09500	0.4
345.07599	0.3
346.08163	0.5
347.09067	0.3
347.12860	0.3
349.07370	0.9
349.10913	0.8
350.08218	0.7
350.11163	0.7
351.08563	2.1
351.12271	0.3
353.09973	0.3
359.09015	0.4
360.09784	2.6
361.10696	1.1
363.08569	6.0
364.09225	0.9
364.12842	0.3
365.09943	0.7
365.13998	0.5
373.11032	0.3
375.12210	3.5
377.10175	1.6
378.10925	10.6
379.11014	0.9
391.11737	0.3
393.13248	77.9
394.13599	2.3
395.11377	0.2
396.11917	0.3
397.11310	1.4
405.13312	0.3
409.12808	0.2
411.14307	100.0
412.14682	2.4
415.12283	2.6
417.12872	0.2
433.13559	0.7
435.14148	0.5
437.12204	0.3
451.14432	0.3
453.15283	0.5
473.15311	0.2
483.13666	0.1
501.15274	1.0
519.16486	2.8
537.17731	0.6
541.15363	0.5
555.18829	1.1
556.18530	0.2
573.19464	1.4
577.17188	0.2
619.21796	0.2
637.22968	0.2
645.19287	0.5
655.23877	0.7
657.21844	0.8
663.20721	0.9
681.21625	4.2
699.22687	2.3
717.24341	0.2
771.21857	0.3
789.23853	1.1
807.24805	3.4
825.25690	2.1
843.26666	1.3
861.27551	0.7
1024.29480	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	987.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99801	0.1
69.03423	4.3
70.88483	0.2
71.01335	0.2
71.04989	1.3
73.02914	2.2
79.05482	0.2
81.03411	7.5
83.01326	0.3
83.04979	1.1
85.02898	10.2
87.04457	0.5
91.03933	0.1
91.05457	0.2
93.07053	0.1
95.05004	0.2
97.02884	6.4
99.04444	10.9
100.04759	0.1
101.02361	0.1
101.65446	0.1
103.03934	4.4
105.07036	0.1
107.04941	0.2
109.02868	15.2
109.06534	0.1
110.03701	0.1
111.04445	0.3
115.03931	0.5
117.05483	0.1
117.06992	0.1
119.04962	0.1
119.08530	0.1
121.02879	0.1
121.06534	0.1
123.04409	0.3
125.02332	0.5
127.03904	88.2
128.04216	0.7
131.04927	0.1
133.02759	0.1
133.06451	0.1
134.03607	0.2
135.04407	0.2
137.05966	0.2
139.03900	0.3
145.04944	8.5
147.04424	0.2
148.05243	0.1
149.05965	0.2
151.03941	0.6
157.05019	0.4
161.05975	0.2
163.03883	0.3
163.06012	1.2
165.05455	0.2
167.03275	0.1
167.07109	0.1
169.04944	1.0
170.07233	0.1
173.04443	0.2
175.03825	0.2
175.07468	0.1
177.05482	0.2
181.04904	0.2
185.05983	0.1
187.06017	2.6
187.07651	0.2
189.01926	0.1
189.05446	0.4
191.03426	0.1
191.06918	0.1
193.04980	0.4
195.08054	0.1
198.06676	0.1
199.05991	0.6
199.07568	0.2
201.05408	0.2
202.02618	0.1
203.07033	0.1
205.04965	0.5
205.07062	1.0
207.06535	0.1
209.06313	0.1
209.08017	0.5
211.05959	0.3
213.05492	0.3
217.04950	0.3
217.06857	0.1
223.07774	0.1
225.05449	0.1
225.07498	0.1
226.06148	0.2
227.07008	0.6
227.09158	0.3
229.05003	0.2
229.07074	0.5
231.06351	0.1
235.05943	1.3
245.08002	0.4
245.10294	0.3
247.05962	0.4
247.08139	0.2
253.07036	3.0
261.09177	0.2
262.08417	0.3
263.09042	0.2
265.08743	0.1
267.06442	0.1
271.08109	6.7
272.08368	0.2
275.10736	0.1
276.11499	0.1
279.06421	0.2
280.07254	0.1
283.06039	0.3
287.10638	0.3
289.09122	3.3
293.08063	0.2
296.06680	0.1
303.10168	0.6
304.10925	0.3
305.11761	0.2
307.09784	0.9
308.06754	0.2
311.09216	0.1
313.06412	0.2
313.09579	0.2
314.09027	0.1
315.10071	0.2
317.07971	0.2
319.05756	0.1
319.09561	0.2
319.13266	0.1
321.07462	0.4
321.11191	0.4
322.08273	0.2
322.11951	0.3
323.05701	0.2
323.09070	0.6
324.06238	3.8
325.06964	0.3
327.08560	0.2
331.09918	0.6
332.10437	0.3
333.11194	0.3
335.05295	0.1
335.08978	1.2
336.06219	1.5
336.09949	0.3
337.06943	0.2
337.10599	0.2
338.07962	0.2
339.08597	8.1
340.08929	0.2
343.09583	0.6
345.07468	0.3
346.08148	0.2
347.12772	0.2
349.07425	0.5
349.10651	0.6
350.07773	0.6
350.11575	0.4
351.08563	2.2
351.12299	0.3
352.09027	0.1
353.09763	0.4
355.09946	0.2
357.10129	0.3
359.09024	0.5
360.09839	3.1
361.10468	0.6
363.08597	4.2
364.09332	1.0
365.09973	1.0
365.13989	0.2
369.09583	0.3
373.11014	0.2
375.12238	4.5
376.12473	0.1
377.10352	0.7
378.10953	9.6
379.10712	0.9
381.09464	0.2
389.10226	0.1
391.11804	0.1
393.13284	33.4
394.13654	1.1
395.11316	0.3
396.11899	0.5
397.11328	1.5
405.13376	0.2
411.14325	100.0
412.14682	3.4
415.12311	2.9
423.14130	0.2
433.13385	1.2
435.14127	0.2
437.12241	0.2
451.14398	0.3
453.15524	0.9
491.17017	0.2
501.15607	0.4
519.16492	2.4
537.17273	0.4
541.15369	0.6
555.18567	0.3
573.19226	0.2
577.17413	0.3
619.21405	0.3
645.19470	0.5
655.23529	0.2
657.21216	0.1
663.20874	0.6
681.10236	0.2
681.21570	1.6
699.21924	0.3
771.22583	0.2
789.23218	0.6
807.24957	1.2
825.25812	1.4
843.26697	0.6
861.27460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6035
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	5.1
69.07057	18.6
70.45296	5.5
71.04975	3.1
71.08591	1.5
72.58328	1.5
73.02906	2.3
78.48576	1.3
79.05483	61.2
80.95090	1.3
81.03389	3.9
81.07048	76.5
83.04974	5.2
83.08604	12.1
85.02897	12.3
85.06527	5.4
91.03938	6.8
91.05470	62.1
92.54485	1.3
93.07031	71.5
95.04961	12.7
95.08598	61.2
95.09232	2.1
97.02863	6.8
97.06549	9.0
97.10155	9.3
99.08085	4.4
103.05482	1.9
105.06291	2.7
105.07014	53.0
107.04939	4.3
107.08581	43.5
107.62547	1.4
108.65701	1.4
109.02887	1.8
109.06477	7.7
109.10143	24.8
111.08063	5.7
113.09603	1.6
115.05453	1.7
117.07008	26.0
119.08562	39.5
121.06515	2.7
121.10125	25.0
121.35739	1.3
123.08024	4.9
123.11693	5.8
125.09606	8.9
127.03893	3.4
128.06212	5.4
129.05444	1.5
129.06973	15.1
130.07823	1.5
131.08554	33.3
133.06444	2.4
133.10107	28.3
135.08037	4.3
135.11650	15.7
137.09622	2.9
137.13203	1.5
139.11096	1.5
141.06960	4.0
142.07709	1.4
143.08522	12.7
144.09358	2.4
145.04939	2.7
145.10109	39.5
147.07974	1.7
147.11667	25.3
149.09605	8.4
149.13232	7.5
151.11183	2.2
155.08531	5.9
157.10097	12.0
159.08115	1.6
159.11671	34.2
161.09552	1.6
161.13228	11.4
161.48285	1.3
163.05968	1.7
163.11172	4.7
163.14807	2.2
165.12715	2.1
167.08519	1.8
169.10083	5.8
171.11626	9.1
173.11862	2.6
173.13231	15.9
175.11180	3.3
175.14818	3.4
177.12766	2.2
183.11659	10.4
185.13220	22.9
187.14807	5.8
189.11185	3.4
189.16339	1.8
191.14207	2.2
195.11707	2.2
197.13257	5.9
199.14796	3.4
201.12794	1.6
201.16377	3.2
203.14378	7.9
205.15729	2.2
209.13277	1.7
211.14772	3.0
213.16495	1.7
215.14253	1.7
219.17436	6.4
227.12668	8.2
229.14284	2.6
229.19485	5.2
239.17923	10.9
241.19501	2.9
243.21118	2.9
257.18997	26.4
259.16916	1.7
259.20453	5.8
261.22119	8.1
267.15808	2.1
269.17416	2.2
271.20709	1.6
275.20044	40.0
277.21771	2.1
279.19473	1.7
293.21158	3.2
313.21570	2.1
317.24820	2.8
331.22656	10.0
333.24277	5.3
335.25766	94.5
336.25604	1.6
349.23691	66.7
351.25381	4.3
391.28415	1.6
419.23846	2.3
451.03336	1.4
489.35760	2.4
517.40448	2.4
529.38666	3.4
535.41077	2.2
555.40295	6.1
557.41772	2.0
569.42041	3.8
591.43872	2.8
592.44470	1.4
609.45038	100.0
610.45508	3.3
627.46021	13.3
632.13776	1.7
735.47375	1.7
753.48883	2.3
771.50732	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	986.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.9
69.07062	14.3
69.49720	7.9
71.04980	3.5
73.02924	1.5
79.05485	36.5
81.03402	3.1
81.07050	46.5
83.04994	1.1
83.08609	8.4
85.02894	7.8
85.06543	3.3
91.03961	5.6
91.05472	37.4
91.66386	0.7
93.07034	44.2
95.04957	6.3
95.08595	41.7
95.09219	1.5
97.02885	6.1
97.06548	6.0
97.10146	5.5
99.08070	2.7
105.07018	34.9
107.04968	2.1
107.08582	26.9
109.06483	4.9
109.10133	14.6
109.10799	1.1
111.08079	2.5
113.03400	0.9
115.05460	1.9
117.07002	20.4
119.08571	25.8
121.06502	1.8
121.10129	18.6
123.08047	2.8
123.11703	4.2
125.09638	3.2
127.03921	2.0
128.06229	2.9
129.05513	1.1
129.07004	8.8
130.07796	1.2
131.08565	24.3
131.09515	2.0
133.06467	1.0
133.10126	18.3
133.11079	1.8
135.08043	3.4
135.11685	8.5
137.09618	1.4
141.06981	2.9
142.07780	1.3
143.08551	9.1
144.09312	1.3
145.04926	1.1
145.06549	1.0
145.10115	26.9
147.08110	1.1
147.11673	14.0
149.09612	4.8
149.13240	4.6
155.08540	4.6
157.10092	9.4
159.11667	21.6
159.12997	1.0
161.09494	1.1
161.13232	6.9
163.05997	2.0
163.11162	3.8
163.14818	1.1
165.12729	0.9
167.08508	1.0
169.10117	5.3
171.11668	6.8
173.09572	1.1
173.13245	11.4
175.11217	1.6
175.14830	3.1
177.12849	1.6
181.10188	1.2
183.11624	6.2
185.13234	11.9
187.14841	2.4
189.11314	1.9
189.16406	1.2
191.14240	1.0
197.13298	3.5
199.14827	2.3
201.12823	1.3
201.16327	1.9
203.14317	3.8
205.15839	1.2
205.56790	0.9
209.13365	0.9
211.14812	1.9
213.16380	1.8
215.17957	0.9
217.15909	1.5
219.17427	3.6
227.12720	4.3
229.14238	1.4
229.19496	2.9
237.16211	0.9
239.17957	8.2
241.19640	1.7
243.21083	1.6
247.20631	1.1
257.19006	16.1
259.20554	4.7
261.22141	5.9
267.15735	1.1
273.18405	1.1
275.20041	21.4
278.70255	0.9
293.20972	1.6
317.24789	1.9
331.22610	10.5
333.24225	5.2
335.25772	100.0
336.26154	2.4
337.27283	1.6
349.23682	31.4
351.25464	2.0
357.83109	0.9
387.77100	0.9
395.29935	1.3
401.22604	1.1
489.35739	1.6
505.35010	2.0
517.40198	2.5
529.38678	4.0
555.40417	3.4
557.41809	1.1
569.41736	3.3
591.43903	2.2
609.45068	92.9
610.45972	2.4
627.46222	11.0
651.45990	1.4
717.46564	1.3
735.47955	1.8
753.49640	1.4
771.49664	1.5
987.58502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99792	0.4
69.03423	9.4
70.06573	0.4
71.01351	0.2
71.05000	0.7
72.08142	0.2
73.02917	0.6
74.09725	0.1
79.05479	0.3
81.03409	3.4
81.07048	0.2
83.01352	0.2
83.04977	0.4
84.08154	0.2
85.02898	6.2
87.04456	0.2
91.05460	0.6
93.07026	0.3
95.04961	0.5
95.08624	0.3
96.49831	0.1
97.02881	22.1
97.06507	0.2
98.03205	0.2
99.04446	4.7
103.03935	3.2
103.05473	0.3
105.07002	0.6
107.04943	0.6
107.08546	0.1
109.02869	6.2
109.10140	0.2
111.04414	0.4
115.03921	2.9
115.04736	0.2
119.04933	1.0
121.02861	0.6
121.06500	0.4
121.10130	0.2
123.04453	0.6
125.02323	0.2
127.03903	100.0
128.04231	1.5
131.04922	0.3
133.06491	0.4
133.10165	0.1
135.04416	0.3
137.02275	0.2
137.05959	0.5
139.03905	0.4
141.01836	0.2
145.02960	0.2
145.04945	3.7
147.04387	3.0
147.05479	0.2
148.04680	0.2
149.05997	0.3
151.03925	0.4
153.01808	5.4
153.05420	0.3
157.04968	1.4
159.04361	0.2
161.05966	0.5
163.03931	0.3
163.05997	1.2
163.07292	0.2
165.01820	0.3
165.05470	0.2
167.07030	2.1
168.07413	0.4
169.04950	0.5
171.02876	4.4
173.05991	0.2
175.03836	0.4
175.06017	1.4
175.07480	0.2
177.01813	0.3
177.05484	0.6
179.03346	0.1
179.07007	0.3
181.01268	0.1
181.04948	0.5
183.02896	0.5
187.04248	0.2
187.05975	1.1
187.07422	0.2
189.01842	0.2
189.05476	0.2
191.03416	0.4
191.06956	0.2
193.04951	1.2
193.08679	0.4
194.08943	0.3
195.02881	1.5
195.06442	0.2
197.08189	0.1
199.05980	0.4
200.44878	0.1
203.03471	0.2
205.04930	0.6
205.07031	0.4
205.08710	0.2
207.02910	0.3
207.06485	0.5
207.13889	0.1
209.08090	0.2
211.05974	0.2
211.09630	0.3
217.06976	0.1
219.02925	0.5
223.05991	5.1
229.07066	0.5
231.02924	0.8
235.05855	0.2
241.07039	3.9
243.02942	0.2
247.07993	0.2
249.03902	0.8
253.06946	0.9
257.04269	0.1
259.08133	3.0
259.10715	0.2
261.03970	0.4
271.05649	0.2
271.08139	2.3
273.07547	7.6
274.07803	0.2
277.09225	0.3
283.08188	0.4
285.07562	0.5
287.05438	0.2
289.09149	1.1
297.07529	0.3
301.09778	0.1
315.08661	0.5
319.10126	0.2
327.08682	0.1
337.06876	0.2
339.08517	0.3
349.09317	0.2
351.08432	0.8
363.08450	0.1
367.10483	0.7
369.09421	0.6
373.10880	0.2
381.09625	0.3
385.11337	1.8
393.09351	0.2
403.12354	1.3
411.10632	0.2
415.12430	0.3
417.11911	0.1
421.13461	0.8
433.13211	0.3
435.12680	0.1
511.14990	0.2
529.15558	0.8
547.16626	1.7
639.16522	0.2
980.60706	0.2
981.40338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.8
70.06580	0.6
71.01340	0.2
71.04986	1.3
71.62992	0.3
72.08150	0.4
73.02917	1.7
74.55201	0.1
78.04705	0.7
79.05485	1.5
81.03413	6.1
81.07057	0.3
83.01322	0.3
83.04964	1.1
84.08167	0.4
85.02900	10.4
86.09713	0.2
87.04460	0.6
91.03906	0.2
91.05484	1.4
93.07036	0.4
95.04974	1.0
97.02888	7.1
97.06506	0.3
98.06039	0.2
99.04447	9.9
101.02390	0.3
103.03934	5.1
103.05434	1.5
104.06216	0.2
105.07024	7.9
106.04146	0.4
107.04953	1.2
107.08553	0.3
108.63106	0.2
109.02873	12.6
109.06528	0.2
109.10127	0.2
111.04435	0.6
115.03908	0.6
115.05438	2.0
117.07011	0.7
118.04163	0.5
119.04930	0.6
119.08553	0.5
121.02886	0.3
121.06494	0.4
123.04425	2.1
124.05209	0.7
125.02319	0.4
125.05969	0.3
127.03908	100.0
128.04222	0.4
129.06978	0.3
131.04900	0.9
132.05682	0.5
133.06482	8.8
133.10132	0.3
135.04404	0.5
135.08047	0.3
137.05949	1.1
139.03917	0.2
141.05597	0.1
141.06969	0.2
142.49791	0.2
143.04959	0.2
143.06052	0.5
144.05598	0.2
145.04947	7.1
145.06453	1.2
146.03456	0.2
147.04391	2.1
147.07988	0.5
148.04890	0.2
149.05975	1.0
151.03871	0.6
151.07533	0.3
152.04678	0.7
153.01849	0.2
153.05463	0.3
153.07022	0.2
156.05681	0.2
157.04987	0.3
157.06459	0.2
159.08023	0.4
160.05156	0.6
161.05977	12.3
162.06660	0.2
163.03880	0.6
163.06000	1.0
163.07446	0.4
165.05449	0.5
165.06767	0.3
167.07028	52.1
168.07729	1.2
168.89511	0.1
169.04958	1.4
171.08029	0.3
173.04559	0.2
173.05936	0.7
174.06703	0.3
175.03937	0.2
175.07472	1.0
175.11078	0.2
175.14748	0.2
177.05478	0.6
177.09177	0.2
178.06200	0.4
179.06999	0.7
180.07817	0.3
181.04941	0.3
181.06403	0.2
181.08589	0.9
183.08018	0.2
184.02161	0.1
185.09579	0.2
187.05995	2.9
187.07568	0.7
187.55794	0.2
188.08261	0.2
189.05478	0.2
189.08998	0.3
190.06250	0.8
191.06993	1.0
192.07864	0.2
193.08592	28.7
194.08929	0.3
195.08069	0.3
197.06053	0.2
198.06735	0.2
199.07477	0.4
201.05383	0.2
203.06935	0.4
203.10643	0.2
205.05222	0.3
205.06967	1.0
205.08640	5.2
207.06503	0.3
207.10086	0.3
209.07912	0.7
211.05997	0.5
211.07814	0.2
211.09628	6.4
213.09206	0.3
215.06964	0.5
217.05019	0.2
217.08710	0.7
219.06569	0.3
219.10266	0.3
221.08063	0.5
223.07684	0.3
227.06956	0.3
229.06912	0.7
231.10103	0.5
233.08044	0.7
235.05942	0.8
235.09605	1.5
240.07802	0.2
241.08556	0.5
243.06360	0.2
245.08017	0.3
247.07782	0.8
247.10173	0.2
251.06917	0.2
253.07036	2.1
253.10760	0.3
259.09683	0.9
268.07269	0.3
269.08127	0.4
271.05893	0.6
271.08151	4.4
273.11169	0.6
276.78958	0.2
277.10651	0.5
283.09659	1.7
285.07602	0.4
286.08157	0.2
289.09061	2.7
301.07343	0.3
301.10681	3.4
303.12271	0.2
307.05966	0.3
307.09988	0.3
311.11481	0.2
313.09229	0.2
319.11755	2.3
325.06757	0.2
325.10410	0.3
331.10001	0.3
337.06931	0.2
337.12741	0.5
339.08582	0.2
349.11200	0.2
353.13748	0.3
354.14597	1.1
373.11087	0.9
379.09827	0.2
385.16507	3.1
391.12134	0.4
396.15503	0.3
397.11447	0.9
415.12314	2.2
427.10013	0.2
427.17743	1.0
433.13440	0.8
445.14951	0.3
461.15848	0.2
463.15781	0.4
493.18329	0.6
511.19394	0.5
535.16083	0.2
541.15259	0.5
577.18207	0.4
589.18835	0.3
607.19049	0.2
614.22729	0.2
799.27710	0.4
979.36505	0.5
984.13507	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	979.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03064	0.5
69.03423	7.1
69.38513	3.3
70.06577	1.4
71.04989	2.3
72.08142	2.9
73.02908	2.9
73.11897	0.3
74.74891	0.3
79.05489	0.4
80.47874	0.4
81.03408	11.9
83.04983	2.5
84.08129	0.9
85.02895	19.1
86.09691	0.5
87.04478	0.7
89.10747	0.4
91.05473	1.4
93.07050	0.4
95.04945	1.3
97.02883	12.5
97.06497	0.4
98.06012	0.5
99.04442	16.6
101.02388	0.4
103.02885	0.3
103.03931	8.0
103.05440	0.4
105.03374	0.3
105.07057	0.5
107.04941	1.1
109.02868	23.3
109.06474	0.7
110.06014	0.3
110.06912	0.2
111.04459	0.9
115.03908	2.4
117.06964	0.4
119.04927	3.7
120.08057	0.3
121.02856	13.5
121.06504	0.5
122.06020	0.3
123.04443	0.9
127.03901	100.0
128.04262	0.6
128.06306	0.3
131.04919	0.8
133.06500	0.5
133.10103	0.3
135.04401	0.7
137.02379	0.5
137.05917	0.9
137.13681	0.3
138.05486	0.4
139.03888	0.4
145.02893	1.8
145.04939	5.6
147.04396	4.5
148.04736	0.4
149.02275	0.6
149.05942	0.4
151.03893	1.1
152.07077	0.8
153.01756	0.7
153.05428	0.9
153.53880	0.3
157.04996	1.5
160.43288	0.3
161.02301	0.6
161.06004	0.9
163.03882	1.5
163.06165	0.3
165.01888	0.4
165.05505	0.5
167.03372	0.4
167.07030	2.7
169.05011	0.5
171.02934	0.4
173.02257	0.6
173.05983	0.5
175.03880	1.3
175.06003	1.4
177.01775	0.5
177.05458	0.9
179.03375	1.2
179.06941	0.4
181.04956	0.9
187.03914	0.7
187.06012	1.9
189.01782	1.9
189.05450	1.2
191.03397	3.3
193.04939	1.0
194.01978	0.4
195.02908	1.6
199.03894	0.4
201.01884	0.4
201.05432	0.8
203.03349	1.8
205.04897	1.2
205.07042	1.9
207.02878	4.4
207.06549	0.5
209.04417	1.6
209.08034	0.9
211.05971	0.6
215.03372	1.1
217.04941	1.4
218.11777	0.3
218.81808	0.3
219.02902	4.5
221.04390	1.8
225.03778	0.5
225.05667	0.5
227.03398	0.7
227.06984	0.5
229.04965	0.8
229.07074	1.3
231.02925	1.0
233.04486	1.3
239.03354	0.4
239.07002	0.7
241.04842	0.8
241.07082	0.6
243.02838	0.5
243.06480	0.3
245.04396	0.6
247.08070	0.7
249.03854	0.4
251.06985	1.2
252.07852	0.6
253.04803	0.6
253.06908	1.7
255.02783	0.7
255.06474	0.6
257.04391	0.4
261.03665	0.3
263.06976	0.7
265.04910	0.3
266.05762	0.6
267.06409	2.0
268.07236	1.6
269.04413	0.6
269.07999	0.4
271.05896	0.8
271.08319	3.5
273.03787	0.7
279.06433	3.0
280.07233	1.3
281.05002	0.5
281.08035	4.2
283.06003	4.8
284.06735	2.3
285.03812	0.6
289.09296	1.7
291.06613	0.6
292.07434	0.8
293.08026	1.4
294.05188	14.3
295.05978	25.8
296.06738	2.3
297.04099	0.7
297.07474	4.0
298.08075	0.6
299.05515	0.6
304.07394	0.4
305.08066	0.8
307.05975	36.4
308.06717	12.7
309.04028	1.0
309.07510	17.8
310.07907	0.6
311.05493	1.6
313.07013	7.9
317.08090	1.3
319.05988	7.5
319.09650	0.7
320.06827	2.0
321.03711	0.7
321.07550	12.0
322.08356	2.1
323.05429	1.2
323.09164	2.1
324.06152	0.4
325.07025	22.7
326.07565	0.7
329.07983	0.7
331.06027	0.5
332.06769	0.7
333.07523	6.4
334.08392	0.8
335.05426	2.6
335.09149	3.7
336.06250	2.3
336.09604	0.4
337.07019	68.6
338.07379	1.4
339.04846	0.6
339.08527	3.5
340.05347	0.3
341.10178	0.7
345.07504	3.2
346.08380	0.5
347.05380	0.7
347.09167	3.4
349.07004	13.6
350.07703	1.3
351.04831	0.8
351.08633	7.2
353.06567	1.0
355.08069	9.5
357.07632	0.8
359.09094	1.5
361.07004	10.7
361.10690	0.6
362.07623	0.8
363.08600	5.5
365.06421	1.3
365.10300	0.8
367.08044	8.0
371.09155	0.7
373.06992	2.9
373.11243	1.2
374.07800	0.6
375.08630	3.6
377.06479	1.0
379.08078	22.2
380.08478	0.6
385.09116	0.9
387.08578	2.2
389.05814	0.4
389.10132	1.4
391.08075	22.9
392.08435	0.6
393.09561	1.1
395.07724	0.3
397.09048	3.8
399.10239	1.3
401.10483	0.7
403.07703	6.1
405.09552	1.4
407.07648	0.5
409.09146	14.2
413.10022	0.4
415.07837	1.5
415.12094	3.1
417.09756	2.2
421.09039	5.3
421.13953	0.5
427.10236	27.0
428.10385	0.4
433.08771	4.6
433.14429	0.5
439.10193	5.6
441.09622	0.6
445.10092	5.7
451.09982	3.1
455.18341	0.5
457.11249	9.1
458.11075	0.5
463.10138	3.6
465.11520	1.8
469.11295	3.8
475.10947	2.3
481.11221	5.0
487.11374	0.7
491.10083	0.8
493.11127	3.9
499.12277	3.0
509.10004	2.0
511.12448	5.8
513.14130	0.4
517.11157	1.7
523.11676	0.4
527.15283	0.9
529.13354	8.1
535.12085	1.1
539.15155	0.4
541.13208	0.5
547.14423	7.2
553.13190	1.7
557.16168	0.6
559.14386	1.3
565.13751	1.3
571.14471	3.6
581.16010	0.5
583.14020	1.2
589.14575	1.8
599.16980	0.5
601.15466	2.7
607.14685	1.9
619.15076	0.9
625.15356	2.9
629.18457	0.7
631.16101	0.7
635.17120	1.1
637.14996	0.4
643.16443	5.2
649.16339	0.8
653.17902	1.0
655.16663	1.0
661.15967	1.8
665.18079	0.4
667.16113	0.9
671.17480	1.5
673.17419	2.0
679.16473	3.6
685.17480	1.3
689.19849	0.5
691.18292	2.5
697.17529	11.8
703.18329	1.1
709.17578	3.0
715.18585	12.4
721.19165	2.0
727.18738	7.1
733.19598	16.9
734.19519	0.6
745.06915	0.5
745.19525	8.8
751.19885	0.3
763.20593	13.4
764.20093	0.4
769.19135	0.5
781.19385	2.0
799.20612	6.8
817.21539	9.3
835.22821	13.3
853.23779	13.0
859.21985	1.0
889.23016	0.8
961.24127	0.6
979.23987	1.5
979.44019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	8.4
70.06573	1.1
71.01342	0.4
71.04988	2.1
72.08144	1.6
72.56191	0.2
73.02916	2.8
79.05489	0.7
81.03408	11.4
83.01340	0.3
83.04955	2.1
84.08128	0.8
85.02893	18.9
86.09689	0.6
87.04451	0.9
91.03949	0.3
91.05457	1.8
93.07038	0.3
95.04953	0.9
97.02879	12.6
97.06509	0.3
97.67641	0.3
99.04441	16.5
101.02376	0.5
103.03286	0.5
103.03932	6.8
103.05456	0.5
105.07021	0.7
107.04939	1.2
109.02865	23.8
110.02370	0.5
111.04424	1.3
115.03934	1.5
119.04922	3.4
119.08573	0.4
120.08039	0.3
121.02853	13.5
121.06432	0.3
123.04408	1.3
125.74617	0.3
127.03899	100.0
128.04240	0.5
131.04903	0.6
133.06538	0.4
135.00739	0.4
135.04391	0.5
137.02299	0.4
137.05963	0.6
139.03865	0.4
145.02824	2.2
145.04941	5.7
147.04388	3.2
149.05991	0.4
151.03937	0.9
152.07083	0.5
153.01776	0.7
153.07281	0.3
157.04939	1.2
161.05954	0.7
163.03912	1.2
165.01866	0.5
167.07040	2.1
169.04933	1.1
173.02385	0.6
173.05952	0.5
175.03864	1.0
176.01166	0.3
177.05421	0.8
179.03380	1.2
181.04964	0.9
187.03893	0.8
187.05986	1.4
187.07501	0.3
189.01831	1.9
189.05400	1.7
191.03358	4.5
193.04930	0.4
193.08562	0.4
194.02101	0.5
195.02858	0.9
197.06042	0.4
199.03926	0.6
201.01906	0.4
203.03383	2.5
204.04376	0.3
205.04916	0.9
205.07048	2.5
207.02846	4.5
209.04439	1.4
209.08055	0.8
213.05478	0.4
215.03355	1.0
217.04956	1.2
219.02888	4.7
221.04427	1.3
223.05879	0.4
227.03438	0.6
229.04906	0.8
229.07039	1.1
231.02902	1.2
233.04454	0.9
235.07690	0.4
239.06952	0.5
239.50520	0.4
241.04756	0.7
243.02802	0.9
243.06516	0.5
245.04459	1.1
247.05852	0.3
247.08163	0.4
249.03888	0.7
251.07010	0.7
252.07820	0.4
253.04829	0.6
253.06892	1.8
255.06573	0.9
257.04382	0.6
261.04022	0.7
263.06979	0.4
264.85428	0.3
265.05042	0.8
267.06366	1.7
268.07239	1.1
269.04462	0.9
269.07889	0.4
271.05853	1.0
271.08276	4.2
273.03934	0.9
279.06470	3.8
280.07208	1.7
281.04584	0.5
281.08005	4.2
283.05991	5.2
284.06693	1.5
285.03961	0.7
289.09045	1.8
291.06409	1.2
292.07364	0.9
293.04596	0.6
293.08066	1.6
294.05185	15.3
294.08310	0.5
295.05969	28.1
296.06628	2.4
297.04077	0.6
297.07437	3.9
298.08173	0.6
299.05435	0.5
303.05240	0.3
304.07303	0.4
305.08041	0.9
307.05978	38.6
308.06720	12.9
309.04102	0.9
309.07516	19.6
310.08188	0.9
311.05496	3.1
311.08881	0.5
313.06985	7.9
317.08014	1.0
318.08636	0.4
319.06012	8.1
319.09402	0.4
320.06631	2.0
321.07516	13.2
322.04742	0.6
322.08167	2.3
323.05414	1.3
323.09122	1.8
324.06012	0.7
325.07019	27.5
326.07394	0.9
329.07913	0.6
331.05994	0.6
331.09659	0.6
332.06665	0.7
333.03680	0.5
333.07523	6.4
334.08282	0.6
335.05383	2.6
335.09128	3.7
336.06210	2.3
337.07004	69.0
338.07303	1.5
339.04959	0.8
339.08597	2.5
341.06531	0.5
341.10410	0.4
345.07458	2.6
346.08289	0.4
347.05414	1.0
347.09106	3.0
348.06293	0.5
349.07016	15.6
349.10666	0.7
350.07590	1.2
351.04874	0.8
351.08597	8.2
353.06509	1.4
354.07300	0.3
355.08063	10.9
357.07367	0.7
359.09180	1.5
361.06998	10.6
361.10379	0.5
363.08618	5.0
365.06375	1.2
365.10370	1.1
367.08057	9.6
371.09186	0.6
373.07010	3.5
373.11148	0.8
375.05286	0.4
375.08795	2.9
377.06442	1.2
377.10532	0.4
379.08063	25.1
380.08502	0.5
381.09979	0.7
385.09567	1.8
387.08508	1.8
389.10120	1.2
391.08063	27.4
392.08539	0.7
393.09641	1.2
395.07422	0.5
397.08997	5.4
399.10986	2.2
401.10385	0.7
403.07803	5.9
405.09753	2.3
409.09134	15.8
413.09286	0.4
415.07928	1.7
415.12048	2.4
417.09848	2.1
419.11612	0.7
421.09103	5.2
425.09250	0.4
427.10251	29.0
428.10092	0.5
429.09659	1.1
433.08954	5.3
433.13235	0.5
439.10303	3.6
445.09863	6.7
447.10901	0.6
451.10074	4.1
453.09369	0.4
457.11038	4.2
463.10153	2.4
465.12103	0.5
469.11218	4.1
471.10297	0.6
475.10529	2.3
481.11252	4.3
487.10864	0.7
489.11545	0.5
493.11182	5.0
499.12259	1.9
505.11197	0.5
509.10016	1.9
511.12350	7.5
517.11145	1.7
521.10925	0.7
529.13403	7.4
535.12170	1.7
547.14288	5.5
551.11334	0.5
553.13251	1.8
557.16406	0.8
559.14404	1.1
563.15448	0.7
565.14374	0.9
571.14148	2.1
577.14331	0.4
581.16528	0.6
583.14142	1.0
589.15002	1.6
601.15125	4.0
607.14587	2.5
613.15674	0.6
619.15784	0.7
625.15326	2.8
629.18109	0.8
631.15985	1.1
635.17120	1.1
637.14935	0.4
643.16534	4.9
649.16156	0.6
653.17834	1.3
655.15491	0.5
661.16071	1.5
667.16052	0.8
671.18353	1.1
673.17334	2.0
679.16711	3.7
685.17389	1.5
691.17822	1.9
697.17535	7.0
703.17822	1.3
709.17841	2.6
715.18616	10.2
721.19586	2.1
727.06543	0.4
727.18622	8.5
733.19714	8.3
745.19580	7.4
763.20587	15.1
769.18744	0.5
781.18866	1.3
787.19904	0.6
799.20654	4.8
815.19360	0.7
817.07184	0.5
817.21619	8.0
821.30646	0.4
835.22711	10.7
853.23779	8.7
854.24170	0.4
859.21191	0.8
889.22974	1.0
926.08173	0.3
961.25934	0.6
979.36603	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	975.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	5.6
69.07048	0.4
70.06561	0.3
71.01363	0.2
71.04986	1.7
71.63546	0.2
72.08143	0.2
73.02546	0.2
73.02911	2.9
79.05484	0.5
81.03409	9.0
81.07038	0.6
83.01329	0.2
83.04972	2.6
84.08130	0.3
85.02892	10.6
87.04451	0.9
91.05473	1.1
91.41134	0.1
93.07022	0.6
95.04951	0.7
95.08578	0.2
97.02881	6.4
99.04440	12.1
99.08057	0.2
101.02372	0.2
103.03932	2.9
103.05411	0.3
105.07031	0.8
107.04958	1.2
107.08578	0.4
109.02866	24.6
109.06527	0.3
109.10132	0.5
111.04412	0.3
115.03908	0.6
115.05379	0.2
117.05571	0.1
117.07002	0.3
118.65739	0.1
119.04943	0.6
119.08562	0.6
121.02834	1.4
121.06479	0.2
121.10139	0.4
123.04456	0.7
123.08072	0.2
124.84098	0.1
125.02357	0.2
125.05965	0.2
127.03900	46.2
128.04216	0.2
128.06207	0.2
129.06970	0.1
131.04921	0.6
131.08536	0.2
133.06494	0.4
133.10120	0.4
135.04332	0.4
135.08005	0.2
135.11705	0.2
137.05940	0.6
139.07619	0.2
140.07051	0.2
143.08539	0.2
145.02841	0.2
145.04945	3.8
145.06219	0.3
145.06540	0.2
145.10085	0.3
147.04366	1.0
147.11629	0.2
149.05930	0.4
149.09593	0.2
151.03894	0.5
155.08534	0.3
157.04947	0.4
157.06425	0.4
159.04356	0.2
159.07976	0.2
159.11681	0.1
160.44849	0.1
161.02351	0.2
161.06010	0.3
163.03932	0.4
163.06033	0.4
163.07460	0.3
165.05476	0.2
167.07025	2.7
167.08412	0.3
168.06572	0.4
169.04955	0.3
169.06325	0.2
169.10066	0.1
171.08060	0.2
173.05956	0.2
175.03929	0.4
175.07489	0.3
175.14813	0.2
177.05437	0.4
180.09990	0.2
181.04971	0.3
181.06508	0.2
185.05971	0.2
187.03859	0.2
187.04233	0.2
187.06020	1.5
187.07520	0.3
189.05489	0.2
191.03447	0.3
191.14372	0.2
193.04955	0.2
193.08572	0.3
195.08044	0.5
197.06021	0.2
199.05919	0.3
199.07520	0.4
203.03296	0.3
203.07085	0.2
205.05028	0.2
205.07014	0.5
205.08723	0.2
207.06442	0.7
209.04410	0.3
209.07950	0.2
211.07661	0.3
211.09578	0.3
213.05446	0.4
213.09116	0.2
217.04884	0.2
223.07614	0.2
227.06998	0.5
227.08900	0.3
229.07007	0.4
231.08047	0.3
235.05965	0.6
237.09079	0.2
239.07005	0.2
245.07982	0.2
246.10446	0.3
247.07820	0.2
251.07236	0.2
253.07002	1.6
255.06509	0.4
256.08841	0.2
263.06931	0.2
265.08646	0.5
267.06412	0.2
271.05563	0.2
271.08163	3.0
271.10956	0.3
274.09976	0.5
279.06430	0.3
281.08051	0.5
283.06021	0.5
285.07489	0.3
289.09070	1.1
289.12326	0.4
293.08002	2.4
295.06046	0.3
296.06720	0.4
297.07361	0.9
302.09152	0.3
303.10004	0.5
305.08096	0.5
306.08905	0.4
307.05994	0.6
307.09668	0.6
307.13242	0.2
308.06866	0.2
309.07532	21.7
310.07980	0.3
311.05554	0.2
311.09152	0.3
315.08533	0.4
317.11581	0.7
319.09540	0.4
320.06818	0.2
320.10522	0.2
321.07596	5.2
321.11133	0.9
322.08081	0.2
323.08984	0.7
324.05823	0.2
325.07166	0.3
327.08438	2.3
329.08060	0.3
330.08807	0.2
331.09790	0.5
333.07471	1.6
333.11096	0.3
334.08344	2.0
335.09067	2.2
335.12750	0.7
339.08597	1.2
345.11185	9.4
347.09079	2.0
348.09863	2.1
349.10678	0.7
351.08560	0.7
353.10071	0.4
361.10834	0.2
362.11414	0.3
363.12216	39.5
364.12668	0.5
365.10132	1.6
367.11703	0.3
373.11066	0.2
375.12265	0.3
378.10593	0.2
379.11081	0.5
380.12665	0.3
381.13275	100.0
382.13492	1.2
387.12372	0.5
389.10217	0.2
393.13187	0.4
397.11688	0.5
399.14395	1.4
403.11649	0.3
405.13321	1.1
409.12653	0.2
411.13953	0.2
415.12296	0.9
417.13409	0.3
423.14209	0.9
429.13251	0.2
433.13184	0.5
435.14258	0.2
443.14291	0.2
447.14398	0.3
453.13260	0.4
471.14432	0.9
489.15146	2.2
507.16537	0.8
512.12207	0.2
525.17249	0.9
543.18549	6.2
571.18201	0.2
589.20605	0.2
607.21625	0.2
615.18134	0.8
625.22723	7.8
626.22882	0.2
627.20667	3.4
633.18909	0.8
651.20624	19.5
652.20441	0.2
669.21680	7.6
687.22760	2.8
711.22406	0.4
723.19147	0.2
729.23889	1.6
733.24377	0.3
741.21027	0.4
751.25879	0.2
759.22485	1.3
777.23779	5.4
795.24829	9.8
813.25836	7.5
831.26819	6.5
849.27814	0.3
957.28778	0.2
975.29431	0.2
975.47217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99765	0.2
69.03423	8.0
70.06586	0.6
71.01332	0.2
71.04990	1.7
73.02910	2.9
79.05495	0.6
81.03410	10.8
81.07050	0.3
83.01334	0.3
83.04976	3.0
85.02895	14.2
87.04456	1.1
89.23727	0.2
89.28122	0.2
91.05467	1.1
93.06944	0.2
95.04946	0.9
97.02882	8.9
99.04443	14.8
101.02367	0.3
103.03937	4.1
105.07011	0.6
107.04937	1.1
109.02869	29.3
111.04427	0.4
115.03928	0.6
115.05417	0.2
117.05478	0.3
117.07010	0.2
119.04906	0.6
119.08575	0.4
121.02848	1.4
121.06514	0.4
121.10031	0.3
123.04445	0.7
125.02357	0.3
125.47665	0.2
127.03903	70.9
128.04266	0.4
131.04886	0.6
131.08565	0.3
133.02782	0.3
133.06456	0.3
133.10089	0.4
135.04402	0.5
137.02354	0.3
137.05928	0.2
139.03888	0.3
141.01817	0.2
145.04947	6.7
145.06187	0.3
147.04413	1.0
149.05986	0.4
151.03905	0.5
151.07526	0.2
157.04950	0.4
161.05965	0.4
163.03906	0.3
163.06020	0.7
163.07445	0.2
165.05496	0.2
167.07071	1.3
167.08325	0.3
169.04967	0.8
171.07988	0.3
173.06010	0.3
175.03894	0.7
175.07576	0.2
177.05443	0.5
181.04990	0.3
181.06441	0.4
183.08084	0.2
187.05994	2.4
187.07480	0.4
189.05406	0.3
191.03358	0.6
191.06969	0.3
197.05899	0.3
199.05916	0.2
199.07634	0.4
200.04630	0.2
205.05005	0.4
205.07045	0.9
207.06534	0.5
207.13777	0.2
209.04471	0.7
209.07986	0.4
211.07510	0.6
211.09428	0.2
213.05533	0.2
213.08897	0.3
215.07086	0.3
217.04854	0.3
217.15451	0.2
225.05673	0.2
227.06999	0.3
227.09088	0.4
228.04149	0.3
229.07022	0.5
235.05998	0.8
239.07083	0.5
243.06544	0.4
245.10168	0.3
247.07707	0.2
253.07027	2.2
259.11249	0.2
259.96863	0.2
262.09827	0.2
263.07053	0.3
271.08093	4.6
272.08371	0.4
273.07343	0.3
277.12311	0.3
281.08054	1.2
283.06088	1.2
284.06253	0.2
285.07605	0.5
289.09055	1.8
290.09406	0.3
293.08099	0.7
295.06335	0.3
296.06769	0.4
297.07455	0.5
301.08545	0.4
305.08124	0.5
305.11752	0.4
307.05884	0.3
307.09906	0.4
308.06638	0.4
308.10059	0.2
309.07532	65.0
310.07898	1.1
315.09348	0.6
316.10690	0.2
317.08307	0.3
318.08716	1.1
319.09509	1.4
321.07379	0.7
323.09158	0.6
325.06760	0.3
327.08594	19.4
328.08682	0.3
331.09586	0.5
332.10196	0.4
333.07489	0.6
333.11166	3.7
334.08228	0.8
335.09097	0.7
335.12772	0.5
337.10806	0.6
339.08777	0.4
343.09674	3.1
346.08289	1.5
347.09174	0.4
349.10867	0.5
351.08429	1.1
351.12228	6.2
351.16467	0.4
353.10330	0.2
355.72940	0.2
361.10678	20.9
362.11020	0.4
365.10321	1.0
369.13327	2.7
377.10358	0.3
378.10989	0.3
379.11728	21.9
380.12292	0.3
381.13477	0.6
397.12787	100.0
398.13150	1.5
403.12006	0.3
415.12271	2.3
433.13293	0.6
435.10553	0.3
469.13406	0.3
471.12589	0.4
487.13620	1.0
505.14987	1.4
507.73074	0.2
523.15900	0.8
541.17017	1.7
559.18115	3.8
577.17303	0.3
613.16870	0.6
623.21234	0.4
631.18353	1.7
641.22388	2.5
643.20074	1.7
649.19135	3.3
667.20117	15.3
668.19537	0.3
685.20972	3.1
703.21692	0.9
727.21802	0.2
757.21100	0.5
775.22113	2.7
793.23254	7.1
811.24341	4.7
829.25403	2.6
847.25854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	4.5
69.07072	0.1
70.06557	0.1
70.93781	0.2
71.04976	1.2
73.02908	2.1
79.05476	0.4
81.03408	7.8
81.07057	0.5
83.01337	0.2
83.04970	1.5
85.02893	8.2
87.04451	0.6
91.03923	0.2
91.05459	0.4
93.03361	0.1
93.07045	0.3
95.04955	0.3
95.08593	0.3
97.02879	5.3
97.06518	0.1
98.60376	0.1
99.04442	9.8
100.45893	0.1
101.02370	0.2
103.03931	2.5
103.05434	0.1
105.03367	0.2
105.07014	0.2
107.04936	0.4
107.08572	0.3
109.02866	16.6
109.06483	0.2
109.10133	0.1
110.03136	0.1
111.04450	0.3
115.03889	0.7
115.05424	0.1
119.04900	0.2
119.08573	0.2
121.02878	0.2
121.06525	0.2
121.10133	0.2
123.04408	0.6
125.02351	0.2
127.03901	43.2
128.04265	0.3
128.24771	0.1
131.08566	0.1
133.06456	0.1
133.10106	0.2
135.04425	0.5
135.08121	0.1
137.02303	0.7
137.05946	0.2
139.03975	0.1
143.08589	0.2
145.02982	0.2
145.04942	3.7
145.06224	0.1
145.10100	0.2
147.04398	0.9
149.02353	0.2
149.06007	0.2
149.09651	0.2
151.03911	0.4
153.05499	0.1
153.07042	0.1
155.08513	0.2
157.04951	0.3
159.04416	0.2
160.63412	0.1
161.02319	0.4
161.06027	0.2
163.03882	0.4
163.06004	0.5
163.07448	0.2
165.05551	0.1
167.07077	0.7
167.08308	0.2
169.04915	0.3
171.08017	0.2
173.05997	0.1
175.03897	0.3
175.07507	0.2
175.14790	0.1
177.05444	0.3
179.03278	0.1
181.04910	0.1
184.08818	0.1
185.05989	0.1
187.06015	1.5
187.07512	0.2
189.05467	0.3
191.03397	0.3
193.04868	0.2
193.08728	0.1
195.08012	0.4
197.05867	0.1
199.05885	0.2
199.07553	0.3
201.05333	0.1
201.09161	0.1
203.03394	0.6
203.07004	0.2
205.05084	0.2
205.06958	0.9
209.04413	0.2
209.08069	0.2
211.05922	0.2
213.05450	0.3
215.07016	0.1
216.09348	0.2
217.04907	0.4
217.08504	0.1
219.02971	0.2
221.04518	0.1
223.07466	0.3
225.05489	0.2
227.06999	0.8
227.09044	0.2
229.04974	0.2
229.07011	0.4
235.05966	0.4
241.04932	0.2
243.06487	0.4
244.08784	0.1
245.08005	1.4
245.10191	0.1
247.07869	0.2
251.06731	0.1
253.06982	1.4
253.09142	0.1
255.06496	0.5
259.11200	0.3
262.09918	0.2
263.09152	0.5
269.04483	0.5
269.09491	0.2
271.08118	3.0
272.08295	0.2
277.12158	0.2
281.08051	0.3
283.05981	0.3
287.10641	0.3
289.09174	1.4
290.09354	0.3
293.08078	0.2
295.13049	0.2
296.06711	0.2
297.07608	0.4
299.05402	0.6
305.08264	0.2
305.11664	0.5
307.05957	0.3
307.09357	0.1
308.06693	0.2
309.07504	1.9
312.06204	0.1
313.06653	0.5
315.10062	0.3
318.08719	0.3
319.05923	0.2
319.09567	0.3
321.07846	0.5
322.08112	0.3
323.05466	0.2
323.09177	0.2
323.12817	0.3
324.06235	0.3
325.07025	14.2
326.07385	0.3
327.08551	0.1
331.10089	0.1
333.11234	0.7
335.09167	0.3
336.06256	0.4
336.09824	0.2
337.07028	4.4
337.10709	0.9
339.08572	0.9
343.09680	0.5
345.07370	0.3
346.08298	0.2
347.09094	0.2
349.07037	1.1
349.10861	0.2
350.07776	1.5
351.08511	1.5
351.12317	0.5
353.10254	0.1
355.08060	0.4
359.09061	0.1
360.09695	0.2
361.10663	8.1
362.11057	0.2
363.08572	1.2
363.12503	0.2
364.09363	2.2
365.10077	0.3
373.11087	0.2
377.10193	0.2
378.10916	0.6
379.11716	37.9
380.12302	1.1
381.09409	0.7
381.13736	0.1
382.10397	0.2
390.11371	0.1
391.11694	0.6
393.13315	0.3
395.11237	0.2
396.11810	0.4
397.12769	100.0
398.13141	1.8
407.11575	0.1
408.11948	0.2
409.12787	0.5
411.14267	0.4
415.12341	1.1
421.12817	0.8
423.10574	0.6
433.12976	0.4
439.13824	1.8
441.13245	0.2
459.14108	0.1
463.13870	0.2
469.12653	0.3
477.15445	0.5
487.13901	1.5
505.14883	4.3
523.15869	0.8
541.16949	0.9
559.09656	0.2
559.18054	2.7
605.19635	0.3
620.03333	0.1
623.21094	0.2
631.17706	1.0
641.22235	1.8
643.20227	1.6
649.18939	1.1
667.20117	9.5
668.20288	0.2
685.21051	2.6
703.22101	1.0
709.21332	0.2
727.21887	0.2
745.23523	0.2
749.24158	0.2
757.21936	0.5
775.22034	1.3
785.26685	0.2
793.23224	4.0
811.24365	4.9
812.24902	0.2
829.25378	3.1
847.26324	1.9
997.06036	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	970.6093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	1.7
69.07066	9.8
69.32282	14.4
71.04979	2.9
79.05051	2.0
79.05491	27.3
81.07052	43.9
83.08611	5.2
85.02908	6.6
85.06544	2.4
91.03970	2.8
91.04955	2.5
91.05477	25.1
93.07041	40.9
95.04957	5.4
95.08598	31.4
95.09163	2.5
97.02891	4.8
97.06499	1.7
97.10153	3.4
102.21268	1.4
105.07035	24.9
107.08595	21.3
109.06527	1.4
109.10151	16.4
111.08092	1.8
117.07001	8.2
118.14252	1.7
119.08570	19.7
121.10134	17.8
123.11696	5.9
127.03908	3.2
129.07027	2.6
131.08557	12.1
133.10141	16.7
135.11693	13.6
137.09712	1.4
139.11192	2.0
143.08527	2.3
145.10107	11.3
147.11671	11.9
149.13248	7.5
151.14864	1.6
157.10117	3.8
159.11736	10.3
161.13217	7.5
163.06102	1.8
163.11208	1.5
163.14838	2.0
171.11678	4.0
173.13315	6.5
175.14893	1.9
185.13258	5.0
187.14845	4.7
199.14690	1.5
201.16380	1.5
205.15909	2.7
208.38387	1.6
221.15138	1.4
231.21033	2.4
241.19641	7.6
243.20982	2.2
259.20569	19.2
261.22098	8.4
267.75513	1.5
277.21692	13.0
293.21033	1.5
315.23270	1.7
317.24716	2.3
331.22565	1.7
333.24185	14.1
335.25784	100.0
337.27124	2.3
351.25272	34.1
410.14853	1.7
529.38940	3.8
593.45599	3.4
611.46661	49.8
629.47589	2.1
673.21222	1.6
755.51190	2.1
970.56250	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	970.391
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99776	0.0
69.03418	0.1
70.06576	0.1
71.04992	0.1
71.62625	0.1
72.08131	0.1
77.03900	0.1
78.04699	1.0
78.30254	0.0
79.05482	0.7
79.80615	0.0
81.03410	0.5
81.07037	0.2
83.04971	0.1
84.08124	0.1
85.02895	0.6
86.09712	0.1
91.05460	0.5
93.03412	0.1
93.07040	0.3
93.76633	0.0
94.04183	0.1
95.04959	0.4
96.05734	0.1
97.02863	0.4
98.06047	0.0
99.04427	0.1
101.84491	0.0
103.05433	0.2
105.03357	0.1
105.04504	0.1
105.07012	0.6
106.04146	0.5
107.04945	1.3
107.08560	0.0
109.02863	0.3
109.06512	0.1
110.03619	0.0
111.04436	0.1
111.08075	0.1
112.07619	0.1
115.05389	0.3
117.03389	0.0
117.07002	0.4
118.04122	0.0
119.04928	0.2
119.08530	0.0
121.02884	0.1
121.06496	0.5
122.03603	0.2
123.04410	3.1
123.11677	0.0
124.05191	1.4
125.05969	0.2
127.03900	0.4
128.04288	0.0
129.06995	0.1
131.04869	0.2
131.08560	0.2
132.05659	0.1
133.05479	0.0
133.06465	0.7
133.10165	0.1
134.03593	0.2
135.04399	0.1
136.07498	0.0
137.02309	0.0
137.05954	0.4
138.03065	0.1
138.05449	0.1
139.03795	0.0
139.07512	0.1
140.04639	0.1
141.06937	0.1
143.04929	0.0
143.06023	0.1
144.05644	0.2
144.06639	0.1
145.02814	0.1
145.04857	0.1
145.06471	0.9
147.04367	0.4
147.08025	0.0
148.04817	0.0
149.05951	0.9
151.03879	0.6
151.07518	0.1
152.04655	1.2
153.01761	0.0
153.05400	0.0
155.05957	0.1
155.07002	0.1
156.05635	0.2
157.06482	0.1
159.07994	0.3
160.05080	0.1
161.05963	0.9
162.07524	0.1
163.03958	0.1
163.07443	0.1
165.05515	0.1
165.09091	0.1
166.06177	0.2
167.07013	100.0
168.04141	0.1
168.05939	0.1
168.07352	1.0
169.06326	0.1
169.07677	0.1
171.04370	0.0
172.05148	0.1
173.05951	1.8
175.03836	0.1
175.07481	0.1
177.05545	0.2
179.07002	0.3
180.08676	0.1
181.04866	0.1
181.08562	1.0
181.10175	0.1
183.06592	0.0
186.06644	0.0
187.07526	0.4
189.05511	0.1
189.08936	0.1
190.06223	1.0
191.06985	0.1
193.08577	5.3
195.06438	0.1
202.06232	0.1
203.06973	0.3
204.07744	0.0
205.08577	3.0
207.06464	0.3
207.10121	0.1
209.07993	0.1
211.09622	14.7
212.09949	0.1
212.12764	0.1
215.07063	0.1
217.08577	1.4
218.08907	0.0
219.08044	0.1
219.10118	0.6
221.08008	0.1
223.09621	0.1
229.08635	0.0
231.10152	0.0
234.06609	0.1
235.07458	0.1
235.09627	0.9
237.11116	0.1
239.08978	0.1
241.10664	0.1
247.07573	0.1
247.09636	0.4
248.08267	0.1
249.09053	0.0
249.11131	0.2
255.06413	0.1
263.10562	0.0
265.10687	2.3
269.07709	0.1
271.06100	0.1
271.09583	0.1
275.06915	0.1
276.07751	0.1
277.08463	0.1
279.10010	0.1
282.08841	0.1
291.10202	0.1
293.08096	0.1
299.09000	0.1
301.07123	0.1
307.09454	0.1
308.10330	0.1
309.07709	0.1
315.08575	0.3
319.09152	0.0
321.07437	0.1
323.12531	0.1
325.10641	0.0
330.10968	0.6
331.11670	0.2
339.12244	0.1
343.11655	0.1
351.12421	0.2
353.10107	0.1
357.13007	0.1
368.12341	0.1
369.13040	0.1
371.14838	0.2
373.16257	0.0
383.14828	1.1
384.14795	0.0
385.16248	0.1
401.15903	2.6
427.17392	0.0
429.19193	0.0
439.16998	0.1
472.71960	0.0
515.21051	0.0
593.23169	0.1
599.24078	0.1
611.24817	0.4
629.25476	0.2
667.22009	0.0
970.39038	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	965.327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.3
69.03426	4.5
69.07042	0.3
69.32082	1.9
70.06568	0.6
71.01324	0.2
71.04984	1.3
72.08157	0.4
73.02614	0.2
73.02915	2.0
79.05485	0.5
81.03413	6.9
81.07055	0.5
83.04977	1.2
84.08144	0.5
85.02899	11.4
85.06495	0.2
87.04461	0.8
91.05470	0.7
93.07037	0.5
95.04956	0.8
95.08588	0.4
96.62324	0.2
97.02884	7.7
97.06529	0.2
99.04448	11.1
103.03934	5.7
103.05444	0.4
105.07035	0.5
107.04957	0.8
107.11710	0.2
109.02876	14.3
109.06527	0.4
111.04417	0.7
113.02331	0.2
115.03908	0.6
115.05455	0.8
117.07027	0.8
119.04923	0.9
119.08593	0.3
121.02899	0.4
121.06516	0.3
121.10133	0.2
122.03671	0.2
123.04408	1.1
125.02352	0.5
125.05916	0.3
127.03908	100.0
128.04266	0.6
129.05534	0.2
129.06999	0.4
131.04933	0.6
133.06418	0.4
133.10158	0.4
135.04414	0.5
135.08015	0.2
135.11740	0.3
137.02344	0.4
137.05963	5.0
138.05453	0.3
139.03894	0.3
143.04893	0.4
144.05672	0.2
145.02989	0.4
145.04950	9.9
145.06441	1.1
147.04395	1.5
147.11659	0.3
148.04753	0.2
149.05966	0.4
149.13268	0.2
151.03935	0.7
151.07513	0.3
152.07056	0.2
153.01817	0.5
153.05415	0.6
157.04985	0.6
157.06355	0.3
159.08101	0.3
160.05156	0.8
160.06374	0.2
161.05951	0.6
162.06844	0.2
163.03893	0.7
163.06010	1.7
163.07404	0.4
165.05530	0.3
167.07031	4.6
169.04985	1.3
171.06531	0.2
173.04553	0.4
173.05954	2.2
173.13245	0.3
175.03918	0.8
175.07530	5.3
175.08990	0.4
175.14781	0.2
177.05530	0.7
179.06992	0.4
181.04945	0.6
184.05165	0.2
186.71841	0.2
187.06009	3.9
187.07564	1.8
188.61803	0.2
189.05418	0.3
189.09105	0.3
190.06358	0.8
191.07013	0.4
191.14325	0.3
193.08589	0.2
199.06006	0.5
202.06270	0.3
203.07086	0.3
205.05002	0.3
205.07010	1.0
205.08624	3.5
207.06514	1.8
209.08099	1.0
211.05988	0.4
217.05035	0.3
217.08582	2.2
219.10178	0.3
223.09627	0.2
227.09151	0.3
229.07097	0.9
231.08064	0.3
235.05959	1.3
235.09621	2.0
245.10287	0.4
247.09894	0.4
249.08994	0.3
253.07059	3.2
255.06653	1.1
261.09131	0.3
265.10757	2.0
270.05154	0.5
271.08154	7.0
283.06009	0.3
285.07571	2.1
286.08176	0.2
289.09171	3.3
300.09869	0.6
301.07050	0.6
301.10513	0.4
306.08728	0.3
307.09995	0.5
309.11038	0.4
313.07016	0.5
321.11200	0.6
326.11374	0.2
337.07227	0.2
339.12250	0.3
341.13916	0.6
349.11270	0.3
353.10162	0.2
353.14035	1.3
355.15527	0.4
371.11853	0.2
371.14984	2.0
373.10855	0.2
379.10184	0.7
387.14398	0.5
389.12283	0.6
397.11169	1.5
415.12354	3.3
433.13507	1.5
499.55969	0.2
504.88791	0.2
541.15546	0.7
577.17773	0.4
605.80566	0.2
965.35559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01836	0.2
67.05502	0.2
68.99800	0.2
69.03422	6.5
69.07053	0.2
70.06575	0.4
71.01321	0.2
71.04978	1.7
71.63345	0.2
72.08134	0.4
73.02904	3.1
79.05475	0.5
81.03406	10.8
81.07043	0.4
82.03756	0.2
83.04978	1.5
84.08131	0.3
85.02892	12.9
86.03220	0.2
87.04462	0.6
91.03932	0.2
91.05477	0.8
93.03362	0.4
93.07045	0.4
95.04959	0.7
95.08578	0.3
97.02877	8.6
98.03214	0.2
99.04439	14.3
101.02385	0.4
101.05997	0.2
103.03925	5.4
103.05444	0.2
105.07031	0.5
107.04953	0.7
107.08582	0.2
109.02862	20.7
109.06499	0.2
110.03692	0.2
111.04413	0.8
112.07558	0.2
115.03918	0.7
119.04930	0.5
119.08585	0.2
121.02858	0.5
121.06480	0.3
121.10172	0.2
123.04398	0.7
125.02332	0.5
127.03896	100.0
128.04198	1.0
131.04912	0.3
133.06493	0.4
133.10094	0.2
134.03581	0.2
135.04427	0.5
137.02345	0.5
137.05943	0.7
138.05481	0.3
139.03896	0.4
143.04892	0.2
145.04938	8.9
145.10017	0.2
147.04404	1.3
149.05977	0.4
151.03864	0.8
151.07536	0.2
153.01793	0.7
157.04955	0.4
159.04312	0.2
159.11513	0.1
161.05930	0.7
163.03905	1.8
163.05997	1.2
163.11288	0.2
165.05540	0.2
165.43585	0.1
167.07011	2.1
169.04922	0.9
171.02890	0.4
173.05994	0.4
175.03896	0.7
177.05441	0.8
179.03419	0.2
181.04971	0.5
181.06393	0.2
187.04196	0.2
187.05986	3.1
187.07513	0.1
189.05432	0.7
191.03374	1.5
191.07016	0.3
193.04948	0.5
195.02888	0.4
199.05989	0.5
199.07564	0.2
201.05429	0.3
203.03349	0.4
204.04132	0.9
205.04951	1.8
205.07042	1.2
207.06473	0.7
209.04291	0.2
209.08081	0.6
211.06013	0.5
212.63187	0.2
217.04942	0.6
217.06885	0.2
219.02846	0.2
221.04405	0.7
222.05261	0.5
223.05936	0.4
225.07753	0.2
227.09122	0.2
229.06970	0.9
235.05878	1.1
237.09062	0.2
245.10176	0.3
247.07860	0.5
251.07053	0.2
253.06935	3.6
254.09230	0.4
255.06499	1.1
261.09247	0.2
265.08463	0.7
267.06628	0.2
271.08105	7.4
272.08771	0.2
273.07614	0.5
281.07977	2.6
282.08832	1.3
283.05969	0.3
285.07489	1.1
287.05447	0.6
289.09097	3.3
293.08057	1.4
294.05334	0.2
295.05890	0.3
297.08255	0.2
297.11200	1.1
301.07172	0.2
303.08768	0.2
307.10132	0.4
308.06747	0.2
309.07468	1.1
310.08307	1.0
311.05536	0.2
311.09106	0.2
313.09348	0.2
315.08600	0.1
319.05933	0.3
320.06754	0.4
321.07565	2.8
321.11197	0.3
323.05624	0.2
323.09128	0.4
325.06912	0.4
325.10739	0.5
327.08646	0.3
331.10312	0.4
335.09109	0.6
337.06992	5.6
337.11020	0.3
338.07791	23.6
339.08350	1.3
349.11044	0.2
351.08420	0.4
353.10135	55.2
354.10547	1.8
356.08801	1.1
357.09512	0.2
365.10345	0.3
367.11865	0.2
371.11203	53.2
372.11539	1.6
373.11426	0.3
379.10187	0.6
383.11130	0.3
389.12247	82.3
390.12607	2.3
395.11115	0.3
397.11346	1.4
413.12289	0.4
415.12363	3.0
416.12799	0.2
431.13300	0.7
433.13306	1.2
451.14429	0.4
461.12219	0.4
479.13370	1.1
481.28842	0.2
497.14380	3.3
498.14844	0.2
515.15405	0.7
533.16669	0.9
541.15485	0.6
547.78796	0.2
551.17426	1.0
577.17426	0.3
597.19196	0.2
615.20117	0.2
617.19257	0.2
623.17389	0.7
633.21948	0.4
635.19818	0.8
641.18311	1.0
659.19562	3.7
677.20752	1.5
719.20746	0.2
749.19696	0.4
767.20978	1.0
785.22485	2.5
803.23608	1.4
821.24658	1.0
839.25061	0.4
965.34302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	24.4
69.07063	13.3
69.63119	19.5
71.08625	17.6
79.05488	24.7
81.03413	4.4
81.07053	29.3
83.04946	4.6
83.08629	12.0
85.02899	10.2
85.10181	12.7
91.03932	6.8
91.05469	37.8
92.32495	2.5
93.07033	30.2
95.04957	7.7
95.08588	31.6
97.02884	7.2
97.06488	4.2
97.10157	4.6
99.08091	3.9
100.98991	2.6
105.07024	30.9
107.08617	16.0
107.95295	2.2
108.25086	1.9
109.06503	4.2
109.10138	12.3
111.08058	3.0
115.05421	2.9
117.07016	20.6
119.08588	31.7
121.10134	8.4
123.07962	2.3
123.11743	3.0
128.06195	2.9
129.06979	14.0
129.22707	2.5
131.08562	27.7
133.10133	13.9
140.17836	2.0
140.57137	2.2
141.06923	3.1
143.08556	11.0
145.06479	3.2
145.10112	23.3
147.08066	2.5
147.11711	10.7
149.09616	6.8
155.08553	5.5
157.10149	11.3
159.11679	21.3
161.09550	2.5
161.13251	6.7
163.11194	3.3
169.10107	6.7
171.11679	4.5
173.13214	11.6
175.14853	2.5
182.30786	2.2
183.11699	5.9
185.13284	21.8
190.16039	2.0
190.26707	2.1
190.28401	2.4
197.13277	4.8
201.16328	4.4
203.14305	9.6
211.14778	2.4
217.15813	2.4
219.17421	9.5
219.74619	2.2
229.19458	3.6
237.37756	2.1
239.17938	10.8
239.23668	2.6
242.04817	2.5
257.19031	26.7
275.20059	31.0
279.19763	2.5
313.27353	100.0
314.27661	3.0
331.22507	11.4
349.23657	42.7
493.26315	2.3
569.45654	3.5
587.46674	96.8
731.50555	3.6
812.92633	3.0
860.34845	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	958.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	13.8
69.03426	5.6
69.06712	1.0
69.07061	11.8
69.29654	4.7
69.30080	2.6
70.06589	1.2
71.01343	1.9
71.04987	49.6
72.08151	0.8
73.02914	5.4
75.04481	5.5
79.05486	8.6
81.03418	3.5
81.07049	38.8
83.04974	17.3
83.08601	6.4
85.02897	91.7
85.06515	0.8
86.06008	0.9
87.04453	1.7
91.03945	6.8
91.05463	6.9
92.87708	0.7
93.07032	20.8
95.01328	5.3
95.04974	2.5
95.08599	80.5
96.08919	1.8
97.02886	11.7
97.06527	3.0
97.10167	3.3
98.20670	1.6
99.00782	0.9
99.04468	3.3
101.06007	1.6
103.03947	1.8
103.05444	1.2
105.07021	22.6
106.07401	1.0
107.04961	1.3
107.08586	33.6
109.02861	5.1
109.06542	3.4
109.10148	32.3
111.04434	14.3
111.08082	1.0
111.11678	1.1
113.02343	1.5
117.03348	0.9
117.06995	3.4
119.04897	1.3
119.08572	27.9
121.06487	1.5
121.10133	32.0
123.04418	2.2
123.08082	1.3
123.11701	15.5
125.09587	1.6
127.03919	11.8
129.05467	32.1
129.06958	1.4
131.03372	0.8
131.08559	10.6
133.10118	19.8
133.11069	1.4
135.08040	2.0
135.11682	16.7
137.05937	1.9
137.09633	1.3
137.13239	25.2
141.01825	18.8
141.02879	1.4
141.06993	0.7
142.07706	0.6
143.08554	4.1
144.09294	1.3
145.02846	0.6
145.04918	8.3
145.10110	15.0
146.08124	0.9
147.04420	4.0
147.06506	17.4
147.11678	17.5
149.06056	1.2
149.09637	1.8
149.13242	11.8
149.25577	0.6
151.03922	1.5
151.07475	0.8
151.11163	0.9
151.14838	2.1
153.05548	0.9
156.09193	0.8
157.10136	8.5
159.02904	6.2
159.11671	16.9
160.12463	1.0
161.05946	0.9
161.13242	17.6
162.05424	0.8
162.13794	0.7
163.03883	1.2
163.06007	10.7
163.07399	1.1
163.11160	1.6
163.14807	6.4
164.09187	2.4
165.05476	1.0
165.07597	1.7
167.07037	5.7
168.07411	0.8
169.10162	2.6
170.10936	0.9
171.06516	1.1
171.11662	7.2
173.13248	14.4
175.03844	1.0
175.11212	1.9
175.14792	11.8
175.16229	0.8
177.04015	1.1
177.05460	2.3
177.12781	8.1
177.16362	21.9
178.16751	0.9
179.14256	3.5
179.17905	0.9
181.04994	0.9
181.08592	0.6
183.11665	3.0
185.13277	5.9
187.11217	0.8
187.14778	8.3
189.12772	2.2
189.16370	15.2
191.14360	4.3
191.16136	1.2
191.17928	24.9
193.08624	1.1
193.12228	1.1
195.06374	0.9
195.11586	0.7
197.13277	2.4
199.11153	1.1
199.14845	5.5
201.12831	0.9
201.16371	11.4
203.14301	11.2
203.17934	24.9
205.08623	1.0
205.15895	1.9
205.19518	2.2
207.06503	2.8
207.13756	0.8
207.17409	1.5
209.13243	1.1
211.14821	2.0
213.07440	0.9
213.16316	4.9
215.14468	3.6
215.17914	7.8
217.15935	4.0
217.19427	4.0
219.17398	1.0
219.21048	1.3
221.15329	1.2
221.19061	0.9
225.16443	1.6
227.17944	2.3
229.15875	2.8
229.19469	3.4
231.17441	13.8
231.20990	3.7
233.15312	0.8
233.19060	0.8
239.17964	1.5
241.15891	1.4
241.19525	2.2
243.17513	5.9
243.21082	3.5
245.22758	1.1
247.16890	1.9
253.19373	0.9
255.06349	1.2
255.08713	2.1
255.17397	1.6
255.21008	2.4
257.18890	1.6
257.22678	1.7
259.20551	1.2
261.18457	9.5
267.21085	1.2
269.06454	1.1
269.19055	1.8
269.22601	1.8
271.20529	5.7
273.09756	3.0
273.18304	2.0
275.20062	2.2
283.05798	0.9
283.20560	2.8
285.21970	1.5
287.07730	3.1
287.19992	4.1
289.21622	9.9
291.10568	0.8
292.19730	0.8
301.07141	0.8
301.21497	3.5
305.08679	5.6
309.11792	6.3
313.06989	1.3
315.23114	3.5
321.07901	1.4
323.09540	2.1
325.06976	2.6
326.07428	0.8
326.14435	0.9
336.06470	1.2
339.08807	3.9
339.30383	1.3
351.08633	2.4
363.12256	1.0
369.09744	3.2
379.30197	1.5
381.13315	1.0
387.10803	3.2
393.13287	2.0
393.35135	4.2
403.33621	3.3
411.14294	2.3
412.14679	1.0
421.34619	95.9
422.34787	4.5
427.13937	0.7
439.35684	100.0
440.35904	4.7
513.11957	0.8
549.38867	1.2
615.39050	1.6
615.48889	0.8
651.15485	0.9
958.50970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	13.8
69.03426	5.6
69.06712	1.0
69.07061	11.8
69.29654	4.7
69.30080	2.6
70.06589	1.2
71.01343	1.9
71.04987	49.6
72.08151	0.8
73.02914	5.4
75.04481	5.5
79.05486	8.6
81.03418	3.5
81.07049	38.8
83.04974	17.3
83.08601	6.4
85.02897	91.7
85.06515	0.8
86.06008	0.9
87.04453	1.7
91.03945	6.8
91.05463	6.9
92.87708	0.7
93.07032	20.8
95.01328	5.3
95.04974	2.5
95.08599	80.5
96.08919	1.8
97.02886	11.7
97.06527	3.0
97.10167	3.3
98.20670	1.6
99.00782	0.9
99.04468	3.3
101.06007	1.6
103.03947	1.8
103.05444	1.2
105.07021	22.6
106.07401	1.0
107.04961	1.3
107.08586	33.6
109.02861	5.1
109.06542	3.4
109.10148	32.3
111.04434	14.3
111.08082	1.0
111.11678	1.1
113.02343	1.5
117.03348	0.9
117.06995	3.4
119.04897	1.3
119.08572	27.9
121.06487	1.5
121.10133	32.0
123.04418	2.2
123.08082	1.3
123.11701	15.5
125.09587	1.6
127.03919	11.8
129.05467	32.1
129.06958	1.4
131.03372	0.8
131.08559	10.6
133.10118	19.8
133.11069	1.4
135.08040	2.0
135.11682	16.7
137.05937	1.9
137.09633	1.3
137.13239	25.2
141.01825	18.8
141.02879	1.4
141.06993	0.7
142.07706	0.6
143.08554	4.1
144.09294	1.3
145.02846	0.6
145.04918	8.3
145.10110	15.0
146.08124	0.9
147.04420	4.0
147.06506	17.4
147.11678	17.5
149.06056	1.2
149.09637	1.8
149.13242	11.8
149.25577	0.6
151.03922	1.5
151.07475	0.8
151.11163	0.9
151.14838	2.1
153.05548	0.9
156.09193	0.8
157.10136	8.5
159.02904	6.2
159.11671	16.9
160.12463	1.0
161.05946	0.9
161.13242	17.6
162.05424	0.8
162.13794	0.7
163.03883	1.2
163.06007	10.7
163.07399	1.1
163.11160	1.6
163.14807	6.4
164.09187	2.4
165.05476	1.0
165.07597	1.7
167.07037	5.7
168.07411	0.8
169.10162	2.6
170.10936	0.9
171.06516	1.1
171.11662	7.2
173.13248	14.4
175.03844	1.0
175.11212	1.9
175.14792	11.8
175.16229	0.8
177.04015	1.1
177.05460	2.3
177.12781	8.1
177.16362	21.9
178.16751	0.9
179.14256	3.5
179.17905	0.9
181.04994	0.9
181.08592	0.6
183.11665	3.0
185.13277	5.9
187.11217	0.8
187.14778	8.3
189.12772	2.2
189.16370	15.2
191.14360	4.3
191.16136	1.2
191.17928	24.9
193.08624	1.1
193.12228	1.1
195.06374	0.9
195.11586	0.7
197.13277	2.4
199.11153	1.1
199.14845	5.5
201.12831	0.9
201.16371	11.4
203.14301	11.2
203.17934	24.9
205.08623	1.0
205.15895	1.9
205.19518	2.2
207.06503	2.8
207.13756	0.8
207.17409	1.5
209.13243	1.1
211.14821	2.0
213.07440	0.9
213.16316	4.9
215.14468	3.6
215.17914	7.8
217.15935	4.0
217.19427	4.0
219.17398	1.0
219.21048	1.3
221.15329	1.2
221.19061	0.9
225.16443	1.6
227.17944	2.3
229.15875	2.8
229.19469	3.4
231.17441	13.8
231.20990	3.7
233.15312	0.8
233.19060	0.8
239.17964	1.5
241.15891	1.4
241.19525	2.2
243.17513	5.9
243.21082	3.5
245.22758	1.1
247.16890	1.9
253.19373	0.9
255.06349	1.2
255.08713	2.1
255.17397	1.6
255.21008	2.4
257.18890	1.6
257.22678	1.7
259.20551	1.2
261.18457	9.5
267.21085	1.2
269.06454	1.1
269.19055	1.8
269.22601	1.8
271.20529	5.7
273.09756	3.0
273.18304	2.0
275.20062	2.2
283.05798	0.9
283.20560	2.8
285.21970	1.5
287.07730	3.1
287.19992	4.1
289.21622	9.9
291.10568	0.8
292.19730	0.8
301.07141	0.8
301.21497	3.5
305.08679	5.6
309.11792	6.3
313.06989	1.3
315.23114	3.5
321.07901	1.4
323.09540	2.1
325.06976	2.6
326.07428	0.8
326.14435	0.9
336.06470	1.2
339.08807	3.9
339.30383	1.3
351.08633	2.4
363.12256	1.0
369.09744	3.2
379.30197	1.5
381.13315	1.0
387.10803	3.2
393.13287	2.0
393.35135	4.2
403.33621	3.3
411.14294	2.3
412.14679	1.0
421.34619	95.9
422.34787	4.5
427.13937	0.7
439.35684	100.0
440.35904	4.7
513.11957	0.8
549.38867	1.2
615.39050	1.6
615.48889	0.8
651.15485	0.9
958.50970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05394	14.8
67.05797	2.5
69.03313	1.0
69.06957	2.7
69.07358	0.5
69.44894	2.4
70.06505	0.7
70.06857	0.4
71.04884	0.8
71.05237	0.3
72.08039	8.0
72.08485	1.2
77.03827	0.3
79.05368	14.6
79.05881	1.7
81.03292	12.9
81.03824	1.4
81.04078	0.5
81.06931	14.7
81.07462	1.7
83.04850	1.7
83.08492	2.4
85.02779	1.4
85.06440	0.6
89.03834	0.5
89.10664	1.0
91.05347	12.8
91.05974	1.3
93.06911	16.5
93.07547	1.4
95.04831	5.0
95.05468	0.3
95.08469	10.8
95.09139	1.0
95.98065	0.3
97.02768	1.7
97.06398	1.3
97.10023	2.0
98.05914	1.8
99.04391	0.3
99.08038	0.4
103.05321	1.2
103.05924	0.3
105.04431	0.4
105.06884	9.1
107.04813	0.9
107.08446	7.6
107.09599	0.3
109.06378	1.3
109.10009	5.9
109.10809	0.5
109.49184	0.3
111.07946	0.8
115.05309	0.9
115.08675	2.1
117.03256	0.4
117.07006	2.4
119.04844	0.6
119.08569	6.6
121.06396	0.8
121.10134	9.3
121.10922	0.5
122.10796	0.3
123.04322	0.7
123.07908	1.0
123.11543	1.7
125.09540	0.3
126.08969	0.3
128.06061	0.4
129.07001	2.3
131.04767	1.0
131.08557	4.6
132.09187	0.8
133.02702	0.6
133.06364	0.5
133.10097	4.9
134.73169	0.3
135.04268	1.0
135.07933	0.6
135.11682	1.8
137.09540	0.6
137.13098	0.6
141.06815	0.8
143.04761	0.9
143.08455	0.5
145.02704	1.1
145.06314	1.3
145.10117	1.6
147.04398	2.5
147.07928	0.7
147.11665	5.3
149.05948	1.5
149.09615	4.4
149.13077	1.0
150.10219	0.3
151.10999	1.2
153.06790	0.5
153.82823	0.3
155.04782	0.4
157.06468	2.3
157.09964	1.0
159.04402	5.0
159.07924	0.5
159.11542	0.7
161.02341	3.6
161.05980	1.4
161.13118	0.4
163.03888	17.5
165.05264	0.8
165.06827	0.7
165.12764	2.0
167.08391	0.5
169.06310	1.1
170.05188	0.3
171.04230	1.2
171.07870	1.0
173.02327	8.6
173.05951	4.7
173.13120	0.8
175.03862	1.9
175.07407	0.8
175.11023	1.1
177.05379	0.7
179.08434	0.6
181.06447	1.5
183.04343	0.6
183.07875	1.2
185.05930	3.2
187.03882	9.4
187.07388	1.4
189.05472	1.6
191.03259	0.4
193.12103	1.0
195.07938	0.6
197.05972	1.6
197.09494	0.7
197.12985	0.3
199.03868	5.6
199.07526	1.8
201.05461	4.2
201.09035	0.6
203.03224	1.2
203.06833	0.5
205.04811	0.5
205.09972	0.5
207.08064	0.4
209.09468	0.4
211.07494	1.6
211.13066	0.6
213.05449	11.5
213.08806	0.6
215.03288	0.5
215.06908	1.5
217.04848	1.1
221.09474	0.5
221.13124	0.4
223.07407	0.5
223.10980	0.8
225.05299	1.3
225.08960	0.8
227.07019	1.8
229.04764	1.1
229.08459	0.4
237.12590	0.8
239.06889	0.9
239.14127	1.2
241.04819	0.4
241.08408	0.7
241.12157	0.7
243.06432	0.3
247.10985	0.4
249.12714	0.7
251.06960	0.3
257.15219	0.3
261.21948	0.6
265.12244	1.4
267.13760	11.5
269.11551	0.3
283.13211	3.5
285.14819	2.5
293.11679	3.5
309.14761	1.1
311.12619	4.6
311.16342	1.3
313.14111	0.4
319.13071	0.5
327.15863	2.2
329.13739	0.4
335.25775	5.9
337.14359	2.7
355.11337	0.4
355.15390	7.2
357.17020	0.7
373.16367	0.6
402.22687	0.3
425.24405	0.3
429.19061	7.8
443.25256	1.3
444.23691	0.3
447.19867	0.9
461.26685	0.4
500.26205	0.6
517.29132	2.3
535.30212	2.1
554.06354	0.3
679.34534	0.5
689.40295	3.1
707.41400	4.7
777.50269	4.0
778.48749	1.0
795.51428	100.0
796.51318	2.8
837.52582	1.3
873.52454	1.8
903.52301	1.3
921.54523	1.4
939.55536	0.8
957.56683	35.5
958.56824	0.8
976.05042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.5
69.03426	5.1
70.06565	0.1
71.04987	1.3
72.08168	0.1
73.02914	2.1
79.05460	0.1
80.43185	0.1
81.03411	6.8
81.07055	0.2
83.01323	0.1
83.04974	1.8
85.02898	8.8
87.04470	0.4
91.03943	0.1
91.05463	0.5
93.07022	0.3
95.05013	0.3
95.08599	0.2
97.02885	5.5
98.20697	0.3
99.04446	9.6
103.03932	3.0
103.05436	0.2
105.07023	0.3
107.04935	0.5
109.02869	17.1
109.10152	0.1
111.04429	0.2
115.03925	0.4
119.04932	0.5
119.08598	0.2
121.02866	0.8
121.06513	0.2
121.10139	0.1
123.04420	0.1
123.08084	0.1
123.95511	0.1
125.02360	0.2
127.03906	44.6
128.04265	0.4
131.04893	0.3
133.02806	0.1
133.06413	0.1
133.10130	0.1
135.04387	0.2
137.06000	0.2
145.02959	0.2
145.04947	3.9
145.06230	0.2
145.06520	0.2
147.04384	0.6
151.03940	0.3
157.04962	0.4
159.04410	0.3
161.05992	0.2
163.06023	0.5
165.05574	0.2
167.07027	0.5
167.08458	0.2
168.06613	0.2
169.04953	0.8
169.06267	0.2
171.08055	0.2
177.05568	0.2
181.04945	0.2
181.06418	0.2
187.06000	1.5
189.05481	0.2
193.04892	0.2
195.08073	0.3
199.05978	0.2
199.07578	0.3
203.03372	0.2
203.06969	0.2
205.05272	0.2
205.07062	0.7
207.06442	0.2
209.04326	0.2
209.08017	0.2
213.05469	0.3
217.05031	0.3
227.06923	0.3
227.09067	0.2
229.05034	0.1
229.07091	0.4
229.63422	0.2
235.05969	0.6
245.07828	0.2
245.10054	0.2
246.10503	0.2
247.07915	0.2
253.07059	1.5
265.08643	0.3
271.08142	3.5
271.10983	0.2
274.09885	0.3
277.08609	0.2
281.07996	0.4
283.05896	0.4
289.09155	1.3
289.12146	0.2
293.08005	1.9
297.07642	0.5
299.10706	0.2
302.09387	0.4
303.10135	0.3
305.08157	0.3
306.08929	0.2
307.06094	0.3
307.09790	0.6
307.13190	0.2
309.07538	14.7
310.07675	0.3
317.11752	0.5
319.09509	0.3
320.06943	0.3
320.10406	0.2
321.07550	3.7
321.11221	0.8
323.08987	0.6
325.06845	0.2
327.09628	0.4
327.49179	0.1
329.08118	0.2
331.10028	0.3
333.07498	0.9
333.11148	0.2
334.08337	1.6
335.09091	1.8
335.12784	0.6
339.08472	0.5
345.11191	8.1
346.11502	0.2
347.09183	0.8
348.09872	2.1
349.10510	0.3
351.08575	0.3
362.11368	0.3
363.12231	37.0
364.12695	0.9
365.10007	0.7
366.11194	0.2
367.11359	0.1
375.12390	0.2
379.10968	0.2
380.12274	0.2
381.13293	100.0
382.13638	2.1
387.12485	0.3
397.11365	0.4
405.13336	0.4
411.14294	0.3
415.12323	1.2
423.14261	0.6
433.13483	0.4
451.13892	0.2
471.14227	0.4
489.15417	0.8
507.16684	0.8
525.17206	0.7
525.30328	0.1
541.16168	0.2
543.18683	2.8
589.21234	0.2
615.18732	0.8
625.22748	2.3
627.20776	1.4
633.19458	0.8
651.20679	8.8
652.20660	0.3
669.21747	2.0
687.22803	0.7
693.22418	0.1
729.23444	0.2
741.20837	0.3
759.21796	0.5
777.23816	4.2
795.10992	0.2
795.24878	3.3
813.26147	1.5
831.27155	1.1
862.25958	0.2
865.73627	0.1
921.96606	0.2
957.48169	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	956.52
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	6.1
69.03433	3.5
69.07061	6.2
70.06569	0.6
70.99920	0.7
71.00243	0.5
71.01348	1.1
71.04987	49.3
71.08608	0.6
72.08138	0.9
73.02912	5.2
74.09677	0.5
75.04472	5.0
79.05483	4.5
81.03422	2.0
81.07051	21.5
83.04974	40.2
83.08600	4.1
85.02897	100.0
86.06065	1.0
87.04459	2.3
90.46287	0.5
91.03948	10.6
91.05463	4.6
93.07038	10.7
95.01315	5.9
95.04964	1.7
95.08598	42.6
97.02877	10.8
97.06532	0.7
97.10161	2.9
99.00790	0.8
99.04447	2.2
101.02372	0.5
101.06013	1.1
103.03940	2.4
103.05444	0.6
105.07013	7.7
107.08586	21.3
109.02876	2.3
109.06517	0.8
109.10146	17.1
111.04434	26.7
111.11725	1.0
113.02363	1.3
115.03924	1.3
117.06982	1.1
119.04903	0.4
119.08569	13.3
121.06554	0.6
121.10133	18.4
123.04385	0.7
123.11691	9.2
125.02367	0.5
125.09665	0.8
127.03902	9.1
129.05469	52.5
131.03429	1.0
131.08560	4.7
133.10121	8.7
135.08104	0.5
135.11676	12.9
137.05977	1.0
137.13246	16.1
139.03966	0.8
139.07529	0.5
141.01814	25.0
143.08574	1.4
145.04947	8.3
145.10110	9.8
146.08078	0.8
147.04454	1.4
147.06506	21.4
147.11668	8.1
149.13257	5.6
151.03874	0.7
151.14818	1.6
155.08495	0.6
157.05005	0.4
157.10109	2.6
159.02879	8.4
159.11671	10.1
161.09711	0.5
161.13249	8.6
163.03975	0.7
163.06023	18.0
163.07373	0.8
163.14821	3.6
164.09198	2.1
165.07628	1.9
167.07048	0.8
169.10110	0.7
171.06528	1.0
171.11699	3.0
172.12416	0.6
173.13274	5.6
175.07561	0.5
175.14761	4.5
177.03986	1.5
177.05460	0.7
177.16367	5.7
179.10628	0.7
183.02855	0.5
183.11684	1.2
185.13266	4.3
187.14818	8.0
189.12770	1.4
189.16348	5.9
191.10680	1.0
191.17926	22.5
192.18198	0.7
193.12285	0.8
195.06416	0.5
197.13306	0.9
199.11171	0.5
199.14792	2.8
201.16376	12.2
203.10570	0.6
203.17964	7.0
205.12236	1.5
207.13829	2.5
211.14880	1.6
213.07520	0.6
213.16360	6.5
215.14447	0.6
215.17990	1.5
217.12279	0.6
217.19518	1.4
219.13794	3.2
221.15465	0.4
223.14815	0.4
225.16414	2.4
227.17929	1.8
229.19499	2.3
231.13821	1.7
231.17419	0.6
231.21117	1.6
233.15366	3.1
235.16931	0.5
237.07512	0.8
239.17883	1.3
241.19582	1.4
243.21143	0.6
245.15283	2.3
247.16905	9.3
249.18271	0.6
253.19533	0.8
255.08644	4.0
255.21069	1.4
257.15433	1.2
259.16910	13.6
260.17297	0.6
261.06155	0.5
261.18442	0.6
267.21042	1.0
269.06531	2.5
269.22684	1.2
271.16870	3.7
273.09656	4.2
273.18420	3.4
281.22565	0.5
285.18420	5.0
287.07593	6.2
287.20035	9.5
291.10641	1.2
299.20062	4.0
301.21573	0.7
303.07062	0.7
305.08646	8.5
309.11780	7.9
313.21695	4.4
321.08142	2.7
323.09641	2.3
327.23297	1.7
339.09036	3.9
339.22916	0.8
341.24881	0.6
353.24750	1.3
355.26324	0.5
356.11380	0.5
367.26279	1.2
379.11453	0.7
381.13342	0.7
381.27664	1.0
391.33563	1.8
395.29440	0.7
409.34625	0.7
411.14453	1.3
412.14868	0.7
435.32617	0.8
437.34128	99.1
438.34491	2.1
455.35153	6.0
478.36835	1.1
547.37592	0.7
631.37836	2.6
734.22888	0.4
743.33148	0.4
749.92969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.2
68.99783	0.1
69.03411	0.2
69.07051	0.1
70.06578	0.1
71.04977	0.3
71.63284	0.1
71.63641	0.1
72.08146	0.1
73.02908	0.1
77.03920	0.1
78.04697	0.8
79.05473	0.7
79.05888	0.1
81.03407	0.4
81.07043	0.4
83.04967	0.1
83.08605	0.1
83.64764	0.0
84.04446	0.0
84.08136	0.1
84.25687	0.0
85.02892	0.9
86.03212	0.1
87.04490	0.1
91.05454	0.5
93.03351	0.1
93.07039	0.4
95.04957	0.5
95.08583	0.3
96.05723	0.1
96.08121	0.1
97.02875	0.3
97.06551	0.1
97.10060	0.1
99.04461	0.1
103.05437	0.4
105.03356	0.1
105.07013	1.2
106.04156	0.4
107.04944	1.1
107.08517	0.3
108.08872	0.0
109.02832	0.3
109.06522	0.1
109.10120	0.2
110.36054	0.0
111.04467	0.1
111.08072	0.1
115.05393	0.2
117.06950	0.1
119.04929	0.2
119.08564	0.2
121.02858	0.1
121.06489	0.6
121.10132	0.2
122.03613	0.2
123.04409	2.5
123.11680	0.1
124.05190	1.0
125.05959	0.2
127.03894	0.5
129.05499	0.1
131.04837	0.1
131.05830	0.1
131.08582	0.1
133.06474	1.2
133.10150	0.2
134.03619	0.2
134.10420	0.1
135.04411	0.2
135.08066	0.2
135.11694	0.1
136.06198	0.1
137.05949	0.4
137.13252	0.1
138.05437	0.1
139.07539	0.1
140.04655	0.1
141.01797	0.1
145.02815	0.1
145.04906	0.1
145.06488	0.1
145.10097	0.1
146.99586	0.1
147.04369	0.3
147.08037	0.1
147.11664	0.1
149.05952	0.8
149.13278	0.1
151.03888	0.5
151.07520	0.2
152.04652	0.9
154.06206	0.1
155.07001	0.1
157.10172	0.1
159.07962	0.1
159.11691	0.1
161.05969	1.3
161.13184	0.1
163.07533	0.2
165.05522	0.1
165.09073	0.1
166.06210	0.2
167.07008	100.0
168.04124	0.1
168.07339	1.2
173.05948	0.1
173.13228	0.1
175.03864	0.1
175.07506	0.1
175.14946	0.1
177.05498	0.2
177.16383	0.1
178.06253	0.1
179.06989	0.4
181.08549	1.5
185.13281	0.1
187.07504	0.1
187.14839	0.1
189.05478	0.1
189.16472	0.1
191.06892	0.2
191.17880	0.1
193.08572	7.7
194.08904	0.1
195.10155	0.9
201.16391	0.1
203.18077	0.1
205.08565	0.1
207.06438	0.3
207.10106	0.1
211.09616	24.0
212.10071	0.3
217.08609	0.1
219.10217	0.1
221.11728	0.1
223.09641	0.1
231.10196	0.1
233.15254	0.1
235.09740	0.1
239.08978	0.1
241.10616	0.1
249.11157	0.2
253.10803	0.3
255.06511	0.1
271.06070	0.1
279.03723	0.1
289.10675	0.1
301.07275	0.1
309.07599	0.1
313.06876	0.1
319.11584	0.1
325.07037	0.1
337.13141	0.1
339.08743	0.1
339.12500	0.1
353.10272	0.1
359.14908	0.1
361.10416	0.1
363.12091	0.1
371.14743	0.1
379.11356	0.1
380.11902	0.1
381.13147	0.2
385.16428	0.3
403.17410	1.7
421.18539	0.4
423.36139	0.2
690.53851	0.1
701.08087	0.1
956.35382	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	955.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	1.2
69.03419	3.5
69.07047	0.6
69.94468	1.4
70.06561	0.7
71.04974	1.2
72.08126	0.4
73.02896	0.9
77.34740	0.2
79.05479	0.5
81.03407	4.9
81.07021	1.0
83.04982	1.7
83.08550	0.3
85.02889	4.8
87.04443	0.5
91.05476	2.0
93.07025	1.1
95.04948	0.6
95.08581	0.8
97.02879	3.3
97.06528	0.3
99.04436	5.1
103.03918	0.9
103.05435	1.1
105.00342	0.2
105.03354	0.4
105.06998	1.1
107.04945	0.8
107.08574	0.9
108.83852	0.2
109.02863	20.5
109.06493	0.4
109.10145	1.2
111.04447	0.7
115.03930	0.5
115.05426	0.3
117.03368	0.4
117.06993	0.7
119.04899	0.9
119.08548	0.8
121.02837	0.3
121.06413	0.3
121.10131	0.4
122.03677	0.3
123.04427	1.2
123.11703	0.2
125.02324	0.3
127.03899	26.0
128.06219	0.4
129.06975	1.2
130.05045	0.3
131.04901	1.3
131.08560	1.5
133.02843	0.4
133.06456	0.5
133.10129	1.0
134.03557	0.8
135.04370	0.6
135.08060	0.4
135.11696	0.3
137.02344	0.3
137.05949	1.2
141.06943	0.4
143.03433	0.3
143.08495	0.3
145.02794	0.3
145.04936	1.2
145.06429	0.7
145.10109	0.3
147.04405	1.8
147.08037	0.3
148.04771	0.3
149.05913	0.7
149.09514	0.3
149.13177	0.4
150.03117	0.6
151.03914	1.5
152.04646	0.8
153.05505	0.3
157.05179	0.3
157.06407	1.4
158.07243	0.4
159.04396	6.8
159.08018	1.1
159.11633	0.4
161.06000	0.5
163.03876	0.5
163.07486	0.5
165.05460	2.1
167.07050	2.4
169.06386	0.3
171.04344	0.4
171.08012	0.7
173.05969	0.4
175.03944	0.7
175.07501	0.2
175.14836	0.4
177.05493	1.2
185.05940	1.1
186.06764	0.6
187.05898	0.5
187.07515	6.3
189.05470	2.7
191.14288	0.3
197.06017	0.3
199.07486	0.5
201.05399	0.5
203.06981	0.5
205.04970	0.5
205.08633	0.3
207.06520	1.2
213.05443	23.1
214.05766	0.6
215.06929	0.5
215.10309	0.3
217.04965	0.4
225.05573	0.4
227.06990	0.6
227.09073	0.3
231.06528	2.0
245.09651	0.3
247.07497	0.3
253.07030	0.4
255.06476	0.5
257.08121	0.4
261.09222	0.4
265.08743	0.3
269.06543	0.9
271.05582	0.3
271.08105	0.8
273.09268	0.2
279.10165	0.2
283.05893	0.4
287.07614	1.0
289.08578	1.1
290.09277	1.0
291.10034	0.4
292.07056	0.4
293.08051	0.8
295.06216	0.5
298.04651	0.3
305.08264	0.3
307.06104	0.6
307.09644	0.9
308.10208	0.4
309.07623	0.3
310.04630	1.9
313.07108	0.7
317.08032	0.4
318.08884	2.0
319.09546	0.7
320.06580	0.3
321.07480	1.5
321.10992	0.3
322.04761	0.5
322.08359	0.6
323.05420	1.9
323.09073	0.7
324.06100	0.4
325.07034	3.7
329.08020	0.3
333.11133	0.8
334.08429	0.5
335.09167	1.1
336.06232	0.7
336.09930	1.3
337.06995	2.3
337.10751	1.5
338.07629	0.3
339.08511	0.5
346.08322	13.7
347.08841	1.2
349.06958	1.1
349.10706	0.5
350.07553	0.3
351.08566	2.2
351.12265	0.4
359.09137	0.5
361.10657	14.7
362.11255	0.5
363.08487	3.0
363.12253	0.5
364.09354	16.5
365.09982	1.0
366.10855	0.5
367.11819	1.6
369.11807	0.3
377.10193	1.0
378.10672	0.4
379.11707	100.0
380.12119	3.8
381.13284	24.8
382.13556	0.6
391.11865	0.9
393.13492	1.4
403.11877	0.5
409.12766	1.1
411.14203	0.5
413.10538	0.6
419.10934	0.3
421.12622	1.8
430.32095	0.3
431.14890	0.3
433.12616	0.4
445.12720	0.4
449.11978	0.3
451.13809	0.4
454.10568	0.6
457.12814	0.4
459.14319	1.6
463.13547	0.4
469.12921	3.6
475.13977	1.5
487.13815	6.9
488.13916	0.3
505.14890	9.0
506.15250	0.4
523.15997	3.1
541.17017	12.1
542.16998	0.5
623.21136	8.4
624.21185	0.4
625.19055	4.9
631.17896	0.6
649.19049	11.8
650.19257	0.4
667.20142	12.5
685.21161	12.7
686.21234	0.7
709.20697	1.1
727.22235	2.0
747.22821	1.4
749.24304	0.7
757.21228	1.9
765.23547	0.8
775.08923	0.3
775.22296	5.4
776.21906	0.4
785.26599	0.3
793.23096	8.2
794.23694	0.5
811.24231	10.7
812.24683	0.4
829.25275	5.2
830.25659	0.4
851.45300	0.4
954.53906	0.3
955.31543	0.4
955.50092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.1
69.03421	3.2
69.07052	0.8
70.06573	0.6
71.04974	1.0
71.63315	0.2
71.63747	0.4
72.08147	0.3
73.02911	1.2
79.05486	0.7
81.03407	4.8
81.07027	1.0
83.04963	1.5
85.02888	5.9
87.00793	0.3
87.04432	0.5
87.38808	0.2
89.03892	0.4
91.05471	1.3
93.03372	0.2
93.07033	0.7
95.04956	0.6
95.08587	1.0
97.02883	3.5
99.04442	6.1
103.03918	1.4
103.05462	0.4
105.07027	1.3
107.04948	0.7
107.08570	0.5
109.02863	16.9
109.06506	0.4
109.10155	0.6
110.03206	0.3
111.04412	0.5
112.07543	0.3
115.03893	0.5
115.05457	0.4
117.03343	0.5
117.06997	0.3
119.04922	0.7
119.08556	0.7
121.06513	0.5
121.10107	0.6
123.04408	0.8
123.08044	0.2
125.02330	0.4
125.05956	0.3
127.03898	36.1
128.04243	1.0
128.06140	0.2
129.04446	0.2
129.06963	0.4
133.10133	0.5
134.03610	2.7
135.04375	0.6
135.08081	0.3
137.02301	0.3
137.05927	1.1
141.01817	0.3
143.03342	0.5
145.02823	0.4
145.04935	2.0
145.06076	0.2
145.06477	0.2
145.10106	0.2
147.04378	1.3
147.08011	0.3
149.05991	0.5
151.03867	0.7
151.07590	0.3
153.01781	0.2
157.06467	0.2
157.10220	0.2
161.04492	0.4
161.05965	0.5
163.03914	0.7
165.05428	0.3
167.07004	2.1
171.04402	0.3
175.03888	1.0
175.07466	0.5
177.05446	0.5
185.05975	0.4
187.03976	0.2
187.06000	0.7
187.07571	0.4
189.01813	0.9
189.05429	2.1
197.05991	0.3
201.05522	0.3
202.07881	0.3
205.04912	0.4
205.06947	0.5
207.02919	1.0
207.06435	1.5
212.04689	0.3
213.05487	0.7
217.10172	0.4
219.08044	0.4
225.05450	0.3
227.07079	0.3
227.09084	0.3
230.05649	0.5
231.06479	0.5
233.04205	0.3
233.09644	0.5
235.05925	0.4
243.06427	0.5
245.09673	1.9
247.07578	0.8
253.07083	0.9
255.06380	0.4
261.09116	0.8
262.09872	0.6
263.06952	0.3
269.06586	0.7
271.08231	1.2
272.08301	0.3
273.06506	0.3
273.08994	1.6
275.07071	0.7
276.07755	0.3
279.06302	0.3
283.06064	0.6
285.07629	0.3
287.07547	1.4
289.08658	1.9
290.09332	1.3
291.10178	0.4
293.04443	0.3
293.07883	0.5
294.05414	0.2
294.08621	0.3
295.06015	0.3
297.07468	0.3
299.05652	0.3
300.07529	0.3
301.08633	2.1
303.06613	0.5
305.08258	0.3
305.11664	0.9
307.06226	0.3
307.09647	0.6
309.07803	0.6
309.11005	0.3
310.04663	2.9
311.05203	0.4
313.07205	0.5
317.07996	0.9
318.08853	5.2
319.09601	0.5
321.07553	0.9
322.04669	1.3
322.08276	1.1
323.05411	0.9
323.08844	0.5
324.06070	0.4
325.07025	5.9
327.08759	0.4
328.07407	0.3
329.07999	2.4
330.08881	0.4
331.09442	0.4
333.11182	6.3
335.05508	0.3
335.09082	0.8
336.06277	0.4
336.09885	1.3
337.06982	1.4
337.10684	2.1
339.08438	1.1
343.09467	0.4
345.07639	1.8
346.08298	11.6
347.09079	0.6
349.07050	0.6
351.08594	0.9
351.12378	0.3
359.08972	0.4
361.10645	29.6
362.11035	0.8
363.08493	1.7
363.12299	0.5
364.09341	10.3
365.09988	0.6
366.10858	0.5
367.11673	1.0
369.11844	0.3
371.09592	0.4
377.09760	0.5
379.11707	100.0
380.12061	3.2
381.13287	21.4
382.13690	0.6
391.11960	0.5
393.13297	1.0
395.10883	0.3
397.12112	0.4
403.11923	0.3
405.09396	0.4
409.12955	0.5
411.14496	0.4
413.10751	1.1
421.12646	1.6
436.09247	0.2
455.17624	0.3
469.12695	0.4
475.13760	0.5
487.13879	1.8
505.15012	1.2
523.15906	2.2
539.13739	0.5
541.16980	8.1
542.17651	0.3
575.15894	0.5
605.20013	0.4
623.21118	11.6
624.21234	0.6
625.19000	3.8
631.18103	0.6
649.19055	16.8
650.19391	0.7
651.20532	0.4
667.20056	9.9
668.19714	0.5
685.10052	0.3
685.21136	5.4
691.19696	0.3
709.21112	0.7
727.21991	1.3
757.20630	0.5
775.22028	2.0
793.23218	3.5
811.24274	9.6
812.24335	0.5
829.25336	10.6
830.24707	0.7
955.48865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	78.4
69.03429	3.2
69.07062	17.8
69.96205	2.4
69.96611	1.4
71.04985	3.0
71.08618	0.9
73.02914	5.3
77.03922	0.8
79.05485	45.3
81.03423	1.7
81.07049	76.0
83.04954	2.3
83.08609	10.4
85.02893	22.7
85.06530	1.8
91.03943	14.9
91.05470	31.4
93.07034	60.3
95.04965	6.7
95.08595	63.0
97.02876	10.7
97.06546	3.8
97.10169	5.0
99.04416	1.8
99.08070	1.7
105.06291	0.7
105.07020	25.5
107.08584	33.4
109.06505	2.2
109.10143	29.6
109.10908	1.0
111.08053	2.3
113.09637	0.8
115.03906	1.2
115.05421	0.7
117.06998	9.5
119.08569	24.7
121.10130	30.6
123.08047	2.0
123.11687	11.7
125.09612	1.3
127.03911	6.4
129.07002	1.8
131.08554	17.2
133.10114	20.7
134.43289	0.6
135.11679	21.8
135.12703	1.4
137.09607	1.4
137.13268	3.6
139.11151	0.8
142.07750	0.7
143.08588	2.9
145.04947	6.6
145.10104	13.7
147.11676	15.2
149.09608	1.4
149.13251	12.5
149.56079	0.6
151.11168	0.8
151.14763	0.9
155.08563	0.8
157.10109	3.6
159.11674	13.1
161.13232	11.1
163.06001	7.8
163.14790	6.0
165.12785	0.6
165.16360	0.7
169.10112	1.4
171.11661	4.2
173.13249	10.2
175.14807	5.0
177.12753	0.9
177.16345	3.3
183.11646	1.2
185.13284	3.1
187.14792	5.4
189.16527	1.1
191.17879	0.7
199.14824	1.9
201.16393	2.3
205.15955	0.8
213.16409	1.3
215.17831	1.1
217.19530	0.9
231.21025	0.7
233.19116	0.9
233.22546	0.7
235.17036	0.6
241.19603	4.4
243.21078	5.8
247.20416	0.8
259.20563	11.3
261.22125	19.6
263.23599	2.1
279.23218	0.9
285.22186	1.0
291.23117	0.9
299.23495	0.8
301.25211	0.7
306.10898	0.7
313.25330	0.7
315.22998	1.1
317.24811	3.5
317.27972	0.7
321.24362	0.7
333.24222	8.6
335.25766	100.0
336.26196	1.3
337.27341	14.3
361.27505	0.6
472.33646	0.7
489.36053	0.9
503.36548	1.0
503.42841	1.0
521.43726	3.3
539.44318	1.0
540.38776	0.7
543.39703	0.9
595.47174	17.9
613.48218	29.6
613.58264	1.4
800.55823	0.7
867.90820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.3
69.03417	4.3
69.07066	0.1
69.45543	0.9
70.06583	0.7
71.01348	0.2
71.04980	1.2
73.02904	2.3
79.05484	0.3
81.03404	7.8
81.07052	0.3
83.01336	0.1
83.04967	1.1
84.08150	0.1
85.02890	11.6
87.00837	0.1
87.04444	0.5
91.03923	0.1
91.05452	0.5
93.07046	0.3
94.04180	0.2
95.04998	0.5
95.05463	0.1
95.08590	0.3
97.02874	7.2
98.20644	0.1
99.04436	11.4
101.02383	0.1
103.03925	6.4
103.05410	1.0
105.07028	0.6
107.04931	0.3
107.08572	0.3
109.02860	14.8
109.06532	0.2
109.10136	0.2
111.04419	0.6
113.02376	0.1
114.84791	0.1
115.03911	0.6
115.05452	0.1
117.05495	0.2
117.07021	0.1
119.04931	0.3
119.08539	0.2
121.06509	0.2
121.10103	0.2
122.03642	0.6
123.04418	0.6
123.07981	0.1
123.11684	0.1
124.45798	0.1
125.02335	0.4
125.05978	0.1
127.03894	100.0
128.04221	0.5
131.04904	2.6
131.08517	0.1
133.06467	0.4
133.10025	0.1
135.04404	0.3
135.11690	0.2
136.07613	0.1
137.05952	15.8
138.06300	0.1
139.03877	0.3
140.07028	0.1
141.07074	0.1
143.08568	0.1
144.08034	0.1
145.04933	9.8
145.10124	0.1
147.04428	0.4
149.05969	0.2
151.03960	0.5
151.07518	0.7
154.08630	0.1
155.08624	0.1
157.05003	0.5
157.06177	0.1
159.04312	0.1
159.11632	0.2
160.05238	0.1
161.05956	0.5
161.09444	0.1
161.13235	0.1
161.25713	0.1
163.03882	0.3
163.06001	1.8
163.07516	2.2
165.05426	0.2
165.09085	0.3
167.07036	0.8
168.07561	0.1
169.04935	1.3
171.04320	0.1
173.04425	0.2
173.05951	0.1
175.03882	0.3
175.07494	0.5
175.14731	0.1
177.05450	0.3
177.09071	0.2
179.06993	0.3
181.04932	0.3
181.06361	0.1
181.06709	0.1
181.08553	1.9
183.07990	0.1
185.05943	0.1
187.05992	3.7
187.07454	0.2
189.05418	0.3
189.09033	0.2
191.07059	0.2
193.04967	0.4
193.06552	0.1
193.08620	0.2
195.08092	0.1
199.05989	0.6
199.07527	0.2
201.09192	0.1
203.07008	0.2
205.04909	0.3
205.07030	1.2
205.08650	0.3
207.06421	0.5
209.08015	0.7
210.06944	0.1
211.05972	0.4
211.07713	0.2
213.05647	0.1
213.08965	0.1
215.07109	0.2
215.10614	0.1
217.04971	0.3
217.08630	0.2
219.06432	0.1
223.05832	0.1
223.09618	0.2
227.09032	0.2
229.06818	0.9
235.05965	1.2
235.09511	0.1
237.02946	0.1
239.07114	0.1
241.08615	0.3
243.10196	0.3
243.61438	0.1
245.07925	0.3
245.10196	0.3
247.07930	0.4
253.06953	2.9
255.06570	0.2
261.11258	0.1
265.10602	0.1
271.08020	7.1
279.03903	0.1
285.07605	0.1
286.07767	0.1
289.08810	3.2
307.10669	0.4
313.09152	0.3
325.07004	0.2
331.10178	0.3
335.08954	0.2
337.06934	0.2
339.08517	0.1
349.11465	0.3
355.10413	0.2
361.09470	0.2
367.13910	0.1
373.11456	0.3
379.10373	0.7
391.12241	0.1
393.13174	0.3
395.10794	0.1
397.11279	1.6
411.14392	0.6
415.12292	3.4
416.12299	0.1
425.37039	0.1
433.13428	1.6
451.14941	0.4
541.15454	0.7
577.18347	0.6
595.19873	0.2
807.97559	0.1
834.89612	0.1
951.27533	0.5
951.45331	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	949.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	0.4
67.32316	0.2
69.03426	4.3
69.31548	0.6
69.31976	1.4
70.06567	0.4
71.04993	0.8
72.08131	0.4
73.02904	0.9
77.03877	0.2
79.05470	0.6
81.03410	4.1
81.07043	0.4
83.01323	0.6
83.04978	1.3
84.08141	0.5
85.02895	6.8
87.04443	0.5
87.46992	0.2
91.05474	1.4
93.07028	0.7
95.04960	0.7
95.08556	0.2
97.02880	45.0
98.03210	0.2
98.09669	0.3
99.04446	8.1
101.02355	0.3
103.03927	2.5
103.05435	0.5
105.07021	1.4
107.04947	0.4
109.02107	0.4
109.02866	7.9
109.06539	0.4
111.04427	1.2
113.02328	0.2
115.03919	7.2
117.05545	0.2
119.04935	0.8
121.02869	0.3
121.06536	0.9
123.04406	0.8
123.08046	0.5
125.02369	0.4
125.05897	0.2
126.01001	0.2
127.03902	100.0
128.04227	0.6
129.05371	0.2
131.04906	0.5
133.04933	0.2
133.06470	0.6
135.04387	0.5
137.02330	0.4
137.05986	0.4
138.57433	0.2
139.03880	1.6
141.05429	0.2
143.03391	0.3
145.02820	0.2
145.04935	2.6
147.04381	1.4
149.05951	1.1
151.03886	0.8
151.07494	1.1
153.05421	0.3
157.04929	2.4
159.04408	0.4
161.04649	0.3
161.05954	1.4
163.03876	0.5
163.06047	0.3
165.05466	0.5
167.07042	0.8
169.04961	0.7
173.04378	0.3
175.03947	0.4
175.05988	0.6
177.05447	2.4
179.06958	0.8
181.04918	1.8
187.04442	0.2
187.05975	1.1
193.04953	2.3
195.06516	0.5
197.08066	1.5
199.06032	1.5
205.04951	4.5
205.07022	0.9
207.06534	0.3
209.08084	0.2
211.05971	0.5
223.05980	8.2
229.07057	0.8
235.05951	0.2
241.07039	12.0
247.08151	0.4
253.07019	0.9
257.06442	0.4
259.08105	6.4
271.05612	0.2
271.08209	1.8
277.09195	0.4
283.08215	0.3
289.09137	3.5
301.09286	0.4
319.10025	0.4
331.07764	0.2
337.06851	0.3
337.11264	0.2
349.09146	0.7
355.10147	0.3
367.10193	2.9
373.11261	0.8
385.11319	3.4
403.12329	4.8
415.12457	0.4
421.13385	7.6
427.09879	0.2
475.26593	0.2
499.14722	1.0
517.15533	0.9
529.15491	2.3
535.16486	1.3
537.49951	0.2
547.16461	2.3
565.17010	0.4
707.76587	0.2
769.32837	0.2
949.36945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.5
68.99779	0.3
69.03421	5.5
69.07069	0.3
70.06573	0.6
71.04993	1.5
71.61372	0.2
71.61777	0.2
72.08157	0.3
73.02909	2.9
75.04464	0.6
79.05488	0.8
81.03410	9.1
81.07045	0.9
83.04972	1.7
84.04469	0.2
84.08129	0.3
85.02897	13.2
85.06542	0.2
86.09714	0.2
87.04470	0.8
91.03969	0.2
91.05468	1.1
93.07031	0.7
95.04953	0.8
95.08589	1.2
97.02883	8.5
97.06522	0.2
99.04448	13.0
103.03934	5.8
103.04623	0.3
103.05421	0.2
105.07029	0.9
107.04932	0.5
107.08552	1.0
108.16524	0.2
109.02871	17.2
109.06538	0.3
109.10154	0.7
110.03683	0.2
111.04433	0.7
112.07554	0.2
115.03924	0.5
117.05514	0.2
117.06993	0.3
119.04942	0.7
119.08566	0.8
121.02846	0.3
121.06510	0.4
121.10150	0.7
123.04439	0.9
123.08165	0.2
123.11685	0.3
125.02361	0.4
125.05956	0.3
127.03905	100.0
128.04214	0.5
129.05444	0.5
129.07033	0.2
131.04883	0.3
131.08604	0.4
133.02789	0.2
133.06424	0.4
133.10123	0.6
134.03664	0.2
135.04428	0.4
135.08044	0.3
135.11713	0.4
137.02312	0.4
137.05974	0.9
137.09676	0.3
137.13197	0.2
138.05458	0.3
141.01828	0.4
143.08513	0.3
145.04944	10.4
145.10086	0.4
147.04378	1.5
147.06473	0.3
147.11678	0.6
149.05988	0.5
149.13293	0.4
151.03885	0.8
151.07487	0.2
153.01811	0.4
153.12798	0.2
157.04999	0.5
159.11691	0.3
161.02281	0.2
161.05975	0.5
162.09161	0.2
162.52692	0.2
163.03899	0.4
163.06001	1.6
163.07440	0.3
163.11192	0.2
165.05492	0.3
165.09015	0.3
166.08574	0.2
167.07036	2.1
169.04915	1.1
171.02927	0.2
173.13248	0.5
175.03931	0.7
175.14763	0.3
177.01839	0.6
177.05486	0.5
179.03354	0.3
179.06995	0.2
180.10149	0.3
181.04932	0.4
181.08556	0.2
187.06017	3.5
189.01820	0.3
189.05412	0.4
189.09009	0.3
191.03389	0.2
191.06952	0.3
191.17941	0.5
193.04884	0.4
193.08578	0.5
195.06514	0.2
199.03885	0.2
199.06012	0.5
202.02620	1.2
203.03375	0.5
205.01303	1.3
205.05078	0.4
205.07051	1.2
207.06436	1.4
207.08156	0.2
208.06938	0.3
209.08063	0.8
211.05978	0.5
217.04984	0.5
220.03664	2.4
221.04388	1.0
227.09120	0.3
229.07092	0.7
235.05843	1.1
238.04695	1.5
239.07141	0.2
243.10378	0.2
247.07944	0.5
251.06876	0.3
252.07858	0.5
253.07011	3.0
255.06505	0.8
263.06955	0.6
265.04941	0.4
267.06470	0.3
269.04614	0.2
270.08719	0.2
271.08173	7.0
279.06516	0.4
280.07281	0.4
281.08044	0.4
283.05963	0.9
285.07532	0.7
289.09103	3.6
291.06512	1.3
293.04446	0.3
294.05206	0.9
295.06042	0.6
295.09439	0.2
297.07657	0.4
298.08224	0.5
299.05316	0.9
306.05179	0.7
307.06070	0.2
307.10068	0.5
308.06775	0.8
309.07574	2.7
311.05408	2.6
312.05856	0.2
315.08707	0.2
318.05273	0.6
319.06128	1.6
321.03946	0.3
321.07419	0.3
322.04742	1.0
323.05450	1.3
323.08969	0.5
324.06311	0.2
325.06894	0.5
326.07880	0.4
335.05481	0.3
336.06244	6.0
336.10342	0.3
337.06985	3.5
338.07681	0.2
339.04913	2.5
339.08591	0.5
341.10150	0.4
349.07129	0.3
349.11206	0.3
350.07553	0.2
351.08594	51.7
352.08868	0.9
353.10107	0.4
354.07272	3.0
363.08545	0.5
367.11737	0.3
369.09650	54.0
370.09937	0.8
375.08636	0.2
377.06671	0.3
379.10361	0.7
379.64465	0.2
386.16296	0.2
393.09692	0.9
397.11279	1.1
415.12314	3.6
423.36380	0.2
427.13553	0.3
433.13452	1.0
451.14355	0.3
459.11038	1.1
477.11789	0.8
495.13068	0.3
513.13556	0.4
541.15503	0.6
577.17438	0.4
595.17542	0.2
603.15399	0.3
621.15649	0.4
762.88745	0.2
765.19049	0.5
800.08826	0.2
801.22565	0.2
945.33289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	8.6
68.99809	0.4
69.03427	2.9
69.06710	0.6
69.07063	9.2
69.07440	0.5
69.81481	0.3
69.81810	2.2
71.01360	1.6
71.04987	51.8
71.08614	0.5
73.02534	0.6
73.02905	5.3
75.04474	5.9
76.60709	0.3
77.03891	0.4
79.05485	4.6
80.15771	0.3
81.03426	2.1
81.07050	25.5
83.01333	0.5
83.04974	20.1
83.08614	6.5
85.02898	100.0
85.06507	0.4
86.06065	0.9
87.04469	2.0
91.03946	9.8
91.05468	4.2
93.06456	0.7
93.07037	13.1
94.33101	0.3
95.01315	6.5
95.04969	1.3
95.08599	49.1
96.08925	0.5
97.02882	9.3
97.06517	0.4
97.10167	3.7
99.00827	0.9
99.04449	1.9
99.08090	0.5
101.02379	0.8
101.06008	1.1
103.03928	2.5
105.06380	0.3
105.07019	9.0
107.04965	0.4
107.08586	23.0
109.02863	2.1
109.06511	1.6
109.10149	28.5
111.04436	21.1
111.08058	0.6
111.11697	2.0
113.02345	1.8
115.03918	1.0
117.07016	1.4
119.08568	13.7
121.06528	0.4
121.10132	24.5
123.04436	0.8
123.08166	0.4
123.10798	0.8
123.11700	16.1
125.02352	0.3
125.09605	0.6
125.13256	0.7
126.93135	0.3
127.03909	9.4
129.05467	44.3
131.03400	0.7
131.08568	5.1
133.10117	13.5
135.04468	0.5
135.11684	16.1
137.02281	0.4
137.09583	0.5
137.13242	16.8
139.03857	0.7
139.11179	1.5
139.78568	0.3
141.01816	30.2
143.08542	0.8
144.09346	0.4
145.04951	10.1
145.10104	6.2
146.08113	0.9
147.06508	31.7
147.11681	8.8
149.13243	18.0
151.03923	0.4
151.11118	0.5
151.14822	1.1
153.05385	0.4
153.12675	0.3
157.05034	0.6
157.10136	1.5
159.02875	12.9
159.11694	7.7
161.05949	0.3
161.13248	11.4
163.06004	22.3
163.11189	1.1
163.14807	8.4
164.09192	2.4
165.01770	0.4
165.07613	3.5
165.12750	0.8
167.07036	0.4
167.14285	0.4
169.04994	0.6
171.06549	1.0
171.11703	1.3
173.04407	0.5
173.13243	5.5
174.13824	0.4
175.14810	9.3
177.03940	2.4
177.05460	0.8
177.12816	0.7
177.16374	15.7
179.17891	2.0
180.08778	0.3
183.02840	0.4
185.13197	0.9
187.14818	4.2
188.09195	0.9
189.07594	0.5
189.16374	8.6
191.14272	0.5
191.17924	14.0
193.15855	0.8
193.19569	0.5
195.06535	0.4
199.14832	0.9
200.15617	0.4
201.03838	0.4
201.16371	6.3
203.17938	11.8
205.16142	0.7
205.19508	17.6
207.17416	1.9
213.04015	0.4
213.07558	1.1
213.16380	1.0
215.17943	9.4
217.19508	10.7
219.17453	3.4
219.20981	2.5
221.19026	2.9
225.07547	0.8
227.17892	1.9
229.19495	11.6
231.08633	0.9
231.21027	3.2
233.18979	7.6
235.20587	0.5
237.07619	0.5
241.07115	0.4
241.19533	1.1
243.08672	0.5
243.21062	2.3
245.18906	0.5
245.22603	2.0
247.20572	4.3
255.08592	5.4
255.21068	2.4
257.22595	3.8
259.08118	0.7
259.20609	0.7
259.24152	0.4
261.06091	0.3
261.22110	0.5
269.06573	3.4
269.22595	2.9
271.24301	1.5
273.09644	6.6
273.22043	1.9
275.23685	4.3
283.24197	1.4
285.06052	1.0
287.07608	8.2
287.23703	1.7
291.10669	1.6
297.25793	1.0
301.25235	1.2
303.07208	1.0
305.08646	16.3
309.11783	14.6
309.14548	0.3
313.28949	1.6
321.08133	3.8
323.09702	5.8
323.27402	0.4
339.09167	6.1
353.31940	1.9
367.33307	0.4
407.36700	26.3
408.37033	0.7
425.37750	85.9
426.38153	1.4
431.11713	0.9
670.93298	0.4
672.66638	0.3
976.65070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05160	0.6
67.05501	8.7
67.77000	0.3
69.03416	4.0
69.07061	8.8
69.57716	2.2
69.58138	0.6
71.01345	2.1
71.04986	45.9
71.08620	0.7
73.02914	3.1
75.04047	0.3
75.04473	6.3
76.41607	0.3
79.05479	5.1
81.03430	1.8
81.07049	28.8
83.04233	0.4
83.04467	0.7
83.04975	21.1
83.08609	6.0
85.02896	100.0
85.06525	0.6
85.10175	0.4
86.06064	0.5
87.04464	2.1
91.03972	1.6
91.05463	4.4
93.06448	0.7
93.07037	12.8
95.01313	6.8
95.04961	1.2
95.08596	52.8
96.08939	0.4
97.02881	10.5
97.06550	0.5
97.10158	3.4
99.00795	0.4
99.04457	2.2
99.08065	0.5
101.02359	0.6
101.06005	1.5
103.03947	2.4
105.07020	10.3
107.04999	0.4
107.08583	24.9
109.02857	2.9
109.06502	0.8
109.10145	32.0
111.04432	21.6
111.08121	0.7
111.11739	1.6
113.02363	1.9
113.09645	0.7
115.03943	0.8
117.05423	0.4
117.07020	1.3
119.08566	13.3
121.02799	0.3
121.10129	26.9
123.00758	0.4
123.04401	0.5
123.11693	16.8
125.02368	0.5
125.09614	1.2
125.13278	0.4
127.03905	8.9
129.05469	40.7
131.03401	0.8
131.08546	5.4
133.10120	14.4
135.04448	0.4
135.11682	18.8
137.02293	0.5
137.09616	1.0
137.13245	18.7
139.11159	1.6
141.01813	30.1
143.08525	0.9
145.04950	12.9
145.10110	6.4
146.08156	0.9
147.06506	26.3
147.11670	9.8
149.05937	0.4
149.13242	19.9
151.03946	0.7
151.11151	0.7
151.14815	1.7
153.12770	0.6
156.09470	0.3
157.05019	0.6
157.10091	1.1
158.10876	0.8
159.02879	11.4
159.11681	8.4
161.13243	12.6
163.06013	5.8
163.11150	1.2
163.14816	8.4
164.09169	3.3
164.20430	0.3
165.01814	0.7
165.05530	0.4
165.07530	2.3
165.12730	1.1
165.16331	0.4
167.07030	0.9
167.14310	0.7
169.04955	0.6
171.06528	1.2
171.11693	1.0
173.13251	7.1
174.13913	0.4
175.14807	11.1
177.03941	2.0
177.05278	0.4
177.12776	0.9
177.16376	17.2
179.17929	1.3
183.02914	1.0
185.13240	1.0
187.14813	5.4
188.09148	0.7
189.16359	10.2
191.14299	0.6
191.17931	14.1
193.15829	0.6
193.19507	0.5
195.06569	0.6
199.14796	1.4
199.67836	0.3
201.03984	0.4
201.16357	8.2
203.16023	0.5
203.17921	11.2
205.15854	1.0
205.19495	16.2
207.06364	0.4
207.17447	2.8
211.06126	0.5
213.04036	0.4
213.07603	0.4
213.16356	1.3
215.17929	9.5
217.19510	10.1
219.17447	4.1
219.20995	2.3
221.19048	2.6
225.07558	0.8
227.17928	2.0
229.19485	10.3
231.04970	0.4
231.08595	1.3
231.21022	3.2
233.18991	6.6
235.20540	0.6
237.07635	1.5
241.07088	0.9
241.19579	1.2
243.21016	2.0
245.18944	1.6
245.22560	2.2
247.20569	3.7
251.05568	0.5
255.08580	3.7
255.21095	2.2
257.22620	4.8
259.08038	0.8
259.20657	0.7
259.24194	0.4
261.22260	0.4
269.06555	3.2
269.22629	3.1
271.24176	1.3
273.09656	6.4
273.22186	1.6
275.23666	3.3
283.24274	1.6
285.06259	0.5
287.07596	7.0
287.23721	1.6
291.10757	0.6
295.24228	0.4
297.25757	1.0
301.25256	1.1
305.08649	14.9
309.11774	10.9
313.28857	1.4
321.08136	5.9
323.09680	6.1
326.14334	0.5
330.81140	0.3
339.08774	1.4
353.32037	1.9
393.13321	0.4
407.36673	23.5
408.36996	0.5
411.14188	0.5
425.37741	66.3
426.38046	1.3
431.11829	0.6
467.13504	0.5
581.78625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	12.0
68.99793	0.6
69.03423	4.2
69.07065	10.0
69.36206	3.3
69.36642	1.6
70.06581	0.8
71.01344	2.8
71.04987	36.4
71.08628	0.6
73.02916	6.4
75.04474	5.7
77.03889	0.5
79.05487	7.4
79.05900	0.8
81.03413	2.7
81.07050	27.0
83.01316	0.8
83.04977	14.8
83.08617	7.1
85.02898	85.5
85.06525	0.6
86.03223	0.7
86.06054	1.0
87.00806	0.5
87.04459	2.2
91.03944	5.4
91.05471	8.2
93.07037	18.8
95.01321	17.7
95.04980	2.5
95.08598	59.3
97.02879	10.7
97.06529	1.0
97.10160	2.6
99.00830	1.5
99.04446	2.1
99.08083	1.2
101.02363	1.2
101.06017	0.7
103.03944	3.7
103.05463	0.5
105.07018	19.7
107.04955	0.7
107.08583	33.9
109.02853	3.6
109.06509	2.1
109.10144	41.7
111.04431	11.8
111.08070	10.6
111.11705	1.9
113.02383	2.9
113.09664	0.7
115.03919	1.4
117.07031	1.9
119.04952	0.7
119.08573	29.5
121.06534	0.5
121.10131	34.1
123.00758	1.0
123.04425	1.5
123.08068	1.0
123.11696	17.4
125.02298	0.5
125.09602	2.5
127.03909	8.8
129.05475	24.5
129.07001	0.8
130.07722	0.6
131.03410	1.9
131.08560	7.2
133.10124	29.5
135.08032	0.8
135.11681	22.7
137.02307	0.6
137.05983	1.3
137.09706	0.9
137.13257	4.9
139.03911	0.6
139.07578	0.5
139.11172	3.9
141.01816	58.5
142.02142	0.8
142.69685	0.5
143.08572	3.1
145.04941	7.3
145.10114	13.2
147.04523	1.2
147.06503	13.4
147.11678	20.5
148.46072	0.5
149.06006	1.1
149.13248	20.7
151.03940	0.8
151.07533	0.9
151.11182	2.5
151.14787	1.5
153.01842	1.6
153.12759	1.1
157.10121	2.7
158.10976	0.7
159.02890	11.6
159.04239	0.6
159.06554	0.7
159.11687	15.2
160.12445	0.6
161.13243	22.9
162.13599	0.5
163.03949	1.0
163.06030	11.1
163.07396	0.6
163.11203	2.4
163.14809	18.7
165.01907	0.7
165.07576	1.4
165.09001	0.6
165.12759	3.6
167.07050	2.3
167.14296	0.7
168.07156	0.5
171.06451	0.9
171.11661	3.3
172.12456	0.5
173.13237	10.7
175.14816	20.3
177.03943	2.7
177.05481	1.5
177.12823	1.4
177.16380	15.7
179.17929	1.9
183.11659	1.0
185.13283	1.9
185.52762	0.6
187.14810	11.6
188.15643	0.5
189.12706	0.6
189.16360	19.0
191.14325	1.6
191.17938	8.7
193.15880	4.6
195.06575	0.7
195.17421	6.1
199.14775	3.9
201.16379	14.5
203.17940	31.7
205.15852	5.9
205.19472	3.5
207.06520	1.1
207.17413	7.9
211.14990	0.8
213.16348	4.7
215.17932	13.3
215.19856	0.9
217.15964	2.1
217.19493	18.0
219.17418	10.2
219.21056	1.4
221.18980	9.4
225.16418	1.1
227.17949	5.7
229.19489	17.5
231.17433	2.5
231.21140	2.2
233.18987	7.3
235.20613	2.1
237.07634	0.8
239.17894	0.9
241.19460	3.4
243.21086	5.9
245.18994	3.8
245.22665	1.0
247.20528	10.7
253.19594	1.4
255.08678	2.0
255.21053	4.5
257.22568	3.8
259.20624	1.6
261.22107	3.9
267.21014	1.4
269.06650	1.3
269.22635	4.8
271.20642	1.0
271.24231	2.1
273.09796	2.1
273.22150	2.1
275.23776	2.2
281.22556	1.4
283.24280	2.2
285.22168	1.6
285.25626	0.8
287.07675	2.8
287.23740	2.2
291.10718	0.6
295.24225	1.8
297.25726	2.8
299.23676	0.6
301.25278	1.4
305.08588	7.6
309.11679	3.4
309.25842	0.8
311.27274	2.4
313.07001	0.8
313.25336	2.1
315.26755	4.3
321.08115	1.8
323.09637	2.4
324.06305	1.8
325.07019	0.8
327.08652	0.6
327.26846	0.7
329.28406	2.4
331.07849	0.5
339.08746	4.9
351.18033	1.3
351.30423	1.0
365.31897	4.8
367.11557	0.7
367.29730	0.7
369.31534	1.4
378.11020	0.9
379.11719	1.7
379.21313	0.7
383.33167	5.2
393.13269	5.3
395.11151	0.7
405.35120	15.5
406.35733	0.6
411.14362	12.0
411.36246	3.7
413.15866	1.6
421.34525	0.6
423.36182	96.7
424.36484	3.5
432.32779	0.6
441.37250	100.0
442.37747	4.5
569.42120	1.0
581.38434	6.2
599.39349	23.3
600.39508	1.1
617.40582	1.6
635.41156	0.7
797.47272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05160	0.6
67.05499	7.0
68.99793	0.4
69.03426	5.2
69.07061	6.2
69.69762	1.3
69.70181	1.6
70.06586	1.0
71.01354	1.8
71.04987	43.5
71.08639	0.5
72.05337	0.6
72.08160	0.5
73.02908	6.6
74.09721	0.4
75.04478	4.9
76.00153	0.4
79.05484	5.7
81.03411	4.4
81.07047	20.2
83.01348	0.5
83.04973	24.3
83.08602	3.9
84.05305	0.5
85.02897	100.0
85.06551	0.6
86.03246	1.5
86.06067	0.5
87.04465	1.8
91.03948	13.3
91.04514	0.8
91.05458	6.7
91.05984	0.5
93.07033	14.8
95.01319	9.1
95.04958	2.6
95.08598	30.6
96.08930	0.9
97.02885	15.7
97.06506	3.8
97.10161	2.5
98.20607	0.4
99.00817	1.5
99.04454	3.1
101.02402	0.9
101.06030	1.3
103.03945	2.9
103.05432	0.6
104.72401	0.4
105.07023	18.8
107.04951	1.1
107.08585	23.1
108.08936	0.7
109.02871	4.0
109.06523	1.7
109.10145	22.7
110.10493	0.5
111.04433	22.8
111.08079	2.7
111.11741	0.9
113.02367	2.5
113.05985	0.6
115.03926	1.5
117.05505	0.8
117.07005	2.2
119.04897	0.9
119.08569	25.8
121.06528	0.9
121.10132	18.9
122.10406	0.5
123.00755	0.8
123.04437	2.4
123.08092	1.3
123.11700	8.7
125.05963	0.9
125.09634	1.6
127.02946	0.6
127.03903	13.3
129.05467	37.6
130.07802	0.6
131.03433	1.4
131.04930	0.7
131.08562	8.1
133.06493	1.0
133.10123	18.5
135.04462	0.7
135.08064	0.8
135.11676	14.3
137.02432	0.5
137.05968	1.9
137.09621	0.9
137.13235	4.4
139.03908	0.9
139.11177	0.5
141.01813	42.8
141.07005	0.4
142.02153	0.6
142.07770	0.7
143.08566	2.4
144.09375	1.1
145.02783	0.6
145.04945	11.1
145.06198	0.6
145.10107	15.1
147.04454	2.2
147.06503	23.5
147.09164	0.7
147.11670	14.0
149.05977	0.7
149.13245	9.5
149.14352	0.8
151.03923	1.7
151.07538	0.6
151.11171	1.1
151.14804	0.8
153.01787	0.5
153.05458	0.7
157.04994	0.7
157.10101	3.3
158.10896	0.5
159.02878	11.0
159.08031	0.5
159.11682	20.3
160.12305	0.7
161.05989	0.9
161.09644	0.5
161.13237	13.7
163.06000	26.6
163.11188	1.2
163.14801	5.4
165.01804	1.0
165.05455	0.7
165.07600	2.9
165.12756	1.1
167.07043	4.3
169.04956	0.4
169.10086	0.8
171.06482	1.0
171.11707	3.1
172.12579	0.7
173.04347	0.4
173.13246	11.6
174.13789	0.7
174.35889	0.5
175.03920	0.9
175.14815	14.2
177.03952	2.5
177.05507	1.3
177.12799	1.6
177.16373	6.5
178.05026	0.6
179.03409	0.6
179.14223	1.9
181.04958	0.5
183.02939	0.7
183.11746	1.2
185.13220	3.0
187.06003	0.6
187.14813	8.6
188.09306	0.4
188.15401	0.6
189.16364	15.4
191.08286	2.0
191.14380	2.2
191.17932	19.4
193.04930	0.4
193.15863	6.3
195.02856	0.4
195.06581	0.6
195.17477	0.8
197.13263	1.0
199.14819	3.7
201.03928	0.6
201.16370	11.0
203.14276	0.6
203.17946	13.0
205.15868	16.8
205.19458	3.1
207.06624	1.6
207.17418	5.6
211.14815	0.9
213.03918	0.8
213.07478	0.9
213.16415	3.9
215.17935	19.5
217.15892	4.9
217.19473	3.6
219.17372	2.8
219.21063	0.9
221.18973	2.5
225.16350	0.9
227.17903	2.5
229.19489	4.5
231.04890	0.6
231.08673	0.6
231.17412	2.7
231.20990	1.9
233.18983	24.1
234.19456	1.0
235.20764	0.6
237.07620	0.4
239.17979	0.5
241.19531	1.2
243.17470	0.9
243.21043	2.7
245.19020	1.5
245.22702	0.9
247.20674	0.8
255.08615	4.8
255.21074	2.0
257.19046	0.6
257.22598	0.8
259.20670	0.7
267.21066	1.0
269.06482	2.9
269.22516	2.9
269.25122	0.5
271.06021	1.1
271.20609	1.5
271.24261	0.8
273.09634	3.8
273.22195	1.3
281.22699	0.6
283.24265	1.4
285.06006	1.0
285.22302	0.7
287.07629	4.2
291.10715	0.7
293.12280	0.8
297.25830	1.1
299.23544	0.5
303.06989	0.7
305.08670	9.8
307.12915	0.9
309.11768	9.0
313.07202	0.8
313.28949	0.8
321.08072	3.3
323.09753	4.3
325.06900	0.9
327.08481	0.5
331.29684	0.5
339.09003	5.4
351.08414	0.5
365.20007	0.5
365.32104	0.4
367.11652	0.5
393.13214	0.6
397.13092	0.5
398.97992	0.5
405.35117	12.2
406.35654	0.6
407.36575	0.5
411.14816	0.7
423.36185	62.4
424.36609	4.0
441.37234	12.5
442.37817	0.7
451.17218	0.6
533.40118	0.5
569.41858	1.1
581.38452	1.0
599.39435	3.6
926.28137	1.3
939.01556	0.4
943.43597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.0
69.03420	3.2
71.64420	0.4
71.64829	0.6
73.02911	3.1
79.05495	1.7
81.03413	2.8
81.07062	2.1
85.02905	5.1
86.54453	0.5
91.03938	3.1
91.05488	1.6
93.07032	2.2
95.04981	1.2
95.08622	1.6
97.02880	4.2
99.04433	0.5
101.02399	1.4
105.07030	0.9
105.66243	0.4
107.08604	1.0
109.02892	0.6
109.10133	0.7
117.13647	0.4
119.08600	1.1
121.10149	1.2
123.04458	0.4
123.73632	0.4
127.03891	1.8
131.08569	0.8
133.10168	0.8
135.11705	0.5
135.84070	0.4
145.04913	0.4
149.09566	0.4
157.19571	0.4
185.04245	0.9
193.12254	0.6
243.08498	1.8
258.08298	0.4
269.12497	0.6
282.31116	0.4
283.15170	2.1
325.82278	0.4
347.09561	2.4
365.10547	1.0
405.13644	4.3
501.23026	4.9
505.62799	0.6
519.29230	5.9
663.28101	4.1
681.34491	7.0
779.45361	2.4
941.50696	100.0
942.50287	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	939.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.4
69.03075	0.3
69.03426	4.3
69.48686	0.4
69.49099	1.3
70.06579	0.8
71.01331	0.2
71.04990	1.5
72.08150	1.1
73.02907	2.4
79.05492	0.4
81.03413	7.3
81.07041	0.3
83.04987	1.2
84.04446	0.2
84.08155	0.3
85.02899	12.3
86.06094	0.3
86.09673	0.4
87.04454	0.6
91.03970	0.2
91.05460	0.8
93.07024	0.2
95.04986	1.0
95.08628	0.2
97.02885	7.9
99.04446	11.6
103.03935	6.1
103.05461	0.4
105.07026	0.7
107.04972	0.4
107.08562	0.4
109.02873	15.2
109.06523	0.3
111.04442	0.9
115.03907	0.7
115.05408	0.3
119.04942	0.9
119.08573	0.3
121.06513	0.4
122.03635	0.4
123.04428	0.6
125.02349	0.6
127.03908	100.0
128.04221	1.5
129.05533	0.2
131.04941	0.8
133.06529	1.0
133.10121	0.3
134.86215	0.2
135.04398	0.3
135.08072	0.3
137.05968	6.3
141.07063	0.2
145.02837	0.7
145.04948	9.6
147.04388	3.0
148.04730	0.5
149.05980	0.5
151.03905	0.6
151.07568	0.7
153.01793	0.4
153.05402	0.2
157.04999	0.5
157.06480	0.2
159.08081	0.3
159.15381	0.2
161.05959	0.5
162.09090	0.2
163.03926	0.6
163.06018	1.7
163.07556	1.4
165.05515	0.3
167.07034	2.4
168.07564	0.2
169.04935	1.3
171.06615	0.3
171.08052	0.3
173.04517	0.2
173.05933	0.3
174.06747	0.2
175.03941	0.3
175.07552	0.6
177.05469	1.3
181.04964	0.6
181.08615	0.3
187.06027	3.4
187.07564	0.3
189.05577	0.3
189.09048	0.5
191.07083	0.2
193.04892	0.3
193.08614	0.3
199.06053	0.5
201.09021	0.3
203.10797	0.4
205.07018	1.4
205.08594	0.2
207.06505	0.5
209.08110	0.8
211.05984	0.5
211.09583	0.3
215.05432	0.3
219.10329	0.3
223.05988	0.2
227.07191	0.3
227.09200	0.4
229.06996	0.6
235.05968	1.3
245.10257	0.2
253.07063	3.4
271.08112	7.5
273.07721	0.3
289.09161	3.5
295.13339	0.4
307.10202	0.8
307.17880	0.2
313.09415	0.4
324.06363	0.6
327.15881	0.8
331.10239	0.7
339.08627	1.3
349.11200	0.5
351.15906	0.2
357.09445	0.4
379.10324	0.6
397.11328	1.6
415.12360	3.8
424.62128	0.2
433.13394	1.8
435.18085	0.3
436.64557	0.2
451.14648	0.3
453.19400	0.2
519.15143	1.0
541.15625	0.6
577.17157	0.4
631.22479	0.2
727.32129	0.2
921.46118	0.3
939.43512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.2
67.05484	0.2
68.99790	0.1
69.03423	4.4
69.19514	0.1
70.06594	0.2
71.01358	0.1
71.04987	1.2
71.63258	0.2
72.08154	0.1
73.02914	2.3
76.25189	0.1
79.05476	0.2
81.03413	7.1
81.07063	0.1
83.01332	0.2
83.04971	1.1
85.02897	11.5
87.04482	0.5
89.03900	0.5
91.03934	0.2
91.05485	0.6
93.07057	0.1
95.04950	0.4
95.08634	0.1
97.02883	7.2
98.09633	0.1
99.04445	11.4
101.02393	0.1
101.05992	0.1
103.03933	6.5
103.05428	0.3
105.07057	0.3
106.47762	0.1
107.04945	0.3
107.08572	0.1
109.02870	14.5
109.06519	0.2
111.04448	0.5
115.03934	0.6
115.05457	0.2
117.03372	1.2
117.06981	0.2
119.04937	0.4
121.02876	0.2
121.06516	0.2
122.03658	0.2
123.04469	0.6
125.02330	0.5
127.03905	100.0
128.04250	0.7
128.06192	0.2
129.06993	0.7
131.04938	0.4
131.08536	0.7
133.02837	0.2
133.06447	0.2
134.03596	0.1
135.04410	0.4
137.02377	0.1
137.05962	2.7
138.05501	0.1
139.03880	0.2
141.06956	0.6
143.03380	0.2
143.04922	0.1
143.08562	0.2
144.05701	0.2
145.02881	2.6
145.04945	9.9
147.04391	0.6
149.05949	0.9
151.03891	0.6
151.07541	0.6
153.01721	0.1
153.05516	0.2
157.04984	0.4
157.06496	0.7
158.07248	0.2
159.08003	0.6
160.05145	0.2
161.04704	0.1
161.05943	0.5
162.06757	0.1
163.03876	0.3
163.06013	1.7
163.07523	0.4
165.05487	0.3
165.09055	0.2
167.07045	0.8
169.04970	1.4
169.06438	0.2
170.07205	0.1
171.08029	0.3
173.04475	0.1
173.06021	0.1
174.06740	1.6
175.03889	0.4
175.07491	0.8
177.05460	4.1
179.07040	0.3
181.04942	0.2
186.06764	0.3
187.06001	4.1
187.07492	0.3
188.08411	0.1
189.05545	0.2
189.09087	3.1
191.03400	0.2
191.07039	0.3
191.10651	0.3
191.78949	0.1
193.04884	0.5
193.08553	0.1
199.04150	0.1
199.05928	0.5
201.05429	0.2
201.09114	1.4
203.05487	0.1
203.10640	1.6
204.93619	0.1
205.05000	0.3
205.07054	1.4
207.06487	0.3
209.08038	0.6
209.15149	0.1
211.05992	0.5
217.04932	0.3
217.06810	0.1
218.62576	0.1
219.10147	8.2
227.09065	0.2
229.06966	0.9
235.06013	1.2
245.10132	0.3
247.07959	0.5
253.07063	3.3
261.09052	0.2
271.08096	7.7
272.08618	0.1
279.10178	0.2
285.07483	0.1
287.07721	0.2
289.09134	3.4
291.10220	0.2
293.11676	0.2
294.95486	0.1
295.05719	0.2
297.07791	0.1
297.72342	0.1
305.08298	0.1
307.05975	0.3
307.10083	0.5
309.07495	0.1
309.11115	0.1
311.12827	0.2
313.09058	0.4
317.08026	0.1
321.07614	0.2
321.11307	0.1
323.12729	0.1
325.07031	0.3
325.10739	0.2
325.14206	0.5
331.10153	0.4
335.08984	0.1
337.07053	0.3
337.10715	0.1
341.13779	0.2
345.13223	0.1
349.07196	0.2
349.11243	0.4
353.13943	0.1
355.11514	0.2
361.09103	0.2
367.11734	0.2
373.11273	0.3
379.10516	0.7
385.09000	0.2
391.08121	0.1
397.11237	1.6
409.09125	0.2
415.12268	2.9
427.10251	0.4
433.13220	1.6
451.14420	0.3
511.12311	0.1
541.15710	0.6
577.17200	0.4
739.19281	0.1
751.19641	0.1
769.20404	0.1
799.21277	0.1
823.10358	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	936.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	2.1
67.05501	52.1
69.03427	4.0
69.07066	13.5
69.96854	3.8
71.04984	3.1
71.08591	1.1
73.02893	1.4
74.47928	0.8
79.05488	36.6
81.03411	68.0
81.07049	51.8
83.04977	4.9
83.08614	19.3
85.02902	8.2
85.06512	1.7
91.03951	5.3
91.04892	0.9
91.05472	33.7
93.07035	42.2
95.04372	1.1
95.04960	26.2
95.08598	39.6
96.48836	0.7
97.02892	6.3
97.06520	4.0
97.10162	7.8
98.21485	0.8
99.08065	0.8
103.05412	0.8
105.04492	0.7
105.07019	23.7
107.04961	6.7
107.08584	27.4
109.02883	1.2
109.06519	5.4
109.10147	21.0
111.04391	1.9
111.08068	6.2
115.05363	1.5
117.06319	0.7
117.07015	6.6
119.04882	0.8
119.08565	22.6
121.06497	3.7
121.09310	1.2
121.10134	20.2
123.04390	2.3
123.08073	3.2
123.11702	6.4
125.09611	4.5
127.03873	2.0
129.06992	9.9
131.08563	17.2
133.06473	2.3
133.10120	13.3
135.08052	3.0
135.11687	11.7
137.09558	3.1
137.13208	1.4
141.06973	1.6
142.07729	2.3
143.08530	2.2
145.04948	2.9
145.06349	0.7
145.10104	9.4
147.04410	1.5
147.08076	4.0
147.11670	12.4
149.09621	4.5
149.13248	7.1
151.11128	1.1
153.09039	0.9
155.08556	1.8
155.43250	0.7
157.10132	9.4
159.08064	0.8
159.11664	7.5
161.09612	0.9
161.13223	5.0
163.05981	4.7
163.11142	2.9
163.14819	3.6
165.12721	1.7
169.10023	1.5
170.53925	0.7
171.03516	0.7
171.11650	2.5
173.09650	1.2
173.13239	6.3
175.11153	6.4
175.14795	2.6
177.12636	0.9
181.12289	0.8
183.11612	1.0
185.09624	0.8
185.13324	1.4
187.13287	0.8
187.14804	2.5
189.05429	0.7
189.11266	3.1
189.12675	0.9
191.10674	1.0
193.12216	19.0
195.11670	0.8
197.13252	0.9
199.14780	1.2
201.16313	1.1
205.12218	0.9
207.13725	1.5
211.13187	1.7
211.15033	0.8
219.63091	0.6
227.12733	7.2
233.22620	0.7
235.13217	3.0
241.19673	0.7
243.15829	0.9
243.21083	5.6
249.14864	2.5
259.13239	1.6
261.22110	21.0
265.14301	0.7
267.15891	87.1
268.16269	0.7
273.14923	1.0
279.23199	2.2
285.22192	0.7
299.23593	0.8
301.14249	2.3
301.25208	6.3
303.23190	0.9
309.16977	4.5
309.20166	1.1
313.27328	1.8
317.24750	3.2
333.16849	1.6
335.25772	100.0
336.26306	0.8
357.27795	0.7
359.25977	1.5
389.23328	1.1
403.24783	1.9
417.31418	1.2
421.25876	3.2
435.27271	3.3
435.32693	4.4
449.28717	1.5
453.33646	9.6
457.30560	0.8
461.29041	1.2
471.34882	5.6
475.30627	1.3
509.36130	2.8
527.37286	83.8
528.37665	2.1
545.38312	88.1
546.38702	1.9
559.40021	3.2
569.38257	10.9
577.41174	1.9
587.39185	3.1
611.39276	2.6
623.39838	3.8
635.39331	4.8
653.40356	4.1
671.41510	4.5
689.41986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
67.05472	0.1
69.03416	4.4
69.07047	0.1
71.00424	0.1
71.01344	0.2
71.04982	1.4
72.08137	0.1
73.02906	2.3
77.62094	0.1
79.05479	0.3
81.03405	7.1
81.07063	0.1
83.01337	0.1
83.04971	1.2
84.08113	0.1
85.02891	10.0
87.04457	0.6
91.03928	0.1
91.05457	0.4
93.07064	0.1
94.04167	0.1
95.04954	0.3
97.02876	7.2
99.04438	11.6
101.02384	0.2
103.03926	5.7
103.05420	0.3
105.07025	0.2
107.04951	0.3
107.08545	0.1
109.02861	14.1
109.06537	0.1
110.03696	0.2
111.04424	0.6
112.07608	0.1
113.02354	0.1
115.03913	0.7
115.05427	0.4
117.06991	0.1
119.04923	0.3
121.02870	0.1
121.06512	0.2
122.03632	0.3
123.04422	0.5
125.02358	0.4
127.03896	100.0
128.04208	0.5
128.06218	0.1
129.05383	0.1
129.06949	0.4
131.04881	0.2
133.06453	0.1
135.04405	0.2
135.08051	0.1
137.02321	0.1
137.05954	6.1
139.03871	0.2
141.05473	0.1
143.03397	0.1
143.04901	0.7
145.04936	9.2
147.04370	0.5
149.05966	0.3
151.03900	0.8
151.07478	0.2
153.01801	0.2
153.05414	0.2
157.04965	0.3
157.06490	0.5
160.05130	1.0
161.05934	0.4
163.03908	0.2
163.06010	1.7
163.07474	0.3
165.05463	0.2
165.09163	0.1
167.07030	0.7
168.06505	0.2
169.04944	1.1
172.05182	0.2
173.04465	0.2
173.05969	0.1
174.06712	0.1
175.04042	0.2
175.07513	4.9
177.05461	0.3
179.07018	0.2
181.04958	0.2
187.05984	3.7
187.07545	2.1
189.05476	0.4
189.09053	0.5
191.06979	0.2
191.08551	0.1
193.04942	0.4
193.08568	0.2
199.06024	0.4
199.07529	0.1
203.08626	0.2
205.04919	0.5
205.07027	1.2
205.08630	0.8
207.06485	0.4
209.08005	0.5
211.05873	0.4
211.07758	0.2
217.04930	0.3
217.06696	0.1
217.08589	0.3
219.08136	0.2
219.10182	0.1
227.09077	0.2
229.06978	0.9
231.08138	0.1
235.05939	1.1
235.09624	0.9
245.10146	0.3
247.08029	0.4
248.08293	0.2
253.07036	3.2
255.06425	0.2
259.07474	0.1
260.08380	0.1
263.10632	0.2
270.08884	0.1
271.08066	6.9
279.10187	0.1
285.07581	0.1
289.09137	3.4
291.10291	0.4
299.07541	0.1
307.10132	0.5
308.10156	0.1
309.11029	0.1
311.12637	0.3
313.09058	0.3
323.09265	0.1
323.12738	0.6
325.13721	0.2
331.10211	0.3
334.54242	0.1
341.13742	1.0
349.11282	0.2
357.13217	0.5
359.11035	0.1
361.09174	0.2
373.10901	0.2
379.10202	0.7
397.11264	1.7
415.12289	2.8
415.27649	0.1
433.07697	0.2
433.13345	1.4
451.14380	0.4
475.63083	0.1
541.15417	0.5
577.17316	0.3
952.54828	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	935.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
67.05472	0.1
69.03416	4.4
69.07047	0.1
71.00424	0.1
71.01344	0.2
71.04982	1.4
72.08137	0.1
73.02906	2.3
77.62094	0.1
79.05479	0.3
81.03405	7.1
81.07063	0.1
83.01337	0.1
83.04971	1.2
84.08113	0.1
85.02891	10.0
87.04457	0.6
91.03928	0.1
91.05457	0.4
93.07064	0.1
94.04167	0.1
95.04954	0.3
97.02876	7.2
99.04438	11.6
101.02384	0.2
103.03926	5.7
103.05420	0.3
105.07025	0.2
107.04951	0.3
107.08545	0.1
109.02861	14.1
109.06537	0.1
110.03696	0.2
111.04424	0.6
112.07608	0.1
113.02354	0.1
115.03913	0.7
115.05427	0.4
117.06991	0.1
119.04923	0.3
121.02870	0.1
121.06512	0.2
122.03632	0.3
123.04422	0.5
125.02358	0.4
127.03896	100.0
128.04208	0.5
128.06218	0.1
129.05383	0.1
129.06949	0.4
131.04881	0.2
133.06453	0.1
135.04405	0.2
135.08051	0.1
137.02321	0.1
137.05954	6.1
139.03871	0.2
141.05473	0.1
143.03397	0.1
143.04901	0.7
145.04936	9.2
147.04370	0.5
149.05966	0.3
151.03900	0.8
151.07478	0.2
153.01801	0.2
153.05414	0.2
157.04965	0.3
157.06490	0.5
160.05130	1.0
161.05934	0.4
163.03908	0.2
163.06010	1.7
163.07474	0.3
165.05463	0.2
165.09163	0.1
167.07030	0.7
168.06505	0.2
169.04944	1.1
172.05182	0.2
173.04465	0.2
173.05969	0.1
174.06712	0.1
175.04042	0.2
175.07513	4.9
177.05461	0.3
179.07018	0.2
181.04958	0.2
187.05984	3.7
187.07545	2.1
189.05476	0.4
189.09053	0.5
191.06979	0.2
191.08551	0.1
193.04942	0.4
193.08568	0.2
199.06024	0.4
199.07529	0.1
203.08626	0.2
205.04919	0.5
205.07027	1.2
205.08630	0.8
207.06485	0.4
209.08005	0.5
211.05873	0.4
211.07758	0.2
217.04930	0.3
217.06696	0.1
217.08589	0.3
219.08136	0.2
219.10182	0.1
227.09077	0.2
229.06978	0.9
231.08138	0.1
235.05939	1.1
235.09624	0.9
245.10146	0.3
247.08029	0.4
248.08293	0.2
253.07036	3.2
255.06425	0.2
259.07474	0.1
260.08380	0.1
263.10632	0.2
270.08884	0.1
271.08066	6.9
279.10187	0.1
285.07581	0.1
289.09137	3.4
291.10291	0.4
299.07541	0.1
307.10132	0.5
308.10156	0.1
309.11029	0.1
311.12637	0.3
313.09058	0.3
323.09265	0.1
323.12738	0.6
325.13721	0.2
331.10211	0.3
334.54242	0.1
341.13742	1.0
349.11282	0.2
357.13217	0.5
359.11035	0.1
361.09174	0.2
373.10901	0.2
379.10202	0.7
397.11264	1.7
415.12289	2.8
415.27649	0.1
433.07697	0.2
433.13345	1.4
451.14380	0.4
475.63083	0.1
541.15417	0.5
577.17316	0.3
952.54828	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	928.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.0
67.05499	9.8
69.03426	9.7
69.06712	0.6
69.07063	10.0
70.06580	0.7
70.97185	1.1
71.01350	2.2
71.04988	29.5
71.08625	0.6
72.08154	0.5
73.02541	0.8
73.02913	8.0
75.04466	2.9
77.08681	0.4
77.28568	0.3
79.05486	6.7
81.03418	2.6
81.07051	33.4
83.04977	10.3
83.08610	4.5
85.02898	52.5
85.06512	0.7
86.06093	0.7
87.04448	1.3
91.05468	6.4
93.03364	0.4
93.07037	15.6
93.74585	0.4
95.01336	2.4
95.04977	2.3
95.08600	60.0
96.08925	0.8
97.02886	19.8
97.06503	2.5
97.10159	2.6
99.00856	0.8
99.04438	2.2
101.06033	0.5
103.03937	0.9
103.05424	0.6
105.07018	15.9
107.04960	1.0
107.08585	26.0
109.02864	2.2
109.06513	1.6
109.10147	24.2
111.04430	10.2
111.08076	1.0
111.11692	0.6
113.02364	1.6
113.06008	0.8
115.03925	8.7
117.05487	1.0
117.07024	2.5
117.07738	0.4
118.56462	0.5
119.08571	21.0
121.06484	1.4
121.10133	25.8
122.10490	0.6
123.04433	1.2
123.08037	1.1
123.10809	0.6
123.11698	11.9
125.02380	0.9
125.05975	0.4
127.03919	2.9
128.06285	0.4
129.05469	13.9
129.07007	1.1
131.04936	0.4
131.08560	7.7
133.04956	2.3
133.10118	16.4
135.04431	0.7
135.08104	0.9
135.11690	14.0
137.02318	0.9
137.05959	1.6
137.09581	1.1
137.13243	21.2
139.03873	0.9
139.07507	0.7
141.00720	0.6
141.01817	10.0
142.07768	0.6
143.08571	3.6
145.04958	0.9
145.10114	10.8
146.08090	1.1
147.04387	1.5
147.06516	7.9
147.08009	0.7
147.11679	15.1
149.09599	0.9
149.13248	10.6
150.07581	0.4
151.03882	0.9
151.11189	0.6
151.14807	1.8
153.05505	0.6
155.08560	0.8
156.09297	0.6
157.04950	1.2
157.10126	6.1
158.10912	0.6
159.02901	4.7
159.11673	11.6
160.12276	0.4
161.09637	1.2
161.13245	12.1
163.03967	0.6
163.06021	2.0
163.11188	1.4
163.14818	5.2
164.09172	2.3
165.05438	0.5
165.07573	0.6
165.09071	0.7
165.16388	0.5
167.07062	2.2
167.10666	0.5
169.04994	0.5
169.10110	1.6
171.06555	0.6
171.11667	5.4
173.09601	0.5
173.13255	12.2
175.03824	0.7
175.11188	1.9
175.14795	9.4
177.05449	1.2
177.12778	7.2
177.16373	22.6
179.14270	2.2
183.11633	2.5
184.12384	0.5
185.13211	3.5
187.05954	0.6
187.11205	0.8
187.14786	6.4
189.12694	2.1
189.16370	11.6
189.18082	0.7
191.14331	3.4
191.17931	19.0
192.18269	0.6
193.12302	0.8
193.15872	0.6
195.11734	0.6
197.13307	1.4
199.06076	0.8
199.14812	3.8
201.12831	0.7
201.16383	8.3
203.14294	9.0
203.17931	18.2
204.18251	0.7
205.09976	0.5
205.15874	1.5
205.19566	2.4
207.06593	1.5
207.13925	0.6
207.17471	1.3
209.13310	0.7
211.14828	1.6
213.03954	0.5
213.07458	0.5
213.16368	2.8
215.14400	3.2
215.17918	7.1
215.19868	0.6
217.07117	1.6
217.15947	2.9
217.19414	3.6
219.04979	0.7
219.17447	1.4
219.21124	1.4
221.15370	1.1
221.19016	0.8
225.07550	9.0
225.16312	1.8
227.17923	2.7
229.15863	2.0
229.19456	2.4
229.21494	0.4
231.17435	12.3
231.20958	2.7
233.15369	0.9
235.16934	1.3
237.16464	0.6
239.18011	0.9
241.15833	0.5
241.19504	2.1
242.56680	0.4
243.08632	5.7
243.17410	5.5
243.21060	3.1
245.18840	0.5
245.22639	1.2
247.16887	0.8
251.18062	0.5
253.19592	0.7
255.04805	0.7
255.17418	1.4
255.21082	1.8
257.18982	1.3
257.22687	1.4
261.09732	2.1
261.18488	9.8
267.21005	0.6
269.06506	1.2
269.18991	1.3
269.22647	1.2
271.06110	0.7
271.20587	4.4
271.23831	0.8
273.06006	2.5
273.18457	2.4
275.20114	2.1
279.10736	10.1
281.22488	0.5
283.20642	2.1
283.24115	0.5
285.22134	1.6
287.07629	1.8
287.20047	2.3
289.21603	10.1
289.24573	0.8
291.07114	1.0
295.23941	0.4
297.22064	1.2
297.25504	0.6
299.23727	0.5
301.21661	3.7
305.08667	3.4
309.07996	1.6
313.06989	0.7
315.23199	3.1
323.09720	0.9
324.06161	0.5
325.06830	0.7
325.25201	0.5
329.24796	0.5
337.24820	0.5
339.08585	1.0
339.30392	0.8
355.26083	0.6
377.32022	0.7
379.11551	1.0
379.30066	1.4
393.13419	0.9
393.35104	3.8
397.12646	0.5
401.10825	0.9
403.33493	3.5
411.14450	1.4
421.34622	74.6
422.35022	2.9
437.34357	0.6
439.35690	100.0
440.35956	2.9
567.40594	0.6
568.41064	0.5
773.94073	0.5
785.19269	0.5
850.73962	0.4
889.06989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.5
67.05495	4.6
68.99809	0.3
69.03062	0.5
69.03426	7.0
69.07063	4.6
70.75663	0.8
71.01343	1.9
71.04987	23.1
72.08122	0.3
73.02912	6.6
75.04477	2.5
79.05487	2.9
81.03419	1.1
81.07050	13.9
82.07357	0.2
83.04973	24.4
83.08620	2.2
85.02896	47.4
86.03241	0.4
86.06057	0.7
87.04445	1.2
91.03934	0.3
91.05457	2.2
93.07036	7.3
95.01311	2.0
95.04958	1.4
95.08597	24.6
96.08937	0.3
96.74793	0.3
97.02882	17.0
97.06480	0.4
97.10157	1.1
98.96671	0.3
99.00818	0.6
99.04437	1.8
101.02409	0.3
101.06003	0.7
103.03942	0.8
105.07025	3.9
107.08582	13.1
109.02859	0.9
109.06511	0.4
109.10145	9.7
111.04433	17.4
111.08084	0.4
111.11658	0.2
113.02359	1.7
113.05970	0.7
115.03918	9.1
117.05468	0.9
117.07001	0.6
119.04891	0.4
119.08563	7.9
121.06626	0.2
121.10133	11.0
123.00803	0.4
123.04391	0.4
123.08098	0.4
123.11699	4.7
125.02352	0.6
125.09587	0.6
127.03886	1.3
129.05467	34.9
131.08569	2.9
133.04944	1.6
133.10117	4.9
135.04431	0.6
135.08110	0.3
135.11682	8.0
137.02284	0.4
137.05959	0.5
137.13242	10.9
139.03928	1.0
139.07492	0.3
141.01816	9.9
141.05415	0.3
143.08572	1.1
145.04951	0.7
145.10101	6.8
146.08105	0.9
147.04422	0.7
147.06503	8.1
147.11673	5.0
149.04417	0.3
149.13232	3.6
151.03859	0.4
151.07481	0.3
151.11230	0.3
151.14819	1.0
153.05453	0.4
155.03490	0.3
157.04936	1.4
157.10133	1.5
158.10869	0.3
159.02875	4.5
159.11681	5.6
161.13239	5.6
163.06015	2.0
163.07271	0.4
163.14795	2.2
164.09151	2.8
165.07573	0.7
165.09009	0.3
165.12799	0.3
165.16417	0.5
167.07051	0.5
169.05002	0.6
169.10132	0.6
171.06551	0.9
171.11639	2.1
173.04494	0.4
173.13245	3.5
175.11218	0.4
175.14845	2.5
177.03897	0.6
177.16382	5.1
179.07047	0.6
179.10622	0.6
179.17902	0.3
181.04948	0.6
183.02922	0.4
183.06506	0.5
183.11705	0.7
185.09587	0.3
185.13234	2.2
187.02422	0.3
187.06000	0.3
187.14803	5.6
189.12746	0.6
189.16380	4.2
191.10658	0.5
191.17934	20.0
192.18237	0.5
193.12234	0.8
197.13277	0.9
199.06055	0.9
199.14798	2.4
201.16377	6.3
203.16042	0.3
203.17929	5.7
205.12204	0.6
205.19478	0.7
207.06381	0.4
207.13797	2.5
211.14787	0.8
212.07257	0.3
213.07567	0.3
213.16350	3.5
215.14394	0.4
215.17883	1.3
216.14476	0.3
217.07048	1.6
217.12196	0.6
217.19498	0.8
219.05035	0.7
219.13828	2.4
219.21146	0.3
221.15369	0.6
225.07553	9.2
225.16380	1.3
227.14343	0.3
227.17934	1.2
229.15907	0.3
229.19505	1.6
231.08658	0.5
231.13815	1.3
231.21092	1.1
233.15346	3.0
235.16869	0.5
239.17981	0.9
241.15869	0.7
241.19553	1.2
243.08615	5.7
243.13820	0.3
243.21048	0.8
245.15312	2.1
245.22522	0.5
247.16907	7.3
249.18425	0.4
253.19405	0.4
255.05045	0.9
255.21156	0.8
257.15353	0.9
259.08112	0.4
259.16922	10.8
261.09637	2.1
261.18524	0.5
267.21054	0.2
269.06482	1.9
269.22620	0.9
271.16888	3.5
271.24002	0.3
273.05994	2.1
273.18466	3.1
279.10724	9.8
285.18497	4.1
287.07574	3.8
287.20047	7.0
291.07022	1.4
296.13416	0.3
299.20047	2.7
301.21527	0.8
305.08646	4.5
309.08032	1.8
313.21567	3.8
315.23264	0.5
323.09790	1.6
327.23108	1.6
339.23221	0.6
341.24780	0.9
353.24872	1.4
367.26315	0.8
381.27936	0.7
391.33264	1.4
401.10764	0.8
409.34656	0.7
411.14597	0.4
435.32477	0.8
437.34116	100.0
438.34421	2.8
455.35150	10.1
456.35754	0.6
461.62549	0.3
478.36667	1.3
496.37430	0.5
547.38080	0.5
565.38934	0.4
631.38373	0.9
632.37909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	0.4
68.99794	0.3
69.03418	6.1
69.07056	0.2
70.06588	1.6
71.01337	0.3
71.04980	1.8
71.63557	0.2
72.08145	2.9
73.02499	0.1
73.02902	2.7
79.05479	0.5
81.03406	9.3
81.07037	0.3
83.01331	0.2
83.04968	1.6
84.08130	1.1
85.02894	12.5
85.06512	0.2
86.06075	0.2
86.09702	2.1
87.04463	0.6
89.77597	0.2
91.03964	0.3
91.05455	0.9
93.07027	0.4
94.04149	0.2
95.04958	0.7
95.08595	0.2
96.08104	0.2
97.02878	8.4
97.06493	0.2
98.06030	0.2
98.09685	0.3
99.04442	14.0
101.02382	0.3
101.06020	0.2
103.03927	4.8
103.05427	0.3
105.07008	0.8
107.04945	0.5
107.08589	0.4
109.02865	19.6
109.06550	0.3
109.10152	0.3
111.04461	0.5
112.07539	0.2
115.03924	0.7
117.05447	0.2
117.06976	0.2
119.04951	0.8
119.08536	0.2
120.08088	0.3
121.02876	0.9
121.06496	0.5
121.10132	0.3
123.04431	0.8
123.08056	0.2
125.02322	0.6
127.03899	100.0
128.04233	0.7
129.10202	0.8
129.64597	0.1
131.04834	0.2
131.08536	0.2
133.06477	0.5
133.10123	0.3
134.03595	0.3
135.04399	0.5
137.02307	1.3
137.05922	0.7
138.05486	0.3
139.03896	0.3
140.07054	0.2
141.01852	0.2
145.02914	0.5
145.04938	9.0
145.10185	0.2
147.04385	1.7
149.05951	0.5
151.03900	0.6
152.07143	0.2
153.01765	0.4
153.05455	0.3
157.04927	0.4
157.09698	0.7
157.21793	0.2
161.05965	0.7
163.03920	0.5
163.06007	1.4
163.07428	0.3
165.01804	0.9
165.05490	0.4
165.09093	0.3
167.07014	3.1
168.07463	0.2
169.04970	1.1
169.13274	0.2
171.11179	0.2
173.06006	0.2
175.03841	1.0
175.14787	0.2
177.05447	1.1
178.02606	0.5
179.03360	1.6
181.04889	0.5
181.08598	0.2
185.16428	0.7
187.05986	3.4
187.07629	0.2
189.05440	0.4
191.06996	0.5
193.05002	0.5
193.08574	0.4
195.02844	0.4
196.03651	1.2
197.04355	0.2
197.06070	0.2
199.06017	0.5
203.13658	0.2
205.05058	0.4
205.07024	1.3
207.06471	1.3
209.08125	0.7
209.15186	0.2
211.05940	0.5
211.07692	0.3
211.09543	0.3
213.09048	0.2
213.15970	0.5
217.04951	0.3
227.07065	0.3
227.09120	0.4
228.07941	0.2
228.13498	0.4
229.05051	0.2
229.06917	0.8
235.05954	1.5
239.07069	0.8
245.10313	0.2
247.08040	0.2
249.11314	0.2
253.06989	2.8
255.06424	2.2
256.07272	1.0
259.06067	0.2
267.06482	2.0
268.07111	0.2
269.04398	0.2
270.05072	0.2
271.08066	6.7
283.06018	0.6
284.06656	0.4
285.07568	0.5
287.05557	0.2
289.09164	2.9
290.16052	0.5
294.05173	0.5
295.02817	0.3
295.05984	4.0
295.09283	0.2
295.39316	0.2
297.07404	0.3
297.42548	0.2
299.05548	0.3
299.08911	0.2
301.07306	0.2
307.06113	0.3
307.10089	0.2
308.06573	0.2
309.07590	0.5
311.05453	6.3
311.08789	0.3
312.06232	18.0
313.06921	0.6
323.05615	0.2
323.09097	0.2
325.07025	0.6
327.08575	66.3
328.08926	0.7
331.10355	0.2
337.07059	0.7
339.08636	0.5
343.08008	0.3
345.09641	66.9
346.10071	0.9
349.07166	0.2
349.11172	0.2
351.08484	0.3
353.06488	0.4
356.64413	0.2
357.09875	0.2
369.09674	0.5
371.07440	0.5
371.11743	0.2
375.08768	0.2
379.10815	0.3
387.10678	0.7
397.11499	1.2
415.12286	2.9
433.13760	0.9
435.10587	0.8
440.28305	0.2
453.11884	1.9
471.12674	0.3
507.14847	0.4
541.15399	0.6
553.15784	0.3
561.13745	0.2
579.15009	0.4
586.36560	0.3
589.19031	0.3
591.16876	0.2
597.15845	0.5
615.17200	1.8
633.17841	0.5
723.18542	0.4
741.19812	1.2
759.21295	0.9
777.21613	0.2
920.41541	0.2
921.03131	1.3
921.36951	0.5
921.55359	0.8
922.04919	0.2
922.67981	0.2
942.16339	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	920.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.7
67.05502	45.8
68.05841	0.7
69.03411	2.5
69.07065	8.5
69.52976	5.0
71.04988	12.9
73.02906	1.8
73.06554	0.7
79.05488	23.4
80.05839	0.6
81.03400	1.1
81.07051	68.2
82.07368	0.8
83.04974	3.1
83.08608	4.4
85.02895	7.8
85.06536	5.5
91.03947	5.1
91.05473	19.5
93.07039	27.6
95.04955	3.1
95.08596	20.2
96.08880	0.8
97.02895	3.6
97.06525	3.1
97.10159	2.2
98.21407	1.3
99.04488	0.7
99.08061	0.7
101.75716	0.6
105.07024	11.0
107.08586	16.9
107.09293	1.2
109.02896	0.7
109.06497	1.6
109.10150	10.2
111.08083	2.2
117.06998	4.1
119.08569	7.1
121.10135	13.8
123.08083	1.2
123.11703	10.2
125.09714	0.6
127.03912	2.3
131.08565	5.0
133.10126	13.3
135.08093	0.8
135.11678	7.4
137.13225	0.8
141.64043	0.6
145.04985	2.0
145.10110	3.9
147.11710	3.7
149.13254	5.1
151.11169	4.7
157.10057	0.8
157.64276	0.6
159.11674	4.4
161.13257	2.0
163.06033	1.9
163.14799	1.2
169.12312	1.2
171.11754	0.8
173.13268	2.4
175.14853	0.8
177.12773	1.5
181.73337	0.7
183.13843	2.0
187.13336	2.4
187.14772	0.8
195.13850	0.7
199.14812	0.8
227.16415	1.5
243.15926	1.0
257.17575	0.8
261.22104	3.2
269.17465	5.5
301.20084	9.2
317.24692	1.0
335.25766	20.2
437.33939	1.1
445.24097	0.7
485.36108	2.2
503.37283	64.3
504.37506	2.6
511.37689	1.0
517.38831	1.7
529.38867	13.8
529.46930	0.8
547.40491	0.8
561.41473	100.0
562.41919	3.3
691.43878	0.9
705.45972	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	920.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.1
67.05502	59.6
68.78960	0.8
69.03425	2.6
69.07064	9.0
69.35842	4.0
69.36268	4.3
71.04992	20.1
73.02903	3.1
79.05486	30.9
81.03432	1.7
81.07052	82.5
83.04977	3.8
83.08606	6.9
85.02895	13.7
85.06543	6.8
87.04464	1.1
91.03960	7.6
91.05476	29.8
93.07040	37.6
95.04976	4.5
95.08603	25.7
95.89866	0.8
97.02855	6.4
97.06516	4.3
97.10172	2.6
99.08090	1.4
105.07017	15.0
107.08587	22.0
109.06525	2.0
109.10155	11.9
111.08073	2.3
117.07014	3.5
119.08583	9.2
121.10135	16.4
123.11687	11.5
127.03891	2.4
129.07001	1.3
131.08563	10.6
133.10132	19.4
135.11668	9.8
137.09657	0.8
138.72145	0.7
143.08560	1.2
145.04947	2.3
145.10129	5.8
147.11668	4.7
149.13242	5.3
151.11174	6.9
153.12740	1.4
157.10132	1.3
159.11684	6.9
161.13300	3.7
163.06013	3.5
169.12184	1.4
171.11717	1.1
173.13239	3.9
175.14798	0.9
177.12726	1.8
183.13786	2.5
185.13249	1.2
187.13263	4.1
187.14830	1.8
195.13777	1.0
201.14777	1.1
211.29120	0.9
227.16376	2.8
243.15894	1.5
243.21112	1.0
257.17413	1.2
261.22217	1.9
269.17389	5.4
301.20053	22.8
302.20444	1.0
317.24371	1.1
335.25742	15.1
393.31491	1.0
411.32141	1.0
437.34143	2.0
445.24335	1.1
485.36203	5.3
503.37277	76.2
504.37531	3.5
511.37784	1.8
517.38904	3.2
529.38873	34.2
530.39142	1.3
547.39996	1.4
561.41473	100.0
562.41962	4.9
591.86450	0.9
705.45654	1.4
714.19916	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	919.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.2
69.03442	0.2
69.07067	1.6
69.99362	0.8
69.99776	0.4
71.04983	1.0
73.02917	0.3
74.59924	0.2
79.05493	1.3
81.03437	0.3
81.07053	4.7
83.08618	0.6
85.02898	1.6
90.01194	0.2
91.05475	1.3
93.07036	2.5
95.04955	0.5
95.08598	7.5
97.02856	0.4
97.10172	0.4
98.20826	0.4
105.07024	1.6
107.08588	3.4
109.06565	0.3
109.10150	3.3
111.04481	0.3
113.02151	0.5
117.07037	0.4
119.01055	4.9
119.08570	2.1
121.10130	3.1
123.04412	0.2
123.11656	1.4
129.05432	0.2
131.08606	1.0
133.10136	2.0
134.37236	0.2
135.11668	1.9
137.02084	2.7
137.13249	2.0
144.09296	0.3
145.10130	0.9
147.11707	1.2
149.13252	1.7
150.17868	0.2
153.05316	0.3
155.03181	1.0
157.01106	0.3
157.10072	0.3
159.11734	1.1
161.13298	0.8
163.00041	0.7
163.14886	0.5
167.06981	0.3
169.04758	0.9
171.11766	0.4
173.13318	0.9
175.14857	1.0
177.16402	0.5
181.01088	2.1
187.05757	0.6
187.14771	0.3
189.16414	0.5
191.17943	0.4
191.35391	0.2
199.02135	1.6
201.16415	0.4
203.17979	0.8
205.19572	0.5
207.06526	0.3
213.16594	0.2
215.05174	1.2
215.18042	1.0
217.03183	5.3
217.05099	0.3
229.19456	1.2
239.05386	0.6
243.20914	0.3
251.05556	0.3
257.22620	0.3
269.06357	1.2
298.51340	0.2
301.08920	12.0
313.05688	0.4
318.80283	0.3
319.10101	0.9
331.06509	0.9
349.07367	6.6
349.11255	0.5
361.11023	7.3
385.10995	7.2
385.16074	0.2
387.12772	0.2
397.11218	0.9
415.12064	6.6
433.12985	2.7
449.12787	0.4
459.11151	1.0
477.12131	27.1
495.13181	6.2
513.17816	0.3
621.35278	0.2
639.42151	0.3
785.48145	2.7
919.50165	100.0
920.50562	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	919.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.4
65.45108	0.2
67.05502	1.2
68.99773	1.0
69.03426	6.9
69.07053	0.8
70.06588	0.8
71.04990	1.9
71.63470	0.4
73.02910	3.9
79.05474	1.1
79.47993	0.2
81.03410	9.6
81.07060	1.4
83.01331	0.3
83.04974	2.0
83.08569	0.3
84.08134	0.6
85.02897	14.0
85.06518	0.4
86.06029	0.3
87.04452	0.7
87.59138	0.2
91.05474	2.6
93.07053	1.3
95.04976	1.9
95.08598	1.1
97.02881	7.6
97.06523	0.4
99.04443	11.8
101.02331	0.3
103.03934	6.9
103.05435	0.4
105.07032	2.4
107.04948	0.9
107.08591	0.9
109.02868	16.9
109.06511	0.7
109.10146	0.7
110.03188	0.3
111.04446	1.1
115.03919	1.0
115.05469	0.4
117.07018	0.6
119.04962	1.1
119.08584	1.2
120.08132	0.3
121.02855	0.8
121.06485	1.2
121.10109	0.8
123.04417	19.3
123.11670	0.3
125.02326	0.4
125.05988	0.3
127.03902	100.0
128.04259	1.3
128.06221	0.3
129.01831	0.4
129.07010	0.7
131.04916	0.9
131.08542	1.0
133.06483	1.3
133.10133	1.0
135.04372	1.3
135.08052	0.4
135.11635	0.4
137.05962	2.8
138.05492	0.4
139.03888	0.6
143.08557	0.8
145.02963	0.3
145.04953	9.6
145.06435	0.8
145.10115	1.0
147.04382	5.9
147.08026	0.5
147.11659	0.6
149.02338	0.3
149.05971	4.4
151.03886	0.6
151.07501	0.5
153.01813	1.3
153.05482	0.3
157.04959	0.3
157.10201	0.3
159.04425	0.3
159.08098	0.6
159.11638	0.4
160.05188	0.4
161.05968	3.6
161.09581	0.5
163.03859	0.7
163.05995	1.4
163.07507	0.8
163.11179	0.3
165.01872	0.3
165.05479	2.8
165.06848	0.4
165.08987	0.3
167.03410	0.7
167.07060	4.1
169.04958	1.4
169.06311	0.5
171.02885	0.8
171.04288	0.4
171.08035	1.3
173.04544	0.4
173.05928	1.8
173.09668	0.4
173.13214	0.5
174.06766	0.5
175.03918	0.8
175.07576	0.7
175.14758	0.4
177.01903	0.3
177.05476	1.2
179.03430	0.4
179.07074	0.5
180.10233	0.5
181.04996	0.5
181.08498	0.3
183.02843	0.3
183.07967	0.4
185.05971	1.0
185.09529	0.3
187.06001	3.1
187.07561	1.2
187.11200	0.3
189.05528	2.0
189.06924	0.3
189.07492	0.4
189.09093	4.1
191.03378	0.7
191.07018	1.6
191.14276	0.6
193.08629	0.3
195.02919	1.2
195.08141	0.4
197.05981	0.4
199.05931	0.7
199.07614	0.7
201.05511	0.7
201.09082	1.5
203.03493	0.3
203.07039	1.1
203.10698	0.6
205.05064	0.5
205.07043	1.1
205.08655	0.3
207.06456	1.4
207.10135	3.0
207.13565	0.3
209.08025	0.4
209.15269	0.3
211.05873	0.5
211.07576	0.7
213.05466	1.0
213.09088	1.1
215.06935	1.3
215.10689	0.8
217.04970	0.4
219.02895	0.6
219.10168	0.3
227.07068	1.2
229.04994	0.4
229.06729	1.2
229.08939	0.4
231.06540	1.0
231.10127	1.9
235.05925	0.6
239.06970	0.5
241.04926	0.5
243.10237	0.5
245.07947	0.5
247.08092	1.1
249.11282	0.5
251.07031	0.3
253.06909	2.0
255.06575	0.8
255.10124	0.5
257.04095	0.3
257.08109	0.8
257.11768	0.7
261.03934	0.4
269.04401	0.6
269.08035	0.4
270.05072	0.4
271.05728	0.4
271.07697	4.0
271.09915	1.6
273.07593	0.7
273.11105	0.5
277.08704	0.4
279.09952	0.4
283.09454	0.5
285.04568	0.4
285.07538	2.1
285.11313	0.7
286.04718	0.7
287.05487	0.8
289.09122	2.8
293.08057	0.4
295.06149	0.6
295.09604	2.3
297.07550	0.8
297.11246	1.0
299.09467	0.3
301.06992	4.8
302.07404	0.4
307.09863	0.8
309.07748	0.4
309.11105	0.4
311.05719	1.3
311.08917	0.5
311.12686	0.4
313.07144	0.6
313.10687	6.7
315.08792	0.6
315.12317	0.8
319.09714	0.7
321.07648	0.5
323.09134	0.3
323.12817	0.4
325.07196	0.5
325.14368	1.1
327.08563	0.5
327.94315	0.3
331.10239	0.6
335.09268	0.4
337.06982	0.3
337.10660	3.3
339.08563	1.1
343.15329	2.5
349.10837	0.7
349.14465	0.8
351.12277	0.3
353.10104	0.7
355.11380	0.9
355.15469	0.9
361.10590	1.1
363.12622	0.4
365.10367	0.6
367.11636	0.4
367.15472	3.2
373.06995	0.3
373.10858	1.2
375.08844	0.3
379.11679	3.5
379.15814	0.3
383.10971	0.4
385.11642	0.3
385.16278	1.3
391.15921	1.4
393.13449	0.4
397.11465	1.4
403.11588	1.0
409.16553	1.4
411.14267	0.5
415.11951	2.1
421.12753	0.4
427.10892	0.4
433.16995	3.2
439.14209	0.5
445.11902	0.3
451.17963	2.6
457.16592	1.2
475.17563	1.3
487.13708	0.3
493.18488	0.6
499.17276	0.8
505.14618	0.3
511.12253	0.3
517.18658	0.5
523.16302	0.6
529.16895	0.7
541.18091	1.3
559.19128	0.8
577.19336	0.5
595.21539	0.5
601.20190	0.6
619.21887	0.3
649.18982	0.5
667.20123	1.1
685.21649	1.0
703.23010	1.8
721.24005	1.2
739.25140	1.1
757.26599	0.4
919.33203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.4
65.45108	0.2
67.05502	1.2
68.99773	1.0
69.03426	6.9
69.07053	0.8
70.06588	0.8
71.04990	1.9
71.63470	0.4
73.02910	3.9
79.05474	1.1
79.47993	0.2
81.03410	9.6
81.07060	1.4
83.01331	0.3
83.04974	2.0
83.08569	0.3
84.08134	0.6
85.02897	14.0
85.06518	0.4
86.06029	0.3
87.04452	0.7
87.59138	0.2
91.05474	2.6
93.07053	1.3
95.04976	1.9
95.08598	1.1
97.02881	7.6
97.06523	0.4
99.04443	11.8
101.02331	0.3
103.03934	6.9
103.05435	0.4
105.07032	2.4
107.04948	0.9
107.08591	0.9
109.02868	16.9
109.06511	0.7
109.10146	0.7
110.03188	0.3
111.04446	1.1
115.03919	1.0
115.05469	0.4
117.07018	0.6
119.04962	1.1
119.08584	1.2
120.08132	0.3
121.02855	0.8
121.06485	1.2
121.10109	0.8
123.04417	19.3
123.11670	0.3
125.02326	0.4
125.05988	0.3
127.03902	100.0
128.04259	1.3
128.06221	0.3
129.01831	0.4
129.07010	0.7
131.04916	0.9
131.08542	1.0
133.06483	1.3
133.10133	1.0
135.04372	1.3
135.08052	0.4
135.11635	0.4
137.05962	2.8
138.05492	0.4
139.03888	0.6
143.08557	0.8
145.02963	0.3
145.04953	9.6
145.06435	0.8
145.10115	1.0
147.04382	5.9
147.08026	0.5
147.11659	0.6
149.02338	0.3
149.05971	4.4
151.03886	0.6
151.07501	0.5
153.01813	1.3
153.05482	0.3
157.04959	0.3
157.10201	0.3
159.04425	0.3
159.08098	0.6
159.11638	0.4
160.05188	0.4
161.05968	3.6
161.09581	0.5
163.03859	0.7
163.05995	1.4
163.07507	0.8
163.11179	0.3
165.01872	0.3
165.05479	2.8
165.06848	0.4
165.08987	0.3
167.03410	0.7
167.07060	4.1
169.04958	1.4
169.06311	0.5
171.02885	0.8
171.04288	0.4
171.08035	1.3
173.04544	0.4
173.05928	1.8
173.09668	0.4
173.13214	0.5
174.06766	0.5
175.03918	0.8
175.07576	0.7
175.14758	0.4
177.01903	0.3
177.05476	1.2
179.03430	0.4
179.07074	0.5
180.10233	0.5
181.04996	0.5
181.08498	0.3
183.02843	0.3
183.07967	0.4
185.05971	1.0
185.09529	0.3
187.06001	3.1
187.07561	1.2
187.11200	0.3
189.05528	2.0
189.06924	0.3
189.07492	0.4
189.09093	4.1
191.03378	0.7
191.07018	1.6
191.14276	0.6
193.08629	0.3
195.02919	1.2
195.08141	0.4
197.05981	0.4
199.05931	0.7
199.07614	0.7
201.05511	0.7
201.09082	1.5
203.03493	0.3
203.07039	1.1
203.10698	0.6
205.05064	0.5
205.07043	1.1
205.08655	0.3
207.06456	1.4
207.10135	3.0
207.13565	0.3
209.08025	0.4
209.15269	0.3
211.05873	0.5
211.07576	0.7
213.05466	1.0
213.09088	1.1
215.06935	1.3
215.10689	0.8
217.04970	0.4
219.02895	0.6
219.10168	0.3
227.07068	1.2
229.04994	0.4
229.06729	1.2
229.08939	0.4
231.06540	1.0
231.10127	1.9
235.05925	0.6
239.06970	0.5
241.04926	0.5
243.10237	0.5
245.07947	0.5
247.08092	1.1
249.11282	0.5
251.07031	0.3
253.06909	2.0
255.06575	0.8
255.10124	0.5
257.04095	0.3
257.08109	0.8
257.11768	0.7
261.03934	0.4
269.04401	0.6
269.08035	0.4
270.05072	0.4
271.05728	0.4
271.07697	4.0
271.09915	1.6
273.07593	0.7
273.11105	0.5
277.08704	0.4
279.09952	0.4
283.09454	0.5
285.04568	0.4
285.07538	2.1
285.11313	0.7
286.04718	0.7
287.05487	0.8
289.09122	2.8
293.08057	0.4
295.06149	0.6
295.09604	2.3
297.07550	0.8
297.11246	1.0
299.09467	0.3
301.06992	4.8
302.07404	0.4
307.09863	0.8
309.07748	0.4
309.11105	0.4
311.05719	1.3
311.08917	0.5
311.12686	0.4
313.07144	0.6
313.10687	6.7
315.08792	0.6
315.12317	0.8
319.09714	0.7
321.07648	0.5
323.09134	0.3
323.12817	0.4
325.07196	0.5
325.14368	1.1
327.08563	0.5
327.94315	0.3
331.10239	0.6
335.09268	0.4
337.06982	0.3
337.10660	3.3
339.08563	1.1
343.15329	2.5
349.10837	0.7
349.14465	0.8
351.12277	0.3
353.10104	0.7
355.11380	0.9
355.15469	0.9
361.10590	1.1
363.12622	0.4
365.10367	0.6
367.11636	0.4
367.15472	3.2
373.06995	0.3
373.10858	1.2
375.08844	0.3
379.11679	3.5
379.15814	0.3
383.10971	0.4
385.11642	0.3
385.16278	1.3
391.15921	1.4
393.13449	0.4
397.11465	1.4
403.11588	1.0
409.16553	1.4
411.14267	0.5
415.11951	2.1
421.12753	0.4
427.10892	0.4
433.16995	3.2
439.14209	0.5
445.11902	0.3
451.17963	2.6
457.16592	1.2
475.17563	1.3
487.13708	0.3
493.18488	0.6
499.17276	0.8
505.14618	0.3
511.12253	0.3
517.18658	0.5
523.16302	0.6
529.16895	0.7
541.18091	1.3
559.19128	0.8
577.19336	0.5
595.21539	0.5
601.20190	0.6
619.21887	0.3
649.18982	0.5
667.20123	1.1
685.21649	1.0
703.23010	1.8
721.24005	1.2
739.25140	1.1
757.26599	0.4
919.33203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
67.01868	0.1
67.05491	0.2
68.99805	0.2
69.03423	4.5
69.07063	0.2
69.27915	0.8
69.28347	0.8
70.06566	0.4
71.01321	0.2
71.04988	1.2
72.08156	0.3
73.02912	2.4
78.40428	0.1
79.05477	0.4
81.03408	6.8
81.07088	0.3
83.04975	1.1
83.63632	0.1
84.08128	0.3
85.02895	10.3
87.04455	0.6
91.03985	0.2
91.05457	1.0
93.07023	0.6
94.06569	0.1
95.04955	0.6
95.08571	0.2
97.02881	7.1
97.06499	0.1
98.09660	0.2
98.12524	0.1
98.21523	0.3
99.04444	10.6
101.02377	0.2
103.03931	5.9
105.07021	0.5
107.04958	0.3
107.08550	0.2
109.02864	13.1
109.10152	0.2
111.04432	0.6
112.07546	0.1
115.03905	1.0
119.04918	1.1
119.08556	0.4
121.02834	0.3
121.06484	0.5
121.10082	0.2
123.04411	5.8
123.08042	0.1
125.02331	0.3
125.05961	0.2
127.03902	100.0
128.04251	0.7
129.06970	0.2
131.08578	0.2
133.06441	0.2
135.04399	0.5
135.07974	0.2
137.02322	0.3
137.05954	0.7
139.03888	0.3
140.07027	0.2
143.07014	0.2
145.04945	9.5
145.10143	0.1
147.04399	3.5
147.05513	0.3
147.08022	0.3
147.11714	0.3
149.02324	0.1
149.05956	1.0
149.13145	0.2
151.03905	0.4
151.07518	0.2
153.01901	0.1
157.04974	0.3
157.06393	0.1
159.08044	0.2
159.11746	0.1
160.05147	0.2
161.05933	0.9
163.03929	0.4
163.06021	1.2
163.07553	0.8
163.11179	0.2
165.01869	0.2
165.05479	1.3
165.09163	0.2
167.06995	1.5
169.04971	1.4
169.06369	0.2
171.04218	0.2
173.05963	0.5
175.03870	0.8
175.07446	0.4
177.05499	0.3
177.09091	0.5
178.71783	0.1
179.06996	0.2
181.04913	0.3
185.05937	0.2
187.06006	3.8
187.07578	0.9
189.05464	1.1
189.09093	0.3
191.07045	0.3
191.14288	0.4
193.04924	0.3
193.08646	0.2
197.06094	0.3
199.05998	0.4
199.07594	0.4
201.09079	0.3
203.06993	0.2
205.04985	0.2
205.06982	1.0
205.08615	4.1
207.06500	1.2
209.08046	0.4
211.05925	0.7
213.05498	0.6
213.09126	0.3
215.07063	0.4
215.10558	0.2
217.05000	0.2
217.08591	0.4
223.05858	0.2
225.05693	0.2
227.06979	0.3
229.06735	1.2
229.08728	0.6
231.06458	0.8
231.10181	0.5
235.06033	0.7
239.06987	0.2
241.06979	0.3
243.10175	0.3
245.07999	0.3
247.07774	0.9
251.07135	0.2
253.07010	1.9
255.06488	3.9
255.09431	0.2
255.10326	0.2
256.06787	0.2
271.05984	0.3
271.08075	5.0
279.10965	0.1
283.05939	0.2
285.07568	0.4
285.11224	0.3
289.09167	3.0
295.06125	0.2
295.09802	0.4
297.11472	0.2
301.06964	0.3
307.10193	0.5
313.10764	1.1
317.06607	0.4
325.07330	0.2
331.10422	0.6
337.06931	0.3
339.08383	0.3
339.12369	0.4
341.13776	0.6
349.11249	0.4
353.13977	0.3
355.10626	0.2
365.13992	1.1
373.11234	0.7
377.13687	0.4
379.10492	0.3
381.13364	0.2
383.14975	0.4
389.13794	0.5
391.12146	0.5
397.11298	0.9
407.14801	0.8
415.12326	1.8
419.15091	0.2
431.14856	2.3
433.13205	0.8
449.15933	1.8
451.14316	0.3
455.14819	0.8
467.17004	0.4
473.15976	1.0
491.16995	0.3
497.07886	0.2
497.15894	0.6
515.16956	0.4
533.17999	0.2
539.17065	0.4
541.15295	0.4
549.14130	0.2
557.17743	0.5
575.18890	0.4
577.17816	0.2
593.19983	0.3
683.21057	0.2
701.22382	0.4
719.23523	0.4
737.24591	0.2
755.23376	0.2
917.37158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
64.91563	0.1
65.03931	0.1
66.60194	0.1
67.05484	0.5
68.05031	0.1
68.99783	0.3
69.03421	5.0
69.07043	0.2
69.14384	0.1
70.06564	0.4
71.01325	0.1
71.04988	1.6
71.62403	0.2
72.08136	0.4
73.02909	2.5
79.05466	0.3
79.20183	0.1
81.03408	6.5
81.07050	0.4
83.04966	1.0
84.08137	0.3
84.14682	0.1
85.02892	10.6
87.04448	0.6
91.05461	0.9
93.07026	0.4
95.04965	0.7
95.08616	0.2
97.02882	6.4
98.09666	0.3
99.04441	10.7
101.02382	0.1
101.05976	0.1
103.03928	6.0
103.05376	0.2
105.07030	0.8
107.04947	0.4
107.08584	0.4
109.02865	13.9
109.06587	0.2
109.10155	0.3
111.04424	0.5
112.07576	0.1
115.03912	0.6
115.05451	0.2
119.04925	0.4
119.08572	0.2
121.02909	0.3
121.06473	0.4
121.10120	0.2
123.04416	5.6
123.08025	0.2
125.02337	0.1
125.05965	0.1
125.09544	0.1
127.03899	100.0
128.04234	0.7
129.05478	0.1
129.06982	0.1
131.04921	0.3
131.08554	0.2
133.06487	0.3
133.10101	0.2
135.04408	0.4
135.08043	0.2
137.05954	0.8
139.03873	0.2
140.07063	0.2
144.42111	0.1
145.04941	9.4
145.06357	0.3
145.10068	0.3
147.04391	2.7
148.04768	0.2
149.05992	0.8
149.09605	0.3
149.13187	0.1
151.03883	0.5
151.07532	0.2
152.07127	0.1
153.01837	0.3
155.08504	0.1
157.04950	0.3
159.08032	0.4
160.05162	0.1
161.05956	0.6
161.09615	0.2
163.03894	0.5
163.06003	1.1
163.07532	0.8
165.05464	0.9
167.07031	1.6
169.04964	1.1
171.04347	0.1
171.08012	0.1
173.04623	0.2
173.05916	0.6
173.09590	0.2
175.03917	0.5
175.07544	0.3
175.14717	0.2
177.05414	0.6
177.09114	0.5
179.07076	0.2
181.04944	0.3
185.05984	0.2
187.05997	3.6
187.07561	0.9
189.05461	1.1
189.09099	0.3
191.06940	0.2
191.14281	0.2
193.04913	0.2
193.08603	0.3
197.05968	0.2
199.05991	0.5
199.07419	0.2
201.05389	0.1
201.09135	0.5
203.07039	0.2
203.10733	0.2
205.05112	0.2
205.06996	1.0
205.08606	4.4
207.06491	0.7
208.09656	0.1
209.08038	0.3
211.05904	0.8
213.05490	0.7
213.09093	0.2
215.07071	0.4
217.05121	0.2
217.08595	0.4
219.10149	0.2
227.06984	0.5
227.09027	0.2
229.04807	0.2
229.06686	1.2
229.08688	0.6
231.06602	0.7
231.10146	0.3
235.05943	0.6
239.06972	0.2
241.08601	0.2
243.10202	0.2
245.07979	0.2
247.07849	0.9
253.07014	2.1
253.09534	0.2
255.06511	0.7
255.10307	0.2
269.08002	0.2
271.06070	0.2
271.08035	5.1
283.06046	0.2
285.07651	0.2
285.11246	0.2
286.63684	0.1
289.09140	2.9
295.06070	0.3
295.09604	0.3
297.07477	0.2
297.11337	0.1
299.08984	0.1
301.06985	0.6
301.10052	0.1
307.05997	0.1
307.10135	0.4
309.07434	0.2
313.10925	0.9
321.07492	0.2
325.07101	0.3
327.08643	0.5
327.12137	0.2
331.10046	0.6
337.06964	0.2
339.08667	0.2
339.12314	0.3
341.13782	0.7
349.07230	0.2
349.11377	0.4
351.08530	0.2
353.13773	0.4
355.01666	0.1
355.10385	0.2
365.13858	1.0
367.11749	0.3
371.11377	0.2
373.11060	0.9
377.13818	0.3
379.10614	0.3
383.15036	0.6
389.13724	0.6
391.07867	0.1
391.12326	0.4
397.11459	0.9
407.07983	0.1
407.14847	0.7
411.14246	0.2
415.12238	2.3
419.14746	0.2
427.10187	0.2
431.14856	2.6
432.15671	0.2
433.13318	0.8
449.15948	2.2
451.14670	0.2
455.14917	0.9
467.16605	0.3
473.15848	1.3
491.16739	0.4
497.15649	0.6
515.17029	0.4
539.17126	0.5
541.15253	0.3
557.18268	0.6
575.19220	0.3
577.17419	0.2
593.20105	0.4
599.19043	0.2
609.17499	0.3
693.27258	0.1
701.21820	0.4
719.22943	0.4
737.23792	0.4
755.24854	0.2
757.00537	0.1
917.34338	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	917.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.2
67.05487	0.1
68.99782	0.1
69.03423	4.3
70.06581	0.6
70.08305	0.5
71.01344	0.2
71.04980	1.2
72.08149	0.5
73.02907	2.7
79.05476	0.5
81.03409	7.0
81.07050	0.3
83.01326	0.2
83.04973	1.1
84.08144	0.3
85.02894	11.1
86.03265	0.1
86.09693	0.3
87.04457	0.6
91.03940	0.2
91.05470	0.9
93.07027	0.2
94.04196	0.6
95.04958	0.4
95.08589	0.2
97.02882	7.1
97.06453	0.1
98.20813	0.1
99.04443	11.3
101.02367	0.3
103.03930	5.2
103.05431	0.4
105.03360	0.1
105.07037	1.1
107.04966	0.5
107.08546	0.1
109.02867	14.1
109.06495	0.4
110.02414	0.2
111.04453	0.5
112.07625	0.1
113.77694	0.1
115.03928	0.9
115.05419	0.4
117.03395	0.1
117.05493	0.2
117.07000	0.3
119.04930	0.5
119.08560	0.7
121.02914	0.1
121.06464	0.2
122.03642	1.2
123.04482	0.6
125.02305	0.5
125.05994	0.2
127.03902	100.0
128.04234	1.1
128.06181	0.2
129.06964	0.5
131.04887	0.6
131.08536	0.1
132.05679	0.3
133.06462	0.8
133.10153	0.1
134.03589	0.1
135.04376	0.3
135.11711	0.1
137.05963	17.7
138.06337	0.2
139.03867	0.2
140.07126	0.2
141.05415	0.1
143.04906	0.2
144.05693	0.2
145.04945	9.6
147.04390	1.8
147.08014	0.6
148.04771	0.1
149.05960	0.4
150.87030	0.1
151.03882	0.6
151.07523	0.5
153.05374	0.2
153.07117	0.1
155.04799	0.2
157.04955	0.3
157.06483	0.2
158.19815	0.1
159.08022	0.6
160.05167	0.3
161.04579	0.2
161.05957	2.3
163.03880	0.3
163.05997	1.4
163.07520	0.9
165.05486	0.2
165.09068	0.1
167.07024	1.0
169.04970	1.0
169.06369	0.2
171.07980	0.2
172.05199	0.3
173.05939	0.2
175.03940	0.3
175.06013	0.2
175.07530	4.0
175.14775	0.1
177.05466	0.3
179.06963	0.3
179.56372	0.1
181.04889	0.2
181.06523	0.2
181.08621	0.1
184.05180	0.1
187.05986	3.4
187.07547	1.6
189.05521	0.2
189.06975	0.1
189.09096	0.2
190.07758	0.4
191.06937	0.2
191.08534	1.5
191.14272	0.1
193.04868	0.3
193.06586	0.1
193.08540	0.2
195.08087	0.1
199.05986	0.4
199.07564	0.8
201.09163	0.1
202.07790	0.4
203.06969	0.1
203.08563	0.7
205.05014	0.2
205.07011	1.4
205.08701	0.2
207.06482	0.5
207.08202	0.1
209.07988	0.6
211.05977	0.6
211.07747	0.2
213.09149	0.2
215.06891	0.2
217.04941	0.3
217.08548	0.4
218.07222	0.5
219.08037	2.5
220.08635	0.5
223.05777	0.2
227.07031	0.1
227.09158	0.2
229.06856	0.7
229.09059	0.1
231.08052	1.0
232.08797	0.2
233.09769	0.2
235.05818	1.1
235.07986	0.1
236.08220	0.6
237.08942	0.2
241.06836	0.1
243.08084	0.2
245.09976	0.2
247.07640	1.5
248.08258	0.4
249.09068	0.3
251.10663	3.8
253.06966	2.8
253.09447	0.1
255.06564	0.1
259.07419	0.8
260.08252	0.7
261.09070	0.3
263.10626	0.5
264.07785	0.4
265.08618	0.3
267.10281	0.1
271.08105	6.6
272.08344	0.2
276.07758	0.4
277.08554	0.4
279.10144	2.6
280.10849	0.3
281.08005	0.5
281.11740	0.1
287.07657	0.3
289.09100	2.7
290.09167	0.2
291.06958	0.2
291.10092	1.9
292.10724	0.1
293.11594	0.2
295.09772	0.2
295.12921	0.2
296.10474	0.4
297.07773	0.2
297.11206	0.2
303.09915	0.3
305.11597	0.1
307.10034	0.5
308.10483	0.2
309.11212	0.2
310.11884	0.1
311.12747	7.5
312.13080	0.1
313.09293	0.3
315.10092	0.2
320.10385	0.1
321.11169	0.4
323.12769	3.4
324.12769	0.2
325.14166	0.4
327.08817	0.1
331.10059	0.3
333.11215	0.3
335.12839	0.5
341.14124	0.5
347.12692	0.2
348.83282	0.1
349.11047	0.2
353.13809	0.8
355.10257	0.1
359.12689	0.2
359.23129	0.5
359.73154	0.1
365.13754	0.5
369.11661	0.2
373.11298	0.2
377.13867	0.3
378.40768	0.1
379.10086	0.5
389.13614	0.2
391.15207	0.1
397.11316	1.3
401.13727	1.2
407.14673	0.2
413.13773	0.2
415.07135	0.2
415.12302	2.5
419.14758	0.8
431.15192	0.5
433.13284	1.1
437.15857	0.5
443.14700	0.3
449.15631	0.1
451.14011	0.3
455.16684	0.3
473.16669	0.1
521.17993	0.2
541.15344	0.4
545.17487	0.2
563.18915	0.3
577.17230	0.2
581.19879	0.2
689.21533	0.3
707.22357	0.5
725.23541	0.4
755.25671	0.1
839.79266	0.1
917.34698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.6
65.18964	0.2
67.05504	0.7
68.99803	0.2
69.03062	0.3
69.03427	5.2
70.06587	1.3
71.01358	0.4
71.04987	1.4
71.62852	0.3
72.08156	1.7
73.02538	0.2
73.02911	2.0
77.03925	0.5
79.05489	0.7
81.03414	7.8
81.07056	0.5
83.01350	0.4
83.04983	1.7
84.08145	0.8
85.02900	9.9
86.09708	0.4
87.04475	0.7
89.03914	0.7
89.10783	0.2
91.05473	15.6
92.05819	0.3
93.03400	0.5
93.07037	0.5
95.04975	1.1
95.05460	0.2
97.02886	23.8
97.07607	0.2
98.03260	0.2
99.04450	10.5
100.04786	0.2
103.03936	4.5
103.05429	1.2
105.03416	0.4
105.07030	0.7
107.04967	1.0
107.05616	0.2
107.08610	0.3
109.02870	15.3
109.06493	0.2
109.49724	0.2
110.02393	0.8
110.03094	0.3
111.04455	1.0
114.10281	0.3
115.03963	0.9
115.05413	0.3
117.03371	0.3
117.05466	0.2
117.07004	0.5
118.04153	0.4
118.90749	0.2
119.04935	25.7
119.08616	0.3
120.05245	0.3
120.08100	0.2
121.02847	1.1
121.06517	0.6
122.03690	0.2
123.04430	0.9
125.02357	0.9
127.03906	100.0
128.04274	0.6
129.03384	0.5
129.05542	0.2
129.06911	0.2
129.10185	0.3
130.04129	0.2
131.04950	0.8
131.08611	0.3
132.02040	0.9
133.02852	0.4
133.04979	0.2
133.06468	0.6
133.10201	0.3
134.03630	0.2
135.04419	0.8
136.05234	0.2
137.02254	0.4
137.05951	0.7
139.03888	0.7
140.04662	0.4
140.07076	0.4
141.06999	0.6
143.04874	0.3
144.05699	0.5
145.02890	0.8
145.04951	6.9
145.06238	0.3
146.03578	1.0
147.04402	28.6
148.04805	0.7
149.02335	2.1
149.06000	0.7
150.03123	0.2
151.03900	0.7
151.07611	0.2
152.07079	0.7
153.01817	0.3
153.05420	0.3
153.06868	0.2
157.03896	1.6
157.05125	0.3
157.06508	0.4
159.04454	0.3
159.08002	0.4
160.05132	0.3
161.05998	1.0
162.03093	0.3
163.03917	1.1
163.06000	1.3
163.07401	0.4
164.04666	0.8
165.05525	0.4
167.01936	0.3
167.03374	5.3
167.07045	2.2
169.04958	1.1
169.06377	0.4
173.04596	0.2
173.06007	0.8
174.03088	1.1
175.03896	41.6
176.04482	0.9
177.05466	1.6
179.07034	2.0
179.25842	0.2
181.04930	1.0
184.05240	0.2
185.05954	0.2
187.05994	2.6
187.07556	0.8
189.05424	0.7
190.06085	0.3
191.03526	0.2
191.06911	1.0
192.04161	2.8
193.04938	0.6
193.08600	0.8
197.06012	0.6
199.06018	0.4
201.05432	0.6
204.04230	0.5
205.04906	0.9
205.07034	1.2
205.08531	0.5
207.06512	99.8
208.06850	1.3
209.08031	1.0
211.05855	0.4
213.05618	0.3
214.06186	0.2
215.07036	0.3
217.04887	0.6
217.06847	0.4
219.06514	8.8
219.10054	0.5
220.06935	0.2
221.08006	0.6
223.05966	0.7
227.07014	0.4
227.09201	0.3
229.06898	0.6
229.08908	1.1
230.05838	0.3
231.06537	0.7
233.04530	0.3
233.07961	0.2
235.06056	1.1
241.06880	0.9
242.05811	0.2
243.06454	0.3
245.08003	0.4
245.10303	0.2
247.09735	0.5
249.07581	0.5
251.05368	0.2
253.07019	2.5
253.09212	0.3
255.06625	0.3
257.08063	0.8
259.09891	0.4
271.06061	0.4
271.08133	5.6
273.07507	0.8
275.09076	2.6
283.05969	0.4
285.07562	0.4
287.09235	0.3
289.09174	3.2
291.08646	0.3
295.05823	0.4
297.07413	0.9
299.09235	0.2
301.09091	0.6
303.08627	6.4
307.10071	0.4
315.08630	2.5
321.09644	3.7
333.09558	0.5
339.10989	2.4
345.09662	0.4
367.10272	0.6
379.10272	0.3
381.11725	0.4
385.11163	0.8
393.09622	0.2
397.11246	1.5
403.12219	0.5
411.10635	0.6
415.12296	3.2
415.20901	0.2
429.11478	0.5
433.13406	1.9
447.12988	0.9
451.14548	0.3
459.12573	0.2
462.84314	0.2
511.14343	0.5
517.18292	0.3
529.15735	0.4
541.15649	1.1
547.16437	0.2
573.14874	0.3
577.17700	1.0
591.17059	0.2
593.23053	0.4
699.18903	0.2
717.19958	0.3
735.20648	0.5
753.20898	0.3
789.24695	0.2
915.32043	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	915.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.5
65.04237	0.3
67.05502	0.8
69.02631	0.3
69.03067	0.4
69.03425	6.2
69.03801	0.3
70.06592	2.1
71.04999	1.4
72.08155	2.4
73.02903	2.3
77.03909	0.3
79.05482	0.7
81.03412	8.8
81.07027	0.4
83.04977	2.1
84.04462	0.3
84.08133	0.8
85.02901	10.7
86.03251	0.3
86.09697	0.6
87.04440	0.5
89.03890	0.5
91.05473	11.0
93.03411	1.4
93.07052	0.5
95.01331	0.4
95.04970	1.4
97.02882	30.3
98.03201	0.3
98.20716	0.6
99.04446	11.5
103.03931	4.9
103.05434	0.7
105.03358	0.3
105.07043	0.7
107.04936	0.9
109.02870	16.0
109.10167	0.3
110.02393	0.9
111.04430	1.1
112.07629	0.3
114.10307	0.4
115.03950	1.3
115.05446	0.5
115.08710	0.3
117.05568	0.3
117.07036	0.3
118.04224	0.3
119.04933	21.2
120.08072	0.3
121.02869	1.5
121.06520	0.6
123.04455	1.3
125.02337	1.0
127.03905	100.0
128.04291	0.7
128.06184	0.3
129.03384	0.4
129.07048	0.3
131.04915	1.0
131.08545	0.6
132.02071	0.7
133.02824	0.3
135.04414	0.6
135.08139	0.3
136.07584	0.3
137.02281	0.4
137.05962	0.5
139.03911	1.2
141.05461	0.4
141.07005	0.7
144.05653	0.6
145.02917	0.6
145.04944	7.7
145.06209	0.6
146.03519	0.3
147.04396	23.1
148.04866	0.6
149.02328	3.2
149.05962	0.4
151.03906	0.8
151.07530	0.3
152.07056	0.8
153.05403	0.5
154.06221	0.5
155.07037	0.7
157.03891	1.3
157.05118	0.4
157.06483	0.4
159.04475	0.3
159.08044	0.8
161.05956	1.2
163.03877	0.8
163.06032	1.0
163.16103	0.3
164.04686	0.6
165.05472	0.4
167.03391	13.2
167.07034	2.7
168.07402	0.3
169.04930	1.0
169.06442	0.7
169.09727	0.5
169.80196	0.3
173.05965	0.6
174.03134	0.5
175.03897	35.4
176.04483	0.4
177.05482	2.2
179.06998	2.2
181.04951	1.7
181.06433	0.6
181.08549	0.3
186.06676	0.3
187.04234	0.3
187.05983	2.8
187.07538	1.5
189.05542	0.6
191.06990	0.6
192.04163	1.6
193.04950	0.5
197.05972	0.8
197.07654	0.3
199.07491	0.4
203.03419	0.4
203.07007	0.4
205.04964	1.7
205.06996	1.0
205.08714	0.4
207.06511	88.1
208.06847	0.8
209.08060	1.2
211.05974	0.8
215.06989	1.3
217.04968	0.6
217.08603	0.3
218.09241	0.4
219.06543	4.2
219.10089	1.1
223.06007	1.0
225.07361	0.4
227.09204	0.4
229.04968	0.3
229.08803	1.4
231.06523	0.3
235.05884	1.3
235.14471	0.5
241.06946	0.7
242.05798	0.3
243.06485	0.6
245.07993	0.6
247.09613	1.0
253.07054	2.7
257.08115	1.7
271.08182	5.3
273.07468	0.5
275.09131	5.6
285.07416	0.4
287.09131	0.4
289.09174	2.1
291.08621	0.4
297.07477	0.8
303.08615	5.4
309.07175	0.3
313.09290	0.4
315.08612	1.6
321.09665	9.6
333.09842	0.4
339.10797	7.1
351.10791	0.6
357.09491	0.3
367.10126	0.8
379.10223	0.8
385.11734	0.3
393.09546	0.4
397.11252	1.3
411.10593	0.5
411.18985	0.3
415.12308	2.8
429.11603	0.4
433.13434	1.2
447.12552	0.6
475.13443	0.3
541.15552	0.7
577.17389	0.5
621.16962	0.3
657.19745	0.8
753.21686	0.6
789.24121	0.5
915.33563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	11.5
67.47046	0.7
69.03402	1.8
69.07059	5.0
71.05000	1.2
71.08624	20.6
71.53767	1.2
72.67887	0.7
73.02880	1.4
78.68392	0.7
79.05481	7.1
81.03407	54.7
81.06576	0.8
81.07046	16.1
83.04939	2.4
83.08147	1.2
83.08609	19.0
85.02889	5.3
85.09712	0.8
85.10173	10.8
91.03941	3.6
91.05468	9.1
93.07017	6.1
95.04960	15.8
95.08595	15.3
97.02882	3.8
97.06524	1.0
97.10156	5.7
105.07014	7.8
107.04933	4.0
107.08552	2.4
109.02824	0.7
109.06529	1.8
109.10157	7.1
111.04428	1.2
111.08081	5.1
111.11689	0.8
115.05443	0.9
117.07008	1.6
119.08565	8.1
121.06485	2.5
121.10146	3.3
123.04429	1.0
123.08000	0.9
123.11674	3.0
127.03844	1.2
129.07005	5.1
131.08557	5.4
133.06480	2.1
133.10092	2.7
135.07983	0.7
135.11633	1.6
135.97115	0.7
142.07726	1.2
145.04919	2.0
145.10112	0.8
147.07971	2.0
147.11659	5.8
149.09570	3.1
157.10121	6.5
159.11522	0.6
163.05998	3.2
163.11169	1.2
165.12737	1.6
175.11188	7.3
193.12228	21.9
207.01027	0.7
211.13240	1.2
221.15334	0.7
221.22720	0.8
235.13232	1.2
239.23613	2.7
249.14839	2.0
257.24728	1.7
259.13345	1.3
267.15881	100.0
268.16211	1.0
298.27481	0.7
301.14285	1.4
309.17001	2.8
313.27328	94.4
505.38834	83.2
505.44617	1.3
523.39722	3.0
547.40039	6.5
555.40271	1.3
565.41217	1.3
575.40283	0.7
589.40448	1.1
601.40753	2.4
613.40826	1.5
614.63519	0.7
631.41663	2.5
649.41724	1.1
660.08685	0.8
775.44965	0.8
872.48639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.1
67.05499	15.0
69.03424	15.8
69.03803	0.9
69.07064	15.0
69.07446	0.8
69.76212	2.4
71.01358	3.4
71.04988	49.7
71.08614	1.2
73.02911	16.4
75.04474	6.4
77.03913	0.5
77.16265	0.3
79.05485	7.3
81.03421	2.6
81.07051	43.8
82.07392	0.5
83.04473	0.9
83.04974	20.4
83.08611	10.4
85.02898	91.0
85.06502	0.4
86.03255	0.4
87.04469	3.0
91.03941	0.4
91.05469	5.6
93.07039	19.8
94.07385	0.4
95.01325	4.9
95.04971	3.2
95.08599	76.5
96.08945	0.8
97.02888	31.5
97.06538	1.0
97.10156	5.6
99.00820	1.4
99.04443	2.9
99.08074	1.1
101.06010	1.1
103.03924	1.9
105.07018	13.9
107.04935	0.8
107.08585	39.2
109.02867	1.5
109.06506	1.6
109.10148	47.1
111.04436	21.3
111.08070	0.7
111.11724	2.6
113.02332	3.0
113.06002	1.4
115.03922	19.1
117.05496	1.7
117.07030	1.5
119.08572	22.7
121.10135	39.2
123.00808	0.5
123.04414	0.8
123.08081	0.8
123.11700	25.1
125.02370	0.6
125.05991	0.7
125.09640	1.2
125.13268	0.6
127.03896	2.0
129.05470	30.3
131.03397	0.9
131.08565	7.5
133.04959	4.4
133.10124	21.0
135.04431	1.4
135.11687	26.2
137.02309	1.0
137.09633	0.8
137.13245	25.5
139.03880	2.1
139.11159	2.3
141.01820	24.6
143.03352	0.9
143.08551	1.3
144.09348	0.4
145.05006	1.0
145.10114	8.7
146.08096	0.9
147.06508	17.4
147.11681	15.0
147.12885	0.4
149.02350	0.5
149.13246	27.9
151.03911	1.0
151.11136	0.8
151.14810	2.0
153.05470	1.4
155.03474	0.5
157.04959	2.9
157.10141	1.4
159.01529	0.4
159.02882	10.6
159.11678	11.1
160.12433	0.7
161.04471	0.5
161.05930	0.5
161.13245	16.9
163.03926	0.8
163.06003	3.3
163.11179	1.5
163.14809	13.2
164.09187	3.7
165.01860	0.5
165.05525	0.5
165.07530	2.1
165.12766	1.1
167.14310	0.5
169.04942	1.6
171.06514	2.0
171.11678	2.0
173.04517	0.5
173.13248	9.1
174.13979	0.5
175.03912	0.4
175.14815	15.6
175.41762	0.3
177.03938	1.3
177.12762	1.0
177.16379	23.2
179.07004	0.5
179.14316	0.6
179.17949	2.2
181.04962	1.1
183.02875	0.8
183.06549	0.6
185.13287	1.9
187.05988	0.4
187.14793	7.3
189.16373	12.5
190.16693	0.4
191.14317	0.7
191.17937	19.3
193.15900	0.9
193.19536	0.7
199.06012	1.9
199.14812	1.3
200.15530	0.5
201.16362	10.1
203.17940	18.3
204.18353	0.6
205.15887	2.1
205.19501	23.3
206.19768	0.6
207.06488	0.7
207.17390	3.3
213.07579	0.7
213.16400	1.9
215.15822	0.7
215.17940	14.6
217.07027	3.3
217.19519	13.9
219.04996	1.9
219.17490	5.5
219.21045	4.1
221.19020	3.6
225.07568	14.6
227.17947	3.1
227.46071	0.4
229.19507	16.6
230.19810	0.4
231.08652	1.0
231.21060	4.6
233.18979	10.4
233.22569	0.5
235.20541	1.0
241.19505	2.9
243.08617	9.6
243.21089	3.4
245.22673	3.3
247.20563	5.6
255.04984	2.2
255.21089	2.6
257.22592	6.8
259.20599	1.2
259.24017	0.4
261.06116	0.4
261.09763	3.8
261.22064	1.1
269.06589	2.1
269.22586	4.1
271.24237	1.8
273.05997	4.3
273.22119	2.2
275.23645	5.1
279.10730	20.5
283.24155	2.0
285.25696	0.5
287.07617	5.8
287.23685	2.7
289.25171	0.4
291.06989	2.7
295.24261	0.4
296.13455	0.5
297.25702	1.4
299.27341	0.4
301.25189	1.5
305.08655	9.7
309.08145	3.7
311.27347	0.5
313.28973	1.6
323.09671	4.1
323.27414	0.5
337.28775	0.4
351.30334	0.6
353.32022	2.6
367.33636	0.5
401.10455	0.8
407.36688	32.9
408.37030	0.9
411.14624	0.5
425.37750	100.0
426.38159	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	912.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
64.62560	0.4
65.03932	0.7
67.05163	0.5
67.05500	8.7
68.68517	0.5
69.03423	13.6
69.07056	8.7
71.01344	3.5
71.02306	0.9
71.04986	48.9
71.08623	0.7
72.08141	0.5
73.02911	14.1
75.04471	4.9
79.05487	5.0
81.03424	1.6
81.07049	29.4
83.04461	0.8
83.04973	23.2
83.08602	5.3
85.02895	83.0
85.06516	0.6
86.06085	0.7
87.04446	2.5
91.05472	3.6
91.10621	0.4
92.09447	0.4
93.07032	12.5
95.01316	4.6
95.04958	2.7
95.08596	52.5
97.02882	31.9
97.06516	4.5
97.10143	2.2
99.00808	1.2
99.04446	2.5
99.08089	0.6
101.06008	0.9
103.03938	1.8
105.07020	8.4
105.07671	0.7
107.04939	0.8
107.08582	18.5
109.02872	1.5
109.06488	1.2
109.09512	0.4
109.10143	18.9
111.04432	20.8
111.08096	1.0
111.11792	0.5
113.02346	3.0
113.06017	0.9
115.03917	17.1
117.05490	1.3
117.06988	1.2
119.08569	15.9
119.09434	0.4
121.10136	21.1
123.00755	0.5
123.04424	1.0
123.08041	0.8
123.11695	10.9
125.02352	0.9
125.06007	0.7
125.09633	2.0
125.13235	0.4
127.03916	1.9
129.05464	30.1
131.03397	0.6
131.08557	5.4
133.04945	2.9
133.06540	0.6
133.10120	10.6
133.11057	0.7
135.04433	0.9
135.11674	10.9
137.02280	0.5
137.09644	1.2
137.13242	26.2
139.03900	1.7
139.11168	8.9
141.01811	19.9
143.03375	0.6
143.08542	2.4
145.04985	1.2
145.10112	7.2
146.08107	0.7
147.06506	13.2
147.11670	9.1
147.12767	0.7
149.04550	0.4
149.09587	0.6
149.13243	14.9
151.03951	0.6
151.11191	0.8
151.14801	2.0
155.03331	0.4
155.08546	1.1
157.04951	2.7
157.10104	3.8
159.02872	8.3
159.11670	9.7
160.12413	0.5
161.13239	9.6
163.03886	0.9
163.06009	2.2
163.11157	2.1
163.14798	4.1
164.09204	3.0
165.01860	0.8
165.05408	0.5
165.07617	1.4
165.12755	1.6
167.07031	0.7
167.14336	0.4
169.04977	1.4
169.10081	1.1
170.10919	0.6
171.06552	1.7
171.11658	3.7
173.04478	0.6
173.13214	5.6
175.14803	9.4
177.03964	1.0
177.12833	2.3
177.16364	12.6
179.17966	0.7
183.02884	0.7
183.06577	0.5
183.11719	1.3
185.13249	2.8
187.06044	0.6
187.14790	5.9
188.09142	0.6
189.12730	0.7
189.16389	5.1
191.14348	2.3
191.17937	8.5
193.15875	0.8
197.13251	1.0
199.06052	1.1
199.14809	3.7
201.16365	6.9
203.14349	1.1
203.17946	6.6
205.15869	3.2
205.19545	3.0
207.17499	1.0
211.14792	0.9
213.07550	0.9
213.16313	3.6
215.17938	9.2
215.19873	0.6
217.07047	2.8
217.15991	2.3
217.19456	4.7
219.05016	1.5
219.17441	8.5
219.21097	1.2
225.07549	11.9
225.16425	1.4
227.17928	7.6
229.19516	2.1
231.08722	0.8
231.17433	3.0
231.21057	1.6
233.19048	1.3
239.17764	1.0
241.19524	1.7
243.08626	7.9
243.17444	0.8
243.21074	0.5
245.18988	11.0
245.22699	1.0
251.05740	0.4
253.19603	1.5
255.04959	1.4
255.21017	2.8
257.19113	1.9
257.22638	1.6
259.08258	0.5
259.20578	1.5
261.09653	3.4
267.21060	2.0
269.06583	1.7
269.22510	2.0
271.20575	2.2
271.24179	1.6
273.06024	3.3
273.22101	5.6
279.10724	14.0
281.22626	1.0
283.24307	0.5
285.22150	3.4
285.25656	1.0
287.07614	4.3
287.23755	0.6
291.06979	2.3
296.13409	0.6
299.23648	2.6
305.08615	7.7
309.08124	2.6
311.27335	1.0
313.25082	0.5
323.09717	3.6
341.10706	0.5
363.30466	1.0
365.31937	1.6
367.29767	0.5
380.12009	0.5
381.31750	0.6
401.10962	1.0
405.35144	10.2
410.52963	0.4
423.36160	100.0
424.36505	1.7
441.37253	9.1
565.80585	0.5
702.99884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29158	0.2
67.05494	2.7
69.03427	3.5
69.07092	0.4
70.06575	0.2
71.04992	0.3
71.62275	0.2
73.02910	3.9
75.04472	0.2
76.94354	0.3
79.05487	1.4
79.42017	0.3
81.03410	2.1
81.07051	2.9
83.04977	0.9
83.08634	0.4
85.02898	6.6
87.04497	0.4
91.03944	4.2
91.05463	1.6
93.07037	2.1
95.04986	0.8
95.08594	1.9
97.02877	5.3
99.04475	0.8
103.03926	0.3
105.07019	1.2
107.08608	0.8
109.02882	0.5
109.10166	0.8
111.04472	0.3
115.03938	0.6
117.07011	0.4
119.08564	1.2
121.10180	0.8
123.11739	0.5
127.03927	1.9
131.08612	0.4
133.10161	0.8
135.11694	0.5
137.53618	0.2
145.04933	0.4
145.10112	0.3
147.11743	0.8
173.13272	0.4
175.11217	0.3
183.06728	0.3
185.04303	0.6
193.12288	0.5
198.33186	0.2
203.05373	0.6
243.08411	1.5
251.12682	0.6
269.12354	0.5
335.26047	0.6
344.51126	0.3
347.09500	2.4
348.36337	0.3
363.09348	0.4
365.10403	1.3
405.13623	4.3
445.00000	0.3
469.20444	3.4
519.29315	5.1
631.25653	3.2
647.84778	0.3
654.94269	0.3
666.56738	0.3
681.34497	6.1
747.42877	1.3
909.48077	100.0
910.48102	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	904.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12163	0.6
65.03928	1.6
67.05499	33.9
67.05865	1.6
69.03423	3.6
69.07064	9.7
71.04988	4.0
71.63260	0.9
73.02892	1.9
79.05486	24.6
81.03410	38.5
81.07050	35.8
82.28070	0.7
83.04975	9.9
83.08609	16.1
83.09106	0.9
85.02898	22.0
85.06535	1.8
87.31993	0.6
91.03946	7.6
91.04881	1.1
91.05468	25.1
93.07036	27.8
93.07622	1.5
95.04961	15.9
95.08593	22.1
97.02888	7.1
97.06512	2.5
97.10168	3.5
99.04446	0.7
99.08096	1.6
103.03941	0.8
105.07025	18.6
107.04927	3.4
107.08588	13.8
107.09285	1.3
109.06506	3.9
109.10146	8.6
111.04416	1.4
111.08071	6.7
112.69611	0.6
113.05988	1.4
115.05420	1.0
117.07025	3.6
118.57850	0.7
119.04899	0.9
119.08564	16.5
121.06498	1.4
121.10125	13.9
123.08052	2.1
123.11666	3.5
125.09635	2.2
127.03904	2.6
127.04803	0.6
128.34644	0.6
129.06999	7.9
131.08545	11.2
133.06474	1.9
133.10115	10.6
135.11678	6.0
137.09618	2.5
142.07774	1.6
143.08623	0.8
145.04962	2.7
145.10114	4.5
147.08047	2.5
147.11688	11.8
147.42287	0.6
149.09595	3.9
149.13235	4.1
151.11198	0.9
157.10101	10.7
159.11688	3.1
161.13206	1.4
163.05971	3.2
163.11220	1.5
163.14807	1.7
165.12781	2.5
172.83519	0.7
173.13284	2.3
174.05357	0.6
175.11163	10.3
175.14713	0.9
185.13176	0.7
187.14824	1.3
193.12225	28.9
211.13275	51.0
227.12743	1.0
227.20139	0.6
229.14284	0.7
233.22479	0.8
243.21126	2.8
261.22083	7.5
267.15897	12.8
285.16943	66.9
291.41928	0.6
301.25333	1.0
317.24762	1.4
335.25769	62.2
435.32617	2.0
453.33505	1.8
471.34698	1.6
493.98706	0.7
509.36566	0.8
524.81384	0.7
527.37366	13.4
545.38330	100.0
546.38727	2.0
717.21008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82507	0.9
67.05507	8.0
69.03419	1.2
69.07067	6.4
69.33391	9.5
71.08605	1.0
73.06557	2.0
79.05484	8.7
81.03409	12.6
81.07050	8.1
83.04956	2.1
83.08604	9.3
85.02889	8.3
87.04469	6.2
89.05471	1.9
89.06024	33.3
91.03963	2.2
91.05467	7.3
93.07040	4.3
95.04966	7.7
95.08595	6.1
97.02933	2.8
97.06551	1.4
97.10156	3.2
100.77080	1.0
101.06017	0.9
103.05473	4.2
105.07024	100.0
107.04955	1.9
107.07066	1.5
107.08607	1.7
109.10175	2.9
111.08076	2.3
115.05486	1.0
117.09048	1.0
119.08588	3.9
121.06508	3.4
121.10129	4.6
123.08083	0.9
123.11698	1.5
127.03918	1.5
129.07034	3.0
130.08739	1.0
131.06987	2.2
131.08551	8.0
133.08595	24.6
133.10158	2.7
135.11685	2.3
145.06512	1.0
147.08070	2.9
147.11690	3.6
149.09636	1.5
157.10153	4.0
162.08926	0.9
175.09772	1.8
175.11203	4.0
177.11211	11.4
193.12270	10.6
194.04997	1.1
196.97986	1.1
209.11905	0.9
211.13263	14.7
221.13815	1.9
225.12802	5.3
251.14317	10.9
253.15900	2.6
267.15991	4.2
269.15286	1.7
285.16998	21.3
285.20142	1.2
295.16785	1.1
313.17731	1.2
327.17453	1.8
327.91882	1.0
329.18933	8.5
339.28952	19.2
373.21396	4.8
387.09824	0.9
477.27945	3.6
531.40332	6.3
549.41431	39.7
616.72119	1.1
683.39734	2.2
705.76678	1.0
787.44568	1.4
891.51770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.3
67.05500	30.6
69.03421	3.4
69.07064	8.8
70.64921	1.0
70.65297	0.5
71.05000	2.6
71.08578	0.4
73.02906	2.2
77.03908	0.6
79.05486	25.9
81.03411	30.4
81.07051	35.4
83.04976	7.6
83.08611	13.4
85.02899	18.8
85.06496	1.4
91.03951	5.3
91.05474	22.3
93.07037	26.0
95.04964	15.1
95.08600	24.6
97.02879	5.5
97.06510	2.8
97.10169	2.6
99.04434	0.9
99.08039	1.3
103.03911	0.5
105.07021	15.4
107.04964	3.0
107.08589	14.8
109.02805	0.6
109.06517	3.0
109.09477	0.6
109.10155	10.1
111.04383	1.4
111.07360	0.4
111.08073	5.3
113.05959	1.5
113.09608	0.4
115.03879	0.4
115.05389	0.7
116.18531	0.4
117.07006	4.0
119.08572	12.9
121.06446	1.0
121.10133	14.3
123.08042	2.0
123.10905	0.4
123.11696	3.6
125.09583	1.4
127.03904	2.3
127.07531	0.6
129.07001	5.7
131.08560	10.3
133.06450	1.7
133.09087	0.6
133.10115	11.1
135.11678	6.6
137.09546	1.4
137.13225	0.8
139.11172	0.5
142.07755	1.1
143.08504	0.6
145.04953	2.2
145.05957	0.4
145.10104	5.1
147.08005	1.3
147.11682	9.3
147.79060	0.3
149.09639	3.3
149.13242	3.5
151.11192	0.6
157.08932	0.6
157.10118	7.8
159.11664	2.3
161.13234	2.5
163.06006	2.8
163.11176	0.7
163.14796	1.2
165.12759	2.2
169.10075	0.9
172.73923	0.4
173.13252	2.3
175.09737	0.6
175.11183	8.9
175.14746	0.9
180.08592	0.4
185.13185	0.7
187.14804	0.8
193.12238	22.8
201.16325	0.8
211.13280	30.0
220.12804	0.4
227.12697	0.8
229.14342	0.4
243.21063	2.5
261.22159	8.4
267.15887	9.1
275.19916	0.4
279.23264	0.6
285.16940	39.4
286.17209	0.6
301.25238	0.7
317.24725	1.6
335.25778	62.6
336.26096	0.9
435.32828	2.0
453.33542	1.9
471.34729	1.1
482.88321	0.3
509.35922	0.8
527.37311	11.4
545.38342	100.0
546.38422	2.1
563.39526	0.7
689.42261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43597	0.2
65.93933	0.2
66.34499	0.2
69.03407	0.2
69.34208	1.6
69.34632	0.5
70.06590	1.5
71.04961	0.2
72.03253	0.2
72.08146	2.5
81.03386	0.8
84.04484	0.3
84.08138	0.3
84.96001	0.5
85.02879	0.4
93.10263	0.2
97.02866	1.9
98.06059	0.4
98.06676	0.2
98.21508	0.4
98.97567	5.0
109.02870	3.2
110.06039	0.2
114.09118	0.3
116.44106	0.2
116.98601	7.7
119.04909	0.3
120.08059	0.2
122.09612	0.2
127.00791	0.2
127.03907	3.1
128.98605	0.4
131.00108	0.4
134.36882	0.2
134.99643	8.6
140.00166	0.4
143.00136	0.9
145.01723	0.3
146.99673	0.4
147.04379	1.4
149.01195	0.4
153.00723	1.4
153.01787	0.3
158.01251	0.5
158.99644	1.4
161.01204	2.8
162.99167	0.2
164.98482	5.2
167.07028	0.2
168.10165	1.1
170.99715	0.3
173.01181	0.6
174.99109	0.2
177.00676	3.5
177.05380	0.3
179.02248	0.6
182.99631	19.9
184.00056	0.2
185.01218	0.8
185.12785	0.4
187.03831	0.3
189.00679	0.4
195.01720	0.4
199.99944	0.4
200.02312	0.8
201.00684	100.0
202.01039	1.3
203.02368	1.7
205.06487	0.4
206.01250	1.3
207.01738	0.3
213.00580	0.2
215.02309	0.3
218.00853	0.4
219.01741	30.9
220.02142	0.4
224.02275	6.5
225.00687	1.7
233.05908	0.3
237.00696	0.2
237.02821	0.8
239.02238	0.5
242.01019	0.3
242.03133	1.4
243.01738	5.4
243.04201	0.3
247.04065	0.2
249.00751	0.6
249.05467	0.2
251.02248	0.6
253.08597	0.3
257.03244	0.5
261.00610	0.3
261.02847	3.1
265.18936	0.4
266.03354	0.5
267.01749	1.6
269.03210	1.9
273.00763	0.2
279.01614	1.0
279.06442	0.3
284.04388	0.3
285.02844	0.9
287.04358	0.3
290.65976	0.3
291.01730	1.5
297.02780	1.1
307.05911	0.3
309.02774	5.9
326.99945	0.4
327.03848	9.2
328.04037	0.3
333.02780	0.7
339.08542	1.9
345.04892	4.1
346.05414	0.2
350.05389	0.6
351.03839	18.1
352.04196	0.7
368.06570	0.7
369.04889	40.0
370.05209	0.8
387.05939	25.2
388.06244	0.6
392.06558	0.5
410.07486	3.1
411.05954	3.7
427.09033	1.5
429.06985	0.7
453.06635	0.9
455.18063	0.3
469.28494	0.2
470.28494	0.4
471.08112	18.9
472.08313	0.7
489.08981	0.2
490.89722	0.2
551.20282	1.1
569.21179	1.9
587.21863	0.9
589.09442	0.2
682.12897	0.2
735.91412	0.2
903.29547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	1.6
67.05497	29.6
67.99911	0.3
69.03417	2.1
69.07053	7.5
69.40943	3.9
71.01314	0.7
71.04983	2.9
71.08615	0.5
73.02905	3.4
77.03892	0.5
79.05485	24.5
80.05758	0.3
81.03410	9.3
81.07047	32.5
82.03716	0.4
83.01324	5.6
83.04974	7.9
83.08607	10.6
85.02893	15.2
85.06492	1.5
85.10146	0.3
91.03410	0.6
91.03947	9.7
91.05470	14.9
93.07031	31.9
94.07346	0.4
95.04959	6.3
95.08592	23.3
97.02293	0.6
97.02879	9.1
97.06530	3.4
97.10160	3.4
99.04454	2.6
99.08055	0.7
103.05395	0.5
105.04462	0.9
105.07020	11.6
107.04946	5.4
107.08581	20.2
109.02827	0.7
109.06507	4.8
109.10140	10.7
111.04407	1.7
111.08049	1.7
111.11652	0.4
113.09595	0.5
115.03852	0.7
115.05473	0.3
117.06207	0.5
117.06998	8.4
119.08569	12.7
121.06493	2.2
121.10128	14.3
123.07320	0.5
123.08053	5.8
123.11694	3.3
125.05947	1.2
125.09625	2.8
127.03232	0.3
127.03914	3.6
129.07005	1.9
129.45866	0.4
130.07738	1.0
131.04837	0.5
131.08543	7.8
133.10104	7.1
135.08080	2.0
135.11681	13.8
137.09583	2.0
137.13205	0.9
139.07478	0.5
143.08574	1.7
145.04909	5.2
145.06459	0.8
145.10107	14.1
146.10475	0.4
147.08005	1.4
147.11662	4.2
149.09581	1.2
149.13246	4.5
153.12750	2.6
155.08517	1.3
157.10081	1.4
159.07945	0.4
159.11676	4.1
161.13240	3.5
163.06018	6.3
163.11162	15.9
163.14799	3.1
165.12686	0.7
169.10072	0.5
171.11687	0.7
172.63557	0.4
173.09590	2.2
173.11862	0.6
173.13237	3.3
175.14819	1.8
177.16379	0.8
180.08578	0.4
181.12193	3.0
183.11754	0.6
185.13237	0.8
187.14771	2.2
189.11182	2.6
189.16382	0.4
191.10574	2.1
193.12225	2.1
197.13158	0.5
199.14740	0.7
200.60851	0.4
201.16354	0.8
209.11673	5.8
211.13252	2.0
223.31889	0.3
227.12769	11.4
233.22563	0.7
241.19397	0.6
243.15721	0.5
243.21075	4.3
245.13791	0.5
259.20551	1.7
261.22101	13.1
267.15897	3.9
268.16177	1.1
277.21667	0.8
279.23254	0.8
281.22519	0.5
283.15363	100.0
284.15738	1.9
285.16833	1.0
297.22131	0.7
299.23660	4.4
301.21518	0.6
313.27328	1.7
314.27612	1.3
315.23248	0.8
315.27829	0.4
317.24710	4.3
333.24319	2.2
335.25760	64.9
336.26144	1.1
339.22989	0.5
415.29959	0.5
423.32608	0.8
433.31128	2.3
451.32193	4.1
469.33041	3.4
487.34100	1.5
505.39053	0.7
506.39255	1.2
507.39743	0.7
515.37335	1.6
517.35297	0.7
525.35718	7.1
543.36761	63.1
544.36969	2.2
561.37891	7.1
565.08179	0.4
751.17273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	1.4
67.05497	42.7
69.03416	3.4
69.07064	10.9
71.01306	1.1
71.04974	4.0
71.08591	1.1
73.02905	3.7
76.95407	0.4
77.03900	0.8
79.05483	37.4
81.03410	11.5
81.07048	48.8
82.07355	0.7
83.00892	0.5
83.01331	7.3
83.04975	10.4
83.08610	14.6
84.08863	0.4
85.02896	21.7
85.06496	1.8
91.03401	0.7
91.03945	11.1
91.04893	0.9
91.05469	22.3
93.07031	50.2
95.04955	8.5
95.08596	35.4
96.04427	0.8
96.08890	0.6
97.02290	0.7
97.02876	11.7
97.06519	5.0
97.10166	5.2
99.04455	3.3
99.08061	1.0
103.03905	0.5
103.05414	0.5
105.07018	17.8
107.04273	0.6
107.04942	7.2
107.08582	28.1
108.08866	0.4
109.02792	1.1
109.05881	0.5
109.06506	5.9
109.10144	17.1
111.04434	2.5
111.08056	3.3
111.11675	0.5
113.09602	0.4
115.03912	0.6
115.05409	0.6
117.05445	0.5
117.06217	0.7
117.06997	10.7
119.08568	15.9
121.06483	2.8
121.10129	21.9
122.10342	0.4
123.08061	7.9
123.11688	4.8
125.05939	1.4
125.09613	4.0
127.03903	4.6
129.06989	2.6
130.07719	1.6
131.08546	11.4
133.10104	11.1
135.08057	2.3
135.11681	22.4
137.09608	2.1
137.13196	1.8
137.14191	0.6
139.07507	0.6
139.11134	0.6
141.06943	0.5
143.08495	1.4
145.04907	5.6
145.06419	1.1
145.10104	19.4
147.08009	1.9
147.10628	0.6
147.11668	6.9
149.05962	0.5
149.09561	1.5
149.13239	7.3
151.11113	1.3
153.09125	0.7
153.12740	2.9
154.67546	0.6
155.08536	1.9
157.10059	1.4
159.11676	5.8
161.09584	0.6
161.13242	5.4
163.06006	5.8
163.11159	22.6
163.14830	3.7
164.11621	0.5
165.12685	0.6
169.10071	0.5
171.11691	1.2
173.09604	2.8
173.13243	5.8
175.11125	0.6
175.14783	2.5
177.16322	1.2
179.14172	0.5
181.12186	3.7
183.11708	0.6
185.13211	1.0
187.14787	2.8
189.11189	2.8
189.16385	0.6
191.10689	2.8
193.12202	2.1
197.13246	1.0
199.14813	1.0
201.16277	1.2
209.11687	6.5
211.13286	1.5
215.17937	0.9
227.12750	10.6
228.19902	0.4
233.22562	0.5
241.19423	0.8
243.21100	6.3
245.13831	1.1
253.19211	0.5
259.20557	2.5
261.22110	20.8
267.15891	4.5
268.16205	0.7
269.16339	0.7
273.21979	0.8
277.21613	1.1
279.23187	0.6
281.02936	0.4
283.15369	97.9
284.15677	1.1
285.16965	1.3
291.23141	0.6
297.22012	0.6
299.23624	5.6
301.21640	0.9
313.27280	2.2
314.27719	1.9
315.23132	0.4
315.27951	0.8
317.24695	5.9
333.24161	3.7
335.25760	89.9
336.26178	1.7
405.31540	0.8
415.30209	1.0
423.32559	0.5
433.31177	2.6
449.28650	0.4
451.31982	4.2
469.33255	2.7
473.29300	0.5
487.34705	2.3
505.39230	0.8
506.39188	1.5
507.39810	1.5
515.37415	1.3
517.35046	0.7
525.35632	8.1
543.36761	100.0
544.37042	3.0
561.37750	7.9
846.74408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.9
67.05500	31.6
67.05862	1.6
68.54370	0.7
69.03418	1.2
69.07064	8.1
69.30437	5.4
69.30865	4.6
70.16921	0.7
71.04984	2.0
71.08620	0.9
73.02914	1.4
79.05486	24.4
81.03416	1.9
81.03981	0.8
81.07052	32.1
83.04965	1.3
83.08624	7.6
85.02898	2.6
85.06531	1.0
85.73244	0.7
85.76711	0.7
91.03963	2.1
91.05479	10.2
93.07037	35.1
95.04977	4.8
95.08601	37.5
97.02866	4.7
97.06526	3.1
97.10133	1.6
99.04443	2.3
105.07030	9.5
107.04945	3.8
107.08591	21.6
109.06489	1.8
109.10138	10.2
109.46466	0.9
117.07013	5.7
119.08569	8.3
121.06467	3.7
121.10130	13.9
123.08096	1.2
123.11671	2.7
125.05979	1.3
127.03893	0.9
131.08537	4.9
133.10161	4.7
135.08017	2.0
135.11690	35.8
137.13196	1.0
139.07498	1.4
145.10120	17.5
147.11649	3.1
149.13208	2.8
154.16866	0.9
154.18156	0.8
159.11708	2.0
161.13257	1.7
163.11166	35.9
163.14839	1.2
173.13164	1.7
181.12202	5.6
209.11595	1.0
211.27109	1.0
227.12775	44.4
243.21048	1.8
261.22125	7.5
283.15396	54.3
317.24875	1.4
335.25781	90.6
336.25897	2.2
424.81998	1.0
543.36804	100.0
544.37067	2.8
654.40137	0.9
903.30811	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	893.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.2
67.05492	0.4
68.99780	0.5
69.03419	4.7
70.06580	0.2
70.89411	0.3
71.01337	0.1
71.04704	0.1
71.04996	1.1
72.08157	0.1
72.34480	0.1
73.02910	2.4
76.23257	0.1
77.03895	0.1
77.89886	0.1
77.99110	0.1
79.05470	0.8
81.03409	6.8
81.07055	0.5
83.01318	0.2
83.04980	0.9
84.08139	0.1
85.02895	10.3
85.06500	0.1
87.04459	0.7
91.03922	0.1
91.05472	1.4
93.07052	0.6
95.04951	1.0
95.08599	0.2
97.02881	5.7
99.04442	11.2
101.02353	0.2
103.03931	5.4
103.05416	0.9
105.07021	2.3
107.04938	0.8
107.08549	0.2
109.02867	13.6
109.06512	0.3
110.03677	0.1
110.43016	0.1
111.04427	0.6
115.03955	0.6
115.05447	0.4
117.05508	0.1
117.07017	0.8
119.04918	0.5
119.08560	0.4
121.02836	0.1
121.06509	0.8
121.07310	0.1
121.07575	0.1
123.04417	11.9
123.08028	0.2
125.02325	0.3
125.05936	0.1
127.03902	100.0
128.04260	0.7
128.06197	0.2
129.05507	0.2
129.06978	0.5
131.04921	0.3
131.08585	0.3
132.05661	0.1
133.06490	0.5
135.04359	0.5
135.08051	1.1
137.05946	1.0
137.09581	0.1
139.03886	0.1
141.05461	0.4
145.04944	7.3
145.06412	0.6
146.07227	0.2
147.04388	2.4
147.06392	0.1
147.08003	0.4
149.05965	3.9
149.09587	0.5
151.03906	0.3
151.07524	0.8
153.05447	0.1
157.04919	0.3
157.06393	0.1
159.04437	0.1
159.08006	0.2
160.05186	0.3
161.05975	1.1
161.09612	1.2
162.06764	0.8
163.03876	0.2
163.06068	1.1
163.07513	11.8
164.07990	0.2
165.05449	1.3
165.09096	0.9
167.07036	1.2
169.04968	0.9
171.04366	0.2
171.08040	0.1
173.04515	0.2
173.05980	0.8
174.06766	0.9
175.03876	0.3
175.07527	0.8
176.08322	0.1
177.05635	0.4
177.09088	15.5
178.09409	0.2
179.06947	0.5
181.04982	0.2
181.08582	2.6
183.08040	0.1
185.05930	0.3
187.06006	3.0
187.07515	0.4
189.05482	1.2
189.09070	2.8
191.07014	0.4
193.04984	0.5
193.08553	0.2
195.06531	0.2
195.09978	0.1
197.05882	0.1
199.05988	0.4
199.07588	0.2
201.00352	0.1
201.05463	0.2
201.09079	0.2
203.06966	0.3
205.05078	0.2
205.07059	1.2
205.08684	0.1
207.06438	0.5
207.10080	0.1
209.08040	0.4
211.05989	0.5
211.07709	0.1
213.05444	0.4
215.06995	0.5
215.10451	0.1
217.04878	0.2
223.05937	0.1
225.05490	0.1
225.09293	0.1
227.06989	0.4
227.09044	0.2
229.06874	0.8
231.06506	0.4
235.05939	0.6
239.07027	0.4
239.10472	0.2
245.10136	0.1
247.08075	0.5
253.07004	1.9
255.06505	0.1
257.08041	0.4
269.07990	0.1
271.08069	4.2
272.08359	0.1
279.09949	0.1
281.11713	0.3
284.10492	0.3
285.11151	0.4
289.09073	2.4
297.07645	0.3
297.10944	0.2
299.12750	22.6
300.13113	0.4
307.10190	0.4
311.13013	0.2
313.09348	0.2
315.08789	0.1
315.12277	0.2
317.10339	0.2
317.13806	2.8
323.12756	4.2
331.10159	0.3
339.12100	0.1
341.13803	5.8
347.12656	0.4
349.11191	0.4
353.13849	0.2
355.10138	0.2
359.14850	0.2
365.13828	2.7
373.10941	0.5
375.12277	0.2
379.10156	0.3
379.15067	0.2
383.14893	0.9
389.13788	1.1
391.12302	0.3
397.11356	1.0
407.09756	0.2
407.14905	3.3
415.07114	0.2
415.12326	2.1
419.14664	0.1
425.15872	1.6
431.14932	0.8
433.13528	1.2
443.17160	0.5
449.16031	0.5
451.14542	0.5
461.17609	0.2
467.17029	0.4
473.15884	0.5
485.17935	0.3
491.17050	0.2
509.17789	0.3
515.16779	0.3
533.17731	0.5
541.15314	0.4
545.20520	0.5
551.18976	1.0
569.20148	0.9
575.18713	0.1
577.17554	0.2
587.21136	0.8
593.20197	0.2
605.21960	0.3
611.21082	0.2
659.20685	0.4
677.21960	1.0
695.23334	1.2
713.23975	1.2
731.25952	0.6
749.26453	0.7
839.28003	0.1
893.34943	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	891.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12053	0.4
65.03932	0.8
67.05498	12.1
69.03419	1.9
69.07056	13.6
71.01345	19.2
71.04984	60.1
71.08614	1.0
71.62839	0.6
72.05318	0.6
73.02905	3.5
75.04468	8.9
79.05479	6.2
81.03413	0.7
81.07046	24.3
82.07331	0.4
83.04971	4.7
83.08608	7.6
84.97629	0.5
85.02891	96.7
86.03198	0.8
86.06041	1.3
87.04446	1.6
91.05460	7.9
91.05998	0.7
93.07030	18.1
95.01297	3.8
95.04948	1.5
95.08592	56.7
97.02882	1.4
97.06518	0.9
97.10155	4.4
99.00790	0.8
99.04443	2.2
101.02365	34.5
103.03938	1.0
103.13182	0.4
105.07014	19.8
107.08578	34.2
108.08894	0.5
109.02866	0.5
109.06538	0.9
109.10139	43.6
110.10489	0.7
111.04436	6.3
111.08069	1.3
111.11691	3.9
113.02352	2.7
115.03921	0.5
117.06995	1.5
119.08563	31.8
120.08871	0.7
121.10125	32.2
123.08070	0.6
123.11688	20.7
125.13279	0.6
127.02936	1.0
127.03897	24.0
129.05463	35.5
129.06953	0.9
130.05801	0.4
131.03371	2.7
131.08546	4.0
133.10112	28.5
134.10425	0.5
135.11673	25.8
137.13239	8.0
139.03874	0.6
141.01810	8.6
143.08507	0.9
144.09308	0.6
145.04938	94.3
145.10092	10.7
146.05302	0.6
146.10857	0.6
147.04518	0.5
147.06491	13.0
147.11662	22.5
149.13235	15.3
151.03929	0.8
151.11168	0.5
151.14784	1.8
157.05009	0.5
157.10103	1.7
158.10851	0.7
159.02914	2.3
159.11678	13.0
160.12448	0.6
161.13237	26.9
162.13506	0.7
163.14804	16.6
167.07034	1.3
169.04921	0.6
171.06598	0.6
171.11684	2.0
172.12332	0.5
173.13246	7.4
175.13240	0.9
175.14809	17.7
177.03957	0.5
177.05440	1.2
177.16365	26.5
179.14180	0.7
179.17917	3.4
185.13182	1.6
186.14020	0.7
187.14790	12.2
187.16428	0.9
189.16354	46.8
190.16676	1.4
191.17920	47.2
192.18326	1.2
193.19510	0.6
199.14841	1.5
201.16350	16.2
202.16545	0.5
203.17929	27.6
204.18259	0.7
205.19487	12.4
205.21429	0.7
207.17424	5.8
213.07593	0.7
213.16336	2.1
215.17932	13.5
216.18175	0.7
217.19487	37.7
218.19778	0.9
219.21040	5.2
221.19019	1.2
227.17911	3.7
229.19493	13.5
231.08578	0.9
231.21071	7.6
241.19342	2.2
243.21068	6.0
244.21477	0.5
245.22614	6.5
247.24202	0.5
255.08693	3.1
255.20990	3.8
257.22610	6.7
258.34723	0.5
259.08136	0.8
259.24164	1.3
261.22061	0.5
261.25781	0.7
264.65320	0.4
265.33121	0.5
269.22589	4.8
271.24152	7.6
273.09595	2.1
273.25784	0.6
283.24332	2.1
285.25623	1.7
287.07611	1.0
291.10794	2.9
297.25763	8.0
299.27335	0.7
305.08621	2.0
311.27316	2.0
313.28903	0.6
315.26672	1.2
323.27505	0.6
337.28845	1.4
351.30511	1.0
355.17282	0.6
365.19458	0.9
365.32245	2.3
383.20557	9.1
407.36664	100.0
408.36987	5.1
409.38144	0.5
425.37708	17.4
426.38193	0.8
491.29993	1.2
580.54102	0.5
583.39618	0.7
585.63727	0.5
601.40912	20.0
602.41071	1.6
745.43726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.3
67.05500	37.2
69.03419	1.7
69.06719	0.8
69.07064	11.1
69.07442	0.7
69.68282	0.5
71.04994	2.3
71.08630	0.8
73.02924	2.3
77.29092	0.4
79.05489	21.9
81.03401	1.7
81.07052	42.1
83.04972	2.6
83.08618	6.6
85.02901	6.2
85.06525	1.6
89.90694	0.5
91.03951	4.1
91.05473	13.3
93.07037	34.7
94.82045	0.4
95.04972	4.0
95.08598	20.0
97.02877	4.1
97.06535	4.4
97.10146	1.1
98.46539	0.6
99.04457	0.7
99.08080	1.6
105.04538	0.6
105.07028	7.8
107.08586	20.2
109.06486	0.8
109.10156	5.9
111.08057	2.7
117.07014	5.4
119.08590	5.4
121.10132	15.0
123.08054	0.9
123.11698	2.6
127.03882	2.2
129.06932	0.6
131.08578	7.3
133.10109	5.7
135.07991	0.8
135.11679	7.9
137.09621	0.5
139.11177	1.0
145.04984	1.4
145.10115	2.9
147.11653	3.1
149.09630	0.6
149.13248	13.9
151.11220	0.7
159.11676	7.4
161.13232	1.9
163.06042	1.1
163.14821	0.6
173.13277	1.4
175.14783	0.7
177.12747	2.1
187.14841	1.0
189.48961	0.5
192.36058	0.5
195.13844	3.6
201.16273	0.6
231.31569	0.5
243.21149	1.7
261.22110	7.1
267.15942	1.7
269.17468	41.0
270.17688	0.5
317.24747	1.6
335.25772	39.6
336.25983	0.7
430.88937	0.5
431.50806	0.5
437.34076	1.3
455.35229	0.9
469.20502	0.5
511.37607	0.8
529.38867	100.0
530.39319	2.6
547.40179	2.3
632.25653	0.7
888.49915	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	891.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	0.7
67.05122	0.4
67.05495	13.5
69.03416	1.4
69.07057	14.8
70.90492	1.2
71.00950	1.1
71.01344	19.2
71.04984	59.9
71.08618	0.8
73.02908	3.9
75.04472	8.7
77.03865	0.5
77.06934	0.5
79.05479	6.8
81.03416	0.6
81.07047	28.9
83.01337	0.6
83.04976	4.0
83.08604	8.5
85.02893	100.0
85.06524	0.7
85.10170	0.5
87.04464	1.8
91.03945	0.7
91.05460	8.0
93.07031	20.6
94.07358	0.4
95.01305	2.9
95.04964	1.6
95.08594	64.3
96.08910	0.8
97.02873	1.6
97.06537	0.7
97.10149	4.7
99.00829	0.8
99.04446	2.1
101.02366	35.6
102.02684	0.4
103.03314	0.5
103.03933	1.8
105.07014	23.1
107.08582	38.9
108.08900	1.1
109.02811	0.7
109.10141	50.6
110.10483	1.3
111.04428	4.5
111.08087	1.0
111.11701	3.8
113.02368	3.1
115.05455	0.4
117.06332	0.4
117.06986	2.6
118.08584	0.4
119.08566	34.9
120.08888	0.5
121.10126	38.8
122.10443	0.8
123.08078	1.0
123.11694	23.8
125.13242	0.6
127.03903	25.4
129.05463	31.2
131.03387	3.1
131.08554	4.7
133.10110	30.3
134.10437	0.8
135.11670	27.2
136.06129	0.6
136.33429	0.4
137.09630	0.5
137.13237	8.3
139.03889	0.8
141.01807	9.1
143.08565	1.4
144.09325	0.7
145.04939	85.5
145.10097	9.7
146.05293	1.2
146.10756	0.5
147.06499	10.7
147.11661	24.5
148.12039	0.5
149.13237	16.8
151.11128	0.8
151.14809	1.8
157.10117	1.8
158.10858	0.8
159.02835	2.9
159.11676	13.4
160.12453	0.5
161.13237	27.5
162.13634	0.6
163.06021	0.4
163.14803	17.2
165.16451	0.7
167.07072	1.0
169.04990	0.6
171.11674	1.8
172.12418	0.7
173.13246	10.0
174.13887	0.6
175.14804	19.4
176.15172	0.4
177.05453	1.2
177.16365	26.5
178.16718	0.7
179.17928	3.5
185.07967	0.5
185.13264	1.7
187.14795	11.5
188.15225	0.6
189.16359	49.2
190.16673	0.8
191.17926	47.5
192.18300	1.5
193.19508	1.0
199.14764	2.1
201.16353	15.8
202.16722	0.6
203.17929	30.2
204.18269	0.9
205.19499	12.3
207.17406	5.2
213.16304	2.3
215.17934	13.2
217.19492	32.4
218.19849	0.8
219.21048	4.7
221.19020	1.4
225.16595	0.4
227.17981	3.0
229.19479	13.4
231.21037	7.2
241.19525	2.8
243.21054	5.8
244.21567	0.5
245.22612	6.0
255.08646	1.6
255.21059	3.5
257.22620	6.6
259.24133	1.1
269.22617	5.9
271.24207	8.1
273.09631	1.9
283.24139	2.2
285.25797	1.6
287.07462	0.8
291.10620	2.6
297.25723	6.5
299.27289	0.9
305.08701	1.1
311.27292	1.8
337.28897	1.9
351.30154	1.4
355.17389	0.5
365.19583	0.8
365.31967	2.1
383.20557	8.9
385.46539	0.4
407.36664	91.5
408.37024	5.7
409.37805	0.6
425.37708	13.2
426.38022	0.8
446.76453	0.5
491.29919	0.9
570.19647	0.5
583.39374	0.7
601.40918	20.6
862.53729	0.6
891.44525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34762	0.3
65.76453	0.5
67.05495	1.4
67.50634	0.4
69.03432	1.4
69.07079	0.6
69.93532	2.4
70.06594	0.7
71.04987	0.8
72.08164	0.7
79.05511	0.6
81.03405	1.0
81.07047	2.3
83.04977	0.4
84.04503	0.4
84.08097	0.4
85.02896	1.8
91.05483	1.2
93.07040	1.1
95.04964	0.6
95.08588	2.2
96.08897	0.4
97.02900	1.5
97.10168	0.5
103.03968	0.4
105.07050	1.4
107.08606	1.5
109.02885	1.1
109.06574	0.6
109.10118	2.1
119.04947	1.0
119.08598	1.8
121.10162	1.3
123.08188	0.4
123.11731	0.5
124.11467	0.4
127.03899	2.9
131.04955	0.5
135.11708	0.8
137.06018	0.9
145.04996	0.8
145.10098	0.7
147.04440	1.7
147.11681	1.0
149.13246	0.5
151.03868	0.5
151.07533	0.8
157.10181	0.5
159.08124	0.5
159.11679	0.6
161.09665	0.5
161.13159	0.5
167.07042	4.9
168.07388	0.7
169.07668	0.4
175.04033	0.6
175.14943	0.6
176.04510	0.8
177.05438	0.6
184.05011	1.8
185.04280	0.9
185.05780	1.0
189.05226	18.1
189.16360	0.7
190.06099	0.5
191.18008	1.7
193.12518	0.5
201.05269	2.9
202.05954	2.8
203.06761	2.1
203.18001	0.8
205.19556	0.5
207.06505	0.9
215.06804	9.6
216.07571	20.8
217.04901	0.7
217.08313	4.4
217.09996	0.4
219.06371	1.4
227.05196	2.1
229.08359	5.0
232.07037	6.3
233.07838	6.3
234.08755	0.9
235.14586	0.4
239.11795	0.7
247.09526	0.5
255.06639	0.4
257.10187	0.5
267.11426	0.8
293.29068	0.4
295.06232	0.5
295.10547	0.9
313.07330	0.5
313.11911	1.1
325.07141	0.9
337.07199	0.8
339.08603	0.6
361.12762	0.5
365.12170	1.2
372.10580	0.8
379.13675	5.9
381.13376	0.8
393.13712	0.8
394.12451	0.4
395.13654	1.3
397.16907	0.5
400.14978	1.1
407.13132	5.1
407.17987	0.5
411.14429	1.6
412.14395	0.9
413.15695	6.7
421.14645	16.7
425.15875	1.4
426.16702	1.5
427.17267	14.0
427.22888	0.7
429.15369	0.7
430.14825	1.2
437.14337	1.5
439.17249	4.1
439.35931	1.7
440.36154	1.1
443.16797	6.3
445.17197	0.9
451.12292	1.4
455.16980	0.5
457.18582	0.5
465.13525	4.2
466.19833	0.5
575.21344	1.2
589.22528	3.4
613.92694	0.5
617.22266	1.2
620.57941	0.5
631.23755	4.7
637.26068	17.4
638.26514	0.7
655.26105	0.9
675.22540	0.7
799.31403	3.5
822.42761	0.5
841.32422	34.0
842.32721	1.0
885.31433	100.0
886.31378	3.0
894.88110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22152	0.7
67.05500	17.1
68.18559	0.7
69.03432	4.1
69.07064	7.1
71.04985	2.5
71.08625	16.6
71.62119	1.4
73.02914	3.1
79.05483	11.4
81.02923	1.8
81.03408	35.8
81.07049	20.8
83.04966	6.8
83.08608	14.7
85.02898	20.9
85.06529	1.6
85.10182	9.4
87.04444	0.8
89.06025	1.6
91.03936	6.7
91.05473	14.4
91.06009	1.3
93.07046	8.0
95.04966	13.5
95.08601	14.8
97.02885	5.8
97.06508	1.6
97.10155	4.3
99.08121	1.0
105.07016	10.0
107.04964	3.1
107.08596	4.9
109.06516	2.5
109.10146	6.1
111.04424	1.0
111.08068	6.6
113.06046	1.4
119.08562	11.4
121.10151	4.2
123.08050	1.6
123.11706	3.4
126.14572	0.7
127.03913	2.1
129.06975	4.9
131.08546	5.8
133.06483	1.7
133.10112	5.6
137.09619	0.9
137.13266	0.9
142.07811	1.9
145.04955	1.8
145.10138	0.9
147.08066	1.4
147.11681	9.2
149.09589	4.5
154.88026	0.9
157.10118	8.9
163.06012	2.9
165.12793	2.0
175.11160	7.7
193.12228	26.8
198.22647	0.9
211.13277	37.3
239.23645	1.2
255.28816	0.8
267.15897	15.4
285.16949	57.3
286.17227	1.0
313.27332	56.9
505.38858	14.7
523.39917	100.0
524.40106	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	882.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.3
68.05025	0.5
68.34426	0.1
68.99802	0.4
69.03417	1.4
69.07053	0.2
70.06586	7.9
71.04985	5.1
71.63431	0.2
72.08141	0.3
73.02928	0.6
75.04463	0.4
79.05471	0.9
81.03413	1.1
81.07072	0.2
82.06548	0.1
83.04957	0.8
84.04490	0.7
84.08123	0.4
85.02897	8.1
86.03210	0.1
86.09689	0.1
87.04462	0.2
89.03922	0.1
91.05483	0.7
93.07034	0.1
94.06558	0.4
95.04964	1.3
95.08621	0.2
96.04481	33.8
96.08118	0.2
97.02891	2.0
97.04836	0.3
97.06499	0.2
98.03275	0.1
98.06041	0.4
98.09661	0.3
99.04458	0.7
103.05381	0.2
104.83414	0.1
105.07020	0.4
107.04930	1.2
107.08592	0.1
108.08170	0.2
109.02876	1.0
109.06523	0.2
109.10192	0.1
110.06026	0.2
111.04446	0.7
112.07651	0.3
112.08568	0.2
113.05978	0.1
114.05518	100.0
115.03837	0.1
115.05897	0.6
119.04929	0.6
121.02830	0.9
121.06472	0.2
122.06019	4.4
123.04413	0.7
125.05991	0.2
125.49973	0.1
126.05519	0.1
127.03902	4.6
128.04225	0.7
129.04550	0.2
129.05475	1.2
133.06462	0.3
133.10112	0.3
135.04408	2.5
136.07588	0.3
137.02325	0.2
137.06035	0.6
138.05444	0.8
139.03883	0.2
140.07059	0.2
145.04944	0.5
145.06589	0.1
147.04396	1.8
147.06523	0.3
149.02284	0.1
149.06003	0.2
151.03880	0.2
152.07039	0.1
153.01935	0.3
153.05429	0.2
161.05956	0.3
163.03889	6.2
164.07071	0.3
165.01825	0.2
165.42654	0.1
167.07010	1.6
168.07434	0.2
169.04839	0.2
173.05995	0.1
175.03940	0.3
177.05455	0.4
179.03377	4.2
181.04906	0.5
183.02925	0.2
191.03372	67.6
192.03719	1.3
193.08585	0.2
197.04387	0.3
197.11702	0.1
203.03323	0.2
205.04878	0.2
206.04535	0.2
207.06502	0.5
209.04425	4.0
217.04956	0.2
230.08005	0.3
232.05952	0.2
232.11742	0.2
233.04379	0.4
243.02829	0.1
246.07899	0.1
255.06456	0.2
256.06061	0.5
258.09760	0.4
269.07965	1.1
274.07022	1.3
276.10727	0.2
285.07620	0.2
299.09088	3.4
309.07690	0.2
311.09100	22.8
312.09360	0.3
323.09177	0.2
325.06949	0.2
362.86966	0.1
368.14923	1.2
394.12830	3.0
404.15326	0.2
412.13870	10.7
413.14185	0.4
447.45883	0.1
473.14282	0.4
530.19769	0.4
550.65466	0.1
551.87091	0.1
556.17999	1.4
574.19165	9.6
575.19196	0.3
619.20032	0.4
676.25916	1.6
702.23907	8.5
703.23944	0.4
705.89667	0.1
718.22852	0.2
720.24890	15.5
721.25488	0.7
736.24530	0.2
807.14691	0.1
838.30927	0.2
864.29230	0.3
882.28534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02632	0.8
61.02919	9.3
67.05499	10.1
69.03409	1.4
69.07067	5.8
69.39493	0.6
69.39787	5.6
71.01325	1.0
71.04971	1.9
71.08230	0.8
71.08625	14.0
73.02892	2.7
79.05486	8.7
81.03407	5.5
81.07049	15.1
83.01327	5.0
83.04973	5.0
83.08134	0.8
83.08610	11.3
85.02422	0.9
85.02895	13.2
85.10174	8.4
89.06002	1.2
91.03945	7.0
91.05471	6.0
93.06470	0.7
93.07036	12.0
95.04964	3.7
95.08043	1.0
95.08598	12.9
97.02867	6.0
97.06499	1.8
97.10146	3.2
98.20771	1.3
99.04433	2.0
99.08074	0.6
99.11727	0.7
103.07541	0.6
105.07020	4.6
106.51662	0.6
107.04953	3.5
107.08593	6.9
107.09303	0.9
109.06506	3.7
109.10140	6.7
111.04406	1.8
111.08080	1.4
111.11683	0.9
113.05986	0.7
115.03911	0.9
117.07018	3.5
119.08578	4.3
121.06503	1.4
121.10151	4.5
123.04434	0.8
123.08051	5.7
123.11684	1.8
125.05976	1.0
125.09599	1.1
125.13319	0.6
127.03878	3.2
129.06989	1.2
130.07736	0.7
131.08553	1.5
133.10114	1.0
135.07974	1.0
135.11676	6.8
137.09633	0.6
137.13213	0.9
143.08621	0.5
145.04944	2.9
145.10117	9.6
147.08057	1.1
149.09567	0.8
153.12744	1.0
155.08553	1.3
163.05969	3.2
163.11183	14.0
173.09592	1.6
181.12202	2.1
191.10686	2.1
209.11705	3.6
227.12753	1.9
227.93037	0.5
239.23718	0.8
257.24805	1.1
279.94388	0.6
283.15375	100.0
284.15747	1.0
313.27341	66.0
314.27716	1.5
315.65659	0.5
383.67786	0.6
502.74136	0.6
521.38336	48.1
522.38635	2.4
612.73468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.2
65.03938	0.1
65.65346	0.1
66.04717	0.1
67.05508	0.1
68.99782	0.2
69.03423	1.1
69.07042	0.1
70.06590	0.1
71.04979	0.2
71.35962	0.1
71.63672	0.1
73.02903	0.2
77.03941	0.1
78.04692	0.7
79.05471	0.7
79.05887	0.1
81.03409	1.3
81.07053	0.3
83.01286	0.1
83.04971	0.1
85.02895	2.3
87.00818	0.8
91.05470	0.7
92.02619	0.1
93.07036	0.5
94.04160	0.1
95.04974	0.4
95.08591	0.1
96.05708	0.1
97.02875	1.2
97.06541	0.1
99.04443	0.4
103.03941	0.1
103.05473	0.4
104.06245	0.1
105.01858	0.5
105.03407	0.1
105.07017	2.1
106.04168	0.5
107.04943	1.5
107.08542	0.1
109.02859	1.3
109.06530	0.1
111.04429	0.2
115.05428	0.7
116.57697	0.0
117.01851	0.1
117.07011	0.4
119.04945	0.1
119.08583	0.3
121.06477	0.8
121.10123	0.1
122.03625	0.1
123.04412	2.2
124.05203	1.1
125.05958	0.2
127.03903	1.6
127.05354	0.1
129.01796	0.1
129.06995	0.2
131.04890	0.2
131.05832	0.1
131.08548	0.1
132.05663	0.2
133.06476	2.4
133.10104	0.1
134.03572	0.2
135.04424	0.1
135.08060	0.2
137.02402	0.1
137.05948	0.5
138.85779	0.1
139.07518	0.1
140.04643	0.1
141.06989	0.1
143.04929	0.1
143.05991	0.1
144.05695	0.1
145.04926	0.4
145.06468	0.6
145.10159	0.1
147.02821	0.1
147.04382	0.3
147.08005	0.4
147.11639	0.1
149.05949	0.9
151.03864	0.4
151.07495	0.2
152.04652	0.9
153.01628	0.1
153.05441	0.1
153.07097	0.1
153.09111	0.1
154.06181	0.1
155.06981	0.2
155.08495	0.1
159.02882	0.4
159.07965	0.1
160.05164	0.1
161.05972	2.6
162.06436	0.1
163.07533	0.5
165.09166	0.1
166.06204	0.2
167.07018	100.0
168.04150	0.1
168.07353	1.1
171.08014	0.1
173.05945	0.7
174.06700	0.1
175.07529	0.6
177.05449	0.2
178.06248	0.4
179.06976	0.5
180.07759	0.1
180.40942	0.1
181.08571	2.0
182.09360	0.1
187.07567	0.1
189.03903	0.1
189.05486	0.1
189.09053	0.1
190.06274	0.3
191.06990	0.3
192.07755	0.2
193.08583	14.2
194.08870	0.1
195.10147	1.2
197.06041	0.1
197.07814	0.1
199.07547	0.2
203.07013	0.1
205.08600	1.1
206.09302	0.1
207.06517	0.2
207.10136	0.8
209.08054	0.3
211.09625	19.8
212.10011	0.2
213.03816	0.1
213.09105	0.1
215.06970	0.2
217.08548	0.3
219.10081	0.1
221.08109	0.3
223.09560	0.5
226.06088	0.1
227.06926	0.2
229.08516	0.1
231.04971	0.2
231.10181	0.2
233.08032	0.3
235.07387	0.0
235.09616	1.1
238.06229	0.1
239.07024	0.1
239.09065	0.3
241.08571	0.2
247.09599	0.2
249.11177	0.1
251.09149	0.5
253.10699	0.8
259.09662	0.4
268.07346	0.1
269.07727	0.1
271.06348	0.1
271.09680	0.2
273.11182	0.2
275.09061	0.1
277.10623	0.4
286.08160	0.1
289.10709	0.2
291.12250	0.1
295.11810	0.4
301.10696	1.1
319.11716	1.8
325.06882	0.1
337.12839	0.5
379.11591	0.1
385.16214	0.2
392.49194	0.1
403.17563	0.8
405.11612	0.3
411.14331	0.1
412.14835	0.1
421.18295	0.2
423.12830	0.5
441.13925	0.2
880.39905	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	877.493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.5
61.30667	0.7
67.05501	12.2
69.03417	6.5
69.07059	11.8
69.20994	0.6
69.93796	4.2
70.06577	1.1
71.00949	1.4
71.01346	26.4
71.04984	0.8
73.02914	16.5
75.04474	7.5
79.05103	0.8
79.05495	5.8
81.03414	1.7
81.07051	23.7
83.04982	0.7
83.08603	6.3
85.02895	41.1
86.09714	1.0
91.05475	6.8
91.82290	0.7
93.07036	16.5
95.01314	4.8
95.04965	1.8
95.08600	50.6
96.08074	0.7
97.02880	17.3
97.10168	4.4
98.20734	0.8
99.00826	1.1
99.04436	1.4
101.02371	45.8
103.03925	1.9
105.07024	18.9
107.08584	28.0
109.02859	0.8
109.06526	0.8
109.10147	39.5
111.04440	0.8
111.08078	1.4
111.11694	2.1
111.46530	0.6
111.92639	0.6
113.02377	2.0
115.03914	9.2
117.07004	1.6
119.08575	26.6
121.10127	29.1
123.11697	15.8
125.02355	1.3
127.03915	15.6
131.03378	1.6
131.08574	3.4
133.04939	2.8
133.09116	1.4
133.10118	26.0
135.11682	19.7
137.13245	5.6
141.01816	18.3
143.08559	1.2
145.04948	100.0
145.10107	7.9
147.11681	17.7
149.13245	13.3
151.03917	0.7
151.14821	0.7
159.02873	2.2
159.11674	10.6
161.04492	1.1
161.13242	19.9
163.03836	0.8
163.14810	13.9
171.11679	1.8
173.13254	6.8
175.14801	14.6
177.03865	1.2
177.16382	18.6
179.14325	1.0
179.17926	2.8
185.13208	1.5
187.14813	8.3
189.16370	35.3
191.17940	28.8
199.14862	1.8
201.16367	11.9
203.16017	1.2
203.17947	21.0
205.19476	9.6
207.17448	9.7
213.16396	1.9
215.17960	7.8
217.07043	0.7
217.19502	25.2
219.04890	1.0
219.21082	2.7
221.18977	1.1
223.82364	0.7
227.18013	1.9
229.19472	10.5
231.21053	5.7
241.19528	2.3
243.21077	5.3
245.22655	4.5
255.21147	3.6
257.22632	5.1
259.24146	1.4
269.22595	4.4
271.24213	6.1
273.06033	1.5
277.09174	2.1
283.24237	1.6
285.25848	0.8
291.06931	1.2
297.25754	5.5
300.28180	0.7
309.98129	0.8
315.26971	1.6
324.38852	0.7
337.28848	1.4
365.32117	1.6
383.20657	2.0
397.03036	0.8
407.36697	54.5
408.37036	2.4
425.37750	20.2
535.88373	0.8
601.40698	4.4
877.48761	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	877.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.5
65.03946	0.2
65.59741	0.1
67.05495	0.3
68.99793	0.3
69.03422	5.0
69.07042	0.2
69.36355	1.4
70.06586	0.3
71.01338	0.1
71.04989	1.6
72.08150	0.3
73.02911	2.8
79.05491	0.4
81.03410	8.6
81.07043	0.6
83.01335	0.2
83.04976	1.4
83.17387	0.1
84.08141	0.3
85.02895	11.1
85.06523	0.2
87.04472	0.7
91.03973	0.1
91.05472	0.5
93.07040	0.4
95.01325	0.2
95.04967	0.5
95.08608	0.4
97.02882	7.8
98.20700	0.2
99.04443	12.9
101.02343	0.2
103.03931	5.4
105.07028	0.5
107.04958	0.4
107.08585	0.4
109.02867	15.7
109.06519	0.3
109.10116	0.2
110.02413	0.1
110.03117	0.2
111.04457	0.3
112.95834	0.1
113.02344	0.1
115.03914	0.6
115.05442	0.1
117.05511	0.2
117.06975	0.2
117.90672	0.1
119.04944	0.4
119.08575	0.4
121.02840	0.3
121.06493	0.2
121.10123	0.3
123.00756	0.2
123.04432	0.7
124.01600	0.2
124.07607	0.1
125.02351	0.4
127.03902	91.9
128.04222	0.8
129.06993	0.2
131.04929	0.5
131.08582	0.2
133.06474	0.2
133.10109	0.4
134.03607	1.2
135.04422	0.2
135.07994	0.1
135.11731	0.2
137.02301	0.3
137.05952	0.4
138.05453	0.2
139.03848	0.2
141.05519	0.2
145.04945	8.8
145.10143	0.3
146.05292	0.1
147.04388	1.2
147.11601	0.2
149.02318	0.7
149.05951	0.3
151.03917	0.6
151.07632	0.1
153.01807	5.2
157.04930	0.4
157.06499	0.2
161.02267	0.2
161.05956	0.3
163.03893	0.4
163.06010	1.3
163.07410	0.3
163.11201	0.2
165.05292	0.1
165.09103	0.2
167.07024	1.5
169.04959	1.1
170.02113	0.6
171.02940	0.2
171.04359	0.2
173.04480	0.2
173.06018	0.2
175.03920	0.4
175.14769	0.2
177.05405	0.7
179.07008	0.2
181.04904	0.3
181.08578	0.4
185.05896	0.3
187.05989	3.1
189.05414	0.3
191.07091	0.2
193.04942	0.3
197.06062	0.2
197.11589	0.2
199.03902	0.5
199.06017	0.4
201.05522	0.3
202.06233	0.2
205.04982	0.4
205.07079	1.4
207.06491	0.7
209.08089	0.6
211.05972	0.3
211.09616	0.2
213.05453	1.1
217.04936	0.5
227.09145	0.3
229.04936	2.0
229.07085	0.9
230.05669	1.3
235.05984	1.1
241.04932	6.7
242.05624	0.2
245.08090	0.6
245.10248	0.2
247.08163	0.4
253.07030	3.0
253.09540	0.3
255.06595	0.3
258.05276	0.8
268.03610	0.2
269.04419	10.2
270.04828	0.3
271.08124	6.7
273.07590	0.3
281.04395	0.1
283.05951	0.3
285.04056	0.6
285.07254	0.2
286.04691	13.1
287.04956	0.4
289.09174	2.7
301.07028	100.0
302.07385	1.9
307.10175	0.3
309.07315	0.2
312.02539	0.2
312.06052	0.2
313.06729	0.2
324.06131	0.1
325.06985	0.3
327.04941	0.6
327.08521	0.3
331.10272	0.3
343.08035	0.8
349.10962	0.3
353.10034	0.2
359.09842	0.1
359.46027	0.1
367.07959	0.2
367.12228	0.2
373.11093	0.1
379.10129	0.4
391.08130	0.2
397.11215	1.5
409.08994	1.3
415.12268	2.6
427.10248	0.3
433.13416	0.9
445.11212	0.2
451.14352	0.2
474.11942	0.1
509.14438	0.2
527.16016	0.2
541.15619	0.4
569.14209	0.3
571.13977	0.2
592.19257	0.2
679.16058	0.2
697.17273	0.2
715.18378	0.2
859.27972	0.1
877.38672	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	877.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.2
61.80312	0.1
67.05505	0.4
68.99799	0.4
69.03423	2.9
69.07061	0.2
69.81776	0.3
69.82195	0.6
70.06575	0.6
71.04993	1.0
72.08144	0.6
73.02905	1.2
79.05479	0.4
81.03413	5.8
81.07047	0.5
81.36950	0.1
82.06561	0.2
83.04970	1.0
83.55242	0.2
84.08134	0.4
85.02900	5.5
85.06528	0.3
85.07648	0.2
86.09698	0.2
87.00827	0.1
87.04456	0.4
89.77234	0.2
91.05464	0.7
93.07056	0.4
95.04956	0.6
95.08613	0.5
97.02269	0.3
97.02887	4.4
97.06533	0.2
99.04448	5.5
99.05092	0.3
101.02361	0.2
103.03942	2.4
103.05456	0.5
105.07016	0.9
107.04974	0.3
107.08570	0.7
109.02872	8.6
109.06503	0.3
109.10143	0.4
110.02378	0.2
111.04418	0.5
115.03967	0.3
117.06976	0.2
119.04944	0.4
119.08579	0.5
121.02843	0.8
121.06477	0.4
121.10114	0.2
123.04436	0.9
123.08038	0.2
124.15601	0.1
127.03905	32.7
128.04262	0.4
128.06224	0.2
129.06990	0.3
131.04912	0.4
131.08572	0.2
133.06448	0.3
133.10132	0.6
134.03596	1.4
134.53972	0.2
135.04404	0.3
135.08051	0.3
135.11662	0.2
137.02338	0.6
137.06006	1.1
138.05472	0.2
138.09030	0.1
139.03912	0.2
145.02831	0.2
145.04955	3.8
145.06248	0.3
145.06551	0.3
145.10141	0.4
147.04404	1.6
147.11650	0.3
149.02344	1.7
149.05977	0.3
149.09616	0.2
151.03899	0.6
151.07516	0.3
153.01817	4.9
153.05383	0.3
157.06438	0.3
161.05980	0.3
163.03893	0.4
163.06030	0.3
163.07520	0.4
165.01857	0.2
165.05482	0.2
167.03371	0.2
167.07040	1.9
167.10753	0.2
169.04933	0.6
170.02109	0.6
173.05971	0.2
173.13263	0.3
175.03862	0.7
175.07564	0.3
175.11154	0.2
175.14810	0.2
177.05475	0.9
181.04916	0.2
181.08556	0.2
185.05956	0.4
187.05994	1.6
187.11099	0.1
189.05405	0.3
189.09088	0.2
189.12669	0.2
191.06987	0.4
191.14282	0.4
193.04930	0.3
193.08563	0.2
197.06065	0.2
199.03827	0.2
201.05420	0.3
202.06291	0.2
205.05211	0.2
205.07072	0.6
207.06583	0.7
207.13860	0.2
209.08138	0.3
213.05486	2.0
213.08971	0.2
217.04965	0.3
227.06920	0.2
227.08998	0.2
229.04980	2.2
229.07141	0.4
230.05699	1.3
235.05954	0.3
241.04932	6.4
241.08673	0.4
243.06551	0.2
245.08073	1.6
253.06999	1.0
255.06575	0.3
258.05228	0.7
259.09671	0.3
269.04428	9.9
270.04929	0.3
271.05380	0.8
271.08301	2.3
273.07507	0.4
283.06015	0.6
284.65475	0.2
285.03995	0.5
285.07285	0.2
286.04697	15.3
287.05191	0.5
289.09100	0.8
295.06073	0.2
297.07587	0.2
298.04651	0.4
300.06113	0.5
301.07034	100.0
302.07397	2.2
309.07394	0.2
311.05606	0.2
312.02548	0.2
313.06955	2.4
314.07703	0.2
321.07718	0.2
324.06143	0.3
325.06979	0.9
327.04956	1.2
327.08630	0.4
337.06937	0.5
337.10599	0.4
339.04959	0.2
339.08682	0.8
343.08127	5.5
345.09747	0.3
348.06287	0.3
349.06845	0.2
351.08627	0.3
353.06238	0.3
353.10382	0.3
355.07959	0.2
357.09265	0.3
363.08667	0.8
367.07974	1.2
375.08792	0.2
376.05435	0.2
379.07965	0.2
381.09723	0.4
385.09143	0.3
385.51984	0.2
391.07950	1.7
391.12088	0.2
397.11096	0.6
409.09085	5.3
409.14249	0.3
415.12424	0.9
427.10043	1.2
433.13928	0.3
445.11230	0.9
463.12561	1.0
491.13910	0.2
499.09985	0.5
509.14285	0.5
511.12115	0.2
517.11322	0.3
521.13879	0.2
527.15332	0.4
535.12415	0.5
545.16644	1.3
547.14270	0.6
553.13104	0.9
571.14606	1.8
581.20563	0.2
589.15515	1.1
607.16235	0.5
613.14984	0.3
649.16449	0.3
661.15112	0.7
679.16113	0.8
697.17877	1.0
715.18353	1.0
733.19531	0.5
751.20465	0.2
846.49695	0.2
877.33643	0.5
878.31372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.6
67.05502	2.1
68.05025	0.5
68.99790	0.3
69.03423	8.2
70.03744	0.3
70.06573	1.4
71.01347	1.0
71.04987	10.9
71.61944	0.4
71.62332	0.4
72.08134	1.1
73.02913	4.9
75.04475	0.5
77.23619	0.3
79.05476	1.2
81.03408	6.5
83.01318	0.4
83.04973	11.9
84.08134	100.0
85.02895	27.0
85.03417	0.8
85.06534	4.0
85.08417	0.4
86.06055	2.0
86.09703	0.4
87.04468	3.6
91.05459	1.4
95.04971	1.3
97.02878	7.2
98.09686	3.1
99.04439	3.6
99.10044	0.4
100.11243	5.2
101.02376	0.8
101.06007	44.6
103.03889	0.3
103.05460	0.4
105.07013	1.0
105.33790	0.3
106.04173	0.3
107.04926	2.5
108.04429	0.5
108.53751	0.3
109.02866	3.3
111.04433	3.3
111.05542	0.4
114.09158	0.6
115.05451	1.2
117.06966	1.6
119.04903	0.9
121.06494	1.6
123.04457	1.8
124.05186	0.7
127.03907	4.8
128.08167	1.0
128.10703	49.6
129.05463	2.6
129.06967	0.5
129.11090	0.5
131.04909	0.7
131.08548	1.1
133.06485	1.0
140.04808	0.3
141.06947	0.4
143.07018	0.5
144.05721	0.5
144.10182	1.8
145.04951	1.0
145.06476	3.9
146.09276	1.5
146.11742	32.7
147.04382	5.2
147.06473	0.4
152.04686	0.5
153.01814	13.4
156.05705	0.9
157.06494	0.5
159.08026	2.0
161.06009	1.4
162.68343	0.3
167.07025	14.4
171.02873	5.3
173.05975	6.1
175.07605	0.6
179.03400	0.9
181.04976	0.9
183.06465	0.6
185.08128	0.5
187.07568	2.0
188.12807	2.3
190.06224	3.4
191.07013	0.8
191.11543	0.4
193.08627	0.7
202.06210	0.6
203.07053	0.9
205.08606	6.0
214.14308	0.4
217.08577	6.9
218.13898	1.0
219.10193	1.1
230.13875	3.4
235.09654	0.8
245.10156	0.5
247.09738	0.8
248.14999	0.9
254.13855	2.7
263.10812	0.4
265.10788	0.5
272.14905	11.0
273.07553	7.6
279.10193	0.7
285.07220	0.4
290.15952	67.8
291.10648	0.3
291.16434	0.8
299.08499	0.3
315.08786	0.9
323.13004	0.4
330.11249	0.5
339.12277	0.5
343.11646	0.4
383.14911	0.8
410.21594	1.7
452.21365	3.9
562.22809	11.7
708.32245	11.5
724.27887	2.3
870.36200	91.5
871.36896	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	865.239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.8
65.03943	0.4
67.05508	0.6
68.99801	0.8
69.03423	6.6
69.39823	1.9
70.06586	0.2
71.01330	0.2
71.04985	2.0
72.08147	0.4
73.02911	4.4
73.03293	0.3
76.91302	0.2
79.05493	0.5
81.03409	11.0
81.07059	0.3
82.03773	0.2
83.04971	2.2
84.08135	0.3
85.02895	15.0
86.09702	0.2
87.04475	0.8
91.03963	0.2
91.05460	1.0
93.07047	0.3
95.04953	1.2
95.08590	0.3
97.02881	9.9
97.06511	0.2
98.20702	0.3
99.04442	16.4
103.03931	7.7
103.04636	0.3
105.03434	0.3
105.07035	0.6
107.04939	1.5
107.08588	0.4
109.02867	21.1
109.06493	0.4
109.10126	0.3
110.03159	0.4
111.00757	0.3
111.04445	1.3
111.08051	0.2
115.03939	1.0
117.05501	0.3
119.04955	0.9
119.08542	0.4
121.02874	0.4
121.10146	0.5
123.00841	0.2
123.04413	12.3
125.02320	0.4
126.57037	0.2
127.03901	100.0
128.04243	1.4
129.05490	0.3
131.04924	0.4
133.02786	0.3
133.06441	0.3
133.10126	0.4
135.04398	2.9
137.02353	0.5
137.05942	0.8
139.03879	3.1
140.07004	0.2
145.04941	11.8
145.10059	0.2
147.04395	3.9
147.05501	0.3
147.11708	0.3
149.02354	0.7
149.05939	0.5
151.03885	8.9
151.07466	0.3
153.01808	2.4
153.05489	0.4
155.03357	0.4
157.04953	0.6
161.02263	0.2
161.05934	0.8
163.03888	3.3
163.05968	1.5
163.07297	0.3
163.11183	0.2
165.05461	1.7
165.09175	0.2
167.03418	0.4
167.06995	1.3
169.04997	1.5
169.06369	0.3
171.04373	0.3
171.08057	0.2
173.04420	0.2
173.05974	0.6
174.13641	0.2
175.03883	1.1
175.07494	0.5
175.14810	0.5
177.05519	1.1
177.06839	0.2
179.03375	8.2
179.06863	0.3
181.04938	0.5
183.02852	0.2
185.05965	0.4
187.03900	1.1
187.05989	4.6
187.07550	0.3
189.01842	0.5
189.05452	1.2
191.03355	0.3
193.04922	0.4
193.08490	0.2
197.05968	0.5
199.04121	0.2
199.06001	0.6
201.05457	1.5
203.03397	0.3
203.07007	0.6
205.04932	0.5
205.07042	1.8
207.06544	0.5
209.08072	0.5
211.05945	0.6
213.05469	1.9
215.03482	0.2
215.07002	1.5
217.04907	0.6
219.06534	0.3
221.04395	0.3
225.05440	0.8
227.06958	0.4
227.09088	0.3
229.04890	1.2
229.07047	1.4
231.02693	0.2
231.06500	0.7
233.04343	0.2
235.05861	0.9
239.06915	0.5
241.04886	0.6
243.02844	0.2
243.06541	0.8
245.04349	0.4
247.08063	0.7
253.02763	0.2
253.04819	0.6
253.07022	2.9
255.06508	0.7
257.04523	0.2
261.07526	1.1
267.06442	0.6
269.04428	0.9
270.05261	0.2
271.05902	12.1
271.08203	5.7
272.06134	0.3
280.07278	0.2
283.06006	1.3
285.07422	0.5
287.05423	2.3
288.05762	1.3
289.06934	30.2
290.07303	0.7
291.06506	0.2
295.05948	2.7
297.07437	0.2
301.06985	0.9
305.07983	0.2
307.05936	0.9
307.09778	0.3
309.07468	0.6
313.06940	7.1
314.07172	0.2
321.07547	0.3
323.05258	0.2
325.06937	1.1
331.08008	6.4
333.07526	1.0
337.06921	2.6
347.08859	0.2
349.07050	0.4
349.11121	0.5
351.08655	0.5
355.07965	3.0
361.06985	2.1
367.07623	0.4
373.10425	0.2
375.08594	0.2
379.07974	5.6
380.08374	0.3
385.06952	0.2
391.07806	0.4
397.08865	3.1
403.08136	1.3
415.12436	2.5
421.09076	1.6
433.13434	1.0
439.10007	0.7
445.09033	0.6
451.14316	0.3
457.11032	0.3
463.10086	0.5
469.08698	0.3
481.10974	0.3
487.09775	0.4
497.14166	0.2
499.11984	0.2
505.10971	0.7
523.12402	1.1
541.13666	1.3
547.12048	0.4
559.13751	0.4
565.13678	0.3
571.12231	0.2
577.17419	0.3
589.13367	0.2
613.12280	0.2
622.72290	0.2
631.13684	0.6
649.15582	0.9
667.16534	1.7
685.17181	1.6
703.17737	0.5
721.19678	0.3
745.24390	0.2
864.51208	0.5
865.37750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.5
71.08607	0.3
71.61468	0.4
71.62128	0.5
73.02924	0.4
73.06548	1.0
76.49494	0.3
79.05490	4.3
81.03416	0.5
81.07053	0.6
87.04467	5.4
89.06026	31.7
91.05462	2.7
93.07050	1.0
95.04958	3.0
95.08568	0.5
103.05458	4.3
105.07024	100.0
106.07373	0.7
107.07066	1.6
114.52833	0.4
114.93750	0.4
115.05350	0.4
117.09126	0.6
119.08577	0.7
121.06516	3.7
121.10155	0.4
129.06990	0.7
130.08626	1.9
131.07056	2.0
131.08557	5.9
133.08595	26.0
145.10117	0.4
147.08025	2.6
149.09579	1.0
165.09038	0.8
166.07715	0.4
175.09633	1.6
175.11058	0.5
177.05452	0.5
177.11220	11.7
178.11696	0.4
191.10606	0.4
208.47083	0.4
219.12219	0.4
221.11815	0.4
221.13745	1.8
223.11180	0.9
223.15536	0.5
225.12717	6.5
226.16772	0.5
235.13208	0.4
239.14874	0.9
249.12830	0.5
251.14293	9.0
253.15967	1.8
267.16022	0.5
269.15338	2.2
271.15268	0.5
283.17593	0.7
295.16879	0.5
313.18033	1.7
313.27493	0.7
327.17087	2.0
329.18942	8.7
330.19348	0.4
335.25668	0.9
339.98938	0.4
355.20294	0.5
357.20438	0.5
373.21646	5.1
401.23120	0.5
407.20859	0.7
419.24475	0.9
463.26740	0.4
477.27823	4.5
505.30161	0.5
505.38763	0.7
535.30829	0.7
551.32159	0.6
639.37299	3.3
743.44037	2.4
847.49969	0.7
864.51672	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	865.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12587	0.2
61.02893	0.4
64.57475	0.2
65.03923	0.4
67.01837	0.6
67.05476	1.0
68.99773	0.8
69.03426	4.6
69.82468	0.9
69.82877	0.7
71.01340	0.4
71.04991	1.4
71.05293	0.2
73.02910	3.0
74.26282	0.2
79.05475	0.3
81.03410	9.0
82.84117	0.2
83.01335	0.4
83.04976	1.4
85.02897	13.2
86.03221	0.2
87.04444	0.5
91.05471	0.4
94.64485	0.2
95.01303	0.3
95.04988	1.8
97.02881	8.0
98.20672	0.2
99.04445	12.5
99.81850	0.2
103.03934	6.8
105.07000	0.4
107.04942	1.3
109.02870	18.5
110.03169	0.2
111.00790	0.5
111.04441	1.9
115.03913	0.8
119.04915	0.7
121.02822	0.5
121.06504	0.2
121.10135	0.4
123.04418	42.2
124.04736	0.9
125.02325	0.5
127.03905	100.0
128.04260	1.6
131.04842	0.3
135.04424	2.7
137.05894	0.5
139.03888	2.6
145.04944	12.0
147.04407	2.4
147.72264	0.2
149.02339	0.5
149.05994	0.4
151.03889	5.2
153.01816	2.0
157.04967	0.6
159.04399	0.5
161.02264	0.3
161.05940	0.5
163.03906	2.7
163.05997	1.7
163.07335	0.3
165.05444	1.2
167.03406	2.1
167.07060	0.7
169.04939	1.6
169.06265	0.3
171.02911	0.7
171.04327	0.3
173.04565	0.4
173.06007	1.0
175.03900	1.4
177.05389	0.6
179.03380	9.3
181.05017	0.3
185.05980	0.4
187.03929	2.9
187.06052	4.3
189.01750	0.3
189.05542	0.7
191.03401	0.7
193.01370	0.3
193.04993	0.6
197.06049	1.1
199.04164	0.3
199.06013	0.6
199.07611	0.3
201.05464	3.3
203.03362	1.2
203.07085	0.3
205.05106	0.6
205.07143	1.7
209.08119	0.4
211.06061	0.8
213.05449	1.3
215.03357	0.4
215.06961	1.4
217.05057	0.7
221.04453	0.6
225.05566	0.9
227.07007	0.4
227.09055	0.3
229.04990	2.3
229.07162	1.9
233.04478	0.6
235.05974	1.2
239.07100	0.6
241.04985	0.4
243.06413	1.2
245.04565	0.8
247.08049	1.1
253.04898	0.6
253.07195	2.7
255.06544	0.6
257.04620	0.6
261.07791	0.3
267.06436	1.1
269.04523	1.1
271.06091	23.7
271.08307	5.6
272.06482	1.0
275.05707	0.3
283.06006	1.9
285.07590	0.5
287.05634	0.4
289.06888	19.1
290.07474	0.7
295.05963	6.7
297.04129	0.6
301.07260	0.5
305.08212	0.5
307.06140	1.6
307.09909	0.4
308.06909	0.4
309.04218	0.5
309.07742	0.9
311.05432	0.4
313.06961	11.5
314.07520	0.5
315.04935	0.4
319.06107	0.6
321.07578	0.5
323.09235	0.3
325.07306	0.8
331.08023	9.7
332.08621	0.7
333.07544	1.6
335.05563	0.3
337.07047	3.6
337.11017	0.3
349.07275	0.8
349.11356	0.5
351.08957	0.9
355.07965	4.5
357.07300	0.3
361.06970	3.6
367.08240	0.5
373.11365	0.8
375.08902	0.5
379.08020	7.9
380.08545	0.5
385.07452	0.3
391.08109	0.5
391.12570	0.5
397.09052	6.7
398.09549	0.3
403.08124	2.6
409.09204	0.4
415.12463	3.1
421.09097	2.8
433.12918	1.0
439.10156	1.8
445.09143	1.2
457.11475	0.8
463.10349	0.9
469.09329	0.5
475.12735	0.5
477.22961	0.2
481.11270	0.5
487.10199	1.6
505.11133	1.8
523.12390	1.4
529.11676	0.3
535.16418	0.3
541.13501	1.6
547.12598	0.3
559.15436	0.4
565.13776	0.4
577.17346	0.5
583.14685	0.5
631.15118	0.9
649.15308	1.5
667.16821	2.2
685.17621	1.7
703.18732	0.4
754.26819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.525
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34187	0.3
71.03643	0.8
71.56713	0.3
73.02903	0.3
73.06549	0.8
74.91886	0.3
79.05487	5.1
81.03417	0.4
81.66391	0.3
87.04469	5.4
89.06028	30.8
91.05463	2.7
91.07610	0.4
91.72185	0.3
91.87749	0.3
93.07043	0.5
95.04990	2.6
103.05463	5.2
105.07025	100.0
106.07333	1.0
107.07059	1.8
117.07056	0.6
117.09116	0.7
119.08583	0.8
121.06506	4.3
129.06985	1.1
130.08615	1.8
131.07089	1.9
131.08557	5.4
133.08595	22.5
145.06493	0.4
147.08060	2.5
149.09636	0.7
165.09117	0.7
173.09622	0.4
175.09663	1.2
177.11223	9.2
181.10095	0.5
185.61893	0.3
191.10698	0.6
199.73956	0.3
214.78806	0.4
216.38716	0.3
221.13852	1.8
223.11153	0.6
225.12747	6.4
239.14935	0.6
251.14288	9.2
253.15967	2.2
265.16614	0.4
267.13535	0.4
269.15326	2.0
283.17670	0.7
309.19095	0.5
313.18015	1.3
313.27316	0.5
327.17126	1.8
327.20853	0.5
329.18982	8.0
353.19070	0.4
355.20502	0.6
357.20667	0.5
373.21671	3.4
417.24304	0.4
463.26968	0.4
477.27829	3.0
541.39447	0.4
551.32532	0.6
639.37494	2.5
650.98981	0.4
743.43414	1.6
847.49042	0.7
864.51611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.4
65.03949	0.2
66.04724	0.1
67.05498	0.3
68.99793	0.3
69.03427	2.0
69.07065	0.1
70.06584	0.3
70.40649	0.3
70.40990	0.1
71.04975	0.3
72.08161	0.3
73.02924	0.4
77.03929	0.1
78.04708	1.0
79.05491	1.1
81.03413	2.3
81.07049	0.5
83.04975	0.3
83.08581	0.1
84.04471	0.1
84.08142	0.2
84.70376	0.1
85.02901	4.1
86.06096	0.1
86.09704	0.1
87.00831	1.6
87.04469	0.1
91.03940	0.2
91.05477	1.0
93.03407	0.1
93.07059	0.5
95.04971	0.9
95.08615	0.3
96.05732	0.1
97.02888	2.5
97.06519	0.1
98.03255	0.1
99.04451	0.9
100.74891	0.1
103.03998	0.1
103.05470	0.5
105.01852	1.0
105.03404	0.1
105.04485	0.1
105.07024	2.1
106.04168	0.5
107.04947	1.6
107.08591	0.3
108.04465	0.1
109.02878	2.2
109.06535	0.2
109.10145	0.2
111.04443	0.3
111.08087	0.1
115.03936	0.2
115.05438	0.8
117.01826	0.2
117.03357	0.1
117.07002	0.7
119.04936	0.5
119.08586	0.6
121.02879	0.1
121.06507	0.9
121.10115	0.2
122.03635	0.3
123.04422	2.9
124.05204	1.4
125.06008	0.2
127.03909	4.0
128.04260	0.2
128.06143	0.1
129.01830	0.3
129.06987	0.3
131.04924	0.4
131.08565	0.3
132.05675	0.2
133.06490	2.4
133.10121	0.4
134.03630	0.2
135.04338	0.1
135.08043	0.3
135.11627	0.1
137.04987	0.2
137.05975	2.5
137.09665	0.1
138.09145	0.2
140.04602	0.1
141.06941	0.1
143.04944	0.2
143.06020	0.2
144.05682	0.1
145.02831	0.2
145.04930	0.6
145.06497	1.1
145.10127	0.2
147.03098	0.1
147.04391	1.3
147.08038	0.6
147.11665	0.1
149.05960	0.9
151.03900	0.7
151.07539	0.3
152.04678	1.0
153.07045	0.1
155.06996	0.1
156.05632	0.1
157.06505	0.3
159.02878	0.7
159.08046	0.4
160.05161	0.3
161.05974	2.5
163.03906	0.2
163.07530	0.6
165.05539	0.2
165.06989	0.1
165.09050	0.2
166.06219	0.2
166.08647	0.2
167.07031	100.0
168.07361	1.1
169.05151	0.1
169.06444	0.1
171.08090	0.1
172.05171	0.1
173.05965	1.4
174.06628	0.2
175.03847	0.2
175.07527	1.8
175.14832	0.3
177.05539	0.5
178.06230	0.3
179.07059	0.4
181.06699	0.1
181.08569	1.8
183.07916	0.1
185.06001	0.1
187.07524	0.8
189.03947	0.2
189.05525	0.1
189.09097	0.4
190.06285	0.8
191.06905	0.4
192.07840	0.1
193.08597	12.6
194.08908	0.1
195.10184	0.4
199.07487	0.2
201.05446	0.2
201.09145	0.2
202.06259	0.2
203.07014	0.4
205.06750	0.2
205.08597	2.1
207.06577	0.4
207.10150	0.9
209.08098	0.4
209.15387	0.2
211.09647	14.4
212.10005	0.2
213.03841	0.2
213.09106	0.2
213.11143	0.1
214.08463	0.1
215.07011	0.2
217.08606	1.5
219.10123	0.3
221.08014	0.3
223.09540	0.5
227.06982	0.2
231.04945	0.3
231.10149	0.2
233.08037	0.2
235.07735	0.1
235.09637	1.8
237.07578	0.1
239.09105	0.3
241.08583	0.3
247.09634	0.4
249.11209	0.2
251.06906	0.1
251.09142	0.6
253.10721	0.7
257.08032	0.1
259.09668	0.4
262.14410	0.1
265.10699	0.7
268.07401	0.1
269.07748	0.2
271.05942	0.1
271.09619	0.2
273.11154	0.3
275.09058	0.1
277.10651	0.3
283.09558	0.2
285.07468	0.3
286.08438	0.1
289.10748	0.1
295.06168	0.1
295.11731	0.3
300.09872	0.2
301.10666	1.3
309.07529	0.1
313.06958	0.1
319.08368	0.2
319.11768	1.9
321.11038	0.1
325.07123	0.3
326.07333	0.1
327.08353	0.1
337.06976	0.1
337.12949	0.4
341.13992	0.2
353.13892	0.5
355.15347	0.1
371.10464	0.1
371.14883	1.4
387.14301	0.2
393.12827	0.2
405.11609	0.3
411.14096	0.1
423.12930	0.5
441.13699	0.2
581.23627	0.2
691.42493	0.1
864.36652	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	863.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.3
61.75605	0.1
65.03937	0.1
67.05479	0.2
69.03069	0.2
69.03422	3.1
69.12637	0.1
69.44061	0.6
69.44486	0.9
70.06599	0.2
71.01356	0.3
71.04982	0.6
72.08140	0.6
73.02887	0.7
79.05485	0.3
81.03411	3.6
83.01339	0.4
83.04971	0.8
85.02895	4.8
87.04471	0.4
91.05463	0.7
93.07037	0.6
95.04948	0.6
95.08569	0.3
97.02882	43.4
98.03202	0.4
99.04443	7.0
101.02390	0.2
103.03936	2.5
103.05431	0.4
105.07029	0.7
107.04948	0.3
109.02872	7.3
109.06527	0.3
111.04449	0.7
115.03922	7.3
119.04910	0.3
121.02853	0.5
121.06485	0.9
123.04410	0.4
123.08036	0.3
125.02328	0.3
127.03904	100.0
128.04233	0.7
131.04878	0.4
133.04919	0.2
133.06448	0.5
135.04422	0.3
137.02313	0.2
137.05962	0.2
139.03876	1.7
145.04942	2.7
147.04393	0.7
149.05988	0.9
151.03946	0.4
151.07555	1.0
153.05519	0.2
157.04961	2.5
159.04382	0.3
161.05969	1.1
163.03908	0.4
163.05977	0.4
165.05420	0.3
167.07001	0.3
169.04932	0.7
173.04427	0.5
174.85089	0.1
175.06001	0.6
177.05472	2.0
179.07011	1.2
181.04968	1.5
187.06001	1.3
193.04955	1.6
195.06497	0.3
197.08084	1.7
198.93694	0.2
199.05989	1.5
205.04941	4.4
205.07011	1.0
205.78549	0.2
209.08020	0.2
211.06021	0.3
223.05997	9.4
229.07013	0.4
235.05997	0.4
241.07048	11.8
253.07129	0.9
255.75587	0.1
259.08115	4.7
271.08167	1.4
277.09116	0.2
283.08032	0.3
289.09241	0.8
301.09149	0.5
319.10394	0.3
331.08185	0.2
337.11209	0.2
349.09186	0.5
367.10144	2.1
373.11130	0.4
385.11362	2.3
403.12311	2.9
415.12070	0.2
421.07834	0.2
421.13379	4.6
529.15643	0.7
547.16241	0.6
734.72491	0.2
745.00812	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	861.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.9
61.06735	0.3
65.03928	0.5
67.05495	4.2
69.03430	3.0
69.07071	1.3
69.43344	2.3
69.43760	0.5
71.01365	0.4
71.04988	1.0
73.02909	3.3
79.05487	4.6
81.03419	1.7
81.07052	4.3
83.04960	0.4
83.08615	0.6
85.02895	3.7
87.04470	0.5
91.03951	2.6
91.05467	5.8
93.07029	4.7
95.04962	1.6
95.08601	3.1
97.02879	3.3
97.06516	0.6
97.10139	0.3
97.71035	0.2
99.04473	0.8
101.02384	1.8
103.05443	0.2
105.07022	4.5
105.07666	0.3
107.04936	0.5
107.08590	2.4
109.02879	0.5
109.06519	0.5
109.10152	0.9
111.08052	0.5
115.03881	0.3
115.05459	0.4
117.06989	1.7
117.07719	0.2
119.08585	2.5
121.10171	1.0
125.09635	0.3
127.03947	0.9
129.05583	0.2
129.06987	1.2
131.08557	2.3
133.10130	1.4
135.11739	0.4
143.08553	1.4
145.04958	0.3
145.10117	1.8
147.11688	1.2
153.01866	0.7
157.10146	0.5
159.11699	1.0
161.09578	0.2
161.13286	0.6
171.11720	0.8
173.13246	0.5
175.14833	0.4
185.04228	0.5
185.13329	1.0
187.14873	0.3
203.05357	0.7
212.86223	0.2
243.08401	2.7
247.13196	1.1
283.13943	0.4
303.15570	0.8
303.19025	0.5
315.10468	0.3
315.19263	0.7
326.87598	0.3
333.20355	5.5
333.24173	0.4
389.22961	1.2
463.23148	0.9
465.20938	9.1
489.35611	0.3
533.27258	0.3
551.28247	13.6
689.34680	0.8
699.44598	0.5
768.02356	0.3
775.42340	1.9
861.49567	100.0
862.49835	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	863.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	0.2
65.03940	0.3
67.01859	0.6
68.99767	0.8
69.03420	2.5
69.24144	0.1
70.06574	0.2
71.04984	0.7
71.63654	0.1
72.08147	0.2
73.02912	1.2
79.05486	0.2
80.89230	0.1
81.03410	5.1
81.07049	0.2
83.04971	0.9
85.02892	5.6
86.09702	0.1
87.04469	0.3
91.05446	0.4
93.07050	0.1
95.04982	0.4
97.02878	4.0
97.06503	0.2
99.04440	5.9
103.03931	2.2
105.03381	0.4
105.07011	0.3
107.04942	0.5
109.02866	9.7
111.04429	0.4
115.03906	0.4
115.05450	0.2
117.07056	0.1
118.66790	0.1
119.04934	0.2
121.02857	0.4
121.06458	0.2
123.00771	0.2
123.04411	0.4
125.02422	0.2
127.03897	30.9
128.04265	0.2
129.01843	0.2
133.06459	0.2
135.04390	0.5
135.08026	0.2
137.02376	0.3
137.05978	0.2
138.05533	0.3
145.04942	3.1
147.04369	0.7
149.02332	2.3
149.05994	0.3
151.03889	0.9
153.01810	10.2
157.05031	0.2
157.06433	0.2
161.02299	1.6
161.05948	0.5
163.03905	0.3
163.06032	0.3
163.07516	0.3
165.01816	0.5
167.07024	0.5
169.04962	0.5
171.02870	3.3
173.05934	0.2
175.03888	0.9
175.07480	0.2
177.01788	0.2
177.05504	0.2
179.03404	0.3
183.02879	0.4
185.05977	0.5
187.03926	0.2
187.06004	1.3
189.05437	2.0
191.03386	0.2
193.04861	0.2
195.02872	0.3
197.00835	0.5
199.04025	0.3
199.05981	0.2
203.03453	0.3
203.07074	0.7
205.05075	0.3
205.07069	0.6
211.05937	0.2
213.05415	1.3
215.03502	0.2
215.07019	0.2
217.04930	10.6
219.06566	0.5
229.04871	0.2
229.06979	0.3
231.06493	4.0
235.05844	0.3
241.04916	2.3
241.07091	0.3
243.02797	0.2
245.04451	1.4
253.07043	1.0
255.06429	0.2
257.04462	0.2
259.05978	1.2
261.03848	0.3
269.04425	5.6
270.05106	0.5
271.05823	0.4
271.08127	2.2
281.04333	0.2
283.05869	0.3
285.07458	1.3
286.04825	0.3
286.07883	0.7
287.05453	100.0
288.05759	1.7
289.09311	0.7
299.05490	2.5
307.06360	0.2
311.05518	1.4
313.03394	1.4
321.07471	0.2
323.05524	0.5
325.03485	0.2
325.06979	0.5
329.06497	6.0
330.06598	0.2
337.07132	0.4
338.07712	0.2
339.05087	0.3
339.08780	0.2
349.06973	1.1
353.06439	1.2
353.10135	0.3
357.70844	0.2
365.06464	0.4
367.07974	0.3
371.07370	0.3
371.11505	0.3
377.06516	3.4
378.06842	0.2
378.90933	0.2
383.07870	0.1
389.07043	0.2
389.12332	0.6
395.07541	6.4
397.10818	0.3
407.07617	0.3
413.08832	1.3
415.12271	0.6
419.07687	0.3
431.09619	0.6
449.10770	0.9
455.09372	0.3
485.08600	0.3
495.12726	0.6
497.10672	0.2
503.09756	0.6
513.13678	0.4
521.10535	0.7
531.14917	1.6
533.12994	1.1
539.11737	0.9
557.12738	1.8
575.13843	1.0
593.15253	0.8
599.13745	0.3
629.12494	0.4
635.15558	0.3
647.14063	1.1
665.14929	1.3
683.15778	1.5
701.17194	1.6
719.17865	0.6
737.18799	0.3
863.35291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	5.0
63.02374	1.2
65.03921	4.3
66.09309	1.1
67.05498	80.6
69.03425	8.4
69.07060	26.2
69.62902	9.9
71.04992	9.1
71.08640	1.5
73.02895	1.3
73.06553	1.5
77.03917	2.1
79.05484	83.0
81.03397	10.0
81.07049	84.2
83.04969	6.9
83.08608	20.1
85.02898	6.9
85.06528	9.6
91.05470	100.0
93.07033	83.8
95.04955	18.4
95.08595	59.5
95.09045	1.0
96.50552	1.2
97.02870	5.2
97.06520	15.6
97.10168	8.4
99.04438	1.8
99.08083	11.7
101.06012	1.1
101.32341	1.2
103.05441	5.7
105.04489	2.2
105.07020	98.0
105.24232	1.1
107.04948	6.4
107.07858	2.5
107.08581	47.4
107.31684	1.2
107.32397	1.3
109.02892	1.6
109.06510	20.5
109.10145	21.2
111.08069	12.6
113.06023	5.6
113.09630	3.2
115.05415	9.1
116.06202	3.7
117.07000	56.7
119.08569	67.7
121.06487	5.5
121.10133	24.6
123.08070	7.7
123.11696	4.0
125.09615	8.0
127.03919	5.9
127.07547	1.7
128.06200	10.9
129.05493	1.8
129.06985	39.2
130.07748	4.0
131.04935	1.2
131.08556	61.8
133.06435	3.0
133.10117	42.5
135.08043	8.8
135.11658	12.7
137.09581	4.3
139.07474	1.6
139.11101	1.6
141.06978	15.5
141.18826	1.2
142.07791	8.4
143.08546	38.5
144.09331	3.3
145.06450	5.0
145.10114	53.9
147.08012	5.2
147.11678	25.9
149.09596	13.0
149.13246	6.6
151.03703	1.2
151.11154	3.2
153.06979	3.6
154.07712	3.5
155.07350	2.3
155.08543	24.9
155.10564	1.5
156.09259	2.5
157.10112	32.8
159.08022	2.6
159.11673	46.8
159.90468	1.1
161.09647	6.2
161.13242	12.9
163.11168	10.2
165.06958	3.1
165.12662	2.3
166.07793	2.6
166.77359	1.1
167.08600	7.6
168.09319	3.9
169.10115	26.6
170.10809	2.3
171.07938	1.5
171.10231	1.9
171.11659	21.1
173.09615	3.9
173.11824	1.5
173.13249	18.3
175.11160	6.5
175.14793	6.0
177.12691	3.8
179.08534	5.9
179.14319	1.7
180.09335	2.7
181.10103	13.3
182.10857	2.5
183.11671	27.5
184.07367	1.6
185.09653	2.9
185.11606	2.1
185.13249	39.4
187.11186	5.2
187.14752	7.1
189.11212	2.5
189.12735	4.6
191.14299	3.4
192.09216	1.5
193.10135	7.8
194.10898	1.6
195.11708	14.0
195.13483	2.3
196.12419	2.1
197.09608	1.7
197.13239	16.9
199.14787	5.9
201.07431	2.0
201.12740	4.2
201.16411	5.2
203.08687	1.2
203.14302	14.8
205.10085	3.5
205.15855	3.9
207.11668	6.6
209.13223	12.0
210.14017	2.0
211.14874	5.8
213.16356	3.8
215.09027	1.6
215.14391	1.6
215.18057	1.5
217.15794	3.3
219.11690	5.0
219.17308	6.9
221.13217	5.4
221.15239	2.6
222.13750	1.4
223.14828	7.3
225.16307	3.4
227.12744	4.5
227.17950	3.2
229.14297	3.5
229.19496	5.1
233.13243	3.1
233.15359	2.2
235.14786	3.8
237.16414	8.0
239.17918	15.4
241.19533	2.1
247.14722	2.1
249.16283	3.9
251.18111	2.3
253.15787	1.9
255.17387	5.4
257.18985	26.0
259.17044	1.6
259.20554	2.7
261.16266	2.0
263.18027	2.7
265.19620	2.1
267.17316	1.3
271.17084	2.4
271.20364	1.8
273.18591	10.2
275.20053	36.7
277.21762	2.0
279.19650	3.2
281.18918	1.8
283.20435	1.9
287.20093	1.8
291.19617	3.9
293.18661	1.4
295.20187	1.7
299.20120	2.3
307.20401	2.9
309.21951	2.0
313.21579	2.3
317.21353	1.3
323.23593	1.7
325.21582	1.4
329.21194	1.6
331.22586	8.8
333.24231	1.8
337.21933	1.4
347.22290	5.8
349.23685	42.7
351.25461	3.5
353.24655	2.9
355.26556	1.4
361.25146	2.4
363.22858	1.8
363.27036	2.1
365.24063	2.2
379.26306	1.9
387.26382	1.7
391.25555	1.4
405.27689	1.7
407.28876	1.4
417.26901	1.3
419.29382	1.9
431.27991	1.4
437.30252	1.4
441.31381	1.7
445.30319	2.1
459.32114	5.2
471.31628	1.9
473.33557	3.3
475.35431	1.6
477.33606	2.6
485.32700	2.2
496.22702	1.4
497.32629	4.5
499.33835	4.0
503.33646	3.6
511.33945	4.0
513.36816	6.1
527.37390	5.6
531.37946	3.5
533.36090	2.3
537.35541	3.8
539.36871	2.0
543.36688	2.1
549.38928	4.4
551.37292	12.8
553.38367	5.1
555.36804	4.5
565.38617	5.1
569.38263	13.0
571.39227	1.8
583.39703	4.1
605.41736	14.8
623.33301	2.6
623.43005	45.3
641.44067	12.4
731.44012	1.8
767.46753	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	856.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	39.7
65.03929	2.5
67.05497	61.8
69.01812	1.2
69.03420	5.2
69.07050	8.6
70.26788	6.0
71.04991	2.9
73.02908	16.3
75.04451	1.6
77.31422	1.3
79.05051	2.7
79.05486	35.0
81.03411	3.9
81.07048	77.4
83.04964	2.0
83.08608	6.0
85.02897	56.9
85.06554	2.2
91.03947	53.2
91.05465	20.7
93.07034	52.6
95.04950	3.7
95.08598	61.4
97.02882	26.6
97.06533	2.8
97.10127	4.2
98.20836	1.8
99.04459	2.4
99.08139	1.6
103.03938	1.9
103.05498	2.0
104.73463	1.2
105.07011	15.5
107.08583	34.0
109.02892	2.6
109.06522	2.4
109.10148	36.0
111.08101	2.6
115.03911	1.8
117.07014	6.7
119.08573	14.3
121.10130	33.2
123.04388	1.9
123.08011	1.8
123.11691	21.2
127.03900	22.1
131.08565	18.6
133.10117	16.3
135.11687	29.6
137.13242	8.7
145.04950	25.0
145.10118	17.4
147.11647	13.7
149.13242	22.0
151.11137	1.7
151.14838	2.6
159.11662	16.2
160.97552	1.6
161.13239	11.8
163.06004	47.6
163.11162	2.2
163.14842	15.9
165.12772	4.3
173.13237	17.3
175.14810	4.0
177.12721	2.3
177.16408	7.0
179.14343	3.0
187.14796	10.7
189.16406	1.4
191.14305	1.9
201.16446	3.9
204.08612	1.9
205.15897	2.6
233.22643	2.0
243.21062	38.2
261.22125	100.0
263.23752	1.5
279.23297	3.7
317.24664	1.8
325.11356	3.6
335.25778	35.6
353.26834	83.9
441.26425	1.6
445.72012	1.5
497.31192	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	854.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.6
65.03923	2.4
67.05502	40.8
67.78642	0.9
68.53182	0.8
69.03426	9.4
69.07066	38.7
71.04968	3.9
71.64770	2.2
76.13123	1.0
79.05487	34.7
81.03411	8.4
81.06573	2.3
81.07053	46.7
83.04983	7.3
83.08613	14.4
84.33110	0.9
85.02885	3.2
85.06519	1.9
91.05476	30.6
93.06464	2.1
93.07038	39.1
95.01261	1.0
95.04967	13.9
95.08044	2.0
95.08603	24.5
97.02898	10.4
97.06536	9.8
97.10164	16.6
99.08083	1.6
103.05461	1.5
105.07022	28.3
107.04945	11.8
107.08591	28.4
109.02846	2.6
109.06497	6.3
109.10148	11.7
111.04399	2.0
111.08083	4.8
115.05454	2.2
117.07025	11.5
119.08578	20.3
121.06475	3.5
121.10143	12.8
123.08041	4.4
123.11690	2.4
125.09620	13.9
128.06227	1.7
129.07022	5.2
131.07593	1.1
131.08565	16.4
133.06451	2.9
133.10121	17.3
135.08073	6.5
135.11690	8.2
137.09592	3.0
141.06947	2.0
142.07695	1.2
143.08575	5.1
145.06470	1.1
145.10124	11.1
147.08026	6.0
147.11671	8.5
147.29733	1.0
149.09634	9.4
149.13249	5.1
151.11165	3.5
153.09042	1.7
154.56926	1.0
155.08585	1.7
157.10143	4.0
159.08051	1.6
159.11696	9.8
161.09615	3.1
161.13268	3.9
163.11162	5.9
165.09062	1.1
165.12711	1.7
169.10077	2.0
171.10185	1.4
171.11678	3.8
173.09506	1.0
173.11789	1.5
173.13264	3.6
175.11203	2.8
177.12790	2.3
177.14932	0.9
179.10542	1.1
179.14262	2.1
181.10149	1.7
181.12195	1.2
183.11687	2.0
185.13188	2.7
187.11125	1.7
187.14938	1.2
189.11296	5.3
189.12794	1.6
193.12276	1.6
195.13776	3.7
197.13229	2.1
205.12206	2.4
207.13725	1.4
210.79567	1.0
215.17976	1.1
223.13269	14.7
227.12753	16.9
229.14272	2.0
229.19411	1.3
235.13210	0.9
239.17896	2.4
245.18942	1.5
249.14784	2.7
253.14270	4.1
255.15744	5.6
257.19012	5.9
261.15268	1.2
267.15872	2.8
269.17496	12.3
273.18463	15.2
275.17227	1.9
275.20074	24.3
291.19522	100.0
292.19727	1.6
293.21106	2.8
309.20505	2.1
331.22641	2.3
347.22134	2.9
349.20154	0.6
349.23679	25.2
365.23227	44.0
367.25128	1.4
461.28830	2.2
485.32687	1.0
519.33087	3.2
535.32306	1.8
541.34961	2.9
545.34698	12.2
559.36273	42.3
599.39185	3.5
621.41553	2.4
639.42548	27.2
640.42542	1.8
657.43219	3.8
854.45636	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	853.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53672	0.9
60.54073	0.8
67.05499	7.4
69.03416	7.2
69.07046	2.6
70.06575	3.0
71.04987	2.0
71.21539	1.2
71.21887	2.0
71.65203	0.8
72.08136	1.7
73.02911	0.9
79.05465	2.6
80.62159	0.9
81.03046	0.9
81.03421	10.9
81.07043	5.1
83.04971	2.3
84.08116	1.1
85.02898	9.8
85.06516	1.5
86.09673	1.1
87.00822	0.8
87.04436	1.5
91.05471	4.9
93.07004	5.0
94.06580	5.7
95.04958	4.0
95.08589	3.5
96.08138	1.0
97.02885	7.5
97.06505	1.4
98.06003	0.9
99.04429	3.5
105.07001	3.9
106.06540	1.1
107.04925	2.3
107.08557	2.6
108.08111	7.2
109.02873	7.2
109.06505	0.9
109.10163	1.9
111.04377	1.3
117.06953	1.6
119.04938	3.7
119.08549	2.7
120.04475	1.5
120.08080	3.3
121.02856	1.5
121.06529	1.3
121.10149	1.7
122.06023	17.1
123.04396	3.3
123.11648	1.6
124.07545	1.9
125.05917	1.3
127.03896	17.1
133.06520	1.1
133.10135	2.6
134.05984	4.2
135.11707	1.5
136.07571	8.5
137.05956	6.0
137.09557	0.9
138.05463	1.3
140.07024	3.2
145.02811	1.7
145.10075	1.2
146.05977	3.7
146.09581	1.5
147.04414	8.1
148.04674	1.1
148.07562	7.1
149.05988	1.8
149.09557	1.4
150.09137	1.6
151.03932	1.5
151.07529	1.2
152.06996	2.3
157.06425	1.0
158.06023	0.9
160.07524	1.2
161.06033	1.6
161.09651	1.2
162.05563	1.7
163.03954	1.6
164.07033	2.8
166.08649	3.5
167.07030	10.3
172.03889	1.3
172.07458	1.1
173.06006	1.2
173.13184	1.2
174.05475	3.3
174.09123	1.4
175.03906	2.9
175.14796	1.0
177.05428	4.7
179.07239	0.9
181.04973	2.1
187.07494	1.2
189.09009	1.0
190.04932	1.5
193.08704	1.5
199.08676	1.3
204.06607	1.4
205.08809	1.0
206.08202	1.6
207.06548	9.2
208.09755	1.1
209.10814	1.0
210.09309	1.4
210.11356	1.7
211.08670	1.8
212.12991	1.1
213.10251	1.3
219.06541	1.0
221.10664	1.7
222.11478	2.8
223.08694	6.9
223.12222	5.4
224.13013	2.7
225.10219	22.9
225.13680	4.8
226.10951	4.2
227.08162	2.1
227.11816	5.3
232.09689	1.5
233.08365	1.1
233.10698	1.0
234.11313	1.6
235.08601	5.2
235.12332	2.3
236.09392	3.9
236.12872	2.0
237.10205	14.5
237.13831	4.0
238.10925	11.4
238.14595	1.0
239.11754	20.7
240.12553	6.3
241.09572	1.1
241.13286	3.5
247.12364	1.8
248.09464	4.2
248.13023	1.2
249.10185	14.0
249.13939	1.6
250.10983	16.8
251.08145	4.9
251.11775	60.1
252.12543	11.4
253.09677	5.2
253.13362	19.5
254.10228	1.3
254.14058	3.0
255.11142	1.2
261.10147	1.8
262.10965	1.4
263.07800	1.1
263.08917	1.2
263.11780	30.2
264.08896	3.2
264.12576	7.7
265.09760	10.2
265.13324	58.8
266.10458	6.1
266.14026	6.8
267.06522	1.1
267.11383	8.2
267.14722	8.3
268.11954	2.7
268.15674	1.2
269.08929	1.0
269.12744	2.7
271.05902	2.3
275.11798	2.5
277.09659	6.8
277.13324	5.3
278.10400	8.9
279.11261	30.9
279.14337	1.2
280.12033	8.8
281.12845	10.7
283.05905	1.9
283.10757	9.3
283.14401	2.7
284.11456	1.2
285.07559	3.8
285.12210	3.8
289.13391	1.6
290.10385	1.4
291.11270	11.6
291.14444	1.6
292.12103	3.6
293.09503	1.2
293.12805	28.4
294.13739	5.0
294.16528	0.9
295.05981	1.4
295.10684	4.2
295.14362	13.3
296.11716	4.9
296.14542	1.0
297.07333	2.3
297.12384	12.9
298.13034	6.7
299.13919	8.4
300.14636	1.9
303.11151	1.3
303.15170	1.2
304.12091	1.4
305.09277	1.4
305.12799	2.8
307.10721	2.4
307.14124	1.4
309.12262	16.0
309.15701	1.6
310.13046	5.1
311.13879	37.7
312.14581	3.2
313.15421	8.3
316.14969	1.0
317.12762	1.8
318.09048	1.0
319.10754	5.4
319.14249	1.0
320.11139	1.4
321.12305	15.7
322.12970	1.0
323.14035	4.8
324.14676	2.0
325.07233	1.2
325.11816	1.4
325.15323	3.0
330.16104	1.1
335.13922	2.2
336.14648	1.1
337.07025	1.6
337.11066	11.2
337.15414	2.0
338.12531	2.6
339.08908	1.9
339.13333	10.0
340.13907	1.4
341.14951	3.6
342.15997	1.6
344.13885	2.2
351.09250	1.3
351.13327	6.9
352.14053	2.2
353.10397	2.2
353.14896	15.9
354.15518	1.2
355.16486	3.5
356.13821	1.7
357.14505	3.4
358.15451	1.7
363.12811	1.4
367.12173	1.7
369.14441	11.8
370.15234	2.3
371.11749	0.8
371.15976	20.6
372.17191	5.7
379.12555	1.5
380.08838	1.3
381.14197	3.6
383.15961	2.7
385.17624	1.5
386.18698	2.7
387.15298	1.2
395.11093	2.6
395.15909	2.2
399.15729	1.3
400.16733	2.7
405.14172	1.1
407.16550	2.0
409.17691	1.4
411.15317	3.2
413.17032	7.8
414.18185	7.4
415.18753	1.3
416.19690	3.5
419.16190	2.2
421.17783	1.3
423.15546	2.5
425.16882	2.6
427.18796	1.7
431.18231	1.8
432.19260	5.2
435.15430	3.0
436.16141	1.7
437.16940	8.8
441.16522	1.8
442.17416	5.6
443.18137	1.8
444.19345	1.1
447.15515	2.5
449.17310	1.5
453.16452	6.1
454.16812	3.1
455.18231	12.6
456.18576	1.4
460.18820	3.2
463.15033	3.5
464.16034	1.4
465.16556	7.2
467.18210	2.0
471.17276	4.8
473.19104	5.7
474.20322	10.3
479.17999	3.6
480.20001	1.1
481.16104	8.7
482.16531	4.8
483.17502	13.7
490.19904	1.8
492.21368	7.1
494.22675	3.1
495.17300	3.4
497.19250	9.1
498.19778	1.5
499.16885	1.9
501.18457	5.5
502.19754	2.1
504.20917	1.3
513.18604	18.8
514.19281	4.1
515.20239	35.1
516.20929	1.2
534.22345	13.7
540.20941	2.7
542.22632	2.9
558.22546	4.8
559.22778	4.4
560.23853	1.7
562.22021	1.3
568.20605	7.1
570.22101	1.7
576.22998	4.1
586.21826	19.3
587.21753	2.3
588.23352	5.9
589.24103	9.0
591.25476	22.2
600.23395	39.8
601.24384	8.0
602.24652	2.8
604.22809	15.7
606.24487	5.3
615.28009	3.0
618.24438	51.2
619.25110	18.5
620.26147	9.3
622.23157	1.8
624.25366	2.7
636.25464	100.0
637.26019	7.9
638.26880	3.9
654.26331	5.4
655.26910	2.6
656.27466	1.9
675.29504	3.1
680.28015	25.6
681.28271	3.1
691.18488	1.6
691.28571	1.9
698.29541	1.5
709.28668	11.2
712.30731	41.0
713.30408	4.1
723.30170	21.9
724.30145	1.7
727.29340	4.5
728.28418	1.1
741.31177	36.4
742.31091	2.8
745.30304	3.3
759.32318	6.3
777.33075	9.8
853.39758	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	853.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99686	1.1
65.03931	1.2
67.05508	6.8
69.03424	7.5
69.07070	13.6
69.62493	9.7
70.06580	4.7
71.04993	1.8
72.08138	5.1
73.02913	2.7
79.05491	4.0
81.03416	10.7
81.07054	6.4
83.04975	2.2
84.04470	1.3
84.08128	1.7
84.95937	1.0
85.02910	11.7
85.06542	1.3
86.06042	1.4
86.09698	2.5
87.04453	1.7
91.05484	5.7
93.07024	3.4
94.06561	5.3
95.04963	4.7
95.08594	4.6
97.02885	12.2
97.06532	2.6
98.06020	1.1
99.04449	3.2
103.03889	1.2
103.05456	2.3
105.07034	6.0
106.02943	2.6
106.06518	1.1
107.04948	4.7
107.08569	2.9
108.05231	1.2
108.08132	11.6
109.02883	9.6
109.06522	3.0
109.10159	2.8
111.04475	1.6
111.08040	1.2
112.07645	1.7
117.06983	1.3
119.04910	4.0
119.08572	3.0
120.04457	1.5
120.08094	3.8
121.02828	2.4
121.06480	2.4
121.10182	1.6
122.06027	17.6
123.04442	1.7
123.08048	1.3
123.11632	1.3
124.03965	4.7
124.07554	1.8
125.05963	1.2
125.09653	1.2
126.05548	1.5
127.03902	18.5
128.45038	1.2
131.04903	3.0
131.08569	2.2
132.08069	1.3
133.02829	1.6
133.06497	2.9
133.10117	2.8
134.06009	3.4
135.04471	1.7
136.07600	10.1
137.05994	7.2
137.09688	2.2
138.05418	1.7
138.09125	1.6
139.03908	1.5
140.07062	22.8
145.02800	2.1
145.05048	2.0
145.06473	1.7
145.10097	1.5
146.06015	4.2
146.09586	1.4
147.04411	18.5
147.11700	1.5
148.04852	1.2
148.07579	8.2
149.05960	1.7
150.09108	2.7
151.03899	5.7
151.07541	4.0
152.04193	1.3
152.07053	2.9
154.08658	1.6
160.07510	2.1
161.05978	2.8
163.03864	2.1
163.07558	2.9
164.07059	3.9
165.05510	1.6
166.08652	4.5
167.07047	23.8
168.07372	2.1
172.07643	1.2
173.09567	1.3
173.13202	1.6
174.05536	5.2
174.09140	1.5
175.03854	2.3
175.07492	1.4
175.14955	2.7
177.05496	3.8
181.04965	2.9
181.08624	1.4
183.06468	1.3
190.04919	1.4
191.06998	5.0
191.14273	1.4
192.07384	1.4
192.10161	1.4
193.08582	2.6
204.06526	4.2
206.08197	2.7
207.06503	6.4
208.09827	2.0
209.10777	1.4
210.11436	1.5
211.12379	1.9
214.08704	1.2
215.10602	1.5
216.10269	1.4
222.11502	2.9
223.08614	7.4
223.12276	3.0
224.09480	2.3
224.13014	2.1
225.10272	19.4
225.13849	6.9
226.10915	3.8
227.11833	5.5
232.09773	1.2
235.08606	6.0
235.12282	2.7
236.09444	5.3
236.13091	2.5
237.10258	17.0
237.13747	6.8
238.10966	15.0
239.11803	24.9
240.12534	8.2
240.14661	1.4
241.09651	1.7
241.13380	6.1
243.11218	4.4
247.12308	2.1
248.09425	4.0
248.13066	1.6
249.10152	13.3
249.13884	1.9
250.10960	19.9
251.08101	4.2
251.11798	58.9
252.08679	2.0
252.12582	11.8
253.09714	5.3
253.13374	24.2
254.14133	3.1
255.11232	2.0
262.10883	1.6
263.09103	1.5
263.11792	26.9
264.09076	3.7
264.12521	8.9
265.09760	12.1
265.13351	69.7
266.10590	8.9
266.13794	8.2
267.11313	9.8
267.14838	6.6
268.08304	1.5
268.12039	3.3
269.12943	2.6
273.12244	1.3
275.11835	4.3
276.12543	1.8
277.09979	6.4
277.13245	5.2
278.10468	9.6
278.13843	1.3
279.11304	35.5
279.14459	1.9
280.11975	9.0
281.12814	13.0
282.13635	1.6
283.10828	9.5
283.13803	2.0
284.11475	3.2
285.07523	1.9
285.12390	11.1
290.10132	1.3
291.11301	11.2
292.11978	4.2
293.12845	40.9
294.13605	6.2
295.10770	4.9
295.14407	13.2
296.11536	5.2
297.07449	2.9
297.12381	13.7
298.13071	8.3
299.13925	8.5
300.14645	4.6
305.09320	1.7
305.12732	2.7
307.10721	3.3
307.14221	2.4
309.07568	1.3
309.08905	1.5
309.12344	13.5
310.13177	5.6
311.10199	2.6
311.13876	47.3
312.14578	4.4
313.06989	1.4
313.15643	8.4
317.12762	1.5
319.10800	6.9
319.14182	1.5
320.11301	2.5
321.12399	20.0
321.15982	2.3
322.12967	2.6
323.10480	1.5
323.13791	6.6
325.07217	1.3
325.11783	2.1
325.15347	2.5
326.16388	1.9
327.13571	1.5
331.14063	1.5
333.11996	1.4
335.14038	2.0
337.11719	5.5
337.15411	1.7
338.12433	2.9
339.09171	2.2
339.13351	14.3
340.14191	2.3
341.14981	3.8
342.15665	1.6
344.13965	2.7
345.14603	1.7
351.13361	6.5
352.14188	2.4
353.10480	2.2
353.14954	27.2
354.15439	2.3
355.16440	5.7
357.14529	2.7
358.15543	2.4
363.13196	2.0
367.12201	1.9
367.16669	2.8
369.14459	12.4
370.14944	2.1
371.16049	28.1
372.16788	4.4
373.17532	2.3
381.14053	3.9
383.16034	2.2
385.12988	3.5
386.18637	3.8
387.14395	3.4
388.14963	1.7
389.14319	1.2
391.11954	1.8
393.13623	2.1
395.15955	4.4
400.16226	3.5
402.18182	1.8
405.14093	2.1
411.15137	5.0
413.16922	10.8
414.18185	6.7
415.18509	3.5
416.19907	2.7
419.16675	2.6
420.19058	1.9
421.17963	3.4
423.15454	4.2
424.15717	2.0
425.16565	2.1
427.18951	2.5
429.15753	1.4
430.17401	2.1
431.18500	1.4
432.19330	5.8
434.20535	3.6
435.15521	3.8
437.16977	11.8
440.16061	2.7
441.16449	5.0
442.17499	6.5
443.17944	1.7
447.15381	3.6
453.16428	6.7
455.18137	17.7
456.18826	1.5
457.19394	3.3
460.18634	4.8
462.20477	5.4
463.14941	3.8
465.16415	15.6
471.17679	2.9
473.19403	7.2
474.20142	11.7
476.21674	2.0
478.20441	1.5
479.18332	4.0
480.21255	4.3
481.15808	7.1
482.16898	3.5
483.17593	19.5
484.18268	1.7
485.18039	1.7
492.21368	13.6
494.22867	17.6
495.17688	4.8
496.18314	1.8
497.19156	28.6
498.19250	3.6
499.17200	2.5
501.18741	4.8
502.19037	1.8
510.22055	1.9
513.18707	21.4
514.19202	4.7
515.20288	51.7
516.20630	4.2
522.21704	1.6
533.21643	2.0
534.22253	11.2
540.21368	5.1
541.21588	1.6
542.22809	3.2
558.22375	4.0
559.22949	8.5
560.23315	2.4
564.22760	2.2
568.20563	5.2
576.23041	4.4
578.24402	2.4
583.25269	5.2
586.21729	13.4
587.22021	1.9
588.23462	11.4
589.24200	7.2
591.16370	2.6
591.25452	44.1
594.24194	4.3
600.23376	41.8
601.25183	7.6
602.24957	2.2
604.22839	12.4
605.23474	2.8
606.24359	15.4
615.28241	10.9
618.24414	55.4
619.25165	13.8
620.25854	10.8
622.23584	3.4
624.25299	7.3
633.29089	2.3
636.25494	100.0
637.26105	14.4
638.26544	7.5
643.27130	3.4
654.26465	5.4
655.27924	7.1
656.27942	4.9
657.27936	1.8
675.30286	6.4
680.28094	9.2
681.28766	4.1
691.26819	3.2
698.28162	2.0
709.28540	16.9
712.30707	30.2
713.30634	1.7
723.30231	23.7
724.30719	2.2
727.29645	10.5
731.32196	2.3
741.31244	35.8
742.31152	3.6
745.30634	9.6
759.32275	15.9
760.33319	1.5
777.33423	16.3
805.28088	3.2
821.34546	1.6
853.34180	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	853.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99686	1.1
65.03931	1.2
67.05508	6.8
69.03424	7.5
69.07070	13.6
69.62493	9.7
70.06580	4.7
71.04993	1.8
72.08138	5.1
73.02913	2.7
79.05491	4.0
81.03416	10.7
81.07054	6.4
83.04975	2.2
84.04470	1.3
84.08128	1.7
84.95937	1.0
85.02910	11.7
85.06542	1.3
86.06042	1.4
86.09698	2.5
87.04453	1.7
91.05484	5.7
93.07024	3.4
94.06561	5.3
95.04963	4.7
95.08594	4.6
97.02885	12.2
97.06532	2.6
98.06020	1.1
99.04449	3.2
103.03889	1.2
103.05456	2.3
105.07034	6.0
106.02943	2.6
106.06518	1.1
107.04948	4.7
107.08569	2.9
108.05231	1.2
108.08132	11.6
109.02883	9.6
109.06522	3.0
109.10159	2.8
111.04475	1.6
111.08040	1.2
112.07645	1.7
117.06983	1.3
119.04910	4.0
119.08572	3.0
120.04457	1.5
120.08094	3.8
121.02828	2.4
121.06480	2.4
121.10182	1.6
122.06027	17.6
123.04442	1.7
123.08048	1.3
123.11632	1.3
124.03965	4.7
124.07554	1.8
125.05963	1.2
125.09653	1.2
126.05548	1.5
127.03902	18.5
128.45038	1.2
131.04903	3.0
131.08569	2.2
132.08069	1.3
133.02829	1.6
133.06497	2.9
133.10117	2.8
134.06009	3.4
135.04471	1.7
136.07600	10.1
137.05994	7.2
137.09688	2.2
138.05418	1.7
138.09125	1.6
139.03908	1.5
140.07062	22.8
145.02800	2.1
145.05048	2.0
145.06473	1.7
145.10097	1.5
146.06015	4.2
146.09586	1.4
147.04411	18.5
147.11700	1.5
148.04852	1.2
148.07579	8.2
149.05960	1.7
150.09108	2.7
151.03899	5.7
151.07541	4.0
152.04193	1.3
152.07053	2.9
154.08658	1.6
160.07510	2.1
161.05978	2.8
163.03864	2.1
163.07558	2.9
164.07059	3.9
165.05510	1.6
166.08652	4.5
167.07047	23.8
168.07372	2.1
172.07643	1.2
173.09567	1.3
173.13202	1.6
174.05536	5.2
174.09140	1.5
175.03854	2.3
175.07492	1.4
175.14955	2.7
177.05496	3.8
181.04965	2.9
181.08624	1.4
183.06468	1.3
190.04919	1.4
191.06998	5.0
191.14273	1.4
192.07384	1.4
192.10161	1.4
193.08582	2.6
204.06526	4.2
206.08197	2.7
207.06503	6.4
208.09827	2.0
209.10777	1.4
210.11436	1.5
211.12379	1.9
214.08704	1.2
215.10602	1.5
216.10269	1.4
222.11502	2.9
223.08614	7.4
223.12276	3.0
224.09480	2.3
224.13014	2.1
225.10272	19.4
225.13849	6.9
226.10915	3.8
227.11833	5.5
232.09773	1.2
235.08606	6.0
235.12282	2.7
236.09444	5.3
236.13091	2.5
237.10258	17.0
237.13747	6.8
238.10966	15.0
239.11803	24.9
240.12534	8.2
240.14661	1.4
241.09651	1.7
241.13380	6.1
243.11218	4.4
247.12308	2.1
248.09425	4.0
248.13066	1.6
249.10152	13.3
249.13884	1.9
250.10960	19.9
251.08101	4.2
251.11798	58.9
252.08679	2.0
252.12582	11.8
253.09714	5.3
253.13374	24.2
254.14133	3.1
255.11232	2.0
262.10883	1.6
263.09103	1.5
263.11792	26.9
264.09076	3.7
264.12521	8.9
265.09760	12.1
265.13351	69.7
266.10590	8.9
266.13794	8.2
267.11313	9.8
267.14838	6.6
268.08304	1.5
268.12039	3.3
269.12943	2.6
273.12244	1.3
275.11835	4.3
276.12543	1.8
277.09979	6.4
277.13245	5.2
278.10468	9.6
278.13843	1.3
279.11304	35.5
279.14459	1.9
280.11975	9.0
281.12814	13.0
282.13635	1.6
283.10828	9.5
283.13803	2.0
284.11475	3.2
285.07523	1.9
285.12390	11.1
290.10132	1.3
291.11301	11.2
292.11978	4.2
293.12845	40.9
294.13605	6.2
295.10770	4.9
295.14407	13.2
296.11536	5.2
297.07449	2.9
297.12381	13.7
298.13071	8.3
299.13925	8.5
300.14645	4.6
305.09320	1.7
305.12732	2.7
307.10721	3.3
307.14221	2.4
309.07568	1.3
309.08905	1.5
309.12344	13.5
310.13177	5.6
311.10199	2.6
311.13876	47.3
312.14578	4.4
313.06989	1.4
313.15643	8.4
317.12762	1.5
319.10800	6.9
319.14182	1.5
320.11301	2.5
321.12399	20.0
321.15982	2.3
322.12967	2.6
323.10480	1.5
323.13791	6.6
325.07217	1.3
325.11783	2.1
325.15347	2.5
326.16388	1.9
327.13571	1.5
331.14063	1.5
333.11996	1.4
335.14038	2.0
337.11719	5.5
337.15411	1.7
338.12433	2.9
339.09171	2.2
339.13351	14.3
340.14191	2.3
341.14981	3.8
342.15665	1.6
344.13965	2.7
345.14603	1.7
351.13361	6.5
352.14188	2.4
353.10480	2.2
353.14954	27.2
354.15439	2.3
355.16440	5.7
357.14529	2.7
358.15543	2.4
363.13196	2.0
367.12201	1.9
367.16669	2.8
369.14459	12.4
370.14944	2.1
371.16049	28.1
372.16788	4.4
373.17532	2.3
381.14053	3.9
383.16034	2.2
385.12988	3.5
386.18637	3.8
387.14395	3.4
388.14963	1.7
389.14319	1.2
391.11954	1.8
393.13623	2.1
395.15955	4.4
400.16226	3.5
402.18182	1.8
405.14093	2.1
411.15137	5.0
413.16922	10.8
414.18185	6.7
415.18509	3.5
416.19907	2.7
419.16675	2.6
420.19058	1.9
421.17963	3.4
423.15454	4.2
424.15717	2.0
425.16565	2.1
427.18951	2.5
429.15753	1.4
430.17401	2.1
431.18500	1.4
432.19330	5.8
434.20535	3.6
435.15521	3.8
437.16977	11.8
440.16061	2.7
441.16449	5.0
442.17499	6.5
443.17944	1.7
447.15381	3.6
453.16428	6.7
455.18137	17.7
456.18826	1.5
457.19394	3.3
460.18634	4.8
462.20477	5.4
463.14941	3.8
465.16415	15.6
471.17679	2.9
473.19403	7.2
474.20142	11.7
476.21674	2.0
478.20441	1.5
479.18332	4.0
480.21255	4.3
481.15808	7.1
482.16898	3.5
483.17593	19.5
484.18268	1.7
485.18039	1.7
492.21368	13.6
494.22867	17.6
495.17688	4.8
496.18314	1.8
497.19156	28.6
498.19250	3.6
499.17200	2.5
501.18741	4.8
502.19037	1.8
510.22055	1.9
513.18707	21.4
514.19202	4.7
515.20288	51.7
516.20630	4.2
522.21704	1.6
533.21643	2.0
534.22253	11.2
540.21368	5.1
541.21588	1.6
542.22809	3.2
558.22375	4.0
559.22949	8.5
560.23315	2.4
564.22760	2.2
568.20563	5.2
576.23041	4.4
578.24402	2.4
583.25269	5.2
586.21729	13.4
587.22021	1.9
588.23462	11.4
589.24200	7.2
591.16370	2.6
591.25452	44.1
594.24194	4.3
600.23376	41.8
601.25183	7.6
602.24957	2.2
604.22839	12.4
605.23474	2.8
606.24359	15.4
615.28241	10.9
618.24414	55.4
619.25165	13.8
620.25854	10.8
622.23584	3.4
624.25299	7.3
633.29089	2.3
636.25494	100.0
637.26105	14.4
638.26544	7.5
643.27130	3.4
654.26465	5.4
655.27924	7.1
656.27942	4.9
657.27936	1.8
675.30286	6.4
680.28094	9.2
681.28766	4.1
691.26819	3.2
698.28162	2.0
709.28540	16.9
712.30707	30.2
713.30634	1.7
723.30231	23.7
724.30719	2.2
727.29645	10.5
731.32196	2.3
741.31244	35.8
742.31152	3.6
745.30634	9.6
759.32275	15.9
760.33319	1.5
777.33423	16.3
805.28088	3.2
821.34546	1.6
853.34180	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	852.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05160	1.4
67.05500	18.1
69.03425	9.1
69.07060	26.3
69.34639	2.4
69.35061	7.0
70.06583	0.8
71.04990	1.6
79.05050	1.6
79.05484	19.2
81.03408	4.8
81.07047	15.5
82.52103	0.7
83.04962	3.8
83.08611	8.6
85.02923	0.9
91.05473	14.1
93.07037	15.2
95.04960	6.0
95.08603	8.4
97.02882	9.4
97.06537	3.9
97.10159	10.8
98.21527	1.6
100.82763	0.8
103.05486	0.8
105.07034	10.6
105.55334	0.8
105.85327	0.7
107.04943	5.8
107.08590	9.7
109.06494	2.3
109.10155	5.5
111.04420	1.2
111.08069	1.4
115.05418	1.1
117.07014	5.7
119.08570	11.3
121.06524	2.0
121.10133	4.2
123.08046	3.8
125.09620	10.6
129.07001	3.7
130.07767	0.8
131.08543	5.5
133.06473	2.3
133.10107	4.0
134.07217	1.0
135.08040	3.7
135.11647	1.3
137.09601	1.4
143.08556	2.9
143.31747	1.0
145.06490	0.9
145.10120	5.4
147.08066	5.6
147.11681	3.0
149.09665	1.9
149.13225	1.8
153.09129	0.9
154.92575	0.8
155.08553	1.0
157.10130	2.1
159.11691	2.8
161.09596	2.6
161.13249	1.2
163.11278	0.9
165.09035	1.1
169.10258	0.8
171.11662	1.7
173.09637	0.9
175.11201	3.2
177.12727	1.7
189.11174	4.1
193.12331	1.2
199.59102	0.8
205.12184	1.8
211.13226	1.0
223.11125	1.1
223.13283	19.5
227.12724	5.5
245.18813	1.0
249.14862	3.0
255.17416	1.2
267.16107	0.9
273.18469	16.0
291.19516	100.0
292.19705	1.5
292.92081	0.9
302.77072	0.9
309.20468	1.1
347.22079	3.0
354.36804	0.9
365.23206	50.5
366.23456	1.2
535.32507	1.3
554.92706	0.8
557.34375	2.4
575.35449	1.5
637.40753	3.0
655.41992	51.9
656.42126	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	851.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.0
65.12601	1.2
67.05499	7.7
69.03425	9.7
69.07052	9.1
70.06570	4.5
71.04980	3.6
71.62791	2.0
72.08144	3.8
72.67909	1.3
79.05491	3.6
81.03410	11.3
81.07046	6.1
83.04960	2.1
84.08138	2.0
85.02905	8.8
86.09701	2.1
89.03913	2.6
93.07024	6.4
94.06555	9.9
95.04942	6.9
95.07346	1.9
95.08592	6.1
96.08105	3.5
97.02891	10.2
97.06554	2.3
99.04438	4.4
102.05547	1.5
103.05433	2.5
104.07196	1.3
105.07021	6.1
106.38390	1.6
107.04930	2.8
107.08593	3.3
108.08115	10.6
109.02875	9.1
109.06473	2.1
109.10154	4.1
110.06069	1.6
110.09668	6.0
111.04395	2.4
112.07582	1.3
115.03929	1.6
117.03386	2.6
118.06543	1.9
119.04913	3.5
119.08563	4.5
120.08120	7.9
121.06464	1.4
121.10126	3.9
122.06018	26.3
122.09639	2.3
123.04385	3.1
123.08031	1.9
124.07588	3.0
127.03907	17.5
128.07033	1.4
130.06483	1.9
131.08543	1.3
133.06529	2.3
133.10086	2.3
134.06007	4.3
135.04372	2.5
135.08022	1.5
135.11653	1.8
136.07570	6.7
137.05940	4.6
138.05499	6.1
138.09163	10.3
140.07060	24.7
144.04468	2.3
144.08061	1.6
145.02859	8.6
145.04938	2.0
145.10060	2.2
146.03174	1.7
146.06009	13.9
146.08112	2.9
147.04390	13.6
148.04825	1.9
148.07571	6.4
149.05936	2.8
150.09148	2.6
151.03954	2.3
152.07108	2.4
153.05463	1.6
157.10104	1.7
160.03902	4.4
161.05986	2.1
161.09662	1.7
162.05487	3.9
166.08635	8.8
167.07051	17.7
172.03920	15.9
172.07516	2.5
174.05498	21.2
175.07539	2.4
176.07068	7.7
177.05440	16.4
178.05771	4.6
178.08488	1.4
181.04962	1.5
186.09137	2.6
190.04895	6.6
190.08720	1.5
191.07095	1.6
192.06512	3.1
199.08598	2.1
199.12346	6.2
200.10748	1.8
204.06532	22.5
205.08614	1.4
206.08092	8.4
207.06491	3.0
209.10689	2.5
210.09251	2.5
211.08664	5.3
211.12270	3.6
212.09409	4.5
213.10216	2.2
216.10234	2.1
223.08739	2.5
223.12274	1.7
224.12898	1.6
225.10234	16.8
226.08688	1.6
226.10954	5.0
227.11769	56.1
235.08646	2.3
236.09378	1.7
237.10243	10.3
238.11064	3.8
239.08099	2.4
239.11761	16.2
240.12622	4.0
241.08519	3.2
241.13455	6.4
244.09694	1.5
249.10211	5.6
250.11008	3.6
251.08038	2.1
251.09062	1.6
251.11763	16.2
252.08844	1.6
252.12546	3.9
253.09625	7.4
253.13298	7.6
254.10512	3.9
255.11223	2.8
261.12427	1.9
263.08124	4.6
263.11829	7.1
264.08862	2.3
265.09839	11.2
265.13055	10.1
266.10367	3.3
267.11264	12.7
269.12820	20.5
271.10739	10.5
271.13657	1.9
277.09717	5.9
278.10413	4.1
279.11230	11.9
280.11795	2.7
281.12805	10.2
283.10773	5.2
283.14371	1.9
284.11542	2.7
285.12338	12.1
286.13126	3.3
287.13892	7.2
289.13123	2.7
291.11182	3.8
293.12851	6.8
295.06009	2.1
295.10959	2.7
295.14493	2.1
297.12424	10.1
298.04730	2.6
298.13199	2.1
299.13934	8.1
301.06897	3.0
301.12363	3.2
305.09000	2.5
305.12506	1.4
309.12344	7.3
311.13785	5.1
312.14725	2.1
313.07104	8.0
313.11731	11.4
314.12711	3.7
314.16394	2.0
315.13608	4.5
316.14432	6.2
321.12320	2.1
324.14590	1.5
325.07028	3.8
325.11337	2.5
326.12991	2.7
326.16608	2.9
327.13626	5.2
328.14474	5.0
329.11646	2.2
329.15045	14.6
330.12344	3.2
330.15961	9.6
331.12878	4.0
331.16708	8.4
332.13593	1.6
332.17499	3.6
335.14111	2.3
337.11661	2.4
338.12808	1.7
339.08585	3.0
339.13693	3.2
340.14404	2.9
341.15283	9.4
342.12247	9.8
342.15997	6.0
343.13150	8.2
343.16849	2.7
344.13852	4.0
344.17575	11.1
345.14551	11.7
346.15344	2.4
346.19131	2.7
351.13345	1.8
352.14069	2.2
353.14960	4.5
354.15952	3.8
355.13281	3.0
356.13867	11.6
356.17700	2.8
357.14694	8.9
358.15463	21.0
359.16299	3.4
360.17181	1.9
363.12149	2.9
365.10422	2.4
367.12836	2.4
368.13763	3.2
369.14630	8.3
370.11618	3.0
370.15524	11.2
371.16287	8.7
372.17047	13.1
373.18042	2.1
376.16467	1.7
379.12445	1.9
381.13736	4.5
382.11334	7.4
382.15598	3.9
383.12479	3.9
384.13239	21.2
384.17361	2.8
385.13666	6.3
386.14658	9.7
386.19049	2.5
388.16525	2.4
389.17621	2.4
390.18134	3.9
393.13354	4.7
394.15491	2.7
395.16074	20.3
396.17206	2.6
397.13855	3.2
398.14908	38.0
399.15714	37.1
400.16513	45.3
401.16962	4.3
402.18323	2.4
404.15472	1.9
406.15182	2.2
407.15710	1.6
411.14554	14.0
412.16321	7.0
413.17050	28.4
414.18311	8.2
416.15558	2.8
417.16876	1.9
418.17432	7.4
422.14981	2.0
423.15387	2.2
425.16739	1.8
427.14505	1.6
429.16461	3.6
430.17374	5.7
431.18130	26.5
431.23639	2.9
432.19019	7.6
435.15390	2.5
437.17065	1.7
440.15970	6.6
441.16693	3.6
442.17569	6.2
443.17850	3.7
448.18646	2.0
453.16367	6.2
458.17197	6.0
460.18427	5.8
469.16016	2.3
471.17664	5.1
474.20026	3.0
485.19681	1.6
490.19366	1.9
492.20715	1.9
500.18005	2.4
503.20505	1.5
504.21466	1.5
506.22852	1.6
507.23306	14.1
513.18213	2.1
515.20123	3.1
516.20990	3.3
522.22382	2.7
527.18860	3.7
530.18896	1.6
534.21942	4.5
538.19635	1.6
539.22046	1.7
540.21307	3.5
543.19482	1.5
544.20703	3.5
558.22144	2.3
560.20319	3.6
561.21094	3.4
562.21484	4.8
566.19342	4.5
567.19830	3.8
568.19849	2.3
574.21948	2.7
581.23236	2.2
584.19885	6.2
585.20837	5.5
586.21588	3.2
588.22974	4.2
594.24438	5.2
599.24438	3.2
600.23022	4.9
602.21155	16.8
603.22095	8.6
604.22614	4.6
606.24255	9.0
613.26257	2.3
618.24463	6.3
624.25433	10.4
631.26483	1.8
634.24445	3.3
635.24445	1.8
636.25232	9.4
641.25433	5.1
661.25488	1.7
663.27570	2.1
673.28094	3.0
678.26489	29.3
679.27087	22.1
680.28052	2.7
681.28839	4.7
689.25659	3.8
698.29095	2.0
699.30115	3.0
707.27075	30.9
710.29095	3.3
711.29572	2.5
721.28406	6.4
725.28571	25.9
739.29260	8.0
743.29169	100.0
744.29089	5.3
753.31323	7.0
757.30878	6.7
771.32025	2.3
775.31860	18.9
783.31641	2.1
801.33020	5.4
819.34326	65.1
820.34320	3.1
851.40381	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	849.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.5
67.01866	2.3
67.05514	0.6
68.99778	1.4
69.03423	6.8
69.07066	0.3
69.33752	2.7
70.06573	0.7
71.01365	0.2
71.04987	2.0
72.08148	0.5
73.02911	3.2
79.05495	0.5
81.03411	9.2
81.07034	0.7
83.01352	0.4
83.04977	1.7
84.08125	0.4
85.02896	17.1
85.06484	0.2
87.04452	0.7
91.05470	1.3
93.07024	0.7
94.83708	0.2
95.04958	1.3
95.08595	0.3
97.02883	9.3
97.06548	0.4
98.20781	0.5
99.04445	14.0
101.02376	0.4
103.03930	6.8
103.05421	0.5
105.03384	0.4
105.07022	0.6
107.04950	2.0
107.08563	0.3
109.02869	19.5
109.10143	0.6
110.06007	0.2
111.00764	0.4
111.04438	0.8
112.07592	0.3
115.03909	0.9
119.04940	2.5
119.08622	0.4
120.08077	0.3
121.02849	1.0
121.06489	1.6
121.10143	0.5
123.04437	1.9
125.02335	1.2
127.03905	100.0
128.04245	0.9
129.01831	0.3
129.06967	0.2
129.10242	0.2
131.04898	0.5
131.08632	0.3
133.06467	0.6
133.10104	0.3
135.04416	1.2
135.11656	0.4
137.02321	0.5
137.06000	0.7
142.21129	0.2
143.84377	0.2
145.02943	0.5
145.04948	11.1
147.04396	11.0
148.04752	0.2
149.02339	0.8
149.05951	0.4
151.03889	1.4
151.07564	0.3
153.01813	27.0
157.04977	0.5
159.04359	0.4
161.05977	0.7
163.03877	0.8
163.06021	1.1
163.07338	0.3
165.01848	1.6
165.05446	0.2
167.03435	0.6
167.07025	2.0
169.04976	1.6
171.02875	29.2
173.05992	0.3
175.03833	0.6
177.01822	2.5
177.05473	0.8
179.03360	1.6
181.04997	0.5
181.08562	0.3
183.02867	2.1
187.03963	0.9
187.05998	4.2
187.07564	0.3
189.01819	0.8
189.05429	0.4
191.03371	2.6
193.01283	0.3
193.04945	0.7
193.08572	0.2
195.02878	17.8
197.00839	0.7
199.05913	0.4
199.07564	0.3
201.05365	0.4
203.03380	0.7
205.04976	0.7
205.07051	2.2
207.02951	1.2
207.06454	0.7
209.04376	0.6
209.08058	0.7
211.05971	1.4
213.03857	1.2
213.05681	0.3
215.03384	2.0
217.01358	0.5
217.04942	0.6
217.07057	0.3
219.02863	5.3
225.03848	0.4
227.09134	0.3
229.05005	0.4
229.07050	1.5
231.02823	1.1
231.06592	0.5
233.04506	1.1
235.05902	1.2
237.03822	1.6
241.04884	0.5
243.02856	2.2
245.04340	0.5
247.08173	0.8
249.03897	0.8
253.04716	0.4
253.07043	2.7
255.06490	0.7
257.04492	0.6
261.03925	7.8
267.02768	0.3
270.05157	0.3
271.05893	0.7
271.08179	6.9
272.06387	0.4
273.07538	29.2
274.07852	0.6
275.05380	0.3
279.04819	1.1
285.03922	1.5
285.07544	2.2
289.09143	2.9
291.04993	0.2
295.05725	0.3
297.04254	0.3
297.07581	4.5
299.05466	0.5
303.04938	1.7
307.10007	0.4
309.04205	0.4
309.07498	1.4
311.05511	0.5
313.09235	0.3
315.08582	11.7
321.06244	0.7
323.05209	0.3
325.07269	0.4
327.04916	0.8
327.08536	0.4
331.10013	0.4
335.08975	0.3
339.08606	4.6
341.06366	0.3
351.04803	0.5
351.08618	0.8
353.09943	0.6
357.09561	1.2
363.08682	3.4
365.10309	0.3
369.05750	0.6
373.11099	0.5
378.06570	0.2
379.10223	0.4
381.09705	7.4
387.07376	0.7
393.09698	0.5
397.11380	1.2
399.10632	1.6
405.09644	2.6
415.12363	2.4
417.11453	0.8
423.10587	1.6
433.13370	0.7
441.11581	0.8
447.10461	1.0
459.12863	0.5
465.11569	0.3
471.10614	0.6
483.12527	0.4
489.11398	0.9
501.13824	0.3
507.12619	0.9
513.10059	0.3
525.13593	1.0
531.11255	0.9
541.15491	0.4
543.14856	0.6
549.12689	1.4
567.13300	0.8
585.14972	0.4
615.15656	0.3
633.16602	0.5
651.16748	0.8
669.18146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	3.4
61.02924	12.0
65.03931	2.5
67.05498	97.3
69.03420	2.9
69.07056	8.2
69.49067	2.4
69.49487	4.2
71.04987	4.3
73.02923	3.6
77.03900	0.7
78.11969	0.7
79.05483	18.9
81.03416	2.1
81.07049	41.4
83.04994	1.2
83.08615	9.7
85.02900	14.6
85.06543	3.1
91.03951	9.8
91.04893	0.7
91.05474	15.3
93.07036	29.5
95.04948	2.3
95.08596	29.1
97.02884	7.7
97.06512	1.2
97.10176	2.2
98.20694	1.2
99.04425	1.0
99.08062	1.3
105.07014	8.6
107.08578	18.6
109.10144	81.2
110.13047	0.7
111.08099	3.5
117.07024	2.9
119.08571	11.4
119.84582	0.8
121.10131	14.5
123.08047	1.0
123.11682	4.0
125.09602	1.4
127.03899	3.0
131.08546	5.7
133.10110	5.1
135.11670	8.7
137.09564	4.2
137.13232	1.0
145.04984	4.1
145.10103	6.1
147.07959	1.1
147.11694	5.1
149.13231	5.2
155.10632	3.9
159.11690	4.3
159.12865	0.7
161.13271	4.1
163.05968	3.8
163.14803	3.9
173.11754	22.3
173.13243	3.0
175.14810	1.5
177.16354	1.5
187.14799	2.1
189.11191	1.4
227.12738	5.6
229.14330	100.0
230.14764	1.3
243.21057	5.7
255.46510	0.8
259.20578	1.1
261.22119	22.8
263.23724	1.0
315.19366	1.0
317.24881	3.8
335.25763	85.8
336.26056	1.3
375.21341	1.1
379.29993	0.9
397.30920	2.0
415.32016	1.5
435.30872	1.1
471.34491	2.8
489.35721	86.4
490.36121	2.5
507.36795	8.5
633.38721	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.9
61.02926	11.4
61.50368	0.8
65.03954	2.2
67.05502	83.1
69.03434	3.3
69.07067	7.2
71.04989	3.4
71.63324	1.1
72.78996	1.0
73.02902	4.7
78.31328	1.0
79.05489	15.0
81.03411	1.3
81.07050	32.7
82.07397	1.1
83.04992	1.1
83.08615	10.0
85.02901	12.3
85.06535	2.5
91.03964	8.9
91.05478	12.4
92.32133	0.9
93.07034	24.1
95.04956	2.7
95.08606	24.3
97.02898	6.9
97.06509	1.3
97.10164	2.0
104.05788	0.9
105.07037	8.4
107.08601	10.9
109.10150	77.4
111.08076	2.4
117.07011	3.1
119.08575	8.3
121.06497	0.9
121.10135	10.2
121.84294	0.9
123.11701	4.0
125.09567	1.4
127.03914	3.3
131.08534	6.4
133.10136	5.3
135.11673	7.2
137.09622	3.1
137.13281	1.1
145.04951	4.6
145.10133	3.9
147.04379	1.2
147.11693	3.2
149.13255	3.7
155.10667	2.8
159.11736	3.6
161.13268	3.7
163.06032	5.1
163.14803	2.9
173.11752	23.2
173.13258	3.4
175.14774	1.1
177.16309	1.0
187.14804	2.1
205.74287	0.9
227.12811	7.4
229.14340	100.0
230.14722	2.5
233.22672	1.3
243.21037	4.5
261.22134	16.9
271.15579	1.0
317.24643	2.7
335.25784	64.2
336.26111	2.5
379.29990	1.6
397.30951	1.9
415.32144	1.4
419.51706	1.0
459.15665	1.2
471.34537	2.2
489.35745	51.8
490.35913	2.6
507.36697	9.7
681.75146	1.3
729.64771	1.0
742.44250	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.2
65.03941	0.2
67.01869	0.2
67.05499	0.1
68.99767	0.3
69.03420	2.4
69.07085	0.1
70.06573	0.1
71.01341	0.1
71.04981	0.7
71.63467	0.1
73.02908	1.0
79.05477	0.1
81.03408	3.7
81.07061	0.1
83.01320	0.1
83.04972	0.8
84.08133	0.1
85.02895	4.8
87.04442	0.3
91.05457	0.6
93.07011	0.1
95.04953	0.2
96.65933	0.1
97.02882	3.5
97.06512	0.1
98.09680	0.1
99.04443	5.4
100.04752	0.1
101.02374	0.1
103.03932	2.1
103.05419	0.1
105.03368	0.1
105.07014	0.2
107.04935	0.4
107.08537	0.1
109.02866	8.5
110.03153	0.1
110.33531	0.1
111.00795	0.1
111.04425	0.2
112.07661	0.1
115.03927	0.3
115.05406	0.1
117.06988	0.1
118.04151	0.1
119.04948	0.5
119.08578	0.1
121.02847	0.8
121.06481	0.1
121.10119	0.1
123.04414	0.2
124.11224	0.2
125.02351	0.1
125.05988	0.1
127.03900	29.7
128.04251	0.2
128.06197	0.1
131.04918	0.2
131.08554	0.1
133.02844	0.2
133.06465	0.2
133.10112	0.1
135.04422	0.2
137.02322	0.1
137.05997	0.1
139.03845	0.1
141.06949	0.3
145.02858	1.0
145.04938	3.3
145.06390	0.2
147.04398	0.4
147.08041	0.2
149.02332	3.3
149.05890	0.1
151.03923	0.3
151.07469	0.1
153.01810	3.8
157.04927	0.2
159.04391	0.6
159.08051	0.2
161.05948	0.3
163.03853	0.2
163.06047	0.3
163.07336	0.1
165.01830	0.3
165.05461	0.1
167.03365	0.1
167.07004	0.4
169.04948	0.4
169.06462	0.6
171.02859	0.1
173.04517	0.1
173.05949	0.2
175.03851	0.1
175.07538	0.1
175.14743	0.1
177.05492	0.2
181.04982	0.1
183.02901	0.1
183.04352	0.1
185.05864	0.1
187.03954	0.2
187.05995	1.4
187.07562	0.4
189.05386	0.1
191.03426	0.1
191.06989	0.1
193.05017	0.1
193.08533	0.1
197.05968	0.9
199.05988	0.2
200.04573	0.1
201.05443	0.2
203.07002	0.2
205.05078	0.1
205.07059	0.6
207.06511	0.2
209.08058	0.2
211.05983	0.2
213.05444	0.1
215.07002	6.2
216.07396	0.2
217.04999	0.1
217.07059	0.1
225.05484	0.6
227.06998	0.2
227.09163	0.2
229.04916	0.3
229.07077	0.4
235.05865	0.4
239.07031	0.2
242.05748	0.1
243.06505	2.6
245.10193	0.1
247.05838	0.1
247.08093	0.2
253.04892	1.1
253.07104	1.0
267.06497	0.4
269.04242	0.3
270.05142	0.1
271.05957	100.0
272.06302	2.4
272.09277	0.1
273.03842	0.1
281.07999	0.2
283.05988	2.6
284.06592	0.3
285.07571	0.2
289.09186	0.8
295.05957	1.2
297.03943	1.3
297.07425	0.2
301.07016	0.2
305.07925	0.4
307.06018	0.7
307.09555	0.1
308.06717	0.1
309.03903	0.2
309.07556	0.6
311.05441	0.2
313.06989	5.2
314.07172	0.1
315.04950	0.2
321.07385	0.2
323.05429	0.3
323.09134	0.3
325.06927	0.3
331.10052	0.1
333.07550	1.1
335.05450	0.1
337.06964	1.2
339.09207	0.1
347.09067	0.1
349.07010	0.4
349.10901	0.1
351.08521	0.3
355.08023	0.3
361.06985	1.9
363.08609	0.1
365.10153	0.1
367.07983	0.1
373.07132	0.1
373.11160	0.1
375.08582	0.1
379.08020	4.8
380.08270	0.1
391.08020	0.2
397.08792	1.0
403.08072	0.3
409.08865	0.1
415.11102	0.7
421.08960	0.3
433.11215	0.7
439.10492	0.1
445.08823	0.1
448.14893	0.1
457.11276	0.1
461.12360	0.1
463.09918	0.1
469.08701	0.3
479.13266	0.4
481.11334	0.3
487.10254	0.3
497.14731	0.3
499.12076	0.2
505.11142	0.5
515.15491	0.9
517.13300	0.6
523.12292	0.8
541.13342	1.4
547.12286	0.1
559.14282	0.9
565.13458	0.1
577.15521	0.4
583.14185	0.1
587.15338	0.1
613.12793	0.1
615.26190	0.1
619.17145	0.1
631.14417	0.6
649.15387	0.7
667.16504	0.7
685.17596	0.8
703.19214	0.3
719.49640	0.2
721.18854	0.2
847.36670	0.2
847.54645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.6
65.03918	2.0
67.01862	3.8
67.02187	0.6
67.05496	16.9
68.99775	3.4
69.03079	0.9
69.03423	14.3
69.07064	4.7
71.01344	0.8
71.04984	36.5
73.02893	1.4
75.04461	1.7
79.05049	0.9
79.05482	13.9
81.02972	0.8
81.03413	11.2
81.07049	16.9
83.04972	6.7
83.08604	2.1
85.02894	55.7
85.06539	0.8
87.04443	1.8
91.05463	13.1
93.03383	1.2
93.06459	0.9
93.07033	16.0
95.04959	6.7
95.08597	13.9
97.02878	5.8
97.06504	1.8
97.10146	0.9
99.04447	3.6
99.08055	0.8
101.06018	0.4
102.66977	0.5
103.03912	1.4
103.05423	1.0
105.03405	0.7
105.06363	0.9
105.07019	11.0
107.01270	0.9
107.04944	6.8
107.08587	9.0
109.02863	6.4
109.06486	2.1
109.10138	5.2
111.00793	1.2
111.04423	5.5
111.08066	0.5
115.03911	0.5
115.05412	0.5
117.07003	5.3
119.04934	7.8
119.08562	7.4
121.02850	3.3
121.06506	3.6
121.10126	7.4
123.04424	5.7
123.08051	1.2
123.11702	2.6
125.02345	3.0
125.05980	1.1
125.09589	0.7
127.03918	5.3
128.06197	0.7
129.01813	1.1
129.05472	9.1
129.06923	2.5
130.07799	0.4
131.04909	0.9
131.08546	7.5
133.02805	0.7
133.06439	1.5
133.10098	6.7
135.00771	0.8
135.04396	6.9
135.08070	0.8
135.11658	5.8
137.02391	0.7
137.05975	1.1
137.09618	1.1
137.13226	0.7
139.03947	0.7
141.01851	0.9
141.06952	1.3
143.08542	2.9
145.04802	0.5
145.06421	1.6
145.10095	5.6
147.04393	33.9
147.06352	1.2
147.08023	1.3
147.11674	4.4
149.02336	1.7
149.05984	1.0
149.09615	1.0
149.13248	3.3
151.03902	3.9
151.07518	0.8
151.11133	0.7
153.01808	42.7
153.05421	1.0
155.08514	1.5
157.06519	0.7
157.10139	2.7
158.56808	0.6
159.04388	1.3
159.08009	0.9
159.11676	4.2
161.02220	0.5
161.05974	1.4
161.09607	1.1
161.12090	0.5
161.13222	2.5
163.03922	4.2
163.11125	1.0
163.14693	0.7
165.01813	12.3
165.05434	0.6
165.12769	0.5
167.03366	1.4
167.08588	0.7
169.10078	1.0
171.02870	41.9
171.07976	0.8
171.11687	1.6
173.09531	1.0
173.13213	3.0
175.03923	1.4
175.11185	0.8
175.14769	1.1
177.01810	12.1
177.05432	1.5
179.03349	4.4
181.04857	0.7
181.10112	0.7
182.10506	0.4
183.02875	18.0
183.11620	1.5
185.13248	1.6
187.03864	2.9
187.11128	1.1
187.14752	1.2
189.01804	2.9
189.05429	1.4
191.03363	18.0
193.01300	1.6
193.04932	1.9
195.02869	100.0
197.00777	0.8
197.13220	1.0
199.11259	0.8
199.14769	0.8
201.01772	1.0
201.05486	1.4
201.16313	0.6
203.03374	6.8
205.01344	1.0
205.04871	2.4
207.02869	5.9
207.11813	0.6
207.13721	0.6
209.04459	3.9
211.11188	0.6
211.14748	0.7
213.03880	3.8
215.03365	5.9
217.01282	1.9
217.04959	3.4
219.02863	33.8
221.04431	3.3
223.02393	1.6
225.03928	2.0
225.16428	0.6
227.03471	0.7
227.14249	0.6
229.04976	1.8
231.02831	2.9
231.06451	1.3
233.04408	4.9
235.06050	1.2
237.03885	7.2
237.16345	0.6
241.04956	0.9
241.19440	0.9
243.02879	6.7
243.06589	1.0
243.21117	1.1
245.04422	15.4
247.06165	0.6
249.03906	2.8
251.05582	0.7
255.06300	0.8
257.04422	2.0
259.05981	1.2
259.20612	2.8
261.03925	32.2
261.22211	4.3
263.05475	13.3
269.04465	1.5
269.07730	0.5
271.16510	0.5
271.20712	0.5
273.07538	58.2
273.22064	0.7
275.05402	1.1
277.21619	2.9
279.04898	3.1
281.06549	3.1
283.05878	0.8
285.03937	3.0
285.07541	10.4
287.05475	3.3
287.20145	0.7
289.21457	1.0
291.05099	0.9
291.23349	0.5
297.07547	21.8
301.21365	0.7
303.04947	3.7
303.23141	1.6
305.06512	3.0
309.07584	2.9
311.05402	1.3
311.08893	1.0
313.07294	0.7
313.10876	0.6
315.08572	37.4
315.23026	1.3
321.07245	0.7
323.07874	2.1
325.07047	0.9
327.04901	1.8
327.08566	1.1
327.23120	0.9
329.06345	1.4
329.24738	0.5
331.22525	0.8
333.24567	0.6
337.10583	0.6
339.08606	27.5
341.24585	1.3
345.24136	1.3
351.08572	2.0
351.12375	0.6
351.23172	1.8
357.09634	1.3
363.08600	10.1
365.10175	9.5
369.09439	0.8
369.24200	3.5
371.07581	2.2
371.25693	1.2
381.09656	28.7
383.11200	15.2
387.25446	2.8
389.08823	1.7
393.09717	1.6
399.10757	3.9
401.12265	9.4
405.09439	1.2
405.26407	2.7
407.10892	2.8
411.10422	0.7
417.11783	1.4
419.13303	10.5
423.10687	2.2
423.27222	1.0
425.12515	2.7
441.11832	0.5
443.13571	2.2
447.10880	0.8
461.13373	0.7
473.12201	0.7
503.23862	0.7
509.14322	1.8
521.25867	1.0
533.31671	0.6
539.26050	2.0
557.27472	1.9
599.28967	0.8
605.28021	0.7
608.43964	0.7
623.29596	0.6
641.30518	0.8
649.29828	0.8
659.32166	1.5
677.33032	1.9
695.33191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.5
65.03916	0.6
66.77688	0.4
67.05502	8.5
68.99793	0.5
69.03414	0.8
69.07059	3.5
69.95258	1.2
69.95672	0.9
71.04990	4.6
72.05298	0.4
73.02933	0.4
79.05484	7.3
81.03400	0.9
81.07051	7.4
83.04991	0.7
83.08610	1.8
85.02898	6.0
85.06548	0.6
86.03209	0.5
91.05473	8.5
93.07039	8.1
95.04949	1.7
95.08594	6.1
97.02862	1.1
97.06533	1.0
97.10156	1.2
99.08072	0.6
100.01080	0.4
105.07024	8.3
107.08585	5.2
109.02828	0.5
109.06502	1.0
109.10156	2.8
111.04439	0.6
111.08072	1.0
115.05412	0.6
117.07013	4.6
119.04951	1.9
119.08573	6.9
119.23785	0.4
121.02878	0.8
121.10130	3.0
123.08086	0.4
123.11642	0.7
125.09653	0.3
127.03881	0.9
128.06253	0.6
129.05469	1.7
129.07002	3.0
130.05798	0.4
131.08569	5.7
132.61745	0.4
133.10117	4.0
135.08003	0.5
135.11700	1.4
137.09599	0.5
141.06967	1.4
142.07809	0.4
143.08545	3.1
145.02840	0.8
145.10144	4.3
147.11685	2.6
149.13251	0.5
153.01831	4.9
153.06859	0.4
154.02115	0.6
155.08488	2.2
157.10095	3.4
159.11700	2.8
161.13272	1.3
163.11192	0.6
163.14804	0.5
167.08517	0.8
169.10127	2.4
171.02893	1.4
171.11707	2.5
173.13182	1.8
179.08540	0.5
181.10103	1.1
183.11678	2.1
185.13263	2.5
187.14824	1.0
193.10175	0.8
195.11678	1.6
197.13216	1.2
199.14847	0.8
203.14262	0.5
207.11757	0.6
209.13278	1.2
211.14676	0.6
213.16420	0.7
219.17383	0.5
221.13223	0.7
223.14966	0.5
229.04817	0.5
235.14653	0.5
237.16371	0.6
239.17961	1.1
241.19508	1.2
251.17917	0.5
257.18994	1.3
259.20569	1.2
261.22079	0.4
271.05994	100.0
272.06326	53.0
273.06564	2.7
275.20099	0.9
277.21567	0.5
291.19730	0.4
333.24115	1.9
341.24835	0.4
349.24362	0.7
434.86478	0.4
513.35669	0.5
515.38605	1.1
533.39813	0.9
539.37653	0.8
553.38654	1.6
567.40027	1.0
589.42395	0.5
607.43579	6.4
625.44763	3.0
694.32806	0.7
787.50220	0.5
840.38086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.384
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.5
67.01852	8.9
67.05502	20.6
68.99785	5.5
69.03429	12.0
69.07058	7.4
69.11046	1.4
69.72641	10.0
70.06554	1.4
71.01358	2.1
71.04990	61.4
72.08134	3.3
73.02905	2.7
75.04463	2.8
79.05482	19.3
81.03403	15.1
81.07054	23.4
83.04975	11.4
83.08607	4.7
84.45767	1.5
85.02898	70.0
87.04456	1.5
91.05481	30.4
93.07027	21.2
95.04976	8.7
95.08604	15.7
97.02888	9.1
97.06508	3.3
99.04437	3.1
100.34071	1.4
103.05405	2.2
105.07018	20.6
107.04935	10.5
107.08581	11.9
108.97890	1.5
109.02862	5.9
109.06495	3.4
109.10134	8.1
111.04433	11.4
115.03906	2.2
115.05446	3.3
117.07005	12.4
119.04933	17.5
119.08570	15.4
121.02824	2.1
121.06523	8.9
121.10111	11.2
123.04422	6.8
123.11723	2.7
125.02309	2.8
127.03910	7.3
129.05473	13.8
129.06982	7.1
131.04933	1.5
131.08556	15.4
133.06438	1.9
133.10110	11.3
135.04404	4.6
135.08049	3.9
135.11664	9.0
137.02315	1.7
137.06009	2.3
137.09610	2.3
139.03864	1.6
141.01801	4.4
141.06955	2.1
143.08554	10.4
145.06490	3.6
145.10133	14.2
147.04401	83.7
147.08018	3.6
147.11670	10.2
149.02142	1.5
149.05902	1.7
149.09566	4.2
149.13246	3.5
150.00806	1.5
151.03940	2.3
153.01816	72.7
155.08545	5.3
157.06468	2.7
157.10094	5.8
159.08081	3.0
159.11667	10.9
161.09560	2.8
161.13248	4.5
163.03851	3.6
163.07463	1.6
163.11142	1.7
165.01826	45.0
167.03401	5.9
167.07004	4.6
167.08490	2.8
169.10094	5.8
171.02873	98.8
171.07921	1.6
171.11653	6.7
173.09709	2.7
173.13271	6.9
175.11166	2.0
177.01822	6.5
177.12886	1.5
179.03362	13.3
181.10158	3.4
183.02879	68.6
183.04509	3.5
183.08109	2.3
183.11664	4.5
185.09529	1.9
185.13260	2.3
187.03928	2.1
187.11197	1.9
187.14854	1.9
189.01814	4.1
189.05356	1.5
189.12714	1.7
191.03365	11.5
193.04932	16.4
195.02887	34.8
195.11601	2.3
197.00893	1.9
197.09486	1.7
197.13356	2.4
199.11148	3.2
199.14868	2.3
203.03314	3.6
205.04987	2.4
207.02930	7.3
207.06438	9.4
209.04410	4.0
209.09830	1.8
215.03317	3.6
217.04977	5.1
219.02910	8.2
219.06413	3.2
221.04486	5.9
225.03780	2.4
225.12714	2.4
227.14293	1.5
229.04903	2.7
231.02902	2.2
231.06569	3.0
233.04390	3.6
233.07986	10.6
239.14313	1.8
241.04930	3.5
241.19528	1.8
243.02933	4.2
243.06624	3.0
245.04459	6.5
249.03769	3.6
257.04483	1.7
257.07809	1.6
257.15244	1.8
257.18939	3.3
259.05936	2.4
259.13190	1.5
259.20529	7.8
261.03903	9.2
263.12790	1.9
271.05975	12.5
271.09607	2.7
271.20456	2.8
273.07538	100.0
273.21921	1.9
274.07941	2.0
275.05313	1.9
275.09146	1.9
275.20062	3.7
283.20551	1.8
285.07559	32.0
287.09100	1.9
289.10779	10.8
289.21774	1.7
297.07550	5.9
297.22018	2.0
299.08990	2.5
301.21582	6.3
309.07465	4.0
311.08939	1.5
313.07300	2.7
313.10675	10.2
313.21521	3.5
315.08594	10.1
319.22678	2.3
325.10733	2.3
325.21564	2.8
327.12247	15.7
337.10611	2.1
339.08578	5.8
339.23373	1.9
349.10962	1.6
349.21664	3.0
351.08469	2.6
353.13824	5.9
361.23642	1.9
363.08453	3.8
367.22702	9.6
369.24167	3.9
379.11752	3.0
379.24683	2.8
381.09628	6.5
385.23749	14.6
387.25220	3.6
391.15292	2.4
397.23779	1.6
403.24741	14.0
409.16229	2.8
411.21561	4.5
415.14294	1.8
419.24255	2.0
421.25668	14.5
429.22534	2.3
433.15088	2.6
447.16910	1.6
453.22290	1.7
513.27734	4.6
517.18231	2.4
519.23572	6.7
531.29004	7.3
535.19568	3.9
536.09656	1.6
537.24799	8.7
549.29974	2.6
553.20502	5.4
555.25598	11.3
567.31219	3.6
571.21381	5.3
573.27362	5.1
639.29065	8.6
657.30640	11.5
664.01483	1.6
675.31348	9.2
693.33002	7.4
767.34131	1.8
785.34918	2.0
803.37610	1.6
821.37323	2.3
838.54407	6.9
839.54138	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	839.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	0.1
62.68664	0.1
65.03934	0.0
67.01857	0.3
67.05511	0.5
68.99759	0.3
69.03407	0.2
69.07047	0.1
69.37270	0.2
69.37693	0.3
71.01344	0.1
71.04987	2.6
73.02897	0.1
75.04456	0.2
79.05486	0.4
81.03439	0.3
81.07044	0.5
83.04976	0.4
83.08604	0.1
85.02896	3.5
87.04460	0.1
91.05476	0.5
93.07033	0.3
95.04966	0.1
95.08593	0.4
97.02873	0.2
99.04443	0.1
102.82814	0.1
103.03843	0.1
105.07001	0.2
107.08620	0.2
109.02866	0.2
109.10145	0.2
111.04420	0.3
113.06073	0.1
117.06985	0.1
119.04928	1.3
119.08546	0.2
121.02852	0.6
121.10149	0.3
123.04424	0.1
123.08044	0.1
123.11683	0.1
127.03883	0.3
129.01791	0.1
129.05470	1.0
129.06966	0.1
129.16930	0.0
131.08566	0.2
133.10118	0.2
135.11679	0.2
143.08586	0.1
145.02821	0.6
145.10110	0.2
147.06508	0.2
147.11662	0.1
149.13264	0.1
153.01816	3.4
157.06511	0.1
159.11676	0.2
161.13216	0.1
163.03893	0.3
167.07016	0.1
171.02881	1.3
173.05901	0.1
173.13264	0.1
185.05861	0.1
187.03877	0.1
197.06012	0.1
203.07013	0.2
225.05455	0.4
229.05019	0.3
243.06531	0.2
243.21033	0.1
247.06020	0.1
253.05072	0.1
254.05722	0.1
259.20575	0.1
261.22183	0.3
270.05222	0.1
271.05981	100.0
272.06296	1.8
272.09271	0.1
277.21594	0.1
280.38605	0.1
283.06003	0.2
295.05774	0.1
303.23062	0.1
313.07056	0.4
337.06665	0.1
342.40961	0.1
351.23273	0.1
369.24225	0.1
379.08142	0.2
381.09775	0.1
387.25229	0.2
405.26218	0.1
407.27612	0.1
407.64124	0.1
492.15439	0.1
693.32581	0.6
714.66901	0.1
839.39105	0.3
839.53748	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	839.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.0
63.02417	0.7
65.03936	1.7
67.05499	4.5
69.03423	5.9
69.07053	3.6
70.06584	2.5
70.26712	1.5
70.27079	2.7
71.04980	2.4
72.08154	3.8
73.02901	3.0
78.04710	0.8
79.05487	3.4
81.03416	8.6
81.07055	7.0
83.04979	1.8
83.08594	1.4
84.04476	0.8
84.08134	1.0
85.02898	9.3
85.06533	2.3
86.06061	1.5
86.09705	1.2
86.61451	0.8
87.04441	2.5
91.05466	5.8
93.07040	4.2
94.06561	4.3
95.04955	4.9
95.08598	4.9
96.08092	0.9
97.02898	7.6
97.06522	1.4
97.10138	1.0
98.06019	1.5
98.21451	0.8
99.04433	3.2
100.67849	0.8
103.03933	1.1
103.05423	1.4
105.07037	4.3
107.04938	3.7
107.08577	3.2
108.08121	5.0
109.02870	7.0
109.06493	1.9
109.10146	4.0
111.04403	2.0
112.07613	0.9
115.03915	1.5
115.25758	0.8
117.07024	1.5
119.04945	4.7
119.08591	2.7
120.04451	1.6
120.08078	3.0
121.02892	1.2
121.06503	2.3
121.10122	3.1
122.06035	13.2
123.04424	5.1
123.11732	1.8
124.05236	1.7
124.07558	1.5
125.05941	1.3
127.03920	11.9
128.04234	1.1
131.04927	1.6
131.08572	1.4
132.05618	0.8
132.08067	1.2
133.06453	2.4
133.10117	1.9
134.05997	3.5
135.04460	1.3
135.08022	1.4
135.11682	2.2
136.07582	7.4
137.05991	3.9
137.09601	1.1
138.05463	1.0
138.09117	1.0
139.07529	1.1
140.07039	3.5
143.08549	0.9
145.02824	1.8
145.04910	1.5
145.06497	1.6
145.10120	1.0
146.05994	2.6
146.09680	1.2
147.04398	16.7
147.11655	1.8
148.04726	2.0
148.07576	5.3
149.05974	2.9
151.03889	2.5
151.07507	2.4
152.04562	1.3
152.07024	2.4
152.08112	0.8
153.05457	1.5
158.09648	0.8
159.11678	1.3
160.07588	1.1
161.05954	3.3
163.03879	1.7
163.07486	2.4
163.11177	1.2
164.07054	3.1
165.05487	1.9
166.08635	2.2
167.07034	100.0
168.07288	3.7
171.06534	1.6
171.11760	0.9
172.03970	1.4
173.05911	2.4
173.09532	0.8
174.05418	2.3
175.03900	1.3
175.07474	1.2
177.05502	3.8
178.08556	1.4
179.07022	1.4
179.08586	0.7
181.04951	3.8
181.08626	2.2
189.05392	1.1
191.06773	1.1
191.08284	1.1
193.08597	7.3
195.10194	1.1
199.05977	0.8
200.07079	1.4
204.06525	2.1
205.08620	2.5
206.08243	1.2
207.06511	1.9
209.08154	1.2
209.10780	0.9
210.11438	1.2
211.09602	6.5
211.12329	1.6
213.10226	1.6
217.08649	1.0
221.10757	1.2
222.11510	2.6
223.08661	4.1
223.12277	3.6
224.09227	1.2
224.12993	1.0
225.10219	16.5
225.13829	2.7
226.10901	2.8
227.08324	1.0
227.11806	3.9
235.08490	4.2
235.12262	1.8
236.09370	5.9
236.12930	2.3
237.10219	11.2
237.13780	4.7
238.10925	9.6
238.14789	0.8
239.11752	13.6
239.15416	1.0
240.12521	5.4
241.09766	1.3
241.13306	2.6
243.11072	0.9
247.12389	1.4
248.09262	2.6
248.13071	1.1
249.10159	11.7
250.11006	15.5
251.08186	4.3
251.11775	49.2
252.08809	1.6
252.12491	8.3
253.09695	3.5
253.13333	13.7
254.13968	2.1
255.14832	0.9
262.11035	1.4
263.08820	0.9
263.11789	26.0
264.08798	1.6
264.12549	6.6
265.09750	10.7
265.13321	49.5
266.10513	5.1
266.13885	5.7
267.11423	4.9
267.14709	5.1
268.12030	2.4
269.12866	2.3
272.78165	0.9
275.11728	2.5
276.12598	1.1
277.10052	5.5
277.12836	4.9
277.16147	1.6
278.10361	5.9
279.11264	24.8
279.14407	0.8
280.11954	5.7
281.12888	7.4
282.13574	1.2
283.10706	7.4
283.14032	1.9
284.11652	1.7
285.12335	2.7
289.13358	1.1
291.11249	8.2
292.12039	3.8
293.09473	1.5
293.12778	25.2
294.13452	3.0
295.10754	4.5
295.14368	9.8
296.11542	3.4
297.12262	9.9
298.13010	3.3
299.13937	4.0
300.14453	1.0
301.07056	3.2
305.09210	1.2
305.12738	1.9
307.10703	2.4
309.12360	11.3
310.12878	4.6
311.13876	33.6
312.14420	2.5
313.15628	5.5
317.12946	1.1
319.10803	4.5
319.14233	1.0
320.11365	1.5
321.08374	1.1
321.12360	10.6
322.12808	1.4
323.09717	0.8
323.13849	3.1
324.14624	1.3
325.07098	1.0
325.11749	1.7
325.15436	2.2
327.13928	0.9
333.12103	0.9
337.07333	1.0
337.11658	5.3
338.12509	1.5
339.08823	2.0
339.13327	7.0
340.14340	1.3
341.15125	2.2
344.14011	1.2
349.16080	1.0
351.13229	4.8
352.13943	1.6
353.10562	0.7
353.14920	13.2
354.15506	1.6
355.16464	2.9
357.14545	1.8
358.15506	1.7
365.10117	2.3
365.14682	1.6
367.12198	0.8
369.14548	9.1
370.14877	1.2
371.11224	1.0
371.16000	14.1
372.16806	2.7
374.18961	1.0
379.12320	1.1
381.14377	3.0
383.15643	1.9
385.12805	0.9
385.17847	1.0
386.14148	0.8
386.18741	1.2
389.12057	0.8
393.13544	2.1
395.15842	1.4
399.15759	1.1
401.16672	1.2
407.15964	1.4
411.15100	4.9
413.17087	5.4
414.17929	3.6
416.19623	2.4
419.16284	2.4
422.15155	0.8
423.15289	2.6
424.16397	1.1
429.15598	2.3
432.19550	4.4
434.20792	1.2
435.15399	3.6
437.17093	7.2
440.15845	1.8
441.16595	2.6
442.17599	3.0
443.18155	1.3
443.31390	2.5
447.15570	1.8
453.16699	6.3
454.17291	2.1
455.18179	13.1
460.18686	2.2
461.32523	5.1
462.20020	1.4
463.14859	4.0
464.15338	1.1
465.16449	7.5
471.17813	1.4
472.18668	0.9
473.19040	2.5
474.20166	6.8
479.17950	2.7
479.33917	4.1
480.21185	2.3
481.15991	7.1
482.16608	3.6
483.17557	11.3
492.21292	5.6
494.22620	3.3
495.17361	4.2
496.18515	1.2
497.19214	10.1
497.34927	3.9
498.19720	1.1
513.18640	13.6
514.19354	2.8
515.20319	25.2
515.35333	1.8
516.20557	2.6
517.21576	1.9
523.76794	0.9
534.22211	9.2
540.21436	3.0
542.22473	2.3
543.19696	2.6
544.20129	1.5
545.21375	5.2
558.22626	4.3
560.23773	0.9
568.20502	3.1
575.22272	7.9
576.22736	3.5
577.23999	20.2
582.21631	0.9
586.12665	1.0
586.21863	16.6
587.22559	1.5
588.23114	3.5
594.24500	1.8
600.23419	32.2
601.24188	5.5
602.24341	1.3
604.22876	9.3
606.24689	5.1
613.23114	1.2
615.27698	3.1
618.24487	45.5
619.25092	9.0
620.25940	5.0
624.25220	2.2
636.25513	70.0
637.26123	7.9
648.25409	1.1
656.28949	0.9
666.26508	31.2
667.26825	2.1
675.30139	2.9
677.18829	1.0
681.28680	0.9
691.27588	2.7
698.29211	40.2
699.29065	3.6
709.28442	8.0
723.30359	12.2
724.29999	1.1
727.29590	5.2
741.19012	1.3
741.31262	21.4
742.30975	1.7
745.30151	2.7
759.32892	5.7
777.33411	5.9
787.70850	1.1
839.30322	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	839.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.7
67.05496	9.0
69.03427	7.1
69.07073	5.0
70.06580	4.5
71.04984	1.8
71.62862	1.5
72.08136	5.6
73.02898	3.7
79.05482	6.1
80.05024	1.4
81.03411	10.5
81.07045	9.1
83.04971	2.0
83.08594	1.7
84.08136	2.3
85.02893	13.7
85.06535	2.5
85.29092	1.2
86.06065	1.6
86.09682	1.3
87.04439	1.7
88.61308	1.0
91.05475	7.7
93.07029	7.6
94.06551	5.4
95.04958	5.8
95.08598	8.2
96.08133	2.0
97.02898	12.0
97.06506	2.6
99.04441	4.2
103.03922	1.6
103.05441	1.6
105.03399	0.9
105.07021	6.0
107.04939	3.2
107.08595	4.9
108.04469	1.2
108.08076	6.1
109.02869	8.9
109.06518	1.4
109.10146	4.9
109.11152	0.9
111.04424	2.9
111.08017	1.0
112.07581	1.3
114.10275	1.7
115.03900	2.0
115.05418	1.3
119.04944	5.5
119.08568	3.1
120.08095	3.0
120.08894	1.3
121.02819	1.1
121.06493	2.9
121.10151	2.4
122.06026	16.9
122.09644	1.6
123.04427	5.4
123.11715	2.5
124.05212	1.0
124.07592	2.0
125.06000	2.1
127.03915	19.5
128.04271	1.7
131.04926	2.3
133.06480	3.0
133.10115	4.1
134.06023	2.9
135.04433	2.4
135.08031	1.8
135.11664	2.8
136.07568	11.3
137.05981	4.7
137.13243	1.3
138.09129	2.1
139.03870	2.1
139.07513	1.3
140.07033	3.4
145.02779	1.6
145.04944	2.2
145.06421	1.6
145.08768	1.3
145.10098	1.6
146.05989	2.9
147.04396	25.4
147.11703	2.1
148.04765	4.7
148.07541	7.6
149.05984	2.0
149.13251	1.9
150.09145	1.5
151.03888	2.1
151.07533	3.2
152.07042	2.5
153.05421	2.4
154.08655	1.4
159.11624	1.4
161.05975	3.5
161.09602	1.5
162.05498	1.4
163.03920	2.1
163.07497	2.5
164.07068	5.2
165.05463	4.5
166.08661	4.7
167.07033	82.6
168.07387	4.8
171.06499	2.1
173.05957	1.7
173.13278	1.6
174.05511	3.6
175.03873	1.6
175.07512	1.1
175.14848	2.0
176.07002	1.1
177.05408	5.4
178.05864	1.5
178.08667	3.0
179.07036	1.3
181.04901	3.4
181.08774	2.0
186.09059	1.9
189.12726	1.4
190.08589	1.6
191.06987	1.8
191.10606	1.5
191.14258	1.7
193.08609	6.7
200.09311	1.6
204.06494	1.4
205.08554	2.0
206.08116	2.0
207.06499	2.1
210.09004	1.1
210.11459	1.2
211.09615	3.4
211.12155	1.2
221.10860	1.6
222.11359	2.3
223.08656	4.6
223.12279	4.7
224.09312	1.3
224.12970	1.7
225.10220	17.0
225.13858	4.3
226.10959	2.6
227.11732	5.3
234.11417	1.5
235.08617	6.6
235.12250	2.6
236.09406	4.5
237.10185	15.1
237.13821	5.1
238.10939	9.6
239.11772	18.4
240.12466	6.7
241.09756	1.7
241.13394	3.2
243.09395	1.2
248.09404	4.7
248.13142	1.3
249.10179	15.7
249.13928	1.4
250.10968	17.8
251.08147	3.3
251.11771	56.8
252.08812	1.3
252.12622	7.4
253.09778	4.2
253.13329	17.5
254.14081	1.9
255.11336	1.2
261.10251	1.5
262.11096	1.6
263.11783	28.6
264.08813	1.8
264.12512	6.6
265.09778	10.2
265.13339	50.5
266.10474	5.5
266.14017	7.3
267.11316	7.9
267.14487	4.9
268.12033	3.6
269.12878	1.8
271.05942	1.9
271.10712	1.7
275.11633	3.0
276.12564	1.3
277.09750	6.5
277.13321	4.6
277.16199	1.2
278.10446	7.3
279.11285	26.9
280.12033	7.8
281.12802	7.0
283.10764	7.7
283.14352	3.1
284.11353	2.0
285.12329	2.5
291.11163	8.4
292.11981	3.4
293.09332	1.1
293.12805	26.9
294.13580	3.4
295.10770	4.1
295.14413	9.1
296.11499	3.9
297.12338	11.3
298.12997	4.6
299.13892	7.9
300.14529	1.5
301.07352	1.5
303.11093	1.4
305.12683	2.2
307.10562	2.1
309.08374	1.5
309.12283	13.2
310.13083	5.4
311.13870	41.1
312.14459	3.5
313.07013	4.4
313.15427	6.3
314.07364	2.0
319.10812	5.1
320.11484	1.4
321.12314	11.5
323.13818	3.8
324.14703	1.6
325.07181	2.5
325.11707	1.7
325.15402	1.4
333.12332	1.5
335.14038	1.4
337.07318	1.5
337.11694	3.6
338.12766	3.6
339.08820	1.6
339.13345	7.9
341.14804	3.7
344.13818	2.4
347.13950	1.6
351.13177	5.2
352.14127	1.9
353.10657	1.4
353.14880	13.7
354.15448	1.5
355.16611	2.0
356.13541	1.1
357.09952	1.2
357.14496	3.4
358.15448	2.6
363.13074	1.5
369.14426	12.5
370.15128	3.2
371.11676	2.2
371.16003	19.1
372.16849	3.3
377.14490	1.6
379.12427	2.2
381.09732	3.2
381.14325	3.1
383.15540	3.0
386.18564	3.1
388.16055	1.5
389.12289	1.7
393.13562	2.2
395.16116	1.7
396.16837	2.1
399.15802	1.3
400.16422	2.9
401.16672	3.3
411.15295	4.8
412.16501	1.8
413.17325	6.8
414.18210	6.2
415.13898	2.3
416.20099	2.2
419.15839	2.8
423.15598	2.4
427.18799	1.6
429.15918	2.0
432.19403	5.0
433.16016	4.4
435.15417	3.7
437.17148	6.5
441.16385	2.9
442.17291	4.4
443.31586	3.0
444.18982	1.8
447.15677	1.6
451.16974	3.1
453.16458	6.0
454.17377	1.7
455.18158	13.5
460.18494	3.5
461.17883	1.6
461.32779	5.0
463.14749	2.9
464.15549	1.3
465.16495	7.4
471.17426	2.4
473.19064	2.2
474.19940	7.1
479.18024	3.7
479.33966	5.5
481.15512	5.5
482.16782	3.2
483.17542	13.6
484.17740	1.9
492.21005	5.6
495.17816	2.3
497.19308	7.3
497.34555	3.1
499.17957	1.5
513.18555	15.5
514.19067	2.4
515.20233	31.3
515.36084	2.6
517.21533	1.6
530.22644	1.4
534.22388	12.9
540.21088	2.2
542.22614	1.6
543.19635	3.1
545.21417	4.9
558.22076	5.3
568.20825	5.6
570.22729	1.8
575.22290	11.0
576.23175	5.0
577.23926	33.7
578.24146	1.6
582.22607	1.3
583.25104	1.4
586.21796	19.9
587.22479	1.6
588.22925	3.7
600.23352	36.7
601.24158	11.7
602.24481	3.0
604.22894	16.0
606.24353	3.7
618.24408	45.6
619.25055	21.9
620.25909	6.5
624.25275	1.7
630.25183	1.7
636.25482	100.0
637.25916	6.6
638.26770	1.8
648.25488	1.5
655.27374	3.0
666.26465	26.3
675.30017	4.1
681.78723	1.4
691.26691	2.9
698.29163	60.1
699.29138	4.5
709.28424	11.4
723.30151	20.5
724.30981	1.4
727.29291	4.6
741.31183	39.1
742.31329	2.4
745.31403	2.5
759.32153	5.2
777.32996	9.2
839.31989	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	839.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	0.1
63.02364	0.1
65.03941	0.2
66.04722	0.1
67.01855	0.1
67.05481	0.3
68.99800	0.1
69.03429	0.4
69.07059	0.5
69.68349	0.3
69.68773	0.2
70.06586	0.9
71.04980	0.2
71.06897	0.1
72.08134	0.2
73.02908	0.1
78.04700	1.4
79.05486	1.2
81.03407	0.6
81.07047	0.5
83.04963	0.2
85.02891	0.6
85.06525	0.1
91.05465	0.9
93.03385	0.2
93.07027	0.6
94.04171	0.1
95.04963	0.7
95.08592	0.3
96.05746	0.2
97.02875	0.5
97.06524	0.2
98.21554	0.1
99.04442	0.3
103.05427	0.4
105.03407	0.2
105.04498	0.1
105.07019	1.5
106.04163	0.6
107.04950	1.6
107.08576	0.3
108.08112	0.1
109.02847	0.5
109.06494	0.2
109.10143	0.2
110.03617	0.1
111.04425	0.2
112.07596	0.6
113.07924	0.1
115.05438	0.4
117.06976	0.4
119.04933	0.5
119.08560	0.3
121.02828	0.1
121.06499	0.8
121.10124	0.2
122.03606	0.2
122.06039	0.1
123.04418	4.2
123.08025	0.1
123.11701	0.1
124.05195	1.9
124.29232	0.1
125.05971	0.3
127.03899	1.1
129.07054	0.1
131.04892	0.2
131.08545	0.3
133.06479	1.5
133.10121	0.1
134.03633	0.3
135.04402	0.3
135.08064	0.2
135.11673	0.1
136.07584	0.1
137.02238	0.1
137.05948	0.8
138.05461	0.1
139.03922	0.1
139.07541	0.1
140.04675	0.1
140.07033	0.6
141.07411	0.1
145.02853	0.1
145.06465	0.7
146.06041	0.1
147.04381	0.8
147.08069	0.2
147.11685	0.1
149.05960	1.0
151.03911	0.8
151.07524	0.3
152.04659	1.4
153.05434	0.2
155.07068	0.1
157.06450	0.1
159.08066	0.3
161.05986	1.3
161.09651	0.1
161.13202	0.1
163.03873	0.2
163.07544	0.3
165.05502	0.2
165.09058	0.1
166.06271	0.2
167.07022	100.0
168.04196	0.2
168.07350	1.7
171.06482	0.2
173.05954	0.9
175.03865	0.2
175.07559	0.2
175.14880	0.1
177.05493	0.5
177.06868	0.1
179.07004	0.5
180.07793	0.1
180.10179	0.1
181.04897	0.5
181.08565	1.9
183.06557	0.2
187.07535	0.3
189.05495	0.1
190.06273	0.4
191.06998	0.3
193.08589	8.2
194.08878	0.1
194.72418	0.1
195.08319	0.1
195.10158	1.1
199.07516	0.1
202.06139	0.1
203.07056	0.2
205.08595	1.5
207.06485	0.7
207.10118	0.2
209.08078	0.3
210.08948	0.2
211.09639	6.2
215.10677	0.1
217.08604	1.0
219.06494	0.1
219.10031	0.5
221.11658	0.1
223.09529	0.1
225.10226	0.1
231.10152	0.1
233.08080	0.1
234.08896	0.2
235.09747	0.4
237.10178	0.1
239.09157	0.1
239.11673	0.2
245.11691	0.3
247.09660	0.2
249.11055	0.1
250.10982	0.1
251.08017	0.1
251.11882	0.4
253.10675	0.3
253.13249	0.2
255.06487	0.5
263.11816	0.2
265.10593	0.4
265.13342	0.2
271.06033	0.2
279.11133	0.2
280.07050	0.1
283.06006	0.1
284.11331	0.1
285.07416	0.2
293.12906	0.2
297.12283	0.1
299.13846	0.1
301.57028	0.1
307.09616	0.1
309.12308	0.2
311.13791	0.3
315.08566	0.2
321.11554	0.1
323.09067	0.1
323.12930	0.1
325.07031	0.2
330.10852	0.5
331.12146	0.1
337.10684	0.1
339.12415	0.1
351.08514	0.1
351.12332	0.2
353.10028	0.2
353.14536	0.2
359.15176	0.1
369.13599	0.1
371.15051	0.3
373.16574	0.1
383.14938	0.7
385.16495	0.2
393.13217	0.1
397.13000	0.1
401.16025	0.7
411.14594	0.2
415.13522	0.1
419.16458	0.2
429.15414	0.2
443.31644	0.1
461.32449	0.2
479.33521	0.1
494.22778	0.1
497.19135	0.1
497.34399	0.1
513.18445	0.1
515.20294	0.1
534.22296	0.1
577.23322	0.1
600.23242	0.2
611.24518	0.2
618.24664	0.4
636.25641	0.5
698.28510	0.3
709.28638	0.1
741.31256	0.3
762.53094	0.1
839.31781	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	838.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	0.2
61.02936	0.3
63.02369	0.3
65.03947	0.2
67.05508	0.3
69.03424	3.3
69.07085	0.2
70.06581	0.8
71.04984	0.8
71.61619	0.1
72.08160	0.2
73.02916	1.4
73.50637	0.1
77.86665	0.1
78.04699	0.1
79.05495	0.4
81.03412	5.3
81.07049	0.6
81.09665	0.1
82.06585	0.1
83.01315	0.2
83.04982	1.0
84.04514	0.2
84.08134	1.9
85.02900	6.4
85.06553	0.1
86.09692	1.4
87.04482	0.4
89.03905	2.3
91.05445	0.6
93.07049	0.5
95.01287	0.2
95.04963	0.6
95.08581	0.4
96.08126	0.2
97.02883	4.6
97.06501	0.3
98.06050	0.2
98.09689	0.2
99.04447	6.7
101.02344	0.2
103.03936	2.5
103.05428	0.2
105.07008	0.5
105.19453	0.1
107.04952	0.5
107.08588	0.5
109.02871	12.8
109.06532	0.2
109.10143	0.3
110.03191	0.2
111.04456	0.3
111.91505	0.1
112.07596	3.7
112.68772	0.1
115.03909	0.3
115.05426	0.2
116.07066	0.1
117.03365	7.7
117.06979	0.2
119.04933	0.6
119.08535	0.3
121.02877	0.2
121.06474	0.3
121.10110	0.3
123.04400	0.9
123.08072	0.2
123.11703	0.2
124.07615	0.2
125.26587	0.2
127.03905	36.7
128.04254	0.4
131.04951	0.3
133.06462	0.4
133.10106	0.5
134.03618	0.5
135.04396	1.1
137.02356	0.1
137.05972	1.4
138.05519	0.2
139.03862	0.2
140.07034	0.3
140.73390	0.1
145.02832	37.7
145.04932	4.0
146.03197	0.5
147.04376	1.2
147.11650	0.3
149.02332	0.5
149.05954	2.8
151.03899	0.4
151.07469	0.2
153.01802	0.3
153.05444	0.2
157.04933	0.2
158.06087	0.2
159.04437	0.2
161.05962	0.6
162.03152	0.4
163.03894	0.7
163.06020	1.0
163.07503	0.3
167.07030	4.1
167.08406	0.3
168.07346	0.2
169.04962	0.6
173.13327	0.2
175.03909	0.5
177.05453	100.0
178.05830	1.5
181.04994	0.4
181.06502	0.2
181.08391	0.1
186.05528	1.8
187.06024	1.5
187.07597	0.1
189.05280	0.2
191.08162	0.5
191.14371	0.1
192.08478	0.2
193.04990	0.2
193.08568	0.3
197.06097	0.1
199.05949	0.2
201.05452	0.2
203.07030	0.2
205.05188	0.2
205.07042	0.5
205.08673	0.2
207.06491	0.9
207.10141	0.1
208.06851	0.2
209.05972	0.2
209.08084	0.4
211.05933	0.3
211.09583	0.3
213.09041	0.2
215.06993	0.2
217.05026	0.3
219.06522	0.2
219.10173	0.3
227.09023	0.2
234.11224	0.5
235.05952	0.7
239.06943	0.2
241.08566	0.7
243.06358	0.2
247.12022	0.2
253.07018	1.9
255.06453	0.2
257.07953	0.3
259.09656	0.5
262.14355	89.5
263.14685	1.7
271.05896	0.2
271.08154	3.0
285.07516	1.3
289.09171	0.9
301.07016	0.6
303.08524	0.5
307.13040	0.2
316.15552	0.7
321.09570	0.2
325.13919	0.2
326.07388	0.2
332.14789	0.3
342.16980	0.6
352.15488	0.5
353.99670	0.1
370.16510	1.2
379.10233	0.3
388.17520	0.6
395.11432	0.2
397.11282	0.6
401.14938	0.3
406.18539	0.7
415.12195	0.6
418.16074	0.1
424.19260	0.2
447.13174	0.2
488.22800	0.2
490.20416	0.2
506.23801	3.2
508.21875	0.8
532.21570	1.8
537.12555	0.2
550.22595	0.6
555.14709	0.2
568.23950	2.1
610.24414	0.5
622.36035	0.2
627.18799	0.2
640.23846	0.2
658.24841	0.9
676.26031	2.0
694.27136	0.8
712.27704	0.6
720.32104	0.2
820.30859	0.2
838.33875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.4
69.03423	1.4
70.06586	1.8
71.05000	0.9
71.53816	0.5
71.54149	0.6
72.08149	3.3
73.83194	0.4
81.03436	1.1
83.04967	0.5
84.04481	0.6
84.08150	1.1
85.02891	3.0
85.06539	0.4
86.09711	0.9
87.00842	0.4
91.05494	1.0
93.07062	0.5
95.04948	0.6
97.02889	1.9
98.06070	0.5
105.07045	0.5
109.02906	1.2
110.02420	0.9
111.04279	0.8
113.03521	1.2
119.04971	1.4
120.08132	0.5
121.02888	0.6
123.04445	0.5
127.00056	0.8
127.03892	4.1
129.05508	0.4
131.04945	0.5
131.12895	0.4
133.66138	0.3
136.07550	0.4
137.06012	0.8
138.05554	0.7
141.05252	0.7
147.04399	4.6
148.04793	0.6
149.05943	0.3
151.03806	0.7
152.07060	1.1
153.01833	0.6
159.08141	0.4
163.03941	0.7
163.07547	0.6
167.03241	0.6
167.07030	2.2
169.04761	1.1
169.09749	0.5
172.05020	0.5
173.05844	0.5
175.03931	1.0
176.04420	0.5
177.05484	0.8
178.08592	0.4
179.03465	0.5
181.05045	0.5
189.05214	30.4
190.05965	2.8
205.08644	0.4
207.06493	1.1
210.45868	0.4
218.11858	0.5
227.05241	0.4
231.06308	0.3
235.14282	0.5
239.06776	0.7
255.04732	0.6
266.42679	0.4
271.04041	1.8
273.07330	0.4
291.96237	0.4
313.22894	0.3
319.12982	1.0
339.08908	0.4
353.09610	0.3
356.12119	0.4
356.56290	0.4
383.49796	0.4
399.08807	0.5
403.21317	0.4
411.13681	0.4
415.08566	3.6
429.15219	3.8
430.16028	0.6
431.16711	0.5
443.16476	0.6
444.17505	4.4
445.18335	16.3
446.18863	0.4
456.51575	0.4
457.18710	0.4
473.18033	0.5
487.19171	0.5
573.19586	0.4
585.18567	0.4
589.22638	1.8
589.31287	0.4
607.22882	0.5
649.24359	1.7
837.27710	100.0
838.27808	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	835.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.2
65.03927	1.8
67.05177	0.8
67.05502	12.8
69.03418	5.0
69.06727	1.1
69.07060	12.1
69.42648	0.7
70.01286	4.0
70.06570	2.2
71.01331	0.7
71.04967	2.5
72.08138	1.8
73.02901	0.9
79.05475	6.9
80.48936	0.7
81.03405	5.2
81.07050	17.1
82.07403	0.8
83.04961	3.0
83.08603	7.1
84.04478	0.9
85.02905	7.6
85.06512	2.2
86.03250	0.8
89.92464	0.6
91.05474	8.6
93.07027	8.3
95.04937	3.0
95.08597	13.1
97.02886	6.9
97.06502	2.8
97.10168	4.8
98.21414	0.9
99.04440	2.2
100.56656	0.7
103.05460	1.2
105.03389	2.4
105.07005	7.2
107.04939	2.4
107.08592	5.6
109.02872	5.4
109.06482	1.4
109.10149	7.1
111.04411	1.6
111.08057	1.9
111.11690	1.7
117.03278	1.0
117.07061	1.4
119.04921	7.7
119.08572	5.2
121.02853	21.9
121.10131	5.4
123.04439	4.0
123.08041	1.2
123.11669	2.2
125.05981	1.1
125.09608	1.3
127.03915	10.3
129.06929	0.8
131.04871	1.8
131.08533	1.5
133.06454	1.3
133.10110	3.3
135.04376	1.7
135.08018	1.2
135.11674	4.7
137.06010	1.7
137.09563	1.6
137.13193	1.8
139.11147	0.6
140.53627	0.7
145.02821	4.8
145.04961	1.7
145.10101	1.8
147.04405	7.0
147.11647	3.1
149.02327	0.7
149.05972	2.0
149.13243	1.5
151.03851	1.4
151.07491	1.0
151.11166	1.7
151.14833	1.1
153.01831	1.3
153.05443	1.2
153.12669	0.8
157.10043	1.3
159.11736	1.4
161.05920	1.7
161.09608	1.0
161.13231	2.4
163.03867	4.7
163.07538	1.7
164.06978	0.8
165.09149	0.7
165.12727	1.0
167.03407	1.3
167.07004	7.3
173.13240	1.0
175.03920	4.4
175.14798	2.4
177.05441	3.8
177.09077	2.4
179.03419	1.2
179.06927	0.8
181.04887	2.5
181.08545	0.8
185.13268	0.9
187.03911	1.1
189.01808	2.0
189.09157	0.9
191.03375	7.1
193.12119	0.7
195.02849	1.8
201.01871	1.0
203.03357	3.7
205.04964	1.0
205.08499	1.0
207.02856	7.1
207.06450	6.9
208.06866	0.8
209.04427	3.7
215.03453	1.7
217.04968	2.4
217.19495	3.8
219.02908	7.8
221.04474	1.4
225.03778	1.1
229.08504	1.1
231.02924	1.8
233.04407	1.9
235.20578	5.4
239.06998	1.0
245.04367	1.7
251.06996	1.3
253.08472	0.8
253.21584	6.3
255.06464	1.5
267.06381	2.5
268.07315	2.3
269.08051	1.1
271.05930	1.7
271.22827	0.8
273.03931	1.8
279.06418	3.5
280.07245	2.8
281.08112	7.3
283.05966	5.7
284.06827	2.4
291.06482	2.2
293.07986	2.0
294.05200	24.7
295.05969	26.2
295.09338	1.7
296.06754	2.7
297.07672	4.4
298.04834	1.0
298.08167	1.2
299.12750	1.9
300.06174	1.3
300.12781	0.9
305.08090	1.4
307.05991	51.3
308.06720	14.4
309.07538	28.1
310.08127	1.0
311.05426	1.5
313.07034	9.4
315.08426	3.7
317.07968	1.5
319.06030	10.3
320.06796	3.4
321.07538	15.3
322.08353	1.8
323.05511	1.6
323.08829	1.3
325.07013	24.9
326.07507	1.0
330.07025	0.8
332.06635	1.0
333.07510	5.1
335.05344	2.2
335.09128	4.4
336.06183	4.2
337.07013	100.0
338.07245	2.4
339.08554	6.5
345.07471	3.6
347.09103	3.0
348.06183	1.1
349.07022	12.3
349.10760	1.4
350.07773	1.0
351.08609	8.6
353.06372	1.2
355.03784	1.4
355.08072	16.8
361.07022	11.2
363.08551	9.5
365.10049	1.9
367.08038	11.3
367.11661	0.9
371.09048	0.9
373.07178	3.5
375.08493	3.4
377.10349	1.8
379.08035	30.0
379.11847	1.7
381.09488	1.4
385.08932	1.0
389.79120	0.8
391.08075	36.2
393.13510	1.1
395.11237	0.9
397.09186	2.6
399.10730	7.4
403.09573	5.6
405.09576	1.5
409.09100	24.6
415.09760	1.1
415.26743	2.4
419.11050	1.0
421.09082	4.1
421.16174	0.9
423.10730	0.8
427.10193	92.3
428.10367	2.2
433.08966	5.0
439.10446	3.7
445.11298	15.7
451.10172	6.5
457.11176	6.8
463.09763	1.2
467.16901	1.8
469.11279	11.7
475.10666	1.6
481.11053	2.1
493.11029	3.6
493.31866	1.2
499.12350	1.1
511.12469	8.0
529.13434	10.5
538.36499	0.8
547.14417	12.4
583.29120	1.1
589.27264	1.1
607.28796	5.8
612.57916	0.8
625.29858	2.9
661.29633	1.6
679.19867	1.4
679.30890	14.7
685.32062	2.1
697.32092	21.2
703.32983	3.0
709.31616	1.6
715.33313	10.7
727.33032	11.2
745.34113	14.4
763.31879	1.0
781.33289	1.0
799.35590	7.7
817.23041	1.2
817.36542	13.4
835.37543	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	835.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.3
65.03944	0.2
67.05499	0.2
69.03428	2.6
69.52561	1.3
70.06587	0.4
71.01376	0.1
71.04989	0.7
72.08155	0.9
73.02922	0.8
77.03954	0.1
77.51817	0.1
79.05472	0.4
81.03416	3.1
81.07037	0.1
83.01334	0.3
83.04984	0.5
83.79736	0.1
85.02899	5.0
87.04456	0.4
89.10777	0.2
91.05470	0.7
93.07034	0.5
95.04961	0.4
95.08614	0.3
97.02886	37.8
98.06075	0.2
98.09709	0.1
99.04450	5.6
103.03934	1.8
103.05446	0.2
105.07018	0.8
107.04947	0.4
109.02870	6.0
109.96036	0.1
110.02386	1.2
111.04427	0.7
113.02364	0.2
115.03923	6.3
115.04742	0.3
119.04945	0.6
121.06519	0.8
123.04408	0.4
123.08099	0.3
125.02303	0.2
125.05997	0.2
127.03909	100.0
128.03432	0.1
128.04192	0.7
129.05544	0.2
131.04922	0.4
133.06485	0.5
135.04416	0.4
135.08067	0.2
137.02321	0.2
137.05975	0.4
139.03906	1.3
145.04939	2.1
145.06096	0.2
147.04395	1.6
148.04840	0.2
149.06004	0.9
151.03888	0.3
151.07550	1.2
152.07057	0.8
157.04935	1.8
159.04329	0.3
161.06009	1.1
163.03922	0.4
163.06013	0.2
165.05440	0.3
167.07059	0.4
169.04985	0.6
169.09683	0.3
173.04448	0.3
175.06000	0.6
175.14757	0.1
177.05460	1.7
179.06998	0.7
181.04967	1.5
187.03958	0.2
187.06003	1.0
193.04956	1.4
195.06529	0.2
197.08105	1.3
199.05960	1.3
205.03130	0.3
205.04979	3.7
205.06998	0.6
211.06035	0.2
218.11757	0.2
223.05988	7.1
229.07068	0.4
235.06047	0.2
241.07047	9.3
253.07092	0.4
257.06586	0.2
259.08145	4.1
270.09192	0.1
271.08145	1.4
283.08057	0.3
289.09210	1.1
301.09116	0.2
349.09052	0.4
362.17386	0.3
362.67447	0.3
363.17749	0.2
367.10284	1.5
373.11179	0.2
381.18076	1.0
385.11142	1.5
403.12341	2.3
421.13354	3.8
422.13464	0.1
529.15411	0.6
547.16205	0.4
835.29449	0.3
868.57892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.6
65.03933	0.4
67.05495	5.3
69.03419	3.5
69.07073	1.2
69.28994	1.5
69.29414	2.9
71.04986	0.9
73.02908	4.6
76.79332	0.4
79.05495	3.9
81.03409	1.7
81.07047	5.5
83.04968	0.5
83.08605	0.6
85.02895	5.5
85.81609	0.3
90.66908	0.3
91.03950	3.2
91.05477	3.5
92.80898	0.4
93.07025	4.1
95.04977	0.8
95.08597	4.1
97.02892	4.8
99.04471	1.0
101.02401	1.5
105.07034	1.6
106.94073	0.4
107.08573	2.5
109.02870	0.8
109.10161	1.1
115.03934	0.6
117.07008	0.7
119.08595	1.5
121.10143	1.5
127.03940	1.4
131.08588	1.3
133.10167	1.2
135.11714	0.9
143.08632	0.4
145.10121	0.6
147.11699	0.7
159.11772	0.7
161.13268	0.5
185.04225	0.7
243.08429	2.2
300.25775	0.3
315.19623	0.5
333.20248	4.7
334.20581	0.4
335.26010	1.0
382.94162	0.4
442.84836	0.4
465.20892	2.4
519.29242	8.0
520.29193	0.6
551.28259	3.0
743.43188	1.3
774.50940	0.4
829.50598	100.0
830.50824	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	829.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	0.3
61.02919	3.3
65.03924	0.3
67.05499	3.9
69.03419	2.5
69.07067	1.2
69.30170	0.6
69.30582	2.4
71.04987	0.5
72.88045	0.3
73.02910	3.3
74.88496	0.2
76.88919	0.2
79.05483	3.0
81.03422	1.1
81.07049	4.2
83.08618	0.4
85.02898	4.5
91.03948	2.6
91.05461	2.6
93.07028	4.2
95.04977	0.4
95.08588	2.9
97.02877	3.4
98.21505	0.5
99.04467	0.8
101.02372	1.9
104.97192	0.2
105.07014	2.3
107.08586	1.9
109.02872	0.6
109.10169	0.9
115.03957	0.3
117.07030	0.8
118.05178	0.2
119.08583	2.0
121.10094	1.4
123.08092	0.3
123.11726	0.3
127.03896	1.3
129.07056	0.3
131.08566	0.8
133.10150	1.0
135.11705	0.8
143.08557	0.4
145.04994	0.3
145.10168	0.8
147.11700	0.8
149.13339	0.3
159.11752	0.6
173.13297	0.3
184.22777	0.3
185.04242	1.0
185.13441	0.3
243.08353	2.5
247.13185	0.6
262.17526	0.3
333.20392	2.4
335.25964	0.7
358.26743	0.3
366.18472	0.3
389.23019	0.5
390.95691	0.3
414.91928	0.3
465.20795	3.0
465.26697	0.3
519.29315	4.3
551.28186	6.2
591.30969	0.3
743.43127	1.0
829.50586	100.0
830.50867	9.3
861.20599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	0.6
65.03954	0.5
68.99789	1.3
69.03405	1.6
70.06586	7.6
71.04983	6.1
71.62642	0.7
72.08149	53.8
73.02885	0.6
73.08512	0.4
75.04462	0.4
79.05488	0.4
79.83181	0.3
81.03409	1.5
81.07053	0.5
83.04977	1.1
84.08144	1.8
85.02897	9.7
86.09686	0.7
87.04464	0.9
89.03886	0.4
89.10784	17.5
90.87666	0.4
91.05476	2.5
93.07027	0.5
95.04974	1.2
97.02864	2.9
98.06033	0.9
98.09664	0.8
99.04446	1.1
99.20760	0.3
102.78433	0.3
105.07037	0.6
107.04925	1.9
107.08567	0.4
109.02876	1.4
110.02394	1.1
110.06038	1.1
110.07181	0.4
111.04418	1.5
112.07578	0.4
113.10758	0.4
114.09145	3.0
114.10308	0.7
115.05409	0.4
115.08695	1.0
117.06988	0.5
119.04935	7.2
121.02863	4.0
121.06496	0.8
121.32047	0.3
122.06045	0.3
123.04384	0.4
124.11233	1.1
127.03910	5.3
129.05486	0.9
131.04913	0.6
131.11774	1.1
133.06468	0.4
135.04417	0.9
135.07991	0.3
137.05919	0.4
145.02850	0.6
145.04938	0.8
145.06516	0.4
147.04395	62.1
148.04715	1.6
150.09106	0.5
151.03859	0.4
152.07095	0.7
153.01804	1.0
155.04909	0.7
159.04466	0.4
161.05943	1.2
162.09093	0.4
163.03889	1.9
164.10686	2.7
164.15227	0.3
167.07040	2.3
169.09723	0.6
171.04379	1.3
173.05968	5.9
175.03889	6.2
176.07083	0.5
177.05464	6.8
181.13365	2.2
182.11729	3.3
183.04373	0.4
187.05019	6.2
189.05469	1.2
192.79466	0.3
193.08716	0.4
198.11275	1.6
199.03903	1.1
199.14421	4.4
201.05453	7.8
203.03371	100.0
204.03723	1.9
213.05481	0.4
215.03378	2.1
215.13902	0.9
217.04871	2.0
218.11723	0.7
221.04419	5.4
227.03401	1.9
235.14429	1.1
236.12680	0.4
239.03375	1.5
243.02963	3.0
245.04410	3.7
249.16010	0.4
253.04965	1.0
257.04431	5.4
265.04904	1.0
265.19012	0.4
267.02698	0.4
269.04468	3.6
271.02344	14.8
271.05911	1.2
273.04004	0.6
275.05466	1.4
279.02908	2.7
281.08090	0.8
285.03983	3.0
287.05493	0.5
289.03397	57.1
290.03702	1.1
293.04510	0.6
295.02347	1.9
295.05804	0.7
297.03897	1.8
313.03391	40.2
314.03604	1.0
321.04007	4.1
321.07626	0.5
331.04449	15.5
339.04865	2.9
345.07523	1.5
347.09140	0.5
355.05988	0.4
359.08942	0.7
369.07516	0.9
371.09528	0.4
373.07025	4.9
381.18167	0.6
387.08624	2.4
391.08069	11.8
415.08057	3.8
433.09143	5.5
504.16443	2.8
521.19159	69.8
522.19385	3.0
563.20557	2.0
587.19806	0.9
599.19879	1.1
613.21899	6.0
631.22858	6.4
647.22333	1.6
683.24377	34.8
684.24841	1.8
725.25208	1.2
775.26904	2.9
793.27936	1.1
817.17883	0.4
829.29596	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	829.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.4
61.93777	0.2
65.03937	0.3
67.05499	0.5
67.82650	0.3
68.99791	1.2
69.03408	1.7
69.07047	0.9
69.34254	0.3
69.34657	3.0
69.35255	0.3
70.06581	8.3
70.06941	0.5
71.04984	7.7
71.06955	0.3
72.08144	70.2
73.02904	1.1
73.08485	0.5
75.03906	0.2
75.04455	0.8
81.03422	1.4
81.07053	0.3
82.06615	0.3
83.04975	1.3
84.04478	0.3
84.08137	3.1
85.02892	11.1
86.06058	0.5
86.09683	2.3
87.04451	0.5
89.10779	21.0
91.05463	2.7
94.06529	0.3
95.04964	1.7
97.02877	2.0
97.06524	0.3
98.06049	1.6
98.09688	0.5
99.04448	0.9
101.05995	0.3
103.12341	1.3
104.03406	0.3
105.07034	0.3
107.04942	1.7
109.02866	0.8
109.08910	0.3
110.02380	0.8
110.06024	1.1
111.00786	1.1
111.04428	1.6
112.07597	0.5
113.10725	0.5
114.09152	3.9
115.08670	0.7
117.07024	0.3
119.04926	7.6
119.08529	0.3
121.02841	2.4
121.06496	1.1
122.06056	0.4
123.04399	0.5
127.03888	3.1
128.10735	0.6
129.05486	1.7
129.10204	0.5
131.04866	0.4
131.11760	1.5
135.04413	0.7
135.51556	0.3
136.07628	0.3
140.03360	0.3
140.07034	0.6
145.02914	0.3
145.06509	0.5
147.04387	58.6
148.04733	1.8
149.05943	0.5
150.09142	0.8
150.12782	0.5
151.03886	1.1
152.07158	0.4
152.14355	0.8
153.01817	0.9
154.01324	1.5
155.04866	0.5
155.11765	0.3
157.09712	0.4
159.04387	0.3
161.05957	1.0
163.03920	0.9
164.10687	2.5
167.07043	1.1
167.11884	0.3
168.10219	0.3
171.04335	1.3
172.02371	0.6
173.05971	4.9
175.03874	4.3
175.05225	0.3
176.10677	0.5
177.05467	5.2
179.03421	0.5
180.10156	0.5
181.06575	0.2
181.13326	1.2
182.08109	0.6
182.11737	2.6
182.62726	0.3
183.04367	0.3
183.07750	0.4
187.05006	4.2
189.05453	0.7
190.12346	0.6
193.04912	0.4
193.08482	0.3
193.13403	0.5
197.00620	0.3
198.11209	2.3
199.03958	0.6
199.10674	0.6
199.14368	2.7
201.05457	6.4
203.03365	94.3
204.03677	2.1
208.05942	1.4
211.03871	0.3
213.05453	0.7
215.03397	1.8
215.13892	1.4
217.04962	1.5
218.11777	1.1
220.21219	0.3
221.04410	4.2
225.01793	0.3
225.08713	1.9
226.07106	0.8
227.03300	1.6
231.06532	0.4
235.14394	3.4
239.03392	0.7
241.04857	0.4
243.02869	2.8
245.04393	4.5
248.12668	0.4
249.15959	2.7
253.01227	0.4
253.04877	0.7
257.04443	3.4
258.04681	0.3
265.04913	1.0
265.07797	0.3
269.04419	4.6
270.04208	0.4
271.02325	12.5
271.05350	0.6
272.02597	0.5
273.04001	0.6
275.05533	0.7
277.04904	0.6
279.02859	1.6
281.07959	0.4
283.05991	0.3
285.03839	2.1
287.05432	1.5
289.03391	38.9
290.03790	1.3
290.15851	0.3
293.04486	0.6
295.02338	1.4
295.05688	0.5
297.03885	2.6
309.03900	0.3
312.05035	0.9
313.03363	27.2
314.03757	0.8
317.08008	0.3
319.11484	0.3
321.03973	3.3
325.03452	0.5
327.06882	0.3
331.04419	11.0
332.04776	0.4
339.04794	1.7
341.08014	0.4
341.18738	0.3
345.07483	1.3
347.09177	0.7
349.06992	0.7
355.05603	0.5
358.12726	0.4
359.09152	0.7
369.07764	0.7
373.06995	3.7
375.15378	3.1
384.10678	0.6
387.08649	1.7
391.08051	10.4
392.08191	0.6
401.13336	1.5
415.08032	2.8
433.09183	5.1
504.16251	1.7
521.19104	100.0
522.19391	5.8
531.75684	0.3
545.19092	0.8
563.20038	3.7
587.20331	0.6
599.20282	0.9
611.19830	0.3
613.21729	4.3
614.23218	0.4
629.21198	1.2
631.22638	7.6
632.23590	0.3
647.22253	3.6
649.24066	0.4
665.23425	1.7
667.24341	0.6
683.24200	9.3
684.24896	0.6
775.27075	0.4
777.21545	0.3
829.31335	2.2
830.32739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79203	0.2
67.05498	0.4
69.03411	0.5
69.07074	0.3
70.06595	0.2
71.62422	0.2
72.08141	0.2
78.04725	1.1
79.05504	1.0
81.03410	0.5
81.07059	0.9
84.08113	0.2
85.02890	0.7
91.05473	0.7
93.07050	0.7
95.04975	0.5
95.08610	0.3
97.02878	0.6
97.06499	0.2
99.96511	0.2
103.05443	0.6
105.07040	1.9
106.04181	0.5
107.04938	1.7
107.08605	0.5
109.02869	0.4
109.06532	0.3
109.10160	0.3
115.05457	0.4
119.08581	0.3
121.06495	0.6
121.10110	0.3
123.04425	4.1
124.05208	1.4
127.03883	0.7
131.04947	0.3
133.06496	1.8
133.10147	0.2
135.04420	0.2
135.08043	0.2
135.11627	0.3
137.05954	0.7
139.07457	0.2
147.04369	0.7
149.06050	0.9
149.13286	0.2
151.03951	0.9
151.07579	0.3
152.04659	1.1
161.05983	1.1
161.09779	0.2
163.07533	0.4
165.09148	0.2
167.07033	100.0
168.07330	1.2
175.03857	0.2
175.07292	0.2
179.07014	0.6
181.08612	1.4
189.09142	0.2
191.06909	0.2
193.08600	8.5
194.08801	0.3
195.10182	1.3
207.06485	0.4
207.10048	0.2
211.09645	8.7
223.09532	0.2
253.10686	0.4
290.94067	0.2
325.07013	0.3
337.07004	0.2
339.08722	0.5
346.08142	0.2
363.08670	0.2
365.10226	0.2
379.11804	0.5
393.13260	0.5
403.17072	0.2
411.14368	0.6
412.14517	0.3
505.21515	0.2
791.54492	0.2
825.43225	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.6
65.03929	4.1
67.05502	64.5
69.03406	3.9
69.06714	1.8
69.07064	23.5
70.24107	4.2
71.04986	4.7
73.02907	1.6
76.02873	0.8
77.03923	1.1
79.05489	50.9
81.03411	3.4
81.07051	64.5
83.04979	4.3
83.08610	12.7
84.59361	1.0
85.02892	2.8
85.06517	4.0
91.05476	54.0
93.07037	58.0
95.04967	9.3
95.08601	58.0
95.09239	1.5
97.02866	3.6
97.06534	6.5
97.10159	7.4
99.08080	4.0
103.05521	1.5
105.04468	1.9
105.07024	48.7
107.04913	2.9
107.08585	32.7
107.09287	2.2
109.06514	5.4
109.10149	19.1
111.08060	4.2
115.05442	3.0
117.07014	23.8
119.08572	38.6
121.06528	1.8
121.10131	21.6
123.08070	2.7
123.11703	5.3
125.09612	3.8
127.03887	1.2
127.07500	1.0
128.06197	4.2
129.05493	1.3
129.07013	13.1
130.07808	2.6
131.08562	29.1
133.06474	1.4
133.10126	25.5
134.39301	0.8
135.08051	2.9
135.11676	12.4
137.09618	2.8
137.13306	1.1
139.11206	1.3
141.06970	3.5
142.07765	2.7
143.08565	11.5
144.09299	1.4
145.06581	1.2
145.10112	34.3
147.08063	2.0
147.11681	17.1
149.00769	1.0
149.09637	5.4
149.13258	7.0
151.11269	1.6
155.08542	4.5
157.10127	14.7
159.11682	33.1
161.09576	3.8
161.13252	11.7
163.11166	4.7
163.14845	2.6
163.82042	1.0
167.08661	1.7
169.10123	8.7
171.11694	9.0
173.13245	14.6
175.11264	2.2
175.14754	5.4
177.12695	2.2
181.10120	2.2
183.11658	8.4
185.13240	21.5
187.11165	1.1
187.14821	4.5
195.11653	1.9
197.13309	5.5
199.14783	4.2
201.12703	1.8
201.16339	2.8
203.14366	5.1
205.15819	2.6
209.13245	1.4
211.14879	2.5
213.16373	1.8
215.18025	1.6
217.15851	1.4
219.17473	6.3
227.12738	3.6
229.19545	3.6
233.15422	1.4
233.22701	1.2
237.16481	1.2
239.17967	13.8
241.19560	2.3
243.21039	1.6
255.17401	1.5
257.18994	26.5
259.20624	5.1
261.22055	4.9
275.20047	26.8
285.22202	1.2
291.19516	1.3
293.21130	2.8
313.21637	1.2
331.22675	11.4
333.24197	4.9
335.25781	100.0
336.26154	2.6
349.23694	35.9
350.24200	1.3
351.25253	2.4
489.35809	2.4
517.40167	2.0
529.38605	1.8
555.40277	3.3
569.41705	1.4
591.43793	3.0
609.45050	60.4
610.45166	3.8
627.46069	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	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.1
65.03938	3.3
67.05500	100.0
68.88394	1.6
69.03432	7.0
69.07066	27.7
69.41374	11.0
69.41802	7.8
71.04989	6.5
76.31614	1.8
79.05490	64.1
81.03403	11.0
81.07054	94.3
83.04972	11.0
83.08614	14.9
85.02905	6.7
85.06551	4.5
90.00629	1.7
91.05476	57.4
93.07040	89.1
95.04972	12.6
95.08594	58.0
97.02908	3.8
97.06538	11.6
97.10159	6.9
99.08036	4.1
103.05431	2.6
105.04556	2.8
105.07025	36.5
107.04965	5.3
107.08584	44.3
109.02871	2.2
109.06517	6.3
109.10150	38.1
111.08071	4.6
113.09657	1.9
117.06995	16.9
118.32124	1.7
119.08577	32.2
121.06492	4.4
121.10142	28.4
123.08098	5.6
123.11703	6.2
125.09643	3.8
127.03963	3.6
129.07005	7.2
130.63257	2.1
131.08568	29.3
133.06451	1.9
133.10135	26.0
135.08057	4.6
135.11674	17.2
137.09651	2.6
141.07027	2.1
143.08534	6.5
145.10104	23.5
145.11150	3.0
147.11670	17.8
149.09624	9.4
149.13269	13.6
151.11206	3.1
155.08583	2.6
157.10138	4.2
159.11667	15.6
161.13283	6.9
163.11220	5.2
163.14716	2.3
169.10056	2.7
171.11665	4.6
173.11789	4.8
173.13313	8.6
175.14713	2.7
177.12790	2.1
179.14273	2.1
183.11798	3.3
185.13264	5.5
187.14868	3.5
189.11226	2.1
195.13718	4.5
197.13260	3.5
201.16519	2.6
217.15898	2.0
219.17410	3.1
227.12840	4.6
229.14304	15.9
239.17969	4.4
243.21068	2.5
245.18860	2.0
255.15764	3.3
257.19077	6.9
259.20712	3.2
261.22095	12.1
269.17453	23.9
275.20068	29.3
293.21387	2.3
309.20499	4.7
317.24850	2.9
335.25772	95.9
336.26382	3.6
349.23712	22.2
367.24927	4.4
489.35791	9.1
515.37000	9.8
529.38898	48.1
530.38666	3.1
543.40100	2.9
569.41943	18.7
609.44971	24.7
627.46124	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	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.0
57.88198	2.9
59.34295	3.1
67.05499	53.2
69.03423	7.4
69.07060	31.5
79.05487	42.2
81.03371	3.9
81.07047	51.2
83.04955	5.6
83.08602	9.8
89.57110	3.0
91.05469	27.7
93.07048	33.9
93.64368	2.8
95.04963	12.5
95.08594	28.3
97.02882	10.9
97.06522	4.1
97.10147	12.4
100.09115	2.7
105.07009	22.4
107.04996	3.8
107.08584	20.9
109.06484	4.7
109.10136	16.3
111.08102	3.8
117.07015	8.4
119.08537	16.0
121.10156	17.6
123.08083	4.6
125.09592	7.3
129.07021	4.3
131.08549	10.6
133.10118	12.9
135.11668	9.7
143.08556	6.4
145.10109	9.6
147.08064	5.9
148.86348	3.4
149.13274	4.8
161.09590	3.1
163.14891	3.1
199.37498	3.2
203.14029	3.1
223.13292	18.1
261.22235	7.8
273.18503	13.1
284.81723	3.6
291.16452	6.6
291.19540	86.2
332.86783	3.6
335.25763	89.1
365.23203	49.1
389.82199	3.5
501.98840	3.3
545.38147	3.9
618.52826	3.4
625.44598	100.0
626.45062	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	821.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
57.07075	1.0
59.04977	0.2
61.02931	0.7
65.03920	0.2
67.01850	1.1
67.05500	3.5
67.41697	0.1
69.03078	0.1
69.03429	2.4
69.06719	0.2
69.07067	2.1
70.06557	0.4
71.04990	0.7
72.08160	0.7
72.09499	0.1
73.02890	0.4
76.54702	0.1
77.03901	0.2
78.04700	0.1
79.05498	1.7
81.03410	1.4
81.07053	5.9
83.01347	0.1
83.04987	0.8
83.08630	0.8
84.04504	0.1
84.08138	0.2
85.02900	7.2
85.06539	10.6
86.06057	0.3
86.09702	0.1
87.00813	0.1
87.04481	0.3
91.03933	0.2
91.04874	0.1
91.05468	2.4
93.07041	7.0
94.06594	0.1
94.07336	0.2
95.04975	1.1
95.08601	4.5
96.08913	0.2
97.02890	2.8
97.06523	0.8
97.10159	0.5
99.04445	0.7
99.08070	1.1
101.05977	0.2
103.03928	0.3
103.05437	0.3
105.03411	0.1
105.07018	1.6
107.04945	0.5
107.08591	2.9
109.02878	1.7
109.06493	0.3
109.10148	4.4
111.04427	0.8
111.08089	1.1
111.11681	0.3
113.09624	0.2
115.03930	0.1
115.05476	0.2
115.07545	0.2
115.08683	0.2
117.07005	0.4
119.04943	1.2
119.08563	1.4
120.08112	0.2
121.02884	0.2
121.06499	2.1
121.10130	2.4
123.04446	0.6
123.08062	0.4
123.11708	1.9
124.05239	0.1
125.05981	0.2
125.09634	0.7
127.03910	3.9
127.11208	0.2
129.06989	0.2
131.04906	0.3
131.08542	0.3
133.06480	0.4
133.10103	1.2
134.10492	0.1
135.08018	0.3
135.11693	2.0
137.02336	0.1
137.05971	0.9
137.09659	0.2
137.13248	0.7
138.05475	0.4
138.06543	0.1
139.07538	4.1
139.11185	0.6
143.08618	0.1
143.10629	0.3
145.02800	0.3
145.04948	1.7
145.06230	0.2
145.10109	0.5
147.04407	4.6
147.08047	0.1
147.11673	1.0
148.04764	0.4
148.07578	0.1
149.05977	5.2
149.09615	0.2
149.13258	1.6
150.06439	0.1
151.03893	0.4
151.06381	0.2
151.07530	2.5
151.08659	0.1
151.11104	0.2
151.14809	0.1
153.05409	0.1
153.08978	0.1
153.12738	0.5
155.07028	0.3
157.10144	0.2
157.12236	0.7
159.07993	0.4
159.11667	0.4
161.06003	0.5
161.09647	0.3
161.13237	0.7
163.03893	0.4
163.06107	0.3
163.07515	0.5
163.11131	0.2
163.14845	0.9
165.05438	0.8
165.09123	0.7
165.12828	0.3
166.06255	0.2
167.07028	100.0
168.07393	2.0
169.10007	0.1
171.08070	0.1
171.13788	0.4
173.05963	0.3
173.09593	0.2
173.13225	0.4
175.03851	0.3
175.07552	0.4
175.11136	0.3
175.14789	0.6
177.05449	0.6
177.09151	0.3
177.16382	0.6
179.07034	0.2
179.10641	0.2
181.04930	0.4
181.08591	1.2
183.06564	0.2
185.09584	0.2
187.07491	0.3
187.11136	0.2
189.09088	0.7
189.12741	0.2
189.16405	0.4
191.07018	0.5
191.10693	0.7
191.17926	0.5
193.08575	0.8
193.15860	0.2
195.10173	0.2
201.09055	0.2
201.16324	0.1
203.07060	0.2
203.10669	0.4
203.17944	0.7
205.08623	0.5
205.12193	0.6
207.06551	0.4
207.10143	2.6
209.08083	0.3
209.15317	0.2
211.07587	0.3
211.09590	0.2
211.16875	0.2
213.09128	0.2
215.10579	0.3
215.17940	0.2
217.12187	0.3
217.19492	0.2
218.11794	0.1
221.11514	0.2
221.18991	0.2
229.08592	0.2
229.12085	0.2
233.11736	0.3
235.13248	0.2
236.12823	0.3
245.15179	0.2
245.22626	0.3
247.13362	0.1
250.10899	0.1
255.06636	0.2
261.14728	0.2
263.16467	0.1
263.23758	0.2
271.05920	0.2
271.24240	0.4
275.16455	0.3
275.23590	0.2
277.25165	0.5
285.07532	0.2
287.05408	0.2
289.17755	0.1
289.25214	0.8
293.24658	0.2
295.06125	0.3
295.26318	2.9
301.07135	0.2
301.17987	0.3
303.19449	0.2
307.26382	0.6
309.07465	0.2
311.05029	0.1
313.07108	0.3
313.27356	3.1
315.19537	0.2
319.19043	2.2
324.06317	0.2
325.07040	0.5
326.07397	0.2
333.20673	0.4
335.09042	0.2
337.07095	0.3
339.08463	0.6
345.24615	0.2
351.08502	0.2
353.10257	0.3
359.25888	0.2
363.08435	0.2
363.12296	0.2
371.11157	0.1
376.13837	0.3
377.26846	1.4
378.10718	0.3
379.11896	0.2
379.18338	0.2
381.13147	0.2
385.27438	0.1
387.25128	0.2
391.08035	0.2
393.13312	1.2
394.13806	0.3
407.29245	0.2
409.09009	0.1
411.14401	1.8
412.14841	0.2
425.30545	2.4
429.15414	0.7
431.31525	0.7
443.31552	8.4
444.31842	0.4
461.32608	19.0
462.33032	0.7
479.33646	12.9
480.33997	0.5
497.34692	1.3
552.63354	0.1
573.19952	0.3
641.25201	0.2
659.19403	0.2
680.24176	0.1
821.30786	0.5
822.32324	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	821.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
57.07074	1.9
58.53059	0.1
59.05004	0.2
61.02917	0.3
65.03946	0.4
67.01842	1.1
67.05501	4.1
67.05859	0.2
69.03422	1.7
69.07065	2.0
69.48132	1.0
70.06583	0.7
71.04981	0.4
72.08156	1.6
73.02914	0.2
77.03931	0.2
78.04742	0.1
79.05489	1.2
79.48065	0.1
81.03415	1.1
81.07053	5.0
82.07380	0.2
83.04984	0.6
83.08625	0.7
84.08131	0.3
85.02502	0.1
85.02898	3.9
85.06539	16.3
86.06065	0.9
86.09700	0.2
87.04464	0.2
89.10797	0.1
91.05468	2.2
93.07041	6.4
94.07327	0.2
95.04963	0.9
95.08601	4.3
97.02884	1.6
97.06522	0.5
97.10160	0.5
98.09636	0.2
99.04442	0.7
99.08086	0.9
101.06030	0.2
103.03978	0.2
103.05474	0.3
105.04502	0.1
105.07027	1.5
107.04972	0.5
107.08590	2.8
107.99260	0.1
109.02882	1.2
109.06543	0.3
109.10148	4.9
110.07113	0.1
111.04436	0.3
111.08088	0.8
111.11735	0.3
113.09676	0.1
115.05371	0.2
115.07567	0.2
117.07005	0.4
119.04942	1.0
119.08568	1.4
121.02880	0.3
121.06505	2.2
121.10130	2.1
123.04457	0.5
123.08088	0.3
123.11688	1.6
124.05157	0.2
125.05984	0.2
125.09599	0.8
127.03909	3.1
128.06197	0.1
129.10202	0.2
131.04935	0.3
131.08580	0.3
133.06471	0.3
133.10130	1.2
135.04478	0.2
135.08058	0.5
135.11688	1.8
136.07587	0.3
137.05957	0.8
137.13216	0.6
138.05492	0.2
139.07538	3.9
139.08612	0.2
139.11151	0.3
143.08585	0.2
143.10718	0.2
145.02835	0.2
145.04968	0.5
145.10133	0.5
147.04402	3.5
147.08102	0.2
147.11707	0.9
148.04738	0.2
149.02339	0.1
149.05971	5.2
149.09639	0.1
149.13249	1.5
151.03891	0.3
151.07518	2.6
151.14839	0.2
152.07045	0.2
153.05424	0.2
153.12749	0.4
155.06958	0.2
157.10207	0.2
157.12227	0.6
159.08057	0.2
159.11679	0.4
160.08725	0.2
161.06021	0.3
161.09732	0.2
161.13263	0.5
163.03915	0.3
163.07512	0.3
163.11197	0.2
163.14833	0.8
165.05496	0.5
165.09099	0.6
167.07028	100.0
168.07382	1.5
169.12286	0.1
173.09607	0.2
173.13245	0.3
175.03864	0.3
175.07565	0.5
175.14825	0.5
177.05476	0.5
177.09155	0.4
177.16422	0.6
179.06982	0.3
181.05014	0.3
181.08574	1.2
183.06509	0.2
187.11221	0.2
189.05469	0.2
189.08995	0.6
189.16397	0.5
191.07024	0.4
191.10699	0.6
191.17897	0.2
193.08588	0.7
199.11221	0.1
203.07138	0.2
203.10730	0.2
203.17926	0.8
205.08661	0.6
205.12202	0.6
207.06558	0.4
207.10143	2.2
209.08163	0.2
211.07635	0.2
211.09627	0.3
215.10692	0.3
215.18030	0.2
217.12291	0.2
217.19623	0.2
221.19032	0.4
229.19569	0.1
231.06599	0.1
233.11768	0.2
235.13300	0.2
245.07886	0.1
249.14842	0.2
259.24277	0.2
261.14890	0.1
270.05243	0.2
271.05966	0.2
271.24356	0.2
275.16168	0.2
277.25311	0.5
285.07523	0.8
289.25323	0.5
295.06009	0.2
295.26257	3.1
297.07437	0.2
299.05359	0.1
307.05945	0.2
307.26376	0.4
313.07114	0.4
313.27350	4.4
314.27859	0.3
319.19064	0.9
323.05820	0.1
324.06262	0.2
325.07132	0.8
326.07654	0.2
333.11459	0.2
333.20724	0.4
337.07034	0.3
339.08658	0.4
343.22729	0.2
345.24252	0.2
346.08365	0.3
351.08560	0.2
353.10358	0.2
359.25775	0.3
361.10724	0.7
361.17645	0.6
364.09323	0.3
367.11758	0.2
377.26889	2.5
378.27182	0.1
379.11761	1.9
379.18640	0.3
380.12387	0.2
382.91522	0.1
383.15186	0.2
393.13516	0.1
397.12952	0.3
407.29446	0.2
411.14749	0.3
425.30521	1.7
429.15588	0.5
431.31390	0.3
443.31570	6.9
444.31879	0.3
461.32614	20.1
462.32803	1.0
479.20724	0.7
479.33664	16.6
480.34161	0.8
497.22220	0.2
497.34720	1.6
541.17059	0.5
554.28540	0.2
592.20178	0.3
641.26202	0.7
821.30383	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	821.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	17.2
57.07071	1.2
59.04998	1.2
61.02922	69.6
65.03940	1.5
67.05501	27.9
69.03425	26.8
69.07066	6.7
70.06584	1.3
70.22932	2.0
71.01347	2.8
71.04987	5.1
71.08605	0.5
73.02914	22.2
75.04483	2.0
77.03933	0.6
79.05486	17.4
80.05843	0.5
81.03411	20.5
81.07052	27.1
83.01336	1.1
83.04987	4.9
83.08606	4.2
85.02899	100.0
85.06525	1.1
87.04475	3.1
88.07637	1.3
89.06012	0.7
91.03949	56.5
91.05469	10.9
93.07037	19.5
94.85312	0.5
95.04973	4.1
95.08601	23.8
97.02887	72.1
97.06534	1.9
97.10138	1.8
98.03251	0.6
99.04450	13.1
99.08115	0.8
101.02376	4.5
102.09194	1.0
103.03941	9.2
105.06362	0.9
105.07021	9.8
107.04976	0.9
107.08588	12.4
109.02874	12.9
109.06502	1.9
109.10155	11.2
111.04424	4.0
111.08040	1.0
111.11716	0.6
115.03906	6.8
117.05495	2.9
117.07006	4.9
119.08574	9.0
121.06510	1.0
121.10135	12.1
123.04401	1.2
123.08059	1.4
123.11704	5.5
125.09599	0.7
127.03906	38.4
128.06161	0.9
129.05482	5.0
129.06990	1.3
131.08554	7.6
133.06432	0.5
133.10118	7.1
135.04448	0.6
135.08034	0.8
135.11696	7.9
137.02396	0.4
137.05954	1.3
137.09557	1.0
137.13222	1.7
139.03917	1.1
139.11115	0.7
141.05397	0.7
141.06958	0.9
143.07007	0.5
143.08551	2.4
144.09235	0.5
145.04953	31.7
145.09181	0.6
145.10117	5.7
146.05400	0.4
147.04486	0.6
147.08012	0.6
147.11676	5.9
149.02327	3.5
149.09618	1.3
149.13231	5.0
151.11090	0.7
151.14771	0.7
153.05345	0.5
153.12762	0.7
155.06999	0.5
155.08517	0.6
157.10080	1.9
158.75639	0.5
159.06506	3.2
159.07835	0.8
159.11681	5.5
161.09644	0.7
161.13240	4.3
163.06007	21.6
163.11154	0.8
163.14775	2.9
165.12666	0.6
166.85371	0.5
168.29117	0.4
169.05103	0.5
169.10088	1.8
171.06464	1.8
171.07805	0.6
171.11607	1.7
173.13249	5.0
175.14799	1.9
177.12654	1.0
177.16364	1.6
179.14339	0.7
183.06509	9.1
183.11714	1.2
185.09572	0.6
185.13200	2.0
187.11165	0.6
187.14835	3.1
191.14369	0.5
193.04929	2.3
193.09892	0.5
193.15831	0.6
195.11720	1.0
197.13164	0.8
199.05966	0.5
199.14784	1.2
201.07579	6.8
201.12701	0.7
201.16248	1.1
211.11226	0.7
211.14857	0.6
213.12752	1.1
213.16322	1.0
217.15909	0.6
219.08624	1.2
219.17439	0.6
225.12636	0.7
228.23224	3.4
229.09946	0.5
233.22705	0.6
237.07428	0.7
241.06990	0.8
241.19489	1.2
243.21051	5.4
247.12283	0.6
259.20490	2.7
261.22125	16.7
263.23709	0.6
271.08136	0.7
273.22003	1.6
277.21713	2.2
279.23016	1.2
285.21985	1.8
289.21786	0.6
291.22992	0.6
297.22073	0.5
301.21375	1.4
303.23218	3.4
309.21967	0.8
313.21506	0.8
315.23029	2.0
317.24597	1.8
319.22665	0.7
323.23456	1.1
327.23218	2.4
333.24026	1.5
335.25775	52.4
336.25900	1.2
341.24631	1.2
345.24084	1.7
351.22852	3.0
353.26715	1.9
363.25363	3.5
365.26822	0.6
369.24237	5.1
375.24957	0.8
377.26965	4.1
387.25351	2.5
389.26602	0.8
401.26764	1.0
405.26068	1.7
411.14172	1.1
415.28024	0.6
419.27512	2.1
423.27115	1.1
425.26572	0.7
431.27472	1.3
443.27878	7.5
461.28888	5.5
479.30035	12.0
480.30038	0.7
497.30917	5.0
499.13086	0.5
751.16443	0.6
821.40564	0.7
822.36829	4.0
826.79846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.6
59.04990	0.2
61.02912	0.5
62.12396	0.1
67.05494	0.4
69.03067	0.2
69.03422	3.9
69.07043	0.4
70.06583	0.4
71.01315	0.1
71.04978	1.4
71.18179	0.4
72.08147	0.3
73.02541	0.2
73.02910	2.3
73.09367	0.1
79.05472	0.4
81.03410	6.2
81.07068	0.7
83.04971	2.1
83.08601	1.2
84.08138	0.2
85.02896	10.7
85.06516	0.2
87.04453	0.6
91.03946	0.2
91.05457	0.5
93.07018	0.6
95.04963	3.0
95.08575	0.3
97.02882	6.0
97.06529	0.4
97.10150	0.4
99.04445	11.0
101.02413	0.2
103.03930	6.4
105.07023	0.5
107.08590	1.0
109.02868	12.4
109.06503	0.8
109.10135	1.1
110.26957	0.1
111.04436	0.4
111.08108	0.3
111.27470	0.1
115.03918	0.7
117.07005	0.2
119.04932	0.4
119.08551	0.4
121.02847	0.2
121.06512	0.2
121.10132	0.6
123.04453	0.5
123.08060	0.3
123.11704	0.5
125.02357	0.3
125.05917	0.1
125.09637	0.4
127.03902	100.0
128.04218	0.6
131.08539	0.4
133.10110	1.3
135.04381	0.2
135.08022	0.7
137.02301	0.2
138.05519	0.2
139.03850	0.2
143.08548	0.1
145.04942	7.9
147.04393	0.5
147.11668	0.2
149.13251	0.5
151.03880	0.4
151.11171	1.9
153.01804	0.2
153.05453	0.2
153.09079	0.6
157.04993	0.5
158.10922	0.3
161.06003	0.3
163.03925	0.2
163.06006	2.0
165.05486	0.2
167.07040	0.3
167.14291	2.2
167.15590	0.2
168.06604	0.2
169.04973	1.3
173.13271	0.8
175.03802	0.2
177.05487	0.2
187.06003	3.4
187.07635	0.2
189.05437	0.3
191.03333	0.2
191.14284	1.4
193.04950	0.5
199.05963	0.4
205.05202	0.2
205.06966	1.4
207.06409	0.4
209.08029	0.6
209.15335	11.5
211.06082	0.3
215.05443	0.2
217.04968	0.3
223.05975	0.2
229.07033	0.8
235.05937	1.1
241.07036	0.2
243.29550	0.1
245.10194	0.2
247.08051	0.4
253.07068	2.8
271.08093	6.2
272.20520	0.1
289.09143	3.8
295.08063	0.2
307.10214	0.5
313.09247	0.4
331.10138	0.4
349.11279	0.3
361.08871	0.2
374.14542	0.1
379.10187	0.6
389.72763	0.1
397.11261	1.8
415.12338	3.9
433.13431	2.2
451.14352	0.6
475.14529	0.2
541.15448	0.6
577.17725	1.0
637.37500	0.2
821.30481	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	821.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.6
57.95893	0.1
61.02913	0.4
67.05489	0.6
69.03419	4.4
69.07048	0.2
69.49772	1.5
70.06570	0.4
71.04981	1.4
72.08153	0.4
73.02907	1.9
79.05466	0.4
81.03410	5.8
81.06612	0.2
81.07038	0.8
83.04974	1.8
83.08603	1.1
83.50440	0.1
84.08146	0.2
85.02896	10.1
85.06558	0.2
87.04463	0.5
91.05452	0.5
93.07030	0.6
95.04965	2.6
95.08586	0.4
97.02880	6.9
97.06532	0.3
99.04443	10.2
103.03934	5.3
103.04628	0.2
103.05460	0.2
105.07002	0.6
107.04943	0.4
107.08591	1.2
109.02867	13.3
109.06505	0.5
109.10138	1.1
110.02434	0.2
111.04433	0.5
111.08064	0.4
115.03931	0.6
119.04942	0.3
119.08571	0.6
119.82768	0.2
121.10097	1.0
121.60649	0.2
123.04408	0.4
123.11691	0.4
125.02290	0.4
125.09610	0.4
127.03902	100.0
128.04239	0.5
131.08586	0.3
133.10124	1.3
135.08054	0.3
138.05505	0.4
139.03903	0.3
145.04944	7.6
145.10083	0.2
147.04404	0.5
147.11650	0.4
149.05957	0.3
149.13248	0.4
151.03903	0.4
151.11151	1.5
153.01907	0.2
153.09108	0.6
157.04913	0.3
158.10812	0.3
161.05917	0.2
163.03899	0.2
163.06007	1.6
163.07448	0.3
165.05441	0.3
167.07063	0.5
167.14305	2.4
169.04921	1.0
173.04391	0.2
173.13234	0.9
177.05484	0.2
181.04897	0.4
187.06003	3.4
189.05458	0.3
191.14328	1.1
193.04878	0.2
199.06021	0.4
205.05081	0.4
205.07076	1.5
207.06459	0.4
209.08044	0.7
209.15343	11.1
211.06038	0.3
217.04968	0.3
219.18053	0.2
229.07056	0.7
235.06009	0.8
237.02795	0.2
245.10213	0.3
247.08154	0.5
253.07042	2.7
270.93689	0.2
271.08102	6.3
289.09140	3.6
290.25797	0.2
307.10306	0.5
313.09235	0.3
331.09933	0.4
346.40710	0.2
349.11411	0.4
361.08945	0.2
373.42459	0.2
379.10251	0.5
397.11273	1.9
413.12036	0.2
415.12347	3.5
433.13364	2.1
451.14325	0.7
541.15228	0.5
577.17395	1.0
610.35931	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	820.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40639	0.3
61.49915	0.3
63.16835	0.3
70.04337	1.1
70.04748	0.5
73.06561	0.9
79.05484	4.2
87.04469	4.7
89.06027	29.1
90.95408	0.3
91.05486	2.7
93.07034	0.9
95.04975	2.7
95.20964	0.3
98.20827	0.6
103.05457	3.8
105.07024	100.0
106.07359	1.7
107.07052	1.7
109.10165	0.3
110.23241	0.3
117.06993	0.5
117.09147	0.6
119.04916	0.3
119.08546	0.5
121.06496	5.2
129.07010	1.3
130.08606	1.5
131.07042	2.1
131.08553	4.7
133.08595	22.1
135.08115	0.4
145.06522	0.3
147.08043	2.3
149.09604	0.7
160.10210	0.3
165.09123	0.9
173.09645	0.4
174.69530	0.4
175.09654	1.5
177.11211	9.2
179.08565	0.7
209.13387	0.4
211.13199	0.4
219.12421	0.5
221.13795	1.8
223.11118	0.7
225.12727	5.2
226.13045	0.4
239.14848	0.8
249.12936	0.4
251.14291	7.2
253.16022	1.8
269.15363	3.0
271.15454	0.4
281.72290	0.3
283.17542	1.1
295.16797	0.4
306.89816	0.3
309.19424	0.4
311.16357	0.4
313.18018	1.4
327.17068	1.8
329.18985	6.5
355.20724	0.6
357.20544	0.5
359.20721	0.3
373.21631	4.8
417.24048	0.7
463.27307	0.6
477.27768	2.7
478.28098	0.4
491.28580	0.8
507.29401	0.9
551.32129	0.7
595.34705	5.2
699.40558	2.1
820.48291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
61.02917	0.3
67.01856	0.2
67.05502	0.3
69.03422	3.2
70.06577	0.4
70.80095	0.2
71.01353	0.2
71.04982	0.9
71.62228	0.2
72.08136	0.4
73.02916	0.7
79.05476	0.3
81.03412	3.5
81.07063	0.3
83.01315	0.2
83.04955	0.7
84.08136	0.4
85.02901	6.5
87.04451	0.5
91.05463	0.9
93.07024	0.6
95.04952	0.6
95.08589	0.3
97.02882	35.7
97.06464	0.2
98.03206	0.3
99.04449	5.4
99.05096	0.3
101.06009	0.2
103.03934	3.0
103.05481	0.2
105.07010	1.0
107.04975	0.3
107.08591	0.4
109.02870	8.0
109.06477	0.3
111.04431	0.7
115.03923	6.4
119.04930	0.3
119.08532	0.3
121.02836	0.4
121.06480	0.6
121.10107	0.2
123.04404	0.6
123.08083	0.4
124.03973	0.3
125.02316	0.3
125.05995	0.4
125.09647	0.3
127.03905	100.0
128.04245	1.3
131.04887	0.3
133.06461	0.4
135.04381	0.3
137.02290	0.2
137.05960	0.7
137.09579	0.3
138.05502	0.2
139.03909	1.1
145.04938	2.5
147.04372	1.1
149.05989	0.7
151.03915	0.5
151.07518	0.8
152.07066	0.2
153.01819	0.2
153.05467	0.2
157.04973	2.3
159.04424	0.3
161.05966	1.3
163.03874	0.4
163.06026	0.3
165.05447	0.2
165.85002	0.1
167.03665	0.1
167.07034	1.1
167.10674	1.2
169.04953	0.4
173.04500	0.2
175.03770	0.2
175.06020	1.7
175.07430	0.2
177.05458	1.2
179.07054	0.7
180.10202	0.3
181.04939	1.2
181.10515	0.2
187.06015	1.0
187.07436	0.2
193.04929	1.4
197.08096	1.2
198.11203	0.3
199.05981	1.5
205.04980	3.3
205.07014	0.6
207.06549	0.3
223.06001	7.2
224.06413	0.3
229.07100	0.6
235.05922	0.2
241.07037	13.3
253.07048	0.9
259.08112	4.2
270.05151	1.0
271.05606	0.3
271.08167	1.7
285.07556	4.6
286.07855	0.4
289.09186	1.0
319.10135	0.3
331.76480	0.2
337.11148	0.3
349.09460	0.2
367.10281	1.6
373.11145	1.8
385.11292	1.8
397.11172	0.3
403.12384	3.0
415.12253	0.4
421.13437	3.8
493.16510	0.2
529.15778	0.8
547.16425	0.7
656.24042	0.2
817.32031	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	820.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69853	0.7
70.94804	0.6
70.95123	1.5
73.06554	0.8
79.05483	6.0
81.07092	0.8
83.99983	0.6
87.04465	5.2
89.06024	31.2
91.05486	3.1
93.07027	1.5
95.04950	2.5
100.06502	0.7
103.05467	4.2
105.07021	100.0
106.07379	1.0
106.83540	0.6
107.07068	1.6
109.45311	0.7
114.02464	0.7
114.46579	0.7
119.08546	1.0
121.06493	5.4
127.79543	0.7
129.07011	0.8
130.08638	1.6
131.07025	2.4
131.08545	4.8
133.08595	19.4
147.08031	2.7
149.09639	1.8
165.09042	1.1
175.09689	1.4
177.11198	10.3
184.07341	0.6
221.13890	1.6
223.11182	1.5
225.12683	6.0
239.14919	0.7
251.14293	9.0
253.15909	2.7
267.13931	0.9
269.15295	1.8
283.17661	0.8
284.11874	0.6
313.17966	2.4
327.17465	1.8
329.18997	6.1
336.55713	0.8
357.20294	0.8
373.21582	2.6
378.65778	0.7
477.27994	2.8
595.34778	6.3
696.12189	0.7
699.40778	2.5
820.49420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.04976	0.2
63.29468	0.1
68.93297	0.1
69.03422	3.5
70.16213	0.4
70.16624	0.3
71.01355	0.2
71.04990	0.7
73.02909	0.9
79.05496	0.4
81.03411	4.3
81.07052	0.3
83.01338	0.4
83.04961	0.9
85.02898	5.5
87.04476	0.4
88.89228	0.1
91.05460	0.9
91.50101	0.1
92.92569	0.1
93.07040	0.6
95.04963	0.5
95.08581	0.2
97.02883	43.6
98.03213	0.5
98.09713	0.1
99.04443	7.6
101.02389	0.2
103.03938	2.6
103.05463	0.3
104.77233	0.1
105.07024	0.8
105.96684	0.1
107.04969	0.2
107.08588	0.1
109.02870	7.8
109.06550	0.1
109.25722	0.1
111.04442	0.7
115.03918	7.0
119.04927	0.3
121.02886	0.2
121.06522	0.9
121.10174	0.2
123.04445	0.5
123.08045	0.5
124.11360	0.1
125.02338	0.4
125.05973	0.2
125.09621	0.2
127.03905	100.0
128.04254	0.8
131.04919	0.4
133.04971	0.1
133.06480	0.4
135.04414	0.5
135.08115	0.1
137.02324	0.2
137.05939	0.4
137.09602	0.2
139.03886	1.3
141.05492	0.1
145.04944	3.1
147.04410	0.9
149.05965	0.9
151.03891	0.3
151.07510	1.3
153.05325	0.2
155.07095	0.1
157.04955	2.3
159.04404	0.2
161.05974	1.3
163.03905	0.4
163.06036	0.3
165.05461	0.5
167.07057	0.4
167.10635	1.5
169.04942	0.7
173.04431	0.3
173.05820	0.1
175.06021	0.6
177.05450	2.3
179.07016	1.0
181.04948	1.3
187.04237	0.2
187.05997	1.4
193.04919	1.5
193.06445	0.1
195.06506	0.5
197.08078	1.5
199.06006	1.7
205.04973	4.1
205.07053	1.1
206.35664	0.1
209.08005	0.3
211.06012	0.3
217.07005	0.2
223.05995	9.2
224.06351	0.2
229.07060	0.6
235.06004	0.3
241.07048	12.1
242.07352	0.2
253.07008	1.0
257.06909	0.2
259.08121	5.5
271.08118	2.4
277.09201	0.2
283.08160	0.2
289.09116	0.9
301.09280	0.3
319.10202	0.2
331.07870	0.1
337.11249	0.3
347.82465	0.1
349.09265	0.7
367.10214	2.0
373.11246	0.3
385.11230	2.5
397.11325	0.2
403.12347	3.1
415.12231	0.4
421.13364	5.3
422.13614	0.2
441.25665	0.1
467.15625	0.1
529.15503	0.9
547.16113	0.8
552.98907	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	815.322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.68617	0.3
60.04530	0.9
61.02901	0.2
65.03925	0.6
67.05492	0.4
68.05030	0.3
69.03420	1.6
69.07062	0.3
70.06589	12.0
71.04990	5.4
71.06930	0.5
71.17416	0.3
71.17793	0.7
72.04513	4.1
72.08150	61.1
73.02918	0.4
73.08487	0.6
73.21448	0.2
75.04472	0.5
81.03428	0.7
83.04976	1.4
84.08153	2.7
85.02900	8.3
86.06069	0.3
86.09691	0.6
89.10786	36.4
91.05466	4.0
93.07056	0.2
95.04964	1.8
96.04485	0.3
96.08132	0.6
97.02882	2.2
98.06050	26.0
99.04459	0.6
105.07027	0.3
107.04943	2.2
108.08057	0.3
109.02878	0.8
110.00556	0.3
110.02406	1.8
110.06046	1.1
111.04424	0.8
112.07550	0.3
113.06011	0.4
113.10769	0.7
114.09161	24.3
115.08689	15.7
119.04935	12.5
120.05264	0.3
121.02881	0.8
121.06532	0.7
122.06017	7.4
122.06869	0.5
127.03905	2.9
127.08697	1.2
128.04205	0.5
129.05476	1.1
129.10248	0.6
131.11772	1.8
133.06487	0.4
136.07607	0.3
137.05971	0.4
138.09181	0.3
140.07065	0.4
145.02890	0.3
145.04922	0.3
147.04398	100.0
148.04733	1.5
149.06062	0.4
150.09120	0.6
151.03900	0.3
151.87119	0.2
152.07022	1.3
153.01822	2.1
153.02907	0.3
153.07434	0.6
157.09743	1.3
161.05997	0.6
162.09085	0.3
164.07085	0.4
164.10695	2.9
167.07043	1.2
167.11815	0.5
168.56032	0.2
169.09697	0.7
171.02983	0.6
171.85378	0.3
175.14781	0.2
176.10698	14.0
177.05508	0.4
180.10239	0.5
181.09729	0.4
181.13354	2.9
182.11751	3.4
183.11331	0.4
193.09763	0.4
193.13353	0.6
195.02879	0.5
197.00800	1.1
197.02499	0.3
197.12857	0.5
198.11259	1.1
199.14386	4.7
205.01305	2.7
207.06503	0.4
207.11320	1.9
215.03354	0.3
215.13905	1.3
216.10214	2.5
218.11765	12.1
223.02339	0.6
225.12292	1.4
235.14397	78.7
236.14812	1.1
241.11862	0.5
243.13390	0.7
257.04404	4.3
260.12930	0.4
273.07562	3.1
275.05615	0.3
277.15393	1.9
285.07587	0.3
299.05469	1.4
301.15341	1.3
307.06128	0.3
325.07092	0.5
327.17023	4.6
343.16620	0.4
345.18063	11.2
348.69925	0.3
361.17422	2.8
377.10303	1.8
382.18649	0.4
399.19162	0.3
419.11246	1.3
489.20175	2.1
490.19815	0.4
491.20135	0.3
507.21255	29.8
508.21555	0.7
549.22327	1.6
585.22437	0.4
599.24048	2.1
617.24835	4.9
633.23877	1.1
635.25830	0.4
651.25165	1.0
653.26868	0.5
669.26471	22.1
670.26837	0.5
689.27655	0.8
711.27582	0.6
761.28516	0.8
779.29987	0.3
797.30682	0.3
815.31183	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	813.4897
Annotation	Glabrin C
Peak:m/z	Relative Intensity
59.49122	5.2
60.05219	4.6
70.03363	14.0
70.03779	10.7
78.79314	4.3
79.23250	4.6
87.52142	4.3
98.20840	5.3
102.18187	4.8
141.36954	4.1
147.34134	4.2
154.92308	4.1
282.48434	5.8
309.64471	5.4
621.19525	5.0
813.49066	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	813.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.6
60.78840	0.3
63.02379	0.3
65.03926	0.6
67.01845	0.4
67.05509	0.4
68.99784	0.8
69.03429	1.8
70.06586	4.5
71.01332	0.4
71.04985	8.2
71.29196	0.7
72.08149	54.0
73.02911	0.9
73.06551	0.7
73.08485	0.4
75.04472	0.8
81.03410	0.8
83.04967	1.3
84.08131	1.2
85.02897	15.3
86.09708	0.5
87.04436	0.4
89.10785	9.2
91.05477	2.4
95.04966	0.8
97.02880	5.4
98.06049	2.9
99.04430	0.4
107.04938	3.1
109.02874	1.1
110.02400	2.3
111.00809	0.6
111.04419	1.4
114.09169	1.1
115.08675	1.5
117.05476	0.4
119.04939	7.0
121.02855	7.1
123.04431	0.5
127.03909	2.8
129.05461	2.4
131.04913	0.7
135.04494	0.4
138.05504	0.4
140.07010	0.3
145.04977	0.5
145.06441	0.5
146.05988	0.7
147.04395	51.6
148.04738	0.8
151.03891	0.5
151.08699	0.6
152.07048	1.7
153.01813	35.7
153.07011	0.6
155.04935	0.4
155.08582	0.6
157.06477	0.3
161.05908	0.3
163.03917	0.9
164.07065	0.4
164.10727	1.2
165.01808	0.7
165.06990	1.8
167.07071	0.7
169.09718	0.7
170.08081	0.3
171.02899	0.8
175.03909	0.5
176.10686	0.8
177.05470	0.7
178.04999	0.3
179.03372	1.8
180.10155	0.3
181.06383	1.5
182.11777	0.4
183.02907	0.4
183.04378	0.4
183.08022	3.9
187.03833	0.5
190.05029	0.3
191.03366	3.0
191.08530	0.8
194.07243	0.6
195.02876	2.1
198.11354	0.3
199.07526	20.1
200.12753	0.3
203.03427	0.4
205.04897	0.3
206.04556	0.5
207.02904	0.9
207.06363	0.5
207.08138	0.7
209.09676	0.6
211.07520	11.1
217.13342	11.8
218.04497	3.7
218.07277	0.6
218.11754	11.7
218.13498	0.4
219.02904	1.3
219.08028	1.9
219.11955	0.4
221.05922	0.3
223.07518	3.8
229.04863	0.4
231.08189	0.3
233.09564	0.4
235.07568	2.6
235.14384	11.2
236.08110	0.4
237.09081	4.5
239.07149	0.5
241.04938	0.6
247.07541	4.6
248.08293	1.2
249.09216	0.4
251.07167	0.4
257.04504	0.5
260.08527	0.4
260.11508	0.7
261.03857	0.5
261.08981	1.6
262.06299	0.3
262.10831	0.3
263.07001	8.0
264.10193	0.9
265.08548	7.2
267.06570	1.0
268.09531	0.3
269.07620	0.3
271.05988	14.1
277.05005	0.4
277.08408	0.9
278.10297	1.1
279.06732	0.6
279.10336	0.5
280.09637	2.1
281.04663	0.7
282.05310	2.5
283.06158	1.0
289.08719	0.3
290.10226	3.9
291.06485	5.5
292.09637	1.6
295.05975	14.2
302.11893	0.3
304.09622	0.5
305.08005	4.4
306.11221	0.5
309.07474	2.6
311.05441	1.0
316.13571	0.4
320.09131	0.7
322.07343	0.4
323.05530	3.1
323.09137	1.1
327.09683	0.5
333.07520	2.3
334.14352	2.0
335.09048	0.3
336.15897	0.9
347.09189	0.5
351.16855	0.6
353.18582	0.4
361.10748	0.7
361.15338	0.5
362.13818	2.8
371.09036	1.7
373.10791	0.5
375.08606	0.5
379.16504	6.0
389.10254	2.6
399.08551	1.4
399.19199	1.3
399.23828	0.4
416.11362	2.6
417.09616	5.6
418.13037	0.6
469.17703	0.5
470.16272	0.4
487.18527	4.8
488.17020	8.1
505.19650	100.0
506.19940	2.7
547.20703	1.1
561.24396	0.9
583.21118	0.4
615.23199	0.3
631.22803	0.9
649.23828	1.1
667.24963	8.6
668.25037	0.6
709.26031	0.5
741.27759	0.3
759.27502	1.6
777.28265	1.0
795.29504	0.6
813.30658	22.6
814.30981	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
58.06591	0.4
61.02941	0.3
65.03932	1.2
69.03108	0.3
69.03430	2.8
69.45333	1.3
69.45761	1.1
70.06573	0.9
71.04990	1.5
72.08154	9.5
73.02917	1.5
73.06542	0.8
79.05482	0.3
79.83195	0.3
81.02968	0.5
81.03416	5.5
81.07025	0.3
83.04991	1.3
84.08144	2.5
85.02418	0.4
85.02904	5.7
85.16492	0.2
86.09695	0.3
87.04439	0.8
90.09196	2.7
91.05473	7.4
95.04954	0.6
97.02889	5.5
97.06535	0.4
97.57162	0.3
98.06013	0.6
98.09702	0.3
99.04453	6.1
101.06001	0.5
103.03966	1.7
105.07014	0.3
107.04968	1.4
108.35567	0.2
109.02875	13.0
109.06532	0.2
110.03644	0.3
110.06017	0.3
111.04468	0.3
114.09155	0.2
115.03938	0.5
116.07095	0.4
119.04939	18.8
121.02873	2.9
121.06488	0.6
123.04416	0.6
125.02333	0.4
127.03909	31.3
128.04262	0.5
128.10686	0.9
131.04903	0.5
133.06465	0.4
135.04391	0.5
136.07585	0.3
137.05855	0.3
138.05438	0.7
139.03835	0.2
141.06918	0.3
145.04962	3.5
146.11740	0.3
147.04401	100.0
148.04715	1.4
149.02344	0.5
149.33067	0.3
153.01791	0.5
161.05966	0.3
162.09088	0.5
163.03983	0.3
163.05962	0.4
163.07581	0.2
165.05595	0.3
167.07048	0.5
169.04947	0.8
169.06340	0.3
173.06007	0.4
175.03949	0.3
180.10162	1.0
185.05977	0.4
187.06042	1.0
187.07480	0.3
189.05270	0.3
191.03354	0.4
193.04893	0.3
198.11362	0.5
199.76123	0.2
205.07010	0.4
209.08128	0.3
211.07590	1.3
217.04956	0.3
218.11746	3.7
227.06985	0.5
229.08612	3.9
231.06682	0.4
235.06039	0.6
236.12801	22.3
237.13229	0.3
247.09695	0.4
253.06967	1.6
255.06541	1.0
271.08087	3.4
273.07623	0.6
289.09036	1.3
290.16031	0.4
291.08713	0.3
313.09351	0.3
319.09314	0.3
324.14536	0.3
326.13739	0.4
342.15594	0.3
344.14923	0.8
360.16580	0.4
362.15903	0.6
373.12946	0.4
379.10388	0.5
391.13705	1.1
397.11349	0.5
398.18103	0.3
415.12238	1.0
435.12756	0.6
453.13828	0.4
462.21161	0.3
468.19046	0.3
470.17892	0.7
480.22220	2.5
482.20297	0.6
486.20013	0.6
488.18573	0.6
504.20697	0.7
506.20081	1.5
517.17096	0.9
524.21344	1.5
540.19489	0.3
542.22382	3.4
579.17230	0.3
584.23047	1.4
597.17761	0.3
606.25293	0.6
614.22253	1.1
632.23285	3.9
650.24445	10.6
668.25171	0.9
686.26282	1.5
704.27307	0.4
812.33588	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	812.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.2
64.73957	0.1
65.03913	0.8
67.01854	0.1
67.05500	0.5
68.04993	0.2
69.03426	3.2
69.03800	0.2
69.07074	0.3
69.82758	0.1
70.06591	0.8
71.05002	0.7
71.62553	0.2
72.08160	0.8
73.02909	0.2
79.05492	0.6
81.03412	2.7
81.07053	0.6
83.04977	1.1
83.08598	0.2
84.04488	0.7
84.08160	0.3
85.02900	1.6
85.06558	0.1
86.06062	7.3
86.09683	0.3
87.04464	0.7
89.03911	0.2
91.05474	6.8
93.07043	0.5
95.04963	1.5
95.08606	0.7
97.02888	1.3
97.06538	0.3
98.06049	0.3
98.09683	0.3
99.04443	0.6
103.03925	0.2
103.05446	0.2
104.07092	0.8
105.07033	0.6
107.04943	3.1
107.05607	0.2
107.08591	0.3
108.08136	0.1
109.02859	2.6
109.06572	0.2
109.10137	0.3
110.07174	0.2
111.04433	1.2
111.08077	0.2
112.04021	0.1
112.07571	0.1
114.10336	0.1
114.44050	0.1
115.05435	0.2
116.07114	0.1
117.03371	0.3
117.07018	0.3
118.64366	0.1
119.04934	18.1
119.08517	0.6
120.08109	0.2
121.02859	2.3
121.06489	0.4
121.10139	0.3
122.05966	0.2
123.04417	0.5
123.11706	0.2
124.07613	0.2
125.02396	0.1
125.05898	0.2
127.03915	3.0
128.04282	0.1
128.06209	0.2
128.07091	0.4
129.05484	0.3
129.06969	0.1
129.10162	0.1
130.04996	1.9
131.04941	0.5
131.08606	0.1
132.27618	0.1
133.06485	0.8
133.10123	0.3
135.04420	1.6
135.08124	0.2
135.11693	0.2
136.06157	0.1
137.05963	0.4
137.34409	0.1
139.03975	0.1
140.06996	0.2
141.06952	0.2
142.08627	0.1
143.08517	0.2
145.02875	0.7
145.04944	0.5
145.06471	0.5
145.10104	0.2
146.08115	0.2
147.04396	100.0
148.04750	0.9
149.05972	1.5
149.09590	0.2
150.06281	0.2
151.03874	0.7
151.07524	0.2
153.01816	0.9
153.06989	0.3
155.08507	0.2
157.06471	0.2
159.04401	0.2
159.08057	0.3
159.11719	0.1
161.05959	0.5
163.03943	0.1
163.07518	0.3
164.07059	0.2
165.06969	0.9
167.07034	1.8
168.07343	0.2
169.06454	0.3
170.08241	0.1
171.02919	1.2
171.04300	0.2
171.08035	0.3
173.02432	0.2
173.05969	3.3
173.09586	0.4
173.13171	0.1
175.03914	0.4
175.07547	0.3
175.14883	0.2
177.01912	0.2
177.05493	1.4
179.07005	0.1
181.04953	0.1
181.06532	0.4
181.08508	0.2
183.02864	0.2
183.08054	1.2
185.05956	0.4
185.09607	0.1
187.03918	0.2
187.07542	0.5
187.11183	0.2
188.09094	0.2
189.01781	0.2
189.05540	0.2
189.09106	0.2
191.03447	0.9
191.06929	0.1
193.08586	0.5
194.08189	0.6
195.02835	0.4
197.06004	0.3
199.07484	0.3
201.05484	0.3
201.09033	0.5
203.06931	0.2
205.12190	0.2
206.10213	0.4
207.03082	0.1
207.06532	0.3
209.05919	0.3
211.07532	3.8
211.09377	0.2
212.09258	1.0
213.05569	0.3
213.08994	0.3
215.03389	0.3
215.06987	0.3
218.11688	0.2
219.02922	0.3
227.06949	0.2
229.08577	9.7
230.10280	1.7
231.10262	0.2
232.09665	1.5
236.12816	0.8
237.05447	0.2
237.07520	0.3
239.06998	0.2
241.08490	0.2
243.02893	0.5
247.09605	1.0
248.11285	0.9
249.07640	0.1
250.10724	4.3
255.06496	2.0
255.11066	0.1
257.08112	0.3
261.04013	0.6
271.05908	0.2
273.07596	0.8
275.08994	0.1
285.03784	0.2
285.07431	0.2
291.08548	0.2
292.11713	1.0
295.05814	0.2
297.07614	0.1
308.06375	0.2
313.06961	0.2
321.07343	0.1
322.12772	0.3
325.07037	0.2
334.12830	0.3
337.07214	0.1
339.08496	0.2
340.11292	1.1
341.13214	0.1
352.09720	0.2
352.13812	1.9
358.12729	8.6
363.08585	1.4
365.10379	0.2
367.11737	0.2
376.13815	4.7
381.09464	0.5
392.13248	0.2
394.14792	3.7
399.10764	0.2
463.31122	0.2
468.16528	0.8
484.15848	0.4
486.17328	0.6
502.16843	0.5
504.17850	0.2
520.18341	0.1
526.16541	0.2
544.18091	0.1
650.23468	0.2
811.56238	0.3
812.06085	0.5
812.56580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96122	0.4
57.03427	2.1
59.05001	0.9
59.71375	0.3
61.02922	5.3
63.24778	0.4
65.43721	0.4
67.05499	4.2
69.03420	4.1
69.07069	1.7
71.01355	0.5
71.04993	2.6
71.61669	0.7
73.02913	4.0
79.05485	5.8
80.42973	0.4
81.03411	5.5
81.07053	4.4
83.04975	1.2
83.08623	1.1
85.02897	5.1
85.06550	0.9
87.04461	0.6
91.03946	3.0
91.05481	5.6
93.07033	5.2
95.04942	2.3
95.08602	2.6
97.02885	4.9
97.06541	0.9
97.10180	1.0
99.04439	1.1
101.02361	2.1
103.03938	0.4
105.07018	5.0
107.04961	0.9
107.08605	3.1
109.02885	1.5
109.06514	1.1
109.10149	1.0
111.04433	0.5
111.08080	0.9
113.06004	0.4
117.07012	0.9
119.08585	3.2
121.06500	0.6
121.10126	2.9
123.04457	1.3
123.08096	0.8
123.11708	0.6
127.03918	2.0
129.07022	1.6
131.08537	3.0
133.10123	2.6
133.11806	0.4
135.11723	0.5
143.08548	0.7
145.10124	1.5
147.04424	0.6
147.08043	0.5
147.11670	2.4
149.05887	0.5
149.09587	2.2
151.07603	0.4
154.98941	0.4
155.08618	0.4
157.10120	1.2
159.11703	0.8
161.05978	0.5
161.13289	0.4
163.11305	0.4
167.07068	0.7
167.10677	0.5
171.11752	0.8
175.11195	1.0
175.14803	0.4
185.04250	0.8
185.13197	0.6
189.09138	0.7
193.12268	1.7
203.05388	0.7
211.13359	0.5
225.14888	0.6
243.08473	2.5
247.13170	0.5
267.15958	1.0
275.89542	0.4
283.15121	4.4
308.81393	0.4
333.20279	3.3
339.08652	0.4
339.17957	1.2
349.10516	0.6
363.08557	1.5
379.11945	0.5
389.23035	1.0
397.13034	0.7
419.14163	0.4
437.16040	0.5
463.23328	0.9
465.20886	5.1
469.20374	1.0
483.21835	0.4
487.21188	0.5
501.23001	15.7
551.28198	9.4
725.37347	1.8
811.44385	100.0
812.44623	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	810.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28728	0.1
60.04507	0.2
61.02937	0.1
65.03928	0.2
66.04712	0.2
66.32790	0.1
67.05491	0.3
69.03415	0.6
69.07048	0.2
70.06586	2.3
70.68795	0.1
71.04985	0.2
71.06937	0.1
71.62691	0.1
71.63139	0.1
72.08154	0.8
74.06069	0.2
78.04713	1.0
79.05486	1.2
81.03398	0.7
81.07059	0.7
83.04972	0.3
84.04488	0.2
84.08137	1.2
85.02891	1.0
86.06061	0.1
86.09689	0.9
86.63535	0.1
89.31950	0.1
91.05468	1.6
91.31764	0.1
93.07020	0.5
95.04974	0.5
95.08609	0.3
96.05742	0.3
97.02882	1.3
97.06531	0.1
98.09687	0.8
99.04450	0.3
101.07101	0.1
103.05463	0.4
105.03355	0.1
105.07014	1.4
106.04154	0.5
107.04950	1.7
107.08578	0.2
109.02863	0.6
109.06514	0.3
109.10143	0.1
110.09755	0.1
111.04439	0.1
111.08075	0.2
115.05434	0.6
116.06198	0.2
116.07001	0.1
117.03379	0.1
117.07017	0.5
119.04951	0.8
119.08583	0.2
120.08078	0.1
121.02838	0.2
121.06497	0.9
121.10115	0.3
122.03638	0.2
122.06058	0.1
123.04420	3.1
123.08085	0.1
123.11696	0.1
124.05217	1.6
125.05993	0.2
127.03905	1.9
128.06207	0.5
129.06992	1.9
129.10217	0.9
131.04922	0.3
131.08554	2.4
132.05711	0.1
133.02789	0.1
133.06512	1.3
133.10120	0.5
134.03610	0.3
135.04410	0.2
135.08047	0.1
136.07573	0.9
137.05966	0.8
138.05496	0.1
140.04567	0.1
141.06964	0.7
142.07791	0.2
143.08571	0.6
144.05724	0.8
145.02872	0.2
145.04933	0.3
145.06508	0.8
145.10101	0.2
146.06096	0.1
146.07222	0.3
147.04396	2.5
147.08049	0.2
147.11697	0.2
149.05966	1.0
151.03915	0.9
151.07558	0.2
152.04672	1.2
153.05392	0.1
153.06972	0.4
155.06006	0.1
155.07115	0.1
157.06500	1.1
158.07253	0.3
159.08038	4.5
161.05994	1.4
161.09605	1.2
162.07616	0.2
163.03894	0.2
163.07558	0.2
165.05466	0.2
165.09065	0.1
166.06178	0.1
167.07027	100.0
168.07376	1.1
169.06393	0.2
169.07652	0.3
170.07269	0.6
171.08034	0.9
172.05185	0.3
173.05988	0.8
174.06747	0.3
175.03862	0.1
175.07489	0.4
177.05496	0.6
177.09123	0.1
178.06244	0.3
179.07042	0.5
181.04987	0.2
181.06491	0.1
181.06924	0.1
181.08585	1.6
183.14993	0.2
187.05867	0.2
187.07527	4.1
189.05490	0.2
189.09094	1.7
190.06183	0.2
191.07008	0.4
192.07805	0.2
193.08594	6.4
195.10214	0.3
198.06662	0.2
199.07419	0.5
201.05475	0.2
201.09081	0.2
203.07007	0.5
204.07811	2.2
205.08627	0.5
206.09413	0.2
207.06534	0.3
207.10101	0.2
209.08038	0.2
211.09645	8.3
216.07825	0.6
217.08699	0.5
218.09471	0.2
218.11595	0.1
219.10172	1.8
221.08092	0.2
221.11626	0.7
231.10175	1.6
233.11732	0.5
234.08994	0.1
236.12851	0.3
237.11111	0.6
249.11203	60.6
250.11530	0.8
267.12280	2.2
295.05878	0.1
299.79382	0.1
313.07330	0.1
323.08829	0.2
325.07162	0.2
383.15042	0.2
385.16412	0.3
459.19946	0.6
487.17172	0.1
585.53455	0.1
630.30603	0.1
727.92761	0.1
810.31586	0.2
811.36090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.1
65.03938	0.2
66.04705	0.1
67.05504	0.2
68.91691	0.1
69.03421	0.3
69.07065	0.1
69.70915	0.5
70.06576	0.2
71.04985	0.1
72.08150	0.2
77.03928	0.1
78.04695	0.6
79.05052	0.1
79.05492	1.2
81.03415	0.5
81.07053	0.3
83.04980	0.1
84.04507	0.1
84.08147	0.2
85.02891	0.6
85.06500	0.1
86.09682	0.1
87.04452	0.1
91.05464	0.8
93.03385	0.1
93.07047	0.5
95.04974	0.6
95.08594	0.2
96.05790	0.1
97.02885	0.5
97.06496	0.1
98.09691	0.1
99.04434	0.1
103.03945	0.1
103.05453	0.6
104.06298	0.1
105.03381	0.1
105.04526	0.1
105.07024	4.3
106.04156	0.4
107.04947	1.2
107.08598	0.1
109.02850	0.2
109.06528	0.1
109.10093	0.1
111.04462	0.1
111.08113	0.1
112.07561	0.1
115.05441	0.9
117.07014	0.2
118.04105	0.3
119.04932	0.3
119.08543	0.1
120.08085	0.1
121.02824	0.1
121.06493	1.2
121.10091	0.1
122.03660	0.1
123.03546	0.1
123.04429	2.6
123.08051	0.1
123.11691	0.1
124.05195	1.2
125.05956	0.2
127.03909	0.8
129.06990	0.1
131.04913	0.2
132.05701	0.1
133.06483	4.6
133.10115	0.2
134.03598	0.2
135.04387	0.2
135.08090	0.1
136.07605	0.1
137.05960	0.4
138.05447	0.1
139.07527	0.1
143.04935	0.1
143.06038	0.2
145.02820	0.1
145.04930	0.1
145.06444	0.2
145.10124	0.1
147.04401	1.1
147.08118	0.1
147.11610	0.1
148.04866	0.1
149.05962	0.9
151.03915	0.7
151.07527	0.2
152.04683	1.1
155.07036	0.1
161.05974	7.8
162.07570	0.1
163.03903	0.1
163.07553	0.2
165.05481	0.1
165.09047	0.1
166.06271	0.3
167.07025	100.0
168.04156	0.1
168.07365	1.1
171.08076	0.1
173.06015	0.2
175.03865	0.1
175.07512	0.1
175.14803	0.1
177.05457	0.3
178.06236	0.2
179.07010	0.6
181.08572	7.6
187.07468	0.1
189.09132	0.1
191.07004	0.8
193.08592	13.6
195.10126	0.3
198.09132	0.1
205.06700	0.1
205.08575	0.8
207.06490	0.2
207.10170	0.3
208.09639	0.1
209.08049	0.2
211.09639	13.7
212.10040	0.1
217.08597	0.1
219.10155	0.2
223.09631	3.0
231.10158	0.1
233.11519	0.1
235.09636	0.1
239.09142	0.1
243.11220	0.1
244.11621	0.1
249.11165	0.3
253.10678	0.1
271.06039	0.1
272.06500	0.1
285.12323	0.1
286.12375	0.1
313.07040	0.3
314.07297	0.2
319.11603	0.1
325.06967	0.3
335.08801	0.1
337.13007	0.1
353.13770	0.1
359.15094	0.1
370.13651	0.1
383.14899	0.1
385.16376	0.9
399.13925	0.1
403.17328	0.6
415.17712	0.1
488.09796	0.1
543.28058	0.1
810.31317	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	809.264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.9
61.02897	0.5
65.03936	0.6
67.05489	2.0
68.99783	0.7
69.03415	3.1
69.07062	30.4
70.06564	0.5
70.75521	0.9
70.75914	0.9
71.04985	0.7
73.02905	0.5
77.03931	0.9
79.05489	8.0
81.03399	2.4
81.07059	2.2
83.04946	0.8
85.02895	3.0
89.03931	0.7
91.05473	3.1
93.07036	1.9
95.04968	2.1
95.08611	2.2
97.02862	2.4
97.06532	0.8
98.06113	0.4
99.04471	0.7
100.95130	0.4
103.03949	0.6
103.05453	6.2
105.03425	0.5
105.07022	23.1
107.04960	1.6
107.08582	1.9
109.02860	2.1
109.06502	1.0
109.10156	0.8
111.04428	0.6
115.05457	7.3
117.03403	0.6
117.06998	1.6
118.04150	4.8
119.04951	2.3
119.08546	1.2
121.02863	6.8
121.06487	1.0
121.10112	1.2
123.04403	1.2
123.11664	0.6
125.05974	0.7
125.32476	0.5
127.03906	2.8
129.06984	1.3
131.04924	2.6
131.08536	1.0
133.06480	29.8
133.10094	1.3
134.06815	0.5
135.04408	0.7
135.08069	0.8
137.02327	0.5
137.05963	1.3
141.06979	2.0
142.04163	0.5
142.07704	0.6
143.04903	7.7
143.08598	1.2
144.05664	0.5
145.02832	2.7
145.04924	0.5
145.06409	0.9
145.10100	1.1
146.03624	1.5
147.04359	2.5
147.08020	1.5
147.11649	0.6
149.05981	0.9
149.09613	0.5
151.03873	0.4
151.07530	1.6
152.06137	2.3
155.04909	5.1
155.08588	0.5
157.06483	1.4
157.10089	1.1
159.04417	2.7
159.08022	0.9
159.11754	0.7
160.05200	1.8
161.05969	22.7
161.09605	0.6
162.03108	7.0
162.06412	0.4
163.03906	1.1
165.05585	0.6
165.06982	1.3
165.09171	0.5
166.07736	0.6
167.07018	3.1
167.08551	4.4
169.06447	2.3
171.04405	1.8
171.08018	3.1
172.05130	0.8
173.05960	1.1
173.09613	0.6
173.13275	0.7
174.03098	1.5
175.03902	1.3
175.07550	3.6
175.11156	0.5
175.14842	0.6
177.05453	41.4
178.05864	0.5
179.03384	0.7
179.08505	0.7
181.06491	0.8
181.08583	2.4
185.06029	0.6
185.09612	3.0
187.03909	1.3
187.05861	0.8
187.07532	14.8
188.04689	3.3
188.08307	1.1
189.01889	0.6
189.05437	19.9
189.09065	1.1
190.06192	0.6
191.03424	1.1
191.06999	0.9
191.08594	0.6
191.10623	0.7
191.14259	0.5
193.08603	0.7
194.07256	0.6
195.02892	1.4
195.08047	19.5
196.08638	0.7
197.06021	0.8
199.07567	0.7
199.11244	0.7
201.05489	1.5
201.09109	1.1
203.03346	1.0
203.07008	19.6
203.10626	3.0
205.04985	0.9
205.08554	0.9
205.12227	0.8
207.06514	100.0
208.06807	1.5
209.04439	0.6
209.06700	0.5
209.09645	1.5
211.07530	0.7
212.08282	1.9
213.05489	1.1
213.09053	2.5
214.06287	0.5
214.09596	0.7
215.07057	1.0
217.04993	1.1
217.08737	0.6
217.12231	1.3
219.02985	0.8
219.06514	1.4
221.04430	0.8
227.07181	0.7
227.10654	16.3
227.12906	0.8
229.04880	1.0
231.02954	0.5
231.06468	6.4
245.11714	89.0
246.12074	1.6
255.06664	0.8
257.11743	1.1
268.07288	1.2
269.08047	0.4
269.11795	2.0
271.05988	1.7
273.11215	0.8
279.06461	1.6
281.08069	1.3
283.06009	3.8
284.06656	2.2
285.07498	0.5
287.12778	6.6
291.06482	0.5
293.08054	0.7
294.05176	2.3
295.05988	14.6
296.06573	0.8
297.07584	2.9
307.05988	11.2
308.06662	2.8
309.04132	0.7
309.07559	6.7
311.12698	0.6
313.07013	12.7
319.06006	1.4
320.06613	1.1
321.07449	6.3
322.08301	1.0
323.05530	0.8
323.09085	0.7
324.06262	0.7
325.07028	13.7
325.13007	0.7
333.07507	2.4
335.05573	0.6
335.09143	2.1
337.07007	16.3
339.08698	3.2
343.08224	1.6
345.07651	1.4
347.09055	2.0
349.07034	7.4
349.10825	0.9
351.08536	2.7
353.13882	1.0
355.08017	2.5
361.06912	3.2
361.10809	0.6
363.08459	2.1
363.12314	1.2
365.10162	1.1
367.08069	9.6
373.07050	1.4
375.08588	2.0
377.10434	0.5
379.07962	10.7
379.11884	1.0
381.09045	0.6
381.13293	2.7
385.09122	11.9
387.08615	0.7
389.15900	1.7
391.08069	7.3
397.08490	3.4
397.12958	1.7
399.10312	1.1
403.10327	20.6
405.09619	0.8
407.17081	6.8
409.09045	5.1
410.09708	0.6
411.14496	1.2
415.09775	1.0
421.09143	3.7
427.10217	22.4
433.09201	1.8
439.10040	2.6
445.11188	6.8
451.10291	3.3
455.11380	0.6
457.11148	4.4
463.10422	1.0
467.11020	0.6
469.11386	4.6
475.11172	1.6
481.11526	2.7
493.11191	5.0
497.12073	0.9
499.12131	1.9
511.12280	4.1
525.12164	0.7
527.11371	0.5
529.13605	4.9
547.14459	9.8
551.16919	1.2
565.15759	2.7
581.18146	3.5
585.13159	0.7
599.19061	4.5
603.14783	1.0
620.69403	0.5
635.18823	1.1
653.20026	4.4
665.19806	0.5
671.21063	5.5
683.20758	0.7
689.22192	4.7
693.22278	0.7
701.22235	2.9
719.23138	8.1
755.23010	1.1
773.23779	1.8
791.25983	2.7
809.26569	4.2
809.40686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	24.2
57.84412	2.7
61.02922	4.6
67.05496	85.7
69.07052	18.9
71.04955	4.5
71.13920	7.2
79.05483	60.3
81.07047	85.9
81.36658	3.3
83.04967	3.6
83.08618	8.5
85.02902	6.8
85.06528	6.3
91.05474	49.7
93.07034	81.5
95.04945	7.2
95.08596	68.1
97.02880	5.7
97.10181	3.3
97.63697	2.9
99.08075	3.8
102.22905	2.5
105.07036	42.5
107.08586	45.2
109.06482	4.9
109.10153	24.5
111.08057	3.6
117.06985	17.7
119.08553	30.7
121.10132	38.8
123.08061	3.4
123.11700	7.7
128.06245	3.1
129.07004	5.9
131.08545	26.2
133.10112	25.1
135.11668	20.5
137.13188	3.3
143.08549	9.0
145.10100	25.4
147.11678	22.8
149.13261	11.7
157.10139	7.0
159.11649	15.6
160.02684	2.7
161.13306	10.8
163.14864	6.2
171.11656	9.6
173.13284	9.4
175.14845	4.2
185.13289	7.8
187.14803	11.6
199.14771	3.8
205.15871	3.5
211.14742	3.3
215.18040	3.6
241.19524	11.8
259.20541	24.7
261.22159	9.2
277.21671	17.5
314.50055	2.8
333.24390	17.7
335.25745	100.0
337.27209	3.8
351.25323	38.7
529.38861	3.9
565.30212	3.5
611.46393	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.1
59.65984	0.1
60.04521	0.1
60.21619	0.1
60.57056	0.1
61.02925	0.1
65.03918	0.1
66.04714	0.1
67.05502	0.2
68.99789	0.1
69.03423	0.5
69.07063	0.1
69.32220	0.7
70.06577	0.2
71.04977	0.1
72.08143	0.1
73.02899	0.1
77.03925	0.1
78.04699	1.0
79.05478	1.0
81.03406	0.8
81.07064	0.4
83.04971	0.2
83.08612	0.1
84.08131	0.1
85.02897	1.1
85.06508	0.1
86.09733	0.1
91.05472	0.6
91.52048	0.1
93.07035	0.5
95.04964	0.6
95.08594	0.3
96.05729	0.1
97.02876	0.6
97.06494	0.2
98.06053	0.1
98.09657	0.1
99.04439	0.2
103.03927	0.1
103.05460	0.3
105.03406	0.1
105.07021	1.0
106.04156	0.6
106.09048	0.1
106.09810	0.1
107.04945	1.6
107.08584	0.3
109.02866	0.5
109.06496	0.2
109.10146	0.2
111.04440	0.1
111.08113	0.1
112.07590	0.1
115.05423	0.3
117.06998	0.4
119.04939	0.3
119.08563	0.2
121.02914	0.1
121.06491	0.6
121.10133	0.2
122.03654	0.2
123.04415	3.2
123.08054	0.1
124.03914	0.1
124.05198	1.4
125.05980	0.2
127.03905	0.8
129.06984	0.1
131.04912	0.2
131.08565	0.2
133.06473	0.8
133.10112	0.2
134.03583	0.2
135.04404	0.2
135.08022	0.1
135.11655	0.1
136.07573	0.1
137.02333	0.1
137.05956	0.7
138.05450	0.1
140.04623	0.1
140.52356	0.1
142.08595	0.1
143.08549	0.1
144.05653	0.1
144.06616	0.1
145.02838	0.2
145.04930	0.2
145.06479	0.8
145.10098	0.1
147.04381	0.7
147.11670	0.2
148.04909	0.1
149.05965	0.8
150.06343	0.1
151.03868	0.7
151.07486	0.2
152.04669	1.2
152.07953	0.1
153.01761	0.1
153.05399	0.1
155.07031	0.2
156.05679	0.1
157.06500	0.1
159.04263	0.1
159.07959	0.3
161.05980	0.8
162.07603	0.2
163.03882	0.1
163.07559	0.2
165.05492	0.1
165.09048	0.1
166.06229	0.2
167.07016	100.0
168.04163	0.1
168.07367	1.6
173.05965	1.3
173.13214	0.1
175.03899	0.2
175.07553	0.1
175.14851	0.1
177.05460	0.5
178.06198	0.1
178.57265	0.1
179.03288	0.1
179.06990	0.4
180.08701	0.2
181.04955	0.1
181.06924	0.1
181.08546	1.0
183.02873	0.1
187.07480	0.3
189.05434	0.1
189.09085	0.1
190.06244	0.8
191.06975	0.1
191.14395	0.1
193.08582	4.6
194.08963	0.1
201.05382	0.1
202.06328	0.1
203.06995	0.2
205.08583	2.1
207.06512	0.3
207.08189	0.1
209.07935	0.1
209.15314	0.1
211.09625	10.6
212.09953	0.1
215.07016	0.1
215.10561	0.1
217.08598	1.0
219.10153	0.5
223.09435	0.1
231.10132	0.1
235.09648	0.6
247.09688	0.3
249.11156	0.1
255.06438	0.2
265.10696	1.2
265.15125	0.1
269.07953	0.1
271.05914	0.3
271.09222	0.1
272.06393	0.2
284.06509	0.1
285.07559	0.1
291.10208	0.1
292.15497	0.1
295.06152	0.1
295.09351	0.1
307.09464	0.1
310.04425	0.1
311.05176	0.1
313.07193	0.1
314.07269	0.1
315.08633	0.1
321.07318	0.1
323.08914	0.1
323.12659	0.1
325.07077	0.5
326.07388	0.3
330.10873	0.3
331.11639	0.1
337.06985	0.1
339.08347	0.1
339.12219	0.1
351.11896	0.2
353.09988	0.1
371.14832	0.2
379.11865	0.1
383.14874	0.7
401.15903	1.1
403.36639	0.1
439.17407	0.1
544.18854	0.1
560.18237	0.1
611.25006	0.1
782.65619	0.1
789.09906	0.1
808.34058	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	806.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03177	2.3
57.03432	25.9
57.07064	2.0
59.05002	2.1
61.02901	3.2
61.94715	1.6
65.03931	5.7
67.05498	60.5
69.03429	10.7
69.07063	22.5
71.04982	8.2
71.63699	1.5
71.64120	1.9
72.64916	1.2
73.02908	2.1
79.05487	52.7
79.05952	2.5
81.03412	71.7
81.07051	58.0
83.04974	10.8
83.08611	28.8
85.02886	8.3
85.06520	5.7
91.03952	2.1
91.05470	56.8
93.07037	46.1
94.86203	1.4
95.04961	33.5
95.08598	37.9
96.08980	1.5
97.02879	8.9
97.06528	10.9
97.10159	18.8
99.04462	2.1
99.08081	4.3
100.31552	1.3
103.05484	2.5
105.07021	48.5
106.07398	1.4
107.04936	11.9
107.08585	35.2
109.02888	4.1
109.06524	8.8
109.10148	19.6
111.04433	3.4
111.08070	11.9
115.05470	3.2
116.06178	1.7
117.07009	26.4
117.56272	1.2
119.04970	2.3
119.08572	43.6
121.06527	10.1
121.10130	19.4
123.04401	8.1
123.08030	3.8
123.11698	4.6
125.05980	1.8
125.09632	17.9
127.03909	5.2
127.11236	1.2
127.64079	1.2
128.06210	4.4
129.05504	1.7
129.06993	23.7
130.07753	1.8
131.08559	33.9
133.06459	5.0
133.10130	23.6
135.08028	7.8
135.11676	9.1
137.05939	1.7
137.09610	4.7
139.11188	2.4
141.06972	5.1
142.07756	4.3
143.08562	18.3
144.09297	1.4
145.06471	4.5
145.10109	30.6
147.04384	2.2
147.08009	7.8
147.11662	21.5
149.05869	1.9
149.09608	12.2
149.13249	3.9
151.07561	2.2
151.11195	2.3
153.09114	2.3
155.08508	10.3
156.09267	1.8
157.06531	2.3
157.10118	22.8
159.08047	6.5
159.11673	19.6
161.05966	2.8
161.09630	5.6
161.13242	5.7
163.11145	9.3
165.08919	1.3
165.12775	1.6
167.07034	6.2
167.08571	4.3
168.09322	1.4
169.10106	9.4
171.08026	4.2
171.11635	10.0
173.09639	4.5
173.13234	7.1
175.03876	2.3
175.07477	2.0
175.11154	9.2
175.14890	1.8
176.03418	2.5
177.12747	2.7
179.08531	2.0
181.10104	4.0
183.11702	8.2
185.09724	1.7
185.13222	16.8
187.11177	3.4
187.14870	2.0
189.05353	1.3
189.09360	1.7
189.11214	6.2
189.12656	3.0
191.10580	2.2
191.14238	2.3
193.12215	15.8
195.11723	5.0
195.13676	2.2
196.93227	1.4
197.13245	5.8
199.11336	1.9
199.14873	2.7
201.16457	2.1
203.14253	6.0
205.12268	2.4
205.15941	2.0
207.06502	2.5
207.11662	2.8
209.09610	1.2
209.13292	3.0
211.11324	1.3
211.13185	2.7
211.14957	2.5
215.14375	1.9
215.17824	1.6
218.74609	1.3
219.17432	2.6
221.13293	1.4
227.12718	14.2
229.14261	3.2
229.19572	1.8
239.17932	5.3
249.14711	1.8
253.18039	5.3
257.18994	11.0
259.20569	1.6
265.14484	1.9
267.15869	46.4
269.17349	2.2
271.17007	2.2
273.18576	1.8
275.20111	18.2
281.19244	1.7
285.18539	2.1
289.17917	1.9
291.19434	4.0
297.22192	3.9
299.14969	2.4
299.20029	3.2
301.21552	1.4
303.19333	1.5
315.18057	2.0
315.23108	3.2
324.06088	2.0
325.06686	3.2
331.22675	3.2
339.05188	1.4
339.08414	6.5
340.08847	3.7
347.09338	1.6
349.23676	19.1
357.09561	1.6
365.23364	1.8
379.11667	2.5
397.13004	3.9
414.15909	2.8
421.25790	4.9
429.26556	2.5
431.29373	6.9
433.16827	7.2
445.29376	1.4
447.27255	5.2
449.30554	10.0
459.27316	2.1
461.28656	3.1
463.30814	2.3
467.31580	8.3
469.29041	3.2
471.31015	3.0
473.28766	1.9
483.30948	2.8
485.32526	3.4
487.30475	11.9
489.31918	5.9
499.30444	1.7
501.31961	5.6
511.29099	2.2
519.33252	3.1
523.34198	13.7
541.35211	100.0
542.35474	5.1
553.24017	1.9
559.36267	35.5
573.37805	8.0
583.35754	1.7
591.38226	5.2
623.34229	1.6
649.36902	1.4
667.38055	1.8
685.38434	1.9
703.40344	1.7
770.24371	2.0
783.55835	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	805.457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.4
57.07059	0.3
59.04976	0.1
61.02911	0.3
65.03920	0.2
67.01843	1.2
67.05496	1.3
69.03136	0.1
69.03423	1.3
69.07059	1.2
70.06567	0.3
70.29370	0.4
71.04970	0.4
71.08596	0.2
72.08143	0.6
73.02907	0.1
77.03916	0.2
78.04690	0.1
79.05488	0.7
81.03412	0.9
81.07048	2.6
83.01335	0.2
83.04951	0.4
83.08608	0.4
84.08135	0.1
85.02894	3.7
85.06528	1.0
87.04436	0.1
91.03938	0.2
91.05460	1.6
93.07034	5.1
95.04961	0.7
95.08600	2.2
95.09164	0.1
96.05255	0.1
96.08931	0.1
97.02882	1.8
97.06489	0.1
97.10149	0.3
98.05994	0.1
99.04435	0.3
99.08080	0.5
103.03912	0.1
103.05439	0.1
105.03368	0.1
105.07019	0.8
107.04941	0.4
107.08577	1.1
108.08106	0.2
109.02863	0.8
109.06490	0.3
109.10149	1.6
110.03196	0.1
111.04436	0.2
111.08069	0.7
111.11729	0.2
117.07016	0.2
119.04912	0.5
119.08552	0.5
121.02869	0.2
121.06506	1.8
121.10113	0.8
122.03642	0.1
122.06017	0.1
123.04403	0.2
123.08052	0.3
123.11684	0.8
125.05950	0.3
125.09571	0.2
127.03905	2.2
127.11174	0.1
128.04234	0.2
129.05464	0.1
131.04897	0.2
131.08565	0.2
133.06467	0.2
133.10115	0.5
135.04356	0.2
135.08020	0.2
135.11673	0.6
136.07570	0.2
137.02248	0.1
137.05920	0.7
137.09579	0.1
137.13254	0.3
138.05479	0.1
138.06715	0.1
138.09109	0.2
139.07520	3.9
139.11197	0.1
142.07797	0.1
143.08540	0.1
145.02852	0.2
145.04892	0.6
145.10115	0.3
147.04395	1.4
147.08092	0.1
147.11673	0.3
149.05966	4.8
149.13257	0.6
151.03905	0.1
151.07526	2.6
152.07005	0.1
153.05458	0.2
155.06984	0.1
157.10249	0.1
159.08040	0.2
159.11713	0.2
161.05972	0.4
163.03951	0.2
163.07468	0.2
163.14839	0.5
163.60027	0.1
165.05475	0.2
165.09103	0.3
166.06261	0.3
166.08517	0.1
167.07021	100.0
168.07343	1.2
168.48570	0.1
171.06497	0.2
173.05972	0.2
173.09602	0.1
173.13126	0.2
175.03880	0.2
175.07509	0.2
175.11195	0.1
175.14789	0.2
177.05444	0.5
177.09094	0.3
177.16389	0.3
179.07007	0.2
179.08554	0.1
181.04924	0.2
181.08589	0.5
181.10031	0.1
183.03085	0.1
183.06544	0.1
184.09717	0.1
185.01207	0.1
187.07512	0.1
189.05527	0.1
189.09038	0.1
189.16389	0.2
190.04973	0.2
191.03458	0.1
191.07019	0.1
191.10632	0.6
191.17921	0.2
193.08543	0.2
203.10632	0.2
204.06601	0.2
205.08592	0.2
205.12213	0.5
205.19444	0.1
207.06494	0.4
207.10110	0.8
226.10751	0.1
227.11885	0.2
241.13388	1.3
269.12851	0.5
271.06003	0.3
273.25842	0.2
277.25336	0.2
279.26801	0.2
285.07568	0.4
291.26849	0.8
297.27826	0.4
299.05292	0.1
301.07065	0.2
309.07413	0.1
309.27975	0.3
319.19308	0.2
325.07053	0.4
337.07043	0.2
339.08508	0.3
341.13443	0.2
357.09775	0.1
361.17871	0.1
365.10120	0.2
371.25635	0.1
379.11853	0.2
398.14969	0.2
399.15756	0.2
409.30948	0.3
411.14172	0.2
413.11990	0.1
427.32153	1.4
445.33118	5.9
446.33932	0.1
462.33450	0.2
463.34143	22.2
464.34589	0.7
481.35138	0.7
576.23615	0.1
602.20734	0.1
611.24017	0.1
620.22766	0.1
729.30945	0.2
755.29401	0.3
773.29016	0.2
777.36438	0.2
787.30627	0.1
805.35303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	10.9
65.03915	0.9
67.05500	25.3
69.03119	0.8
69.03429	7.7
69.06712	1.4
69.07063	17.5
71.04990	4.1
71.23103	1.6
73.02886	0.9
79.05486	21.1
81.03411	54.0
81.07050	21.2
82.03735	1.0
83.04978	5.7
83.08601	14.5
85.02901	3.1
85.06523	1.1
91.05472	22.1
93.07037	18.6
95.04961	20.4
95.08590	10.4
97.02879	9.9
97.06513	3.7
97.10160	12.1
103.05496	1.0
105.07019	17.8
107.04941	8.6
107.08589	13.6
109.02903	1.3
109.06545	4.1
109.10145	9.5
111.04472	1.9
111.08083	5.2
115.05437	1.9
117.07013	5.9
119.04929	1.7
119.08571	14.9
121.06494	5.1
121.10127	9.2
123.04409	2.0
123.08067	3.0
123.11717	2.5
125.09615	8.4
127.03864	0.7
128.06186	1.1
129.06993	8.5
130.07845	0.9
131.08548	12.6
133.06482	4.6
133.10101	8.9
134.07239	1.2
135.04384	0.8
135.08041	3.5
135.11673	2.4
137.06068	1.0
137.09615	2.6
141.06998	1.1
142.07735	1.6
143.08551	3.2
145.06529	1.1
145.10132	6.4
147.04427	1.2
147.08017	4.8
147.11673	5.8
149.09612	4.4
149.13292	1.3
151.07542	1.0
151.11229	1.2
153.09111	1.1
153.12744	0.8
155.08571	1.7
157.10101	8.4
159.08052	1.0
159.11684	2.7
161.09625	2.2
161.13210	1.3
163.11211	2.7
165.12817	2.2
169.10158	1.2
171.11665	1.9
175.11163	7.0
185.09589	1.1
185.13257	1.7
189.09357	0.7
189.11212	3.4
189.12737	1.2
193.12216	12.2
205.12236	2.4
211.13194	1.9
219.13792	2.7
223.13248	13.1
227.12737	8.0
235.13332	1.0
245.19092	1.2
249.14803	3.5
253.14279	3.6
267.15887	71.7
273.15585	1.4
273.18384	8.5
291.19516	65.0
292.19931	1.2
313.21622	2.1
347.22025	2.0
364.71838	0.8
365.23209	44.6
412.14880	0.9
417.13165	0.8
419.24011	1.2
445.26028	4.8
459.27240	6.5
463.26859	1.3
465.29953	1.6
477.28369	4.9
483.30960	1.6
487.26831	1.0
539.33679	7.2
557.34692	100.0
558.35107	2.3
575.35675	2.1
589.37482	0.9
599.35168	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
65.03931	1.2
67.05498	0.3
69.03429	3.9
69.03804	0.2
69.07058	0.2
70.03773	0.1
70.06589	0.2
71.04993	0.2
72.08154	0.2
73.02916	0.3
76.42114	0.1
78.95908	0.1
79.05487	0.4
81.03427	0.9
81.07072	0.4
83.04966	0.2
84.04510	0.3
85.02902	0.9
86.06065	10.0
86.09693	0.1
87.04466	1.2
89.03903	0.1
91.05478	7.9
92.05802	0.1
93.07024	0.3
95.04948	0.3
95.08586	0.2
97.02879	0.8
99.04469	0.4
103.03925	0.2
103.05424	0.1
104.07104	1.0
105.07022	0.3
105.72819	0.1
107.04958	1.5
107.08570	0.2
109.02859	0.9
109.06505	0.1
109.10145	0.2
115.03928	0.1
115.05440	0.1
117.07032	0.3
119.04939	21.9
119.08585	0.3
120.05294	0.2
121.02863	1.7
121.06528	0.2
121.10178	0.2
123.04436	0.2
123.11713	0.1
127.03912	1.8
128.07095	0.4
130.05000	1.8
131.04930	0.3
131.08609	0.2
133.06471	0.4
133.10104	0.1
135.04422	0.6
135.11740	0.1
137.05983	0.1
141.07059	0.2
145.04961	1.1
145.06514	0.6
147.04404	100.0
148.04742	1.3
149.09564	0.1
151.03944	0.1
151.07568	0.4
153.05743	0.1
153.06940	0.5
155.06102	0.1
155.08560	0.4
157.06517	0.4
158.07208	0.1
159.08072	0.3
165.06996	1.0
167.07039	1.2
168.05672	0.2
168.07405	0.1
169.06454	0.1
171.08047	0.4
173.05980	5.1
173.09587	0.5
175.03928	0.1
175.07513	0.5
177.05496	0.2
183.08061	1.7
185.06039	0.2
186.06705	0.1
187.07556	1.0
191.10623	0.2
194.08215	0.1
199.07513	0.2
201.05566	0.3
201.09163	0.7
211.07538	10.1
212.09309	0.8
213.05588	0.1
213.07382	0.1
227.06921	0.1
229.08585	11.2
230.10246	5.1
232.09641	0.9
247.09677	2.7
248.11333	1.4
250.10742	3.3
255.06537	0.2
273.07553	0.5
285.07440	0.1
291.08691	0.2
292.11691	0.2
307.09479	0.2
308.06378	0.1
322.12717	0.2
323.09235	0.1
324.06213	0.5
325.06888	0.2
326.07739	0.2
335.09305	0.2
336.06149	0.3
337.06937	0.2
339.08575	1.5
340.09094	0.1
340.11975	0.9
350.07919	0.1
351.08475	0.4
351.12344	0.2
358.12839	2.2
360.09808	0.4
361.10532	0.2
363.08676	0.6
364.09354	0.2
365.09995	0.2
375.12341	0.6
376.13892	6.6
377.10181	0.2
377.14282	0.2
378.10876	1.4
379.11417	0.4
387.98117	0.1
393.08368	0.2
393.13321	4.4
394.14841	2.1
395.10730	0.1
411.14377	9.0
412.14716	2.0
413.15350	0.1
427.32251	0.1
439.76572	0.1
445.28757	0.1
445.33896	0.1
658.24872	1.0
777.95319	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	803.493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	47.5
57.07056	5.8
59.05000	2.3
61.02920	14.3
65.03940	8.0
67.05499	85.4
69.03422	22.8
69.07063	37.9
71.01344	1.9
71.04988	22.3
73.02905	6.2
75.04472	1.8
79.05487	77.0
79.05954	3.7
81.03416	22.9
81.07052	100.0
82.07391	2.2
83.04987	10.4
83.08620	28.4
85.02895	23.9
85.06534	14.5
91.03940	6.7
91.05473	84.8
93.07037	76.9
95.04969	27.5
95.08600	73.4
97.02888	28.2
97.06516	28.0
97.10143	10.2
99.04453	7.7
99.08083	14.7
101.02402	3.3
103.03912	2.4
103.05460	4.5
104.10778	2.2
105.07020	78.0
107.04955	14.6
107.08588	48.4
109.02863	7.7
109.06506	59.7
109.10147	28.3
111.04441	4.2
111.08077	16.6
113.06002	14.8
113.09629	3.2
115.05434	4.4
115.07583	3.3
116.06240	2.1
117.07001	37.1
119.08568	61.0
121.06497	9.2
121.10134	30.1
123.04440	5.3
123.08076	13.9
123.11707	4.6
125.09628	13.3
127.03925	11.2
127.07573	3.2
128.06227	7.8
129.06982	28.9
130.07782	2.4
131.08556	53.4
133.06465	7.3
133.10130	39.7
135.08038	24.8
135.11694	20.0
137.05975	3.1
137.09612	7.3
139.11163	3.2
141.06006	1.9
141.06932	13.3
142.07797	6.9
143.08543	34.8
145.04909	2.5
145.06479	8.4
145.10124	46.2
147.08052	8.5
147.11684	21.4
149.05934	3.5
149.09573	11.5
149.13211	10.1
151.07497	3.7
151.11156	3.9
153.06990	3.0
154.07793	4.6
155.08528	27.7
156.09325	4.4
157.06454	3.1
157.10114	31.8
159.08044	10.0
159.11674	30.5
161.09618	14.1
161.13235	9.2
163.11153	9.2
163.14713	3.6
165.06953	3.9
165.12781	3.0
166.07838	3.8
167.07176	3.5
167.08572	8.6
168.09308	3.1
169.10117	29.1
170.10950	2.9
171.08035	4.1
171.11691	27.0
173.09616	8.0
173.11824	2.8
173.13263	16.0
175.11131	9.4
175.14783	5.8
177.12743	6.4
179.08572	5.8
179.10703	2.7
180.09329	3.5
181.10095	21.2
183.11659	30.0
185.09633	4.3
185.11740	3.3
185.13246	22.4
187.11101	8.9
187.14819	8.2
189.09129	2.4
189.11154	2.5
189.12724	5.3
191.08611	3.9
191.10587	2.1
191.14275	2.8
192.09280	2.2
193.10153	8.4
194.10867	2.7
195.11697	19.6
197.09634	2.5
197.13257	19.0
199.11160	6.5
199.14830	11.1
201.07588	3.7
201.12769	4.4
201.16420	3.5
203.14265	6.9
205.10150	3.5
205.12097	1.9
205.15884	4.0
206.10748	2.0
207.11792	8.8
207.13649	2.8
209.13264	15.5
211.11195	3.5
211.14755	11.4
213.12802	3.2
215.09010	2.9
215.14366	2.9
217.15804	8.8
219.11833	3.3
219.17427	3.4
221.13237	8.2
221.15263	3.8
223.14832	8.1
225.12784	2.5
225.16373	3.5
227.12682	3.6
229.16005	3.5
231.11708	2.4
233.13281	4.3
233.15381	2.4
235.14835	6.4
237.16351	7.7
239.17932	6.5
240.72043	1.9
241.16008	2.0
241.19566	4.0
243.17406	2.6
245.13445	3.1
245.18971	2.6
247.14767	4.4
249.16380	4.6
251.17993	3.9
253.15790	3.0
255.17430	5.9
257.13092	2.5
257.19052	10.1
259.20547	10.1
263.17868	2.9
267.17471	2.2
271.20499	3.2
273.15826	2.7
273.18497	31.1
275.17612	2.9
275.20102	23.5
277.21835	8.8
279.15881	2.1
287.20251	2.9
291.19440	10.6
297.18527	2.3
299.20224	4.3
311.20160	2.4
313.21750	2.2
321.22244	2.1
325.21777	4.2
329.21265	4.0
331.22604	3.0
333.24216	6.0
347.22049	17.0
349.23825	20.7
351.25244	12.1
365.23450	4.1
367.25897	3.7
381.28082	2.8
391.25906	2.8
405.28000	2.6
411.14383	4.4
435.32706	2.7
441.30737	2.3
445.31113	2.0
447.32468	3.3
456.50574	1.9
459.31894	5.4
485.32217	3.8
499.34082	4.1
511.34708	2.4
513.36566	8.4
527.37152	6.7
529.38739	3.5
531.38214	10.6
537.35571	5.8
539.37195	6.9
549.39429	8.7
551.37091	10.2
553.39160	9.2
555.36353	9.2
557.38300	3.6
565.38708	4.5
567.40497	7.0
569.38501	10.9
571.39716	6.4
583.39563	2.4
587.40692	2.4
605.41876	21.4
623.42993	79.3
624.43823	4.9
641.44055	50.7
663.41815	2.3
665.43256	2.5
731.44440	4.3
749.45850	3.5
767.47278	8.7
785.47998	15.6
803.49329	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	803.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
59.04975	0.2
61.02916	0.5
65.03909	0.2
65.40402	0.1
67.05492	0.5
68.99786	0.2
69.03422	4.8
69.07037	0.3
70.06574	0.5
71.01350	0.3
71.04981	1.7
71.61385	0.1
71.61822	0.2
72.08141	0.2
73.02911	2.2
78.04688	0.1
79.05479	0.7
81.03409	7.0
81.07043	1.0
83.01326	0.2
83.04979	1.1
83.08605	0.3
84.08120	0.4
85.02896	12.3
85.06535	0.3
86.03220	0.2
86.09669	0.2
87.04475	0.5
91.03974	0.2
91.05461	0.8
93.07024	0.7
95.04959	1.3
95.08597	0.7
97.02882	7.6
97.06509	0.7
99.04444	11.0
101.02337	0.2
103.03934	6.1
105.03415	0.1
105.07019	1.0
105.74362	0.1
107.04966	0.7
107.08588	0.8
109.02868	13.9
109.06506	1.0
109.10156	0.5
111.04404	0.7
111.08077	0.2
115.03928	0.5
117.07004	0.2
119.04920	0.6
119.08569	0.5
121.02866	0.5
121.06483	0.4
121.10094	0.7
123.04459	1.0
123.08065	0.7
123.11717	0.1
125.02335	0.3
125.05987	0.2
127.03904	100.0
128.04257	1.1
129.05536	0.1
129.06934	0.2
131.04907	0.3
131.08557	0.3
133.06462	0.5
133.10117	1.0
134.03638	0.3
135.04442	0.3
135.08061	0.5
135.11714	0.3
136.07573	0.1
137.02325	0.3
137.05978	0.6
137.09624	0.2
139.03896	0.3
143.08594	0.2
145.04944	8.9
145.10083	0.3
146.05276	0.2
147.04358	1.0
147.11713	0.5
149.05965	0.4
149.13289	0.2
150.10324	0.3
151.03880	0.7
151.07559	0.3
151.11240	0.2
153.01796	0.4
153.05449	0.2
153.09055	0.7
155.03357	0.1
157.04961	0.4
159.08025	0.1
161.06021	0.6
163.04008	0.2
163.06029	1.9
163.07394	0.3
163.11198	0.2
165.05508	0.2
165.09116	0.3
165.12740	0.7
167.05615	0.3
167.07027	4.6
169.04967	1.3
171.02866	0.2
173.04459	0.2
173.13274	0.7
175.03920	0.5
175.07523	0.2
175.14865	0.1
177.05481	0.6
179.03595	0.2
179.06992	0.2
181.04951	0.4
181.08603	0.3
185.05864	0.1
187.06009	3.8
187.07643	0.3
189.05574	0.3
191.07027	0.4
191.14291	2.5
191.15982	0.1
193.04991	0.5
193.08563	0.6
195.06502	0.2
199.06015	0.4
205.04959	0.4
205.07063	1.4
207.06465	0.8
209.08055	0.8
209.15350	1.5
211.06023	0.4
211.09633	0.2
213.05438	0.2
217.05031	0.3
225.14734	0.2
227.09193	0.2
227.16370	0.5
229.06995	0.8
235.06001	1.1
235.08107	0.2
245.10027	0.5
247.08029	0.5
253.07076	2.7
255.06522	0.4
261.09125	0.1
262.14468	0.1
269.04440	0.2
270.05295	0.1
271.06030	0.4
271.08142	6.7
272.08627	0.2
285.07648	1.0
286.07855	0.2
289.09167	4.2
295.08539	0.2
307.10214	1.0
310.04813	0.2
311.05148	0.1
313.09363	0.3
318.08539	0.2
325.07013	0.7
329.07797	0.2
331.10236	0.5
333.11230	0.4
337.06970	0.2
337.10645	0.2
339.08633	0.2
346.08130	0.8
349.11298	0.7
353.10278	0.3
361.10669	2.3
364.09250	0.8
367.11847	0.2
373.11383	0.2
379.11737	7.1
380.12091	0.4
383.14771	0.2
397.11276	2.0
403.03036	0.1
415.12314	4.2
433.13409	2.7
451.14484	0.9
479.20642	3.1
480.21228	0.2
498.80484	0.1
541.15656	0.8
577.17529	1.4
641.25958	1.9
803.35815	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	803.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
57.07066	0.2
59.04976	0.3
61.02921	0.4
65.03899	0.2
65.96629	0.2
67.05499	0.9
69.03070	0.4
69.03422	4.9
69.07050	0.8
70.06570	0.2
71.01357	0.2
71.04984	1.8
71.07561	0.4
72.08142	0.3
73.02901	2.0
79.05492	1.1
81.03410	7.1
81.07043	2.7
82.65807	0.2
83.04971	1.6
83.08612	1.1
84.08136	0.2
84.69773	0.1
85.02895	11.9
85.06532	0.3
86.03225	0.2
87.04436	0.4
91.05460	1.3
93.07053	1.2
95.04964	7.5
95.08595	0.9
97.02884	6.2
97.06521	0.6
97.63796	0.2
99.04445	11.9
101.02348	0.4
103.03931	6.8
105.07018	1.8
107.04956	0.5
107.08584	2.0
109.02866	14.6
109.06506	2.4
109.10106	0.9
109.17665	0.2
110.03712	0.2
111.04446	0.6
111.08076	0.3
115.03909	0.6
117.06999	0.2
119.04901	0.4
119.08591	1.0
121.06506	0.4
121.10136	2.1
123.04444	0.5
123.08041	1.6
123.11711	1.2
125.02361	0.4
127.03902	100.0
128.04265	1.0
131.08551	1.2
133.10115	2.8
135.04359	0.3
135.08063	1.3
135.11610	0.4
137.05974	0.5
137.09586	0.3
139.11203	0.3
141.05447	0.3
143.08528	0.2
145.04939	9.8
145.10126	0.8
147.04379	0.7
147.11658	1.5
149.09589	0.3
149.13229	1.0
150.10326	0.3
151.03889	0.4
151.07544	0.6
151.11092	0.3
153.09119	2.2
157.04944	0.5
158.10991	0.2
161.06042	0.4
161.09578	0.2
163.03918	0.4
163.06012	2.3
163.07423	0.3
163.11176	0.6
163.14874	0.4
165.05453	0.3
165.12766	1.3
167.07047	0.8
167.14330	0.6
168.10176	0.2
169.04935	1.4
171.10175	0.3
173.05931	0.2
173.13243	2.6
175.03848	0.3
175.14841	0.5
177.05489	0.3
181.04988	0.2
187.06006	4.3
189.05434	0.2
189.09187	0.2
189.12697	0.3
191.14282	7.0
193.04938	0.5
199.05905	0.3
205.05019	0.4
205.06967	1.8
207.06543	0.6
207.13844	0.4
209.08069	0.6
209.15352	4.9
211.06027	0.5
227.09032	0.2
227.16504	0.6
229.06976	1.0
235.05969	1.1
245.10086	0.3
247.08047	0.4
253.07040	3.2
271.06000	0.4
271.08142	7.3
289.09137	4.8
307.10172	1.0
313.09164	0.5
317.17410	0.3
331.10159	0.8
335.18405	0.2
339.08463	0.4
349.11331	0.7
353.19626	0.4
361.09406	0.3
373.11230	0.4
379.10275	0.7
397.11200	2.0
415.12329	4.5
433.13364	3.8
433.18710	0.3
451.14194	1.0
541.15967	0.4
577.17480	0.7
623.26495	0.4
641.27777	0.4
803.29309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.05001	0.1
61.02911	0.4
67.05502	0.2
69.03422	4.3
69.07050	0.3
69.80787	0.7
71.01328	0.1
71.04986	1.3
73.02911	2.3
79.05462	0.3
81.03410	6.5
81.07030	0.7
83.01314	0.2
83.04987	1.1
83.08600	0.3
84.08132	0.2
85.02895	11.5
85.06528	0.2
87.04458	0.2
91.05458	0.5
93.07040	0.5
95.04974	0.7
95.08584	0.3
97.02882	6.3
97.06520	0.5
98.20784	0.2
99.04446	10.8
101.02375	0.3
101.05991	0.1
103.03931	6.6
105.03422	0.1
105.07018	0.9
107.04952	0.2
107.08574	0.8
109.02866	13.5
109.06517	0.9
109.10143	0.3
110.03145	0.1
111.04420	0.5
111.08088	0.2
115.03909	0.5
117.07004	0.1
119.04932	0.2
119.08564	0.6
121.02888	0.2
121.06469	0.2
121.10126	0.7
123.04439	0.3
123.08083	0.6
123.11729	0.2
125.02345	0.5
125.05949	0.2
127.03902	100.0
128.04218	0.6
131.08560	0.4
133.06438	0.2
133.10123	1.2
134.09631	0.2
135.04405	0.2
135.08043	0.4
135.11736	0.2
137.02275	0.1
137.05923	0.3
137.09534	0.1
139.03882	0.2
145.04942	8.8
145.10138	0.3
147.04395	0.4
147.11710	0.7
149.05984	0.1
149.09601	0.1
149.13214	0.2
150.10316	0.2
151.03926	0.5
151.07503	0.5
153.01865	0.2
153.09076	0.4
157.04958	0.4
161.06010	0.2
163.03894	0.3
163.06003	1.9
163.11180	0.3
163.14703	0.2
165.05464	0.3
165.09082	0.1
165.12727	0.6
167.07054	0.7
169.04941	1.1
171.06549	0.1
173.04485	0.2
173.13199	0.7
175.03883	0.2
175.14813	0.2
177.05418	0.3
177.09131	0.1
179.06996	0.1
181.04918	0.2
187.06006	3.6
187.07669	0.2
189.05516	0.3
191.06993	0.2
191.14290	2.2
193.04980	0.4
199.06013	0.3
205.04993	0.3
205.07083	1.4
207.06503	0.5
207.13766	0.1
209.08073	0.3
209.15334	1.4
211.06006	0.4
217.04968	0.3
227.09174	0.1
227.16457	0.5
229.06966	0.7
235.05984	1.1
245.10152	0.3
247.08092	0.3
253.07056	3.0
255.06445	0.2
271.08105	6.5
285.07605	0.3
289.09149	4.3
289.12433	0.2
307.10229	0.8
313.09161	0.5
331.10123	0.4
349.11230	0.4
355.10437	0.1
373.11044	0.2
379.10336	0.6
397.11298	2.0
415.12286	3.9
433.13358	3.0
451.14551	1.0
475.14886	0.2
536.88873	0.1
541.15491	1.0
577.17535	1.5
623.27374	0.1
641.28406	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	803.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.9
57.07082	0.2
57.34179	0.2
59.04994	0.2
61.02916	0.6
63.66626	0.2
67.01845	0.2
67.05478	0.5
69.03422	5.3
69.07046	0.4
69.34647	1.5
69.35063	0.7
71.01363	0.2
71.04982	1.9
73.02906	2.3
79.05467	0.7
81.03408	7.3
81.07049	0.9
83.04960	1.6
83.08623	1.0
85.02895	12.6
85.06499	0.2
87.04444	0.8
91.05453	0.7
93.07032	0.9
95.04971	1.6
95.08591	0.7
97.02881	6.8
97.06507	0.4
98.21529	0.4
98.58527	0.2
99.04446	12.6
103.03931	6.3
105.07021	1.2
107.08572	1.2
109.02867	13.5
109.06507	1.5
109.10130	0.5
110.03198	0.3
111.04441	0.4
111.08080	0.3
115.03930	0.6
117.07043	0.2
119.04940	0.3
119.08558	1.0
121.02895	0.2
121.06484	0.3
121.10131	1.2
123.04400	0.2
123.08057	2.0
123.11706	0.4
125.02322	0.4
125.09602	0.5
125.11481	0.2
127.03902	100.0
128.04228	1.0
129.04372	0.2
131.08554	0.8
133.10123	2.3
135.04341	0.2
135.08049	0.8
135.11736	0.3
139.03854	0.2
145.04938	10.0
145.10095	0.3
147.04408	0.5
147.08058	0.2
147.11676	1.2
149.09593	1.0
149.13255	0.2
149.22316	0.2
150.10344	0.6
151.03896	0.4
151.07555	0.2
151.11156	0.3
153.09097	0.7
157.04932	0.5
161.05977	0.2
163.03889	0.2
163.06015	2.4
163.14853	0.3
165.12747	1.9
167.06985	0.8
169.04953	1.2
171.10167	0.2
173.13257	1.4
175.03972	0.4
175.14767	0.2
177.05463	0.2
181.04961	0.2
187.05994	4.6
187.35374	0.2
189.05589	0.2
189.12779	0.3
191.14291	5.3
193.04869	0.4
194.71646	0.2
199.06017	0.3
205.05122	0.4
205.06978	1.9
207.06529	0.5
207.13780	0.4
209.08084	0.7
209.15350	4.0
211.05995	0.5
227.09071	0.3
227.16405	1.7
229.07022	0.7
235.06058	0.7
241.41055	0.2
245.10249	0.6
247.08139	0.5
253.07028	2.9
271.08096	6.9
285.07599	0.2
289.09137	4.8
307.10330	1.0
313.09344	0.4
331.10175	0.4
349.11362	0.4
373.11151	0.2
379.10190	0.7
397.11139	1.6
415.12314	4.6
433.13345	3.4
451.14536	1.4
541.15625	0.7
577.17816	0.9
761.76672	0.2
803.34497	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	801.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.8
57.07069	0.3
57.78443	0.2
59.04997	0.5
59.83776	0.2
61.02920	0.6
61.18521	0.2
61.83390	0.2
63.49726	0.3
65.03946	1.1
67.05485	1.8
69.03066	0.4
69.03424	6.8
69.07037	0.4
70.55882	0.5
71.04984	2.0
73.02909	1.5
77.03941	0.5
78.04716	0.2
79.05492	0.4
81.03413	6.8
81.07049	0.8
83.01328	0.3
83.04984	1.3
85.02899	12.6
85.06550	0.9
85.22340	0.2
87.04468	0.6
89.03923	0.5
91.05475	15.7
92.05814	0.3
93.07043	1.0
95.04960	1.0
95.08599	6.3
97.02884	7.6
99.04446	11.7
103.03930	6.2
103.05453	0.7
105.03372	0.4
105.07026	2.1
107.04944	0.6
107.08579	1.3
109.02873	12.9
109.06514	0.9
109.10125	0.4
111.04400	0.4
111.07999	0.2
113.06012	0.5
115.03930	0.6
115.05414	1.2
117.07017	1.7
118.04195	0.3
119.04935	22.2
119.08587	2.0
120.05280	0.7
121.02859	2.6
121.06521	0.5
121.10162	1.4
123.04444	0.5
123.08061	3.3
125.02326	0.2
127.03908	100.0
128.04254	1.0
129.03380	0.4
129.06964	0.3
131.04930	0.5
131.08563	0.5
132.02036	0.7
133.02805	0.3
133.06471	0.9
133.10106	1.0
135.04396	0.5
135.08023	0.4
135.11682	0.8
137.05959	0.3
137.09605	1.0
143.08542	0.3
145.02911	0.6
145.04945	9.4
145.06459	2.4
145.10121	0.6
146.03571	0.3
147.04399	20.2
147.08028	1.0
147.11656	1.7
148.04764	0.8
149.02342	0.7
149.05980	0.4
149.09610	11.1
151.03830	0.3
151.07532	0.7
153.01819	0.3
153.05453	0.3
155.06044	0.3
156.09332	0.6
157.03957	1.4
157.70377	0.3
159.04384	0.4
159.08000	0.4
161.05939	0.7
161.09669	0.3
161.13226	1.7
163.03899	0.6
163.06038	2.4
163.11162	0.9
164.04678	0.6
165.01692	0.2
165.05635	0.3
165.09117	0.3
165.12746	0.9
167.07037	1.0
169.04897	1.1
171.04263	0.3
171.11650	1.1
173.06012	0.9
174.10341	1.5
175.03894	29.6
176.04279	0.9
177.05402	0.5
179.07042	1.7
179.14223	0.3
183.02866	0.3
187.06026	3.6
189.05394	1.2
189.12740	7.3
191.03386	0.9
191.07004	0.6
191.14284	0.5
193.08591	0.3
195.02803	0.3
199.06047	0.3
203.03363	0.5
205.04935	0.7
205.07034	2.4
205.08694	0.4
207.06516	40.6
207.13795	19.2
208.06856	1.6
208.14156	0.4
209.07973	0.5
211.05959	0.4
217.04997	2.1
219.02986	0.4
221.04443	0.3
225.14903	0.5
229.07106	0.7
231.06490	0.8
235.05951	1.2
245.10162	0.4
247.08051	0.5
249.07552	3.0
253.06960	1.8
256.07153	0.4
271.06033	0.4
271.08148	5.5
273.07489	0.3
273.14883	0.2
279.06360	0.3
281.07993	0.6
283.06003	2.0
284.06686	1.4
285.07455	0.4
289.06088	0.4
289.09140	5.3
294.05173	1.0
295.05911	3.5
296.06430	0.5
297.07523	0.8
307.05948	2.8
307.10080	1.1
308.06723	1.5
309.07483	2.0
310.07825	0.2
313.06998	9.2
314.07227	0.5
319.05814	0.6
321.07593	1.3
322.08356	0.3
323.09000	0.5
325.07074	4.0
331.10269	0.5
333.07330	0.4
335.09030	0.3
337.07074	6.3
338.07211	0.5
339.08435	0.4
343.08505	0.2
347.09048	0.5
349.06952	1.7
349.11304	0.7
351.08731	0.8
355.07990	1.2
361.06961	0.4
363.08411	0.4
365.10376	0.2
367.08148	0.8
369.11688	1.6
369.18716	0.3
373.07004	0.3
375.08664	0.4
379.07999	2.4
391.08020	0.9
397.10352	0.9
403.07950	1.1
409.09015	0.8
415.11176	4.1
416.10422	0.4
421.09094	1.7
433.11307	5.7
434.11426	0.4
439.10037	1.1
451.14197	0.9
457.11240	4.9
458.11569	0.4
475.12408	1.5
477.21390	0.4
481.11206	0.7
495.21710	0.3
499.11884	0.7
511.12454	0.4
523.11884	0.8
529.12164	0.3
541.13171	0.7
543.13013	1.1
559.14209	0.9
561.13409	1.2
577.15741	1.0
595.16388	0.3
621.24982	0.3
639.17188	1.7
645.15997	1.1
663.16901	1.5
681.18018	4.3
682.17896	0.8
747.18109	0.3
765.19281	0.3
783.20850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.04997	0.2
60.10335	0.1
61.02908	0.5
65.03935	0.2
67.05487	0.3
69.03418	4.7
69.07060	0.2
70.06582	0.3
70.69938	0.1
70.88737	0.1
70.89085	0.3
71.01353	0.2
71.04984	1.4
72.08131	0.2
73.02490	0.1
73.02907	2.1
79.05471	0.3
81.03409	6.7
81.07040	0.3
83.01328	0.2
83.04967	1.2
83.08601	0.1
84.08150	0.2
85.02894	11.2
85.06492	0.1
86.09671	0.1
87.04453	0.6
91.03927	0.2
91.05481	0.6
93.07027	0.3
95.04958	0.6
95.08582	0.3
97.02879	6.4
97.06541	0.2
99.04441	11.5
100.04851	0.1
101.02405	0.2
103.03925	6.6
105.03367	0.1
105.07010	0.5
107.04928	0.4
107.08582	0.5
109.02865	15.0
109.06515	0.4
109.10107	0.1
110.05286	0.1
111.04435	0.5
111.08031	0.1
112.07594	0.1
115.03913	0.6
115.05459	0.2
117.05437	0.1
117.06981	0.1
118.04134	0.1
119.04946	0.3
119.08543	0.3
121.02850	0.3
121.06512	0.4
121.10138	0.4
123.04447	0.6
123.08055	4.1
124.07616	0.1
125.02329	0.4
127.03899	100.0
128.04233	0.9
129.05447	0.1
131.08566	0.2
133.06474	0.2
133.10091	0.3
135.04362	0.2
135.08029	0.2
135.11681	0.2
137.02316	0.2
137.05994	0.3
137.09549	0.1
138.05479	0.1
139.03885	0.3
139.07530	0.1
141.05406	0.1
143.03497	0.1
145.04938	9.8
145.10091	0.2
147.04381	0.6
147.08063	0.1
147.11646	0.3
149.05945	0.3
149.09569	1.0
151.03883	0.4
151.07504	0.4
153.01805	0.6
153.05424	0.2
155.03394	0.1
157.04922	0.4
159.04439	0.1
159.08020	0.1
159.11621	0.1
161.05978	0.3
161.13182	0.2
163.03880	0.3
163.05992	2.1
163.07370	0.2
163.11162	0.2
165.05396	0.2
165.09093	0.3
165.12759	0.1
167.07065	1.0
168.06564	0.1
169.04938	1.2
170.02116	0.1
173.04456	0.1
173.05949	0.2
175.03822	0.5
175.11232	0.1
175.14972	0.1
177.05467	0.4
181.04951	0.2
181.12173	0.1
187.05995	4.0
187.07660	0.2
189.05510	0.4
189.12714	0.5
191.07014	0.2
193.04938	0.5
195.06483	0.1
199.05989	0.4
205.04990	0.4
205.07062	1.6
205.08817	0.1
205.12128	0.1
207.06459	0.9
207.13777	2.9
209.08043	0.6
211.05852	0.5
213.05423	0.1
215.05431	0.2
217.04994	0.4
223.05917	0.1
225.07559	0.1
225.14793	0.7
227.09174	0.3
228.77744	0.1
229.06969	0.9
230.26820	0.1
235.05971	1.3
245.10179	0.3
247.08156	0.3
253.07028	3.1
255.06548	0.1
269.04437	0.6
270.05176	2.1
271.08136	7.2
272.08423	0.1
285.07538	9.5
286.07739	0.5
289.09137	4.1
289.12387	0.2
295.05826	0.1
307.05847	0.2
307.10199	0.6
308.06348	0.1
313.09094	0.4
324.06369	0.1
327.08124	0.2
331.10120	0.5
337.07031	0.2
339.08606	0.2
349.11237	0.6
353.10217	0.2
361.09195	0.2
373.11026	0.2
376.92059	0.1
379.10522	0.7
389.12271	0.1
397.11337	1.6
415.12305	4.0
433.13403	2.4
451.14169	0.8
459.30911	0.1
492.29346	0.1
530.68164	0.1
541.15717	0.5
559.17108	0.1
577.17474	0.7
621.24475	0.1
801.24103	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	801.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
57.07070	0.3
59.04973	0.4
61.02912	0.5
65.03936	0.3
67.05498	2.3
69.03422	5.9
69.07050	0.2
69.40173	0.7
69.40595	0.4
70.06579	0.3
71.01341	0.2
71.04987	2.1
71.15034	0.1
72.08137	0.4
72.38382	0.1
73.02490	0.1
73.02908	2.8
79.05493	0.3
81.03411	8.6
81.07056	0.6
83.01353	0.2
83.04980	1.7
84.08171	0.3
85.02895	13.8
85.06532	1.0
86.09711	0.1
87.04453	0.5
91.03954	0.2
91.05468	1.3
93.07027	1.2
95.04964	0.8
95.08600	7.3
97.02883	8.5
97.06518	0.3
99.04443	13.5
100.04804	0.2
101.02373	0.2
103.03931	7.8
105.07022	1.4
107.04955	0.4
107.08576	1.2
109.02867	18.5
109.06512	0.5
109.10127	0.3
110.03708	0.2
111.04457	0.6
113.06016	0.8
115.03913	0.6
117.06980	0.4
119.04942	0.8
119.08569	2.0
121.02842	0.4
121.06504	0.5
121.10123	1.0
123.04418	0.5
123.08056	3.1
123.11687	0.3
125.02330	0.5
126.02980	0.1
127.03902	100.0
128.04250	0.8
131.08556	0.5
133.06430	0.6
133.10103	0.8
135.04390	0.3
135.08057	0.3
135.11674	1.0
137.02313	0.7
137.05960	0.4
137.09610	0.5
137.13234	0.1
138.05379	0.1
139.03883	0.2
142.07700	0.1
143.03453	0.2
143.04895	0.1
143.08603	0.2
145.04944	10.0
145.10112	0.3
147.04416	1.1
147.08023	0.4
147.11678	1.1
148.04698	0.2
149.06027	0.2
149.09601	5.7
151.03903	0.7
151.07535	0.6
151.11163	0.1
151.14822	0.3
153.01814	0.5
153.05475	0.2
155.03409	0.2
156.09352	0.4
157.04942	0.4
159.08022	0.2
159.11656	0.2
160.08743	0.1
161.05969	0.4
161.09566	0.2
161.13243	1.4
163.03894	0.4
163.06012	2.3
163.07387	0.2
163.11148	0.7
165.05518	0.2
165.09091	0.2
165.12732	0.6
167.07011	0.6
168.06499	0.2
169.04938	1.2
171.11662	0.6
173.04436	0.3
173.09525	0.1
174.10356	1.0
175.03876	1.1
175.11180	0.1
177.05461	0.4
179.07021	0.3
179.14255	0.2
181.04950	0.4
187.05997	4.7
187.11095	0.1
189.05406	0.5
189.12733	5.2
191.07013	0.3
191.14313	0.7
193.04874	0.4
199.05994	0.4
205.05092	0.3
205.06993	1.9
205.08727	0.1
207.06505	2.2
207.13785	13.3
208.14075	0.2
209.08046	0.8
211.05995	0.7
214.09558	0.1
217.04962	0.5
218.11800	0.1
225.07663	0.2
225.14838	0.2
227.09082	0.2
229.06961	1.0
233.08018	0.1
235.05978	1.3
237.02797	0.1
245.10210	0.4
247.08224	0.4
249.14850	0.1
253.07057	3.6
271.08173	7.7
283.06046	0.2
285.07535	0.3
289.09152	4.8
301.07211	0.2
307.06281	0.1
307.10037	0.7
313.09128	0.5
315.15768	0.2
319.07993	0.2
331.10220	0.5
349.07291	0.2
349.11246	0.5
369.19046	0.3
373.11038	0.2
379.10300	0.8
397.11227	2.1
415.12341	4.6
433.13416	2.6
451.14426	1.1
459.20166	0.1
477.20984	0.4
494.89691	0.1
541.15320	0.3
559.16339	0.2
577.17615	0.5
801.29340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.04988	0.3
61.02908	0.4
65.03910	0.2
67.05495	1.3
69.03424	5.4
69.07043	0.5
70.06578	0.6
70.87038	0.3
70.87415	0.3
71.01341	0.2
71.04982	1.6
72.08129	0.3
73.02912	2.3
76.89165	0.1
77.03914	0.2
79.05477	0.6
81.03413	7.3
81.07044	1.2
83.01315	0.3
83.04971	1.8
83.08583	0.3
84.08134	0.5
85.02898	12.8
85.06515	0.4
86.09678	0.4
87.04462	1.0
91.05478	0.7
93.07047	0.8
95.04947	0.9
95.08592	2.1
97.02883	8.4
97.06528	0.8
98.09682	0.2
99.04446	11.4
99.08076	0.3
101.02363	0.2
101.05992	0.3
103.03934	6.4
103.05405	0.3
105.03357	0.2
105.07016	0.9
107.04967	0.7
107.08582	1.5
109.02868	15.4
109.06490	0.9
109.10131	1.4
110.03194	0.2
111.04454	0.8
111.08054	0.4
115.03936	0.6
115.07554	0.3
117.05508	0.2
117.07032	0.3
119.04925	0.8
119.08576	1.2
121.02874	0.2
121.06503	0.9
121.10126	1.5
122.07288	0.9
123.04441	0.9
123.08062	4.8
123.11700	0.2
125.02361	0.3
125.05941	0.4
125.09630	0.6
127.03904	100.0
128.04230	1.2
131.04884	0.3
131.08571	0.2
133.06467	0.4
133.10170	0.8
133.11035	0.1
135.04387	0.3
135.08044	0.4
135.11684	0.4
137.02301	0.2
137.05969	0.7
137.09605	10.7
139.03862	0.2
139.11172	2.1
141.09062	0.2
143.08571	0.3
145.04944	9.8
145.10086	0.4
146.05307	0.2
147.04396	1.1
147.11685	0.5
148.04750	0.2
149.05968	0.3
149.09610	1.6
151.03885	0.7
151.07538	1.8
151.11192	0.4
153.01819	0.3
153.09076	0.2
157.04964	0.3
159.08046	0.2
161.05997	0.3
161.09569	0.3
161.13242	0.5
163.03923	0.3
163.06010	2.4
163.07443	0.2
163.11140	0.8
165.05540	0.3
165.09100	0.5
165.12773	0.5
167.07037	1.8
167.10664	0.5
168.06615	0.2
169.04927	1.0
169.08592	0.8
171.11678	0.4
173.04526	0.2
173.05936	0.2
173.13199	0.2
175.03918	0.6
175.07475	0.2
175.14844	0.2
177.05406	0.5
179.07111	0.2
179.14288	0.9
181.05011	0.4
181.12221	0.7
187.06007	4.1
187.07652	0.3
188.64018	0.1
189.05473	0.3
189.12758	1.0
191.03493	0.2
191.06979	0.3
191.14336	0.1
193.04959	0.4
193.08514	0.2
199.05995	0.5
205.04982	0.5
205.07077	2.1
205.08812	0.2
205.12167	0.2
207.06506	1.2
207.13785	5.9
209.08092	0.6
209.15315	0.3
211.06012	0.5
217.05037	0.3
225.14839	4.9
229.06982	1.0
235.05943	1.1
245.10185	0.3
247.08081	0.4
253.04449	0.2
253.07033	3.0
255.06517	0.4
256.06821	0.2
265.08673	0.2
269.04437	0.2
271.08133	7.7
271.38791	0.2
285.07605	0.5
289.09177	4.7
289.12378	0.2
290.09793	0.1
307.06821	0.1
307.10110	0.8
313.09265	0.5
315.08783	0.2
325.07187	0.2
331.10367	0.3
337.06958	0.2
339.08636	0.2
349.07379	0.2
349.11234	0.7
351.08936	0.2
353.10046	0.2
361.87646	0.1
373.11325	0.2
379.10379	0.7
397.11264	1.9
415.12369	4.0
416.12512	0.3
433.13437	2.5
434.13708	0.2
451.14371	0.9
541.15594	0.3
577.17560	0.6
801.26514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
57.07069	0.5
59.04999	0.4
61.02919	0.6
65.03934	3.7
66.72850	0.3
67.05501	1.4
69.03420	6.0
69.43200	3.0
71.04990	2.0
72.55616	0.4
73.02901	1.9
76.03146	0.4
77.03930	1.1
79.05469	1.1
80.08198	0.4
81.03410	6.8
81.07068	0.7
81.24849	0.4
83.04974	1.3
85.02897	12.9
87.04473	0.7
89.03908	1.1
91.05472	42.2
92.05789	0.5
93.07043	1.1
95.04962	1.6
95.08604	4.9
97.02886	6.3
99.04449	9.7
99.05094	0.7
103.03928	6.2
103.05428	1.9
105.03391	1.2
105.07005	2.7
107.04938	0.9
107.08587	1.3
109.02867	12.1
109.06487	0.8
111.04462	0.6
115.03947	0.5
115.05467	2.3
115.06174	0.4
117.03304	0.4
117.05568	0.4
117.07008	4.8
118.04162	1.0
119.04932	60.1
119.08551	2.4
120.05286	0.7
121.02861	6.6
121.06500	0.9
121.10127	1.4
122.03654	0.7
123.04420	0.7
123.08067	2.5
125.02305	0.4
127.03904	97.4
128.06213	0.5
129.03366	1.1
129.06934	0.5
131.04897	1.4
131.08586	0.7
132.02066	2.5
133.02829	0.9
133.06480	1.3
133.10115	1.0
135.04388	1.6
135.08095	0.5
135.11713	1.3
136.05197	1.1
137.05968	0.4
137.09573	0.5
143.08562	0.6
145.02896	2.4
145.04956	7.9
145.06470	7.0
145.10124	0.8
146.03534	0.5
147.04393	54.6
147.11644	1.7
149.02327	1.6
149.05994	0.6
149.09612	9.2
150.03114	0.6
151.07526	0.6
155.06035	1.2
157.03931	3.9
157.05008	0.5
159.04413	0.7
161.05957	1.7
161.13223	1.5
163.03891	0.9
163.05965	2.6
163.11180	0.8
164.04727	2.2
165.01804	0.6
165.12654	0.4
167.06985	1.6
169.04907	1.0
171.04391	0.7
171.11710	0.8
173.05971	3.2
174.10397	1.2
175.03886	83.5
176.04340	1.0
177.01849	0.5
177.05461	0.7
178.02490	0.4
179.06996	3.8
179.14267	0.5
187.04225	0.7
187.06015	4.3
189.01790	1.0
189.05412	3.1
189.12727	7.0
191.03366	1.8
191.06944	0.7
191.14296	0.9
192.04105	1.0
193.04951	0.5
193.08600	1.0
195.02919	0.9
197.06038	0.4
201.05450	0.4
203.03331	0.7
203.06836	0.4
205.04897	1.0
205.07013	1.4
205.08719	0.7
207.06508	100.0
207.13774	16.4
208.06889	1.2
209.04414	0.6
209.07999	0.4
213.05467	0.5
217.04939	6.1
219.02817	1.3
219.06555	0.8
221.04349	0.6
221.08029	0.4
223.02243	0.4
225.14528	0.5
227.07051	0.4
227.09201	0.5
229.04974	0.5
229.06978	0.8
231.02940	0.6
231.06543	3.3
233.04385	0.4
235.05913	1.8
243.06609	0.5
249.07552	9.3
253.07074	1.7
255.06471	0.6
256.07440	0.5
267.06470	0.5
268.07294	0.8
269.07950	0.5
271.06070	0.6
271.08218	5.6
279.06482	0.8
280.07193	0.8
281.08047	1.0
283.05988	5.1
284.06738	3.6
285.07220	0.5
289.09131	4.6
294.05121	2.4
295.05969	10.0
296.06732	1.1
297.07639	1.8
307.06027	8.7
307.10028	1.4
308.06665	3.5
309.07544	6.5
310.07776	0.4
313.07007	23.2
315.08646	0.8
319.05927	1.4
320.06671	0.4
321.07489	4.4
322.08365	1.1
323.05362	0.9
323.08966	1.5
325.07031	11.7
333.07574	1.4
335.08978	1.1
337.07010	18.4
339.08618	0.7
343.08307	0.5
345.07642	0.5
347.05353	0.5
347.09198	1.7
349.07126	3.9
349.10980	0.8
351.08173	2.4
355.08167	3.6
361.06964	2.3
363.08533	0.7
365.10309	0.8
367.08041	1.7
369.11807	4.6
373.06873	0.5
375.08472	1.3
377.06686	0.6
379.08051	6.4
391.08115	3.2
393.09668	0.6
397.09067	3.2
403.08054	2.9
409.09180	3.1
415.10080	12.0
416.10147	0.5
421.09055	4.4
427.09854	0.6
429.11499	0.9
433.11215	15.0
439.10031	3.4
445.09393	0.5
457.11258	13.7
458.11688	0.6
463.10007	0.8
475.12347	4.9
481.11368	2.4
487.10431	0.4
499.12521	1.9
511.12021	1.3
523.12250	2.3
525.11487	0.8
529.12213	1.1
541.13361	2.7
543.13019	2.5
559.14526	2.1
561.13898	4.6
577.15765	3.3
595.16364	1.0
609.13794	0.8
621.14929	0.4
627.14575	0.6
639.16925	2.0
645.15637	3.0
663.17035	4.9
681.18048	14.2
682.17511	0.8
747.19159	0.5
765.19257	0.8
783.20758	1.6
801.21381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
64.53015	0.3
64.53650	0.2
67.05503	0.8
69.03428	0.6
69.07064	0.7
70.06597	0.3
71.04956	0.3
79.05480	0.6
81.03433	0.6
81.07056	1.1
85.02896	1.3
91.05492	0.6
93.07056	0.9
95.01104	0.4
95.04991	0.8
95.08614	1.1
97.02905	0.7
97.06561	0.3
98.21478	0.6
105.07034	1.0
107.04940	0.3
107.08601	0.8
109.02851	0.5
109.10162	0.5
112.83665	0.3
113.02177	0.3
119.04875	0.3
119.08595	0.7
121.06532	0.4
121.10145	0.7
123.04432	0.7
123.50555	0.3
127.03905	1.3
133.06543	0.3
133.10168	0.5
135.11806	0.4
137.05989	0.4
142.08676	0.4
145.02821	0.5
145.10085	0.4
147.04433	0.7
149.06009	0.4
151.07564	0.3
159.11629	0.4
161.05885	0.5
161.13304	0.3
163.03867	1.5
163.07573	0.3
167.07031	3.1
175.03836	0.3
175.14693	0.4
176.04512	0.8
179.03473	0.3
179.10640	0.4
184.04962	1.6
185.04248	2.2
185.05739	0.7
187.03711	0.3
189.05215	17.1
190.06009	0.7
191.08316	0.3
197.11827	0.8
201.05252	2.2
202.06056	2.2
203.06737	1.8
203.17978	0.4
207.06500	0.3
215.06773	8.2
215.08777	0.4
216.07559	16.5
217.04845	0.7
217.08330	4.1
219.06383	1.3
229.08328	4.6
232.07065	6.0
233.07806	5.6
234.08722	0.8
245.07904	1.0
247.09500	0.3
257.10416	0.4
259.09592	0.4
273.09955	0.4
283.05927	0.5
325.07318	0.5
339.08701	0.4
348.12149	0.4
352.11252	0.8
365.12070	8.5
379.13626	25.9
381.12503	0.5
395.13168	3.3
397.16833	0.5
400.15067	0.5
411.14359	1.6
412.14832	0.5
413.15717	4.6
419.14645	0.3
425.15778	1.5
426.16608	1.2
427.17361	11.3
429.14899	0.5
439.17215	3.2
443.16696	4.5
559.21564	0.5
575.20844	2.7
589.22485	9.4
590.23633	0.3
605.22229	1.4
637.26141	5.8
682.97528	0.3
799.31396	100.0
800.31635	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	799.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51835	1.3
63.26550	1.3
65.03936	1.8
69.03418	2.4
70.06298	1.3
70.06592	14.1
70.21049	3.5
70.21449	2.5
72.08150	100.0
73.02905	1.6
73.08505	1.4
80.26035	1.4
81.03400	2.5
84.08139	1.5
85.02885	5.6
88.50883	1.6
89.10774	11.1
89.47457	1.5
91.05476	4.7
93.03376	3.8
95.04959	3.8
97.02877	8.4
98.06044	11.2
98.21437	1.8
103.05453	1.3
107.04948	13.4
108.14856	1.3
109.02867	3.7
110.02390	4.3
111.04423	4.1
115.08688	9.3
119.04932	9.4
121.02856	20.2
123.04416	2.7
125.02393	1.4
127.03892	5.5
128.30026	1.6
131.04901	4.3
133.06482	2.0
135.04408	4.8
137.02301	1.9
137.05902	1.6
139.03885	5.1
143.34096	1.3
145.06451	1.8
147.04401	55.9
148.04826	2.1
148.44667	1.1
149.05980	2.1
151.03848	2.2
151.08601	3.4
152.07074	3.2
153.01834	3.0
154.05826	1.3
159.04393	2.9
161.05917	2.9
163.03937	4.1
165.01799	2.3
167.07054	1.7
173.02303	1.8
173.05807	1.5
175.03931	3.9
177.01796	2.5
177.05420	4.8
179.03377	2.1
183.02852	6.6
187.03854	3.3
189.01860	4.1
191.03384	5.9
191.08565	2.4
193.04790	1.5
194.07281	2.6
195.02882	16.3
197.05971	1.9
199.07581	11.0
201.01865	1.8
201.05377	1.8
203.03389	5.7
205.04964	3.9
207.02899	11.7
207.08098	3.8
209.04375	1.8
209.09578	2.6
211.07552	2.4
213.05470	1.9
215.03352	3.6
217.04955	2.5
217.13383	3.9
218.07256	2.7
218.11716	8.7
219.02899	13.4
219.08052	5.5
221.04376	2.6
223.02167	1.4
223.07448	7.5
225.03929	13.5
229.04932	3.4
231.02843	7.3
231.08134	1.7
233.04420	5.8
235.07541	10.3
235.14417	13.8
237.03979	12.3
237.09082	12.7
241.05074	1.8
243.02844	6.3
245.04466	5.4
247.07634	13.0
249.03899	13.4
249.09096	1.9
255.03036	1.9
257.04434	2.0
261.03918	25.5
263.07083	20.0
263.09705	2.5
264.07574	2.0
264.10214	5.4
265.08578	35.7
265.11392	1.9
268.09607	3.0
269.04590	1.6
271.05908	1.9
273.03983	10.9
279.04950	8.1
280.09760	11.3
283.06024	1.8
283.46115	1.6
285.03952	5.5
291.05179	12.2
292.09683	5.0
295.05981	2.8
299.05728	2.4
303.05103	3.5
305.08112	5.0
307.05972	1.8
309.07739	12.0
315.04962	7.0
320.08899	1.7
324.13394	1.6
325.07086	3.5
327.04993	2.7
329.08481	1.6
333.06958	2.4
334.14343	5.5
336.15930	3.4
337.06891	3.7
345.05984	3.3
349.06940	1.9
351.16888	2.1
353.18463	1.6
357.06229	1.7
361.15451	3.2
362.13690	7.0
363.07339	1.7
375.07465	2.6
379.08264	3.8
379.16534	27.0
391.08188	2.3
393.07773	2.7
409.09921	1.7
411.09094	5.8
429.10202	2.4
450.75433	1.5
451.10477	2.0
511.12732	1.9
541.18811	2.1
571.20734	2.7
573.14087	2.1
589.21863	9.8
595.20038	2.0
613.21826	2.9
625.21265	4.8
643.22882	12.7
649.23517	2.2
655.22223	2.2
661.23883	18.6
667.23389	2.3
673.23285	3.6
675.16638	2.8
679.24683	32.1
685.23511	2.6
691.24762	12.1
709.25696	15.8
715.24915	2.3
721.71594	1.6
727.24438	7.5
745.25909	14.7
763.27100	17.1
781.28009	20.3
799.28802	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	797.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.3
61.02920	6.2
67.05502	5.4
69.03430	3.7
69.07070	1.7
71.01381	0.7
71.61267	1.1
73.02901	4.2
79.05490	4.5
81.03423	1.2
81.07055	5.1
85.02888	4.5
91.03950	3.1
91.05482	2.3
93.07046	3.6
95.04969	0.7
95.08589	3.8
97.02881	4.7
99.04458	1.2
99.71172	0.5
101.02375	1.4
105.07032	0.6
107.08611	2.2
109.10175	1.9
117.07021	0.7
119.08577	1.3
121.10165	1.5
127.03931	1.1
131.08577	1.2
133.10173	1.2
135.11729	0.8
173.13338	0.7
174.30219	0.5
185.04118	0.5
185.48213	0.6
203.05278	0.6
206.42686	0.6
209.76704	0.6
243.08453	1.9
294.04242	0.7
335.25693	0.7
519.29291	10.8
554.15015	0.6
797.51660	100.0
798.52094	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	797.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.4
61.02905	0.2
62.42874	0.2
62.85742	0.2
65.03931	1.9
67.05505	1.1
68.99741	0.2
69.03425	1.8
69.07069	0.5
71.02518	0.5
71.02864	0.3
71.04976	0.6
76.03173	0.2
77.03919	0.6
77.21276	0.2
79.05483	0.6
81.02969	0.4
81.03413	5.3
81.07047	1.3
83.04973	0.2
84.08160	0.2
85.02903	3.1
85.06534	0.2
85.07670	0.3
89.03921	0.8
91.05475	23.1
93.07047	0.9
95.04958	0.9
95.08588	0.7
97.02897	1.3
97.06520	0.3
99.04438	0.9
103.05456	0.6
105.03402	0.7
105.07019	1.3
107.04958	0.7
107.08595	1.0
109.02880	2.2
109.06546	0.3
109.10157	0.7
115.05452	0.2
117.03351	0.3
117.07043	0.3
118.04105	0.2
119.04938	33.2
119.08579	0.8
121.02870	0.6
121.06461	0.4
121.10155	0.7
123.04446	0.6
123.11729	0.3
125.05968	0.3
127.03911	1.9
128.06152	0.2
129.03369	0.5
131.04921	0.6
131.08554	0.4
132.02061	1.0
133.02841	0.8
133.10139	0.6
135.04422	0.8
135.11684	0.4
136.05177	0.5
137.05992	0.9
143.08559	0.5
145.02844	0.8
145.06319	0.2
145.10103	0.7
147.04401	28.6
147.11700	0.3
149.02335	1.2
149.05949	0.2
149.09616	0.5
149.13228	0.2
150.03108	0.6
151.03896	0.8
151.07590	0.4
157.03952	2.4
159.04411	0.6
159.11679	0.6
161.06015	0.4
161.09552	0.2
161.13301	0.2
162.03069	0.3
163.03944	0.5
163.07455	0.3
163.11217	0.3
164.04713	1.0
165.05466	0.9
165.09126	0.3
167.07045	1.8
167.08325	0.3
171.08136	0.3
171.11667	0.2
173.05974	0.3
173.09665	0.3
173.13257	0.2
175.03896	51.3
176.04353	0.4
177.05521	1.0
179.06990	2.7
181.04948	0.4
183.06441	0.2
187.11246	0.3
189.09013	0.3
191.03424	0.3
192.04170	1.2
199.07608	0.4
201.09117	0.6
203.07040	0.8
207.06514	100.0
208.06862	0.9
225.07532	0.5
227.07069	1.3
229.05055	0.5
233.11746	0.2
241.08730	0.4
245.83018	0.2
247.06007	0.4
255.06410	0.3
271.06015	0.8
289.08539	0.4
291.10052	0.3
293.08197	0.3
295.06284	0.3
307.05856	0.3
307.09628	0.6
311.09155	0.2
313.07129	0.6
321.07428	0.6
321.11142	0.4
323.09201	0.3
324.06299	2.8
325.07031	0.6
327.08588	0.5
332.10403	0.4
335.05505	0.4
335.09103	2.7
336.06204	0.7
337.07068	0.4
337.10684	0.3
337.14340	0.4
339.08585	6.5
339.12662	0.3
345.07440	0.3
346.08105	0.3
347.12872	0.3
349.07013	0.6
349.10712	0.5
350.07764	0.3
351.11050	6.0
357.09726	0.8
360.09894	1.3
361.10681	0.6
363.08588	4.0
364.09299	0.5
365.10132	0.5
365.14120	0.3
369.11807	5.8
370.12082	0.3
375.12338	1.7
377.10089	0.8
378.10992	5.1
393.13290	36.6
394.13568	0.7
411.14362	32.7
412.14786	0.6
429.15430	22.8
430.15869	0.4
455.35065	0.5
555.18384	0.9
573.19647	1.1
591.20538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.3
61.02918	0.4
65.03939	1.8
67.05481	1.0
68.99773	0.3
69.03423	2.3
69.07052	0.6
69.30912	3.0
69.31319	0.3
70.06571	0.5
71.01346	0.4
71.04980	0.8
72.08137	0.3
73.02904	0.4
76.03144	0.5
77.03938	0.6
78.95374	0.3
79.05479	0.9
81.02965	0.5
81.03410	6.2
81.07043	1.1
83.04936	0.5
84.08138	0.4
85.02409	0.4
85.02892	3.5
89.03895	0.9
91.05470	25.2
92.05791	0.3
93.07019	1.2
95.04950	0.9
95.08579	0.8
97.02898	1.7
97.06532	0.4
99.04449	0.7
103.05435	0.6
105.03365	0.7
105.06992	1.4
107.04918	0.9
107.08559	0.8
109.02865	2.3
109.06524	0.4
109.10151	0.9
115.07593	0.3
119.04929	38.2
119.08557	1.1
120.05241	0.3
121.02846	0.4
121.06476	0.6
121.10143	0.5
122.03645	0.5
123.04375	0.7
123.08045	0.3
125.05940	0.4
127.03930	2.1
129.03345	1.1
129.06889	0.3
131.04890	0.8
131.08585	0.5
132.02061	1.4
133.02809	0.8
133.06465	0.3
133.10106	0.8
133.90067	0.3
134.03580	0.5
134.44763	0.3
135.04391	0.8
135.11719	0.5
136.05228	0.6
136.06117	0.5
137.05974	0.7
145.02841	0.8
145.04930	0.4
145.06441	0.6
145.10110	0.8
147.04391	33.1
147.11644	0.4
148.04727	0.3
149.02322	1.2
149.05965	0.5
149.79460	0.3
151.03935	1.1
153.01801	0.7
157.03931	3.0
157.06520	0.3
157.09987	0.3
159.04361	0.4
159.11685	0.6
161.06024	0.3
163.03909	0.5
163.07506	0.5
163.11180	0.3
164.04684	1.4
165.09152	0.3
167.07051	1.3
173.05820	0.3
173.09612	0.4
173.13269	0.3
175.03883	56.9
176.04468	0.3
177.05449	1.0
179.07007	2.5
185.09593	0.3
191.03474	0.5
192.04211	0.8
193.04977	0.5
198.06769	0.3
199.07664	0.3
201.05412	0.4
203.06956	0.4
207.06500	100.0
208.06847	1.3
211.07640	0.5
213.03610	0.3
213.05487	0.7
213.09003	0.3
225.07504	0.6
227.07031	1.0
229.04985	0.4
229.08385	0.3
243.06502	0.4
247.05946	0.8
259.11270	0.3
267.06516	0.7
271.06113	0.7
279.06519	0.5
279.10022	0.5
284.15482	0.3
289.08423	0.3
292.15240	0.4
293.07996	0.4
295.05975	0.5
297.07642	0.3
303.10138	0.6
307.06012	0.4
307.09601	0.7
308.06738	0.4
309.07379	0.4
311.09122	0.3
313.06918	0.6
321.07510	0.9
321.11093	0.7
322.11948	0.4
323.05432	0.4
323.09055	0.8
324.06204	7.5
324.10001	0.5
325.07043	0.8
327.08398	0.6
331.09546	0.3
332.10699	0.4
335.09067	2.6
336.06229	1.7
336.09686	0.4
337.07025	1.3
339.08566	12.6
343.09671	0.5
345.07425	0.3
347.09003	0.4
349.07047	0.9
349.10657	0.4
350.07794	0.8
350.11493	0.6
351.11368	4.9
353.10236	0.7
357.09793	2.1
359.09052	0.8
360.09860	4.1
361.10532	0.6
363.08548	5.0
363.12924	0.4
364.09280	1.1
365.10114	1.8
365.14063	0.4
369.11923	5.1
375.12222	7.5
377.10208	0.7
378.10922	9.6
379.11548	0.7
393.13272	40.1
394.13385	0.7
396.12061	0.7
397.12387	0.4
411.14322	95.0
412.14664	1.7
429.15500	2.9
436.19751	0.4
555.18671	0.5
573.19623	8.3
574.19800	0.4
599.18774	0.5
738.22656	0.3
761.24213	2.8
779.24872	2.8
797.31879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.0
61.02889	1.9
65.03938	2.8
67.05500	8.5
68.99754	1.5
69.03430	11.6
69.07044	6.4
69.47096	12.0
70.06582	6.8
71.04965	5.3
72.08138	6.4
73.02884	2.3
79.05469	5.4
81.03411	14.4
81.07047	8.2
83.04971	3.7
83.08615	2.3
84.08129	4.2
85.02895	20.3
86.06039	1.9
86.09673	2.1
87.04440	2.0
91.05469	12.5
93.07022	8.4
94.06573	7.9
95.04985	7.0
95.08588	6.4
97.02898	17.6
97.06512	3.2
99.04431	5.2
100.07552	1.8
103.05427	1.6
105.03362	4.0
105.07030	9.2
106.06557	2.0
107.04935	4.4
107.08572	6.4
108.08098	6.3
109.02879	15.1
109.06503	3.7
109.10130	5.1
110.02395	1.9
111.04423	3.0
115.03905	1.8
117.07036	2.0
119.04947	10.0
119.08559	5.6
120.08099	4.0
121.02844	2.6
121.06470	3.5
121.10099	4.8
122.06026	16.8
123.04397	5.3
123.08073	1.7
123.11688	3.0
125.05932	1.9
127.03902	32.5
128.06183	1.9
129.06982	1.6
131.04932	4.0
131.08592	2.7
133.06474	3.1
133.10115	6.8
134.05991	4.6
135.08060	1.9
135.11687	2.1
136.07587	9.6
137.02341	2.0
137.05972	6.4
137.09615	1.8
138.05437	3.2
138.09123	2.5
139.03859	2.1
139.11185	1.7
140.07047	4.8
142.07729	2.0
143.08594	1.4
145.02829	4.1
145.04930	3.5
145.06528	2.2
145.10085	3.7
146.05969	4.4
147.04390	25.1
147.11658	4.2
148.04739	1.4
148.07524	10.0
149.05980	2.9
149.09601	2.0
150.09178	2.2
151.03865	4.7
151.07501	1.9
152.07100	1.9
153.01758	2.1
153.05486	1.9
157.06387	2.0
157.10088	1.7
159.11653	2.5
160.07516	1.4
161.05971	5.0
163.03825	3.1
163.07468	2.3
163.11157	1.5
164.06992	3.5
165.06912	1.5
166.08612	4.5
167.07030	20.8
168.07387	1.6
171.04407	3.2
173.05920	1.7
173.13150	3.9
174.05431	2.7
175.03841	6.4
175.07465	2.5
175.14801	2.5
176.07146	1.7
177.05453	9.8
181.04907	3.6
187.14798	1.4
191.10706	1.8
191.14381	1.6
193.04918	1.9
193.08594	4.6
195.02832	1.9
195.08015	9.2
195.10439	1.5
197.05887	1.6
197.11720	1.7
204.06480	1.9
205.08617	2.2
206.08208	1.5
207.06505	10.8
213.05472	4.3
213.09073	5.3
216.04152	2.8
218.11742	3.7
222.11440	2.7
223.08720	7.2
223.12247	6.5
224.13010	2.4
225.10214	23.7
225.13733	3.6
226.11006	3.0
227.11804	3.6
231.06497	16.8
231.10014	7.8
235.08640	6.4
235.12331	1.9
236.09396	5.2
237.10139	11.6
237.13715	6.9
238.10965	10.9
239.11797	21.9
240.12448	6.9
241.09720	2.6
241.13344	3.7
248.09494	5.2
248.13060	2.8
249.10219	11.1
249.13855	2.1
250.10976	18.8
251.08148	4.8
251.11765	60.6
252.12503	11.9
253.09671	2.0
253.13362	15.1
254.14040	2.7
255.06529	4.9
260.98862	1.8
263.08810	2.4
263.11768	34.7
264.08957	1.5
264.09720	1.4
264.12561	9.1
265.09747	10.1
265.13339	66.6
266.10593	6.9
266.14032	8.1
267.11472	7.4
267.14780	7.8
268.12137	1.9
269.12711	2.5
271.05978	5.7
275.11621	2.2
277.09705	6.6
277.13342	3.9
278.10715	6.4
279.11282	33.5
279.14316	2.7
280.11935	6.6
281.12814	9.1
283.06042	5.2
283.10800	10.5
283.13824	1.9
285.12326	2.2
291.11246	8.8
292.12000	2.8
293.12820	30.2
293.16043	3.1
294.13461	4.5
295.06055	3.3
295.10788	4.1
295.14410	8.4
296.11676	6.8
297.12323	12.7
298.13077	4.7
299.13821	7.0
301.07043	2.7
307.06070	2.3
307.10760	1.8
309.07303	2.1
309.08914	1.8
309.12320	18.5
310.13101	5.3
311.05420	1.7
311.13889	45.3
312.14529	3.1
313.06949	6.8
313.15396	7.4
317.18512	2.1
319.10712	5.9
320.11554	2.0
321.07690	1.6
321.12433	14.9
323.13876	2.4
324.05814	1.6
325.06989	3.9
325.11386	3.0
325.15369	3.3
327.08459	2.5
327.14240	1.9
335.09174	2.3
337.07449	2.7
337.11588	10.2
337.15128	2.0
338.12497	3.2
339.08786	4.0
339.13339	16.7
343.16656	2.2
349.07162	2.0
351.08920	2.9
351.13318	9.1
352.13901	2.2
353.10684	1.2
353.14905	26.8
355.16391	3.5
357.09195	1.6
357.14514	3.0
363.08298	2.0
363.13351	2.4
367.11725	8.5
369.14429	17.2
370.15112	2.7
371.11230	1.9
371.15985	36.2
372.16968	4.0
373.17279	1.6
379.12238	3.3
381.14545	7.1
383.15851	3.2
385.12888	3.2
386.18787	2.9
386.33472	1.6
395.15765	1.9
399.15237	1.6
400.16461	3.4
407.15829	1.5
411.15433	8.5
413.17023	22.4
414.18030	6.9
416.19617	6.6
427.09686	1.7
432.18930	5.9
434.20886	2.3
435.15561	2.8
437.17081	4.8
441.16629	7.2
442.17517	6.3
443.17978	5.4
447.15540	2.1
453.16382	5.0
455.18112	9.1
460.18625	12.5
462.19992	1.7
463.14948	3.0
465.16840	7.3
471.17545	15.2
473.19202	22.4
474.20151	13.6
478.19467	2.5
479.18155	1.9
480.21194	13.9
481.16010	6.9
482.16843	3.0
483.17719	14.3
492.21484	14.0
494.22638	2.9
497.19504	9.3
499.16644	5.1
501.18539	9.4
511.22961	3.8
512.22925	1.6
513.18597	14.5
514.19409	2.2
515.20184	41.6
516.21283	1.7
531.19733	21.2
532.20288	3.5
533.21234	59.7
534.22247	23.7
540.21466	1.8
542.21973	2.2
547.17896	4.3
558.22443	2.7
568.20557	6.7
576.23767	2.0
586.21820	20.4
588.22980	4.4
594.24121	3.3
600.23285	21.0
601.26385	11.2
604.22961	13.2
606.23749	3.1
615.27795	4.6
618.24420	40.5
619.25116	11.2
620.25775	4.1
622.24164	16.5
624.24921	4.4
636.25439	100.0
637.25903	7.6
638.27197	2.0
642.25806	2.0
654.26556	63.6
655.26978	6.2
656.28131	2.9
675.30280	1.8
709.28186	6.2
723.29938	6.1
727.29211	4.1
741.31445	13.4
745.30481	3.1
759.20734	1.9
759.32788	4.3
777.33740	9.4
795.26569	2.6
808.36633	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	792.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
55.05510	8.4
57.03186	0.5
57.03434	5.7
57.07060	1.8
61.02908	2.0
65.03937	1.4
67.05499	37.7
69.03421	0.6
69.06715	0.7
69.07058	9.5
70.97929	0.4
71.04983	0.7
71.08603	0.5
71.29956	0.9
71.30283	0.7
79.05486	21.9
81.07049	37.4
83.04955	1.3
83.08616	5.5
85.02885	2.2
85.06506	1.5
91.03922	0.8
91.05469	13.5
93.07035	27.9
95.04962	2.9
95.08598	31.9
97.02868	1.4
97.06519	1.5
97.10152	2.5
99.08070	0.9
105.07024	10.5
107.08584	16.5
109.06490	1.4
109.10146	17.7
111.08059	1.2
113.09619	0.7
117.07004	4.0
119.08569	10.2
121.10135	14.9
123.08044	1.1
123.11699	6.8
125.09603	0.9
129.06960	1.0
131.08549	7.4
133.10123	9.7
135.08044	0.9
135.11687	11.5
135.61134	0.5
137.09639	0.6
137.13254	1.8
139.11174	0.7
143.08533	1.2
145.10124	5.4
147.11667	7.8
149.09573	1.2
149.13251	6.8
151.11176	1.0
151.14790	0.7
157.10083	1.3
159.11679	6.5
161.13254	6.4
163.11113	0.7
163.14813	4.0
165.12823	0.7
171.11670	2.2
173.13243	7.5
175.14787	3.4
177.16371	1.9
183.11630	0.5
185.13228	2.0
187.14809	3.4
189.16393	0.9
191.17967	0.6
199.14798	1.4
201.16360	1.2
203.18001	0.6
219.17448	0.9
231.21059	1.2
233.22641	1.1
241.19540	3.7
243.21092	5.3
245.22655	0.8
257.19016	0.8
259.20523	8.9
261.22128	16.9
263.23666	2.0
273.22189	0.7
279.23132	1.1
285.22342	0.6
299.23618	0.9
315.23117	1.0
317.24762	4.2
333.24231	6.7
335.25769	100.0
336.26181	1.8
337.27377	10.8
353.27005	0.8
383.33218	0.7
503.42792	1.0
521.43158	2.3
529.39172	0.6
539.44604	1.4
595.47198	15.2
595.56982	0.8
613.48230	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04681	0.1
67.05500	0.1
69.03417	0.1
70.40452	0.1
70.40847	0.1
71.04971	0.1
78.04697	0.8
79.05487	0.6
81.03418	0.2
81.07090	0.1
81.53141	0.1
83.08545	0.1
85.02896	0.4
91.05470	0.4
93.03422	0.1
93.07009	0.3
95.03349	0.1
95.04968	0.3
95.08579	0.1
96.05714	0.1
97.02862	0.2
97.06505	0.1
103.05460	0.3
105.03363	0.1
105.07011	0.9
106.04146	0.3
107.04945	1.1
109.02856	0.1
109.06499	0.1
110.03632	0.1
113.09395	0.1
115.05448	0.2
118.04102	0.1
119.04942	0.1
121.06479	0.4
121.10107	0.1
122.03614	0.2
123.04411	2.2
124.05196	1.3
125.05956	0.1
127.03871	0.1
131.04871	0.1
132.05714	0.1
133.06470	1.3
134.03598	0.1
135.04379	0.1
135.08086	0.1
137.05960	0.3
143.05963	0.1
147.04388	0.2
147.08061	0.1
149.05975	0.7
151.03908	0.5
151.07469	0.1
152.04649	1.0
154.06180	0.1
160.05138	0.1
161.05965	1.1
163.07454	0.1
165.09068	0.1
166.06248	0.2
167.07016	100.0
168.07352	1.5
173.05936	0.1
173.96046	0.1
177.05560	0.1
178.06186	0.1
179.06973	0.4
181.08563	1.2
191.07123	0.1
193.08583	6.9
194.08904	0.1
195.10159	1.1
205.08566	0.1
207.10173	0.1
211.09630	17.3
212.09979	0.3
219.10101	0.2
253.10698	0.3
276.22641	0.1
362.11023	0.1
385.16583	0.2
399.71356	0.1
403.17377	0.8
411.14377	0.1
421.18576	0.2
452.17773	0.1
804.55670	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	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.7
55.05508	21.7
57.03175	1.8
57.03430	15.0
57.07060	2.0
59.05004	1.6
59.88260	1.4
60.03681	1.3
61.02902	3.3
65.03928	3.5
65.81360	1.2
67.05500	60.9
69.03428	6.3
69.07063	17.7
71.04989	15.5
71.11371	1.3
73.02908	2.1
79.05486	51.4
81.03413	38.6
81.07051	63.1
83.04986	6.6
83.08617	16.4
85.02898	4.3
85.06538	6.2
91.03929	1.4
91.05473	53.1
93.07040	52.3
94.62281	1.3
95.04965	19.4
95.08603	27.9
97.02908	3.6
97.06513	7.9
97.10159	11.7
98.20719	3.2
99.08071	3.2
103.05420	1.3
105.07023	50.3
107.04945	8.1
107.08582	27.3
109.02837	1.4
109.06522	5.7
109.10150	17.9
111.04411	1.5
111.08099	5.2
115.05476	1.9
117.07002	21.7
119.04934	2.0
119.08575	35.3
121.06522	4.9
121.10130	25.1
123.04414	3.8
123.08093	6.5
123.11714	7.9
123.33247	1.2
125.09624	11.4
127.03885	2.3
128.06206	3.0
129.07008	15.5
130.07785	2.1
131.08563	27.2
131.09512	2.2
133.06485	4.7
133.10118	31.0
135.08054	4.9
135.11687	11.2
141.07018	4.8
142.07800	2.2
143.08548	15.3
145.06474	2.6
145.10117	25.3
145.11142	2.4
147.08025	4.2
147.11667	23.3
149.09637	5.3
149.13234	6.4
151.11189	2.5
153.09122	2.5
155.08551	5.5
157.10124	15.7
159.08051	3.0
159.11681	20.6
161.09647	2.9
161.13245	10.0
163.11189	5.8
167.08571	1.8
169.10130	7.6
171.11635	13.0
173.09671	1.9
173.11848	2.2
173.13274	11.0
175.11200	4.0
175.14822	4.4
177.12787	3.7
179.08505	1.4
179.14201	1.6
181.10149	4.3
183.11690	7.5
183.13809	2.0
185.09599	1.4
185.13242	11.3
187.11183	1.4
187.13304	2.7
187.14842	4.0
189.09486	1.3
189.11208	5.6
193.10634	1.7
193.12154	7.9
195.11702	5.4
197.13277	5.9
199.13174	1.8
199.14835	4.3
201.12805	1.5
203.14296	3.2
209.13271	3.7
211.14827	3.5
215.14410	2.2
217.15843	2.3
219.17424	1.7
223.15004	2.0
227.12691	9.6
229.14359	3.9
241.19530	5.4
243.15891	3.0
254.96178	1.4
257.18985	5.0
259.20529	13.3
267.15872	16.5
269.17462	3.6
273.18756	1.6
274.09161	1.5
275.20117	5.5
283.15454	1.9
291.19589	2.1
299.23721	5.0
301.19733	9.1
315.23206	1.9
331.22665	1.8
333.24173	7.7
349.23779	10.1
405.31540	2.1
407.24103	1.9
415.30219	1.8
421.25870	5.6
433.30835	9.3
435.27359	5.5
449.29077	2.4
451.32184	9.5
455.29553	1.7
469.33185	5.4
471.32294	1.3
495.28915	1.8
499.34125	6.6
503.33664	2.8
507.34625	5.5
517.35217	16.7
525.35730	48.0
531.36761	2.2
541.34912	1.7
543.36768	100.0
544.36987	3.6
557.38361	11.4
567.36359	2.0
575.39447	22.2
633.38464	1.7
666.31006	1.4
687.40924	2.0
754.41394	1.6
769.58588	1.4
791.41010	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	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05505	19.2
57.03433	22.6
59.04992	2.6
64.06551	1.8
65.03948	3.1
65.77633	1.4
67.05165	2.9
67.05502	49.5
69.03414	3.7
69.07067	14.6
71.04987	6.6
71.62684	3.2
75.93703	1.5
79.05489	49.3
81.03415	83.2
81.07052	53.8
83.04984	7.8
83.08626	22.2
85.02919	4.0
85.06538	4.6
91.05473	48.0
92.12649	2.0
93.07039	52.5
95.04961	33.7
95.08598	41.0
97.02895	4.8
97.06524	6.7
97.10155	9.1
99.08094	2.9
105.07027	45.7
107.04296	1.5
107.04940	9.4
107.08585	33.3
109.06512	8.5
109.10140	16.8
111.04452	1.6
111.08073	8.8
115.05459	1.5
117.07011	15.9
119.08572	41.6
121.06519	5.5
121.10131	27.9
122.66354	1.5
123.04417	2.9
123.08047	6.2
123.11677	4.2
123.81829	1.5
125.09623	4.8
127.03930	2.2
128.06236	2.8
129.05531	1.8
129.06990	14.6
129.88101	1.6
131.08562	28.2
133.06482	3.1
133.10115	23.3
135.08047	2.4
135.11653	15.4
137.05963	1.9
137.09625	3.9
137.87068	1.8
141.06993	1.6
142.07770	2.6
143.08580	7.1
145.10114	17.6
147.04440	1.9
147.08133	2.9
147.11687	23.6
149.09612	6.2
149.13255	7.3
151.11145	3.5
153.07127	1.5
153.09077	1.8
155.08597	3.7
156.03613	1.7
157.10127	13.1
159.08165	2.5
159.11668	13.0
161.05984	1.8
161.09616	2.1
161.13269	6.9
163.11169	3.3
163.14789	1.7
165.12709	2.9
169.10126	5.6
171.11710	6.7
173.13266	7.6
175.11191	9.5
175.14792	3.6
177.12733	1.7
185.13268	5.7
187.14848	7.5
189.11179	2.3
193.12201	18.0
199.14821	4.6
201.16446	2.6
205.15865	4.6
211.13152	2.3
217.16003	2.0
219.17470	1.9
227.12756	6.2
241.19516	6.4
249.14789	3.7
259.20563	18.9
267.15903	100.0
267.50113	1.6
268.16269	2.1
273.14722	2.4
277.21603	22.0
283.20575	2.4
293.21167	2.3
299.23688	2.3
301.14252	3.2
303.16089	1.8
309.16949	3.7
319.15277	2.4
333.24280	11.3
351.25284	50.3
351.51035	1.6
403.24664	1.9
421.25864	3.9
433.30942	2.8
451.32428	3.8
461.28909	4.7
469.32840	3.7
473.38800	1.8
485.32617	4.8
503.33511	6.0
515.37158	3.2
525.35815	15.8
534.29401	4.5
543.36804	87.9
544.37177	2.5
561.37799	5.6
575.39319	2.8
585.37512	3.9
651.39270	2.4
669.39642	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	789.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	22.5
55.05301	2.7
55.05505	35.3
57.03428	21.3
57.07069	3.8
61.02906	12.6
65.03931	8.1
67.05500	99.2
69.03414	15.9
69.07059	39.8
69.30168	37.2
71.04968	8.5
73.02876	6.0
79.05482	77.6
79.85487	3.1
81.03410	15.4
81.07047	100.0
83.04963	12.5
83.08617	17.0
85.02890	12.8
85.06530	5.4
91.03966	3.4
91.05470	67.7
93.07034	89.4
95.04955	16.7
95.08598	72.1
97.02904	15.3
97.03416	3.1
97.06521	31.1
97.10143	11.4
99.08079	3.7
105.07018	63.9
107.04935	13.4
107.08583	52.7
109.02847	6.4
109.06516	14.6
109.10136	29.1
111.08075	13.3
115.05453	3.6
117.07005	34.2
119.08571	40.1
121.06409	5.9
121.10134	34.5
123.08075	9.1
123.11679	11.8
125.09599	9.8
127.03883	7.8
129.05461	3.4
129.06969	17.0
131.08553	44.5
133.10109	39.5
135.08029	8.1
135.11697	22.3
137.09587	6.7
139.11186	4.6
141.06964	5.9
143.08522	21.5
145.06418	3.9
145.10097	37.1
147.11691	27.9
149.09615	29.3
149.13254	10.3
151.11182	3.5
155.08557	12.6
157.10138	17.5
159.08075	3.9
159.11703	30.5
161.09645	4.0
161.13239	10.7
163.11153	11.4
169.10101	9.0
171.08070	4.0
171.11676	13.8
173.13246	18.2
175.14789	5.4
177.12798	3.7
181.10129	4.2
183.11627	8.6
185.13251	13.4
187.14783	5.1
189.11206	5.3
195.11627	6.4
197.13278	7.1
199.14882	5.8
201.12700	4.2
201.16333	6.0
203.14275	4.0
205.15862	6.4
209.13177	5.4
213.16527	3.6
217.15901	2.9
219.17377	6.1
221.13239	3.2
227.12743	13.0
229.19533	3.6
239.17909	11.4
247.20628	3.1
257.19012	18.0
259.20572	8.3
261.22128	8.1
275.20020	67.3
277.21646	4.6
293.21130	3.9
331.22830	3.5
333.24255	6.2
335.21973	6.0
335.25766	85.3
341.28104	3.3
349.23730	44.4
351.25391	4.0
364.25659	3.0
505.34811	4.7
515.37054	4.3
539.94281	3.2
557.41803	3.7
598.17029	3.3
609.45032	73.4
627.45996	25.7
651.46442	3.9
676.55682	3.5
742.88525	3.5
753.49017	4.2
771.50146	5.9
789.51410	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	787.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.3
55.05507	39.3
57.03438	22.4
57.07069	8.1
61.02927	20.4
65.03910	4.3
67.05166	5.9
67.05501	92.0
69.03422	18.9
69.06766	3.5
69.07065	38.7
69.58048	7.4
69.58458	20.3
70.36110	3.7
71.04975	10.1
73.02911	11.7
79.05490	63.1
81.03410	20.0
81.07053	88.1
83.04969	12.6
83.08606	21.3
85.02909	19.3
85.06524	9.1
87.04427	3.0
89.06021	6.1
91.03945	6.3
91.05477	53.6
93.07040	69.5
95.04972	18.3
95.08035	6.4
95.08602	70.1
97.02880	22.0
97.06532	17.9
97.10162	12.0
98.34013	3.5
99.04449	7.8
99.08080	9.9
105.07024	60.2
107.04955	8.2
107.08598	44.4
108.39842	3.1
109.02879	6.5
109.06507	22.7
109.10136	29.6
111.04454	4.3
111.08077	11.0
117.07030	25.1
119.08572	46.1
121.10121	23.7
123.08076	10.0
123.11681	7.3
125.09586	8.3
127.03898	11.7
128.06229	7.4
129.06985	32.8
131.08553	42.5
133.06430	3.5
133.08633	4.1
133.10123	28.4
135.08072	12.0
135.11705	19.5
137.09599	6.2
141.06964	14.1
142.07790	9.0
143.06439	2.6
143.08548	33.0
145.06464	3.3
145.10135	37.3
147.08035	5.7
147.11665	14.8
149.09648	6.3
149.13271	6.4
151.11128	3.2
153.06906	3.8
154.07736	4.6
155.08536	33.2
156.09277	4.2
157.10147	31.5
159.08014	5.1
159.11679	29.7
161.09673	6.6
161.13274	6.4
163.11116	5.4
165.07002	4.9
165.12738	3.2
167.08461	15.4
169.10106	35.5
171.08101	5.0
171.11694	25.4
173.09636	6.0
173.13281	9.1
175.11157	4.7
175.14856	5.3
179.08630	9.5
181.10168	17.6
182.10936	4.1
183.11662	28.8
184.07339	14.2
185.09668	3.6
185.13257	14.7
187.14778	7.8
189.11049	3.5
191.14340	4.1
193.10120	10.9
195.11755	17.4
195.13351	3.7
197.13333	19.7
199.11148	3.9
199.14804	9.6
201.16370	3.4
207.11656	11.0
209.13229	22.4
211.14798	10.0
213.12907	3.9
213.16417	5.1
219.11673	7.4
221.13071	6.4
221.70764	3.2
223.14830	14.0
225.16383	7.3
227.17929	7.1
227.20009	39.1
228.20380	20.7
233.13298	7.4
235.14851	6.4
237.16452	8.0
239.17973	5.3
247.14720	4.6
249.16327	4.9
257.19049	4.9
259.20477	5.8
261.16336	4.7
261.22064	3.3
273.18530	9.8
275.19998	11.4
297.18295	3.3
309.22449	4.5
321.22018	4.0
335.25977	8.2
337.21707	3.4
347.22357	3.7
421.30585	4.0
447.32251	7.7
485.33237	4.1
513.35590	8.5
515.38696	11.3
533.39868	9.7
539.37262	16.9
541.38635	13.3
543.35950	4.0
553.38672	14.8
555.39972	5.2
567.40552	9.6
607.34052	4.8
607.43585	86.8
625.44623	100.0
694.44012	3.2
751.46600	4.5
769.48529	9.7
787.50159	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05499	0.8
57.03428	2.2
59.04982	0.2
61.02924	0.4
65.03921	1.1
67.05493	1.0
68.99794	0.6
69.03422	2.8
69.07070	0.7
69.98067	0.9
70.06573	1.2
71.04984	6.2
72.08158	0.5
73.02896	0.6
77.03930	0.3
79.05482	0.9
81.03407	3.0
81.07032	1.7
83.01344	0.3
83.04978	1.5
83.08588	0.3
84.04473	0.2
84.08132	0.7
85.02894	11.7
85.06528	0.5
86.09691	0.3
87.04456	0.6
89.03891	0.4
91.05470	17.6
92.05786	0.2
93.03377	0.2
93.07032	1.3
95.01340	0.3
95.04958	1.6
95.08582	1.5
97.02875	2.0
97.06497	0.4
97.10194	0.3
98.09699	0.3
99.04436	1.2
103.03901	0.4
103.05451	0.9
105.03387	0.6
105.06998	1.2
107.04922	1.4
107.08570	1.4
109.02866	2.9
109.06495	0.8
109.10146	1.0
109.41597	0.2
111.00802	0.3
111.04440	1.1
111.08101	0.3
112.07578	0.3
115.05476	0.4
117.03305	0.2
117.06977	0.3
118.04160	0.3
119.04929	27.0
119.08569	1.0
120.05228	0.4
121.02892	1.2
121.06498	0.9
121.10141	1.0
123.04409	1.8
123.08086	0.5
123.11681	0.5
125.02341	0.4
125.09608	0.3
127.03899	4.8
129.03357	0.4
129.05452	1.8
131.04912	0.7
131.08557	0.5
132.02051	0.9
133.02849	1.2
133.06480	0.6
133.10121	1.4
135.04370	1.5
135.08047	0.3
135.11720	0.3
136.05214	0.3
137.05966	1.0
137.09572	0.4
139.03978	0.2
139.07553	0.3
143.08504	0.3
145.02831	0.7
145.04927	0.5
145.06506	0.6
145.10127	0.5
147.04391	28.2
147.11656	0.9
148.04790	0.3
149.02339	0.8
149.05960	1.0
149.09569	0.4
151.03903	0.7
151.07516	1.1
153.01750	2.2
153.05484	0.6
157.03925	1.9
159.04373	0.5
159.08038	0.6
159.11667	0.5
161.05963	0.9
161.09604	0.5
162.03072	0.5
163.03900	1.1
163.07555	0.4
163.11186	0.3
163.14899	0.2
164.04645	0.9
165.01781	1.2
165.05415	0.4
165.09145	0.2
167.03307	0.3
167.07027	6.5
167.08401	0.5
168.07391	0.3
169.10147	0.2
171.02917	2.6
171.04265	0.4
171.08006	0.2
173.06030	0.5
173.09583	0.3
175.03886	44.1
175.14874	0.6
176.04369	0.8
177.01831	1.0
177.05475	0.8
177.09158	0.4
179.03354	0.6
179.07025	2.2
181.04929	0.7
181.08607	0.3
183.02861	2.3
183.06456	0.3
187.03893	0.4
187.07443	0.4
189.05501	0.4
189.08995	0.3
191.03354	1.8
191.07034	0.6
191.14268	0.3
192.04099	0.6
193.01208	0.3
193.04930	0.5
193.08565	0.6
193.12360	0.2
195.02872	19.0
196.03154	0.2
197.00764	0.3
201.05498	0.5
203.03325	0.3
205.01302	1.0
205.04881	1.4
205.12239	0.2
207.06500	100.0
208.06804	1.7
209.04378	0.4
209.08076	0.4
213.03810	0.7
213.09059	0.4
215.03412	0.8
217.05002	0.7
219.02866	2.8
219.06474	1.0
221.04588	0.3
223.26082	0.3
225.03870	0.4
225.07576	0.4
231.02884	0.6
233.04453	0.5
237.03909	0.9
237.07547	0.3
239.06825	0.2
241.04951	0.3
243.02895	0.8
243.06293	0.3
245.04456	0.7
249.03978	0.5
249.07594	0.9
255.06319	1.1
256.06992	0.3
257.04291	0.4
261.03949	2.9
263.05399	0.5
271.05942	1.0
273.07547	2.4
279.05008	0.2
283.05975	0.8
284.06598	0.3
285.04236	0.5
285.07458	2.6
287.05515	1.6
295.05975	0.6
297.07745	1.2
299.05475	0.4
299.09174	0.3
305.06613	0.6
307.06107	0.6
307.09833	0.3
309.07211	0.3
311.05475	0.4
313.07043	1.5
315.08591	9.6
317.06525	0.4
317.10162	0.4
321.07669	0.3
323.08157	0.4
325.06885	1.1
327.04913	0.4
335.09155	0.8
336.09372	0.8
337.06894	0.6
337.10324	0.8
339.08615	2.4
351.11398	0.5
353.12509	1.2
355.11722	1.0
357.09869	0.5
363.08597	2.0
365.10272	0.6
369.12012	2.0
371.07526	0.3
377.10559	0.4
379.11887	0.5
381.09631	2.3
383.11261	0.5
395.11197	0.3
399.10532	0.7
401.12537	0.3
407.10809	0.8
417.12152	0.4
419.12952	0.3
425.12100	0.9
427.14035	0.3
443.13412	0.8
446.91895	0.2
461.14407	0.3
463.17923	0.5
479.13089	0.5
503.11676	0.3
509.14090	0.3
537.84082	0.3
607.21179	0.4
608.45941	0.2
625.21777	0.3
637.15015	0.3
787.37006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05508	0.9
55.98447	0.1
57.03414	0.4
57.07060	0.2
59.04980	0.1
61.02920	0.5
64.19711	0.1
65.03931	0.1
67.01845	1.2
67.05504	1.2
68.98761	0.1
69.03420	1.7
69.07060	4.5
69.21646	0.1
69.29219	1.1
70.06565	0.2
71.04974	0.5
72.08124	0.2
73.02905	0.4
77.03929	0.2
79.05481	0.7
80.32052	0.1
81.03398	1.2
81.07049	2.3
83.01372	0.1
83.04965	0.4
83.08601	0.7
84.08186	0.1
84.92464	0.1
85.02898	5.0
85.06525	0.6
87.04478	0.2
87.80031	0.1
91.03967	0.1
91.05470	1.6
91.10303	0.1
93.07035	6.5
94.07357	0.1
95.01302	0.2
95.04984	1.0
95.08605	1.6
95.37987	0.1
96.08121	0.1
97.02877	2.2
97.06515	0.3
97.10164	0.3
98.09677	0.1
99.04432	1.0
99.08067	0.3
101.02345	0.1
103.03931	0.7
105.04511	0.1
105.07025	1.0
107.04951	0.1
107.08585	1.8
109.02863	1.3
109.06497	0.4
109.10148	1.4
111.04367	0.1
111.08070	0.8
111.11144	0.1
111.11723	1.2
112.07530	0.1
115.03899	0.1
116.59116	0.1
117.07001	0.2
119.04919	0.2
119.08546	0.9
121.06490	1.8
121.10121	1.0
123.04417	0.2
123.08069	0.3
123.11693	0.9
125.05997	0.1
125.09581	0.2
127.03904	5.2
128.04361	0.1
129.12747	0.1
131.08565	0.5
133.06551	0.1
133.10135	1.0
135.08040	0.4
135.11687	2.2
137.05986	0.3
137.13266	0.2
139.07527	4.2
139.11162	1.2
140.43634	0.1
143.08556	0.2
143.31837	0.1
145.04956	1.1
145.06073	0.2
145.10083	0.5
147.04375	0.8
147.08041	0.2
147.11678	0.5
149.05969	5.3
149.09525	0.2
149.13245	0.6
151.03970	0.1
151.07529	1.3
153.12704	0.1
155.07016	0.1
155.58586	0.1
157.10181	0.1
157.12236	0.3
159.11668	0.8
161.05940	0.3
161.13228	0.4
163.06084	0.3
163.07523	0.2
163.11131	0.1
163.14922	0.2
165.09103	0.4
167.07024	100.0
168.07372	1.8
171.31259	0.1
173.09569	0.1
173.13292	0.4
175.07597	0.2
175.11049	0.2
175.14828	0.2
177.05472	0.3
177.09166	0.2
177.16396	0.2
181.08592	0.9
183.06535	0.2
184.09578	0.1
185.07085	0.2
187.05986	0.2
187.07542	0.2
187.14851	0.2
188.08302	0.1
189.09125	0.5
189.16467	0.1
191.10637	0.4
191.14314	0.4
193.08583	0.3
195.17281	0.2
201.09178	0.1
203.10706	0.2
205.08638	0.2
205.12186	0.2
207.06461	0.1
207.10138	1.7
209.15430	0.1
213.06758	0.2
213.18440	0.4
217.08635	0.1
217.12299	0.3
227.20168	0.2
229.08763	0.1
229.12306	0.1
235.13301	0.4
239.20064	0.2
245.22504	0.1
263.23682	0.4
271.08377	0.3
271.16910	0.4
271.24200	0.2
275.16531	0.1
277.25226	0.3
281.24768	0.5
289.08865	0.1
289.17947	2.8
289.25122	1.1
293.24802	0.2
295.06027	0.1
295.26224	0.5
307.26294	2.2
310.04822	0.2
325.07013	0.7
329.12143	0.2
337.06912	0.2
339.08649	0.1
361.10535	0.1
361.17407	0.2
367.11719	0.1
379.12057	0.3
393.13226	0.3
397.12610	0.4
411.14450	0.2
415.12238	0.2
425.30368	0.6
443.31595	2.8
447.14597	0.1
461.32587	23.6
462.32877	1.3
464.33835	0.1
479.33508	0.2
537.24310	0.1
605.36719	0.2
623.37750	0.1
672.84943	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	785.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05511	0.8
57.03422	0.7
57.07066	0.2
61.02904	0.3
67.05496	1.0
69.03069	0.3
69.03425	4.3
69.07053	0.4
70.06579	0.2
71.01348	0.2
71.04985	2.0
72.08119	0.2
73.02911	2.0
73.67575	0.1
79.05473	0.8
81.03413	6.3
81.07043	0.7
82.32944	0.1
83.04977	1.2
85.02896	10.3
85.06511	0.4
87.04446	0.5
87.59135	0.2
91.03927	0.2
91.05474	1.4
93.07038	1.1
95.04959	1.3
95.08595	0.8
97.02881	6.4
97.06507	0.6
98.21523	0.3
99.04445	9.7
100.04811	0.2
101.02363	0.2
103.03934	5.2
103.05474	0.3
105.07028	2.3
106.83276	0.2
107.08592	2.0
109.02868	12.3
109.06510	7.0
109.10138	3.0
110.03162	0.2
111.04430	0.3
111.08080	0.2
115.03905	0.5
115.05455	0.2
117.06998	0.5
119.04919	0.3
119.08569	1.0
121.02924	0.2
121.06515	0.3
121.10135	1.3
123.04414	0.3
123.08052	1.9
125.02372	0.5
126.87065	0.2
127.03903	100.0
128.04245	1.3
131.08549	2.7
133.09108	0.2
133.10115	4.8
135.08038	4.9
135.11609	0.3
137.05974	0.4
143.08543	0.5
144.09317	0.2
145.04948	8.1
145.10121	0.9
146.05322	0.2
147.04382	0.8
147.11682	0.7
149.06001	0.2
149.09598	0.6
149.13252	0.6
151.03888	0.5
153.01736	0.2
153.05449	0.2
153.09048	0.2
157.04985	0.3
158.10867	0.9
161.05952	0.3
161.09569	0.3
163.03987	0.2
163.06006	1.8
165.05521	0.3
167.07036	1.0
169.04980	1.2
173.13255	4.2
175.03932	0.4
175.14847	0.2
177.05502	0.4
179.06964	0.2
181.04900	0.2
187.06010	3.3
189.05493	0.3
189.12785	0.2
191.07060	0.3
191.14285	12.4
192.14636	0.4
193.08565	0.2
199.06004	0.5
204.08746	0.2
205.05165	0.3
205.07014	1.5
207.06548	0.6
209.08095	0.6
209.15326	3.7
209.17300	0.2
211.06049	0.2
217.04939	0.2
227.09174	0.2
229.07080	0.7
235.05980	1.0
245.10289	0.3
247.08083	0.3
253.07021	2.6
255.06599	0.5
271.08109	6.4
272.08395	0.2
285.07587	0.4
289.09146	4.2
307.10297	0.6
313.09094	0.3
323.09055	0.2
331.10205	0.4
349.11166	0.6
355.10193	0.2
379.10300	0.7
397.11246	1.6
415.12323	3.4
433.13351	2.1
451.14398	0.8
541.15186	0.5
577.17688	1.5
703.80023	0.2
785.40100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05521	1.3
57.03430	0.8
57.07077	0.3
57.90310	0.2
59.04979	0.4
61.02924	0.4
65.03924	0.4
67.05487	1.3
69.03072	0.4
69.03426	5.5
69.07051	0.6
70.06586	0.9
71.01354	0.3
71.04992	1.3
71.11143	0.6
72.04482	0.2
72.08141	0.7
72.09641	0.2
73.02918	1.7
79.05492	1.8
81.03416	7.2
81.03902	0.4
81.07053	1.2
83.01320	0.3
83.04981	1.8
83.08618	0.2
84.04494	0.9
84.08136	0.9
85.02901	10.8
85.06522	0.4
86.06085	0.2
86.09721	0.3
87.04454	0.6
91.05475	4.7
93.07050	1.9
95.04952	1.1
95.08607	1.0
96.08112	0.2
97.02890	6.3
97.06505	0.3
98.03224	0.4
98.06048	0.3
98.09677	0.2
99.04450	8.5
103.03941	4.0
103.05452	0.6
105.07031	4.6
107.04958	0.7
107.08590	4.0
109.02875	14.9
109.06533	1.4
109.10149	0.3
111.04474	0.6
115.03912	1.0
115.05447	0.6
116.06218	0.6
117.07012	1.9
119.04930	0.5
119.08581	4.4
121.02865	0.4
121.06491	0.8
121.10134	4.5
122.09655	0.2
123.04392	1.0
123.08049	0.7
123.11703	0.3
124.07566	0.3
124.11268	0.2
125.06045	0.2
125.09630	0.5
126.05521	1.0
127.03910	100.0
128.04265	1.5
128.06200	0.5
129.05460	0.3
129.07001	2.1
130.07768	0.7
131.04916	0.3
131.08559	6.7
132.04474	0.3
133.06477	0.5
133.10123	2.3
135.04362	0.2
135.08046	1.9
135.11690	0.5
137.02351	0.3
137.05969	0.9
137.09528	0.3
138.05481	0.8
139.03882	0.3
139.05824	0.5
140.07062	0.3
142.07820	0.2
143.08549	4.0
144.06581	0.3
144.09329	1.6
145.02985	0.3
145.04955	6.2
145.06526	0.4
145.10110	4.8
147.04393	2.0
147.08028	0.3
147.11671	2.4
149.06017	0.7
149.09589	0.7
149.13231	2.2
151.03896	0.7
151.07507	0.3
153.01804	0.6
156.09273	0.3
157.04951	0.5
157.10095	0.3
158.10901	4.2
159.11703	0.4
161.05991	0.6
161.09563	0.3
163.03917	0.4
163.06021	1.1
163.07451	0.4
165.05476	0.3
167.07031	2.5
168.06523	0.5
169.04945	0.8
169.06656	0.3
169.09938	0.2
171.11635	0.3
173.06007	0.6
173.13252	10.6
175.03778	0.3
175.14803	1.1
177.05479	0.9
179.03368	0.3
179.07010	0.3
181.04944	0.3
184.09846	0.3
186.07881	0.2
187.06018	2.5
187.07501	0.3
189.05457	0.4
189.12775	0.2
191.07068	0.6
191.14301	20.6
192.14636	0.3
193.05014	0.4
193.08603	0.6
199.05986	0.2
201.05177	0.2
202.10747	0.4
203.07010	0.3
204.08696	0.9
205.05138	0.4
205.07060	0.8
205.08870	0.5
207.06534	1.4
209.04433	0.4
209.08112	0.8
209.15356	2.2
211.07825	0.2
211.09705	0.4
215.07193	0.3
215.10582	0.2
217.04982	0.3
217.06956	0.2
219.10118	0.2
229.07079	0.7
233.08005	0.2
235.05997	0.9
235.14345	0.2
239.92278	0.2
245.10292	0.3
247.14445	0.4
253.07039	2.0
255.06461	0.3
263.09186	0.3
269.04208	0.2
270.05280	0.6
271.05582	0.4
271.08124	4.2
281.15286	0.3
285.07559	3.3
286.41876	0.2
289.09143	2.8
299.16388	0.5
307.10257	0.5
309.07629	0.2
313.09009	0.3
317.17538	0.4
331.10312	0.4
349.11084	0.3
355.10278	0.4
364.15958	0.3
379.10666	0.3
397.11142	1.0
415.12262	2.5
416.13239	0.2
433.13535	1.9
451.14630	0.6
559.16272	1.1
577.17603	18.2
605.25635	0.3
623.29205	0.4
692.37488	0.2
785.31567	0.5
786.36694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
55.05508	0.8
57.03428	0.9
57.07062	0.3
59.04986	0.2
60.52262	0.1
61.02915	0.5
65.03922	0.2
67.05496	1.3
68.51778	0.1
68.99769	0.1
69.03419	5.1
69.07050	0.6
70.06570	0.2
71.04985	1.9
71.56934	0.1
72.08131	0.4
73.02909	2.4
73.49746	0.1
74.09749	0.1
79.05476	1.4
81.03408	6.2
81.07047	1.3
83.01323	0.2
83.04965	1.1
83.08612	0.4
84.08122	0.2
85.02893	11.4
85.06516	0.4
86.03204	0.1
87.04485	0.5
91.03956	0.1
91.05465	1.5
93.07035	1.5
95.01314	0.1
95.04964	1.3
95.08587	1.0
97.02877	6.7
97.06519	0.5
98.21516	0.2
99.00834	0.1
99.04442	11.2
101.02359	0.2
101.06024	0.2
103.03928	6.1
105.07018	1.7
107.04918	0.4
107.07858	0.1
107.08575	2.0
109.02864	13.9
109.06503	7.3
109.10143	3.6
110.03673	0.2
111.04449	0.6
111.08059	0.5
115.03915	0.7
115.05440	0.3
116.06236	0.1
117.07008	0.5
119.04944	0.4
119.08557	0.8
120.04246	0.1
121.02842	0.4
121.06503	0.3
121.10126	1.4
123.04420	0.5
123.08052	2.1
123.11694	0.5
125.02311	0.3
127.03898	100.0
128.04208	0.8
129.05472	0.2
129.06973	0.2
131.04904	0.2
131.08537	2.1
133.06491	0.3
133.09097	0.2
133.10103	3.5
135.04425	0.3
135.08035	6.3
135.11708	0.2
137.02394	0.2
137.05977	0.3
137.09508	0.2
139.03860	0.3
143.08533	0.3
145.03012	0.2
145.04936	9.5
145.10114	0.8
147.04402	0.9
147.08099	0.2
147.11676	0.7
149.02475	0.1
149.06006	0.2
149.09648	0.6
149.13228	0.7
150.10368	0.1
151.03879	0.4
151.07587	0.3
151.11101	0.1
153.01802	0.2
153.05379	0.1
153.09091	0.4
157.04956	0.4
158.10890	0.6
161.05960	0.3
161.09549	0.1
163.03857	0.2
163.06012	1.9
163.07379	0.2
163.11179	0.2
163.14757	0.1
165.09119	0.2
167.07030	0.7
167.14313	0.2
168.06541	0.1
169.04950	1.1
171.10176	0.1
171.11598	0.2
173.09674	0.1
173.13245	3.1
175.03802	0.2
175.11238	0.2
175.14795	0.2
177.05484	0.4
179.07008	0.2
181.04961	0.2
187.05991	3.6
187.07649	0.2
188.04749	0.2
189.05496	0.2
189.12762	0.4
191.07027	0.3
191.14281	11.3
192.14610	0.1
193.04970	0.4
193.08604	0.2
195.02753	0.2
199.06029	0.4
205.05122	0.3
205.07018	1.7
207.04709	0.1
207.06433	0.6
207.13753	0.1
209.08067	0.5
209.15343	3.4
211.06033	0.5
215.05450	0.1
217.04974	0.4
227.09097	0.3
227.14288	0.3
229.07039	0.8
235.05937	1.0
245.10207	0.2
247.08112	0.3
253.07043	2.7
271.08115	6.5
273.07623	0.1
281.15375	0.1
289.09116	3.7
295.08456	0.1
299.16409	0.3
307.10220	0.6
313.09137	0.4
317.17462	0.2
331.10110	0.5
349.11285	0.6
353.19791	0.2
355.10608	0.1
359.23068	0.2
359.72925	0.2
361.09467	0.1
373.11310	0.2
379.10345	0.6
395.20425	0.1
397.11252	1.9
408.86377	0.1
415.12308	3.7
415.17889	0.2
433.13339	2.3
451.14523	0.6
475.14755	0.1
541.15125	0.5
577.17596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05502	0.4
57.03426	0.5
61.02914	0.3
65.03899	0.1
67.05510	0.2
69.03069	0.3
69.03421	4.0
70.06581	0.3
71.01344	0.3
71.01738	0.3
71.04993	0.8
72.08144	1.9
73.02904	0.9
79.05479	0.6
81.03411	4.3
81.07051	0.2
83.01315	0.5
83.04995	0.7
84.04482	0.3
84.08123	0.4
85.02894	5.8
86.06065	0.1
87.04465	0.5
89.10778	0.3
91.05450	0.8
93.07055	0.8
95.04961	0.5
95.08601	0.2
97.02881	43.2
99.04443	6.6
101.02399	0.2
103.03936	2.6
103.05406	0.3
105.07039	0.9
107.04950	0.6
109.02869	7.5
109.06496	0.3
111.04417	1.1
113.02385	0.2
115.03915	7.2
117.05468	0.1
119.04906	0.5
121.02894	0.2
121.06502	0.6
123.04419	0.5
123.08073	0.4
125.02351	0.5
127.03902	100.0
128.04230	0.9
131.04926	0.3
133.06445	0.5
135.04387	0.3
137.02287	0.2
137.05940	0.3
138.05481	0.2
138.09169	0.2
139.03891	1.2
145.04950	2.8
145.06223	0.2
145.06532	0.1
147.04428	1.1
149.05988	0.9
149.79160	0.1
151.03862	0.4
151.07518	1.1
153.05508	0.2
155.11781	0.3
157.04962	2.0
159.04401	0.4
161.05965	1.5
161.39481	0.1
163.03891	0.4
163.06046	0.5
165.05411	0.3
167.06987	0.6
169.04913	0.8
173.04410	0.3
175.06012	0.5
177.05441	2.0
179.07039	0.6
181.04951	1.5
187.06042	1.1
188.22076	0.2
193.04929	1.8
195.06522	0.3
197.08069	1.3
199.06004	1.6
205.04991	4.0
205.07040	0.8
209.08115	0.2
211.06071	0.2
217.06906	0.2
223.05991	8.5
229.07039	0.5
235.05882	0.2
241.07037	11.5
243.60220	0.2
247.08038	0.3
253.07036	0.8
259.05402	0.3
259.08105	5.6
271.08121	2.1
277.09198	0.2
283.07932	0.3
289.09149	1.0
301.09229	0.3
319.10141	0.2
331.08014	0.1
337.11517	0.2
346.09290	0.3
349.09161	0.6
367.10193	2.3
373.11093	0.2
385.11298	2.1
403.12280	3.5
415.12381	0.3
421.13379	5.4
529.15381	1.0
547.16400	1.2
565.17255	0.2
587.21368	0.2
623.29242	0.3
785.33447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05497	0.4
56.05017	0.2
57.03439	0.6
61.02927	0.3
62.89828	0.1
67.05503	0.4
68.99806	0.1
69.03424	3.8
69.07050	0.2
69.45843	1.2
70.06594	0.8
70.27163	0.1
71.01353	0.3
71.04990	0.8
72.08152	0.8
73.02903	0.6
79.05477	0.5
81.03412	4.0
81.07045	0.4
83.01328	0.5
83.04982	0.9
84.08131	0.3
85.02899	5.7
86.09678	0.3
87.04482	0.6
89.10770	0.1
90.07008	0.1
91.05457	1.0
93.07057	0.6
95.04995	0.8
95.08578	0.3
97.02885	42.5
98.03242	0.3
99.04446	6.8
101.02367	0.2
103.03936	2.4
103.05441	0.4
105.07039	1.1
107.04971	0.6
107.08600	0.2
109.02872	7.5
109.06528	0.3
110.02357	0.2
110.07090	0.1
111.04456	1.1
114.09096	0.2
115.03924	7.6
115.08712	0.2
119.04932	0.7
119.08527	0.1
120.08123	0.2
121.02840	0.2
121.06516	1.0
122.06032	0.1
123.04408	0.6
123.08076	0.5
125.02367	0.3
125.05946	0.1
127.03908	100.0
128.04239	0.6
129.10257	0.1
131.04898	0.5
131.08620	0.1
133.06519	0.6
133.10152	0.3
135.04402	0.5
136.07584	0.2
137.05939	0.5
139.03908	1.5
143.03476	0.2
143.04897	0.2
145.04944	2.6
145.06122	0.2
147.04401	2.2
148.04744	0.2
149.05984	1.0
150.09077	0.1
151.03870	0.5
151.07559	1.0
152.07076	0.3
153.05438	0.2
157.04976	2.4
159.04427	0.3
161.05988	1.5
163.03899	0.5
163.06001	0.4
163.07339	0.1
165.05484	0.4
167.07076	0.8
169.04930	0.8
173.04457	0.5
173.05893	0.1
175.03888	0.2
175.05997	0.7
175.07364	0.2
175.14816	0.2
177.05458	2.2
179.06985	0.9
181.04942	1.7
187.04251	0.2
187.06026	1.3
187.07500	0.2
187.10788	0.1
191.06972	0.2
191.14343	0.1
193.04958	1.6
195.06525	0.3
197.08084	1.7
199.05995	1.4
199.07532	0.2
205.04984	4.1
205.06995	0.7
207.04732	0.1
209.08037	0.3
211.06004	0.3
217.06989	0.2
223.06000	8.8
229.06987	0.5
235.06000	0.3
241.07045	12.9
247.08092	0.1
253.07037	1.0
257.06506	0.2
259.08112	5.6
265.57559	0.1
271.08145	1.6
277.09116	0.2
283.08279	0.3
288.02359	0.1
289.09238	0.7
301.09213	0.3
315.40988	0.1
319.10132	0.5
331.08188	0.3
337.11438	0.3
349.09021	0.7
367.10233	2.2
373.11212	0.4
385.11267	2.1
403.12332	3.6
421.13406	4.7
422.13831	0.2
477.20004	0.1
495.21265	0.2
511.14157	0.1
513.22101	0.1
529.15363	1.0
547.16626	0.9
565.17413	0.2
783.32715	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	782.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05506	0.6
57.03423	0.5
61.02926	0.2
68.99791	0.2
69.03422	3.9
70.06578	0.3
71.01336	0.1
71.04986	1.1
71.62734	0.1
71.63113	0.1
72.08148	0.4
73.02911	1.6
81.03410	5.3
83.01331	0.3
83.04967	0.9
83.72176	0.1
84.08134	0.5
85.02897	6.4
86.06069	0.1
87.04453	0.3
91.05460	0.2
91.34843	0.1
95.04944	0.3
97.02884	6.2
99.04446	8.0
103.03929	2.7
105.07052	0.1
107.04909	0.1
109.02869	13.8
111.04462	0.3
115.03929	0.4
119.04982	0.2
120.08206	0.1
121.02840	0.2
123.04379	0.3
125.02344	0.4
127.03903	33.3
128.04214	0.3
128.10632	0.1
132.04433	4.9
135.04419	0.2
137.05963	0.3
138.05487	0.2
140.07082	0.1
145.04950	7.5
147.04413	0.6
149.06003	0.1
151.03876	0.4
157.04953	0.3
160.03905	0.3
161.04735	0.2
161.05981	0.1
162.05487	1.2
163.03847	0.1
163.06007	0.2
167.06996	0.1
168.06592	0.1
169.04924	0.5
175.03864	0.3
177.05453	0.2
178.04976	52.4
179.05379	0.7
180.05315	0.1
187.05974	1.2
189.05484	0.2
193.04893	0.2
205.05072	0.2
205.07037	0.4
206.04462	100.0
207.04788	1.1
207.06459	0.2
209.08073	0.3
211.05966	0.2
217.04851	0.2
229.07089	0.4
235.05910	0.7
245.99863	0.1
253.07063	2.1
257.19965	0.1
260.09509	0.1
271.08109	2.9
271.10889	0.2
289.09140	0.6
314.06393	0.3
368.09573	0.2
379.10144	0.5
397.11136	0.7
415.12366	0.7
450.13818	0.7
476.11877	0.8
494.12848	1.7
512.14050	0.9
554.15149	0.9
584.13940	0.5
602.14526	0.5
620.16040	6.5
621.16467	0.2
638.17139	6.9
656.07806	0.2
656.18109	3.3
782.18958	0.3
782.31555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69518	0.6
55.01863	7.5
55.05503	8.2
57.03432	6.1
57.07075	2.4
59.04995	4.5
61.02922	7.6
65.03934	1.4
66.68457	0.5
67.05499	13.5
69.03425	23.1
69.07063	15.9
70.06588	1.3
71.04980	4.5
72.08157	0.7
73.02908	1.9
77.03888	0.5
79.05482	10.9
81.03412	9.4
81.07052	24.0
83.01304	0.5
83.04980	5.3
83.08617	7.0
84.08159	0.7
85.02898	100.0
85.06544	2.6
86.03259	0.6
86.06035	1.0
87.04456	2.0
91.03962	3.7
91.05473	11.1
92.05771	0.5
93.07037	21.6
95.04966	3.3
95.08599	25.3
97.02884	27.8
97.06516	4.3
97.10167	2.3
98.03273	0.7
99.04457	6.7
99.08086	0.8
101.02394	0.6
103.03952	1.5
103.05453	1.2
105.07022	23.3
107.04955	1.8
107.08588	42.1
109.02868	10.4
109.06503	8.7
109.10146	35.7
111.04433	0.8
111.08069	10.6
111.11760	1.0
112.07589	0.6
112.08327	0.6
115.03914	0.9
117.07009	2.3
119.04943	1.9
119.08575	25.9
121.06525	1.8
121.10136	20.4
122.58703	0.5
123.04471	0.6
123.08059	4.9
123.11706	7.6
125.06018	0.6
125.09622	6.6
127.03905	28.5
127.07574	0.8
128.04298	0.5
129.07010	1.2
130.07784	0.9
131.04938	0.7
131.08539	5.7
133.06497	0.9
133.10118	21.1
135.04439	0.7
135.08055	1.6
135.11691	19.9
137.05988	1.6
137.09615	4.2
137.13217	3.1
139.07558	2.7
139.11171	3.5
141.07019	0.5
142.07729	1.2
143.08536	3.9
144.09288	1.1
145.04950	29.6
145.10103	12.5
147.04385	7.1
147.08008	0.6
147.11674	26.3
148.04759	1.4
149.02254	0.6
149.06009	1.3
149.09602	2.4
149.13243	7.3
151.03877	1.0
151.07532	1.6
151.11160	1.6
153.12683	2.4
155.08524	1.0
156.09348	0.8
157.08685	1.0
157.10129	6.3
157.11334	0.8
158.10892	0.8
159.11679	15.6
161.06003	1.4
161.09604	1.9
161.13243	7.5
163.06018	9.1
163.07442	0.8
163.11163	2.5
163.14801	3.8
165.09143	1.5
165.12756	26.2
167.07033	14.2
167.08327	0.5
167.10696	0.5
167.14331	1.3
168.07376	1.7
169.10110	2.3
170.10869	0.8
171.11681	5.7
173.05933	0.9
173.09633	0.8
173.13255	9.1
175.03922	0.5
175.11177	3.3
175.14830	5.8
177.05463	1.6
177.12746	1.5
177.16399	3.0
179.07007	0.7
179.14305	0.8
181.04921	0.9
181.08649	0.6
181.10143	0.7
183.11638	3.2
185.13260	5.7
187.06013	0.5
187.07567	0.7
187.11195	1.0
187.14801	8.5
189.08813	0.6
189.12721	1.2
189.16383	3.6
191.07176	0.6
191.10631	0.9
191.14322	2.0
191.17946	3.9
193.08530	0.9
193.12224	9.6
193.15919	3.2
195.11655	1.0
197.13309	2.7
198.13953	0.6
199.11281	0.8
199.14818	4.3
201.16365	23.3
202.16652	0.6
203.14317	1.1
203.17941	23.2
204.18288	0.8
206.04466	0.7
207.06444	0.8
207.10185	1.4
207.17459	0.9
209.08147	0.7
209.13268	2.0
211.09602	0.9
211.14815	1.8
213.16347	7.3
215.17949	3.9
217.19470	0.6
221.08093	0.6
221.15277	2.4
223.14828	1.6
225.16466	2.8
226.17206	1.8
227.17906	6.6
228.18332	0.7
229.19463	1.6
231.17390	3.9
233.18985	2.0
237.16429	1.4
239.18040	1.3
241.19547	1.6
242.70953	0.5
245.19093	0.7
249.16533	0.7
249.18503	19.3
251.17984	2.3
253.19470	3.1
255.06499	0.8
255.21094	3.5
257.22684	3.7
259.20413	0.7
265.19424	1.4
267.21078	2.9
269.22620	22.5
277.21765	1.3
279.21051	2.1
281.22409	0.7
283.24323	0.6
287.23709	5.3
289.09088	0.7
291.21201	0.7
293.22629	3.3
295.24341	0.5
297.07639	0.6
305.24808	1.4
307.24182	0.8
311.23581	2.5
317.24924	0.7
319.24075	0.8
321.25830	2.2
323.27490	0.8
325.06909	1.4
325.11084	1.2
325.25064	0.6
327.08707	1.2
329.24811	1.5
333.25833	1.5
335.27164	0.6
338.08099	0.6
339.08597	1.3
339.26801	0.8
347.27307	1.4
353.10114	0.9
353.28293	0.6
360.28296	0.8
361.28949	1.8
365.28238	0.7
371.11124	0.6
379.11908	0.8
381.32025	0.6
383.29221	0.8
397.12827	0.7
403.33566	31.8
404.33661	1.2
421.34616	80.6
422.35022	2.6
439.35754	19.1
440.35797	0.8
457.29916	0.7
457.36813	2.4
781.34851	1.3
781.47687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05502	0.1
55.37660	0.1
55.90221	0.1
57.03424	0.2
65.03922	0.2
65.46561	0.1
67.05496	0.3
69.03427	0.8
69.07045	0.3
69.60708	0.8
70.06586	0.7
71.05013	0.2
71.94926	0.1
72.08150	0.6
73.02924	0.1
77.03920	0.1
78.04697	0.8
79.05487	1.0
80.75576	0.1
81.03414	0.6
81.07065	0.5
83.04981	0.2
84.04514	0.1
84.08134	0.2
85.02899	1.2
85.06528	0.2
86.06065	0.2
86.09698	0.2
91.05470	1.1
93.07043	0.7
95.04971	0.6
95.08608	0.5
97.02871	0.8
98.06010	0.1
98.20699	0.1
99.04449	0.2
103.05469	1.7
105.03371	0.1
105.07011	1.2
106.04169	0.5
107.04953	1.5
107.08560	0.3
109.02891	0.6
109.06510	0.3
109.10159	0.1
111.08076	0.1
112.07536	0.1
115.03938	0.1
115.05428	0.3
117.06968	0.1
119.04925	0.8
119.08587	0.3
120.08108	0.1
121.02850	0.2
121.06503	1.2
121.10120	0.2
122.03627	0.2
123.04420	2.7
123.08009	0.1
124.05195	1.3
125.05968	0.2
126.07606	0.1
127.03902	1.2
128.04260	0.2
131.04915	4.1
131.08618	0.2
133.06477	1.2
133.10109	0.4
134.03624	0.1
135.04433	0.3
135.08041	0.2
135.11665	0.1
136.07559	0.1
137.05954	1.3
138.05516	0.2
140.07018	0.1
145.02831	0.1
145.04964	0.2
145.06468	0.2
145.10100	0.2
147.04405	2.8
147.08144	0.1
148.04790	0.2
149.05948	1.1
151.03902	0.6
151.07559	0.4
152.04665	1.1
153.05444	0.2
155.06960	0.2
157.06526	0.1
159.08046	0.2
159.11624	0.1
161.05975	1.3
161.09572	0.1
163.03897	0.1
163.07526	2.4
165.05487	0.2
165.09012	0.2
166.06242	0.3
167.07027	100.0
168.07387	1.6
173.05946	0.2
174.09277	0.1
175.07474	0.2
175.14822	0.2
177.05441	0.4
179.07013	0.5
180.10226	0.3
181.05045	0.3
181.08578	8.4
182.08922	0.1
183.06804	0.1
187.07501	0.1
191.06993	0.8
191.14273	0.2
193.08588	6.0
195.10168	0.4
201.09065	0.1
205.08606	0.8
207.06482	0.3
207.10158	0.3
209.08084	0.2
211.09639	11.8
212.09857	0.1
218.11678	0.1
223.09633	3.6
230.10313	0.1
236.12801	0.1
239.09065	0.2
249.11169	0.4
271.05954	0.2
283.05994	0.2
284.06308	0.1
313.07031	0.3
325.07037	0.1
326.07275	0.1
337.10516	0.1
341.13968	0.1
353.10098	0.2
355.15381	0.6
371.10883	0.1
385.16595	0.1
387.14523	0.2
389.12308	0.1
403.17642	0.2
459.20142	0.1
461.14697	0.1
478.32803	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	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05501	1.4
57.03436	2.1
59.04996	0.6
61.02922	5.6
65.03931	0.3
67.05499	4.8
69.03419	2.9
69.07066	1.4
70.88393	0.6
71.01341	0.3
71.04990	1.0
71.59911	0.2
73.02908	4.3
73.03297	0.3
79.05494	3.1
81.03414	2.8
81.07050	4.9
83.04976	0.4
83.08627	0.8
85.02416	0.5
85.02898	5.8
87.04445	0.5
91.03946	3.3
91.05472	2.9
93.07032	4.1
95.04976	1.1
95.08594	3.6
97.02891	4.2
97.06539	0.5
99.00805	0.2
99.04456	1.0
101.02378	2.0
103.03947	0.5
105.07053	1.9
107.08588	2.1
109.02873	0.9
109.06533	0.3
109.10162	1.5
111.08084	0.4
115.03960	0.4
117.07007	0.3
118.62634	0.2
119.08572	1.4
121.10130	2.1
123.08103	0.3
123.11685	0.4
127.03896	1.3
129.05527	0.2
129.07019	0.4
131.08548	1.3
133.10124	0.8
135.11690	0.7
145.04956	0.3
145.10091	0.6
147.11729	0.8
149.09616	0.7
149.13266	0.3
157.10115	0.4
159.11720	0.3
161.13264	0.3
171.38232	0.2
173.13283	0.3
175.11249	0.3
185.04227	0.6
193.12274	0.7
193.80966	0.2
203.05254	0.5
225.14911	0.3
227.86290	0.2
243.06055	0.4
243.08376	2.2
267.15784	0.5
269.12390	0.3
283.15155	4.8
335.25873	0.7
339.17831	0.7
469.20505	0.4
501.23016	7.2
519.29291	7.7
519.37091	0.4
617.40460	0.3
779.45398	100.0
780.45667	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	780.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05502	0.1
55.37660	0.1
55.90221	0.1
57.03424	0.2
65.03922	0.2
65.46561	0.1
67.05496	0.3
69.03427	0.8
69.07045	0.3
69.60708	0.8
70.06586	0.7
71.05013	0.2
71.94926	0.1
72.08150	0.6
73.02924	0.1
77.03920	0.1
78.04697	0.8
79.05487	1.0
80.75576	0.1
81.03414	0.6
81.07065	0.5
83.04981	0.2
84.04514	0.1
84.08134	0.2
85.02899	1.2
85.06528	0.2
86.06065	0.2
86.09698	0.2
91.05470	1.1
93.07043	0.7
95.04971	0.6
95.08608	0.5
97.02871	0.8
98.06010	0.1
98.20699	0.1
99.04449	0.2
103.05469	1.7
105.03371	0.1
105.07011	1.2
106.04169	0.5
107.04953	1.5
107.08560	0.3
109.02891	0.6
109.06510	0.3
109.10159	0.1
111.08076	0.1
112.07536	0.1
115.03938	0.1
115.05428	0.3
117.06968	0.1
119.04925	0.8
119.08587	0.3
120.08108	0.1
121.02850	0.2
121.06503	1.2
121.10120	0.2
122.03627	0.2
123.04420	2.7
123.08009	0.1
124.05195	1.3
125.05968	0.2
126.07606	0.1
127.03902	1.2
128.04260	0.2
131.04915	4.1
131.08618	0.2
133.06477	1.2
133.10109	0.4
134.03624	0.1
135.04433	0.3
135.08041	0.2
135.11665	0.1
136.07559	0.1
137.05954	1.3
138.05516	0.2
140.07018	0.1
145.02831	0.1
145.04964	0.2
145.06468	0.2
145.10100	0.2
147.04405	2.8
147.08144	0.1
148.04790	0.2
149.05948	1.1
151.03902	0.6
151.07559	0.4
152.04665	1.1
153.05444	0.2
155.06960	0.2
157.06526	0.1
159.08046	0.2
159.11624	0.1
161.05975	1.3
161.09572	0.1
163.03897	0.1
163.07526	2.4
165.05487	0.2
165.09012	0.2
166.06242	0.3
167.07027	100.0
168.07387	1.6
173.05946	0.2
174.09277	0.1
175.07474	0.2
175.14822	0.2
177.05441	0.4
179.07013	0.5
180.10226	0.3
181.05045	0.3
181.08578	8.4
182.08922	0.1
183.06804	0.1
187.07501	0.1
191.06993	0.8
191.14273	0.2
193.08588	6.0
195.10168	0.4
201.09065	0.1
205.08606	0.8
207.06482	0.3
207.10158	0.3
209.08084	0.2
211.09639	11.8
212.09857	0.1
218.11678	0.1
223.09633	3.6
230.10313	0.1
236.12801	0.1
239.09065	0.2
249.11169	0.4
271.05954	0.2
283.05994	0.2
284.06308	0.1
313.07031	0.3
325.07037	0.1
326.07275	0.1
337.10516	0.1
341.13968	0.1
353.10098	0.2
355.15381	0.6
371.10883	0.1
385.16595	0.1
387.14523	0.2
389.12308	0.1
403.17642	0.2
459.20142	0.1
461.14697	0.1
478.32803	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	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05516	1.6
57.03431	1.9
61.02924	4.6
67.05504	3.7
69.03427	3.3
69.07056	1.5
70.13058	0.5
70.13476	1.0
71.04984	1.3
73.02913	3.6
78.76397	0.3
79.05498	3.9
81.03412	3.5
81.07053	5.0
83.04991	1.4
83.08619	0.8
85.02907	6.1
85.03413	0.3
85.06557	0.4
87.04467	0.4
91.03942	2.1
91.05478	4.8
93.07039	4.2
95.04953	1.9
95.08600	3.2
97.02898	4.6
97.10191	0.3
99.04453	1.3
101.02379	1.7
105.07029	4.1
107.04934	0.5
107.08590	2.4
109.02885	0.7
109.06523	0.6
109.10184	0.7
111.08031	0.4
113.06020	0.4
113.77773	0.4
115.03899	0.5
117.07048	1.2
119.08598	2.8
121.06488	0.5
121.10134	1.3
123.04478	0.8
123.08072	0.5
125.09608	0.3
126.13136	0.3
127.03912	2.1
129.07025	1.3
131.08553	1.7
133.06563	0.3
133.10146	1.6
135.11707	0.5
137.09688	0.3
142.07849	0.3
143.08578	0.9
145.10149	1.2
147.04399	0.6
147.08125	0.3
147.11716	1.6
149.09622	0.8
153.01889	0.4
157.10138	0.9
159.11714	0.6
161.13278	0.8
167.07065	0.6
171.11703	0.5
173.13277	0.4
175.03912	0.4
175.07593	0.4
175.11128	0.7
175.14738	0.3
185.04297	0.8
185.13277	0.6
188.20123	0.3
193.12303	1.2
203.05212	0.4
207.06517	0.5
211.13248	0.4
243.08379	2.4
247.13005	0.3
251.12575	1.2
263.67694	0.3
285.16812	0.3
307.15222	0.6
309.07538	0.3
333.20291	2.2
369.13284	0.4
379.12054	0.6
389.23087	0.9
411.14374	0.7
465.20966	5.1
469.20483	6.2
551.28351	7.2
693.34869	1.2
779.41833	100.0
780.42194	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	779.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
55.05501	1.1
57.03410	0.6
59.04965	0.4
61.02914	0.5
65.03923	1.1
67.05492	2.2
69.03421	2.5
69.07069	4.5
70.06590	0.6
71.04970	0.9
72.08136	1.3
73.02893	0.5
77.03903	0.4
79.05485	1.6
81.02970	0.5
81.03419	6.7
81.07055	4.4
83.04979	0.8
83.08592	0.7
84.08112	0.4
85.02908	5.0
85.06548	0.4
85.57898	0.4
87.04481	0.4
89.03917	0.7
91.05477	24.5
93.07034	2.5
95.04960	1.5
95.08606	3.3
96.08937	0.5
97.02889	2.4
97.06516	0.9
97.10160	0.5
98.21455	0.7
99.04446	1.0
103.05464	2.2
105.03382	0.6
105.07040	2.9
106.07385	0.3
107.04943	0.9
107.08577	2.1
109.02873	2.7
109.06516	1.0
109.10152	2.2
111.04437	0.6
115.05461	0.5
117.06979	0.7
118.04232	0.4
119.04938	30.4
119.08549	2.9
120.05286	0.4
120.08891	0.4
121.02847	1.5
121.06524	0.6
121.10178	2.0
123.04433	0.5
123.11702	1.1
125.05984	1.0
127.03905	3.8
128.06233	0.4
129.03355	0.7
129.06909	0.7
131.04912	4.7
131.08546	0.8
132.02051	1.1
133.06494	0.5
133.10115	2.0
134.03615	0.4
135.04393	1.0
135.11681	1.6
136.05191	0.5
137.05962	1.2
137.13251	0.6
138.05481	0.5
139.03886	0.6
139.07562	0.3
141.01796	0.7
142.07742	0.4
143.08511	0.4
143.56700	0.4
145.02837	1.4
145.04903	0.9
145.06485	1.0
145.10127	1.9
147.04404	33.2
147.11655	1.4
148.04788	1.3
149.02350	1.0
149.06027	0.6
149.09618	0.5
149.13228	0.8
151.03967	0.6
151.07565	0.8
153.05472	0.6
157.03979	1.9
157.06461	1.9
157.10107	0.9
159.04405	4.8
159.08057	0.8
159.11681	1.1
161.06027	0.7
161.13304	1.1
162.03027	0.4
162.13582	0.4
163.03911	0.5
163.11153	0.6
164.04681	1.1
165.09067	0.4
165.12766	0.4
167.07036	3.4
169.06395	0.4
169.10072	0.6
171.08002	0.5
171.11734	0.6
172.11911	0.3
173.06003	1.8
173.09575	0.5
173.13228	0.8
175.03903	49.7
175.14818	0.8
176.04224	0.7
177.05472	6.7
177.12660	0.6
177.16409	0.7
179.07014	2.9
179.08557	1.3
181.06490	0.4
182.07239	0.4
183.02800	0.4
187.07495	0.4
187.14876	0.6
189.16435	0.7
191.14296	0.4
191.17987	0.4
192.04134	0.8
193.08514	0.5
197.09647	1.4
201.09044	0.4
201.16588	0.5
203.03232	0.4
203.14244	0.5
203.17979	0.8
205.04840	0.4
207.06520	100.0
208.06868	1.5
215.10675	7.5
216.07426	0.4
220.17570	0.4
225.07422	0.5
230.69493	0.4
251.11690	1.0
263.11691	0.7
265.13409	1.0
271.06131	0.6
281.12302	0.4
283.06058	0.4
291.10898	0.4
293.08063	0.4
295.06067	1.4
297.07620	0.7
307.06052	1.3
307.09445	0.6
308.06625	0.4
309.07654	0.4
311.13852	1.0
313.06976	1.7
321.07611	0.7
321.11481	0.5
322.08267	0.6
323.09045	0.8
324.06235	2.6
325.06882	1.8
327.08667	0.6
329.13910	0.5
332.10532	0.4
333.07538	0.5
335.09061	1.1
336.06232	0.9
336.09818	0.4
337.07098	2.5
339.08615	5.9
339.12903	0.6
347.09146	0.5
349.07108	1.2
351.11249	4.8
353.10382	0.5
353.14856	0.7
359.09409	0.5
360.09958	1.7
363.08627	3.0
364.09232	0.6
365.10046	0.9
367.11783	0.7
369.11841	5.0
371.16098	0.8
375.12396	3.5
377.09995	0.4
378.10980	6.1
379.11838	0.5
391.08057	0.8
393.13309	22.8
394.13681	0.4
396.11694	0.5
403.09760	0.5
409.09027	0.6
411.14368	61.1
412.14774	1.3
421.34637	1.3
427.10248	2.0
439.35513	0.9
445.11453	0.9
451.10718	0.4
459.31079	0.5
477.31711	0.6
478.32339	0.5
492.21362	0.8
495.32538	0.5
529.13550	0.5
533.21277	0.4
547.14423	0.6
551.17505	0.5
569.18298	0.5
618.24304	0.6
623.18805	0.8
636.25793	1.8
641.20026	1.0
654.26666	0.9
659.20892	1.4
689.21973	0.6
779.24744	0.6
779.45288	0.6
806.72894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
59.69683	0.2
65.03939	0.9
67.05499	0.6
69.03426	1.3
69.07071	0.4
70.75822	0.6
71.04969	0.2
73.02898	0.2
76.03136	0.3
77.03922	0.6
79.05478	0.3
81.03413	4.4
81.07031	0.6
85.02898	1.7
87.04398	0.2
89.03910	0.6
91.05475	19.5
92.48573	0.2
93.07047	0.4
95.04948	0.6
95.08603	0.4
97.02896	0.9
99.04440	0.7
103.05450	0.5
105.03384	0.5
105.07024	0.5
107.04936	0.3
107.08578	0.3
108.05762	0.2
109.02856	1.7
109.10139	0.3
119.04937	30.6
120.05218	0.3
121.02856	0.4
121.10128	0.3
123.04440	0.3
127.03938	0.8
129.03401	0.3
129.04427	0.2
131.04865	0.5
132.02068	1.0
133.02849	0.5
134.03606	0.3
135.04442	0.4
136.05171	0.5
137.05952	0.3
143.08565	0.2
145.02823	0.6
145.10194	0.2
146.03572	0.2
147.04399	25.9
149.02336	0.9
150.03131	0.4
151.03908	0.5
157.03961	2.5
157.10146	0.2
160.01544	0.3
160.70047	0.2
163.03868	0.5
164.04732	1.1
167.07042	1.1
175.03894	45.5
176.04324	0.5
179.07018	2.2
192.04222	1.0
198.06776	0.4
207.06514	100.0
208.06845	0.8
213.05528	0.5
225.07521	0.5
226.06183	0.3
227.07063	0.5
229.04961	0.3
239.06770	0.2
247.06004	0.4
280.31973	0.2
287.10199	0.2
289.08392	0.2
297.07401	0.3
303.10016	0.4
306.81006	0.2
307.09518	0.5
308.06744	0.3
313.06921	0.3
321.07581	0.5
322.08438	0.2
322.12048	0.3
323.09094	0.4
324.06238	3.0
325.07104	0.4
332.10480	0.3
335.09100	1.1
336.06302	0.9
337.07104	0.4
339.08597	5.0
343.09235	0.3
349.07053	0.5
349.10721	0.3
350.07800	0.7
351.10956	6.0
359.09122	0.5
360.09811	2.0
361.10742	0.3
363.08615	2.4
364.09320	0.6
365.10126	0.9
369.11865	5.3
375.12228	3.7
377.10266	0.6
378.10950	6.2
379.11353	0.4
393.13293	21.8
394.13657	0.6
395.11072	0.4
396.11896	0.7
411.14355	63.6
412.14813	1.6
617.19226	0.2
779.23682	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	778.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69697	0.0
55.01862	0.1
55.05505	0.1
55.08062	0.0
57.03425	0.1
60.04516	0.1
61.02916	0.1
64.03168	0.0
65.03621	0.0
65.03951	0.1
66.04717	0.1
67.05506	0.1
68.99772	0.1
69.03417	0.2
69.07069	0.1
69.31958	0.4
70.06586	0.1
71.04960	0.0
72.08144	0.1
75.40974	0.0
77.03938	0.1
78.04702	0.9
78.05139	0.1
79.05485	0.6
79.58956	0.0
81.03427	0.2
81.07053	0.2
85.02898	0.7
85.06516	0.0
86.09691	0.0
87.04488	0.0
91.03966	0.0
91.05463	0.4
91.41305	0.0
92.02618	0.0
93.03394	0.1
93.07051	0.3
94.04176	0.1
95.04961	0.4
95.08577	0.1
96.04496	0.0
96.05730	0.1
97.02879	0.4
97.06503	0.0
98.65109	0.0
99.04458	0.1
103.05449	0.2
105.03370	0.1
105.07019	0.6
106.04158	0.5
107.04950	1.1
109.02864	0.2
109.06512	0.1
111.04489	0.1
111.08076	0.1
115.05410	0.2
117.07022	0.1
119.04909	0.1
119.08604	0.1
121.03981	0.0
121.06508	0.5
122.03584	0.3
123.04418	2.6
124.05202	1.1
125.05985	0.1
127.03893	0.3
129.06998	0.1
131.04912	0.1
131.08568	0.1
133.06488	0.6
133.10080	0.0
134.03621	0.2
135.04390	0.1
137.05969	1.6
138.05406	0.1
139.07477	0.1
140.04652	0.1
141.06924	0.0
143.04854	0.0
144.06529	0.1
145.04924	0.2
145.06467	0.2
147.04361	0.2
149.05951	0.7
151.03876	0.5
151.07510	0.1
152.04668	1.1
153.05272	0.1
155.06992	0.1
156.05659	0.1
157.06462	0.1
159.07985	0.1
160.05084	0.1
161.05977	0.6
162.07591	0.2
163.07529	0.1
165.05534	0.1
166.06252	0.2
167.07021	100.0
168.04193	0.1
168.07352	1.1
172.05243	0.0
173.05968	0.4
174.06615	0.0
175.07524	0.9
177.05473	0.1
178.06229	0.1
179.07011	0.4
180.08723	0.2
181.08568	0.8
187.07533	0.5
189.09064	0.2
190.06245	0.1
191.07039	0.0
191.82831	0.0
193.08585	4.6
194.08911	0.0
200.12108	0.0
205.08588	0.8
207.10141	0.1
209.07945	0.0
211.09633	13.5
212.10014	0.1
217.08635	0.4
219.10155	0.2
223.09651	0.1
235.09639	0.5
235.14340	0.1
239.09000	0.1
241.10602	0.1
247.09680	0.1
249.11209	0.1
261.09045	0.1
265.10632	0.4
277.08545	0.1
278.09326	0.1
285.07501	0.1
291.95328	0.0
293.11508	0.1
300.09854	0.1
301.10666	0.1
309.11328	0.1
313.06995	0.1
313.10162	0.0
319.11783	0.0
321.11145	0.1
325.06958	0.1
326.07544	0.1
339.12344	0.1
341.13824	0.2
353.13852	0.4
371.14917	0.9
427.17422	0.1
494.31464	0.0
581.23431	0.1
637.25360	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	778.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.05506	0.1
57.03419	0.1
58.67717	0.1
61.02907	0.1
65.03921	0.1
66.04684	0.1
67.01957	0.1
67.05498	0.1
68.99786	0.1
69.03432	0.3
69.07042	0.1
69.38258	0.4
69.38683	0.2
70.04069	0.2
70.06586	0.1
71.04988	0.1
72.08128	0.1
77.03890	0.1
78.04700	0.8
79.05479	0.7
81.03407	0.3
81.07050	0.2
83.04990	0.1
84.08150	0.1
85.02897	1.0
85.06521	0.1
86.09704	0.1
87.04435	0.1
91.03974	0.1
91.05465	0.7
93.07055	0.3
95.04961	0.4
95.08574	0.1
96.05716	0.1
97.02862	0.5
98.06017	0.1
99.04433	0.1
103.05441	0.3
103.06042	0.1
105.03365	0.1
105.04508	0.1
105.07012	0.8
106.04161	0.5
107.04949	1.2
107.08604	0.1
109.02866	0.3
109.03501	0.1
109.06525	0.1
110.03609	0.1
111.04425	0.1
113.02326	0.1
115.05446	0.2
117.06998	0.1
118.04136	0.1
119.04951	0.3
119.08527	0.2
121.06479	0.5
122.03632	0.2
123.04416	2.6
124.05198	1.2
125.05973	0.2
127.03890	0.5
128.06149	0.1
129.07011	0.3
131.04881	0.2
131.08519	0.1
132.05698	0.1
133.06476	0.8
134.03600	0.2
135.04391	0.2
135.08084	0.1
136.05217	0.1
137.05986	0.5
137.06952	0.1
139.07512	0.1
140.04594	0.1
144.06551	0.1
145.02827	0.1
145.04915	0.2
145.06454	0.2
147.04369	0.5
147.08017	0.2
148.05006	0.1
149.05942	0.8
151.03915	0.5
151.07567	0.3
152.04652	1.1
153.05397	0.2
155.07002	0.1
159.08026	0.3
160.05086	0.1
161.05963	1.2
161.13213	0.1
162.07597	0.2
163.03906	0.1
163.07503	0.1
165.05522	0.1
165.09045	0.1
166.06194	0.2
167.07018	100.0
168.04150	0.1
168.07364	1.0
171.08037	0.1
172.05211	0.1
173.05942	0.1
174.06725	0.1
175.03935	0.1
175.07521	1.4
177.05476	0.3
177.09167	0.1
178.06212	0.1
179.07011	1.3
180.08807	0.3
181.08563	1.9
181.10182	0.1
187.07530	1.1
189.09068	0.4
191.07011	0.6
192.07826	0.1
193.08585	4.9
199.07439	0.3
205.08629	0.3
206.07169	0.1
209.08040	0.1
211.09630	14.4
212.09962	0.2
217.08568	0.2
221.09592	0.2
223.09602	0.6
234.06599	0.1
235.09619	0.1
241.10651	0.1
248.08521	0.1
249.09006	0.3
251.06859	0.1
260.08218	0.1
261.08975	0.1
277.08560	0.2
278.09177	0.1
279.10147	0.1
281.11740	0.5
289.08612	0.2
291.09729	0.1
295.09534	0.1
304.43280	0.1
306.03003	0.1
307.09445	0.1
309.11166	0.5
309.95883	0.1
310.12048	0.1
319.11414	0.1
321.11145	0.3
323.12891	0.1
326.11758	0.1
335.02161	0.1
339.12018	0.1
341.13791	3.6
347.12686	0.1
353.13785	1.1
355.15292	0.1
357.13062	0.1
359.11203	0.1
359.14951	0.8
365.13879	0.1
367.15356	0.2
368.03732	0.2
371.10422	0.1
371.14865	0.8
379.15192	0.5
389.15829	0.2
397.16501	0.1
415.17575	0.1
501.18973	0.1
533.21802	0.4
551.22748	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	777.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	0.7
57.03378	1.7
60.96935	0.3
61.02864	2.1
67.05454	0.7
69.03423	8.6
69.07003	0.5
69.91281	1.9
71.01306	0.5
71.04926	1.4
73.02873	0.6
73.97421	0.3
79.05451	0.4
81.03401	3.8
81.06995	0.9
83.01273	0.4
83.04906	1.0
83.08591	0.5
85.02895	27.3
85.03384	1.0
87.04430	0.8
87.52672	0.3
91.03895	1.0
91.05416	0.8
93.06960	1.0
95.04906	0.6
95.08525	1.0
97.02882	9.2
99.04460	1.7
101.02341	0.7
105.07031	0.6
105.51526	0.3
106.04072	0.3
107.04919	0.6
107.08549	0.7
109.02876	3.5
109.06462	0.4
109.10083	0.6
111.04356	0.5
117.03323	0.9
117.06944	0.5
119.04876	0.9
119.08533	0.5
121.10089	0.5
123.04341	1.0
123.33479	0.3
127.03902	6.4
129.06897	0.6
131.08472	0.6
133.10042	0.6
134.03630	3.1
135.11676	0.4
135.83295	0.3
136.34181	0.3
137.05844	0.5
141.01846	0.4
145.02788	0.5
145.03934	0.4
145.04941	5.1
145.06053	0.6
145.06476	0.3
145.10025	0.4
147.04399	1.7
149.05940	0.6
149.09544	0.4
151.03786	0.8
157.06436	0.5
159.04288	0.5
163.05943	0.7
167.06943	1.0
175.03810	0.6
177.05386	1.4
178.05888	0.4
185.05858	0.4
187.07503	0.4
189.05383	1.6
195.68086	0.3
200.02869	0.4
207.06432	0.5
213.05455	2.4
217.10043	0.4
230.05774	0.5
231.06465	0.5
241.12590	0.3
245.09557	1.5
247.07492	0.8
261.08963	0.6
262.09784	1.3
273.09052	1.1
275.07013	0.8
289.08438	1.0
289.11517	0.3
290.09406	1.6
291.10052	0.4
292.07248	0.5
293.08011	0.4
295.05820	0.5
298.04724	0.4
301.08530	1.8
305.11533	0.8
307.06006	0.4
307.09518	0.8
310.04718	5.8
313.07153	0.6
317.08109	1.0
318.08792	5.0
319.09308	0.6
321.07385	0.6
322.04782	0.7
322.08267	1.1
323.05286	0.4
324.06152	0.5
325.07016	17.9
326.07443	0.8
329.08090	2.3
333.11179	5.9
335.09070	0.9
336.06131	0.6
336.09784	1.2
337.06961	1.4
337.10693	1.8
339.08609	0.7
343.09592	0.4
345.07272	2.0
346.08328	13.1
347.08694	0.7
349.06891	0.7
350.07584	0.4
351.08444	0.6
351.12363	0.5
357.09671	0.4
361.10669	33.9
362.11041	1.0
363.08612	1.4
364.09363	12.5
365.10037	0.9
367.07761	0.4
367.11880	2.3
379.11722	100.0
380.12003	3.6
381.13272	2.8
385.12805	0.8
391.11487	0.4
393.13147	0.9
395.10867	0.5
397.12726	3.8
409.12720	0.6
411.14279	0.5
421.12772	1.0
433.16367	1.1
435.18005	60.6
436.18250	2.5
437.33951	0.8
438.16306	0.4
439.16806	0.5
452.18082	0.4
453.19128	6.6
541.17017	10.7
542.17401	0.4
543.18469	1.3
559.18054	1.3
597.23260	31.4
598.23846	0.9
615.24304	3.0
785.52277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.05495	0.4
55.11291	0.2
57.03413	0.3
67.05479	0.8
69.03429	1.3
69.07047	0.6
71.04958	0.4
71.63708	0.3
72.08170	0.2
77.03889	0.2
79.05473	0.6
81.03396	0.9
81.07032	0.7
83.04976	0.5
83.08604	0.4
85.02895	1.7
85.06523	0.4
91.05466	1.9
93.07026	0.9
94.06516	0.3
95.04953	0.5
95.08589	0.9
97.02911	1.1
99.04408	0.3
103.03947	0.2
103.05443	0.4
105.07009	0.8
107.04915	0.5
107.08580	0.6
109.02850	0.7
109.10123	0.6
111.04427	0.3
115.05423	1.0
119.04926	2.0
119.08537	0.4
121.02866	2.2
121.03747	0.3
121.06502	0.4
121.10103	0.5
123.04444	0.4
123.11668	0.3
127.03912	1.7
128.06194	1.0
129.06989	1.7
131.04926	0.3
131.08513	0.4
133.06404	0.2
133.10132	0.5
135.08047	0.2
135.11526	0.2
137.05917	0.4
137.13177	0.2
139.07512	0.2
141.06955	1.2
142.07777	3.0
143.04916	1.9
143.08516	1.0
144.05696	2.0
145.02808	0.4
145.06470	1.1
145.10068	0.4
147.04401	1.5
149.13219	0.2
152.06190	4.5
153.06924	0.3
154.07782	0.2
155.04892	0.4
155.08543	0.8
157.06471	5.2
157.10098	2.0
159.04390	0.4
159.08061	0.4
159.11661	0.3
160.00450	0.2
161.05951	0.6
161.09625	0.3
163.03871	0.3
165.06960	2.8
166.07710	1.1
166.09018	0.2
167.07037	1.9
167.08504	9.5
169.06416	2.3
169.07550	0.3
169.10088	0.2
170.07260	4.5
170.08719	0.3
171.04393	3.3
171.08035	4.1
173.05943	0.5
173.09610	0.9
175.03899	1.6
175.31041	0.2
177.05457	0.4
177.06866	0.5
179.08585	0.2
181.06451	2.3
181.10085	0.3
182.07303	0.2
183.08043	1.2
184.05278	0.6
184.08757	0.3
185.05988	1.5
185.09598	7.2
187.03853	0.2
187.07564	0.3
189.01791	0.3
191.03383	0.6
194.07115	0.3
195.08034	33.1
196.08505	0.6
197.05922	2.4
197.09729	0.2
198.06772	4.3
199.11203	0.5
201.05357	0.4
203.03381	0.3
205.05023	0.2
207.02858	0.8
207.06511	2.8
209.04376	0.3
209.09584	0.5
211.07526	0.7
211.11226	0.4
213.09079	100.0
214.09448	1.7
217.05051	0.2
221.04330	0.3
225.09123	0.5
227.10611	0.2
237.09087	0.6
241.08525	0.2
251.10638	0.2
255.06195	0.2
255.10141	3.5
267.06442	0.3
268.07278	0.5
271.06055	0.3
279.06522	0.6
279.10144	0.2
280.07080	0.2
283.05923	0.8
292.07028	0.2
293.08051	0.3
294.05289	0.9
294.08307	0.2
295.05948	3.3
295.08969	0.3
296.06586	0.4
297.07474	0.4
297.11066	0.3
304.78473	0.2
307.05988	4.7
308.06769	1.0
309.07547	1.9
309.11053	0.3
310.04608	0.4
310.36209	0.2
311.05402	0.3
313.07074	1.0
319.05991	0.6
320.06503	0.3
321.07510	1.4
321.10928	0.3
323.05524	0.3
323.09036	0.3
324.06171	0.2
325.07031	4.7
327.08670	0.2
333.07568	0.9
335.09039	0.6
336.06268	0.4
337.07025	4.9
337.10977	0.4
339.08575	0.6
339.12311	0.3
343.09143	0.2
343.13159	0.4
345.07471	0.4
347.09088	0.5
349.07010	1.8
349.10828	0.3
351.08783	0.7
355.08081	0.7
357.13287	1.1
359.09109	0.2
361.06998	1.5
361.10687	0.4
363.08725	0.6
365.10138	0.4
367.08051	1.1
367.11813	0.4
373.06894	0.4
375.09238	0.3
375.14331	3.8
379.08044	1.8
379.12000	0.4
385.08737	0.5
385.13040	0.4
391.07938	2.1
391.12015	0.3
393.13483	0.4
397.08859	0.4
399.10538	0.6
403.09808	1.3
403.15536	0.2
409.08975	1.0
409.12766	1.0
411.14456	0.4
415.08435	0.2
418.43619	0.2
421.09174	1.1
427.10175	8.7
433.09253	0.8
439.10004	0.4
445.11279	2.1
451.09769	1.0
453.19113	3.2
457.11020	0.7
463.11099	0.4
469.11221	1.9
475.10638	0.3
481.10895	0.4
491.14676	0.6
493.10919	1.0
499.12033	0.4
503.14215	0.5
511.12396	1.2
519.14264	0.8
521.15918	1.0
529.13281	1.0
531.14124	0.7
545.15924	0.3
547.14398	1.5
549.15491	2.6
550.16022	0.2
567.16193	2.6
573.15253	0.6
575.16193	0.4
591.16083	0.3
595.18665	0.2
603.16620	1.0
621.17578	5.0
639.18506	4.8
657.19501	3.5
669.19379	1.4
681.18463	0.2
687.20532	3.5
723.19885	0.3
727.40918	0.3
741.20709	1.0
759.22626	1.2
777.23920	3.1
777.37921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95580	0.4
67.05496	0.7
69.30820	1.1
69.31225	4.1
71.25907	0.4
73.06553	0.5
79.05492	4.5
83.04018	0.4
87.04453	3.9
89.06026	27.5
91.05469	1.8
91.07511	0.6
93.07031	0.9
95.04970	2.3
100.05177	0.5
103.05458	4.2
105.07021	100.0
106.07359	0.8
107.07081	0.9
117.07008	0.5
118.39767	0.4
119.04974	0.5
121.06497	6.6
129.06963	0.9
130.08618	1.3
131.07013	1.2
131.08553	4.0
133.08592	22.8
145.06383	0.6
147.08060	1.7
149.09613	1.1
165.09085	1.2
177.11214	9.1
191.10725	0.6
195.88640	0.4
209.11586	0.6
209.13362	0.7
221.13864	1.3
223.11142	1.3
225.12704	6.1
239.14941	0.9
251.14281	8.6
253.15884	1.6
255.15866	0.5
269.15347	3.5
283.17624	0.6
295.16858	0.8
313.17987	2.2
315.17969	0.7
327.17432	1.1
329.18936	5.6
359.20670	1.3
373.21747	4.4
417.23947	0.7
447.25842	1.8
463.26935	1.1
477.27774	1.6
489.69397	0.5
507.29214	1.5
551.24445	0.8
551.32202	10.9
655.38348	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	776.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.1
55.05508	40.9
57.03433	17.7
57.07061	4.7
59.04982	3.4
61.02917	3.7
65.03945	2.1
67.05501	100.0
67.37870	1.2
69.03420	4.3
69.07066	18.6
69.59318	5.4
69.59737	4.5
71.01353	1.9
71.04985	4.6
79.05487	39.2
81.03413	5.0
81.07052	59.5
83.04976	6.5
83.08614	14.2
85.02897	15.4
85.06537	1.9
87.04456	5.9
91.03973	1.3
91.05473	25.7
93.07037	44.4
95.04976	6.9
95.08598	44.9
97.02874	4.5
97.06536	3.5
97.10163	20.2
103.03918	2.0
105.07026	17.1
107.04971	2.6
107.08586	30.3
109.06478	2.0
109.10149	56.1
111.04461	1.4
111.08093	2.9
117.07003	8.0
119.08572	18.1
121.06525	1.4
121.10136	20.6
123.08071	2.6
123.11706	4.1
125.09625	18.7
129.07027	2.4
131.08565	11.3
132.86057	1.3
133.10083	8.3
135.11702	14.4
137.09610	4.8
139.11151	2.4
143.08549	1.9
143.10680	5.4
145.10130	11.2
147.11682	6.5
149.09656	2.0
149.13264	7.4
155.10664	1.9
157.10132	2.7
159.10493	1.4
159.11696	5.1
161.13219	3.5
163.11169	4.3
163.14815	3.3
165.12788	1.4
171.11646	1.5
173.11729	17.6
173.13255	5.6
175.11215	1.8
175.14705	1.4
177.16295	1.3
181.12204	1.5
185.13327	1.4
187.14857	2.2
191.10724	2.4
193.12184	2.4
199.13283	9.4
209.11743	3.9
211.15005	1.3
213.14926	1.7
217.14322	1.5
227.12779	5.8
229.12067	2.9
229.14326	52.6
231.44186	1.4
243.21191	3.2
245.13818	3.1
259.20563	2.9
261.22141	15.2
267.15863	5.3
271.20578	1.4
283.15402	2.3
299.24020	1.6
301.16415	19.5
315.23312	1.8
317.24762	3.0
327.23108	2.1
333.24344	1.8
335.25784	79.6
336.26398	2.9
344.46783	1.2
363.25568	2.6
411.13754	1.4
451.31363	2.0
459.34668	1.6
477.35687	13.3
489.35693	22.0
525.35962	2.4
543.36945	6.2
561.37787	12.5
579.39136	2.5
777.43756	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	776.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17031	0.4
65.83942	0.4
71.62992	0.6
71.63455	0.6
73.06530	0.6
79.05493	4.6
81.07037	0.7
87.04462	4.6
89.06024	26.5
91.05472	2.1
93.07017	0.8
95.04956	1.3
103.05470	3.8
105.07022	100.0
106.07361	1.1
107.07056	1.6
119.08538	0.6
121.06497	6.5
130.08643	1.3
131.07034	1.3
131.08577	4.2
133.08595	19.6
133.10115	0.8
144.77052	0.4
145.22911	0.5
147.08061	2.4
156.77383	0.4
165.06935	0.4
165.09125	1.3
166.07661	0.5
173.09549	0.7
175.09668	1.0
177.11217	9.3
221.13870	1.8
223.11235	0.7
225.12724	6.8
227.12781	0.6
239.14841	0.7
251.14313	7.6
253.15918	1.1
269.15359	3.3
283.17661	0.6
294.81738	0.5
313.17984	0.9
327.17136	1.0
329.19034	4.3
357.20938	0.6
359.20535	0.9
373.21704	3.0
401.23041	0.6
417.23929	0.9
447.25912	2.1
463.26974	0.8
477.27945	1.7
507.29337	1.1
551.32135	10.1
590.40039	0.5
655.38232	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	775.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05518	0.5
56.05026	0.2
57.03423	0.2
61.02921	0.3
65.03963	0.3
67.05507	0.9
69.03426	1.8
69.07073	0.4
70.06599	0.6
71.04998	0.4
71.62840	0.3
72.08161	0.8
73.02930	0.3
78.04705	1.0
79.05495	1.6
81.03403	1.4
81.07056	0.9
83.04949	0.3
84.04529	0.3
84.08155	0.5
85.02898	1.7
85.06551	0.4
85.07669	0.3
86.06074	0.7
86.09702	0.2
91.05475	3.5
93.03421	0.3
93.07040	2.0
95.04974	1.5
95.08585	1.5
97.02878	1.5
97.06544	0.5
98.68006	0.2
99.04470	0.9
103.03976	0.3
103.05455	1.3
105.03390	0.7
105.07026	5.2
106.04194	0.7
107.04948	2.2
107.08589	1.1
109.02899	0.9
109.06528	0.5
109.10163	0.9
110.06046	0.5
110.07207	0.2
111.04462	0.4
111.08041	0.3
112.03945	0.4
115.05457	1.5
115.08645	0.2
117.07029	1.2
118.04163	0.3
119.04946	1.3
119.08597	0.8
120.05750	0.4
120.08102	0.3
121.02891	0.4
121.06506	5.4
121.10171	0.7
122.03668	0.4
123.04427	3.0
123.08080	0.4
123.11714	0.3
124.05244	1.2
125.06010	0.4
127.03913	3.6
129.07028	0.3
131.04924	0.8
131.08589	0.4
132.05730	0.4
133.06485	4.7
133.10127	0.5
134.03644	0.2
134.06822	0.2
135.04413	0.3
135.08052	0.7
135.11731	0.3
136.05185	0.6
137.05978	3.3
137.09547	0.3
138.05525	1.2
138.06718	1.1
143.04961	0.3
143.06056	0.5
143.08562	0.3
145.02844	0.3
145.06493	1.1
145.10092	0.3
147.04395	2.8
147.08069	0.7
147.11699	0.3
148.05008	0.4
149.05945	1.6
150.06738	0.2
151.03900	1.0
151.07520	1.7
152.04587	1.0
152.07069	0.3
156.06566	8.0
157.06865	1.1
159.04391	0.3
159.08052	0.3
159.11702	0.3
161.05974	7.7
162.06628	0.2
163.03941	0.3
163.07486	1.0
165.05472	0.5
165.09099	0.4
166.06258	1.6
167.07033	100.0
168.07397	2.1
169.06389	0.3
170.08130	0.2
173.05954	0.8
173.13254	0.2
174.07616	8.0
175.03909	0.8
175.07811	1.9
175.11189	0.3
175.14734	0.3
177.05499	1.3
177.09142	0.2
178.08638	0.6
179.06987	1.1
181.05223	1.9
181.08586	44.5
182.08942	0.9
187.07579	0.6
189.09116	0.3
189.12656	0.3
191.07013	3.6
191.08556	0.3
193.08597	14.5
194.08900	0.3
195.10117	0.8
205.08607	2.7
207.06505	1.0
207.10170	1.3
209.08084	1.1
211.09660	7.9
213.06613	0.2
217.08496	0.3
219.10164	0.7
223.09645	7.7
231.10228	0.5
235.09750	0.4
249.11307	0.5
255.06570	0.3
285.07593	1.4
295.05994	0.2
299.09125	0.3
309.07477	0.3
313.06989	0.2
325.07089	0.7
339.08353	0.4
343.07965	0.3
359.14777	0.2
385.12219	0.4
385.16925	1.1
387.14233	0.8
417.15176	0.4
545.21454	0.2
613.22455	0.5
775.28278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
55.05256	1.3
55.05507	16.9
55.75962	0.8
57.03178	1.4
57.03437	16.3
57.07074	2.5
61.02922	1.2
65.03935	2.7
67.05499	60.1
69.03414	2.7
69.07059	16.3
70.70942	2.5
71.04983	4.3
79.05134	0.9
79.05487	43.1
81.03413	83.0
81.07049	61.4
83.04980	6.3
83.08611	22.0
85.02900	1.3
85.06541	2.4
91.05059	0.5
91.05472	29.6
93.07037	47.6
95.04963	27.2
95.08601	44.4
97.02912	3.0
97.06539	3.3
97.10177	6.7
99.08107	2.1
105.07021	26.8
107.04944	8.0
107.08585	29.0
108.20684	0.9
109.02868	1.3
109.06513	6.7
109.10152	21.9
111.04427	1.5
111.08078	8.3
115.05458	1.6
117.06998	7.5
119.08578	22.6
121.06509	3.5
121.10127	23.2
123.04467	1.2
123.08060	1.9
123.11707	6.8
125.09615	4.3
129.06999	9.8
131.08549	21.3
133.06499	3.3
133.10126	14.9
135.08093	1.8
135.11685	16.2
137.09607	3.2
137.13246	2.0
142.07845	1.5
143.08588	2.3
145.06464	1.2
145.10106	8.9
147.08055	3.6
147.11673	15.2
149.09602	6.6
149.13252	8.9
151.11177	1.5
155.08571	1.2
157.10121	12.2
159.11679	8.6
161.06110	0.8
161.13260	6.3
163.11206	3.1
163.14839	3.7
165.12778	2.0
169.10161	1.6
171.11699	2.6
173.13235	6.7
175.11168	8.3
175.14871	2.6
177.16391	1.2
183.11665	1.2
185.13248	1.8
187.14851	3.6
189.11278	4.3
189.16457	0.8
193.12239	24.0
197.13171	0.9
201.12926	1.0
201.16383	1.4
211.13235	2.1
215.14206	0.9
216.60435	0.8
223.13239	1.1
227.12773	7.3
233.19043	1.0
233.22675	1.0
235.13252	2.0
243.15924	1.1
243.21056	6.0
249.14861	2.4
259.16327	0.8
259.20599	1.2
261.22147	19.1
267.15897	100.0
268.16367	1.8
273.15027	1.2
273.22229	0.9
279.23331	1.9
285.22150	1.0
301.14151	1.3
301.25293	5.2
309.16885	2.9
317.24780	4.0
333.24384	1.1
335.25778	94.4
336.26147	2.1
353.49194	0.8
354.62350	0.9
359.25946	0.9
367.11615	0.9
373.27554	1.0
403.24847	1.2
407.24622	1.3
408.47144	0.9
417.31436	1.6
421.25897	2.1
435.27310	2.8
435.32596	5.5
449.29111	1.5
453.33557	9.0
471.34879	4.4
509.36325	1.7
527.37323	67.3
528.37793	2.4
545.38367	61.3
546.38513	2.0
559.40338	1.9
569.38031	5.0
577.40723	1.2
611.39008	1.3
623.39362	1.8
635.39063	2.5
653.39752	1.2
671.41602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.1
55.05264	1.7
55.05513	33.5
57.03177	2.8
57.03436	36.2
59.04972	2.0
61.02916	3.8
65.03941	4.2
67.05502	70.4
67.05869	3.5
69.03420	14.4
69.07067	23.8
70.68762	4.9
71.04981	12.1
73.02921	3.8
77.03951	2.5
79.05489	77.9
81.03415	81.7
81.07053	76.2
83.04980	21.6
83.08612	36.5
85.02906	42.5
85.06543	9.8
87.00820	1.7
91.03956	2.7
91.05477	98.9
92.05811	2.0
93.07038	74.7
95.04964	39.3
95.08604	48.1
95.09216	2.2
97.02888	10.2
97.06542	14.4
97.10162	15.1
99.04474	3.0
99.08091	6.9
103.05443	4.0
105.07026	100.0
107.04939	15.4
107.08587	46.6
109.02857	5.2
109.06529	16.2
109.10137	16.3
111.04456	5.2
111.08083	17.4
113.06017	6.0
115.05452	8.4
117.07013	47.2
119.08575	75.6
121.06514	6.0
121.10142	28.4
123.04453	4.2
123.08050	8.6
123.11693	4.0
125.09624	12.3
127.03923	8.0
127.07545	2.6
128.06215	7.1
129.05531	3.4
129.06996	41.3
129.07906	3.2
130.07817	3.1
131.04897	1.9
131.08563	66.6
133.06512	5.8
133.10126	48.2
134.10509	1.5
135.08054	5.2
135.11673	11.0
136.54677	1.9
137.06001	2.1
137.09605	4.2
141.06995	7.1
142.07768	7.1
143.08554	24.5
145.06476	4.0
145.10112	60.0
147.08040	5.7
147.11696	41.9
148.12077	2.0
149.09613	20.4
149.13269	3.3
151.11156	2.7
153.06934	1.8
155.08531	11.8
157.10123	45.4
159.08067	2.4
159.11694	53.6
159.13022	2.8
161.09612	6.1
161.13272	12.4
163.11176	10.8
165.12737	5.5
167.07135	2.0
167.08559	3.2
168.09236	2.3
169.10117	17.2
171.08038	1.9
171.10338	3.0
171.11671	15.5
173.04414	1.8
173.09619	4.5
173.13261	22.4
175.11185	19.3
175.14876	7.0
177.12733	4.7
181.10146	4.6
181.12317	2.2
183.11694	13.0
185.13251	49.4
187.11147	2.6
187.14845	5.7
189.11250	5.8
189.12779	3.7
191.14294	4.4
193.12247	59.8
195.11717	5.2
195.13582	1.7
197.13316	12.2
199.14832	5.5
201.12865	2.7
201.16432	5.7
203.14301	14.5
205.15875	3.3
209.13293	2.4
210.14000	2.0
211.13266	79.4
213.16351	2.0
215.17857	2.6
217.15875	3.3
219.17453	12.5
221.13326	2.5
227.12695	14.2
229.14336	3.1
229.19537	9.4
239.17963	25.1
257.18985	69.5
259.20624	2.8
267.15891	27.2
273.18539	2.6
275.20065	64.1
277.18185	2.7
283.15466	3.7
285.16943	86.6
313.21655	3.7
331.22647	19.5
335.09171	1.8
337.21149	1.6
339.08704	2.3
349.23727	63.5
350.24484	2.3
377.24155	2.3
379.11578	2.2
381.13367	3.8
382.13730	9.0
383.21881	2.0
388.45413	1.6
389.18472	1.8
394.13809	4.8
411.14511	7.6
412.14856	8.5
419.24033	1.9
431.29401	4.5
437.25424	2.6
439.26865	2.2
449.30472	6.9
455.26431	3.3
467.31473	4.6
469.29330	2.0
471.31116	3.7
485.32642	2.3
487.30472	5.9
489.32315	1.9
501.31964	3.7
523.34436	11.4
541.26947	2.8
541.35211	50.7
559.36285	94.4
560.36627	5.1
577.36853	3.3
703.40405	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.5
55.05506	41.1
57.03434	22.5
57.07071	2.1
58.87464	1.5
59.05010	1.7
61.02913	5.0
65.03934	4.8
67.05499	78.9
69.03426	17.8
69.07063	43.0
71.04993	11.0
71.61417	1.7
71.61873	2.0
73.02909	3.3
73.38831	1.4
77.03908	2.4
79.05488	76.6
80.05772	1.7
81.03413	100.0
81.07054	93.2
82.03763	1.7
83.04979	31.2
83.08616	45.4
85.02898	41.0
85.03418	1.8
85.06539	6.3
87.04430	2.3
91.03930	4.2
91.05475	83.0
93.07037	77.5
95.04961	50.3
95.05435	1.1
95.08604	42.9
95.09222	2.2
97.02899	14.1
97.06526	25.3
97.10171	19.7
99.04443	5.3
99.08088	4.6
103.03954	2.8
103.05396	1.7
105.04565	1.7
105.07026	65.2
107.04954	21.1
107.08585	54.3
107.09159	1.7
109.02876	5.2
109.06510	11.2
109.10155	14.7
111.04472	4.7
111.08062	19.3
113.06007	3.7
113.09623	2.4
115.05450	4.1
115.07585	1.9
117.07003	19.5
119.04913	2.6
119.08575	48.2
121.06493	8.8
121.10130	24.3
123.04439	6.0
123.08036	7.5
123.11715	7.1
125.09637	21.5
127.03914	12.8
128.06209	2.1
129.06999	23.3
130.07832	1.8
131.08557	38.5
133.06488	5.7
133.10120	41.5
135.08041	5.1
135.11678	12.0
137.05949	2.4
137.09616	4.9
139.11140	1.7
141.07054	1.9
142.07755	7.3
143.08539	5.2
145.04936	3.7
145.10123	25.6
147.08078	7.4
147.11679	34.8
149.09601	26.0
149.13263	9.8
151.11130	3.2
153.09119	1.9
155.08543	3.1
157.10123	25.2
159.11696	16.7
161.09682	2.8
161.13223	8.0
163.06052	3.0
163.11192	11.9
165.12770	5.9
169.10127	5.0
171.10284	2.1
171.11659	5.6
173.04465	4.1
173.09673	2.2
173.11850	2.4
173.13188	8.4
175.11200	20.2
175.14810	2.8
177.12727	4.4
179.14369	4.2
183.11662	3.1
185.13223	3.8
187.11171	2.5
187.14803	2.2
189.11195	10.4
189.12651	1.8
193.12236	62.1
195.11819	1.9
195.13763	3.9
197.13229	3.8
203.14447	1.8
205.12187	2.2
211.13271	98.8
227.12755	28.4
229.14297	2.6
229.19429	3.0
239.17960	4.7
245.13763	2.0
247.20502	2.3
249.14931	2.5
255.15926	6.9
257.18982	14.4
267.15894	46.4
269.17456	22.7
273.18378	1.9
275.20047	49.7
285.16953	93.5
286.17270	3.8
293.21158	3.1
325.07150	3.1
329.00314	1.6
331.22687	4.5
347.08926	1.5
349.23715	50.0
350.23959	2.2
363.21652	2.1
366.10461	2.6
367.24548	2.2
381.13367	2.7
381.22699	2.1
382.13776	3.9
395.10989	2.6
396.50186	1.7
428.54840	1.6
437.25253	3.6
439.26788	6.1
447.27176	8.9
449.30255	2.9
455.26144	7.2
461.28845	23.1
463.30667	4.2
465.28497	14.9
467.30475	2.6
479.30038	62.8
523.33667	2.5
541.35291	33.6
542.35101	2.8
559.36273	70.0
560.35944	2.4
577.36768	11.4
605.33813	2.2
623.33502	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	774.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05503	0.9
57.03435	0.6
57.07074	3.0
59.04982	0.5
59.98331	0.5
61.02914	1.0
65.03925	0.4
67.05502	3.9
69.03423	4.6
69.07060	5.2
70.02969	2.5
70.06558	1.0
70.12387	1.9
71.04984	1.9
72.04509	7.8
72.08128	0.9
73.02908	4.0
73.20277	0.5
74.02417	0.8
79.05474	1.5
80.65933	0.4
81.03416	8.4
81.07050	2.6
83.04967	3.3
84.08105	0.7
85.02901	5.3
85.06534	4.2
86.09707	2.5
87.08096	1.0
90.05547	12.3
91.05465	1.5
93.07039	1.8
95.04960	4.7
95.08585	1.2
96.08112	1.2
97.02880	6.3
98.02408	5.3
98.09682	0.6
99.04424	2.2
100.03966	2.6
103.03927	0.9
103.07574	1.6
105.07027	1.7
107.04957	0.7
107.08591	1.2
109.02874	12.6
109.10140	1.1
111.04366	0.8
112.07595	1.0
113.06017	2.5
116.03446	9.4
119.04932	1.2
119.08567	1.5
121.10148	0.6
123.11731	0.7
124.07591	9.9
125.09554	0.6
127.03900	7.6
128.04228	0.5
130.50656	0.4
131.07030	0.9
131.08574	0.7
132.06563	4.1
132.10132	0.6
133.10123	0.8
135.08064	0.7
135.11700	0.7
137.05983	1.0
138.05513	1.3
138.75740	0.5
142.08627	8.1
145.04977	3.4
146.08095	0.7
147.04411	2.8
147.11655	0.6
149.05835	0.7
151.03885	0.7
151.07544	1.0
158.04491	0.6
160.09682	2.8
160.44601	0.5
166.08617	1.5
167.07043	3.1
171.11609	0.5
172.09639	1.5
174.11302	2.5
175.07553	0.7
177.05463	0.8
181.04929	1.3
184.09685	14.5
193.08513	0.6
198.07623	1.8
199.06013	1.8
202.10730	37.8
203.11298	1.1
211.09605	4.2
213.05408	1.1
216.08702	2.6
220.11798	7.0
227.07030	0.9
230.10199	5.3
234.09744	3.9
244.11780	1.1
262.08408	0.6
262.12839	7.1
279.57050	0.5
282.13361	0.7
309.07391	0.7
310.12808	4.3
313.06747	0.5
321.07477	0.8
323.09009	0.8
324.06326	3.4
325.06931	1.8
328.13885	24.5
329.93759	0.5
335.09113	1.6
336.06360	1.1
339.08582	7.6
340.08829	0.6
346.15048	4.9
349.06790	0.6
349.10706	0.7
350.07535	1.1
351.08337	2.2
357.10092	0.6
359.09183	0.6
360.09866	3.5
361.10574	0.6
363.08530	4.5
363.12378	1.1
364.12054	0.8
364.16046	9.5
365.10028	1.5
367.11780	0.8
375.12292	5.3
377.10522	1.0
378.10928	9.5
379.11649	1.5
380.12088	0.9
381.13220	2.1
382.13455	0.8
393.13287	33.0
394.13794	2.6
396.11890	0.9
405.14194	0.6
411.14355	100.0
412.14789	4.2
433.16260	0.9
451.17575	2.6
491.29883	0.8
628.24023	0.7
644.23352	4.8
706.94342	0.5
756.28400	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	772.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.0
55.05507	23.8
57.03432	15.2
57.07057	2.1
59.04993	3.4
61.02906	3.9
65.03941	2.9
67.05499	49.3
69.03426	6.6
69.07063	22.5
69.07445	1.0
69.72900	5.3
70.56087	0.8
71.01347	2.2
71.04993	7.5
71.08634	1.4
73.02912	2.1
77.03925	1.5
79.05487	44.0
81.03412	20.2
81.07050	61.6
83.01343	7.9
83.04977	16.7
83.08611	19.9
85.02898	10.0
85.06543	3.3
87.03882	0.9
87.04464	1.2
91.03929	1.6
91.04884	1.0
91.05473	37.0
93.07036	52.1
93.35978	0.8
95.04961	16.5
95.08601	21.7
97.02887	6.9
97.06527	10.2
97.10164	6.1
99.04453	3.7
99.08092	2.5
103.05457	1.8
105.07021	30.1
107.04954	14.1
107.08588	32.5
108.06721	0.8
109.02866	1.7
109.06514	8.8
109.10150	10.5
111.04440	3.5
111.08073	5.5
113.06055	1.3
113.84022	0.8
115.05424	1.5
116.06211	1.3
117.07004	15.3
119.04973	1.2
119.08558	20.4
121.06493	5.4
121.10143	17.2
123.04444	2.3
123.08052	11.9
123.11664	3.7
125.05985	2.7
125.09615	3.9
127.03917	3.4
128.06259	1.1
129.05489	1.4
129.07018	5.3
130.07838	1.8
131.08551	13.6
133.06485	3.1
133.10118	18.1
135.04356	0.9
135.08035	6.1
135.11685	20.5
137.09647	3.8
139.07582	2.0
139.11171	1.4
141.06964	1.1
142.07756	1.0
143.08556	4.3
145.06531	2.2
145.10100	20.5
147.08057	3.2
147.11700	7.5
149.09619	8.7
149.13255	9.6
151.11180	2.7
153.12758	1.8
155.08556	2.5
157.10109	3.8
159.08076	1.6
159.11691	8.9
160.01978	0.8
161.09653	2.1
161.13211	2.1
163.07500	1.0
163.11176	25.6
165.08942	1.0
165.12798	1.1
169.10172	1.7
171.11687	2.5
173.04472	1.7
173.09653	3.1
173.11829	1.1
173.13297	2.1
175.11189	2.3
177.12775	2.8
179.14278	1.0
181.12227	3.9
183.11752	1.0
187.14851	0.9
189.11227	1.6
191.10634	3.2
193.12262	3.2
195.13806	5.0
197.13283	1.2
209.11688	5.6
211.13252	4.5
217.15845	1.0
227.06781	0.8
227.12785	7.7
229.14256	1.3
229.19461	1.0
239.17865	1.3
247.20689	1.1
253.14374	3.3
255.15761	7.8
257.19016	3.7
265.14313	1.7
267.15866	4.8
269.17465	24.9
273.18436	1.9
275.20065	12.9
283.15372	71.1
285.16968	3.0
291.19559	3.7
293.21106	1.3
326.72437	0.8
331.22772	1.3
349.23773	12.5
365.23288	4.2
367.24606	2.3
395.11115	1.5
413.21667	2.3
437.25278	3.1
459.27405	2.7
463.26889	22.4
477.28439	100.0
478.28763	2.2
481.27432	1.0
501.27814	1.0
517.31921	1.2
539.33234	2.2
557.34796	20.0
575.35498	11.5
621.32562	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	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	19.1
55.05255	3.8
55.05505	50.5
55.05777	3.2
57.03437	27.8
59.04982	3.6
61.02919	6.5
65.03938	4.2
67.05502	73.7
68.48716	1.8
69.03426	18.7
69.06715	3.7
69.07063	56.4
71.01334	3.7
71.04984	10.2
71.62440	3.1
79.05488	80.7
79.05957	3.9
81.03411	56.2
81.07050	80.8
83.01344	7.6
83.04974	29.9
83.08614	41.9
85.02907	29.0
85.06550	6.2
91.05470	70.4
93.07040	78.2
95.04964	36.0
95.08604	41.6
97.02890	18.1
97.06530	18.7
97.10167	30.9
99.04447	4.2
103.05433	3.4
105.07023	57.0
107.04948	29.8
107.08591	56.4
109.02879	6.3
109.06503	14.4
109.10152	20.3
111.04424	4.9
111.08088	11.8
117.07001	23.0
119.08575	43.9
119.09382	1.4
121.06509	10.5
121.10139	29.3
123.04426	2.8
123.08064	13.7
123.11691	7.4
125.05972	2.4
125.09621	22.8
127.03899	6.5
129.06982	16.4
131.08559	32.9
133.06470	5.5
133.10115	30.3
135.08041	9.7
135.11681	22.5
137.09596	8.3
141.06989	2.8
142.07738	3.5
143.08553	7.6
145.06442	3.7
145.10120	38.4
147.08023	9.5
147.11676	17.3
149.06068	3.4
149.09608	20.2
149.13268	7.2
151.11188	2.6
153.12758	2.4
155.08571	3.0
157.10110	16.9
159.08043	3.3
159.11691	13.3
161.13269	3.1
163.11168	31.5
165.12726	4.9
169.10237	2.9
171.11728	3.6
173.09605	5.8
173.13220	3.6
175.11147	10.5
177.12761	4.4
179.14311	3.9
181.12228	5.6
183.11705	3.0
185.13292	3.0
187.11179	2.6
189.11192	11.5
189.12697	2.4
191.10710	3.7
193.12228	28.2
195.13751	4.2
209.11700	6.8
211.13278	39.8
223.13271	17.7
227.12733	50.6
229.14343	2.5
239.17963	5.3
245.59541	2.1
249.14850	4.9
255.15921	7.4
257.19003	8.5
265.14224	2.7
267.15894	26.6
269.17395	7.6
273.18433	15.3
275.20032	39.5
283.15372	92.3
285.16953	46.6
291.19540	83.1
291.22824	2.6
292.20010	2.6
331.22559	4.4
347.22748	3.0
349.23700	41.9
365.23141	43.7
381.13205	5.1
437.25198	3.2
453.24713	8.6
459.27390	2.8
461.28845	6.4
463.26999	15.6
477.28473	52.4
517.31689	2.9
539.33435	6.6
557.34698	100.0
575.35773	71.4
609.17236	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.7
55.05505	30.2
57.03434	21.4
57.07041	1.7
59.04977	2.9
61.02915	5.0
65.03913	3.3
67.05164	3.4
67.05502	44.7
69.03410	6.7
69.07064	17.6
69.41949	1.5
69.57788	13.2
71.04969	5.6
73.02919	3.1
79.05486	53.6
81.03423	18.5
81.07047	46.1
83.01341	6.0
83.04984	15.6
83.08611	23.0
85.02905	11.8
85.06526	5.5
91.03940	3.0
91.05475	58.0
92.87316	1.7
93.07040	57.1
95.04952	14.3
95.08601	28.7
97.02893	7.5
97.06512	10.6
97.10172	14.3
99.04449	4.9
99.08097	2.7
104.95033	1.6
105.07024	50.7
107.04964	12.4
107.08590	41.8
109.02876	3.4
109.06518	12.7
109.10147	15.6
111.04429	5.2
111.08070	5.9
115.05464	2.7
116.06296	1.9
117.07014	35.4
119.07265	1.7
119.08565	43.7
121.06512	5.4
121.10120	21.3
123.04389	4.2
123.08089	12.5
125.05993	3.7
125.09624	11.0
127.03893	5.2
128.06201	4.0
129.06978	18.8
130.07768	3.2
131.08553	33.0
133.10138	20.4
135.08047	6.8
135.11684	15.4
137.09668	3.0
139.07533	1.8
141.06992	3.6
142.07785	2.1
143.08536	16.3
145.10117	54.2
146.05078	1.6
147.04301	2.4
147.08018	3.7
147.11662	14.3
149.09599	8.7
149.13177	1.6
153.09006	2.3
153.56660	1.8
155.08565	9.9
157.10091	16.2
159.08006	2.4
159.11694	26.4
161.09598	4.1
161.13217	4.8
163.07640	1.7
163.11191	22.9
165.09181	2.0
165.12881	2.0
167.06984	1.7
169.10098	8.3
171.11636	7.2
173.09633	4.0
173.13239	10.8
175.11201	4.1
175.14842	3.3
177.05466	2.1
177.12691	3.0
181.12241	2.1
183.11700	8.6
185.13264	26.7
187.14792	2.9
189.11189	8.0
191.10706	3.7
191.14326	2.4
193.12273	3.3
197.13300	6.6
201.16364	4.2
203.14290	9.8
205.15807	2.5
209.11632	9.3
211.13145	3.0
219.17432	6.6
227.12769	24.5
229.19540	3.9
237.16508	2.0
239.17961	13.1
255.17380	2.5
257.18994	33.5
273.18488	4.1
275.20053	40.2
283.15366	100.0
291.19473	6.7
295.20636	3.3
313.21552	2.8
331.22589	12.0
349.23724	44.2
381.13336	3.5
401.23480	2.1
437.25436	3.4
447.29138	2.7
453.24680	6.8
465.29868	3.3
477.28799	1.9
485.28842	6.5
487.30002	2.1
499.30307	2.9
533.44574	2.0
539.33612	16.0
557.34711	81.5
558.34644	2.9
575.35382	6.8
599.35986	2.6
772.44495	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	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.2
55.05511	36.2
57.03431	20.4
57.07069	3.7
61.02922	8.2
65.03934	7.7
67.05504	98.4
67.96106	2.4
69.03428	17.1
69.07065	27.2
70.46227	2.7
70.46565	8.6
71.01341	3.4
71.04986	9.1
73.02940	2.3
79.05490	82.3
81.03414	28.1
81.07051	88.8
81.07514	5.7
83.04980	10.0
83.08630	19.0
85.02895	19.1
85.06542	4.7
91.03954	4.0
91.05480	81.6
91.10318	2.5
93.07042	100.0
93.07626	5.7
95.04977	22.0
95.08602	78.4
97.02886	17.5
97.06524	12.8
97.10159	5.6
99.04439	5.6
99.08087	2.8
103.05492	4.5
105.07027	80.8
107.04954	5.0
107.08581	46.8
109.02882	6.5
109.06533	12.5
109.10147	22.7
111.08089	3.0
115.05457	5.6
116.06269	3.7
117.07006	47.9
119.08572	49.8
121.06482	3.3
121.10128	29.6
123.04479	3.8
123.08064	8.1
123.11718	7.1
125.06123	2.7
127.03913	10.1
128.06245	8.0
129.05484	3.0
129.06985	29.9
130.07777	6.2
131.08565	59.7
133.06503	4.0
133.10110	39.5
135.08083	9.7
135.11691	18.1
137.09677	5.6
141.06970	8.8
142.07776	6.0
143.08549	21.2
145.06485	7.2
145.10127	52.9
147.08022	3.5
147.11691	24.9
149.09654	9.6
149.13229	14.2
151.11212	3.8
155.08553	12.5
157.10129	28.0
159.08054	7.0
159.11674	48.0
159.57732	2.7
161.09637	6.2
161.13255	11.2
163.11128	5.6
165.12793	3.5
167.08473	5.9
169.10097	14.1
171.08101	4.2
171.11687	18.6
173.09610	6.6
173.13264	23.0
175.11156	4.0
175.14854	4.7
177.12810	4.9
181.10155	6.4
183.11682	13.8
185.09673	3.3
185.13272	12.5
187.11220	4.5
187.14850	8.7
189.09077	3.1
192.18021	2.3
195.11734	8.0
197.09665	2.9
197.13261	12.4
199.11150	3.2
199.14818	7.7
201.12796	4.6
203.14319	2.5
209.13306	7.6
210.14001	3.0
211.14845	4.0
213.12796	2.7
213.16376	4.1
215.18031	2.9
217.15828	2.7
221.13354	3.5
229.19508	8.6
237.16525	4.4
239.17892	19.1
241.19543	7.6
243.17450	2.9
255.17482	4.0
257.15231	2.6
257.16409	3.4
257.19003	38.1
259.20642	10.1
261.22110	4.7
267.17517	2.7
271.20554	4.3
275.20071	27.5
299.19955	3.8
327.19431	3.1
331.22668	10.9
335.25790	61.7
349.23746	13.3
365.20862	4.9
367.24759	3.7
383.22165	3.8
401.23215	3.6
419.23874	6.7
475.26669	4.2
493.27817	5.6
591.44458	3.8
609.45160	59.0
651.45813	5.5
699.46838	3.6
735.48145	7.0
753.48914	10.6
771.50458	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.5
55.05509	35.0
57.03433	18.8
57.07075	4.1
58.78277	1.7
61.02920	10.9
65.03931	5.7
67.05503	99.3
69.03423	20.8
69.07064	34.0
70.17149	9.3
71.04983	9.1
73.02908	5.0
77.03938	2.6
79.05488	86.7
81.03417	22.6
81.07053	100.0
82.07392	2.5
83.04959	9.0
83.08604	16.3
85.02908	16.6
85.06522	3.8
87.04454	2.3
89.06019	2.4
91.03944	5.5
91.05476	84.1
93.07036	94.4
95.04965	20.9
95.08603	73.7
95.09224	2.0
97.02885	14.6
97.06522	7.8
97.10156	6.3
99.04446	4.4
99.08092	5.0
99.26306	1.9
103.05492	4.4
105.07020	79.1
107.04962	4.8
107.08593	46.7
107.09292	3.6
109.02885	6.7
109.06496	10.5
109.10143	24.3
111.04388	2.4
111.08093	6.2
113.06020	2.3
115.05454	6.8
116.06281	2.2
117.07011	52.8
119.08575	53.4
121.06517	5.8
121.10129	36.1
121.10995	2.0
123.04468	2.1
123.08067	5.8
123.11680	5.6
125.09578	3.3
127.03932	9.6
128.06223	8.1
129.05518	4.0
129.07004	28.0
130.07793	4.7
131.08565	58.9
131.09512	4.1
133.06427	4.9
133.10133	36.5
135.08057	7.8
135.11693	21.3
137.05992	3.4
137.09618	5.5
137.13258	2.9
139.11253	2.1
141.06989	10.3
142.07796	6.8
143.08551	24.0
144.09306	2.8
145.06444	4.9
145.10117	64.6
147.08043	6.5
147.11679	27.6
147.12752	2.4
149.09581	6.6
149.13269	10.8
152.43187	1.9
155.08546	13.4
157.10123	26.3
159.08072	4.9
159.11687	48.1
161.09624	6.8
161.13251	14.6
163.11255	5.4
163.14749	3.6
165.07030	2.8
165.09081	2.7
167.07043	2.1
167.08598	4.7
168.09351	3.0
169.10110	18.6
171.08087	3.4
171.11682	20.8
173.04518	2.5
173.09605	5.1
173.13264	27.3
175.11179	5.3
175.14815	5.4
177.12801	4.1
179.08498	3.4
181.10152	7.9
183.11685	17.3
185.09647	3.8
185.13208	16.6
187.11186	6.8
187.14842	8.3
195.11690	5.1
197.13303	12.0
199.06021	2.4
199.11148	3.9
199.14807	7.8
201.12750	4.8
201.16357	4.7
203.14330	4.3
207.11749	3.7
209.13196	7.2
211.11240	3.3
211.14864	4.6
213.12689	3.1
213.16411	6.3
215.14323	2.5
215.17935	4.1
217.15971	2.3
219.17570	2.3
221.13269	2.3
223.14874	3.3
229.19553	8.0
232.00075	2.0
237.16447	3.1
239.18007	15.3
241.19476	5.2
243.21007	3.0
247.20659	2.3
255.17409	3.3
257.18997	57.8
259.20590	8.0
261.22159	8.4
271.20416	2.6
273.18494	3.2
275.20068	22.5
281.15942	1.9
285.22113	2.1
287.20166	2.2
299.20004	4.1
313.21518	3.8
331.22687	19.8
333.24353	5.8
335.25809	77.1
335.29892	4.0
341.21054	2.4
349.23737	11.9
365.21210	4.5
383.22153	3.9
391.24680	2.2
401.23175	4.4
404.94034	2.2
419.24249	5.4
439.24420	3.2
457.25977	3.1
475.26694	3.9
493.27917	4.6
517.39899	3.4
591.43781	5.8
607.43738	3.4
609.45111	90.4
610.45337	6.3
651.46228	5.2
661.44739	2.7
696.01428	2.2
699.45642	4.0
717.46649	3.5
735.47998	7.0
753.49579	11.1
771.50470	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05506	0.3
57.03430	0.3
61.02919	0.2
63.02354	0.2
64.29807	0.1
65.03934	1.8
67.05488	0.6
68.99776	0.2
69.03418	2.1
70.06583	1.4
70.15975	0.7
71.04976	0.6
72.08143	0.6
73.02902	0.4
76.21657	0.1
77.03932	0.2
78.04684	0.3
79.05473	0.4
81.03413	1.9
81.07049	0.2
83.01321	0.2
83.04970	0.3
85.02412	0.3
85.02898	4.2
85.03417	0.2
86.09701	0.2
86.51382	0.1
89.03905	3.3
91.05471	5.3
93.03395	1.7
93.07053	0.2
95.04947	0.7
97.02880	24.3
98.06039	0.1
98.21386	0.2
99.04436	2.8
103.03283	0.3
103.03938	3.9
103.05446	0.5
105.03380	0.3
105.06995	0.2
106.04177	0.3
107.04955	0.2
107.08562	0.2
109.02863	2.7
111.04415	0.5
115.03922	0.2
115.05435	0.5
117.03368	6.8
117.06999	0.2
118.06858	1.4
119.04929	8.3
119.08519	0.2
121.02849	2.3
121.06456	0.2
123.04423	0.6
123.60786	0.1
125.02341	0.4
127.03901	100.0
128.04210	0.7
128.06186	0.2
129.06984	0.4
131.04904	0.4
131.08554	0.6
132.02051	0.3
133.06506	0.2
134.03609	0.4
135.04382	0.8
137.05928	0.5
139.03830	0.4
140.04616	0.7
141.06934	0.7
143.04897	0.2
144.05710	0.8
145.02832	18.1
145.04849	3.2
146.03185	0.4
147.04393	9.1
148.04688	0.3
149.02324	2.8
149.05960	2.7
151.03925	0.3
153.01765	0.2
154.06238	0.6
155.04900	0.2
155.07021	0.7
157.03987	0.5
157.06511	0.2
158.05998	0.2
159.04405	0.2
159.08018	1.0
160.05141	0.2
161.05974	0.6
162.03229	0.1
163.03902	0.4
163.05994	1.2
163.08926	0.2
164.04601	0.3
167.03383	11.8
167.07054	1.1
168.03729	0.3
169.05096	0.2
169.06419	0.9
173.05994	0.3
175.03886	13.7
177.05447	23.3
178.05872	0.3
179.06993	0.8
181.04939	1.1
181.06346	0.2
183.04457	0.2
184.05011	0.2
186.05478	0.7
187.05971	0.7
187.07524	1.7
189.05519	0.3
191.03362	0.3
191.07126	0.2
193.08545	0.3
196.05191	0.2
197.05937	0.7
201.05449	0.6
204.07648	0.2
205.04921	0.3
205.08635	0.2
207.06505	27.7
208.06908	0.3
213.05489	0.2
213.12276	0.3
214.06285	0.3
215.06895	0.9
218.09344	0.5
218.11687	0.2
219.03078	0.2
219.06511	1.5
219.10069	1.2
225.05574	0.2
229.08569	1.5
243.06445	0.4
244.07231	0.2
245.07944	0.2
247.09575	1.1
253.06970	0.2
257.08032	1.2
271.05643	0.2
271.08188	1.0
273.07477	0.2
274.12146	0.5
275.09116	5.5
279.06393	0.2
281.07840	0.2
283.06006	0.5
284.06784	0.2
285.07538	0.3
289.09262	0.7
291.08606	0.4
294.05212	0.7
295.06006	2.0
297.07550	0.2
303.08652	1.4
307.05945	2.0
307.09949	0.4
308.06662	0.9
309.07468	1.4
313.06970	1.4
319.05948	0.4
321.09848	6.4
322.08286	0.2
323.05347	0.2
325.06998	2.3
326.07562	0.2
337.07047	3.0
339.10815	2.4
347.09131	0.2
349.06979	0.7
351.08389	0.4
355.08130	0.7
361.07019	0.4
363.08722	0.4
367.08133	0.3
373.19016	0.5
375.08514	0.3
379.08142	1.1
387.08487	0.2
391.08261	0.7
393.09753	0.2
403.08121	0.6
409.09015	0.7
415.10321	0.9
421.09189	1.3
427.10010	0.3
429.11194	0.2
433.13422	3.5
439.10281	0.7
441.09793	0.2
455.11060	0.3
457.11279	3.3
475.12231	0.9
481.11096	0.6
485.12143	0.6
493.10675	0.2
495.10526	0.6
499.12036	0.3
509.12552	0.2
511.11899	0.3
513.11243	1.3
523.12231	0.6
531.06293	0.2
531.12885	1.8
537.12048	0.2
541.13062	0.6
559.13940	0.4
559.27356	0.3
571.15283	0.2
577.15228	0.5
579.12476	0.4
597.13953	0.2
615.14697	1.2
633.16010	1.5
651.16974	3.5
735.18842	0.3
753.19464	0.3
771.19275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.3
55.05506	30.2
57.03424	16.4
57.07072	2.7
61.02909	9.4
61.06765	2.6
65.03920	6.3
67.05499	86.6
69.03424	12.7
69.07065	28.2
69.58756	12.9
69.59179	6.8
70.72203	2.5
71.04971	7.2
73.02908	4.8
74.99640	2.2
79.05487	79.2
81.03410	22.2
81.07051	78.2
83.04951	10.8
83.05386	2.3
83.08620	14.5
85.02901	16.4
85.06531	4.7
87.36828	3.0
91.03968	2.5
91.05475	73.8
93.07040	82.9
95.04958	15.1
95.08598	67.4
96.72897	2.4
97.02882	10.5
97.06532	5.0
97.10153	3.9
97.44096	2.6
99.04446	3.1
99.08070	3.2
100.70923	2.9
103.05474	4.6
105.07023	57.8
107.08589	40.6
109.02869	6.7
109.06511	8.1
109.10155	26.5
111.04442	3.2
115.05449	5.5
116.06235	3.5
117.06213	3.3
117.07013	43.1
119.07784	3.9
119.08581	51.1
121.10129	25.0
123.08021	2.7
123.11707	6.6
125.09658	3.6
127.03902	7.1
128.06242	5.3
129.05453	4.8
129.06985	21.8
130.07803	4.7
130.19632	2.2
131.08560	51.4
133.10135	28.0
135.08032	5.1
135.11655	19.0
135.77350	2.6
137.09627	3.4
141.06955	8.5
142.07762	5.7
143.08534	18.7
144.09299	3.2
145.06471	3.7
145.10114	53.3
147.08076	3.1
147.11668	23.9
149.09627	8.7
149.13240	9.2
155.08549	14.0
157.10098	20.5
159.11681	47.1
161.09641	3.7
161.13258	13.2
163.11217	3.2
163.14905	2.9
167.08525	4.8
169.10045	13.5
170.10689	2.3
171.10387	2.4
171.11671	13.8
173.04482	4.1
173.11864	4.3
173.13234	25.7
175.11174	5.6
175.14815	7.4
181.10088	5.5
183.11713	17.6
185.09583	4.3
185.13214	10.1
187.11256	4.4
187.14830	6.1
193.10080	2.7
193.61302	2.5
195.11601	6.3
197.13303	8.9
199.14793	4.4
209.13254	3.5
211.14839	4.7
213.16386	2.9
219.17505	3.1
221.13373	2.4
229.19501	9.6
239.14136	2.8
239.18024	14.4
249.76143	2.2
255.17381	4.9
257.18954	43.2
257.21515	3.5
259.20569	6.9
261.22086	7.9
264.74744	2.3
275.20084	21.1
283.20288	2.5
299.20071	4.5
313.21698	3.0
331.22617	19.6
333.24222	7.6
335.25763	65.9
349.23764	10.1
362.00732	2.7
365.20956	4.3
373.23853	3.1
383.22003	4.3
390.17819	2.6
391.24753	2.6
401.23190	3.7
419.23984	3.4
509.51447	2.5
535.41779	2.9
591.44324	4.7
607.42676	4.0
609.45129	100.0
610.45026	6.4
651.46472	5.6
699.45825	3.7
735.47461	6.1
753.49377	3.7
771.50983	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	771.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03431	0.4
63.02369	0.4
65.03920	2.6
65.19135	0.3
66.80759	0.4
67.05509	0.4
68.99804	0.4
69.03427	1.2
69.32242	0.3
70.06580	2.3
70.26595	0.9
70.27011	0.8
72.08158	0.5
77.03907	1.1
79.05477	0.4
81.03399	0.5
85.02897	1.0
89.03912	1.6
90.18323	0.3
91.05470	38.4
92.05849	0.4
93.72945	0.3
95.04967	0.8
97.02858	0.8
102.46001	0.4
103.05447	2.1
104.02642	0.3
105.03369	1.0
105.07037	0.6
107.04969	0.8
109.02859	0.6
115.05430	2.0
117.03362	0.6
117.06997	4.2
118.04153	0.5
118.06867	2.5
119.04928	55.7
120.05285	1.0
121.02851	7.0
121.43596	0.4
122.03669	0.4
127.03880	2.2
129.03355	1.0
131.04935	0.9
132.02028	2.2
133.02841	0.8
133.06480	0.8
135.04411	0.9
136.05244	0.8
137.05942	0.5
143.04915	0.6
145.02827	3.4
145.06473	6.9
146.03642	0.4
147.04393	48.0
148.04778	0.9
149.02332	1.6
149.05977	0.8
150.03201	0.5
155.06046	0.9
157.03932	4.2
157.24234	0.3
159.04401	0.8
161.02393	0.4
161.05965	2.2
162.03107	0.7
163.03915	1.1
163.09007	0.5
164.04680	1.5
167.07010	1.6
171.04422	0.5
171.61435	0.3
173.05965	3.3
174.03151	0.4
175.03885	81.5
176.04227	1.9
177.01733	0.4
177.05504	1.9
179.07002	3.9
187.03889	0.5
189.01846	1.0
189.05412	2.4
190.06097	0.4
191.03398	1.3
191.06966	0.6
192.04164	0.7
193.08568	1.0
195.02911	1.1
195.60803	0.3
203.03343	1.1
205.04942	0.8
207.06499	100.0
208.06863	2.5
209.04417	0.5
213.12265	0.6
214.06268	0.4
215.03278	0.4
217.04958	6.8
217.08408	0.5
219.02922	0.8
219.06523	1.1
221.04459	0.6
227.06905	0.5
229.04858	0.5
231.02811	0.9
231.06480	2.4
233.04291	0.4
235.05974	1.2
237.07657	0.4
239.07022	0.7
245.08017	0.5
249.07564	11.2
255.06445	0.5
256.07321	0.5
261.07458	0.7
267.06506	1.0
268.07321	0.7
269.07986	0.4
271.05887	0.7
273.07529	0.6
274.11969	0.8
279.06470	1.6
280.07187	0.5
281.08014	1.1
283.05997	5.3
284.06799	2.6
293.08008	0.6
294.05096	2.1
295.05978	10.4
296.06723	0.8
297.07504	2.7
307.05969	9.1
308.06763	3.3
309.07507	5.0
313.07013	14.2
313.10648	0.8
315.08633	0.8
319.05966	1.8
320.06622	1.0
321.07306	4.6
322.08276	0.7
323.05560	0.6
323.09125	0.7
325.07028	8.5
331.05765	0.4
333.07263	2.2
335.05463	0.8
335.09076	1.2
336.06357	0.8
337.06989	16.9
338.07520	0.7
339.08453	1.2
343.08295	1.2
345.07397	0.6
347.09048	0.8
349.07065	5.6
351.08060	2.0
355.07968	1.9
361.07111	2.9
363.08542	1.5
365.10358	0.5
367.08069	10.3
369.11841	5.3
373.06985	1.1
373.19031	0.6
375.08496	1.3
379.08096	8.4
380.08337	0.5
385.09152	14.8
387.08585	0.6
391.03101	0.5
391.08035	5.5
397.09143	3.1
399.10883	1.8
403.10266	26.5
404.10379	0.8
405.09586	1.0
409.09137	4.0
415.09860	1.5
417.10025	0.5
421.09283	1.9
427.10211	14.3
428.10300	1.1
433.08875	1.9
439.10184	1.8
445.11285	4.8
451.10110	2.3
457.11124	3.0
463.10461	0.8
469.11288	4.1
475.11176	1.5
481.11343	2.3
493.11194	3.3
499.12100	1.4
507.10294	0.4
511.12109	3.6
513.11584	1.4
529.13361	3.4
543.12885	2.2
547.14429	5.8
559.26367	0.8
561.13855	2.5
565.15454	1.8
567.13013	0.8
585.14105	0.7
597.13782	1.4
605.15851	0.6
615.14966	3.4
619.14789	0.4
627.14380	0.5
633.15869	3.6
645.15381	0.6
651.17084	4.9
663.16724	2.4
681.17810	6.1
717.17725	0.5
735.18500	1.5
753.20416	2.1
753.89386	0.4
771.20660	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	769.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19180	0.4
68.18636	0.4
69.03426	0.5
70.06590	1.7
71.04985	0.7
72.08146	4.4
84.08168	0.5
85.02914	0.9
86.09705	0.7
89.10862	0.4
91.05503	0.4
97.02837	0.9
107.04936	0.6
110.02431	0.6
112.64144	0.4
119.04949	0.5
123.04536	0.4
127.03886	2.1
137.05975	0.5
147.04382	3.2
152.07068	0.8
157.04770	0.9
167.07097	1.3
175.03711	0.6
177.05495	0.5
178.05199	0.4
185.04242	2.5
189.05209	45.0
190.05945	3.1
207.06364	0.8
218.11754	0.4
250.03804	0.4
264.10114	0.5
276.19128	0.4
280.09689	0.7
283.37625	0.4
303.69989	0.4
320.09207	0.5
321.09784	0.5
334.14319	0.6
352.11209	3.3
362.14206	0.6
379.16885	0.9
409.14740	1.1
423.16104	1.3
425.14633	0.4
429.15204	2.9
430.16125	0.9
443.16962	0.6
444.17587	6.2
445.18335	32.0
446.18719	1.3
576.22150	0.5
591.20331	1.6
606.22839	1.2
607.23523	17.1
608.23633	0.8
751.27179	0.4
769.28796	100.0
770.29114	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	771.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03428	0.3
65.03924	2.7
68.99796	0.3
69.03419	1.2
70.06578	1.9
72.08173	0.3
75.02338	0.3
77.03929	0.9
79.05482	0.5
81.03423	0.7
81.07045	0.4
85.02905	0.9
89.03919	1.6
90.04726	0.4
91.05470	36.9
92.05816	0.4
93.03400	0.5
95.04951	0.8
97.02881	0.5
103.05467	1.6
104.02616	0.3
105.03387	0.9
105.07005	1.0
107.04942	0.7
111.04400	0.3
115.05431	2.5
117.03349	0.6
117.07005	4.4
118.04124	0.8
118.06882	2.4
119.04930	52.6
120.05274	0.8
121.02851	6.5
127.03918	2.1
129.03354	1.3
131.04898	1.3
132.02072	2.0
133.02838	0.7
133.06465	1.1
135.04366	1.2
136.05194	0.9
138.07477	0.3
142.66162	0.2
143.04939	0.4
145.02826	2.2
145.06458	6.2
146.03549	0.5
147.04391	45.4
148.04770	0.4
149.02330	1.8
150.03104	0.4
153.01768	0.3
155.06032	1.2
157.03949	3.4
157.06502	0.3
159.04370	0.9
160.01430	0.3
161.05991	1.5
162.03131	0.7
163.03894	0.8
163.08948	0.4
164.04655	1.6
167.07033	1.2
171.04401	0.9
173.05954	3.0
174.03163	0.5
175.03885	76.3
176.04330	1.1
177.01683	0.4
177.05464	0.9
179.03352	0.4
179.07022	3.9
181.04948	0.4
187.07574	0.3
188.04446	0.3
189.01849	0.9
189.05441	3.2
190.06204	0.4
191.03404	1.5
191.06926	0.4
192.04146	0.5
193.08592	0.5
195.02875	0.7
201.01839	0.4
203.03355	0.8
205.04929	0.9
205.08566	0.7
207.06502	100.0
208.06853	1.3
209.04385	0.6
213.05420	0.6
213.12331	0.6
215.03410	0.5
217.04930	6.1
217.08316	0.3
219.02863	0.9
219.06566	1.3
220.03757	0.4
221.04401	0.7
221.08084	0.3
229.04846	0.4
231.02895	0.6
231.06458	2.8
233.04486	0.4
235.05946	0.9
237.07602	0.5
241.08669	0.3
245.08023	0.5
247.05974	0.3
249.07565	10.3
255.06509	1.3
256.07153	0.3
257.08105	0.4
267.06421	0.8
268.07281	1.0
269.08075	0.3
270.05347	0.3
271.06119	0.9
274.12134	0.5
279.06537	0.6
280.07346	0.6
281.08014	0.9
283.05927	3.8
284.06772	2.5
285.07565	0.8
287.70865	0.3
293.08035	0.4
294.05188	2.3
295.05963	8.7
295.09314	0.6
296.06549	0.5
297.07562	2.7
305.07977	0.5
307.05994	8.1
307.09482	0.4
308.06677	3.0
309.07532	4.6
311.09097	0.5
313.07019	14.6
314.07306	0.4
315.08575	0.5
317.07922	0.6
319.05975	1.4
320.06769	0.5
321.07492	4.2
322.08231	0.9
323.05511	0.4
323.08722	0.6
325.07056	7.9
329.07913	0.4
333.07150	1.4
335.05399	0.5
335.09067	1.3
337.07019	14.7
338.07288	0.6
339.08533	1.2
343.08096	1.4
345.07501	0.9
347.09183	0.8
349.03006	0.4
349.07043	4.4
351.08011	1.5
355.08160	2.2
357.07669	0.4
361.07022	2.7
363.08487	1.3
365.10251	0.6
367.08044	9.2
369.11816	5.0
373.07056	1.2
373.18988	0.9
375.08566	1.1
377.06317	0.4
379.08112	7.6
385.09152	13.5
387.08606	0.6
389.10461	0.4
391.08032	5.8
393.09729	0.4
397.09164	2.0
399.10837	1.9
403.10248	23.3
404.10474	0.7
405.09543	0.7
409.09161	4.3
415.08969	0.5
421.09070	3.1
427.10214	14.9
433.08948	2.0
439.10120	1.7
440.09283	0.3
445.11243	4.6
451.10049	2.5
457.11237	3.9
463.09970	0.6
464.09296	0.3
465.11725	0.3
469.11273	3.2
475.12067	1.6
481.11267	1.8
493.11249	3.0
499.12231	1.4
511.12213	2.7
513.11389	0.9
515.12421	0.3
525.11200	0.7
529.13367	3.8
543.12854	3.7
547.14386	4.9
559.26672	0.8
561.13715	3.2
565.15564	1.2
567.12067	0.5
585.14258	0.4
597.13812	0.7
601.16553	0.3
615.14990	3.9
619.14490	0.3
627.15625	0.3
633.16052	2.5
645.15387	0.5
651.16852	2.9
663.16974	2.2
681.07007	0.5
681.18018	7.4
699.16266	0.4
735.18274	1.2
753.20203	1.4
771.19318	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	767.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93059	0.2
62.07863	0.2
69.03421	0.3
70.06568	0.5
71.62381	0.2
72.08147	1.6
84.08133	0.3
85.02896	0.8
86.09703	0.2
89.10775	0.2
91.05451	0.2
97.02872	0.6
98.06005	0.2
98.97570	0.2
105.07013	0.3
110.02384	0.3
114.09140	0.2
119.04919	0.4
126.49979	0.2
127.03912	0.7
131.12924	0.4
133.06496	0.2
145.05026	0.2
147.04393	1.2
152.07057	0.2
153.05389	0.3
161.05946	0.6
185.04214	1.9
193.08626	0.5
194.09041	0.2
217.04712	0.6
218.11676	0.4
227.99599	0.2
228.11267	0.2
232.07034	8.7
233.07793	3.3
251.09096	0.2
267.26962	0.2
303.70358	0.2
304.09351	0.2
309.07388	0.2
339.08688	0.5
341.10153	0.6
364.11191	0.9
365.12085	0.2
367.07785	0.2
369.13730	0.2
395.13083	100.0
396.13367	2.0
410.49982	0.2
569.20801	0.2
579.19385	0.2
587.21619	0.3
767.30725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05495	0.4
57.03423	0.7
65.03948	0.2
67.05504	0.2
69.03424	3.2
69.39359	0.5
69.39765	1.7
70.06566	0.4
70.84388	0.2
71.01340	0.2
71.04986	0.9
72.08148	1.0
73.02901	1.1
77.61080	0.2
79.05481	0.4
81.03416	4.2
81.07053	0.2
83.01328	0.4
83.04985	0.7
84.08132	0.7
85.02413	0.4
85.02900	6.1
86.06071	0.5
87.04472	0.4
91.05476	0.9
93.07050	0.7
95.04961	0.8
97.02883	46.2
98.03217	0.4
98.21600	0.3
99.04448	6.6
103.03936	2.6
105.07013	0.8
107.04969	0.3
109.02875	6.6
111.04441	0.9
115.03921	6.5
119.04934	0.4
120.08123	0.3
121.02876	0.4
121.06496	0.8
123.04424	0.6
123.08051	0.3
125.02355	0.4
127.03906	100.0
128.04263	0.5
131.04874	0.3
133.06476	0.5
135.04436	0.6
137.05960	0.3
138.05429	0.2
138.56683	0.2
139.03891	1.4
145.02930	0.3
145.04953	2.9
147.04417	0.9
149.05974	1.3
150.07755	0.6
151.03906	0.7
151.07533	1.0
157.04958	2.4
159.04337	0.5
161.05927	1.5
163.03906	0.4
163.06017	0.5
165.05473	0.4
167.07098	0.5
169.04982	0.8
173.04477	0.3
175.06027	0.6
177.05460	2.4
179.07050	1.0
181.04958	1.9
187.06012	1.2
188.09242	0.3
191.03439	0.5
193.04944	4.4
197.08055	1.7
199.06021	1.5
205.04996	4.2
205.07019	0.7
207.06531	0.4
223.05995	9.2
223.08156	0.5
229.07062	0.6
241.07048	12.5
242.07591	0.2
253.07126	1.0
257.06589	0.3
259.08121	5.6
271.08124	1.7
283.08102	0.3
289.09235	0.7
311.08902	0.3
313.06982	0.3
349.09277	0.9
367.10214	2.0
385.11230	2.4
387.15073	0.2
403.12311	2.8
421.13361	4.9
482.55554	0.3
529.15479	1.0
547.16760	0.7
565.17395	0.2
613.60168	0.3
657.19202	0.4
721.04059	0.3
749.93073	0.3
769.29718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84193	0.3
59.50891	0.3
69.03432	0.7
69.57106	0.3
70.06587	0.7
70.80386	0.3
70.80743	1.0
71.04998	0.6
72.08152	1.4
81.03407	0.4
84.08154	0.6
91.45152	0.3
97.02876	0.9
109.02876	0.7
110.02416	0.5
119.04997	0.6
127.03879	1.3
131.41339	0.3
147.04373	1.3
152.07117	0.4
167.07097	0.9
169.09679	0.3
173.34410	0.3
177.05408	0.4
185.04199	3.3
185.05545	0.3
203.03229	0.3
207.06538	0.3
267.73785	0.4
287.09140	0.6
296.04590	0.3
309.09525	0.8
393.65216	0.3
394.13754	0.4
425.12286	0.7
439.13507	0.5
440.14404	2.2
441.15277	1.2
448.69241	0.3
449.14020	0.6
573.18903	0.4
583.17804	0.6
587.17566	0.7
601.18793	1.6
602.19299	0.5
603.20349	7.1
604.20911	0.4
765.25647	100.0
766.25946	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	767.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
55.05497	0.7
57.03427	0.7
58.03526	0.2
63.02363	0.4
67.05502	1.4
67.07231	0.3
69.03427	3.0
69.07048	1.0
70.06572	0.7
71.04981	0.7
71.61420	0.2
71.61834	0.4
72.08132	0.4
73.02914	0.4
79.05495	1.2
81.03409	6.2
81.07053	2.2
83.04975	0.6
84.08129	0.4
85.02893	4.9
85.06518	0.4
89.03912	6.2
91.05460	1.5
93.07030	2.0
95.04971	1.2
95.08616	1.8
97.02882	3.0
97.06483	0.3
97.10213	0.3
98.09682	0.4
99.04446	2.4
103.03950	1.6
103.05430	0.5
105.03384	0.5
105.07012	1.8
107.04996	0.6
107.08596	1.4
109.02866	3.5
109.06490	0.5
109.10133	1.5
111.04411	0.6
111.08045	0.3
117.03371	19.3
117.06995	0.3
119.04933	0.9
119.08572	1.0
121.02808	0.3
121.06483	0.9
121.10136	3.8
123.04423	0.9
123.08054	1.0
123.11659	0.3
124.05249	0.3
125.06019	0.5
125.09618	0.4
127.03906	6.3
129.06956	0.3
131.08560	0.4
133.02815	0.6
133.06502	0.5
133.10103	0.7
134.03632	0.9
135.04431	2.0
135.08018	0.6
135.11685	0.5
137.02296	0.5
137.05962	1.1
137.09641	0.4
139.07494	0.3
139.11172	0.3
143.08617	0.3
145.02834	50.1
145.04883	1.5
145.10120	0.8
146.03171	0.6
147.04413	1.5
147.08075	0.6
147.11690	0.5
149.05972	7.7
149.13292	0.5
151.03893	1.1
151.07538	8.2
153.01817	0.6
153.05460	0.3
157.06540	0.3
157.10210	0.6
158.06029	0.5
159.04405	0.3
159.08014	0.4
161.05951	0.5
161.13235	0.3
163.03929	1.2
163.06090	0.6
163.07535	0.8
163.11086	0.5
165.05478	1.0
165.09070	0.4
166.04897	0.3
167.07019	4.0
169.10046	0.4
171.08006	0.3
173.06013	0.5
173.13249	0.4
175.03949	0.6
175.07532	3.3
175.14774	0.5
177.05453	100.0
178.05795	1.1
185.09567	0.3
186.05457	3.2
187.05940	0.3
187.07504	0.6
188.08102	0.3
189.09070	0.7
191.10622	1.9
193.08522	0.5
195.06538	1.1
199.07460	0.4
199.11206	0.3
201.09079	0.7
201.12794	0.3
203.07016	0.4
203.10608	0.5
205.08627	0.4
205.12215	0.6
207.06502	0.9
207.10028	0.4
213.09036	0.4
215.10776	0.3
217.08543	1.9
227.06992	0.9
229.04950	0.7
229.08571	0.4
231.06606	0.3
241.08615	0.3
243.10236	0.4
244.07143	0.3
245.08035	0.4
247.05910	0.4
255.06514	0.6
261.07590	0.3
271.16946	0.3
275.23584	0.3
279.10028	0.3
283.05807	0.4
285.07486	0.4
293.08047	0.3
295.06015	0.5
307.06256	0.3
307.09708	1.0
308.06714	0.3
311.05756	0.3
317.08249	0.4
318.08887	0.3
321.09784	4.9
323.05734	0.4
324.06219	2.6
325.07040	0.8
327.08575	0.7
331.09543	0.3
332.10666	0.3
335.09033	2.8
336.06274	0.6
336.10031	0.3
337.07040	0.5
337.10742	0.3
339.08597	4.7
339.11151	2.0
340.09082	0.4
349.06815	0.6
349.10782	0.6
350.07712	0.5
351.08551	1.7
357.09766	1.3
360.09790	1.0
361.10751	0.5
363.08554	3.8
363.12454	0.3
364.09451	0.7
365.10028	0.6
365.13931	0.4
367.11627	0.3
375.12360	2.1
377.09976	0.8
378.10953	5.0
379.11676	1.0
381.13382	0.4
387.08887	0.3
393.13284	37.5
394.13754	1.4
407.29355	1.0
411.14355	28.2
412.14624	1.2
420.99707	0.3
425.30569	0.9
429.15411	25.2
430.15546	0.6
443.31470	2.0
461.32462	0.8
555.18781	1.3
573.19354	0.9
605.19934	0.4
691.77295	0.3
767.24506	0.6
767.38110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
55.05499	0.3
57.03428	0.3
65.03932	1.2
67.05496	0.8
67.33426	0.2
69.03424	1.2
69.07094	0.2
70.18827	0.8
71.01389	0.1
71.04994	0.2
73.02885	0.2
77.03930	0.7
79.05483	0.2
81.03404	3.9
81.07058	0.4
81.17844	0.1
83.05003	0.2
85.02898	1.9
89.03905	0.6
90.04739	0.2
91.05472	18.2
93.07021	0.3
95.04965	0.5
95.08579	0.4
97.02896	0.5
99.04441	0.6
99.87248	0.2
103.03976	0.1
103.05446	0.5
105.03372	0.5
105.07004	0.2
107.04950	0.5
107.08597	0.3
108.05719	0.2
109.02851	1.6
109.10140	0.3
117.03399	0.2
118.04179	0.4
119.04929	28.3
119.08578	0.4
120.05251	0.3
121.02878	0.3
121.06501	0.1
121.10105	0.3
123.04438	0.5
123.11687	0.2
127.03906	0.6
129.03386	0.4
131.04898	0.5
132.02049	0.9
133.02821	0.6
133.10103	0.2
135.04393	0.7
135.11682	0.2
136.05196	0.4
137.02327	0.5
139.03835	0.1
141.01820	0.2
145.02846	0.6
145.04953	0.2
145.10106	0.2
146.03592	0.3
147.04395	26.1
148.04761	0.2
149.02301	0.8
149.09604	0.2
150.03119	0.2
151.07504	0.2
157.03947	1.9
159.11737	0.2
161.02359	0.3
161.13318	0.2
162.03091	0.3
163.03926	0.3
164.04665	1.0
165.09102	0.2
167.07085	0.3
169.06360	0.1
175.03885	47.9
176.04327	0.5
177.05492	0.2
178.02670	0.2
179.07002	2.0
181.04906	0.2
189.16434	0.2
191.03412	0.3
192.04176	0.7
193.04890	0.1
195.07950	0.2
199.07481	0.2
207.06503	100.0
208.06847	1.2
209.04472	0.2
209.32370	0.2
210.05122	0.2
225.07394	0.3
227.06958	0.3
244.08861	0.2
245.08023	0.3
259.11093	0.2
281.08298	0.2
287.10672	0.2
297.07584	0.3
299.05539	0.4
309.07321	1.1
313.06985	0.3
321.07690	0.2
325.07022	7.9
326.07474	0.2
337.07080	1.8
337.10806	0.4
339.08658	0.4
343.09149	0.2
345.07675	0.2
349.07043	0.9
350.07690	0.8
351.10913	6.0
355.08069	0.2
361.10651	4.3
363.08630	0.4
364.09372	1.0
369.11801	5.8
379.11734	19.8
380.12238	0.3
397.12784	51.2
398.13242	0.8
441.33615	0.2
541.16675	0.2
559.17987	1.9
669.00598	0.2
747.22815	0.3
765.23743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.01862	6.4
55.05508	14.0
57.03434	2.5
57.07073	2.9
61.29302	1.8
62.29995	1.7
65.03927	1.6
67.05489	22.4
69.03410	5.4
69.06760	1.8
69.07063	18.0
71.01343	26.1
71.04986	3.5
71.61710	2.9
73.02912	3.7
75.04461	4.4
79.05486	13.6
81.03396	5.3
81.06568	2.9
81.07044	44.8
83.04989	2.7
83.08609	10.6
85.02898	36.9
91.05459	16.3
93.07035	31.3
95.01320	23.8
95.04951	4.6
95.08597	74.4
96.08876	1.8
96.88657	1.7
97.02857	4.7
97.06493	2.5
97.10152	7.0
99.00815	1.7
99.04422	4.0
101.01715	2.0
101.02378	34.3
103.03970	4.3
105.07015	34.6
107.08581	50.4
109.02843	3.6
109.06495	3.0
109.10140	54.0
111.08092	8.7
111.11708	3.4
113.02322	3.8
117.07016	5.1
119.04904	4.2
119.08565	47.8
121.10137	41.7
123.04365	4.4
123.11691	20.4
126.36244	1.6
127.03902	70.0
131.03409	1.8
131.08557	16.2
133.06479	1.8
133.10110	35.8
134.44640	1.6
135.11673	28.6
137.02383	1.7
137.13231	6.0
138.09767	1.6
139.11142	3.1
141.01808	51.4
143.08537	5.8
145.04941	52.8
145.10124	23.1
147.04410	3.7
147.11670	29.5
149.05948	2.9
149.13248	25.0
151.11095	2.4
153.05484	2.2
157.10152	8.5
159.02858	6.5
159.11676	24.6
161.13245	27.3
163.03844	1.8
163.11127	2.2
163.14828	16.1
165.12689	2.2
165.93095	1.7
169.10130	2.5
171.11685	6.9
173.13268	16.8
174.13640	2.0
175.03906	5.5
175.14815	23.2
176.15216	2.1
177.03845	2.9
177.16373	22.6
179.06941	1.8
184.07356	2.9
185.13226	4.8
187.14778	18.1
189.16380	31.0
191.14224	2.9
191.17929	13.8
193.15872	2.9
197.13286	2.3
199.14841	8.4
201.16380	29.3
203.17952	29.4
205.15887	9.3
205.19493	9.6
207.06519	12.9
207.17387	6.5
211.14827	2.6
213.16414	6.7
215.17847	14.7
217.16002	2.9
217.19496	25.7
219.17435	6.7
219.20857	2.0
225.16388	2.0
227.17918	8.3
229.19514	12.8
231.21010	5.4
241.19542	3.7
243.21095	7.9
245.19037	2.5
253.19611	2.8
255.21068	7.4
257.22665	7.2
261.22147	2.3
269.22617	7.1
271.24075	2.3
283.24185	2.8
285.22266	2.1
295.24167	2.7
297.07040	1.8
297.25827	3.3
313.06885	4.0
325.07053	2.7
329.06711	2.1
337.07120	4.3
346.07098	1.8
365.31909	13.0
367.12283	2.0
369.13043	2.3
381.09576	3.7
393.13229	5.3
393.35056	2.3
405.35147	32.8
407.36877	2.3
423.36163	100.0
424.36301	6.9
433.33572	2.7
437.15903	4.8
437.36096	4.3
441.37115	3.1
495.33453	2.7
567.40088	2.3
581.38538	11.8
599.39349	6.0
657.35132	8.9
741.64532	2.4
761.27289	2.0
786.35291	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	764.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03411	0.1
61.02900	0.3
65.03925	0.1
66.04707	0.1
67.05496	0.2
69.03407	0.5
69.65073	0.7
70.06588	0.3
71.04983	0.1
72.08134	0.4
78.04696	1.4
79.05045	0.2
79.05481	2.2
81.03401	0.3
81.07047	0.3
85.02890	2.1
91.05463	1.5
93.03362	0.1
93.07014	0.3
94.04179	0.2
95.04963	0.9
96.05737	0.1
97.02877	1.0
98.21454	0.2
98.32442	0.1
99.04435	0.2
99.45158	0.1
103.05463	3.0
105.03426	0.1
105.04533	0.1
105.07023	3.4
106.04145	0.6
107.04949	5.5
108.05770	0.1
109.02866	0.3
109.06503	0.4
111.04399	0.2
115.05447	1.2
117.07002	0.9
118.04096	0.1
119.04906	0.5
119.08538	0.1
121.02888	0.2
121.06482	1.4
122.03648	0.3
123.04420	2.9
123.08035	0.5
124.05208	2.4
125.05998	0.8
127.03886	0.7
129.06964	0.5
131.04915	5.8
131.08551	0.9
132.05690	0.2
133.06476	4.8
134.03587	0.3
135.04449	0.1
135.08044	1.2
136.05211	0.2
137.05968	2.4
138.06689	0.2
139.07585	0.2
141.06970	0.5
143.04909	0.4
143.06023	0.2
143.08540	0.3
144.05673	0.5
145.04921	0.3
145.06477	2.5
145.10095	0.4
147.04401	2.5
147.08017	0.3
149.05994	0.7
150.06732	0.2
151.03886	0.8
151.07520	3.4
152.04668	1.4
153.05403	0.6
155.06987	0.1
157.06474	0.4
158.07236	0.8
159.08032	1.4
160.05179	0.3
161.05963	6.2
161.09619	0.2
162.07629	0.2
163.07530	13.0
164.07872	0.2
165.09140	0.4
166.06207	0.3
167.07022	100.0
168.07365	1.5
169.06400	0.3
171.08081	0.2
172.05161	0.4
173.05983	1.7
173.09598	1.4
174.06619	0.1
175.07515	1.9
177.05530	0.3
177.09103	2.1
178.06200	0.2
179.07021	3.4
180.08737	0.2
181.08568	4.4
181.10182	0.2
186.06679	0.3
187.05879	0.2
187.07529	3.1
189.09026	0.7
191.07005	0.4
191.10493	0.2
192.07790	0.8
193.08589	17.0
194.08974	0.3
195.08430	0.1
195.10182	0.5
201.09065	2.2
203.06903	0.2
203.08549	0.4
204.07866	0.1
205.08554	1.0
206.09357	0.2
207.10101	0.7
217.08510	0.9
218.09344	0.2
219.10149	2.6
220.08688	0.1
221.11691	0.4
231.07944	0.5
231.10046	0.2
233.11688	3.4
235.11195	0.3
237.11189	3.7
245.09621	0.2
248.08334	0.3
249.11264	0.2
251.12779	2.6
259.07568	0.4
263.10638	1.0
276.07773	0.2
291.10126	0.9
293.08298	0.1
295.13297	0.9
305.11777	0.2
308.10474	0.2
309.11218	0.1
312.10333	0.2
313.14444	0.1
323.12744	2.4
323.16223	0.2
324.13403	0.3
327.15790	0.2
337.14206	0.2
340.13211	0.2
355.15378	13.7
356.15634	0.3
369.16943	0.3
372.15613	0.2
373.16284	0.2
387.17996	18.4
388.18274	0.6
393.12961	0.4
405.19040	59.0
406.19412	2.3
423.20084	4.8
424.20154	0.1
531.22137	0.2
576.25897	0.1
764.29919	0.2
765.25348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01857	0.7
55.05497	1.0
57.03411	0.7
57.07062	0.5
59.04987	0.3
61.59259	0.3
65.03941	0.4
65.47573	0.3
67.05495	1.8
68.00056	0.3
68.99761	0.4
69.03415	3.9
69.07063	1.8
69.90466	1.2
69.90874	0.6
70.06570	0.4
71.04978	0.9
72.04512	0.5
73.02915	0.6
74.10597	0.3
77.03944	0.3
79.05486	0.8
81.03415	2.0
81.07047	3.1
83.04966	0.7
83.08617	0.4
85.02894	3.1
85.06531	0.7
90.05547	0.7
91.05452	3.3
93.07006	1.5
95.04962	1.3
95.08604	2.5
97.02873	2.2
97.06544	0.3
97.10145	0.4
98.21534	0.3
99.02674	0.6
99.04421	0.9
99.08064	0.4
103.03920	0.5
103.05483	0.4
104.08033	0.4
105.07010	1.4
107.04915	0.6
107.08589	1.3
109.02875	2.4
109.06516	0.9
109.10164	1.8
111.02628	0.6
111.04412	0.7
111.08072	0.5
113.06010	0.3
115.05431	9.5
119.04937	3.7
119.08579	0.8
121.02861	6.3
121.06445	0.5
121.10127	1.1
123.04399	1.0
123.08035	0.5
123.11674	1.0
124.07877	0.4
125.05960	0.7
127.03907	3.8
127.07514	0.5
128.07051	0.4
129.06995	0.3
133.02837	0.5
133.06628	0.4
133.10121	0.8
134.10388	0.3
135.04422	0.5
135.08032	0.5
135.11682	0.8
137.05919	1.0
137.13231	0.6
138.85199	0.3
141.06973	59.1
142.07320	1.0
145.02809	0.9
145.04881	0.6
145.10123	0.5
147.04387	2.9
147.11676	0.7
149.13196	0.7
151.07524	0.7
153.05435	2.1
153.06920	0.4
153.09052	0.4
157.10095	0.4
159.04353	0.4
159.11737	0.5
161.05966	0.6
161.09554	0.5
161.13182	0.4
163.03915	0.9
165.05408	0.4
165.09117	0.7
167.03455	0.5
167.07030	1.4
168.05685	0.9
169.06462	2.6
170.08173	0.4
171.04500	0.3
171.08049	0.5
173.13304	0.4
175.03889	4.4
175.11200	0.3
177.05402	0.6
179.03400	0.9
184.07324	1.2
187.05838	0.7
187.07523	14.2
188.07744	0.5
188.09203	0.8
189.01849	0.8
189.05606	0.4
191.03337	2.5
191.18008	0.6
195.02838	0.6
197.05934	100.0
198.06270	3.1
199.05963	1.3
201.01707	0.4
203.03381	0.7
203.10583	0.4
205.04794	0.4
207.02864	1.9
207.06590	10.6
209.04451	0.9
215.03545	0.5
215.06905	0.4
217.04872	0.5
219.02858	1.6
221.04408	0.8
225.05507	0.5
231.02824	0.8
233.04561	0.4
247.06203	0.3
251.06978	0.4
263.06628	0.4
267.06458	0.7
268.07294	1.2
269.08029	0.5
271.05801	0.9
279.06421	1.3
280.07358	0.7
281.08002	1.4
283.06131	0.6
293.08011	0.5
294.05127	2.3
295.05948	7.3
296.06555	0.7
297.07492	1.0
305.07880	0.4
307.05978	11.6
307.09521	0.7
308.06686	3.3
309.07501	8.6
313.07059	1.9
314.12216	0.4
319.06064	1.7
321.07507	3.9
322.04688	0.9
322.08240	0.7
323.05350	0.6
323.09052	0.8
325.07019	4.6
326.07385	0.5
333.07156	1.6
335.05426	1.0
335.09152	1.9
336.05869	0.6
337.07031	20.4
338.07288	1.0
339.08591	2.8
341.10449	0.6
345.07507	1.5
347.09235	1.0
349.06970	3.8
350.07477	0.6
351.08136	1.9
355.07986	0.4
359.11298	6.2
361.06924	3.6
361.10669	0.5
363.08578	2.4
365.10153	0.9
367.07990	2.7
373.06976	1.3
375.08636	0.9
377.10056	0.4
379.07877	4.4
385.09128	0.9
391.08063	8.5
392.08301	0.6
393.13312	3.8
394.13638	0.9
397.09094	1.2
398.13242	0.7
399.10672	3.4
403.08908	0.6
405.09476	0.6
409.09091	5.8
410.09509	0.6
411.14362	5.1
412.14615	2.4
419.14902	3.5
421.09131	1.2
427.10193	43.5
428.10605	2.4
433.09155	1.2
437.16083	0.4
439.10120	1.3
441.30136	0.5
451.10315	2.0
451.15955	0.4
457.11115	1.8
459.31006	1.5
469.11194	2.7
475.10214	0.5
477.31897	2.7
481.11118	1.2
487.12149	0.4
493.10910	1.5
495.33154	2.2
511.12054	1.8
513.34167	0.9
529.13495	2.1
547.14435	2.5
551.13251	2.5
581.19977	1.9
595.15125	0.4
599.21521	0.5
605.14276	0.5
623.15442	7.9
624.15637	0.6
641.16467	7.9
642.16687	0.5
653.16156	0.5
671.17523	4.9
725.18622	0.6
743.18616	2.2
761.20782	4.6
761.34045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.04506	0.2
55.01863	0.7
55.05501	0.7
57.03433	0.8
57.07064	0.3
57.65466	0.2
61.02908	0.7
63.02372	0.2
65.03934	0.6
67.05505	1.1
68.99787	0.4
69.03428	3.4
69.07063	1.1
70.06576	0.3
70.08223	1.3
71.04982	0.8
73.02912	0.6
77.03970	0.7
79.05483	1.1
81.03418	1.8
81.07053	2.3
83.04987	0.5
83.08601	0.5
83.97819	0.2
84.08132	0.3
85.02898	3.3
85.06531	0.9
87.04403	0.2
91.03963	0.3
91.05465	1.7
93.07040	1.6
95.04945	1.1
95.08603	1.6
97.02882	5.9
97.06503	0.2
97.10159	0.2
99.04442	1.9
103.03947	0.9
104.08996	0.2
105.03398	0.3
105.07014	1.1
106.34934	0.2
107.04945	0.5
107.08566	1.0
108.02068	0.4
109.02881	2.1
109.06492	0.3
109.10126	1.1
110.06036	1.2
111.04459	1.1
111.08041	0.4
115.05445	8.7
116.05833	0.2
117.07027	0.4
119.04969	1.5
119.08612	1.0
121.02862	5.9
121.10131	0.7
123.04414	0.7
123.08085	0.3
123.11696	0.7
125.05985	0.5
125.09583	0.3
127.03906	21.3
129.07098	0.3
131.04907	0.6
131.08560	0.7
133.06415	0.2
133.10127	0.8
135.04414	0.3
135.08076	0.4
135.11676	0.5
137.05989	0.9
137.09604	0.3
137.13214	0.4
141.06978	56.1
142.07359	0.8
143.08525	0.3
145.02834	0.5
145.04982	1.3
145.06438	0.5
145.08588	0.4
145.10130	0.3
147.04413	1.4
147.11728	0.2
149.06027	0.6
149.09654	0.3
149.13251	0.6
151.03902	0.6
151.07585	0.5
152.07028	0.4
153.05434	1.2
153.07066	0.3
157.06398	0.2
159.04425	0.5
159.07863	0.2
159.11748	0.4
161.06007	0.3
161.09714	0.3
163.03880	0.9
163.07523	0.4
163.11063	0.3
167.07018	1.6
168.05681	0.9
169.05072	0.4
169.06458	1.9
170.08109	0.8
171.06631	0.3
171.08246	0.5
173.13226	0.3
175.03925	0.9
175.07620	0.3
175.14764	0.3
177.01726	0.3
177.05402	0.6
179.03363	0.5
181.04872	0.5
181.06334	0.2
187.03952	0.5
187.07535	13.4
189.01807	0.8
189.05540	0.2
191.03378	1.8
193.04993	0.2
193.08601	0.4
194.02023	0.2
195.02863	0.5
197.05945	100.0
198.06281	2.4
199.03976	0.3
199.05988	0.4
201.01802	0.2
203.03397	0.6
203.07092	0.2
205.05006	0.6
205.12233	0.2
207.02885	1.7
207.06480	1.2
209.04456	0.8
211.07487	0.4
213.05478	0.6
215.03418	0.5
215.07196	0.3
217.04980	0.6
217.08568	0.2
219.02853	1.2
221.04428	0.5
227.03348	0.3
227.07051	0.3
229.04877	0.5
231.02850	0.4
233.04535	0.4
239.07030	0.5
245.04407	0.4
251.07043	0.4
253.08482	0.5
255.02942	0.3
255.06477	0.6
255.12143	0.3
263.06982	0.4
267.06512	0.9
268.07159	1.1
269.08005	0.3
271.05887	0.6
273.03732	0.3
279.06543	1.3
280.07187	0.6
281.08124	1.5
282.08694	0.3
283.06012	0.7
284.06714	0.3
289.08713	0.4
291.06302	0.2
292.07031	0.3
293.08066	1.0
294.05252	2.3
295.05997	6.9
295.09271	0.4
296.06601	0.5
297.07544	0.7
303.09872	0.2
307.06012	10.7
308.06662	3.5
309.07547	8.6
310.08011	0.3
311.05756	0.4
311.09058	1.2
313.07028	1.7
314.12289	0.7
317.07996	0.5
319.05975	2.0
320.06677	0.6
321.07565	4.1
322.08212	0.6
323.05463	0.5
323.09045	0.7
324.06274	1.0
325.07031	4.2
326.07367	0.2
329.07535	0.3
331.05872	0.3
333.07593	1.7
333.11044	0.3
335.05341	0.8
335.09067	1.7
336.06046	0.4
337.07031	18.9
338.07391	0.6
339.05359	0.2
339.08646	3.1
341.10086	0.5
345.07455	1.0
347.09067	0.9
349.07037	3.1
349.10880	0.3
350.07614	0.5
351.08517	2.2
352.08911	0.2
353.10074	0.3
355.07913	0.6
357.09967	0.3
359.11374	5.1
360.10477	0.3
361.06949	2.8
361.10696	0.2
362.07794	0.2
363.08548	2.1
364.09369	0.3
365.10248	1.4
367.08011	2.5
369.09549	0.7
369.13550	0.4
373.06909	1.5
375.08530	0.6
376.09442	0.2
377.10089	0.3
379.07858	3.5
379.11887	0.6
387.08502	0.4
391.08008	7.3
392.08322	0.3
393.13721	1.1
394.13675	0.4
397.09042	1.0
399.10666	2.6
401.13983	0.5
403.07501	1.1
405.09225	0.6
409.09006	5.7
411.14297	2.2
412.14563	0.7
419.09479	0.4
419.14905	6.7
421.09100	1.0
427.10092	38.3
428.10657	1.5
433.08658	1.1
437.15955	1.6
439.10275	1.2
441.29764	0.3
445.08957	0.5
449.15961	0.4
451.10403	2.4
457.11246	2.1
459.30896	0.9
463.10208	0.6
469.11264	2.5
475.10056	0.5
477.18686	0.9
477.32077	1.4
481.11624	0.5
493.11191	1.6
495.33252	1.9
511.12479	1.3
513.34552	0.3
527.15198	0.4
529.13306	2.4
533.11786	0.3
547.14343	2.2
551.05084	0.2
551.13336	3.5
552.13342	0.3
581.20111	4.7
599.20807	0.9
605.14288	0.5
623.05280	0.4
623.15350	6.8
624.15826	0.3
641.16547	5.8
642.16248	0.3
653.16168	0.7
671.17542	4.8
672.17615	0.3
725.18488	0.3
743.19080	2.0
761.20526	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	760.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01861	2.5
55.05297	0.6
55.05512	7.9
56.20716	0.6
57.03432	7.0
57.07064	1.2
61.02911	0.9
65.03936	1.3
67.05503	28.5
69.03421	5.5
69.07061	7.9
69.53239	2.4
69.53666	3.3
71.04988	1.6
73.02922	1.7
73.06556	1.0
77.03934	1.0
79.05486	23.9
81.03413	41.2
81.07051	26.7
83.04968	2.8
83.08614	9.2
85.02894	8.8
85.06539	1.2
86.09702	0.9
87.00810	2.4
87.04473	5.5
89.06026	28.6
91.05477	18.8
93.07036	23.1
95.04965	15.4
95.08601	19.7
97.02888	3.8
97.06530	2.4
97.10152	2.9
99.04440	1.2
99.08080	0.8
103.05450	4.9
105.01859	1.5
105.07024	100.0
106.07351	2.6
107.04948	4.8
107.07069	1.1
107.08593	11.9
109.02885	4.2
109.06503	2.2
109.10149	9.1
111.04447	1.1
111.08099	3.8
113.06023	0.8
115.05453	0.9
117.06993	5.1
119.04918	1.5
119.08573	15.1
121.06499	13.1
121.10128	11.6
123.04477	0.8
123.08021	1.4
123.11728	3.3
124.99993	1.2
125.09605	2.2
127.03896	5.8
128.06197	0.9
129.07010	7.6
130.08621	1.5
131.07028	1.8
131.08560	13.4
133.06493	1.4
133.08594	23.4
133.10083	8.0
135.08023	1.6
135.11685	5.6
137.05948	1.0
137.09598	1.5
137.13252	0.9
139.11208	1.2
142.07770	0.8
143.08566	1.8
145.04974	1.9
145.10132	5.6
147.08035	26.0
147.11687	6.9
149.09615	8.1
149.13295	2.3
155.08572	1.0
157.10112	5.7
159.02928	1.8
159.11700	2.3
161.13246	2.5
163.11197	1.5
163.14763	1.2
165.09042	1.0
165.12802	1.8
171.11630	1.6
173.09590	0.8
173.13246	2.8
175.09714	1.5
175.11061	4.5
175.14804	1.1
177.11215	8.7
177.12653	0.9
181.10172	1.5
183.10165	13.5
184.07353	4.0
184.10582	0.9
185.13316	1.1
187.14819	1.3
188.43597	0.7
189.11198	1.3
191.10620	1.4
193.12248	8.7
203.12764	0.9
209.13319	3.8
211.13156	0.8
221.13776	1.9
223.11241	1.5
225.12762	11.6
226.13060	0.8
227.12709	3.3
231.05011	0.8
241.19736	0.7
243.21078	2.6
249.12711	2.4
249.14954	1.1
251.14343	2.4
261.22134	9.2
267.15900	39.0
268.16345	1.8
269.15295	2.1
279.23193	0.8
283.17563	1.2
285.17105	0.9
287.16373	9.5
287.19083	0.9
288.16678	0.8
299.23462	0.7
301.25287	2.2
309.16910	0.9
311.16434	0.8
313.18005	1.9
317.24753	2.0
327.17331	1.9
333.24326	0.8
335.25769	36.3
336.26154	2.5
373.21561	3.6
389.21185	1.4
391.22614	1.0
417.31778	0.9
435.27179	0.9
435.32700	1.7
449.28662	0.7
449.96857	0.7
453.33688	3.0
471.34927	3.2
471.40823	0.7
509.36426	0.9
527.37366	27.3
528.37714	2.1
545.38342	24.0
545.46765	1.2
546.38385	1.8
563.39154	2.7
569.38300	1.2
635.39063	0.9
743.42310	0.8
760.46429	1.0
761.40076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
53.91961	1.5
55.01851	1.6
55.05265	1.3
55.05511	20.3
56.96638	1.3
57.03435	20.6
57.07068	3.6
57.61103	1.3
57.82119	1.2
61.02927	2.0
65.03944	2.5
67.05499	66.3
69.03411	3.8
69.07059	18.1
69.69566	2.2
69.69962	8.9
70.59352	1.2
71.04985	5.1
73.02892	1.7
74.73450	1.7
79.05487	42.1
81.03410	81.8
81.07050	69.1
83.04971	6.2
83.08610	21.8
85.02886	4.1
85.06544	4.0
86.09707	2.4
91.05470	36.3
93.07037	43.8
95.04964	28.2
95.08601	51.5
97.02908	3.4
97.06514	5.3
97.10152	9.6
99.08046	1.5
102.74392	1.5
105.07024	28.9
107.04961	5.3
107.08589	30.9
109.06510	4.7
109.10143	24.1
111.04433	2.6
111.08047	8.9
115.05450	2.1
117.07027	8.7
117.07751	1.4
119.08567	30.5
119.09325	1.6
121.06483	4.8
121.10121	25.7
123.04435	4.0
123.08038	3.7
123.11694	7.8
125.09634	5.6
128.06183	1.7
129.06984	12.7
131.08565	23.2
133.06505	3.5
133.10114	16.6
135.08070	2.6
135.11671	16.1
137.05965	1.7
137.09554	1.8
137.13252	2.3
139.11128	2.8
141.06862	1.5
142.07739	2.1
143.08569	2.1
145.10109	14.0
147.08011	2.7
147.11681	14.5
149.05957	2.0
149.09569	7.4
149.13243	8.0
151.11104	1.5
155.08617	1.3
157.10156	12.5
159.11708	7.3
161.13260	5.4
163.11174	2.5
163.14812	2.7
165.12788	2.6
171.11748	2.6
173.13268	6.2
175.11140	8.5
175.14789	2.9
184.07314	7.9
185.13284	2.3
187.14828	5.5
189.11218	3.6
193.12253	21.4
199.14790	3.2
211.13260	2.4
227.12721	7.8
235.13106	2.4
240.96274	1.5
243.21112	5.0
249.14755	2.7
260.67767	1.8
261.22137	25.0
267.15897	100.0
268.16290	1.7
279.23187	2.2
285.16965	2.7
301.25104	7.0
309.16794	2.0
317.24698	4.1
335.25769	94.1
336.26117	4.0
345.24387	1.7
408.11865	1.4
421.25586	4.5
435.32675	6.0
453.33670	7.4
471.34763	6.5
509.35791	2.1
527.37268	67.6
528.37537	4.7
545.38324	58.0
546.38611	4.1
553.53253	1.5
563.39423	4.5
569.38165	4.4
712.64148	1.8
761.40155	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	760.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01853	1.0
57.03412	0.4
60.04494	0.4
61.02911	0.5
69.03406	1.8
70.06567	0.4
70.75980	0.8
70.76373	0.8
71.04976	0.4
72.08142	0.5
73.02885	0.5
75.10258	0.4
77.85403	0.4
78.04681	0.4
79.05478	2.8
81.03414	8.9
81.07037	0.6
84.08110	0.5
85.02896	7.1
86.15845	0.4
91.05468	2.1
93.07063	0.4
95.04948	1.3
97.02876	2.8
97.03400	0.5
98.21464	0.5
99.04413	0.5
100.97543	0.3
102.04678	0.7
103.05441	1.8
105.07004	1.1
107.04941	8.2
109.02860	1.3
110.02400	0.4
115.05436	5.2
116.06233	0.4
117.06207	0.8
117.07008	13.8
119.04981	0.5
119.08576	0.5
119.95841	0.4
123.04400	1.9
124.05184	1.5
125.05951	1.5
127.03899	2.9
127.05399	0.4
129.06979	2.5
131.04883	1.3
131.08568	3.4
133.06473	0.7
137.05940	0.8
140.04788	0.4
141.06941	1.4
143.04889	0.7
144.05664	2.3
144.06621	0.8
145.04996	1.6
145.06470	35.6
146.06824	0.5
147.04398	1.5
147.08055	1.0
152.04652	0.8
152.07021	0.4
153.01807	0.5
153.05403	0.7
155.04991	0.5
155.06007	2.5
155.07016	0.8
156.05675	5.6
157.06415	2.4
159.08032	4.8
160.05199	1.3
161.05974	2.7
162.07620	1.7
163.03937	0.7
163.06079	0.4
167.07028	39.2
168.07368	0.5
172.05183	0.7
173.05969	63.7
174.06383	0.8
175.07524	1.5
177.05411	1.2
180.08664	3.3
181.04993	0.8
181.08578	1.2
183.06491	0.9
184.05167	1.4
186.06862	0.5
187.07532	4.9
190.06233	35.4
191.06870	1.6
193.08522	1.2
195.06476	0.7
202.06223	2.9
203.06984	7.5
203.08707	0.7
205.08580	100.0
206.04453	1.5
206.08905	1.2
207.06480	1.7
207.10117	0.8
208.05183	0.6
210.06784	0.5
214.08582	0.7
215.07106	1.0
217.08580	41.9
218.07103	0.7
218.09081	0.6
219.08034	1.4
219.10158	3.8
223.09615	2.9
229.08560	0.7
231.08060	1.1
235.09630	32.1
236.10057	0.7
247.07437	1.2
247.09673	7.6
248.08252	1.4
254.05780	0.6
259.07611	0.6
263.07156	0.4
263.10687	1.3
264.07739	1.2
265.10690	64.9
266.11084	0.7
269.04388	1.9
269.07980	0.8
270.05209	4.2
271.05472	2.8
271.09546	1.6
275.06909	0.6
276.07867	0.9
277.08679	0.7
279.10168	1.5
285.07535	15.9
286.07892	13.6
290.09344	0.6
291.10123	2.0
292.07211	0.7
293.07968	1.3
299.09122	1.5
307.09647	1.6
308.10428	0.5
311.12778	0.7
315.08557	5.1
316.09232	0.6
319.09619	0.9
323.09268	0.7
323.12564	2.2
330.10959	7.5
331.11646	2.0
336.09753	0.9
337.10550	0.8
339.12201	1.3
343.11844	0.9
351.12280	3.5
353.10339	0.9
356.12485	0.6
368.12463	1.0
369.13123	0.7
371.14786	2.8
383.14874	12.7
384.15207	0.7
401.15942	22.3
402.16235	0.5
519.75238	0.4
555.66333	0.5
574.84924	0.4
598.16199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01866	0.5
55.05492	0.5
57.03424	0.7
61.02915	0.5
65.03922	1.1
67.05489	0.7
69.03413	2.1
69.07053	0.5
70.06590	1.3
71.05003	0.3
72.08152	1.4
73.02907	0.4
78.04694	1.0
79.05490	1.8
81.03394	1.7
81.07051	1.4
82.04189	0.3
83.04977	0.7
84.08122	0.8
85.02900	3.7
86.09686	0.9
87.04485	0.4
91.05476	2.3
93.03388	0.3
93.07031	0.7
94.04160	1.6
95.04947	1.1
95.08573	0.8
97.02886	2.6
97.06500	0.8
98.09717	0.3
99.04441	0.9
99.08083	0.4
103.05477	0.6
105.03355	0.6
105.07013	1.1
106.04168	0.5
107.04939	1.9
107.08537	0.7
109.02879	1.4
109.06479	0.5
109.10155	0.7
109.66024	0.2
110.03655	0.4
111.04421	0.6
111.08046	0.3
115.05431	1.5
117.03356	0.6
117.07008	1.9
119.04926	1.1
119.08566	0.7
121.06487	1.0
121.10116	0.9
122.03633	4.9
123.04426	2.7
124.05193	1.2
125.05963	0.6
127.03911	5.7
128.04222	0.4
129.06973	0.4
131.04918	1.1
131.08533	0.4
133.06464	1.0
133.10143	0.5
134.03604	1.2
135.04358	0.5
135.08003	0.4
136.07527	0.3
137.05962	100.0
138.06320	0.6
139.03954	0.3
142.02678	0.2
143.04916	3.1
144.88283	0.3
145.02853	0.6
145.04961	0.5
145.06468	2.0
145.10117	0.6
147.04411	3.3
147.08031	0.8
147.11662	0.3
148.04741	0.4
149.05948	0.9
149.09618	0.5
151.03917	3.0
151.07532	0.5
152.04652	1.1
153.05453	0.4
158.07141	0.3
159.08043	0.5
161.05986	1.4
163.03981	0.4
163.07532	0.8
165.05476	0.6
165.09177	0.5
167.07024	66.4
168.07368	0.9
171.04413	0.4
171.06500	0.8
173.05948	3.3
175.03835	0.3
175.07492	1.4
175.14777	0.3
177.05403	1.2
179.07022	0.4
179.79266	0.3
181.04941	13.5
181.08444	1.3
182.05270	0.4
183.06453	0.5
187.07625	0.4
189.05472	1.0
191.07018	0.5
191.14299	0.3
193.08600	2.5
195.06561	0.3
201.05467	0.3
203.06929	1.4
205.08601	2.0
207.06534	1.1
209.08084	0.7
211.09627	3.8
213.05476	0.5
218.11963	0.3
221.08182	0.3
229.05107	0.3
233.08026	0.9
235.09570	1.9
241.04953	0.4
244.20401	0.3
247.07620	0.4
262.09927	0.4
269.04578	0.3
271.05945	0.8
275.07275	0.4
286.04785	0.9
289.08548	0.5
290.09384	0.6
291.10074	0.4
295.09821	0.4
301.06931	5.7
302.07208	0.3
305.11987	0.3
307.05899	0.4
307.09488	0.5
310.04678	0.9
313.07034	0.4
318.08844	1.9
321.07559	0.3
322.04874	0.4
325.07013	2.9
329.08130	1.0
333.11160	2.7
336.09952	0.3
337.06985	0.6
337.10583	0.6
339.08563	0.5
339.12427	0.4
345.07376	0.5
346.08365	4.1
347.09052	0.3
357.13284	6.6
361.10672	11.6
363.08560	0.6
364.09335	4.7
365.09940	0.4
372.12091	0.4
379.11725	31.1
380.12045	0.7
387.14343	78.7
388.14478	1.3
389.12335	0.4
409.09552	0.3
421.12930	0.7
435.18036	4.8
475.30713	0.4
493.31625	0.4
511.32269	0.3
541.16998	8.9
542.16992	0.4
597.23267	28.3
598.23322	0.7
759.27216	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	759.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.7
55.01835	0.6
55.05471	0.4
57.03429	1.4
57.03650	0.3
61.02919	1.8
67.05449	1.2
69.03423	4.5
69.07027	0.3
70.73106	0.9
71.04951	0.5
72.08078	0.3
73.02870	0.9
74.02656	0.3
79.05434	0.6
81.03413	2.3
81.07009	0.8
85.02896	18.7
86.09654	1.0
87.04417	0.5
89.03872	0.3
91.03902	0.5
91.05434	0.6
93.06976	1.0
95.08569	0.8
97.02881	5.7
99.04411	0.7
101.02249	0.3
101.42175	0.4
105.06978	0.5
107.08550	0.5
109.02868	2.0
114.71107	0.3
117.03345	0.4
118.75541	0.3
119.08540	0.4
123.04463	0.3
127.03896	3.8
134.03600	1.9
137.05954	0.4
140.45592	0.3
143.66487	0.3
145.04951	2.6
147.04330	0.3
148.73831	0.3
161.13264	0.3
163.05980	0.8
173.02905	0.5
177.05345	0.5
184.07307	2.3
189.05414	1.1
195.59137	0.3
213.05498	0.6
217.10130	0.5
230.05655	0.4
234.66768	0.3
245.05037	0.5
245.09569	1.5
247.07484	0.6
262.09793	0.4
273.09149	0.6
275.06808	0.3
289.08722	0.8
290.09378	1.0
301.08530	1.2
301.20105	2.8
305.07413	0.4
305.11685	0.6
307.09567	0.4
308.10492	0.3
310.04602	2.2
317.07980	0.4
318.08777	3.1
319.21225	0.9
322.04697	0.9
322.08398	0.8
325.07034	5.0
329.08081	1.8
333.11188	4.6
335.08939	0.5
336.09918	0.8
336.26199	0.6
337.06976	0.9
337.10800	0.9
342.22879	0.5
345.07443	1.1
346.08331	9.1
347.08795	0.6
361.10657	22.0
362.10950	0.8
363.08560	1.0
364.09399	8.7
365.10019	0.4
367.12100	0.4
379.11722	59.1
380.12198	0.9
403.11725	0.7
421.12460	1.0
435.17996	100.0
436.18396	1.9
537.29028	1.0
597.23132	0.4
699.34094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01831	0.2
55.05484	0.3
57.03410	0.3
59.04964	0.2
61.02890	0.2
63.01605	0.1
67.05474	0.2
69.03420	2.6
69.07063	0.6
70.88239	0.2
70.88641	0.3
71.04981	0.6
73.02921	0.6
73.03234	0.1
75.81709	0.1
79.05457	0.1
81.03410	3.2
81.07016	0.2
83.04960	0.3
83.08584	0.1
85.02895	5.7
87.04420	0.1
91.03894	0.1
91.05453	0.1
93.07005	0.1
95.08584	0.2
97.02299	0.2
97.02880	4.0
99.04445	4.2
100.04772	0.1
101.02363	0.1
103.03930	3.6
105.06937	0.1
108.22418	0.1
109.02870	3.3
115.03900	0.1
127.03902	8.2
128.04205	0.1
134.03604	0.4
135.08083	0.2
137.05901	0.1
145.04941	2.3
151.03937	0.2
155.10425	0.1
163.06018	0.6
165.05553	0.1
167.06958	0.2
181.06540	0.1
184.07315	0.2
187.05971	0.9
189.05475	0.2
195.02850	0.3
210.23059	0.1
213.05365	0.2
225.05331	0.1
245.09689	0.2
253.04921	0.3
254.05545	0.1
265.04895	0.1
271.08041	0.4
282.05118	0.1
289.08841	0.2
290.09406	0.1
293.04489	0.3
295.05765	0.2
301.08667	0.2
307.06079	0.1
309.07526	0.3
310.04691	7.3
311.05212	0.5
313.07089	1.1
318.08942	0.5
319.09341	0.1
321.07785	0.2
322.04742	0.3
322.08228	0.2
323.05402	0.3
323.09061	0.2
324.06320	1.0
325.07019	26.2
326.07330	1.5
327.07745	0.6
329.07898	0.4
333.11172	0.7
334.08270	0.3
335.09137	0.2
337.06857	0.6
337.10715	0.3
339.08627	1.3
346.08340	1.4
347.09229	0.2
349.06818	0.2
349.10721	0.2
351.08499	0.4
351.12296	0.1
353.10168	0.2
361.10675	2.8
363.08334	0.2
363.12436	0.2
364.09381	1.6
365.10046	0.5
365.13928	0.2
366.10889	0.2
367.11664	1.1
368.12064	0.1
377.10263	0.5
378.10675	0.4
379.11719	5.4
380.11966	0.2
381.13324	1.1
385.12860	0.4
393.13239	1.3
394.20969	0.1
396.11618	0.1
397.12692	0.6
407.18655	0.1
411.14569	0.1
420.15619	0.1
421.16528	0.1
435.17960	0.8
438.16660	0.6
451.17664	0.8
452.17892	1.3
453.19016	100.0
454.19394	3.0
616.85742	0.1
769.42926	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	759.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	2.5
55.05468	1.1
56.85947	0.5
56.96518	0.8
57.03408	0.8
58.20365	0.5
59.31981	0.5
59.35983	0.5
61.02854	0.8
67.05479	0.8
69.03424	6.0
69.05733	0.5
70.58602	2.2
71.04912	1.8
73.02860	1.5
79.05454	0.7
79.05905	0.4
81.03410	6.8
81.06985	1.3
83.04908	1.7
85.02903	12.5
88.41788	0.5
89.03828	0.6
97.02882	6.5
99.04445	11.6
103.03923	6.5
105.06987	0.6
109.02872	9.6
117.07005	0.5
119.04797	0.5
120.28194	0.5
127.02972	0.9
127.03906	17.7
134.03624	3.6
145.04938	4.4
147.04295	0.9
151.03827	0.7
163.05913	0.7
167.06966	0.7
185.05893	0.8
187.05858	0.7
189.05501	2.4
213.05421	1.5
213.07892	0.7
229.07294	0.7
231.08899	0.7
245.09550	1.6
247.08131	1.2
262.09854	1.0
273.09015	1.2
275.07324	0.7
289.08490	1.4
290.09351	1.9
293.07993	0.9
301.08389	2.6
305.11661	1.2
307.05920	0.8
307.09546	1.1
310.04630	4.8
317.08072	1.3
318.08951	4.9
321.07510	1.0
322.04605	0.9
322.08405	0.8
325.07056	17.5
329.08054	2.0
333.11215	7.3
336.06210	0.8
336.09857	1.2
337.06998	1.7
337.10684	1.8
345.07678	2.4
346.08325	12.8
349.07108	0.7
349.16760	1.5
351.08072	0.6
361.10672	34.8
363.08612	1.8
364.09415	11.8
365.10065	1.2
367.11847	1.3
367.17914	1.7
379.11725	100.0
380.12183	1.6
381.13370	2.1
390.19324	0.6
393.13492	0.6
397.12720	2.3
421.12491	0.6
435.18008	87.3
436.18280	1.5
453.19037	7.8
522.92853	0.5
541.16986	1.2
597.23071	3.4
623.21027	2.0
630.47931	0.7
638.67841	0.5
649.18872	1.2
667.20172	1.4
679.27173	5.0
681.24860	0.8
685.21204	3.1
687.22668	0.7
705.25195	8.5
723.26306	5.4
741.27441	9.8
759.28705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	1.8
53.17862	0.6
55.01844	1.1
55.05509	12.3
56.04183	0.6
57.03439	3.9
57.07035	1.8
60.08120	0.8
61.02890	2.0
65.03900	2.0
67.05504	50.8
69.03383	1.3
69.07066	11.1
69.70781	4.3
70.51265	0.6
71.04987	16.4
71.08577	0.7
73.02866	0.9
79.05491	27.4
81.03363	1.4
81.07055	76.2
82.07365	0.7
83.04949	2.6
83.08221	0.5
83.08618	5.9
85.02858	2.5
85.06546	5.9
86.09662	2.2
91.03908	1.1
91.05476	20.5
93.07043	29.8
95.04951	4.3
95.08603	25.3
97.02855	1.4
97.06519	3.0
97.10120	1.8
105.07026	12.9
107.08595	18.4
109.06480	2.6
109.10152	9.4
111.08037	1.9
117.07013	4.2
119.08578	7.9
121.10133	11.6
123.11700	11.9
124.99980	2.0
129.06931	0.8
131.08563	6.8
133.09233	0.8
133.10132	12.5
135.11688	7.0
137.41078	0.6
145.10126	4.1
147.11705	2.9
149.13257	4.6
151.11206	4.4
153.34850	0.6
159.11696	5.0
161.13229	2.8
163.14700	0.9
173.13245	2.1
175.14708	0.6
177.12721	1.9
183.13808	2.9
183.84726	0.7
184.07346	9.7
184.08795	1.2
187.13255	3.0
187.14798	1.3
197.60551	0.6
201.14845	1.3
202.14198	0.6
227.16452	0.9
243.15776	0.7
243.21094	0.9
257.17447	1.1
261.22125	2.4
269.17517	4.7
301.20105	14.0
317.24753	0.8
335.25787	29.6
336.26065	1.1
411.32474	0.9
429.81442	0.8
432.01059	0.6
473.10425	0.6
485.36292	1.9
503.37317	87.3
504.37653	3.9
517.38934	3.3
529.38928	11.0
547.40155	0.8
561.41498	100.0
562.41986	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	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
54.58298	0.9
55.01865	11.4
55.05504	17.0
57.03435	14.4
57.07066	2.9
61.02917	4.2
65.03938	3.9
66.49026	0.9
67.05499	75.3
69.03418	3.9
69.07066	15.8
71.04986	6.8
73.02926	1.3
75.92887	0.8
77.03907	1.0
79.05487	60.5
81.03411	9.6
81.07048	61.2
83.04971	23.6
83.05449	1.6
83.08611	8.3
85.02895	4.6
85.06531	5.0
86.09708	3.4
91.03938	1.3
91.04886	1.6
91.05468	39.4
93.07037	68.4
95.01357	2.5
95.04966	18.7
95.08599	39.8
97.02904	3.1
97.06518	16.7
97.10162	2.9
99.04434	4.6
99.08070	1.7
101.02349	1.6
105.07023	23.2
107.04332	0.8
107.04945	34.9
107.08583	38.0
109.02914	0.9
109.06517	4.0
109.10146	20.8
111.04436	32.7
111.08076	10.1
115.05450	1.6
117.07009	19.4
119.08571	26.3
121.06483	4.2
121.10128	48.1
123.04443	2.2
123.08084	3.6
123.11681	6.1
125.00026	2.1
125.06017	3.1
128.06226	1.4
129.05486	2.5
129.06985	6.1
130.07823	1.4
131.04916	3.6
131.08546	21.1
133.10118	10.9
135.08046	3.8
135.11679	46.3
137.09587	1.8
137.13239	1.3
139.07491	1.2
139.11151	1.1
141.46974	1.0
143.08543	3.4
145.06461	8.4
145.10109	45.7
147.08037	3.2
147.11676	9.0
149.09660	6.7
149.13237	5.1
153.12733	16.9
155.08551	10.8
157.10143	4.1
159.11708	7.0
161.09625	1.5
161.13222	5.9
163.11171	46.3
163.14850	3.1
164.11588	0.9
165.12718	2.1
169.10143	1.8
171.11752	1.6
173.09615	28.6
173.13240	5.4
175.14893	1.8
181.12219	24.6
183.11685	1.6
184.07326	10.1
185.13321	1.4
187.14850	2.7
191.10651	22.6
209.11681	9.7
209.13336	1.3
227.12761	21.4
231.00920	0.9
243.21123	3.6
259.20578	2.4
261.22125	17.7
261.24762	1.5
265.14328	47.6
267.16010	3.4
277.21622	1.1
279.23166	3.4
281.13809	1.7
283.15375	93.5
299.14703	2.1
301.16428	100.0
317.24768	1.9
320.15533	1.1
335.25769	55.9
361.23483	1.2
423.32449	1.5
433.31018	2.7
451.31830	6.0
469.33081	4.8
487.34335	1.4
497.36276	1.9
515.37366	8.4
525.35748	17.0
543.36829	43.5
561.37793	52.4
562.37939	1.8
579.38708	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	758.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.2
55.01871	7.9
55.05507	19.1
55.51353	1.2
57.03428	14.4
57.07051	3.9
61.02914	4.5
64.48055	1.4
65.03931	3.6
67.05499	87.3
69.03403	3.2
69.06776	1.4
69.07066	16.7
70.75640	3.7
71.04974	5.1
73.02925	1.8
79.05484	64.7
81.03404	11.8
81.07050	67.7
83.04978	18.0
83.08628	7.8
85.02895	7.1
85.06532	7.6
86.09695	11.7
86.53159	1.3
91.03913	2.1
91.05472	39.2
93.07033	76.8
93.50648	1.4
94.22733	1.4
95.01328	2.9
95.04964	19.3
95.08595	49.4
97.02863	3.6
97.06512	11.0
97.10155	3.8
99.04429	3.7
99.08093	1.9
103.05425	1.6
105.06371	2.2
105.07021	26.2
107.04944	30.2
107.08585	37.2
109.06532	7.8
109.10148	18.6
111.04433	27.8
111.08052	8.8
115.05417	1.6
115.71523	1.1
117.07001	18.6
119.08574	24.1
121.06506	3.2
121.10133	45.9
121.11009	2.6
123.04418	4.0
123.08055	3.4
123.11684	5.0
125.00000	8.3
125.05975	3.1
127.72754	1.5
129.05486	1.9
129.06946	6.8
130.07726	2.8
131.04901	3.4
131.08563	20.8
133.10130	11.2
135.08005	2.5
135.11679	42.5
143.08527	3.9
145.06517	9.2
145.10104	45.5
147.08031	4.1
147.11688	8.6
149.05937	1.3
149.09605	7.6
149.13213	6.1
151.11172	1.4
152.89381	1.2
153.12711	12.9
155.08540	10.8
157.10147	1.6
158.07329	2.2
159.11655	8.0
161.13217	4.0
163.11162	40.1
163.14832	2.0
171.11665	2.1
173.09612	30.6
173.13266	5.6
175.11209	1.6
175.14830	2.6
181.12212	15.1
183.11780	1.7
184.07312	43.2
185.07623	2.2
185.13164	1.5
187.14838	2.9
191.10651	20.5
201.16219	1.6
209.11708	7.2
227.12755	15.2
233.22723	1.9
243.21089	4.0
261.22113	17.3
265.14334	39.0
265.17145	2.1
277.21713	1.5
279.23309	2.9
283.15369	81.7
301.16422	55.0
317.24695	4.5
324.54462	1.2
335.25769	100.0
336.26306	2.4
339.15887	1.3
423.32666	2.9
433.31085	1.8
451.32053	5.7
469.33124	3.1
487.34552	1.6
497.36731	1.4
515.37268	8.1
525.35840	13.1
543.36761	67.1
544.37329	2.6
561.37836	81.2
562.38184	3.5
759.42920	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	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.1
54.77800	1.8
55.01871	6.1
55.05257	2.5
55.05506	33.3
55.40366	1.8
57.03182	2.5
57.03434	31.7
57.07066	2.9
61.02905	7.3
65.03911	5.0
67.05495	68.1
68.16638	1.5
69.03422	8.9
69.07059	23.7
71.04987	12.6
71.62405	1.9
73.02911	2.1
77.03911	2.4
79.05484	75.9
79.54514	1.5
80.48103	1.6
81.02912	2.0
81.03407	72.3
81.07047	98.8
83.04974	20.6
83.08610	32.6
84.13810	1.7
85.02896	41.2
85.06517	7.5
91.03935	2.6
91.05469	87.8
93.07035	78.6
95.04958	35.7
95.08591	46.5
97.02895	10.7
97.06506	12.2
97.10154	8.4
99.04424	2.5
99.08096	5.5
105.07017	67.4
107.04941	9.5
107.08582	41.6
109.06480	9.9
109.10143	19.0
110.46106	1.6
111.04412	2.4
111.08080	18.8
113.06000	4.9
115.05428	3.3
117.07030	14.6
119.08562	57.0
121.06498	3.8
121.10126	40.4
123.08046	7.5
123.10886	2.0
123.11694	8.1
125.09571	4.1
127.03896	2.8
128.06235	2.9
129.06982	22.8
131.08557	38.3
133.06505	4.3
133.10109	42.3
135.11667	17.9
136.96880	1.8
137.09596	4.1
141.06926	1.9
142.07787	4.0
143.08524	6.2
145.10085	17.7
147.07999	5.1
147.11667	42.8
149.09627	10.5
149.13219	9.1
151.11113	2.0
155.08627	2.4
157.10110	21.8
159.11665	16.3
161.13281	14.8
163.11179	5.0
163.14807	2.9
165.12756	6.8
167.08586	2.2
169.10152	2.9
171.11703	7.7
173.13263	7.0
175.11160	18.0
175.14822	7.2
177.12651	2.8
181.10248	1.8
185.13245	7.8
187.14772	9.3
189.12811	3.1
193.12221	55.9
199.14815	3.3
209.13200	2.0
211.13257	80.6
221.18996	2.3
227.12779	2.9
229.14229	2.3
241.19472	10.8
257.18958	2.2
259.20554	31.0
267.15924	35.2
269.17511	6.5
275.20288	1.8
277.21606	23.3
283.15497	2.5
285.16919	100.0
293.21042	7.1
315.23187	3.0
322.71616	2.0
333.24222	26.0
335.25674	3.3
351.25253	37.7
433.30939	3.4
451.31750	2.5
463.30759	4.3
479.30084	2.9
503.33301	4.3
525.36017	8.1
543.36682	34.7
561.37842	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
53.34773	2.6
55.01861	6.5
55.05502	33.4
57.03432	26.5
57.82491	2.5
61.02913	7.9
65.03941	5.1
67.05501	88.4
69.03423	10.7
69.07057	32.1
71.04972	13.3
71.64006	2.7
71.64466	4.6
73.02905	4.1
79.05489	90.9
81.03416	57.4
81.07051	100.0
83.04980	15.0
83.08607	28.1
85.02894	29.1
85.06527	5.0
87.04436	5.1
89.94478	2.8
91.03932	4.2
91.05470	79.7
93.06461	5.8
93.07037	92.2
95.04957	35.5
95.08597	57.2
97.02879	12.0
97.06530	16.5
97.10152	15.0
99.08084	4.7
105.07028	74.5
107.04954	8.0
107.08591	64.7
109.06491	12.5
109.10152	17.9
111.08063	14.3
115.05417	5.0
117.06998	18.5
119.08572	55.1
120.08907	3.3
121.06480	5.7
121.10138	32.5
123.04393	3.3
123.08013	6.3
123.11701	9.4
125.09616	7.2
127.03870	3.1
129.06981	16.4
131.08556	35.2
133.08548	5.4
133.10126	45.7
135.08031	5.4
135.11700	20.7
137.09576	3.9
143.08554	7.6
145.10132	28.8
147.08101	4.1
147.11684	25.8
149.09563	10.0
149.13234	18.3
151.11227	3.9
151.71159	3.2
152.59077	3.1
157.10092	16.3
159.11703	21.8
161.13213	10.7
163.11162	3.5
169.10156	3.1
171.11609	4.3
173.11769	3.4
173.13210	7.1
175.11183	8.6
177.12769	5.4
185.13197	4.1
187.14859	5.4
188.29965	3.2
188.31908	3.0
189.09271	3.1
189.11189	5.5
191.10638	3.5
193.12219	28.4
195.13782	11.0
211.13260	45.1
227.12790	8.7
229.14253	4.0
239.17957	3.1
241.19418	5.0
246.69420	2.9
259.20499	22.6
262.22009	3.1
267.15826	15.5
269.17456	52.4
275.20056	13.2
277.21680	17.8
285.16953	57.0
293.21146	4.0
315.23221	4.6
333.24213	21.2
349.23700	15.5
351.25302	35.2
365.22867	4.8
367.24954	3.0
421.94385	3.3
423.27353	14.1
439.26465	3.7
445.29236	3.4
449.28873	5.8
463.30566	38.3
485.32214	4.8
496.27930	4.6
503.33936	6.0
525.35596	5.5
543.36755	56.6
561.37787	38.6
687.40814	3.8
759.39056	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	758.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01868	7.0
55.05505	25.7
57.03438	15.5
57.07054	2.9
60.08158	5.4
60.64171	1.7
61.02916	4.3
65.03925	2.9
65.75106	2.0
67.05502	78.3
68.05824	1.7
69.03429	3.5
69.07064	22.1
69.76967	8.1
69.77390	4.0
71.01374	2.3
71.04987	4.3
71.07336	2.4
73.02885	2.5
79.05486	55.9
80.05832	1.9
81.03408	13.6
81.07050	74.6
83.04977	16.0
83.08625	15.7
85.02900	6.4
85.06527	3.9
86.09698	24.5
91.03930	3.0
91.05478	40.0
91.06001	1.4
93.07038	79.2
94.07384	2.0
95.04964	16.6
95.08600	64.5
97.02874	11.1
97.06499	8.1
97.10156	6.5
98.20830	3.6
99.04478	3.9
105.07024	24.5
107.04942	14.6
107.08582	44.4
108.08886	2.0
109.02866	4.0
109.06493	7.6
109.10151	24.6
111.04450	11.5
111.08067	4.6
117.07002	12.7
119.08565	27.0
121.06487	6.1
121.10134	31.8
123.04401	1.9
123.08071	5.1
123.11692	8.0
124.99996	16.7
125.06037	1.7
125.09586	2.3
129.06970	3.1
131.04878	2.0
131.08565	20.1
133.10106	15.8
134.01413	1.6
135.08014	2.4
135.11685	27.1
137.09608	3.8
143.08493	5.1
145.06456	2.6
145.10118	22.7
147.07994	4.5
147.11684	9.4
149.05978	3.2
149.09613	4.9
149.13246	5.3
151.11110	5.0
153.12703	5.9
155.08545	4.1
157.10129	3.5
159.11671	6.8
161.09622	4.1
161.13257	5.6
162.09964	2.2
163.11191	26.7
163.14803	2.9
171.11607	2.5
173.09651	8.1
173.11931	1.9
173.13293	8.1
175.14804	2.0
181.12239	5.1
184.07327	85.5
185.07657	3.9
185.13268	2.4
187.14894	3.4
191.10658	11.2
209.11700	27.4
209.13542	3.0
227.12744	14.1
241.15990	1.8
243.17456	2.4
243.21190	4.7
253.14430	2.7
259.20602	3.1
261.22110	14.0
265.14294	2.4
270.11334	2.0
283.15390	61.2
285.16635	1.9
299.14877	5.3
299.23752	3.5
300.15118	5.6
301.16434	40.6
301.21564	2.4
315.23032	2.8
333.24338	2.2
335.25775	100.0
336.26169	5.5
337.26373	2.8
339.15997	2.9
382.83075	1.9
433.31049	5.1
451.31882	8.1
469.33112	8.5
525.35852	18.6
543.36810	89.4
544.36707	2.4
559.36926	2.0
561.37708	42.6
562.38043	2.5
575.98956	2.3
758.57288	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01835	0.3
55.05481	0.3
57.03400	0.4
61.02880	0.5
67.05467	0.2
68.25554	0.1
69.03426	3.6
69.07057	0.6
69.63893	0.4
69.64318	0.6
71.04987	0.8
73.02922	0.7
73.03835	0.1
79.05482	0.1
81.03413	4.5
81.07016	0.3
83.04928	0.5
84.35454	0.1
85.02900	9.2
87.04411	0.2
88.83486	0.1
89.03870	0.1
91.05461	0.3
93.07013	0.4
95.04919	0.3
95.08567	0.3
97.02888	5.7
97.06467	0.2
99.04449	7.0
101.02325	0.2
103.03932	6.0
105.07003	0.2
105.36756	0.1
107.04901	0.2
107.08595	0.2
109.02871	4.4
109.06535	0.2
109.10104	0.2
110.19283	0.1
112.40826	0.1
115.03857	0.2
117.03346	0.4
117.06981	0.1
119.08518	0.2
121.10135	0.2
121.61163	0.1
123.04398	0.3
127.03906	12.2
131.08488	0.1
134.03587	0.4
135.04251	0.1
135.11650	0.1
135.78322	0.1
137.05920	0.3
145.04950	3.9
145.10071	0.2
147.04358	0.3
149.05978	0.3
151.03870	0.3
159.11690	0.1
163.06001	1.1
167.06985	0.4
168.15852	0.1
169.04968	0.2
173.05930	0.1
175.07603	0.2
177.05423	0.2
181.04912	0.1
181.06381	0.2
187.05940	0.9
195.02861	0.6
197.05946	0.2
199.05942	0.3
213.24376	0.1
228.04031	0.2
229.04907	0.5
233.09573	0.2
247.05945	0.2
253.04900	0.6
254.05573	0.2
260.08252	0.2
261.09021	0.4
269.08203	0.2
271.08063	0.6
277.08524	0.3
282.05173	0.4
289.08746	0.5
293.04404	0.6
297.07645	0.5
298.04758	0.3
300.06223	0.2
305.08026	0.4
306.08829	0.6
308.10330	0.3
309.03830	0.2
309.07376	0.3
310.04697	14.9
311.05115	0.3
313.07050	1.2
316.07309	0.2
317.07938	0.3
317.95877	0.2
318.08865	0.2
321.11240	0.6
323.09283	0.3
323.12732	1.3
324.06168	0.3
325.07028	63.8
326.07333	1.7
333.07474	0.4
334.08261	1.3
335.09094	0.6
337.06927	0.3
337.10696	0.4
338.07831	0.5
339.08636	0.6
344.06735	0.9
345.07581	0.3
349.06747	0.2
349.10721	3.0
350.11234	0.2
351.12268	3.6
353.10135	2.0
359.09122	1.1
361.06937	0.2
362.07800	3.7
363.08215	0.3
365.10083	1.0
367.11758	8.5
368.11981	0.3
377.10172	22.8
378.10513	0.8
379.11780	0.2
381.13403	1.1
383.11444	0.6
393.13528	0.2
395.11261	4.2
396.11761	0.2
397.12784	0.1
405.17249	0.2
411.14526	0.3
418.14279	0.2
419.15289	0.3
420.15524	0.3
423.17896	0.4
433.16434	2.2
451.17484	100.0
452.17831	3.6
491.30139	0.2
493.18359	0.2
757.26050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85785	0.1
53.03933	0.6
55.01862	0.4
55.05497	0.2
57.03424	0.3
58.43721	0.1
58.92920	0.1
63.02370	0.1
65.03927	1.4
67.05497	0.5
68.02681	0.1
69.03427	2.0
69.03767	0.3
69.07051	0.4
70.06576	0.4
71.05000	0.3
71.63338	0.2
72.08148	0.3
73.02905	0.3
76.03142	0.3
77.03931	0.5
79.05486	0.5
79.06036	0.1
81.03411	5.4
81.07034	0.6
83.04977	0.3
83.08559	0.1
84.08121	0.2
85.02905	2.0
85.06535	0.2
89.03909	0.6
89.68571	0.1
91.05473	19.8
92.05810	0.1
93.03381	0.3
93.07019	0.6
95.04955	0.8
95.08610	0.4
97.02885	1.1
97.06508	0.2
99.04433	1.1
103.03971	0.1
103.05470	0.7
104.02538	0.1
105.03387	0.5
105.07038	0.7
107.04940	0.5
107.08567	0.4
108.05754	0.1
109.02872	2.4
109.06505	0.3
109.10144	0.4
111.04403	0.3
117.03335	0.1
117.07005	0.2
118.04155	0.3
119.04934	31.6
119.08565	0.5
120.05209	0.3
120.08093	0.1
121.02856	0.3
121.06498	0.3
121.10146	0.4
122.03662	0.2
123.04419	0.6
123.08087	0.2
123.11689	0.1
127.03909	3.7
129.03337	0.6
129.04305	0.2
131.04915	0.9
131.08545	0.2
132.02057	1.1
133.02850	0.5
133.06433	0.2
133.10107	0.4
134.03584	0.3
135.04376	0.8
135.11731	0.1
136.05182	0.5
137.02303	0.3
137.05899	0.7
138.05511	0.1
141.07072	0.2
145.02817	0.7
145.04942	0.2
145.06410	0.2
145.10095	0.2
146.03583	0.2
147.04399	30.2
147.11740	0.4
148.04800	0.3
149.02362	1.0
149.05971	0.3
149.09570	0.1
149.13312	0.1
149.65471	0.1
150.03107	0.2
151.03885	0.4
157.03949	2.4
159.04321	0.1
160.01486	0.2
161.05997	0.4
162.03084	0.2
163.03857	1.4
163.07448	0.3
163.11157	0.3
164.04694	0.9
165.09114	0.2
167.07039	1.7
167.08374	0.2
169.09959	0.1
173.05989	0.3
173.09741	0.1
175.03893	50.3
176.04359	0.7
177.05504	0.6
177.09093	0.1
178.02672	0.1
179.07022	2.5
181.04913	0.6
181.08629	0.1
189.05461	0.3
189.09058	0.2
189.12770	0.2
191.03383	1.1
191.06912	0.2
191.14270	0.2
192.04172	1.2
193.04900	0.2
193.08623	0.3
197.06033	0.2
201.05492	0.2
203.03336	0.2
204.04163	0.4
205.04927	0.6
207.06509	100.0
208.06802	0.9
209.04501	0.2
209.09651	0.1
215.07033	0.1
221.04411	0.4
222.05168	0.4
225.05640	0.2
225.07590	0.5
235.14534	0.1
237.09103	0.2
239.07034	0.3
243.06688	0.2
252.12259	0.1
253.08578	0.5
255.06493	0.2
264.07651	0.2
265.08609	0.4
267.06387	0.3
271.05902	0.3
281.08051	1.6
282.08752	0.5
283.05957	0.2
285.07562	0.5
293.08035	0.8
295.06009	0.3
296.06363	0.1
297.11145	0.6
309.07202	0.7
310.08301	0.4
311.09015	0.1
313.06903	0.3
319.05884	0.3
320.07010	0.2
321.07422	1.1
323.05246	0.2
325.07178	0.3
325.10519	0.2
335.09073	0.3
337.07056	4.0
338.07825	11.2
339.08307	0.4
350.03900	0.1
351.10736	5.6
352.10931	0.1
353.10165	26.6
354.10507	0.4
356.08838	0.6
357.88544	0.1
369.11786	6.1
371.11230	22.6
372.11517	0.5
389.12283	40.9
390.12906	0.7
398.70816	0.1
416.14639	0.2
417.15375	0.4
431.15192	0.1
473.28732	0.2
533.16504	1.4
551.17920	0.3
577.17114	0.1
595.18298	0.3
757.24255	0.4
757.38123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.5
53.03930	2.3
55.01859	2.2
55.05510	14.5
57.03436	10.6
57.07070	2.2
58.50546	0.7
59.04993	1.9
61.02927	2.4
65.03924	0.9
67.05502	35.7
68.09119	0.7
69.03431	2.3
69.07067	7.1
70.68755	0.7
71.04981	1.7
71.64514	1.0
71.64967	1.1
72.67741	0.9
73.02921	1.4
79.05489	22.2
81.03438	3.8
81.07053	38.2
83.04982	3.0
83.08617	11.1
85.02905	2.9
85.06544	2.1
91.05479	23.7
91.06059	1.1
93.07043	31.3
95.04964	5.0
95.08606	24.6
97.02899	4.6
97.06534	3.5
97.10158	2.3
99.00804	12.5
99.08099	0.9
105.07027	17.4
107.04929	4.0
107.08588	16.0
109.02862	7.6
109.06534	3.0
109.10151	11.9
111.04467	1.4
111.08085	4.6
115.03905	1.9
117.07009	4.6
119.08587	11.3
121.06501	4.1
121.10139	9.2
123.04410	1.1
123.08106	1.3
123.11731	4.5
125.09595	1.3
127.03915	3.4
131.08591	5.5
133.10127	29.6
135.08066	1.0
135.11684	7.2
137.05992	1.2
137.09637	0.9
137.13243	1.0
139.07527	2.8
143.08568	3.3
145.06511	0.7
145.10110	4.9
147.11668	3.6
149.13239	3.5
149.14369	0.9
151.11171	10.4
159.11731	4.1
161.09616	14.3
161.13301	2.4
163.11165	0.9
163.14835	2.5
165.09065	1.5
171.08049	3.0
173.13286	2.7
175.14708	0.9
177.16409	0.9
179.10672	8.6
187.14832	1.5
188.23709	0.8
189.09131	8.8
197.11807	1.7
199.20018	0.8
207.10216	2.7
225.11169	11.7
227.12711	1.1
243.12337	3.1
243.21054	3.7
261.22122	16.8
270.84204	0.8
277.21613	1.1
279.23178	1.5
281.13846	2.5
299.14886	100.0
300.15308	2.1
315.23187	1.8
317.24783	2.4
333.24188	1.5
335.25790	72.5
336.26172	2.2
337.83685	0.8
449.30396	1.4
467.31601	4.3
485.32715	2.7
513.35748	2.8
515.37482	1.5
531.36749	1.4
541.35095	9.0
549.91107	1.0
559.36298	37.1
560.36420	1.6
577.37299	2.7
751.28046	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.0
53.03935	2.4
55.01862	3.8
55.05507	16.4
56.78633	1.3
57.03435	9.9
57.07079	1.9
59.04984	2.0
61.02916	3.6
67.05498	48.9
69.03426	2.8
69.07072	12.1
71.01339	2.3
71.04987	2.0
71.62989	2.4
79.05057	1.8
79.05485	29.5
81.03397	4.9
81.06573	2.5
81.07047	48.4
83.04963	3.7
83.08610	12.8
85.02881	4.3
85.06533	2.3
86.09641	1.6
87.15814	1.4
91.03949	2.4
91.05476	30.1
93.06467	2.1
93.07036	40.8
95.04948	6.9
95.08602	34.0
97.02874	6.3
97.06528	3.1
97.10139	2.9
99.00806	15.2
105.07018	23.2
107.04927	3.0
107.08584	23.5
109.02896	8.9
109.06500	3.8
109.10146	18.7
111.08065	3.9
117.07008	4.8
119.08572	16.1
121.06474	4.6
121.10130	13.9
123.04397	2.3
123.11696	5.3
125.09629	1.9
127.03934	3.2
129.07014	2.5
131.08580	10.2
133.06480	1.7
133.10117	40.3
135.11711	8.6
137.05989	2.3
137.09605	2.3
137.13292	1.5
139.07530	3.3
143.08536	4.6
145.10089	5.7
147.08115	1.5
147.11658	5.9
149.09622	2.0
149.13231	8.0
151.11186	10.6
151.14870	1.3
153.36278	1.3
159.11687	4.7
161.09604	14.9
161.13202	2.1
163.11125	2.5
163.14821	2.2
171.08029	3.9
173.13228	5.0
175.14787	2.0
179.10648	8.7
184.07271	2.6
187.14864	2.0
189.09117	8.6
189.26978	1.6
197.11746	2.5
198.02299	1.5
207.10036	3.2
225.11162	13.0
243.12257	3.6
243.21048	5.7
261.22147	19.8
279.23361	1.7
281.13806	4.8
299.14865	92.4
300.15414	1.6
315.23215	2.5
317.24789	3.8
335.25760	100.0
336.26093	3.1
449.30399	2.1
467.31396	4.2
485.32935	2.3
486.38403	1.5
513.35553	2.1
531.36493	2.1
541.35175	11.6
545.38019	2.0
559.27533	2.6
559.36267	53.2
560.36340	1.8
577.37231	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	756.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	1.2
55.02002	1.4
55.05355	5.7
55.05658	6.1
55.71846	0.6
57.03280	3.4
57.03598	3.4
65.03812	0.9
67.05324	7.9
67.05737	5.5
69.03256	2.7
69.03658	1.4
69.06891	3.3
69.07295	1.8
70.06429	1.2
70.06802	1.5
71.04813	2.3
71.05234	1.5
79.05292	10.7
79.05813	4.4
79.86265	0.7
81.03217	28.5
81.03754	11.1
81.04070	1.1
81.06856	10.3
81.07398	3.9
83.04784	3.2
83.05318	1.2
83.08415	10.1
83.08978	3.6
84.07971	1.0
85.02692	3.1
85.03248	1.0
85.06384	1.1
86.09506	0.6
87.04285	0.8
91.05264	10.2
91.05903	2.6
93.06834	9.2
93.07492	2.6
95.04752	13.6
95.05428	3.6
95.08383	6.1
95.09058	1.6
97.02670	3.7
97.03342	1.3
97.06315	2.5
97.09944	9.8
97.10648	2.7
98.09541	0.9
99.04293	0.9
100.07458	0.9
103.03763	0.7
103.05329	0.7
105.06796	9.5
105.07602	2.3
107.04723	10.3
107.05512	1.9
107.08359	8.1
107.09164	1.5
109.02641	2.1
109.06281	8.2
109.07089	1.3
109.09928	4.8
109.10723	1.3
111.04235	1.5
111.07848	4.0
111.08652	1.3
112.07397	0.9
113.43150	0.5
115.05212	1.0
117.06774	5.4
119.04713	1.7
119.05446	0.7
119.08335	8.4
119.09254	1.3
121.02667	0.8
121.06260	7.6
121.09894	7.1
123.04177	2.2
123.07828	3.4
123.11460	1.9
123.12264	1.0
125.05788	1.0
125.09377	9.6
125.10395	1.5
127.03674	4.5
127.05225	0.8
129.06747	5.6
129.07776	1.4
131.04683	1.9
131.05539	0.7
131.08304	7.7
133.06248	3.7
133.09869	3.8
135.04248	0.6
135.07790	5.5
135.11421	2.5
137.05711	2.0
137.09404	1.8
137.10329	0.7
138.08893	0.7
139.10999	0.6
141.06786	1.3
142.07532	1.2
142.08429	2.0
143.08237	2.0
145.06235	4.7
145.09843	5.0
147.04167	2.9
147.07788	3.2
147.11420	6.1
148.98528	0.6
149.05789	1.4
149.09346	4.4
149.13097	0.8
151.07391	0.9
151.11006	1.0
153.08824	2.7
155.08295	1.7
157.06277	1.2
157.09859	5.4
159.07796	2.2
159.11397	2.2
159.12633	0.8
161.05688	1.8
161.09352	2.4
163.07367	1.4
163.10895	3.2
165.12627	1.2
166.08388	1.0
167.06787	2.9
167.08298	1.3
167.10457	1.1
169.09856	1.0
171.07770	1.7
171.09991	1.0
171.11455	1.9
173.09415	1.2
173.12981	1.4
175.06030	0.7
175.07425	0.8
175.10919	5.5
175.14700	0.9
177.05234	2.4
177.12543	0.9
181.09935	0.9
183.07811	1.3
183.11443	0.9
185.09424	1.6
185.13036	2.1
187.10973	1.5
187.14670	1.0
189.08887	0.7
189.10942	6.6
189.12590	1.7
191.14061	1.9
193.08461	1.0
193.12236	13.7
195.11443	1.4
197.09496	0.7
197.13023	1.7
199.11031	1.5
199.12898	0.8
199.14641	0.9
205.11957	1.8
207.06230	1.9
211.12939	1.1
213.12547	1.0
215.10571	0.8
215.14044	1.9
217.08359	0.9
217.12036	1.3
219.13593	2.0
223.13068	1.0
227.12502	1.9
231.13503	1.7
233.13081	0.7
233.15305	3.9
235.13072	1.3
237.12596	1.1
248.15654	0.6
249.14653	1.7
255.06381	1.4
255.13541	2.1
256.06567	0.7
259.13193	1.8
267.15903	36.6
271.16736	1.1
273.14734	6.2
275.16293	1.5
278.11530	1.0
285.07248	0.8
289.17926	0.9
293.17538	0.7
324.06332	0.8
337.10394	1.0
339.08511	1.7
339.23224	3.0
349.21594	4.5
351.08496	0.8
353.10077	0.7
357.24161	1.4
365.10040	1.4
367.11765	1.0
367.22659	14.5
369.95935	0.6
379.11646	1.1
385.18719	1.1
385.23718	20.7
393.13242	2.0
395.10828	0.8
403.24744	6.9
411.14240	1.4
419.14841	2.0
423.25226	0.9
428.92850	0.6
429.15454	0.8
430.12704	3.1
441.26413	9.5
448.13754	1.9
459.27386	100.0
460.27725	1.8
473.29227	0.9
476.53644	0.7
477.28476	98.1
478.28876	2.2
491.30026	12.8
501.28665	1.9
509.31326	7.3
531.30469	0.7
541.33624	1.0
543.29822	1.1
548.28094	0.7
567.29791	1.9
576.19702	1.4
581.19635	0.8
594.20184	1.1
610.19232	0.9
756.30823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.1
57.03433	1.3
57.07063	0.9
67.05501	11.3
68.99776	1.0
69.03408	2.7
69.07051	2.7
71.03532	3.1
77.00305	0.8
79.05498	8.6
81.03416	5.2
81.07052	10.2
83.08614	1.0
85.02875	1.9
86.09713	2.1
91.05476	9.0
93.07038	11.0
95.04948	3.3
95.08604	6.9
97.02869	1.7
103.05460	2.6
105.07038	12.7
107.04955	1.8
107.08585	6.2
109.02868	1.6
109.06502	1.6
109.10151	3.5
115.05463	1.2
117.07038	4.5
119.08552	4.1
121.06487	3.9
121.10162	4.2
123.04422	54.4
123.08083	1.4
123.11671	1.2
124.99998	1.6
127.03892	1.2
129.06943	1.4
131.08554	3.5
133.06476	1.6
133.10091	2.8
135.08089	4.8
135.11647	2.0
137.05995	2.1
143.08542	1.1
145.06448	2.2
145.10101	2.6
147.04402	4.2
147.11662	2.6
149.05969	16.7
149.09570	1.6
149.13289	1.6
151.07494	5.5
157.10037	0.8
159.11697	2.4
160.05196	1.3
161.05905	2.2
161.09621	3.8
161.13052	0.9
162.06726	3.0
163.07533	33.3
165.01874	0.8
165.05455	3.8
165.09131	2.4
165.77879	0.9
171.11801	1.5
173.06042	1.1
173.13130	1.0
174.06790	2.6
175.07513	2.1
175.14828	1.2
177.09093	61.4
181.08585	15.1
184.07350	5.1
189.05460	2.8
189.09091	8.9
215.06993	1.4
231.06590	0.9
239.10666	1.0
253.24910	0.9
273.22064	1.6
277.21692	0.9
285.11227	6.1
299.12753	100.0
309.11295	2.0
317.13834	32.2
323.12814	7.2
335.25784	1.4
341.13855	15.3
365.14001	4.5
369.24377	1.1
383.14954	1.6
407.14786	3.9
425.15915	2.2
685.37207	1.4
703.38409	1.3
721.39264	2.5
756.45203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01860	0.4
55.05515	1.2
55.82709	0.2
57.03434	2.1
57.07069	0.3
57.18100	0.2
61.02925	6.0
65.03920	0.5
67.05500	4.6
69.03425	3.4
69.07064	1.3
69.60055	0.8
69.60479	1.1
71.04991	0.6
73.02911	4.2
75.04466	0.3
79.05486	3.2
81.03423	2.5
81.07051	4.7
83.08607	0.7
85.02415	0.4
85.02899	5.9
85.43502	0.2
87.04433	0.5
91.03948	3.7
91.05483	3.0
93.07036	3.4
95.04963	1.3
95.08604	4.0
97.02885	5.2
97.06513	0.5
99.04469	0.9
101.02373	1.6
105.07022	2.6
107.04954	0.3
107.08586	2.1
109.02891	0.9
109.06509	0.3
109.10133	1.5
115.03967	0.4
117.07056	0.6
119.08566	1.6
121.06505	0.2
121.10126	1.5
123.11723	0.6
126.05438	0.3
127.03920	1.9
129.06992	0.4
131.08571	0.8
133.10123	1.1
134.79868	0.2
135.11693	0.8
142.63916	0.2
145.04935	0.5
145.10162	0.6
147.11697	0.8
149.13280	0.5
157.10147	0.5
159.11668	0.3
173.13252	0.3
175.11192	0.3
184.07346	0.6
185.04207	0.6
193.12328	0.3
203.05190	0.3
243.08313	2.1
251.12515	1.1
261.22171	0.3
269.12341	0.3
307.15060	0.3
335.25897	0.9
339.16052	0.5
393.09628	0.4
469.20474	4.4
497.31033	0.3
519.29303	7.7
519.37103	0.4
520.29706	0.4
646.70673	0.3
704.14917	0.3
747.42822	100.0
748.43164	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	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61519	0.4
53.03957	0.6
55.05512	1.3
57.03429	2.1
57.07087	0.5
61.02923	5.6
66.29231	0.4
67.05500	4.3
68.79539	0.4
69.03423	3.5
69.07065	0.7
71.05006	0.7
71.64545	0.4
71.64907	0.5
73.02909	3.9
79.05486	3.3
81.03419	3.9
81.07055	4.7
83.08611	1.3
85.02900	7.7
91.03952	4.2
91.05463	3.2
93.07043	3.3
95.04971	1.5
95.08613	3.2
97.02884	4.7
97.06516	0.5
99.04456	0.9
101.02363	2.8
105.07023	2.4
107.04969	0.6
107.08585	2.0
109.02886	1.0
109.10171	0.8
115.03903	0.5
119.08585	2.3
121.10142	1.1
123.04446	1.2
123.08068	0.4
127.03925	1.5
129.06978	0.6
131.08586	1.0
133.10133	1.4
135.11694	1.0
145.05185	0.4
147.08041	0.5
147.11723	0.7
149.13255	0.6
157.10121	1.0
163.07515	0.5
175.11270	0.9
185.04320	1.2
193.12299	1.2
203.05286	0.7
211.13266	0.6
243.08394	2.2
251.12602	1.3
261.22147	0.5
267.16147	0.5
285.11261	0.8
307.15277	0.5
339.15912	0.9
469.20413	8.4
519.29205	4.5
747.42841	100.0
748.43158	2.3
771.33960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
54.51001	0.5
55.01864	1.2
55.05497	1.4
57.03419	1.5
58.66162	0.5
60.72439	0.6
65.03919	2.0
67.05486	0.7
69.03426	8.3
70.06586	3.3
71.04969	2.1
71.61369	0.9
72.08131	1.6
73.02903	3.5
77.03929	0.6
79.05481	5.4
80.05006	1.1
81.02969	0.9
81.03410	10.0
81.05760	1.0
81.07037	0.5
82.06536	0.6
83.04971	1.8
84.08118	1.6
84.90896	0.5
85.02898	16.3
87.04475	0.9
91.05450	0.7
92.04996	3.5
94.06536	1.0
95.04955	1.5
96.04491	0.5
96.08108	4.7
97.00102	0.5
97.02879	11.4
97.06447	0.5
98.06052	0.6
98.87860	0.5
99.03827	0.8
99.04446	14.4
100.69122	0.4
103.03930	4.9
106.06544	28.9
108.08105	23.5
109.02869	18.4
109.05252	0.7
110.06020	0.7
112.07596	2.0
115.03937	1.3
119.04978	0.9
123.06812	3.7
124.07581	25.7
125.02338	0.8
126.05489	0.6
127.03904	100.0
128.04202	0.9
134.06003	33.7
136.07568	10.8
137.08363	1.2
138.05478	2.9
138.96208	0.5
139.03944	0.5
140.07034	1.1
145.04945	4.4
147.04379	3.0
147.06807	0.7
148.07571	1.7
150.05473	0.6
151.03889	0.7
152.07051	89.7
153.07768	1.6
154.08630	1.0
156.14633	0.5
157.04956	1.0
160.07547	0.9
162.05452	0.5
162.09100	0.6
163.06030	0.7
164.07040	1.5
167.07111	0.8
169.05049	0.6
170.08112	39.8
172.07518	0.6
172.11235	0.7
174.09160	1.9
176.07071	1.0
177.05428	1.0
186.09180	0.7
187.06004	1.9
188.10721	1.5
194.08104	1.6
199.06012	0.6
201.00661	0.6
205.07047	0.6
206.08081	0.7
214.08650	1.5
216.10249	0.9
218.08156	1.0
218.11604	0.7
229.06865	0.6
232.09743	0.8
234.11320	1.0
242.08192	1.7
253.07149	1.6
260.09256	1.0
271.08179	2.5
276.12433	0.7
278.10226	1.0
288.14142	0.6
289.09195	1.2
291.54034	0.5
296.11340	2.2
314.12387	2.3
332.13409	1.8
378.15729	0.9
396.16528	2.7
398.14560	0.9
404.13373	0.9
414.17624	1.5
415.12958	0.6
416.15652	1.2
422.14581	0.9
433.13669	0.8
440.15570	1.2
445.23450	1.4
458.16559	0.7
513.39911	0.5
566.18854	1.0
584.19556	2.4
588.32507	0.7
602.20831	9.6
620.21814	35.9
621.22125	0.7
728.23694	3.5
746.24872	68.4
747.25012	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	745.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01867	7.5
55.05505	13.7
57.03428	3.3
57.07070	3.6
60.91877	0.9
65.03931	1.5
67.05497	24.8
69.03415	2.1
69.07059	24.3
69.07443	0.9
71.01347	34.0
71.04982	1.3
71.08620	1.1
73.02915	4.0
75.04473	11.5
77.03931	1.6
79.05488	11.1
80.01202	0.8
81.03413	1.0
81.07046	47.8
83.04962	1.5
83.08611	13.7
85.02896	50.9
86.09682	1.0
87.04488	0.8
91.05461	11.9
93.07030	33.7
94.64995	0.7
95.01311	8.2
95.04956	1.9
95.08597	100.0
97.02895	2.5
97.06535	1.3
97.10144	7.9
99.00805	1.1
99.04452	3.0
101.02367	67.8
103.03942	2.0
105.06282	1.1
105.07016	33.7
107.08585	58.4
109.02847	0.8
109.06533	1.9
109.10146	80.6
110.10485	0.9
111.08067	2.2
111.11724	6.9
113.02352	3.9
117.07007	2.7
119.08568	51.7
121.10133	56.6
122.10502	0.8
123.11694	34.7
127.03897	17.3
127.04782	1.2
131.03386	4.3
131.08553	8.2
133.10117	47.8
134.10509	0.8
135.11678	44.0
137.13245	11.2
141.01822	16.1
143.08572	2.4
144.09319	1.0
145.04944	80.7
145.10107	14.8
147.04416	1.5
147.11673	38.6
149.13251	26.3
151.07582	0.8
151.11160	1.3
151.14798	3.2
153.59698	0.8
155.65558	0.8
157.10132	3.3
158.10831	1.1
159.02876	2.5
159.11674	18.9
160.12480	1.2
161.13240	37.9
163.14798	27.8
165.16422	0.8
171.11699	2.4
173.13249	12.8
175.14810	28.5
177.16374	34.9
179.14285	1.1
179.17934	4.8
181.04881	0.9
185.13301	2.3
187.14799	18.5
187.16409	1.4
189.16360	70.8
190.16794	1.1
191.17931	67.0
193.19495	0.9
199.14789	2.5
201.16362	19.7
203.17929	40.4
205.19482	19.8
207.17409	10.6
210.91272	0.9
213.16365	3.4
215.17934	20.3
215.19905	1.5
217.19496	49.1
219.17563	1.2
219.21082	6.8
221.19040	2.8
227.17969	3.6
229.19487	21.1
229.53947	1.3
230.19954	0.8
231.21069	9.7
241.19536	3.2
243.21083	9.4
245.22658	9.1
255.20985	4.2
257.22589	10.4
259.24298	1.0
269.22552	7.9
271.24149	11.2
283.24158	2.6
285.25757	3.2
287.48102	1.0
297.25751	11.3
299.27356	1.3
311.27313	3.0
315.26785	1.1
323.27298	2.2
325.07248	1.2
337.28839	1.7
350.07864	1.3
351.30545	1.7
365.10025	5.6
365.31952	2.9
377.32623	0.9
383.20505	5.2
407.36673	90.0
408.36801	4.3
421.16440	8.7
422.16733	1.3
425.37772	22.8
426.38364	1.1
437.15927	1.1
461.32263	1.2
479.33694	1.0
491.30109	1.6
601.40875	7.8
646.79834	0.8
745.37982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01860	5.4
55.05503	11.0
57.03421	3.1
57.07062	4.3
61.02915	5.0
65.03938	1.7
67.05502	25.5
69.03423	3.3
69.07061	24.8
71.01347	34.2
71.04980	2.6
71.08631	1.8
71.62292	1.9
73.02905	5.2
75.04469	8.6
79.05491	13.1
81.03420	1.2
81.07050	46.6
83.04994	1.3
83.08604	14.6
83.86586	1.1
85.02897	52.9
91.03952	3.5
91.05474	13.6
93.07034	31.1
95.01316	6.5
95.04961	1.3
95.08596	100.0
95.52940	1.0
97.02871	7.8
97.06533	2.0
97.10168	8.3
99.00829	2.0
99.04440	3.4
101.02370	60.9
103.03916	3.1
105.07021	35.9
105.71048	1.3
107.08583	57.7
109.02882	1.7
109.06490	1.4
109.10146	76.2
111.08066	2.1
111.11701	6.2
112.96310	1.0
113.02377	4.4
117.07004	3.1
119.08569	58.2
120.84281	1.0
121.10131	49.7
123.08077	1.6
123.11695	33.5
127.03907	19.3
129.07030	1.3
131.03368	4.0
131.08527	6.6
133.10118	43.3
135.08025	1.7
135.11673	45.1
137.05910	1.8
137.13239	11.8
141.01811	11.9
143.08598	2.3
145.04948	75.4
145.08932	1.6
145.10080	14.7
147.11670	37.4
149.13246	26.5
149.14163	0.6
151.14784	3.1
157.10168	2.6
159.02879	3.6
159.11681	20.8
161.13242	40.5
163.05902	1.5
163.14806	24.7
165.16415	1.2
167.06961	2.3
167.14197	1.1
171.11697	2.8
173.13216	12.5
175.14809	28.8
177.16376	39.0
179.17917	5.6
185.13181	2.7
187.14792	18.2
189.16364	71.6
191.17932	64.0
193.19447	1.2
199.14807	2.7
201.16359	21.4
203.16016	1.7
203.17938	42.4
205.19511	17.6
207.17413	6.9
213.16333	2.8
215.17955	18.6
217.19499	46.8
219.21066	5.0
221.18970	3.2
227.17932	3.4
229.19492	20.6
231.21016	9.8
241.19466	3.1
243.21056	10.1
245.22650	7.2
255.21037	3.4
257.22604	10.1
259.24063	1.6
269.22629	7.8
271.24182	11.9
283.24069	3.6
285.25735	3.1
297.25650	10.6
311.27277	2.7
321.07794	1.4
337.29129	1.5
339.08627	2.2
351.30524	2.3
365.10059	2.7
365.31998	4.0
383.20581	3.9
393.13443	2.8
407.36670	83.3
408.37061	3.5
411.14413	6.9
425.37759	15.4
461.32245	2.2
479.33881	3.3
497.21817	1.5
601.41077	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	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.05499	1.1
57.03428	1.7
59.35538	0.4
61.02929	4.4
67.05510	6.5
69.03431	5.1
69.07056	1.2
70.22897	1.3
70.23306	0.8
71.04984	0.9
73.02909	4.1
79.05502	4.4
81.03418	1.8
81.07053	5.8
83.08633	1.1
85.02902	5.3
91.03964	3.7
91.05486	2.3
93.07040	5.5
95.04960	0.5
95.08617	5.0
97.02878	4.6
97.06496	0.6
99.04478	1.0
101.02365	1.7
103.03994	0.5
105.07034	1.5
107.04945	0.6
107.08599	2.8
109.10141	1.5
115.42355	0.6
117.07008	0.6
119.08594	1.4
121.10158	1.3
127.03911	1.8
131.08565	0.6
135.11699	2.1
145.10172	1.1
147.11780	0.6
163.11197	2.3
185.04176	0.5
196.96481	0.6
197.47466	0.6
202.49567	0.5
227.12810	1.2
243.08356	2.8
249.10968	13.2
259.08395	0.5
305.13623	1.3
335.25812	1.4
342.74756	0.5
467.18869	5.5
519.29309	8.2
548.39844	0.9
609.33411	0.5
745.41315	100.0
746.41620	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	745.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
57.03431	1.8
61.02922	6.4
67.05502	4.6
69.03442	3.0
69.07072	1.3
70.21244	1.6
70.21659	0.9
73.02902	5.0
74.31197	0.6
79.05489	3.9
81.03403	2.0
81.07047	4.8
83.04975	0.7
83.08631	1.0
85.02906	5.7
85.62506	0.6
87.04491	0.6
88.06442	0.5
91.03959	3.5
91.05479	2.7
93.07043	4.8
95.04984	0.9
95.08604	3.7
97.02877	4.8
99.04437	1.0
101.02380	2.2
103.03963	1.0
105.07047	1.9
107.04986	0.6
107.08582	1.9
109.02892	0.8
109.10155	1.2
119.08598	1.5
119.55943	0.5
121.10155	1.7
124.66920	0.5
127.03908	1.8
131.08592	1.1
133.10112	0.9
135.11705	1.6
145.10149	1.3
147.11879	0.6
152.87236	0.5
163.11162	1.0
185.04222	0.7
243.08438	1.9
249.10753	0.6
257.00076	0.7
267.69290	0.6
335.25781	0.6
338.24991	0.6
467.19107	3.5
519.29224	7.1
559.13049	0.6
745.41266	100.0
746.41345	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	745.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01833	0.8
55.05476	0.8
55.33673	0.2
57.03439	1.4
57.07037	0.2
59.86714	0.2
61.02912	1.2
61.04314	0.2
67.05503	1.4
68.99793	1.2
69.03426	9.1
69.07075	1.1
69.07357	0.2
69.51579	1.1
69.51986	0.7
71.04993	1.1
72.08120	0.4
73.02912	1.9
79.05442	0.6
79.97061	0.2
81.03413	7.4
81.07050	1.9
83.01302	0.3
83.04966	0.5
83.08581	0.4
85.02900	11.5
85.06512	0.5
86.03204	0.2
87.00821	3.1
87.04437	0.4
89.03869	0.6
91.03932	0.3
91.05470	1.1
93.06997	1.0
95.04931	0.5
95.08615	1.6
97.02895	4.5
97.06488	0.3
98.20738	0.5
99.04454	2.5
99.08070	0.4
101.02336	0.3
103.03889	1.1
105.01848	1.4
105.03304	0.3
105.06989	0.9
106.04148	0.3
107.04912	0.3
107.08544	0.7
109.02876	5.6
109.06436	0.4
109.10139	1.2
111.04359	0.2
115.03950	0.3
115.05402	0.4
117.01814	0.3
117.03326	0.8
117.06981	0.3
119.04910	0.4
119.08527	0.8
121.06489	0.3
121.10075	0.8
123.08051	0.3
123.11689	0.3
125.05956	0.3
127.03908	8.1
129.01842	1.1
129.06920	0.5
131.04904	0.3
131.08577	0.4
133.06456	0.3
133.10091	0.5
134.03632	4.2
135.07950	0.4
137.05963	1.2
139.07510	0.3
141.01845	0.4
143.08513	0.3
145.04980	1.7
145.06075	0.3
145.10043	0.3
147.02946	0.3
147.04347	0.8
147.11655	0.4
149.05959	0.3
149.13208	0.3
151.03853	0.8
151.07498	0.8
152.07712	0.3
153.05446	0.4
155.35991	0.2
157.06509	0.5
159.02901	1.8
159.07945	0.4
159.11755	0.4
161.05888	0.2
161.09558	0.2
161.13147	0.4
163.03891	0.3
165.05399	0.3
167.07039	2.2
167.88004	0.2
168.07399	0.4
169.06447	0.5
171.04320	0.4
173.13208	0.2
175.07587	0.4
177.05379	0.3
177.09120	0.3
181.06496	0.3
185.05908	0.9
187.05942	0.4
187.07463	0.3
189.05408	2.1
191.10634	0.7
195.02837	0.4
202.07765	0.5
203.06905	0.4
205.12154	0.3
209.06009	0.3
212.04713	0.4
213.05424	1.1
217.10147	0.8
217.12119	0.3
219.07945	0.7
224.13106	0.2
230.05710	0.6
231.06493	0.7
233.09622	0.5
234.10286	0.3
245.09630	2.2
247.07520	1.0
253.04924	0.5
261.09076	1.2
262.09927	1.4
272.08240	0.3
273.09045	2.3
274.09720	0.3
275.06989	1.3
275.10587	0.2
277.08783	0.4
289.08530	2.0
290.09283	2.5
291.10144	0.4
292.07242	0.5
293.08069	0.9
294.05234	0.3
295.05960	0.6
298.04901	0.4
299.05273	0.5
300.07742	0.4
301.08609	2.7
302.09204	0.5
303.06522	0.6
303.10022	0.4
305.08331	0.4
305.11688	1.3
307.06113	0.6
307.09619	1.2
308.09961	0.2
309.07590	0.6
310.04709	7.0
311.05182	0.3
313.06982	0.7
315.10260	0.2
317.08105	1.2
318.08841	5.9
319.09509	0.8
320.06848	0.4
321.04218	0.3
321.07559	1.0
322.04651	1.1
322.08337	1.3
323.05380	0.6
323.09079	0.6
324.06198	0.6
325.07040	19.4
326.07352	0.8
327.08533	0.9
328.07123	0.5
329.08099	2.9
330.08652	0.4
331.05774	0.3
331.09564	0.7
332.10458	0.3
333.07501	0.5
333.11194	8.4
334.11508	0.5
335.05548	0.5
335.09119	1.0
336.06195	0.5
336.09882	1.4
337.06964	2.0
337.10699	2.3
339.08441	1.1
343.09604	0.8
345.07550	2.3
345.11221	0.6
346.08331	15.6
347.08954	0.9
349.07080	1.0
349.10754	0.7
350.07626	0.6
351.08600	0.8
351.12408	0.3
353.10071	0.3
357.09741	0.3
359.09137	0.8
361.10687	40.1
362.11105	1.3
363.08502	2.3
363.12396	0.3
364.09396	14.9
365.10043	2.6
367.07690	0.3
367.11752	3.9
374.11539	0.3
375.11948	0.3
377.10336	0.8
378.10922	0.4
379.11737	100.0
380.12076	3.4
391.12027	0.4
393.13193	1.2
397.12863	1.1
403.11728	1.0
411.14343	1.7
421.12265	2.4
421.17456	0.4
422.62454	0.3
425.15903	1.3
425.30634	0.3
435.18216	0.4
439.17603	0.7
443.31638	0.8
445.12488	0.3
451.17624	0.3
461.32578	0.9
479.20648	50.8
480.20856	1.7
497.21671	0.7
521.21619	0.5
527.15332	0.6
541.16931	3.1
547.19843	0.3
565.21295	0.2
573.12390	0.5
583.17908	7.1
609.15875	1.1
627.17072	21.9
628.17444	0.7
629.21698	0.6
641.25824	5.8
642.26971	0.3
645.17859	0.3
673.21008	1.2
683.26984	3.8
709.24939	2.7
713.88220	0.3
727.25916	21.1
728.26117	0.9
745.26794	0.8
745.40985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.0
55.01820	0.8
55.05470	0.5
57.03390	1.2
61.02864	2.3
61.15533	0.4
67.05455	0.9
69.03419	6.6
69.07025	0.7
70.91494	0.7
70.91834	1.0
71.04948	0.6
73.02879	0.9
81.03408	2.7
81.07005	1.4
83.08577	0.5
85.02895	15.5
87.04418	0.5
91.03973	0.5
93.07016	0.7
95.08570	1.0
97.02879	6.4
99.04391	1.4
103.03870	0.6
105.06997	0.6
107.04885	0.4
107.08490	0.5
109.02809	1.9
109.10141	0.7
111.51894	0.4
113.81414	0.4
117.03329	0.6
117.06958	0.8
119.04884	0.5
120.26215	0.4
121.10085	0.6
123.04366	0.9
127.03918	3.1
131.08554	0.6
135.04350	0.7
137.02271	0.7
137.05911	1.0
137.47806	0.4
145.04895	1.4
147.04309	0.8
159.08012	0.6
167.07025	0.9
185.06012	1.0
189.05402	2.1
202.07689	0.5
207.11555	0.4
213.05380	2.2
217.10089	1.2
225.05377	0.5
230.07294	0.5
231.06456	0.9
235.10925	0.5
237.09021	0.5
237.94400	0.4
245.09624	3.5
248.08186	1.1
249.09265	0.4
263.10623	0.8
273.08990	1.4
275.06973	1.1
291.10049	2.3
295.06021	0.7
299.05597	0.5
301.08594	1.3
305.08102	0.5
308.06705	0.6
311.05508	10.5
319.06070	0.9
319.09595	10.3
323.05411	1.9
323.09094	2.0
329.07751	1.1
337.07007	0.6
337.10605	0.7
346.08087	0.8
347.09113	46.0
348.09543	1.3
349.06827	0.9
350.07788	2.0
353.10098	0.6
364.09454	0.8
365.10165	100.0
366.10635	2.8
389.10052	0.9
404.12323	0.5
407.11325	2.4
421.16412	78.2
422.16794	2.8
461.32852	0.7
479.33817	0.6
527.15283	3.0
583.21710	75.0
584.22083	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	744.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.15436	0.8
55.01872	1.0
55.05510	9.6
57.03436	5.8
57.07067	1.8
59.04997	2.8
61.02925	2.3
65.03934	1.9
67.05502	78.0
68.05840	0.9
69.03431	2.6
69.07066	12.2
71.04990	17.5
79.05489	29.1
79.05959	1.4
81.03429	2.5
81.07054	33.8
83.04969	3.5
83.08614	7.3
85.02910	3.0
85.06541	3.7
91.03922	1.0
91.05476	18.1
93.07038	34.9
95.04961	5.5
95.08604	24.8
97.02867	1.4
97.06503	2.2
97.10169	2.1
99.08091	1.7
101.28966	0.9
105.07018	7.9
107.08588	19.1
109.06521	1.4
109.10150	55.3
111.08069	4.3
117.07030	4.6
119.08575	16.6
121.10141	14.7
123.08021	1.1
123.11718	2.3
126.65546	0.8
127.03848	1.1
131.08575	4.3
133.10126	7.4
135.11685	13.5
137.09605	8.9
138.37251	0.9
143.08409	0.8
145.10110	4.9
147.11674	3.8
149.09537	0.9
149.13246	3.5
155.10664	3.1
159.11725	3.1
161.13208	2.3
163.11185	3.5
163.14755	1.1
171.11685	0.9
173.11749	8.2
173.13208	1.9
175.14859	1.4
181.12299	1.5
185.13239	1.3
187.14880	2.1
226.55576	1.0
232.07532	0.8
243.15854	1.4
255.15970	4.0
261.22141	3.0
285.16913	1.0
287.18515	18.6
300.29514	1.0
317.24680	1.0
335.25790	29.4
379.29364	1.1
423.33136	1.3
471.34485	3.3
471.74884	1.0
489.35742	100.0
490.35986	5.0
503.37466	1.5
515.37317	11.2
547.39941	80.9
548.40253	4.1
745.41156	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	743.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03141	0.1
53.00305	0.1
53.03931	0.2
55.01862	0.2
57.03415	0.2
61.02917	0.1
65.03925	0.1
66.04705	0.1
67.05476	0.2
68.48390	0.1
68.99785	0.1
69.03430	0.7
69.07046	0.1
70.06575	0.1
70.26557	0.2
70.26949	0.2
71.04972	0.2
72.08134	0.1
73.02876	0.1
78.04712	1.4
78.24866	0.1
79.05479	1.2
81.03420	0.5
81.07030	0.4
83.04971	0.2
85.02890	1.1
91.05468	0.9
93.03403	0.2
93.07035	0.7
94.04185	0.1
95.04966	1.0
95.08581	0.2
96.05730	0.2
97.02868	0.4
97.06557	0.1
98.21402	0.1
99.04429	0.1
103.05453	0.6
105.03379	0.1
105.06372	0.1
105.07026	1.6
106.04173	0.7
107.04945	1.9
107.08574	0.2
109.02888	0.4
109.06526	0.2
109.10139	0.2
110.03645	0.1
111.04440	0.1
111.08028	0.2
115.05434	0.3
117.06989	0.1
118.04162	0.1
119.04933	0.4
119.08563	0.2
121.02859	0.2
121.06506	0.9
121.10119	0.1
122.03636	0.3
123.04422	3.8
124.03893	0.1
124.05208	1.6
125.06010	0.2
127.03916	0.7
128.06194	0.2
129.06969	0.5
131.04907	0.4
131.08571	0.1
132.05704	0.2
133.06499	1.2
133.10133	0.2
134.03612	0.4
135.04384	0.3
135.08105	0.1
137.02310	0.1
137.05960	0.6
139.07556	0.1
140.04666	0.1
145.02892	0.1
145.05022	0.1
145.06467	0.2
145.10072	0.1
147.04388	0.5
147.08031	0.2
149.05988	1.1
151.03896	0.8
151.07512	0.1
152.04663	1.3
153.05380	0.3
155.07016	0.2
159.08003	0.5
160.05232	0.1
161.05983	1.5
161.09621	0.2
163.03851	0.1
163.07542	0.2
165.09099	0.1
166.06252	0.3
167.07024	100.0
168.07364	1.3
171.08159	0.1
172.05185	0.2
173.05904	0.2
173.13364	0.1
174.06694	0.1
175.03979	0.1
175.07536	1.1
176.04576	0.2
177.05499	0.4
178.06197	0.1
178.07803	0.1
179.07025	0.6
180.07800	0.1
181.08597	1.5
184.05284	0.1
187.07515	1.8
189.07420	0.1
189.09073	0.5
190.07756	0.1
191.06981	1.0
191.08540	0.1
193.08591	4.2
195.06413	0.1
199.07494	0.8
201.05511	0.1
202.07826	0.1
203.08556	0.3
205.08563	0.1
206.07262	0.2
207.06500	0.4
209.08003	0.2
211.09639	5.2
212.12842	0.1
215.08635	0.1
217.06572	0.1
217.08554	0.2
218.07294	0.2
219.08020	0.2
220.08865	0.1
221.09608	0.3
223.09666	0.1
227.73712	0.1
231.08054	0.2
233.09627	0.3
234.06700	0.2
235.07460	0.2
245.36632	0.1
246.06761	0.1
247.07581	0.1
249.09152	0.6
250.09973	0.1
251.07047	0.1
255.06445	0.8
256.06866	0.7
257.07068	0.1
259.07513	0.1
260.08124	0.1
261.08957	0.4
263.06992	0.2
266.09326	0.2
271.05954	0.1
275.06979	0.2
277.08548	0.4
278.09378	0.2
279.10019	0.1
281.11771	0.8
289.08505	0.4
291.06525	0.1
291.10031	0.1
293.11752	0.2
294.08862	0.1
295.09845	0.1
301.07382	0.1
305.08005	0.1
306.08643	0.1
307.09451	0.2
309.11185	0.9
309.61505	0.1
311.09152	0.1
321.11102	0.8
322.11792	0.1
326.11337	0.1
337.06967	0.1
339.08594	0.1
341.13806	4.2
342.14215	0.1
348.06238	0.2
353.13791	2.2
353.18182	0.1
363.08685	0.5
367.15427	0.2
371.15042	0.2
379.15518	0.3
477.32343	0.2
495.32974	0.1
525.13940	0.1
581.19940	0.3
743.29724	0.1
743.42432	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	743.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03698	0.2
53.03936	2.0
55.01857	0.5
55.05497	0.8
57.03431	1.3
59.04981	0.4
61.02922	0.9
65.54908	0.1
67.05487	0.6
68.40398	0.1
69.03423	7.0
70.06567	0.4
71.01274	0.6
71.04986	1.9
72.08141	0.4
73.02910	2.9
75.04478	0.3
79.05478	0.3
81.03411	8.4
82.44292	0.1
83.00792	0.1
83.01310	0.3
83.04971	2.3
83.17099	0.1
84.08137	0.2
85.02896	15.1
85.06519	0.2
85.58277	0.1
87.04465	0.8
89.06010	0.2
91.05437	0.2
91.73708	0.1
95.01300	0.2
95.04971	2.6
97.02884	8.7
97.06513	0.2
99.04445	14.2
101.02380	0.3
103.03933	7.7
107.04926	0.4
109.02869	18.0
109.06534	0.2
110.03671	0.3
111.04432	0.9
113.05997	2.3
115.03921	0.7
119.04939	0.2
121.02846	0.3
123.04423	0.6
125.02339	0.6
127.03904	100.0
128.04242	0.5
129.05450	0.2
131.07030	1.9
133.06450	0.2
135.04425	0.2
137.02350	0.6
137.05984	0.2
139.03839	0.4
145.04947	9.4
147.04419	0.9
149.05963	0.3
149.08081	0.7
151.03885	0.3
153.01842	0.3
157.04950	0.4
159.06544	0.6
161.05980	0.3
163.03896	0.4
163.06010	1.8
163.07405	0.2
167.07062	0.2
167.09148	0.5
168.06512	0.1
169.04942	1.2
175.03955	0.2
177.05460	0.4
181.04961	0.3
186.60323	0.2
187.06015	4.0
187.07681	0.3
189.05441	0.2
193.04970	0.4
199.06039	0.5
205.05209	0.3
205.07068	1.6
207.03128	0.2
207.06406	0.4
209.08015	0.8
211.05986	0.4
217.04836	0.2
227.09134	0.2
229.07098	1.0
235.05995	1.0
239.09274	0.2
245.10092	0.4
247.08142	0.3
247.71172	0.2
253.07062	2.6
257.10172	0.7
271.08118	6.7
273.07651	0.2
275.11304	0.3
287.05487	0.3
289.09167	3.5
307.10251	0.7
310.04810	0.2
311.05389	1.3
313.09305	0.4
323.05405	0.6
324.06238	0.3
325.07309	0.2
331.10275	0.6
335.13562	1.0
336.06055	0.2
337.07086	0.7
339.08804	0.2
341.06461	1.3
348.06064	0.2
349.07281	0.2
349.11243	0.6
351.08746	0.4
353.06573	1.4
353.14276	0.4
355.09372	0.2
361.06833	0.2
365.06531	0.9
367.08133	0.3
377.06595	0.3
379.08212	0.3
379.10147	0.2
382.30710	0.2
389.06464	0.3
391.07800	0.2
395.07614	1.0
397.11337	1.3
401.14413	0.5
407.07443	1.5
415.12308	3.6
419.15607	0.5
425.08566	0.6
431.07245	0.3
433.13376	2.3
443.09885	0.3
449.08591	0.2
451.14407	0.7
473.09622	0.2
497.10532	0.2
527.11615	0.6
541.16010	0.2
545.19202	0.3
557.12585	0.3
563.19873	0.3
577.17700	0.4
581.20819	0.2
587.14227	0.9
605.14941	1.9
659.15631	0.4
689.16968	1.0
707.17914	0.4
725.19641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
54.25370	0.1
55.01838	0.6
55.05473	0.5
56.25760	0.2
57.03439	1.2
59.04977	0.3
61.02918	1.7
62.96982	0.1
65.09423	0.2
67.05500	1.5
69.03425	5.9
69.07025	0.5
69.28577	1.7
70.06542	0.2
71.01316	0.2
71.04991	0.9
73.02910	1.1
79.05489	0.7
81.03416	2.4
81.07056	1.8
81.36812	0.1
83.01320	0.2
83.04939	0.5
83.08564	0.5
84.08130	0.2
85.02898	7.4
85.06503	0.5
86.09688	0.2
87.04447	1.0
91.03910	0.4
91.05483	0.8
93.07032	1.0
95.04965	0.8
95.08566	0.6
97.02891	3.5
97.06522	0.4
99.04478	0.7
101.02334	0.6
103.03896	0.3
103.05417	0.2
105.07036	0.8
107.04949	0.7
107.08603	0.7
109.02884	1.5
109.06468	0.6
109.10139	1.1
111.04405	0.3
111.07996	0.2
115.03854	0.3
117.06966	0.3
119.04871	0.3
119.08549	0.6
121.02838	0.3
121.06451	0.4
121.10106	0.4
123.04413	1.1
123.07964	0.2
123.11639	0.2
125.09618	0.3
127.03049	0.2
127.03910	2.3
129.06963	0.3
131.04886	0.3
131.08511	0.3
133.02800	0.2
133.06424	0.2
133.10089	0.5
135.04366	0.5
135.08023	0.2
135.11652	0.4
137.02344	1.9
137.05931	0.6
137.09619	0.2
137.60223	0.2
143.04930	0.2
143.08528	0.3
145.04968	0.3
145.06488	0.3
145.10078	0.3
147.04335	0.7
147.11655	0.3
149.02304	0.6
149.05899	0.3
149.09586	0.2
151.03870	1.2
151.07487	0.2
153.05424	0.4
153.06833	0.2
155.08528	0.4
157.06503	0.2
157.10037	0.2
159.04356	0.5
159.11670	0.2
161.02251	0.3
161.05954	0.4
163.07498	0.2
163.11108	0.3
165.05412	0.2
165.06892	0.2
165.09155	0.2
167.07037	1.6
169.06485	0.3
169.09924	0.2
171.08049	0.5
171.11642	0.2
173.05923	0.3
173.11691	0.2
173.13170	0.2
175.03952	0.2
175.07512	0.3
175.11110	0.2
177.16275	0.1
179.03398	0.2
179.08482	0.2
180.09341	0.2
181.04884	0.2
181.06555	0.2
183.08015	0.2
185.05894	0.2
187.03885	0.3
187.07480	0.5
189.05469	0.5
189.09084	0.2
193.10091	0.4
195.11649	0.4
197.05974	0.2
198.06741	0.2
199.07576	0.4
201.05406	0.3
203.06967	0.2
208.08797	0.2
209.09567	0.3
211.07498	0.4
212.08331	0.2
213.05489	2.1
213.08948	0.1
215.06847	0.2
223.07637	0.2
223.11234	0.4
225.05382	0.5
225.09019	0.7
226.09937	0.2
231.06374	0.2
235.07533	0.2
237.09081	0.4
239.06956	0.4
239.10739	0.3
241.08417	0.2
241.12177	0.4
245.09630	0.3
247.07455	0.2
248.08205	0.2
249.09113	0.3
251.06900	0.3
253.04933	0.2
253.08609	0.4
255.10219	0.2
262.09900	0.2
265.08588	0.2
267.10083	1.1
271.06015	0.2
274.09668	0.2
275.10678	0.3
276.07944	0.2
277.08609	0.2
283.06067	0.2
287.10550	0.2
290.09338	0.2
291.10251	0.2
293.08051	0.3
293.11469	0.2
294.08731	0.2
302.09589	0.2
303.10153	0.6
305.08133	0.3
306.08679	0.3
307.05988	0.2
309.07489	0.2
311.05426	1.1
311.08664	0.2
312.11230	0.2
313.07095	0.2
315.10165	0.2
316.07187	0.2
319.09518	0.5
320.06830	0.2
321.07541	0.6
321.11084	0.3
323.05499	0.8
323.08914	0.2
324.06033	0.2
325.07120	0.8
327.13800	0.2
329.07990	0.2
329.11761	0.3
330.08786	0.2
330.12494	0.3
331.09741	1.0
333.07663	0.4
334.08282	0.6
335.05386	0.2
335.09064	1.5
337.07010	1.4
337.10809	0.5
339.08609	0.5
340.10785	0.3
341.07742	0.2
343.09567	0.6
344.10355	0.2
347.05768	0.2
347.09067	3.6
347.12976	0.3
348.09793	0.4
349.06955	0.4
349.10709	1.2
350.07764	0.5
351.08435	0.6
353.10080	0.7
357.07166	0.2
357.11108	0.6
358.11984	0.5
359.09106	2.7
359.13147	0.1
361.06873	0.5
361.10718	1.1
362.07651	0.4
363.08487	0.9
363.12051	0.3
364.09470	1.0
365.10168	7.1
371.08997	2.0
372.09692	0.4
373.10577	0.4
373.14401	0.6
375.08234	0.3
375.12503	0.8
376.09024	0.4
376.13428	0.2
377.10059	2.9
377.14059	0.3
378.10831	0.4
379.11838	0.9
383.12830	1.4
385.10583	0.9
386.11319	1.2
387.12280	0.5
389.09949	0.9
390.10452	0.3
391.11514	0.6
391.15897	1.5
393.13406	0.7
397.12732	0.5
401.13791	7.0
403.11606	1.2
404.12662	1.1
407.11099	0.2
411.14417	1.5
413.17957	0.5
417.13422	0.3
418.13995	1.3
419.14844	100.0
420.15204	4.0
441.30231	0.2
443.14734	0.4
447.14328	0.2
459.31125	0.5
461.15823	2.4
467.18826	0.8
477.19394	0.2
477.31912	0.6
495.20193	0.3
495.33096	0.3
563.19110	0.3
566.17523	0.2
581.20111	96.9
582.20544	3.7
639.29755	4.8
659.88263	0.2
743.25208	11.8
743.36737	0.4
744.25635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.7
55.01833	0.7
55.05470	0.9
57.03435	1.6
57.07038	0.2
59.04961	0.2
61.02922	1.3
61.35132	0.2
67.05500	1.5
67.94651	0.2
69.03423	5.4
69.07024	1.0
70.04410	0.4
70.04818	1.0
70.06549	0.5
71.01360	0.2
71.04949	0.9
73.02872	0.9
79.05482	1.2
81.03416	2.4
81.07047	2.5
83.04955	0.5
83.08585	0.5
84.08115	0.3
85.02900	7.5
85.06505	0.8
86.09666	0.4
87.00795	0.4
87.04459	1.1
91.03913	0.4
91.05424	0.7
93.07018	1.1
95.04907	0.7
95.08596	2.1
97.02287	0.2
97.02877	3.5
97.10133	0.3
99.04394	0.9
101.02342	0.4
103.03916	0.5
105.07005	1.2
107.04895	0.8
107.08543	1.0
109.02873	2.2
109.06479	0.8
109.10153	1.4
111.04391	0.7
111.08011	0.2
117.06954	0.3
119.04874	0.7
119.08538	0.6
120.08832	0.2
121.02883	0.4
121.10090	0.8
123.04369	0.8
123.07986	0.3
123.11684	0.3
125.05946	0.4
127.03915	2.9
129.06934	0.3
131.08528	0.5
133.02847	0.5
133.10062	0.7
135.04333	0.4
135.08089	0.5
135.11687	0.6
136.07765	0.2
137.02338	1.9
137.05898	0.5
137.13226	0.3
139.03809	0.2
143.08455	0.3
145.04890	0.5
145.10056	0.4
147.04355	0.9
147.11661	0.4
149.02330	0.3
149.05907	0.4
149.09575	0.3
149.13272	0.3
151.03879	1.5
151.07455	0.9
153.05461	0.4
155.08496	0.3
157.06516	0.4
157.10074	0.3
159.04373	0.5
159.07979	0.3
159.11638	0.4
161.02342	0.4
161.05960	0.4
163.03867	0.5
163.07460	0.2
165.05402	0.3
165.09024	0.5
167.07045	4.5
171.07990	0.5
173.09587	0.3
173.13213	0.3
175.14729	0.4
177.01727	0.2
177.05424	0.4
179.03242	0.4
181.10037	0.2
183.08002	0.3
187.07559	0.5
188.09587	0.2
189.05396	0.4
191.10628	0.3
193.08502	0.3
197.06010	0.4
199.07474	0.3
199.11084	0.4
201.12753	0.3
203.03581	0.3
211.07460	0.5
212.08217	0.3
213.05437	2.2
223.11180	0.4
225.05475	0.6
225.09059	0.7
241.12167	0.3
243.06740	0.3
245.09505	0.3
249.09138	0.4
253.08636	0.3
263.10638	0.4
265.08633	0.3
267.10141	1.0
281.13168	0.3
285.11417	0.3
295.05930	0.3
303.10104	0.5
305.07990	0.5
307.06052	0.2
309.04163	0.3
309.07660	0.4
310.04596	0.3
311.05414	0.9
312.11349	0.3
319.09531	0.5
321.07538	0.9
322.08170	0.3
323.05457	0.6
324.06375	0.3
325.06815	1.3
330.08844	0.3
331.09631	0.7
333.07434	0.4
333.11237	0.3
334.08264	0.7
335.09113	1.0
336.09882	0.4
337.07126	1.8
337.10730	0.4
339.08685	0.8
343.09601	0.6
345.14691	0.3
347.09140	3.5
348.09967	0.5
349.06863	0.5
349.10690	1.4
350.07684	0.5
351.08643	0.6
351.12494	0.4
353.10214	0.8
355.13257	0.3
357.07242	0.3
357.11288	0.5
359.09128	2.5
359.13019	0.4
361.06805	0.4
361.10751	1.1
362.07590	0.4
362.11688	0.3
363.08429	1.1
363.12399	0.5
363.16046	0.5
364.09363	0.8
365.10168	7.3
371.09122	2.0
372.09845	0.3
373.10440	0.5
373.14392	0.7
375.12277	0.9
377.09988	2.9
377.14035	0.3
379.11798	0.8
381.13339	0.4
383.12756	1.5
385.10745	0.9
386.11472	1.0
387.03943	0.3
387.12219	0.4
389.10126	1.0
391.11539	0.6
391.15903	1.4
393.13486	1.2
401.13834	7.6
403.11606	1.2
404.12372	1.1
411.14325	2.8
412.14944	0.3
418.14206	1.4
419.14859	100.0
420.15356	2.8
429.13275	0.3
439.13889	0.4
441.29654	0.3
443.14618	0.5
459.30927	0.9
461.16016	2.8
477.19009	0.7
477.31836	1.1
495.19885	1.1
495.33011	1.0
563.19000	0.2
581.20135	95.3
582.20465	2.5
743.25281	12.5
743.38141	0.6
744.25397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01863	2.2
55.05494	2.6
57.03166	1.9
57.03429	13.2
58.31531	1.2
61.02926	1.7
63.01801	1.1
67.01871	2.2
68.99791	2.9
69.03070	1.9
69.03426	31.4
69.33831	12.6
70.06593	3.5
71.01368	2.5
71.04990	70.1
72.08154	2.4
73.02924	6.6
75.04469	3.6
75.90186	1.1
79.05485	1.6
81.03423	9.6
81.07073	1.6
83.04979	13.2
84.08129	2.8
85.02897	100.0
86.09691	1.4
87.04452	3.5
89.03907	2.4
91.05481	4.2
93.03408	2.4
95.04958	5.6
96.08136	1.5
97.02891	10.9
97.06516	3.1
98.09686	1.5
99.04453	12.3
100.11269	2.3
103.03933	3.4
105.07030	1.8
107.04961	7.7
109.02861	13.6
109.06491	1.7
109.10191	1.3
111.00780	1.6
111.04446	12.8
115.05419	1.9
117.03378	3.1
117.05533	1.7
121.02847	6.2
121.06504	3.4
123.04461	10.2
124.11211	2.3
125.02335	2.5
125.05997	3.0
127.03905	57.0
129.05473	23.4
129.06981	1.5
131.73228	1.2
133.06430	2.2
133.10107	1.4
135.04410	22.0
137.02324	3.0
137.05978	4.0
138.05466	2.1
139.03888	3.2
145.02834	6.1
145.04944	5.7
145.06566	1.4
147.04446	5.8
147.06531	5.5
149.05972	3.1
151.03889	3.9
153.01817	32.1
153.05476	3.5
159.04457	2.1
161.02391	1.3
161.05984	2.7
161.99687	1.2
162.09103	1.4
163.03899	41.4
163.05992	1.9
163.07509	2.3
165.01840	10.6
167.07031	5.7
171.02884	21.4
171.04250	2.2
171.06479	1.5
173.05981	2.8
175.03874	2.8
177.01831	7.1
177.05443	4.0
179.03398	3.9
182.15556	1.2
183.02872	9.9
185.05925	1.8
187.03925	3.5
187.06006	2.4
187.07547	2.6
189.01843	5.2
189.05475	2.3
191.03362	14.2
191.06950	1.5
195.02878	66.3
197.06049	2.2
201.05495	3.8
203.03375	12.0
205.04918	2.0
206.04521	1.6
207.02870	9.1
207.06393	1.8
209.04431	2.1
213.03819	2.5
213.05632	2.1
215.03358	2.8
217.04977	3.7
219.02873	46.6
221.04431	6.3
223.02393	2.0
225.03981	2.7
229.04990	3.1
231.02827	9.1
233.04500	4.7
235.06108	1.4
237.03920	13.4
239.09213	2.3
241.04926	1.8
243.02795	3.6
245.04414	20.0
247.05994	2.3
249.03883	7.3
257.04459	4.4
259.05957	1.7
261.03912	25.1
263.05481	19.9
269.04446	6.0
271.05844	3.1
271.08417	1.5
273.03976	3.8
273.07437	2.6
275.05368	3.0
275.11212	1.5
275.13895	2.9
281.06534	5.4
283.06015	5.2
285.03986	8.7
285.07254	2.1
287.05472	26.2
288.05762	11.6
289.07028	56.2
291.04950	2.7
295.05771	1.4
297.07193	1.3
301.07104	9.2
303.05005	3.7
305.06625	8.3
311.05591	4.6
313.06961	11.7
323.07642	5.2
325.07068	5.1
327.05032	2.5
329.06546	6.3
331.08054	24.2
339.07474	4.2
341.06366	1.7
343.08060	2.1
347.07535	3.5
353.06500	3.7
355.08066	29.2
363.07205	2.3
367.08273	7.6
371.07300	2.0
373.09152	4.7
379.08234	2.3
381.09714	9.1
389.08820	3.3
391.10196	1.9
397.09125	8.5
399.10706	29.5
405.09534	2.2
407.09549	4.6
409.09485	2.2
411.10791	2.3
415.10190	2.9
417.11734	17.4
423.10837	10.0
425.10681	4.8
429.11679	4.7
433.11298	4.7
435.12936	16.0
439.10120	3.0
441.11978	8.8
445.11200	4.4
447.10675	1.5
451.12073	2.3
457.11292	2.4
459.12894	13.0
465.11481	2.5
475.12491	7.4
477.12619	1.4
483.12875	5.6
499.12271	1.7
509.14798	1.8
525.13965	4.0
527.15558	4.3
543.14838	6.0
559.57404	1.6
597.16901	2.7
736.78235	1.4
742.54877	3.4
743.30127	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
55.05507	11.0
57.03425	9.7
67.05499	33.5
69.03423	3.1
69.07055	8.3
69.50221	3.8
69.50626	17.8
70.79955	2.2
71.05003	3.0
79.05487	24.6
81.03413	39.7
81.07051	33.1
83.04958	8.1
83.08598	18.7
85.02898	14.8
86.09677	4.8
91.05472	20.6
93.07034	24.4
95.04967	15.3
95.08595	26.6
97.02870	3.1
97.10165	3.1
105.07021	18.3
107.04966	2.4
107.08598	14.4
109.10161	8.3
111.04438	2.8
111.08067	9.0
117.07024	2.8
119.08607	14.9
121.10147	15.1
123.04412	3.0
123.08030	3.0
123.11684	4.6
125.00026	3.6
125.22085	2.5
129.06985	6.3
131.08554	10.6
133.06429	2.7
133.10117	9.9
135.11702	7.8
145.10121	3.6
147.11652	12.8
149.13309	3.6
157.10130	9.9
159.11726	3.4
163.11179	3.9
165.12785	3.1
173.13234	2.7
175.11206	10.4
184.07352	16.3
193.12227	32.3
211.13280	45.4
261.22183	3.4
267.15878	9.8
285.16949	40.0
335.25827	48.8
337.26532	2.8
345.66864	2.8
347.30173	2.9
453.33871	2.9
475.77811	2.3
527.37201	10.4
545.38330	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	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.5
55.01868	1.3
55.05507	13.9
57.03437	12.0
57.07059	2.1
59.84544	1.0
61.02929	3.3
65.03938	2.0
67.05502	55.2
69.03405	1.5
69.07061	18.9
71.05006	4.0
73.37318	0.8
74.62894	0.7
79.05489	32.9
81.03433	1.4
81.07055	100.0
83.04984	6.1
83.08611	10.0
85.02928	3.4
85.06538	6.0
91.03989	1.9
91.05479	27.9
93.07041	34.3
93.07616	1.7
95.04964	4.4
95.08603	41.9
97.06517	7.1
97.10197	3.4
99.04427	0.8
99.08114	3.8
101.06058	1.6
105.03395	1.4
105.07027	36.3
107.08592	23.4
109.06521	4.6
109.10155	13.1
111.08080	2.0
113.51831	0.9
117.07029	2.1
119.08580	27.8
121.10137	31.1
123.08076	5.6
123.11710	29.3
127.07575	2.0
129.07025	1.0
130.71321	0.8
131.08551	8.2
133.10141	7.4
135.08087	1.1
135.11696	10.2
137.09650	1.7
137.13283	3.0
139.11179	1.1
141.09100	1.6
145.10107	4.6
147.11684	65.0
149.05963	1.3
149.13231	4.7
157.10179	2.6
159.11653	4.4
161.13301	3.0
163.14861	3.3
165.12753	24.6
165.14104	1.4
173.13332	3.8
175.11243	2.5
175.14861	0.9
183.13881	2.3
187.14879	2.4
193.12321	1.2
201.16479	0.9
229.14311	5.4
243.21056	4.4
259.40991	1.0
261.22177	17.9
261.24805	1.2
267.15912	62.8
279.23178	1.6
285.16956	87.5
286.17325	1.1
317.24792	2.9
335.25784	75.9
353.26770	4.3
471.34885	1.4
527.37360	6.5
545.38367	65.2
546.38892	1.4
563.39288	2.7
633.72601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
54.45694	0.6
55.01860	1.8
55.05508	11.4
55.05769	0.5
57.03439	10.4
57.07061	1.3
59.05033	0.6
61.02914	1.5
65.03946	1.5
67.05500	34.3
69.03416	2.4
69.07066	10.1
69.90227	4.2
71.04987	3.0
79.05488	26.6
81.03413	34.4
81.07050	38.2
83.04980	8.3
83.08612	14.6
85.02899	13.5
85.06509	2.5
91.05474	19.0
93.07037	28.0
95.04967	17.1
95.08604	28.7
97.02885	3.1
97.06535	2.6
97.10149	4.3
105.07027	14.1
105.07675	1.3
107.04930	3.0
107.08583	15.3
109.06502	3.2
109.10137	9.9
111.04460	1.7
111.08078	5.9
113.05992	1.1
115.05438	1.3
117.07005	2.4
119.08576	12.7
121.10135	15.2
123.08071	1.3
123.11702	3.1
125.09638	0.9
125.41947	0.8
129.06990	5.1
131.08562	8.8
133.06491	1.7
133.10123	9.3
135.11681	6.6
137.09610	1.2
137.13225	0.9
142.07793	1.6
145.10101	3.7
147.08054	2.4
147.11693	10.6
149.09628	3.6
149.13283	2.5
157.10110	8.1
159.11697	1.9
161.13255	1.7
163.11166	1.0
163.14880	1.2
164.11679	0.9
165.12769	2.1
175.11168	7.0
175.75208	0.7
187.14809	1.4
193.12227	26.0
211.11290	1.6
211.13281	28.1
211.15256	1.5
227.12802	1.9
243.21107	0.9
261.22101	3.6
267.15909	7.3
284.15787	1.2
285.16946	33.4
311.31918	0.7
317.24768	1.2
335.25775	61.5
336.26276	2.6
337.81622	0.9
355.17166	1.1
453.33701	0.9
499.21875	0.9
527.37219	7.5
545.38324	100.0
546.38824	3.4
709.03912	0.8
735.12244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01858	3.1
55.05260	1.9
55.05506	22.4
57.03184	1.7
57.03437	19.0
57.07067	1.3
59.04999	1.3
61.02923	5.5
65.03918	3.2
67.05502	59.4
69.03430	5.0
69.07067	14.8
69.99281	1.8
69.99702	3.1
71.04980	4.8
74.00080	0.8
79.05488	44.3
81.03416	60.8
81.07051	63.9
83.04974	17.4
83.08140	1.6
83.08610	23.9
85.02414	1.8
85.02898	25.2
85.06534	3.0
91.03942	3.0
91.05473	43.0
93.07039	46.4
95.04963	26.9
95.08599	36.6
97.02897	6.1
97.06514	5.1
97.10177	4.5
98.21472	1.6
99.08067	1.5
105.07025	27.7
107.04945	5.4
107.08587	22.0
109.06487	5.7
109.09433	1.3
109.10150	13.2
111.04427	2.8
111.08081	11.0
113.05983	2.6
115.05437	2.0
117.06997	3.8
119.04961	1.5
119.08572	23.8
121.06462	2.1
121.10136	20.8
123.08050	3.9
123.11723	6.2
125.09633	1.4
128.06252	1.1
129.07001	11.4
131.08557	18.3
133.06477	2.7
133.10123	16.6
135.11682	8.3
137.09628	1.5
137.13261	1.5
141.07027	0.9
142.07759	2.6
145.10138	6.2
147.08064	2.8
147.11667	17.7
149.09637	6.9
149.13252	4.8
157.10117	13.2
159.11671	4.1
161.13295	2.2
163.11320	1.0
163.14835	1.6
165.12788	3.1
169.10118	1.0
173.13251	3.6
175.11183	13.1
175.14729	0.9
193.10429	1.3
193.12231	40.2
211.13284	67.3
227.12697	1.5
243.21091	2.0
261.22144	11.5
267.15909	15.9
283.15472	1.0
285.16949	83.7
301.25186	1.4
317.24695	1.5
319.06107	1.0
335.25784	74.5
336.26392	1.9
391.93945	0.9
435.33081	1.9
453.33286	1.3
527.37268	11.4
545.38336	100.0
546.38770	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	742.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01865	2.3
55.05506	18.1
57.03434	15.5
57.07063	1.6
57.71622	0.5
59.04993	0.7
61.02919	4.4
65.03929	2.6
67.05500	54.1
69.03423	4.4
69.06714	1.3
69.07061	14.8
69.07442	0.7
69.42088	6.3
71.04978	5.1
72.83530	0.6
73.02898	1.0
77.03939	0.9
78.04678	0.6
79.05488	39.8
81.03414	42.7
81.07050	51.1
83.04972	12.2
83.08612	20.3
85.02897	18.4
85.06525	2.7
91.03976	1.2
91.05474	34.7
93.07038	40.2
95.04964	23.3
95.05434	0.4
95.08601	35.3
97.02888	4.5
97.06525	4.6
97.10162	4.5
99.04433	1.0
99.08089	1.5
100.42805	0.6
105.04531	0.9
105.07026	25.1
107.04951	4.8
107.08588	20.9
109.06501	4.9
109.10153	14.9
111.04441	1.7
111.08082	7.4
113.05996	2.2
113.69753	0.5
115.05408	1.3
116.98651	0.6
117.07006	4.8
119.08574	20.9
121.06490	1.7
121.10135	19.7
123.08049	2.7
123.11711	4.9
125.09628	1.7
129.07007	8.4
131.08557	14.1
133.06508	2.1
133.10123	10.8
135.08025	0.9
135.11674	8.5
137.09613	1.6
137.13237	1.0
142.07794	1.9
143.08560	1.4
145.10097	6.2
147.08044	2.5
147.11674	13.5
149.09618	4.1
149.13255	3.8
151.11145	1.0
157.10127	9.9
159.11716	3.7
161.13216	2.9
163.11192	1.5
163.14874	1.6
165.12779	2.2
169.10112	0.6
171.11737	0.8
173.13298	2.8
175.11183	10.2
175.14934	1.3
175.16345	0.6
187.14864	1.0
193.12230	29.3
194.12729	0.7
201.16365	0.6
211.13278	38.9
215.17844	0.6
227.12755	0.7
229.14227	0.7
243.20978	2.8
261.22110	8.7
267.15900	12.6
285.16940	51.3
301.25302	0.8
317.24762	2.3
325.62991	0.7
335.25775	76.1
336.26190	1.7
417.31485	1.0
435.27597	0.7
435.32837	1.7
453.33572	2.4
471.34824	0.9
527.37305	12.3
545.38336	100.0
546.38684	3.6
574.32410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.4
55.05481	0.4
57.03393	0.5
64.68160	0.3
67.05450	0.9
69.03418	3.3
69.07011	0.4
71.04929	1.0
71.61922	0.6
71.62296	0.5
73.02852	1.2
76.05354	0.4
79.05437	0.7
81.03406	4.8
81.07032	0.9
83.04930	0.4
85.02898	9.0
89.05953	0.4
91.05436	0.5
93.06998	0.6
95.08543	0.6
97.02879	5.0
97.06414	0.4
99.04451	6.4
103.03932	5.5
104.27885	0.4
105.06961	0.4
107.08435	0.4
109.02872	3.8
117.06878	0.5
127.03916	11.2
131.08487	0.6
133.10086	0.5
134.03546	1.6
145.04948	3.9
145.10132	0.4
147.04358	0.4
157.06375	0.5
162.35068	0.5
163.05934	0.7
170.42860	0.4
187.05928	1.1
189.05396	0.8
213.05382	0.5
231.06407	0.7
245.09570	1.4
262.09729	0.6
271.08047	0.8
273.09039	1.1
274.29468	0.3
277.07727	0.4
289.08679	0.8
290.09409	1.6
301.08514	1.0
305.11761	0.5
307.09818	0.5
310.04584	1.8
318.08829	3.1
319.09390	0.5
322.04483	0.6
322.08255	0.9
325.07028	4.1
327.47046	0.5
329.08160	1.8
333.11169	5.0
337.07126	0.9
337.10730	0.9
343.08850	0.4
345.07483	1.2
346.08304	8.6
347.09103	0.4
349.07050	0.6
361.10678	24.1
362.11163	0.9
364.09427	10.1
367.11630	0.8
379.11734	69.4
380.11993	2.0
435.18015	100.0
436.18188	3.7
475.88156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01869	1.0
55.05507	0.6
57.03432	1.2
57.07071	0.5
59.67478	0.5
61.02916	1.7
62.34975	0.4
62.90103	0.5
67.05487	1.2
68.99786	0.8
69.03426	9.6
69.07053	1.7
70.06590	1.0
71.04984	1.4
72.08154	0.8
73.02901	1.7
79.05490	1.7
81.03410	7.0
81.07050	5.3
83.04970	1.8
85.02901	12.2
87.00838	2.8
91.03966	0.7
91.05476	2.0
93.07050	1.6
95.04958	0.8
95.08604	2.0
97.02876	4.2
97.06535	1.3
98.21505	1.3
99.04429	3.1
101.06033	1.5
103.03944	1.0
105.01874	1.9
105.07029	1.3
107.08578	1.3
109.02859	5.9
109.06528	1.1
109.10146	1.1
118.83903	0.5
119.04943	0.9
119.08557	1.6
119.61906	0.5
121.02831	0.7
121.10089	0.8
123.08089	0.6
123.11729	0.6
127.03918	7.4
129.01788	0.6
131.08577	0.9
133.10095	1.1
134.03651	1.2
135.04428	0.6
135.08107	0.7
145.04944	1.3
147.04402	1.8
149.05949	0.9
151.03912	1.4
151.07535	1.4
159.02921	1.7
167.07059	2.8
177.05428	0.8
189.05536	0.6
191.10617	0.6
193.46307	0.6
213.05507	0.6
231.04893	1.0
245.09714	0.6
273.13025	0.8
275.06873	0.6
289.08627	0.8
291.10110	0.8
310.01071	0.5
310.04639	1.3
313.07278	0.8
318.08859	2.2
319.09625	0.9
322.04907	0.8
325.06976	3.8
329.08026	1.1
333.11319	2.1
335.09183	0.9
337.06927	1.0
337.10574	0.8
339.08795	1.4
345.07306	0.7
346.08374	5.3
347.09259	1.2
350.07852	0.7
351.08615	1.0
352.09348	0.8
361.10672	12.7
363.08554	2.0
364.09372	4.9
367.11801	6.2
375.12466	0.9
379.11780	37.4
380.12134	1.1
388.09268	1.2
391.11499	1.2
393.13345	2.7
399.12271	1.3
403.11624	2.5
411.14331	1.1
417.12817	0.6
418.14075	1.0
421.12860	0.9
427.11847	1.0
433.16452	6.5
434.17007	1.0
435.18243	1.2
437.12387	1.6
439.15475	1.1
442.13882	2.8
457.16507	6.1
457.29453	0.6
475.17554	1.1
475.30493	1.3
493.18549	100.0
494.18674	3.3
627.16553	0.9
655.23987	1.7
685.17694	0.9
697.24884	3.4
723.23987	0.8
741.23816	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	741.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01858	1.0
55.05514	1.2
57.03427	0.6
61.02931	0.6
63.02375	1.1
64.25159	0.4
65.03945	0.4
67.05502	2.0
69.03434	2.3
69.07047	0.9
70.06606	3.4
70.35173	0.4
71.03068	0.7
71.04978	1.0
72.08158	3.3
73.02911	0.5
75.68968	0.4
78.04710	0.4
79.05488	1.4
81.03418	3.4
81.07059	2.0
83.04987	0.9
84.08131	1.5
85.02901	4.4
85.06534	0.7
86.06037	0.8
86.09699	1.3
87.04481	0.5
89.03912	9.4
91.05471	5.6
93.03403	0.5
93.07032	1.4
95.04951	1.6
95.08595	1.5
97.02888	4.0
97.06538	0.8
99.04440	2.0
103.03953	1.2
103.05466	1.6
105.03372	0.5
105.07030	1.8
107.04942	1.4
107.08581	1.4
109.02866	3.8
109.06513	0.8
109.10179	1.1
110.07217	0.6
111.04456	0.6
111.08084	0.4
112.07619	0.5
114.10257	0.7
115.05486	1.0
117.03374	27.4
117.07003	0.6
119.04929	8.5
119.08598	1.1
120.08065	0.8
121.02860	5.0
121.06490	0.8
121.10143	0.8
122.06083	0.5
123.04408	0.8
123.11733	0.5
127.03905	10.4
129.10202	0.7
131.04938	1.3
131.08583	0.7
133.06499	0.9
133.10123	0.7
134.03641	2.3
135.04408	3.2
135.08020	0.6
136.07527	0.7
137.02304	0.5
137.05974	3.4
138.09192	0.4
140.07008	0.8
143.04878	0.6
145.02837	68.1
146.03238	0.9
147.04402	18.2
148.04767	1.1
149.05968	9.6
151.03937	1.4
151.07483	0.6
153.01816	1.0
153.09033	0.5
158.05992	0.6
159.04410	0.9
159.07948	0.4
161.05995	2.2
163.03856	2.7
163.07556	1.0
165.05536	0.8
167.07033	8.2
168.07358	0.8
171.02907	1.0
172.08934	0.5
173.05977	0.9
173.13327	0.6
175.03920	4.8
175.07503	1.1
175.11111	0.5
175.14897	0.6
176.03339	0.7
177.05460	100.0
178.05872	1.3
178.12279	0.6
179.07042	0.6
181.04929	0.7
181.08583	0.6
186.05513	3.3
187.07526	0.6
189.05428	0.6
189.09047	0.8
191.03416	1.2
191.07018	0.6
191.14378	0.6
193.08598	1.3
195.02864	1.2
199.07596	0.6
201.05409	1.2
203.03363	0.8
205.04924	0.6
206.04478	1.5
207.02885	1.1
207.04678	0.4
207.06500	7.0
209.04384	0.7
211.07480	0.6
213.05440	0.6
213.09019	0.5
215.03522	0.5
217.04953	1.0
217.08559	0.6
218.11821	1.0
219.02858	1.2
219.06491	2.6
221.04497	0.5
227.07138	0.8
233.04512	0.8
255.06490	1.2
268.07465	0.8
269.08084	0.8
271.05945	2.5
273.07513	1.3
279.06595	0.9
281.08130	1.0
283.06012	2.5
284.06726	0.7
285.07465	1.3
294.05200	1.7
295.06000	7.9
296.06482	0.5
297.07513	1.7
307.05984	8.0
307.09399	0.6
308.06662	2.0
309.07474	4.9
313.07013	5.4
315.08554	1.4
319.05963	1.6
321.03998	0.9
321.07162	3.4
322.08218	1.0
323.05478	1.0
323.08786	0.8
325.07040	7.2
327.08618	0.5
333.07468	1.7
335.05670	0.6
335.09216	1.5
337.07007	12.4
339.04770	0.7
339.11011	4.9
345.07278	0.7
349.07068	4.0
351.08612	1.9
355.08203	2.2
357.07767	0.6
361.07053	1.9
363.08499	1.8
365.10257	0.8
367.08148	3.5
373.06879	0.6
375.08652	1.2
379.08075	6.3
385.09167	3.4
391.08057	6.1
397.08981	1.5
399.10455	1.3
403.10422	7.1
404.10870	0.5
409.09286	4.3
411.08868	0.5
421.09012	2.4
425.10181	0.6
427.10245	15.8
433.09006	0.9
439.10281	1.5
441.09973	1.0
445.11279	4.4
451.10162	2.1
452.09015	0.5
455.11072	1.2
457.11237	2.8
467.11209	1.5
469.11310	2.5
475.11404	0.8
481.11060	1.3
483.10645	1.5
485.12210	2.3
493.11224	2.4
495.10410	1.9
499.11777	1.1
509.12320	0.6
511.12161	3.2
513.11798	4.4
529.13507	2.7
531.12830	4.9
537.11804	0.7
539.13727	0.6
547.14270	3.8
555.13098	0.6
559.15741	0.5
561.17578	2.0
565.15314	1.5
567.12805	1.3
585.13861	5.7
597.13269	0.6
603.14917	6.2
615.14563	0.6
621.16010	4.5
633.15662	3.0
651.17059	7.4
687.16254	0.8
705.17816	1.3
723.18640	2.1
723.30316	0.5
735.79474	0.5
741.18665	3.0
741.37372	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	0.6
55.05486	0.3
57.03420	0.4
57.12076	0.3
61.02925	0.5
65.03928	2.2
67.05492	0.7
68.99809	0.5
69.03416	2.1
70.06573	0.4
70.11083	1.9
71.01350	0.4
71.04980	0.4
72.08170	0.4
72.21255	0.3
73.02917	0.6
79.05499	0.4
81.03428	2.1
81.07050	0.6
83.04974	0.4
85.02898	3.1
85.06525	0.4
89.03896	1.2
91.05475	16.7
93.03396	0.6
93.07055	0.6
95.04937	0.6
95.08612	0.4
97.02880	4.0
98.21329	0.5
99.04451	2.0
100.11231	0.5
103.03928	1.3
103.05420	0.4
105.03419	0.4
105.07010	0.7
107.04931	1.0
107.08584	0.4
109.02856	3.3
109.10143	0.4
111.04436	0.6
111.58139	0.3
112.23675	0.3
115.05482	0.3
117.03382	2.9
119.04932	33.5
119.08588	0.9
121.02859	5.9
121.10114	0.7
123.04422	1.4
127.03906	23.7
128.04274	0.6
128.07050	0.4
129.06938	0.5
131.04916	0.6
131.08598	0.3
133.10135	0.4
135.04456	0.5
137.05957	0.7
143.04935	0.4
145.02824	10.0
145.04918	1.0
145.06465	1.1
145.10175	0.4
147.04396	100.0
147.11655	1.3
148.04710	1.2
149.02328	0.4
149.05995	1.6
151.03906	0.5
161.05917	0.4
163.03925	1.0
163.07420	0.4
167.03397	1.1
167.07018	1.7
171.04378	0.6
175.03903	0.9
177.05460	13.7
179.03369	0.5
182.15465	0.4
185.05898	0.6
187.05997	0.4
187.07541	0.5
189.01877	0.4
189.05475	0.5
191.03354	1.4
195.02888	0.8
199.07419	0.6
201.05412	0.6
203.03403	0.8
207.02859	1.4
207.06485	0.7
209.04428	0.6
215.07057	0.4
219.02824	1.2
219.06535	0.4
221.04443	0.6
227.07056	0.5
229.04948	0.5
243.06514	0.5
245.08282	0.4
255.06569	1.5
267.06601	0.4
269.04257	0.5
270.05118	0.5
271.05942	2.3
277.45465	0.4
279.06674	0.4
280.07227	0.5
281.08127	1.4
283.05981	2.4
284.06738	0.8
285.07468	2.2
291.08615	1.3
292.07047	0.5
293.08084	0.7
294.05118	4.1
295.06015	8.1
295.09293	0.5
296.06647	0.9
297.07611	1.3
307.05994	9.2
308.06711	2.9
309.07495	3.4
309.10007	2.2
313.07019	4.3
319.06070	1.7
320.06870	0.6
321.07532	2.8
322.08282	0.9
323.09122	0.8
325.07013	10.5
333.07587	1.5
335.05515	0.7
335.09186	1.6
336.06021	0.5
337.07022	18.0
339.11224	0.4
345.07687	0.7
347.09134	1.3
349.07050	3.9
351.08664	3.2
355.08109	4.5
359.23322	1.3
359.73502	0.5
361.06888	2.0
363.08633	0.9
365.06412	0.4
365.10419	0.8
367.07932	2.0
373.07007	1.1
375.08557	1.6
379.08075	7.8
379.12698	0.6
391.08075	4.5
393.09497	0.6
397.09592	1.1
401.09457	0.4
403.08047	3.3
409.09155	3.2
411.08698	0.4
412.09616	0.4
413.10162	0.5
415.10611	1.7
421.09180	4.3
425.10318	1.9
425.15488	0.4
427.10309	1.6
429.12079	0.6
433.11182	3.1
437.10144	1.5
439.10391	4.2
441.10135	0.5
445.09839	0.5
453.09833	0.7
455.11197	4.2
457.11301	12.5
463.10464	0.9
465.09821	1.1
469.09195	0.5
475.12292	7.8
479.11359	1.2
481.11118	2.6
483.10538	2.4
485.12091	0.5
499.12390	1.4
501.11783	6.4
502.12369	0.4
505.11475	0.4
511.12579	1.9
513.12018	0.4
521.12042	0.5
523.12305	2.1
529.12878	0.6
531.12506	0.5
541.13397	1.9
549.11835	0.6
555.12878	0.8
557.14520	0.5
559.14331	3.5
567.12946	1.0
577.15582	4.7
585.13812	4.0
586.14136	0.4
595.15906	1.6
603.14923	6.6
621.15991	14.1
622.16211	0.7
627.13959	0.4
651.17444	0.4
675.17023	1.5
705.18237	1.7
723.18890	2.3
740.50610	1.0
741.19043	1.6
741.49738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.2
53.03926	0.4
55.01862	0.6
61.02911	0.5
62.01583	0.3
63.02378	0.9
67.05501	0.5
68.99784	0.2
69.03422	1.1
69.33890	0.5
69.34293	2.4
70.06586	0.4
73.02951	0.2
78.04710	0.8
79.05479	0.3
81.03400	0.8
81.07041	0.3
83.48758	0.2
84.11997	0.2
85.02895	0.6
89.03907	12.0
91.05462	1.2
93.07040	0.3
95.04969	0.5
95.08588	0.3
97.02879	1.1
98.20692	0.5
103.03945	0.4
103.05447	0.8
106.04159	0.4
107.04915	0.5
109.02876	1.1
115.05448	0.8
117.03366	32.4
119.04945	1.7
121.02854	4.9
121.06499	0.3
123.04411	0.4
124.05190	0.4
127.03910	3.4
131.04930	1.0
134.03584	2.1
135.04398	2.0
137.05971	1.1
138.05524	0.3
143.04927	0.5
145.02831	74.7
146.03210	0.9
147.04373	1.8
149.05965	10.0
151.03943	0.6
158.06024	0.7
159.04424	0.6
161.05949	1.0
162.03130	0.6
163.03940	1.6
163.07561	0.4
167.07068	1.2
173.05972	0.3
175.03865	0.4
175.07478	1.2
177.05450	100.0
178.05826	1.3
179.03355	0.2
181.04921	0.3
186.05446	3.1
187.07474	0.3
189.01877	0.6
189.05402	0.8
191.03355	1.0
195.02863	0.8
195.06416	0.3
201.05338	1.6
203.03377	0.9
205.05019	1.1
207.02843	1.3
207.06465	0.5
209.04370	0.4
215.03358	0.4
217.05002	0.5
219.02858	0.8
219.06429	1.7
221.04451	0.4
227.03354	0.3
229.04898	0.5
231.02991	0.3
233.04333	0.5
255.06564	0.5
256.07098	0.3
257.04724	0.3
267.06454	0.6
268.07324	0.8
271.05908	0.6
273.07483	0.5
279.06583	0.6
280.07233	0.3
281.08075	0.8
283.06018	2.3
284.06760	0.7
285.07309	0.4
291.06339	0.6
293.08243	0.6
294.05170	2.3
295.05948	7.7
295.09293	0.4
296.06638	0.7
297.07681	1.2
305.04565	0.3
305.08014	0.4
307.06003	7.3
308.06766	2.6
309.03970	0.5
309.07434	4.4
313.07013	4.7
317.07846	0.5
319.05927	1.2
320.06659	0.7
321.07309	3.9
322.08090	0.8
323.05420	0.6
323.09122	0.7
325.07040	7.0
333.07513	1.5
335.05240	0.6
335.09113	1.4
336.06311	0.4
337.07034	12.1
338.07419	0.5
339.10928	5.1
345.07562	0.7
346.08221	0.4
347.05392	0.5
347.09131	0.7
349.06979	4.6
350.07867	0.4
351.08636	2.0
355.08102	1.8
361.07056	2.9
363.08762	1.7
365.10190	0.7
367.08127	4.0
373.06845	1.2
375.08566	1.0
377.06247	0.3
379.08081	6.6
385.09314	3.3
387.08588	0.4
391.08072	5.2
395.09164	0.3
397.09167	1.5
399.10416	1.1
403.10385	7.1
405.09384	0.6
409.09143	3.6
410.07993	0.3
415.10193	0.4
421.09006	2.0
423.08551	0.4
425.10495	0.3
426.07242	0.3
427.10233	13.7
428.10593	0.5
429.09546	0.3
433.09042	1.6
437.09598	0.5
439.09790	1.1
441.09433	1.2
443.11334	0.3
445.11221	3.8
451.10318	1.4
452.08722	0.3
453.09512	0.4
455.11285	1.7
457.11325	2.8
463.10223	0.4
467.11078	1.1
469.11258	2.7
471.09879	0.3
475.11584	1.0
478.09790	0.3
481.11426	1.4
483.10471	2.0
485.12250	2.4
493.11334	2.6
495.10941	1.5
499.11557	1.0
509.11954	0.6
511.12250	2.8
513.11749	4.4
521.12042	0.4
529.13507	2.9
531.12878	3.9
537.11554	0.6
539.13586	0.6
547.14435	4.6
549.11609	0.6
555.12372	0.4
559.15594	0.4
565.15179	1.1
567.12756	1.5
585.05164	0.4
585.13855	7.4
586.13428	0.6
589.15735	0.3
597.13635	0.4
603.14813	6.6
604.14825	0.5
615.14429	0.4
621.15967	7.0
622.16229	0.3
633.15833	1.7
651.06909	0.4
651.17041	5.8
687.17029	0.4
705.17755	1.3
723.19202	1.6
741.19769	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	741.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
54.07013	0.3
55.01861	0.4
57.03431	0.3
61.02943	0.2
65.03935	2.0
70.06580	0.7
71.04957	0.3
71.63627	0.4
72.08149	0.3
81.03403	0.8
81.07018	0.3
83.04968	0.6
85.02885	2.0
88.33052	0.2
91.05470	14.4
93.07029	0.4
95.04939	0.5
97.02887	1.3
98.06026	0.3
99.04446	0.8
103.03914	0.7
105.07008	0.3
106.53587	0.3
107.04949	0.7
107.08561	0.3
109.02865	2.0
115.03911	0.4
117.03398	0.4
119.04932	31.9
120.05299	0.4
121.02856	5.2
121.06500	0.2
123.04405	0.7
127.03899	4.2
128.04308	0.3
135.04347	0.3
137.05942	0.4
145.02863	1.8
145.06488	0.6
147.04395	100.0
148.04739	1.1
151.03842	0.4
163.03891	0.5
164.07071	0.6
165.05556	0.4
165.07295	0.3
167.07050	0.7
171.02901	0.4
171.04425	0.7
175.03857	0.5
177.05421	1.8
179.03304	0.3
181.04861	0.4
183.02859	0.3
183.08047	0.3
189.01854	0.4
189.05522	0.3
191.03391	1.4
195.02905	0.8
203.03345	0.8
207.02888	1.0
207.06523	0.5
209.04454	0.8
213.05379	0.3
215.03371	0.4
217.04953	0.4
219.02925	0.9
219.06505	0.3
231.76334	0.3
239.07043	0.3
255.06577	0.5
257.04410	0.3
263.07086	0.5
267.06604	0.6
268.07214	0.3
271.05984	1.9
279.06476	1.0
281.08078	1.3
283.06061	1.4
284.06677	0.7
287.05508	0.5
291.06595	0.4
294.05225	2.8
295.05960	6.3
296.06635	0.5
297.07581	1.1
307.05963	8.4
308.06711	3.1
309.07394	3.5
309.09900	3.3
311.05350	0.4
313.06967	3.4
319.05975	1.3
321.07523	2.7
322.08334	1.0
323.05457	0.6
323.08942	0.4
325.07034	8.1
333.07651	1.0
335.05481	0.6
335.09113	1.0
336.06085	0.4
337.07025	17.5
338.07379	0.5
339.08545	0.8
347.09116	1.8
349.07059	3.0
350.07019	0.3
351.08655	2.4
355.08099	4.3
361.06979	1.9
363.08612	0.6
365.10120	0.7
367.08194	1.3
373.06961	0.3
375.08591	1.5
379.08124	5.0
387.08691	0.4
391.08118	2.8
393.09717	0.4
397.09470	0.4
403.08017	2.9
409.09171	2.4
411.08636	0.6
412.09164	0.5
415.10312	1.4
421.09116	3.9
425.09985	1.3
426.10330	0.3
427.10205	0.8
429.11783	0.9
433.11218	3.5
437.10251	1.2
439.10321	3.3
441.09988	0.5
445.09543	0.5
453.09448	0.3
455.11325	3.7
457.11255	16.8
458.11246	0.3
463.10303	0.5
465.09119	1.6
469.09277	0.4
475.12357	6.8
479.10825	0.3
481.11392	2.0
483.10797	2.4
499.12378	1.4
501.11758	6.2
505.12018	0.3
507.10562	0.6
511.12189	0.7
521.12073	0.4
523.12329	1.6
525.11902	0.4
529.13043	0.5
541.13348	1.6
549.11615	0.7
557.14288	0.6
559.14801	2.4
567.12708	1.1
577.15521	3.1
585.13892	3.8
595.16284	1.2
603.14844	7.8
621.15948	13.0
622.16064	0.3
705.17749	1.2
723.18793	1.7
741.19623	1.9
741.30859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.01862	1.0
57.03429	0.4
61.02908	0.7
63.02377	1.0
65.03945	0.6
67.05489	0.5
69.03419	1.5
69.83031	1.7
69.83443	0.6
70.06581	1.1
71.04993	0.6
72.08147	0.8
73.02916	0.5
78.04694	0.6
79.05483	0.8
81.03413	1.4
81.07028	1.1
83.04979	0.4
84.08140	0.5
85.02912	1.9
86.09692	0.5
89.03912	11.2
89.14568	0.4
91.05472	4.3
93.07016	1.1
95.04981	0.7
95.08598	0.7
97.02877	1.5
97.06512	0.5
98.06102	0.3
98.21486	0.4
99.04458	0.8
103.05447	1.4
105.03365	0.5
105.07042	0.7
106.04152	0.5
107.04937	1.0
107.08603	0.6
109.02856	2.0
109.10137	0.7
111.04414	0.5
112.07613	0.5
115.05442	0.9
117.03374	30.0
117.06991	0.5
119.04925	6.1
119.08582	0.5
121.02872	4.9
121.06518	0.5
123.04451	0.9
124.07539	0.4
127.03918	4.2
131.04915	1.3
133.06479	0.7
133.10158	0.5
134.03633	2.2
135.04413	2.7
137.05963	1.7
143.04904	0.4
145.02835	70.4
146.03200	0.7
147.03224	0.4
147.04401	9.2
149.05969	9.6
151.03876	0.9
153.01817	1.1
158.05986	0.5
159.04430	0.7
161.05940	1.1
162.03120	0.6
163.03845	2.0
163.07474	0.6
167.07021	2.2
171.04292	0.4
173.05975	0.5
175.03899	5.5
175.07532	1.0
175.14845	0.5
177.05457	100.0
178.05789	1.3
178.12259	0.6
179.03439	0.7
179.06990	0.4
181.04968	0.5
186.05472	3.2
187.03899	0.5
187.07501	0.6
189.01936	0.7
189.05411	0.5
191.03391	1.1
191.07071	0.5
191.14377	0.4
193.04932	0.4
193.08495	0.4
195.02853	1.2
201.05486	1.2
203.03348	1.0
205.04976	0.6
206.04514	0.6
207.02846	1.0
207.06529	9.3
209.04454	0.6
215.03468	0.5
215.06961	0.4
217.04916	1.1
219.02940	0.9
219.06519	2.2
229.04993	0.7
233.04381	0.5
243.06497	0.4
249.07561	0.6
251.07054	0.5
255.06499	1.5
267.06448	0.6
268.07330	1.3
269.07745	0.5
270.05051	0.8
271.05991	1.4
273.07596	1.1
279.06451	0.6
281.08020	0.7
283.06003	2.6
284.06738	0.8
285.04303	0.3
285.07617	1.8
293.08029	0.7
294.05258	1.9
295.05981	9.1
296.06586	0.5
297.07651	1.9
300.06174	0.8
307.05988	8.4
307.09479	0.6
308.06738	2.6
309.07504	4.8
313.07022	5.4
315.08585	3.8
317.08072	0.4
319.06088	1.7
320.06830	0.6
321.07257	4.0
322.08215	0.8
323.05338	0.6
323.08887	0.6
325.07019	7.8
333.07520	1.9
335.05362	0.6
335.08987	1.2
336.06372	0.7
337.07010	13.0
339.10992	5.8
343.08316	0.4
345.07660	0.8
347.05334	0.5
347.09073	0.7
349.06989	4.0
351.08557	2.6
355.08133	2.4
361.07034	2.3
363.08234	1.9
365.10114	0.6
367.08093	4.2
373.06998	1.1
375.08676	1.0
377.06351	0.4
379.08099	7.0
380.08386	0.4
385.09229	3.8
389.06229	0.5
391.08081	6.1
393.09418	0.6
395.09198	0.5
397.09055	1.6
399.10483	1.4
403.10367	9.0
404.10464	0.5
405.09521	0.8
409.09195	4.3
421.09076	2.0
423.08786	0.4
427.10263	16.4
428.10477	0.4
433.09540	1.4
437.09961	0.6
439.10135	1.5
441.09415	0.7
443.11041	0.5
445.11368	4.4
451.10184	2.0
452.09152	0.4
455.11154	1.3
457.11270	3.2
463.09842	0.7
467.11121	1.1
469.11234	3.6
471.10400	0.8
475.11505	1.3
481.11234	2.2
483.10736	1.5
485.12198	2.0
493.11359	2.4
495.10547	2.0
499.12289	1.8
509.11948	0.6
511.12326	2.7
513.11871	4.2
517.13110	0.6
525.11890	0.5
529.13416	2.3
531.12872	4.9
537.11511	0.8
539.12866	0.8
541.12244	0.4
543.12158	0.4
547.14362	3.9
549.11774	0.7
565.15131	1.3
567.12939	1.7
585.13806	6.2
597.13074	0.5
603.14941	6.4
615.14270	0.7
621.16077	5.1
633.15863	2.4
651.07275	0.4
651.17120	7.7
657.15887	0.5
669.15735	0.8
705.17505	0.9
723.18732	2.0
724.19757	0.4
741.19336	3.1
741.36639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01860	0.5
56.10170	0.3
57.29521	0.2
63.02380	0.8
65.03936	0.6
67.05491	0.4
67.29735	0.2
68.99786	0.3
69.03426	3.5
69.07049	0.2
69.74637	0.7
69.75053	1.1
70.06584	0.8
71.04994	0.3
72.07788	0.3
72.08136	1.3
73.02939	0.2
81.03408	0.9
81.07050	0.5
83.04979	0.3
84.08121	0.7
85.02900	2.6
89.03907	9.0
91.05475	1.5
93.07036	0.3
95.04961	0.7
95.08547	0.3
97.02885	2.4
98.05998	0.3
98.20816	0.4
99.04453	0.6
103.03954	0.4
103.05436	1.1
103.36288	0.2
105.03369	0.3
105.07059	0.6
106.04162	0.4
107.04957	0.7
107.08550	0.3
109.02863	1.0
111.04436	0.4
115.05454	0.6
117.03366	28.6
117.06984	0.4
119.04935	1.8
119.08540	0.3
121.02849	4.4
121.06514	0.3
123.04386	0.4
124.05170	0.6
127.03913	4.3
131.04927	1.6
133.06459	0.3
133.10086	0.3
134.03625	1.8
135.04445	2.6
137.05974	1.1
143.04900	0.5
145.02826	75.8
146.03226	1.3
147.04385	3.3
149.04768	0.4
149.05960	9.0
151.03822	0.4
153.01811	0.5
153.09053	0.3
158.05994	0.7
159.04414	1.3
160.05092	0.7
161.05959	0.5
163.03902	1.3
163.07474	0.7
164.06956	0.3
166.52251	0.3
167.07007	1.7
173.05992	0.5
175.03940	0.5
175.07590	1.2
177.05447	100.0
178.05782	1.1
179.03302	0.6
181.05008	0.3
181.06529	0.2
186.05487	3.0
187.03871	0.6
187.05954	0.3
187.07574	0.3
189.01807	1.1
189.05357	0.6
191.03365	0.7
191.07011	0.4
195.02855	0.7
197.06123	0.3
201.05493	0.8
203.03346	0.9
205.04956	0.6
206.04559	0.7
207.02884	1.7
207.06462	0.5
215.03339	0.6
215.07008	0.4
217.04967	0.5
219.02917	0.7
219.06505	3.0
221.04460	0.5
227.03374	0.4
229.04971	0.4
231.06506	0.9
233.04442	0.4
241.04808	0.3
243.06456	0.4
245.04372	0.4
251.06812	0.3
255.06761	0.5
261.07639	0.3
263.06973	0.3
271.05902	1.3
273.03839	0.3
273.07553	0.5
279.06494	0.5
281.08081	0.5
283.05951	4.3
284.06589	0.5
285.07632	0.3
287.05466	1.5
289.08920	0.3
291.08713	2.4
293.08002	0.5
294.05130	2.3
295.05984	6.3
296.06665	0.3
297.07532	1.0
301.07196	0.3
307.02518	0.5
307.05966	6.8
308.06799	1.9
309.07269	1.3
309.09753	1.5
313.03510	0.5
313.07022	6.5
317.08118	0.5
319.06033	1.2
320.06613	0.8
321.07043	3.6
322.08179	0.6
323.05585	0.4
323.09076	0.6
325.07037	4.3
327.38931	0.2
328.13904	0.3
329.08011	0.3
331.06003	0.3
333.07486	2.5
334.08282	0.6
335.05502	0.4
335.08994	1.6
336.06186	0.4
337.06995	11.1
339.10797	9.5
345.07422	1.2
349.07053	3.7
350.07495	0.4
351.08606	2.2
355.08051	0.8
361.06973	2.8
363.08548	2.4
367.08133	3.6
373.07214	1.6
375.08740	0.3
379.08069	5.2
385.09204	2.4
391.08102	5.7
403.08032	0.7
409.09119	2.3
415.09302	0.4
421.08887	0.5
427.10291	1.6
433.08749	0.7
439.10565	0.4
451.09875	0.4
455.10916	0.9
457.11603	0.6
463.10062	0.7
467.10977	0.3
481.11212	1.4
483.10516	1.3
485.12158	0.4
489.11230	0.3
493.11041	0.8
499.12140	0.4
501.11823	3.8
511.12366	1.7
513.12091	1.9
529.13574	0.5
531.12823	5.2
541.15082	0.3
547.14001	0.5
555.12787	6.8
567.12811	1.7
585.13843	10.8
591.14661	1.2
597.13647	0.7
603.14948	6.2
609.15338	0.3
615.14563	0.4
615.36731	0.3
621.15961	7.2
633.16315	1.2
645.15924	1.2
651.16968	3.0
657.14618	0.3
675.05920	0.4
675.16962	6.7
687.16504	1.1
700.70782	0.3
705.06293	0.3
705.17975	4.7
723.19012	1.8
741.25067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52700	0.2
52.80390	0.2
53.03926	0.4
55.01863	0.5
57.03420	0.4
61.02918	0.3
63.02370	0.6
65.03927	0.3
68.99786	0.2
69.03424	2.5
70.06584	2.4
71.04976	0.6
72.08132	0.5
73.02940	0.2
78.04704	0.5
80.94184	0.2
81.03419	1.0
83.04978	0.4
84.08140	0.2
85.02893	2.5
87.04449	0.4
89.03906	7.5
91.00974	0.2
91.05473	1.4
93.03366	0.2
93.07014	0.4
95.04942	0.5
95.08595	0.2
97.02873	1.3
98.06048	0.4
98.21480	0.5
99.04445	0.6
101.06030	0.2
103.03942	0.5
103.05452	0.7
105.03387	0.2
105.07018	0.2
106.04181	0.3
107.04937	0.4
107.08580	0.3
109.02871	1.4
109.06451	0.2
109.10154	0.2
111.04424	0.2
112.07607	2.0
113.07964	0.3
115.05448	0.5
117.03367	23.1
119.04934	2.6
121.02853	4.7
121.06509	0.4
121.10078	0.3
123.04398	0.3
124.05193	0.4
127.03901	4.6
129.05490	0.3
131.04939	0.9
133.06570	0.2
133.10123	0.3
134.03612	1.5
135.04402	2.4
137.02411	0.2
137.05971	0.8
140.06229	0.2
140.07059	1.7
141.07324	0.2
143.04892	0.3
145.02829	66.2
146.03194	0.7
146.36572	0.2
147.04388	5.9
147.08072	0.2
149.05966	8.0
151.03870	0.4
151.07570	0.2
153.01819	0.9
154.78442	0.2
158.06033	0.4
158.08168	0.3
159.04396	0.7
160.05176	0.5
161.05919	0.5
162.03123	0.4
163.03885	1.5
163.06029	0.2
163.07558	0.4
165.01826	0.3
167.03328	0.2
167.07010	1.9
167.10623	0.3
171.04448	0.2
173.05969	0.4
175.03918	0.8
175.07451	0.9
177.05449	100.0
178.05870	1.0
179.03293	0.2
181.04924	0.3
186.05455	2.7
187.03848	0.3
187.05960	0.2
187.07520	0.3
189.01807	1.1
189.05418	0.4
191.03384	0.5
191.07053	0.2
191.14270	0.2
195.02872	0.5
195.06534	0.3
199.03734	0.2
201.05467	0.9
203.03337	0.9
203.07079	0.2
205.04892	0.5
207.02870	1.2
207.06454	0.8
209.15372	0.2
211.03741	0.2
215.03351	0.5
215.07037	0.4
217.04915	0.6
217.08582	0.2
219.02887	0.4
219.06506	2.7
221.04457	0.4
227.03232	0.2
229.04929	0.3
231.06528	0.2
233.04427	0.6
233.07985	0.3
241.04942	0.2
243.02826	0.3
243.06412	0.4
245.04420	0.2
255.06454	0.3
261.07571	0.3
267.06433	0.5
270.04944	0.2
271.05981	26.0
279.06439	0.3
280.07263	0.3
281.08044	0.6
283.05981	4.6
284.06406	0.4
284.11221	0.3
285.07654	0.4
293.07956	0.5
294.05191	2.1
295.05960	6.5
296.06586	0.3
297.07529	0.7
302.12076	0.3
305.07990	0.4
307.05984	7.3
307.09277	0.4
308.06812	1.7
309.04053	0.3
309.07526	2.7
313.07037	4.6
317.08136	0.3
319.05905	1.0
320.06717	0.5
320.37228	0.2
321.07159	4.2
322.08380	0.9
323.05435	0.4
323.09155	0.6
325.06995	4.8
329.08044	0.5
333.07501	2.9
334.08228	0.3
335.09045	1.5
336.06223	0.3
337.07019	9.1
338.07532	0.3
339.10782	10.6
345.07379	1.6
347.05408	0.3
347.09048	0.4
349.07010	4.9
350.07355	0.2
351.04752	0.3
351.08630	2.6
355.07999	0.7
361.06989	3.0
363.08545	2.0
367.08133	4.3
373.06989	1.9
375.08362	0.6
379.08047	6.3
380.08273	0.3
385.09064	2.8
387.08737	0.4
391.08096	6.7
403.08215	0.7
409.09189	2.1
415.08295	0.5
417.09653	0.5
421.09439	0.5
427.10370	2.1
429.09811	0.2
433.10098	0.5
437.09991	0.3
439.10117	0.4
441.09561	0.3
445.09851	0.3
455.11404	1.2
457.11017	0.6
463.10117	0.3
467.11023	0.3
469.12775	0.2
481.11386	1.4
483.10568	1.3
493.11206	0.6
495.10529	0.3
501.11816	3.4
509.12521	0.2
511.12515	1.3
513.11633	1.7
521.12183	0.4
529.13770	0.8
531.05170	0.3
531.12793	4.8
537.11810	0.3
547.14197	0.6
549.11682	0.4
555.12793	7.2
567.12994	1.8
579.16797	0.4
585.13855	11.0
586.13025	0.3
603.14899	7.8
609.15448	0.4
621.15955	7.5
622.15350	0.2
633.15625	0.7
639.15796	0.3
651.17023	5.3
651.27966	0.3
657.15833	0.3
669.14606	0.3
675.17017	11.8
676.16876	0.3
687.16949	0.8
705.06171	0.4
705.17932	5.5
723.18829	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	741.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01868	0.6
55.05486	0.3
57.03420	0.4
57.12076	0.3
61.02925	0.5
65.03928	2.2
67.05492	0.7
68.99809	0.5
69.03416	2.1
70.06573	0.4
70.11083	1.9
71.01350	0.4
71.04980	0.4
72.08170	0.4
72.21255	0.3
73.02917	0.6
79.05499	0.4
81.03428	2.1
81.07050	0.6
83.04974	0.4
85.02898	3.1
85.06525	0.4
89.03896	1.2
91.05475	16.7
93.03396	0.6
93.07055	0.6
95.04937	0.6
95.08612	0.4
97.02880	4.0
98.21329	0.5
99.04451	2.0
100.11231	0.5
103.03928	1.3
103.05420	0.4
105.03419	0.4
105.07010	0.7
107.04931	1.0
107.08584	0.4
109.02856	3.3
109.10143	0.4
111.04436	0.6
111.58139	0.3
112.23675	0.3
115.05482	0.3
117.03382	2.9
119.04932	33.5
119.08588	0.9
121.02859	5.9
121.10114	0.7
123.04422	1.4
127.03906	23.7
128.04274	0.6
128.07050	0.4
129.06938	0.5
131.04916	0.6
131.08598	0.3
133.10135	0.4
135.04456	0.5
137.05957	0.7
143.04935	0.4
145.02824	10.0
145.04918	1.0
145.06465	1.1
145.10175	0.4
147.04396	100.0
147.11655	1.3
148.04710	1.2
149.02328	0.4
149.05995	1.6
151.03906	0.5
161.05917	0.4
163.03925	1.0
163.07420	0.4
167.03397	1.1
167.07018	1.7
171.04378	0.6
175.03903	0.9
177.05460	13.7
179.03369	0.5
182.15465	0.4
185.05898	0.6
187.05997	0.4
187.07541	0.5
189.01877	0.4
189.05475	0.5
191.03354	1.4
195.02888	0.8
199.07419	0.6
201.05412	0.6
203.03403	0.8
207.02859	1.4
207.06485	0.7
209.04428	0.6
215.07057	0.4
219.02824	1.2
219.06535	0.4
221.04443	0.6
227.07056	0.5
229.04948	0.5
243.06514	0.5
245.08282	0.4
255.06569	1.5
267.06601	0.4
269.04257	0.5
270.05118	0.5
271.05942	2.3
277.45465	0.4
279.06674	0.4
280.07227	0.5
281.08127	1.4
283.05981	2.4
284.06738	0.8
285.07468	2.2
291.08615	1.3
292.07047	0.5
293.08084	0.7
294.05118	4.1
295.06015	8.1
295.09293	0.5
296.06647	0.9
297.07611	1.3
307.05994	9.2
308.06711	2.9
309.07495	3.4
309.10007	2.2
313.07019	4.3
319.06070	1.7
320.06870	0.6
321.07532	2.8
322.08282	0.9
323.09122	0.8
325.07013	10.5
333.07587	1.5
335.05515	0.7
335.09186	1.6
336.06021	0.5
337.07022	18.0
339.11224	0.4
345.07687	0.7
347.09134	1.3
349.07050	3.9
351.08664	3.2
355.08109	4.5
359.23322	1.3
359.73502	0.5
361.06888	2.0
363.08633	0.9
365.06412	0.4
365.10419	0.8
367.07932	2.0
373.07007	1.1
375.08557	1.6
379.08075	7.8
379.12698	0.6
391.08075	4.5
393.09497	0.6
397.09592	1.1
401.09457	0.4
403.08047	3.3
409.09155	3.2
411.08698	0.4
412.09616	0.4
413.10162	0.5
415.10611	1.7
421.09180	4.3
425.10318	1.9
425.15488	0.4
427.10309	1.6
429.12079	0.6
433.11182	3.1
437.10144	1.5
439.10391	4.2
441.10135	0.5
445.09839	0.5
453.09833	0.7
455.11197	4.2
457.11301	12.5
463.10464	0.9
465.09821	1.1
469.09195	0.5
475.12292	7.8
479.11359	1.2
481.11118	2.6
483.10538	2.4
485.12091	0.5
499.12390	1.4
501.11783	6.4
502.12369	0.4
505.11475	0.4
511.12579	1.9
513.12018	0.4
521.12042	0.5
523.12305	2.1
529.12878	0.6
531.12506	0.5
541.13397	1.9
549.11835	0.6
555.12878	0.8
557.14520	0.5
559.14331	3.5
567.12946	1.0
577.15582	4.7
585.13812	4.0
586.14136	0.4
595.15906	1.6
603.14923	6.6
621.15991	14.1
622.16211	0.7
627.13959	0.4
651.17444	0.4
675.17023	1.5
705.18237	1.7
723.18890	2.3
740.50610	1.0
741.19043	1.6
741.49738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01854	1.4
55.05297	0.8
55.05513	9.0
57.03431	6.8
61.02903	1.4
65.03929	1.3
67.05501	29.0
69.03427	1.2
69.07062	9.6
71.04993	1.9
79.05489	26.3
81.03400	1.8
81.07048	34.0
83.04983	1.9
83.08617	6.4
85.02887	1.1
85.06532	0.9
89.05979	0.9
91.05468	9.8
93.06461	1.9
93.07037	34.3
94.07368	0.9
95.04944	5.9
95.08601	36.3
97.02892	3.0
97.06509	2.4
97.10145	1.5
98.21499	2.0
99.04424	1.6
105.06370	1.3
105.07027	13.4
107.04935	4.9
107.08586	23.9
109.06496	2.3
109.10147	10.2
111.08066	1.3
117.07018	5.9
119.08584	11.0
121.06478	3.5
121.10134	16.0
123.08044	1.2
123.11690	2.1
125.05965	2.4
130.07741	1.0
130.86339	0.9
131.08585	4.1
133.10106	4.7
135.08064	0.9
135.11679	35.1
137.13287	0.9
143.08470	1.2
145.10115	18.7
147.11644	2.4
148.43820	0.8
149.09669	1.0
149.13228	3.0
159.11700	1.9
161.13210	2.0
162.72516	0.9
163.11177	36.3
163.14871	1.3
168.27650	0.8
173.13283	1.3
177.53204	0.9
181.12209	6.5
186.43257	0.9
187.14740	1.1
209.11731	0.8
227.10483	2.1
227.12761	42.9
229.52992	1.1
242.97563	0.8
243.21071	1.7
261.22235	5.1
283.15375	49.2
284.15717	1.3
317.24872	2.0
335.25772	100.0
336.26169	3.9
356.11887	1.0
400.37149	1.0
494.04379	1.1
543.36792	83.7
544.37115	4.1
565.78314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
53.41774	0.6
55.01868	7.8
55.05265	1.4
55.05511	21.0
57.03434	18.0
57.07057	2.5
59.04990	2.8
61.02916	4.3
65.03933	1.2
67.05502	47.1
69.03420	1.9
69.06712	1.0
69.07061	11.9
70.02831	4.3
71.01343	1.0
71.04980	4.1
71.08614	1.1
73.02911	2.1
73.91389	0.7
79.05489	37.3
79.05953	1.8
81.03414	13.1
81.07053	48.0
83.01338	8.7
83.04974	10.1
83.08615	16.8
85.02902	9.3
85.06534	1.7
91.03955	3.1
91.04901	0.7
91.05476	22.5
93.07040	50.3
95.04955	8.3
95.08603	35.5
95.09229	1.1
97.02898	4.8
97.06519	5.7
97.10149	4.1
99.04459	2.7
99.08084	1.1
105.04515	1.1
105.07030	15.7
107.04958	8.0
107.08588	25.6
109.06525	7.1
109.08932	0.9
109.10154	13.3
111.04433	3.1
111.08064	2.6
117.07017	11.7
119.08572	15.3
121.06494	3.1
121.09303	1.3
121.10144	20.3
123.08068	9.2
123.11668	4.0
125.05984	1.5
125.09607	2.7
127.03916	0.8
129.07013	2.0
130.07796	1.5
131.08563	11.6
131.69377	0.7
133.10138	10.2
135.08031	2.7
135.11693	21.0
137.09596	2.7
137.13260	1.1
143.08618	1.5
145.10121	17.0
147.08052	2.4
147.11703	5.2
149.09676	1.0
149.13280	4.3
153.12755	4.2
155.08511	1.7
157.10133	2.0
159.11708	4.1
161.13213	4.4
163.11174	21.4
163.14819	2.6
169.10092	0.8
171.11678	1.0
173.09618	2.8
173.13252	4.2
175.14760	1.1
177.16299	0.9
181.12219	4.5
185.13240	1.2
187.14830	2.9
189.11227	2.2
191.10657	2.6
193.12201	1.7
209.11710	8.7
211.13237	1.7
219.25023	0.9
227.12793	10.6
234.76624	0.7
243.21077	4.9
259.20612	1.4
261.22119	15.0
267.16055	1.5
279.22995	0.8
283.15384	100.0
284.15723	1.5
285.16965	0.9
299.23709	3.4
317.24734	4.8
333.24167	0.8
335.25784	72.1
336.26117	2.8
341.82736	0.7
433.31128	1.7
434.20618	0.8
451.32071	3.2
469.33038	2.2
487.33844	1.5
525.36096	3.8
543.36798	46.9
544.36908	2.3
561.37836	4.1
674.58826	0.8
724.34772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	2.4
55.01871	7.4
55.05508	19.3
55.37226	0.5
57.03432	16.0
57.07034	2.4
59.04966	2.4
61.02918	6.8
65.03899	2.0
67.05499	53.3
69.03388	2.5
69.07063	15.2
71.01325	1.3
71.04989	4.7
71.08607	0.7
71.36147	1.0
73.02878	1.8
77.03906	0.9
79.05486	43.2
81.02981	0.8
81.03408	10.4
81.07050	54.2
83.01328	7.8
83.04977	10.9
83.08612	15.2
85.02896	10.3
85.06492	1.5
91.03941	3.2
91.05472	25.5
93.07037	55.6
95.04962	10.6
95.08597	39.4
96.04311	0.5
97.02879	5.4
97.05988	0.6
97.06518	7.1
97.10153	4.2
99.04408	1.7
99.08067	1.4
103.05447	1.0
105.04547	0.7
105.07023	19.9
106.01243	0.5
107.04942	6.3
107.08583	32.4
109.02743	0.6
109.06507	7.1
109.10149	17.6
111.04459	2.7
111.08055	3.5
117.06232	0.8
117.07006	12.1
119.08568	15.6
121.06515	3.5
121.10132	25.2
123.04457	0.6
123.08064	8.4
123.11684	5.5
123.98932	0.5
125.05948	1.3
125.09600	2.7
128.26559	0.6
129.06926	2.4
130.07742	1.8
131.08554	12.5
133.09219	0.9
133.10124	10.4
135.08009	2.0
135.11673	21.8
137.09549	2.3
137.13226	0.8
139.11182	0.7
143.08508	1.8
145.06479	0.9
145.10104	20.9
146.10390	0.6
147.07996	2.0
147.11659	6.6
149.05894	0.6
149.09529	1.6
149.13234	5.9
153.09027	0.8
153.12756	3.3
155.08521	2.1
157.10106	1.7
159.11658	6.4
161.13249	4.3
163.11172	21.5
163.14830	3.2
164.11488	0.6
169.10104	1.1
171.11688	1.5
173.09601	3.0
173.13234	4.8
175.11201	0.9
175.14838	2.7
177.16364	1.4
181.12198	3.2
183.11726	0.9
185.13286	1.0
185.49939	0.7
187.14784	2.4
189.11174	2.5
191.10637	3.2
191.14241	0.8
193.12189	1.4
194.41519	0.5
197.13130	0.7
199.14771	0.8
201.16432	1.4
209.11713	7.6
211.13202	1.6
213.26570	0.6
225.16382	0.6
227.12753	10.6
233.22668	0.9
234.56378	0.6
243.21120	6.0
259.20502	1.6
261.22089	16.8
267.15863	1.2
277.21637	0.7
283.15369	94.2
284.15723	1.3
285.17047	1.0
291.23343	0.7
299.23788	5.0
301.21609	0.7
317.24734	5.0
333.24167	2.0
335.25772	100.0
336.26163	1.9
373.35767	0.6
433.31018	2.1
447.24536	0.6
451.32123	2.5
469.33170	2.0
473.91461	0.6
487.34103	0.8
515.37677	0.8
517.34595	0.7
525.35632	5.8
543.36780	78.8
544.37207	3.3
561.37939	2.4
604.87360	0.7
726.57922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
53.54566	1.8
55.01861	9.6
55.05509	28.4
57.03431	11.3
59.04986	4.7
59.05378	1.8
61.02921	18.8
65.03933	2.9
67.05498	55.6
69.03423	16.0
69.07069	26.0
71.01332	2.0
71.04990	10.2
71.61842	2.4
73.02903	9.2
78.50941	1.8
79.05482	40.7
81.03419	16.6
81.07051	58.5
83.04975	11.9
83.08609	15.6
85.02892	22.7
85.06107	1.9
85.06504	9.6
91.03932	5.6
91.04951	4.0
91.05471	45.7
93.07035	49.7
95.04957	16.1
95.08599	38.1
97.02897	19.5
97.06536	8.6
97.10156	16.5
97.45347	1.8
99.04434	4.4
99.08120	3.5
105.07022	40.0
105.07680	3.5
107.04959	8.3
107.08582	31.0
109.02872	5.8
109.06526	8.8
109.10145	19.8
111.04426	4.1
111.08099	4.5
111.51007	2.1
115.05412	3.5
117.07014	24.2
119.08566	34.8
121.06483	4.9
121.10143	20.9
123.04424	4.8
123.08041	9.5
123.11725	6.7
125.09615	13.1
127.03903	2.9
128.06195	5.8
129.07001	17.7
131.08546	33.5
133.06508	3.6
133.10104	22.6
135.08051	7.0
135.11682	8.2
139.07570	2.4
139.11162	2.6
141.06976	6.8
142.07797	4.9
143.08551	23.7
145.06462	3.7
145.10101	25.4
147.08047	7.2
147.11661	11.7
149.09613	6.4
149.13237	2.6
151.11171	2.7
153.07004	2.7
153.12708	2.3
155.08542	13.0
157.10109	20.3
159.08040	3.8
159.11664	24.9
161.09642	5.5
161.13222	6.5
163.11183	5.7
167.08582	6.5
167.10721	2.1
169.10080	13.8
171.11665	15.9
173.09583	6.5
173.11978	2.4
173.13199	13.0
175.11186	8.1
175.14735	2.4
177.12761	3.4
179.08557	3.5
181.10106	7.6
183.11716	12.4
185.09550	2.8
185.13260	10.1
187.11203	3.4
187.14783	5.3
189.11218	7.9
189.12743	2.6
193.10202	3.8
193.12086	3.1
195.11688	9.6
197.13240	9.4
199.11200	3.9
199.14825	5.8
201.12834	2.9
201.16412	2.7
207.11702	3.8
209.13307	9.7
211.11197	2.0
211.13086	2.6
211.14807	6.8
213.16405	3.0
221.13333	3.1
223.14900	4.4
225.16370	2.7
227.12657	10.6
237.16393	3.8
257.19028	3.3
259.20523	4.5
267.15799	2.9
273.18481	4.4
275.20108	6.0
283.15204	3.0
283.20523	5.6
285.11307	3.2
285.22113	3.7
291.19589	4.7
297.22131	2.7
299.20383	2.7
299.23672	8.2
301.21481	3.7
309.22083	2.5
321.22269	2.6
348.09592	3.5
349.23813	2.3
365.10263	4.6
365.23877	2.5
366.10638	6.0
367.11111	5.8
415.29980	3.2
421.25861	2.9
433.31207	13.4
443.27692	3.5
451.31985	18.0
461.28851	2.5
469.33282	5.3
489.21713	3.4
489.33548	2.5
507.34509	8.3
515.36530	2.4
517.35315	22.2
525.35712	84.8
539.36993	3.8
543.36780	100.0
557.38617	20.9
575.39642	31.9
643.81549	2.1
651.38116	3.5
679.40808	3.6
687.41461	4.3
705.41766	4.8
719.40765	3.9
737.43182	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	735.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	2.4
54.55042	0.3
55.01815	1.4
55.05485	0.5
57.03384	1.9
57.07014	0.5
61.02875	1.5
65.03874	0.6
66.84772	0.4
67.05500	2.1
68.99729	1.1
69.03431	10.1
69.03770	0.6
69.07012	1.4
70.03732	0.7
70.04149	1.5
71.01322	0.4
71.04926	1.1
73.02909	1.9
79.05453	1.0
79.68734	0.3
81.03413	9.4
81.06989	1.4
81.75877	0.3
83.15662	0.3
85.02903	10.3
86.09632	0.5
87.00817	4.1
87.04391	0.6
87.74859	0.3
91.03890	0.7
91.05468	2.8
93.07040	11.5
95.04900	1.1
95.08549	0.6
97.02898	4.0
99.04457	3.2
101.02312	0.4
103.03903	0.5
104.88826	0.4
105.01805	1.0
105.06982	1.0
107.04890	0.5
107.08586	6.4
109.02873	5.6
109.06491	0.6
109.10145	2.5
115.03861	0.5
117.01788	0.6
117.03280	0.4
117.06960	0.9
119.08500	0.4
123.04382	0.7
127.03918	7.4
129.01755	0.8
129.06883	0.6
133.10039	0.4
135.04358	0.6
135.11696	8.0
137.02269	1.5
143.08481	0.4
145.04880	1.5
147.04355	0.5
153.01746	0.5
157.06441	1.0
159.02913	2.2
159.04124	0.4
161.02319	0.6
169.06398	0.6
169.10211	0.4
183.07980	0.5
185.05977	1.1
189.05489	2.2
195.02736	1.0
202.07697	1.4
203.06975	0.6
213.05440	2.8
217.10129	2.3
219.08044	0.6
231.06516	1.7
235.11002	0.5
237.09006	0.5
245.09613	4.6
247.07509	0.5
248.08148	0.7
263.10507	1.1
273.09015	2.7
275.06982	1.4
276.07678	1.1
277.08502	0.6
283.05978	0.4
285.04150	0.5
291.10107	2.8
293.08005	0.7
295.05994	0.8
299.05478	0.7
301.08588	1.9
308.06726	1.3
311.05469	9.8
317.07852	0.5
319.09619	12.1
321.07446	0.4
322.08163	0.5
323.05429	2.4
323.09100	2.2
325.07101	0.5
329.07925	1.3
333.07471	0.5
337.06882	1.0
337.10687	1.0
346.08374	0.7
347.09128	46.9
348.09521	0.8
349.07037	1.2
350.07724	2.4
351.08664	0.7
353.10159	7.1
359.09128	0.7
361.10843	0.5
364.09363	0.8
365.10175	100.0
366.10709	1.7
377.10168	0.5
379.11749	1.2
389.10141	1.3
393.13232	0.8
403.11877	1.0
405.13409	0.5
407.10522	2.2
407.15176	1.2
418.15024	0.4
419.14957	4.6
431.14862	0.7
460.49960	0.4
461.15659	0.4
487.21152	59.3
488.21600	0.8
527.15515	6.0
569.16510	6.5
595.14392	2.0
601.15588	0.5
612.67963	0.4
613.15485	28.8
614.15314	0.8
649.26300	3.3
691.27362	4.2
717.24249	0.5
735.26373	9.9
735.39673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01870	0.7
55.05503	0.3
57.03431	1.7
61.02918	2.3
67.05500	0.5
69.03421	7.8
69.07035	0.3
71.01352	0.3
71.04987	0.8
71.63571	0.3
73.02908	0.9
76.53901	0.1
77.35469	0.1
77.80888	0.1
79.05492	0.4
81.03409	3.0
81.07053	0.5
83.01324	0.2
83.04950	0.1
83.08600	0.2
85.02895	24.5
85.06535	0.3
86.03211	0.2
87.04457	0.8
91.03947	1.0
91.05473	1.3
93.07044	0.3
94.17363	0.1
95.04967	0.4
95.08586	0.6
97.02881	7.3
97.06541	0.2
99.04441	1.4
101.02358	0.4
103.03953	0.2
105.07006	0.3
107.08582	0.5
109.02872	3.0
109.10147	0.3
111.04401	0.2
115.03873	0.2
117.03372	0.3
119.04931	1.0
119.08588	0.4
121.06519	0.2
121.10175	0.2
123.04428	0.4
123.11640	0.2
127.03904	5.4
133.10062	0.3
134.03638	0.3
135.11667	0.3
137.05998	0.3
141.05452	0.3
145.04938	4.7
145.10162	0.2
147.04393	2.1
147.11627	0.2
149.06012	0.2
151.03925	0.3
151.07440	0.2
153.01929	0.2
161.13071	0.1
163.03912	0.3
163.06042	0.8
163.07364	0.2
163.11131	0.2
165.05444	0.8
167.07042	0.4
175.03867	0.7
177.05403	0.2
181.04968	0.3
183.02791	0.3
189.16356	0.2
191.03352	1.0
195.02881	0.2
195.08084	0.2
197.06097	0.1
207.06578	1.0
208.03622	0.2
209.04404	1.2
211.07704	0.2
223.07452	0.2
225.05403	0.2
236.45876	0.2
239.07031	0.3
240.07831	0.3
251.06981	0.3
267.06522	1.3
268.07324	0.6
278.05740	0.3
279.06497	0.4
283.09750	0.3
285.07553	0.4
295.06149	0.8
295.09052	0.2
296.06757	2.3
298.04813	0.3
306.05356	0.3
307.05951	0.4
309.07675	0.3
311.05475	0.3
311.09100	1.4
313.07031	0.4
321.07550	0.6
323.05444	1.4
324.06241	32.7
325.06619	1.2
327.08667	0.4
337.07010	0.7
339.08585	100.0
340.08914	3.1
345.09641	0.2
351.08679	0.3
357.09641	25.9
358.09952	0.9
363.08398	0.2
369.09335	0.2
381.09662	1.0
395.14868	4.2
405.09589	0.3
411.14218	0.2
413.15891	78.4
414.16257	4.0
501.13513	0.6
519.14893	1.9
555.81995	0.2
557.20129	0.3
575.21161	7.3
576.21307	0.5
588.72949	0.2
648.77148	0.2
708.32288	0.2
766.37598	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	735.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01880	0.5
55.05494	0.2
56.19242	0.1
57.03436	1.2
59.04989	0.2
61.02637	0.1
61.02925	1.5
65.03933	0.2
67.05508	0.5
69.03426	5.8
69.07048	0.3
70.06573	0.3
70.11888	0.1
71.01340	0.2
71.04978	0.7
71.62967	0.2
72.08138	0.2
73.02911	0.8
75.62025	0.1
76.34599	0.1
79.05482	0.4
81.02976	0.1
81.03413	2.0
81.07040	0.5
83.01311	0.2
83.04968	0.2
83.08619	0.1
84.08112	0.2
85.02901	11.2
85.06513	0.2
86.03226	0.1
86.06033	0.1
86.09710	0.1
87.04472	0.9
91.03938	0.4
91.05486	0.5
93.03357	0.1
93.07023	0.4
95.04955	0.4
95.08591	0.5
97.02888	4.2
97.06512	0.2
99.04450	0.8
99.08112	0.1
100.11235	0.1
101.02351	0.2
105.03387	0.1
105.07021	0.4
107.04919	0.1
107.08560	0.4
109.02874	1.7
109.06509	0.2
109.10131	0.4
109.26228	0.1
111.04408	0.1
111.08060	0.2
115.03920	0.2
115.05447	0.1
117.03362	0.2
117.07007	0.1
119.04939	0.5
119.08536	0.3
121.02821	0.2
121.06452	0.2
121.10121	0.3
123.04417	0.2
123.08021	0.1
123.11712	0.2
127.03911	2.9
128.06145	0.1
129.73665	0.1
131.04893	0.2
131.08568	0.2
133.06412	0.1
133.10135	0.2
134.03590	0.2
135.04410	0.2
135.08025	0.1
135.11693	0.2
137.02339	0.1
137.05937	0.4
137.09509	0.1
139.03824	0.1
145.02841	0.4
145.04947	1.0
145.10080	0.3
147.04413	1.1
147.08054	0.1
147.11691	0.2
148.04793	0.2
149.05988	0.3
151.03923	0.5
153.05473	0.1
155.08524	0.1
157.06494	0.1
159.04413	0.1
159.11705	0.2
161.05923	0.3
163.03859	0.2
163.11229	0.1
165.01938	0.1
165.09132	0.1
167.07027	0.5
170.07231	0.1
173.05946	0.1
173.09505	0.1
173.13194	0.2
175.03784	0.1
175.07471	0.2
175.14879	0.1
176.74081	0.1
177.05466	0.7
179.03407	0.1
181.04939	0.2
183.08058	0.1
187.07547	0.1
193.08597	0.2
195.06526	0.2
195.08214	0.2
198.06673	0.2
201.05521	0.3
203.03363	0.1
203.06967	0.2
205.05121	0.1
205.46880	0.1
207.06543	0.2
207.10135	0.1
211.07605	0.2
213.05652	0.5
221.08064	0.2
223.07564	0.2
223.09602	0.1
225.05447	0.1
226.06219	0.3
227.06999	0.5
229.04935	0.2
229.08580	0.2
233.04509	0.2
243.06544	0.1
244.07333	0.1
245.08037	0.2
247.05949	0.6
255.06549	0.1
261.09344	0.1
262.08386	0.4
265.08621	0.1
267.06494	0.2
269.09515	0.1
271.06000	0.2
279.06628	0.3
279.10077	0.1
285.07571	0.1
287.10532	0.2
289.08649	0.2
291.06403	0.1
293.08054	0.2
295.06299	0.2
295.09570	0.1
303.10220	0.6
304.10892	0.2
305.08069	0.2
305.11652	0.2
307.06229	0.1
307.09570	0.4
308.06805	0.3
308.10080	0.1
309.07239	0.2
311.05246	0.1
311.09012	0.1
313.06955	0.4
315.10190	0.2
317.07962	0.2
318.08838	0.1
319.09363	0.1
321.07483	0.5
321.11206	0.5
322.08374	0.1
322.11981	0.3
323.05460	0.2
323.09149	0.9
324.06213	4.0
325.06995	0.3
326.07800	0.2
327.08597	0.3
331.09589	0.4
332.10504	0.5
333.11169	0.3
333.16925	0.3
335.05341	0.1
335.09036	1.3
336.06253	1.4
336.09790	0.2
337.07013	0.7
337.10464	0.2
338.07758	0.2
339.08609	8.7
340.08932	0.3
343.09674	0.6
345.07529	0.3
346.08051	0.2
347.09052	0.1
349.07010	0.5
349.10715	0.4
350.07758	0.5
350.11517	0.3
351.08582	2.2
351.12323	0.3
353.10159	0.4
357.10651	0.1
359.09015	0.6
359.13016	0.1
360.09903	2.9
361.10751	0.7
363.08609	4.1
363.12994	0.2
364.09302	0.8
365.09872	0.7
365.14084	0.2
369.09558	0.2
375.12271	5.3
376.12875	0.2
377.10049	1.0
377.13916	0.1
378.10971	9.4
379.11417	0.5
381.09692	0.3
391.11823	0.3
393.13297	43.8
394.13751	1.4
396.12048	0.4
409.12933	0.2
411.14343	100.0
412.14731	3.7
417.13156	0.1
429.19528	0.1
435.14285	0.7
447.20068	0.5
453.15329	0.6
465.21112	0.2
555.18585	2.1
569.88794	0.1
573.19653	5.0
574.19550	0.2
600.04932	0.1
710.36017	0.1
735.25983	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	735.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	2.5
55.01822	0.7
55.05499	1.2
57.03378	1.3
58.19285	0.2
59.04958	0.3
59.06062	0.2
61.02864	1.0
65.03921	0.3
67.05499	1.3
69.03422	9.1
69.03765	0.4
69.07018	0.8
70.06548	0.3
71.04990	1.8
73.02911	1.5
79.05421	0.6
81.03409	9.7
81.03850	0.4
81.07041	1.7
83.01270	0.3
83.04976	1.2
83.08597	0.3
84.08070	0.6
85.02895	17.8
85.03385	0.6
85.06468	0.6
86.03197	0.3
87.04395	0.8
91.03916	0.3
91.05475	1.8
93.07014	1.3
95.04935	1.3
95.08605	1.3
97.02881	10.6
97.06449	0.3
99.04443	12.9
99.08021	0.5
103.03928	9.1
103.05405	0.4
105.06953	1.0
107.04868	0.6
107.08596	1.1
109.02869	8.8
109.06438	0.7
109.10094	1.0
111.08018	0.2
117.06970	0.4
117.09072	0.6
119.04961	1.0
119.08501	0.8
119.09316	0.2
121.02789	0.5
121.06440	0.4
121.10059	0.9
122.03590	0.2
122.09497	0.2
123.04332	0.8
123.07996	0.3
123.11621	0.4
126.09071	0.5
127.03901	22.6
127.11027	0.2
128.06146	0.3
128.07033	0.4
129.06871	0.4
131.04884	0.5
131.08519	0.3
133.02765	0.7
133.06458	0.3
133.10056	0.6
135.04366	0.5
135.08006	0.3
135.11623	0.6
137.02252	0.4
137.05965	1.4
137.09496	0.4
138.05391	0.3
139.03810	0.3
140.07008	0.4
143.08470	0.7
145.04938	7.8
145.06197	0.4
145.10027	0.9
146.10406	0.2
147.04384	3.4
147.08035	0.2
147.11591	0.4
148.04742	0.3
149.05887	0.6
149.09579	0.3
150.03079	0.7
151.03876	1.4
151.07483	0.3
153.01836	0.4
154.08537	0.5
157.06384	0.4
157.10033	0.5
159.04359	0.6
159.07957	0.5
159.11623	0.4
161.05890	0.7
163.03865	0.5
163.05907	1.6
163.07286	0.4
163.11134	0.3
163.14609	0.3
165.05487	2.2
165.09059	0.3
165.12695	0.2
167.06996	1.3
169.04956	0.2
171.07964	0.7
173.05959	0.4
173.09514	0.4
173.13150	0.4
175.03809	0.7
175.11096	0.3
177.05389	0.9
177.12654	0.2
179.03320	0.5
181.04858	0.6
181.06308	0.2
185.05962	0.4
185.09651	0.4
187.03706	0.2
187.04224	0.2
187.05946	2.4
187.07468	0.4
189.05424	0.4
191.03328	0.7
191.06960	0.3
191.14351	0.2
193.08568	0.3
195.08012	0.2
199.07503	0.5
200.08208	0.6
201.09076	1.4
203.06940	0.7
205.06833	0.3
207.06413	0.7
209.04272	0.3
213.05365	0.4
213.09015	0.8
215.03339	0.3
227.06995	2.9
229.04935	1.3
229.08517	0.5
231.06461	0.7
237.09305	0.2
241.08629	0.2
243.06277	0.3
244.07193	0.6
245.08003	0.9
247.05905	0.5
251.07042	0.3
253.04788	0.3
255.06494	0.4
267.06442	0.4
271.08118	1.0
279.06638	0.4
279.09991	0.5
283.09668	0.3
285.07471	0.7
287.10443	0.3
289.08664	0.5
289.25021	0.3
293.07886	0.6
293.11621	0.3
295.06000	1.0
296.06732	0.5
298.10681	0.5
301.91687	0.2
307.06091	0.5
307.09601	1.6
307.26300	0.5
308.06848	0.6
309.07361	0.4
310.04700	0.3
310.07999	0.3
311.09003	0.4
313.06992	0.7
317.07932	0.4
318.08994	0.6
321.07425	1.2
321.11191	1.0
322.08325	0.4
322.11917	0.5
323.05560	0.3
323.09006	1.1
324.02557	0.4
324.06244	5.3
325.07028	1.2
325.10413	0.4
327.08554	1.0
331.09500	0.3
332.10382	0.6
333.11130	0.8
335.05270	0.5
335.09109	6.3
336.06079	1.2
336.09518	0.4
337.07034	0.8
337.10645	0.4
337.14255	0.5
339.08591	14.0
340.08896	0.4
345.07510	0.7
346.08258	1.2
347.12744	0.4
349.06894	1.2
349.10690	1.0
350.07678	1.0
350.11426	0.7
351.08545	3.2
351.12149	0.5
352.08954	0.3
357.09705	1.3
358.02979	0.2
359.09030	0.3
360.09814	2.4
361.10547	1.4
363.08548	8.8
363.12900	0.5
364.09137	0.9
364.12991	0.4
365.09921	0.8
365.14026	1.1
367.11713	0.6
375.12311	3.5
377.10107	1.9
378.10944	11.6
379.11609	0.9
389.12292	0.3
393.13263	86.3
394.13626	1.7
411.14322	100.0
412.14844	2.0
429.15396	56.7
430.15665	1.0
431.32175	0.3
529.16626	0.3
555.18121	0.3
573.19189	0.7
579.53339	0.3
591.20392	0.4
669.23920	0.4
681.21722	0.4
699.22845	0.7
717.24036	1.1
735.34753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01872	0.6
57.03424	1.5
58.33473	0.3
58.97851	0.3
61.02912	1.1
61.05875	0.3
65.03925	0.4
67.05497	0.9
69.03070	0.4
69.03426	5.7
69.07058	0.8
70.06580	0.6
71.01347	0.5
71.04989	0.8
71.62836	0.6
72.08123	0.4
73.02908	1.2
79.05485	0.5
81.03413	3.3
81.07063	1.9
82.29118	0.3
83.08624	0.3
84.08136	0.3
85.02901	12.6
85.06552	0.4
86.57928	0.3
87.00814	0.8
87.04469	0.7
91.03936	0.5
91.05479	1.1
93.03365	0.3
93.07039	1.0
95.04958	0.6
95.08595	1.2
97.02898	4.0
97.06494	0.5
99.04452	1.4
105.07069	1.4
107.05026	0.6
107.08593	0.7
109.02893	2.3
109.10151	0.9
119.04920	0.6
119.08568	1.0
121.06553	0.4
121.10147	0.6
123.04436	0.6
127.03906	4.8
129.07014	0.3
133.10127	0.6
134.03604	0.3
135.04366	0.3
137.05978	0.9
145.04990	2.0
145.05954	0.3
145.10103	0.5
147.04433	1.4
149.06042	0.4
149.13254	0.5
151.03944	0.3
151.07492	0.5
159.02957	0.3
159.11752	0.4
161.09637	0.3
163.04083	0.3
167.07059	1.4
171.06581	0.4
175.03885	0.8
175.07503	0.4
181.04956	4.6
195.02864	0.3
201.05450	0.4
201.16360	0.3
207.06555	1.0
213.05537	0.6
227.06985	0.7
247.05991	0.6
289.08661	0.5
293.04532	0.4
293.08182	0.5
296.07050	0.4
297.07602	0.5
303.10080	0.4
309.07568	0.6
310.04651	3.2
311.05560	0.4
312.05927	0.4
313.07269	0.3
321.07675	0.5
321.11209	0.4
322.04852	1.0
323.09222	0.5
324.06213	4.0
325.07025	12.4
326.07578	0.6
335.09189	1.3
336.06195	1.2
336.09818	0.4
337.07013	3.4
338.07648	0.5
339.08615	7.1
343.09561	0.5
347.08878	0.4
349.06934	0.5
349.10547	0.9
350.07620	0.7
350.11639	0.4
351.08606	1.6
351.12323	0.5
353.09930	0.8
355.08179	1.5
359.09042	0.6
360.09811	2.6
362.07758	0.4
363.08594	3.3
364.09378	0.8
365.10184	1.3
365.14188	0.4
367.11755	1.8
369.09543	0.5
375.12231	4.1
377.10080	1.2
378.11002	7.8
379.11566	0.8
381.13361	2.0
383.11285	0.4
393.13306	29.6
394.13651	0.8
395.10910	2.2
396.12177	0.8
407.40088	0.3
411.14359	100.0
412.14841	3.1
413.12296	0.9
451.17386	2.6
453.15680	0.4
457.18314	0.4
469.18326	1.9
487.19522	1.2
573.19666	0.9
629.18823	1.9
717.23621	1.3
735.23828	0.8
735.36206	0.8
747.08057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.2
55.01844	1.6
55.05503	16.8
57.03435	26.0
57.07060	4.6
61.02922	8.2
65.03930	2.6
67.05166	2.3
67.05498	29.8
69.03423	21.7
69.07063	26.4
71.01041	1.3
71.01356	11.3
71.04991	1.9
71.08602	1.7
71.63809	1.8
71.64269	1.7
73.02912	55.6
79.05487	14.9
81.03402	4.1
81.06567	2.7
81.07051	49.7
83.04954	2.1
83.08614	16.1
85.02896	41.3
87.04457	2.3
91.05470	19.3
93.07036	34.3
95.01325	8.9
95.04952	5.7
95.08600	97.9
97.02880	40.7
97.10111	7.7
97.46720	1.4
99.00786	1.6
103.03913	3.2
105.07022	37.3
106.68943	1.1
107.04954	3.0
107.08585	59.9
109.02877	2.5
109.06526	3.1
109.10149	72.6
111.08056	1.6
111.11698	6.3
113.02341	4.7
114.55202	1.1
115.03920	24.6
117.06996	4.6
119.08569	58.2
121.10132	54.0
121.11013	2.6
123.04415	4.5
123.08034	1.8
123.11700	30.5
125.02287	1.6
127.03938	2.7
129.06993	1.9
131.03406	3.3
131.08569	9.6
133.04956	4.8
133.10118	45.5
135.04318	1.5
135.08092	1.8
135.11681	42.3
137.13260	10.8
139.03893	3.4
141.01828	27.6
143.08556	4.1
145.10104	22.7
147.11684	42.3
149.04472	1.4
149.05974	1.6
149.13248	27.2
151.03911	1.2
151.14856	2.1
157.10114	3.9
159.02875	7.0
159.11682	25.6
161.13245	40.8
163.03891	1.6
163.14821	27.6
171.11641	3.4
172.12497	1.4
173.13266	17.0
175.14806	24.8
176.22137	1.4
177.03909	3.0
177.16379	38.7
179.17937	4.0
185.13248	3.8
187.14801	23.2
189.16368	100.0
190.16721	1.8
191.17934	69.2
199.06039	1.9
199.14784	3.3
201.16377	30.7
203.17943	45.7
205.19507	20.9
207.17502	2.8
213.16380	5.0
215.17953	24.2
217.07031	5.8
217.19485	43.9
219.21060	9.7
221.19170	2.0
227.17957	4.7
229.19482	20.0
231.21014	14.4
241.19516	4.1
243.21066	9.4
245.22586	6.4
255.05115	1.6
255.21005	6.4
257.22549	9.6
259.24020	2.2
269.22690	7.9
271.24194	11.7
273.06036	2.7
283.24139	3.5
291.06995	1.3
295.23282	1.4
297.25729	17.1
309.25635	1.5
311.27063	2.0
337.29071	1.5
351.30386	1.8
353.10101	1.3
363.12344	2.3
365.10202	1.3
365.31995	3.6
381.13409	2.0
407.36679	75.2
408.37015	2.4
425.37735	7.8
733.44379	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	733.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.05508	15.8
57.03430	25.3
57.07067	6.5
61.02923	7.2
65.03925	2.6
67.05496	31.9
69.03425	20.9
69.07055	26.8
71.01348	7.8
71.08620	2.2
73.02911	45.6
79.05478	14.3
81.03418	4.8
81.07050	56.9
83.08599	18.2
85.02895	45.0
87.04488	4.2
91.05468	16.5
93.07032	38.7
93.23898	2.4
95.01327	11.2
95.04956	3.3
95.08598	100.0
97.02885	41.3
97.10163	8.2
98.21558	4.6
99.00790	2.8
103.03923	3.6
105.07021	37.7
107.08580	58.7
109.06514	4.0
109.10146	78.0
111.11681	5.6
113.02386	3.5
115.03929	20.8
117.07014	6.3
119.08566	65.5
121.10133	54.3
123.04460	3.3
123.11679	28.4
127.03905	3.8
129.07002	3.2
131.08559	8.1
133.04962	5.7
133.10123	48.3
135.11671	43.1
137.13252	9.8
139.03934	3.8
141.01819	30.3
143.08606	2.4
145.10121	21.9
147.04367	3.4
147.11674	39.9
149.13277	24.2
151.14857	2.8
157.10126	4.4
159.02965	5.5
159.11681	23.7
161.13255	37.9
163.03912	2.7
163.14813	27.0
171.11716	2.8
172.12511	2.5
173.13268	16.5
175.14799	23.0
177.03944	4.1
177.16368	39.7
179.17929	3.8
187.14816	20.2
189.16359	86.3
191.17940	72.2
201.16348	32.4
203.17947	44.6
205.19545	22.7
206.04268	2.2
207.17455	5.2
213.16287	4.2
215.17903	21.0
217.07126	4.4
217.19499	44.3
219.21109	8.0
229.19518	20.9
229.21609	3.5
231.21100	16.7
241.19620	4.4
243.21103	11.0
245.22690	4.4
255.21080	6.0
257.22662	13.3
267.15796	3.7
269.22623	4.9
271.24152	10.4
285.25641	2.5
297.07596	4.3
297.25723	15.4
320.63928	2.3
335.31198	2.4
367.11569	2.8
407.36719	78.7
425.37683	9.1
485.19794	2.4
489.43240	2.8
579.29169	2.5
733.23767	3.6
733.45074	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01868	1.5
55.05504	12.6
57.03431	21.5
57.07058	3.8
61.02908	4.9
65.03926	1.6
67.05161	2.2
67.05499	23.4
68.99758	1.3
69.03425	16.2
69.07059	26.8
71.01343	10.9
71.04980	1.6
71.38544	1.2
71.62611	1.0
72.08149	2.0
73.02910	47.3
73.79769	1.1
79.05485	13.2
81.03408	3.7
81.07049	38.4
83.08607	12.3
85.02898	39.5
85.06483	1.3
91.05461	13.7
93.06462	1.8
93.07037	28.3
95.01313	8.4
95.04958	3.8
95.08595	100.0
97.02882	38.0
97.03506	2.2
97.06516	1.8
97.10154	6.7
99.04430	2.9
103.03948	4.3
103.05459	1.2
105.07011	31.5
107.04985	1.8
107.08582	53.5
109.02865	2.7
109.06496	1.7
109.10145	77.7
111.11710	6.6
113.02338	3.7
115.03920	23.5
117.07004	4.3
119.08568	55.3
121.10130	45.2
123.00786	1.3
123.04434	1.3
123.08039	1.9
123.11694	29.5
125.02341	2.8
127.03873	6.5
129.07008	2.3
131.03397	3.0
131.08566	10.6
133.04930	4.1
133.10117	42.0
135.08025	1.9
135.11674	38.8
137.02353	1.4
137.06013	1.5
137.13249	8.8
137.34526	1.3
139.03874	1.8
141.01813	26.9
143.08524	3.5
145.10110	22.1
147.04439	2.4
147.11676	35.3
149.13252	24.2
151.03893	1.8
151.14799	2.8
157.10098	1.8
159.02887	6.2
159.11674	24.9
161.04446	1.4
161.13240	36.8
163.07661	1.3
163.14798	22.1
167.07048	1.8
171.11655	2.6
173.13232	11.9
174.13994	1.8
175.14827	22.3
177.05392	1.5
177.16365	31.1
179.17931	2.6
185.13283	2.0
187.14804	22.1
189.16357	84.4
191.17926	68.8
199.14838	2.4
201.16380	25.1
203.17921	46.9
205.19514	17.3
207.17435	4.4
213.16342	3.6
215.17923	21.5
217.07030	5.0
217.19487	42.1
219.21095	8.7
227.17960	4.5
229.19466	18.5
231.21030	12.3
241.19536	3.2
243.21056	9.8
245.22664	5.9
254.23456	1.3
255.05032	2.6
255.21045	5.9
257.22589	7.4
259.24179	1.3
269.22635	6.0
271.24167	8.6
273.06009	2.0
283.24133	3.0
285.25668	1.7
297.25693	13.7
315.26929	1.5
325.06870	1.5
337.07318	1.4
337.28772	2.0
363.08878	1.5
365.32227	2.3
407.36700	67.7
408.37027	1.9
411.14270	1.8
425.37738	6.4
580.23108	1.3
600.66425	1.5
733.23895	2.7
733.44427	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	733.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.05510	12.7
57.03439	20.5
57.07056	4.6
61.02911	4.9
64.94740	1.3
66.00108	1.5
67.05502	27.2
69.02190	1.4
69.03114	1.8
69.03426	17.4
69.06707	2.1
69.07060	25.0
71.01337	10.7
71.04967	2.2
71.64206	2.4
73.02911	47.2
79.05487	14.1
80.48460	1.5
81.03392	6.1
81.07052	42.2
83.04971	2.8
83.08613	9.4
85.02903	33.5
91.05473	18.1
93.07032	32.3
95.01311	7.5
95.04933	3.3
95.08598	100.0
97.02271	2.7
97.02879	39.1
97.10161	7.0
105.07028	34.1
105.07683	0.9
107.04950	2.4
107.08588	50.6
109.02869	2.8
109.06494	2.2
109.10148	63.9
111.04453	2.2
111.11705	6.4
115.03916	20.9
117.07027	4.0
119.08572	49.2
121.10133	45.5
123.04420	3.8
123.11702	27.5
125.02409	2.0
125.09668	1.7
127.03902	3.4
128.06152	2.2
129.06996	3.0
131.03404	2.7
131.08543	8.1
133.04929	4.9
133.10124	43.3
135.11684	33.3
137.13258	7.9
139.03941	1.9
141.01828	24.6
143.08531	2.0
145.10100	16.0
147.11673	33.3
149.09612	1.8
149.13239	19.3
151.03825	2.4
151.14825	2.7
154.01152	1.9
157.10205	3.8
159.02910	7.2
159.11674	21.5
160.12415	2.2
161.13242	30.7
163.14815	18.8
171.11650	4.4
173.13275	11.7
174.13933	2.4
175.14830	18.6
177.03914	2.9
177.16373	27.5
179.17918	3.8
187.14790	20.9
189.16370	76.6
190.16585	1.6
191.17937	60.3
199.14868	3.5
201.16367	24.6
203.17931	39.1
205.19489	16.8
206.21582	1.5
207.17442	5.0
213.16327	3.5
215.17931	19.8
217.07100	5.3
217.19493	34.0
219.21069	8.1
227.17905	5.3
229.19478	14.9
231.21094	9.3
239.18095	1.6
241.19417	3.1
243.21072	8.5
245.22676	3.7
255.05070	1.5
255.21086	4.8
257.22739	4.2
269.22610	6.4
271.24048	8.7
273.06018	2.4
283.06213	2.2
283.24225	2.6
285.25748	1.7
297.25824	12.1
351.30444	2.0
365.10223	1.9
365.31750	1.9
407.36688	66.2
407.42120	3.3
415.24619	1.7
425.37683	6.9
511.62946	1.8
733.18817	1.9
733.45197	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	733.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
54.85395	0.6
55.01862	2.0
55.05251	1.2
55.05507	14.4
57.03433	24.0
57.07069	4.4
59.04990	0.6
61.02922	7.5
65.03929	1.4
67.05499	25.3
69.03062	1.2
69.03424	19.0
69.07063	28.5
71.01353	12.6
71.08627	1.3
73.02910	51.1
75.45803	0.5
77.13182	0.5
79.05483	12.9
81.03417	1.8
81.07052	43.8
83.04984	1.5
83.08611	15.4
85.02898	37.7
85.10115	0.8
87.04455	2.0
91.04886	0.7
91.05466	14.8
93.07036	33.3
95.01322	9.1
95.04970	2.7
95.08599	100.0
96.08924	1.3
97.02885	42.4
97.06521	1.2
97.10164	9.1
98.21507	1.3
99.00809	1.5
99.04480	0.8
99.93374	0.6
101.02380	1.2
103.03926	3.5
105.07020	36.4
107.04911	0.9
107.08585	57.2
109.02867	1.6
109.06516	0.9
109.10146	71.0
110.10484	1.0
111.04402	1.2
111.08105	1.0
111.11723	5.6
113.02345	2.7
115.03921	23.1
117.07001	3.8
119.08569	55.7
121.06499	0.8
121.10132	51.1
122.10518	0.6
123.00774	1.4
123.04412	2.1
123.08082	0.8
123.11699	29.9
125.02347	2.0
125.13267	0.8
127.03895	2.9
128.06142	0.6
129.06996	1.3
130.07689	0.9
131.03407	2.4
131.08562	8.8
133.04947	5.6
133.10120	44.9
135.04520	0.7
135.11685	40.7
137.02310	0.8
137.13240	9.8
139.03894	2.5
141.01820	27.6
143.03381	1.1
143.08563	2.5
144.09325	1.5
145.10109	20.4
146.10814	1.1
147.04356	0.9
147.11674	39.4
149.04474	1.4
149.13245	25.8
151.03908	1.3
151.11130	1.4
151.14754	1.9
153.05524	0.7
155.03336	0.7
157.04987	1.3
157.10088	3.4
159.02855	6.4
159.11681	24.4
160.12463	1.4
161.04456	1.5
161.13243	37.7
163.03888	1.1
163.14806	24.4
165.16328	1.0
171.11646	4.0
172.12450	0.9
173.13263	14.4
174.14021	1.4
175.14813	25.0
177.03943	2.7
177.16370	39.8
179.17937	5.1
181.04955	0.7
185.13272	3.1
187.14806	20.7
188.15651	0.6
189.16367	83.1
190.16656	1.0
191.17935	69.4
192.18283	0.9
199.06030	1.0
199.14813	2.9
201.16371	27.5
203.05232	0.6
203.17940	47.3
205.19501	21.4
205.21422	1.4
207.17487	4.8
213.16383	3.5
215.15837	0.9
215.17931	20.9
217.07095	5.4
217.19499	42.8
219.04939	1.2
219.21072	8.6
221.18974	2.0
227.17949	4.2
228.52863	0.6
229.19485	20.2
229.21741	1.1
231.21069	13.9
241.19493	4.0
243.21072	10.8
245.22652	6.0
255.04977	1.7
255.21036	6.4
257.22617	10.4
259.24130	1.7
269.22647	6.7
271.24222	9.6
273.05963	1.9
273.25623	0.8
283.24243	3.8
285.25638	1.5
291.06906	1.4
297.25751	15.9
299.27551	1.0
311.27228	1.5
313.29327	0.7
315.27011	0.9
323.27219	1.7
325.28595	0.9
337.28384	1.4
351.30423	1.7
365.31949	2.7
407.36707	76.2
408.36798	1.1
425.37753	8.6
429.12735	0.7
733.44208	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	732.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
57.70069	0.4
65.34013	0.4
67.05497	0.6
73.06559	0.4
77.03936	0.7
79.05481	4.7
81.03351	0.4
81.07059	0.4
87.04461	3.4
89.06028	22.4
89.12009	0.3
91.05470	1.7
93.07045	1.6
95.04973	2.3
103.05469	3.7
105.07024	100.0
106.07397	0.6
107.07070	1.3
119.08593	1.0
121.06500	7.9
129.07024	0.8
130.08633	1.0
131.07039	1.5
131.08568	3.2
132.31476	0.4
133.08601	18.6
145.06468	0.4
147.08038	2.7
149.09564	0.9
164.99060	0.3
165.09128	1.8
175.09660	1.2
175.11116	0.4
177.11206	6.7
209.09671	0.4
209.11632	0.7
209.13353	0.5
211.13342	0.5
221.13861	1.1
223.11148	0.8
225.12738	5.3
227.12793	0.5
238.27043	0.4
239.14682	0.5
247.40865	0.5
251.14342	5.7
253.16010	0.9
269.15344	3.5
271.15363	0.6
283.17505	0.8
295.17038	0.7
313.18073	2.4
315.14084	0.4
315.18027	1.0
327.17389	1.0
329.18936	3.8
359.20615	0.7
373.21683	2.9
375.21649	0.4
403.23221	5.6
417.24414	0.6
419.24365	1.0
463.26834	1.2
477.27838	1.7
502.68134	0.4
507.29504	15.5
611.35822	5.1
730.22650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03947	0.4
65.12038	0.4
67.05505	0.5
69.03410	0.4
69.07051	0.4
69.56953	3.3
77.03934	0.4
79.05474	4.2
83.56884	0.4
87.04469	4.2
88.08793	0.3
89.06022	23.1
91.05473	2.2
93.07034	1.6
95.04943	2.2
103.05455	4.1
105.07018	100.0
106.07330	1.3
107.07072	1.4
119.08572	0.6
121.06496	8.2
129.06976	0.9
130.08624	1.2
131.07022	1.1
131.08563	3.5
133.08585	18.3
147.08049	1.8
149.09634	0.7
165.09099	1.9
169.10147	0.4
175.09683	0.9
177.11206	7.0
185.09862	0.4
209.11600	0.7
209.13429	0.5
221.13832	1.6
223.11118	0.5
225.12738	5.5
239.15002	0.5
247.05869	0.4
251.14351	4.7
253.15974	0.5
269.15317	3.3
271.15466	0.6
283.17542	0.5
313.18005	2.6
315.17914	1.6
327.17236	0.9
329.18936	3.8
355.21045	0.5
359.20895	0.4
373.21613	2.9
401.23309	0.5
403.23193	5.1
419.24396	1.0
463.26996	1.1
477.27734	1.2
507.29514	17.6
508.29825	0.6
535.40295	0.4
611.35632	4.3
703.22003	0.5
733.41107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.0
51.50342	0.5
53.03947	4.1
55.01857	2.1
55.05507	3.9
57.02595	0.6
57.03434	3.6
57.07061	0.7
59.04997	1.0
61.02907	1.5
65.03912	1.3
66.04144	0.6
67.05495	5.2
68.99781	0.6
69.03423	10.3
69.07056	2.0
69.66575	3.9
70.06584	1.5
71.04984	1.7
72.08165	1.3
73.02915	0.7
75.04480	4.2
75.24783	0.5
75.99379	0.6
77.03908	1.0
79.05486	21.7
81.03407	5.2
81.07047	11.7
83.04971	1.7
84.08128	1.2
85.02891	6.2
85.06548	0.8
87.00834	0.7
87.04452	1.4
91.05470	30.7
93.03337	0.7
93.07033	100.0
94.07352	1.1
95.04964	14.6
95.08593	7.6
97.02877	5.9
97.06512	4.4
97.10169	0.6
98.09676	1.8
99.04438	2.7
103.03956	0.8
103.05455	2.8
105.03374	0.7
105.04527	1.6
105.07019	16.3
106.07829	0.7
107.04947	2.5
107.08585	14.4
108.49482	0.5
109.02874	5.7
109.06506	3.9
109.10141	1.8
110.03154	0.6
111.04430	2.4
111.08062	6.3
113.05970	0.7
115.05449	0.9
116.06222	2.1
117.06999	1.0
119.04945	8.6
119.08571	5.3
121.02861	12.5
121.06516	6.6
121.10130	62.0
122.10471	1.0
123.04443	1.6
123.08075	4.1
123.11713	2.0
125.06009	1.4
125.09612	0.7
127.03906	18.7
128.07094	0.9
129.06969	1.4
131.04926	1.8
131.08568	8.8
133.06477	1.8
133.07567	1.0
133.10126	2.4
135.04393	0.9
135.08076	1.1
135.11652	0.7
137.02374	1.3
137.05978	6.4
137.09622	1.4
138.09129	1.3
139.03918	0.8
139.11142	3.0
141.05447	0.6
143.08487	0.9
145.02846	3.5
145.04970	1.6
145.06532	0.7
145.10104	1.8
147.04382	8.8
147.07988	0.7
147.11678	0.8
149.05936	1.1
149.09607	15.8
149.13281	0.7
150.10005	0.5
151.03918	1.3
151.07523	0.8
153.05441	0.6
157.10132	0.9
159.04456	0.7
159.11674	1.0
161.05969	2.3
163.03891	2.4
163.07584	1.3
165.05507	0.8
166.08652	3.4
167.03423	0.8
167.07018	5.4
167.09331	0.7
167.10669	3.6
168.07428	1.4
173.13277	0.6
175.03873	9.7
175.11098	0.7
175.14853	0.8
177.05484	3.0
177.09161	0.7
179.03378	1.3
179.07079	1.0
181.04939	1.3
184.09705	0.7
187.03870	0.6
187.06068	0.7
189.01848	2.0
191.03387	3.6
191.06926	0.9
191.14322	0.7
193.08629	1.3
195.02953	1.9
195.06490	0.6
197.06029	0.6
201.01877	0.6
203.03409	1.8
203.07002	0.9
205.04976	0.9
205.08632	0.7
207.02992	3.6
207.06514	18.9
209.04460	2.2
211.07657	0.7
213.05698	0.5
215.03374	1.6
217.05006	0.9
219.02869	3.6
221.04445	1.6
225.07457	1.2
229.04945	1.2
231.02884	1.1
233.04506	0.9
241.05014	0.9
243.44731	0.7
245.04567	0.9
251.07175	1.1
255.06593	2.0
265.08301	0.7
267.06232	1.3
268.07303	2.2
269.08032	0.7
271.05795	2.8
273.04236	0.9
279.06528	2.6
280.07214	0.6
281.08017	3.5
283.06036	1.6
284.06689	1.0
285.07590	0.6
291.06656	1.3
293.08051	1.5
294.05267	5.9
295.06000	19.2
296.06671	2.5
297.07535	3.0
305.08002	0.8
307.05984	26.8
307.09274	1.0
308.06708	9.8
309.07507	14.9
311.05753	0.6
311.09384	0.6
311.14886	6.4
313.07043	3.7
317.08115	0.8
319.05948	5.2
320.06830	1.9
321.07532	11.9
321.11093	1.3
322.08463	1.6
323.05646	0.9
323.09192	2.0
325.07028	14.3
326.07620	0.8
329.07922	0.7
329.15897	7.5
333.07465	4.5
334.08218	0.9
335.05359	1.7
335.09158	3.5
336.06070	1.3
337.07010	44.8
339.08640	2.1
341.06421	0.7
343.08066	0.7
345.07571	2.3
347.05396	0.8
347.09012	2.2
349.02817	0.5
349.06949	10.8
349.10828	1.0
350.07965	1.2
351.08478	5.6
355.08133	6.6
359.08994	0.8
360.06113	0.6
361.06964	6.9
361.11017	0.6
363.08585	5.3
365.10403	1.0
367.08005	6.2
367.11987	0.7
369.11829	1.7
373.07141	2.8
375.08765	3.3
377.06421	0.7
377.10596	1.0
379.08038	17.2
379.12534	1.0
380.08368	0.7
385.09323	1.1
387.08432	1.4
391.08093	21.3
393.09586	1.6
397.09244	3.5
399.10770	6.8
403.08588	4.9
405.09674	1.6
409.09152	11.7
415.09528	1.0
421.09164	4.9
427.10211	85.5
428.10599	2.5
429.09723	1.0
433.09058	3.8
439.10324	3.0
445.11304	19.4
451.10187	5.4
457.11295	7.7
463.10144	1.3
467.14325	0.6
469.11237	10.0
475.11115	1.8
481.11203	4.5
485.15591	1.6
493.11060	5.6
499.12149	1.6
503.16974	3.0
511.12097	5.7
521.18219	1.1
526.64258	0.7
529.13416	7.4
539.16559	0.8
547.14374	12.8
557.17810	1.8
565.15778	0.8
575.19006	5.3
581.19232	1.1
593.20123	9.0
605.19989	2.6
611.21094	7.0
623.21143	11.8
641.22144	5.1
659.20831	0.8
677.22162	1.9
695.23181	6.2
713.24249	10.0
731.24744	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	731.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90525	0.1
52.24388	0.2
53.03940	1.3
55.01858	0.4
55.05491	0.3
57.03420	0.5
61.02911	0.3
69.03067	0.3
69.03425	3.4
69.82359	0.5
69.82787	0.7
70.06577	0.6
70.46275	0.1
71.01340	0.2
71.04996	1.2
71.44341	0.2
72.08141	0.9
73.02910	2.3
78.32436	0.1
78.50330	0.1
79.05489	0.4
80.32465	0.2
81.03409	4.9
81.07036	0.3
83.04974	0.9
84.08129	0.6
85.02900	9.1
85.06554	0.2
86.09708	0.3
87.04427	0.4
89.10801	0.2
91.05473	0.4
93.25174	0.2
94.04180	0.5
95.04971	0.3
97.02882	5.7
99.00796	0.2
99.04445	8.9
103.03934	4.7
105.56982	0.2
107.04947	0.3
109.02869	11.0
110.02392	0.4
111.04419	0.5
115.03927	0.3
119.04935	0.2
121.02895	0.4
122.03642	1.8
123.04428	0.6
125.02339	0.4
127.03905	100.0
128.04214	1.4
131.04881	0.2
135.04387	0.2
136.07614	0.2
137.05966	20.3
138.05493	0.3
138.06412	0.2
145.04950	7.8
147.04405	0.7
151.03963	0.3
152.07030	0.4
155.43025	0.2
157.04936	0.4
161.06001	0.4
163.06023	1.5
163.07428	0.3
165.05388	0.2
167.07021	2.0
168.07324	0.2
169.04909	0.8
177.05457	0.3
181.04921	0.2
187.06020	2.6
187.07527	0.3
188.07910	0.2
189.05429	0.3
191.06973	0.3
193.05054	0.3
199.05994	0.5
205.05215	0.3
205.07098	1.3
207.06509	0.4
209.08069	0.6
211.06006	0.7
211.09727	0.2
217.04886	0.3
229.07092	0.7
235.05975	1.0
247.08020	0.3
250.66649	0.2
253.07068	3.0
271.08121	6.0
272.08710	0.2
285.07513	0.2
289.09158	4.4
307.10242	0.6
313.09003	0.2
331.10315	0.2
341.14145	0.3
342.14163	0.7
349.11389	0.2
373.11206	0.2
379.10199	0.7
397.11270	1.2
415.12360	2.9
433.13376	1.4
451.14429	0.8
541.15448	1.0
569.29987	0.3
577.17444	1.0
731.31506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01872	0.5
55.05502	0.4
57.03431	0.7
59.05002	0.1
61.02940	0.4
67.01845	0.1
67.05511	0.1
69.03424	4.3
70.06570	0.1
71.01347	0.2
71.04641	0.1
71.04990	1.3
71.08306	0.2
71.08664	0.1
72.08122	0.1
73.02914	3.2
78.42149	0.1
81.03411	7.4
81.07068	0.1
83.01323	0.2
83.04969	0.8
84.41402	0.1
85.02899	10.7
87.03938	0.1
87.04462	0.7
91.03977	0.2
91.05477	0.1
95.04953	0.2
97.02882	7.4
99.04446	11.7
101.02396	0.2
103.03933	5.1
107.04945	0.1
109.02870	14.3
109.06538	0.2
110.02412	0.1
111.04450	0.2
115.03932	0.6
115.05469	0.1
117.05486	0.1
119.04893	0.2
121.02859	0.1
123.04424	0.2
125.02318	0.3
127.03906	100.0
128.04234	0.7
133.06487	0.1
135.04387	0.1
137.02327	0.8
137.05933	0.6
139.03873	0.1
145.04948	8.8
146.05312	0.1
147.04410	0.2
151.03918	0.2
153.01828	0.1
155.03358	0.2
157.04970	0.5
161.06012	0.1
163.03949	0.2
163.06021	1.1
163.07378	0.2
167.07057	0.1
168.06584	0.1
169.04926	1.0
173.04410	0.2
173.05907	0.1
175.03867	0.1
175.07451	0.2
177.05531	0.1
181.04938	0.2
187.06009	3.6
189.05490	0.3
191.07016	0.1
193.05043	0.2
199.06052	0.5
205.04944	0.3
205.07065	1.4
205.08594	0.1
207.06573	0.2
209.07999	0.6
211.06001	0.3
215.05487	0.1
217.05067	0.2
217.06920	0.2
229.07031	0.8
235.05977	1.0
245.04482	0.3
245.10147	0.1
247.08049	0.4
253.07059	2.4
263.05450	0.2
264.45682	0.1
265.10483	0.1
271.08118	6.1
272.76779	0.1
289.09174	2.3
299.07645	0.1
307.10205	0.2
313.09119	0.3
319.83322	0.1
331.10251	0.2
349.11243	0.2
352.68076	0.1
379.10254	0.5
397.11288	1.3
407.09711	0.1
415.12360	2.6
417.39871	0.1
423.12543	0.1
429.34055	0.1
433.13394	0.8
451.14471	0.2
670.20361	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	730.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01854	0.3
55.05491	0.5
57.03413	0.6
59.96188	0.2
61.02907	0.3
67.05506	0.4
69.03426	1.4
69.33898	1.3
69.34329	0.7
70.06600	0.9
71.04983	1.9
72.08158	1.7
73.02891	0.4
74.25210	0.2
79.05459	0.4
81.03414	1.2
81.07031	0.4
83.04962	0.5
84.08123	0.8
85.02901	4.0
85.03677	0.3
85.07653	0.3
86.06053	0.3
87.04446	0.4
89.10777	0.2
91.05450	0.8
93.07004	0.2
95.04961	0.6
97.02885	1.8
97.06460	0.3
98.06017	0.5
98.09668	0.4
99.04449	1.6
100.04772	0.2
101.05981	0.3
103.03927	0.6
103.05476	0.2
105.07021	0.4
107.04922	0.9
107.08536	0.2
109.02886	1.8
110.02396	0.4
110.03136	0.3
111.04427	0.3
112.07670	0.2
117.03360	0.2
119.04910	0.6
119.08666	0.2
121.02863	0.4
121.10152	0.3
123.04421	0.5
125.02302	0.2
127.03912	8.2
128.04274	1.6
129.05446	0.3
131.04933	0.3
133.10120	0.4
135.04410	0.3
137.02328	0.2
137.05975	0.7
138.05441	0.5
138.09148	0.3
140.07030	0.2
145.04945	1.0
145.06421	0.3
146.08110	0.3
147.04398	2.3
148.07407	0.2
149.05974	0.3
150.05453	0.3
151.03902	0.2
151.07454	0.3
152.04536	0.2
152.07010	0.5
153.01804	0.3
153.05473	0.4
154.08696	0.2
158.10904	0.2
159.07979	0.2
161.05933	0.4
162.05501	0.3
163.03937	0.2
163.07573	0.3
164.07014	0.3
166.05003	0.2
167.07043	3.4
168.06441	0.3
173.06021	0.2
175.03925	0.2
175.06200	0.2
175.07600	0.3
175.14813	0.4
176.07047	1.9
177.05476	0.5
178.04945	0.3
181.04887	0.5
187.05962	0.5
187.07568	0.4
188.07095	0.4
190.08614	3.7
192.06548	9.9
193.08560	0.2
200.07089	0.6
202.00819	0.2
202.08598	0.4
203.05821	0.2
204.06512	0.5
206.04504	0.5
207.06673	0.4
211.09630	0.3
216.06557	1.6
216.11420	0.3
218.08119	1.2
218.11740	0.4
228.06509	1.2
229.01245	1.9
232.06038	1.4
234.07596	3.6
236.05508	2.1
240.06532	0.4
242.04451	0.6
242.08302	0.2
243.05246	0.3
246.07661	2.4
247.02429	0.3
255.06462	0.5
256.06393	0.4
258.07614	1.9
259.04819	0.3
260.05637	1.0
260.09177	0.2
271.05734	0.4
271.08368	0.4
272.05536	0.2
272.08655	0.2
274.07025	0.8
276.08585	0.6
281.11731	0.4
284.05594	1.0
285.04547	0.2
285.07547	0.8
286.07819	0.6
287.05301	0.2
290.15982	0.3
302.06570	100.0
303.06857	2.1
309.11050	0.6
314.06522	1.2
320.07620	8.0
323.12299	0.2
328.08112	0.6
340.08112	0.6
341.13913	1.5
344.07669	1.4
354.09619	0.4
359.15143	0.2
368.07913	0.4
380.11438	1.4
410.08954	0.2
422.12323	79.4
423.12561	1.5
428.09790	0.3
434.12817	0.2
464.13419	1.9
488.13239	0.4
548.15961	0.4
566.16394	1.8
584.17249	0.7
610.20013	0.2
730.23193	15.6
731.23615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01853	1.9
55.46141	0.6
57.03413	1.3
61.02916	1.4
65.03936	10.5
67.05489	2.3
69.03419	5.4
69.43776	2.7
69.44205	3.1
70.06583	0.8
71.04982	1.0
72.08145	1.4
73.02917	1.2
75.04472	0.7
78.04697	1.4
79.05488	4.5
81.03403	4.6
81.07031	1.6
82.04185	1.5
83.04944	0.9
84.08138	1.1
85.02895	9.5
86.09690	1.0
87.04467	1.4
89.06001	0.9
91.05469	8.0
93.03384	2.4
93.07026	1.7
95.01318	1.5
95.04951	5.2
95.08585	1.8
97.02883	6.7
97.06528	0.9
98.09676	1.1
99.04454	3.1
103.03927	1.8
103.05454	5.2
105.07016	6.2
106.04173	0.8
107.04953	7.3
107.08570	1.7
108.02077	1.4
109.02860	6.2
109.06466	0.6
109.10147	0.8
110.03667	9.5
111.03695	1.0
111.04437	18.4
111.05197	1.1
115.05444	2.4
117.03312	0.8
117.06998	2.0
118.04128	1.6
118.85570	0.6
119.04929	7.5
119.08555	2.2
120.08022	0.7
121.02841	1.3
121.06493	1.9
121.10140	1.0
122.03606	1.7
123.04422	4.2
124.05186	1.9
124.07542	0.7
124.11226	1.5
125.05993	14.9
127.03905	26.1
128.04285	0.8
128.06203	1.8
129.06973	3.8
130.04147	0.8
131.04929	8.4
131.08537	1.4
132.05748	1.2
133.02832	2.2
133.06500	4.7
133.10118	1.3
134.03561	0.9
135.04404	1.0
135.08090	0.6
135.11644	0.9
136.05154	1.2
137.02379	0.9
137.05963	18.9
138.03087	1.2
138.05479	0.7
141.06958	0.9
143.04890	1.3
144.05605	0.8
145.04927	2.3
145.06470	2.1
145.10069	0.7
146.07147	0.7
147.04395	11.5
147.08025	2.0
147.11740	0.8
148.04938	0.5
149.05975	2.8
151.03911	3.2
151.07527	4.1
152.04616	0.8
153.05453	75.4
154.05806	0.8
155.04881	0.8
155.07080	0.7
159.08049	6.3
160.05145	1.2
161.05995	7.2
162.06709	1.4
163.03905	2.1
163.07515	9.3
165.05591	0.8
165.06969	0.8
167.07030	51.4
169.06467	1.0
171.04385	1.1
171.08020	1.0
172.05173	2.3
173.05861	0.6
175.03905	2.8
175.07516	11.3
176.04547	0.6
177.05443	4.2
178.07800	1.6
179.07053	6.9
179.08502	1.1
181.04897	1.1
181.08583	1.7
183.04324	0.7
184.05174	1.2
185.05952	1.7
185.22130	0.7
186.06796	2.9
187.06010	0.7
187.07520	10.6
189.05440	4.2
189.06995	2.1
189.09059	1.3
190.07756	2.5
191.07018	4.4
191.08574	3.6
191.14297	1.1
192.04092	1.0
193.06587	0.9
193.08583	1.6
193.10173	0.9
194.07260	0.8
195.08186	0.7
199.07518	6.8
201.05434	1.2
202.07700	3.6
203.06915	1.1
203.08585	2.8
204.09265	0.9
205.06479	2.7
205.08485	1.2
206.07323	2.2
207.06494	6.6
207.08121	1.7
208.08794	2.0
209.08015	1.2
211.09654	1.1
215.06996	2.0
215.08577	1.9
215.10353	0.6
216.07806	8.3
217.06512	1.5
217.08514	1.0
218.07231	4.8
219.08063	9.9
220.08829	4.2
221.05945	2.2
221.09607	3.7
222.06723	0.8
222.10263	0.6
223.07486	1.3
229.08560	7.2
230.07237	1.1
231.08015	3.5
232.08810	1.2
233.06114	2.7
233.09636	3.3
234.06696	3.3
235.07523	5.0
236.08345	5.4
237.09131	3.0
239.07109	1.0
245.05957	1.4
246.06757	2.5
247.07510	6.3
248.08273	5.3
249.05490	0.9
249.09074	6.5
250.06215	1.4
250.09845	1.9
251.06999	1.3
251.10628	11.8
253.08661	1.2
258.06613	0.8
259.07498	2.4
260.08200	1.7
261.05435	2.2
261.09125	4.1
262.06226	1.6
262.09836	1.7
263.07138	3.0
263.10501	2.8
264.07791	10.0
265.08569	8.9
266.09238	1.2
271.05841	1.3
273.05643	0.9
273.08978	0.9
274.06192	1.0
274.09839	0.8
275.07089	2.8
276.07776	8.7
277.08588	6.0
278.09396	3.8
279.06754	0.9
279.10120	7.6
280.07513	0.7
280.10934	1.1
281.08118	1.6
281.11636	3.1
283.09564	0.7
285.07559	1.6
286.07794	1.1
287.07187	0.7
288.07748	2.0
289.08600	4.7
290.09259	2.0
291.06842	0.9
291.10101	4.4
292.07260	3.0
292.10751	1.3
293.08032	5.2
293.11728	1.8
294.08835	2.0
295.05899	0.8
296.10458	0.9
299.08551	0.6
299.12576	0.7
301.07443	1.0
304.07294	2.4
305.08292	2.9
305.11145	0.7
306.08862	2.3
307.09610	36.7
308.10297	6.4
309.07703	1.1
309.11078	5.6
310.11884	0.7
311.12851	2.7
313.06998	0.7
319.09668	10.9
320.10397	2.6
321.07599	1.4
321.11206	4.8
323.09155	1.1
323.12677	6.1
324.09958	1.5
324.13422	0.8
325.14291	1.1
336.09949	0.7
337.10709	2.5
339.12241	100.0
340.12671	2.0
341.13852	10.0
351.12256	27.3
352.12759	1.4
353.13843	4.9
357.13266	0.8
369.13220	3.2
499.17749	4.2
513.18427	0.7
567.21948	2.3
729.26343	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	729.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01862	0.7
55.05494	0.4
57.03223	0.1
57.03436	1.3
61.02921	0.6
69.03425	7.7
70.06573	0.1
70.13353	0.2
70.13762	0.5
71.01361	0.3
71.04982	1.7
72.08144	0.3
73.02914	2.8
74.98403	0.1
81.03410	8.4
83.01337	0.2
83.04977	1.4
83.23942	0.1
85.02898	13.3
87.04462	0.8
91.03929	0.1
91.05451	0.2
95.04951	0.2
97.02885	7.8
99.04447	14.8
100.64401	0.1
101.02383	0.1
103.03932	7.7
105.07022	0.1
107.04939	0.2
109.02869	16.6
110.03695	0.2
111.04442	0.5
111.05101	0.1
115.03919	0.7
117.05481	1.2
118.54846	0.1
119.04941	0.2
121.02853	0.1
123.04412	0.5
125.02358	0.5
127.03906	100.0
128.04221	0.9
129.04442	0.2
132.25735	0.1
135.04433	0.1
135.06517	0.3
137.02203	0.1
137.05962	0.2
139.03897	0.3
145.04947	11.7
147.04385	0.5
149.05952	0.2
151.03917	0.4
153.01862	0.2
153.07587	0.4
157.04979	0.3
159.06523	0.4
161.05989	0.3
163.03903	0.3
163.06013	2.3
163.07381	0.2
165.05431	0.2
169.04947	1.3
171.06599	0.1
173.04480	0.2
177.05371	0.1
177.07584	0.2
178.95802	0.1
179.06985	0.3
180.08830	0.2
181.04872	0.2
187.06012	4.5
187.07678	0.3
189.05438	0.4
191.07062	0.2
193.04945	0.4
199.05965	0.2
201.74994	0.1
205.05045	0.4
205.07083	1.7
207.06537	0.6
209.08119	0.6
211.06007	0.6
213.07372	0.1
215.05447	0.2
217.04961	0.2
217.06975	0.2
225.07608	0.6
227.09143	0.2
229.07016	1.3
235.06021	1.2
243.08665	1.1
245.10182	0.3
247.08115	0.5
253.07050	3.2
261.09686	0.4
261.16037	0.4
271.08118	8.3
272.08521	0.1
289.09146	4.5
295.08115	0.1
297.11722	0.2
303.10815	0.2
307.10150	0.8
313.09174	0.4
321.11801	1.1
331.10193	0.6
339.12872	0.2
349.11234	0.6
351.10623	0.2
361.09146	0.2
369.11850	0.3
373.11197	0.3
379.10223	0.7
387.12732	0.7
397.11252	1.8
405.13779	0.8
415.12335	4.8
423.14786	0.4
433.13403	3.2
451.14539	0.9
513.15863	0.2
531.16827	0.4
541.15631	0.5
549.18256	0.3
567.18933	0.4
577.17578	0.6
729.30243	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	727.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01850	0.5
55.05466	1.2
57.03412	0.9
59.35656	0.4
61.02877	0.8
61.76498	0.4
64.99969	0.3
66.90183	0.3
67.05473	1.2
69.03428	5.1
70.06566	0.4
71.04955	1.3
71.62690	0.4
72.08116	0.6
73.02876	1.3
79.05444	0.4
81.03414	6.6
81.07005	1.4
83.04951	0.9
83.08602	0.4
85.02898	11.8
87.04409	0.7
93.06999	0.8
95.08549	1.1
97.02886	6.5
98.45751	0.4
99.03841	0.5
99.04450	8.7
103.03929	5.5
103.05398	0.5
105.06945	0.7
107.04908	0.4
107.10129	0.4
109.02872	8.8
109.10128	0.7
115.03921	0.5
117.07001	0.6
123.04374	0.5
127.03909	15.9
131.08530	0.4
135.07944	0.4
140.06209	0.4
145.04944	4.8
147.04326	0.9
149.05928	0.5
151.07498	0.8
157.06433	0.5
167.07048	2.8
185.05994	0.5
187.05931	1.2
189.05396	1.0
191.10687	0.4
202.07932	0.4
205.12263	0.5
213.05377	1.4
217.10068	1.1
231.06441	0.9
245.09592	2.1
248.08308	0.6
271.08096	0.5
273.09052	1.4
275.07043	0.7
291.10214	1.6
301.08603	1.1
309.11078	0.4
311.05447	6.4
311.57471	0.4
319.09604	6.1
323.05515	1.5
323.09021	0.9
329.08243	0.9
346.08209	0.8
347.09116	29.9
349.07242	0.7
350.07745	1.4
353.10178	3.0
361.10870	0.5
363.08511	0.5
364.09512	0.6
365.10172	67.8
366.10565	1.6
379.11807	2.8
411.14438	1.5
421.16425	100.0
422.16687	2.7
443.31778	0.6
479.20847	2.1
583.21967	3.5
665.25854	1.6
671.19525	0.6
691.23761	2.9
709.24323	0.8
727.25098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01853	0.5
55.05511	0.7
57.03435	0.8
57.36970	0.1
57.38632	0.1
58.06598	0.1
59.04990	0.3
61.02906	0.6
61.03180	0.1
67.05500	0.2
69.03422	5.6
69.40655	1.2
70.06581	0.3
71.01353	0.3
71.04984	2.2
72.08141	0.4
73.02908	2.9
79.05508	0.2
81.03410	8.3
81.07031	0.2
83.01340	0.2
83.04965	1.2
85.02897	12.9
87.04459	0.9
89.10771	0.1
91.05473	0.3
93.07055	0.2
95.04996	0.7
97.02885	8.9
97.06479	0.2
98.20680	0.2
99.04445	14.2
100.04847	0.2
101.02347	0.2
103.03931	6.6
105.07031	0.2
107.04945	2.9
109.02869	17.4
111.04443	0.4
115.03904	0.8
117.05499	0.2
119.04925	0.2
121.02843	0.2
121.06499	0.1
123.04421	0.6
125.02345	0.7
127.03902	100.0
128.04260	0.9
131.04951	0.2
133.06500	0.2
133.10246	0.2
135.04408	2.8
135.08064	0.2
136.51836	0.1
137.05965	0.3
138.05522	0.2
139.03891	0.3
141.54970	0.1
145.04939	10.5
147.04425	0.5
149.02350	0.2
150.73875	0.1
151.03883	0.6
153.01785	0.2
153.05452	2.7
157.04974	0.4
161.06012	0.4
163.03862	0.4
163.06023	1.6
163.07385	0.2
165.09056	0.2
167.07094	0.7
169.04945	1.2
173.04523	0.2
175.03966	0.3
177.05424	0.3
179.04155	0.1
179.91597	0.1
181.04865	0.3
182.21779	0.1
187.06007	3.6
189.05431	0.3
191.07013	0.2
192.06490	0.2
193.04924	0.5
193.08553	0.2
199.06061	0.5
205.04991	0.4
205.07068	1.6
207.06543	0.2
209.08023	0.7
211.05959	0.6
217.04988	0.3
217.06799	0.2
223.06026	0.2
227.09128	0.2
229.07039	0.9
235.06030	1.3
245.10292	0.4
247.08215	0.4
253.07051	3.3
255.06407	0.8
265.11862	0.1
270.05203	0.6
271.08105	6.9
285.07544	3.2
286.07739	0.2
289.09174	3.0
295.08252	0.2
301.06989	0.2
302.06653	1.7
307.10260	0.3
313.09158	0.4
331.10181	0.4
349.11362	0.3
379.10135	0.7
397.11157	1.8
399.12787	0.2
415.12354	3.0
422.12311	1.0
433.13354	1.2
451.14441	0.2
541.15497	0.6
567.15759	0.2
567.33081	0.2
603.19019	0.3
729.20770	1.3
730.22363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.89511	1.0
55.01852	1.9
55.05502	2.6
57.03175	1.6
57.03433	15.6
67.01855	2.5
68.99808	1.9
69.03069	2.3
69.03423	30.6
69.22684	1.0
69.71587	7.6
69.71905	1.4
71.01334	2.0
71.04985	72.6
73.02905	3.5
75.04456	5.8
81.03407	3.7
82.78476	1.0
83.04969	13.0
85.02896	100.0
87.04453	2.7
91.29467	1.0
93.03368	1.4
95.04968	4.9
95.37977	1.1
97.02854	5.7
99.04438	4.6
103.03933	1.6
107.04958	6.0
107.51869	1.1
109.02863	4.7
111.00793	1.1
111.04433	13.5
113.06007	1.7
117.05489	1.6
119.04918	6.0
121.02869	3.2
121.06543	2.2
123.04401	4.2
125.02362	1.4
125.06041	1.0
127.03898	13.4
129.05460	27.0
131.04901	1.5
135.03413	1.5
135.04391	14.7
139.03885	1.5
147.04388	25.1
147.06456	10.3
149.02248	1.7
149.05870	1.3
151.03902	2.4
153.01814	46.2
153.05450	3.9
161.05991	1.6
163.03925	4.9
163.05966	1.5
165.01828	11.6
167.03313	1.2
167.06961	1.3
171.02893	16.7
171.04253	1.3
171.06580	2.2
173.02347	1.2
173.05986	1.9
175.03955	2.1
177.01816	8.5
177.05525	1.0
179.03369	1.9
183.02916	8.5
185.06232	1.1
187.03952	1.9
187.07550	1.5
189.01859	4.3
189.05426	2.1
191.03387	11.7
193.05009	1.2
195.02879	60.3
201.05484	3.1
203.03278	7.7
205.01324	1.3
205.04895	1.4
207.02834	8.7
209.04530	1.8
213.05528	2.1
215.03357	1.9
217.04973	3.5
219.02863	40.7
221.04451	4.5
223.02417	1.8
225.03909	3.5
229.04942	1.6
231.02873	9.3
233.04431	5.9
237.03903	12.1
239.09172	3.5
241.04948	2.6
243.02802	2.2
243.06618	1.4
245.04413	21.6
249.03967	5.7
255.06671	2.1
257.04486	5.3
257.10294	2.9
261.03906	23.0
263.05469	24.0
269.04434	5.2
271.05713	1.4
273.04254	2.9
273.07538	70.3
275.05539	3.9
275.11276	1.8
281.06674	3.2
283.05975	2.6
285.03909	7.1
285.07520	8.3
287.05478	11.7
293.06622	1.2
297.04416	1.5
297.07523	9.8
301.07083	2.0
303.05032	2.9
305.06454	11.0
309.04086	1.2
309.07568	4.7
311.05450	5.6
315.08569	19.6
321.06979	1.6
323.07816	8.2
327.04990	2.5
327.08719	4.8
329.06317	6.6
337.06680	1.7
339.08667	25.7
347.07629	3.2
351.08640	6.6
357.09653	3.6
363.07440	2.1
365.10062	9.0
369.09570	1.3
371.07352	1.7
373.09079	1.1
381.09650	10.6
383.11227	27.4
389.08813	5.1
391.10226	2.3
393.09671	2.6
395.11197	1.4
399.10815	3.1
401.12302	16.7
405.09329	2.6
407.10959	13.0
413.12207	4.7
417.12137	6.6
419.13348	17.0
423.10428	2.1
425.11960	11.1
427.10718	1.5
429.11829	5.7
435.12592	3.6
441.11624	1.4
443.13367	13.5
449.12268	3.1
459.12854	8.2
461.13669	1.9
467.13037	5.5
483.12842	2.5
485.13904	1.9
491.13287	2.0
493.14468	1.6
509.14392	4.3
511.15680	4.0
527.15344	9.4
529.17004	1.4
545.16571	3.2
563.18146	1.3
654.72455	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	727.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01855	0.2
55.05505	0.2
57.03427	0.5
61.02910	0.2
65.03967	0.1
67.01868	0.1
69.03426	2.5
69.90741	0.1
70.06583	0.2
71.01338	0.1
71.04990	0.7
71.62559	0.1
72.08150	0.6
73.02911	0.6
79.05495	0.1
81.03410	2.4
83.01316	0.1
83.04974	0.2
84.08114	0.1
85.02899	6.3
87.04466	0.5
89.10800	0.1
91.03978	0.1
91.05444	0.1
95.04976	0.1
97.02883	6.6
98.06059	0.1
99.04447	4.4
100.88151	0.1
101.02380	0.1
103.03934	5.0
105.07023	0.1
107.04950	0.1
109.02874	3.9
110.02423	0.1
111.04440	0.2
112.28275	0.1
115.03931	0.8
119.04929	0.3
121.02906	0.1
123.04483	0.1
127.03906	100.0
128.04240	0.9
133.04979	0.2
137.05992	0.1
139.03862	0.2
141.64600	0.1
145.04944	4.0
147.04401	1.0
148.04811	0.1
151.03905	0.1
151.07497	0.1
152.07065	0.1
157.00507	0.1
157.04916	0.2
161.06024	0.2
163.03946	0.1
163.06003	1.7
167.07086	0.2
169.04962	0.3
175.03882	0.3
177.05484	0.2
181.04959	0.1
187.05995	1.5
190.99789	0.1
193.04938	0.1
197.08075	0.1
199.06017	0.2
205.04964	0.2
205.07074	0.3
207.06482	0.6
209.00806	0.5
209.08009	0.1
218.11813	0.1
223.05984	0.5
229.06938	0.2
235.06017	0.1
235.14426	0.1
241.07047	0.6
253.07074	0.5
259.08124	0.3
271.08109	1.9
289.09155	1.3
295.06064	0.2
295.16507	0.3
301.09534	0.1
307.06668	0.1
307.10229	0.6
325.07019	0.1
329.06619	0.2
337.06927	0.2
367.10474	0.1
373.11182	0.2
379.08221	0.1
391.08353	0.1
397.11554	0.2
403.12231	0.2
409.09076	0.1
415.12369	0.4
421.13480	0.2
427.10214	0.2
433.13391	4.8
577.17487	0.2
720.94928	0.1
727.28534	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	727.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.03944	1.4
55.01874	0.7
55.05506	1.1
57.03432	1.0
57.07064	0.3
60.16137	0.2
61.02908	0.3
65.03915	0.3
65.99221	0.2
66.16247	0.2
67.05506	1.4
68.99762	0.2
69.03423	4.9
69.07060	1.1
70.06586	0.6
71.04984	0.9
71.62301	0.3
71.62698	0.3
72.08155	0.5
72.89113	0.2
73.02914	1.1
79.05501	1.5
79.64713	0.2
81.02970	0.4
81.03417	5.2
81.07045	3.0
82.03755	0.2
83.01326	0.4
83.04975	1.8
83.08627	0.4
84.08137	0.8
85.02415	0.4
85.02905	6.2
85.06541	0.7
85.12292	0.2
87.04462	0.5
91.05473	2.3
93.07055	2.0
95.04984	1.3
95.08598	2.1
97.02886	42.9
97.06525	0.4
97.10158	0.3
98.03209	0.4
99.03819	0.5
99.04450	7.0
101.02381	0.3
103.03941	2.2
103.05479	0.4
105.07026	2.2
107.04951	0.8
107.08590	1.7
109.02876	6.9
109.06514	0.8
109.10150	2.0
111.04475	1.6
111.08060	0.3
115.03925	7.4
116.98705	0.2
117.06999	0.4
119.04933	1.3
119.08595	1.3
121.02876	0.4
121.06522	1.3
121.10133	1.2
122.59157	0.2
123.04443	1.6
123.08079	0.5
123.11708	0.9
125.02341	0.3
125.05972	0.5
125.09615	0.3
127.03910	100.0
128.04245	0.9
129.05473	0.3
129.06993	0.5
131.04933	0.6
131.08560	0.5
133.06490	0.8
133.10152	1.4
135.04411	0.7
135.08064	0.7
135.11665	0.8
137.02351	0.8
137.05986	1.7
137.09601	0.5
139.03880	1.6
139.07523	0.3
141.05420	0.2
141.07108	0.3
143.04819	0.3
143.08624	0.4
145.02895	0.6
145.04970	2.5
145.06078	0.3
145.10121	0.7
147.04408	2.6
147.08052	0.3
147.11671	0.9
149.05960	1.5
149.09641	0.7
149.13243	0.3
151.03889	0.6
151.07542	2.0
151.11128	0.2
153.05449	0.7
157.04985	1.7
157.10150	0.3
159.11676	0.8
161.05952	1.3
161.09541	0.3
161.13303	0.3
163.03893	1.1
163.06107	0.4
163.07512	0.5
163.11229	0.4
163.14757	0.2
165.05424	0.5
165.09052	0.6
167.03415	0.4
167.07043	3.9
169.04939	0.5
171.11638	0.4
173.04498	0.3
173.13283	0.4
174.09247	0.3
175.03900	0.7
175.06038	0.8
175.07446	0.3
175.14769	0.3
177.05460	3.2
177.09042	0.5
178.08728	0.3
179.03380	0.3
179.07013	0.6
181.04997	1.6
187.03998	0.3
187.05986	1.3
187.07544	0.5
187.11122	0.2
187.14938	0.3
189.09087	0.3
189.12720	0.2
191.06973	0.4
191.10663	0.8
191.14336	0.4
193.04953	1.8
193.08568	0.4
195.06450	0.4
197.08051	1.4
199.05920	1.1
201.05515	0.3
201.09167	0.3
205.04951	3.6
205.06947	0.7
205.08669	0.4
207.06491	1.7
208.06943	0.4
208.09627	0.2
215.10831	0.3
223.05991	7.4
229.06938	0.5
235.05983	0.4
241.07047	10.4
247.08076	0.3
253.07045	0.4
255.06497	0.3
259.08099	5.0
271.05649	0.5
271.08307	1.3
273.07642	0.2
277.26627	0.2
283.05899	0.4
289.09201	0.5
297.07397	0.3
301.09546	0.3
315.08545	0.3
317.06296	0.3
319.10147	0.3
323.08984	0.4
324.06171	0.3
326.07443	0.3
335.09073	0.5
337.06964	0.3
337.10846	0.3
339.08423	0.5
349.09232	0.4
351.08463	0.3
367.10214	1.9
373.11053	0.2
379.11642	0.3
385.11267	1.8
395.11340	0.2
403.12192	2.8
421.13379	4.3
422.14154	0.3
425.30548	0.4
429.14941	0.3
443.26907	0.3
443.32056	0.5
461.32394	0.9
479.33517	0.6
529.15509	1.1
529.39648	0.5
547.16309	1.2
547.41089	0.4
565.18262	0.3
727.33142	0.7
727.46045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16446	0.1
53.03939	0.3
55.01855	0.2
55.05497	0.6
57.03412	0.5
61.02945	0.2
63.02367	0.4
65.03920	0.4
67.05507	0.8
69.03430	1.9
69.07052	0.5
69.99223	0.8
70.06578	0.4
71.05001	0.8
72.08137	0.7
73.02911	0.2
78.04721	0.3
79.05492	1.0
81.03412	5.0
81.07053	1.5
83.04951	0.5
83.08621	0.2
84.08128	0.3
85.02467	0.2
85.02899	2.0
85.06541	0.4
86.09651	0.2
89.03913	5.3
91.05473	1.5
93.03403	0.3
93.07045	1.2
95.01255	0.2
95.04959	0.7
95.08604	0.9
97.02888	2.1
97.06523	0.3
98.06064	0.2
99.04472	0.9
101.06033	0.2
101.26369	0.2
103.05447	0.4
105.03405	0.3
105.07036	1.2
106.04124	0.4
107.04927	0.7
107.08602	0.9
109.02882	2.3
109.06490	0.4
109.10146	0.7
111.08047	0.3
117.03374	17.3
117.07005	0.4
119.04945	1.0
119.08601	1.0
121.02859	0.6
121.06489	0.5
121.10123	0.6
123.04400	0.5
123.08050	0.4
123.11703	0.3
124.05178	0.2
125.05933	0.2
125.09580	0.2
127.03056	0.3
127.03909	3.1
128.04240	0.3
129.06989	0.2
131.04900	0.4
131.08572	0.3
133.06462	0.3
133.10098	0.6
134.03603	1.3
135.04414	1.8
135.08011	0.3
135.11665	0.5
137.02327	2.1
137.05968	1.2
139.07507	0.2
139.11096	0.2
145.02838	49.1
145.10071	0.5
146.03168	0.8
147.04413	2.0
147.07983	0.3
147.11647	0.4
149.05972	6.6
149.09584	0.4
151.03867	0.7
151.04988	0.2
151.07535	0.6
153.01840	0.3
153.05437	0.3
158.06006	0.4
159.04399	0.2
160.05307	0.2
161.05986	0.4
161.09665	0.3
162.03137	0.3
163.03908	1.9
163.07559	0.4
163.11160	0.3
165.05478	0.3
165.09111	0.4
167.07050	2.6
168.07433	0.2
171.11497	0.2
173.05965	0.2
173.13329	0.3
175.03903	0.8
175.07620	0.4
175.14806	0.3
176.04703	0.2
177.05461	100.0
178.05835	1.8
179.03506	0.2
179.07056	0.3
181.04915	0.3
186.05492	2.8
187.05533	0.2
187.07491	0.2
187.11154	0.2
189.05478	0.3
191.03391	0.9
191.06978	0.2
191.10661	0.3
193.04951	0.2
193.08556	0.5
195.06522	1.1
201.05478	0.3
203.03317	0.4
204.04152	0.3
205.04898	0.6
205.08588	0.3
207.06531	1.3
209.32954	0.2
213.05554	0.3
221.04335	0.4
222.05202	0.2
223.05739	0.2
237.09030	0.2
247.07533	0.2
253.08661	0.4
255.06458	0.4
259.09680	0.2
265.08548	0.7
267.06430	0.2
267.15762	0.2
268.07883	0.2
271.05832	0.4
281.08142	1.7
282.08743	0.7
283.05856	0.3
285.07339	0.3
293.07974	0.9
295.05942	0.2
295.09814	0.2
297.07758	0.2
297.11188	0.5
307.06058	0.2
307.09454	0.2
309.07578	0.8
310.08350	0.4
311.05511	0.5
313.06882	0.3
317.06339	0.4
319.06046	0.3
320.06818	0.4
321.09976	4.7
324.06119	0.3
325.07007	0.5
325.10641	0.3
327.08640	0.3
335.09103	0.5
337.07031	3.2
337.10760	0.1
338.07819	10.6
339.11151	3.7
351.08582	0.2
353.10178	25.6
354.10471	1.3
356.08917	0.6
371.11240	21.0
372.11609	1.0
389.12292	38.0
390.12750	1.0
393.13168	0.5
411.14316	0.6
429.15302	1.6
443.32156	0.3
533.16479	1.7
723.77759	0.2
727.23383	0.2
727.39819	0.9
727.51080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01850	0.7
55.05499	0.5
57.03432	0.3
61.02907	0.7
63.02364	0.8
65.03925	0.3
67.05491	0.5
69.03428	2.3
69.92027	1.0
69.92439	0.5
70.06572	0.7
71.04974	0.6
72.08145	1.8
73.02901	0.4
79.05497	1.6
81.03408	1.2
81.07015	0.4
83.04967	0.4
84.08137	0.3
85.02897	2.3
86.09679	0.7
89.03908	10.4
91.05456	1.5
93.07038	0.6
95.04925	1.1
95.08615	0.4
97.02881	3.3
98.09662	0.4
98.20692	0.3
99.04438	0.7
103.03932	0.9
103.05467	0.5
105.07005	0.6
107.04943	3.4
107.08564	0.6
109.02881	1.4
109.06512	0.3
111.04440	0.6
115.03893	0.7
115.05423	0.4
117.03370	10.8
117.06960	0.4
119.04922	2.1
119.08591	0.4
119.59423	0.3
121.02859	8.0
121.10114	0.4
123.04414	0.9
125.07120	0.4
127.03905	5.4
131.04926	1.3
133.06482	0.3
133.10114	0.6
135.04402	25.2
135.11707	0.4
137.02325	0.4
137.05986	0.4
138.05473	0.3
140.07021	0.2
143.04881	0.5
145.02831	18.8
147.04398	2.5
151.03888	0.4
159.04399	1.1
161.02348	0.3
161.05956	0.7
163.03886	100.0
164.04247	0.9
167.03410	0.3
167.06995	1.4
167.08299	0.3
173.05945	0.4
175.03914	0.9
175.07332	0.3
175.14815	0.6
177.05449	0.9
179.03365	0.8
181.04956	0.6
185.05998	0.3
185.16454	0.4
186.05466	0.5
187.03918	4.3
189.01787	1.3
189.05428	0.7
191.03378	1.9
191.14267	0.3
193.04904	0.3
195.02977	1.3
197.06036	0.4
199.03838	0.2
201.05519	0.5
203.03365	1.3
205.05009	1.0
207.02827	1.7
209.04449	0.6
211.03941	0.3
213.05486	0.7
215.03481	0.4
217.04906	1.5
219.02844	1.8
221.04491	0.7
227.03195	0.3
227.07092	0.4
229.04956	0.5
231.02972	0.6
233.04366	0.6
239.07088	0.3
240.79160	0.2
241.04878	0.6
245.04448	0.6
251.06895	0.3
252.07689	0.3
255.06329	0.4
256.07159	0.3
265.08337	0.3
267.06488	0.8
268.07297	1.1
269.08084	0.4
271.05789	1.5
273.04031	0.3
273.07574	0.4
277.06964	2.1
279.06525	1.1
280.07251	0.6
281.08063	1.5
283.06000	3.2
284.06808	1.6
285.03894	0.3
291.06503	0.7
292.07187	0.4
293.07974	0.9
294.02167	0.5
294.05212	5.2
295.05560	8.9
295.08459	2.2
296.06616	1.2
297.07541	2.0
305.08191	0.5
307.05966	12.5
308.06732	4.5
309.04111	0.4
309.07492	7.5
309.11066	0.5
311.05417	0.5
313.07025	6.9
319.06052	2.7
320.06784	0.9
321.03806	0.4
321.07532	5.1
322.08377	1.3
323.05487	0.6
323.09140	0.9
325.06604	8.8
327.08423	0.3
329.08218	0.3
331.05762	0.5
333.04074	0.5
333.07562	2.6
334.08487	0.7
335.05429	0.7
335.09137	1.9
336.06152	0.8
337.07016	25.3
338.07379	0.6
339.08630	2.0
343.08359	0.4
345.07492	1.0
347.05426	0.3
347.09064	1.4
349.07053	5.8
350.07724	0.4
351.08569	2.8
353.06543	0.3
355.08148	3.8
359.09244	0.4
360.06088	0.4
361.07013	3.5
363.08621	3.7
365.09970	0.4
367.08063	4.5
371.09546	0.3
373.07086	1.2
375.08710	1.2
377.06534	0.5
379.08087	11.8
380.08777	0.4
381.09784	0.3
385.09027	2.3
387.08774	0.5
389.10403	0.5
391.08063	9.8
393.09756	0.5
397.09048	1.9
399.10916	1.3
403.10361	5.4
405.10010	0.7
407.09305	0.4
409.09152	6.4
415.10260	2.5
421.09180	1.9
425.09995	0.4
427.10233	18.1
428.09915	0.4
429.10406	0.4
433.10889	3.1
439.10236	1.7
441.09592	1.3
445.11282	11.7
451.09982	1.6
453.09525	1.3
457.11298	8.0
463.09912	0.8
469.10968	2.6
471.10684	2.3
473.12149	0.3
475.12234	4.1
481.10391	3.6
483.11200	0.4
485.08145	0.4
493.11218	2.0
493.24329	0.3
495.10736	0.6
499.10535	4.8
511.12360	5.2
517.03748	0.4
517.11298	6.8
523.10083	1.1
525.11578	0.5
527.13348	0.4
529.13348	5.6
535.10516	0.4
539.35449	0.6
541.11462	0.6
547.14429	7.8
553.11230	1.3
565.15613	3.0
571.12250	5.4
583.12408	0.7
589.13324	6.2
601.13379	2.3
607.14398	16.1
608.14771	0.4
619.14441	3.7
637.15454	6.3
655.14410	0.5
673.15106	0.9
691.16260	2.2
709.17560	3.9
727.18231	5.5
727.30139	0.4
727.36566	0.2
728.18842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
54.00412	0.5
55.01856	1.1
55.05503	9.2
57.03432	7.4
57.07056	1.5
61.02908	1.9
65.03925	1.5
67.05498	43.4
69.03418	0.9
69.07061	14.4
70.95603	1.9
71.04976	2.1
71.08604	0.7
72.95961	0.5
73.02892	0.5
77.03928	0.6
79.05485	25.3
81.03399	0.9
81.07049	50.6
83.04984	4.0
83.08607	7.5
85.02896	2.5
85.06556	2.9
91.03948	1.1
91.05473	13.5
93.07034	47.1
94.07389	0.7
95.04969	4.4
95.08597	24.8
97.02872	1.0
97.06510	5.4
97.10161	2.3
99.08082	1.8
105.04521	0.7
105.07017	7.8
107.08581	25.4
109.06506	1.6
109.10149	8.9
111.08090	3.9
111.11683	0.6
113.09636	1.2
113.50143	0.6
117.07001	5.9
119.08568	5.9
119.64634	0.6
121.10127	17.5
123.08076	1.1
123.11687	3.3
125.09604	0.7
131.08553	7.1
133.10120	6.6
135.08061	1.1
135.11667	10.0
137.09564	0.6
137.13251	0.8
139.11150	0.9
143.08539	0.7
145.10101	3.5
147.11678	4.1
149.13245	18.3
159.11671	8.6
161.13295	1.7
163.14856	1.5
165.12735	0.5
171.11678	0.6
173.13231	2.0
175.14865	0.8
177.12683	2.6
184.49442	0.6
187.14812	1.2
195.13730	6.4
213.14752	1.0
243.21092	2.0
261.22104	8.2
267.15970	1.0
269.17447	48.5
270.17761	0.8
272.46085	0.6
298.91107	0.6
317.24719	1.8
335.25757	51.4
336.26215	1.6
355.06033	0.5
437.34225	1.1
455.35547	0.9
467.37000	0.6
529.38837	100.0
530.38977	4.4
547.40021	1.6
615.68036	0.6
726.44977	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	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01855	2.2
55.05519	7.6
56.73137	1.0
57.03433	11.0
57.07073	1.0
59.04993	0.9
61.02922	9.8
62.58826	0.7
65.03929	1.2
67.05169	1.1
67.05502	16.2
69.03439	4.7
69.07066	8.2
70.06589	1.8
71.04991	4.2
71.22241	1.7
72.08138	3.3
73.02905	3.8
73.63921	0.7
74.83108	0.8
77.03940	0.8
79.05053	1.3
79.05489	18.0
81.03423	6.9
81.07061	18.9
82.00290	0.9
83.04961	3.4
83.08599	3.7
84.04447	0.8
84.08132	2.4
85.02904	17.0
85.06529	3.6
86.09686	1.2
87.00797	1.0
87.04424	1.4
87.18159	0.9
91.03963	5.8
91.05481	26.4
93.07039	22.2
93.07619	1.4
95.04980	5.2
95.08034	1.4
95.08602	17.9
97.02894	13.5
97.06510	2.4
97.10146	2.3
99.04446	2.0
99.08102	1.7
103.03905	1.2
103.05480	1.3
105.07025	29.9
106.07326	1.2
107.04946	3.6
107.08589	16.0
108.08024	0.8
109.02878	5.4
109.06508	4.7
109.10159	9.0
111.04433	1.4
111.08060	3.4
113.06013	1.1
115.03917	1.2
115.05434	2.0
117.07009	16.1
119.04945	5.2
119.08578	26.4
121.02825	0.9
121.06502	3.8
121.10129	10.8
123.04391	2.3
123.08070	3.2
123.11668	1.7
124.07581	1.1
125.05893	1.0
127.03918	20.0
127.07487	0.8
128.06161	1.9
129.05518	1.4
129.06989	8.4
130.04964	1.3
130.07771	1.4
131.04942	0.9
131.07057	1.6
131.08560	15.1
133.06488	2.4
133.10129	13.8
135.04364	1.5
135.08026	3.5
135.11717	4.6
136.07506	1.2
137.02414	0.9
137.05974	6.3
137.09621	1.8
139.07550	1.0
139.11215	1.0
141.06973	2.9
142.08676	1.7
143.08575	8.1
145.04930	3.3
145.06577	1.1
145.10118	22.2
145.11264	1.4
147.04420	12.7
147.08005	1.6
147.11691	11.2
148.04755	1.3
148.13683	0.8
149.05956	2.3
149.09651	4.3
149.13239	2.2
151.03891	0.9
151.07513	3.2
153.05548	1.3
153.09087	0.9
155.08559	2.3
157.10100	8.9
159.08067	1.4
159.11681	20.4
161.05971	1.6
161.09618	3.3
161.13239	5.1
163.03877	1.6
163.05998	3.6
163.07527	2.3
163.11169	4.1
163.14806	0.9
165.09044	1.8
165.12729	1.0
166.91644	0.8
167.07050	17.7
167.08405	1.2
168.07419	1.6
169.10112	4.9
171.11636	4.4
171.65051	0.9
173.09607	1.4
173.13257	12.4
175.03934	4.9
175.07564	1.6
175.11183	1.9
175.14838	3.7
177.05479	4.3
177.09142	1.4
177.12737	1.5
178.07210	0.8
179.07021	1.0
181.04918	1.0
181.10112	1.3
183.11652	4.9
185.13242	14.3
187.07532	1.1
187.11253	1.4
187.14772	1.6
189.09059	1.0
191.06973	1.0
191.14296	1.9
197.13266	3.3
199.11171	1.1
199.14758	0.9
201.16388	2.0
203.14302	6.7
205.15852	1.8
207.06493	8.0
209.08061	1.6
211.14807	1.6
215.10703	1.1
215.17929	1.8
219.17393	4.6
222.11240	1.6
229.16058	1.2
229.19460	2.0
239.17943	10.7
257.19025	21.8
269.17502	1.1
275.20074	19.9
277.21631	0.9
281.08173	0.9
295.19177	1.2
297.07443	1.1
309.07639	0.9
309.20667	1.5
311.05374	1.9
325.06958	1.9
326.07632	1.2
331.22647	3.1
339.08472	1.5
341.10071	2.0
349.23724	100.0
350.23904	1.2
354.06216	1.0
361.10559	1.3
365.10010	1.2
367.11789	1.3
367.24677	3.7
373.23251	1.1
379.11624	5.1
383.22986	1.0
457.25583	1.9
460.31329	1.2
468.27014	1.0
475.26987	1.0
478.32938	1.3
479.20837	1.6
493.27975	2.2
508.12906	1.6
511.28900	6.5
565.20612	1.1
726.25958	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	726.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63408	0.8
53.03936	4.3
55.01875	7.3
55.05258	1.6
55.05506	18.5
57.03431	18.9
57.07058	2.5
59.04997	1.4
61.02921	13.2
62.62011	0.8
64.71862	0.8
65.03933	2.0
67.05497	55.0
69.03123	1.1
69.03426	12.4
69.07063	23.9
70.06561	1.2
71.01333	1.1
71.04981	6.0
73.02907	5.9
74.66506	0.8
79.05485	40.5
81.03408	18.4
81.03848	1.5
81.07047	69.4
82.03738	1.4
82.07381	1.4
83.04969	11.3
83.08611	14.0
84.08136	0.9
84.57256	0.8
85.02894	20.5
85.06538	4.5
87.04437	0.8
91.03946	9.0
91.05470	31.5
93.07034	47.1
95.04958	11.1
95.08599	24.4
97.02878	16.5
97.06522	16.3
97.10139	5.3
99.04433	2.8
99.08093	4.5
103.03902	1.4
105.04497	0.9
105.07018	23.8
107.04951	8.4
107.08585	30.3
108.05279	0.8
109.02871	3.7
109.06493	7.7
109.10136	11.3
111.04443	1.5
111.08068	5.8
113.05988	1.2
113.09664	1.0
115.05479	1.4
117.06996	15.6
119.04916	1.6
119.08563	20.7
121.06501	6.1
121.10127	14.6
123.04414	2.9
123.08062	3.2
123.11694	5.1
125.05955	1.0
125.09621	5.2
127.03914	10.0
127.81940	1.0
129.05461	1.8
129.06967	4.7
131.08549	15.1
133.06448	2.1
133.10115	21.1
134.10497	1.0
135.08047	4.9
135.11676	17.5
137.09608	1.7
137.13300	1.0
141.07050	1.8
141.08994	1.0
143.08575	3.1
145.04945	4.6
145.06438	1.4
145.10100	13.9
147.04401	3.1
147.08043	0.9
147.11662	9.3
149.05951	1.6
149.09602	10.7
149.12149	1.6
149.13245	17.2
151.11157	3.2
155.08511	1.2
157.10098	3.9
159.08057	1.5
159.11676	21.0
161.05969	1.1
161.09669	2.4
161.13223	4.5
163.06000	3.9
163.11186	9.0
165.09082	1.1
165.12766	2.1
167.07016	3.2
169.10159	3.1
171.11722	2.6
173.04430	2.6
173.05836	0.8
173.09575	1.0
173.11772	2.1
173.13257	5.2
175.11136	2.2
175.14763	1.4
177.05400	1.6
177.12729	19.9
179.14308	6.6
181.12199	2.8
183.11710	2.1
185.13177	2.0
187.11177	1.4
187.14726	1.4
189.09206	1.3
189.11195	1.6
191.14264	2.0
193.12210	2.0
195.13823	6.1
197.13243	1.8
207.06514	2.0
213.14833	1.2
217.12257	0.9
227.12834	2.1
229.14337	3.6
229.19518	1.5
233.15517	0.8
239.17940	4.0
245.13866	1.1
247.20688	1.4
251.16380	5.5
255.15877	35.6
257.18820	6.7
267.15915	6.3
268.16269	2.1
269.17450	100.0
270.17661	0.9
275.20053	17.2
283.15140	1.1
285.16888	1.6
293.21155	2.2
305.17535	1.1
309.16885	0.9
309.20346	1.1
331.22461	1.2
335.09103	2.0
349.23706	64.2
350.23959	1.0
364.12521	0.8
367.24768	28.5
370.08966	1.0
373.18781	1.0
389.18118	1.9
391.24631	1.2
393.65976	0.9
397.29785	1.0
398.67102	1.0
403.11636	5.0
413.21646	4.2
417.21118	1.9
460.27704	1.2
461.28186	3.2
475.27051	1.4
479.29343	1.9
493.27539	1.7
511.28857	6.3
529.29974	2.1
565.17102	2.0
645.81781	0.8
706.26587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2271
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
53.03926	0.1
55.01861	0.1
55.05493	0.2
57.03437	0.6
61.02881	0.1
63.86237	0.1
67.01839	0.2
67.05496	0.1
68.99798	0.2
69.03424	0.6
69.07054	0.1
69.31200	0.8
69.31627	0.2
70.06589	0.5
71.04985	3.4
72.08147	0.5
73.02904	0.2
75.04459	0.3
77.23805	0.1
79.05477	0.2
81.03404	0.5
81.07019	0.1
83.04956	0.4
84.08131	0.1
85.02894	4.2
85.28737	0.1
86.06034	0.1
86.09703	0.2
87.04456	0.2
91.05453	0.5
95.04942	0.3
95.08530	0.1
97.02869	0.5
97.06495	0.1
98.06049	0.1
98.09683	0.1
98.21449	0.2
99.04432	0.2
101.06119	0.1
103.03902	0.1
103.05418	0.2
105.07018	0.3
107.04949	0.1
107.08554	0.1
109.02871	0.4
109.06490	0.1
111.04427	0.2
112.07597	0.2
114.09183	0.1
114.10263	0.1
119.04102	0.1
119.04935	1.3
119.08595	0.1
120.05310	0.1
121.02815	0.4
123.04397	0.2
124.07490	0.1
127.03907	1.6
128.04233	0.1
129.05460	1.1
131.04889	0.5
133.02888	0.1
133.06480	0.2
133.10081	0.1
137.05957	0.2
138.05447	0.1
140.06987	0.1
144.08032	0.2
145.02827	0.5
145.04929	0.1
147.04391	1.4
147.06505	0.3
148.04738	0.2
150.70979	0.1
151.07552	0.1
153.01819	2.6
153.05476	0.1
161.05963	0.3
163.03929	0.4
163.06219	0.1
163.07532	0.3
167.07019	0.9
171.02861	0.8
175.03848	0.1
177.05435	0.2
187.03989	0.1
191.03296	0.2
197.05959	0.1
203.07007	0.2
203.38968	0.1
207.06371	0.2
211.09668	0.1
225.05441	0.3
229.04916	0.2
243.06371	0.2
270.05096	0.1
271.05975	100.0
272.06320	3.0
272.09265	0.1
275.11224	0.1
285.07431	0.1
299.09155	0.1
313.07123	0.2
328.13733	0.1
381.09778	0.3
417.11832	0.2
433.11279	1.6
444.65393	0.1
505.62262	0.1
561.16614	0.1
579.17017	5.9
580.17078	0.3
725.24805	0.2
725.38281	0.2
757.84186	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	725.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03942	1.1
55.01872	0.3
57.03449	0.4
59.74086	0.2
60.04515	0.2
61.02932	0.3
63.02393	0.2
65.03944	0.3
67.05505	0.5
68.99802	0.2
69.03427	1.5
69.07061	0.4
69.70084	0.3
69.70500	0.9
70.06583	0.3
71.04993	0.4
72.08148	0.4
73.02918	0.3
77.03928	0.7
79.05493	0.5
81.03421	1.1
81.07042	1.0
83.01356	0.2
83.08609	0.2
84.08153	0.3
85.02906	1.1
91.05471	1.4
93.07035	0.5
95.04961	2.7
95.08591	0.6
97.02885	1.1
98.09701	0.3
99.04433	0.3
102.04655	0.5
103.05460	44.2
104.05775	0.5
105.03405	0.3
105.04498	0.5
105.07037	0.9
106.07302	0.2
107.04958	0.6
107.08582	0.5
109.02868	0.9
109.06507	0.2
109.10143	0.2
111.04437	0.4
114.09172	0.2
115.05449	0.3
117.06991	0.3
119.04942	1.8
119.08568	0.3
121.02863	4.6
121.06495	0.3
121.10135	0.5
123.04436	0.8
123.08085	0.4
127.03918	1.9
129.07025	0.4
131.04916	100.0
132.04391	0.2
132.05275	0.7
133.06468	0.3
133.10062	0.5
135.04402	0.4
135.11688	0.4
137.05978	0.5
137.09560	0.2
139.03931	0.2
143.08444	0.2
144.08067	0.5
145.02841	0.9
145.10100	0.4
147.04419	1.5
147.11652	0.3
149.05975	0.7
151.11230	0.2
153.05495	0.2
153.06906	0.2
157.10165	0.2
161.05972	0.5
163.03900	0.4
167.07028	1.0
173.02327	0.3
173.05960	0.3
175.03896	1.1
177.05426	0.9
178.04956	0.3
179.03358	0.3
183.02882	0.4
187.03810	0.4
189.01828	0.6
191.03334	1.6
194.02007	0.2
195.02885	0.5
199.07526	0.2
201.01781	0.2
201.05437	0.3
203.03381	0.6
205.04903	0.3
206.04506	0.3
207.02939	0.9
207.06471	2.1
209.04446	0.5
217.04965	0.3
219.02850	1.1
221.04282	0.3
227.06815	0.2
229.05002	0.2
231.02769	0.3
233.08008	0.2
239.06905	0.2
251.06837	0.3
255.06531	0.5
257.04486	0.2
267.06427	0.4
268.07272	0.4
271.05936	0.3
273.07611	0.2
279.06561	0.7
280.07443	0.4
281.08093	0.9
283.05988	1.3
284.06824	0.2
285.04364	0.2
285.07623	0.4
291.06461	0.4
293.07333	0.4
293.10229	5.8
294.05179	1.6
295.06030	4.5
296.06659	0.3
297.07462	0.9
305.08008	0.2
307.05984	8.2
307.09518	0.4
308.06735	2.7
309.07547	6.4
313.07007	2.0
315.08679	0.3
319.05923	1.4
320.06863	0.4
321.07501	2.7
322.08182	0.5
323.05627	0.3
323.09045	0.5
325.07047	4.4
325.10864	0.2
333.07474	0.7
335.05396	0.4
335.09103	0.6
336.06241	0.2
337.07034	17.2
338.07437	0.4
339.08649	0.5
341.06671	0.2
347.09113	2.0
349.07092	2.1
351.08734	1.5
352.09000	0.2
355.08142	2.1
361.06955	2.1
363.08536	0.5
364.15973	0.2
365.06238	0.3
365.10300	0.3
367.08069	1.1
373.07059	0.5
375.08746	1.2
379.08041	3.4
387.08539	0.2
391.08047	2.3
393.09451	0.3
395.08951	0.4
396.09583	0.4
397.09161	0.5
403.07996	2.4
409.09525	1.5
415.09888	0.8
417.10028	0.3
421.09235	3.9
425.10217	0.3
427.10147	0.4
429.11722	1.1
433.11612	1.0
437.09830	0.4
439.10529	4.4
443.10397	0.2
445.09332	0.4
449.09891	0.5
453.09186	0.2
457.11270	17.7
458.11542	0.3
463.10782	0.5
467.11142	0.7
475.11655	0.6
481.11261	1.2
485.12289	5.5
487.10901	0.3
491.10944	0.2
493.11774	0.3
499.12360	1.2
505.12039	0.4
509.12003	0.4
511.12103	0.6
523.12787	1.4
541.13342	1.0
542.65283	0.2
551.13226	0.5
559.14502	1.4
569.14258	1.4
575.74219	0.2
577.15375	1.6
587.15411	8.5
588.15564	0.3
605.16486	14.3
606.16571	0.2
611.15735	0.3
653.16791	0.3
671.16437	0.4
689.18585	0.8
707.19788	1.9
725.20593	2.7
725.39349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01839	2.4
55.05507	7.6
56.65668	0.6
57.03429	9.1
57.07069	0.6
61.02902	0.6
65.03899	0.9
67.05495	14.7
69.03429	3.9
69.07073	3.9
69.98460	1.1
69.98884	2.3
71.04971	2.0
72.08122	0.6
73.02906	0.7
79.05064	0.9
79.05486	14.1
81.03413	63.5
81.06583	0.8
81.07047	15.9
83.04536	0.7
83.04974	7.9
83.08141	0.9
83.08610	16.6
85.02435	0.7
85.02901	8.9
85.06519	0.8
86.27553	0.5
91.05477	16.8
93.07033	9.9
95.04964	21.9
95.08601	6.7
97.02893	3.6
97.06502	2.1
97.10168	5.1
98.21443	0.6
99.04455	0.7
105.03361	0.6
105.06374	0.9
105.07022	12.1
107.04276	0.7
107.04938	6.4
107.08590	5.1
109.06519	3.8
109.10171	3.4
111.04398	1.6
111.07495	0.6
111.08080	7.2
113.05985	0.9
115.05472	0.6
117.06996	2.0
119.04900	0.9
119.08569	13.4
121.06489	3.5
121.10136	6.4
123.04379	1.4
123.08040	2.2
123.11702	1.1
125.09599	3.3
127.03873	1.7
129.07005	8.6
131.04951	1.2
131.08568	8.2
133.06442	3.7
133.10106	6.5
135.08014	1.8
135.11674	1.4
137.05952	1.0
137.09573	1.6
141.07024	0.5
142.07722	2.0
143.08554	0.8
145.06453	2.8
145.10100	1.9
147.04352	0.9
147.08057	3.5
147.11690	9.9
149.05989	1.2
149.09618	4.6
151.07413	0.5
152.63103	0.6
155.08524	0.9
157.06473	0.7
157.10114	10.7
159.08130	0.6
161.05971	0.6
161.09532	0.7
163.11134	2.0
165.12733	2.3
167.07014	1.6
167.08485	0.8
171.08002	0.9
171.11572	0.8
175.11165	9.9
176.60310	0.5
181.10046	0.6
183.11594	0.5
187.07596	0.8
189.11227	1.2
189.12691	0.7
193.12225	30.1
195.11684	1.1
197.13287	0.8
203.10783	0.6
205.12251	1.1
207.06429	0.7
211.11292	1.0
211.13298	12.2
215.14378	0.7
223.13309	0.7
227.12598	1.0
229.14267	2.0
233.15533	0.7
237.12677	0.8
249.14867	2.5
255.13803	1.6
265.06189	0.6
267.15897	100.0
268.16275	0.9
273.14792	4.2
283.15439	1.4
285.16928	14.8
339.23160	1.1
341.20694	1.1
349.21432	2.2
357.24051	1.0
365.23352	0.8
367.22650	7.1
385.23727	10.0
403.24774	3.0
405.24414	1.1
415.24756	0.6
423.24850	0.5
433.25848	14.4
441.26251	6.3
459.27396	79.5
460.27808	2.0
465.50061	0.7
477.28470	48.7
478.28726	1.0
491.29874	0.7
509.31387	0.9
519.29401	1.4
545.17743	0.7
585.30127	0.8
707.23254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01621	0.4
55.01866	4.2
55.05252	0.5
55.05504	6.0
57.03187	0.4
57.03436	5.6
57.07066	0.7
59.04987	0.6
61.02635	0.3
61.02920	4.4
64.20129	0.2
65.03928	0.9
66.04700	0.3
66.05111	0.2
67.05497	22.9
68.11570	0.3
69.03418	3.1
69.06711	0.5
69.07059	6.7
70.06573	0.4
71.04987	3.1
71.63554	0.4
73.02921	1.5
73.06564	0.3
74.06049	0.2
77.03913	0.5
78.23222	0.3
79.05484	13.3
81.03411	4.6
81.07047	26.8
82.07388	0.5
83.04971	5.7
83.08619	3.1
85.02414	0.5
85.02897	6.7
85.06529	3.1
87.04459	0.7
91.03951	3.8
91.05469	22.0
93.07033	17.0
94.07360	0.3
95.01310	0.4
95.04954	5.7
95.08604	7.9
97.02877	3.8
97.06526	3.0
97.10158	1.4
98.09689	0.3
99.04432	2.3
99.08080	0.8
101.05983	0.3
103.03922	0.5
103.05445	0.7
105.07018	19.3
107.04948	3.5
107.08583	19.8
108.08936	0.4
109.02858	1.1
109.06515	4.2
109.10142	27.6
110.10439	0.4
111.04422	1.0
111.08089	1.7
113.05991	1.7
115.05428	0.9
117.07002	3.1
119.04902	0.8
119.08564	5.5
121.06488	4.1
121.10117	4.2
123.04413	1.6
123.08038	2.1
123.11691	5.5
124.07580	0.8
125.05981	0.6
125.09629	1.2
127.03886	2.4
127.07517	1.9
128.06192	0.8
129.05464	0.9
129.07008	1.7
131.04916	0.4
131.08557	6.2
133.06488	3.3
133.10115	40.4
134.10478	1.0
135.08031	4.3
135.11690	2.6
137.05943	0.8
137.09596	1.1
137.13243	0.4
138.09119	1.1
139.07532	1.1
139.11177	0.4
141.06949	0.3
143.08577	2.2
145.04941	1.6
145.06517	0.6
145.10114	3.3
146.75311	0.3
147.04388	0.5
147.08028	2.3
147.11678	2.1
149.05972	0.6
149.09590	5.3
149.13239	0.8
151.11166	19.2
152.07051	1.3
152.11523	0.3
153.09035	0.3
155.08540	0.4
157.10098	1.7
159.08000	1.5
159.11714	1.8
161.09593	3.8
161.13237	0.9
163.06044	1.4
163.07314	0.4
163.11153	1.8
165.09142	0.5
165.12775	0.4
166.08624	3.7
167.07021	1.1
167.08557	0.3
167.10588	0.5
169.10074	0.5
169.12218	2.8
171.10341	0.3
171.11638	1.4
173.09654	0.7
173.13211	0.6
175.11166	1.9
175.14767	0.5
177.05504	0.3
177.09067	2.2
177.12663	0.7
179.10585	1.3
181.10098	0.4
181.12180	0.6
183.11623	0.4
184.09630	0.3
185.13223	0.8
187.11086	0.5
189.12776	1.0
189.16391	0.3
191.10735	0.5
191.14240	0.3
193.08511	0.4
193.12238	0.7
195.13788	0.3
197.11694	0.6
197.13292	0.3
199.11203	0.6
199.41756	0.3
201.16466	0.3
203.14236	0.4
205.12280	0.4
207.06563	0.4
207.13751	0.7
209.11534	0.3
211.13235	0.6
213.16302	0.3
215.12737	1.9
217.12178	0.5
217.19418	0.3
224.38959	0.3
225.14786	0.3
227.12512	0.4
227.17928	0.9
229.14369	0.8
237.16318	0.5
245.18967	2.0
251.12773	0.7
253.14320	72.9
254.14717	1.3
255.17590	1.4
263.20047	2.5
267.15961	0.7
269.13818	1.8
269.17709	0.4
271.15363	9.1
273.18463	9.5
273.95154	0.3
283.15585	0.7
285.16959	2.1
291.19513	10.4
292.19958	0.3
301.16418	0.5
309.20636	1.1
321.24564	0.5
347.18222	0.5
347.22162	6.9
365.23184	100.0
366.23428	3.1
379.11688	0.5
383.24277	2.6
393.13159	0.5
397.12656	0.5
411.14362	1.0
415.19620	1.0
419.15033	0.4
459.27155	0.4
477.28284	0.5
489.98630	0.3
491.26126	0.4
495.29437	0.4
509.27844	0.5
509.30667	0.4
527.28363	4.1
540.46442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01857	5.1
55.05505	24.8
57.03428	8.2
57.07063	3.0
65.03924	4.2
67.05499	75.2
69.03417	8.4
69.07066	15.7
71.04990	19.4
71.63043	5.1
73.14441	2.1
76.44098	2.1
79.05489	40.4
81.03407	25.0
81.07050	100.0
83.04520	2.1
83.04969	15.7
83.08627	13.5
85.06541	6.3
87.09197	2.2
91.05471	37.2
93.07035	52.4
95.04951	9.9
95.08600	38.3
97.02879	5.1
97.06528	8.0
97.10176	3.9
105.06366	3.4
105.07022	26.9
107.04953	2.5
107.08591	30.8
108.66960	2.1
109.02879	4.4
109.06489	3.7
109.10154	16.6
111.04432	4.1
117.07011	9.0
119.08591	14.0
121.10130	17.0
123.11709	15.7
127.03908	3.2
129.05492	8.0
131.08583	13.9
133.10132	27.9
135.11664	11.6
143.08563	2.6
145.10089	9.2
145.58696	2.3
147.11610	7.6
149.13232	11.0
151.11153	6.0
156.33350	2.5
157.10069	4.1
159.11699	10.2
161.13251	3.4
171.11685	2.2
173.04465	8.7
173.13258	3.1
177.12802	4.6
183.13808	5.6
187.13269	9.4
187.14793	2.6
195.13739	3.5
241.19548	2.5
243.02617	2.6
243.15959	5.2
265.91873	2.4
269.17407	10.2
335.25729	30.4
339.17957	3.4
445.24313	4.7
503.37253	45.3
505.38708	9.3
517.38763	6.6
529.38855	16.1
561.41449	51.1
626.29095	2.6
647.41168	3.2
673.43219	12.0
705.45178	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	724.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.88731	0.5
55.01857	1.6
55.05511	3.1
57.03435	6.9
58.06588	1.6
58.92208	0.5
59.04994	2.1
61.02910	1.8
67.05518	0.7
67.33147	0.4
68.50761	0.5
68.99792	1.0
69.03425	6.1
69.62392	4.1
70.06587	4.2
71.01334	1.0
71.04987	45.5
72.08150	4.9
73.02925	2.9
74.06110	0.6
75.01362	0.5
75.04483	4.5
79.05490	1.6
81.03400	3.4
81.07056	0.7
82.06577	1.7
83.04974	5.5
84.04500	1.3
84.08144	4.4
85.02897	70.3
85.05257	0.7
86.06061	15.5
86.09690	1.0
87.04438	2.6
89.10783	0.9
91.05460	2.6
93.03370	0.6
94.06576	3.9
95.04962	3.8
95.07343	0.9
96.08134	0.6
97.02879	8.3
97.06535	0.6
98.06048	1.5
98.09674	1.4
99.04446	3.1
100.07607	22.8
101.06009	1.9
103.03935	0.7
103.05479	0.8
105.03435	0.8
105.07010	1.4
107.04941	2.5
107.08599	0.7
109.02870	2.5
110.06039	0.5
111.04444	3.6
112.07586	5.7
114.10249	0.5
115.05440	0.5
116.07027	0.6
117.05473	1.1
119.04900	3.1
121.02878	1.4
121.06514	1.6
123.04433	2.5
125.06039	0.6
126.09156	1.7
126.10180	1.0
127.03917	8.3
128.08162	0.6
128.10706	1.5
129.05479	15.5
129.10233	1.0
131.04982	0.5
133.06502	0.7
135.04419	3.5
136.07573	1.9
137.05959	1.6
139.03888	0.7
141.05467	1.5
145.02853	0.6
145.04947	2.0
146.09248	0.9
146.11649	0.5
147.03221	0.7
147.04399	13.4
147.06459	3.7
148.04784	0.9
149.05951	1.4
151.03879	1.1
152.07083	0.8
153.01836	1.6
161.06006	1.8
163.03889	8.6
163.05989	0.8
165.01822	7.9
165.05450	1.2
167.07004	2.5
171.02928	0.9
171.04416	0.7
175.03931	0.8
175.14801	1.0
176.07034	0.9
177.05484	2.8
179.03349	4.8
183.02885	9.1
184.07452	0.5
187.03937	1.0
191.03378	100.0
192.03659	1.2
192.36011	0.5
193.08638	0.7
203.03409	1.2
205.04974	5.2
209.04402	7.1
209.07945	0.7
215.03384	4.6
221.04424	0.6
223.05963	0.5
229.05124	0.5
233.04431	35.3
235.14485	0.7
245.10033	0.6
246.07637	8.7
247.05977	6.8
251.05536	1.0
257.04489	1.0
263.09616	0.5
264.08728	1.5
269.08060	1.9
273.07571	1.3
275.05444	0.6
285.07581	7.8
290.15967	1.7
299.05460	0.7
309.07495	0.9
311.09113	33.0
312.09402	0.6
325.07275	0.8
335.09039	4.9
353.10199	8.7
366.13303	21.8
367.11630	5.6
377.09756	0.8
384.14395	30.4
398.15952	32.1
399.16702	0.7
407.10315	0.5
416.16992	20.7
426.15088	0.9
429.10458	0.5
444.88354	0.6
452.21268	1.7
528.18494	2.1
546.19568	2.0
560.21075	0.9
586.23248	0.6
619.19177	0.6
674.23926	3.9
692.25360	5.1
706.26959	36.7
707.26697	0.9
724.27692	36.5
725.27679	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	723.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90668	2.2
53.03940	7.2
55.05511	18.8
57.03429	9.8
60.65747	2.5
64.48921	1.9
65.03924	2.2
67.05502	69.2
69.03421	7.4
69.07062	15.3
69.52347	19.4
71.04996	22.9
71.08606	1.9
73.12737	2.1
79.05492	32.2
81.03408	21.9
81.07051	100.0
83.04985	19.9
83.08611	7.4
85.02932	3.0
85.06541	7.5
89.06049	2.8
91.05479	38.6
93.07040	39.1
95.04967	8.6
95.08601	35.7
97.02875	5.7
97.06542	5.8
97.10195	2.8
99.04431	3.4
101.06059	2.2
105.07034	21.8
107.04987	2.4
107.08591	28.3
109.02878	4.2
109.06540	4.1
109.10149	17.6
111.04414	2.6
117.07011	8.1
119.08590	11.7
121.06506	3.9
121.10137	17.6
123.11711	14.3
125.09602	2.2
127.03918	4.3
129.05457	7.3
129.06990	3.8
131.08545	13.7
133.10127	21.0
135.11688	13.0
145.10124	9.4
147.11670	8.4
149.09647	3.5
149.13239	9.6
151.11192	6.1
157.10127	2.5
159.11693	11.3
161.13182	2.9
173.04480	8.4
173.13226	3.8
176.61092	2.0
177.12762	4.0
183.13814	3.7
184.07312	3.2
187.13322	8.5
195.13779	4.0
240.26906	2.2
243.15865	5.2
252.14705	2.1
261.22147	4.1
269.17471	8.3
301.20087	5.9
335.25800	31.2
387.25595	2.4
445.24301	3.8
485.36133	2.9
503.30334	4.0
503.37277	50.2
505.38876	13.0
517.39282	2.5
529.38928	12.9
561.41479	54.9
612.21094	2.6
655.41217	2.6
673.42767	8.2
691.43793	3.1
705.45953	10.4
723.44910	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	723.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63901	0.3
53.03907	0.5
55.01848	0.4
56.96558	4.2
57.03415	0.9
61.02882	0.7
64.55357	0.3
69.03430	2.8
69.57741	3.0
70.06548	1.3
71.04956	1.1
72.08150	2.1
73.02884	0.9
74.97567	0.5
79.53209	0.4
81.03388	1.1
84.08118	0.8
84.96020	1.8
85.02902	6.1
86.03206	0.4
87.04433	0.8
91.05434	0.3
97.02885	2.7
98.97569	15.4
99.04420	0.8
102.97004	0.4
109.02858	0.8
110.02434	0.5
110.97527	2.6
116.98609	14.7
119.01836	0.8
119.04880	0.4
126.05476	0.5
127.03895	3.2
128.98593	7.7
131.00130	0.5
134.98625	0.5
134.99641	9.0
138.05505	1.6
140.00139	0.8
140.98611	1.4
143.00154	4.7
143.01877	0.5
145.01665	0.5
145.04913	1.6
146.99637	11.2
147.04327	1.7
149.01172	1.4
152.98520	0.6
152.99585	2.1
153.00688	0.6
155.01830	0.4
158.01247	0.5
158.99635	10.1
160.99953	0.5
161.01221	9.3
161.02603	0.7
162.00172	0.9
163.02711	0.4
165.00719	2.5
167.07076	0.5
168.00168	2.1
170.01204	0.4
170.99629	9.6
173.01189	1.0
173.02887	0.5
174.00014	0.6
174.99023	0.4
176.11018	0.4
177.00697	15.7
177.04037	0.4
179.02336	2.0
180.00047	0.5
182.99567	5.8
185.01237	0.4
185.02841	0.6
186.02916	0.4
186.04607	0.7
189.00696	20.2
191.02216	1.1
191.03682	0.6
195.01701	1.3
198.01175	1.8
200.02197	1.1
200.04077	0.3
201.00688	35.5
202.01060	0.8
203.02252	0.5
204.01201	1.3
207.01775	3.3
210.01286	0.9
212.02316	1.3
213.00708	2.8
219.01750	35.1
220.02042	0.6
224.02263	1.4
225.00533	0.6
230.52448	0.5
231.01712	4.9
237.02797	16.4
240.02295	2.3
242.03346	1.8
242.99368	0.7
243.01759	12.2
245.04918	1.8
247.04965	0.5
249.02812	1.1
251.53067	0.6
255.03790	1.3
260.04407	0.9
261.02789	63.0
262.03165	1.2
267.07037	0.4
270.03381	0.5
273.02786	4.8
273.07538	0.5
277.05603	0.3
278.05573	0.5
279.03857	39.4
280.04288	0.9
281.07071	1.3
284.04272	1.0
285.02615	0.4
291.03815	14.1
295.89343	0.3
297.04840	1.5
299.05154	0.4
300.04349	1.3
302.05405	4.7
303.03867	1.4
309.04837	1.6
314.05368	0.8
321.04892	31.4
333.04892	3.6
345.05057	0.6
351.05927	7.9
362.09595	0.7
363.06070	1.5
364.15686	0.4
380.11295	0.7
380.59662	1.4
381.06973	17.9
381.11578	1.5
381.57321	1.1
381.61957	0.9
382.07422	0.5
388.10437	0.4
399.08054	17.6
400.08435	0.4
422.09555	1.6
423.08035	1.5
441.09119	100.0
442.09464	2.6
453.09018	3.0
471.10031	2.2
501.11505	2.9
543.12189	2.2
552.12445	0.4
559.16736	0.4
663.14209	0.4
723.21350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63901	0.3
53.03907	0.5
55.01848	0.4
56.96558	4.2
57.03415	0.9
61.02882	0.7
64.55357	0.3
69.03430	2.8
69.57741	3.0
70.06548	1.3
71.04956	1.1
72.08150	2.1
73.02884	0.9
74.97567	0.5
79.53209	0.4
81.03388	1.1
84.08118	0.8
84.96020	1.8
85.02902	6.1
86.03206	0.4
87.04433	0.8
91.05434	0.3
97.02885	2.7
98.97569	15.4
99.04420	0.8
102.97004	0.4
109.02858	0.8
110.02434	0.5
110.97527	2.6
116.98609	14.7
119.01836	0.8
119.04880	0.4
126.05476	0.5
127.03895	3.2
128.98593	7.7
131.00130	0.5
134.98625	0.5
134.99641	9.0
138.05505	1.6
140.00139	0.8
140.98611	1.4
143.00154	4.7
143.01877	0.5
145.01665	0.5
145.04913	1.6
146.99637	11.2
147.04327	1.7
149.01172	1.4
152.98520	0.6
152.99585	2.1
153.00688	0.6
155.01830	0.4
158.01247	0.5
158.99635	10.1
160.99953	0.5
161.01221	9.3
161.02603	0.7
162.00172	0.9
163.02711	0.4
165.00719	2.5
167.07076	0.5
168.00168	2.1
170.01204	0.4
170.99629	9.6
173.01189	1.0
173.02887	0.5
174.00014	0.6
174.99023	0.4
176.11018	0.4
177.00697	15.7
177.04037	0.4
179.02336	2.0
180.00047	0.5
182.99567	5.8
185.01237	0.4
185.02841	0.6
186.02916	0.4
186.04607	0.7
189.00696	20.2
191.02216	1.1
191.03682	0.6
195.01701	1.3
198.01175	1.8
200.02197	1.1
200.04077	0.3
201.00688	35.5
202.01060	0.8
203.02252	0.5
204.01201	1.3
207.01775	3.3
210.01286	0.9
212.02316	1.3
213.00708	2.8
219.01750	35.1
220.02042	0.6
224.02263	1.4
225.00533	0.6
230.52448	0.5
231.01712	4.9
237.02797	16.4
240.02295	2.3
242.03346	1.8
242.99368	0.7
243.01759	12.2
245.04918	1.8
247.04965	0.5
249.02812	1.1
251.53067	0.6
255.03790	1.3
260.04407	0.9
261.02789	63.0
262.03165	1.2
267.07037	0.4
270.03381	0.5
273.02786	4.8
273.07538	0.5
277.05603	0.3
278.05573	0.5
279.03857	39.4
280.04288	0.9
281.07071	1.3
284.04272	1.0
285.02615	0.4
291.03815	14.1
295.89343	0.3
297.04840	1.5
299.05154	0.4
300.04349	1.3
302.05405	4.7
303.03867	1.4
309.04837	1.6
314.05368	0.8
321.04892	31.4
333.04892	3.6
345.05057	0.6
351.05927	7.9
362.09595	0.7
363.06070	1.5
364.15686	0.4
380.11295	0.7
380.59662	1.4
381.06973	17.9
381.11578	1.5
381.57321	1.1
381.61957	0.9
382.07422	0.5
388.10437	0.4
399.08054	17.6
400.08435	0.4
422.09555	1.6
423.08035	1.5
441.09119	100.0
442.09464	2.6
453.09018	3.0
471.10031	2.2
501.11505	2.9
543.12189	2.2
552.12445	0.4
559.16736	0.4
663.14209	0.4
723.21350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01864	3.6
55.05506	8.1
57.03432	6.5
57.07058	0.5
59.04987	1.0
61.02905	0.5
62.12018	0.2
65.03928	0.6
67.05498	9.1
69.03423	1.9
69.07056	2.8
69.35653	0.5
69.36061	2.1
71.01350	0.5
71.04990	1.7
72.56729	0.2
73.02885	0.2
79.05486	11.1
81.03408	29.8
81.07047	10.6
81.07442	0.2
83.01328	2.4
83.04972	5.2
83.08609	10.3
83.09110	0.5
85.02898	2.3
85.06544	0.6
91.05474	9.6
93.07033	11.4
95.04956	10.2
95.08589	4.9
97.02885	2.0
97.06519	2.1
97.10157	4.3
98.09700	0.8
99.04453	0.9
99.08095	0.7
103.05482	0.5
105.07017	7.4
107.04269	0.2
107.04945	6.1
107.08577	6.9
109.02862	1.0
109.06506	3.2
109.10139	3.0
111.04411	1.6
111.08068	3.4
113.05953	0.2
115.05433	0.6
117.07008	3.6
117.37344	0.2
119.04929	1.0
119.08569	7.2
121.02864	0.2
121.06490	3.1
121.10127	4.4
123.04406	1.3
123.08047	3.6
125.02368	0.3
125.05978	0.6
125.09617	4.3
127.03888	1.2
128.06194	0.4
129.05515	0.4
129.06985	4.0
129.07889	0.3
130.07846	0.3
131.04915	1.0
131.08546	4.8
133.06490	2.0
133.10114	3.1
134.10471	0.3
135.04390	0.6
135.08035	1.6
135.11671	4.0
137.05998	0.9
137.09621	1.3
141.06984	0.5
141.09111	0.4
142.07811	0.5
143.08565	1.2
145.06462	1.8
145.10106	6.0
147.04378	1.4
147.08031	2.6
147.11664	2.8
149.05968	0.8
149.09615	2.1
151.07515	0.4
151.11172	0.2
153.09081	0.4
153.12729	1.6
155.08533	0.9
157.06502	0.9
157.10115	3.5
159.04393	0.3
159.08046	0.7
159.11687	0.4
160.05122	0.3
161.05940	2.3
161.09654	0.8
161.13184	0.3
163.07440	0.5
163.11162	8.1
165.12744	0.5
167.07048	0.7
167.08461	0.5
169.06534	0.4
169.10089	0.5
171.08032	0.8
171.11626	0.5
173.05984	0.7
173.09622	2.0
173.11812	0.4
175.03886	0.5
175.07549	0.6
175.11162	3.6
177.12686	0.4
181.10178	0.4
181.12263	1.3
183.08115	0.3
183.11633	0.5
185.09625	0.5
185.13264	0.9
187.07550	0.5
187.11198	0.7
189.09125	0.9
189.11090	1.2
191.10658	1.4
193.10382	0.4
193.12221	7.5
195.08009	0.3
197.06218	0.3
197.09605	0.4
199.11169	0.3
199.14879	0.3
201.09111	0.3
201.12753	0.4
203.14308	0.4
205.12257	0.9
207.06581	0.9
209.11630	1.9
211.11177	0.7
211.13309	0.8
213.12756	0.8
223.13234	0.5
225.12773	0.5
225.14729	0.3
227.10687	0.4
227.12708	2.6
229.12178	0.4
231.13853	1.4
235.11186	0.3
239.10611	0.3
243.13779	0.8
245.15488	0.2
249.14883	0.8
253.12163	0.4
259.13284	0.3
265.14359	1.0
267.15881	20.8
269.15393	0.9
271.13245	1.2
273.14896	1.3
283.15366	16.2
289.14291	2.0
301.14264	0.4
303.15903	0.4
325.06934	0.4
337.21497	0.8
339.48947	0.2
347.19919	0.6
355.22601	1.6
365.21045	3.1
373.23764	0.4
383.22131	12.4
401.23193	6.0
407.24408	0.6
411.14316	0.4
419.24179	1.7
421.23727	0.4
431.24179	1.0
439.24722	1.5
457.25806	23.2
458.26074	0.6
475.26874	100.0
476.27148	2.6
493.27927	9.1
499.26639	0.3
517.28204	1.4
583.28461	0.4
601.30591	0.3
619.30994	0.3
722.23096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01862	1.4
55.05499	2.8
56.20638	0.7
57.03435	11.5
58.06578	0.8
59.04981	2.0
61.02907	1.6
65.03929	1.0
67.58526	0.8
68.99779	0.9
69.03414	3.6
69.45376	0.9
70.06599	5.5
71.01340	1.6
71.04988	63.1
71.61878	0.7
71.62318	1.4
72.08149	6.9
73.02898	2.7
73.64002	0.8
75.04465	3.6
79.05518	1.0
81.03404	2.5
82.06573	1.6
82.43227	0.8
83.04971	4.3
84.08149	6.2
85.02898	66.6
86.06047	1.4
86.09689	2.1
87.04462	2.3
88.03997	7.3
91.05442	2.6
91.48528	0.8
95.04927	1.4
95.33658	0.8
97.02870	4.1
97.59232	0.8
98.06036	3.9
98.09652	1.8
99.04433	3.0
99.25980	0.8
100.02187	0.9
100.07631	1.0
101.06010	1.6
105.07005	1.8
106.39263	0.9
107.04941	1.7
107.08669	0.8
109.02853	2.8
110.02368	0.9
111.04418	3.1
119.04916	3.7
121.02855	16.1
121.10148	1.0
127.03903	5.2
128.10677	0.9
129.05464	6.5
137.02362	0.9
137.05946	1.8
138.05455	1.1
141.10065	0.8
142.08612	1.4
144.06551	14.3
145.02818	2.3
145.04929	1.1
146.02704	1.0
146.11778	0.9
147.04381	7.5
147.06503	0.9
148.04770	1.0
152.07047	1.9
163.03909	1.5
163.07460	0.9
164.07048	1.1
167.07039	5.2
168.67703	0.8
170.39113	0.8
177.05490	1.1
178.04787	0.9
178.08600	1.0
180.10289	1.9
181.05003	1.5
187.03842	2.4
191.03438	2.0
203.03395	4.1
205.04910	4.9
207.02806	0.9
208.09599	1.4
215.03313	4.3
215.07019	1.0
219.06456	1.1
221.04362	2.8
233.04440	5.9
241.01283	1.7
243.02943	2.0
245.04318	1.1
253.01346	1.8
255.06335	0.9
259.02371	3.9
267.02832	0.9
268.07022	1.0
271.02313	12.7
271.05618	1.7
277.03473	1.3
279.06430	1.4
280.07452	1.1
281.07996	4.2
283.06036	1.8
285.04083	1.3
289.03436	3.2
290.12442	1.3
290.15775	0.9
291.06424	1.1
293.07974	1.5
294.05225	15.3
295.05997	6.7
295.09631	2.1
296.06577	1.9
297.07663	1.9
299.05475	1.1
305.08109	2.9
307.05963	9.8
308.06726	18.2
309.04016	1.9
309.07352	9.0
313.03571	1.5
319.05939	1.7
320.06604	2.7
321.03799	1.2
321.07544	20.7
322.08234	5.5
323.05664	1.4
323.09073	8.2
325.03616	1.2
325.07086	5.2
327.08630	2.5
329.07648	1.0
331.05893	2.8
332.06775	2.8
333.07523	28.4
334.07916	1.9
335.05475	1.6
335.08994	4.4
336.06326	1.6
337.07056	3.9
339.08551	18.6
340.09467	0.9
343.05920	11.4
345.07422	2.5
346.08264	1.2
347.05615	1.5
347.09131	4.8
348.84882	0.9
349.06982	2.5
350.07657	1.0
351.08615	87.1
352.08908	3.1
353.06592	1.3
356.06528	1.2
357.07550	2.2
359.05408	2.3
359.09244	1.4
361.06924	11.3
361.10773	1.7
362.10443	1.1
363.08456	7.9
365.06171	4.1
365.10239	3.9
367.07840	1.8
369.09766	8.9
371.05334	10.6
371.09021	0.9
375.08578	4.8
377.06512	25.7
377.11075	1.3
378.06735	1.1
379.08078	2.8
381.09637	5.9
385.06964	2.8
387.08563	2.4
389.06485	66.2
390.06979	2.0
391.08121	2.8
392.11276	2.3
393.09552	18.2
395.07556	7.1
397.06705	1.3
399.08694	1.7
401.06250	1.6
403.08081	2.9
405.09796	11.7
407.07510	32.3
407.12491	1.9
409.09222	1.3
413.06744	1.9
414.11868	2.7
415.08377	1.7
417.09836	8.6
419.07678	3.9
423.10910	2.5
425.08664	15.5
427.08249	3.0
431.07578	16.2
435.10828	8.6
443.07578	8.0
449.08673	6.3
453.11917	5.1
455.07391	7.7
456.12894	60.7
461.08514	4.5
471.12854	7.7
473.08624	10.6
480.13110	8.9
486.13785	1.0
489.13828	1.8
491.09683	7.4
509.10831	5.9
510.13620	2.3
527.11835	15.1
540.14978	10.4
545.12848	9.1
558.16040	100.0
559.16113	3.1
576.17053	78.9
577.17279	2.0
602.18585	19.0
704.21625	12.9
722.22589	90.7
723.22015	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	719.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69893	0.1
53.03940	1.5
55.01868	0.3
55.05509	0.5
57.03438	0.7
59.04992	0.1
61.02926	0.6
69.03422	5.2
69.49306	0.8
71.01337	0.2
71.04985	1.0
73.02901	0.9
73.27692	0.1
77.12653	0.1
79.43571	0.1
81.03409	5.8
83.01336	0.1
83.04980	0.4
85.02895	11.9
87.04459	0.4
91.03963	0.1
91.05460	0.6
93.56606	0.1
95.04948	0.2
97.02882	6.6
98.21523	0.2
99.04444	9.5
101.02378	0.2
103.03931	7.5
105.03355	0.1
109.02870	6.4
109.10133	0.1
111.04414	0.1
115.03926	0.4
117.03377	0.2
119.04939	0.3
121.02860	0.1
123.04440	0.1
127.03902	16.1
134.03644	0.2
137.04361	0.1
141.05412	0.2
145.04944	5.6
147.04408	1.7
151.03889	0.4
163.03906	0.1
163.06009	1.0
165.05475	0.8
169.04970	0.2
175.03983	0.2
187.04025	0.2
187.05972	1.5
191.03345	0.9
195.07997	0.2
199.06009	0.1
205.06958	0.2
208.03714	0.2
209.04437	1.0
223.07553	0.3
225.05434	0.1
239.06969	0.3
240.07841	0.3
250.06248	0.1
251.07047	0.4
253.04778	0.2
253.07172	0.2
267.06473	1.1
268.07147	0.7
271.08078	0.8
278.05872	0.1
279.06506	0.3
281.04230	0.1
283.09665	0.2
285.07651	0.1
293.08139	0.1
295.05945	1.0
296.06729	2.4
297.07562	0.1
306.05154	0.4
307.05908	0.2
309.04175	0.1
309.07465	0.2
311.09091	1.3
312.06219	0.2
321.07599	0.5
321.71497	0.1
323.05362	1.1
324.06238	32.5
325.06631	0.8
327.08517	0.5
337.07037	0.5
339.08578	100.0
340.08887	2.3
345.09586	0.5
357.09644	23.8
358.10049	0.5
363.08633	0.1
380.12979	0.1
381.09482	0.5
387.10605	0.1
395.14868	5.2
396.15143	0.2
405.09552	0.1
413.15884	87.0
414.16193	1.9
455.17194	0.1
557.20245	0.2
575.21033	0.3
663.18591	0.3
683.24030	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	720.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75883	0.1
53.03948	0.3
57.03435	0.3
67.05487	0.3
68.05006	0.4
69.03432	0.6
69.07051	0.2
69.41012	0.9
69.41443	0.7
70.06587	100.0
71.04988	0.4
71.06918	0.6
72.04480	0.2
72.08147	0.5
73.02911	0.2
79.05499	0.3
81.03405	1.7
81.07062	0.2
82.06600	0.2
83.04964	0.1
84.08123	0.4
85.02898	0.9
90.14003	0.1
91.05471	0.4
94.79176	0.1
95.04943	0.4
97.02882	1.6
98.06044	1.2
98.09670	0.3
99.04454	0.7
103.05434	0.2
105.07044	0.2
107.04935	0.7
107.08553	0.2
109.02872	5.4
110.03139	0.2
110.06046	0.2
111.04461	0.2
112.07598	90.3
113.07267	0.2
113.07874	0.8
114.05524	0.7
116.07080	2.2
117.07043	0.2
119.04970	0.3
121.02877	0.2
123.04417	0.3
124.07561	0.2
127.03909	2.9
127.04785	0.2
128.04202	0.2
128.07066	0.7
129.06992	0.2
133.06462	0.2
133.10156	0.3
137.06030	0.2
138.05476	0.3
138.09135	0.2
140.07054	57.9
141.07388	0.7
145.05002	0.2
145.06535	0.3
145.10220	0.2
147.04405	0.6
151.03914	0.2
152.07068	0.3
153.01802	0.2
158.08118	9.2
159.08188	0.2
161.05984	0.4
167.07047	3.1
170.08139	0.3
173.05989	0.4
175.03802	0.3
175.07437	0.2
175.14857	0.2
177.05357	0.4
178.08629	0.2
181.04889	0.2
181.08563	0.3
187.07478	0.2
188.03793	0.3
188.09216	0.2
191.06895	0.2
200.09218	0.4
205.08582	0.5
207.06555	0.4
209.08064	0.2
212.09169	0.4
217.08620	0.5
219.08063	0.2
224.09142	0.3
230.10213	0.9
231.08015	0.2
231.10202	0.4
242.10217	0.5
247.07533	0.2
260.11264	0.3
265.10431	0.2
266.10226	3.4
267.03641	0.2
267.11041	0.2
271.05997	0.8
276.07834	0.2
284.11270	10.0
302.09137	0.3
302.12302	3.4
307.06143	0.2
307.09378	0.2
314.12305	0.3
351.12222	0.6
371.14688	0.5
379.00659	0.2
383.14847	2.9
385.16528	0.2
401.16043	0.2
439.14468	0.2
460.64716	0.3
499.17032	0.5
517.17725	0.3
544.15503	0.2
579.21802	0.3
605.79474	0.2
720.32190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.84114	0.3
55.01865	1.6
55.05302	0.2
55.05509	2.8
55.22227	0.3
57.03436	1.5
58.06596	0.3
59.04986	0.3
60.04507	1.1
61.02925	0.8
67.05505	0.7
68.05025	0.3
69.03075	0.5
69.03426	7.4
69.06723	0.4
69.07068	6.6
70.06593	3.6
71.01307	0.3
71.04990	2.4
71.08622	3.9
71.63337	0.5
72.08159	0.6
73.02918	2.9
79.05483	1.2
81.03412	10.4
81.07040	1.1
82.06572	0.3
83.04978	15.3
83.08597	0.4
84.04481	1.3
84.08134	1.0
85.02900	18.0
86.02422	1.1
86.03201	0.3
86.06068	0.3
86.09690	0.4
87.04461	1.0
91.03931	0.4
91.05460	0.8
92.26749	0.3
93.07057	0.4
94.06548	0.3
95.04948	0.9
96.04498	0.7
96.08128	1.0
97.02885	14.1
97.06528	3.6
98.06046	0.3
98.09666	1.9
99.04446	11.3
100.07628	0.3
101.02380	0.4
103.03930	3.1
107.04907	0.5
107.08588	0.5
109.02872	24.7
109.06513	0.6
110.02406	0.4
111.04432	0.3
112.07590	1.1
114.05550	0.9
114.09158	5.0
115.03903	0.4
116.07071	0.3
119.04941	0.6
119.08590	0.4
121.02877	0.7
121.06459	0.4
121.10175	0.3
122.06004	0.6
123.04413	1.2
124.03958	0.5
124.07581	0.5
124.11250	1.5
125.06003	0.7
125.11552	0.6
126.05496	0.4
126.09167	0.4
127.03907	100.0
128.04269	0.9
133.06410	0.3
133.10182	0.3
135.08031	0.4
135.11691	0.4
137.05956	0.9
138.05472	1.3
138.09131	1.0
140.07079	0.8
142.08626	33.1
145.04953	6.5
147.04373	1.6
147.11676	0.4
149.05972	0.5
151.03864	0.9
152.07010	0.4
152.10736	0.5
153.01747	0.3
154.08662	0.8
156.10208	1.0
161.06000	0.7
163.03952	0.6
163.06018	0.4
163.07452	0.4
165.05521	0.4
166.08592	0.5
166.19258	0.3
167.07013	2.7
169.04948	0.5
172.09647	0.5
177.05457	0.5
178.05002	0.4
180.03764	0.4
180.10246	0.8
181.04953	0.6
182.08078	0.3
183.11305	0.3
184.09677	16.1
185.08066	0.5
187.06006	2.6
189.09102	0.7
191.03380	0.8
191.07065	0.3
194.08090	0.6
199.05969	0.5
199.80482	0.2
205.07033	1.9
206.04398	0.5
207.06523	0.9
208.09674	8.0
209.08076	0.5
212.09192	0.6
220.09685	1.2
222.11217	0.6
226.10455	0.3
227.07193	0.3
227.09200	1.8
229.05023	0.3
235.05978	0.5
238.10825	1.0
245.10213	5.2
245.12604	0.5
250.10738	5.4
253.07024	1.7
255.06662	0.3
268.08624	0.6
268.11746	5.8
271.08170	4.7
286.12836	12.3
289.09198	1.2
290.07373	0.3
296.11258	0.4
304.13892	30.5
305.14185	0.4
314.12305	0.8
321.07629	0.4
325.07269	0.4
328.14072	0.6
337.06973	0.5
368.17169	1.6
386.18130	2.0
388.16013	1.2
394.14844	1.6
397.11478	0.4
412.15985	7.3
413.17105	0.3
415.12146	0.4
430.17078	1.0
433.13898	0.3
520.17914	0.6
538.19452	0.6
556.20392	1.5
700.27972	1.2
718.29633	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	718.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.2
53.03926	0.3
55.05485	0.2
57.03441	0.2
58.58488	0.2
62.18847	0.2
65.03918	0.3
67.05483	0.6
69.03409	0.6
69.07061	0.4
69.78072	1.1
69.78498	0.3
70.06548	0.2
71.04970	0.3
73.02896	0.3
75.23158	0.2
75.50944	0.2
79.05456	0.4
81.03394	0.8
81.07058	1.1
83.04977	0.4
83.08596	0.2
84.08118	0.2
85.02875	0.8
85.06537	0.3
87.46997	0.2
91.05466	0.5
92.04989	0.2
93.05785	0.2
93.07027	0.8
94.06556	8.8
95.04922	0.2
95.08601	0.9
96.04478	0.6
97.02882	0.5
99.04441	0.2
101.66000	0.2
105.07010	0.5
107.07297	0.3
107.08549	0.4
107.10897	0.2
109.02850	0.4
109.06529	0.4
109.10128	0.5
110.06030	3.4
111.08035	0.2
118.06518	0.2
119.04918	0.2
119.08554	0.3
121.10125	0.5
122.06001	0.3
123.04456	0.2
127.03887	1.1
129.07048	0.2
135.11670	0.2
137.02304	0.2
137.05969	0.4
137.09607	0.6
137.77379	0.2
138.05484	61.8
140.07103	0.3
144.08064	0.2
145.08809	0.2
145.10173	0.3
147.04384	0.6
147.11722	0.3
149.05936	0.2
151.06271	0.6
151.07495	0.2
154.04982	0.3
154.08588	0.4
162.05563	0.2
163.06265	0.5
167.07037	0.6
168.07462	0.2
182.08168	0.4
188.06961	0.2
190.08604	0.2
193.08476	0.2
193.12270	0.4
194.12560	0.2
195.13788	0.3
195.50966	0.2
207.06657	0.2
211.07581	0.4
211.13322	0.6
213.09209	0.2
215.03432	0.2
225.09236	0.2
253.08546	0.2
255.10042	0.5
277.08472	0.2
281.08051	0.4
283.05997	0.2
292.07379	0.3
305.08047	0.3
308.09457	0.2
325.06961	0.3
326.12350	0.6
332.39633	0.2
333.07617	0.7
333.11221	0.2
344.12970	0.5
346.07968	0.2
347.08813	0.3
348.06259	0.8
363.08508	0.5
375.12369	0.4
376.13077	1.3
380.12262	0.4
388.12601	0.2
389.13916	0.9
396.12506	0.2
398.10172	0.3
403.11499	0.2
404.12497	29.1
405.13022	0.8
406.10477	0.2
410.09933	0.3
412.11993	0.4
413.12903	0.3
417.13309	3.0
419.14844	25.0
420.15524	0.4
423.10956	0.3
426.09763	0.7
428.12369	0.9
433.33298	0.3
439.10315	0.4
440.11581	0.6
441.11993	2.4
443.14963	1.1
451.34085	0.7
452.34695	0.5
454.13074	0.3
454.16843	0.4
456.14450	1.0
464.14481	0.3
466.13675	1.3
467.17670	0.4
469.16916	0.6
478.16553	0.4
479.17331	1.3
480.14392	0.3
481.16367	1.6
482.13486	0.3
485.11255	1.0
492.17975	0.3
493.18625	0.7
494.20203	0.8
495.16669	2.6
496.17685	0.4
497.18204	2.6
500.13324	1.6
508.17459	0.3
510.19049	11.6
511.19412	0.6
512.21002	2.5
523.16412	0.6
525.17535	0.3
526.18451	0.3
538.18341	1.4
540.16418	0.4
541.17340	7.4
542.17975	0.6
554.18127	3.1
554.26019	0.4
556.19586	37.1
557.19788	1.3
581.20074	0.8
672.24420	0.6
700.24738	0.3
718.24805	100.0
719.25269	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	717.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61493	0.1
53.03940	1.3
54.54731	0.1
55.01871	0.3
55.05497	0.4
57.03424	0.4
61.02905	0.5
63.04340	0.2
67.05483	0.6
68.99767	0.2
69.03428	3.8
69.07054	0.4
69.37464	0.4
69.37868	1.3
70.06579	0.2
71.04986	1.1
73.02895	0.7
79.05479	0.3
81.03410	3.8
81.07039	0.5
83.04966	0.5
83.08627	0.2
84.08128	0.1
85.02902	7.9
87.04452	0.3
87.48109	0.1
89.06026	0.2
91.05471	0.4
93.07036	0.4
95.04937	0.3
95.08595	0.6
97.02890	5.4
97.06519	0.2
99.04449	6.1
101.02375	0.2
103.03931	5.2
105.07028	0.3
107.04954	0.2
107.08575	0.4
109.02871	4.2
109.06499	0.2
109.10090	0.4
119.04961	0.2
119.08578	0.3
121.10140	0.4
123.04373	0.2
125.05946	0.2
127.03910	10.6
133.10124	0.3
134.03645	0.4
135.07919	0.2
135.11691	0.3
137.05971	0.2
137.09654	0.2
145.04948	3.5
147.04402	0.3
147.11638	0.2
149.05975	0.2
151.03856	0.4
159.11713	0.2
161.05978	0.3
163.06012	1.0
163.07239	0.2
167.07021	0.4
177.05418	0.3
183.04837	0.2
187.04391	0.2
187.05983	0.9
195.07970	0.2
198.06708	0.3
201.05412	0.2
205.07214	0.2
211.07495	0.2
213.05373	0.4
215.10823	0.2
223.07623	0.2
226.06073	0.2
227.07054	0.6
241.08470	0.2
247.06041	0.4
262.08273	0.2
271.08160	0.5
289.08636	0.5
293.07971	0.3
295.06183	0.3
296.63077	0.2
303.10117	0.6
304.10922	0.3
307.09659	0.5
308.06860	0.3
310.04504	0.3
312.06339	0.2
313.07004	0.4
317.08124	0.4
321.07462	0.7
321.11142	0.4
323.08920	0.9
324.06244	3.7
325.06992	1.7
326.07959	0.4
327.08707	0.4
331.09656	0.3
332.10324	0.4
333.11359	0.3
335.05511	0.2
335.09033	1.3
336.06241	1.0
336.09946	0.3
337.06961	0.7
338.07483	0.3
339.08594	6.8
340.09070	0.2
343.09518	0.4
345.07581	0.2
346.08252	0.3
349.07184	0.4
349.10770	0.6
350.07736	0.8
350.11514	0.4
351.08606	1.7
351.12274	0.3
353.10196	0.3
359.09137	0.6
360.09854	2.8
361.10596	0.5
363.08554	3.7
364.09418	0.7
365.09976	0.9
369.09634	0.4
375.12253	5.0
377.10413	0.9
378.10950	8.7
379.11694	1.1
393.13284	30.0
394.13684	1.1
395.11148	0.3
396.11795	0.5
403.15613	0.3
409.13028	0.3
411.14343	100.0
412.14725	3.4
433.16608	0.4
451.17502	0.5
451.33640	0.4
469.18451	0.9
660.61237	0.2
681.22406	0.3
710.65234	0.2
717.22412	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	717.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71235	0.2
53.03871	1.4
55.01822	0.5
55.05438	0.6
57.03354	0.8
61.02848	0.6
61.03133	0.2
67.05420	0.7
69.03343	5.3
69.03748	0.6
69.06979	0.8
70.06535	0.3
70.21885	0.4
70.22301	0.8
71.04904	1.3
72.08073	0.2
73.02821	1.0
74.05981	0.7
74.06355	0.2
75.11745	0.2
79.05429	0.4
81.03324	6.4
81.03838	0.5
81.06957	1.4
81.89062	0.2
83.04960	1.0
85.02898	11.4
85.03355	0.8
85.06516	0.2
85.07606	0.2
86.06023	0.2
87.00749	0.2
87.04382	0.4
91.03883	0.4
91.05390	0.7
93.06944	0.7
95.04915	0.4
95.08508	0.9
97.02887	7.1
97.03473	0.4
97.06435	0.3
98.05994	0.3
99.04447	8.3
99.05052	0.4
100.49976	0.2
101.02346	0.2
102.83948	0.2
103.03936	6.8
103.04553	0.3
105.06937	0.7
107.04873	0.2
107.08491	0.7
109.02873	6.2
109.06450	0.4
109.10064	0.7
111.04372	0.3
115.03821	0.3
116.07018	0.4
119.04865	0.3
119.08486	0.5
121.06469	0.3
121.10078	0.6
123.11601	0.5
126.05425	0.3
127.03907	15.8
129.06844	0.3
133.02739	0.4
133.10022	0.6
135.04338	0.4
137.05983	1.0
137.06792	0.2
139.07451	0.3
143.08434	0.3
144.06485	0.6
145.04955	5.6
145.06131	0.4
145.10036	0.6
147.04358	0.5
147.11583	0.4
149.09540	0.2
150.03052	0.5
151.03777	0.8
152.06920	0.2
153.05370	0.4
157.10042	0.4
159.04306	0.4
163.03889	0.3
163.05998	1.0
165.05428	1.2
167.07007	0.5
169.04817	0.3
171.07964	0.3
172.70247	0.2
173.13199	0.3
175.07568	0.3
177.05336	0.3
185.37808	0.2
187.05991	1.7
187.11093	0.2
189.05481	0.3
201.05353	0.3
201.09010	0.7
203.07056	1.1
213.09082	0.5
223.07436	0.3
224.08350	0.2
227.06937	1.7
229.04901	0.7
244.07152	0.3
245.08064	0.3
269.08081	0.2
270.09711	0.2
271.08041	0.7
271.13403	0.2
279.10141	0.2
285.07458	0.4
289.08850	0.5
297.07477	0.3
307.09680	0.7
308.06668	0.3
309.07440	0.4
310.04572	0.4
310.57477	0.2
313.07028	0.9
317.08124	0.5
318.08716	0.3
319.09561	0.5
321.07608	0.4
321.11154	0.6
322.04605	0.3
323.09180	0.6
324.06299	1.4
325.07114	1.5
325.10489	0.4
326.07748	0.3
327.08676	1.1
332.10217	0.4
333.11163	0.3
335.05615	0.4
335.09073	3.3
336.06265	0.5
337.06958	0.7
339.08566	3.3
346.08173	0.7
347.08990	0.8
347.12802	0.3
349.07007	0.9
349.10693	0.5
350.07748	0.6
350.11536	0.4
351.08563	1.3
351.12363	0.4
359.09006	0.4
360.09830	1.9
361.10602	0.8
363.08545	5.9
364.09167	0.8
365.10074	1.0
365.13971	0.4
375.12128	2.6
377.10110	1.3
378.10983	8.4
379.11749	1.1
380.12167	0.3
381.12921	0.5
393.13281	69.4
394.13638	2.4
397.12720	0.3
411.14343	100.0
412.14703	4.9
433.16544	0.6
433.33133	0.6
435.14426	0.5
451.16931	0.4
451.33801	0.6
469.18222	0.4
519.23065	0.3
527.15698	0.6
573.19287	0.7
681.21552	0.4
699.23492	0.4
717.12018	0.3
717.23352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01838	0.3
55.05479	0.3
57.03431	0.7
58.93035	0.1
61.02872	0.4
67.05497	0.8
69.03421	3.6
69.03765	0.1
69.07031	0.3
70.06557	0.1
71.04979	0.8
71.63618	0.3
71.64005	0.1
73.02915	0.7
79.05425	0.4
81.03410	4.0
81.03848	0.2
81.07037	0.9
82.15713	0.1
83.01307	0.1
83.04910	0.6
85.02895	6.9
85.06515	0.2
86.09674	0.2
87.04418	0.2
89.05962	0.2
91.03908	0.2
91.05410	0.6
93.07018	0.7
95.04894	0.6
95.08607	0.8
97.02879	5.4
97.06493	0.3
99.04443	5.8
101.02312	0.2
103.03933	5.5
105.07023	0.7
107.04874	0.3
107.08553	0.7
109.02869	4.6
109.06475	0.2
109.10083	0.5
111.08027	0.2
115.03865	0.3
117.06977	0.2
119.04879	0.2
119.08513	0.4
121.02782	0.3
121.06461	0.4
121.10071	0.5
123.04358	0.6
123.08024	0.2
123.11648	0.2
125.09486	0.2
127.03902	10.7
129.06921	0.2
131.08459	0.2
133.10036	0.4
134.03561	0.2
135.04366	0.2
135.11598	0.3
137.02275	0.2
137.05922	0.4
137.13141	0.1
143.08548	0.2
145.04941	3.4
145.09998	0.2
147.04428	0.7
147.11606	0.2
149.05901	0.3
149.09557	0.2
151.03830	0.4
151.07489	0.2
153.05417	0.3
155.08461	0.2
157.10075	0.1
159.07878	0.1
159.11659	0.2
161.05928	0.2
161.13240	0.2
163.06062	1.0
163.07304	0.3
163.11116	0.1
163.14923	0.2
167.06985	0.5
169.09889	0.1
173.05934	0.3
173.09586	0.2
175.03836	0.2
175.07367	0.2
177.05438	0.3
179.03300	0.2
187.05974	0.6
187.07500	0.2
189.01817	0.2
189.08955	0.2
199.05856	0.2
199.07602	0.2
200.10222	0.1
201.05394	0.2
203.06960	0.2
207.06410	0.2
213.05447	0.6
213.09137	0.2
215.10699	0.2
221.15164	0.1
226.06177	0.2
227.06984	0.7
229.05017	0.2
231.06548	0.2
245.07979	0.2
247.05850	0.4
262.08377	0.3
267.06363	0.2
271.07935	0.4
279.06393	0.3
279.09836	0.2
289.08487	0.3
291.06549	0.2
292.07355	0.2
293.08026	0.3
295.05899	0.2
303.10049	0.4
305.11615	0.2
307.05936	0.2
307.09552	0.4
308.06815	0.5
309.04034	0.2
309.07388	0.2
309.11026	0.2
310.04794	0.7
310.07687	0.2
311.05475	0.5
313.06934	0.5
315.10187	0.2
317.08029	0.2
318.08835	0.2
319.05930	0.2
321.07401	0.5
321.11108	0.3
322.08179	0.2
322.11942	0.4
323.05368	0.4
323.09085	0.5
323.12540	0.2
324.06232	3.5
325.07040	3.0
326.07651	0.2
327.08563	0.4
331.09619	0.4
332.10364	0.3
333.11212	0.3
335.05249	0.2
335.09000	1.7
336.06201	1.2
336.09662	0.3
337.06979	0.7
337.10321	0.2
338.07602	0.3
339.08600	7.3
340.08807	0.2
343.09430	0.4
345.07349	0.2
346.08313	0.3
347.09030	0.2
347.13037	0.2
349.06961	0.7
349.10822	0.8
350.07715	0.8
350.11554	0.3
351.08566	2.0
351.12283	0.3
353.10010	0.4
357.09830	0.3
359.08984	0.7
360.09888	2.8
361.10800	0.8
363.08536	3.8
364.09192	1.0
365.10062	1.3
365.14050	0.3
369.09686	0.3
375.12195	5.3
377.10132	1.0
378.10925	9.1
379.11685	1.2
381.09436	0.3
383.11295	0.2
385.14673	0.2
393.13272	33.8
394.13672	1.4
396.11722	0.7
397.12781	0.3
403.15521	1.4
409.12839	0.2
411.14325	100.0
412.14700	4.0
412.19104	0.1
421.16336	0.3
433.16284	0.5
433.33789	0.2
445.16214	0.2
450.32922	0.3
451.17395	0.3
451.34052	0.3
469.18411	0.6
469.34668	0.2
543.18683	0.2
565.21082	0.2
681.26147	0.8
699.26923	0.4
717.23358	0.4
717.34943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03930	0.8
61.24835	0.6
67.05500	1.4
69.07043	0.8
71.63628	1.0
79.05490	4.6
87.04459	6.6
89.06026	44.5
91.05475	7.8
93.07029	2.0
95.04961	2.7
103.05469	6.3
105.07022	100.0
106.07351	1.0
107.04933	1.3
107.07057	2.5
117.07011	2.3
119.04937	1.3
119.08566	4.0
121.06497	17.6
129.06999	3.0
130.08626	3.5
131.07022	2.9
131.08553	7.2
132.05655	0.9
133.08595	35.0
145.06424	0.8
147.08031	32.8
149.09596	6.6
161.31113	0.6
165.09105	1.6
169.34813	0.8
175.09615	1.3
177.11211	12.4
181.10144	0.9
208.08899	0.8
221.13867	2.5
223.11177	2.2
225.12726	17.4
249.12700	2.1
251.14307	2.6
269.15369	3.6
283.17548	1.1
311.16165	0.7
313.17960	2.4
329.19107	0.7
339.39322	0.8
339.43637	0.7
351.12402	1.9
373.21515	7.0
491.28784	2.0
589.75323	0.9
595.34662	4.1
605.31830	0.8
699.41058	2.1
716.43463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01863	0.5
55.05502	0.4
57.03438	0.6
59.04967	0.1
61.02910	0.4
62.39725	0.1
67.05493	0.2
69.03423	4.2
70.06572	0.2
70.88228	0.3
71.04991	1.3
72.08138	0.1
73.02916	2.7
79.05490	0.2
81.03410	6.4
81.07067	0.2
83.04969	0.9
85.02898	10.9
86.06075	0.2
87.04475	0.6
91.03931	0.2
91.05485	0.2
93.07053	0.2
95.04968	0.7
97.02885	6.5
97.06490	0.2
99.04445	11.4
103.03931	5.8
103.04632	0.2
103.60293	0.2
105.07029	0.2
107.04986	0.1
109.02869	13.6
110.02412	0.2
110.05979	0.2
111.04457	0.4
115.03917	0.7
115.05458	0.3
117.34016	0.1
119.04948	0.2
121.02888	0.2
123.04449	0.4
124.11228	0.1
125.02345	0.3
126.03149	0.1
127.03905	100.0
128.04237	0.8
131.04953	0.1
133.02869	0.2
133.10112	0.2
135.04364	0.2
137.05951	0.3
138.05490	1.1
139.03923	0.3
139.05829	0.3
141.05457	0.3
145.04944	10.4
147.04404	0.6
149.05885	0.1
151.03857	0.3
153.01779	0.3
153.05544	0.1
156.06534	0.4
157.04985	0.4
159.04358	0.1
161.05974	0.4
163.03978	0.2
163.05989	1.3
165.05513	0.4
165.09140	0.2
167.03311	0.2
167.06999	0.2
169.04968	1.3
171.04413	0.2
173.13257	0.2
175.03909	0.3
175.07448	0.2
177.05473	0.6
179.06975	0.2
181.04962	0.2
184.06047	1.6
185.06267	0.2
187.06010	3.6
187.07689	0.2
189.05493	0.4
191.07047	0.3
191.14359	0.2
193.04948	0.4
193.08633	0.2
199.03986	0.2
199.05930	0.4
203.06992	0.7
205.04965	0.5
205.07083	1.4
207.06601	0.6
209.08113	0.5
211.06085	0.6
217.05029	0.2
217.07025	0.2
226.06976	0.2
227.09181	0.2
229.07054	1.0
231.06509	1.3
235.05980	0.8
240.03293	0.3
245.10127	0.2
247.05923	0.2
247.08058	0.6
249.07553	1.0
253.07057	2.6
271.08109	6.7
273.07483	0.2
289.09149	2.7
307.10153	0.4
310.09143	0.3
311.09396	0.2
313.09247	0.4
328.10294	0.3
331.10303	0.3
349.11212	0.2
355.10355	0.3
373.11157	0.3
379.10202	0.5
397.11307	1.2
415.12323	2.8
428.92719	0.1
433.13486	1.0
541.15594	0.3
555.26440	0.2
605.18622	0.1
625.40295	0.1
717.29547	0.5
717.46753	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	716.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03930	0.8
61.24835	0.6
67.05500	1.4
69.07043	0.8
71.63628	1.0
79.05490	4.6
87.04459	6.6
89.06026	44.5
91.05475	7.8
93.07029	2.0
95.04961	2.7
103.05469	6.3
105.07022	100.0
106.07351	1.0
107.04933	1.3
107.07057	2.5
117.07011	2.3
119.04937	1.3
119.08566	4.0
121.06497	17.6
129.06999	3.0
130.08626	3.5
131.07022	2.9
131.08553	7.2
132.05655	0.9
133.08595	35.0
145.06424	0.8
147.08031	32.8
149.09596	6.6
161.31113	0.6
165.09105	1.6
169.34813	0.8
175.09615	1.3
177.11211	12.4
181.10144	0.9
208.08899	0.8
221.13867	2.5
223.11177	2.2
225.12726	17.4
249.12700	2.1
251.14307	2.6
269.15369	3.6
283.17548	1.1
311.16165	0.7
313.17960	2.4
329.19107	0.7
339.39322	0.8
339.43637	0.7
351.12402	1.9
373.21515	7.0
491.28784	2.0
589.75323	0.9
595.34662	4.1
605.31830	0.8
699.41058	2.1
716.43463	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	715.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01852	1.0
55.05510	1.1
57.03434	1.9
57.07063	0.3
61.02923	1.1
65.03940	0.4
67.05501	1.5
68.99767	0.6
69.03072	0.4
69.03425	6.5
69.07065	1.6
70.06580	0.5
70.26961	0.9
71.04982	0.9
71.08607	0.2
72.08134	0.3
73.02906	1.0
75.04484	2.9
79.05465	1.0
81.03407	5.6
81.07052	3.0
83.04975	0.7
83.08610	0.5
84.04446	0.2
84.08128	0.3
85.02900	9.5
85.06519	0.5
86.03227	0.2
86.05984	0.2
87.00826	2.5
87.04409	0.3
89.82912	0.3
91.05480	1.3
93.07037	1.8
95.04938	1.2
95.08615	2.5
97.02879	3.9
97.06533	0.6
97.10158	0.4
97.75735	0.2
99.04456	2.1
99.08073	0.3
101.02383	0.4
103.03915	0.3
105.01855	1.5
105.07011	1.0
107.04933	0.6
107.08578	1.6
108.19827	0.2
109.02869	4.5
109.06525	0.7
109.10152	1.5
111.08078	0.6
112.07551	0.2
117.01818	0.3
117.07020	0.3
119.04908	0.5
119.08568	1.0
121.02881	0.3
121.06514	0.6
121.10143	1.1
123.04397	0.6
123.08074	0.6
123.11683	0.9
125.05967	0.6
125.09671	0.6
127.03907	7.2
129.01846	0.6
131.08508	0.5
133.06401	0.2
133.10109	0.9
134.03609	0.4
135.04356	0.4
135.08083	0.5
135.11699	0.6
137.05988	1.2
137.09592	0.6
137.13239	0.3
138.08992	0.2
139.03882	0.2
139.07541	0.5
139.28107	0.2
141.05472	0.3
143.08586	0.4
145.02911	0.3
145.04948	1.9
145.06441	0.3
145.10138	0.5
147.04402	1.7
147.07985	0.5
147.11687	0.4
149.05972	0.6
149.13286	0.3
151.03984	0.4
151.07553	1.1
151.11176	0.7
153.05463	2.8
153.09001	0.3
159.02928	1.6
159.08035	0.3
159.11670	0.5
161.06029	0.4
161.13208	0.3
163.03891	0.2
167.07028	3.5
168.07399	0.8
171.11618	0.4
173.05998	0.3
175.07527	0.9
176.00969	0.3
177.05499	0.8
179.10652	0.5
181.06300	0.2
181.08600	0.3
181.12238	0.9
185.05989	0.5
187.07597	0.3
189.01869	1.1
189.03624	0.2
189.05502	0.4
189.08977	0.2
189.12819	0.3
191.10725	0.5
193.08563	0.3
193.12236	0.6
194.02177	0.5
199.11142	0.3
201.05502	0.6
203.03383	0.3
205.12271	0.4
207.02837	1.3
207.06381	0.2
211.13322	0.3
213.09325	0.3
215.03505	0.3
217.08542	0.4
229.05025	0.7
231.04858	0.5
237.02885	0.3
243.06500	0.9
265.05023	0.7
266.05661	0.4
279.06595	0.4
283.05881	0.2
293.04340	0.7
294.05225	0.5
295.06079	0.8
296.06573	0.3
305.04245	0.4
305.11414	0.4
307.06311	0.4
307.09631	1.0
309.07556	0.4
310.04694	1.9
311.05185	0.3
313.06989	0.2
317.07968	0.6
318.08603	0.3
319.06064	0.3
321.07669	0.3
322.04706	4.1
323.05392	2.0
324.06363	0.2
325.07037	5.1
327.08603	0.4
333.07614	0.3
333.11237	1.7
335.05417	1.4
335.09164	2.7
335.12653	0.4
336.09564	0.3
337.07056	5.7
337.10989	0.5
339.08597	0.5
346.08334	2.4
347.08774	0.4
349.10739	0.7
350.07727	0.2
351.08603	0.5
359.09113	0.2
361.10657	3.8
363.08508	3.9
363.12457	0.6
364.09329	1.1
365.10065	0.5
367.11813	1.1
377.10110	0.4
378.10980	2.7
379.07336	0.4
379.11703	4.9
381.13394	0.4
391.11795	0.6
393.13287	100.0
394.13708	3.5
395.11301	0.4
397.12848	0.9
403.15781	0.3
405.17139	0.5
409.12720	0.9
411.14444	1.2
413.30377	0.4
417.13397	0.3
421.16437	0.3
431.31580	1.7
435.14215	0.4
437.15839	0.3
445.16571	0.6
447.18469	0.3
449.15875	0.9
449.32480	5.7
466.36157	0.3
467.16998	1.0
467.33734	1.8
499.21335	0.3
517.22083	2.8
535.23419	1.6
541.16962	0.5
553.24951	1.1
585.12769	1.3
625.22437	0.3
641.18323	0.4
650.45148	0.2
679.27972	1.7
697.27411	1.0
715.25616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
53.03939	1.6
55.01852	0.8
55.05499	0.8
57.03420	0.8
59.04988	0.2
61.02911	0.7
61.31562	0.2
61.73709	0.2
65.03927	1.8
67.05488	0.5
69.03423	5.0
69.07064	0.2
69.92667	1.0
70.06577	0.4
71.01354	0.3
71.04981	1.6
72.08157	0.8
73.02912	2.9
79.05488	0.4
81.03413	7.3
81.07035	0.3
83.04543	0.2
83.04961	1.0
84.08135	0.7
85.02895	13.1
85.06537	0.3
86.09687	0.2
87.00816	0.2
87.04447	0.7
89.10809	0.2
91.05460	0.6
93.07054	0.4
95.04957	0.8
95.08625	0.3
97.02881	8.4
97.06497	0.2
98.06071	0.2
98.09625	0.2
99.04444	12.5
101.02368	0.3
101.06016	0.4
103.03933	5.8
105.07021	0.7
107.04960	0.6
107.08575	0.2
109.02866	14.8
109.06524	0.2
109.10167	0.2
111.04426	1.7
113.06004	0.2
115.03909	0.7
119.04935	0.8
119.08514	0.3
121.02854	38.1
121.10134	0.4
122.03214	0.5
123.04428	0.6
123.08027	0.2
125.02347	0.5
127.03902	100.0
128.04256	0.9
128.10716	0.3
131.08548	0.2
133.10104	0.5
135.04407	0.5
135.07970	0.2
137.05951	0.6
139.03903	0.7
140.07091	0.3
141.05484	0.3
145.04942	10.0
147.04373	1.4
148.04733	0.2
149.05919	0.3
151.03897	0.7
151.07495	0.2
152.07018	0.3
153.01836	0.3
157.04924	0.4
161.05936	0.5
163.03897	0.8
163.06017	1.4
163.07458	0.3
165.05418	0.3
167.03456	0.2
167.07018	1.3
168.07501	0.3
169.04951	1.0
173.04396	0.2
173.13237	0.2
175.03893	0.4
177.05547	0.4
179.03439	0.3
181.04910	0.6
187.04126	0.2
187.05995	3.2
189.01813	0.4
189.05397	0.3
191.03433	0.9
191.07069	0.3
191.14285	0.4
192.14468	0.2
193.04964	0.5
195.02879	0.2
199.06009	0.5
201.05385	0.2
205.04909	0.5
205.07056	1.3
207.02872	0.5
207.06490	0.7
209.04372	0.4
209.08092	0.7
210.26639	0.2
211.06029	0.6
217.05013	0.5
219.02927	0.6
223.05864	0.2
227.55884	0.2
229.07072	0.7
231.02887	0.3
235.05920	1.0
235.14197	0.2
245.10358	0.2
251.07301	0.2
253.07069	2.6
265.07016	0.3
267.06476	0.9
268.07175	0.2
271.08148	5.9
279.06564	0.4
281.08078	0.8
283.05927	0.5
283.08322	3.1
284.06763	0.4
289.09195	2.2
290.15897	0.3
291.06448	0.2
291.16306	0.4
294.05118	2.0
295.05981	5.4
295.09259	0.3
296.06616	0.4
297.07468	0.3
307.05975	4.5
308.06766	1.5
309.07571	3.6
313.06848	1.9
319.06131	0.6
320.06711	0.2
321.07510	1.1
322.08371	0.3
323.08951	0.4
325.06979	2.9
326.06854	0.2
333.07574	0.4
335.05554	0.2
335.09216	0.3
336.06329	0.3
337.07022	12.9
338.07407	0.4
339.08627	0.3
347.09067	0.7
349.06979	1.2
349.10825	0.3
351.08527	0.9
355.08054	2.6
361.06900	0.8
363.08508	0.3
365.10422	0.4
367.08087	0.7
375.08688	0.5
379.07932	2.3
391.07941	1.4
397.11536	1.1
403.08142	0.9
409.09219	0.7
415.12552	2.1
417.09402	0.2
421.09067	1.7
427.10303	0.5
429.11679	0.5
433.13156	0.6
439.10287	2.0
457.11258	11.8
458.11475	0.6
475.12054	3.0
476.12485	0.2
481.11398	0.5
499.12106	0.5
505.11288	0.3
511.12378	0.3
523.12598	0.2
535.12207	0.2
541.13416	0.9
548.18872	0.2
553.13409	0.8
559.13959	0.9
577.13940	2.3
595.05322	0.3
595.14459	5.0
596.14380	0.3
603.25336	0.3
697.17175	0.6
714.35449	0.2
715.16754	1.0
715.31940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97109	0.5
53.03942	1.2
54.57718	0.5
55.05506	6.2
56.05043	4.3
56.30199	0.5
57.07064	3.3
58.06580	0.5
60.04495	1.9
61.02911	0.6
67.05170	0.9
67.05499	12.4
68.05003	1.5
68.95957	0.7
69.03409	1.2
69.07063	7.5
70.06580	2.1
71.08620	1.5
71.16222	1.6
76.02522	0.5
79.05495	10.8
80.05001	2.5
81.05783	1.2
81.07054	11.6
82.06575	6.2
83.08611	5.3
84.08149	0.7
85.02888	2.0
85.10176	0.7
91.04953	0.8
91.05476	8.7
93.05782	0.6
93.07034	8.9
94.06560	19.9
95.04955	1.3
95.06830	0.6
95.07350	7.5
95.08607	7.6
96.08117	6.2
97.02917	0.7
97.06467	0.6
97.10150	1.9
98.06071	0.6
100.07580	0.6
100.71690	0.5
102.92909	0.6
104.64595	0.5
105.07022	5.4
107.08571	5.5
108.08111	3.4
109.10150	3.4
111.11711	0.9
119.08576	6.2
120.08213	0.5
121.10146	5.9
122.09661	3.2
123.11706	1.0
133.10143	3.1
135.11681	3.6
136.11246	0.8
137.13277	0.7
147.11673	1.2
149.13211	1.0
151.14786	0.7
161.13324	0.8
182.22211	0.6
193.19502	0.7
208.68437	0.5
233.22636	2.7
234.22150	0.8
245.22658	4.0
250.25294	7.2
254.24649	0.6
262.25281	100.0
263.25696	0.9
272.25864	4.1
280.26331	6.5
283.67892	0.5
504.47659	5.8
516.47736	28.7
518.49426	4.6
534.48779	17.9
631.85938	0.6
696.54285	4.4
737.03259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57848	0.2
53.03940	1.8
55.01864	0.6
55.05502	1.5
55.62944	0.2
56.35731	0.1
56.40866	0.1
57.03434	1.0
59.04979	0.2
61.02913	0.6
63.14686	0.1
65.17357	0.1
68.99763	0.2
69.03422	4.8
70.06607	0.2
70.17262	0.9
71.01359	0.3
71.04984	2.9
73.02916	2.5
73.06554	0.1
79.05466	0.2
81.03412	8.0
81.07048	0.3
83.01326	0.2
83.04973	3.5
84.08148	0.2
85.02899	14.4
87.04454	0.7
91.03893	0.2
91.05469	0.2
95.04945	0.4
97.02882	7.8
99.04448	13.7
101.06012	2.7
103.03931	7.3
103.04633	0.2
105.07041	0.2
107.04958	0.4
109.02871	16.7
110.03181	0.2
111.04458	0.5
115.03940	0.6
117.05493	0.2
119.04955	0.2
119.07037	0.7
121.02868	0.2
123.04413	0.5
124.11273	0.2
125.02328	0.4
127.03905	100.0
128.04248	1.2
129.05482	0.6
133.06461	0.2
135.04370	0.2
137.05983	0.2
137.08078	0.7
139.03841	0.2
143.07045	0.2
145.04948	10.7
147.04405	0.4
149.05978	0.2
150.84097	0.2
151.03922	0.5
153.05362	0.2
157.05017	0.2
161.06017	0.3
161.08066	0.3
163.06036	2.3
163.07408	0.4
165.05516	0.4
169.04942	1.5
175.03758	0.3
179.06982	0.2
181.04956	0.2
187.06021	4.7
189.05470	0.3
191.07037	0.3
193.05074	0.3
199.06023	0.4
205.05220	0.2
205.07043	2.0
207.06525	0.5
209.08070	1.0
211.05940	0.8
217.05045	0.2
217.06998	0.2
227.09039	1.2
229.07027	1.1
235.06000	1.1
245.10211	0.7
247.08176	0.3
253.07048	3.6
253.09525	0.3
271.08102	7.5
272.08435	0.2
281.12247	0.2
289.09164	4.6
305.12308	0.6
307.10025	0.9
313.09161	0.5
331.10178	0.5
335.11340	0.2
349.11218	0.8
371.13232	0.3
373.11066	0.3
379.10284	0.6
389.14395	0.6
397.11359	1.9
407.15536	0.3
415.12302	4.1
433.13419	3.3
451.14191	0.8
498.69952	0.2
515.17700	0.2
533.18005	0.4
541.15125	0.5
551.19769	0.3
577.17554	0.5
602.00684	0.2
706.80066	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	713.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14046	0.2
51.25014	0.2
53.03896	1.4
55.01822	1.0
55.05466	0.4
57.03383	1.7
61.02872	1.6
61.03210	0.3
67.05492	1.2
68.99781	1.0
69.03423	10.7
69.03771	0.4
69.07008	0.3
70.33188	0.8
71.01314	0.3
71.04989	1.0
71.05283	0.2
72.08091	0.3
73.02913	2.0
73.07584	0.2
77.96510	0.2
79.05457	0.4
81.03408	8.1
81.06989	0.8
83.08578	0.2
84.19596	0.2
85.02898	12.2
85.03406	0.4
87.00820	4.2
87.04425	0.4
89.03837	0.2
91.03893	0.6
91.05470	0.4
93.04754	0.2
93.06995	0.4
95.04843	0.2
95.08591	0.9
97.02886	5.0
99.04439	2.3
101.02319	0.6
103.03899	0.9
105.01852	1.9
105.06985	0.4
107.04887	0.5
107.08520	0.4
109.02872	6.3
115.03827	0.3
117.01772	0.6
117.03294	0.2
117.07020	0.9
119.08536	0.3
123.04426	1.0
127.03906	8.8
128.06198	0.2
129.01822	1.0
129.06967	0.5
133.10081	0.2
134.03587	0.4
135.04408	0.4
135.07980	0.3
135.11488	0.2
137.02257	0.8
145.04956	1.7
145.06023	0.3
147.02867	0.3
147.04337	0.7
151.03850	0.4
151.07458	0.5
153.01804	0.4
153.05452	0.2
157.06419	0.8
159.02821	1.7
159.04260	0.4
159.07951	0.3
161.02338	0.3
163.07487	0.3
167.06985	0.6
169.06389	0.3
171.02893	0.2
171.04344	0.4
175.03926	0.3
181.06393	0.5
184.07292	0.2
185.05910	0.6
187.05975	0.6
188.35445	0.2
189.01790	0.2
189.04138	0.2
189.05455	2.1
191.03134	0.2
195.02850	0.6
199.07478	0.3
201.05446	0.2
202.07776	0.9
203.06970	0.6
211.07483	0.2
213.03856	0.2
213.05487	2.0
217.10095	2.0
219.07961	0.6
220.08749	0.4
225.05331	0.3
227.08524	0.2
229.10075	0.2
230.07352	0.3
231.04605	0.4
231.06657	1.2
235.11180	0.6
237.09048	0.3
245.09607	4.6
247.07487	0.8
248.08368	0.9
249.09195	0.3
255.78970	0.2
261.09134	0.4
263.07080	0.2
263.10559	1.3
265.08508	0.3
267.06378	0.3
269.04306	0.2
273.09106	2.2
274.09631	0.3
275.06949	1.9
276.07803	1.0
277.08475	0.2
285.03983	0.2
289.08588	0.5
290.09424	0.5
291.10126	2.7
293.04800	0.2
293.08011	0.5
295.05988	0.4
299.05484	0.7
301.08569	1.6
302.09341	0.3
303.06305	0.3
304.07263	0.4
305.08063	0.6
308.06659	0.9
309.07452	0.5
309.10971	0.4
310.04575	0.5
311.05475	11.2
312.05847	0.4
314.98767	0.2
317.08026	0.5
318.08899	0.6
319.09616	11.2
320.10040	0.6
321.07510	0.8
322.08194	0.4
323.05417	2.1
323.09100	2.3
324.06131	0.3
325.07114	0.5
329.08072	1.7
330.08774	0.5
333.07635	0.4
335.09088	0.3
336.06107	0.4
337.07010	1.1
337.10629	0.4
345.07565	0.4
346.08353	0.9
347.09103	49.1
348.05890	0.3
348.09476	1.8
349.07101	1.1
350.07730	2.0
351.08496	0.2
353.10150	7.6
354.10489	0.3
361.10947	0.5
363.08694	0.4
364.09369	1.9
365.10156	100.0
366.10571	3.4
371.09128	0.3
379.11835	0.7
389.10065	0.9
389.14209	1.1
389.17752	0.5
395.11194	0.5
397.12711	0.2
407.11185	3.6
408.11801	0.2
419.10803	0.3
429.34091	0.2
447.18185	0.3
451.17709	0.2
465.19052	75.4
466.19373	3.3
491.13016	0.2
507.20270	0.6
509.14520	0.6
515.15076	0.4
527.15497	1.8
551.23370	0.9
569.16455	4.2
595.15076	1.2
601.15485	3.0
613.15460	27.8
614.15643	1.1
627.24323	7.4
628.24249	0.3
669.25287	2.1
695.23370	1.7
703.48254	0.2
713.24341	18.6
714.24524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01823	0.1
55.05500	0.3
67.05506	0.5
68.05015	0.3
69.03419	0.8
69.07077	0.3
69.55219	1.0
69.55627	0.2
70.06587	100.0
71.04980	0.3
71.06918	0.7
75.42801	0.1
79.05499	0.3
81.03410	1.4
81.07052	0.7
83.05007	0.2
83.08607	0.2
84.04509	0.2
85.02901	1.1
85.06547	0.2
87.00838	0.2
90.05511	0.1
91.05478	0.6
93.07018	0.7
95.04956	0.3
95.08603	0.7
96.08972	0.2
97.02885	1.2
99.04455	0.4
105.01868	0.2
105.07030	0.3
107.08589	0.5
109.02878	3.8
109.10150	0.4
112.07598	88.8
113.07941	0.9
114.05537	0.2
116.07076	2.3
119.04967	0.2
119.08581	0.2
121.06499	0.1
121.10158	0.4
123.04404	0.2
123.08028	0.2
125.05917	0.2
127.03912	1.1
131.08606	0.2
133.06590	0.1
133.10199	0.2
135.07970	0.2
135.11646	0.2
137.05962	0.3
138.44650	0.2
139.07596	0.2
140.07054	55.6
141.07364	0.4
145.04974	0.2
147.04417	0.5
149.05933	0.3
151.07512	0.7
158.08119	8.4
166.06274	0.6
167.07039	4.4
168.07437	0.7
175.07536	0.3
177.05383	0.2
212.09152	0.5
224.09035	0.2
227.06842	0.2
230.10178	0.9
266.10229	3.4
284.11261	9.7
285.11676	0.2
302.12317	1.3
303.10010	0.2
324.06158	0.9
325.06848	0.2
335.09186	0.4
336.06134	0.3
337.06848	0.3
339.08646	1.8
349.06952	0.2
350.07675	0.3
351.08499	0.3
359.08838	0.2
360.09818	0.6
363.08691	0.8
364.09006	0.2
365.10129	0.5
369.09088	0.2
375.12189	0.9
378.11023	1.7
379.11554	0.2
381.13293	0.2
382.13318	0.2
393.13300	7.0
394.13516	0.3
411.14362	17.9
412.14572	0.5
445.33545	0.2
446.33582	0.3
464.34814	0.6
465.19101	0.2
550.33820	0.3
656.06860	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	711.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03423	0.4
59.30833	0.4
61.02914	0.5
65.03931	2.7
67.05478	0.4
69.03416	1.4
70.06611	0.5
70.09971	1.6
71.04981	0.6
72.05720	0.4
73.02903	0.7
79.05469	0.5
81.03410	1.9
81.07032	0.7
82.28342	0.4
83.04945	0.5
85.02902	2.4
91.05471	18.4
93.07060	0.6
95.04944	0.9
95.08596	0.7
97.02905	2.6
97.69309	0.4
98.06093	0.5
98.20784	0.5
99.04462	0.7
103.03959	0.4
103.05440	1.3
105.03398	0.5
105.07001	1.2
107.04929	1.2
107.08592	0.5
109.02864	1.7
111.04437	0.8
115.05402	0.5
115.67410	0.4
119.04934	39.0
119.08565	0.5
120.05200	0.6
120.08083	0.9
121.02859	7.1
123.04433	1.3
123.08083	0.6
124.96036	0.4
127.03905	6.1
128.04185	0.8
129.04416	0.4
131.04927	2.6
133.06447	0.7
133.10104	0.9
135.04337	0.5
137.05978	1.6
138.05450	0.8
145.02869	1.5
145.04970	0.6
145.06453	0.8
145.10094	0.6
147.04395	100.0
148.04713	1.4
149.05959	0.5
149.09570	0.4
151.03934	0.4
153.01791	1.5
153.05461	1.1
159.08058	0.4
161.06003	1.1
163.03928	1.4
163.07559	1.9
167.07010	2.7
175.03931	0.9
175.07556	0.5
175.14851	0.7
177.05415	1.5
181.04974	0.5
187.03873	0.5
189.01927	0.6
189.05495	1.0
191.03387	1.2
191.06905	0.5
193.08656	0.5
195.02930	0.7
197.06035	0.5
201.05475	0.5
203.03423	1.1
205.04889	0.7
207.02905	1.2
207.06537	1.4
208.06845	0.4
215.03423	0.5
217.04948	0.6
219.02855	1.3
229.05051	0.7
231.02899	0.6
233.04358	0.8
241.04973	0.5
243.06203	0.5
248.19344	0.4
255.06436	0.6
256.07056	0.4
267.06473	0.6
268.07355	0.6
269.04532	0.5
270.05328	1.1
271.06021	0.6
279.06409	0.6
281.08023	1.1
283.06021	1.5
284.06778	0.6
285.07532	4.3
293.07907	0.6
294.05222	3.8
295.06000	9.1
295.09311	0.9
296.06784	0.8
297.07611	1.4
301.07074	1.7
304.07269	0.4
307.06018	10.1
307.09433	0.8
308.06689	2.9
309.07443	3.0
309.09991	2.1
313.07040	2.6
317.07886	0.6
319.06046	2.2
319.09305	0.5
320.06668	0.8
321.07642	5.0
322.08340	0.8
323.09079	0.8
325.07019	8.9
333.07568	2.1
335.05460	0.8
335.09137	1.8
337.07010	13.7
337.11099	0.7
339.04980	0.6
339.08582	0.5
339.12369	0.6
345.07590	0.8
347.09219	1.1
349.06937	4.1
349.10754	0.6
350.07895	0.6
351.08597	2.3
355.08112	2.7
359.08878	0.5
361.07040	3.3
363.08670	1.9
367.08197	3.6
373.06805	0.9
375.08517	1.1
379.08105	8.6
384.09625	0.5
385.09122	1.5
391.08093	6.9
397.09116	1.6
399.11298	0.9
403.10370	3.4
405.09668	0.8
407.75031	0.5
409.09229	4.9
412.09128	0.7
415.09995	0.7
421.09140	2.5
425.10181	2.7
427.10269	12.1
433.09091	1.5
437.10303	1.3
439.10349	1.5
441.09482	0.7
445.11398	6.5
451.10190	2.5
453.09512	1.1
455.11276	3.0
457.11288	4.1
463.10257	0.8
465.09616	0.8
469.11227	3.1
475.12274	2.1
479.11374	1.1
481.11142	1.9
483.10425	2.1
491.11032	0.6
493.11090	3.1
499.12411	2.1
501.11749	5.2
507.10925	0.6
509.12119	0.6
511.12375	3.6
527.13196	0.9
529.13367	4.5
530.13995	0.5
537.11652	1.3
545.14697	0.6
547.14447	7.6
555.12970	4.4
565.15356	3.3
573.13965	5.0
591.14862	5.4
603.14655	1.4
621.16028	6.2
657.17102	0.7
675.16840	1.2
693.17542	1.9
711.19006	3.9
711.31165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.05515	0.8
56.05029	0.2
57.03431	0.3
58.06593	0.4
58.16700	0.1
59.04976	0.2
61.02914	0.3
65.03934	1.4
67.05486	0.4
68.99798	0.3
69.03423	2.5
69.07056	0.2
70.06596	0.9
71.02811	0.3
71.03136	0.2
71.04990	0.5
72.08142	1.4
73.02918	0.4
73.10994	0.1
79.05486	0.4
81.03419	0.9
81.07033	0.5
83.04973	0.5
84.08143	3.0
85.02903	2.0
85.06526	0.3
85.08482	0.3
86.03219	0.2
86.06070	0.6
86.09687	0.6
87.04464	0.5
89.06036	0.3
89.27763	0.2
91.05473	11.0
92.05829	0.2
93.03435	0.2
93.07021	0.4
95.04975	0.5
95.08608	0.3
97.02893	2.1
97.06520	0.2
98.03194	0.2
98.06052	0.3
98.09682	0.5
99.04434	0.9
101.06018	1.0
103.03942	0.2
103.05441	0.4
105.07039	0.6
107.04948	0.6
107.08571	0.4
109.02863	1.1
109.06516	0.1
109.10143	0.2
111.04403	0.4
115.03962	0.4
115.05454	0.2
117.03387	0.1
119.04935	27.3
120.05252	0.5
121.01984	0.3
121.02853	4.3
121.06499	0.2
121.10110	0.2
123.04413	0.3
127.03912	4.7
128.04263	0.8
128.08203	0.2
128.10727	1.5
129.04376	0.4
129.05417	0.2
129.10248	0.2
129.11125	0.2
131.04930	0.5
133.06479	0.6
133.08611	0.2
133.10069	0.2
135.08070	0.2
136.07500	0.1
137.05948	0.7
144.10274	0.2
145.02853	0.9
145.04932	0.2
145.06480	0.4
146.09218	0.2
146.11697	0.8
147.04396	100.0
148.04745	1.7
149.05978	0.4
151.03946	0.4
153.81148	0.2
155.08458	0.1
159.04393	0.4
159.11690	0.1
161.05949	0.7
162.31454	0.1
163.03989	0.4
163.07526	0.2
163.11116	0.2
165.01855	0.2
165.05458	0.5
167.03343	0.1
167.07022	3.8
168.07394	0.5
169.06569	0.1
171.04399	0.3
171.08096	0.2
173.06018	0.3
173.13243	0.2
175.03920	0.4
177.05490	0.5
179.03407	0.2
179.06902	0.1
181.04945	0.3
181.08649	0.2
183.02879	0.2
184.05153	0.2
185.05998	0.3
187.03911	0.2
187.07571	0.2
189.01814	0.6
189.05463	0.6
191.03453	0.9
191.06958	0.2
191.14314	0.3
192.03845	0.1
193.08580	0.6
195.02931	0.4
197.06000	0.2
199.04135	0.1
201.05544	0.2
203.03320	0.8
205.04980	0.4
207.02890	1.0
207.06416	0.7
209.15385	0.2
211.07556	0.2
211.09491	0.1
213.05440	0.3
215.03401	0.4
217.04993	0.4
218.01636	0.2
218.11983	0.1
219.02907	0.3
221.04428	0.3
227.03354	0.2
231.06396	0.2
233.04454	0.6
237.10120	0.1
241.07014	0.3
243.02800	0.2
245.04376	0.4
249.03987	0.2
255.06548	0.2
263.07318	0.2
263.78204	0.2
265.09619	0.5
267.06454	0.3
267.11203	0.3
268.07300	0.2
269.04468	0.2
271.05945	1.9
272.14957	0.3
273.03796	0.2
277.16513	0.2
279.06503	0.3
281.08054	0.5
283.05981	2.0
284.06790	0.2
285.07315	0.2
287.05402	0.5
290.13324	0.2
290.16000	2.1
291.09006	0.7
291.13501	0.2
291.16226	0.7
292.07312	0.2
293.08939	0.8
294.05231	1.5
295.06003	5.0
295.09387	0.3
296.06509	0.6
297.07507	0.7
305.07947	0.4
307.05991	5.4
307.09329	0.2
308.06668	1.6
309.09894	7.6
311.05460	0.2
313.06998	2.5
317.08041	0.3
319.05988	1.0
319.09113	0.2
320.06702	0.5
321.07544	3.4
321.71838	0.2
322.08426	0.8
323.05566	0.3
323.09180	0.5
325.07025	5.1
326.07349	0.2
329.08008	0.4
331.05948	0.2
333.07571	1.7
334.08420	0.3
335.05515	0.2
335.09149	1.6
336.06079	0.3
337.07010	6.7
338.07410	0.4
339.09692	1.1
345.07559	1.4
347.09073	0.4
348.06073	0.2
349.06998	3.6
350.07666	0.2
351.08560	2.4
355.08206	0.9
361.07062	2.2
362.07480	0.3
363.08560	1.7
367.08011	2.3
373.07098	1.3
375.08633	0.5
379.08102	6.1
380.08298	0.2
385.09271	1.5
385.14175	0.2
387.08521	0.3
389.13397	2.3
391.08102	7.2
392.08517	0.3
403.08258	0.5
409.09201	2.4
412.09689	0.2
417.09549	0.3
421.09009	0.3
425.10190	1.2
427.10223	1.6
433.09296	0.3
437.10226	0.2
439.10657	0.5
445.09604	0.3
451.11655	0.4
453.09534	0.2
455.10800	0.3
457.11053	0.5
463.10693	0.6
471.10736	2.8
475.11133	0.2
479.11008	0.2
481.11301	0.9
483.10831	1.0
491.10980	0.2
493.11517	0.3
499.12506	0.3
501.11783	3.7
501.24985	0.2
502.11908	0.2
509.11935	0.2
511.12314	1.4
525.11749	5.2
526.12030	0.3
529.13739	0.7
537.11664	0.9
547.13934	0.6
549.31482	0.3
553.39355	0.2
555.12842	8.5
556.12750	0.3
573.13849	6.7
574.14117	0.4
579.14520	0.4
585.13336	0.2
591.14911	4.9
592.14502	0.2
603.14374	0.4
621.06573	0.2
621.15924	3.6
622.15253	0.3
627.15161	0.3
645.15948	8.6
646.15845	0.5
657.15460	0.5
675.05688	0.2
675.16919	4.2
676.16821	0.4
693.18115	2.0
693.29620	0.2
710.33075	0.3
711.34399	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	711.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33872	0.1
53.03939	0.2
55.01869	0.6
55.05506	0.7
56.05037	0.2
56.05849	0.1
57.03424	0.4
58.06580	0.4
59.04997	0.2
61.02902	0.3
65.03931	1.4
67.05502	0.3
68.99800	0.2
69.03417	2.6
69.07061	0.2
70.06577	0.9
71.04981	0.5
72.08147	1.2
73.02937	0.3
79.05480	0.3
81.03410	0.8
81.07050	0.4
83.04971	0.5
84.08138	3.3
85.02893	2.1
85.06538	0.2
85.08473	0.3
86.03221	0.2
86.06060	0.5
86.09693	0.4
87.04461	0.4
89.06021	0.2
91.05469	10.3
92.05791	0.2
93.07042	0.4
95.04942	0.6
95.08604	0.2
96.08125	0.2
97.02871	2.1
98.03208	0.2
98.06030	0.2
98.09676	0.4
99.04421	0.6
101.06010	1.1
102.06374	0.2
103.03922	0.4
103.05467	0.3
105.03377	0.1
105.07013	0.7
107.04953	0.8
107.08569	0.4
109.02882	1.1
109.06518	0.2
110.06019	0.2
110.69106	0.1
111.04439	0.3
112.07613	0.2
114.10202	0.1
115.03928	0.3
115.05425	0.2
117.03410	0.2
117.06991	0.1
117.32989	0.1
119.04929	25.5
119.08509	0.3
120.05268	0.3
120.08057	0.1
121.02859	3.6
121.06465	0.3
121.10112	0.3
123.04426	0.5
125.05942	0.2
127.03902	4.8
128.04207	0.8
128.06209	0.2
128.08189	0.2
128.10696	1.2
129.04370	0.3
129.05432	0.2
129.10162	0.2
129.11050	0.2
131.04916	0.5
131.08514	0.2
133.06454	0.4
133.08569	0.2
133.10136	0.2
135.04449	0.2
135.08162	0.2
137.02226	0.2
137.06007	0.6
137.09549	0.1
145.02818	0.7
145.04907	0.3
145.06496	0.3
146.09250	0.2
146.10657	0.2
146.11696	0.9
147.04391	100.0
148.04735	1.6
149.05977	0.4
151.03874	0.2
152.07040	0.2
157.06477	0.2
159.04291	0.2
161.05954	0.7
162.06451	0.2
163.03891	0.5
163.07513	0.3
163.11214	0.1
165.05453	0.6
165.06703	0.2
167.07019	3.4
168.07401	0.6
171.02898	0.2
173.05930	0.3
175.03897	0.4
175.07516	0.1
177.01855	0.2
177.05435	0.6
179.03410	0.1
181.04947	0.3
181.08585	0.2
183.02873	0.2
185.05887	0.2
187.03787	0.2
187.07422	0.2
189.01819	0.4
189.05492	0.6
191.03354	0.7
191.14336	0.2
193.04865	0.2
193.08562	0.4
195.02895	0.3
199.03891	0.2
201.05479	0.2
203.03368	0.7
205.04955	0.3
207.02887	1.0
207.06409	0.8
209.15384	0.1
211.09705	0.3
215.03354	0.3
217.04985	0.4
219.02847	0.4
221.04440	0.3
227.03435	0.2
231.02966	0.2
231.06491	0.2
233.04376	0.5
237.10208	0.3
241.06934	0.3
243.02788	0.2
243.06595	0.2
245.04417	0.3
265.09601	0.4
267.06439	0.2
267.11075	0.3
271.05945	2.3
272.15009	0.2
273.03717	0.2
279.06265	0.3
280.07828	0.2
281.08035	0.5
283.05966	2.2
284.06744	0.3
285.07538	0.3
287.05569	0.4
289.08533	0.2
290.13205	0.2
290.15973	2.2
291.08621	0.6
291.13614	0.2
291.16299	0.8
292.07159	0.2
293.09207	0.8
294.05194	1.8
295.05994	4.7
295.09436	0.2
295.10684	0.2
296.06610	0.5
297.07510	0.7
301.07352	0.1
305.07990	0.5
306.08835	0.2
307.05960	4.7
307.09268	0.2
308.06702	1.8
309.09860	8.5
313.07004	2.2
317.07895	0.4
319.06061	1.0
320.06711	0.5
321.07556	3.5
322.08304	0.7
323.05383	0.3
323.09076	0.7
325.07013	5.4
326.07416	0.2
329.07986	0.4
331.05881	0.2
333.07547	2.0
334.08203	0.5
335.05508	0.2
335.09055	1.7
336.06210	0.3
337.07022	7.6
338.07248	0.3
339.09619	1.2
345.07559	1.5
347.08893	0.3
349.06995	3.3
350.07797	0.2
351.08585	2.7
355.08078	1.0
361.06985	2.2
363.08524	1.7
367.08121	2.2
369.11713	0.2
373.06976	1.6
375.08597	0.6
379.08075	6.3
380.08426	0.3
385.09064	1.4
385.13739	0.2
387.08441	0.2
389.13480	2.4
391.08087	7.2
392.08386	0.2
393.09622	0.2
397.09161	0.2
403.08023	0.6
409.09106	2.7
415.07983	0.4
417.09613	0.3
421.08957	0.3
425.10025	1.1
427.10245	1.6
433.09125	0.4
437.10486	0.1
439.10593	0.4
445.09573	0.3
451.11417	0.3
453.09360	0.2
455.11197	0.2
457.11594	0.8
457.17050	0.2
459.10858	0.2
463.10666	0.4
467.11404	0.2
471.10736	2.7
475.12186	0.2
479.10886	0.4
481.11316	0.9
483.10837	1.3
491.11243	0.3
493.11404	0.4
497.12000	0.2
499.12192	0.2
500.24722	0.2
501.05246	0.2
501.11850	3.2
501.26141	0.1
507.10352	0.2
509.12445	0.3
511.12500	1.1
525.11743	5.7
526.11450	0.2
529.13287	0.9
537.11932	0.8
547.14020	0.6
549.31500	0.3
555.12799	9.4
556.13385	0.3
573.13776	6.6
574.13635	0.4
579.14709	0.4
591.14868	5.7
592.15063	0.3
603.14355	0.4
621.15967	4.0
622.16406	0.2
627.14362	0.3
645.15979	8.5
646.16016	0.3
657.15759	0.5
675.16949	5.4
676.16833	0.3
693.17627	1.9
710.32904	0.6
711.33966	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	711.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01861	0.4
55.05500	0.5
57.03408	0.3
65.03927	2.2
67.05495	0.7
68.99776	0.3
69.03423	1.4
71.04990	0.4
72.08152	0.3
73.02924	0.4
79.05487	0.4
81.03420	1.0
81.07042	0.6
84.08138	0.5
85.02904	2.1
91.05477	16.8
92.05805	0.4
93.07064	0.4
95.04967	0.7
95.08617	0.4
97.02908	1.4
97.05888	0.2
99.04439	0.4
102.04919	0.3
103.05482	0.6
105.07013	0.9
107.04960	1.3
109.02883	1.4
109.06465	0.3
111.04417	0.5
117.06975	0.4
119.04935	36.6
119.08565	0.6
120.05266	0.6
121.02866	6.2
121.10130	0.4
123.04387	0.8
123.08060	0.4
124.33241	0.3
125.38769	0.3
127.03915	3.0
128.04323	0.3
128.06166	0.3
129.01799	0.3
131.04929	1.2
131.08636	0.3
133.06488	0.4
133.10107	0.4
135.04430	0.3
137.05972	1.2
138.05537	0.4
145.02870	1.1
145.06433	0.7
147.04398	100.0
148.04739	2.1
149.05983	0.4
151.03894	0.4
153.01811	1.1
153.05446	0.5
157.06491	0.4
159.04395	0.5
161.06027	0.5
163.03934	0.6
163.07500	0.5
167.07031	1.3
171.04375	0.5
175.03902	0.7
175.07564	0.4
175.14856	0.5
177.05460	1.2
179.03413	0.4
181.04935	0.4
187.07622	0.4
189.01802	0.5
189.05464	0.6
191.03392	1.1
191.06909	0.4
195.02881	0.7
198.03465	0.3
201.01820	0.3
201.05505	0.4
203.03372	1.0
205.04858	0.4
207.02872	1.2
207.06520	0.8
209.04330	0.3
211.07570	0.4
215.03418	0.4
217.04970	0.6
219.02843	1.1
221.04486	0.6
225.05502	0.4
229.05048	0.4
231.02850	0.3
233.04437	0.4
241.05067	0.3
251.06911	0.4
255.06494	0.9
257.80710	0.3
267.06458	0.6
268.07272	0.4
269.04611	0.4
270.05222	0.4
271.05975	0.5
279.06561	0.9
281.08127	1.2
283.05963	1.4
284.06781	0.6
285.07578	2.0
291.08984	0.4
293.08304	0.4
294.05121	2.5
295.06006	8.0
296.06732	0.5
297.07510	1.9
301.06924	1.5
305.08206	0.5
307.02582	0.6
307.05978	9.9
307.09393	0.4
308.06622	3.0
309.07297	2.1
309.09824	2.4
313.07114	3.1
319.05835	1.4
320.06583	0.6
321.07523	3.9
322.08261	1.0
323.05548	0.6
323.09106	0.7
325.07031	8.4
329.08102	0.4
333.07599	1.7
335.05380	0.6
335.08801	1.5
337.07022	14.5
338.07224	0.6
339.08658	0.4
345.07703	0.9
347.09125	0.8
349.07034	5.3
351.08655	1.9
355.08005	2.3
358.93713	0.3
361.07028	2.7
363.08569	1.9
365.10126	0.6
367.08057	3.2
373.06934	1.2
375.08652	0.8
379.08093	7.9
380.08148	0.5
384.09729	0.3
385.08978	1.8
387.08441	0.5
391.08069	6.1
393.09949	0.4
395.08640	0.4
397.09009	1.9
399.10883	0.8
403.09570	2.9
405.09491	1.1
409.09195	4.7
411.08286	0.4
412.09271	0.8
415.09012	0.3
421.09302	2.1
425.10153	2.4
426.10223	0.3
427.10229	12.7
428.10477	0.8
433.09039	1.8
437.10046	1.1
439.09988	1.0
441.09409	0.5
445.11301	7.7
451.10190	2.6
453.09467	1.0
455.11038	3.0
457.11365	3.8
463.10895	0.8
465.09814	0.9
467.10883	0.5
469.11475	3.8
475.12326	2.1
479.11011	0.9
481.11288	2.2
483.10754	2.2
484.10388	0.4
485.12228	0.4
493.11142	2.8
499.12305	1.8
501.11755	4.0
507.10468	0.7
509.12112	1.2
511.12369	3.1
527.13251	1.2
529.13458	4.4
537.11462	1.1
545.14056	0.5
547.14459	8.6
548.14630	0.6
555.12921	5.0
556.12970	0.6
565.15454	3.8
573.05377	0.5
573.13861	5.7
574.14233	0.4
585.13635	0.6
591.14880	5.2
592.15350	0.4
603.14984	1.9
621.06750	0.5
621.16034	6.4
622.16284	0.6
657.15472	0.6
675.17426	1.5
693.17841	2.4
711.18793	3.5
711.29889	0.5
712.19757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05494	0.5
61.02924	0.2
65.03924	1.9
67.05486	0.3
69.03434	0.9
69.07053	0.3
69.64440	0.5
69.64857	0.8
70.06586	0.3
72.08133	0.2
77.26289	0.2
77.62177	0.1
79.05481	0.2
81.03410	0.5
81.07041	0.3
82.06569	0.2
83.04967	0.2
83.08588	0.6
84.08138	0.3
85.02897	0.9
85.06535	0.2
89.05994	0.2
91.05467	14.5
92.05774	0.4
93.07024	0.2
95.04951	0.5
95.08588	0.2
97.02882	1.1
97.06512	0.2
98.09676	0.5
99.04432	0.3
100.11240	2.5
103.03920	0.3
103.05441	0.2
105.07002	0.3
107.04942	0.8
109.02859	0.8
110.02303	0.2
110.05995	0.2
111.04407	0.6
112.07579	0.3
119.04924	31.9
120.05257	0.5
121.02855	4.8
121.06490	0.3
121.10095	0.2
123.04390	0.4
127.03915	2.2
128.07060	0.5
131.04919	0.4
133.06538	0.3
137.05946	0.2
145.02824	0.6
145.04843	0.2
145.06483	0.5
147.04388	100.0
148.04749	1.5
149.05936	0.2
151.03871	0.2
153.01740	0.2
153.05399	0.3
157.06503	0.3
159.04375	0.4
161.05934	0.2
163.03888	0.4
165.01704	0.2
165.05478	0.3
167.03424	0.2
167.07007	0.6
168.13713	0.3
169.06416	0.2
171.04321	0.3
175.03873	0.6
177.05463	0.5
179.03380	0.2
181.04942	0.4
182.15370	1.0
185.05936	0.4
187.03813	0.4
189.01874	0.4
189.05473	0.5
191.03336	0.9
195.02887	0.5
196.13354	0.2
197.06024	0.2
201.01897	0.2
201.05429	0.8
203.03392	0.7
205.04951	0.3
207.02885	0.8
207.06563	0.4
209.04390	0.4
209.16431	0.5
210.14899	1.3
215.03389	0.5
217.04964	0.4
219.02899	0.8
221.04388	0.4
227.17519	0.3
229.05013	0.2
233.04489	0.4
239.07010	0.2
241.04913	0.3
243.02890	0.2
243.06433	0.4
245.04378	0.3
251.06950	0.2
255.06386	0.3
261.07513	1.3
263.06946	0.2
267.06418	0.4
268.07162	0.6
269.04581	0.3
271.05908	0.5
279.06314	0.4
279.08856	2.3
280.07162	0.4
281.08035	1.0
283.05942	1.5
284.06738	0.7
291.06213	0.4
291.08997	0.3
292.07126	0.2
293.08145	0.6
294.05170	2.3
295.05975	5.8
295.09360	0.4
296.06680	0.5
297.07489	1.0
301.07034	0.5
305.07932	0.4
307.05954	8.1
308.06628	2.6
309.07413	2.6
309.09909	2.1
313.07016	2.8
317.07880	0.2
319.05789	1.4
320.06671	0.5
321.07538	3.6
322.08252	0.6
323.05362	0.5
323.09189	0.6
325.07025	4.8
329.08096	0.3
332.06650	0.2
333.07434	1.5
334.08286	0.3
335.05484	0.4
335.09033	1.5
336.06055	0.5
337.07010	11.8
338.07477	0.4
339.08615	0.5
343.08017	0.2
345.07578	0.7
347.05414	0.3
347.09039	0.9
348.06113	0.2
349.07059	3.4
350.07364	0.3
351.04852	0.2
351.08640	2.0
355.08032	1.7
357.07239	0.3
361.06985	2.5
363.08676	2.0
367.08054	2.0
373.06937	0.8
375.08737	0.8
379.08096	6.2
380.08359	0.2
384.09964	0.2
385.09189	1.0
385.67346	0.2
387.08557	0.4
391.08063	5.4
393.09839	0.4
397.09335	1.0
399.10855	1.0
403.10425	2.7
405.09851	0.5
409.09128	4.4
411.08591	0.2
412.09265	0.5
413.09988	0.2
415.10217	1.0
417.09113	0.3
421.09198	1.7
425.10217	1.8
426.11011	0.3
427.10187	13.6
428.10446	0.4
429.10626	0.2
433.09430	1.4
437.10159	1.0
439.10562	1.0
441.09567	0.5
445.11276	5.8
446.11615	0.3
451.10260	1.6
453.09210	1.0
455.11166	3.3
457.11279	3.8
463.10138	0.6
465.09235	0.9
469.11349	1.9
475.12085	1.9
479.10974	1.0
481.11288	1.4
483.10583	2.2
485.12411	0.3
485.35880	0.2
491.11606	0.2
493.11340	1.8
499.12494	1.2
501.11783	3.6
502.12076	0.3
507.10733	0.5
509.12299	0.8
511.12222	2.7
512.12402	0.4
525.12054	0.4
527.13037	0.5
529.13385	3.6
537.11884	0.9
543.12177	0.2
545.14288	0.3
547.14447	4.8
548.14856	0.2
549.12256	0.3
555.12738	3.9
565.15173	1.2
567.12518	0.5
573.13855	4.4
574.13770	0.2
580.40009	0.3
585.13763	1.2
591.14868	10.1
592.15149	0.5
595.15509	0.2
603.15045	2.1
604.15344	0.3
621.06580	0.3
621.15948	4.7
622.16217	0.3
627.14954	0.3
639.14673	0.4
645.16046	0.4
657.15656	0.5
675.16895	1.8
675.47809	0.5
677.49579	0.3
679.50745	0.5
693.18164	2.5
693.48499	0.4
711.19037	4.0
711.50116	1.2
712.19531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.1
53.03930	0.2
55.01867	0.8
55.05500	1.8
57.03422	0.3
57.07071	0.2
61.02907	0.3
65.03934	1.6
67.05485	0.4
67.67869	0.1
68.05022	0.2
68.99800	0.3
69.03416	1.3
69.07061	0.4
69.51942	0.6
69.52375	0.4
70.06581	1.2
71.04975	0.4
72.04510	0.3
72.08147	0.8
73.02900	0.4
75.21468	0.1
81.03395	0.6
81.07050	0.6
82.06578	0.6
83.04965	0.3
83.08609	1.8
84.04491	0.5
84.08153	0.8
85.02895	1.2
85.06521	0.4
86.06050	0.2
86.09705	0.6
86.51424	0.1
87.04469	0.2
89.06032	0.3
91.05469	14.1
92.05784	0.2
93.03360	0.1
93.07033	0.3
95.04932	0.6
95.08578	0.2
96.08139	0.9
97.02885	1.2
97.06499	0.7
97.08907	0.2
98.06051	0.3
98.09682	2.0
99.04445	0.4
100.03944	0.1
100.07607	1.5
100.11244	8.7
101.02382	0.2
101.11567	0.3
103.03926	0.4
105.06999	0.4
107.04964	0.8
107.08588	0.3
109.02864	0.7
109.06489	0.2
109.10162	0.2
110.06023	0.6
110.09737	0.2
111.04446	1.5
112.07622	0.7
112.08237	0.1
112.11189	0.1
114.09181	0.6
115.03942	0.2
117.07000	0.3
117.13877	0.1
118.04082	0.2
119.04929	30.1
119.08542	0.3
120.05264	0.5
121.02855	5.3
121.06516	0.2
121.10139	0.1
122.09751	0.2
123.04430	0.4
124.07592	0.2
125.02377	0.1
126.09135	0.8
127.03914	2.2
127.08682	0.2
128.07059	1.4
128.10686	0.5
129.05493	0.1
131.04898	0.5
133.06461	0.6
133.08546	0.3
133.10101	0.2
135.04347	0.2
137.05942	0.5
138.05441	0.1
139.08658	0.3
140.07076	0.6
140.10686	0.5
142.08661	0.3
142.12236	0.5
145.02846	0.9
145.05190	0.1
145.06483	0.6
147.04390	100.0
148.04730	1.9
149.05954	0.2
152.07071	0.2
153.01787	0.3
154.08559	0.1
154.12209	0.7
156.10159	0.1
156.13808	0.3
157.06509	0.4
159.04385	0.3
161.02356	0.2
161.05937	0.3
163.03859	0.5
163.11133	0.2
164.06985	0.2
165.05457	0.3
166.12361	0.1
166.15892	0.1
167.03450	0.2
167.07019	1.4
168.10133	0.2
168.13852	1.0
170.11691	0.2
171.04378	0.4
171.08092	0.2
171.14914	0.3
173.05939	0.3
173.13226	0.1
175.03838	0.5
177.05478	0.6
179.03380	0.2
180.13786	0.3
181.04964	0.2
181.08556	0.2
182.11723	0.3
182.15385	3.9
183.15692	0.3
184.13354	0.3
185.05969	0.3
185.16457	0.2
187.03886	0.3
187.07417	0.2
189.00250	0.1
189.01740	0.6
189.05455	0.5
191.03438	1.0
191.14369	0.1
192.13782	0.2
193.04976	0.3
193.08542	0.3
195.02820	0.6
196.13280	0.6
197.06018	0.2
197.16451	0.2
198.14903	0.1
199.03854	0.2
199.07495	0.1
201.05476	0.9
203.03325	0.7
205.04868	0.2
207.02843	0.8
207.06448	0.4
207.22231	0.1
208.13242	0.2
209.04375	0.5
209.07983	0.1
209.16447	2.2
210.14876	6.4
211.07610	0.2
211.15169	0.5
213.05499	0.2
213.15894	0.2
215.03305	0.2
215.08620	0.1
217.04961	0.5
219.02898	0.9
221.04375	0.5
223.14444	0.4
224.12805	0.2
225.05579	0.2
225.15912	0.3
226.19109	0.5
227.17516	1.1
228.15993	0.7
229.04932	0.2
231.02824	0.3
233.04379	0.4
239.06886	0.2
241.04930	0.2
241.19041	0.2
243.02824	0.2
243.06619	0.2
244.20103	0.1
245.04398	0.4
251.07021	0.4
253.04872	0.2
253.15425	0.2
255.20609	0.2
257.04236	0.2
261.03812	0.1
261.04675	0.1
261.07538	1.3
263.07010	0.2
267.06534	0.3
268.07236	0.3
269.04276	0.2
269.07721	0.1
269.18451	0.3
271.05835	0.9
273.07623	0.2
277.08728	0.2
279.08765	2.8
280.06891	0.2
281.08151	0.7
281.18649	0.1
283.05945	1.7
284.06552	0.6
285.07495	0.3
291.06274	0.2
292.07169	0.3
293.04684	0.1
293.07996	0.4
294.05176	2.1
294.08331	0.1
295.05994	5.8
295.09277	0.2
295.20139	0.3
296.06631	0.6
297.04242	0.2
297.07483	0.8
301.07089	0.4
305.07999	0.3
307.05966	7.0
308.06689	2.6
308.10187	0.1
309.07364	2.4
309.09897	1.6
311.12720	0.1
312.26324	0.1
313.03519	0.2
313.07010	3.2
317.08185	0.2
319.06030	1.3
320.06689	0.6
321.03824	0.2
321.07544	3.6
322.08142	0.6
323.05481	0.3
323.09018	0.6
325.07031	5.8
326.07141	0.3
326.24265	0.2
326.27972	0.4
329.08020	0.3
331.05902	0.2
333.07520	1.9
334.08206	0.4
335.05493	0.3
335.09064	1.5
336.06171	0.3
336.22650	0.5
337.07016	10.7
337.21051	0.6
338.07574	0.6
339.04941	0.2
339.08542	0.7
341.06601	0.2
343.30597	0.2
345.07422	1.1
346.08005	0.2
347.05334	0.3
347.09082	0.9
349.07022	3.5
349.11240	0.2
350.07581	0.3
351.08505	2.2
351.24408	0.2
354.23517	0.3
354.27484	0.2
355.08148	1.8
359.09103	0.3
359.23178	0.8
359.73441	0.2
361.02878	0.2
361.07001	2.3
363.08621	1.9
365.06198	0.2
365.10376	0.2
367.08020	2.0
371.09137	0.2
373.07089	1.2
375.08743	0.8
379.08075	6.1
380.08743	0.3
383.08990	0.2
385.09238	0.9
387.08377	0.4
389.10358	0.2
391.08072	6.5
392.08240	0.3
393.09729	0.2
397.09015	0.7
403.08588	1.0
405.09653	0.3
409.09125	3.7
411.08395	0.4
412.09259	0.4
413.09839	0.3
415.10403	0.9
417.09476	0.3
421.09088	1.4
425.10110	1.7
427.10242	5.4
428.10214	0.3
429.11215	0.4
433.11090	1.4
434.11081	0.2
436.31720	0.2
437.10086	0.7
439.10587	1.0
441.09506	0.2
445.11249	2.4
451.11032	0.6
452.35620	0.2
453.09155	0.6
453.34332	0.5
455.11246	2.3
457.11249	3.6
458.11349	0.2
463.10669	0.6
465.09457	0.9
469.10507	0.4
471.10861	1.1
475.12289	1.6
479.11017	0.5
481.11258	1.8
483.10800	1.9
484.11716	0.2
491.11298	0.2
493.11258	1.2
497.11856	0.2
499.12277	0.7
501.11777	3.3
502.11880	0.2
507.10382	0.4
509.12286	0.6
511.12329	2.5
525.11719	2.1
526.11554	0.2
529.13446	2.3
537.11365	0.5
547.14417	2.9
548.14545	0.2
549.11963	0.2
555.04565	0.2
555.12775	4.0
556.12854	0.2
557.13995	0.3
563.37708	0.4
565.15466	0.7
567.12347	0.6
573.05414	0.2
573.13837	3.9
574.13599	0.2
577.15845	0.2
579.15161	0.2
580.40668	0.8
585.13934	1.6
591.14905	9.0
592.14929	0.6
595.14447	0.2
603.14856	1.9
606.42133	0.2
615.14630	0.2
621.15796	2.5
622.16028	0.2
627.14307	0.2
645.15887	3.2
646.16040	0.4
657.15851	0.7
657.46448	0.2
667.50116	0.2
675.16968	3.1
675.47906	1.5
676.16376	0.2
677.49414	0.9
678.49188	0.4
679.50836	1.4
680.51410	0.7
692.49976	0.2
693.17749	1.7
693.49310	1.5
694.48798	0.4
710.50104	0.5
711.18695	1.7
711.37231	0.2
711.50116	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	710.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01861	1.5
55.05249	0.8
55.05507	9.1
57.03431	12.8
57.07049	1.1
59.05011	0.7
61.02642	0.6
61.02922	9.5
65.03926	1.5
67.05499	27.1
67.55859	0.6
69.03429	4.2
69.07066	9.0
71.02479	1.4
71.04987	3.6
72.08159	0.7
73.02900	3.4
79.05486	26.0
81.03406	4.5
81.07052	33.4
82.76952	0.6
83.04970	2.6
83.08614	6.8
84.04476	0.6
85.02411	1.0
85.02901	12.6
85.06544	3.7
87.04413	0.6
91.03949	7.1
91.05470	23.0
93.07036	36.4
95.04960	4.0
95.08599	26.8
97.02878	8.8
97.06519	3.8
97.10146	2.4
99.04434	2.3
99.08068	2.8
103.03940	0.6
103.05441	0.9
105.07022	23.6
106.07314	0.7
107.04955	1.7
107.08587	24.8
109.02868	2.4
109.06504	2.8
109.09435	1.1
109.10140	12.3
111.04427	1.0
111.08067	2.2
111.11660	0.6
113.05970	0.6
113.09608	0.7
115.05385	1.0
117.07003	8.9
119.04923	0.6
119.08570	19.1
120.04494	0.8
121.06486	1.7
121.10134	19.7
123.04419	5.4
123.08041	2.6
123.11674	3.1
125.09632	1.8
127.03913	5.3
128.04228	0.5
129.05449	0.9
129.06970	3.5
131.07018	1.5
131.08548	13.6
133.10124	19.4
135.04361	0.8
135.08064	1.7
135.11676	16.1
137.02333	1.0
137.05945	1.7
137.09586	2.4
139.03972	0.7
139.07585	1.1
139.11186	1.0
143.08501	4.7
145.04958	3.5
145.06337	0.7
145.10110	11.2
147.04431	1.5
147.08018	1.0
147.11668	16.2
149.05981	2.0
149.09615	1.7
149.13252	7.9
151.03889	1.1
151.07526	2.0
151.11163	1.4
153.05486	0.6
155.10709	0.8
157.10081	2.9
159.08072	1.1
159.11671	11.7
161.05994	1.3
161.09570	0.8
161.13242	7.9
163.03923	1.1
163.06009	4.2
163.07446	1.3
163.11162	2.0
163.14815	2.6
165.09073	1.3
165.12762	1.2
167.07033	5.8
168.07355	0.7
171.11684	4.8
173.09608	0.6
173.13261	7.7
175.03947	0.6
175.07460	1.1
175.14764	4.5
177.05484	1.1
177.12721	3.3
177.16449	0.6
179.14218	1.0
185.13243	5.1
187.07422	0.6
187.14810	6.3
198.74588	0.6
199.14815	2.8
201.12817	0.6
201.16342	3.2
203.10594	1.0
203.14204	0.9
203.17834	1.3
205.08513	1.0
205.12224	0.7
205.15874	2.9
207.06406	1.2
213.16452	1.1
217.19623	0.8
219.17442	3.1
221.18942	1.1
229.14357	1.3
231.21111	1.0
241.19505	8.7
242.19769	0.7
259.20554	23.6
269.17450	6.1
277.21603	21.5
278.21933	0.7
293.21085	1.6
295.05884	0.9
300.09244	0.7
301.07089	1.8
324.06055	0.8
325.07001	0.7
333.24158	5.5
335.09198	0.8
339.08490	0.8
351.25272	100.0
352.25635	2.0
369.26315	4.9
379.11398	0.7
385.23718	0.9
393.13132	1.4
393.26138	1.2
397.12738	1.0
411.14301	2.3
417.26376	0.8
429.26227	0.7
433.16391	0.7
441.26535	1.1
459.27490	1.5
477.28171	2.4
495.29562	4.5
513.30560	10.5
711.22607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01855	1.1
55.02104	0.4
55.05507	18.0
56.05035	0.4
57.03432	3.3
57.07071	0.5
58.06596	9.8
59.05004	2.9
59.39346	0.3
61.02907	0.5
65.03928	0.3
67.05505	2.2
68.05013	0.6
69.03075	0.5
69.03424	7.5
69.07059	0.4
70.06588	2.5
70.59707	0.8
70.60107	0.7
71.01351	0.5
71.04990	2.9
72.04515	0.5
72.08155	1.9
73.02918	4.9
73.06410	0.5
77.03912	0.4
78.04698	1.3
79.05481	1.7
81.03409	5.4
81.07049	1.0
83.01291	0.6
83.04974	10.2
84.08137	97.2
85.02899	16.3
85.03423	0.7
85.06538	3.6
85.08501	1.6
86.06059	3.0
86.09676	1.1
87.04453	4.7
91.05474	3.3
93.07019	1.4
95.04952	1.3
95.08618	0.7
96.08115	1.1
97.02269	0.6
97.02882	8.4
98.03227	0.5
98.06038	1.0
98.09686	13.3
99.04439	3.5
99.10024	1.0
100.07623	0.5
100.11250	5.1
101.02361	0.9
101.06010	41.9
102.06355	0.5
103.03935	0.4
103.05472	1.7
105.07014	5.6
106.04151	0.9
107.04949	2.1
107.08591	0.7
108.04432	0.4
109.02872	4.4
109.06487	0.4
111.04440	3.0
111.05570	0.5
112.07626	0.4
113.02330	0.3
114.09161	1.4
115.03914	0.4
115.05445	1.3
115.08692	0.4
118.04153	0.4
119.04934	2.3
121.02817	0.6
121.06520	2.4
121.10128	0.6
123.04448	3.1
123.08064	0.5
124.05211	1.3
125.05943	0.7
127.02946	0.5
127.03906	10.3
128.04256	0.8
128.07063	0.6
128.08176	1.3
128.10707	45.0
129.05475	1.1
129.11049	0.6
131.04947	1.0
133.06487	6.4
133.10112	0.7
134.38989	0.3
135.04401	0.4
135.07993	0.6
137.05972	1.3
138.05470	0.5
142.08640	1.3
143.07054	0.7
144.10170	3.0
145.02802	0.6
145.04938	1.7
145.06392	0.3
146.09317	2.0
146.11746	30.9
147.04407	7.1
147.06398	0.3
147.07886	0.3
147.11967	0.5
148.04741	0.4
149.05962	3.0
150.08971	0.3
151.03886	0.9
151.07533	1.4
152.04700	1.2
152.07047	0.5
153.01822	0.8
153.05428	0.6
153.09067	0.4
161.05971	10.6
165.05487	0.6
166.06247	0.7
167.07025	83.1
168.07469	1.5
175.03885	0.7
177.05460	1.4
179.03284	0.5
179.07066	0.6
181.08577	2.6
188.10397	0.5
188.12759	2.5
191.11572	0.6
193.08588	9.0
194.08946	0.6
207.06514	0.7
207.13748	0.5
209.07991	0.7
211.09634	5.1
214.14421	0.7
218.13867	0.7
230.13847	3.5
247.77539	0.3
248.14861	0.7
252.12378	0.5
254.13802	2.4
267.50674	0.4
270.13376	1.3
271.05994	12.7
272.14896	11.1
273.15085	0.4
288.14401	4.8
289.14548	0.6
290.15964	100.0
291.16394	2.4
295.05649	0.3
313.06979	0.4
321.07333	0.5
337.07043	0.5
351.08649	0.5
391.08200	0.5
433.11200	0.4
484.24777	0.4
500.24878	10.5
645.26709	0.4
692.32758	11.7
710.33710	69.7
711.34106	3.5
719.43707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01849	1.4
55.05507	17.4
56.05013	0.6
57.03435	6.8
57.07068	0.5
58.06596	10.1
59.05006	3.9
61.02909	1.8
67.01879	0.5
67.05504	2.6
68.05013	0.9
69.03425	10.0
69.07063	1.2
70.06587	2.2
71.01357	1.0
71.04987	18.8
72.05312	0.6
72.08153	3.4
73.02910	6.4
75.04475	1.8
76.71262	0.5
79.05487	1.9
81.03414	7.8
81.07071	1.0
82.03732	0.5
82.06592	1.0
83.04465	0.8
83.04973	14.3
84.04493	1.1
84.08137	100.0
85.02898	45.2
85.06535	3.6
85.08469	0.9
86.03231	0.7
86.06060	9.3
86.09676	0.7
87.04460	4.2
91.03984	0.6
91.05496	2.6
93.03384	0.4
93.07037	1.1
94.06564	1.6
95.04952	1.7
95.08630	0.6
97.02886	14.2
98.03185	0.5
98.06055	1.0
98.09688	2.9
99.04452	5.5
100.07623	1.4
100.11250	4.3
101.02389	0.9
101.06010	42.4
103.03906	1.0
103.05456	1.0
105.03391	0.5
105.07036	2.4
107.04958	2.6
109.02868	6.4
109.06497	0.5
109.10165	0.9
110.02418	2.4
110.06049	0.9
110.07146	0.7
111.04430	4.3
111.08039	0.6
112.07588	3.6
114.09147	1.3
115.03934	0.9
115.05451	0.7
116.06243	0.6
117.05473	0.9
117.07024	1.4
119.04954	2.0
119.08595	1.2
121.02870	1.7
121.06518	1.5
121.10099	0.6
123.04446	2.8
124.07574	0.8
125.06013	0.9
127.03905	14.2
128.04263	1.8
128.06207	1.1
128.07065	1.0
128.10704	46.6
129.05478	7.7
129.06950	2.4
130.08656	0.5
131.04922	1.3
131.08560	3.7
133.06483	3.0
133.10146	0.9
135.04436	1.2
136.07573	0.6
137.02382	0.6
137.06007	2.3
138.05479	0.5
139.03903	0.6
140.07086	1.2
141.05472	1.1
141.06938	1.0
143.07083	0.6
143.08516	0.6
144.05716	1.5
144.10191	2.4
145.02823	0.9
145.04935	2.3
145.06479	1.8
146.11751	29.4
147.04402	8.2
147.06444	2.6
147.07935	0.4
147.11812	0.6
149.05980	1.5
149.09549	0.4
150.05455	0.5
151.03970	0.6
151.07558	1.1
152.04620	0.5
152.07098	1.6
153.01814	0.6
153.05489	0.9
153.07050	0.5
157.06483	2.2
159.08058	5.6
161.05952	4.1
161.09612	1.4
161.13290	0.5
163.03954	1.9
163.06052	0.6
163.07559	0.7
164.07045	0.5
165.01787	3.6
165.05505	0.8
167.07031	18.5
168.06538	0.9
169.07751	0.6
169.09631	0.5
170.07260	0.7
171.06630	0.5
171.08096	0.8
173.06021	1.8
173.63667	0.5
175.03975	1.3
175.07549	0.8
177.05475	2.5
179.03398	2.8
181.04890	1.1
181.08673	1.1
183.02882	3.1
187.03944	0.8
187.07524	5.5
188.12828	3.1
189.05449	0.9
189.09096	2.5
191.01648	0.8
191.03377	14.2
191.05028	0.9
191.06999	0.7
192.03709	0.6
192.07744	0.5
193.05037	0.7
193.08589	3.9
199.07581	0.6
204.07869	1.5
205.04930	3.2
205.08710	1.7
207.02840	0.8
207.06528	1.0
209.04477	1.5
209.08067	0.9
214.14264	0.6
215.03445	1.1
216.08055	0.6
217.08591	1.1
218.11946	0.7
218.13947	0.8
219.10110	3.3
221.11899	0.7
223.06017	1.1
230.13928	3.8
231.10201	1.8
233.04431	15.9
237.11240	0.8
246.07669	1.3
248.15004	0.7
249.04012	0.6
249.11203	26.0
250.11418	0.6
251.05560	0.6
254.13773	2.5
264.08624	1.7
264.14819	0.5
269.08142	0.5
271.06116	1.2
272.14893	10.6
283.06000	3.1
284.07013	1.2
285.07532	4.0
288.14471	0.5
290.15961	83.5
291.16357	2.4
295.06244	0.8
297.07770	1.4
299.05710	0.8
307.06174	0.7
309.07632	1.4
311.09167	3.6
313.07016	5.2
321.07629	1.3
325.07294	0.9
335.09296	1.8
337.06952	2.6
339.08615	0.7
349.07062	1.1
352.12204	1.1
353.10147	4.2
361.07132	0.7
365.88846	0.5
366.13214	2.3
367.08038	4.5
370.13141	1.2
379.08328	0.9
381.18292	1.0
384.14465	21.7
385.09418	1.5
385.15054	1.3
397.09238	0.7
401.13797	0.5
402.15533	12.5
403.10300	1.9
403.15842	1.2
426.15219	0.7
433.11395	0.8
528.18652	1.1
529.13153	0.7
546.19849	1.4
547.14423	0.8
549.17108	0.6
565.15399	4.0
632.66949	0.5
648.78973	0.6
678.24414	0.5
680.32874	1.4
692.24969	3.4
693.26215	0.5
710.34222	98.4
711.22589	1.4
711.34143	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36447	0.4
52.84654	0.4
53.03936	2.0
55.01865	2.6
55.05505	3.8
56.05001	0.6
57.03431	11.9
58.06591	1.9
59.04995	1.2
61.02914	2.1
67.01860	0.5
67.05501	1.0
68.05034	0.7
68.99800	0.8
69.03424	8.1
69.07047	0.5
70.06583	4.1
71.01344	2.0
71.04985	63.0
71.29139	0.8
72.08143	3.5
73.02908	5.4
74.05716	0.6
74.06065	3.1
75.04471	6.1
79.05477	0.9
81.03419	4.3
81.07054	0.7
82.06571	1.2
83.04973	8.1
84.04491	1.2
84.08135	8.3
85.02897	100.0
86.03222	1.4
86.06059	33.7
87.04475	3.1
91.05478	1.6
93.65626	0.5
94.06551	4.7
95.04961	2.6
97.02881	11.6
97.06445	0.5
98.03220	0.5
98.06054	0.6
98.09696	1.8
99.04443	4.2
100.07594	3.2
101.06014	4.0
103.03942	1.1
103.05402	0.5
105.07018	0.7
107.04933	2.4
107.08601	0.6
109.02895	3.8
109.06512	0.8
110.02387	0.6
110.06044	0.9
111.04417	5.0
112.06823	0.6
112.07602	11.7
113.12814	0.5
115.03955	0.7
115.05486	0.6
116.07079	0.5
117.05499	1.6
118.06559	0.7
119.04941	2.8
121.02865	1.9
121.06511	1.0
123.04418	3.6
123.94400	0.5
127.03899	13.5
128.04240	1.6
128.10721	2.6
129.05464	22.7
130.08606	0.6
131.04938	0.9
133.06493	1.4
133.10271	0.5
135.04391	2.0
136.07553	1.4
137.02318	0.7
137.05991	1.1
138.05487	1.0
139.03883	0.7
140.07094	0.9
141.01865	0.8
141.05435	1.7
145.04916	3.1
146.11757	1.4
147.04399	12.1
147.06487	8.2
148.04677	0.5
149.05934	1.6
151.03885	0.9
152.07048	0.9
153.01822	8.6
157.06454	0.8
159.07994	0.8
161.05954	1.0
162.09140	0.5
163.03900	4.8
163.06035	1.8
163.07410	0.6
165.01819	11.2
165.05482	2.2
167.07013	1.8
168.06531	0.6
171.02887	1.3
175.03865	0.7
177.05440	2.6
178.08592	0.6
179.03383	11.5
181.04945	0.8
183.02872	13.3
185.05902	0.9
187.03868	1.2
191.03377	47.4
192.03787	0.7
201.09071	0.8
203.03381	0.9
204.06552	0.8
205.04961	9.1
207.02911	1.4
207.06502	1.3
208.09692	0.6
209.04414	6.6
214.12315	1.1
215.03334	3.1
221.04555	1.0
223.05936	0.9
227.06891	1.3
229.04951	0.8
232.13292	0.9
233.04430	62.0
234.04781	1.5
246.07671	4.6
249.11205	1.3
251.05482	2.9
257.04382	0.7
259.06033	0.6
264.08682	3.5
269.07974	1.1
273.07532	1.8
275.05405	0.9
283.05896	1.1
285.07556	13.2
286.07755	0.8
287.13919	1.4
288.14365	0.6
290.16010	4.7
293.08203	0.5
295.05978	1.4
296.06250	0.6
297.07593	1.0
299.05557	0.9
305.14847	0.7
307.05930	0.8
309.07336	1.5
311.05533	0.7
311.09109	12.9
313.07227	0.7
321.07339	0.8
323.08908	0.8
325.06915	0.8
335.09103	6.5
347.09387	0.6
349.06851	1.0
351.08075	0.9
353.10141	19.9
354.10611	0.7
366.13370	11.7
367.08081	0.9
377.09988	0.8
379.07794	0.7
384.14386	89.8
385.14761	3.3
402.15463	36.3
403.15793	1.3
408.13928	0.9
419.09900	0.6
426.15207	3.2
450.14792	0.8
474.81265	0.6
510.17355	0.8
528.18396	4.8
546.19751	11.6
572.21014	0.8
674.23907	1.3
675.14526	0.7
692.25494	17.5
693.25214	1.1
710.26025	38.2
711.27167	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	710.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
53.04166	0.5
55.01878	2.7
55.05506	2.5
57.03434	10.7
58.06583	1.8
58.81566	0.5
59.04987	1.0
61.02909	1.6
64.06358	0.6
67.05515	0.6
68.99809	1.1
69.03424	6.8
70.06577	1.1
70.46094	1.9
70.46513	1.1
71.01334	2.0
71.04988	59.1
72.05337	0.6
73.02902	4.3
74.06087	0.7
75.04472	6.6
79.05482	1.0
81.03426	3.0
82.06586	0.8
83.04968	8.0
84.04478	0.9
84.08134	0.9
85.02900	100.0
86.06060	24.5
86.06593	0.9
87.04453	3.2
91.05464	1.0
94.06561	3.8
94.74266	0.5
95.04962	2.3
97.02879	9.4
99.04446	3.7
100.07620	3.5
101.06061	0.9
103.03922	0.8
106.17846	0.5
107.04956	1.7
109.02875	1.4
111.04435	4.9
112.07596	11.5
115.03932	0.5
117.05531	1.8
119.04944	2.4
121.06493	1.3
123.04412	3.0
127.03919	5.8
128.04231	0.7
129.05473	24.3
130.05798	0.8
130.08588	0.8
135.04425	1.6
136.07585	1.1
137.05925	0.8
139.03886	0.8
141.01845	1.1
141.05475	1.9
145.04948	3.2
147.04417	10.7
147.06491	8.7
149.05966	0.7
153.01811	0.6
163.03880	4.3
163.06065	1.7
165.01826	15.2
165.05504	2.7
167.03421	0.8
169.04892	0.6
175.03903	0.7
177.05495	2.7
179.03394	8.6
181.05023	0.8
183.02872	11.2
187.03857	0.9
189.01859	0.9
191.03380	54.5
192.03676	0.7
193.05095	0.6
203.03462	1.2
205.04953	9.8
205.06789	0.3
207.02950	1.2
207.06487	0.9
209.04449	5.8
215.03374	4.2
217.04880	0.6
218.08401	0.5
220.09753	1.0
221.04385	0.8
223.05940	0.8
229.04977	0.6
233.04433	59.5
234.04771	1.0
246.07587	5.3
251.05495	2.0
257.04456	1.6
264.08627	5.7
269.08176	0.9
273.07553	1.5
275.05582	1.1
278.13055	0.6
285.07584	13.1
286.08029	0.9
299.05417	1.4
305.86578	0.5
311.09097	13.9
311.12469	0.9
323.09460	0.8
335.09042	6.0
353.10144	17.5
354.10510	0.9
366.13330	8.8
377.09866	0.6
384.14395	85.1
385.14716	3.2
393.71759	0.6
402.15448	54.4
403.15897	2.2
425.14441	0.5
426.15683	3.2
430.90591	0.5
450.15479	1.0
485.71109	0.6
510.17081	1.1
528.18707	6.6
546.19611	5.9
564.20398	0.8
572.21460	0.9
674.24280	1.3
692.25323	11.2
693.26251	0.7
710.26422	40.3
711.26648	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01602	0.1
51.02366	0.2
51.16998	0.1
53.00306	0.1
53.03933	0.3
54.80573	0.1
55.01864	0.2
55.05500	0.2
57.03426	0.3
57.32608	0.1
63.02362	0.1
65.03922	1.1
67.05495	0.4
68.99791	0.3
69.03422	1.6
69.07047	0.1
70.00196	0.4
70.06553	0.1
71.04987	0.3
72.08134	0.1
73.02920	0.2
76.03131	0.1
77.03916	0.4
79.05479	0.3
81.03407	4.2
81.07054	0.5
83.01293	0.1
83.04967	0.1
85.02898	1.5
85.54627	0.1
89.03882	0.6
91.05469	17.3
92.05803	0.1
93.07030	0.4
95.04967	0.6
95.08578	0.4
97.02878	2.3
99.04425	0.8
103.03912	0.1
103.05460	0.6
105.03355	0.5
105.07003	0.3
107.01304	0.1
107.04958	0.4
107.08556	0.3
109.02863	1.6
109.06500	0.2
109.10139	0.2
111.04430	0.1
114.12265	0.1
115.03920	0.3
117.03384	0.2
117.07000	0.2
118.04113	0.3
119.04926	27.4
120.05238	0.2
121.02857	0.3
121.06469	0.4
121.10127	0.2
122.03642	0.2
123.04418	2.9
125.09591	0.1
127.03901	5.4
129.03313	0.4
129.04514	0.1
131.04893	0.3
131.08543	0.1
132.02040	1.0
133.02827	0.3
133.06439	0.1
133.10162	0.2
134.03557	0.1
135.04427	0.6
135.08032	0.1
135.11740	0.1
136.05254	0.4
137.05946	0.3
139.03900	0.2
145.02817	0.8
145.04941	0.2
145.06337	0.1
146.03560	0.2
147.04388	24.9
148.04720	0.2
149.02336	0.7
149.05957	1.2
150.03055	0.1
151.03902	0.1
151.07545	0.3
152.04568	0.1
153.01830	0.2
157.02762	0.1
157.03934	1.9
157.05107	0.2
158.03571	0.1
160.01472	0.1
161.05902	0.2
161.09521	0.1
162.03053	0.2
163.03865	0.2
163.07513	1.2
164.04666	0.9
165.05412	0.1
167.07071	0.7
171.11685	0.1
173.09564	0.1
174.03175	0.1
175.03883	42.2
176.04341	0.4
177.05466	0.7
177.09071	0.4
178.02701	0.1
179.07011	2.1
181.04895	0.1
187.07475	0.2
192.04143	0.9
193.04868	0.1
201.09148	0.1
205.04880	0.2
205.08603	1.4
207.06497	100.0
208.06813	0.8
209.07939	0.1
223.05936	0.4
225.07549	0.4
241.06920	0.6
255.06483	0.2
259.08096	0.3
266.85220	0.1
271.08371	0.1
309.09656	0.2
317.06537	0.1
329.06372	0.2
341.13800	0.5
351.10703	6.5
353.06387	0.1
353.10141	0.6
369.11761	4.7
377.94168	0.1
385.11954	0.1
403.12436	0.1
421.13120	0.2
491.11975	0.1
529.34589	0.1
700.64441	0.1
709.21930	0.1
709.40063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01868	1.5
55.05495	2.8
55.59687	1.0
56.45853	0.8
57.03429	8.8
59.04987	1.5
61.02914	1.3
67.05491	3.2
68.99783	2.3
69.03423	42.0
69.07068	1.6
69.78621	7.2
70.06574	3.3
70.68329	1.0
71.01350	1.5
71.04986	43.4
71.72928	0.8
72.08142	2.0
73.02921	2.7
75.04443	1.0
79.05488	3.7
81.03418	10.3
81.07049	3.8
82.54951	0.9
83.01330	1.6
83.04974	7.2
84.05285	1.0
84.08131	6.6
85.02898	66.9
85.06556	1.6
87.04481	3.4
90.87342	1.0
91.05476	6.9
93.03407	1.2
93.07037	3.3
95.04972	5.7
95.08577	1.9
97.02877	32.9
97.06497	2.1
98.20898	1.3
99.04452	11.5
101.06013	4.0
103.03958	5.0
103.05434	1.3
105.06998	4.0
107.04939	10.7
107.08585	1.7
109.02867	13.9
109.06506	2.6
109.10100	1.1
110.96912	0.8
111.04427	12.6
113.02357	0.9
113.05949	1.0
115.03871	4.8
117.06973	1.6
119.04926	7.6
119.08591	1.8
121.02844	5.3
121.06505	4.3
121.10142	1.5
123.04424	3.7
125.02330	1.0
125.06004	1.9
127.03904	100.0
128.04228	1.3
128.10730	3.0
129.05464	11.5
131.04889	2.4
131.08565	1.4
133.06461	3.2
133.10173	1.8
135.04404	24.6
137.05968	3.6
139.03889	1.8
145.04912	5.0
145.06563	1.5
146.11781	1.7
147.04399	24.7
147.06525	2.8
149.02362	1.2
149.05969	2.4
149.09604	1.1
151.03883	3.7
151.07481	1.4
153.01810	11.1
153.05490	2.2
157.05002	2.1
159.04443	2.1
161.05945	5.1
161.09604	1.2
163.03885	4.2
165.01816	19.9
165.05463	2.4
167.07042	6.7
171.02847	2.4
171.04219	1.3
175.00240	1.0
175.03842	6.1
175.07463	1.4
175.14742	1.0
177.01825	7.3
177.05417	5.8
179.03368	3.7
179.07031	1.2
181.04947	2.1
183.02870	21.9
187.03900	2.9
187.06009	1.2
187.07533	2.9
189.01790	3.9
189.05475	2.9
191.03368	13.1
193.01236	1.4
193.04973	2.1
195.02853	13.1
197.00766	1.3
197.04208	1.2
201.01801	1.0
201.05424	3.2
203.03375	13.2
205.04901	4.4
205.06769	1.5
207.02901	10.2
207.06499	6.7
209.04420	2.4
213.05460	2.3
215.03337	3.9
217.01396	1.4
217.04912	8.0
219.02870	39.9
221.04430	7.9
223.02472	2.0
223.05965	4.8
225.03911	3.9
227.03348	1.7
229.04994	4.2
231.02892	14.0
231.06529	1.4
233.04471	7.6
235.05997	2.5
237.03867	2.7
241.04916	2.5
241.07092	7.2
243.02919	5.7
243.06451	1.6
245.04439	38.6
247.02133	1.2
247.05978	2.0
249.03871	10.2
255.02881	1.1
255.06532	3.0
257.04385	8.0
259.08157	3.2
261.03909	26.3
263.05481	35.9
264.06229	1.2
269.04398	7.0
271.05731	5.1
271.08405	2.3
273.03967	5.5
273.07562	9.4
275.05511	5.4
281.06616	6.0
283.05963	5.9
285.03949	9.3
285.07559	20.2
287.05441	11.3
290.15906	3.7
291.05008	3.0
291.16315	2.8
297.04141	2.0
297.07462	12.9
299.05597	4.4
301.06821	1.7
303.05008	4.3
305.06482	6.0
309.04172	1.2
309.07611	5.1
311.05588	5.8
311.12842	1.3
313.07150	1.1
315.04968	1.7
317.06342	1.5
321.07428	1.0
323.07806	4.3
325.06982	2.1
327.04935	4.1
327.08667	4.2
329.06519	11.6
337.07043	1.6
339.08701	20.0
341.06354	1.5
347.07782	3.6
351.08417	7.7
353.06500	2.7
355.08304	1.6
359.07733	1.4
363.08066	2.1
365.10159	15.4
371.07657	3.5
373.09262	1.6
377.10013	1.3
381.09705	9.8
383.11243	41.0
384.11572	1.3
385.11752	1.7
389.08551	6.6
391.10162	2.8
393.09625	2.5
395.11328	5.6
401.12244	36.8
403.12393	1.3
405.09277	3.1
407.10440	10.9
409.12009	1.1
410.88290	1.0
411.10641	1.7
413.12308	9.8
417.11667	4.4
421.13571	1.8
423.10880	2.7
425.11761	12.1
429.11798	8.7
431.11337	1.4
433.12036	1.1
437.22165	1.5
441.11530	2.0
443.13272	8.5
449.12271	6.2
459.12735	8.9
461.12308	1.4
467.13135	8.9
473.12234	1.5
475.13632	2.0
475.30267	1.8
479.13345	3.5
483.12936	3.1
485.12259	1.1
491.13232	4.2
493.14520	1.4
493.31577	1.1
497.14749	1.4
509.14532	8.7
511.15900	3.5
527.15295	16.0
529.16840	2.0
545.16528	7.5
547.17053	1.4
563.18030	1.3
585.06390	1.2
592.45746	1.0
603.40881	1.2
650.18097	1.0
709.29443	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	709.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01857	0.5
55.05505	0.3
57.03424	0.6
61.02911	0.2
65.03930	0.2
66.82959	0.1
67.05500	0.3
68.99792	0.2
69.03422	4.0
69.07069	0.2
70.06590	0.9
71.04990	1.0
71.62629	0.2
72.07790	0.1
72.08144	0.8
73.02904	0.6
74.06067	0.3
79.04633	0.1
79.05486	0.5
81.03411	3.9
81.07045	0.6
83.01343	0.3
83.04964	1.0
84.08134	0.4
85.02895	5.7
85.03416	0.3
86.09705	0.3
87.04455	0.6
91.05480	0.8
93.07043	0.6
95.04975	0.7
95.08578	0.4
97.02880	42.5
97.06504	0.2
98.03226	0.4
98.06013	0.1
99.04443	7.4
101.02370	0.3
101.05943	0.2
103.03929	2.4
103.05455	0.4
105.07011	1.1
107.04953	0.5
107.08559	0.2
109.02866	7.1
109.06525	0.3
110.02412	0.2
111.04453	1.0
112.07603	0.4
113.02360	0.2
114.10236	0.2
115.03917	7.6
115.08649	0.1
119.04913	0.5
119.08561	0.2
121.02879	0.2
121.06486	0.9
123.04408	0.5
123.08047	0.4
125.02366	0.7
127.03902	100.0
128.04239	1.1
129.05522	0.1
131.04897	0.4
133.06480	0.5
133.10048	0.1
135.04388	0.4
137.05949	0.6
139.03044	0.2
139.03908	1.6
140.07082	0.2
141.05489	0.2
143.03357	0.2
143.04951	0.2
145.04955	2.8
147.04375	1.7
148.04785	0.1
149.05983	1.2
151.03928	0.5
151.07507	0.8
153.01706	0.2
153.05460	0.3
157.04948	2.2
159.04420	0.2
161.05978	1.3
163.03926	0.8
163.05991	0.3
164.07024	0.3
165.05467	0.4
167.07095	0.9
167.08324	0.2
169.04977	0.7
169.06247	0.2
173.04439	0.3
175.03888	0.3
175.06068	0.7
177.05441	2.2
179.07002	0.9
179.08351	0.1
181.04967	1.3
187.04248	0.2
187.05983	1.2
187.07445	0.2
191.07031	0.2
193.04950	1.8
193.08607	0.2
195.06487	0.3
197.08058	1.4
199.05992	1.2
199.07558	0.2
201.05585	0.1
205.04951	3.5
205.07025	0.8
207.06491	0.6
209.08160	0.2
211.05817	0.3
223.05984	7.8
229.07036	0.4
235.06000	0.4
235.14496	0.1
241.07036	10.5
247.08156	0.3
253.07033	0.7
257.06784	0.2
259.08118	4.2
271.05902	0.5
271.08401	1.2
273.07513	0.3
277.09137	0.2
283.08151	0.3
285.07578	0.2
289.09131	1.0
301.09354	0.2
304.55667	0.1
319.10269	0.3
331.08102	0.2
337.11285	0.2
339.08777	0.2
349.09152	0.4
367.10168	1.9
373.11057	0.4
385.11295	2.1
401.11157	0.1
403.12332	3.4
415.12015	0.3
421.13370	3.5
529.15631	0.7
547.16315	0.7
547.25574	0.3
565.16785	0.2
709.30487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67378	0.1
53.03940	0.9
55.01867	0.5
55.05500	0.6
57.03431	1.0
59.05000	0.2
61.02916	0.3
62.20947	0.1
63.68767	0.1
65.27541	0.2
67.05492	0.5
68.99785	0.2
69.03072	0.2
69.03426	3.8
69.07048	0.3
70.06579	0.9
70.89414	0.4
71.01330	0.1
71.04993	1.5
72.08149	1.2
73.02914	0.9
79.05482	0.4
81.03413	4.2
81.07053	0.6
82.06562	0.6
83.01333	0.4
83.04984	1.0
84.08138	0.4
85.02898	7.0
85.06532	0.2
86.06062	0.2
86.09693	0.3
87.04455	0.7
91.05458	0.8
93.07050	0.7
95.04964	0.8
95.08607	0.4
97.02885	40.4
97.06508	0.3
98.03216	0.3
98.05995	0.2
98.09669	0.5
99.04448	7.5
100.07611	1.6
101.02351	0.3
101.07938	0.1
103.03314	0.2
103.03941	2.4
103.05437	0.4
105.07014	1.1
107.04931	0.4
107.08583	0.2
108.63943	0.1
109.02867	7.0
109.06507	0.3
111.04424	1.2
112.07554	0.4
114.10287	0.3
115.03921	6.9
117.03392	0.1
119.04922	0.5
121.02830	0.4
121.06499	0.8
121.10086	0.2
123.04395	0.5
123.08078	0.5
125.02338	0.5
125.06034	0.2
127.03907	100.0
128.04243	0.7
129.05496	0.4
131.04892	0.4
133.06459	0.5
133.10130	0.2
135.04410	0.4
135.08023	0.2
137.02333	0.3
137.05960	0.5
139.03888	1.5
141.05475	0.2
145.04948	2.8
146.08105	0.4
147.04395	2.3
149.06007	1.1
151.03931	0.4
151.07555	1.0
153.01775	0.2
153.05475	0.2
157.04980	2.2
159.04440	0.3
159.11751	0.2
161.05998	1.3
163.03886	0.6
163.06015	0.5
165.01834	0.5
165.05507	0.5
167.07014	0.5
169.04913	0.7
173.04460	0.3
175.06033	0.8
177.05467	2.1
179.07021	0.8
179.08356	0.1
181.04927	1.2
183.02907	0.9
183.06496	0.2
184.03258	0.3
187.03944	0.2
187.05998	1.3
189.08986	0.2
191.06993	0.2
191.10690	0.2
193.04979	1.4
195.06473	0.3
197.08093	1.4
199.05997	1.0
205.04947	3.7
205.07010	0.9
207.06564	0.2
211.05931	0.2
223.05989	8.2
229.06969	0.4
235.05927	0.3
241.07048	10.3
253.07045	0.7
259.08105	5.0
271.05984	0.2
271.08173	1.7
277.09167	0.2
280.08167	0.2
283.08038	0.3
285.07556	0.6
286.07761	0.3
289.09225	0.8
301.09109	0.4
319.10150	0.3
331.08054	0.3
349.09097	0.7
367.10220	1.9
373.11276	0.3
383.11130	0.4
385.11353	2.1
397.10886	0.3
400.13718	0.3
401.13547	0.7
403.12289	2.9
421.13388	3.4
437.00037	0.2
437.18066	0.2
475.29990	0.2
479.89053	0.2
529.15387	0.6
547.16541	0.4
565.17126	0.3
709.24561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01617	0.1
55.01863	0.5
55.05501	0.3
57.03431	0.4
59.05009	0.2
59.35484	0.1
61.02907	0.2
65.03938	0.2
67.05489	0.3
67.91209	0.1
68.99810	0.2
69.03422	4.0
69.03807	0.2
70.06572	0.5
71.04987	0.9
72.08150	0.2
73.02913	0.6
75.45735	0.1
77.01765	0.1
78.97755	0.1
78.99565	0.1
79.05476	0.5
81.03412	3.6
81.07055	0.2
83.01334	0.5
83.04974	1.0
84.08134	0.4
84.43722	0.1
84.76359	0.1
85.02898	5.4
87.04471	0.5
91.05472	0.7
93.07032	0.4
95.04976	0.7
95.08593	0.3
96.08160	0.1
97.02882	42.8
98.03227	0.3
99.04443	6.8
101.02359	0.2
101.05987	0.2
103.03929	2.3
103.04546	0.2
103.05440	0.3
105.07025	1.0
107.04959	0.3
107.08553	0.1
109.02870	7.2
109.06535	0.2
110.06030	0.1
111.04451	1.1
112.07593	0.2
115.03918	7.1
119.04945	0.5
121.02872	0.2
121.06506	0.8
123.04468	0.6
123.08070	0.3
125.02344	0.4
127.03903	100.0
128.04245	0.9
129.05501	0.2
131.04933	0.3
133.04939	0.3
133.06445	0.6
135.04387	0.4
137.02344	0.2
137.06006	0.3
139.03897	1.5
141.05496	0.2
145.04938	2.8
147.04379	0.7
149.05977	1.0
151.03931	0.4
151.07541	1.0
153.01785	0.1
153.05524	0.3
157.04958	2.1
159.04422	0.4
161.05989	1.1
163.03871	0.5
163.06018	0.4
165.05482	0.4
167.07053	0.4
169.04915	0.7
173.04457	0.2
173.05881	0.1
175.03909	0.3
175.06023	0.7
177.05447	2.2
179.07007	0.7
181.04938	1.6
187.04214	0.2
187.06003	1.2
187.07520	0.2
193.04950	1.5
195.06519	0.2
197.08060	1.5
199.05994	1.4
205.04958	3.9
205.07048	0.8
207.06555	0.5
209.08031	0.2
211.06004	0.3
223.05988	8.5
224.06395	0.1
225.27776	0.1
229.07086	0.5
235.06017	0.3
241.07040	11.1
242.07378	0.2
247.08089	0.2
253.07086	1.0
259.08127	5.1
270.18375	0.1
271.05627	0.2
271.08279	1.5
272.21133	0.1
275.07437	0.1
277.09262	0.2
283.08023	0.3
285.07574	0.5
289.09213	0.7
290.16010	0.2
301.09274	0.3
313.06610	0.1
317.06726	0.1
319.10165	0.5
331.08176	0.2
337.11636	0.2
339.08499	0.2
343.14203	0.1
349.09180	0.5
367.10153	1.8
368.10632	0.1
373.11200	0.3
383.11618	0.2
385.11221	2.6
395.11426	0.1
403.12335	3.3
404.12622	0.1
415.12302	0.2
421.07788	0.2
421.13376	3.8
425.12219	0.2
491.29959	0.1
529.15472	0.6
545.16492	0.2
547.16467	0.7
709.31525	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	709.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.2
53.03945	0.9
55.01869	0.7
55.05505	0.6
57.03439	0.8
57.76153	0.2
59.04990	0.2
60.41686	0.1
61.02921	0.3
66.55325	0.2
67.05502	0.7
69.03426	4.4
69.07067	0.3
69.55324	0.7
69.55755	0.6
70.06586	0.3
71.01352	0.2
71.04993	1.0
72.08142	0.5
73.02915	0.9
78.93604	0.1
79.05492	0.7
81.03413	4.5
81.07053	0.9
81.32239	0.2
83.01345	0.6
83.05000	0.9
85.02899	6.4
85.06512	0.2
86.09691	0.2
87.04472	0.4
91.05472	1.7
93.07050	1.2
95.04964	0.9
95.08591	0.9
97.02886	42.4
97.06541	0.2
98.02627	0.2
98.03227	0.5
98.06036	0.2
99.04447	7.1
101.02364	0.2
103.03944	2.4
103.05474	0.5
105.07011	1.3
107.04954	0.5
107.08601	0.5
109.02869	7.4
109.06506	0.4
109.10150	0.3
111.04411	0.9
113.02364	0.2
115.03919	6.2
116.04301	0.2
117.05489	0.2
117.06988	0.3
119.04942	1.7
119.08569	0.3
121.02856	0.3
121.06505	0.9
121.10122	0.3
122.03599	0.2
123.04482	0.8
123.08079	0.6
125.02370	0.5
125.06010	0.2
127.03909	100.0
128.04231	1.1
131.04926	0.7
131.07040	0.2
131.08583	0.2
133.06500	0.5
133.10056	0.4
135.04388	0.5
135.08122	0.2
137.05968	2.3
139.03909	1.4
141.05501	0.2
143.04956	0.2
145.02834	0.4
145.04938	2.8
145.06140	0.2
145.10162	0.3
147.04398	2.6
147.11665	0.2
148.04744	0.3
149.05986	1.0
149.13261	0.3
151.03937	0.5
151.07542	2.0
153.05460	0.4
155.03368	0.2
157.04974	2.1
159.04401	0.3
161.05937	1.3
163.03946	0.5
163.06003	0.4
163.07448	0.2
163.11218	0.2
165.05463	0.3
165.09120	0.2
167.07050	1.7
169.04918	0.8
173.04504	0.3
175.03917	2.5
175.06007	0.9
175.07542	0.8
177.05469	2.3
179.07024	0.8
181.04956	1.4
187.04402	0.2
187.06035	1.2
187.07547	0.3
191.07022	0.2
191.14401	0.2
193.04973	1.6
193.08582	0.3
195.06554	0.3
197.08047	1.5
199.06021	1.2
205.04985	3.7
205.07056	0.6
207.06508	5.5
211.05948	0.2
219.08099	0.2
223.05995	8.5
229.07124	0.5
235.05855	0.2
241.07062	11.0
247.08119	0.2
248.08426	0.2
251.10805	0.4
253.07016	0.9
257.06824	0.2
259.08133	5.1
260.08395	0.2
271.05905	0.1
271.08160	1.4
277.09164	0.2
282.09576	0.2
285.07550	0.3
289.09134	0.8
291.09988	0.2
301.06805	0.2
311.12900	0.5
313.07059	0.4
314.04111	1.0
319.10138	0.3
323.12613	0.6
329.06528	3.4
331.08081	0.2
337.07208	0.4
337.11020	0.4
338.07816	0.2
349.09210	0.6
351.10928	0.6
353.10233	0.5
367.10284	1.7
371.11362	0.5
373.11230	0.4
385.12512	3.6
389.12219	1.0
403.12344	3.4
421.13394	3.8
425.30151	0.3
443.31482	0.5
491.13397	0.5
529.15588	0.7
547.16614	0.8
709.41370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01866	0.7
55.05515	0.5
57.03435	1.3
59.05006	0.2
61.02914	0.6
61.03801	0.2
67.05484	0.4
68.99779	0.3
69.03419	8.4
69.07038	0.2
70.06592	0.3
70.90184	0.3
70.90521	0.4
71.01343	0.2
71.04984	6.2
73.02900	0.8
75.04450	0.3
79.05451	0.4
81.02967	0.4
81.03407	5.0
81.07056	0.5
83.01317	0.4
83.04977	1.3
84.08145	0.3
85.02894	11.8
87.04451	0.7
91.05468	0.9
93.03391	0.5
93.07016	0.6
95.04979	1.1
95.08601	0.5
97.02879	44.2
97.06487	0.3
98.03222	0.5
99.03827	0.4
99.04444	7.6
101.02389	0.3
101.06007	0.2
103.03943	2.6
103.05460	0.5
105.07013	0.9
107.04937	1.7
109.02866	7.5
109.06485	0.3
111.04411	2.1
115.03918	7.3
119.04939	1.0
121.02837	0.7
121.06506	1.4
123.04430	0.7
123.08073	0.4
125.02345	0.7
125.05948	0.4
127.03901	100.0
128.04271	1.3
129.05479	1.3
131.04898	0.5
133.04985	0.3
133.06464	0.6
135.04405	3.4
135.08070	0.2
137.02315	0.3
137.05942	0.6
139.03886	1.5
145.02917	0.2
145.04927	2.4
145.06067	0.3
147.04390	3.1
147.06474	0.5
149.05966	1.0
151.03883	0.8
151.07545	1.0
153.01799	1.5
155.03310	0.2
157.04939	2.5
159.04382	0.4
161.05994	1.8
163.03854	0.8
163.05969	0.4
165.01825	2.4
165.05499	0.4
167.07040	0.7
169.05000	0.7
171.02841	0.3
171.04306	0.2
173.04451	0.4
173.05960	0.6
175.03879	0.7
175.05991	0.7
177.01883	1.1
177.05443	2.3
179.03372	0.5
179.07034	1.3
181.04915	1.6
183.02859	2.2
187.03935	0.4
187.05984	1.2
187.07489	0.3
189.01830	0.6
189.05643	0.2
191.03404	1.7
193.04904	2.0
195.02879	2.0
195.06505	0.4
197.08067	1.7
199.04382	0.2
199.05981	1.2
200.78592	0.2
201.01833	0.2
201.05466	0.4
203.03351	1.8
205.04976	4.3
205.06984	0.8
207.02858	1.3
207.06491	0.5
209.04362	0.3
209.08000	0.2
213.05411	0.4
215.03383	0.3
217.05042	0.9
219.02864	4.9
221.04475	1.0
223.05978	8.1
224.06258	0.3
225.03854	0.3
229.04892	0.6
229.07001	0.5
231.02861	1.4
231.06551	0.3
233.04379	0.9
235.06041	0.5
237.03870	0.3
241.05150	0.5
241.07042	11.8
242.07326	0.3
243.02910	0.6
243.06384	0.2
245.04446	4.7
247.05858	0.4
249.03979	1.1
253.07027	0.7
255.06526	0.5
257.04218	1.0
259.08142	4.8
260.08356	0.2
261.03909	3.3
263.05478	4.4
269.04416	0.8
271.05725	0.3
271.08163	1.4
273.03915	0.6
273.07498	1.3
275.05457	0.6
277.08954	0.2
281.06506	0.8
283.08411	0.3
285.03912	1.1
285.07520	2.8
287.05405	1.3
289.09152	1.0
291.04990	0.3
293.06528	0.3
295.05798	0.2
297.04346	0.2
297.07556	1.5
303.04849	0.3
305.06467	0.7
309.07501	0.6
311.05243	1.1
315.04907	0.3
315.08481	0.3
319.10138	0.6
321.06393	0.3
323.07816	0.7
327.05002	0.3
327.08527	0.6
329.06448	1.3
337.07169	0.3
339.08603	2.4
347.07751	0.6
349.09134	0.4
349.33304	0.2
351.08578	1.2
363.07425	0.4
365.10110	2.4
367.10251	2.0
368.10516	0.2
371.07834	0.4
373.09293	0.3
381.09647	0.9
383.11176	4.9
384.11456	0.4
385.11270	2.4
389.08698	1.0
391.10104	0.5
393.09940	0.3
395.11264	0.6
401.07468	0.4
401.12268	5.1
403.12302	3.0
405.09409	0.2
407.10312	1.6
409.11038	0.2
411.10718	0.3
413.12158	0.9
417.11514	0.5
421.13370	3.5
423.10532	0.3
425.11658	1.5
429.11969	1.4
431.10828	0.2
441.11774	0.5
443.13171	0.9
449.11993	0.8
459.12811	1.4
467.13260	1.3
479.13327	0.3
483.12457	0.3
485.13141	0.3
491.13455	0.3
497.13882	0.2
509.14005	0.7
511.15189	0.6
527.15485	1.8
529.15417	0.9
545.16388	0.8
547.16376	0.8
563.17059	0.3
565.17627	0.4
586.13324	0.3
709.28339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95573	1.1
53.03942	4.1
55.01863	17.6
55.05257	2.4
55.05509	35.1
57.03175	2.3
57.03434	25.9
57.07088	2.9
58.06585	1.1
59.04991	2.3
60.07403	1.4
61.02916	7.8
62.71184	1.0
63.64991	1.0
65.03942	2.7
67.05501	50.5
69.03421	13.7
69.07060	14.8
69.69749	5.4
69.70163	3.5
70.06585	3.3
71.01347	2.7
71.04983	9.5
73.02915	6.1
77.81158	1.2
78.95868	1.2
79.05489	45.5
79.05957	2.2
81.03413	93.9
81.07053	51.4
82.04200	3.5
82.07375	1.4
82.26633	1.1
83.01356	2.1
83.04475	1.7
83.04977	33.2
83.08616	32.1
83.09106	2.3
84.02130	1.5
84.04497	1.8
84.08129	1.4
85.02414	2.6
85.02901	35.2
85.06541	4.9
86.09700	2.0
87.04446	1.8
91.03938	2.9
91.05476	53.9
92.04995	3.1
93.07037	35.3
94.07362	1.5
95.04964	42.5
95.08598	20.1
97.02891	18.4
97.06516	12.2
97.10157	14.8
98.07307	4.3
98.09675	1.4
99.04452	3.4
99.08075	3.2
101.06055	2.3
105.07024	35.6
107.04942	16.0
107.07873	1.7
107.08583	20.3
109.02876	4.6
109.06519	9.1
109.10146	18.0
111.04435	7.0
111.08077	18.4
113.06028	3.0
115.03909	1.6
115.05435	2.0
115.87434	1.2
116.04694	11.2
117.07036	5.8
119.04929	5.5
119.08577	29.6
121.02818	2.0
121.06522	4.5
121.10126	16.6
123.03666	1.2
123.04414	7.4
123.08041	8.4
123.11782	2.7
125.05992	2.0
125.09624	16.8
127.03912	15.0
127.07588	2.1
127.11193	2.4
128.04211	1.2
129.05473	25.5
129.06976	14.9
131.04890	2.1
131.08557	19.4
133.06473	3.7
133.10117	19.9
133.11052	1.7
135.04477	1.8
135.08057	5.0
135.11668	9.4
136.45505	1.3
137.05966	2.1
137.09610	4.6
137.76155	1.3
139.07556	1.7
142.07779	5.0
143.07005	4.8
143.10674	1.7
145.04979	2.3
145.06441	1.4
145.10114	8.4
147.04391	6.3
147.08040	6.7
147.11670	23.2
149.06012	2.4
149.09634	14.7
151.07539	5.3
151.11107	1.7
153.09137	1.9
153.12753	4.3
154.04987	49.6
155.05351	2.2
157.08606	13.1
157.10127	21.3
158.05721	1.9
159.08080	1.3
161.05962	2.1
161.09653	1.7
163.03912	1.6
163.11174	12.7
165.09088	1.3
165.12782	5.7
167.06990	7.4
169.10028	1.7
171.06561	2.4
171.10167	3.5
173.09654	3.6
173.11766	3.7
173.13272	2.2
175.03925	4.0
175.07561	1.7
175.11189	21.7
177.05470	2.3
181.12210	4.6
189.11270	6.9
191.10670	5.0
193.12234	76.6
194.12590	1.8
199.13274	14.8
200.14047	2.0
205.08641	1.6
207.06511	7.3
208.06848	1.5
209.11665	11.4
210.12099	1.4
211.13277	100.0
212.13394	1.4
219.13797	1.8
227.12738	16.1
229.14304	6.4
247.13318	2.9
249.14850	1.5
255.06496	2.0
255.15981	3.1
267.15884	31.6
267.18567	2.3
269.17413	1.8
271.06097	1.7
280.08075	13.9
283.15411	17.9
284.16162	1.7
285.16956	68.6
286.17288	2.5
295.06146	1.4
297.07425	1.6
298.09250	4.5
301.16446	60.3
313.07040	1.4
325.07166	2.3
335.09363	1.6
339.08514	1.9
339.17764	1.8
340.09033	1.7
389.26620	1.4
409.25870	4.2
411.14270	2.2
412.15097	1.4
421.25836	3.3
427.26855	4.9
439.26907	17.4
459.27579	3.8
461.28799	3.0
465.27994	1.5
475.26828	4.7
476.27420	1.9
477.28415	5.6
493.27896	23.8
494.28714	6.9
511.28973	62.2
512.29639	1.3
591.54510	1.3
635.76178	1.2
708.40454	2.7
709.23657	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	708.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01865	0.8
55.05504	9.0
56.05031	0.4
57.03430	6.8
58.06334	0.5
58.06594	5.6
59.04995	2.2
61.02914	0.8
67.01855	2.4
67.03696	0.3
67.05501	1.2
68.99788	1.4
69.03066	0.5
69.03423	6.7
69.07047	0.6
70.06580	2.5
71.01344	1.7
71.04987	27.1
72.08145	0.9
73.02913	3.9
75.04467	2.1
76.99403	0.3
79.05486	0.7
81.02970	0.4
81.03414	4.5
81.07034	0.8
83.04975	10.1
84.04492	0.4
84.08135	55.8
85.02896	40.9
85.06527	1.9
85.08487	0.4
85.99429	0.3
86.06059	3.4
86.09729	0.5
87.04459	4.2
91.05470	1.2
93.07072	0.4
95.04962	1.2
95.08586	1.1
96.08138	0.6
97.02881	15.3
97.06503	0.5
98.06033	0.5
98.09677	5.9
99.04451	5.2
99.10024	0.6
100.11230	2.9
101.02389	0.5
101.06007	24.2
101.12049	0.4
103.03924	1.1
103.05437	0.3
105.07025	1.0
107.04955	1.2
107.08601	0.3
109.02863	4.4
110.02416	0.4
111.00822	0.5
111.04432	4.1
111.05576	0.7
112.07538	0.4
114.09135	0.8
115.03941	1.8
119.04927	2.5
119.08591	0.7
121.02864	0.6
121.06493	1.5
123.04411	1.6
125.02336	0.6
125.06014	0.4
127.03905	32.8
128.04234	0.3
128.08211	1.1
128.10703	37.3
129.05469	3.9
131.04965	0.6
133.10127	0.7
135.04398	0.7
135.08112	0.3
137.05977	0.9
137.09651	0.4
138.05490	0.5
139.03893	1.0
140.07028	0.3
142.08649	0.6
143.07053	0.6
144.10179	2.9
145.04980	1.8
145.06390	0.4
146.09276	3.0
146.11745	24.4
147.04391	9.3
147.06589	0.4
149.06032	0.9
151.03900	0.5
151.07596	0.5
153.01814	28.7
154.02052	0.4
157.04999	0.8
161.05986	1.1
163.03946	0.6
167.07010	3.4
169.05051	0.5
170.08133	0.4
171.02869	25.8
175.03941	0.4
175.14819	0.5
179.03366	1.8
188.03740	0.4
188.12787	3.5
189.05447	0.4
191.03386	0.4
191.11536	0.6
193.04997	0.4
195.02908	0.8
199.06052	0.6
205.05005	1.2
207.06557	0.9
207.13777	0.4
218.13913	0.9
223.06013	1.6
230.13828	2.1
240.50822	0.4
241.07024	2.3
248.14978	1.1
254.13898	1.8
255.14658	0.4
256.15469	0.5
259.08136	1.3
270.13345	0.9
272.12268	0.6
272.14899	10.1
273.07553	17.2
274.07831	0.6
274.14041	0.4
274.16443	2.0
288.14352	1.7
290.13467	1.2
290.15967	32.7
291.16193	0.5
295.05814	0.5
311.05890	0.3
321.07803	0.4
385.11526	0.4
400.19641	1.3
403.12186	0.5
418.20563	2.2
421.13669	1.0
436.21762	25.7
437.22223	1.0
544.21783	0.6
562.22784	4.1
641.28247	0.3
708.28485	100.0
709.28845	4.3
726.80121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01853	1.5
55.05495	2.5
57.03429	6.8
58.06585	1.3
61.02917	0.6
69.03419	2.7
69.49801	4.3
70.06589	3.8
71.01345	0.9
71.04987	33.3
72.08144	4.2
73.02911	0.8
75.04470	1.7
81.03403	3.3
81.04554	0.8
82.06566	2.1
83.04973	2.4
84.04498	2.0
84.08134	7.8
85.02896	40.7
85.61292	0.4
86.06058	13.6
86.09693	0.9
87.04472	1.6
91.05470	1.0
94.06564	4.0
95.04960	1.3
96.08131	0.7
97.02867	3.1
98.06065	1.3
98.09686	3.0
98.21394	1.1
99.04437	1.9
100.07601	1.2
101.05991	1.9
103.03932	0.7
107.04968	1.5
107.93625	0.6
108.04468	0.5
108.08080	0.8
109.02896	2.1
110.02361	0.9
110.06068	1.2
111.04446	1.6
112.07599	6.8
119.04915	2.8
121.02855	17.7
121.06512	0.7
123.04404	1.3
127.03909	6.7
128.07053	3.1
128.10701	2.7
129.05475	4.9
129.37688	0.5
130.08672	1.0
131.04936	0.8
133.06439	0.6
136.07544	0.9
138.05518	0.6
140.07042	0.6
144.10201	0.7
145.02840	1.0
145.04991	1.0
146.11736	1.1
147.04390	4.4
152.07040	0.8
159.04448	0.5
161.05894	0.9
163.03905	1.7
167.07013	2.4
169.09821	0.6
175.37143	0.5
177.05484	1.2
178.08710	2.8
179.03365	7.3
180.10188	1.2
187.03929	1.4
189.01802	1.2
191.03412	0.8
195.02946	1.6
199.03964	0.8
201.05414	1.3
203.03426	4.4
205.04994	1.5
207.02837	2.7
207.06522	1.1
208.09657	1.0
215.03429	2.1
217.04987	2.3
219.06544	1.0
221.04382	3.0
225.05589	0.7
227.03328	0.8
229.04903	3.2
231.06459	1.9
233.04417	1.2
235.06009	0.7
237.05598	0.5
239.07027	0.6
241.04973	0.6
243.03004	0.7
243.06476	1.2
245.04390	1.2
247.06075	1.1
253.04915	0.7
255.02930	0.7
255.06470	1.1
257.04462	2.6
267.06647	0.6
268.07141	0.7
269.04233	0.8
271.05893	1.1
273.04120	0.9
273.07501	0.5
279.06592	1.4
280.09772	0.5
281.04446	0.8
281.08136	0.8
283.05954	6.4
284.06775	0.9
285.07605	1.4
290.16022	3.5
291.06595	0.7
293.08002	1.4
294.05136	2.9
295.05984	32.9
296.06598	1.9
297.07578	5.0
299.05527	1.0
305.08112	2.9
307.06003	18.6
308.06717	3.7
309.07547	12.1
311.09021	0.9
313.07053	3.1
317.08096	1.7
319.09631	1.4
320.06656	1.1
321.07544	28.7
322.08212	1.8
323.09113	2.0
325.06998	22.7
325.10919	0.9
326.07349	0.7
329.08237	1.3
332.06720	0.7
333.07526	16.6
334.08133	0.6
335.05234	1.3
335.09113	13.6
337.07004	3.6
337.10483	0.8
339.08594	4.6
343.09521	0.7
345.07611	1.8
346.08353	1.1
347.05215	0.5
347.09116	13.8
349.07007	24.1
350.07889	1.5
351.08585	17.4
357.07803	1.1
359.08969	0.8
361.06955	5.7
361.10748	5.0
363.08566	24.6
365.10263	4.0
368.09515	1.4
371.09201	1.0
373.06937	4.9
373.10812	0.7
375.08557	28.0
376.11777	1.8
377.10220	1.4
379.07953	2.4
382.12741	1.7
387.08664	2.8
389.10144	7.5
391.08029	9.6
393.09613	21.6
393.14713	1.0
394.12970	5.2
399.08505	3.1
400.13968	0.9
401.10303	1.8
403.11804	3.7
405.09708	2.5
406.12888	9.7
409.09259	2.2
413.10068	1.6
415.10382	0.8
417.09641	20.8
423.10797	0.9
424.13861	44.5
425.14194	0.8
427.10428	2.0
429.09406	2.9
430.12698	1.4
431.11179	1.7
433.11151	1.6
435.10724	2.1
441.09570	2.7
442.15009	7.2
448.13895	23.3
453.11584	2.8
459.10431	2.9
460.13873	1.1
466.14896	1.7
472.13718	4.3
477.12042	0.9
478.14944	10.7
490.14862	11.3
495.12689	1.4
508.08347	0.6
508.16003	20.5
526.17035	100.0
527.17468	2.2
544.18097	25.9
552.18317	1.4
562.19263	3.1
568.17749	1.7
570.19489	4.2
586.19189	0.6
588.19922	0.7
599.69995	0.5
618.19586	0.8
636.20868	1.0
654.22101	3.5
672.22589	9.2
690.23779	23.3
708.23004	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	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.7
55.01864	6.9
55.05507	34.3
55.25138	2.5
57.03436	17.9
57.07069	4.0
59.16552	2.7
61.02911	4.2
65.03938	3.9
67.05499	74.9
68.70555	2.5
69.03426	19.8
69.07067	17.6
69.69933	21.8
71.04986	10.0
79.05482	52.2
81.03413	100.0
81.07051	77.9
83.04973	36.0
83.08610	24.3
85.02892	24.6
85.06534	3.4
91.05470	43.9
93.07035	57.6
95.04973	24.8
95.08602	59.9
97.02884	23.3
97.06529	8.3
97.10168	9.2
98.20836	3.8
99.04481	5.0
103.03871	3.3
105.07027	37.6
107.04948	8.5
107.08591	33.5
109.02875	8.7
109.06510	8.5
109.10161	25.2
111.04460	16.4
111.05132	2.5
111.08078	12.4
117.07028	9.4
119.08567	35.1
121.06531	3.8
121.10139	30.9
123.04427	14.8
123.08090	4.3
123.11716	8.9
125.09563	3.7
127.03917	9.9
128.29730	2.5
129.05486	15.1
129.06966	14.2
131.08563	21.0
133.10126	24.0
135.11722	13.4
137.13263	3.7
142.07787	4.6
143.08575	5.4
145.10132	11.6
147.08095	6.9
147.11690	23.8
149.05963	8.5
149.09602	6.2
149.13264	6.2
151.07591	5.0
153.12756	3.7
155.08540	5.9
157.10132	17.7
159.11685	10.1
161.13196	5.0
163.07578	9.6
163.11244	9.6
163.14836	3.7
165.12753	5.4
169.10138	3.1
171.11765	5.0
173.09613	3.5
173.13257	5.8
175.11183	10.6
181.12262	6.6
191.10666	6.2
193.12230	46.4
211.13286	67.8
227.12865	9.5
229.14375	7.8
243.20982	3.5
259.20905	3.4
261.22107	11.1
267.08990	4.6
267.15958	15.6
283.15417	8.0
285.11014	16.8
285.16791	21.5
301.16409	3.6
303.23080	3.1
335.25775	59.0
335.29785	3.6
337.27353	5.7
339.15952	8.9
351.23096	3.8
355.17709	4.1
369.24323	7.0
387.25104	3.6
429.21140	15.3
443.27753	3.8
461.29031	3.2
463.73065	3.4
479.30219	5.0
527.37158	12.0
545.38336	62.1
546.37885	3.6
653.40643	5.6
671.41089	6.5
689.42407	30.2
707.23633	3.1
707.40393	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41882	3.3
51.45506	2.9
53.03934	5.7
55.01865	8.8
55.05506	28.2
57.03441	14.3
60.41508	2.8
61.02925	4.3
65.03911	4.0
67.05502	94.0
69.03422	26.7
69.07070	21.8
69.69508	25.0
71.04983	13.1
79.05054	4.3
79.05489	54.7
81.03413	100.0
81.07054	80.2
83.04974	34.6
83.08620	26.8
85.02898	27.0
91.05476	50.4
92.05805	3.4
93.07044	71.0
94.41057	3.1
95.04965	35.8
95.08601	49.0
97.02885	28.2
97.06514	11.7
97.10138	5.7
99.04462	3.4
99.08099	4.6
105.07021	36.5
107.04951	6.6
107.08596	35.5
109.02859	9.5
109.06493	11.8
109.10158	25.8
111.04436	14.0
111.08063	14.2
117.06989	11.7
117.68774	2.7
119.08572	35.1
121.06501	7.1
121.10125	35.1
123.04428	20.0
123.08035	5.6
123.11694	12.4
125.06042	3.2
125.09569	4.4
127.03899	11.8
128.06223	5.5
129.05472	12.2
129.06978	13.5
131.08565	26.4
133.06477	6.4
133.10109	19.2
135.11688	22.3
137.09589	4.6
137.13176	2.9
143.08536	8.7
145.10118	14.0
147.04404	4.0
147.08035	6.7
147.11720	27.9
149.05934	7.9
149.09621	5.3
149.13275	4.8
151.11163	3.6
153.05470	5.8
153.12790	4.0
155.08498	4.8
157.10115	20.2
159.11697	8.4
161.13174	4.7
163.07526	10.8
163.11154	7.5
165.11380	3.1
165.12769	5.2
169.10109	5.2
171.08041	5.1
171.11676	6.5
173.09540	3.5
173.13165	4.4
175.11186	16.1
175.14850	3.7
181.10001	5.5
181.12209	8.3
183.09697	3.0
185.13148	5.0
191.10680	10.3
193.12224	48.2
203.10747	3.1
211.13269	66.3
217.12207	4.9
222.52734	3.5
227.12773	9.1
229.14354	5.7
261.22192	13.8
267.15945	11.8
283.15262	4.9
285.11111	14.6
285.16940	28.1
293.90045	3.4
301.16614	3.5
317.24695	3.6
324.11609	5.8
335.25803	63.7
337.27222	5.4
339.15964	8.1
351.23013	4.2
355.17606	4.2
369.24292	10.1
387.25262	7.1
415.06201	3.1
429.21292	9.6
443.27960	3.6
453.33090	3.8
461.28824	4.7
463.22400	5.6
463.72977	7.4
527.37054	15.7
545.38379	64.0
557.37012	3.8
569.37677	3.6
653.40143	7.1
671.41754	5.0
689.42865	26.8
707.42065	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01876	5.0
55.05509	32.4
57.03435	20.2
57.07069	10.8
59.04990	2.6
60.93320	2.4
61.02918	3.3
65.03925	2.5
67.05499	78.2
69.03426	24.3
69.07059	25.0
70.94534	2.4
70.94881	7.8
71.04990	10.4
73.02898	2.6
79.05487	50.2
81.03412	100.0
81.07052	77.1
82.38889	2.6
83.04977	32.0
83.08610	29.5
85.02898	22.8
85.06543	3.4
87.04466	53.5
87.90932	2.5
88.04797	4.3
91.05479	53.0
93.07037	48.4
95.04955	32.5
95.08603	44.1
97.02888	17.6
97.06524	10.0
97.10161	9.3
99.04478	5.4
105.07029	45.3
107.04942	9.1
107.08578	33.2
109.02854	13.9
109.06525	6.8
109.10144	25.7
111.04443	18.9
111.08076	13.9
113.09708	3.0
117.06989	14.6
119.08582	40.0
119.20224	2.9
121.06503	6.1
121.10133	24.6
122.50661	2.5
123.08086	5.2
123.11694	11.9
125.09624	5.7
127.03951	6.8
128.06215	3.0
129.05469	9.5
129.06984	15.6
129.55360	2.7
130.12160	2.6
131.08556	27.4
132.20963	2.3
133.06499	5.0
133.10135	24.1
135.08070	6.0
135.11742	17.5
135.12660	3.0
142.07745	3.8
143.08545	9.2
145.06517	3.7
145.10117	17.6
147.08105	6.7
147.11684	28.8
149.09608	10.3
149.13257	6.2
153.12770	7.0
155.08583	3.2
157.10147	16.2
159.08093	2.9
159.11697	11.6
161.05873	2.9
161.13242	7.2
163.11157	9.5
165.12709	4.5
169.10121	5.2
171.11703	7.4
173.13239	6.1
175.11214	16.0
176.54785	2.7
181.12254	6.3
183.11674	4.6
185.13362	6.4
191.10683	8.4
193.10516	2.6
193.12225	44.4
195.11652	2.5
197.13283	2.9
199.14859	3.5
211.13263	64.5
211.15190	3.3
227.12773	16.3
229.14236	5.5
259.20566	6.1
261.22217	9.7
267.15878	23.2
283.15555	6.3
285.16986	29.4
321.99246	2.7
335.25797	31.5
337.27228	5.1
351.23294	3.0
353.16071	3.1
369.24295	10.4
387.25262	7.6
405.26630	4.2
429.21304	12.9
443.28204	5.9
461.28860	7.0
479.30072	5.7
527.37482	14.8
545.38367	52.4
563.39520	3.1
611.39429	3.5
635.38824	3.6
653.40216	12.7
671.41528	9.4
689.42468	36.7
707.44275	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	707.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02212	0.3
55.57708	0.3
57.03424	0.6
69.03398	0.4
71.04978	0.2
71.61833	0.4
73.02851	0.3
81.03392	0.3
82.99880	1.3
85.02887	0.7
94.99851	0.6
97.02886	0.8
101.00861	2.6
109.02866	0.6
111.09329	0.2
113.00854	0.6
119.01911	12.1
122.01371	1.1
127.02401	0.8
131.01900	9.0
131.51990	1.3
137.01880	4.3
137.02937	1.9
137.51984	0.9
140.02393	0.3
142.03500	0.3
143.01880	13.7
143.51979	0.6
145.03459	7.2
146.02406	0.5
147.01367	1.0
147.04999	0.5
149.01869	0.9
149.02911	0.6
149.51984	0.3
152.02419	2.3
152.52502	0.7
155.01881	6.7
157.03442	4.0
158.02415	0.9
158.52492	0.3
161.02948	22.1
163.04482	1.3
164.02406	0.6
164.52489	0.3
167.01833	4.6
169.03432	1.9
171.05042	2.4
173.02953	21.1
173.53046	1.5
174.03099	0.6
175.03012	0.3
175.04520	1.9
179.01741	1.4
181.03453	0.4
182.03514	1.4
184.04506	0.7
185.02942	35.2
186.03073	0.9
187.04509	5.0
188.03462	0.7
189.06046	0.4
191.03998	1.4
193.03589	0.4
194.03450	1.0
194.70096	0.3
196.04570	0.6
197.02936	14.0
199.04507	0.7
203.03954	14.6
203.54051	0.8
205.05634	0.3
208.04562	0.9
209.02982	1.2
212.04462	0.6
215.03998	10.9
216.04279	0.2
221.03091	0.3
221.05141	1.2
224.04491	1.8
227.03987	8.6
227.06129	0.5
233.05135	0.6
238.05624	0.4
239.04066	0.9
243.01997	0.4
245.05054	100.0
246.05240	2.4
254.05531	1.6
257.05066	5.1
263.06122	13.7
264.06375	0.3
269.04977	0.3
275.06085	11.8
283.06586	0.6
283.56735	0.4
284.06638	7.3
284.56699	2.0
286.07700	0.8
287.05954	0.6
293.07178	4.3
305.07153	14.4
316.08627	0.3
317.07138	0.7
323.07910	0.3
335.08224	3.9
347.08264	1.4
364.09488	1.1
364.59467	0.9
365.09305	48.9
365.59552	2.1
366.09357	1.3
383.10315	4.3
401.11368	0.5
406.11932	0.8
407.10266	0.8
425.11383	52.6
425.64487	0.3
426.11584	1.6
437.11313	3.6
455.12372	3.8
485.13318	1.2
497.13202	0.3
503.53622	0.3
536.14673	0.4
655.94238	0.3
656.13538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.6
54.00600	1.8
55.00563	2.0
55.01853	6.3
55.05508	30.3
57.03433	17.3
57.07067	2.2
59.05012	2.0
61.02912	2.4
61.90675	1.7
62.47178	1.8
65.03913	4.3
65.19934	1.7
67.05495	78.2
69.03417	19.4
69.07054	20.6
71.01343	2.6
71.04980	8.7
71.08589	2.1
71.63081	2.6
72.84814	1.6
73.02893	2.3
74.27808	1.7
79.05057	3.6
79.05484	55.1
81.03410	100.0
81.06573	4.1
81.07048	78.1
83.04970	37.4
83.08615	26.6
85.02906	19.5
85.06504	4.3
87.60063	1.6
88.67467	1.8
91.05470	45.0
93.06462	4.0
93.07032	58.0
93.07617	4.1
95.04964	31.1
95.08595	51.8
95.43571	1.7
97.02877	21.2
97.06506	7.7
97.10154	7.2
99.04423	6.0
105.07011	36.8
107.04936	9.2
107.08587	32.4
109.02856	12.2
109.06500	7.6
109.10143	26.3
110.98051	1.9
111.04434	19.3
111.08081	13.2
113.05965	2.7
115.05466	2.9
117.07000	11.5
119.08566	28.1
121.06519	4.8
121.10137	30.0
123.04426	1.7
123.08060	4.7
123.11679	7.6
125.09615	4.5
127.03930	8.5
129.05450	6.6
129.06964	14.0
131.08557	24.0
133.06441	2.0
133.10110	21.9
135.08025	2.8
135.11673	16.5
137.09579	3.4
141.06903	2.0
143.08562	7.4
145.06503	4.0
145.10101	15.4
147.08034	4.2
147.11684	21.4
149.05893	2.7
149.09584	10.0
149.13243	6.4
153.12727	5.8
155.08574	4.0
157.10074	14.7
159.11652	7.9
161.09590	1.7
161.13231	7.4
163.11151	6.6
165.12718	3.8
169.10162	3.6
171.07986	2.5
171.11624	3.8
173.09569	4.2
173.13239	8.6
175.11133	13.8
175.14838	3.0
181.12231	8.2
183.11768	2.8
183.13776	2.0
185.09651	1.9
185.13232	4.6
191.10634	5.7
191.14230	2.8
193.12228	49.4
197.13194	2.7
205.15953	2.2
211.13252	75.4
227.12737	13.2
229.14302	6.0
229.75302	1.8
243.21065	3.8
249.14844	3.0
259.20544	2.3
261.22073	12.5
267.15915	14.7
279.22903	2.0
283.15158	2.5
285.16946	23.1
285.22089	1.9
301.21509	2.4
315.23224	2.5
317.24536	3.6
335.25766	58.8
337.16592	3.4
337.27325	6.5
345.24359	2.1
351.23047	4.3
355.17389	6.2
369.24097	6.6
387.25262	4.3
405.26276	3.3
429.21329	13.3
443.27625	2.7
461.28714	4.5
479.30276	3.3
527.37207	13.6
528.37677	2.0
545.30450	3.6
545.38324	61.5
546.38507	3.3
563.39087	3.3
589.09894	2.1
635.38818	2.6
639.40869	1.9
653.40350	7.6
671.41138	6.6
689.42566	28.9
707.43713	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	706.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87589	0.2
53.03938	0.5
55.01860	0.3
55.05508	1.0
56.05023	0.4
57.03426	2.1
58.06589	0.2
59.04984	0.4
61.02909	0.2
63.28081	0.2
67.01862	0.8
67.05499	0.5
68.05013	0.5
68.99786	0.3
69.03426	1.4
69.07062	0.3
69.13744	0.2
70.06585	9.0
71.01337	0.7
71.04986	12.8
71.62221	0.1
71.62616	0.3
72.08139	0.7
73.02900	0.8
75.04469	1.1
79.05493	0.5
81.03413	1.3
81.05780	0.3
81.07060	0.3
82.06561	0.4
83.04968	1.7
84.08137	6.0
85.02897	18.2
86.06062	0.3
86.09696	0.3
87.04454	0.7
91.05473	0.6
93.07044	0.3
94.06570	0.5
95.04955	0.4
95.08582	0.3
96.08120	7.4
97.02899	1.5
97.06490	0.2
98.09682	100.0
99.04438	0.8
99.10020	0.5
100.07552	0.3
101.06006	0.5
103.05466	0.2
105.07024	0.4
107.04948	0.7
107.08582	0.3
109.02861	0.8
109.10150	0.2
110.07152	0.6
111.04411	1.5
112.07579	0.4
114.09167	2.6
114.36492	0.2
119.04919	0.9
119.08598	0.2
120.08099	0.3
121.02872	0.4
121.06510	0.7
121.10159	0.3
123.04424	0.6
124.03963	0.6
125.02359	0.2
125.67207	0.2
127.03915	1.6
128.07094	0.2
129.01822	0.2
129.05464	2.1
130.08618	0.3
131.08519	0.2
133.06502	0.3
133.10095	0.3
136.07561	0.2
137.05948	0.3
138.05499	0.2
138.09109	0.2
139.03889	0.2
140.07079	0.4
142.08617	10.7
144.10179	20.2
144.62560	0.2
145.02821	0.3
145.04935	0.4
145.06371	0.2
146.11722	0.3
147.04398	3.3
147.06451	0.4
148.04718	0.2
151.03860	0.3
152.07082	0.2
153.01814	8.4
161.05965	0.2
163.03891	0.3
167.07040	1.6
171.02870	8.5
175.14763	0.3
177.05493	0.5
179.03386	0.5
182.11847	0.2
184.09685	0.2
186.11281	0.5
189.09958	0.2
191.03389	0.2
191.06993	0.2
193.08620	0.4
195.02946	0.4
202.10860	0.2
206.04457	0.2
207.06511	0.3
209.08295	0.2
212.29124	0.2
216.12346	0.3
224.12776	0.5
242.13858	1.1
246.13316	2.2
252.12274	3.1
254.13716	0.2
254.17484	0.4
255.06496	0.3
268.11780	0.2
270.13333	7.8
271.06009	0.7
272.14807	0.2
273.07513	4.6
282.10168	0.2
285.07468	0.2
288.14368	10.1
295.06052	0.2
300.47452	0.2
321.07492	0.3
337.07257	0.2
398.18021	2.4
399.92639	0.2
406.20828	0.6
412.14908	0.2
416.19107	8.1
417.19550	0.2
434.20169	13.8
457.84592	0.2
466.03339	0.2
478.16452	0.2
542.20227	1.7
560.21338	5.0
586.22211	0.2
706.26965	39.6
707.27783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24349	0.9
50.48280	1.1
53.03932	2.0
55.01860	1.5
55.05492	3.0
56.05012	1.0
57.03437	10.8
57.27463	1.0
58.06585	1.6
59.04976	1.4
61.02918	1.6
65.03927	1.2
67.05489	1.1
68.05026	1.2
69.03403	4.3
69.07059	1.2
70.06589	5.6
70.71413	0.9
71.01331	1.9
71.04990	51.1
71.08129	1.3
71.08459	1.8
72.08134	3.1
73.02888	2.8
75.04469	2.5
81.03400	3.7
81.07040	2.2
82.06574	5.9
83.04953	4.6
84.05775	0.9
84.07632	1.7
84.08138	29.2
85.02899	54.8
86.06054	2.3
87.04448	2.3
88.03978	4.0
91.05447	2.1
93.07050	1.9
95.04980	1.6
96.08089	1.7
97.02874	6.6
97.06497	1.4
98.06054	2.1
98.09685	8.2
99.04424	3.9
100.07619	2.5
103.03945	1.1
105.07027	1.5
109.02837	4.7
111.04456	2.6
112.07587	4.6
116.47179	1.0
119.04919	2.2
119.08588	1.0
121.02859	25.3
123.04385	1.7
124.07611	1.6
127.03070	1.4
127.03913	14.3
128.06203	1.8
128.07069	21.2
128.10707	1.0
129.05441	5.1
130.55460	1.0
134.06017	1.4
137.05956	1.8
138.05475	4.1
139.03864	1.4
142.08572	1.3
144.10170	3.8
145.02823	5.1
145.04909	1.9
147.04445	5.6
149.05910	1.2
152.07074	1.9
153.01714	1.2
161.05919	1.3
166.88770	1.0
167.07002	5.4
171.04398	1.5
173.05960	1.5
177.05522	1.5
179.03300	1.6
180.10187	2.0
181.04932	1.2
187.03841	1.1
189.05562	1.4
191.03264	1.4
199.03865	1.2
201.05482	1.8
203.03319	1.5
205.04797	1.3
207.02820	1.8
207.06392	1.8
208.09612	1.6
211.03885	1.2
217.05042	3.0
219.02975	1.3
219.06416	1.3
228.10138	1.3
229.04918	2.0
231.02971	1.4
242.08118	3.0
243.06403	2.5
271.05838	1.2
273.04114	2.0
283.05814	2.1
284.09216	1.8
288.14389	5.4
289.08813	1.5
290.16245	1.1
291.06442	1.4
291.09985	1.3
293.07996	1.7
294.05249	2.5
295.05936	14.6
296.06451	1.7
297.07574	2.4
304.07108	1.5
305.08115	5.0
307.05933	10.3
307.09613	6.1
308.06747	2.4
309.07486	10.4
311.09262	1.7
317.08121	5.8
319.05972	2.0
319.09549	3.2
320.06747	2.5
321.07532	11.6
322.08191	2.4
323.09055	10.2
325.06967	8.8
329.08038	6.0
331.09631	2.0
333.07486	7.9
334.08292	2.9
335.08920	14.1
337.06943	8.0
337.10425	2.6
339.08597	4.4
343.09692	1.8
345.07510	4.4
346.10709	1.6
347.09039	14.3
348.12289	4.0
349.06989	8.4
349.10654	3.1
351.08554	3.3
352.11633	1.1
353.10068	6.6
357.11020	1.5
359.09140	2.7
359.27191	1.4
360.12378	5.4
361.06931	5.9
361.10782	2.7
362.10223	2.1
363.08539	12.7
364.11679	4.4
365.10168	11.3
371.09109	2.5
373.06989	3.2
373.11005	1.4
375.08264	1.9
375.12411	2.0
376.11606	3.9
377.10107	3.9
378.13553	5.5
379.08304	4.9
387.08463	3.8
389.10193	8.2
391.07861	9.2
393.09387	1.5
394.07816	1.3
394.12854	23.2
396.14111	3.0
398.12372	4.1
401.10178	3.6
402.13165	3.0
403.11597	1.7
405.09534	3.4
406.12866	1.9
409.09250	7.9
409.14041	1.3
410.12329	11.2
413.09943	1.3
414.13318	1.2
415.07916	2.4
418.12769	6.7
419.11151	2.5
420.14276	2.4
422.12598	2.4
424.13702	1.7
427.10294	1.5
431.11044	2.0
432.14389	2.0
433.09039	4.0
440.13376	75.8
441.13501	3.3
444.14444	1.9
445.09998	1.2
447.11078	1.9
449.12189	1.9
450.15576	1.3
457.08786	2.2
460.13632	3.8
462.15500	2.0
464.07196	1.9
464.13370	19.1
470.14014	1.6
475.10321	2.3
476.13391	2.2
478.14856	8.2
480.16254	1.9
488.13416	1.9
493.11295	1.8
494.14185	5.1
496.15802	4.8
506.14233	5.5
524.15521	18.5
542.16553	100.0
543.16876	3.4
544.17615	1.3
560.17645	63.0
561.17456	2.9
586.19135	15.5
688.21912	10.0
706.22961	86.5
707.23273	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	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
54.20823	1.3
55.01868	8.5
55.05509	14.0
55.26385	1.2
57.03422	4.3
57.07060	4.1
59.04987	6.1
61.02908	5.0
65.03896	2.0
67.05502	22.5
69.03426	20.6
69.07066	22.7
70.06577	2.7
71.04977	4.8
71.62747	2.3
72.08157	2.8
73.02898	4.3
78.95814	1.6
79.05122	1.6
79.05495	17.9
81.03414	17.3
81.07057	35.2
82.03718	1.6
83.04971	6.0
83.08623	11.7
85.02902	26.7
85.06544	5.3
87.00799	7.6
87.04462	1.8
89.27328	1.2
91.03943	3.1
91.05479	14.0
93.07044	28.5
95.04956	5.7
95.08604	35.7
97.02885	14.0
97.06523	6.6
97.10136	2.6
99.04472	9.2
99.08067	1.7
103.07568	3.2
105.01853	3.9
105.07028	27.4
107.08592	53.5
109.02864	12.7
109.06516	8.8
109.10151	49.9
111.04382	1.8
111.08081	14.3
111.11697	2.1
117.01881	2.0
117.06998	4.8
119.04893	2.2
119.08581	33.8
121.06474	2.4
121.10136	27.9
123.04400	3.4
123.08048	5.3
123.11678	7.8
125.05915	1.4
125.09608	7.2
127.03909	21.6
127.07549	1.7
129.01788	1.8
129.06992	2.7
130.84805	1.3
131.04922	2.3
131.08546	10.8
133.06482	2.2
133.10121	27.8
135.08018	1.7
135.11688	24.2
137.05992	2.9
137.09615	7.1
137.13272	3.9
139.07530	2.6
139.11191	3.4
142.07774	2.1
143.08530	8.1
144.09375	1.5
145.04918	4.7
145.10127	16.4
147.04366	8.4
147.08015	1.7
147.11679	34.1
149.09612	3.4
149.13280	8.7
151.03882	2.1
151.07549	3.8
151.11154	3.1
156.09291	1.7
157.08688	1.7
157.10120	9.2
158.10864	1.8
159.02869	5.3
159.11714	19.6
161.05966	2.2
161.09604	2.3
161.13266	9.6
163.11205	3.3
163.14769	4.0
165.09123	2.7
165.12749	29.1
167.07057	10.3
167.14398	2.1
169.10069	2.6
171.11711	6.2
173.13239	11.7
175.11183	4.0
175.14825	7.2
177.12671	3.2
183.11696	4.6
185.13202	8.9
187.14799	10.9
189.12733	2.4
189.16365	5.8
191.17964	4.6
193.12210	12.2
193.15846	3.8
196.12357	1.8
197.13252	3.8
199.14835	7.6
201.16376	30.7
203.14349	3.1
203.17946	30.9
207.17517	1.8
209.13338	2.6
211.14806	4.3
213.16431	8.8
215.18005	4.7
216.51332	1.6
221.15372	2.5
225.16435	3.3
226.17172	2.9
227.17973	7.1
229.19366	1.7
231.17465	4.5
233.19052	2.7
241.19566	2.5
245.19046	2.6
249.16103	2.7
249.18478	25.6
251.17850	3.2
253.19560	3.7
255.21143	3.4
257.22534	4.9
267.16058	1.7
267.21112	4.4
269.22623	32.8
269.25565	2.2
279.21277	2.4
281.22534	1.7
285.07529	1.6
287.23700	11.3
293.22458	3.6
307.24185	2.1
311.05707	2.9
321.25589	1.8
322.78986	1.4
324.06323	6.6
325.06955	4.0
326.07513	1.8
328.05557	1.8
329.24750	1.9
339.08704	23.8
340.08954	2.0
343.08176	5.0
343.26248	1.7
357.09711	4.7
361.29099	2.1
399.14130	3.8
403.28421	2.8
403.33563	36.7
413.15903	17.9
421.34650	100.0
422.35132	2.2
433.64197	1.5
439.35751	26.6
457.21198	1.7
457.29626	1.8
457.36725	3.4
467.62973	1.6
543.33240	3.8
543.84222	1.6
705.41620	3.2
717.59174	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01877	1.0
55.05473	0.6
57.03432	1.4
59.04987	0.2
61.02925	1.3
67.05504	1.0
68.99784	1.0
69.03428	8.8
69.07051	1.0
70.06567	0.5
71.01326	0.4
71.04980	0.9
71.62914	0.3
72.08109	0.5
73.02920	1.3
79.05447	0.8
80.74429	0.2
81.03413	6.4
81.07054	1.3
83.01318	0.2
83.04938	0.6
83.08596	0.3
84.04465	0.2
84.08111	0.3
85.02901	12.8
85.06503	0.5
86.09657	0.3
87.00822	3.3
87.04417	0.4
91.03902	0.4
91.05479	1.9
93.07040	0.9
95.04924	0.7
95.08598	1.5
96.05738	0.2
96.08092	0.2
96.39389	0.2
97.02882	4.8
97.06489	0.2
97.10094	0.2
99.04447	2.5
99.08025	0.2
100.07574	0.2
101.02325	0.4
102.05611	0.2
103.03928	0.9
103.05502	0.2
105.01875	1.9
105.03384	0.2
105.07035	1.0
107.04926	0.4
107.08596	1.0
109.02879	5.4
109.06487	0.4
109.10159	0.9
111.04408	0.3
111.07074	0.2
111.08002	0.2
115.03873	0.4
115.69855	0.2
117.01842	0.4
117.03373	0.3
117.06936	0.2
119.04942	0.9
119.08568	0.9
121.02809	0.5
121.06484	0.4
121.10085	0.6
123.04370	0.5
123.08013	0.5
123.11665	0.3
125.02254	0.2
125.05942	0.7
127.03909	9.2
129.01794	0.7
131.04822	0.3
133.10129	0.9
134.03616	0.3
135.07970	0.3
135.11658	0.5
137.02269	0.2
137.05934	0.6
137.09576	0.2
139.07492	0.3
141.05383	0.3
145.02803	0.3
145.04898	1.9
145.06087	0.3
145.06451	0.3
145.10118	0.4
147.02943	0.4
147.04352	2.9
147.11646	0.5
149.05893	0.4
149.13229	0.4
151.03864	0.8
151.07520	0.5
153.01753	0.2
153.05452	0.4
157.10063	0.2
159.02879	1.7
159.11713	0.3
161.05893	0.3
161.09578	0.2
161.13200	0.3
163.03912	0.5
163.07384	0.2
163.11119	0.3
165.05492	1.0
165.06682	0.2
165.09111	0.2
167.07083	1.2
168.01645	0.2
171.02959	0.2
175.03870	0.8
175.07404	0.3
177.05438	0.5
177.08992	0.2
177.12715	0.2
179.03281	0.2
181.04955	0.3
181.08530	0.3
187.05936	0.3
187.07478	0.2
189.09039	0.3
191.03340	1.2
191.10603	0.3
195.08104	0.3
199.14870	0.2
203.14310	0.2
207.06503	0.4
208.06787	0.2
209.04446	1.4
213.03873	0.3
223.07507	0.3
225.05414	0.2
231.04874	0.6
251.07056	0.4
253.04959	0.3
255.06467	0.5
265.08636	0.2
267.06451	1.2
268.07254	0.7
271.06082	0.2
279.06558	0.4
281.07709	0.3
283.09598	0.2
293.07837	0.4
294.08835	0.2
295.05994	1.7
296.06824	1.8
297.07428	0.3
306.05203	0.7
307.05997	0.2
308.06647	0.3
309.07590	2.2
311.05685	0.3
311.09109	1.5
312.06244	0.2
313.06946	0.3
320.06720	0.2
321.07623	1.7
323.05502	1.3
323.09094	0.4
324.06265	28.7
325.06927	2.2
327.08600	2.0
328.08759	0.2
335.09116	0.4
337.07053	2.0
337.10687	0.3
338.07755	0.3
339.08609	100.0
340.08914	3.1
345.09659	3.7
351.08707	0.2
355.07864	0.2
357.09662	36.1
358.09836	1.3
363.08511	0.4
363.12311	3.7
367.11740	0.3
381.09473	1.9
381.13312	7.9
382.13486	0.3
393.13336	0.3
399.10510	0.2
403.28336	0.3
405.09509	0.4
411.14471	0.8
421.29459	0.7
426.41870	0.2
439.11469	0.3
439.17499	6.1
440.18073	0.4
453.15607	0.2
457.18570	37.0
458.18872	1.6
483.13007	0.2
501.14014	0.3
519.15082	0.9
525.14233	0.2
543.18823	2.9
561.16083	1.7
587.13928	2.0
605.14978	9.5
619.23602	0.9
687.22382	0.9
705.23749	2.9
705.36804	0.5
706.24072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01833	0.6
55.05504	1.1
57.03426	0.9
58.72174	0.2
61.02884	0.7
67.05480	0.7
68.99760	0.2
69.03424	6.2
69.07021	0.4
70.75883	0.2
71.01344	0.2
71.04990	1.4
73.02914	1.4
79.05447	0.4
81.03412	6.5
81.07004	0.7
83.04986	1.4
83.08572	0.2
85.02895	11.5
85.61886	0.1
86.03195	0.2
87.00787	0.4
87.04446	0.2
91.04955	0.1
91.05464	1.1
93.07001	0.6
95.04929	0.5
95.08553	0.7
97.02880	6.0
99.04449	9.4
101.02380	0.2
103.03934	5.1
105.06979	0.5
107.04900	0.3
107.08543	0.5
109.02868	8.5
109.10104	0.4
110.03172	0.2
115.03864	0.4
119.04933	0.7
119.08485	0.5
121.06461	0.2
121.10072	0.2
123.04408	1.0
123.11693	0.2
127.03904	14.1
129.06949	0.2
131.04889	0.2
133.10059	0.5
135.04370	0.3
135.07953	0.2
135.11632	0.2
137.02292	0.7
137.05904	0.3
141.05450	0.4
145.04939	4.1
145.10063	0.2
147.04395	2.4
147.11664	0.4
149.05928	0.3
149.09456	0.2
151.03873	0.4
151.07561	0.2
158.10608	0.2
159.02899	0.2
159.11603	0.2
161.05995	0.2
163.03885	0.4
163.05977	0.5
163.07417	0.2
165.05466	1.2
167.06996	0.6
167.08548	0.4
169.04990	0.2
171.11641	0.2
173.05923	0.2
173.62987	0.1
175.03860	0.3
181.04921	0.2
187.03961	0.1
187.05988	1.3
187.14864	0.2
191.03386	2.0
195.08006	0.4
199.05899	0.2
201.05367	0.2
201.16341	0.2
205.06821	0.4
207.06476	0.2
209.04417	1.6
213.09140	0.2
223.07515	0.5
227.09180	0.2
241.08609	0.4
251.06920	0.5
255.06502	0.2
265.23096	0.2
267.06293	0.2
269.08148	0.8
271.05896	0.4
271.08151	0.5
279.06482	0.5
282.05115	0.5
289.09268	0.2
295.05954	0.5
296.06656	0.2
297.07516	2.8
307.06055	1.2
308.06436	0.2
309.07568	0.3
310.04666	3.1
311.05237	0.4
313.07019	0.8
322.08508	0.2
324.06268	2.0
325.07019	100.0
326.03665	0.3
326.07361	4.2
328.05673	0.2
331.08099	1.0
337.07123	0.2
339.08609	2.0
343.08090	16.0
344.08426	0.6
349.06876	0.3
350.07843	0.9
351.08209	0.2
365.10132	2.1
366.10309	0.2
367.08081	1.3
381.13321	5.8
382.13498	0.2
383.11160	3.2
395.14807	0.5
399.14340	55.7
400.14661	2.3
401.12225	1.0
413.16046	0.3
421.16446	0.5
439.17441	1.7
439.32101	0.2
451.10446	0.2
457.18549	4.9
458.18561	0.4
465.97165	0.2
469.11548	0.4
487.12259	0.9
505.12854	0.3
543.18634	1.0
561.19653	2.7
569.16541	0.2
587.17181	0.5
613.15649	0.6
629.18237	0.3
631.16473	1.7
643.23682	1.8
649.17462	1.9
651.20581	0.2
669.21765	2.3
687.22913	2.6
705.23694	4.1
705.35706	0.3
706.24261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	1.1
55.01830	1.1
55.05467	0.8
57.03391	2.8
57.03697	0.5
59.04981	0.4
60.86121	0.3
61.02925	3.2
65.03910	0.5
67.05493	1.7
69.03426	11.9
69.03783	0.4
69.07013	1.2
69.07345	0.2
69.35468	1.7
69.35892	1.2
70.06575	1.5
71.01331	0.4
71.04991	2.6
72.08099	1.2
73.02907	2.1
79.05428	1.2
79.05841	0.3
81.03412	5.1
81.07058	2.8
83.01316	0.5
83.04921	0.9
84.08102	0.6
85.02900	23.3
85.06509	0.8
86.09642	0.9
87.04466	2.2
89.06026	5.3
91.03935	0.6
91.05457	1.7
93.07057	1.5
94.06565	0.3
95.04906	1.0
95.08610	2.0
97.02888	10.4
97.06481	0.8
98.21463	0.4
99.04446	2.9
101.02355	0.7
103.03903	0.7
103.05436	0.3
105.07032	1.5
107.04958	1.4
107.08608	1.6
109.02872	4.7
109.06474	0.5
109.10171	1.3
110.10493	0.3
111.04424	0.7
115.03884	0.6
119.04926	1.9
119.08521	0.9
121.02846	1.5
121.06454	0.8
121.10091	1.2
123.04344	0.5
123.07996	0.3
123.11663	0.7
125.05934	0.3
125.09573	0.5
127.03913	8.9
129.06976	0.6
131.04869	1.2
131.08525	0.7
133.02803	0.5
133.06416	0.6
133.10069	0.8
135.08012	0.5
135.11653	0.8
136.07510	0.3
137.02287	0.4
137.05930	1.1
141.10643	0.3
143.08531	0.3
145.02766	0.8
145.04926	2.8
145.06425	0.4
145.09996	0.7
147.04401	4.7
147.11641	0.6
148.04681	0.7
149.09570	0.5
149.13203	0.4
151.03839	1.2
151.07475	0.8
155.08481	0.4
157.06500	0.4
157.10176	0.3
159.08028	0.3
159.11617	0.8
161.05945	1.1
161.13121	0.4
163.03813	0.7
163.11142	0.3
163.14894	0.3
164.07031	0.4
165.09035	0.5
167.07051	3.3
167.08461	0.6
169.06401	0.4
171.04390	0.3
171.07991	0.6
173.13206	0.3
175.03906	0.5
175.07491	0.4
175.14796	0.3
177.05440	1.4
177.12804	0.3
179.06906	0.5
183.08063	0.3
187.03915	0.5
189.09047	0.3
189.16418	0.3
191.03372	0.6
191.10667	0.4
193.08571	0.4
195.02881	0.8
195.07993	0.8
195.09961	0.3
199.07462	0.7
201.05365	0.4
203.03386	0.4
207.06480	0.5
211.07483	0.4
213.05417	0.4
223.07549	0.4
225.05458	0.3
227.07008	0.7
231.08035	0.4
234.44765	0.3
239.06903	0.4
241.04636	0.3
247.07410	0.3
255.06531	0.8
256.08762	0.3
265.08466	0.7
267.06332	0.4
271.06021	0.7
271.11008	0.5
274.10175	0.6
277.08551	0.5
280.07346	0.4
281.07935	0.5
283.06024	0.9
289.08676	0.3
289.12024	0.5
291.06448	0.3
293.04703	0.6
293.08032	3.2
295.06110	0.4
296.06595	0.7
297.07526	1.2
302.09378	0.6
303.10135	0.8
305.08044	0.7
306.08948	0.5
307.06088	0.3
307.09695	0.9
309.07547	27.7
310.07858	0.7
311.05490	9.7
312.05948	0.5
313.06802	0.5
317.11630	1.1
319.09601	1.1
320.06555	0.5
321.07639	8.0
321.11130	1.6
323.09085	1.1
324.06244	5.9
325.07062	0.8
327.09659	0.7
330.08829	0.3
333.07663	2.0
334.08389	2.1
335.09061	2.9
335.12918	1.1
338.07712	0.4
339.08609	12.2
340.08853	0.7
345.11206	13.7
346.11517	0.9
347.09015	2.2
348.09882	4.3
349.10892	0.5
351.08469	1.1
353.10229	0.5
357.09668	4.6
361.10751	0.4
362.11377	0.5
363.12241	79.3
364.09174	0.3
364.12735	2.2
367.11673	0.9
373.10419	0.3
376.09399	2.1
377.10022	0.4
379.11755	0.8
380.12369	0.3
381.13309	100.0
382.13593	3.6
387.12408	1.0
391.11847	3.7
394.10406	0.3
399.14505	0.4
405.13354	4.0
409.12784	4.3
421.29486	0.4
423.14398	3.4
427.13867	27.0
428.14304	1.3
429.13660	0.5
439.30197	0.4
447.14355	0.7
473.10889	0.8
525.17548	15.6
526.18304	0.9
529.17175	1.2
543.18604	81.9
544.19061	3.9
585.19806	0.4
649.13330	0.7
705.22449	2.4
705.37201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
53.04160	0.3
55.01829	0.8
55.05486	0.4
57.03434	1.4
61.02918	1.1
67.05459	0.2
68.99768	0.9
69.03425	9.9
69.07013	0.2
69.31609	2.1
70.06550	0.2
71.01303	0.2
71.04997	1.2
73.02914	1.7
78.04673	0.2
79.05462	0.2
81.03415	7.7
81.07022	0.6
83.01285	0.3
83.04956	0.2
85.02900	12.0
87.00825	4.3
87.04419	0.5
89.03884	0.3
91.03918	0.3
91.05445	0.4
93.07035	0.4
95.08547	0.6
96.08088	0.2
97.02890	4.2
98.20644	0.3
99.04450	2.5
101.02345	0.3
103.03938	0.9
105.01852	1.9
105.06989	0.3
107.08576	0.3
109.02875	6.1
109.10123	0.4
115.03918	0.3
117.01817	0.4
117.03320	0.8
119.04880	0.3
119.08566	0.4
121.06447	0.3
127.03908	9.5
129.01807	0.9
134.03584	0.8
137.05949	0.4
145.04936	2.1
145.10088	0.3
147.02867	0.3
147.04340	0.7
147.11658	0.2
149.05907	0.3
151.03853	0.4
153.06944	0.2
159.02878	1.8
163.03827	0.2
165.05455	0.2
167.06978	0.6
171.04425	0.2
175.03886	0.4
187.05988	0.5
189.03960	0.2
195.02933	1.1
209.06050	0.3
213.03831	0.4
217.04933	0.4
226.06282	0.3
231.04910	1.0
237.05475	0.2
240.07964	0.2
251.07074	0.4
253.04921	1.4
254.05777	0.6
265.04913	0.5
265.08685	0.2
267.06387	0.2
269.08066	0.3
279.06570	0.4
280.07028	0.2
281.01419	0.2
281.04572	0.2
282.05075	1.0
283.05991	0.5
293.04416	0.9
293.08014	1.0
294.05008	0.3
295.06100	0.9
296.06705	0.5
297.07654	0.3
298.04837	0.4
307.05984	0.6
309.04037	0.4
309.07562	1.3
310.04697	22.4
311.05310	1.1
313.07031	1.6
321.07547	0.3
322.08325	1.0
323.05472	1.0
323.09113	0.6
324.06229	4.4
325.07034	100.0
326.07407	3.1
327.08432	0.2
332.06799	0.5
337.06970	0.6
337.10703	0.6
339.08597	9.9
340.08926	0.3
347.09192	0.7
349.07019	0.6
350.03461	0.4
350.07797	7.2
351.08340	0.4
363.08560	0.5
365.10181	16.5
366.10489	0.6
367.08069	2.4
368.08975	0.5
381.13321	7.2
383.11215	32.6
384.11465	0.8
391.07883	0.5
395.14819	2.2
401.12305	10.0
402.12759	0.3
407.11240	0.7
421.16412	4.5
422.16507	0.4
425.12302	0.6
439.17523	16.6
440.17798	0.6
457.18555	37.2
458.18842	1.3
469.11102	0.2
499.19180	0.2
545.16418	0.4
563.17670	0.4
573.12115	0.5
585.19495	0.4
587.17712	0.9
601.22797	1.3
605.18188	0.3
613.15442	0.5
619.23944	1.7
629.18848	1.2
631.16492	4.7
632.16626	0.3
643.23944	0.9
649.17578	3.8
669.21399	1.4
687.22638	1.9
705.23792	5.7
706.23804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01866	0.2
55.05490	0.4
56.05001	0.2
57.03415	0.3
58.24143	0.2
59.82329	0.2
65.03928	0.4
65.13492	0.2
65.62756	0.2
67.05492	0.9
69.03419	0.8
69.07055	0.9
70.06579	0.7
70.87945	0.4
71.04975	0.4
72.08160	0.3
79.04192	0.2
79.05478	0.5
81.03397	0.7
81.07064	1.2
83.04967	0.4
83.08630	0.3
83.25237	0.2
84.08138	0.4
85.02903	1.2
85.06548	0.4
86.09705	0.3
91.05483	0.9
93.05788	0.3
93.07048	1.0
94.06559	8.6
95.04932	0.4
95.08582	0.8
96.04470	0.6
97.02879	1.1
97.06533	0.4
97.10167	0.3
98.06022	0.2
99.04453	0.4
105.03406	0.2
105.07044	0.4
107.04942	0.3
107.08582	0.7
109.02868	0.7
109.06519	0.3
109.10158	1.0
110.06021	2.9
111.04428	0.3
117.06969	0.3
118.98057	0.2
119.04923	0.5
119.08564	0.7
120.08085	0.3
121.10117	0.5
123.04407	0.6
123.08025	0.5
123.11731	0.3
125.05980	0.3
127.03903	1.1
128.06168	0.2
129.88937	0.2
131.08572	0.2
133.10117	0.4
135.08032	0.4
135.11659	0.3
137.02338	0.3
137.05946	0.2
137.09573	0.2
138.05489	48.0
139.05814	0.3
143.08560	0.2
144.08073	0.3
145.08899	0.4
145.10106	0.5
147.04424	1.0
147.11702	0.3
149.05992	0.2
149.09569	0.3
149.13295	0.2
151.03918	0.2
151.11157	0.2
157.08936	0.2
159.11679	0.4
161.09570	0.2
162.05495	0.3
163.06299	0.2
163.07536	0.3
167.07034	0.9
167.08269	0.2
171.11769	0.2
173.09631	0.2
173.13200	0.3
175.11067	0.3
175.79333	0.2
177.05469	0.5
189.05508	0.2
189.07707	0.2
191.14407	0.2
202.06830	0.2
203.07251	0.2
207.06606	0.2
211.07661	0.2
213.05533	0.2
215.03438	0.6
215.10663	0.2
225.09190	0.3
238.45599	0.2
239.07004	0.4
251.07053	0.2
253.08565	0.2
255.10127	0.3
271.05762	0.3
285.07623	0.2
287.10669	0.3
293.07809	0.3
295.06021	0.2
301.23105	0.2
305.08139	0.5
307.06213	0.3
311.05450	0.7
312.05643	0.3
321.07718	0.3
322.94788	0.2
324.06183	0.2
325.07156	0.5
333.07489	0.3
335.09122	0.2
337.07047	0.6
344.12784	0.3
347.09158	1.1
349.07043	1.8
349.10635	0.3
350.07437	0.3
350.11386	0.2
361.10690	0.4
365.10275	0.4
366.10818	0.2
376.12823	0.6
377.13873	0.3
379.11774	0.3
387.12192	0.4
393.13239	0.3
395.11581	0.2
396.11984	0.3
398.11136	0.2
404.12521	3.9
404.17413	0.3
405.13303	41.4
406.13779	0.8
410.10062	0.5
412.07806	0.3
424.11484	0.9
426.09680	0.5
427.10349	2.2
427.15414	0.3
428.11502	0.4
429.13358	1.6
437.32803	0.3
438.15668	0.3
438.32715	0.3
439.15369	0.4
440.11359	0.9
442.12885	1.7
452.15411	0.3
454.16531	0.3
455.15073	0.7
464.15063	0.4
465.15610	0.7
467.14697	2.8
468.10684	0.3
468.18060	0.5
478.16486	0.4
479.17252	1.0
480.18588	1.1
481.15073	0.9
483.14615	0.6
485.11096	0.4
486.11835	1.9
487.12939	0.2
495.16766	1.3
496.17523	11.6
497.18008	0.6
498.19177	2.7
509.14166	0.2
512.12701	0.3
524.17169	1.6
541.17297	11.0
542.18060	38.7
543.18744	1.0
546.17053	0.3
567.18311	0.5
658.22705	0.5
704.23273	100.0
705.23505	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	705.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98714	0.2
53.03910	1.5
55.01834	0.6
55.05480	0.8
57.03429	1.2
59.04961	0.3
60.05616	0.2
61.02883	0.8
64.82904	0.2
67.05489	1.5
69.03426	4.9
69.07024	0.6
69.96222	0.9
70.06561	0.4
71.05001	1.2
73.02878	0.8
79.05452	0.8
81.03408	6.0
81.07050	1.5
83.04944	0.8
83.08587	0.4
85.02899	10.3
85.06475	0.3
87.04411	0.4
91.03917	0.3
91.05470	1.0
93.07027	1.1
95.04919	0.7
95.08603	1.3
97.02885	6.3
97.10120	0.5
98.20859	0.3
99.04445	7.1
99.08097	0.2
103.03319	0.4
103.03935	6.6
103.05421	0.2
105.06989	0.9
107.04910	0.6
107.08575	1.3
109.02868	5.3
109.06473	0.3
109.10172	1.5
111.04398	0.3
115.03887	0.4
119.04928	0.2
119.08552	1.1
121.06456	0.3
121.10100	0.6
123.04411	0.7
123.08012	0.2
123.11724	0.3
125.09544	0.3
127.03911	13.6
129.06906	0.2
131.04884	0.3
131.08556	0.4
133.02837	0.4
133.10083	0.7
134.03598	0.4
135.08028	0.3
135.11671	0.5
137.05917	0.7
137.09525	0.3
143.08517	0.2
145.04944	5.3
145.10098	0.4
147.04384	0.7
147.11610	0.5
148.05145	0.9
149.05942	0.7
149.09555	0.3
149.13211	0.3
151.03897	0.4
151.07462	0.2
159.04390	1.4
159.11644	0.4
161.05998	0.4
161.13197	0.4
163.06027	1.4
163.07292	0.4
163.11157	0.4
167.03430	0.3
167.06979	0.7
169.04976	0.2
171.11568	0.3
173.04402	0.3
173.05919	0.4
175.03865	0.3
175.11220	0.2
184.05168	0.5
185.06010	0.2
185.56494	0.2
187.05978	0.9
187.07431	0.3
199.07527	0.2
201.05428	0.4
203.10649	0.5
205.04933	0.3
205.08606	0.2
207.02826	0.2
213.05472	0.3
213.09113	0.3
215.07021	0.3
227.06938	0.3
229.04918	0.7
229.14244	0.2
243.06410	0.5
244.07298	1.8
253.04962	0.3
254.05614	0.3
255.06497	0.4
257.04440	0.6
264.43558	0.3
269.04462	0.4
271.05969	0.6
271.08322	0.5
272.06674	0.9
282.05222	0.4
283.06076	0.6
285.03976	1.1
285.07028	0.2
289.09277	0.2
295.05817	0.4
297.07443	0.2
299.05457	1.6
300.06308	2.9
301.07162	0.2
309.07489	0.2
310.04727	1.9
311.05408	1.2
313.03418	4.5
313.06949	0.4
315.04788	0.6
315.08429	0.5
325.06903	0.6
327.04865	1.7
327.08194	0.3
328.05740	37.2
329.06274	1.6
337.06860	0.4
337.10547	0.3
339.08661	0.7
341.06430	0.7
343.08087	99.9
344.08414	2.9
347.08890	0.2
365.09976	0.4
366.10086	0.3
379.11865	0.4
380.12042	0.3
381.12347	0.5
397.12708	0.8
398.13370	1.0
399.14334	100.0
400.14688	3.0
413.15814	0.3
439.35794	2.1
457.36514	0.4
682.90314	0.3
687.23987	0.2
705.18115	0.2
705.43005	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	701.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44631	0.2
67.05519	0.5
69.07070	0.3
70.76438	0.7
72.08155	0.2
75.56075	0.2
79.05502	0.3
81.07059	0.6
93.07048	0.4
94.69559	0.2
95.08605	0.4
109.06472	0.2
119.08583	0.3
121.80046	0.2
136.14465	0.2
149.02339	0.3
185.04210	0.6
188.40941	0.2
203.05219	1.4
259.07892	1.4
305.08347	0.3
321.22742	0.3
333.17514	0.2
347.09439	1.6
350.37970	0.2
351.18124	0.3
361.17102	0.2
365.10501	3.6
377.26855	0.2
405.14639	0.2
421.13098	1.2
539.31885	22.3
540.32239	0.8
542.45111	0.2
614.24103	0.3
701.37109	100.0
702.37549	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	701.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	2.8
55.01862	2.2
55.05466	1.9
57.03436	2.8
57.07044	0.9
59.04968	0.6
61.02927	2.7
65.03913	0.5
67.05503	4.8
68.99747	1.7
69.03425	18.1
69.07067	3.2
69.08523	0.4
69.83664	2.7
70.06539	1.7
71.01309	0.8
71.04943	1.9
72.08134	0.7
73.02900	2.6
78.67339	0.4
79.05496	2.3
81.03411	14.4
81.07052	5.6
83.01323	0.6
83.04933	1.2
83.08569	1.4
84.04469	0.5
84.08102	0.8
85.02898	22.5
85.06500	1.8
86.09680	0.8
87.00828	6.1
87.04429	0.8
89.03895	0.5
91.03907	0.7
91.05487	2.4
93.07034	5.8
94.00192	0.4
95.04922	1.6
95.08599	7.4
97.02892	9.4
97.06483	1.0
97.10129	0.9
97.28334	0.4
98.20835	0.8
99.04452	4.3
101.02329	0.6
103.03939	2.1
105.01860	3.3
105.06963	1.8
105.27011	0.4
107.04925	0.5
107.08572	3.1
109.02876	10.9
109.06480	1.0
109.09554	0.4
109.10139	3.9
111.08069	2.3
115.03887	0.6
115.05441	0.5
117.01815	0.8
117.03351	1.1
117.06953	0.7
119.04893	1.0
119.08535	1.5
121.06501	1.0
121.10159	2.0
123.04318	0.8
123.08034	0.9
123.11629	1.6
125.09567	0.8
127.03904	16.5
127.07525	0.6
128.06195	0.5
129.01785	1.5
129.06966	0.8
131.04851	0.4
131.08498	1.2
133.10085	1.3
134.03590	2.7
135.07997	0.6
135.11690	2.0
137.05928	1.3
137.09572	1.1
137.13228	0.7
139.07538	2.2
145.04895	3.7
145.06090	0.7
145.10057	1.0
147.02853	1.1
147.04349	1.6
147.11566	0.6
149.09576	0.8
149.13196	0.8
151.03850	0.8
151.07547	0.5
151.11110	1.5
153.09047	1.8
157.08598	0.9
159.02901	3.5
159.04176	0.7
159.11650	0.8
161.13170	0.6
163.07469	0.5
163.11089	0.7
165.09032	0.5
167.06993	1.5
167.10687	0.8
171.11656	0.5
173.13248	0.8
175.07498	0.9
177.05345	1.0
179.10684	0.5
181.06442	0.5
181.12286	1.0
181.49835	0.4
187.05901	0.6
189.05402	1.3
189.12703	0.5
191.10638	0.5
191.17926	0.5
193.12204	0.8
195.02847	1.8
195.13721	1.2
202.06325	0.7
205.12166	0.6
207.13803	1.5
209.06194	0.5
213.05510	0.9
231.04904	1.4
241.08481	0.4
245.09512	0.7
247.07454	0.8
253.04875	1.3
254.05777	0.7
261.09067	0.5
263.19943	0.5
265.04849	0.5
269.07898	0.5
273.09021	0.6
281.08258	0.5
282.05270	1.0
283.05991	0.7
289.08536	1.4
290.09415	0.6
293.04388	0.9
293.07788	0.6
295.05923	0.6
296.06757	0.5
298.04681	0.8
299.05447	0.6
301.08655	1.3
307.06158	1.0
307.09583	1.0
308.10315	0.8
309.04071	0.9
309.07629	1.1
310.04697	28.0
311.05435	2.1
313.06964	1.8
317.07956	0.5
318.08832	1.7
319.09488	0.8
321.07523	0.9
322.04611	0.7
323.05640	2.2
323.08948	0.6
323.12726	1.4
324.06290	1.1
325.07031	100.0
326.07489	1.3
327.04904	1.5
329.06458	2.8
331.09579	0.5
333.11328	3.0
335.09045	0.9
336.06030	0.5
336.09830	0.9
337.07022	2.1
337.10748	1.5
338.07678	0.5
339.08737	2.4
341.06735	0.7
345.07364	1.0
346.08313	6.1
347.09128	1.0
349.07065	1.9
349.10876	0.8
351.12241	5.3
353.06491	0.5
353.10220	0.9
361.10669	17.2
363.08630	1.3
363.12518	0.5
364.09433	8.3
365.10284	2.3
367.07983	2.5
367.11783	4.9
377.10165	1.4
378.10803	0.8
379.11740	41.4
380.12195	0.7
381.09409	1.0
381.13391	4.4
393.13370	1.4
397.12799	60.8
398.13086	1.1
403.11673	0.6
409.13232	0.7
411.14090	1.6
417.33905	5.1
419.14932	0.6
421.12723	1.4
423.17957	1.3
435.18195	8.5
435.28546	0.7
435.34683	15.0
453.19061	85.2
453.35867	8.3
454.19269	1.9
465.15579	1.0
495.20090	0.7
503.20468	1.0
521.21808	1.5
539.22516	3.7
559.18213	0.7
566.57733	0.5
583.18243	0.6
601.19281	1.8
615.24121	2.0
627.17352	1.3
645.17950	9.5
657.24695	0.6
683.26141	3.0
683.38525	0.7
701.24609	6.0
701.37280	0.9
705.28925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01835	1.3
57.03435	1.9
61.02923	2.6
65.03909	0.6
67.05455	1.4
68.99747	1.1
69.03427	13.7
69.07023	0.8
70.06565	0.8
70.71906	0.3
71.04955	1.1
72.08098	0.5
73.02908	2.1
74.57341	0.3
75.49029	0.3
79.05466	0.4
81.03416	10.3
81.07013	1.0
84.08128	0.4
85.02896	15.8
85.06512	0.6
86.09669	0.6
87.00828	5.4
87.04414	0.7
91.03916	1.1
91.05448	0.7
93.06999	0.5
95.04939	0.7
95.08584	0.5
97.02890	5.5
98.20695	0.9
99.04446	3.5
101.02364	0.4
103.03898	1.0
105.01856	3.3
107.08572	0.5
109.02874	7.8
109.10124	0.6
109.99494	0.4
115.03918	0.5
117.01816	0.6
117.03354	0.7
117.06987	0.5
125.02295	0.4
127.03914	11.2
129.01810	1.2
133.10059	0.5
134.03621	1.3
137.05916	0.4
145.04083	0.3
145.04988	2.5
147.02814	0.8
147.04393	2.0
149.05908	0.4
151.03873	0.8
153.05391	0.6
159.02858	2.8
167.07022	0.5
181.98152	0.4
187.06026	0.5
189.05411	0.4
195.02878	1.3
213.05557	0.7
231.04919	1.3
237.05463	0.4
237.82579	0.4
245.09778	0.4
253.04851	0.7
254.05769	0.5
281.88434	0.4
282.05377	0.8
283.06088	0.7
289.08582	0.6
293.04440	1.2
293.79022	0.4
295.05957	0.9
297.07587	0.8
298.04700	2.7
305.11429	0.4
307.06003	0.4
307.09586	0.5
309.04346	0.4
309.07437	2.1
310.04700	24.3
311.05353	1.2
313.07068	9.9
318.08905	1.3
322.04880	0.9
322.08441	0.5
323.05472	1.3
324.06253	0.8
325.07043	96.0
326.07425	2.7
333.11307	0.8
336.10117	0.5
337.07086	1.3
337.10617	0.5
339.08618	0.8
341.06439	0.6
346.08289	3.6
349.07269	1.0
351.12451	0.5
355.08127	1.0
361.10675	7.5
362.10907	0.4
363.08444	0.7
364.09326	3.2
365.10001	0.4
367.08188	1.7
367.12015	1.5
377.10376	0.6
379.11761	15.1
381.12640	0.4
397.12811	100.0
398.12891	2.2
421.13107	0.7
435.18063	5.0
439.13757	1.6
453.19077	73.4
454.19403	2.1
538.85724	0.6
559.18549	1.7
601.19080	1.6
615.24341	1.5
627.17194	0.7
645.18188	12.6
646.18201	0.5
683.23297	2.5
701.24280	4.2
712.77051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01818	0.9
55.05466	0.5
57.03384	1.6
61.02877	1.5
67.05450	1.0
68.99747	0.7
69.03423	11.1
69.03781	0.4
69.07024	0.5
69.89114	1.2
69.89525	0.5
71.04934	1.1
73.02914	1.7
78.45915	0.2
79.05451	0.6
81.03410	8.7
81.06994	1.2
83.01302	0.4
85.02898	13.7
87.00825	4.4
87.04377	0.3
89.03881	0.5
91.05424	0.9
93.06981	0.8
95.04912	0.6
95.08559	0.7
97.02884	4.6
97.06524	0.2
99.04443	2.7
101.02295	0.6
103.03864	1.1
105.01850	2.0
105.06940	0.6
106.04138	0.3
107.08526	0.4
109.02868	5.8
109.06459	0.3
109.10125	0.5
110.93571	0.3
115.03893	0.4
117.01826	0.5
117.03317	0.9
117.06947	0.7
119.08484	0.4
121.06460	0.3
121.10133	0.4
123.04366	0.5
127.03910	8.9
128.06158	0.2
129.01775	1.1
129.06934	0.3
133.10078	0.3
134.03616	4.3
137.05925	0.5
145.04953	1.9
145.05917	0.3
147.02814	0.6
147.04337	0.4
151.03911	0.7
153.05406	0.7
156.05655	0.4
159.02824	1.5
159.04060	0.3
159.07895	0.3
171.04346	0.4
177.05313	0.3
185.05957	0.9
187.05937	0.3
189.05446	2.3
195.02847	0.5
203.08803	0.3
212.04640	0.5
213.05382	1.1
217.10075	0.8
219.07988	0.5
225.05571	0.3
230.05632	0.3
231.04645	0.3
231.06526	0.4
233.09605	0.6
245.09573	2.1
247.07486	1.1
251.07286	0.3
253.05019	0.5
253.99176	0.3
261.09048	1.7
262.09949	1.5
272.08350	0.4
273.09122	1.9
275.06995	1.0
275.10306	0.3
277.08667	0.3
282.05161	0.3
283.06039	0.4
289.08624	1.8
289.11356	0.4
290.09366	2.6
291.10196	0.3
293.04507	0.3
293.07959	0.6
298.04736	0.3
299.05353	0.3
300.07855	0.6
301.08578	3.1
303.06543	0.5
305.08194	0.5
305.11673	1.1
307.06238	0.6
307.09665	1.2
309.04169	0.3
309.07523	0.6
309.10913	0.3
310.01154	0.4
310.04694	7.5
310.43442	0.3
313.06842	0.4
317.08038	1.2
318.08847	5.7
319.09686	0.9
321.07669	0.9
322.04620	1.4
322.08322	1.1
323.05722	0.6
324.06064	0.4
325.07031	21.4
328.07321	0.4
329.08115	2.9
330.09024	0.4
331.09540	0.7
332.10309	0.3
333.11169	8.9
335.05386	0.6
335.09085	0.6
336.06427	0.6
336.09879	0.9
337.07254	1.9
337.10114	1.7
339.08582	0.4
343.09561	0.7
345.07559	2.3
345.11237	0.5
346.08322	14.4
347.08884	0.8
349.07080	0.9
351.08517	0.7
359.09225	0.8
361.10672	41.7
362.10956	0.8
363.08649	2.9
364.09369	15.4
365.09906	0.6
375.12180	0.3
377.10391	1.1
378.10962	0.4
379.11725	100.0
380.11865	1.7
381.13318	1.6
387.12311	0.3
391.11783	0.5
393.13324	0.3
397.12769	1.5
403.11536	1.6
421.12640	2.6
435.18008	68.3
436.18430	1.1
453.19012	1.9
453.34894	0.3
477.19254	0.5
523.16223	0.4
541.17334	1.8
573.12134	0.5
583.18030	5.0
585.19739	0.9
597.23334	9.3
609.15979	1.3
627.17017	16.2
628.17139	0.3
629.18512	3.2
638.84082	0.3
639.24445	7.6
665.22052	4.5
683.23297	33.4
684.23212	0.9
701.24341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38986	0.2
53.03940	1.0
55.01828	0.7
55.02066	0.2
57.03391	0.8
57.03634	0.2
59.04951	0.4
61.02880	0.6
68.99788	0.9
69.03423	5.8
69.07023	0.7
69.56480	1.6
71.01356	0.2
71.04935	0.5
73.02869	0.9
81.03410	4.6
81.07004	0.5
83.01279	0.2
83.08495	0.2
83.16084	0.2
84.08128	0.2
85.02898	7.8
87.00822	2.7
91.03913	0.3
91.05459	0.2
93.07009	0.2
97.02884	2.4
99.04443	1.2
101.02335	0.3
103.03892	0.4
105.01854	1.6
109.02879	3.5
115.03928	0.2
117.01791	0.4
127.03912	5.5
129.01775	0.6
134.03560	0.2
137.05943	0.3
145.04985	1.0
159.02901	1.1
171.04272	0.2
189.05444	0.3
195.02867	0.5
202.09834	0.2
213.05492	0.3
215.07092	0.2
231.04900	0.5
245.09766	0.2
253.04893	0.4
254.64572	0.2
265.04819	0.3
282.04977	0.3
293.04575	0.2
294.04770	0.2
295.05930	0.6
307.05945	0.3
307.09277	0.3
309.07507	0.6
310.04697	8.2
311.05179	0.7
312.05267	0.4
313.07007	1.1
318.08835	0.5
323.05463	0.6
324.06250	1.0
325.07028	26.7
326.07449	1.6
327.07523	1.1
333.11221	0.5
337.07007	0.7
337.10699	0.4
339.08682	1.5
346.08347	1.5
349.06931	0.3
351.08499	0.6
351.12335	0.3
361.10608	2.9
363.08295	0.4
363.12448	0.3
364.09430	1.8
365.10153	0.6
367.07703	0.3
367.11923	0.9
377.10049	0.7
378.10382	0.4
379.11716	6.6
381.13348	1.4
392.13138	0.2
393.13290	1.2
397.12726	1.8
407.18555	0.3
411.13974	0.2
433.16403	0.2
435.17889	1.3
438.16776	1.2
451.17688	1.3
452.17789	1.6
453.19034	100.0
454.19354	1.9
495.20215	1.0
615.23492	0.2
645.17950	0.3
683.22809	0.3
691.70074	0.2
701.23938	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.1
57.03438	3.6
57.07072	33.0
61.02921	12.1
66.20897	0.5
67.05171	0.9
67.05501	11.2
69.03407	1.4
69.06712	0.6
69.07066	8.1
69.86418	3.3
71.04961	1.1
71.08627	29.2
73.02920	3.6
75.04457	1.9
79.05435	0.6
81.03389	0.8
81.07050	15.1
83.08610	10.2
85.02900	16.3
85.06526	0.7
85.10177	17.9
89.06032	0.8
90.13387	0.6
91.03952	13.7
93.07045	0.7
95.08597	24.3
97.02882	7.0
97.10162	9.2
99.04448	1.3
99.11706	1.5
109.10145	12.5
111.11711	4.4
113.13257	0.9
115.03917	0.7
123.11685	5.1
125.13228	1.1
127.03910	5.6
136.99388	0.5
137.13239	1.9
145.04942	7.0
151.14709	0.8
163.06010	13.1
184.07347	0.9
193.14371	0.6
194.02956	0.5
197.22975	0.5
249.25797	1.1
267.26794	18.0
285.27878	2.3
315.07770	0.6
326.30310	0.7
341.30478	100.0
342.30911	2.3
356.86353	0.5
359.31519	42.1
503.35187	0.6
556.88245	0.6
672.25732	0.7
700.44843	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	701.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01870	3.4
55.05481	0.6
57.03430	1.1
59.04981	0.2
61.02894	0.7
67.05497	1.4
69.03423	6.5
69.07036	0.8
70.06579	0.9
71.01320	0.3
71.04986	1.0
71.62487	0.2
71.62885	0.2
72.08137	0.4
73.02508	0.3
73.02912	4.9
79.05458	0.7
81.03409	5.6
81.07043	2.1
83.01352	0.4
83.04950	0.8
83.08580	0.4
84.08128	0.6
85.02900	8.4
85.06510	0.6
86.09676	0.4
87.00829	0.3
91.03931	0.6
91.05464	1.2
93.07042	1.9
95.04969	1.0
95.08603	1.8
97.02885	3.5
97.10156	0.3
98.09676	0.2
99.04447	1.9
101.02369	7.1
103.03915	0.4
105.07014	1.0
107.04934	0.5
107.08595	1.3
109.02134	0.3
109.02868	3.7
109.06504	0.5
109.10153	1.5
111.04411	0.2
111.08040	0.5
115.03926	0.3
117.07029	0.3
119.03410	0.3
119.04909	0.4
119.08595	0.9
121.02864	0.4
121.06467	0.4
121.10117	0.8
123.04364	0.4
123.08045	0.3
123.11671	0.7
125.05961	0.4
125.09619	0.2
125.22958	0.2
127.03911	7.2
129.01849	1.2
129.05414	0.2
129.06979	0.3
131.04912	0.2
131.08525	0.5
133.02921	0.3
133.10095	1.0
134.03584	0.4
135.04382	0.3
135.08017	0.3
135.11661	0.6
137.02309	0.2
137.05943	0.8
137.09547	0.2
137.13196	0.2
138.05431	0.2
138.16574	0.2
139.03917	0.2
139.07487	0.5
143.08521	0.4
145.04926	2.2
145.10101	0.5
147.02931	0.9
147.04379	1.2
147.11671	0.7
149.05988	0.4
149.09647	0.3
149.13235	0.4
151.03873	0.4
151.07407	0.2
151.11148	0.3
153.05496	0.2
153.06921	0.2
155.08318	0.2
159.04456	0.4
159.11714	0.5
161.05960	0.3
163.03827	0.5
167.07019	1.2
169.06483	0.3
169.08612	0.3
169.10074	0.3
173.09590	0.3
173.13217	0.2
175.03928	0.3
175.11209	0.2
175.14844	0.3
177.05412	0.6
177.09151	0.2
181.08586	0.2
185.06015	0.2
185.09610	0.2
187.07487	0.4
189.05576	0.4
189.16493	0.2
191.03372	0.3
191.10666	0.3
195.07990	0.2
195.13737	0.2
198.06641	0.2
199.14975	0.2
201.16306	0.2
207.06546	0.3
213.05466	0.9
213.16530	0.2
227.07002	0.6
228.07660	0.2
229.04939	0.4
231.06529	0.3
245.07925	0.3
247.06017	0.5
255.06570	0.2
269.56305	0.2
273.06070	0.8
279.06403	0.4
279.10315	0.3
287.10675	0.2
289.08554	0.5
293.07953	0.4
295.06171	0.4
298.04367	0.2
303.10056	0.6
305.08194	0.4
307.06281	0.2
307.09653	0.8
308.06787	0.4
309.04037	0.2
309.07565	0.9
310.04752	0.3
311.05469	1.6
313.07202	0.3
315.10147	0.4
317.07971	0.3
319.09729	0.6
321.07550	0.8
321.11304	0.6
322.11972	0.3
323.05490	0.7
323.09143	0.6
324.06253	4.6
324.10001	0.4
325.06976	1.2
326.07645	0.3
327.08664	0.7
331.09491	0.4
332.10550	0.4
333.11288	0.4
335.05658	0.3
335.09146	1.7
336.06274	1.4
336.09647	0.4
337.06961	0.8
337.10623	0.3
338.07581	0.4
339.08594	8.1
340.08942	0.4
343.09622	0.7
346.08231	0.3
347.09100	2.0
349.07019	0.7
349.10687	0.5
350.07724	1.1
350.11505	0.2
351.08612	1.9
351.12396	0.5
353.10110	0.8
357.10303	0.2
359.09055	0.7
360.09775	3.1
361.10559	1.0
363.08505	4.1
364.09277	1.0
365.10126	5.1
365.13977	0.3
369.09497	0.3
375.12207	4.8
376.12747	0.2
377.10028	1.2
378.10956	7.8
379.11609	1.4
381.09564	0.5
381.13629	0.3
383.15121	0.3
391.11783	0.4
393.13284	33.1
394.13858	0.9
395.11166	0.5
396.12054	0.9
397.13263	0.3
411.14337	100.0
412.14713	3.2
417.13123	0.4
417.34119	1.1
433.16479	0.4
435.14148	0.4
435.34625	0.8
453.15619	0.6
485.19458	0.4
503.20670	1.3
521.21313	0.5
527.15204	1.3
539.22870	0.4
665.26147	3.3
683.28107	1.0
701.20978	1.0
701.37567	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01865	0.2
55.05505	8.5
57.03434	1.2
57.07060	0.3
58.06596	4.4
59.05000	1.4
61.02940	0.2
65.03951	0.2
67.05495	1.2
68.05039	0.2
68.33559	0.2
69.03423	4.0
69.07057	0.3
70.06602	1.3
70.28819	0.5
71.01352	0.3
71.04989	1.1
72.04512	0.3
72.08147	0.2
73.02911	2.0
79.05477	0.3
81.03408	2.3
81.07056	0.5
82.06611	0.2
83.01361	0.2
83.04473	0.3
83.04977	5.7
83.06042	0.2
84.08137	57.8
85.02901	7.1
85.03422	0.3
85.06528	1.9
85.08459	0.4
86.06051	0.8
87.04459	1.6
91.02385	0.2
91.05477	0.5
93.07034	0.5
95.04955	0.2
97.02879	2.9
98.09686	0.7
99.04446	1.4
100.07597	0.4
100.11246	3.4
101.06010	19.6
105.07027	0.5
107.04948	0.2
107.08590	0.4
109.02883	1.8
109.06488	0.4
109.10201	0.3
111.04443	1.0
112.07607	0.6
114.09159	0.3
121.10146	0.2
123.04450	0.5
127.03905	2.4
128.04263	0.2
128.10706	23.2
129.05450	0.3
131.04959	0.2
131.08492	0.3
135.04402	0.3
137.05972	0.5
140.07060	0.7
142.10361	0.2
143.07074	0.3
143.08510	0.2
144.10207	0.5
145.05005	0.4
145.10107	0.3
146.11749	12.9
147.04413	0.5
147.11900	0.3
149.06021	0.3
149.09596	0.3
151.03963	0.2
154.08557	0.2
163.07568	0.2
165.09138	0.3
165.71571	0.2
167.07054	0.7
171.11780	0.2
177.05539	0.5
180.10193	0.3
181.06509	0.2
183.08000	0.2
188.12813	1.1
203.07230	0.2
203.86606	0.2
213.05382	0.3
215.06990	0.2
216.14536	0.2
218.13884	0.3
227.07062	0.5
229.05000	0.4
230.13892	1.4
245.08105	0.3
248.14969	0.4
254.13858	0.6
272.14868	2.6
279.06772	0.2
290.15976	12.6
297.00790	0.2
303.10181	0.3
304.10724	0.2
307.09653	0.3
308.06903	0.4
312.64603	0.2
313.07260	0.4
315.10025	0.2
321.07571	0.4
323.05649	0.3
323.09167	0.5
324.06189	2.2
325.07001	0.4
326.08163	0.2
327.08795	0.4
330.35574	0.2
332.10648	0.3
333.11285	0.3
335.09009	0.8
336.06320	0.8
336.09793	0.3
337.07147	0.7
337.10797	0.2
338.07758	0.2
339.08606	5.2
340.09088	0.2
343.09702	0.3
345.07300	0.2
346.08423	0.3
347.08740	0.2
349.07184	0.6
349.10944	0.2
350.07748	0.5
350.11740	0.4
351.08517	1.5
353.10019	0.3
357.09683	0.3
359.09143	0.5
360.09836	2.0
361.10925	0.8
363.08560	2.6
363.12433	0.4
364.09433	0.8
365.10269	0.5
369.09262	0.2
375.12244	2.9
377.10434	0.7
378.10971	5.5
378.15567	0.3
379.11737	1.0
381.09418	0.3
391.11917	0.6
393.13300	21.5
394.13715	0.5
396.11963	0.4
411.14349	27.4
412.14911	0.6
435.14322	0.6
452.07843	0.3
453.15170	0.4
501.15018	0.2
537.17822	0.5
538.37292	0.3
555.18597	0.3
679.64929	0.2
700.29535	100.0
701.29950	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	699.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
55.84937	0.4
57.03416	0.9
57.07084	0.5
67.05496	2.3
68.32208	0.4
69.07043	1.2
71.04987	0.5
76.47460	0.4
79.05484	2.9
81.07048	2.9
82.90549	0.4
83.08600	0.5
91.05473	3.0
93.07027	2.4
95.04971	0.8
95.08603	1.7
102.20491	0.4
105.07027	2.5
107.08585	1.1
110.62199	0.4
117.07063	0.4
119.08583	1.9
121.06535	0.4
121.10143	0.8
128.06294	0.4
131.08580	1.2
133.10118	0.5
135.98187	0.4
137.35747	0.4
139.54024	0.4
145.10115	1.0
147.11644	0.8
159.11769	0.6
171.11726	0.5
198.88213	0.4
229.17700	0.5
247.13152	1.5
303.15884	1.3
305.44449	0.4
315.19373	1.1
321.39697	0.4
333.20319	12.0
333.24146	0.7
389.22955	6.4
430.67761	0.4
591.02362	0.4
613.36786	1.6
699.44330	100.0
700.44659	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	700.2229
Annotation	Miuraenamide F
Peak:m/z	Relative Intensity
50.58179	0.1
53.03927	0.1
57.03422	0.1
61.09139	0.1
65.03926	0.4
67.05484	0.2
69.03406	0.1
70.06588	0.4
71.04980	0.3
71.07305	0.1
72.08140	0.2
73.02899	0.1
78.03435	0.1
78.73187	0.1
81.03416	0.1
81.07044	0.1
84.08129	0.2
85.02896	0.5
86.09692	0.1
91.05436	0.1
92.04985	0.2
93.05783	0.3
94.06560	3.7
95.04956	0.2
96.04494	0.6
97.02882	0.2
97.06496	0.1
98.06037	0.1
99.04488	0.1
99.08109	0.1
105.07014	0.1
106.02911	0.2
107.04945	0.1
107.08543	0.1
109.02890	0.1
110.06032	3.7
119.04900	0.1
121.84806	0.1
122.06017	0.2
124.03951	0.1
127.03904	0.4
127.08710	0.1
129.10188	0.1
133.10173	0.1
137.05954	0.2
138.05490	100.0
139.05856	0.9
145.02863	0.1
147.04404	0.4
149.09564	0.1
153.01753	0.1
154.04984	0.2
163.07446	0.1
165.01846	0.1
167.03453	0.1
167.07031	0.2
167.30766	0.1
176.43602	0.1
177.05597	0.1
180.08820	0.3
205.08540	0.1
207.06570	0.1
219.09804	0.1
222.07547	0.1
271.05917	0.1
282.09695	1.2
287.09210	0.1
295.05942	0.1
307.05731	0.1
325.07037	0.1
391.08020	0.2
404.49191	0.1
428.15454	1.3
493.11575	0.1
554.16412	0.4
580.16412	0.2
700.22266	34.9
701.22607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
55.05517	0.2
59.25742	0.2
66.92985	0.2
67.05492	0.4
69.03422	0.3
69.07080	0.2
70.35703	0.7
79.05460	0.2
81.07045	0.4
83.42113	0.2
85.02933	0.2
91.05454	0.2
93.07072	0.2
95.08580	0.4
105.07028	0.4
107.08541	0.3
109.10162	0.2
131.08476	0.2
133.10081	0.2
142.13615	0.2
147.04434	0.2
151.71700	0.2
155.01839	0.2
163.07492	0.2
174.53212	0.2
185.04257	0.8
189.87907	0.2
192.24649	0.2
232.94603	0.2
259.07916	0.4
301.20065	0.5
305.07767	0.2
319.21353	0.3
347.09430	1.0
360.66251	0.2
375.24963	0.4
377.43146	0.2
388.05750	0.2
404.51645	0.2
421.12598	0.2
439.25299	0.2
537.30328	21.2
538.30719	0.9
699.35516	100.0
700.23901	0.4
700.35840	4.7
729.31561	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	699.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01868	0.7
55.05502	0.5
57.03432	0.8
57.70074	0.1
59.04988	0.2
61.02919	0.6
69.03423	7.2
70.06592	0.2
71.01327	0.2
71.04986	1.7
72.08141	0.4
73.02916	2.8
73.25088	0.1
73.52067	0.1
79.05486	0.2
81.03411	8.1
82.03758	0.1
83.01337	0.2
83.04978	1.2
85.02898	13.1
87.04468	1.4
89.10794	0.1
91.03947	0.2
91.05471	0.2
95.04964	0.4
97.02883	7.9
98.20694	0.3
99.04446	13.0
100.04838	0.2
101.02380	0.3
103.03929	7.8
105.05494	0.3
105.06992	0.2
106.06559	0.2
107.04928	0.3
109.02868	16.0
111.04436	0.5
115.03928	1.2
117.05499	0.1
117.67874	0.1
119.04926	0.2
121.06461	0.2
123.04424	0.4
123.06564	0.2
125.02331	0.5
127.03904	100.0
128.04240	0.8
129.05502	0.6
133.04953	0.3
133.06508	0.2
134.05975	0.2
135.04366	0.2
137.05948	0.3
138.05469	0.2
139.03836	0.3
141.05412	0.2
145.04945	9.5
147.04387	0.5
147.06474	0.7
149.02306	0.1
149.05978	0.4
151.03894	0.5
152.07062	0.5
152.28085	0.1
157.04933	0.4
157.80119	0.1
161.05949	0.3
163.03964	0.2
163.05988	2.0
165.05420	0.2
167.07042	0.4
169.04930	1.1
170.08215	0.2
170.52078	0.2
173.04486	0.2
175.03906	0.4
177.05423	0.2
181.04881	0.2
187.05991	4.5
189.05440	0.5
191.07016	0.1
193.04921	0.4
195.06514	0.4
199.06053	0.3
205.05066	0.3
205.07031	1.5
207.06528	0.7
209.08119	0.4
211.06053	0.5
213.07544	1.2
217.05016	0.3
217.44405	0.1
227.09157	0.3
229.06963	0.8
231.08691	0.4
235.05986	0.9
245.10323	0.3
247.08131	0.4
249.09702	0.2
253.07051	2.7
259.08197	0.2
267.10617	0.2
271.08109	6.9
289.09143	3.8
291.10648	0.6
307.10165	0.7
313.09274	0.4
331.10211	0.4
339.10767	0.2
349.11502	0.3
355.09772	0.1
357.11707	0.4
375.12848	0.5
379.10175	0.4
393.13834	0.3
397.11285	1.5
415.12320	3.5
433.13412	2.3
451.14737	0.6
474.18527	0.2
483.14456	0.2
501.16010	0.2
519.16827	0.2
530.96667	0.1
541.15631	0.4
577.17444	0.4
700.24255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.1
53.03940	1.1
55.01861	0.5
55.05509	0.4
57.03439	0.8
59.04996	0.1
61.02913	0.4
67.01869	0.2
67.05489	0.1
68.99791	0.1
69.03423	6.9
70.06573	0.2
71.01326	0.2
71.04981	1.4
72.08138	0.3
73.02914	2.2
73.52130	0.1
75.04440	0.1
75.98763	0.1
79.05496	0.2
81.03411	7.9
83.01327	0.2
83.04523	0.2
83.04977	1.5
85.02898	12.6
87.04467	1.7
91.03971	0.1
91.05479	0.2
95.04945	0.3
97.02885	7.5
98.21483	0.2
99.04444	12.4
100.04751	0.1
101.02377	0.3
103.03934	7.1
105.05483	0.3
105.07024	0.2
107.04918	0.2
109.02868	15.6
109.06522	0.1
110.03716	0.2
111.04437	0.6
114.61923	0.1
115.03925	0.8
117.05489	0.2
119.04942	0.2
121.02842	0.2
121.06489	0.2
123.04420	0.3
123.06511	0.4
125.02335	0.4
127.03904	100.0
128.04227	0.9
129.05484	0.5
131.04889	0.1
133.04927	0.3
133.06479	0.1
134.86656	0.1
135.04375	0.1
137.05969	0.2
138.05508	0.2
139.03880	0.3
139.18584	0.1
141.05479	0.2
143.03400	0.2
143.33891	0.1
145.04945	10.2
146.05397	0.1
147.04391	0.4
147.06497	0.6
149.05954	0.4
151.03915	0.4
157.04921	0.5
161.05975	0.3
163.03885	0.2
163.05994	2.1
163.07358	0.2
165.05453	0.3
167.07040	0.3
169.04979	1.2
171.06520	0.1
173.04417	0.2
177.05460	0.4
179.06998	0.1
181.04933	0.2
187.06001	4.6
189.05458	0.3
189.07570	0.1
191.07002	0.2
193.04935	0.4
195.06493	0.4
199.06018	0.3
205.04967	0.3
205.07024	1.8
207.06493	0.3
209.08105	0.5
211.05994	0.6
213.07529	1.6
217.04930	0.2
223.06006	0.1
227.09184	0.2
229.07080	0.9
229.32854	0.1
231.08591	0.4
235.05981	1.1
245.10149	0.4
247.08110	0.5
249.09772	0.2
251.09195	0.1
253.07045	2.7
255.08650	0.2
259.08188	0.1
265.15585	0.2
267.10776	0.2
271.08112	7.2
289.09164	3.7
291.10706	0.7
295.08130	0.2
299.44040	0.1
307.10226	0.5
309.11469	0.1
313.09143	0.4
321.09717	0.1
331.10205	0.4
339.10553	0.2
349.11093	0.4
355.10318	0.1
357.11734	0.4
361.09256	0.1
373.11154	0.2
375.12692	0.5
379.10132	0.6
393.13779	0.3
397.11292	1.6
415.12335	3.4
416.12451	0.2
416.55557	0.1
433.07935	0.1
433.13480	2.1
451.14636	0.5
483.14587	0.1
488.27383	0.1
501.15857	0.3
519.16907	0.2
537.17725	0.2
541.15222	0.3
577.17584	0.2
594.37372	0.1
649.89044	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	699.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92407	0.3
53.03932	1.1
55.01861	1.3
57.03421	1.4
61.02917	1.1
65.03941	0.5
67.05490	1.6
68.99784	0.9
69.03425	8.1
69.07068	0.6
70.24276	0.3
71.04981	0.7
71.61893	0.4
73.02907	1.0
76.41626	0.3
79.05493	0.4
81.03416	5.1
81.07064	0.7
81.15005	0.3
83.08602	0.4
85.02896	11.1
85.06525	0.5
87.00820	3.2
91.05451	0.4
93.07032	0.6
95.04974	0.6
95.08587	0.7
97.02887	3.3
99.04445	2.6
101.02354	0.3
103.03937	0.9
105.01865	1.7
105.07028	0.9
109.02869	5.1
109.10128	0.5
115.03919	0.5
121.10211	0.4
123.04429	0.9
125.05958	0.5
127.03909	6.6
129.01851	0.9
129.06908	0.4
131.04900	0.4
131.08559	0.6
133.02867	0.4
135.04443	0.6
137.05983	0.7
145.04913	1.6
146.37166	0.4
146.92401	0.3
149.05920	0.4
151.03905	0.8
153.05463	1.8
159.03038	1.5
159.04243	1.7
159.08093	0.6
165.05487	0.4
169.06522	0.4
179.41586	0.3
186.06961	0.3
187.06017	0.4
187.07524	1.1
195.02858	0.4
203.06924	0.3
213.05443	5.0
215.03386	0.4
215.07014	0.5
219.83513	0.3
231.04895	0.8
267.10303	0.4
309.07309	0.4
310.04623	1.5
313.07263	0.4
321.07587	0.6
323.05338	0.8
325.07001	3.6
333.11206	0.4
335.09000	0.6
337.06985	1.6
346.08243	2.8
347.09079	0.5
349.06909	0.9
349.10721	0.8
350.07828	0.5
351.08539	0.6
361.10712	3.7
363.08557	2.4
363.12387	0.6
364.09406	5.8
365.10052	1.8
367.07599	0.6
367.11740	6.4
377.10162	0.4
379.11728	27.6
380.08105	1.8
380.12869	0.6
391.11630	0.7
393.13705	0.5
395.11237	19.1
396.11624	0.5
403.11514	0.8
409.12656	0.8
415.15372	0.6
418.13919	0.6
421.11987	0.6
421.17081	0.6
433.16455	6.5
434.16714	0.5
436.15274	0.4
451.17487	100.0
452.17801	3.3
452.69901	0.4
493.18527	1.3
613.22955	2.1
643.16144	1.1
655.23785	0.4
681.21246	2.4
699.22809	5.9
700.22418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92407	0.3
53.03932	1.1
55.01861	1.3
57.03421	1.4
61.02917	1.1
65.03941	0.5
67.05490	1.6
68.99784	0.9
69.03425	8.1
69.07068	0.6
70.24276	0.3
71.04981	0.7
71.61893	0.4
73.02907	1.0
76.41626	0.3
79.05493	0.4
81.03416	5.1
81.07064	0.7
81.15005	0.3
83.08602	0.4
85.02896	11.1
85.06525	0.5
87.00820	3.2
91.05451	0.4
93.07032	0.6
95.04974	0.6
95.08587	0.7
97.02887	3.3
99.04445	2.6
101.02354	0.3
103.03937	0.9
105.01865	1.7
105.07028	0.9
109.02869	5.1
109.10128	0.5
115.03919	0.5
121.10211	0.4
123.04429	0.9
125.05958	0.5
127.03909	6.6
129.01851	0.9
129.06908	0.4
131.04900	0.4
131.08559	0.6
133.02867	0.4
135.04443	0.6
137.05983	0.7
145.04913	1.6
146.37166	0.4
146.92401	0.3
149.05920	0.4
151.03905	0.8
153.05463	1.8
159.03038	1.5
159.04243	1.7
159.08093	0.6
165.05487	0.4
169.06522	0.4
179.41586	0.3
186.06961	0.3
187.06017	0.4
187.07524	1.1
195.02858	0.4
203.06924	0.3
213.05443	5.0
215.03386	0.4
215.07014	0.5
219.83513	0.3
231.04895	0.8
267.10303	0.4
309.07309	0.4
310.04623	1.5
313.07263	0.4
321.07587	0.6
323.05338	0.8
325.07001	3.6
333.11206	0.4
335.09000	0.6
337.06985	1.6
346.08243	2.8
347.09079	0.5
349.06909	0.9
349.10721	0.8
350.07828	0.5
351.08539	0.6
361.10712	3.7
363.08557	2.4
363.12387	0.6
364.09406	5.8
365.10052	1.8
367.07599	0.6
367.11740	6.4
377.10162	0.4
379.11728	27.6
380.08105	1.8
380.12869	0.6
391.11630	0.7
393.13705	0.5
395.11237	19.1
396.11624	0.5
403.11514	0.8
409.12656	0.8
415.15372	0.6
418.13919	0.6
421.11987	0.6
421.17081	0.6
433.16455	6.5
434.16714	0.5
436.15274	0.4
451.17487	100.0
452.17801	3.3
452.69901	0.4
493.18527	1.3
613.22955	2.1
643.16144	1.1
655.23785	0.4
681.21246	2.4
699.22809	5.9
700.22418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	1.7
55.01814	1.2
57.03378	1.6
61.02861	1.5
65.70815	0.2
67.05446	0.5
68.99787	1.6
69.03425	11.4
69.03773	0.6
71.01308	0.3
71.04989	1.0
71.07787	0.4
73.02917	1.8
79.05427	0.2
79.64617	0.2
80.69328	0.1
81.03414	9.8
81.03858	0.4
81.07011	0.3
83.01283	0.3
85.02898	15.2
85.03386	0.6
87.00827	5.2
87.04398	0.4
91.03875	0.6
91.05441	0.3
93.07014	0.2
95.04914	0.3
97.02889	4.6
99.04444	3.1
101.02328	0.3
101.14944	0.2
103.03944	0.9
103.05406	0.2
105.01865	3.0
107.04908	0.3
108.50991	0.2
109.02874	7.0
109.03568	0.2
109.06436	0.4
117.01848	0.9
119.04887	0.2
121.02840	0.2
121.06373	0.2
122.03593	0.3
127.03908	10.8
128.06129	0.2
129.01836	1.3
129.06929	0.2
129.29488	0.2
131.04849	0.3
133.02768	0.3
133.06375	0.2
134.03572	0.6
135.04332	0.6
137.02232	0.2
137.05881	0.7
141.06934	0.2
143.08492	0.3
145.04955	2.6
147.02837	0.4
149.05934	0.2
150.03030	0.5
151.03905	2.0
151.04974	0.4
155.08502	0.2
159.02812	3.1
159.04306	0.7
163.03764	0.3
165.05402	1.4
165.06854	0.4
171.02802	0.2
171.04323	0.2
171.07993	0.3
173.32578	0.2
175.07547	0.2
179.08488	0.2
185.05885	0.3
187.03773	0.3
187.05960	0.4
187.07512	0.3
189.03848	0.3
189.05420	0.4
191.03307	0.2
193.04681	0.2
193.10109	0.2
195.08025	0.2
196.08699	0.2
197.05907	0.3
197.09627	0.2
198.06735	0.2
199.07497	0.6
203.03236	0.2
208.08810	0.3
209.06128	0.2
209.09579	0.2
211.07402	0.5
211.10957	0.2
212.08263	0.3
213.03676	0.4
213.05606	1.5
215.06918	0.2
219.08177	0.3
221.05638	0.2
223.07501	0.2
223.11153	0.5
224.04623	0.3
224.08264	0.2
225.05397	0.5
225.09062	1.1
226.09857	0.5
227.06946	0.2
231.04797	1.2
234.29826	0.2
237.05394	0.2
239.06949	0.3
239.10675	0.4
241.12209	0.4
244.35666	0.2
245.09546	0.4
246.10361	0.2
247.07501	0.3
248.08260	0.4
249.09079	0.5
251.07013	1.4
251.10640	0.2
253.08430	0.7
253.12015	0.2
261.08975	0.4
263.10632	0.3
266.09256	0.2
267.10089	1.1
269.07913	1.1
274.10031	0.2
275.06924	0.2
277.08368	0.4
287.09149	0.5
289.08554	0.4
290.09415	0.3
291.09940	0.4
292.07193	0.2
293.08060	0.3
298.04428	0.2
301.08633	0.7
301.12042	0.2
302.09271	0.3
303.06488	0.2
303.09973	0.2
304.07114	0.2
305.08127	0.4
305.11423	0.2
307.06158	0.2
310.04709	0.6
313.08585	0.2
315.10013	0.2
317.08130	0.4
317.11624	0.2
318.08783	0.7
319.09598	0.7
319.13174	0.4
320.06924	0.3
320.10297	0.3
321.07645	0.3
322.04715	0.3
323.05417	0.4
324.06360	0.2
325.06982	1.3
328.10693	0.2
329.07941	0.5
329.11612	0.8
330.08777	0.4
331.09604	0.4
332.10535	0.2
333.07626	0.4
333.11194	1.1
334.08124	0.6
335.05521	0.3
335.09122	0.6
336.06204	0.4
336.09988	0.3
337.07126	1.0
337.10602	0.4
339.08612	0.3
343.09521	0.5
343.13086	0.4
344.10132	0.2
344.14001	0.2
345.11136	0.5
346.08276	2.1
347.08981	1.0
347.12830	0.6
348.09775	0.9
349.06921	0.3
349.10648	0.8
350.07809	0.4
351.08640	1.5
355.13107	0.3
357.07245	0.2
357.11136	1.9
358.08322	0.9
358.12149	0.3
359.08969	0.5
359.12906	0.2
360.10007	0.2
361.06833	0.6
361.10699	4.9
361.15002	0.3
362.07730	0.6
362.11578	0.3
363.08575	1.4
363.12415	0.5
364.09369	3.6
365.10062	0.8
367.11667	0.4
370.08325	0.6
371.08975	0.6
371.12857	0.5
372.13797	0.3
373.10617	2.1
373.14578	0.2
374.11456	0.3
375.08249	0.5
375.12357	2.7
376.09265	0.5
376.13272	0.3
377.10080	1.2
377.14139	0.2
378.10791	0.8
379.11749	12.1
380.12189	0.4
382.11859	0.4
383.12677	0.6
385.10703	3.3
386.11261	0.6
387.11920	0.5
387.16190	0.3
388.09146	0.4
389.09491	0.3
389.14517	0.8
390.10492	0.3
390.14905	0.4
391.11551	2.6
391.15686	0.2
392.12796	0.2
393.13571	0.2
397.14102	0.9
399.12198	0.8
400.13004	2.9
401.13879	0.8
403.11731	3.9
405.12607	0.4
405.17258	0.4
415.15427	6.8
417.13333	1.1
418.14069	8.2
419.14563	0.3
421.12766	0.3
431.14807	0.6
433.16443	82.1
434.16760	2.9
451.17484	100.0
452.17831	3.5
457.16086	0.3
475.17596	1.4
493.18463	0.5
517.18127	0.2
595.21820	2.3
627.17194	0.5
637.22766	9.1
638.23108	0.3
663.20911	1.1
681.21716	24.4
682.22308	1.1
699.22925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.2
53.03948	1.5
55.01626	0.1
55.01868	1.3
57.03432	1.7
61.02923	1.5
67.05463	0.3
68.99789	1.1
69.03425	9.1
69.07024	0.6
71.01321	0.4
71.04987	1.0
72.08117	0.2
73.02914	1.3
79.05453	0.3
81.03415	7.6
81.07016	0.4
83.01314	0.2
83.04942	0.3
85.02900	12.7
87.00826	4.0
87.04438	0.4
91.03918	0.3
91.05439	0.5
93.07008	0.3
95.04941	0.3
95.08566	0.2
97.02886	4.0
99.04458	2.3
101.02364	0.3
103.03913	0.5
105.01863	2.6
105.07012	0.3
107.04886	0.2
107.08533	0.5
109.02876	5.7
109.06453	0.3
109.10159	0.3
115.03903	0.2
117.01842	0.4
117.03310	0.4
123.04424	0.9
125.91071	0.2
126.16578	0.2
127.03909	8.7
129.01843	1.0
131.04903	0.2
134.03664	0.3
135.04398	0.2
137.05957	0.2
143.08559	0.2
145.03917	0.2
145.04956	2.2
147.02844	0.5
147.04324	0.4
149.06007	0.4
151.03880	0.4
153.01755	0.2
153.05431	0.4
155.04823	0.2
159.02892	2.4
159.04185	0.1
161.05946	0.3
169.06448	0.2
171.02940	0.3
175.03856	0.2
183.42886	0.2
187.07536	0.2
189.03925	0.3
195.02893	0.9
197.05923	0.3
198.06790	0.2
213.03865	0.3
221.78984	0.2
228.04178	0.3
229.04898	0.3
231.04956	1.2
232.09111	0.2
233.09717	0.2
235.07489	0.2
241.08728	0.2
253.04988	0.8
254.05826	0.3
261.09070	0.4
263.07031	0.3
265.05066	0.2
277.08551	0.3
278.09409	0.3
282.05237	0.5
283.05930	0.2
289.08749	0.4
292.07019	0.2
293.04382	0.7
293.07553	0.2
295.06119	0.4
296.06717	0.2
297.07422	0.2
298.04791	0.3
300.06229	0.3
303.10089	0.2
305.08096	0.5
306.08807	0.6
307.05954	0.4
308.10455	0.4
309.04099	0.2
309.07520	0.6
310.04703	14.2
311.05307	0.4
313.07062	0.8
316.07257	0.2
317.08072	0.6
318.08823	0.2
319.09512	0.2
319.13354	0.2
321.07779	0.2
321.11172	0.7
323.05383	0.4
323.09195	0.4
323.12640	1.1
324.03009	0.2
324.06320	0.4
325.07040	59.8
326.07440	1.5
331.09451	0.3
333.07739	0.3
333.11230	0.3
334.08267	1.4
335.09146	0.6
337.07101	0.8
337.10587	0.3
338.07745	0.4
339.04913	0.3
339.08582	0.6
344.06738	0.8
345.07239	0.3
347.09061	0.2
349.07059	0.3
349.10684	3.5
350.07623	0.3
351.12277	3.5
353.06583	0.2
353.10315	1.8
359.09219	1.2
361.06732	0.2
361.10590	0.5
362.07840	3.7
363.08371	0.4
364.09354	0.2
365.10150	1.2
367.07959	1.0
367.11813	7.6
368.12369	0.2
373.10538	0.3
375.08514	0.3
377.10187	21.3
378.10590	0.8
379.11813	0.6
381.13382	1.0
391.11710	0.3
393.13242	0.5
395.11234	3.6
403.11316	0.2
403.15518	1.4
405.17166	0.2
409.13049	0.2
415.15579	0.4
417.13327	0.5
418.14200	0.6
420.15686	0.4
421.16415	1.0
423.17795	0.3
433.16489	4.9
433.32907	0.3
451.17496	100.0
452.17804	4.1
493.18491	0.4
595.21722	0.3
643.16541	0.3
655.23865	0.4
681.21564	2.3
699.23273	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	699.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01874	0.9
55.05511	0.4
57.03444	1.4
60.25084	0.2
61.02926	0.5
65.03925	0.3
67.05498	1.3
68.99799	0.6
69.03423	9.5
69.07085	0.5
71.01384	0.3
71.05004	1.1
71.17578	0.6
73.02930	0.9
79.05487	0.4
81.03409	5.4
81.03845	0.4
81.07065	1.1
83.01356	0.4
83.08633	0.3
85.02898	12.1
86.47633	0.2
87.00817	4.2
87.04481	0.5
91.05503	0.6
93.07047	0.5
95.08628	0.7
97.02884	11.4
97.03491	0.6
99.04440	2.8
101.02412	0.5
105.01853	2.2
105.03385	0.4
105.07044	0.5
107.04970	0.4
107.08599	0.5
107.43042	0.3
109.02881	3.1
109.06551	0.3
109.10190	0.7
112.76337	0.3
115.03994	0.5
121.06473	0.3
125.06049	0.5
127.03909	7.5
129.01852	0.4
129.07021	0.4
131.04973	0.4
131.08656	0.3
133.02856	0.6
133.10164	0.3
134.03610	0.6
135.04424	0.7
136.78690	0.2
137.06009	0.7
141.05458	0.3
143.08542	0.3
145.04953	3.1
145.06082	0.3
145.06476	0.3
147.04451	0.7
150.03136	0.4
151.03876	2.5
153.05447	2.8
159.02934	0.3
159.04456	0.8
163.03911	0.6
163.07681	0.3
165.05528	0.9
165.07066	0.4
167.07034	0.7
169.06531	0.3
171.02937	0.3
171.08012	0.4
183.08121	0.3
187.03951	0.3
187.07558	0.3
189.05502	0.5
199.07539	0.5
209.09718	0.3
211.07536	0.6
211.11258	0.3
213.05469	1.5
223.07558	0.3
224.04695	0.3
225.05536	0.5
225.09129	1.1
226.09895	0.5
227.07018	0.3
231.04793	1.5
239.10655	0.4
241.12283	0.7
245.09653	0.5
248.08490	0.4
249.09117	0.3
251.07095	1.2
253.08549	0.6
267.10175	1.0
269.08087	0.9
273.09109	0.4
277.08618	0.5
287.09311	0.3
291.10226	0.4
293.08099	0.4
295.06079	0.3
301.08722	0.6
301.12183	0.4
303.09927	0.3
307.09845	0.4
310.04810	0.8
311.05505	0.5
315.10135	0.3
317.07953	0.3
318.08832	0.8
319.09668	0.7
319.13187	0.4
320.10123	0.3
321.07739	0.4
322.04614	0.3
324.06161	0.4
325.06921	1.9
329.08148	0.5
329.11798	0.7
331.09637	0.5
333.07654	0.5
333.11285	0.9
334.08313	0.5
335.09171	0.8
336.06277	0.6
337.07169	0.6
337.10730	0.3
339.09024	0.4
343.09702	0.4
345.11166	0.5
346.08398	2.5
347.08945	1.1
347.12869	0.7
348.09854	0.7
349.06699	0.3
349.10675	1.1
350.07779	0.4
351.08636	1.9
353.10315	0.5
357.11212	1.4
358.08240	0.9
359.09018	0.6
360.09943	0.3
361.06918	0.6
361.10718	5.6
361.14993	0.3
362.07626	0.5
362.11542	0.4
363.08423	1.6
363.12589	0.4
364.09363	3.7
365.10086	1.3
367.11789	0.4
370.08234	0.6
371.09024	0.6
373.10623	1.7
373.14673	0.6
375.08392	0.5
375.12323	2.5
376.09433	0.7
377.09940	1.4
378.10919	0.9
379.11740	15.1
380.12119	0.9
381.12796	0.7
382.11905	0.7
383.12811	0.4
385.10709	3.4
387.16211	0.4
389.09631	0.6
389.13937	0.7
391.11487	2.2
391.15820	0.3
392.12234	0.3
393.13339	0.8
397.14169	1.1
399.12286	0.7
400.12955	2.7
401.13858	0.5
403.11316	3.0
403.15781	0.7
405.12711	0.4
405.17365	0.5
411.14313	0.3
415.15378	5.6
416.15753	0.3
417.13422	0.8
418.14063	6.7
419.14783	0.5
421.16489	1.9
433.16449	66.6
434.16724	2.9
451.17487	100.0
451.33966	1.7
452.17831	4.9
475.17319	1.1
519.23676	1.8
537.23541	0.3
541.16846	1.1
543.17474	0.5
588.93164	0.3
595.21332	0.4
637.22565	1.2
681.20392	3.4
699.24323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01868	1.7
55.05251	1.5
55.05505	18.6
55.38681	1.0
57.03435	5.9
57.07072	13.8
61.02635	1.5
61.02921	19.0
67.05167	1.9
67.05497	27.2
69.03416	2.9
69.07062	37.1
70.00810	5.3
70.12189	1.0
71.04977	2.3
71.08633	9.3
73.02905	8.1
75.04460	2.6
79.05490	13.4
81.03393	2.8
81.06574	2.0
81.07047	37.3
83.04948	2.1
83.08609	34.6
83.09103	2.2
85.02898	25.7
85.06531	1.9
85.10173	4.9
91.03941	22.8
91.05473	1.5
93.07036	20.4
95.04999	1.6
95.08598	41.3
97.02883	10.8
97.06532	6.9
97.10161	22.2
99.04431	2.0
99.08067	2.0
105.06981	2.5
107.08595	15.1
109.10146	18.7
111.08102	4.9
111.11710	7.1
121.10136	32.5
123.11712	8.7
125.09591	2.9
125.13280	1.9
127.03893	8.8
135.11679	25.7
136.06165	19.9
137.13223	3.0
139.11130	3.5
145.04948	11.8
149.13254	10.5
151.14784	4.5
153.12723	2.5
163.06001	22.3
163.14758	5.7
165.16394	4.1
177.16344	2.1
185.15431	1.4
191.17932	1.8
199.17033	1.2
205.19328	1.1
227.20251	1.2
247.24194	30.8
248.24437	2.1
265.25247	87.6
266.25739	2.7
283.26285	22.0
335.25360	1.2
339.28915	100.0
340.29141	3.6
357.29956	72.9
358.30316	2.8
391.81595	1.1
501.34216	5.1
506.40988	1.1
698.43726	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	699.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
51.02379	1.1
53.03699	0.3
53.03942	4.1
55.01859	0.5
55.05507	0.2
57.03409	0.2
61.02913	0.5
65.03916	0.4
67.05492	0.5
67.56168	0.1
68.99794	0.3
69.03417	1.8
69.07053	0.3
70.06577	0.5
70.42780	0.3
70.43164	0.3
71.04982	0.3
72.08142	0.5
73.02901	0.3
77.03906	1.3
77.81100	0.2
79.05473	0.6
81.03404	1.6
81.07046	0.6
82.09941	0.2
83.01351	0.2
83.04977	0.2
85.02891	1.3
86.09682	0.2
91.05486	0.8
93.07040	0.5
95.04961	12.9
95.08595	0.5
97.02891	1.3
97.06502	0.2
98.35189	0.1
99.04429	0.4
103.03947	0.4
105.03383	100.0
105.04527	2.5
105.07017	0.7
106.03709	0.6
107.04951	0.4
107.08553	0.3
109.02863	1.0
109.06466	0.2
111.04401	0.3
115.05466	0.2
119.04923	1.5
119.08573	0.3
121.02859	5.8
123.04453	0.8
125.06018	0.2
127.03904	3.3
131.04941	0.3
131.08603	0.2
133.06493	0.2
133.10146	0.4
135.04391	0.5
135.08043	0.2
137.05952	0.4
139.03955	0.2
145.02829	0.9
145.04988	0.2
147.04381	1.3
147.11667	0.2
149.05954	0.2
151.03932	0.3
151.07552	0.3
153.01813	0.2
159.04407	0.2
161.02299	0.2
161.05995	0.3
163.03873	1.0
163.07590	0.2
167.03444	0.2
167.07025	1.2
173.02345	0.3
175.03891	0.6
177.01854	0.3
177.05458	0.4
179.03397	0.4
181.04964	0.6
187.03900	0.4
187.07555	0.2
189.01811	1.1
189.05467	0.9
191.03404	2.5
193.05098	0.2
195.02878	0.3
200.47882	0.2
201.01874	0.4
201.05447	0.2
203.03394	0.7
205.05005	0.4
207.02824	1.7
207.06473	0.4
209.04462	1.3
215.03383	0.4
217.04926	0.4
219.02907	2.1
221.04491	0.4
223.07726	0.2
229.04976	0.4
231.02908	0.4
231.06479	0.5
233.04474	0.3
237.03867	0.4
239.07036	0.3
249.07530	0.5
251.06972	0.3
257.04504	0.2
263.06934	0.2
265.04965	0.2
267.08670	6.7
268.07321	0.7
269.07999	0.4
271.06079	0.3
279.06540	1.4
280.07251	0.5
281.07971	1.3
283.05978	0.5
284.06891	0.3
291.06454	0.5
292.07462	0.2
293.08130	0.4
294.05197	3.9
295.05981	5.6
296.06757	0.5
297.07501	0.8
307.05975	15.2
308.06689	4.0
309.07532	10.6
310.07968	0.3
313.06979	1.2
317.07916	0.2
319.06015	2.6
320.06778	0.5
321.07510	3.3
321.11145	0.2
322.08334	0.6
323.05505	0.4
323.09113	0.4
325.07031	4.5
333.07748	1.1
335.05493	0.6
335.09286	0.6
336.06378	0.5
337.07025	29.0
338.07297	0.5
339.04889	0.3
339.08688	0.7
345.07516	0.4
346.08215	0.2
347.05359	0.2
347.09137	2.8
349.07043	2.7
351.05478	0.2
351.08719	1.7
355.08167	0.4
361.07028	3.4
361.11087	0.4
363.08713	0.6
365.06296	0.2
365.10330	0.3
367.08197	1.5
373.07077	0.6
375.08682	1.6
379.08102	4.2
385.06882	0.2
391.08066	3.3
393.09717	0.4
397.09082	0.2
403.08026	3.0
409.09085	1.2
411.09772	0.2
413.10156	0.5
415.09824	0.4
417.09482	0.3
421.09094	4.4
427.10297	1.0
429.11908	1.0
433.10910	0.6
439.10202	7.2
441.09677	0.5
445.09216	0.4
457.11264	27.5
458.11566	0.5
459.10745	6.8
460.10370	0.3
463.10233	0.6
469.10956	0.2
481.11365	2.0
483.10959	0.2
493.11255	0.3
499.12283	1.9
505.11304	0.5
511.12399	0.6
523.12262	1.4
525.11566	0.2
529.12988	0.2
537.13861	0.4
541.13190	1.5
543.12762	0.7
559.14435	1.5
561.13855	11.7
562.14008	0.3
577.15643	1.7
579.14911	20.6
580.15143	0.7
617.39545	0.2
645.15906	0.2
663.16895	0.7
681.18152	2.5
698.36884	0.2
699.18677	4.2
699.38062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01853	2.2
55.05506	5.3
57.03429	4.5
57.07055	2.0
59.05010	0.6
59.97311	0.5
61.83765	0.5
65.03918	0.5
67.05169	0.7
67.05499	9.8
69.03417	1.2
69.06716	0.7
69.07063	10.9
69.82387	1.3
69.82813	2.2
71.01350	9.3
71.04987	37.1
71.08607	0.9
73.02897	0.7
75.04474	4.4
78.02274	0.4
79.05485	4.7
81.03407	0.7
81.06570	1.1
81.07050	22.4
83.04969	2.1
83.08611	5.6
83.44206	0.5
85.02898	52.5
87.04464	1.0
91.05476	4.9
93.07034	13.9
95.04952	0.9
95.08597	45.1
97.02900	0.6
97.10162	2.9
99.04426	1.4
101.02370	20.1
103.05416	0.5
105.07024	13.2
106.49146	0.5
107.08586	22.6
109.02834	1.2
109.10143	29.8
111.04417	1.9
111.11696	2.3
115.05441	0.5
117.06995	2.1
119.08574	20.3
119.67479	0.5
121.06482	0.5
121.10129	21.5
123.04425	3.4
123.08065	0.7
123.11700	14.4
127.03905	11.7
129.05472	17.4
129.06949	0.9
129.42332	0.5
131.08546	4.5
133.10120	16.1
135.11691	12.9
137.13257	7.1
143.08537	2.1
145.04947	56.2
145.10110	7.6
147.04395	0.8
147.06516	6.9
147.11676	12.6
149.06001	1.0
149.13235	10.9
151.14815	1.5
153.05388	0.7
157.10146	2.6
158.10855	0.8
159.10425	0.9
159.11685	10.3
160.12354	0.9
161.13246	15.8
163.14830	5.5
167.07047	1.0
169.04962	0.6
171.11656	2.1
173.13239	5.6
175.14819	7.1
177.05463	0.8
177.16383	12.8
179.17958	2.7
185.13289	2.1
187.14822	4.9
189.14746	1.1
189.16371	15.9
191.17918	11.3
199.14803	2.0
201.16356	11.9
203.17928	14.4
205.19476	6.0
213.16328	1.6
215.17932	7.3
217.19493	24.6
219.21159	1.1
227.17993	2.8
229.19511	7.2
231.21014	1.7
241.19534	2.1
243.21095	3.9
245.22635	1.4
255.08597	1.2
255.21094	6.6
257.22552	4.4
269.22571	6.2
271.24228	2.4
273.09625	2.3
283.24158	1.8
291.10651	1.6
297.25757	4.0
309.25732	1.2
323.27402	1.2
361.10391	0.9
364.31299	0.8
365.31720	0.8
379.11740	1.8
407.36685	100.0
408.37048	1.3
413.17639	0.8
453.21350	0.5
464.10684	0.6
471.21860	4.3
492.27527	0.5
519.91455	0.6
535.23407	1.0
567.30908	1.0
625.31647	3.2
651.33289	0.7
697.37415	7.3
698.36188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
55.05504	6.3
56.29856	0.8
57.03435	6.0
57.07069	3.6
59.04998	0.8
61.02908	2.6
62.02107	0.6
67.05499	14.9
69.03414	2.1
69.07059	13.8
71.00122	1.6
71.00458	0.8
71.01349	9.4
71.04988	35.5
73.02905	2.1
75.04466	3.4
79.05475	6.0
81.03408	1.1
81.07050	27.3
83.04965	3.7
83.08614	7.9
85.02898	58.1
87.04462	1.1
91.03983	0.9
91.05467	7.3
93.07034	15.9
95.04958	1.9
95.08601	49.1
97.02872	3.1
97.10163	4.6
99.04444	1.9
101.02370	19.6
105.07019	17.4
107.07852	1.5
107.08581	23.8
109.02853	0.8
109.10144	32.7
111.04414	2.0
111.11698	2.9
117.07033	2.0
119.08568	21.4
121.06536	0.9
121.10132	24.2
123.04441	3.6
123.11691	16.1
127.03899	14.8
129.05469	18.2
129.06947	1.1
131.08571	5.6
133.10121	20.2
135.11671	13.5
137.13237	8.0
143.08505	2.4
145.04945	54.8
145.10107	9.2
146.05399	0.8
146.10857	0.9
147.04459	1.1
147.06520	6.5
147.11693	14.7
147.97383	0.7
148.85558	0.8
149.13239	12.1
151.14848	2.1
157.10118	2.8
159.11678	9.6
161.13243	17.9
163.07526	0.8
163.14809	5.8
171.11679	3.0
172.12515	0.7
173.13235	7.4
175.14784	8.3
177.16377	12.5
177.17813	1.4
179.17918	3.3
185.04247	0.8
185.13245	2.4
187.14812	6.3
189.09079	0.8
189.16368	13.7
191.17934	14.1
199.14798	2.9
201.16370	12.7
203.17929	16.9
205.08635	0.8
205.19516	8.2
213.16403	2.1
215.17909	6.5
217.19495	25.1
219.21078	1.0
227.17908	3.1
229.19464	8.4
231.21083	2.8
234.76654	0.7
241.19461	2.3
243.21115	4.1
245.22659	1.0
255.08536	1.2
255.21051	9.4
257.22614	5.0
267.15933	1.0
269.22589	7.8
271.24243	2.2
273.09708	2.5
275.05984	0.7
283.24182	2.3
291.10681	1.2
297.25742	3.8
309.25763	1.3
311.27368	1.1
320.31226	0.7
323.27267	1.7
325.07129	1.0
360.08731	0.7
361.10672	1.1
364.31412	1.0
365.14273	0.9
379.11801	2.2
407.36688	100.0
408.36993	2.4
413.17838	2.3
453.20932	2.5
517.22626	1.0
535.28918	1.1
567.31238	1.7
596.31927	1.1
625.31891	11.9
626.32159	1.7
651.33215	3.1
697.36139	18.2
698.36334	2.1
716.19739	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01865	1.0
55.05495	0.7
57.03433	1.4
57.43568	0.2
58.06569	0.2
59.04971	0.3
61.02920	0.9
67.01868	0.3
67.05499	0.4
68.99783	0.2
69.03420	5.8
69.07063	0.2
70.06573	0.6
71.01337	0.4
71.04984	2.8
71.62991	0.3
72.08158	1.1
73.02498	0.2
73.02907	3.7
75.04490	0.2
79.05482	0.2
81.03410	8.4
83.04973	1.3
84.08121	0.7
85.02896	17.5
85.06531	4.0
86.03229	0.4
86.09708	0.3
87.04460	0.9
87.96827	0.2
91.05483	0.5
95.04957	0.6
97.02881	8.6
98.06036	0.3
99.04444	13.2
101.06013	0.2
103.03932	6.9
103.07551	0.6
105.07031	0.3
107.04948	0.6
109.02869	15.8
110.02386	0.2
110.03737	0.2
111.04414	0.5
115.03901	0.6
117.05489	0.2
119.04932	0.9
121.02858	2.4
121.08559	0.2
121.10148	0.2
123.04414	0.6
124.07549	0.2
124.76245	0.2
125.02349	0.4
125.05945	0.2
127.03902	100.0
128.04224	1.1
128.10565	0.2
129.05467	0.6
131.04935	0.2
131.06992	0.2
133.06459	0.5
133.10229	0.2
135.04405	0.2
137.02379	0.2
137.05957	0.4
138.05502	0.3
139.03876	0.4
140.07033	0.3
141.83180	0.2
144.06610	0.2
145.02998	0.4
145.04945	10.8
147.04390	1.7
147.06413	0.2
151.03896	0.8
153.01819	5.5
153.05351	0.2
154.02161	1.3
157.04944	0.6
157.06328	0.2
159.08058	0.2
161.06052	0.3
163.03912	0.4
163.05980	3.0
167.07065	0.7
169.04936	1.5
171.02893	2.6
171.04320	0.2
172.03191	0.5
175.03938	0.2
177.05408	0.4
179.03380	2.2
180.03674	0.9
181.05014	0.2
185.05989	0.8
186.06331	0.3
187.06006	4.7
187.07655	0.3
189.05421	0.4
191.03375	0.6
191.06952	0.3
192.03909	0.2
193.05019	0.6
195.02867	0.4
199.06059	0.2
203.03368	0.6
205.04938	0.6
205.07068	1.8
205.08717	0.3
207.02937	0.5
207.06496	0.4
209.04562	0.2
209.08118	0.8
211.06067	0.7
211.09676	0.7
215.03423	0.3
217.04921	0.4
219.02913	0.3
221.04385	0.2
223.14328	0.2
227.08911	0.2
229.05002	0.3
229.06984	1.0
229.10733	0.3
231.06532	0.4
233.04495	0.4
235.06006	1.2
235.14304	0.3
241.04868	0.2
243.02872	0.2
245.04471	0.2
245.10213	0.4
247.08145	0.5
247.14430	0.3
253.07053	3.3
256.35638	0.2
271.08109	7.5
279.06558	0.3
281.04367	0.2
281.07819	0.2
283.06009	0.5
289.09198	4.4
289.12457	0.4
290.15952	0.2
291.06561	0.2
291.13495	0.2
292.07202	0.2
293.07776	0.2
294.05240	0.7
295.05933	3.9
296.06595	0.4
297.07526	0.4
305.08264	0.2
307.06009	2.8
307.10040	0.6
307.13538	0.2
308.06888	0.9
309.07501	1.1
310.07629	0.2
313.09311	0.5
319.06110	0.5
320.06735	0.6
321.07468	2.8
322.08145	0.5
323.05597	0.2
323.09204	0.5
325.06995	3.2
331.06195	0.2
331.10202	0.5
333.07516	1.3
334.08334	0.4
335.05420	0.3
335.08929	1.2
336.06226	0.3
337.07010	2.7
339.08511	0.4
345.07559	0.9
347.09189	0.6
349.07095	3.7
349.11206	0.4
350.07629	0.2
351.08426	1.2
355.08212	0.6
357.09698	3.2
358.09979	4.3
359.09332	0.3
361.07010	1.8
361.10669	0.2
362.07312	0.2
363.08478	1.5
365.06259	0.2
367.08206	0.6
373.07068	0.9
373.11127	0.4
375.08438	0.8
379.07877	3.8
380.08514	0.3
387.08710	0.4
388.14020	0.4
389.10117	0.3
389.14301	0.7
391.08069	3.9
392.08661	0.2
393.09286	0.4
397.11417	1.5
403.08044	1.3
405.09653	0.5
409.09174	2.8
415.07895	0.6
415.12488	3.6
417.09750	0.8
421.09131	0.7
427.10364	2.7
428.09625	0.2
433.08948	1.4
433.14157	2.4
445.09131	1.3
451.09290	0.9
451.15439	0.3
457.10931	0.5
463.10242	0.8
469.11240	0.7
475.12061	0.2
481.11203	2.2
487.10922	0.3
499.12210	0.9
511.12085	1.0
517.13184	0.2
529.13458	1.0
535.20850	0.3
541.13800	0.8
547.14453	1.7
550.19067	0.7
551.19562	2.8
559.14410	1.2
565.14850	0.4
571.14459	1.1
577.15491	0.9
589.15491	1.1
595.14557	0.3
601.15558	0.3
607.16113	0.7
613.15778	0.8
625.15814	0.3
631.16431	2.1
643.16547	3.2
661.17560	3.6
662.17731	0.3
679.18463	1.6
680.18713	0.3
697.24835	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	697.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	5.9
57.03414	2.5
61.02913	3.1
62.25801	1.0
65.03926	1.7
66.22552	1.1
68.99774	1.1
69.03429	6.4
70.06577	4.9
71.04976	1.8
71.62695	1.8
72.07863	0.9
72.08154	10.6
73.02906	2.4
79.05492	1.1
81.03410	3.5
83.04984	1.9
84.04503	1.4
84.08121	3.8
85.02905	13.8
85.06527	1.4
86.06086	1.8
86.09690	1.5
89.10733	1.2
91.03935	1.1
91.05447	3.1
93.07042	1.0
95.04937	1.5
97.02879	7.0
97.06522	1.0
99.04443	3.3
103.03893	1.6
105.07014	1.7
107.04951	2.3
109.02869	5.0
111.04433	1.9
119.04945	8.6
121.02862	37.9
125.16644	1.1
127.03909	22.4
131.04916	1.5
137.05951	1.7
145.02838	5.7
145.04932	2.9
147.04407	12.9
148.04774	1.4
148.42786	1.2
149.59892	1.0
153.01808	4.5
161.06001	1.7
163.03912	2.3
167.06938	2.4
171.04469	1.2
173.06015	1.4
175.03870	1.7
177.05478	2.9
179.03384	1.8
181.04878	1.1
187.03964	2.6
189.01825	3.8
189.05420	1.8
191.03365	4.6
195.02905	4.2
203.03397	12.1
205.04977	1.9
207.02866	6.2
207.06636	1.2
213.05484	2.2
215.03421	5.2
217.05005	6.0
219.02948	3.8
221.04376	5.6
225.03825	1.6
227.03355	1.4
229.04962	2.4
231.02831	2.6
233.04453	5.1
235.14417	1.7
241.04877	1.9
243.02878	3.5
245.04469	3.6
255.02699	1.4
255.06479	1.3
257.04443	2.3
261.03796	2.1
268.07336	1.9
269.04440	2.0
271.05789	2.3
271.08423	1.9
273.03906	3.2
279.06525	4.6
280.07208	2.1
281.04459	1.6
281.08002	4.4
283.05954	4.7
287.05466	1.7
291.06464	2.2
292.07187	3.1
293.07980	2.9
294.05194	16.2
295.05984	62.0
296.06628	5.0
297.04352	1.5
297.07559	7.5
303.06592	1.6
305.08102	3.3
306.08850	3.4
307.06018	49.2
307.09335	2.1
308.06714	15.8
309.04126	2.4
309.07550	18.4
312.09567	1.2
313.07141	4.2
317.08142	6.2
319.05972	6.6
320.06763	9.5
321.07562	55.9
322.08185	7.9
323.05386	3.2
323.09137	8.7
325.07050	51.8
329.08188	5.2
331.06009	3.4
333.07529	28.1
334.08136	7.0
335.05392	1.7
335.09113	20.4
336.06277	4.9
337.07031	51.0
337.11115	2.5
339.08670	6.8
344.06754	1.4
345.07513	18.6
347.09125	9.4
349.07056	58.7
349.11255	3.2
350.07620	2.7
351.08585	26.1
355.08124	6.8
358.10049	3.0
359.09253	7.1
361.06989	33.3
361.10648	2.5
362.07675	3.7
363.08630	31.8
365.10526	1.7
367.08112	14.2
371.09045	3.0
373.07053	20.1
373.17337	1.5
375.08682	17.0
377.10147	4.1
379.08102	84.5
380.08405	4.7
381.09695	1.7
385.08926	2.4
387.08569	11.4
389.10266	3.9
391.08102	80.7
392.08679	1.4
393.09610	4.5
397.09152	9.3
399.08746	5.9
403.08102	23.3
405.09656	14.3
409.09192	39.0
415.08081	19.8
417.09818	10.9
421.09125	11.5
427.10345	23.5
433.09183	49.3
436.77530	1.5
439.09924	2.2
445.09207	26.4
451.10233	27.0
457.10886	1.4
463.10190	17.7
469.11307	11.4
481.11282	48.0
487.12033	3.0
499.12411	15.6
511.12177	3.6
517.13580	6.9
541.13367	9.1
547.14160	4.8
551.19464	2.6
551.77362	1.4
553.13068	3.8
559.14410	28.5
560.14709	1.5
565.14270	1.4
571.14465	29.8
572.15356	2.0
577.15509	5.6
583.14886	1.3
589.15460	32.9
595.14087	2.3
607.16345	17.2
613.15466	24.2
625.15533	5.8
631.16583	63.2
632.16718	2.8
643.16504	90.4
644.16901	3.6
661.17627	100.0
662.17682	4.5
679.18646	44.8
680.19080	1.7
697.19348	20.7
697.30957	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	696.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05495	0.6
57.03432	0.4
59.04987	0.9
61.02911	0.7
62.56439	0.3
67.05502	0.6
69.03429	1.9
69.07052	0.7
70.06590	2.2
71.04984	1.3
72.08149	3.7
73.02907	2.2
73.06551	3.0
74.06110	0.3
79.05481	1.0
81.03410	1.3
81.07050	1.2
83.04977	0.4
84.04475	0.3
84.08128	1.1
85.02897	2.5
85.06501	0.3
86.09700	0.7
87.04459	16.5
88.55688	0.3
89.06021	100.0
89.10773	0.6
90.06350	0.6
91.05446	1.4
91.07581	0.8
93.07057	0.6
94.06556	1.9
95.04953	0.9
95.08566	0.7
96.04578	0.3
96.08111	0.4
97.02881	2.4
97.06534	0.6
98.06031	0.9
98.09655	0.5
99.04443	0.6
103.05450	0.5
105.07021	0.8
107.04951	0.9
107.07058	5.7
107.08569	0.9
108.04529	0.4
109.02840	1.4
109.06583	0.5
109.10143	0.5
110.06065	0.8
111.06368	0.4
112.07597	0.4
113.05986	0.6
115.07548	0.5
117.09084	1.9
119.04932	1.8
119.08582	0.8
121.02830	0.6
121.06512	0.5
121.10138	0.6
122.05985	0.4
123.04396	0.8
123.08075	0.3
124.07626	0.5
126.09220	0.5
127.03894	4.2
128.04242	0.3
129.10168	0.3
130.08630	2.4
131.04956	0.6
131.07036	5.0
131.08569	0.7
133.08588	63.0
134.04485	0.3
134.08926	1.0
135.04454	0.3
135.10124	0.4
136.07632	0.3
137.05972	1.2
138.05487	9.5
138.06520	0.6
139.05814	3.3
140.05943	0.8
140.07021	0.5
141.29294	0.3
145.02859	0.9
145.05017	0.3
147.04390	6.3
148.04774	0.5
149.06012	0.6
151.03909	0.4
151.09628	0.5
152.06946	0.4
159.10234	0.4
161.05986	1.0
161.11769	0.8
163.03888	0.7
166.04836	0.3
167.07022	3.5
168.07542	0.4
173.05989	0.6
175.03889	0.5
175.07434	0.4
175.09648	3.7
175.14825	0.4
177.05380	1.5
177.11201	24.6
178.11598	0.4
179.12854	0.7
181.04906	0.5
193.08600	0.4
193.10825	0.5
198.42671	0.3
201.05542	0.3
207.06531	0.6
207.13734	0.3
213.05655	0.4
218.11816	0.3
219.01811	0.3
219.12299	1.6
221.13805	4.2
223.15524	0.5
239.11911	0.4
239.14857	1.4
265.16574	0.9
267.11151	1.0
271.05981	2.1
272.06345	1.2
283.06128	0.4
283.17511	2.5
285.07562	0.7
309.19000	0.8
313.11902	1.6
314.11960	1.9
327.19907	1.8
341.11197	0.6
342.11874	0.8
353.21506	0.6
360.12570	0.4
362.07776	0.4
371.22668	0.8
373.13898	3.5
374.14227	5.0
380.08789	0.9
381.09122	2.1
382.09436	1.7
395.11057	1.7
396.11453	1.9
397.11975	2.0
397.24496	0.6
403.26141	0.3
415.25391	0.7
453.74628	0.3
459.27948	0.5
486.15536	0.4
487.16000	0.6
488.15848	1.8
492.10175	0.4
518.14447	0.5
519.14105	1.5
532.15948	1.4
533.16254	2.5
534.16602	6.5
535.17126	0.5
535.29962	1.7
564.33673	0.4
627.20782	0.4
635.38251	0.7
679.41052	4.5
696.21722	21.8
696.32172	1.1
696.42889	1.4
697.21442	2.1
697.35352	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	696.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03920	0.9
54.98943	0.4
55.01874	1.0
55.05508	14.0
56.40063	0.4
57.03433	6.4
57.07074	7.9
57.85575	0.4
61.02922	23.4
61.69593	0.5
65.03934	1.3
67.05500	57.1
69.03419	3.1
69.07063	21.2
69.07450	0.7
69.39073	4.7
71.04986	1.3
71.08625	4.7
72.41561	0.4
73.02911	9.8
75.04488	0.9
77.03951	0.4
79.05482	15.0
81.03407	1.2
81.07050	72.3
83.04967	1.5
83.08615	16.2
83.09109	0.9
84.23132	0.6
85.02898	26.7
85.06533	2.3
85.10159	2.2
87.04446	0.5
91.03391	1.1
91.03954	21.5
91.05472	11.3
93.06458	1.0
93.07038	19.0
95.04967	1.2
95.08598	61.8
96.50913	0.5
97.02885	12.0
97.06519	6.1
97.10162	10.9
98.20635	0.6
99.04449	1.8
99.08086	3.8
103.03929	0.6
105.07018	8.4
107.08585	14.7
109.02831	0.7
109.06523	1.2
109.10148	34.5
111.08053	3.6
111.11729	3.9
113.09629	1.5
115.03882	1.2
117.07006	0.7
119.08570	10.9
119.09427	0.5
121.10139	18.5
123.04425	1.8
123.08099	1.3
123.11699	16.3
125.09617	1.9
125.13287	1.3
127.03900	9.0
127.11182	1.5
129.09082	0.6
131.08638	0.5
133.10120	14.2
135.11679	11.8
137.09647	2.0
137.13239	7.7
137.14233	0.7
139.11140	1.4
139.14885	0.5
141.12709	2.6
145.04950	11.3
145.10173	0.5
147.11676	9.9
147.12767	0.8
149.13239	10.8
151.11192	1.7
151.14803	5.9
153.12740	1.2
155.14285	3.2
161.13242	10.6
163.06012	18.2
163.14809	10.8
165.12781	1.5
165.16397	8.8
167.14330	0.8
175.14810	9.0
177.16388	2.1
179.14287	1.3
179.17943	7.2
181.15852	1.3
187.14694	0.5
189.09026	0.7
189.16353	4.8
193.15819	0.9
203.17915	1.8
204.08638	0.8
207.17453	1.2
217.19560	1.3
221.22559	0.6
245.22636	61.1
246.23029	0.8
263.23682	100.0
264.23981	1.4
265.25226	2.1
281.24817	2.9
337.27341	65.9
338.27600	0.8
355.28403	17.5
356.28760	0.5
463.30441	0.6
481.31360	0.8
499.32632	7.5
661.37836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01858	0.7
55.05490	0.8
57.03430	2.0
58.06587	0.3
59.04977	0.5
61.02919	0.4
65.95827	0.2
68.99786	0.6
69.03419	2.0
70.06577	0.6
71.04987	9.2
71.40074	0.5
72.04502	0.5
72.08134	0.9
73.02904	1.7
75.04469	0.7
79.05479	0.5
81.03400	2.0
82.06547	0.5
83.04984	1.6
84.04499	0.3
84.08134	2.1
85.02896	16.2
85.06483	0.4
86.06055	0.6
87.04454	0.7
91.05479	0.6
95.04963	1.7
95.08572	0.3
97.02881	2.6
98.06036	0.9
98.09637	0.3
99.04438	2.4
101.05996	0.9
103.03928	1.2
103.05442	0.4
105.06987	0.5
107.04935	1.2
108.04433	0.3
109.02863	4.7
110.03185	0.4
111.04419	0.8
115.03864	0.3
119.04913	1.1
120.98059	0.2
121.02853	1.1
121.06474	0.5
123.04399	1.2
123.08022	0.4
124.07568	0.9
125.05947	0.3
127.03906	11.6
128.04260	0.6
128.10709	0.5
129.05486	2.8
133.06467	0.5
135.04451	2.1
137.05960	0.5
138.05449	0.3
145.04930	1.3
146.11769	0.4
147.04405	5.2
147.06465	1.1
149.05969	0.6
151.03818	0.5
152.07060	2.5
153.01790	0.5
153.05467	1.2
161.05957	1.0
163.03889	6.0
163.05983	0.3
164.07016	0.3
165.01720	0.6
167.07047	0.9
170.08099	1.5
173.05899	0.3
175.03912	0.5
177.00406	0.5
177.01807	4.4
177.05490	0.8
179.03360	0.7
181.04904	0.6
183.02864	1.0
187.05954	0.3
191.03374	100.0
192.03697	1.8
193.08577	0.4
195.02878	12.6
203.03397	0.4
205.04955	0.9
207.03017	0.3
209.04434	4.9
209.08026	0.4
215.03450	0.5
217.04947	0.6
219.02864	21.2
232.05997	0.9
233.04430	5.1
237.03917	58.8
238.04289	0.8
250.07086	0.4
251.05455	0.3
269.07950	1.3
271.08139	0.5
272.14758	0.3
273.07483	0.5
285.07605	1.4
289.09320	0.4
290.15988	1.4
295.05927	0.6
297.07526	0.6
307.05927	0.3
308.16980	0.3
309.07440	0.3
311.09106	10.8
315.08600	0.3
321.07318	0.4
335.09076	0.7
337.07013	0.6
338.14520	0.3
339.08621	3.2
349.07068	0.4
352.11740	1.9
353.10098	1.4
357.09650	93.7
358.09973	2.1
363.13379	0.3
370.12863	4.6
372.14273	0.3
379.08411	0.7
384.14218	0.7
391.08060	0.6
402.15500	0.5
427.10007	0.4
481.10779	0.3
485.14709	0.6
516.17896	0.3
532.18298	0.7
631.16644	0.4
678.24036	1.5
696.23395	0.9
696.31995	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01244	0.2
55.05488	0.3
56.96512	10.8
56.96820	0.7
57.03393	0.3
67.05460	0.5
69.03366	0.8
69.07027	0.5
69.98087	1.2
71.04928	0.7
71.95209	0.8
72.95988	0.4
74.97550	0.6
79.05492	1.3
81.03360	0.9
81.07047	4.1
83.04925	0.6
84.95983	0.4
85.02902	1.4
91.05450	0.6
93.07000	0.4
95.08549	0.7
97.02867	0.5
97.06481	0.4
97.09192	0.3
97.96787	0.6
98.97530	0.4
105.06964	0.8
107.04968	0.3
107.08511	0.7
109.02831	0.5
109.06433	0.2
109.10108	0.4
110.97580	0.5
115.97800	0.3
116.98521	0.4
119.08488	0.6
121.10052	0.4
123.01117	0.3
123.04343	1.0
124.03895	0.2
125.09602	0.2
127.03835	1.0
128.98558	1.3
131.04936	0.3
131.08540	0.3
133.10181	0.3
133.98811	0.4
135.04379	0.2
137.02620	0.3
137.05913	0.5
141.02180	0.3
145.01697	0.2
145.10150	0.2
146.99634	1.9
147.03284	0.4
147.04370	0.6
147.11620	0.4
151.07457	0.4
153.01839	1.2
153.05396	0.3
155.03683	0.9
157.01649	0.3
159.03204	0.3
161.01118	0.6
161.04742	0.3
163.03928	0.3
163.07430	0.3
165.00681	0.3
167.06918	0.8
169.05235	0.4
171.03194	1.1
173.04802	1.0
175.07535	0.4
177.05450	0.4
179.03601	0.3
181.05237	0.3
183.03186	0.4
185.04817	1.3
185.50839	0.2
187.02754	0.4
187.06369	0.7
189.04305	0.9
189.09001	0.3
191.05859	0.6
195.02989	0.5
195.06897	0.7
197.04890	0.4
197.08359	0.4
199.06425	1.8
201.04155	0.4
201.07771	0.3
203.05849	2.1
205.05435	0.3
205.07339	1.1
207.06668	0.4
211.06366	0.8
213.04453	0.3
213.07941	6.5
215.05815	0.3
215.09406	0.4
216.06642	0.4
217.07411	3.9
221.08597	0.5
223.02744	0.4
223.06371	0.4
223.08466	1.6
223.09715	0.2
223.10297	0.3
225.07951	2.4
225.11324	0.3
226.05095	0.3
227.05914	0.4
227.09473	0.7
229.07477	2.2
231.09018	11.1
236.09641	0.6
237.04449	1.1
237.07872	1.5
239.09465	3.0
241.07410	0.4
241.11143	4.2
242.08232	0.6
243.06683	0.2
243.09036	3.9
245.06895	0.4
245.10655	0.3
247.08501	1.7
249.07784	0.4
251.05676	0.4
251.09506	4.5
253.11081	1.1
254.10612	0.5
255.05382	0.4
255.06068	0.3
255.09003	7.5
257.10593	2.7
259.09744	0.3
259.12152	6.2
260.09378	0.7
261.07690	0.4
261.10172	1.4
262.11157	0.4
264.12741	0.3
266.10519	0.3
267.09055	0.7
269.10587	30.7
270.10983	0.7
271.12097	1.0
273.07187	0.5
273.10068	6.4
275.11652	0.3
278.10651	0.6
279.08990	2.1
280.09738	1.7
281.10449	0.4
282.13544	0.3
285.07468	0.5
285.10397	0.6
287.11646	17.8
288.12057	0.3
289.14661	0.4
292.12167	3.3
296.11835	0.3
297.10065	3.9
298.10809	2.1
299.11777	0.3
301.07129	0.3
307.15735	0.5
310.13257	1.3
313.14664	0.7
315.11264	1.9
316.11978	0.6
325.07031	0.3
325.16647	0.4
331.15775	8.1
337.16733	0.3
338.12646	0.3
349.16843	19.0
350.17313	0.4
367.17889	100.0
368.18127	1.8
369.74179	0.3
372.18509	2.3
377.10013	0.4
379.11731	0.5
385.18948	24.7
386.13223	0.3
386.19458	0.4
387.13562	0.5
390.19574	0.9
393.13324	1.0
408.20547	10.8
409.20511	0.4
411.14163	0.5
416.97656	0.2
457.88812	0.2
513.23663	0.2
579.31921	0.3
583.08124	0.2
651.37030	0.5
677.39496	0.6
695.40436	21.6
696.23218	0.4
696.40552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03938	0.9
55.01867	1.1
55.05282	0.3
55.05509	2.6
57.03436	2.4
57.07059	0.5
65.03929	0.7
66.63283	0.2
67.01522	0.3
67.01862	5.0
67.05501	9.3
68.99774	2.4
69.03065	0.3
69.03421	4.2
69.07062	2.3
69.88763	0.9
69.89174	0.8
71.01364	0.3
71.04977	0.7
73.02927	0.6
79.05050	0.5
79.05486	7.3
81.03413	8.7
81.07050	10.6
83.01315	0.5
83.04971	1.0
83.08613	1.6
85.02895	8.0
85.06501	0.3
87.04461	0.3
91.04952	0.5
91.05474	6.1
93.02878	0.3
93.07034	9.1
93.13159	0.3
95.04955	2.5
95.08598	7.2
97.02884	4.2
97.06508	0.8
97.10156	0.8
98.21390	0.5
99.04442	0.9
103.03925	0.6
103.05422	0.4
105.03361	0.3
105.07020	4.8
107.04951	2.6
107.08580	4.4
108.37720	0.2
109.02872	3.6
109.06498	0.7
109.10147	3.9
111.00798	0.7
111.04431	1.0
111.08058	0.4
111.26221	0.3
115.05450	0.6
117.07015	2.0
119.04939	5.3
119.08562	3.7
121.02859	1.5
121.06507	3.0
121.10122	4.3
123.04406	3.3
123.08087	0.3
123.11703	1.3
125.02339	1.7
125.09677	0.4
127.03929	2.5
129.01823	0.9
129.05487	0.5
129.06989	1.0
131.04880	0.6
131.08559	4.5
133.06468	0.6
133.10098	2.7
135.04395	0.7
135.08035	0.6
135.11661	2.5
137.02347	0.3
137.05986	0.3
137.09613	0.3
137.13254	0.5
141.01775	0.3
141.05424	0.3
141.06941	0.4
142.07690	0.2
143.08534	0.9
145.10110	2.7
147.04395	24.5
147.11673	2.0
149.02327	0.8
149.05942	0.5
149.09624	0.5
149.13249	2.1
151.03906	1.9
151.11156	0.5
153.01813	56.9
154.02139	0.6
154.05313	0.3
155.08499	0.5
157.06520	0.3
157.10075	1.0
159.04402	0.3
159.08054	0.3
159.11658	2.1
161.09665	0.5
161.13251	1.4
163.03918	1.4
163.07442	0.3
163.11176	0.4
163.14857	0.4
165.01825	4.8
167.03410	0.8
167.08517	0.4
169.10080	0.4
171.02872	61.6
171.11717	0.7
172.03258	0.4
173.11868	0.4
173.13228	1.9
175.03931	0.3
175.14891	0.6
177.00259	0.3
177.01813	5.2
177.05499	0.4
177.12726	0.3
179.03391	2.3
183.02895	6.8
183.11693	0.8
185.13269	0.4
187.03886	1.2
187.11185	0.4
187.14812	0.9
189.01762	0.7
189.05458	0.6
191.03365	6.0
191.14461	0.3
193.01311	0.4
193.05000	1.2
193.12180	0.4
195.02872	39.1
196.03137	0.5
197.00941	0.4
197.13312	0.5
199.11179	0.5
199.14694	0.4
201.12808	0.3
201.16345	0.5
203.03276	0.3
205.04948	1.0
205.12140	0.3
207.02850	1.2
207.06444	0.3
209.00890	0.3
209.04369	1.3
209.13297	0.4
211.14813	0.3
213.03877	0.8
213.16386	0.4
215.03394	2.7
217.01299	0.5
217.04860	0.4
219.02863	7.4
221.04324	0.5
225.12761	0.3
231.02904	0.7
231.06531	1.2
233.04390	1.6
237.03918	1.0
241.19476	0.4
243.02850	2.4
243.21106	0.9
245.04427	1.1
249.03873	0.4
255.06360	0.4
259.20636	0.8
261.03912	12.6
261.22086	2.6
263.05441	0.4
271.05954	2.2
271.20532	0.4
272.06354	1.5
273.07544	100.0
274.07813	1.6
277.21524	0.6
279.05048	1.7
279.23251	0.5
285.07532	3.4
287.20093	0.3
289.21548	0.3
291.23044	0.5
297.07565	8.1
301.21600	0.5
303.23080	1.1
309.07312	0.4
313.10590	0.6
315.08594	12.5
315.23151	0.3
317.24930	0.4
327.12253	0.5
327.23279	0.4
339.08575	7.6
341.24707	0.3
345.24045	0.3
351.23224	0.6
363.08618	4.4
365.10275	1.2
367.15308	0.3
369.24194	1.8
381.09653	12.9
382.10025	0.4
387.25305	0.8
399.10712	1.7
405.26328	1.0
413.23239	0.4
417.12149	0.3
503.23904	0.4
521.25433	0.6
539.26324	0.8
557.27222	0.9
641.30383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
51.75807	0.1
53.03958	0.7
55.01870	0.4
55.05505	0.2
57.03431	0.4
57.07078	0.1
61.02917	0.3
65.03919	0.2
66.20135	0.1
67.05486	0.3
69.03426	2.1
69.07063	0.4
70.06582	0.5
71.04979	0.3
71.62834	0.2
72.08145	0.4
72.09698	0.1
73.02871	0.2
77.03888	0.6
79.05498	0.4
81.03409	0.5
81.07051	0.7
83.04961	0.3
84.04514	0.1
84.08135	0.3
85.02898	1.0
85.06525	0.2
86.06078	0.1
86.09708	0.3
89.03924	0.1
91.05476	1.0
93.07020	0.3
95.04964	2.3
95.08581	0.5
97.02893	1.7
97.06528	0.3
99.04434	0.3
99.08066	0.2
102.04659	0.4
103.05462	35.8
104.05771	0.4
105.03400	0.2
105.04499	0.4
105.07021	0.6
107.04933	0.6
107.08576	0.5
109.02896	0.7
109.06475	0.3
109.10191	0.3
111.04436	0.1
112.07607	0.2
115.03891	0.2
115.05452	0.5
117.07025	0.3
119.04939	1.0
119.08594	0.3
120.08109	0.2
121.02856	2.9
121.06483	0.3
121.10130	0.3
123.04414	0.2
127.03927	1.7
128.06207	0.2
129.06985	0.3
131.04919	100.0
132.05252	1.1
133.06461	0.2
133.10123	0.3
135.04375	0.2
135.08072	0.1
135.11714	0.3
137.05920	0.7
138.09167	0.1
140.06970	0.1
141.01820	0.2
141.05473	0.1
141.06915	0.2
143.08543	0.2
144.08072	0.3
145.02885	0.7
145.04956	0.3
145.06355	0.2
145.10083	0.2
147.04407	1.9
147.11685	0.4
148.04739	0.3
149.04913	0.1
149.05972	0.7
149.13162	0.2
151.03873	0.2
151.07538	0.3
153.01825	0.3
153.05496	0.2
155.08421	0.2
159.04430	0.3
159.11723	0.2
161.09668	0.1
163.03870	0.4
165.05402	0.1
167.07063	1.1
173.06000	0.3
175.03986	0.2
175.07535	0.3
177.05446	0.7
178.05777	0.2
181.04935	0.2
183.08040	0.1
185.05980	0.4
187.03914	0.3
189.01816	0.6
189.12915	0.1
191.03342	0.5
191.10587	0.1
193.08586	0.2
193.15805	0.2
194.02040	0.1
195.02872	0.3
201.01891	0.2
201.05450	0.3
203.03358	0.7
203.06914	0.2
205.04964	0.3
207.02890	1.0
207.06500	0.3
211.07527	0.2
215.03430	0.3
215.07097	0.2
217.04886	0.3
219.02969	0.6
221.04390	0.3
229.04915	0.3
231.02858	0.2
233.04300	0.2
241.04953	0.2
245.04468	0.2
245.08084	2.5
253.04643	0.1
261.03775	0.1
263.09140	2.8
267.06491	0.2
270.05145	0.2
271.05957	0.2
273.03897	0.1
273.07471	0.3
275.09070	0.5
277.08530	0.2
279.06387	0.3
281.08011	0.5
283.05997	1.2
284.06638	0.3
285.07513	0.9
291.06390	0.3
293.10211	5.7
294.05167	2.0
295.02808	0.2
295.05969	2.5
295.09174	0.1
296.06671	0.3
297.07501	0.4
301.07233	0.1
305.07968	0.3
307.05988	5.5
308.06741	1.6
309.04071	0.2
309.07529	1.4
313.07092	2.3
314.07275	0.2
317.08102	0.2
319.05899	0.8
320.06656	0.4
321.07535	2.3
322.08209	0.6
323.05344	0.5
323.08871	0.3
325.07034	3.2
326.07294	0.2
329.07956	0.3
333.07520	1.8
334.08292	0.2
335.05505	0.2
335.09097	1.6
336.06094	0.2
337.07062	7.9
338.07449	0.5
339.08597	0.3
345.07617	1.3
347.09027	0.5
349.07031	2.2
350.07449	0.2
351.08597	1.8
353.10135	0.5
355.08002	0.6
359.09213	0.2
361.07095	1.9
363.08609	1.2
365.10330	0.2
367.07928	0.7
371.11108	0.5
373.06964	1.2
375.08554	0.4
379.08096	5.3
385.08636	0.2
387.08548	0.3
389.07129	0.1
389.12207	1.0
391.08099	6.1
392.08377	0.2
397.09085	0.3
403.08145	1.1
409.09219	1.5
415.08282	0.4
421.09082	0.5
427.10144	0.9
433.08978	0.5
437.10065	0.2
439.10333	0.4
445.09357	0.2
451.10297	0.2
455.11285	2.4
457.10391	0.5
463.10550	0.4
465.12701	0.2
467.11148	1.3
475.10513	0.3
481.11160	0.5
485.12296	3.7
493.10938	0.7
509.12296	4.8
510.12164	0.2
511.12372	0.9
521.11823	0.5
539.13367	8.3
540.13293	0.4
545.14423	1.4
551.12775	0.5
557.14447	5.9
558.14368	0.3
563.15479	0.2
569.13989	0.5
575.15436	4.4
587.15399	1.6
599.15375	1.8
599.24347	0.2
605.16443	2.4
611.15295	0.5
623.14825	0.4
629.16492	4.5
641.16608	1.0
659.17596	3.8
677.18292	1.2
695.21875	0.2
695.34412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.5
53.03709	0.2
53.03935	1.4
55.01876	0.6
55.05513	0.4
57.03435	0.5
57.49606	0.2
61.02937	0.5
61.08764	0.2
65.03933	0.4
67.05503	0.8
68.99788	0.3
69.03420	2.2
69.07052	0.5
69.28970	0.9
69.29402	1.4
70.06583	0.6
71.04984	0.6
72.08152	0.7
73.02934	0.3
77.03931	0.6
79.05489	0.7
81.03413	1.4
81.07049	1.5
83.01353	0.3
83.04971	0.6
84.08130	0.5
85.02901	2.0
85.06540	0.6
86.09703	0.3
87.04501	0.2
89.03870	0.2
90.49015	0.2
91.05463	1.7
93.07049	0.9
95.04963	3.6
95.08603	1.2
97.02888	2.5
97.06538	0.7
98.20751	0.3
99.04450	0.6
102.04684	0.5
103.05462	48.0
104.05805	0.8
105.04491	0.3
105.07031	1.3
107.04948	0.6
107.08575	1.2
108.67841	0.2
109.02868	1.8
109.06490	0.7
109.10150	1.0
111.04465	0.3
111.08115	0.3
115.05462	0.4
117.03336	0.3
117.07033	0.6
118.98100	0.3
119.04932	1.5
119.08607	1.0
121.02850	4.2
121.06507	0.6
121.10152	1.1
122.05977	0.2
123.04440	1.2
123.08070	0.3
125.05976	0.5
125.09669	0.2
127.03911	4.7
129.07010	0.7
131.04919	100.0
132.05247	2.2
133.02811	0.3
133.10139	0.7
134.10501	0.2
135.04385	0.5
135.07986	0.3
135.11734	0.4
137.05959	1.1
141.07014	0.3
143.08527	0.5
144.08073	0.3
145.02847	1.1
145.04979	0.3
145.06490	0.4
145.10146	0.6
147.04407	2.4
147.11626	0.6
149.05977	1.1
149.09662	0.4
149.13242	0.3
151.03856	0.6
151.07556	0.6
153.01836	0.5
153.05467	0.4
153.06999	0.2
155.04907	0.3
157.10051	0.2
159.11694	0.3
161.05974	0.5
161.09697	0.2
161.13313	0.3
162.05394	0.3
163.03860	0.7
163.06244	0.2
163.07570	0.6
163.11224	0.2
165.09201	0.3
167.07031	1.7
169.06429	0.3
171.07974	0.2
171.11734	0.2
172.22198	0.2
173.05963	0.6
175.03941	0.6
175.07558	0.3
177.05466	1.8
177.09045	0.3
179.03394	0.4
179.14371	0.4
181.04919	0.6
181.06392	0.3
185.05824	0.2
189.01820	0.5
189.12744	0.2
191.03427	1.1
191.07005	0.5
191.10564	0.2
191.14342	0.3
193.08609	0.2
195.02911	0.6
199.07602	0.2
203.03415	0.6
205.04958	0.4
205.08566	0.4
207.02901	1.0
207.06447	1.2
209.04385	0.4
209.15382	0.3
211.07550	0.3
215.03488	0.4
217.12166	0.3
219.02859	0.7
221.04289	0.4
227.07112	0.2
229.04970	0.3
231.02847	0.3
233.04478	0.2
235.07707	0.2
239.07120	0.3
245.08110	0.3
255.02841	0.2
255.06490	0.5
267.06412	0.3
268.07288	0.4
269.04483	0.4
269.08054	0.4
270.05182	0.4
271.05978	0.6
273.03824	0.3
279.06519	0.6
280.07227	0.5
281.08014	0.9
283.06024	1.0
284.06363	0.3
285.07547	2.1
285.10800	0.5
287.05313	0.5
291.06494	0.6
292.07297	0.3
293.10248	5.1
294.05289	1.7
295.05988	5.5
296.06458	0.4
297.04230	0.2
297.07544	0.9
301.07108	0.4
305.07996	0.3
306.08304	0.2
307.05972	6.7
307.09500	0.5
308.06616	2.2
309.07507	4.0
309.11023	0.3
310.07977	0.4
311.05499	0.4
313.07056	1.3
319.06094	1.6
320.06702	0.6
321.07574	2.8
322.08191	0.5
323.09100	0.5
325.07062	4.2
333.07568	1.4
335.05414	0.4
335.08783	1.1
336.06735	0.3
337.07034	10.5
338.07510	0.4
339.08453	1.1
345.07532	0.7
347.09021	0.6
349.07019	2.8
351.08533	1.3
353.06454	0.2
353.10242	0.6
355.08072	1.4
361.06992	2.5
363.08469	1.1
367.07910	2.0
367.11862	0.8
371.10724	0.3
373.07077	0.7
375.08478	0.7
379.08035	4.0
385.08820	0.4
389.12070	0.4
391.08087	5.7
395.09180	0.4
396.09418	0.2
397.09229	0.9
399.10648	1.6
403.08011	1.1
405.09653	0.3
409.09280	4.0
415.09900	0.4
417.09625	0.3
420.39511	0.3
421.09613	1.7
423.08096	0.3
425.09583	0.2
427.10229	19.7
428.10388	1.2
433.09131	1.0
437.09790	0.4
439.11255	1.8
445.11401	2.9
449.09985	0.3
451.10233	1.6
457.11075	1.1
460.55328	0.2
463.11322	1.0
467.11053	0.8
469.11276	2.3
475.10309	0.8
481.11453	0.8
485.12283	3.0
487.12457	0.3
493.11526	2.7
509.12161	0.5
511.12491	1.6
521.12140	0.5
529.13489	1.7
539.13263	2.2
543.12378	0.3
545.13934	0.3
547.14490	2.9
557.14471	5.4
558.14514	0.4
569.14105	0.3
575.15430	8.7
576.15277	0.5
581.14001	0.3
587.15668	1.4
605.16437	4.4
606.17035	0.3
623.14905	0.2
641.16199	0.5
659.17303	1.3
677.18286	3.1
678.18939	0.2
695.19305	4.8
695.35510	1.5
696.19946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02391	0.5
53.03940	0.7
55.01862	0.3
57.03438	0.3
61.02945	0.4
65.03945	0.3
67.05506	0.3
69.03429	0.9
69.98634	1.0
71.04960	0.2
73.02922	0.2
77.03931	0.5
79.05489	0.2
81.03413	0.5
81.07029	0.3
84.08127	0.3
85.02905	0.6
85.49158	0.2
91.05483	0.6
95.04960	2.9
95.61624	0.2
97.02873	0.4
98.21453	0.2
102.04659	0.3
103.05460	45.9
104.05812	0.6
105.04528	0.3
105.07015	0.2
107.04914	0.3
107.08561	0.2
109.02876	0.5
111.04406	0.3
115.05487	0.4
117.00301	0.2
119.04939	1.0
121.02861	3.9
123.04407	0.3
127.03904	0.8
128.07101	0.2
129.06958	0.2
131.04918	100.0
132.05247	1.4
135.04385	0.2
135.07976	0.2
144.08131	0.3
145.02837	0.5
147.04401	0.6
149.05960	0.6
151.07570	0.2
163.03923	0.5
167.07025	0.3
173.05972	0.2
175.03902	0.3
179.03333	0.2
189.01859	0.7
191.03415	1.1
195.02812	0.4
203.03381	0.5
205.04938	0.3
207.02905	1.0
209.04446	0.4
215.03394	0.2
217.04903	0.4
219.02850	0.7
221.04469	0.2
227.03416	0.3
233.04454	0.3
241.04892	0.3
263.09164	0.3
267.06509	0.5
268.07245	0.7
269.04272	0.2
269.08081	0.2
271.06067	0.3
275.09235	0.3
279.06500	0.9
280.07309	0.4
281.08054	0.9
283.05872	0.5
285.07416	0.9
291.06317	0.3
293.07336	0.3
293.10226	5.5
294.05212	1.5
295.05975	5.1
295.09329	0.2
296.06662	0.5
297.04242	0.2
297.07617	0.7
305.08261	0.3
307.02591	0.4
307.05988	6.7
307.09494	0.4
308.06741	2.3
309.04059	0.3
309.07516	4.4
310.08041	0.2
313.07031	1.2
317.07898	0.4
319.05875	1.1
320.06619	0.2
321.07510	3.0
322.08270	0.5
323.05399	0.2
323.09042	0.4
325.07022	3.4
329.07938	0.3
331.05823	0.2
333.07468	0.9
335.05475	0.3
335.09119	0.6
336.06076	0.3
337.07040	10.3
338.07455	0.3
339.04962	0.2
339.08655	0.7
345.07587	0.6
346.07822	0.2
347.09109	0.4
349.07001	2.4
350.07504	0.2
351.08566	1.2
355.07928	1.1
361.07025	2.2
363.08578	1.1
365.10196	0.3
367.08093	1.9
373.06970	0.7
375.08578	0.5
379.08118	3.2
385.09125	0.5
387.08353	0.3
391.08102	5.6
395.09079	0.3
397.09183	0.8
399.10825	2.1
403.10086	1.3
405.09814	0.4
409.09253	3.4
415.09833	0.2
417.09756	0.2
421.09286	1.5
427.10217	22.9
428.10419	1.1
433.09326	0.9
437.09772	0.2
439.11194	1.4
445.10178	0.8
449.10001	0.3
451.10190	2.1
457.11383	1.1
463.10770	0.5
467.11093	0.5
469.11261	2.1
475.10907	0.4
477.11792	0.4
481.11060	0.7
485.06735	0.2
485.12375	2.1
493.11530	1.9
499.12067	0.2
509.12589	0.3
511.12500	1.4
521.11945	0.3
529.13226	1.6
539.13257	1.7
547.14429	1.9
551.13153	0.3
557.05841	0.3
557.14410	5.3
558.14166	0.3
575.15442	7.7
587.15588	1.2
605.07611	0.3
605.16473	4.3
606.16339	0.3
641.16626	0.3
659.17163	1.2
677.18506	2.3
678.18207	0.2
695.19623	4.8
695.32764	0.3
695.36841	0.3
696.19220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02371	0.4
51.69770	0.2
53.03942	0.9
55.01866	0.6
55.91817	0.2
57.03432	0.2
61.02917	0.2
61.13301	0.2
61.71335	0.2
64.18197	0.2
67.05499	0.3
69.03421	2.2
69.07063	0.3
70.06546	0.3
70.06852	0.7
73.02889	0.2
77.03932	0.6
79.05478	0.6
81.03391	0.8
81.07043	0.6
83.04977	0.2
85.02896	1.0
91.05477	1.2
93.07020	0.3
95.04965	2.4
95.08605	0.5
97.02879	1.0
97.06500	0.2
99.04437	0.3
102.04681	0.6
103.05454	41.8
104.05781	0.4
105.04476	0.3
105.07013	0.5
107.04948	0.6
107.08576	0.5
109.02863	0.8
109.06486	0.3
109.10104	0.2
111.04399	0.3
112.07644	0.2
115.05443	0.2
117.07011	0.3
119.04921	1.0
119.08573	0.3
121.02850	3.1
121.10128	0.2
123.04436	0.6
127.03918	1.9
127.50137	0.2
129.06990	0.5
131.04912	100.0
132.05226	1.5
133.06473	0.3
133.10040	0.2
137.02325	0.2
137.05952	1.3
137.09677	0.2
137.76294	0.2
144.08061	0.3
145.02827	0.7
145.04929	0.3
145.06465	0.3
147.04407	1.5
147.08096	0.2
149.05969	0.8
151.03934	0.3
153.01790	0.4
157.06483	0.2
159.04414	0.2
161.05815	0.2
162.05383	0.3
163.03822	0.3
163.07503	0.4
165.09158	0.2
167.07066	0.7
171.04425	0.2
173.02231	0.2
173.05951	0.4
175.03886	0.6
175.07555	0.2
177.05396	0.4
187.04045	0.3
189.01830	0.5
189.05469	0.2
191.03342	0.7
191.07036	0.4
191.14246	0.3
195.02820	0.3
199.07579	0.2
201.05408	0.2
203.03386	0.8
205.04933	0.4
207.02913	0.7
207.06525	0.7
209.04515	0.2
211.07674	0.3
213.09216	0.2
215.06943	0.3
217.05026	0.4
219.02887	0.5
229.04832	0.2
233.04468	0.3
233.08054	0.4
241.04855	0.3
243.02737	0.2
255.02818	0.2
255.06407	0.4
268.07346	0.3
269.04321	0.2
270.05264	0.9
271.06165	0.2
275.09106	0.6
279.06564	0.5
281.08081	0.7
283.05994	1.2
284.06808	0.2
285.07568	3.0
287.05334	0.2
291.06448	0.4
292.07211	0.2
293.10196	7.1
294.05222	1.7
295.05991	3.6
295.09299	0.4
296.06497	0.3
297.07385	0.5
301.07077	0.6
305.07919	0.3
306.08725	0.2
307.05975	5.0
307.09250	0.3
308.06757	1.8
309.07593	2.0
313.06958	1.5
317.08084	0.4
319.05917	0.8
320.06717	0.5
321.07513	3.1
322.08157	0.6
323.09027	0.4
325.07001	3.2
326.07272	0.2
329.07944	0.5
331.05807	0.3
333.07498	1.8
335.09195	1.5
337.07016	7.2
339.08505	0.8
345.07596	1.4
347.09097	0.2
349.07047	3.0
350.06879	0.2
351.08578	2.0
355.08203	0.9
357.13284	0.3
359.09027	0.3
361.07037	1.7
362.07880	0.3
363.08557	1.6
367.07959	1.0
373.06915	1.4
375.08545	0.6
379.08054	5.9
379.12057	0.2
380.08612	0.3
385.09015	0.4
387.08246	0.2
391.08084	6.5
397.09152	0.3
399.10452	0.3
403.08218	0.6
409.09418	2.0
415.08514	0.3
421.09360	0.8
427.10181	5.5
433.09204	0.5
439.10788	0.4
445.11557	0.9
451.10477	0.3
455.11166	2.0
457.10938	0.6
463.10587	0.6
467.11237	1.2
469.11523	0.6
475.10498	0.4
481.11246	0.8
485.12241	3.7
493.11536	0.9
509.12259	4.2
509.19519	0.4
511.12592	1.0
521.12183	0.5
529.13586	0.5
539.13342	8.3
547.14185	0.7
557.14325	8.6
558.14575	0.5
563.14899	0.3
575.15436	6.2
576.15643	0.2
587.15125	0.7
605.16431	3.7
611.15198	0.4
629.16492	6.0
630.16028	0.3
641.16217	0.5
659.06689	0.2
659.17493	4.3
660.17236	0.3
677.18372	2.6
695.19470	1.5
695.29749	0.2
695.37317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.6
53.03933	8.3
55.01851	7.1
55.05507	31.4
57.03434	41.7
57.51291	2.5
65.03931	3.6
67.05499	77.1
69.03422	2.8
69.07057	26.0
71.04988	5.7
77.03931	4.1
79.05487	79.9
81.03388	3.4
81.07047	81.5
83.04961	6.3
83.08618	17.4
85.02893	3.3
85.06537	6.0
91.05477	100.0
93.07034	78.8
95.04973	16.9
95.08600	60.1
97.06541	14.3
97.10145	7.6
99.08072	10.7
103.05442	4.0
105.07018	82.9
107.04964	8.0
107.08580	46.0
109.06526	21.5
109.10139	23.2
111.08054	12.0
113.05985	7.2
113.09581	4.8
114.61105	2.5
115.05418	7.1
116.06201	3.8
117.07007	54.4
119.08577	63.5
121.06466	5.8
121.10147	19.6
123.08067	7.2
123.11725	3.8
125.09603	8.8
128.06194	9.2
129.06990	36.2
130.07776	7.0
131.08554	58.2
133.06398	4.2
133.10118	33.6
135.08038	8.0
135.11674	11.6
137.09641	2.9
141.06964	11.6
142.07780	8.6
143.08548	33.0
144.09261	3.9
145.06415	3.0
145.10124	52.0
147.04300	4.0
147.08029	5.4
147.11655	24.0
149.09621	7.0
149.13268	5.2
151.11208	3.8
153.01820	7.2
153.06960	3.4
155.08514	16.4
156.09346	2.8
157.10101	30.3
159.08014	4.1
159.11676	42.9
161.09595	8.6
161.13223	14.2
163.11218	10.8
165.07092	3.4
166.07742	3.1
167.08527	9.8
169.10120	20.3
170.10860	2.9
171.02858	6.1
171.11659	19.9
173.09720	2.7
173.13222	18.5
175.11081	4.6
175.14746	7.1
177.12762	4.6
179.08626	4.0
181.10161	12.2
183.11684	17.9
185.13228	38.9
187.11160	3.6
187.14743	6.1
189.11209	2.8
189.12764	3.2
193.10117	6.3
195.02921	6.5
195.11671	13.3
197.13260	16.6
199.14819	8.9
201.12709	5.5
201.16380	5.6
203.14302	15.1
205.15843	4.3
207.11652	7.1
209.13231	14.3
211.14769	7.9
213.16272	2.7
215.14297	3.4
217.15817	8.1
219.11589	3.8
219.17560	8.0
221.13313	3.2
223.14777	7.1
227.12746	7.6
229.14198	3.4
229.19548	5.2
233.13295	6.3
233.15453	3.7
235.14839	6.5
237.16380	7.2
239.17966	12.5
247.14799	3.0
249.16344	5.3
251.17949	3.6
255.17464	2.9
257.18967	19.3
259.20581	5.1
261.22324	3.4
271.05997	5.4
273.07404	13.5
273.18448	8.0
275.20093	31.7
275.82639	2.8
277.21692	3.3
309.22021	2.7
331.22696	7.1
337.25433	2.7
349.23737	29.5
351.25494	3.9
361.25092	3.9
461.33441	4.5
473.33490	3.1
497.32571	3.1
501.35440	2.9
513.36841	3.3
527.37048	6.0
531.38086	3.7
537.35742	2.8
539.37024	2.7
551.37482	14.4
555.36353	7.6
565.38898	4.1
569.39044	3.6
583.39526	3.2
605.41846	7.9
623.42981	20.9
641.43555	9.0
705.30389	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	694.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03163	1.6
55.05507	8.6
57.03429	5.7
57.07092	3.9
61.02924	26.1
65.03918	3.1
67.05501	58.3
68.28496	1.5
69.03403	3.6
69.07064	11.3
71.02219	3.3
71.02550	2.5
71.05010	2.0
71.08610	2.0
73.02912	8.4
75.09962	1.6
79.05480	25.9
81.03408	2.6
81.06574	3.3
81.07052	65.2
82.07309	1.8
83.08607	7.3
85.02899	30.8
85.06534	2.3
91.03951	23.3
91.05473	14.1
93.07037	46.2
95.04968	6.1
95.08603	52.6
97.02892	12.8
97.06515	3.5
97.10181	3.9
99.08144	1.9
105.07008	14.8
107.08585	29.3
109.06555	2.2
109.10148	35.3
111.08095	2.9
113.09623	2.3
115.03887	2.3
117.07025	7.9
119.08591	10.8
121.09293	3.2
121.10126	32.1
123.04406	11.4
123.11692	18.7
124.04747	2.9
127.03902	12.1
131.08542	15.6
133.10123	13.1
135.11697	26.9
137.13240	7.7
145.04948	13.3
145.10124	13.7
147.11710	12.6
148.94151	1.6
149.05977	5.5
149.13237	17.7
150.06271	2.1
151.11159	2.7
151.14832	3.9
159.11676	13.2
161.13272	10.0
163.06027	21.6
163.07513	5.6
163.14818	14.9
173.13271	13.2
175.14790	5.3
177.12672	2.3
177.16374	5.5
179.14447	1.6
187.14780	7.6
189.16371	2.0
191.14394	2.6
201.16435	3.8
205.15868	3.0
233.22563	2.6
243.21094	35.5
261.22122	100.0
270.67883	1.7
279.23212	5.0
285.11188	5.7
286.11383	4.4
335.25717	32.4
335.29385	2.9
339.15811	1.9
340.16074	2.7
353.26828	62.8
354.27081	2.2
402.30209	1.7
487.97342	1.8
497.31064	7.2
649.28003	2.0
682.73907	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	694.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01841	1.1
55.05507	11.0
57.03439	5.2
57.03677	1.2
57.07071	4.6
61.02919	26.6
65.03916	1.7
67.05498	57.2
69.03410	3.2
69.07057	11.0
70.81091	2.5
71.04968	2.9
71.08602	1.3
73.02907	10.2
75.04474	1.0
77.03898	0.8
79.05485	31.2
81.03411	1.8
81.07047	63.9
83.04940	1.5
83.08618	6.4
85.02898	33.6
85.06532	2.5
87.04445	0.7
91.03945	29.2
91.04885	1.1
91.05469	16.6
93.07034	49.6
95.04947	2.4
95.08598	49.8
96.08918	0.9
97.02883	12.2
97.06505	2.7
97.10163	2.8
99.04454	1.5
99.08078	1.9
105.07021	13.6
107.08581	35.7
109.02867	0.7
109.06492	1.3
109.10139	28.7
111.08072	2.3
111.11652	1.1
113.09597	0.9
115.03894	1.2
117.06997	7.4
119.07773	1.2
119.08572	14.0
121.10136	31.5
123.04426	0.7
123.08093	1.0
123.11697	16.0
124.11900	0.7
125.09658	1.1
127.03915	9.9
127.11169	0.8
129.06985	0.8
131.08559	17.8
133.10115	13.4
135.11681	26.0
137.09637	1.6
137.13248	6.9
139.11160	1.9
145.04942	13.4
145.10103	14.8
147.11674	11.0
149.13251	20.1
151.11156	2.0
151.14778	1.7
153.12714	1.4
159.11685	13.9
161.13240	10.1
163.06006	22.8
163.14807	17.4
165.12735	2.5
165.16339	1.0
167.14313	0.8
168.64897	0.9
173.13254	15.2
175.14767	3.6
176.20668	0.8
177.12798	1.3
177.16359	6.6
179.14270	3.2
187.14789	9.0
191.14273	1.2
201.16429	2.6
205.15947	1.5
215.17987	1.0
219.17424	1.7
233.22594	2.4
233.96111	0.7
243.21066	35.1
244.21353	1.1
245.22745	0.8
253.05876	0.8
261.22119	100.0
262.22406	3.1
263.23718	1.8
279.23175	2.6
306.57690	0.7
335.25751	17.1
353.26825	66.5
354.27200	2.0
497.30997	1.7
524.98181	0.9
609.24011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
59.36384	0.6
59.41904	0.6
59.86017	0.5
64.01676	0.8
67.05494	1.3
69.49429	5.4
79.05476	0.8
81.07071	1.8
83.01100	12.6
91.05492	1.2
93.07059	1.1
95.08646	1.8
105.07083	0.6
109.10184	0.8
111.04202	9.0
112.05015	1.1
113.05743	0.9
119.08606	0.8
127.03679	14.5
133.10138	0.7
139.07330	1.4
141.05174	1.0
144.03932	1.5
155.06796	13.3
171.06291	11.6
188.06572	0.9
215.08957	2.3
243.12027	5.8
259.11588	2.5
287.14551	0.8
413.18643	1.1
428.21417	1.0
632.75189	0.7
693.37573	100.0
694.37958	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	694.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01857	0.5
55.05502	0.5
57.03422	0.8
58.06618	0.2
65.03911	0.3
67.05479	0.8
68.99792	0.3
69.03433	1.2
69.07051	0.9
70.06581	2.1
71.04974	1.1
71.62155	0.3
72.08140	0.9
73.02908	0.5
79.05466	0.6
81.03404	1.4
81.07053	1.4
82.06556	0.3
83.04995	1.0
83.05392	0.2
84.04536	0.2
84.08140	2.0
85.02897	2.8
85.06522	0.8
86.09695	0.7
87.04456	0.3
91.05456	0.9
92.04977	0.3
93.07027	1.0
94.06563	7.1
95.04938	0.7
95.08600	1.1
96.04478	0.6
97.02901	1.8
97.06520	0.8
98.06019	0.3
98.09667	0.6
99.04429	0.6
100.07597	0.2
101.05994	0.7
103.05435	0.3
105.07023	1.3
107.04955	0.7
107.07317	0.3
107.08548	1.1
108.08900	0.3
109.02863	1.2
109.06509	0.3
109.10146	0.8
110.02371	0.3
110.06035	2.8
111.04447	0.5
112.07591	0.7
114.09184	1.0
115.05441	0.2
118.06490	0.4
119.04913	0.8
119.08578	0.6
120.08116	0.2
121.02870	0.4
121.06467	0.3
121.10142	0.6
123.04423	0.7
123.08089	0.4
123.11720	0.3
125.09595	0.2
127.03898	2.8
128.07072	0.6
128.10698	0.6
129.05501	0.3
130.08611	0.3
131.04942	0.5
131.08530	0.3
133.06476	0.7
133.10123	0.5
135.04431	0.4
135.11644	0.4
137.05972	0.9
137.09537	0.4
138.05489	53.2
139.05823	0.6
139.07494	0.3
140.07062	0.7
144.08020	0.4
145.04924	0.3
145.06503	0.2
145.08885	0.3
145.10092	0.3
146.11798	0.2
147.04407	2.7
147.11678	0.5
148.04744	0.4
149.06018	0.3
149.13336	0.3
151.03886	0.5
151.06256	0.6
151.07484	0.5
151.11140	0.2
152.07028	0.5
153.01779	0.4
153.05530	0.3
153.09065	0.2
154.08586	0.3
159.04424	0.2
159.08063	0.2
159.11690	0.4
161.05968	1.2
163.03879	0.3
163.06277	0.4
163.07523	0.3
164.07129	0.4
165.05449	0.6
165.09064	0.4
167.07039	2.6
168.07430	0.4
169.01270	0.4
171.02820	0.3
173.13313	0.3
175.03954	0.3
175.14848	0.5
177.05489	0.6
183.06644	0.2
184.63597	0.2
185.00848	0.4
188.07059	0.3
189.07771	0.4
190.08772	0.2
191.03423	0.4
191.10603	0.2
191.14293	0.3
193.08522	1.2
207.06516	0.5
209.11720	0.2
229.04869	0.4
235.09502	0.2
237.03026	0.2
239.12007	0.2
250.11418	0.2
255.06505	0.6
264.10675	0.2
265.06985	0.5
266.07449	0.4
271.06009	1.3
274.12741	0.2
276.14410	0.6
290.15961	0.7
301.07327	0.5
302.07596	0.3
305.08090	0.4
313.07278	0.4
313.11996	0.5
321.07446	0.3
325.06802	0.3
334.08340	0.3
337.06799	0.4
339.08136	0.2
349.07092	0.8
351.17877	0.4
352.09351	0.7
362.07776	3.5
363.08090	0.3
364.09555	0.8
365.10114	0.5
373.13864	1.5
375.08810	0.3
377.10141	2.1
379.08002	0.2
380.08871	18.1
381.09348	1.2
385.13037	1.5
386.12985	2.3
393.09607	1.9
395.11234	20.7
396.11588	0.8
398.13763	0.4
404.08875	0.5
411.09152	0.3
412.11829	1.0
414.13712	0.5
419.11212	0.9
422.10211	0.2
422.19699	0.3
424.11874	0.6
426.13464	0.3
428.11230	0.4
430.10736	0.3
438.13199	0.3
440.11212	1.5
441.12170	0.5
442.11258	0.8
445.12869	0.5
453.11472	0.3
454.12692	0.5
455.13727	1.3
457.12497	1.4
458.11923	0.4
459.31232	0.4
460.31534	0.3
469.15454	0.4
470.16226	0.7
471.13162	2.6
472.14011	0.3
473.14865	3.1
477.31943	0.4
478.32452	0.4
486.15561	9.9
488.17603	2.1
489.13397	0.4
495.32510	0.3
496.33563	0.4
499.12656	0.6
501.14346	0.3
502.15137	0.4
505.13962	0.2
514.14948	1.4
516.12769	0.6
517.13654	8.8
518.14227	0.8
530.14441	2.9
532.16003	40.7
533.16339	1.9
557.16260	0.4
648.20612	0.6
694.21161	100.0
695.21545	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	693.2379
Annotation	Cuhuoside
Peak:m/z	Relative Intensity
53.03915	0.2
54.16318	0.1
55.01846	0.3
55.05484	0.2
56.15058	0.1
57.03393	0.4
59.04936	0.1
61.02906	0.4
66.86760	0.1
67.05460	0.4
68.99767	0.1
69.03417	1.5
69.07021	0.3
70.06548	0.2
71.03565	0.2
71.04946	0.3
71.60140	0.1
72.08138	0.1
73.02889	0.2
78.04682	0.1
79.05442	0.3
81.03413	0.8
81.07042	0.7
83.01279	0.1
83.04963	0.1
84.08088	0.1
85.02895	3.5
85.06507	0.1
87.04408	0.2
89.03890	0.1
91.05428	0.3
93.07042	0.5
95.04956	0.2
95.08595	0.7
97.02881	1.1
97.06495	0.2
99.04402	0.3
99.08060	0.1
103.03905	0.1
105.06961	0.3
106.04124	0.1
107.04890	0.1
107.08615	0.4
107.09196	0.1
109.02882	0.8
109.06417	0.1
109.10098	0.3
111.04412	0.3
115.03883	0.1
117.03342	0.3
119.04905	0.2
119.08504	0.2
121.06502	0.2
121.10086	0.4
123.04409	0.3
123.08001	0.2
123.11669	0.2
125.05923	0.1
125.09614	0.2
127.03062	0.1
127.03899	1.3
128.04132	0.1
128.07092	0.1
129.05458	0.1
131.08524	0.1
133.06393	0.1
133.10075	0.2
134.03629	0.6
135.04355	0.2
135.08000	0.1
135.11638	0.3
136.07513	0.1
137.05966	0.2
139.03883	0.1
139.07474	0.1
145.04979	0.4
145.10066	0.2
147.04361	0.5
147.07869	0.1
147.11639	0.2
149.05899	0.2
149.09520	0.1
149.13234	0.1
151.03831	0.2
151.07533	0.2
151.11060	0.1
153.01729	0.3
153.05421	0.2
159.08101	0.1
159.11681	0.1
161.05919	0.1
163.07503	0.1
165.01797	0.3
165.05408	0.4
165.12344	0.1
167.06987	0.4
171.04543	0.1
171.06436	0.2
173.13116	0.1
175.03899	0.2
175.11081	0.1
175.14772	0.2
177.05446	0.2
183.02847	0.3
189.09047	0.2
191.10551	0.1
195.02849	0.1
199.80688	0.1
201.08847	0.1
207.06447	0.4
207.10156	0.1
211.14790	0.1
213.05467	0.2
214.06184	0.2
225.05482	0.1
229.08609	0.1
239.06796	0.1
241.04881	1.0
242.05771	0.5
243.02872	0.1
253.04932	0.2
269.04410	0.6
270.05243	1.9
281.04343	0.3
285.07458	0.6
286.04611	0.1
287.05219	0.1
295.05991	0.2
297.03906	0.3
297.07245	0.1
298.04681	31.5
299.05185	0.5
301.07062	0.9
307.18658	0.1
310.04822	0.1
311.05408	0.3
313.07007	100.0
314.07336	1.5
325.07022	0.8
337.06915	0.2
339.08765	0.1
351.09061	0.1
355.08069	1.0
369.13287	17.9
370.13547	0.3
379.08133	0.1
385.12604	0.1
397.27243	0.1
409.08786	0.1
415.13535	0.1
421.09155	0.1
441.29895	0.3
457.10931	0.1
459.31064	0.5
475.12317	19.4
476.12512	0.4
477.32248	0.5
495.33148	0.3
513.33917	0.1
531.18555	23.4
532.19177	0.5
621.88556	0.1
693.23621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65446	0.1
53.03940	0.2
55.05500	0.2
62.49860	0.1
65.03922	0.2
67.05509	1.0
68.99774	0.4
69.03404	0.4
69.07041	0.3
70.82372	0.2
70.82680	0.2
71.04961	0.3
79.05476	0.8
80.00385	0.1
81.03418	0.8
81.07050	0.9
83.04967	0.1
83.08601	0.1
85.02889	0.5
91.05476	1.4
93.07050	0.8
95.04939	0.2
95.08601	0.8
97.02863	0.5
101.10130	0.1
105.07008	0.5
107.04909	0.2
107.08572	0.6
107.67029	0.1
108.25880	0.1
109.02853	0.2
109.10133	0.3
111.00754	0.2
111.04350	0.1
115.05439	0.1
117.06987	0.2
119.04906	0.5
119.08578	0.4
121.02841	0.4
121.10126	0.5
123.04389	0.2
127.03906	0.3
129.06981	0.1
131.04900	0.2
131.08553	0.5
133.10085	0.2
135.11665	0.3
137.02350	0.2
141.06941	0.2
141.84901	0.1
145.02852	1.1
145.06451	0.2
145.10109	0.2
147.04405	0.3
147.07976	0.3
147.11673	0.2
149.02338	3.0
149.13290	0.2
153.01820	4.8
159.04391	0.7
159.08066	0.2
159.11578	0.3
161.13240	0.2
165.01851	0.4
169.06459	0.7
173.05943	0.3
175.07484	0.2
183.02824	0.2
185.06052	0.1
187.03902	0.2
187.07513	0.3
187.14830	0.2
197.05968	1.0
201.05432	0.2
215.07014	6.2
225.05435	0.5
229.04988	0.3
243.06496	2.9
253.04932	1.8
254.05568	0.2
259.24603	0.1
261.22141	0.4
271.05991	100.0
272.06332	2.6
433.41870	0.1
443.43536	0.1
693.38904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
53.06139	0.6
53.42840	0.6
55.01875	2.3
55.05252	1.4
55.05508	19.8
56.82320	0.6
57.03431	12.5
57.07063	3.0
59.04993	2.3
61.02929	5.7
65.03935	2.7
67.05502	86.9
68.05839	0.8
68.99802	0.7
69.03444	3.7
69.07065	17.0
71.01340	0.9
71.04636	1.4
71.04991	19.6
71.64120	1.0
73.02906	3.7
79.05489	31.6
81.03416	7.7
81.07054	100.0
83.04988	8.0
83.08616	16.9
85.02908	7.9
85.06538	8.7
87.04469	2.1
91.03946	1.9
91.05479	24.8
93.07040	51.3
94.07368	0.8
95.04965	9.5
95.08601	22.0
97.02869	5.3
97.06528	11.4
97.10177	7.3
99.04478	1.8
99.08081	2.6
102.61039	0.7
103.03947	0.9
105.04571	0.9
105.07019	13.8
107.04952	2.8
107.07854	1.6
107.08588	33.1
109.06494	3.6
109.10149	28.8
110.10426	1.0
111.04443	1.0
111.08086	6.9
113.06004	0.9
113.09633	0.9
117.07018	7.5
118.76118	0.8
119.08588	6.1
121.06516	2.4
121.10139	13.0
123.04415	11.3
123.08087	1.5
123.11707	12.7
124.04754	0.9
125.09591	5.5
127.03928	2.1
129.05501	1.8
129.07008	1.4
131.08571	9.7
133.10127	18.8
133.11073	1.5
134.10539	0.8
135.08063	1.7
135.11693	7.9
137.06064	0.9
137.09595	1.4
139.11220	1.4
143.08542	1.3
143.10675	0.9
145.10133	2.6
147.04401	2.0
147.08078	1.3
147.11699	4.4
149.05954	3.7
149.09624	1.6
149.13251	26.0
151.11183	5.0
155.10747	1.4
159.11694	12.2
163.04002	0.8
163.07616	1.7
163.11215	2.8
165.12746	1.4
169.12273	0.8
171.11835	0.9
173.11737	6.4
175.15045	0.7
177.05563	0.7
177.12772	5.6
181.12189	1.3
183.13841	2.1
187.07716	0.7
187.13324	3.3
189.09053	1.0
191.10612	1.7
193.12280	1.8
195.13811	11.3
199.13313	3.3
209.09874	0.9
209.11797	3.0
211.13182	1.0
213.14955	1.2
227.12813	3.8
229.14345	21.9
239.16545	1.0
251.16347	1.7
257.17548	0.9
259.20532	0.9
267.15845	4.0
269.17468	40.0
283.05896	1.4
283.15512	1.7
285.11160	1.4
285.16959	0.9
287.05524	1.2
299.05438	1.3
301.16483	6.9
301.20117	7.1
311.05557	1.3
379.11667	1.6
393.25861	1.1
411.27469	2.0
423.27390	19.4
423.32916	1.3
424.27847	1.2
425.13657	0.8
435.30878	1.0
437.28973	36.0
438.29507	1.9
451.30713	6.4
463.30536	98.0
464.30978	4.0
477.28494	1.7
495.34177	27.3
513.30536	6.3
639.37213	1.1
657.20984	1.2
692.23853	0.9
693.24219	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	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07569	0.7
51.02374	0.8
53.03943	2.2
55.05508	30.0
57.03155	0.7
57.03426	20.8
57.07069	2.8
59.05006	3.8
61.02924	9.2
65.03944	3.1
67.05501	100.0
69.03428	5.3
69.07066	18.7
70.61256	2.4
71.01360	2.1
71.04987	5.3
73.02903	7.6
76.02361	0.7
79.05489	35.3
81.03413	12.7
81.07053	75.9
83.04979	10.2
83.08616	22.5
85.02901	16.8
85.06537	5.1
85.34860	0.9
87.04017	1.0
87.04468	6.2
91.03964	3.6
91.05473	26.5
93.07038	40.5
95.04968	8.8
95.08601	21.2
97.02901	7.6
97.06519	12.7
97.10166	14.8
99.04462	1.8
99.08052	1.3
103.03942	1.5
105.07019	10.7
107.04971	5.4
107.07851	1.7
107.08588	31.9
109.02869	1.2
109.06494	3.7
109.10150	53.2
111.04455	2.2
111.08070	6.6
112.46696	0.7
116.04729	1.5
117.07007	10.1
119.08588	11.0
121.06489	3.6
121.10136	11.9
123.04417	5.0
123.08067	3.4
123.11699	4.8
125.09624	17.6
127.03921	1.9
129.05490	6.9
129.07043	1.8
131.08546	8.4
131.09357	0.8
133.10123	12.4
135.08080	2.4
135.11685	10.1
137.09608	3.4
143.07060	1.1
143.08563	1.0
143.10706	2.0
145.05025	1.0
145.10109	5.1
147.08037	1.7
147.11687	5.3
149.05991	2.1
149.09650	1.8
149.13264	12.3
151.11244	2.1
153.09166	1.1
153.12788	2.7
155.10690	2.4
157.08658	1.0
157.10139	1.8
159.11714	6.8
163.07585	0.8
163.11160	9.0
165.12759	3.7
173.09613	2.3
173.11725	16.8
175.11150	2.2
177.12715	5.2
181.12282	3.3
183.02859	1.0
185.11772	1.3
191.10695	3.0
193.12250	4.0
195.13783	13.1
199.13326	6.6
203.10704	1.1
209.11700	6.6
209.29153	0.7
211.13268	4.3
213.14911	2.8
217.14424	1.3
227.12743	9.1
229.14339	53.2
239.16389	3.9
249.15034	1.1
265.14255	1.1
267.15894	9.1
269.17459	58.4
283.15408	7.3
285.16986	1.1
299.05649	1.2
301.16446	18.2
313.16464	1.7
323.18597	1.4
325.14368	0.9
339.15973	1.6
339.23318	0.9
340.16431	1.2
393.26422	2.8
411.27524	5.5
423.27414	38.7
431.27979	2.7
449.28766	1.1
477.28690	3.0
495.29507	68.9
496.29788	1.2
513.30573	30.0
517.78589	0.8
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
50.01591	0.5
51.72976	0.4
52.14080	0.4
55.05508	15.6
57.03432	15.0
57.07070	0.9
59.04993	1.3
61.02920	4.1
65.03932	1.9
67.01859	0.5
67.05499	25.8
69.03425	8.8
69.07064	9.0
70.06584	0.6
70.10826	2.0
71.01359	0.6
71.04987	10.9
72.08121	0.4
73.02905	1.6
73.06547	0.6
75.04468	0.7
77.03918	0.7
79.05487	27.8
80.92996	0.4
81.03412	87.9
81.07053	31.1
82.03765	0.6
83.04466	0.9
83.04975	21.6
83.08613	30.6
85.02901	41.8
85.06528	3.5
87.04464	0.8
91.03951	2.0
91.05474	38.1
93.07040	21.6
95.04962	34.6
95.08596	13.2
96.08955	0.6
97.02881	9.3
97.06520	6.3
97.10159	4.7
99.04456	1.5
99.08084	1.9
103.05470	0.9
105.03402	0.6
105.07022	26.7
107.04951	8.9
107.05688	0.5
107.08579	10.2
109.02866	2.5
109.06509	5.7
109.10141	5.0
111.04436	3.5
111.08072	12.9
113.06007	3.7
115.05429	2.1
116.06228	0.7
117.06994	2.3
119.04945	1.6
119.08572	23.2
121.02878	0.5
121.06520	3.3
121.10131	12.1
123.04420	3.1
123.08064	3.7
123.11708	2.5
125.05917	0.8
125.09606	2.4
127.03896	4.9
127.07554	1.4
128.06213	0.8
129.05469	2.0
129.06996	13.4
131.04927	0.7
131.08559	15.4
133.06496	4.0
133.10126	15.6
135.04414	0.8
135.08043	1.2
135.11690	1.2
137.05963	1.7
137.09641	3.6
137.13284	0.6
138.05513	1.7
138.53343	0.5
142.07739	3.3
143.08563	0.9
145.02844	0.7
145.04987	0.8
145.06509	1.1
145.10107	3.7
147.04457	2.4
147.08037	4.5
147.11674	20.5
149.02303	0.6
149.05972	0.9
149.09612	7.7
151.07533	1.0
151.11179	1.0
153.01808	5.5
157.10120	20.4
159.11703	0.9
161.06001	0.6
161.09755	0.6
163.03912	1.4
163.07501	1.2
163.11128	1.4
165.01904	0.4
165.12733	5.2
166.02586	0.7
167.07080	3.5
168.07462	0.6
171.02890	2.9
175.03864	0.6
175.11176	21.8
177.05469	1.7
177.09093	0.8
179.03517	1.0
183.02904	1.2
189.09132	1.0
191.03372	0.8
192.35428	0.4
193.12228	60.9
194.12616	0.9
195.02875	4.3
207.06389	0.8
211.13275	100.0
212.13658	0.8
215.07021	0.6
215.10742	1.0
219.02936	1.6
225.12639	0.5
229.04823	0.6
241.04967	0.5
245.04337	0.9
249.14954	1.2
259.09402	0.6
263.05493	1.3
267.15894	40.4
269.04416	0.6
273.14816	0.6
285.16937	97.4
286.17322	0.9
287.05453	1.3
288.05911	0.5
301.07040	6.2
311.05490	0.6
313.06836	0.7
325.07001	2.0
340.08990	0.8
343.08026	0.6
349.21439	0.7
358.10114	0.5
366.10709	0.6
367.11636	1.7
367.22763	2.5
373.04391	0.6
380.11786	0.7
384.11487	1.3
385.12845	7.0
385.23694	5.2
393.13498	1.4
394.13678	1.9
397.12628	0.6
403.24731	1.5
409.12930	0.7
411.14520	1.3
412.14682	2.1
427.13699	1.3
429.15396	0.7
430.15790	1.4
433.25827	2.0
441.26385	1.4
451.14047	1.0
459.27319	26.4
477.28391	29.5
478.28922	0.5
495.29498	84.6
496.29816	1.7
511.15707	0.6
529.16870	0.7
531.18585	0.8
639.33002	0.6
662.31238	0.5
692.41125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.05506	36.5
57.03147	1.8
57.03425	22.0
57.07061	2.6
59.04986	3.7
61.02924	8.6
65.03930	3.2
67.05500	100.0
69.03432	4.8
69.07063	19.6
69.42450	5.3
69.42860	1.9
71.01347	2.2
71.04991	6.4
73.02918	5.8
79.05487	38.8
81.03414	14.0
81.07052	75.4
81.69694	0.7
82.07397	1.1
83.04978	11.5
83.08614	22.0
85.02901	21.8
85.03425	1.1
85.06544	4.8
87.04469	4.9
91.03957	4.5
91.05476	28.7
93.07037	41.5
95.04967	8.5
95.08598	25.0
97.02888	8.1
97.06532	11.1
97.10162	16.5
97.10756	1.1
99.04483	1.4
99.08096	1.7
103.03945	1.5
103.80391	0.8
105.07032	11.5
107.04962	4.6
107.08586	29.1
109.02891	1.1
109.06501	4.2
109.10149	52.9
111.04444	2.5
111.08080	6.7
115.05426	1.4
116.04733	1.0
117.07014	8.8
119.08572	12.1
121.06518	3.2
121.10129	12.5
123.04413	8.4
123.08076	2.8
123.11695	4.1
125.09618	15.2
127.03951	2.6
129.05473	7.0
129.06999	2.2
131.08566	11.8
133.10115	14.1
135.04395	1.1
135.08076	2.3
135.11700	11.7
137.09657	3.0
139.11230	1.6
142.07765	1.1
143.07040	1.3
143.08557	1.4
143.10730	2.1
145.06470	1.3
145.10092	5.6
147.04402	1.8
147.08044	1.8
147.11693	6.5
149.05997	4.7
149.09641	2.0
149.13249	11.5
149.14330	1.0
151.11218	2.8
153.12769	2.0
155.10692	3.9
157.10196	1.6
159.11679	7.4
163.11156	8.0
165.01891	1.3
165.12743	3.6
171.11678	0.8
173.09676	2.2
173.11731	17.6
173.13145	1.3
175.11285	1.2
177.12767	4.3
179.99651	0.8
181.12262	2.9
185.11772	1.3
189.11244	0.9
190.09523	1.1
191.10645	4.1
193.12206	4.6
195.13803	15.8
195.15434	1.1
199.13277	6.7
203.10744	2.0
209.11717	8.2
211.13245	4.0
213.14912	2.4
217.14330	1.7
227.12756	10.2
229.14337	58.8
239.16476	3.3
249.14934	1.0
257.13867	1.5
265.14340	1.3
267.15909	11.1
269.17462	66.6
271.09836	0.9
273.07819	0.8
283.06247	1.0
283.15405	6.2
285.11267	1.0
297.16986	1.7
301.16425	21.0
313.16638	1.3
323.18771	1.3
325.14453	1.1
326.14893	1.2
339.16016	3.3
340.16501	3.4
353.10413	0.9
357.24344	1.5
367.22870	0.8
393.26617	2.2
411.27237	6.0
422.27014	0.9
423.27359	37.2
431.28107	3.0
449.29144	2.2
459.27625	1.5
477.28583	3.8
482.42169	0.8
495.29492	70.2
496.29837	1.2
513.30591	33.2
657.34540	0.9
693.24060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01852	0.3
55.05494	0.6
57.03428	2.2
57.64850	0.2
59.04989	0.3
67.01857	0.6
67.05490	0.4
68.99837	0.2
69.03423	1.1
69.84451	1.1
69.84865	0.4
70.06586	2.1
71.01328	0.4
71.04984	10.3
72.08150	0.6
73.02908	0.8
73.44438	0.2
75.04467	0.7
79.05485	0.2
79.24677	0.2
81.03396	0.8
82.06568	5.8
83.04972	1.8
84.08133	100.0
85.02895	14.7
85.06554	0.3
85.08469	0.5
86.06077	0.6
87.04457	0.8
91.05480	0.4
95.04986	0.5
97.01882	0.2
97.02889	2.0
97.06555	0.2
98.06036	0.3
98.09697	0.9
99.04442	0.9
100.07600	2.7
101.06026	0.3
103.04041	0.2
105.07041	0.4
107.04929	0.4
107.08581	0.2
108.04466	0.3
109.02877	1.2
111.04434	1.5
112.07603	0.6
119.04949	0.6
121.02879	0.6
121.10141	0.2
123.04404	0.3
125.02348	0.3
127.03893	1.9
128.07062	12.8
129.05478	2.1
130.08624	23.2
131.08893	0.2
137.05951	0.3
138.09181	0.2
139.03795	0.2
145.04926	0.2
145.10223	0.2
147.04396	1.7
147.06514	0.3
151.03891	0.3
153.01805	6.2
153.05344	0.2
163.03877	0.4
167.07048	0.8
168.07283	0.2
170.08047	0.2
171.02872	5.8
172.09665	1.2
175.08385	0.5
175.14813	0.3
178.08720	0.2
179.03273	0.2
193.08684	0.2
195.02939	0.4
200.09212	0.2
202.10768	0.3
203.03418	0.2
210.11261	0.7
212.12804	0.3
226.10680	0.2
228.12239	1.5
232.11765	2.9
236.09285	0.2
238.10706	3.1
239.11493	0.3
240.12637	0.3
254.10258	0.6
255.06442	0.2
256.11774	13.8
257.12399	0.2
261.04095	0.2
273.07523	3.3
274.12820	8.3
283.05804	0.3
290.15860	0.2
295.06079	1.1
307.06107	0.3
309.07437	0.3
321.07666	0.8
325.07007	0.6
333.07449	0.3
335.09180	0.4
342.98944	0.5
347.09174	0.4
349.07196	0.4
351.08591	0.5
361.06964	0.3
363.08627	0.8
366.15521	0.6
367.08075	0.2
375.08710	0.6
379.00345	0.3
379.08325	0.3
384.01376	0.2
384.11441	0.3
384.16467	4.9
385.12991	0.3
393.09808	0.4
402.12024	0.3
402.17538	9.9
420.18616	12.4
421.19223	0.3
424.13788	0.3
445.02094	0.2
448.14368	0.4
478.14728	0.5
496.16150	1.2
505.04462	1.1
510.17831	0.2
514.16974	0.9
528.18683	2.1
546.19666	5.0
615.62451	0.2
642.20972	0.3
660.22064	0.9
674.24683	0.6
692.25293	24.9
693.25531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01870	5.7
55.05507	12.7
57.03434	12.8
57.07042	1.2
59.04995	2.5
61.02924	4.3
65.03917	0.8
67.05502	18.1
68.99773	0.5
69.03424	6.9
69.07066	6.0
71.01312	1.2
71.04990	6.7
71.14748	0.4
72.08073	0.4
73.02877	1.6
79.05484	20.0
81.03412	42.2
81.07050	22.1
82.03704	0.6
83.00888	0.5
83.01329	5.3
83.04975	16.4
83.08616	18.6
85.02898	22.8
85.06491	1.4
87.00758	0.5
89.05565	0.5
89.06026	6.9
90.06313	0.8
91.03947	2.1
91.05476	21.7
93.07036	21.7
94.07376	0.6
95.04961	17.9
95.08064	0.7
95.08603	9.7
97.02291	0.8
97.02881	10.0
97.06002	0.4
97.06519	4.5
97.10157	3.5
98.03192	1.1
98.20713	0.8
99.04456	2.3
99.08061	1.1
103.05457	0.8
105.07024	17.0
107.04288	0.6
107.04941	8.0
107.07862	0.6
107.08589	12.0
109.02880	2.4
109.06507	6.0
109.10161	3.3
111.04455	3.1
111.08072	6.5
113.05965	1.4
115.05395	1.1
117.07001	4.5
119.04884	1.2
119.08572	15.0
121.02843	0.6
121.06513	3.5
121.10131	8.9
123.04426	2.4
123.08060	6.0
123.11656	1.7
125.05955	1.5
125.09595	2.2
127.03903	5.0
127.07505	0.8
128.04321	0.7
128.06187	0.6
129.05511	0.5
129.07002	6.9
130.07751	0.7
131.04907	0.5
131.08565	8.3
133.06494	2.4
133.10124	7.7
135.06461	0.5
135.08067	2.1
135.11679	6.8
137.02272	1.2
137.05992	0.8
137.09642	1.9
139.07512	0.4
142.07814	1.9
143.08528	0.8
145.04932	2.0
145.06403	0.8
145.10110	10.4
147.04347	1.2
147.08049	3.3
147.11679	9.2
149.05943	1.4
149.09619	3.9
149.13271	0.5
151.03967	0.5
151.07510	0.7
151.11211	0.8
153.05437	0.5
153.12776	2.0
154.04938	0.5
155.08495	1.1
157.08910	0.7
157.10117	9.4
161.09541	0.6
162.05452	1.2
163.07481	0.7
163.11166	15.4
165.09076	0.5
165.12691	1.8
167.06946	1.2
173.09584	2.1
173.13197	0.5
174.25233	0.4
175.11172	8.9
181.12170	2.3
189.01689	0.4
189.09073	0.4
190.04994	0.5
191.10612	1.6
193.12238	24.9
199.06104	0.5
207.06529	0.8
209.11716	3.9
211.13278	40.7
212.13634	0.9
227.06740	0.5
227.12750	2.9
255.06361	0.5
265.14310	0.7
267.15906	9.9
268.15985	0.5
283.15378	52.8
284.15793	1.2
285.16943	33.7
309.07465	0.6
311.05261	0.8
313.07022	0.5
322.11948	0.6
323.08978	0.5
324.06274	1.4
325.06760	1.7
333.10669	0.6
335.08878	0.6
336.09470	0.5
337.06824	0.7
339.08591	2.4
340.08960	3.2
350.11145	0.6
351.08405	1.1
352.09045	0.6
360.09601	1.0
361.10422	1.4
363.08591	1.4
364.08984	1.4
365.09903	0.7
367.11719	1.5
375.12265	1.5
376.12726	2.2
378.11044	2.1
379.11334	3.9
383.22165	2.0
393.08325	0.8
393.13260	9.9
394.08487	0.7
394.13666	13.0
395.14142	0.6
401.23181	1.3
404.15851	1.3
405.16202	0.9
406.16064	0.9
406.30515	1.1
411.14349	23.3
412.14703	41.6
413.15009	3.1
424.31268	1.4
457.25632	3.8
475.26920	16.7
493.27930	100.0
494.28409	2.2
654.21167	0.6
672.23047	0.8
690.24353	0.4
691.20490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63372	1.0
51.18105	1.0
53.03942	8.5
55.01881	6.1
55.05507	29.3
57.03437	10.9
57.07065	2.8
59.04988	1.7
59.50754	1.2
65.03938	4.5
67.05502	66.7
68.05832	1.5
69.03424	35.7
69.07062	21.1
71.04990	10.2
73.02907	1.7
79.05489	68.6
81.03413	100.0
81.07053	74.1
82.03718	1.4
83.04975	21.1
83.08617	24.4
85.02901	18.3
85.06573	1.7
91.05476	57.7
93.07038	61.7
94.07389	1.6
95.04961	34.2
95.08598	43.2
97.02888	19.1
97.06520	8.5
97.10162	7.0
99.04451	8.5
103.05479	2.5
105.04523	1.3
105.07021	45.9
107.04961	10.9
107.08591	32.1
107.09290	2.3
109.02869	18.9
109.06498	9.5
109.10152	18.4
110.10508	1.4
111.04444	14.4
111.08055	10.4
113.06036	2.5
115.05459	3.0
116.06235	1.5
117.07007	14.5
119.04953	1.7
119.08575	35.4
121.03006	1.4
121.06512	4.8
121.10139	24.1
123.04432	5.0
123.08047	5.8
123.11716	7.5
125.05940	1.3
125.09653	5.2
127.03905	11.3
128.06216	2.6
129.05484	3.5
129.06993	18.0
130.07770	1.6
131.08543	28.6
133.06476	3.5
133.10130	20.8
135.08069	2.6
135.11688	12.7
137.05934	1.6
137.09587	4.0
141.06992	3.0
142.07813	3.6
143.08553	6.9
145.06549	2.3
145.10101	17.7
145.11125	1.5
147.04384	1.2
147.08072	5.6
147.11681	22.6
147.12769	1.7
149.05986	1.9
149.09618	8.3
149.13206	6.1
153.12755	2.5
154.07802	1.4
155.08578	5.4
157.06522	1.5
157.10107	16.4
159.08041	3.0
159.11687	10.6
159.12695	1.1
161.09621	2.7
161.13268	6.3
163.11162	5.5
163.14842	1.8
165.12791	7.5
167.08615	3.5
169.08904	1.3
169.10150	5.0
171.07980	2.5
171.11700	7.8
173.04453	5.0
173.09647	3.3
173.13239	5.6
175.07660	1.4
175.11168	13.0
175.14775	1.8
177.12785	3.2
181.10124	2.0
181.12251	3.9
183.11780	3.7
184.07234	1.4
185.09653	1.5
185.13266	3.6
187.11230	2.1
187.14893	2.8
191.10643	6.6
193.12218	44.6
195.11731	2.2
197.09589	1.9
197.13284	2.3
199.11206	1.9
199.14917	2.1
200.70792	1.2
201.12717	1.8
201.16507	1.7
203.10471	1.3
205.12279	1.4
209.13364	2.3
211.13261	59.1
213.12816	2.4
227.12782	5.4
229.14342	1.9
235.13330	1.8
243.21179	1.2
244.22630	1.3
259.20605	2.3
261.22198	4.9
265.14499	1.4
267.15808	9.5
273.14999	2.2
273.22266	2.2
277.21613	3.3
285.16940	11.2
289.21616	1.7
301.21722	4.7
303.23074	1.5
313.16400	1.3
317.24860	2.2
319.15506	2.4
319.22736	2.2
321.17340	1.4
327.23355	1.4
335.25790	16.9
337.16650	3.2
341.24991	3.1
351.23080	6.7
355.17557	8.7
363.25366	1.9
369.24295	9.9
371.25717	1.7
387.25241	5.6
393.18939	1.7
405.26602	3.1
411.20032	9.1
443.28052	5.0
453.33798	1.6
461.28824	6.7
527.37335	10.6
545.38318	8.6
569.38623	2.0
597.37988	1.5
615.38544	1.7
635.39240	1.9
653.40662	7.2
671.41486	7.8
689.42542	93.4
690.42542	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	689.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	1.1
69.07011	0.8
71.36222	0.7
71.36562	1.0
79.05423	1.2
81.06974	0.9
91.05428	1.1
93.06997	1.0
105.06944	1.5
113.99570	0.5
130.13399	0.6
131.08484	0.6
135.13718	0.6
153.57582	0.6
170.38733	0.6
183.80164	0.5
222.10899	0.5
223.74001	0.6
310.15155	0.6
313.07086	0.6
335.25525	0.6
348.61642	0.6
384.12067	1.3
385.13068	4.4
386.13818	0.9
394.06805	0.6
397.13110	1.5
398.13629	6.6
399.14450	11.8
400.15356	17.3
401.15872	1.5
411.14426	1.5
412.15283	7.1
413.16046	17.1
414.16870	9.1
416.14688	1.8
418.17712	2.6
419.18185	0.6
424.15341	0.8
425.16321	1.3
426.17679	2.7
427.13269	2.8
427.18311	13.1
428.18585	14.9
429.19342	12.4
430.16574	1.3
439.13272	1.1
440.14725	1.1
441.14688	6.6
442.16202	11.6
443.16901	0.8
444.13788	1.3
445.14224	0.6
445.18967	0.8
446.17010	1.7
454.16666	1.1
455.17096	32.8
456.17737	13.4
457.19489	1.3
458.15656	4.1
459.16605	5.6
460.17300	0.9
469.14056	3.1
470.19843	0.9
471.17093	1.3
472.17661	1.2
473.18317	1.8
481.15021	1.7
482.15674	1.7
483.16641	28.0
484.16144	3.1
485.15823	0.6
486.19159	1.2
487.15915	2.8
487.20880	1.4
488.16583	1.8
494.15878	0.8
495.16547	1.6
498.15262	0.8
499.16116	7.2
500.16516	1.3
501.17795	1.1
509.18338	1.0
511.20355	3.1
513.13251	0.7
515.19244	2.3
516.19647	1.3
523.15942	2.8
524.16803	0.8
527.15466	25.8
528.15808	5.9
529.17950	1.6
537.17938	1.1
538.18372	1.6
539.19092	10.9
540.19556	1.0
542.21729	1.1
543.22382	18.1
544.23102	1.0
551.19568	0.8
555.18494	1.8
556.19568	0.7
557.20435	0.6
558.20728	0.7
569.20190	1.9
571.21820	100.0
572.22137	7.6
573.19611	1.3
574.24176	6.8
580.21594	0.9
586.20685	1.4
587.21350	2.5
601.22949	7.9
602.23651	34.4
603.23889	2.2
614.19812	1.0
615.21069	2.7
617.26001	2.3
629.22357	31.0
630.22815	21.8
631.22644	1.7
633.25537	2.1
643.23682	1.7
657.21820	60.2
658.22388	4.1
661.24994	6.0
689.24420	22.8
689.42340	0.9
690.24792	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	689.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01868	0.2
55.05507	0.3
57.03435	0.6
59.04998	0.1
61.02923	0.5
61.45435	0.1
65.03944	0.2
67.05510	0.5
69.03423	3.5
69.07068	0.3
71.04987	3.6
71.14684	0.2
73.02907	0.4
79.05487	0.3
81.03407	2.6
81.07053	0.7
83.04975	0.6
83.08610	0.1
85.02898	4.5
87.00854	0.2
89.06024	12.3
91.05490	0.3
92.55673	0.1
93.02438	0.1
93.07045	0.4
95.04987	0.3
95.08611	0.5
97.02888	7.4
97.06501	0.1
97.10199	0.1
99.04438	1.2
101.02379	0.1
105.07039	0.3
107.04974	0.1
107.08601	0.3
109.02870	1.9
109.06525	0.2
109.10166	0.4
111.04439	0.6
115.03925	0.2
116.59275	0.1
117.05504	0.2
119.04974	0.1
119.08574	0.3
121.02910	0.1
121.06465	0.1
121.10139	0.2
122.25620	0.1
123.04438	0.2
123.11701	0.2
127.03906	3.6
131.08559	0.1
133.02821	0.2
133.10054	0.1
134.03641	0.3
135.04434	0.1
135.06532	0.2
135.11726	0.2
137.05956	0.3
141.28139	0.1
143.08571	0.1
145.04953	2.2
145.10129	0.1
147.04395	0.3
149.05969	0.2
149.09669	0.1
151.03920	0.5
151.07590	0.1
153.07025	0.1
157.06519	0.1
157.10226	0.1
159.11642	0.1
161.05963	0.1
163.03888	0.1
163.07571	0.1
165.05542	0.1
167.07022	0.6
170.07217	0.1
171.08109	0.1
174.06856	0.1
185.09477	0.1
189.05415	0.1
197.08029	0.2
198.06657	0.2
201.05481	0.3
201.75797	0.1
203.03368	0.2
203.06973	0.2
211.07613	0.1
213.05504	0.5
217.07097	0.3
225.05426	0.2
226.06239	0.3
227.06993	0.5
229.04977	0.4
241.08528	0.1
243.06410	0.1
245.08067	0.2
247.05934	0.5
259.11285	0.1
261.09641	0.7
267.06448	0.2
275.10568	0.2
277.08578	0.1
279.06552	0.3
279.10010	0.1
280.07385	0.1
283.06226	0.1
287.10626	0.2
289.08398	0.2
293.08148	0.3
294.12469	0.2
295.06094	0.2
296.06726	0.1
297.07425	0.1
303.10184	0.5
304.10901	0.2
305.11734	0.2
307.09558	0.7
308.06680	0.3
309.07431	0.2
311.05518	0.2
312.06232	0.1
313.07095	0.3
315.10233	0.1
317.08148	0.2
318.08957	0.1
319.05905	0.2
319.09439	0.2
321.07410	0.4
321.11270	0.5
322.11990	0.3
323.05692	0.2
323.09143	0.6
324.06253	3.9
325.06839	0.3
326.07922	0.1
327.08646	0.3
331.09613	0.4
332.10431	0.5
333.11047	0.3
335.05713	0.1
335.09085	1.5
336.06293	1.4
336.09879	0.3
337.06940	0.3
337.10614	0.2
339.08618	7.3
340.09042	0.2
343.09604	0.4
345.07404	0.3
346.08191	0.1
347.08963	0.1
349.06998	0.6
349.10690	0.5
350.07663	0.6
350.11331	0.5
351.08597	2.0
351.12103	0.4
353.10208	0.4
357.10181	0.2
359.08948	0.5
360.09842	2.8
360.14310	0.1
361.10522	0.5
363.08585	4.0
363.13062	0.2
364.09329	0.9
365.10123	1.0
365.13968	0.3
369.09775	0.3
375.12256	4.8
377.10251	0.6
378.10965	8.3
379.11420	0.3
381.09384	0.1
387.29007	0.1
393.13290	33.8
394.13574	1.0
396.11826	0.8
403.15414	0.3
404.15555	0.5
405.16196	0.8
405.29953	0.2
409.12827	0.1
411.14334	100.0
412.14761	2.8
423.17508	0.2
423.30792	0.4
441.32132	0.2
453.15240	0.2
606.82513	0.1
609.22247	0.3
653.21356	0.9
671.22650	0.6
689.23743	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	689.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02335	0.2
53.03944	2.5
55.01831	0.4
55.05505	1.5
57.03444	0.8
59.04972	0.3
61.02920	0.8
66.30576	0.1
67.05467	0.7
67.05813	0.1
68.39755	0.1
69.03426	6.8
69.07041	0.2
71.01339	0.2
71.04989	1.4
73.02914	1.3
79.01830	0.1
79.05456	0.4
81.03410	8.0
81.07015	0.4
83.01292	0.2
83.04976	1.5
83.08582	0.2
85.02899	13.6
87.04443	0.3
90.01859	0.1
91.05471	1.1
93.06975	0.4
95.04952	0.5
95.08580	0.4
97.02889	7.0
99.04448	11.5
103.03937	7.1
103.55934	0.1
104.74176	0.1
105.06995	0.4
107.04906	0.3
107.08585	0.3
109.02872	10.4
109.10118	0.2
111.04411	0.2
115.03888	0.4
117.06977	0.2
119.04939	0.9
119.08543	0.3
121.02813	0.7
121.10098	0.2
123.04420	0.4
127.03909	18.8
128.04247	0.2
131.04890	0.4
133.02800	0.1
133.10045	0.2
135.04436	0.2
135.08018	0.2
137.05905	0.2
141.05479	0.2
145.02777	0.3
145.04945	4.9
147.04393	2.6
151.07574	0.2
159.04381	0.2
163.03903	0.4
163.06023	0.8
165.05479	1.3
167.07018	0.5
169.04982	0.2
179.08534	0.3
181.04927	0.5
182.07202	0.3
183.08049	0.1
186.13789	0.2
187.03728	0.1
187.04480	0.2
187.06003	1.5
190.88374	0.2
191.03362	1.5
197.09605	0.3
199.06021	0.2
205.06853	0.2
207.08058	0.3
209.04419	1.7
210.06741	0.3
225.09053	0.4
227.09125	0.2
239.07039	0.2
253.08508	0.6
255.06421	0.6
263.07175	0.2
271.07993	0.9
280.07242	0.2
281.08090	3.2
283.05789	0.2
289.09323	0.2
291.06534	0.7
295.06213	0.3
297.07565	0.7
308.06894	0.5
309.07538	100.0
310.04724	0.2
310.07843	3.4
315.08588	1.5
321.07492	0.2
323.09140	0.2
325.07095	1.3
327.08612	17.3
328.08963	0.4
333.07626	0.4
337.07004	0.3
339.08728	0.3
347.09009	0.2
349.10660	0.2
351.08597	2.1
365.13831	5.3
375.08554	0.2
381.13602	0.2
383.14859	61.6
384.15244	1.7
385.08957	0.2
405.29675	0.2
409.13016	0.2
423.18082	0.3
423.31158	0.2
435.10703	0.2
441.15311	0.2
453.11874	0.7
471.12973	1.7
489.13690	0.5
513.16315	0.2
527.19116	1.3
545.20160	3.2
553.17108	0.3
571.17767	0.7
579.14087	0.3
585.15680	0.3
597.16034	0.6
615.17493	0.7
627.24347	2.1
629.21722	0.3
633.18054	1.3
653.22205	2.7
671.23364	2.4
689.24268	3.2
690.23645	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	689.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97065	0.2
53.03940	0.8
55.01862	0.2
55.05504	0.2
55.85353	0.1
57.03423	0.5
61.02914	0.3
62.90612	0.2
67.05482	0.3
69.03426	2.9
71.04986	3.3
72.08088	0.1
73.02890	0.4
75.77647	0.2
78.57477	0.2
79.05491	0.2
79.89223	0.2
81.02975	0.2
81.03413	2.1
81.07036	0.7
83.04965	0.7
85.02895	3.7
89.06026	10.8
91.05469	0.2
93.07068	0.3
95.04971	0.3
95.08608	0.4
97.02886	6.6
97.03508	0.4
98.20782	0.4
99.04443	1.2
101.02338	0.2
105.07027	0.2
105.15475	0.2
107.08569	0.3
109.02879	2.3
109.10155	0.3
111.04440	0.4
115.03902	0.2
117.05525	0.3
119.08560	0.2
121.10103	0.3
123.04424	0.3
127.03902	3.6
133.02802	0.2
134.03568	0.3
135.06558	0.3
137.05957	0.3
142.67912	0.2
145.04956	2.3
147.04366	0.3
149.06023	0.3
151.03943	0.4
159.11728	0.2
161.05858	0.2
163.03896	0.2
167.07060	0.5
175.03972	0.2
177.05605	0.2
201.05435	0.2
203.06990	0.2
213.05530	0.3
226.06288	0.2
227.06984	0.5
229.05029	0.2
239.03404	0.2
247.05917	0.4
251.06952	0.2
257.11783	0.2
261.09583	0.6
262.08359	0.2
279.06555	0.2
287.10623	0.2
289.08560	0.2
293.07941	0.3
297.48950	0.2
303.10318	0.4
304.10864	0.4
307.05746	0.2
307.09506	0.5
308.06769	0.4
309.07483	0.2
315.10162	0.2
319.09692	0.2
321.07443	0.5
321.11240	0.5
322.08243	0.2
322.11966	0.2
323.05545	0.3
323.09143	0.6
324.06265	4.1
325.07141	1.0
327.08511	0.4
331.09464	0.3
332.10526	0.6
333.11154	0.3
335.05542	0.3
335.09000	1.4
336.06293	1.1
336.09818	0.4
337.07004	0.3
337.10483	0.3
339.08594	8.4
339.12686	0.4
340.09106	0.4
343.09616	0.3
345.07544	0.2
346.08249	0.3
349.07019	0.5
349.10818	0.4
350.07733	0.7
350.11499	0.2
351.08557	2.4
351.12134	0.2
352.09131	0.2
353.10245	0.4
357.09909	0.6
359.09085	0.5
360.09909	3.2
361.10574	0.5
363.08585	4.2
363.12955	0.2
364.09464	0.9
365.10141	1.0
365.14093	0.3
369.09555	0.4
375.12268	4.5
376.12515	0.3
377.10184	0.8
378.10959	8.7
379.11365	0.6
393.13297	30.7
394.13651	1.6
396.11859	0.5
405.29672	0.3
411.14346	100.0
412.14691	3.9
453.15347	0.2
457.18408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01865	0.9
55.05526	0.3
57.03438	1.2
59.05042	0.1
61.02921	1.1
67.05487	1.0
69.03425	6.6
69.07088	0.6
69.40308	1.4
70.06609	0.3
70.07399	0.1
71.01353	2.4
71.04995	1.3
72.08161	0.2
73.02924	0.9
79.05509	0.6
81.03415	4.2
81.07049	1.2
83.01339	0.2
83.04983	0.3
83.08628	0.2
84.04523	0.1
84.08162	0.2
85.02901	12.5
85.06551	0.4
87.04493	0.4
89.02388	3.7
89.06038	0.2
91.03980	0.5
91.05505	0.6
93.07024	0.8
95.04963	0.3
95.08611	1.0
97.02888	4.6
97.03484	0.2
97.10217	0.2
99.00846	0.3
99.04439	1.3
101.02409	0.6
103.03953	0.3
105.07059	0.5
107.04977	0.4
107.08615	0.7
109.02875	3.3
109.03564	0.2
109.06543	0.4
109.10137	0.9
113.06023	0.2
115.03969	0.3
117.07052	0.3
119.04964	0.3
119.08594	0.4
121.06583	0.3
121.10175	0.6
123.04413	0.2
123.11710	0.3
123.98891	0.2
125.06010	0.2
127.03915	7.8
128.44431	0.1
133.02864	0.2
133.06508	0.2
133.10165	0.6
134.03625	0.3
135.02908	0.2
135.08072	0.2
135.11749	0.3
137.02391	0.1
137.06027	0.5
139.07541	0.1
141.05479	0.2
143.03413	0.2
143.08670	0.2
145.04961	3.6
145.06219	0.2
145.10144	0.3
147.04453	0.6
147.11722	0.3
149.06017	0.3
149.09633	0.2
149.13284	0.2
151.03938	0.4
151.07585	0.2
157.10165	0.2
159.11656	0.3
165.05560	0.2
167.07042	2.3
171.02908	0.2
175.04004	0.2
175.07578	0.3
175.14830	0.2
177.09169	0.2
183.07970	0.2
183.84184	0.1
187.04060	0.2
189.04022	0.5
191.10585	0.2
193.08711	0.3
201.05502	0.3
213.05536	0.5
213.09206	0.2
215.10649	0.2
219.17465	0.2
225.05403	0.2
227.07043	0.6
229.05176	0.3
233.06618	0.2
243.05081	0.4
247.06062	0.5
261.06049	0.7
261.08929	0.3
262.08463	0.3
267.06506	0.2
276.11328	0.2
279.06598	0.3
281.07776	0.2
293.08035	0.3
295.06262	0.3
295.09589	0.2
296.06818	0.4
303.10175	0.6
305.08307	0.2
307.06183	0.2
307.09573	0.5
308.06781	0.5
309.07550	1.7
311.05365	0.2
313.07065	0.3
315.10159	0.3
317.08096	0.3
318.08911	0.3
321.07568	1.0
321.11319	0.6
323.09189	0.6
324.06274	3.5
325.07037	0.6
331.09445	0.3
332.10379	0.3
333.11307	0.4
334.08130	0.2
335.09073	1.6
336.06320	1.1
336.09988	0.4
337.07147	0.5
338.08051	0.2
339.08606	6.7
343.09503	0.3
345.07617	0.2
345.11261	0.9
346.08362	0.4
347.09192	0.2
348.09982	0.2
349.07031	0.5
349.10907	0.4
350.07736	0.5
350.11407	0.3
351.08597	2.0
351.12372	0.3
353.10046	0.5
357.10092	0.3
359.09158	0.5
360.09927	2.3
361.06787	0.2
361.10477	0.7
363.08560	3.7
363.12375	3.8
364.09326	0.9
365.10150	1.2
365.13943	0.3
369.09683	0.2
375.12277	5.0
377.10202	0.8
378.10965	8.0
379.11542	0.3
381.13358	8.2
385.09738	0.2
387.28903	0.3
391.12097	0.2
393.13303	30.9
394.13736	0.8
396.12238	0.8
405.13422	0.2
405.29999	0.5
411.14352	100.0
412.14615	1.8
423.14273	0.6
423.31226	0.8
435.14310	0.4
441.15222	0.2
453.15546	0.4
473.28836	0.2
543.18658	5.9
584.55457	0.2
671.19800	0.2
689.20367	1.3
689.39484	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	688.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86053	0.5
52.55360	0.5
55.05519	0.4
59.04980	0.5
67.05498	1.9
68.05840	0.5
69.65201	1.5
69.65633	1.9
77.03916	0.6
79.05488	4.6
81.07053	1.0
87.04472	2.6
89.06028	18.9
91.05476	2.1
93.07037	2.6
95.04966	2.3
95.08578	0.8
103.05455	3.5
105.07022	100.0
106.07366	0.7
107.07048	0.9
107.08615	0.5
109.10126	1.7
119.08572	1.1
121.06494	9.0
127.77114	0.4
129.06979	0.5
130.08652	0.6
131.07031	1.2
131.08575	2.5
133.08595	13.7
147.08052	1.3
149.09612	0.5
165.06943	0.4
165.09151	2.5
173.11699	0.7
175.09674	0.6
176.49794	0.4
177.11224	6.3
184.07300	0.8
196.80414	0.4
209.11652	0.7
209.13339	0.6
225.12714	3.2
229.14313	1.2
230.14664	0.9
231.14653	0.4
251.14278	3.9
262.22403	0.5
269.15295	3.5
271.15396	0.9
313.17987	1.7
315.18091	0.6
327.17450	0.7
329.18896	2.3
335.25967	0.4
336.26190	0.8
337.26434	0.8
359.20575	12.2
373.21735	2.2
375.21655	1.0
383.01282	0.6
391.94089	0.6
419.24246	0.7
463.26880	26.4
464.27292	0.6
477.27936	0.7
491.36273	0.9
567.33264	5.7
650.98224	0.5
671.38568	0.6
688.41760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20261	0.3
53.03935	1.1
53.81197	0.3
55.01839	0.3
57.03409	0.5
59.05009	0.5
67.05492	2.4
68.05808	0.3
70.32676	1.7
73.06561	0.4
77.03917	0.5
79.05489	4.5
81.07052	1.7
85.95203	0.4
86.09701	0.8
87.04454	3.5
89.06026	18.2
91.05444	1.8
93.07018	2.5
95.04993	2.6
95.08575	0.6
96.08959	0.4
103.05460	3.4
105.07023	100.0
106.07336	1.6
107.07042	1.2
107.08588	0.9
109.10165	1.6
110.10530	0.4
117.07036	0.4
119.04961	0.5
119.08604	1.2
121.06506	8.7
121.10118	0.5
129.06996	0.7
130.08659	0.7
131.07005	0.5
131.08560	2.3
133.08591	11.4
133.10118	0.6
147.08057	2.0
149.09587	0.5
165.09097	2.4
173.11906	0.5
175.09682	0.4
177.11208	5.7
177.12671	0.5
184.07315	2.0
197.09377	0.5
209.11670	0.9
209.13448	0.7
221.13814	0.9
223.11134	0.5
225.12735	3.9
229.14357	0.9
230.14673	0.6
235.13101	0.6
239.14862	0.3
249.12886	0.4
251.14305	3.1
265.16501	0.5
269.15329	2.7
270.52246	0.4
271.15417	1.8
272.05075	0.3
313.17953	1.0
315.18027	0.5
327.17526	0.7
329.18942	2.3
335.25894	0.7
336.26196	0.8
337.26572	0.6
356.79263	0.4
357.20987	0.5
357.84216	0.4
359.20621	10.5
373.21591	1.6
375.21658	0.7
419.24326	1.1
463.26862	25.1
464.27298	1.1
477.27719	1.0
490.35770	0.5
491.36261	1.1
567.33044	5.2
697.34106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.8
55.01868	4.4
55.05506	8.5
55.05759	0.3
57.03432	7.3
57.07036	0.7
59.04992	2.0
61.02922	3.2
65.03904	0.5
67.05499	7.1
69.03418	2.8
69.07059	2.5
69.31325	2.5
71.01307	0.8
71.04651	0.2
71.04980	2.4
71.08591	0.2
73.02914	1.0
77.03886	0.2
79.05486	11.2
81.03412	8.7
81.07050	10.9
82.03735	0.2
83.01334	6.5
83.04974	7.7
83.08613	7.8
85.02895	6.4
85.06490	0.8
85.07036	0.2
87.00777	0.4
87.24272	0.2
91.03946	1.5
91.05469	7.9
93.07036	15.8
94.07320	0.3
95.04361	0.3
95.04956	4.7
95.08055	0.3
95.08598	5.1
97.02882	3.6
97.06535	3.0
97.10126	0.9
99.04449	2.4
99.08050	0.6
103.05412	0.3
105.07021	6.0
107.04945	5.6
107.08585	8.3
109.02835	1.3
109.05785	0.3
109.06507	5.1
109.10138	1.5
111.04432	1.9
111.08073	1.4
111.11679	0.3
113.05985	0.2
117.07008	4.4
117.09093	0.2
119.08571	5.9
121.06499	2.6
121.09335	0.3
121.10135	4.9
123.04439	1.0
123.08067	6.1
125.06008	1.7
125.09593	1.1
127.03904	1.6
127.07517	0.2
128.06123	0.5
129.05435	0.4
129.06958	0.8
130.07747	0.9
131.04897	0.5
131.08554	2.4
133.10141	1.3
135.08075	1.5
135.11676	8.7
137.05923	0.4
137.09599	1.6
139.07510	0.6
143.08493	0.6
145.04932	0.4
145.06429	0.7
145.10110	11.6
146.40970	0.2
147.04349	0.2
147.08015	1.6
147.11641	0.6
149.05920	0.4
149.09596	0.7
151.11136	0.3
153.12704	2.0
155.08496	0.9
159.04399	0.4
159.11687	0.2
160.04752	0.3
163.04001	0.2
163.11163	18.2
164.44144	0.2
165.09058	0.3
167.06969	0.4
173.09596	2.6
177.05482	0.2
181.12225	2.9
185.49132	0.2
187.07468	0.5
191.10649	2.4
209.11725	5.1
213.05478	1.4
214.05757	0.9
227.12746	2.9
283.15366	100.0
284.15701	1.2
295.06012	1.5
309.07401	0.2
310.08319	0.2
311.05194	0.3
322.08176	0.2
325.06943	0.7
337.06961	0.3
339.08145	0.2
346.08041	0.5
347.08734	0.5
351.08771	0.3
361.10550	0.4
362.11075	0.9
363.12140	0.4
364.09048	0.5
364.12692	0.7
365.09778	1.3
366.10385	0.3
367.11789	0.4
379.11752	3.5
380.12073	6.1
381.13254	1.8
382.13620	2.7
411.14417	0.3
421.16632	1.3
422.16864	4.3
423.17700	0.3
439.17416	1.6
440.17606	3.4
441.18417	0.3
473.25497	0.6
491.26361	48.9
492.26846	0.6
599.17944	0.3
602.23840	0.3
626.23169	0.4
628.17432	0.5
670.22205	1.5
671.22974	0.3
688.23035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01828	1.5
55.05465	1.0
57.03427	2.5
60.59093	0.3
61.02873	1.4
62.62012	0.3
65.03891	0.4
65.89777	0.4
66.70773	0.3
67.05489	2.5
68.99736	1.0
69.03421	12.0
69.07021	1.3
69.42625	1.8
69.43053	1.5
71.01308	0.5
71.04929	1.3
73.02911	2.8
79.05434	1.4
81.03409	9.1
81.07039	2.2
83.01297	0.5
83.04922	1.1
83.08575	0.5
85.02898	13.5
86.00094	0.3
87.00828	3.3
87.04406	0.8
91.05452	1.8
93.07033	1.6
95.04922	0.9
95.08543	1.4
97.02880	6.7
97.06503	0.3
99.04442	3.5
99.39782	0.3
101.02332	0.7
103.03922	1.8
103.30276	0.4
105.01815	1.4
105.03326	0.4
105.06956	1.1
107.04935	1.9
107.08570	1.6
109.02866	7.0
109.06448	0.7
109.10106	1.3
111.08073	0.5
115.03885	0.5
117.07023	0.3
119.04888	1.2
119.08507	0.9
121.02850	4.7
121.06427	0.7
121.10062	1.0
122.64705	0.3
123.04389	0.8
123.08020	0.4
123.11672	0.5
125.05950	0.4
125.09593	0.4
127.03903	9.3
129.01767	1.0
129.06888	0.4
131.04880	0.5
131.08516	0.6
133.02780	0.6
133.06496	0.4
133.10043	0.8
135.04402	2.3
135.07974	0.4
135.11612	0.4
137.05872	0.6
139.07515	0.4
143.08513	0.5
145.04947	1.7
145.06419	0.9
145.10048	0.3
147.04356	1.1
147.11641	0.6
149.05949	0.4
149.09567	0.5
151.07451	0.4
155.08534	0.5
157.06448	0.8
157.10091	0.4
159.02841	0.9
159.04381	0.9
159.08015	0.5
159.11636	0.6
160.20578	0.3
161.05875	0.5
163.03845	0.5
165.09062	0.4
167.07001	1.0
167.08385	0.3
169.06320	0.5
171.04324	0.6
171.07959	0.7
173.05890	0.5
173.13155	0.5
175.14732	0.4
177.05365	0.3
183.07942	0.6
185.05939	0.5
185.13214	0.5
187.05962	1.0
187.07500	1.1
189.05345	0.8
189.08855	0.4
193.10101	0.5
195.08076	0.4
195.11595	0.4
197.05954	0.5
199.07460	0.8
201.05441	0.5
203.06912	0.6
208.22777	0.4
211.07451	0.8
213.03752	0.4
213.05501	4.9
221.09468	0.7
223.11133	0.7
225.05396	0.5
225.09070	0.7
226.09799	0.5
227.06952	0.7
229.04979	0.4
232.08754	0.4
235.11069	0.4
239.06963	0.5
239.10599	0.5
241.12195	0.4
243.06467	0.4
245.09531	0.6
247.11116	0.6
249.09099	1.0
251.06992	0.4
253.08545	0.4
255.06479	0.4
257.09543	0.4
257.26935	0.4
259.11111	0.5
260.08316	0.4
265.08356	0.4
267.10080	1.2
273.08734	0.4
274.09830	0.7
275.10519	0.5
276.07916	0.3
277.08636	0.7
279.06567	0.4
283.06012	0.7
287.10745	0.8
289.08643	0.6
291.10107	0.6
293.07925	0.4
295.06006	5.9
299.10638	0.5
300.07950	0.4
300.11346	0.3
303.10101	2.1
305.07965	1.3
306.09109	0.5
307.05896	2.1
307.09628	1.0
309.07507	0.9
311.05405	0.8
313.07370	0.3
315.10056	1.3
317.08194	0.8
318.08713	1.3
319.09598	2.2
320.10590	0.4
321.07477	3.0
321.10852	0.6
323.09372	0.4
324.11493	0.9
325.06927	0.4
327.10025	1.3
328.10898	0.4
329.08188	0.4
331.09637	9.9
332.10040	0.6
333.07535	1.3
333.11154	1.8
334.08243	1.4
335.09116	0.9
337.07144	0.5
337.10666	0.5
339.08417	0.3
341.07904	0.4
341.11679	0.9
343.09689	3.9
345.07455	1.1
345.11221	1.8
347.09027	2.6
347.12607	0.5
348.09790	1.2
349.10675	24.4
350.11160	0.4
355.09531	3.7
355.13483	0.4
356.10425	0.6
357.10889	0.6
357.14764	1.4
359.08929	0.8
359.12781	1.4
361.10641	4.8
361.14606	0.8
363.12292	1.6
364.12643	0.5
365.09741	0.4
367.13275	2.2
369.11249	1.6
370.11862	1.8
371.13019	0.4
373.10580	2.7
373.14560	0.5
375.11819	1.5
375.16071	1.2
379.11551	0.5
381.13275	1.0
385.14337	10.1
387.11948	1.7
388.13144	1.6
391.11719	0.7
402.14624	0.6
403.15372	100.0
404.15625	1.2
411.14365	0.9
415.15488	0.7
421.16446	11.2
421.28583	0.8
427.15155	1.8
431.14862	0.9
439.17197	0.5
439.30319	0.7
445.16409	5.0
467.14761	0.3
511.15985	0.9
529.17468	0.6
547.19434	0.4
553.17017	1.3
565.20667	8.2
571.18066	0.4
583.21545	4.5
589.21576	0.3
597.16064	4.1
607.21710	19.6
615.16687	2.2
625.22742	2.6
633.19611	3.1
651.20636	59.5
652.20825	0.5
669.21692	22.2
687.22662	1.7
687.34723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01850	0.5
55.05518	1.0
57.03433	0.9
57.07044	0.2
59.04971	0.3
60.41201	0.2
61.02896	0.7
65.03919	0.2
67.05509	1.3
68.99752	0.3
69.03426	4.3
69.07026	0.5
70.06574	0.4
71.01344	0.2
71.04990	1.0
71.62601	0.3
72.08114	0.4
73.02914	1.1
76.81886	0.2
79.05439	0.6
80.19263	0.2
81.03416	5.6
81.07058	1.2
83.04935	0.8
83.51353	0.2
85.02902	8.3
85.06475	0.2
87.00792	0.2
87.04451	0.4
91.03912	0.3
91.05430	0.6
93.07047	1.0
95.04925	0.4
95.08624	1.1
97.02886	3.9
97.06486	0.3
99.04449	6.7
101.02367	0.4
103.03944	3.0
105.06982	0.8
107.04917	0.4
107.08556	0.8
109.02876	5.9
109.06472	0.2
109.10156	0.8
115.03889	0.4
119.04893	0.5
119.08555	0.7
121.02841	0.7
121.06489	0.3
121.10111	0.5
123.04446	0.4
123.08054	0.3
123.11646	0.3
124.63596	0.2
125.05943	0.3
127.03909	9.8
131.04825	0.2
133.10100	0.5
134.03584	0.3
135.08017	0.3
135.11690	0.2
137.06003	0.4
139.07516	0.2
143.08548	0.3
145.04945	1.6
145.10115	0.4
147.04396	0.7
147.11627	0.3
149.06029	0.3
149.09624	0.2
151.03854	0.4
151.07501	0.5
153.05383	0.2
159.04399	0.2
161.05962	0.3
161.13203	0.3
163.03835	0.3
167.03368	0.2
167.07033	2.1
168.07341	0.6
171.11707	0.2
175.14803	0.3
177.05400	0.2
187.05983	0.5
189.01823	0.3
189.05374	0.3
191.03409	0.2
191.10632	0.2
193.08475	0.2
195.02840	0.5
207.06441	0.2
211.02351	0.3
213.05371	0.2
215.07005	0.6
226.06195	0.3
232.07245	0.3
233.08049	0.2
235.06038	1.6
237.05447	0.4
250.08444	0.9
251.07198	0.2
254.05894	0.2
265.04956	0.2
267.06442	0.5
268.07120	0.3
277.08572	0.5
279.06384	0.2
282.05234	1.7
283.06042	1.7
289.08798	0.2
291.06839	0.3
291.10138	0.8
292.10751	0.2
293.04620	0.2
293.08234	0.3
293.11646	0.3
295.06088	3.8
295.09561	0.6
296.06918	0.3
297.07562	3.5
298.04651	0.6
299.05463	0.5
303.10141	0.4
305.07712	0.2
307.06064	1.8
307.09537	0.4
309.03909	3.5
309.07541	0.8
309.11273	0.8
310.04877	0.4
310.12033	0.3
311.05499	14.5
311.08841	0.7
312.06213	3.7
313.07086	1.2
315.04926	0.4
315.08472	0.2
319.06064	0.3
319.09589	0.3
321.11124	0.5
323.05743	0.4
323.09103	6.6
324.06168	1.6
325.07056	3.4
326.07816	0.2
327.05017	1.1
327.08551	8.0
331.09637	0.7
333.07474	0.3
334.08151	0.4
335.09161	0.9
336.06299	0.4
337.06982	1.5
337.10764	2.1
338.07782	0.7
339.08661	2.2
341.09976	0.3
345.11148	0.3
347.09073	1.7
348.09937	2.4
349.10672	1.4
350.07745	0.2
350.11407	0.3
351.08636	5.6
353.06433	0.4
353.10245	0.9
361.10822	0.3
363.08502	0.2
363.12219	4.5
365.10175	3.9
366.10959	8.9
367.11484	0.4
371.11102	0.3
379.11792	1.1
381.13306	100.0
382.13629	1.7
383.11218	5.4
393.13281	0.5
403.15533	0.4
409.12592	0.3
411.14264	0.5
421.16489	0.7
421.33423	0.5
423.14572	0.9
425.11963	0.4
439.17590	2.8
439.35013	0.2
473.10675	0.3
489.14966	0.2
529.16449	0.3
537.59448	0.2
543.18616	2.3
545.16479	0.5
579.94360	0.2
587.17603	2.5
601.22974	0.5
613.15424	0.5
625.12494	0.2
625.22656	4.1
627.21033	0.3
631.16528	6.9
643.23901	0.8
651.20508	2.9
669.21423	4.0
687.22729	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01856	1.3
55.05471	0.9
57.03436	1.7
57.28009	0.2
59.04932	0.3
61.02914	1.3
67.05499	2.0
68.99740	1.0
69.03423	9.3
69.07016	0.9
71.01313	0.4
71.04988	1.5
71.64064	0.3
73.02908	1.5
79.05478	2.5
81.03410	7.4
81.07056	1.8
83.01292	0.4
83.04956	0.6
83.08597	0.3
85.02895	9.0
87.00821	2.8
87.04406	0.4
89.03884	0.4
90.23213	0.2
91.05450	1.7
93.07035	2.0
95.04921	0.9
95.08545	1.1
97.02294	0.2
97.02882	3.9
97.06475	0.4
97.10113	0.3
99.04448	2.6
103.03875	1.0
105.01798	1.0
105.07025	1.7
107.04951	1.2
107.08517	1.0
109.02868	5.2
109.06442	0.4
109.10160	0.5
111.04443	0.4
115.05431	0.5
117.01807	0.5
117.03281	0.3
117.07018	1.6
118.12212	0.2
119.04954	0.3
119.08514	1.0
120.08839	0.2
121.06400	0.3
121.10127	0.4
123.04449	1.2
123.07994	0.3
123.11671	0.3
127.03904	6.4
128.06143	0.2
129.01782	0.8
129.06973	1.3
131.08533	0.7
133.10040	0.7
134.03590	0.5
135.04373	1.0
135.07991	0.6
135.11641	0.6
137.02272	1.1
141.06996	0.4
142.07701	0.3
143.08514	0.4
145.04944	1.2
145.06444	0.4
145.10095	0.5
147.04352	0.6
147.11711	0.3
149.05940	0.3
153.01770	0.6
153.07014	0.3
155.08481	0.3
157.06422	1.0
159.02798	1.0
159.04170	0.4
159.07957	0.3
161.02266	0.6
161.13243	0.3
169.06416	0.7
171.04361	0.8
171.11639	0.6
177.01825	0.7
179.03276	0.3
181.06445	0.5
185.06018	1.4
187.05919	0.6
187.07582	0.3
189.04138	0.2
189.05460	2.5
192.09340	0.4
195.02858	1.4
199.07574	0.3
202.07716	1.5
203.06952	1.0
207.02795	0.4
207.11781	0.4
207.13669	0.6
209.09589	0.3
213.05499	3.0
217.10141	3.1
219.07941	0.5
220.08754	0.3
221.06032	0.3
225.05450	0.3
229.10254	0.3
231.06473	1.4
233.09727	0.3
235.07565	0.3
235.11189	0.8
237.09027	0.5
239.06931	0.3
245.09601	5.8
247.07484	1.3
248.08278	1.2
257.04330	0.3
258.06631	0.4
261.09067	0.5
262.09845	0.3
263.07059	0.3
263.10605	1.4
265.08588	0.4
269.04321	0.4
273.09076	2.7
274.09958	0.4
275.06989	1.8
276.07816	1.3
277.08572	0.4
281.17365	1.2
282.17865	0.5
283.06317	0.6
283.15445	1.3
284.15582	0.4
289.08600	0.4
290.09418	0.5
291.10114	3.5
293.07993	0.6
295.06027	0.8
299.05533	0.8
301.08591	1.7
304.07349	0.3
305.08136	0.6
307.05981	0.3
308.06827	0.6
309.07492	0.6
309.11057	0.6
310.04526	0.3
311.05469	27.4
312.05811	0.7
317.08145	0.4
318.08734	0.4
319.09607	13.0
321.07498	0.9
322.08255	0.7
323.05423	2.7
323.09137	2.6
325.06854	0.8
329.08047	2.1
333.07571	0.3
335.05206	0.3
336.06274	0.5
337.06964	1.1
337.10739	1.2
345.07529	0.3
346.08264	1.2
347.09106	59.1
348.09506	0.9
349.07013	1.3
350.07822	2.1
353.10114	0.8
361.10876	0.6
363.08377	0.4
364.09476	1.4
365.10156	100.0
366.10699	1.8
367.11835	0.7
377.10141	0.4
383.11227	1.2
389.10193	1.0
407.11069	2.3
421.16415	35.1
422.16620	0.6
439.17221	0.4
463.17920	0.4
489.28494	2.3
490.28885	2.2
507.24048	0.5
509.14279	0.4
515.11694	0.4
527.15350	4.5
559.10730	1.2
569.16461	10.7
571.18085	0.6
583.21698	13.3
587.17273	0.3
595.15009	1.5
604.64288	0.3
613.15448	21.0
614.15704	0.4
615.16919	3.0
625.22748	11.3
631.16620	0.9
651.20544	4.0
669.21643	43.5
670.22302	1.1
687.23303	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	687.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
53.63945	0.4
55.01831	1.4
55.05495	0.7
55.17140	0.4
57.03434	2.9
57.07045	0.4
57.39498	0.4
58.24691	0.3
61.02921	2.2
64.42262	0.3
65.03915	0.8
67.05499	2.6
67.77053	0.4
68.99750	1.1
69.03422	14.7
69.07069	1.8
71.01323	0.6
71.04981	2.7
71.36060	0.6
73.02908	2.8
79.05498	1.9
81.03415	10.7
81.04141	0.4
81.07058	2.3
83.01301	0.4
83.04988	0.9
83.05437	0.4
85.02901	15.8
85.07621	1.1
87.00832	3.6
87.04433	0.9
91.03940	0.5
91.05455	1.7
93.07027	1.8
95.04926	1.4
95.08620	2.1
97.02886	8.2
97.06495	0.6
99.04446	4.3
101.02331	0.5
103.03945	2.7
103.05470	0.6
105.01810	1.4
105.07019	1.8
107.04951	2.6
107.08549	1.6
108.73616	0.4
109.02867	8.3
109.06466	0.8
109.10109	1.4
111.04385	1.0
112.11957	0.4
115.03895	0.7
117.07047	0.6
118.04225	0.4
119.04908	0.9
119.08540	1.0
119.68473	0.3
121.02858	3.9
121.06470	1.1
121.10099	1.4
122.57499	0.3
123.04424	2.3
123.08004	0.5
123.11657	0.7
125.09586	1.0
127.03907	11.5
129.01797	1.0
129.06932	1.0
131.04916	0.7
131.08507	0.8
133.02817	0.9
133.06435	0.7
133.10072	1.3
135.04404	2.4
135.08054	0.7
137.05956	0.7
142.24884	0.3
143.08502	0.4
145.02895	0.4
145.04904	2.1
145.06430	0.7
145.10165	0.7
146.20537	0.4
147.02777	0.5
147.04361	1.8
147.11653	0.6
149.05916	0.5
149.09592	0.4
149.13263	0.4
151.03961	0.5
151.07516	0.6
153.05486	0.5
153.06763	0.4
155.08479	0.6
157.06479	0.7
159.02867	1.2
159.04388	1.8
159.08015	0.7
159.11620	0.6
161.02350	0.4
161.05904	0.4
161.09613	0.4
161.13272	0.3
163.03957	0.5
163.07349	0.5
165.05544	0.4
165.09169	0.4
167.07045	1.8
169.10146	0.7
171.08023	0.6
173.05908	0.4
173.13264	0.7
175.11110	0.5
177.05400	0.5
179.08420	0.6
183.08018	0.8
187.05925	1.3
187.07513	1.2
189.05458	1.0
189.16393	0.4
191.03374	0.5
191.10585	0.4
193.10097	0.8
195.11789	0.4
197.05899	0.6
197.13249	0.5
199.07588	0.7
203.07036	0.5
211.07413	0.9
211.14668	0.4
213.03723	0.6
213.05473	4.9
221.09628	0.4
223.11201	0.6
224.08292	0.4
225.05453	0.7
225.09103	0.8
229.10062	0.6
232.08737	0.9
238.06351	0.4
239.07004	0.5
241.12155	0.9
244.08824	0.4
245.09663	0.6
249.09123	0.8
251.06859	0.4
253.08580	0.7
260.08459	0.5
261.09024	0.5
263.10629	0.5
267.06543	0.6
267.10120	1.3
269.11743	0.5
274.09796	0.5
278.09811	0.5
283.05862	0.8
287.10754	0.6
289.08533	0.5
290.09384	0.5
295.06006	5.5
302.09689	0.5
303.10263	1.7
305.07983	1.3
305.11435	0.5
306.08786	0.6
307.05960	2.2
307.09528	0.9
309.07587	1.1
311.05493	0.9
313.07480	0.4
314.09387	0.4
315.09988	1.2
316.10904	0.4
317.08078	1.1
318.08890	1.2
319.09451	2.1
321.07590	2.9
321.10950	0.7
324.11530	0.5
325.07129	0.9
327.09857	1.6
331.09613	11.3
332.10306	0.7
333.07632	0.9
333.11221	1.9
334.08353	0.7
335.09097	1.0
337.10632	1.1
339.08426	0.8
341.07983	0.5
341.11731	0.6
342.12524	0.7
343.09680	5.1
343.13345	0.7
345.07523	0.8
345.11243	2.1
347.09195	2.2
348.09778	1.3
349.10687	23.7
350.07748	0.5
355.09622	2.8
356.10275	0.6
357.11078	1.3
357.14963	1.1
359.09021	0.9
359.12811	1.5
361.10663	5.1
361.14520	0.5
363.12241	2.4
365.10211	2.3
366.10788	0.7
367.13391	2.6
369.11307	1.4
370.12085	2.2
371.12634	0.7
373.10519	2.4
374.11615	0.6
375.12024	1.3
375.16098	1.0
379.11594	0.7
381.13324	8.2
385.09506	0.6
385.14355	9.1
387.12436	1.7
388.13104	1.6
391.11591	2.1
402.14536	0.8
403.15390	100.0
404.15707	2.2
411.14218	1.2
415.15527	0.5
421.16428	12.3
427.15424	1.1
431.14825	0.7
431.83307	0.5
439.17480	1.4
439.34338	0.7
445.16425	5.9
511.16306	0.6
543.18573	0.5
553.17072	1.4
565.20642	9.0
583.21576	4.1
597.15924	4.8
607.21722	21.9
608.21570	0.6
615.17047	2.6
625.22858	3.1
633.19733	3.0
651.20648	58.8
652.21045	1.0
669.21729	25.4
687.22864	1.5
687.37860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50629	0.4
53.03873	1.5
55.01809	0.9
57.03364	1.9
61.02849	1.4
67.05418	1.2
68.15033	0.3
68.76106	0.3
68.99730	0.7
69.03345	8.8
69.03751	0.8
69.06994	1.0
69.55424	2.5
70.06525	0.4
71.01278	0.3
71.04901	1.5
73.02830	1.8
79.05419	0.9
81.03331	7.7
81.03844	0.6
81.06959	1.2
83.04939	0.4
85.02898	13.8
85.03360	0.7
86.03179	0.4
86.31435	0.3
87.00732	3.5
91.05382	1.1
93.06958	1.3
95.04927	0.7
95.08523	1.2
97.02881	4.3
97.06354	0.5
97.10128	0.4
98.20789	0.7
99.04447	2.6
101.02337	0.4
103.03911	0.9
103.05437	0.7
105.01853	2.0
105.06969	0.9
107.04874	0.6
107.08510	1.0
109.02874	6.8
109.10094	0.7
115.07492	0.4
117.01730	0.5
117.06960	0.5
119.08488	0.7
121.06453	0.6
121.10054	0.4
123.04390	1.9
123.11579	0.5
125.05959	0.4
127.03910	9.7
129.01735	0.9
129.06888	0.9
131.04800	1.0
131.08485	1.1
133.02730	0.5
133.10039	0.8
134.03600	0.5
135.07985	0.3
137.05907	0.9
145.04938	1.9
145.06293	0.3
145.10049	0.5
147.04358	0.8
147.11612	0.4
149.05833	0.6
150.03055	0.5
151.03839	1.0
151.07405	0.4
152.04619	0.5
157.06372	1.0
159.02808	2.4
159.04320	6.0
159.08022	0.5
161.05981	0.6
165.05434	2.4
169.06392	0.5
171.04277	0.7
171.07857	0.4
177.05420	0.5
185.05873	1.2
186.06660	0.5
187.06035	0.5
187.07510	5.0
189.03908	0.4
189.05501	2.0
199.07552	0.4
213.05461	23.0
214.05943	0.5
215.07124	0.5
231.04733	0.8
231.06645	0.9
245.09427	0.5
267.06421	0.4
275.06693	0.4
287.69916	0.4
289.08438	0.6
290.09308	0.4
291.10098	0.6
293.07907	0.6
295.06000	0.5
299.12677	0.4
301.08588	0.4
307.06018	0.4
307.09592	0.7
309.07581	0.5
310.04724	1.2
311.05435	1.3
313.06873	0.5
318.08807	1.2
319.09525	1.1
321.07611	0.8
322.04785	0.4
322.08267	0.6
323.05554	0.4
324.06433	0.4
325.07037	3.7
326.07480	0.5
329.07861	0.4
331.09534	0.5
333.11212	0.8
335.09109	0.5
336.06311	0.7
336.09808	1.6
337.06976	0.8
337.10626	1.2
339.08524	0.7
346.08356	11.5
347.09134	3.3
349.06995	1.1
349.10797	1.0
350.08002	0.4
351.08496	0.8
361.10684	14.7
363.08548	2.3
363.12430	0.5
364.09396	14.9
365.10272	5.0
367.11838	0.6
377.10187	0.6
378.11050	0.4
379.11737	100.0
380.12186	1.4
381.13251	0.9
383.10718	0.5
391.11374	0.8
393.13376	0.8
403.15515	1.1
411.14249	2.5
421.16486	67.5
422.16730	0.7
424.13919	0.5
437.15912	3.8
438.16287	4.8
439.17404	57.4
463.17609	1.0
541.17175	1.5
583.20978	2.3
601.22754	2.7
609.16266	0.5
625.22778	5.4
627.17084	7.1
651.20929	1.0
669.21674	17.4
687.22681	10.2
687.33832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01861	1.1
55.05510	8.5
57.03185	0.9
57.03434	11.0
57.07066	0.9
59.04989	3.1
61.02919	4.0
63.38741	0.5
65.03938	1.2
67.05500	80.8
69.03411	1.4
69.07063	6.2
69.31941	7.4
71.04968	2.8
71.08642	0.9
73.02908	1.3
79.05054	1.0
79.05486	14.0
81.07052	29.6
83.04968	0.8
83.08624	8.0
85.02902	4.8
85.06522	2.8
91.03941	1.8
91.05470	11.7
93.07032	19.2
95.04952	1.6
95.08600	23.7
97.02888	1.6
97.06528	1.3
97.10178	1.5
99.08044	0.9
105.07029	6.9
107.08590	11.2
109.06469	0.8
109.10149	74.1
110.10451	0.7
111.08093	4.0
117.07039	3.0
119.08578	9.1
121.10130	9.3
123.08047	0.6
123.11688	4.6
125.09612	1.2
130.91058	0.6
131.08536	4.3
133.10117	4.7
135.11700	8.1
137.09644	3.1
137.13274	1.0
145.10118	3.6
147.11684	3.4
149.13239	3.7
155.10649	4.2
159.11667	3.3
161.13210	3.5
163.14848	2.3
173.11746	20.3
173.13239	2.7
175.14803	0.6
177.16370	0.8
187.14769	2.0
189.11122	0.8
216.70930	0.6
217.85912	0.7
227.12711	5.3
229.14340	100.0
230.14618	1.0
233.22614	0.9
243.21011	3.9
261.22067	14.5
284.45175	0.6
307.59628	0.7
317.24658	2.9
335.25772	68.6
336.26135	1.3
365.56540	0.7
397.31122	2.0
415.31961	1.8
433.33511	0.7
471.34583	1.7
489.35745	41.6
490.35925	1.4
507.36444	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	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01877	0.8
55.05507	11.3
57.03436	11.8
57.07074	2.4
59.05001	3.2
61.02926	4.9
65.03944	2.6
67.05502	100.0
68.05820	0.9
69.03421	1.7
69.07063	9.1
69.49815	4.3
69.50231	1.1
71.04982	3.9
71.08653	0.9
73.02921	1.1
79.05489	19.4
81.03421	0.9
81.07053	39.7
81.76495	0.5
83.04993	1.4
83.08620	10.0
85.02902	5.5
85.06527	3.4
86.11531	0.6
91.03968	2.5
91.05476	15.9
93.07039	29.5
95.04980	2.5
95.08602	31.4
97.02872	3.0
97.06499	0.8
97.10177	2.1
99.08080	1.3
100.35798	0.7
105.07021	9.7
107.07869	1.0
107.08589	16.0
107.09289	1.2
109.06506	1.4
109.10151	77.4
110.10535	0.8
111.08070	3.0
117.07030	3.7
119.08591	10.9
121.10134	11.5
123.11679	3.9
125.09642	1.4
127.03851	0.7
127.17645	0.7
128.05988	0.7
131.08577	5.5
133.10135	5.8
135.08102	1.0
135.11685	7.4
137.09598	3.4
137.13277	0.8
145.10112	4.9
147.11717	3.6
149.13242	5.0
155.10628	3.8
159.11693	3.9
161.13268	2.5
163.14836	2.6
171.39685	0.7
173.11755	23.1
173.13255	3.2
175.14793	1.0
177.16460	0.9
187.14885	1.9
189.11272	1.5
201.16493	0.7
227.12785	4.0
229.14343	95.0
230.14772	2.4
243.21022	5.3
261.22128	20.0
314.28006	0.9
317.24707	4.4
320.93381	0.6
335.25778	85.2
336.26196	2.6
379.29889	1.1
397.31168	0.8
415.32141	0.9
471.34665	1.7
489.35736	68.2
490.36188	3.4
507.36661	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	686.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26926	0.3
51.59635	0.2
53.03942	1.2
55.01864	0.6
55.05259	0.4
55.05507	8.0
57.03431	1.2
57.07062	0.6
58.06596	5.5
59.04999	1.6
65.03944	0.4
67.05495	1.6
69.03426	3.4
69.07060	1.1
69.92384	1.0
69.92791	0.5
70.06589	1.7
71.01342	0.4
71.04986	1.0
72.08150	0.6
73.02912	1.6
79.05492	0.8
81.03414	3.1
81.07058	1.5
82.06571	0.4
83.04970	5.1
83.08613	0.3
84.08137	52.6
85.02898	7.8
85.06530	2.0
85.08495	0.4
86.06054	0.7
86.09731	0.3
87.04453	1.2
88.68662	0.2
91.05460	1.7
93.07030	1.1
95.04967	1.2
95.08612	1.3
97.02883	4.0
97.06522	0.6
97.10126	0.3
98.06049	0.2
98.09682	1.0
98.20719	0.3
99.04447	1.6
100.07634	0.6
100.11250	2.4
101.06009	15.3
103.03971	0.2
103.05457	0.4
105.03411	0.5
105.07025	1.5
107.04951	0.7
107.08602	1.0
108.08875	0.3
109.02879	2.7
109.06520	0.7
109.10154	1.0
110.03164	0.2
111.04436	1.4
111.05550	0.5
111.08103	0.3
112.07622	0.5
112.77983	0.2
114.09159	0.6
117.03391	0.3
117.07008	0.5
119.04950	0.8
119.08576	0.8
121.02885	0.7
121.06489	0.4
121.10136	0.7
122.10500	0.3
123.04448	1.0
123.08066	0.3
123.11723	0.5
124.07612	0.3
125.09699	0.3
127.03913	3.2
128.10706	21.2
129.05502	0.4
131.04895	0.4
131.08560	0.4
133.06445	0.5
133.10159	1.0
135.04428	0.5
135.08044	0.7
137.02330	0.6
137.05981	0.7
137.09636	0.4
140.07108	0.5
143.06984	0.5
144.10178	0.4
145.02896	0.4
145.04930	0.9
145.10158	0.6
146.11746	11.9
147.04440	1.7
147.11713	0.5
149.05937	0.4
151.03906	0.5
151.07591	0.7
154.08647	0.4
159.11694	0.4
161.02373	0.3
161.05945	0.3
163.03943	0.4
163.07486	0.3
165.09119	0.4
167.07054	1.4
173.05988	0.3
173.13390	0.3
175.03949	0.7
175.07564	0.3
175.14874	0.5
177.05504	0.6
179.03384	0.3
185.06020	0.3
187.07507	0.3
188.12808	0.9
189.05548	0.3
189.09200	0.3
191.07043	0.4
191.14366	0.3
193.08549	1.5
199.14946	0.3
207.06580	0.7
215.06987	0.3
227.07056	0.4
230.13902	1.1
243.14076	0.3
245.08186	0.8
254.13913	0.9
255.06584	0.3
257.08279	0.3
271.06207	0.3
272.14880	2.5
279.06650	0.3
287.10443	0.3
290.15970	8.6
292.15540	0.3
294.05411	0.3
295.06030	0.6
296.06573	0.4
297.07742	0.3
309.07663	1.3
311.05545	0.4
312.05826	0.5
321.07620	0.3
323.09073	0.6
324.06396	0.4
325.07059	7.7
326.07462	0.3
333.11295	0.3
335.09247	0.6
336.06448	0.4
337.07050	1.8
337.10709	0.5
338.07657	0.4
339.08667	0.7
343.08597	0.5
349.07129	0.8
349.10986	0.3
350.07800	0.8
351.08755	1.1
351.12531	0.4
353.10385	0.4
355.08145	0.4
361.10645	4.2
363.08661	1.0
364.09412	1.3
365.09973	0.4
366.10733	0.3
378.11215	0.8
379.11758	20.2
380.12335	0.5
381.13535	0.5
387.13620	0.3
393.13464	0.4
397.12802	24.2
398.13141	0.4
411.14636	0.3
421.13147	0.3
439.13907	0.3
523.16162	0.6
541.17450	0.4
633.50183	0.3
668.26453	0.6
686.27960	100.0
687.28503	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	686.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01867	1.3
55.05500	0.2
57.03422	0.6
61.02912	0.6
65.03947	0.3
67.05497	0.3
68.99793	0.4
69.03420	2.8
69.07069	0.2
70.06578	0.6
71.04979	0.5
72.08138	0.6
73.02904	0.4
74.09693	0.1
77.03970	0.2
78.04701	0.6
79.05483	1.5
81.03408	3.3
81.07046	0.6
83.04980	0.3
84.08132	0.4
85.02895	7.1
85.06517	0.2
86.09692	0.3
87.00819	2.7
87.04448	0.2
91.03944	0.3
91.05466	1.4
93.07029	0.6
95.04937	1.0
95.08583	0.3
97.02265	0.3
97.02881	3.4
97.06488	0.2
98.09640	0.2
99.04436	1.3
103.03931	0.2
103.05461	1.4
104.06248	0.1
105.01858	1.9
105.03405	0.2
105.07016	10.2
106.04151	0.5
106.07405	0.2
107.04934	1.5
108.04478	0.2
109.02863	3.7
109.06484	0.3
111.04445	0.4
115.03981	0.2
115.05438	2.4
117.01868	0.4
117.06999	0.5
118.04150	0.6
119.04929	0.7
119.08572	0.2
121.02840	1.5
121.06474	0.9
121.10124	0.3
123.04403	2.3
124.03945	0.2
124.05210	1.3
124.07564	0.2
126.05475	0.3
127.03902	5.5
128.04279	0.3
129.01799	0.4
131.04909	0.5
131.08569	0.2
132.05716	0.3
133.06477	10.9
133.10150	0.2
134.03511	0.2
135.04369	0.2
135.08051	0.2
136.07544	0.3
137.02365	0.2
137.05948	0.7
138.05447	0.4
140.07056	0.3
143.04880	0.4
143.06030	0.6
145.02870	0.2
145.04955	1.3
145.06454	0.8
147.02893	0.2
147.03267	0.2
147.04407	1.8
147.08087	0.3
147.11655	0.2
149.05936	1.1
151.03894	0.7
151.07487	0.3
152.04625	1.0
152.07104	0.2
153.01726	0.2
153.05453	0.2
155.07010	0.4
159.02866	1.3
159.07980	0.2
160.05183	0.2
161.05963	22.8
162.06442	0.2
163.07510	0.7
165.05455	0.2
166.06203	0.2
166.08583	0.2
167.07016	100.0
168.07382	1.3
171.02922	0.2
173.05940	1.1
174.06779	0.2
175.03894	0.4
175.07539	0.7
177.05461	0.6
178.06198	0.3
179.06985	0.6
181.08563	2.0
187.07430	0.3
189.03909	0.2
190.06226	0.4
191.07024	0.4
192.07800	0.4
193.08582	38.9
194.08919	0.6
195.10164	0.4
199.07568	0.2
203.06995	0.4
205.08604	1.6
207.06424	0.9
207.10078	1.1
208.06894	0.2
209.08002	0.6
211.09624	17.9
213.03784	0.3
213.09079	0.3
217.08571	0.4
218.11784	0.2
221.08011	0.3
223.09621	0.6
227.07008	0.2
231.04919	1.0
231.10123	0.2
233.07962	0.5
235.09669	1.3
239.09140	0.4
247.09598	0.2
249.11284	0.2
251.09035	0.9
253.10658	0.9
255.06487	0.3
259.09698	0.5
271.05865	0.2
277.10556	0.3
289.10596	0.2
290.15765	0.2
295.05991	0.2
295.11731	0.6
301.10681	1.0
307.05869	0.2
309.07376	0.2
317.06369	0.2
319.11664	2.3
325.06976	0.2
337.07086	0.2
337.12729	0.6
385.16428	0.2
405.11646	0.6
423.12900	0.8
428.10599	0.3
441.13608	0.5
566.13074	0.2
571.58295	0.2
685.51740	0.3
686.26178	0.5
686.51306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89907	0.2
53.03940	0.8
55.01869	1.3
55.05502	0.5
57.03434	1.1
59.04999	0.2
61.02931	0.3
62.41099	0.2
65.03934	1.3
66.04710	0.9
67.05497	1.0
69.03419	1.5
69.07059	0.3
69.48152	2.1
70.06583	0.9
71.04994	0.8
72.08158	0.9
73.02888	0.2
75.04476	1.3
77.03937	0.6
78.04697	0.5
79.05484	4.2
81.03402	1.7
81.07047	0.9
83.04974	0.4
84.04503	0.2
84.08132	2.5
85.02896	3.4
85.06537	0.3
86.06062	0.3
86.09691	0.6
89.03909	0.7
89.06024	1.1
90.04710	0.3
91.05468	6.6
91.06001	0.4
92.06246	0.4
93.03399	5.4
93.07032	2.7
94.04179	0.6
94.06600	0.2
95.04957	3.8
95.08598	0.7
97.02885	1.7
97.06530	1.2
98.09693	0.4
99.04435	0.3
101.06020	0.4
103.03946	0.2
103.05457	7.0
104.06252	0.3
105.03378	0.9
105.04449	0.3
105.07021	14.7
106.02980	0.4
106.04167	8.0
107.04945	4.5
107.05604	0.4
107.08584	0.8
108.05762	0.5
109.02866	2.2
109.06520	1.7
109.10154	0.4
111.04436	0.8
115.05434	1.3
117.03364	0.4
117.07031	0.4
118.04148	14.7
119.04963	2.3
119.08578	0.8
120.05731	1.2
120.08094	0.3
121.02855	1.2
121.06498	11.0
121.10140	0.3
122.07284	1.7
123.04415	1.1
123.08057	1.0
124.03899	0.4
124.05199	7.5
124.07610	0.4
125.05997	3.7
127.03896	3.0
128.04208	0.4
128.07062	0.3
128.10727	0.5
130.04146	0.3
130.83794	0.2
131.04919	2.4
132.05690	1.2
133.06479	22.8
134.03629	1.6
134.07289	1.7
135.04401	2.3
135.08046	4.0
136.05260	0.3
136.07576	1.0
137.05966	5.0
137.09586	0.3
138.05482	0.8
138.06775	0.4
138.09128	1.1
139.07558	0.9
140.07108	0.4
142.08650	0.2
145.02861	1.1
145.04964	0.7
145.06366	0.3
145.10109	0.4
146.03693	0.3
146.08266	0.2
146.11676	0.5
147.04398	3.6
147.11711	0.3
148.05209	1.5
149.05963	18.2
150.06750	8.9
151.02115	0.5
151.03943	0.7
151.07527	4.5
152.04596	0.3
152.07043	0.4
153.05461	1.1
153.09084	5.4
154.08578	0.3
160.05145	0.5
161.05968	6.4
161.09584	0.2
162.01271	1.2
162.06693	0.3
163.03902	1.9
163.07507	2.1
164.07057	1.7
165.09100	14.8
166.06175	0.4
166.08487	0.3
167.07027	7.0
173.06104	0.2
173.09474	0.2
175.03896	0.4
175.07515	0.8
176.04669	0.3
177.05447	12.4
177.09047	0.4
178.06152	0.8
179.01622	0.8
179.07008	1.0
179.10645	0.4
180.07805	0.3
181.03156	0.3
181.08583	10.4
182.79657	0.2
184.06001	0.4
187.07487	0.3
189.09077	0.3
190.00810	0.9
191.07008	4.9
191.08699	0.2
191.10666	0.3
192.07809	0.9
193.08585	100.0
194.08913	1.2
195.06528	1.4
206.08286	0.3
207.06529	0.8
207.08812	0.9
208.01877	0.7
209.08067	87.7
209.42952	0.2
210.08379	0.8
211.09671	0.4
213.05717	0.2
219.60036	0.2
222.11182	0.2
223.04211	16.5
236.12936	0.3
241.08517	0.4
247.13377	0.4
255.06360	0.5
268.08188	0.4
284.07898	0.5
295.06207	0.3
300.09061	0.3
312.08966	3.9
313.06934	0.4
330.10031	0.9
338.07501	0.3
341.13785	0.6
353.13773	0.7
357.17026	0.5
371.46274	0.2
373.16446	1.6
379.11664	0.6
385.16559	1.4
391.07932	0.2
397.12521	0.4
540.13403	0.3
686.27612	2.7
686.37714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.44731	0.2
55.01869	0.7
55.05494	0.7
57.03436	2.7
59.04991	0.2
61.02917	0.5
65.03950	0.4
67.01859	4.2
67.05489	0.7
68.99786	1.3
69.00553	0.2
69.03428	3.9
69.07043	0.8
70.06577	0.7
71.01343	0.7
71.04989	14.7
71.62341	0.3
72.08150	0.5
73.02914	1.1
75.04475	1.2
78.03446	3.0
79.04214	0.4
79.05479	0.6
80.05017	1.9
81.03418	5.0
81.07039	1.0
83.01321	0.3
83.04978	3.1
84.08131	0.6
85.02901	21.0
85.06509	0.3
86.03175	0.3
86.06054	0.3
86.09670	0.2
87.04463	1.1
91.05474	2.0
92.18265	0.2
93.07027	0.8
95.04986	1.1
95.08591	1.1
96.04499	4.0
97.02885	4.6
97.06525	0.5
98.09673	0.5
99.04456	1.8
101.06050	0.3
103.03976	0.3
105.07035	1.1
106.02911	24.4
106.07349	0.2
107.04962	1.4
107.08604	0.7
109.02877	4.1
109.06507	0.4
109.10127	0.5
111.04451	2.8
117.06992	0.3
118.04173	0.3
119.04944	3.4
119.08581	0.8
120.05274	0.2
121.02859	2.2
121.03642	0.3
121.06492	2.3
121.10130	0.5
122.03161	0.4
123.04427	1.0
123.08089	0.3
124.03944	100.0
125.02351	0.7
125.04301	0.7
125.06013	0.5
127.03909	5.1
128.04260	0.3
129.01820	1.0
129.05479	3.7
129.06908	0.3
131.08578	0.3
133.06485	0.3
133.10139	0.6
135.04411	0.5
135.11754	0.3
137.05949	0.9
137.09648	0.3
138.05486	0.7
138.09183	1.1
139.03911	0.4
140.07036	0.2
141.10388	0.3
143.17342	0.2
145.02852	0.3
145.04936	0.4
145.10112	0.4
147.04402	14.5
147.06374	0.5
147.11670	0.3
148.04785	0.4
149.05981	0.6
151.03905	0.7
151.07481	0.4
153.01817	26.8
154.02133	0.4
159.11642	0.3
161.06126	0.3
163.03868	0.3
163.07547	0.6
165.05475	0.5
166.05000	7.6
166.08609	2.9
167.03444	0.3
167.07030	2.4
171.02876	39.8
172.03223	0.3
175.03885	1.7
175.07513	0.3
176.04288	0.6
177.05478	0.8
179.03343	1.2
181.04994	0.3
184.09708	0.5
191.03395	0.3
193.04866	0.3
193.08617	1.6
195.02882	0.9
196.06027	0.8
205.08545	0.3
207.06494	3.3
208.06937	1.1
209.08119	0.7
209.10036	0.3
219.02936	0.3
219.06430	0.5
226.07094	3.0
229.04970	0.4
231.06480	0.3
231.10283	0.2
232.06038	6.9
234.07611	0.5
236.12718	0.4
237.07532	1.8
250.07091	9.0
252.08632	1.4
255.06432	0.4
255.08791	0.6
268.08142	64.9
269.08438	0.9
270.09830	1.2
273.07556	33.1
274.07846	0.5
275.13959	0.3
285.07623	0.3
295.05927	1.0
296.06369	0.6
297.07544	0.2
299.05679	0.2
301.07129	0.4
307.06064	0.4
308.06372	0.7
309.07562	0.5
310.09238	1.5
313.07031	0.3
315.08661	0.5
317.06662	1.1
318.06833	1.1
320.06424	0.3
322.08481	0.4
325.06985	0.8
326.07422	0.7
337.07034	0.8
338.07413	1.2
339.08673	0.2
349.06906	0.5
350.07663	0.4
352.10699	0.3
355.07971	0.3
360.10794	0.6
361.10556	0.3
364.09183	0.3
378.11761	1.9
379.07986	0.6
379.12338	0.3
380.08252	0.4
381.09537	0.3
391.07819	0.3
392.08340	0.4
396.12939	2.2
398.09543	0.3
402.07782	0.3
414.13922	41.1
415.14243	0.8
427.10059	0.7
428.10556	1.0
446.11053	0.7
482.11478	0.6
500.12772	0.5
503.62305	0.2
509.27908	0.3
522.13599	1.3
525.78448	0.3
530.13489	0.4
540.15033	7.0
548.13922	0.6
566.14209	0.8
596.14380	0.4
685.36951	0.4
686.19257	3.2
686.38647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.1
69.03400	1.1
69.07053	1.7
70.06586	0.8
70.78689	1.2
79.05482	1.0
81.03413	1.4
81.07047	1.9
83.08591	0.7
85.02905	3.0
86.09736	0.6
87.00845	0.6
91.05468	0.9
93.07044	1.9
95.04984	1.0
95.08619	2.0
97.02890	1.3
99.04488	0.6
105.07035	0.6
107.08615	0.9
109.02878	1.0
109.10189	0.9
111.08066	0.6
119.08582	0.8
121.06543	0.7
121.10152	1.0
123.04422	1.5
123.08046	0.8
127.03938	1.8
133.10152	0.9
139.07542	0.9
145.04942	0.8
147.04427	1.0
147.11807	0.6
159.11656	0.6
167.07097	0.7
189.09131	0.8
203.05290	1.5
259.08014	1.3
307.17700	0.6
311.05569	2.7
337.07019	0.6
347.09213	3.0
351.08627	0.9
353.10300	1.3
365.10345	8.1
379.11844	1.0
419.15222	0.6
419.35196	2.2
421.13235	1.2
432.24701	0.6
437.15939	14.1
437.36182	3.9
438.16467	1.7
509.47614	0.6
523.28784	23.3
523.36761	1.2
524.28827	1.4
527.15387	0.9
599.21106	0.9
635.65649	0.6
685.33960	100.0
686.34418	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	685.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01864	1.8
55.05505	1.4
57.03429	2.9
61.02919	2.4
67.05495	3.2
67.42165	0.7
68.99792	1.7
69.03423	16.7
69.07076	1.5
70.06575	1.2
70.17152	3.2
71.01357	0.8
71.04986	1.7
73.02905	3.1
79.05480	2.4
81.03412	13.9
81.07060	3.5
83.04988	1.2
83.08575	0.7
85.02901	16.0
85.30578	0.6
87.00835	4.4
91.05462	2.7
93.07047	2.4
95.04971	1.8
95.08610	1.9
97.02887	7.8
99.04450	4.5
103.03935	1.4
103.05391	0.7
105.01865	2.7
105.06996	2.2
107.04951	1.7
107.08579	2.3
109.02871	8.1
109.10162	2.3
111.08080	0.8
115.03936	0.9
115.05423	0.7
117.07040	0.7
119.08585	1.7
121.02847	1.7
121.06597	1.0
121.10187	0.8
121.41418	0.7
123.04395	4.3
127.03912	13.2
129.01822	1.2
133.10152	1.2
135.04378	1.1
135.11729	0.8
137.02318	4.7
139.03818	0.7
145.04938	2.6
147.04393	1.9
147.11729	1.1
149.02373	0.8
151.03870	2.4
151.07489	0.8
159.02905	1.6
159.04390	0.8
163.07530	0.8
165.06863	0.7
167.07043	1.1
169.06543	1.0
169.10110	0.8
171.11766	0.8
173.05806	0.7
175.07487	0.8
183.08099	0.7
187.06023	0.8
187.07565	0.9
187.14799	0.7
189.03883	0.8
193.10075	1.0
197.06139	0.7
199.07672	0.9
203.06964	1.3
213.05502	3.9
215.07130	0.7
223.11110	0.7
224.84590	0.7
245.09662	1.1
247.07516	0.9
253.09077	0.8
267.10056	1.6
267.23221	0.7
283.06265	0.9
291.10214	0.8
293.08124	1.1
295.05847	1.0
299.05566	1.9
303.10056	1.1
307.09607	1.0
311.05505	8.9
319.09497	3.3
321.07520	1.1
323.05524	2.4
323.09100	0.9
324.06064	1.1
325.07062	1.9
331.09601	1.5
333.07468	1.2
334.08286	1.7
335.09113	1.6
337.07077	2.1
339.08649	1.5
343.09351	1.0
347.09097	13.0
348.09659	1.2
349.10626	3.0
350.07574	1.1
351.08331	1.2
353.10257	1.7
357.11420	1.3
359.09076	3.7
361.06628	1.0
361.10703	2.3
363.08511	4.1
364.09430	1.7
365.10178	27.1
366.10336	1.7
367.11044	1.6
371.08951	3.8
373.10596	1.0
375.12308	1.9
376.09009	1.0
377.10068	5.2
379.11771	3.5
383.12442	1.6
385.10706	1.4
386.11731	1.3
389.10205	3.0
391.15524	1.2
401.13858	9.3
403.11539	2.0
404.12723	1.8
411.14853	0.9
418.13919	2.5
419.14859	100.0
420.15280	4.3
437.15927	80.2
438.16177	2.2
461.15942	2.6
487.21298	0.9
527.15411	6.8
529.16644	1.1
545.17096	1.1
581.19989	2.9
599.21069	6.0
613.15344	1.9
623.21112	15.5
649.27368	4.2
667.20026	54.3
668.20215	1.9
685.20612	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	685.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01836	1.1
55.02087	0.3
55.05474	0.5
57.03426	1.8
61.02925	1.5
62.57276	0.3
63.81001	0.3
64.49511	0.3
67.05463	0.5
68.99794	1.6
69.03423	11.1
69.07036	0.7
70.06558	0.3
71.01315	0.3
71.04985	1.4
71.68658	0.3
73.02909	1.7
77.44878	0.3
79.05467	0.5
81.03410	9.6
81.07036	0.7
83.08540	0.3
85.02897	14.0
87.00821	4.5
87.04415	0.5
89.12951	0.3
91.03921	0.6
91.05456	0.3
93.07016	0.5
95.08572	0.8
97.02299	0.4
97.02883	5.2
98.20706	0.6
99.04455	2.6
101.02338	0.5
103.03888	0.8
105.01868	1.9
107.04902	0.5
107.08549	0.5
109.02869	7.2
109.10145	0.5
115.03883	0.6
117.01801	0.6
117.03336	0.5
118.07092	0.3
119.08534	0.4
121.02735	0.3
121.10072	0.3
123.04440	0.5
127.03905	10.6
129.01772	0.7
129.06979	0.3
133.10110	0.7
135.04329	0.7
135.11652	0.3
137.02271	0.8
137.06039	0.3
139.03833	0.3
145.04926	2.4
147.02806	0.3
147.04391	0.6
153.05528	0.7
153.06964	0.3
157.06419	0.4
159.02885	2.7
159.04196	0.5
177.01773	0.7
181.06381	0.4
195.02893	2.9
201.05457	0.6
209.05917	0.3
211.07451	0.3
213.03819	0.4
220.59627	0.3
227.07025	0.6
229.04918	1.1
231.04936	1.0
233.09569	0.4
233.89651	0.3
255.06453	0.9
261.09061	1.1
263.06989	0.5
278.09515	0.3
279.10013	0.5
283.05899	0.8
285.11542	0.3
289.08398	0.6
291.09927	0.4
293.04419	0.8
293.08026	0.4
295.05966	0.8
299.05515	1.0
305.08090	0.3
307.06119	0.4
307.09598	1.3
309.07840	0.4
309.11221	1.8
310.04642	2.5
311.05469	74.6
312.05856	1.1
317.08109	0.6
321.04135	0.3
321.07550	1.0
323.05176	0.4
325.03497	0.6
325.06992	0.8
335.05460	0.8
335.09094	5.1
337.10684	4.8
339.08600	2.5
345.07516	3.1
346.08456	0.4
347.09085	0.7
348.09888	0.4
349.10788	0.4
351.08643	1.3
353.06360	2.7
353.10205	7.8
359.08960	0.4
362.07996	0.4
363.08582	28.2
364.09052	0.4
365.10135	1.2
367.11639	1.3
379.11707	1.1
381.09634	4.4
391.15430	0.5
401.13730	0.6
404.12390	1.2
405.09424	1.0
417.13187	0.5
418.13745	0.7
419.14767	7.5
437.15930	100.0
438.16245	2.7
455.09381	0.3
461.15488	0.3
479.17166	0.9
581.20044	0.9
599.12036	0.6
599.21185	8.2
611.12762	0.4
614.27747	0.3
623.20929	1.0
629.15057	2.0
641.22107	1.0
667.19720	5.2
668.19110	0.3
685.21143	14.4
686.21356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01869	1.0
55.05500	0.2
57.03433	0.8
59.04990	0.2
61.02925	0.7
66.79987	0.1
67.05476	0.3
68.99795	0.9
69.03423	5.5
69.07046	0.4
70.06590	0.1
71.01345	0.3
71.04993	0.7
71.62200	0.1
71.62585	0.1
72.08118	0.2
73.02918	0.9
76.38126	0.1
79.05486	0.3
81.03412	4.7
81.07052	0.5
83.01304	0.2
83.04974	0.2
85.02899	8.7
87.00286	0.2
87.00821	2.9
91.03936	0.3
91.05470	0.5
93.07034	0.4
95.04949	0.3
95.08590	0.4
97.02883	3.0
99.04453	1.8
101.02367	0.1
103.03936	0.4
103.05482	0.2
105.01857	1.7
105.07021	0.4
107.04959	0.4
107.08585	0.2
109.02874	3.7
109.06512	0.3
109.10133	0.2
115.03950	0.2
117.01837	0.4
117.06994	0.2
119.04937	0.2
119.08549	0.3
121.02837	0.1
121.06498	0.1
121.10146	0.3
123.04403	0.5
123.11692	0.2
125.05981	0.2
127.03905	6.5
129.01825	0.7
129.07057	0.1
131.08539	0.2
133.10100	0.2
135.04414	0.3
135.08061	0.2
137.02321	0.2
137.05984	0.4
143.08597	0.1
145.02876	0.3
145.04948	1.5
145.06067	0.2
145.10059	0.3
147.02885	0.4
147.04399	0.5
147.08032	0.4
147.11650	0.1
149.05899	0.1
151.03891	0.3
155.08568	0.2
157.10133	0.2
159.02904	1.8
159.04253	0.3
159.08121	0.1
161.02364	0.2
163.03886	0.1
163.07544	0.2
165.05434	0.3
165.06989	0.1
167.07008	0.3
175.04012	0.1
175.07590	0.3
177.01993	0.1
177.05434	0.5
185.05859	0.1
187.07529	0.2
189.01852	0.3
189.05496	0.2
189.09126	0.3
191.03372	0.2
195.11679	0.2
201.09102	0.2
203.07039	0.2
205.01288	0.2
207.02867	0.4
207.06554	0.2
211.07516	0.3
213.03748	0.1
213.05502	0.6
215.03368	0.3
217.01434	0.2
219.10118	0.3
225.08984	0.2
227.07108	0.3
229.08429	0.2
231.04807	0.6
233.04388	1.2
235.02278	0.2
237.05528	0.1
245.04427	0.2
245.07945	0.2
251.05342	0.8
253.08479	0.1
255.06479	0.2
265.08643	0.1
267.06595	0.2
269.08093	0.3
271.06027	0.1
271.81506	0.1
273.07492	0.7
277.04938	0.2
279.06757	0.2
279.09930	0.1
281.08276	0.1
283.05957	0.3
285.11240	0.2
287.09207	0.5
291.06229	0.1
293.04141	0.1
293.08075	0.2
294.04932	0.1
295.06009	0.5
295.09503	0.2
306.05197	0.4
307.05923	0.4
307.09543	0.2
309.07599	0.6
310.04651	0.1
311.05481	0.9
311.08859	0.3
317.07904	0.2
319.06107	0.2
319.09622	0.2
321.07544	0.4
321.11194	0.1
322.04764	0.2
323.05542	0.8
323.08859	0.2
324.06238	0.3
325.07169	0.5
326.07727	0.2
331.09610	0.2
333.07611	0.2
333.11212	0.4
334.04712	0.2
335.05530	0.3
335.09195	0.2
337.06998	0.7
337.10666	0.2
338.07733	0.3
339.04901	0.3
339.08707	0.5
343.09866	0.2
347.09210	0.6
348.06201	0.3
349.06964	0.7
349.10712	0.2
350.07532	0.2
351.04941	1.0
351.08661	0.4
351.12335	0.3
353.10309	0.2
354.07318	0.4
361.06769	0.2
361.10690	1.3
362.11340	0.2
363.08472	0.5
363.12537	0.2
364.09476	0.2
365.06198	0.2
365.10117	1.8
365.13770	0.2
366.07190	1.6
366.10870	0.2
366.14703	0.2
367.07980	1.7
367.12079	0.2
372.09848	0.3
377.13937	1.0
379.07449	0.6
379.12100	1.6
381.09583	0.6
389.10129	1.1
390.10992	0.5
393.13422	0.5
394.14413	0.2
397.12820	0.7
401.13684	0.2
403.11752	0.2
404.12613	0.7
405.13364	1.7
407.10849	1.7
407.15619	0.2
411.14383	0.3
419.14862	5.9
420.14862	0.2
422.13553	3.7
435.14484	0.3
437.15915	100.0
438.16260	3.0
453.19449	0.1
461.16162	0.3
479.17233	0.3
482.03992	0.1
482.21957	0.1
484.75095	0.1
489.04852	0.1
599.21112	0.4
613.15308	0.2
623.21637	0.2
629.16028	0.2
641.21710	0.4
667.20337	0.5
685.20673	1.5
685.30664	0.1
710.46783	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	685.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72087	0.4
53.03896	2.1
55.01822	1.3
57.03434	2.7
57.15945	0.4
59.04964	0.4
61.02872	1.9
61.59708	0.4
67.05473	1.0
68.99744	1.5
69.03425	14.8
69.03776	0.6
69.34116	4.0
71.01325	0.4
71.04938	1.5
71.05293	0.5
73.02915	3.0
73.05424	0.4
74.31478	0.4
75.76488	0.4
79.05450	0.4
81.03413	11.2
81.06996	0.7
85.02901	16.0
87.00826	5.3
87.04415	0.6
95.04880	0.6
97.02877	7.2
99.04446	4.1
101.02326	0.8
103.03869	1.7
105.01854	2.5
105.03341	0.5
105.06892	0.4
107.04935	0.5
107.08534	0.5
109.02876	7.9
117.01778	0.5
119.04901	0.5
121.02772	0.4
123.04353	1.4
127.03907	10.6
129.01768	1.7
129.06970	0.5
133.02769	0.4
135.04384	0.7
137.02333	4.0
143.08549	0.6
145.04939	1.9
147.04335	0.6
149.02248	0.9
151.03828	1.7
155.99556	0.4
157.06435	0.5
159.02824	2.2
159.04198	0.9
161.02301	0.8
169.06491	0.9
177.01808	0.7
185.05922	0.7
187.03871	0.5
187.05928	0.8
187.07466	0.9
189.05405	0.5
193.10046	0.5
195.11475	0.5
197.05965	0.5
199.07408	0.5
211.07423	1.0
212.08231	0.5
213.03781	0.6
213.05489	3.8
213.08984	0.4
217.10080	0.4
223.07573	0.5
225.05380	1.1
225.09111	0.8
226.09978	0.6
227.06923	0.5
229.10010	0.4
231.04848	0.8
239.06972	0.7
241.12244	0.6
245.09743	1.0
251.06911	1.0
253.08618	0.7
263.06915	0.4
267.10144	1.4
285.09003	0.7
289.08533	0.5
290.09375	0.6
291.10284	0.5
293.08047	0.4
295.05807	0.6
301.08627	0.5
303.09967	0.9
305.08035	0.8
306.08698	0.6
311.05457	4.1
319.09601	2.1
321.07446	1.3
323.05426	1.8
323.08981	0.9
324.06430	0.5
325.07172	0.8
329.08008	0.9
331.09659	1.4
333.07544	1.2
334.08395	1.3
335.09024	2.1
337.06982	2.6
337.10739	0.8
341.08038	0.4
343.09631	1.2
345.07660	0.5
346.08398	0.7
347.05215	0.4
347.09079	9.9
347.13083	0.6
349.06934	0.8
349.10709	1.7
350.07678	1.0
351.08557	0.9
353.10440	0.8
357.07190	0.7
357.11166	1.0
359.09113	3.4
359.12860	0.6
360.09882	0.5
361.06830	0.9
361.10718	2.2
363.04587	0.4
363.08389	2.0
364.09445	2.1
365.10190	19.9
371.09149	3.4
373.10461	0.8
373.14694	0.6
375.12177	1.6
377.10037	3.9
377.13818	0.4
379.11737	2.7
383.12878	2.3
385.10809	1.4
386.11395	1.7
387.12283	0.7
389.10132	2.5
391.11453	1.1
391.15607	1.2
401.08917	0.8
401.13815	10.7
403.11682	2.0
404.12646	1.3
417.13345	0.5
418.14294	1.9
419.14853	100.0
420.15137	2.5
437.15936	75.2
438.16168	2.2
443.15015	0.6
461.15939	3.6
479.16968	0.7
502.12820	0.5
527.16034	1.1
581.20172	3.5
599.21320	6.0
613.15631	1.5
623.21191	19.1
624.21686	0.6
641.21753	0.6
649.18640	1.6
649.27441	1.0
667.20129	60.3
668.20642	2.1
685.21088	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	685.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01865	0.7
57.03431	0.5
61.02925	0.6
65.03934	3.7
67.05482	0.5
68.05016	0.4
69.03429	1.5
69.07064	0.3
70.06580	1.2
71.01334	0.4
71.04996	0.2
72.08144	1.6
73.02905	0.6
79.01812	0.3
79.05476	0.5
81.03414	0.8
81.07065	0.6
83.04990	0.3
84.97863	0.2
85.02897	1.6
86.06054	0.3
86.09694	0.5
90.85858	0.2
91.05462	0.5
93.07005	0.4
95.04954	1.1
95.08595	0.3
97.02896	1.7
98.06055	0.4
99.04475	0.3
105.03378	1.8
105.07033	0.8
107.04952	0.6
107.08604	0.5
109.02888	1.0
109.06506	0.2
109.10135	0.4
110.02419	0.3
111.04435	4.0
112.07693	0.3
113.58260	0.2
114.05495	0.3
116.07076	0.5
119.04953	1.8
119.08588	0.4
120.04464	0.7
121.02862	100.0
121.10167	0.4
122.03204	0.5
123.04408	0.4
123.11672	0.3
127.03896	2.4
131.04930	0.3
133.06570	0.3
133.10120	0.3
135.04408	0.3
137.05978	0.5
139.03865	0.8
140.07025	0.3
145.02867	1.1
145.04939	0.3
145.06499	0.3
147.04407	3.1
148.04762	0.4
151.03859	0.5
151.07465	0.2
152.07050	0.4
153.01814	0.4
159.04529	0.3
160.06091	1.1
161.02525	0.4
161.06035	0.3
163.03888	0.9
167.06996	1.6
173.02319	0.3
173.13376	0.3
175.03897	0.5
175.07542	0.3
175.14806	0.3
177.05499	0.5
181.04974	0.8
187.03966	0.5
189.01865	0.7
191.03398	2.3
193.05005	0.3
195.02895	0.8
200.08940	0.2
203.03407	1.2
205.04987	0.7
207.02882	1.8
207.06384	0.3
209.04407	0.8
215.03386	0.5
216.83119	0.2
217.04965	0.6
219.02878	2.3
221.04500	0.6
227.03381	0.4
229.04849	0.3
231.02869	0.6
233.04500	0.4
235.05910	2.1
239.06990	0.5
245.04530	0.5
251.07005	0.5
253.07047	4.7
255.02824	0.3
259.06094	0.3
265.07080	0.5
267.06573	0.8
268.07346	1.0
273.03915	0.3
273.07303	0.3
274.07803	0.6
277.08633	0.2
279.06537	1.3
280.07364	0.5
281.08002	1.7
283.08240	6.3
284.06860	0.6
291.06442	0.7
292.07422	0.3
293.07990	1.1
294.01840	0.3
294.05182	6.3
295.06012	8.1
295.09421	0.5
296.06812	0.5
297.07449	1.4
298.08389	0.2
305.08047	0.4
307.06003	15.9
308.06787	4.6
309.07584	8.1
310.04675	0.2
310.08298	0.3
311.09119	0.2
313.07034	1.9
317.08035	0.3
319.05991	3.6
320.06757	0.8
321.07562	5.1
322.08206	0.8
323.05591	0.6
323.09100	0.7
325.07047	8.0
325.10925	0.4
333.07602	1.9
334.08362	0.4
335.05493	0.5
335.09109	1.4
336.06363	0.9
337.07034	29.2
338.07486	0.5
339.08521	1.3
345.07425	0.9
347.09174	1.5
349.07053	4.1
350.07916	0.3
351.08563	2.6
353.06268	0.3
355.08148	5.4
361.07053	3.8
363.08591	2.7
365.10159	0.3
367.08066	3.6
373.07043	1.4
375.08682	0.9
379.08084	9.5
387.08627	0.5
391.08093	11.7
393.09674	0.3
397.09378	1.2
399.10812	2.8
403.07959	2.0
405.09821	0.4
409.09143	7.7
415.08649	0.6
417.09583	0.5
421.09189	2.6
427.10223	38.0
428.10754	0.5
429.10202	0.4
433.09036	1.4
439.10352	2.3
445.11292	10.3
451.10107	1.9
457.11301	9.2
463.10254	0.6
468.49265	0.3
469.11267	2.7
475.10846	3.1
481.11163	2.0
493.11407	1.8
499.12177	1.2
511.12393	2.6
529.13434	4.8
547.13959	7.0
565.13446	10.7
577.13672	1.5
595.14459	5.1
649.14771	0.6
667.16595	2.1
685.17444	6.0
685.27753	0.4
685.36359	0.4
686.18451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
55.05508	0.3
55.17094	0.3
55.81656	0.3
59.06090	0.4
61.02925	0.8
65.03932	4.2
65.10015	0.3
68.99758	0.3
69.03415	1.3
69.81799	2.2
71.04986	0.4
72.26780	0.3
73.02930	0.5
79.05523	0.5
81.03409	0.5
81.07053	0.5
81.81358	0.4
83.05013	0.3
85.02899	0.9
91.05457	0.5
93.07041	0.3
95.04949	0.4
97.02894	1.0
98.20815	0.4
99.04479	0.5
101.07133	0.7
105.03407	0.5
105.07041	0.5
105.20887	0.3
107.08581	0.4
109.02855	1.3
109.06573	0.5
109.10098	0.3
111.04432	4.1
112.07622	0.4
113.33613	0.3
119.04935	2.0
119.08598	0.3
120.04506	0.5
121.02859	100.0
122.03173	0.5
127.03896	3.2
137.05991	0.6
139.03897	0.9
141.03198	0.3
145.02821	0.9
147.04401	2.0
163.03914	0.7
167.07065	1.0
175.03891	1.1
178.61176	0.4
179.03407	0.5
181.04979	0.6
182.07959	0.3
189.01833	1.2
191.03394	2.3
195.02873	0.5
200.22849	0.3
201.01761	0.4
201.05540	0.4
203.03439	0.9
205.04897	0.8
207.02945	2.4
207.06467	0.7
209.04442	0.9
215.03415	0.5
217.04958	0.6
219.02940	2.5
227.03487	0.5
229.05035	0.4
231.02875	0.4
232.84511	0.3
233.04602	0.4
255.02834	0.5
257.04630	0.4
265.07074	0.7
267.06516	0.6
268.07437	0.8
273.07632	0.4
279.06506	1.3
280.07312	1.0
281.08072	1.8
283.08194	9.5
284.06827	0.5
285.04092	0.5
291.06229	0.4
293.08063	0.9
294.05209	6.0
295.06015	9.9
296.06680	0.5
297.07547	1.4
297.22635	0.3
307.05997	15.0
308.06741	4.5
309.04056	0.6
309.07568	9.2
313.07074	1.1
319.05966	3.5
320.06866	0.8
321.07571	5.0
322.08347	0.9
323.05508	0.6
323.09146	0.9
325.07028	8.5
333.07526	1.9
335.05518	0.9
335.09171	1.7
336.06247	0.7
337.07028	35.2
338.07401	0.6
339.08606	1.2
345.07568	1.4
347.05374	0.4
347.09131	0.8
349.07053	5.0
351.08505	2.9
355.08075	6.8
361.07062	3.3
363.08698	2.9
365.10266	0.4
367.08203	4.3
373.07104	1.4
375.08688	1.2
379.08105	10.7
381.09769	0.5
385.08792	0.8
387.08807	0.6
391.08121	13.3
397.09286	1.6
399.10745	3.4
403.07748	1.7
405.09619	0.8
409.09134	8.0
415.09967	0.4
421.09027	1.6
427.10223	54.9
428.10800	0.8
433.08994	2.1
439.10257	1.2
445.11298	16.6
451.10217	3.3
457.11227	3.5
463.09891	0.4
469.11197	3.8
475.10281	3.4
481.11215	2.1
493.11261	2.5
499.12088	0.9
511.12338	3.1
529.13409	3.7
547.13818	7.8
565.13568	7.3
577.13245	0.9
595.14484	7.6
649.15021	0.6
667.16583	2.0
685.17383	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	685.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18757	0.7
53.03932	0.8
55.01855	3.4
55.05497	1.6
57.03426	2.2
61.02909	3.0
65.03940	4.6
67.05511	3.8
69.03427	7.3
69.07058	1.5
70.06594	4.8
71.04993	2.0
72.08153	5.5
73.02901	1.9
79.05484	3.2
81.02995	0.9
81.03414	6.2
81.07067	4.7
83.04974	2.3
83.08595	0.9
84.04539	1.0
84.08130	2.5
85.02908	8.2
85.06530	2.2
86.09702	2.9
88.51103	0.7
91.05466	4.5
92.64590	0.8
93.03376	1.5
93.07027	3.7
94.06584	0.8
95.04963	3.5
95.08616	6.3
97.02886	7.2
97.06532	2.1
97.10166	0.8
98.09677	0.8
98.21523	1.7
99.04429	2.2
103.03920	1.3
103.05478	1.3
105.03371	2.9
105.07037	4.3
107.04929	2.1
107.08560	3.4
109.02871	4.9
109.06529	2.0
109.10135	3.0
111.04440	2.9
112.07585	1.0
115.03923	0.9
115.05405	1.3
117.03417	0.9
117.07087	1.1
119.04932	8.7
119.08557	3.5
120.04443	1.5
120.08118	1.4
121.02862	87.8
121.06486	2.7
121.10128	2.2
123.04432	1.9
123.08060	1.3
124.03915	1.2
125.05953	1.2
125.09606	1.8
127.03909	13.2
128.04208	1.2
129.06987	1.1
131.04874	1.8
131.08554	1.6
133.06471	1.6
133.10106	2.4
135.04404	1.9
135.08031	1.9
135.11629	2.4
137.02348	1.1
137.05963	4.7
137.09616	1.4
139.03891	6.8
144.05582	0.8
145.02849	3.1
145.04926	1.5
145.10114	2.8
147.04390	20.7
147.11696	1.5
148.04753	2.6
149.05963	1.6
149.09598	1.0
151.03883	2.3
151.07547	1.5
153.05482	1.1
154.09869	0.9
157.10046	0.8
159.11633	1.6
161.05972	2.3
163.03879	2.7
167.07024	8.6
172.14844	0.8
173.02295	1.1
173.13190	1.6
175.03886	3.2
175.07544	1.2
175.11142	1.6
177.01877	1.2
177.05408	1.6
179.03418	1.1
181.04967	1.9
189.01820	3.5
189.05547	1.3
191.03387	8.6
191.10564	1.0
193.08575	1.3
194.02019	0.7
195.02834	2.1
203.03418	1.9
205.05026	1.3
207.02866	6.2
207.06567	3.8
208.06880	1.2
209.04434	3.0
211.07657	0.9
213.05359	0.9
215.03310	1.4
217.04863	2.1
218.11923	1.2
219.02937	6.4
221.04382	1.4
229.04971	1.5
231.02817	1.3
233.04558	1.9
245.04498	1.6
255.06470	1.7
263.07190	1.0
267.06482	2.1
268.07275	2.2
270.05493	0.9
271.05820	2.2
279.06592	2.7
280.07242	2.5
281.08060	8.6
283.06140	1.6
283.08267	12.3
284.06805	2.4
285.07434	1.2
291.06467	2.2
292.15271	1.2
293.07990	1.8
293.15875	1.2
294.05219	27.2
295.05981	33.6
295.09363	1.7
296.06659	2.7
297.07455	6.0
301.07074	2.4
305.08118	1.1
307.06000	50.9
308.06738	15.6
309.04025	1.6
309.07574	21.2
311.05457	3.6
313.07098	6.2
317.07916	1.3
319.06030	11.6
320.06769	4.0
321.07550	14.0
322.08203	3.1
323.05450	1.9
323.09073	2.5
325.07053	36.3
331.05917	1.1
333.07480	7.4
334.08023	1.6
335.05588	1.7
335.09061	4.3
336.06293	3.7
337.07037	100.0
338.07587	1.7
339.08536	3.6
345.07196	4.1
347.09076	3.7
348.06042	1.5
349.03052	1.2
349.07056	14.5
349.10873	1.1
351.04895	0.9
351.08676	9.4
353.06540	1.4
355.08109	23.8
357.07318	1.0
361.07056	7.8
361.10925	1.1
363.08557	9.8
364.09451	1.0
365.06128	1.2
365.10339	5.3
367.08072	13.0
367.12225	0.9
373.06943	3.4
375.08545	2.4
377.10349	1.4
379.08029	36.9
380.08466	1.5
381.09467	1.2
382.21082	1.1
383.21793	1.1
385.09039	1.2
387.08710	1.5
391.08075	35.4
393.09622	0.9
395.07214	1.0
397.09198	7.7
399.10498	3.4
403.07971	5.5
409.09134	25.6
415.10254	1.6
417.09674	1.6
421.09332	3.8
427.10236	82.0
428.10297	1.0
429.09546	0.9
433.08875	3.9
439.09995	3.5
445.11316	43.1
451.10156	5.7
457.11127	7.6
463.09937	2.2
469.11246	3.5
475.10355	7.5
481.11310	6.3
493.11310	4.4
499.12427	10.0
501.14087	0.9
505.21524	1.2
511.12277	6.9
523.15533	1.5
523.22974	2.4
529.13324	15.1
547.13483	22.5
565.13513	25.6
577.12555	2.0
595.14478	19.5
619.14307	1.2
649.14984	1.8
667.16425	10.1
684.39990	2.3
685.17285	18.3
685.37921	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	685.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.6
55.01860	3.7
55.05490	3.2
57.03411	2.3
61.02911	2.4
65.03924	4.1
67.05482	4.3
69.03423	9.3
69.07041	2.9
70.06573	2.3
70.75899	2.8
71.04979	3.1
72.08135	3.6
73.02896	2.3
79.05482	5.2
81.03402	4.7
81.07054	7.0
83.04964	3.4
83.08619	1.0
83.10046	0.9
84.08132	2.5
85.02900	8.9
85.06521	2.8
86.09711	1.2
91.05479	7.1
93.07028	6.4
95.04949	6.5
95.08595	7.6
97.02879	9.2
97.06538	2.7
98.09653	1.6
99.04420	3.5
103.05448	1.8
105.03388	5.6
105.07040	6.0
107.04951	3.8
107.08584	6.3
109.02853	7.4
109.06483	3.8
109.10136	5.6
111.04407	3.5
111.08044	1.2
112.07543	1.4
113.08748	0.9
115.05441	0.9
117.03277	1.2
117.06990	1.7
119.04937	8.9
119.08563	5.5
120.08139	1.3
121.02856	97.8
121.06460	3.1
121.10133	5.1
123.04414	5.0
123.08049	3.0
123.11711	1.9
125.06007	1.6
125.09603	1.2
127.03907	15.8
128.06207	1.0
129.07010	1.3
131.04883	2.7
131.08574	1.5
133.06493	2.0
133.10083	3.8
134.10483	1.2
135.04373	1.9
135.08026	2.2
135.11699	2.6
137.02321	3.0
137.05954	8.4
137.09584	1.2
138.05489	1.7
139.03894	7.4
140.07037	1.5
143.08578	1.6
145.02820	3.7
145.04913	1.2
145.06491	1.9
145.10115	3.8
147.04396	9.5
147.08022	1.4
147.11665	2.7
149.05980	2.8
149.09621	2.6
149.13145	1.5
151.03893	2.4
151.07516	2.4
152.07104	1.9
153.01820	1.7
153.05440	1.8
157.10085	2.4
159.08040	1.2
159.11650	2.2
161.05939	4.1
161.09630	2.2
163.03891	3.6
163.11221	1.3
164.06982	1.0
165.09172	1.6
167.07028	11.7
171.11671	1.2
173.02194	1.1
173.05927	1.3
173.09491	1.5
173.13188	2.2
175.03905	4.0
175.07515	0.9
175.11244	1.3
175.14836	1.4
177.05472	4.6
177.09122	1.2
179.03384	2.2
179.07072	1.1
181.04964	2.8
187.03830	1.1
187.11246	1.4
189.01807	2.8
189.05470	2.2
191.03317	6.7
191.07063	1.1
191.14301	1.8
193.08563	2.6
195.02872	2.3
201.05479	1.2
203.03360	3.3
203.06931	1.1
205.04970	2.5
205.08504	1.2
207.02846	8.6
207.06461	6.1
209.04385	3.1
213.05507	1.5
217.04929	2.4
219.02887	7.8
219.13763	1.0
221.04424	1.8
227.03534	1.3
229.04832	1.5
231.06677	1.1
233.04425	2.1
239.07088	1.4
241.05046	1.0
253.08487	1.1
255.06454	3.1
257.07947	2.2
267.06439	2.6
268.07263	2.8
269.04727	1.0
271.05917	3.0
273.03799	1.4
275.01675	0.9
279.06546	4.4
279.09689	1.2
280.07150	1.9
281.08032	8.6
283.05539	2.2
283.08331	11.8
284.06683	2.0
285.07364	1.9
287.05460	1.4
291.06433	2.3
292.07367	1.4
293.08032	2.7
293.15729	1.1
294.05212	28.3
295.05978	30.4
295.09351	1.9
296.06720	2.8
297.07590	6.2
305.07971	1.6
306.08969	1.4
307.05981	58.1
308.06769	12.5
309.04160	1.0
309.07480	22.7
309.11023	1.4
311.05560	1.4
313.07077	6.6
319.05966	14.9
319.09433	0.9
320.06689	3.6
321.07523	15.4
322.08234	2.2
323.05579	1.7
323.09082	3.5
325.07025	34.4
332.06796	1.1
333.07581	7.7
334.08331	2.0
335.05441	2.3
335.09067	4.5
336.06195	4.2
337.07034	100.0
338.07538	2.6
339.08426	5.2
341.06677	1.3
345.07672	3.3
347.05457	1.3
347.09116	3.5
349.07040	17.7
350.07446	1.3
351.08646	9.9
353.06638	1.8
355.08148	20.8
361.07080	11.3
361.11072	1.9
362.07452	1.3
363.08594	9.6
365.06329	1.8
365.10220	5.0
367.08038	13.5
367.11902	2.2
373.07135	2.2
375.08557	3.6
379.08075	38.8
379.11929	1.8
380.08438	1.3
381.09531	1.2
385.09448	1.6
391.08090	39.3
397.09268	8.1
399.10693	6.8
403.08191	3.5
407.07520	1.4
409.09137	31.0
415.08585	1.3
419.15335	1.4
421.08948	2.7
427.10208	99.8
433.09064	4.1
437.16125	1.4
439.10199	2.0
445.11288	43.0
445.17590	2.0
446.33566	1.1
451.09985	5.2
457.11057	5.0
463.09833	1.6
469.11124	4.4
475.10703	3.7
481.11414	5.4
493.11426	3.1
499.12027	3.8
509.10699	2.6
511.12286	6.7
523.22980	2.0
529.13367	13.0
547.13379	26.9
565.13452	35.3
595.14313	17.4
598.79584	1.2
602.00952	1.1
602.12421	1.2
649.15302	1.4
667.16296	14.4
667.26801	1.7
684.40015	2.1
685.17383	38.3
685.37341	10.6
686.17914	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	684.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01867	0.6
55.05512	0.3
56.05040	0.2
57.03431	1.8
59.05000	0.2
59.67184	0.2
61.02921	0.7
61.72705	0.2
64.16835	0.1
65.03947	0.2
67.05486	0.6
68.99785	0.5
69.03069	0.2
69.03426	3.2
69.07060	0.5
70.06570	0.5
70.76127	0.6
71.04977	0.6
72.08144	0.7
73.02904	0.8
78.04697	0.6
79.05471	0.9
81.03411	4.5
81.07047	0.8
83.04981	0.3
83.05523	0.1
85.02899	6.4
85.03419	0.3
85.06527	0.2
87.00824	0.7
87.34452	0.2
91.03934	0.3
91.05476	0.8
93.07031	0.9
95.04958	0.6
95.08600	0.8
97.02886	6.1
98.06059	0.2
99.04472	1.6
101.02377	4.9
103.03971	0.2
103.05447	0.7
105.07033	2.2
106.04135	0.4
106.07346	0.2
107.04946	1.6
107.08586	0.6
108.04481	0.9
109.02873	6.1
109.06532	0.2
109.10149	0.5
111.04454	0.4
112.07597	0.7
115.05453	0.6
117.07008	0.7
119.03408	20.6
119.08566	0.5
120.04502	0.2
121.02815	0.2
121.06505	0.7
121.10135	0.5
123.04410	2.2
123.11706	0.2
124.05228	0.9
125.05968	0.3
126.05508	0.8
127.03909	7.2
129.01845	0.3
129.06981	0.2
131.03404	1.5
131.04829	0.2
131.08546	0.3
133.06471	1.6
133.10112	0.2
135.04463	0.2
135.08049	0.4
135.11639	0.3
137.05992	0.6
137.09637	0.2
145.04947	1.7
145.06490	1.0
145.07460	0.2
145.10074	0.3
147.04382	0.9
149.05974	0.7
151.03937	0.5
151.07593	0.3
152.04681	0.8
153.05473	0.2
154.06184	0.2
159.07988	0.2
161.04559	0.4
161.05946	2.3
163.07512	0.7
165.09117	1.1
167.07027	100.0
168.07391	1.4
173.04456	3.0
173.05983	1.1
175.03906	0.3
175.07568	0.6
177.05405	0.5
178.06078	0.2
179.06958	0.8
181.08595	1.6
187.07524	0.2
190.06273	0.3
191.06985	0.3
193.08595	17.8
194.08907	0.3
195.10156	1.2
197.04436	0.3
199.07396	0.2
203.05493	0.8
203.07065	0.2
205.08615	1.6
205.12117	0.2
207.06509	0.7
207.10204	1.1
209.08076	0.5
211.09637	24.7
212.09917	0.4
213.05513	0.3
215.07021	0.2
216.97629	0.2
217.08527	0.4
221.08043	0.5
223.09657	0.8
227.05435	0.5
231.10172	0.2
233.08026	0.4
235.09648	1.8
239.09122	0.5
241.08496	0.3
243.06432	0.2
244.08246	0.3
245.06503	2.0
247.09737	0.4
249.11237	0.2
251.09131	1.0
253.10722	0.5
259.09619	0.6
269.08102	0.2
271.09601	0.4
273.11142	0.5
277.10764	0.5
289.10516	0.4
292.15286	0.5
293.60965	0.2
295.11856	0.4
299.05771	0.3
301.10651	2.2
311.05399	0.4
313.06842	0.2
319.11792	3.2
331.10007	0.2
337.06870	0.2
337.12762	0.8
347.09055	0.3
349.10855	0.2
353.10004	0.2
357.43796	0.2
361.11017	0.2
362.11096	0.2
365.10037	1.0
366.10577	0.2
379.11789	0.8
385.10864	1.0
386.11041	0.5
405.11563	0.4
411.14200	0.4
418.13495	0.2
419.14545	0.5
437.14484	0.8
455.15546	0.3
461.15994	0.2
504.20709	0.5
505.21899	0.4
522.21912	0.3
522.31543	0.2
527.15216	0.3
534.06427	0.2
591.67523	0.2
683.39178	0.2
684.27478	0.3
684.39429	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	683.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01865	0.5
55.05499	0.5
57.03434	0.7
58.17786	0.1
59.04991	0.3
61.02908	0.5
64.90745	0.1
67.05500	0.1
69.03426	5.3
69.60461	0.6
69.60886	0.5
70.06605	0.3
71.01376	0.2
71.04990	2.7
72.08131	0.4
73.02914	3.0
79.05489	0.2
81.03411	8.0
83.01314	0.1
83.04982	1.2
84.08161	0.2
85.02897	13.5
87.04462	0.7
89.06017	0.4
91.03938	0.3
91.05475	0.2
95.04960	0.4
97.02886	6.9
99.04446	13.6
101.02346	0.2
103.03931	7.3
105.38705	0.1
107.04953	0.2
109.02870	16.9
111.04423	0.4
115.03894	0.4
117.05456	0.7
121.02877	0.1
123.04411	0.4
125.02349	0.4
127.03905	100.0
128.04242	0.8
131.07016	0.5
135.04428	0.3
137.06000	0.2
138.05507	0.8
139.03893	0.2
141.67084	0.1
145.04947	10.3
147.04402	0.5
151.03891	0.4
151.07532	0.5
157.04962	0.6
161.05992	0.2
163.03886	0.3
163.06021	2.3
163.07396	0.3
167.07076	0.2
169.04939	1.4
173.08104	0.2
174.70621	0.1
175.03873	0.3
177.05544	0.2
181.04948	0.4
187.06010	4.5
189.05470	0.4
191.06960	0.2
193.04948	0.4
197.08058	2.1
199.06010	0.6
205.05104	0.3
205.07082	1.8
207.06538	0.4
209.08115	0.5
211.05983	0.6
215.09120	0.5
217.04938	0.3
218.32172	0.1
227.09193	0.2
229.07080	0.9
233.10242	0.2
235.05951	0.9
245.10246	0.3
247.08141	0.4
253.07054	3.4
271.08109	7.5
275.11163	0.4
289.09146	4.1
293.12369	0.2
295.08307	0.2
307.10107	0.6
313.09085	0.5
331.10199	0.4
341.12198	0.2
349.11346	0.4
355.10440	0.1
359.13361	0.5
361.09357	0.2
371.25046	0.1
377.14517	0.2
379.10263	0.8
397.11221	1.5
415.12323	4.1
433.13351	2.4
433.18701	0.2
451.14529	0.7
503.17325	0.1
521.18335	0.2
541.15302	0.4
577.17853	0.3
675.29767	0.2
683.25781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97919	0.3
53.03895	1.2
53.24361	0.3
55.01840	0.7
57.03403	0.7
59.14587	0.3
59.40223	0.3
61.02872	0.8
67.05449	0.4
68.99738	0.9
69.03428	6.1
69.03774	0.3
71.04957	0.7
71.35921	0.5
73.02862	0.7
81.03414	5.2
81.07014	0.3
83.08580	0.3
85.02901	8.9
87.00831	2.9
97.02883	2.9
99.04445	2.3
103.03876	0.8
105.01855	1.8
107.08582	0.3
109.02232	0.3
109.02867	4.3
127.03905	6.1
129.01820	0.7
134.03622	1.9
143.08540	0.3
145.04895	1.1
147.02780	0.3
148.05351	0.3
159.02866	1.5
189.05418	1.2
201.05498	0.3
213.05551	0.6
217.10135	0.4
230.05676	0.5
231.04849	0.8
245.09508	1.3
247.07454	0.6
261.08893	0.5
262.09872	0.5
273.09030	0.8
289.08624	0.5
290.09296	0.8
301.08597	1.6
305.08157	0.4
305.11560	0.7
307.09570	0.4
309.07370	0.5
310.04611	1.6
317.07947	0.3
318.08835	2.9
321.07532	0.5
322.04819	0.7
322.08133	0.6
325.07065	3.7
329.08029	1.8
331.09781	0.7
333.11163	3.8
336.09796	0.6
337.06879	0.7
337.10733	1.5
345.07425	0.9
346.08350	8.2
347.08771	0.4
361.10684	20.6
362.11169	0.7
363.08545	1.0
364.04773	0.5
364.09375	8.3
377.10007	0.7
379.11740	57.1
380.12146	1.2
421.12796	1.6
435.18024	100.0
436.18314	2.9
477.18994	0.3
651.85474	0.3
683.22485	0.5
683.32635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01867	0.3
55.05503	0.4
57.03432	4.8
59.04987	0.1
61.02920	0.6
67.05521	0.1
69.03423	2.4
70.06586	0.2
71.01348	0.3
71.04987	1.3
71.61214	0.2
72.08142	0.5
73.02905	1.3
75.04470	1.0
76.40466	0.1
78.09268	0.1
79.05492	0.1
81.03411	5.0
83.04987	0.7
84.08135	0.2
85.02897	6.9
86.06092	0.1
87.04462	0.3
89.10802	0.2
91.05444	0.2
93.05508	1.1
95.01299	0.5
95.04972	0.2
97.02888	2.6
99.04446	12.1
100.36180	0.1
101.02362	0.1
103.03928	4.8
105.07033	0.2
107.04935	0.1
109.02869	11.3
110.02378	0.1
110.03667	0.3
111.04412	0.2
113.02394	0.2
115.03919	0.3
117.05482	17.0
118.05848	0.1
119.04937	0.2
121.02824	0.2
123.04440	0.1
125.02312	0.1
127.03903	100.0
128.04233	1.0
131.03406	0.1
135.04352	0.2
137.05969	0.2
141.01811	1.3
141.05397	0.1
144.08060	0.2
145.04945	3.8
147.04434	0.5
149.05923	0.1
157.04971	0.4
157.08559	0.3
159.02847	0.2
159.06517	2.6
161.05995	0.2
163.03917	0.2
163.06035	0.2
165.05455	0.3
167.06992	0.1
168.10260	0.1
169.04924	0.3
171.06502	0.1
175.03888	0.2
175.09615	0.1
177.04030	0.1
177.05504	0.2
178.12247	0.1
181.04976	0.1
183.06508	1.9
183.08026	0.2
187.06007	1.5
193.08644	0.1
199.05968	0.2
201.07558	6.3
202.07904	0.1
205.05365	0.1
205.07025	0.6
207.06480	0.2
209.07977	0.1
211.06010	0.7
215.05505	0.2
218.11888	0.1
219.08621	5.3
225.07539	0.7
229.07053	1.4
234.11069	0.1
235.06078	0.1
243.08646	0.5
247.08145	0.8
247.76486	0.1
251.17592	0.2
253.07109	0.4
257.06592	0.1
261.09729	1.0
268.98334	0.1
271.08157	1.4
275.07526	0.1
278.85205	0.1
279.10791	0.3
281.18683	0.1
285.06061	0.2
289.09164	0.8
293.08670	0.8
309.09650	0.8
327.10721	2.7
345.11780	7.3
346.11990	0.2
359.09589	1.3
363.12814	4.6
364.13226	0.1
373.11606	0.2
377.10876	0.3
377.20596	0.3
450.17099	0.1
485.12933	0.3
503.14011	0.2
507.17148	0.3
521.14899	0.6
539.15497	0.2
548.94897	0.1
683.30914	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	683.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.00310	0.2
53.03931	0.5
55.01870	0.4
55.05502	0.5
57.03415	0.3
61.02907	0.4
61.91217	0.2
64.74340	0.2
65.03923	1.3
67.01840	0.4
67.05487	0.8
68.99773	0.3
69.03419	2.4
69.07042	0.6
70.06573	0.4
70.49141	0.4
70.49534	0.4
71.04987	0.5
72.08141	0.3
73.02917	0.3
77.03900	0.5
79.05474	0.7
79.49953	0.2
81.03405	3.7
81.07060	1.1
83.04958	0.4
85.02888	2.5
89.03898	0.6
91.05470	17.3
92.05829	0.3
92.99750	0.7
93.03401	0.3
93.07029	0.7
95.01302	0.3
95.04955	1.5
95.08591	0.8
97.02880	1.3
97.06500	0.4
98.09686	0.5
99.04426	0.7
99.21980	0.2
103.05439	0.8
105.03371	4.7
105.07038	0.9
107.04940	1.2
107.08578	0.8
109.02863	2.2
109.06498	0.4
109.10141	0.7
111.04460	0.3
117.03360	0.6
117.06982	0.3
118.04173	0.3
119.04929	26.5
119.08559	0.7
120.05266	0.6
121.02831	1.5
121.06490	0.5
121.10108	0.6
122.03656	0.4
123.04441	1.5
123.08046	0.3
123.11642	0.5
124.03925	0.2
125.05952	0.2
125.09528	0.2
127.03908	2.7
128.04204	0.3
129.03339	0.5
131.04913	1.0
131.08592	0.3
132.02051	1.0
133.02827	0.5
133.10120	0.5
134.03633	0.3
135.04439	1.2
135.08049	0.4
135.11716	0.3
136.05167	0.3
137.02278	0.7
137.05948	0.7
138.05449	0.2
143.08600	0.4
145.02835	1.3
145.04877	0.2
145.06477	0.5
145.10115	0.6
147.04393	25.3
147.11697	0.3
148.04761	0.6
149.02353	1.1
149.05991	0.4
149.09564	0.3
151.03870	0.4
153.01810	0.4
155.03290	0.2
157.03896	1.9
157.06544	0.2
157.10136	0.3
159.04372	0.4
159.08003	0.3
159.11668	0.4
161.02335	0.3
161.05975	0.3
163.03914	1.4
163.11153	0.4
164.04668	0.7
167.07024	0.7
167.08435	0.4
171.04353	0.2
173.05962	0.6
173.09537	0.2
173.13197	0.3
175.03886	44.9
176.04239	0.9
177.05524	0.9
177.06813	0.3
179.03372	2.4
179.07024	1.8
181.04955	0.5
181.06459	0.2
181.08524	0.3
187.07565	0.3
191.03378	0.4
192.04143	0.6
193.04965	0.3
195.02884	0.3
195.07994	0.5
198.06670	0.5
201.05473	0.3
207.06503	100.0
208.06900	1.5
213.09164	1.0
223.07431	0.6
225.07431	0.5
229.04938	2.5
241.08563	2.3
247.05965	0.6
251.06961	0.4
253.04791	0.3
255.06532	0.5
269.08093	1.5
271.05978	1.8
273.03943	1.0
273.07190	0.5
279.06409	2.1
283.06088	0.3
285.07507	0.9
287.05615	0.2
294.05270	0.3
295.05994	0.9
296.06540	0.3
297.07541	70.7
298.07922	2.4
307.05820	0.3
309.07303	0.3
311.05447	0.3
313.07260	0.4
315.08588	29.8
316.08881	0.7
321.07397	0.4
325.07010	0.3
327.08252	0.2
337.07047	1.4
339.08578	0.3
347.09189	0.5
349.06976	0.4
351.10730	5.0
357.09628	0.2
361.06903	0.4
361.10828	0.3
363.08710	0.4
365.10233	1.1
369.11737	4.3
379.08014	0.4
381.09366	0.3
423.10883	0.3
441.11722	1.1
457.89600	0.2
503.20309	0.4
521.21655	0.4
545.14215	0.3
563.13910	0.2
665.16803	0.2
683.19714	0.3
683.37787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01841	1.3
55.05497	0.9
56.03252	0.5
56.73567	0.6
57.03418	1.2
61.02901	1.4
67.05482	1.9
68.99770	0.7
69.03424	7.0
69.07048	1.7
70.89080	1.9
71.04958	1.8
73.02882	1.3
79.05476	1.4
81.03418	5.1
81.07067	3.5
82.66433	0.7
85.02905	8.6
86.38658	0.6
87.00801	1.3
91.05437	2.1
93.06991	2.4
95.04919	1.1
95.08576	1.9
97.02869	4.0
99.04433	2.2
103.03925	0.9
105.03322	0.7
105.06980	1.9
107.04922	1.8
107.08550	1.1
109.02873	3.7
109.06517	0.9
109.10125	1.7
119.04928	1.0
119.08535	0.8
119.31248	0.7
121.10152	1.5
123.04411	9.4
127.03883	5.7
133.10121	0.7
135.04427	1.3
135.11781	0.8
137.05954	1.9
141.07024	0.7
143.08521	1.0
145.02786	0.8
145.04953	1.0
147.04387	2.5
147.11668	0.8
149.05933	2.1
151.03900	2.6
161.05968	1.0
163.03838	1.5
163.07513	0.9
165.05432	1.3
171.08006	0.8
177.05443	1.1
181.05113	0.7
181.12201	1.2
183.07956	1.0
187.07547	1.2
189.09177	1.1
197.05983	0.8
199.07518	0.9
201.09212	0.8
205.08540	1.4
213.05417	2.0
213.09023	1.0
225.09116	1.5
227.06900	1.0
241.12379	0.9
251.07091	1.5
253.05087	0.7
253.08553	0.8
267.10190	1.2
269.08145	0.8
270.21820	0.8
271.05960	5.3
273.08853	0.8
283.05893	0.7
289.07175	0.9
295.05960	1.1
309.11084	0.7
310.04626	0.8
313.07242	1.1
319.09821	0.8
325.07074	2.8
337.07040	1.2
344.10333	0.9
345.11191	1.1
346.08304	1.5
347.09039	1.0
349.10791	0.9
351.08609	1.8
358.08231	0.9
359.09042	0.7
361.06693	1.1
361.10690	2.9
364.09314	2.6
367.11914	1.3
373.10837	1.7
375.08279	1.0
375.12387	2.9
377.09946	1.4
378.11087	1.2
379.11917	7.3
385.10870	2.7
391.11661	3.1
397.13971	1.5
400.13074	2.2
403.11557	3.5
405.17163	1.1
415.15347	5.8
415.31976	0.8
417.13177	1.7
418.14087	6.6
431.14844	1.0
433.16470	100.0
433.32718	5.7
434.16840	5.7
475.17569	2.5
541.17358	1.1
595.21674	5.9
637.22760	25.6
638.23328	1.4
663.20959	2.1
681.21643	30.6
682.22339	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	681.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.05480	0.9
57.03439	1.5
58.23948	0.8
61.02919	1.5
61.56369	0.7
67.05496	3.0
69.03429	5.4
69.07063	2.7
70.06609	0.9
70.07729	4.7
71.04997	0.9
72.08141	1.8
79.05481	3.1
81.03402	4.1
81.07059	2.1
83.04973	1.6
85.02884	6.0
87.00800	1.1
91.05475	3.0
93.07039	2.2
95.05006	1.1
95.08613	2.3
97.02872	3.7
103.05489	1.2
105.07024	1.8
106.47557	0.7
107.08598	1.2
109.02855	2.6
109.10132	1.1
121.10125	1.2
123.04412	2.0
123.08114	1.1
125.09637	0.8
127.03920	4.2
133.10123	1.0
135.04391	0.9
137.06023	1.5
145.10143	1.3
147.04428	2.3
149.05954	0.9
151.03885	2.5
157.10075	0.9
159.04379	0.8
161.09654	0.9
163.07581	1.5
165.05559	1.0
167.07007	2.2
171.11568	1.0
175.07617	1.4
191.10641	0.8
192.35977	0.8
209.09566	0.9
211.07535	1.1
211.14902	0.8
213.05498	1.0
224.08337	1.0
239.10626	1.4
255.13667	0.8
271.06027	2.9
283.09586	0.8
304.68710	0.8
311.05496	0.9
313.06958	1.3
319.09564	1.1
325.06937	1.2
330.88281	1.0
333.07602	1.7
346.08386	1.2
347.09103	2.4
347.13098	1.5
347.90060	0.8
350.07925	2.2
357.11282	1.8
359.09106	0.8
361.10751	1.1
362.07834	3.6
363.08362	1.4
364.09369	1.9
365.10181	5.0
367.12112	1.0
373.10513	1.1
375.12234	3.3
377.10355	4.0
379.11725	5.8
388.09439	1.3
389.13943	1.1
391.11563	0.9
397.13153	1.0
403.11639	6.3
415.15610	2.5
417.13336	1.5
418.14069	25.7
419.14560	1.4
431.15082	1.0
433.16455	100.0
434.16824	4.4
519.20251	2.7
595.22180	5.4
637.22705	36.2
638.23090	1.7
663.21259	2.7
681.21771	39.3
681.34344	2.7
682.22729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01841	1.3
55.05497	0.9
56.03252	0.5
56.73567	0.6
57.03418	1.2
61.02901	1.4
67.05482	1.9
68.99770	0.7
69.03424	7.0
69.07048	1.7
70.89080	1.9
71.04958	1.8
73.02882	1.3
79.05476	1.4
81.03418	5.1
81.07067	3.5
82.66433	0.7
85.02905	8.6
86.38658	0.6
87.00801	1.3
91.05437	2.1
93.06991	2.4
95.04919	1.1
95.08576	1.9
97.02869	4.0
99.04433	2.2
103.03925	0.9
105.03322	0.7
105.06980	1.9
107.04922	1.8
107.08550	1.1
109.02873	3.7
109.06517	0.9
109.10125	1.7
119.04928	1.0
119.08535	0.8
119.31248	0.7
121.10152	1.5
123.04411	9.4
127.03883	5.7
133.10121	0.7
135.04427	1.3
135.11781	0.8
137.05954	1.9
141.07024	0.7
143.08521	1.0
145.02786	0.8
145.04953	1.0
147.04387	2.5
147.11668	0.8
149.05933	2.1
151.03900	2.6
161.05968	1.0
163.03838	1.5
163.07513	0.9
165.05432	1.3
171.08006	0.8
177.05443	1.1
181.05113	0.7
181.12201	1.2
183.07956	1.0
187.07547	1.2
189.09177	1.1
197.05983	0.8
199.07518	0.9
201.09212	0.8
205.08540	1.4
213.05417	2.0
213.09023	1.0
225.09116	1.5
227.06900	1.0
241.12379	0.9
251.07091	1.5
253.05087	0.7
253.08553	0.8
267.10190	1.2
269.08145	0.8
270.21820	0.8
271.05960	5.3
273.08853	0.8
283.05893	0.7
289.07175	0.9
295.05960	1.1
309.11084	0.7
310.04626	0.8
313.07242	1.1
319.09821	0.8
325.07074	2.8
337.07040	1.2
344.10333	0.9
345.11191	1.1
346.08304	1.5
347.09039	1.0
349.10791	0.9
351.08609	1.8
358.08231	0.9
359.09042	0.7
361.06693	1.1
361.10690	2.9
364.09314	2.6
367.11914	1.3
373.10837	1.7
375.08279	1.0
375.12387	2.9
377.09946	1.4
378.11087	1.2
379.11917	7.3
385.10870	2.7
391.11661	3.1
397.13971	1.5
400.13074	2.2
403.11557	3.5
405.17163	1.1
415.15347	5.8
415.31976	0.8
417.13177	1.7
418.14087	6.6
431.14844	1.0
433.16470	100.0
433.32718	5.7
434.16840	5.7
475.17569	2.5
541.17358	1.1
595.21674	5.9
637.22760	25.6
638.23328	1.4
663.20959	2.1
681.21643	30.6
682.22339	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01860	0.7
55.05266	0.6
55.05505	8.7
57.03436	4.9
57.07057	1.2
61.02921	21.1
65.03925	2.3
67.05500	44.1
69.03426	3.1
69.07067	8.3
69.65566	4.2
71.04973	1.9
71.08627	1.1
72.08138	0.8
73.02915	7.1
75.04500	1.2
77.03937	0.8
77.67096	0.6
79.05487	28.9
81.03410	1.6
81.07051	50.8
83.04943	1.5
83.08615	5.7
85.02898	27.7
85.06519	2.4
86.03250	0.6
87.04472	0.7
91.03394	1.3
91.03951	23.8
91.05473	15.8
93.07037	41.3
93.31857	0.5
94.57742	0.6
95.04940	2.9
95.08601	57.6
96.08939	0.7
97.02884	12.4
97.06516	2.6
97.10152	2.6
99.04384	1.3
99.08082	2.4
101.02304	0.7
105.07021	15.8
107.08585	32.0
109.02854	1.2
109.06516	1.9
109.10149	35.0
111.08060	2.2
111.11756	0.8
113.09625	1.2
115.03902	1.5
117.07024	7.2
119.07788	1.0
119.08579	14.9
121.06563	0.7
121.10136	31.9
123.04412	0.9
123.08064	1.2
123.11693	12.1
125.09606	2.0
127.03897	8.8
127.11142	0.7
129.05486	0.7
129.06978	0.6
131.08559	14.4
133.10121	12.7
135.11685	28.4
137.09592	1.8
137.13268	3.9
139.11151	2.7
141.09070	0.6
145.04945	11.1
145.10115	15.1
147.04370	1.1
147.11685	13.5
149.13251	22.6
151.11186	3.0
151.14844	1.1
153.12747	1.1
157.12207	0.6
159.11676	16.5
161.13284	5.3
163.06010	19.2
163.11121	0.9
163.14807	8.4
165.12729	2.9
167.07024	0.6
169.08278	0.6
173.13252	12.3
175.14859	1.3
177.12730	1.8
178.11903	0.6
179.14392	0.6
187.14832	5.2
191.14241	1.5
201.16386	2.3
203.17857	0.7
205.15767	1.7
219.21011	4.4
229.19496	43.3
243.16006	0.8
247.20552	100.0
248.20978	1.8
249.22060	3.0
255.69704	0.5
265.21558	5.2
283.19022	0.8
303.23077	1.5
321.24216	35.7
330.29099	0.8
339.25272	63.7
340.25418	1.0
365.10184	0.9
379.11630	0.8
401.62115	0.7
447.27515	1.0
465.28506	0.8
483.29510	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	680.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01868	4.5
55.05504	9.0
57.03436	9.7
58.06589	2.1
59.04985	3.6
60.04519	1.9
61.02920	7.0
65.03931	1.5
67.05492	7.3
68.65162	0.8
68.72920	0.8
68.99762	1.1
69.03422	42.0
69.07059	13.8
69.68616	1.5
69.68950	6.9
70.06588	6.8
71.01323	2.2
71.04980	6.0
72.04503	1.4
72.08154	4.9
73.02911	21.9
75.04443	1.6
79.05488	6.2
81.02982	1.1
81.03414	15.9
81.07047	7.8
82.06551	1.1
83.01329	2.2
83.04967	14.0
83.08595	2.0
84.04488	1.3
84.08135	28.9
85.02898	53.2
85.04836	0.9
85.06528	3.8
86.06047	3.1
86.09668	1.9
87.00799	1.1
87.04460	15.9
89.06004	0.9
90.05559	0.9
91.03928	3.7
91.05478	9.1
93.07032	8.0
95.01323	5.0
95.04984	7.8
95.08595	18.3
96.08240	0.8
97.02882	40.1
97.03508	2.1
97.06532	4.3
97.10182	5.5
98.06036	3.2
98.09682	5.2
99.04449	13.4
100.07590	2.3
100.11257	1.1
101.02364	1.2
101.06013	11.0
102.06390	0.9
103.03935	7.6
103.05450	2.2
105.06370	1.7
105.07021	19.8
107.04937	2.5
107.08589	10.5
109.02869	20.4
109.06493	6.3
109.10141	10.7
109.47758	0.9
110.02387	0.9
110.03159	1.5
111.04435	4.6
111.08069	2.7
112.07562	1.3
113.02360	1.7
113.05990	1.6
114.09135	1.2
115.03919	28.2
115.05281	1.6
117.06973	1.6
119.04913	3.4
119.08569	32.2
120.09373	1.7
121.02859	2.6
121.06499	3.6
121.10130	17.9
123.04408	8.9
123.08085	4.6
123.11690	6.5
124.11183	1.5
125.02397	1.4
125.06005	2.9
125.09622	2.4
127.03903	94.1
128.04231	10.1
128.07042	1.7
128.10719	10.8
129.05431	1.2
129.06975	1.0
130.08627	1.1
131.04871	2.6
131.08513	3.6
133.04953	22.8
133.06464	11.1
133.10115	52.9
134.10852	1.5
135.04359	1.3
135.08028	5.4
135.11681	2.9
137.02382	1.1
137.05937	4.8
137.09596	2.6
137.34053	1.0
137.80450	0.8
138.05431	1.6
139.03867	3.6
139.07501	1.3
140.07039	1.6
141.01807	2.6
141.05441	1.7
143.03375	2.6
143.08569	0.9
144.06543	1.7
144.10211	1.0
145.04939	14.6
145.10126	4.6
146.09265	1.0
146.11769	9.6
147.03046	0.9
147.04376	6.6
147.07980	3.6
147.10617	1.6
147.11676	18.0
149.05945	2.1
149.09621	1.8
149.13319	1.0
150.07602	8.7
151.03879	2.7
151.07521	3.0
152.07202	1.1
153.01833	1.9
153.05435	4.7
153.09096	2.2
157.04988	4.6
157.10110	1.8
159.02893	1.0
159.06526	1.8
159.07874	1.1
161.05959	15.6
161.13225	8.9
162.07639	1.1
163.03827	2.1
163.06012	3.1
163.07478	2.2
163.11165	1.0
165.05426	1.7
166.07249	1.8
167.07011	20.7
168.07536	1.1
169.04912	3.3
171.10109	1.4
171.11705	1.1
173.09508	1.4
173.13213	3.5
175.07509	2.0
175.14807	70.7
176.15529	6.6
177.03935	4.4
177.05476	3.3
177.08987	1.2
179.07071	4.2
179.10571	1.1
181.04965	1.9
181.08603	1.6
183.06508	6.3
185.04449	2.3
185.08096	3.9
185.09586	1.4
185.13228	2.6
187.05959	3.6
187.07504	1.6
187.14833	2.2
189.09087	3.7
191.03412	1.2
191.14313	1.4
193.04970	1.4
193.08583	20.6
193.15865	11.8
194.08812	1.0
201.07448	0.9
202.10582	1.0
203.05432	4.7
203.07167	1.1
203.14281	2.5
205.05028	0.9
207.06490	2.5
207.10269	1.3
209.08093	1.2
209.11708	0.9
211.06018	5.3
211.07822	0.9
211.09641	4.0
213.04115	1.0
213.07590	2.8
213.12766	1.0
215.05466	10.2
215.14311	0.9
217.08653	2.2
219.10109	2.0
223.06027	1.5
225.11163	3.4
229.07057	18.1
231.08450	2.5
241.07036	3.8
243.08534	4.9
252.71049	1.1
253.07045	2.0
253.10681	2.0
255.06514	2.3
255.13875	2.5
257.10178	6.6
259.08130	3.4
269.10223	2.0
271.05884	2.8
271.08463	2.7
271.11725	29.1
272.12170	1.2
272.14880	1.7
277.09116	1.9
283.05896	2.5
285.07401	2.4
286.07935	1.6
288.14383	1.1
289.09277	1.3
290.15985	23.9
291.16129	1.2
295.06049	2.0
295.10199	2.6
305.17422	3.7
307.05978	2.5
309.07529	2.6
311.05756	1.1
313.07077	2.8
319.84128	1.0
323.18451	1.0
325.07004	2.2
333.16937	1.8
337.07095	5.9
342.14502	1.0
349.07199	1.2
351.17996	100.0
352.18280	2.9
368.16525	0.9
369.19009	8.5
375.09167	1.1
379.07816	1.9
381.18866	1.6
415.12454	2.1
421.09122	1.2
457.11356	1.6
465.20724	1.4
500.24478	1.0
519.24023	2.7
543.14899	1.3
548.27051	1.2
561.15759	3.2
662.31970	4.8
680.32104	32.3
681.29694	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	679.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.3
59.04983	1.1
59.27954	0.7
59.86729	0.7
62.55394	0.7
65.03928	0.9
67.05496	3.3
67.98381	0.7
68.99790	4.8
69.07053	1.7
69.54515	1.0
69.54920	6.3
79.05485	1.6
81.07049	8.8
83.31477	0.9
85.02872	1.2
91.05474	4.0
93.07027	3.0
95.04945	4.4
98.20770	1.6
103.05466	2.9
105.07021	3.1
107.04936	3.3
109.10125	1.0
111.04433	0.8
115.05403	1.3
117.06997	2.2
119.04942	1.5
121.02829	1.6
121.06509	8.4
121.10118	1.1
123.04417	100.0
124.04767	1.3
128.06210	2.0
129.06995	3.2
131.04819	0.9
131.08586	2.0
133.06485	1.1
135.04388	4.0
136.05203	6.0
137.05936	1.4
143.08548	7.8
144.05673	1.5
145.06465	2.8
147.04405	4.2
147.08040	1.9
148.05168	1.3
149.05969	64.8
150.06380	1.0
151.07526	1.2
153.05521	0.9
155.08557	3.2
157.06454	1.3
158.07225	1.5
159.08061	6.9
160.08864	1.5
161.05957	2.4
161.09659	1.5
163.03951	1.7
163.07541	11.2
169.06436	2.0
171.08038	12.8
172.08809	3.5
173.05939	2.2
173.09615	6.6
174.06740	3.6
175.07526	13.3
175.11179	2.5
177.05449	5.5
181.06503	1.1
182.07306	0.9
183.08086	2.7
184.08823	1.6
185.09618	6.5
186.06787	0.9
186.10239	1.2
187.07523	20.8
187.11127	3.3
188.08255	4.8
189.09090	9.1
190.09789	1.1
191.10585	1.3
197.09651	1.1
199.07564	2.1
200.08301	2.0
201.09087	18.9
202.09880	2.1
203.06999	2.7
203.10645	20.8
205.08545	3.9
207.10008	1.5
211.07529	1.4
213.09055	7.5
214.09799	1.4
215.10641	16.4
216.11313	1.3
217.12183	1.8
227.10654	2.3
228.11525	1.5
229.12140	1.1
231.13927	0.9
285.07938	1.2
285.11176	17.6
287.09207	1.7
307.13138	1.0
313.10709	5.1
313.13849	1.0
323.12619	7.2
325.10867	1.1
337.14304	14.7
338.15088	85.9
339.12296	2.1
339.15851	24.3
340.16193	1.3
341.13852	5.8
363.35458	0.9
367.19107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01862	0.7
55.05518	0.9
62.54260	0.6
67.05509	2.8
68.99796	4.0
69.03426	0.6
69.07059	4.2
69.60122	1.9
69.60549	2.7
72.08163	0.6
79.05499	1.6
79.94327	0.6
81.07052	5.3
83.08639	0.7
85.02895	1.3
91.05479	2.8
93.07040	3.1
95.04960	4.4
95.08605	1.2
97.72406	0.6
103.05453	2.5
105.07034	3.7
107.04931	3.0
107.08584	0.8
109.10158	1.2
115.05451	1.1
117.07021	1.4
119.04950	0.8
119.08607	0.6
121.06508	7.6
123.04421	100.0
124.04722	2.6
128.06195	1.0
129.06981	1.6
131.04907	1.3
131.08569	0.9
133.06467	1.7
133.10049	0.7
135.04408	2.2
136.05193	1.4
137.05956	1.9
141.79759	0.6
143.08559	2.3
145.06482	2.2
145.10126	1.1
147.04388	5.7
147.08052	1.9
149.05969	39.5
150.06331	1.4
151.07597	1.4
153.05426	0.7
155.08585	0.9
157.06458	1.1
157.10098	0.8
159.07997	1.2
161.05948	4.2
161.09573	0.7
163.03864	1.2
163.07535	20.6
165.05473	1.5
171.08058	1.8
173.06017	1.2
173.09605	0.8
174.06815	1.4
175.07533	5.5
175.11171	1.5
177.05463	24.8
177.09048	2.2
178.05888	0.6
183.08046	0.7
185.05962	1.2
185.09772	0.6
187.07475	2.0
188.08316	1.9
189.05461	2.6
189.09103	5.1
191.07036	2.1
191.10654	1.8
197.05908	0.7
199.07570	1.3
201.05426	0.7
201.09135	1.7
203.06995	7.8
203.10631	7.2
205.08624	2.0
211.07437	2.7
213.09132	0.9
215.07080	1.0
215.10651	0.7
217.08488	0.6
217.12140	3.1
219.10272	0.8
225.09181	0.8
227.10764	0.6
229.08560	1.1
229.12265	0.7
231.10036	0.7
231.13754	2.1
267.10272	1.1
271.09851	0.8
271.13217	1.1
283.06317	0.7
283.09637	2.0
285.11197	24.7
286.11823	0.8
287.09198	2.0
295.06180	1.8
299.12823	1.6
307.09656	0.6
313.10715	21.5
313.14267	1.7
321.07608	0.7
321.11203	1.8
323.09030	1.0
323.12790	0.8
325.10733	2.7
325.14285	2.4
327.12308	0.8
333.10861	1.0
337.10703	1.4
337.14365	1.0
338.11432	1.3
338.15204	1.4
339.12149	5.2
339.15933	18.6
340.16351	1.1
341.13690	1.2
351.12158	1.0
353.17517	1.1
367.18866	3.8
379.11719	0.8
381.16812	2.3
407.18530	2.9
427.05481	0.6
445.79214	0.6
473.15918	1.7
523.89368	0.6
609.20728	1.8
610.21680	2.3
611.21826	0.8
679.28912	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	679.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03948	0.5
55.01870	0.3
55.05258	0.1
55.05505	0.6
56.72138	0.1
57.03426	0.5
59.04989	0.1
61.02929	0.3
63.02384	0.5
64.68513	0.1
65.03930	0.3
67.05499	0.8
68.99791	0.5
69.03428	2.0
69.07055	0.7
70.06588	0.3
71.04985	0.7
72.08138	0.1
73.02930	0.2
78.04712	0.2
79.05481	0.6
80.39822	0.1
81.03411	3.9
81.07053	1.6
82.07368	0.2
83.04980	0.4
83.08610	0.3
83.22148	0.1
84.08118	0.3
85.02896	2.7
85.06532	0.9
86.09690	0.2
87.00834	0.2
87.99040	0.2
89.03906	5.9
91.05467	1.1
93.07039	1.1
95.04960	0.8
95.08605	1.5
96.02090	0.1
96.08943	0.2
97.02887	1.6
97.06514	0.3
99.04444	0.7
100.11241	0.4
103.03891	0.2
103.05457	0.4
105.03397	0.3
105.07010	0.7
106.04223	0.1
107.04948	0.3
107.08580	1.2
108.05260	0.1
109.02877	2.1
109.06499	0.5
109.10159	0.9
111.04424	0.4
115.05437	0.2
117.03366	17.0
117.06985	0.4
118.03736	0.2
119.04919	0.6
119.08556	0.7
121.02884	0.2
121.06495	0.6
121.10083	0.8
123.04414	3.4
123.08035	0.3
123.11692	0.4
124.05250	0.2
125.05966	0.2
125.09611	0.2
126.74031	0.1
127.03056	0.2
127.03909	2.2
128.04216	0.2
128.07039	0.2
129.01782	0.1
131.04921	0.2
131.08530	0.3
133.06459	0.2
133.10130	0.7
134.03615	1.2
135.04410	1.8
135.08063	0.2
135.11676	0.5
135.28540	0.1
137.05977	1.1
137.09546	0.3
137.13257	0.3
137.29358	0.1
138.05481	0.6
139.05836	0.1
139.07501	0.2
143.08502	0.2
145.02829	42.6
145.10069	0.6
146.03174	0.5
147.04405	1.3
147.08076	0.2
147.11732	0.3
149.05965	7.2
149.09564	0.3
149.13231	0.4
151.03847	0.2
151.07544	0.4
153.01813	0.5
153.05417	0.3
153.21661	0.1
158.05983	0.5
159.04486	0.2
159.08057	0.3
159.11671	0.3
161.05989	0.4
161.13290	0.2
163.03897	1.1
163.07530	1.6
163.11121	0.2
165.05521	0.2
165.09186	0.2
167.03442	0.2
167.07001	0.9
167.10464	0.1
171.02908	0.3
171.04378	0.2
171.06487	0.2
171.11621	0.2
173.05884	0.3
173.09558	0.2
173.13326	0.3
175.03966	0.2
175.07495	0.4
177.05449	100.0
178.05826	1.2
181.12267	0.2
182.15346	0.3
183.02946	0.2
184.66922	0.2
185.13274	0.2
186.05481	2.7
187.07492	0.4
189.05396	0.4
189.09079	0.3
191.03375	0.2
191.07114	0.2
191.10692	0.2
191.14163	0.2
193.08527	0.2
195.02917	0.2
195.06514	0.8
201.09055	0.2
203.10611	0.2
205.08595	1.8
207.06445	0.3
210.14868	0.3
213.05394	0.2
215.07100	0.1
217.04897	0.2
217.12225	0.1
219.10097	0.2
229.08742	0.3
229.24651	0.2
231.06581	0.3
231.13885	0.2
245.11511	0.2
255.06496	0.2
269.04459	0.2
271.05957	0.3
279.08600	0.3
283.06027	0.2
285.07602	0.3
287.05475	2.9
287.08603	0.2
295.06088	0.3
299.05582	0.2
310.04593	0.2
311.05441	0.4
312.06143	0.2
313.07028	0.1
321.09668	6.2
323.09030	0.2
324.06332	0.2
325.06940	0.6
326.06906	0.2
327.08600	0.8
337.06909	0.4
339.10910	3.3
340.08856	0.3
341.09448	0.3
341.13693	0.4
345.09717	0.8
351.15878	0.2
353.10080	0.2
355.11697	0.2
357.09326	0.2
393.13190	0.4
394.13855	0.3
395.13876	0.4
411.14255	0.6
412.14627	0.8
413.15091	1.4
445.32275	0.2
462.33096	0.2
463.33426	0.2
499.20529	0.1
515.31561	0.4
517.30573	0.2
643.19458	0.2
661.21228	0.6
679.23224	0.2
679.35474	1.6
679.51251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2223
Annotation	Hexandraside E
Peak:m/z	Relative Intensity
55.01848	0.2
55.05468	0.3
57.03395	0.2
61.02888	0.3
63.82604	0.1
66.03339	0.1
67.05453	0.3
67.44732	0.1
68.99783	0.1
69.03426	0.8
69.07037	0.2
70.06545	0.4
71.04946	0.2
71.63488	0.1
72.08105	0.1
73.02923	0.1
79.05448	0.2
81.03400	0.5
81.07044	0.5
82.06557	0.1
83.04964	0.2
83.08569	0.3
84.08105	0.2
85.02895	1.3
85.06480	0.2
86.09666	0.1
87.04440	0.1
89.03942	0.1
91.05420	0.4
93.06994	0.3
95.04912	0.3
95.08559	0.3
97.02903	0.7
97.06491	0.1
98.09647	0.1
99.04406	0.2
100.11247	1.2
105.07005	0.3
107.04911	0.2
107.08537	0.2
107.15692	0.1
109.02872	0.6
109.10117	0.2
109.11692	0.1
110.06011	0.1
111.04420	0.2
112.07565	0.3
117.03333	0.1
118.04148	0.1
119.04892	0.2
119.08536	0.2
121.02817	0.2
121.06452	0.1
121.10142	0.1
123.04378	0.3
123.08018	0.1
125.05930	0.1
127.03915	1.1
127.08582	0.1
128.07037	0.1
131.08473	0.1
133.10063	0.3
135.04337	0.4
135.07919	0.1
135.11682	0.1
137.02299	1.3
137.05928	0.2
137.09584	0.2
138.05463	0.2
140.07050	0.2
141.01817	0.9
145.04945	0.2
145.10065	0.2
147.04372	0.4
149.05908	0.1
149.09450	0.1
151.07524	0.1
153.01765	0.2
155.10680	0.1
159.11691	0.1
161.05865	0.1
163.03807	0.1
163.07545	0.1
165.01814	1.9
167.07010	0.6
169.06390	0.2
171.04265	0.1
173.13239	0.1
175.03865	0.2
175.14772	0.1
177.05428	0.3
182.15384	0.6
183.02881	1.7
187.07487	0.2
191.14217	0.2
195.02800	0.1
197.05923	0.2
203.03392	0.2
207.06500	0.2
209.16554	0.2
210.14845	0.6
215.06966	0.3
217.04874	0.1
225.05397	0.3
227.06950	0.1
237.05452	0.1
241.04959	0.1
243.06523	0.9
245.04355	0.2
253.04904	0.4
255.06546	0.2
257.04330	0.2
269.04477	0.1
270.04999	0.3
271.05936	1.5
281.04376	0.6
285.07614	0.5
286.07828	0.3
287.05417	0.7
295.05829	0.1
298.04764	0.6
299.05457	100.0
300.05826	0.9
309.07504	0.1
311.05484	1.1
313.06955	0.1
325.06921	0.2
341.06461	0.5
349.10608	0.1
355.11737	2.5
377.06317	0.1
433.15903	0.1
443.09799	0.1
451.17599	0.1
461.10730	31.1
462.11172	0.4
462.32956	0.1
473.10159	0.1
479.12985	0.2
480.33914	0.1
498.35077	0.2
517.17017	31.8
518.17175	0.5
529.16833	0.1
679.21295	0.6
679.51074	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	678.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01865	2.7
55.05497	5.7
57.03426	11.3
57.32413	1.6
58.06584	4.8
61.02932	2.1
67.05475	2.7
68.98604	1.7
69.03420	6.8
69.07059	2.2
70.06589	8.8
71.01343	2.0
71.04990	50.0
71.63104	3.2
72.08142	10.0
73.02895	5.2
75.04469	2.4
79.05466	2.5
81.03407	6.3
81.07036	2.8
82.06566	7.0
83.04975	3.5
84.04481	2.8
84.08147	17.6
85.02898	62.8
86.06075	13.0
87.04465	3.1
91.05463	5.4
93.07024	2.6
94.06540	2.8
95.04961	7.0
95.08576	2.9
97.02356	1.4
97.02876	9.4
97.06538	2.7
98.06039	2.2
98.09679	4.0
99.04446	6.2
100.07605	4.7
101.06017	7.3
103.03925	4.0
105.07005	5.5
107.04951	2.1
107.08611	2.0
109.02861	6.1
109.06505	2.0
109.10135	2.7
110.06030	2.1
111.04438	4.7
112.07628	7.7
119.04925	4.4
119.08562	5.0
121.02866	24.4
121.10068	3.4
123.04419	2.7
127.03905	32.9
128.07062	1.8
128.10695	5.9
129.05455	6.1
129.06979	1.5
129.10236	1.8
133.10149	3.0
135.04399	1.6
137.06007	3.0
140.07008	1.9
145.02870	2.6
145.04919	2.1
145.10130	1.5
146.11760	3.0
147.04382	6.0
147.11668	3.1
167.07008	4.1
173.06020	1.9
173.13101	2.0
175.07581	2.5
178.08630	5.4
187.04001	2.0
191.14316	3.5
195.02884	2.5
199.03810	1.6
201.05385	1.8
203.03378	5.7
205.04970	4.4
207.02980	2.8
215.03319	2.3
217.04979	2.6
219.03081	2.0
219.06287	1.8
221.04317	1.9
223.39275	1.5
241.05034	1.5
244.05925	1.9
245.04489	2.1
269.04211	2.4
281.07855	2.7
283.05859	8.7
285.07611	6.7
290.15933	7.0
294.05215	5.1
295.05960	42.7
296.06485	2.2
297.07678	6.2
305.07935	8.7
305.17453	2.1
306.08908	2.0
307.05991	19.8
307.09332	2.1
308.06747	5.5
309.07492	20.6
310.07852	1.8
311.09076	2.9
317.08096	6.0
319.05893	3.5
319.09491	2.8
320.06717	6.9
321.07532	24.4
323.09018	3.9
325.07013	16.5
326.07330	2.1
331.09610	2.1
333.07523	21.6
334.08170	4.6
335.09064	19.0
337.06897	13.1
339.08536	4.3
345.07535	5.5
346.10754	8.0
347.09134	13.9
349.06894	19.7
349.10123	1.4
351.08578	11.1
353.10162	2.6
354.10812	2.4
359.09106	7.0
361.07047	11.3
361.10950	3.0
362.10394	2.5
363.08533	37.1
364.12036	5.0
365.10269	8.1
367.07971	2.6
370.12604	2.0
375.08582	17.6
376.11942	8.7
377.10236	4.7
379.08157	10.8
382.12921	2.8
387.08386	9.6
389.10159	4.9
391.07935	1.7
393.09680	9.7
394.12854	47.5
401.10229	5.4
405.09613	6.8
406.12891	7.1
412.13742	18.1
417.09613	12.8
418.12903	11.6
421.09183	2.3
424.13849	16.1
429.09543	8.5
430.12704	4.5
436.14017	3.5
442.13416	2.8
447.10678	7.2
448.13843	14.6
452.21124	3.6
460.13797	10.3
478.14926	36.7
496.15982	83.9
497.16202	4.5
514.17017	64.4
514.24683	3.4
515.16559	2.2
516.15753	2.6
532.18018	34.6
538.17029	2.7
540.18323	1.8
558.19531	11.0
613.01190	1.7
636.07874	2.4
642.21576	12.8
646.05371	1.7
660.22821	41.7
660.33307	2.0
661.23663	4.4
678.23730	100.0
678.36011	21.6
679.24042	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	677.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01870	1.3
55.05261	1.2
55.05506	12.6
57.03428	6.9
57.07069	3.7
58.24590	1.0
61.02919	17.5
61.05142	1.0
65.03934	3.1
67.05499	71.7
69.03420	2.4
69.07067	14.3
69.43642	7.6
70.06614	0.9
71.04987	2.2
71.08607	1.0
73.02911	9.0
75.04465	2.3
79.05484	41.9
81.03430	1.6
81.07052	83.7
83.04969	1.5
83.08616	10.7
85.02417	1.7
85.02897	19.9
85.06541	3.6
91.03945	18.6
91.05473	22.2
93.07034	54.6
95.04963	3.8
95.08598	63.9
96.08926	1.2
97.02879	11.5
97.06530	2.5
97.10153	4.3
99.04444	1.3
99.08064	2.7
103.03984	1.1
105.07024	18.4
107.08585	33.3
109.06531	2.0
109.10149	35.4
111.08047	2.6
113.09647	2.1
115.05448	0.9
117.07007	9.9
119.08565	16.8
121.06535	0.9
121.10137	35.8
123.04424	5.9
123.08076	2.1
123.11693	18.1
125.09606	2.0
127.03918	7.6
129.06985	2.4
131.08560	21.0
133.10123	15.6
135.11684	25.9
137.09616	2.9
137.13242	8.4
139.11194	2.3
145.04953	7.0
145.10114	16.8
147.11658	11.6
149.13245	21.3
151.14844	2.0
153.12822	1.2
159.11691	16.4
161.13263	10.9
163.06039	11.0
163.07384	1.5
163.11165	1.9
163.14818	15.3
165.12711	2.6
173.13242	17.0
173.71916	1.0
175.14845	4.1
177.12740	2.9
177.16364	6.2
179.14311	2.9
187.14810	9.2
189.09138	1.3
189.16338	1.3
191.14281	2.7
201.16376	4.1
203.14204	1.1
205.15871	2.6
219.17447	1.4
233.22646	4.1
243.21077	35.3
261.22125	100.0
262.22543	2.6
263.23615	1.8
279.23111	5.4
284.00235	1.2
300.10059	1.1
317.24582	1.2
331.67978	1.0
335.25772	32.2
336.26440	1.5
339.16043	1.5
353.26822	38.1
354.27423	1.7
369.24500	1.4
405.26218	1.6
408.42642	1.1
479.29742	2.2
497.31085	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	677.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60872	0.2
53.10663	0.2
53.81153	0.2
55.05457	0.2
63.18925	0.2
69.57719	0.9
69.58142	0.5
72.03195	0.2
79.05428	0.2
81.07013	0.3
85.02845	0.2
89.05976	0.3
95.04879	0.2
95.08548	0.3
101.92022	0.2
105.07037	2.0
109.10051	0.2
119.01955	0.2
119.08524	0.2
121.06521	0.2
123.04353	0.3
131.08519	0.3
132.30414	0.2
132.84181	0.2
133.08568	0.3
142.18933	0.2
147.04381	0.2
149.05885	0.2
169.86444	0.2
185.04128	0.7
185.05679	0.2
197.16853	0.2
250.96469	0.2
259.07880	0.6
333.24789	0.4
338.15103	0.4
339.15649	0.2
347.09277	1.1
353.26584	0.2
357.83066	0.2
466.64136	0.2
515.31873	27.6
516.32263	1.4
677.37103	100.0
678.37354	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	677.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01880	0.7
55.05511	0.7
65.03941	0.7
66.33175	0.6
67.05502	3.8
68.99784	2.6
69.07064	1.0
71.62434	0.8
79.05476	2.8
81.07054	5.6
84.68831	0.5
89.54409	0.6
91.05453	5.0
93.07034	2.5
95.04951	4.6
95.08588	0.9
103.05465	1.4
105.03384	0.6
105.07020	9.5
107.04938	1.8
107.08578	1.3
115.05434	2.3
117.07021	2.7
119.04913	1.2
119.08553	2.0
121.06483	5.8
123.04412	84.9
124.04720	0.9
128.06232	1.4
129.06946	0.6
131.08582	0.9
133.06454	3.4
133.10110	1.0
135.04387	0.8
135.08005	0.8
143.08548	4.1
145.06474	5.9
145.10074	1.1
147.04390	2.6
147.08054	4.7
149.05959	25.9
151.07497	3.0
157.10072	0.6
159.11688	0.6
160.08905	0.9
161.06001	3.0
163.07518	51.9
164.07918	1.0
169.10202	0.9
169.11990	0.6
171.08051	2.5
172.08781	0.9
173.09499	1.2
174.06671	1.2
175.07526	11.5
175.11121	4.6
177.09175	0.6
187.07562	1.1
188.08293	4.5
189.09009	1.0
195.07988	0.8
202.09761	0.7
203.10635	13.9
205.18985	0.6
209.09367	0.7
213.09134	1.0
217.12256	7.9
229.12238	2.2
239.10605	0.9
267.10095	2.5
283.09586	1.5
285.11176	100.0
286.11511	2.7
297.11111	0.7
339.15869	55.8
340.16217	1.3
405.20459	4.3
433.16275	1.4
486.70184	0.6
555.20056	15.4
556.19897	1.0
677.27472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05497	0.5
59.04968	0.3
65.03932	0.5
65.87539	0.3
67.05495	1.9
68.99776	2.0
69.07046	1.1
71.64675	0.5
79.05486	2.5
81.03416	0.3
81.07055	2.9
91.05468	3.3
93.07026	1.3
95.04970	3.1
95.08572	0.5
97.53299	0.3
103.05461	1.6
105.03324	0.3
105.07021	6.2
105.35603	0.3
107.04951	1.0
107.08583	0.7
109.06476	0.3
115.05429	1.5
117.07006	2.8
119.04931	0.5
119.08569	1.1
121.06503	4.1
123.04416	75.1
124.04768	1.4
128.06215	1.0
131.04909	0.5
133.06485	2.6
133.10114	0.4
134.91504	0.3
135.04414	0.8
135.08012	0.7
137.05949	1.1
143.08542	4.1
145.06488	4.2
145.10109	1.2
147.04359	1.7
147.08034	3.4
147.11658	0.4
149.05968	25.5
149.09637	0.5
150.06320	0.4
151.07512	3.0
157.10106	0.6
158.07265	0.6
159.08054	0.7
160.08859	1.3
161.05968	2.6
161.07121	0.4
161.13203	0.3
163.07527	53.4
164.07843	1.3
169.10062	0.6
171.06702	0.4
171.08018	2.5
172.08836	0.6
173.05943	1.0
173.09619	1.2
173.13419	0.3
174.06691	0.6
174.73059	0.3
175.06007	0.6
175.07536	11.4
175.11136	5.2
179.08539	0.3
185.09671	0.3
187.07520	1.1
188.08304	4.1
189.09077	1.0
191.10622	0.4
197.09467	0.4
201.09087	0.5
201.12708	0.4
203.10652	17.2
204.11053	0.7
211.07542	0.4
213.08989	0.7
214.09747	0.6
215.10695	0.7
217.12213	9.6
218.12814	0.4
225.09012	0.9
226.09691	0.3
226.58305	0.3
227.10622	0.6
229.12126	1.5
237.09221	0.6
239.10611	1.0
240.34900	0.3
253.08640	0.4
255.10051	0.4
256.26569	0.3
257.08133	0.4
265.08591	0.6
267.10062	2.3
269.15283	1.0
271.09698	0.7
283.09680	1.4
283.17038	0.4
285.11188	100.0
286.11496	3.3
297.11285	0.8
311.12897	0.4
338.14847	0.8
339.15891	49.8
340.16205	2.0
405.20624	4.0
419.14786	0.8
433.16364	1.1
515.31818	0.5
517.16565	0.3
530.32074	0.3
555.20142	12.5
556.20428	1.0
665.33466	0.3
677.36957	1.2
677.54211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01864	1.6
55.05501	3.9
57.03425	1.7
57.07072	1.3
59.04979	0.6
61.02920	1.4
65.03931	1.1
67.05502	6.0
68.99782	1.0
69.03067	0.9
69.03425	14.5
69.07059	5.3
70.06584	1.7
71.04993	3.5
71.61766	0.5
71.62096	0.4
72.08155	1.9
73.02917	1.5
79.05481	7.0
81.02970	0.8
81.03412	11.5
81.06571	0.7
81.07050	14.1
83.04970	5.8
83.08611	1.6
84.04511	0.5
84.08138	1.8
85.02897	12.1
85.06529	4.8
86.06074	0.6
86.09695	0.7
87.00827	2.4
87.04471	1.8
89.03894	0.5
91.03965	0.4
91.05465	7.1
93.07033	9.4
95.04944	4.2
95.08599	7.2
97.02882	9.2
97.06507	2.5
98.09666	1.0
99.04444	4.0
99.08076	0.6
103.03938	1.5
103.05483	1.1
105.01856	2.8
105.02465	0.4
105.07011	9.6
105.07667	0.7
105.24979	0.4
107.04951	5.3
107.08585	24.3
109.02872	14.9
109.06492	5.5
109.09438	0.9
109.10146	10.5
110.06016	0.4
111.04417	2.6
111.08089	1.4
111.11709	0.5
113.06036	0.6
113.09623	0.4
115.03918	0.5
115.05449	1.3
117.07025	2.3
119.04916	2.0
119.08569	5.3
121.02864	0.8
121.06493	5.7
121.10128	12.0
122.07274	3.9
123.04447	2.9
123.08040	3.6
123.11716	2.0
125.02360	1.0
125.05964	1.2
125.09657	1.0
127.03904	22.3
129.01833	1.4
129.05461	1.1
129.09071	0.9
130.06561	0.5
131.04929	0.8
131.08582	4.3
133.10115	100.0
134.10490	0.8
135.04424	0.9
135.08032	10.6
135.11699	3.8
137.02310	0.6
137.06001	4.0
137.09601	56.5
138.05457	0.7
139.03903	1.2
139.07536	1.7
139.11154	0.9
140.06958	0.5
141.01794	1.7
143.07108	0.5
143.08536	1.2
145.02882	1.0
145.04956	3.6
145.06551	0.4
145.10107	2.9
147.02968	0.9
147.04402	4.7
147.08029	0.7
147.11662	4.5
149.05954	2.4
149.09601	2.5
149.13245	12.5
151.03886	1.0
151.07513	7.0
151.11209	1.3
152.07062	1.2
153.01819	1.1
153.05441	1.2
154.89761	0.4
155.07004	1.3
157.09988	0.7
158.10915	1.8
159.02835	0.9
159.08064	0.5
159.11646	1.2
161.05952	1.0
161.09612	1.0
161.13228	1.3
163.03918	1.0
163.06078	0.5
163.07518	0.8
163.11205	1.1
163.14786	3.3
164.07065	1.3
165.05495	0.5
165.06898	0.4
165.09129	1.5
165.12741	1.5
167.03465	0.6
167.07018	13.8
169.04895	0.5
171.02882	0.9
173.06013	0.6
173.13248	7.5
175.03850	1.4
175.07529	0.9
175.11070	0.8
175.14804	1.3
177.05428	2.6
177.09052	0.5
177.12669	0.4
178.08615	2.6
179.03403	0.6
179.07204	0.5
179.10547	0.5
181.04976	0.5
185.08136	0.7
187.07520	0.7
187.11215	0.7
189.05406	1.0
189.09091	0.8
189.12697	1.2
191.03413	0.6
191.10670	1.5
191.14287	74.9
193.04970	0.8
193.08548	0.9
195.02907	1.2
195.11790	0.5
199.11299	0.5
202.08636	0.5
203.10614	0.5
203.17947	0.6
205.12305	0.9
206.08009	0.6
207.06485	2.0
209.15341	11.1
213.03906	3.3
217.12198	0.5
223.13228	0.6
231.05008	1.8
233.11517	0.5
235.06012	0.5
247.10680	1.3
253.07089	0.6
255.06680	0.5
265.11728	0.9
269.04437	0.6
270.05243	1.0
271.08234	0.6
273.05920	0.5
283.05838	0.5
285.07617	4.9
289.09058	1.3
289.11807	1.0
295.05820	0.8
295.10989	0.6
301.07175	0.4
305.24814	0.4
307.06250	0.5
307.09528	0.5
307.12860	0.9
323.09268	0.8
325.07144	1.0
335.08893	0.5
337.07028	1.2
339.07068	2.3
349.07047	0.5
349.13876	0.8
351.08511	0.6
353.10123	3.8
357.08191	3.8
359.25723	0.6
373.14017	0.5
375.09119	4.8
397.11804	0.5
406.59637	0.4
425.30331	1.1
433.15698	2.7
443.31735	3.7
451.17194	3.5
461.32611	10.7
469.17850	2.2
479.33868	6.3
497.34897	3.4
515.14972	1.3
515.35797	1.0
530.21484	0.5
547.21448	0.4
559.88416	0.5
677.27972	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	677.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01844	1.0
55.05484	0.7
57.03404	1.0
57.07043	0.3
57.25940	0.2
58.51531	0.2
61.02892	0.8
65.03919	0.3
67.05469	1.0
67.31554	0.2
68.99773	0.8
69.03424	7.0
69.07034	1.1
71.01325	0.3
71.04984	1.3
71.62420	0.4
72.08126	0.3
73.02889	0.9
78.94378	0.2
79.05466	1.0
81.03410	6.4
81.06646	0.3
81.07053	2.9
83.04961	0.5
83.08609	0.5
85.02896	8.9
85.06501	0.7
87.00361	0.3
87.00823	3.3
87.04458	0.4
91.03914	0.6
91.05444	1.0
93.07011	1.6
95.04926	0.9
95.08603	1.8
97.02882	3.8
97.06523	0.4
99.04443	2.5
101.02321	0.4
103.03876	0.4
103.05408	0.3
105.01854	1.7
105.03365	0.4
105.07037	1.1
107.04943	0.4
107.08605	1.4
109.02872	5.4
109.06496	0.4
109.10128	1.6
111.04350	0.3
115.03889	0.3
117.01819	0.6
117.06979	0.4
119.04894	0.4
119.08540	1.1
121.02764	0.3
121.06544	0.3
121.10133	1.0
123.04440	1.4
123.08028	0.3
123.11658	0.6
125.05987	1.5
125.09644	0.2
127.02943	0.4
127.03905	8.5
129.01834	0.7
129.06918	0.3
131.04906	0.5
131.08534	0.6
131.53590	0.2
133.06476	0.4
133.10118	0.7
134.03587	0.6
135.04349	0.3
135.08025	0.4
135.11653	0.9
137.05934	0.9
137.13211	0.4
139.03896	0.3
139.11174	0.3
143.08560	0.4
145.02808	0.8
145.04979	2.1
145.06079	0.4
145.10114	0.3
147.02924	0.3
147.04369	1.6
147.08109	0.3
147.11691	0.4
149.05914	0.8
149.09602	0.4
149.13245	0.6
151.03868	0.7
151.07516	1.0
153.01817	0.3
153.05389	0.5
157.10039	0.3
159.02864	1.8
159.11655	0.5
161.09633	0.3
161.13176	0.4
163.07494	0.8
165.05472	0.7
165.06992	0.3
167.07089	1.2
167.08354	0.3
171.06525	0.4
173.05911	0.3
175.03804	0.5
175.07542	0.5
175.14810	0.3
177.05473	1.6
177.08986	0.3
181.06400	0.3
187.07513	0.3
189.05415	0.3
189.09038	0.3
189.12714	0.3
191.10625	0.4
193.08540	0.3
201.05376	0.3
203.06946	0.6
203.10582	0.4
207.06488	0.7
213.03685	0.3
213.05426	1.0
215.10735	0.3
217.08562	0.4
220.03587	0.3
223.07454	0.3
227.06972	1.1
229.04988	0.5
231.04912	0.8
244.07220	0.3
247.05946	0.7
255.06487	0.3
267.06482	0.4
270.05276	0.3
271.05927	0.5
279.06442	0.5
285.07529	0.9
285.11160	0.4
293.08023	0.5
297.07556	0.4
298.04694	0.3
303.09961	0.4
304.10837	0.3
305.08624	0.3
307.06265	0.3
307.09616	1.0
308.06879	0.5
309.07590	0.2
309.11142	0.3
310.04910	0.3
313.07043	0.4
317.08176	0.3
321.07565	1.4
321.11307	0.5
323.05658	0.3
323.09171	0.6
324.06256	7.4
325.07220	1.6
326.07535	0.7
327.08109	1.0
331.09406	0.3
333.11240	0.4
335.05472	0.4
335.09079	2.4
336.06198	1.3
336.09778	0.6
337.07080	0.5
338.07629	0.3
339.08609	12.3
343.09705	0.4
345.07211	0.4
346.08435	0.4
347.08844	0.3
349.07022	0.6
349.10770	0.6
350.07825	0.9
350.11557	0.3
351.08597	2.3
351.12283	0.5
353.10104	0.5
357.09668	2.6
359.09238	0.7
360.09805	3.2
361.10574	0.8
363.08578	4.5
364.09323	0.9
365.10043	1.7
365.14005	0.4
369.09525	1.2
369.13626	0.3
375.12286	5.5
377.10211	0.9
378.10977	9.9
379.11981	1.1
383.11200	0.5
393.13293	35.6
394.13666	0.7
396.12131	0.7
397.12741	0.7
405.26318	0.3
411.14343	100.0
412.14621	1.4
429.15482	1.4
431.31644	0.6
443.31512	0.5
453.15558	0.4
461.32443	0.7
479.33484	0.6
573.19568	0.7
605.14984	0.3
659.19427	6.1
677.21582	0.6
677.33215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
54.87421	0.3
55.01868	1.9
55.05507	2.9
57.03435	3.3
57.07042	1.0
59.04971	0.5
61.02919	2.0
65.03895	0.4
67.05506	4.9
68.99752	1.4
69.03427	11.7
69.07066	5.1
70.06577	0.6
71.01328	0.3
71.05000	1.7
73.02922	1.6
79.05495	3.1
81.03414	7.6
81.07056	14.2
83.01328	0.7
83.04948	1.4
83.08631	2.1
84.08086	0.4
84.24795	0.3
85.02905	15.5
85.06540	2.5
86.03193	0.3
86.09676	0.4
87.00829	3.6
87.04466	0.8
91.03917	0.6
91.05476	2.3
93.07042	5.6
95.04935	1.3
95.08604	10.1
96.08128	0.3
97.02887	6.0
97.06531	1.5
97.10120	1.3
99.04450	3.3
99.08038	0.9
101.02342	0.4
103.03918	0.9
105.01852	1.9
105.07034	3.3
107.04942	0.7
107.08587	5.7
109.02872	7.3
109.06494	1.4
109.09446	0.5
109.10149	7.1
111.04461	1.9
111.05063	0.3
111.08056	0.9
113.05974	0.7
115.03969	0.4
115.28304	0.3
115.80476	0.3
117.01810	0.6
117.03378	0.4
117.56826	0.4
119.04925	1.3
119.08581	2.3
121.02820	0.6
121.06458	1.3
121.10143	4.1
123.04398	1.3
123.08086	1.6
123.11704	3.8
125.06007	1.6
125.09612	0.8
125.13219	0.4
127.03910	12.0
127.11201	0.6
128.07045	0.4
129.01848	0.8
129.05475	0.5
129.06937	0.3
130.07861	0.3
131.04875	0.5
131.08519	1.1
133.10156	1.8
134.03600	0.6
135.04375	1.1
135.08031	0.8
135.11691	4.1
135.60852	0.3
137.05977	2.7
137.09550	0.6
137.13245	2.0
138.09084	0.7
139.03876	1.3
139.07536	2.7
141.05415	1.1
143.08530	0.6
145.04961	2.7
145.06084	0.4
145.06317	0.3
145.10071	1.6
147.04420	3.9
147.08037	0.6
147.11716	2.4
149.05952	0.9
149.09555	0.8
149.13248	3.6
151.03918	0.8
151.07545	2.3
151.11136	0.6
151.14796	0.4
153.01920	0.3
153.04318	0.3
153.05461	4.1
153.09074	0.8
153.12740	1.2
155.06998	0.8
157.10080	0.6
159.02859	1.7
159.08025	0.4
159.11641	1.1
161.06004	0.5
161.09555	0.4
161.13234	1.4
163.07491	0.5
163.11157	0.6
163.14749	1.0
165.05463	6.4
165.09131	1.5
165.12749	0.4
165.55933	0.3
167.07053	6.2
167.08426	0.7
171.06505	6.0
171.07887	0.3
171.11635	0.4
173.09605	0.6
173.13225	0.6
175.03972	0.7
175.11154	0.7
175.14861	0.6
177.05449	0.4
177.09061	0.6
177.12682	0.5
177.16307	0.3
179.06992	0.6
179.10571	0.6
181.12192	0.9
183.06503	1.0
183.08018	0.3
185.13197	0.4
187.07568	0.5
187.11133	0.5
189.09027	0.6
189.12778	0.6
189.16415	0.5
191.03250	0.8
191.10612	1.4
191.14415	0.4
193.12314	0.4
195.07970	0.5
195.10135	0.4
195.13818	0.5
199.14790	0.3
203.06920	0.5
203.10646	0.4
203.17891	0.6
205.06711	0.4
205.12207	0.8
205.19516	0.5
207.06491	0.6
207.10176	0.9
209.04395	0.5
209.11736	2.0
213.05447	0.9
213.08975	0.3
215.07042	0.3
217.12267	0.7
219.10236	0.4
221.11693	0.7
226.06203	0.4
227.06932	0.6
229.04921	0.5
231.04884	0.7
233.11674	0.4
239.12592	0.6
245.08076	0.5
247.05904	0.6
251.07108	0.5
261.09109	0.4
267.06470	0.7
271.05957	0.7
273.25455	0.5
275.20044	0.4
279.06592	0.8
283.05988	0.5
285.07568	0.6
287.10583	0.4
289.18039	0.5
291.26651	0.4
293.08005	0.6
295.05981	1.0
296.06781	1.5
297.07529	0.5
298.04688	0.5
303.10010	0.4
304.10876	0.4
305.17453	0.7
307.06009	0.5
307.09540	0.8
308.06808	0.7
309.07532	0.8
311.09198	0.9
312.05914	0.4
313.06970	1.5
317.08054	0.5
319.06110	0.4
319.09619	0.4
319.19113	0.9
321.07553	1.6
321.10947	0.4
322.11844	0.3
323.05435	1.4
323.09222	1.5
324.06274	21.4
325.06885	2.0
326.07513	1.3
327.08405	1.8
333.11218	0.5
333.20627	0.4
335.05637	0.4
335.09174	2.8
336.06149	1.5
336.09879	0.5
337.06882	1.8
338.07776	0.5
339.08624	58.8
340.08914	0.7
343.09579	0.8
345.10126	1.6
349.07016	0.8
349.10770	0.4
350.07712	0.8
351.08609	3.0
351.12262	0.6
353.10181	1.4
357.09671	14.5
359.09256	0.5
359.26010	0.4
360.09952	3.1
361.10751	1.4
361.23709	0.6
363.08542	4.2
363.12402	0.6
364.09479	1.2
365.10156	1.4
365.14096	0.6
369.09564	0.7
375.08044	0.6
375.12253	6.0
377.10168	1.5
377.26819	1.2
378.10968	9.3
379.11786	1.5
381.09445	0.6
381.13730	0.7
387.25281	1.0
391.11862	0.7
393.13318	32.7
394.13840	1.0
395.11319	0.6
396.11853	0.8
397.12589	0.8
399.28229	0.5
399.32706	1.1
405.26266	1.9
411.14368	100.0
412.14655	1.6
413.30426	0.6
417.33911	0.6
423.27472	1.5
425.30478	2.3
429.15356	1.5
431.31476	1.3
435.14249	1.1
443.31528	9.7
446.16989	0.6
453.15460	0.7
461.32645	10.4
478.32904	0.5
479.20667	4.3
479.33661	6.5
497.21848	6.1
497.34442	3.8
501.13687	2.0
515.22681	1.4
515.35773	0.8
519.14996	12.5
541.16278	0.4
561.16345	0.5
573.19781	5.8
605.14917	2.3
615.20325	2.7
641.18207	1.8
641.26031	2.2
659.19232	16.1
660.19769	0.6
677.28351	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30267	0.4
53.03935	2.3
55.01868	2.8
55.02088	0.7
55.05505	3.0
55.95384	0.4
57.03434	3.8
57.07035	1.7
59.04974	0.5
61.02919	2.5
65.03891	0.6
67.05170	0.5
67.05495	7.1
68.99776	1.9
69.03423	19.5
69.07062	5.9
69.64287	2.0
69.64699	0.8
70.06564	0.8
71.01320	0.7
71.04994	2.3
71.08611	0.5
72.08122	0.9
73.02917	2.7
79.05482	3.0
81.03414	13.4
81.07050	14.8
82.07314	0.4
83.01291	1.5
83.04932	1.6
83.08606	2.0
83.32465	0.4
84.08101	0.3
85.02898	23.7
85.06534	5.0
87.00829	6.0
87.04443	0.8
89.02352	0.6
90.70757	0.4
91.03903	0.8
91.05486	3.1
93.07036	6.1
95.04958	1.9
95.08598	11.6
96.24718	0.4
97.02292	0.5
97.02877	8.4
97.06490	1.4
97.10121	1.7
99.00805	0.4
99.03925	0.3
99.04440	4.0
99.08064	0.7
101.02344	0.8
103.03905	1.3
103.05403	0.4
105.01869	2.8
105.03355	0.5
105.07021	3.5
107.04915	0.6
107.07981	0.5
107.08586	7.1
109.02870	11.1
109.06483	1.5
109.09467	0.6
109.10143	7.7
111.04436	2.6
111.08085	0.9
111.11675	0.4
113.05949	0.6
115.03841	0.6
117.01794	0.8
117.06953	0.4
119.04899	1.1
119.08552	2.6
121.06503	1.9
121.10125	5.0
123.04375	1.3
123.08016	1.2
123.11694	3.5
125.05919	1.5
125.09618	0.8
127.03906	19.0
128.06200	0.4
129.01843	1.8
129.06924	0.5
131.04887	1.1
131.08517	1.1
133.02811	0.7
133.06482	0.8
133.10129	3.3
135.04424	2.2
135.08003	1.0
135.11668	4.2
137.05980	3.9
137.09589	0.6
137.13240	2.5
139.03873	1.6
139.07530	2.7
141.05397	1.2
143.08521	0.9
145.02789	0.5
145.04906	3.7
145.06389	0.7
145.10112	2.0
147.02817	0.7
147.04361	3.3
147.07993	0.5
147.11615	1.7
149.05910	1.1
149.09579	1.1
149.13249	4.2
150.03091	0.5
151.03844	1.4
151.07526	2.5
151.11172	0.5
151.14742	0.8
153.05449	5.5
153.09056	0.5
155.07013	0.9
155.08403	0.5
157.10045	0.8
158.07242	0.5
159.02905	3.6
159.04152	0.7
159.08037	0.9
159.11655	1.3
161.05937	0.8
161.09547	0.7
161.13211	1.3
163.03922	0.4
163.07468	0.7
163.11131	0.6
163.14766	1.5
164.07013	0.5
165.04131	0.7
165.05467	10.3
165.06850	0.8
165.09128	2.1
165.12682	0.4
166.09409	0.6
167.07036	10.4
167.10701	0.4
168.07451	0.6
169.10092	0.4
171.02907	0.4
171.06528	7.6
171.07968	1.0
171.11539	0.6
173.09566	0.9
173.13219	0.8
175.03926	0.6
175.07436	0.5
175.11121	0.6
175.14810	0.5
177.05399	1.1
177.09099	0.7
177.12729	0.3
179.06985	0.8
181.04948	0.6
181.08495	1.0
181.12186	0.5
183.03020	0.4
183.06502	1.2
183.08025	0.5
183.11525	0.5
185.05933	0.5
185.13232	0.4
187.05945	0.7
187.11209	0.5
188.08228	0.5
189.05376	0.5
189.09058	0.5
189.12604	0.5
189.16373	0.4
191.03337	0.6
191.10641	1.4
191.17946	0.7
193.12141	0.6
195.08052	0.7
195.09958	0.6
199.07530	0.4
201.09076	1.8
202.09898	0.5
203.06947	1.2
203.17863	0.8
205.12180	1.1
205.19435	1.3
207.06503	0.6
207.10014	0.7
207.13638	0.5
209.11681	1.0
213.09016	1.2
215.10504	0.5
217.05029	0.4
217.12172	0.4
221.11571	0.8
225.11157	0.7
226.06038	0.5
227.07016	3.5
229.04967	2.5
231.04913	1.3
239.12764	0.8
241.12379	0.5
244.07204	0.7
245.07921	0.5
247.05785	0.5
253.05014	0.4
255.06520	1.9
269.07925	0.5
273.25803	0.8
278.26630	0.4
279.06372	0.5
279.10107	0.7
280.07092	0.4
283.05975	0.5
285.07498	1.6
287.10513	0.5
291.06635	0.6
291.26874	0.5
293.07996	0.8
295.06067	0.9
296.07169	0.5
297.07434	0.9
303.09985	0.5
305.11758	0.5
305.17700	0.5
307.06140	0.5
307.09460	2.0
307.19067	0.8
308.06720	0.6
309.07483	2.4
310.04565	1.1
311.05118	1.2
311.08655	0.6
312.05310	1.1
313.07016	1.7
317.08127	0.8
318.08658	0.6
319.09296	0.5
319.18784	0.7
321.07452	1.8
321.11243	1.5
323.05692	0.5
323.09137	1.1
324.06259	7.3
325.07037	6.3
325.10431	0.5
326.07495	5.0
327.07599	5.1
332.10425	0.8
333.07507	0.5
333.11075	0.9
333.20557	0.7
335.09137	5.9
336.06226	1.3
336.09821	0.9
337.06909	1.5
338.07541	0.6
339.08624	16.6
339.12720	0.9
340.09119	0.7
345.07281	0.8
345.11163	0.7
346.08279	0.6
347.08832	0.6
347.12680	0.8
349.06940	1.4
349.10767	1.4
350.07779	1.1
350.11542	0.8
351.08609	3.8
353.10025	0.6
357.09631	1.3
359.09299	0.8
359.25961	0.7
360.09961	3.4
361.10693	2.1
362.07416	0.7
363.08539	8.7
363.12372	2.3
363.25348	0.5
364.09366	1.1
365.10040	1.6
365.13937	1.0
366.10651	0.7
367.11130	0.6
369.08929	0.5
371.10828	0.8
375.12292	3.8
377.09970	3.0
377.26968	1.9
378.06238	0.9
378.10941	10.8
379.11615	0.7
381.09064	0.5
381.13345	6.2
391.12015	0.9
392.08484	0.7
393.13278	93.1
394.13779	1.8
399.32861	0.9
403.07755	0.5
404.08868	0.5
405.08710	1.1
409.12677	0.5
411.14340	100.0
412.14819	2.0
417.13171	0.5
417.29843	1.5
421.09027	0.9
422.09500	0.7
423.09738	0.8
425.30585	2.0
429.15417	47.0
430.15640	1.0
431.31519	1.1
435.14432	2.4
435.30338	1.8
443.31577	10.3
453.15482	0.8
453.32098	0.5
460.31345	0.6
461.32495	13.8
467.15839	0.8
479.33670	10.5
496.33075	0.5
497.22412	0.8
497.34644	5.6
515.17725	0.9
515.35443	2.7
543.18842	0.6
544.18829	0.6
545.19232	1.9
573.19403	1.7
585.15186	0.6
591.20996	1.5
597.20044	0.7
605.14954	0.9
629.21027	0.6
641.19019	1.8
659.19507	12.9
677.20630	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	676.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01859	1.8
55.05500	2.7
57.03233	0.5
57.03435	5.8
58.06588	1.0
58.47748	0.6
59.04986	1.0
61.02911	1.1
65.03933	1.0
67.05498	1.7
69.03435	4.1
69.07062	0.8
70.06586	11.7
71.01348	0.9
71.04988	31.6
72.08161	3.6
73.02901	1.5
74.29868	0.7
75.04462	1.2
78.77465	0.5
79.05492	0.8
81.03397	3.4
82.06579	2.2
83.04979	3.6
84.04507	0.9
84.08131	15.3
85.02898	34.4
86.03190	0.9
86.06062	1.4
86.09731	0.9
87.04456	1.3
88.03929	0.6
91.05479	2.5
93.07048	1.0
94.06571	1.0
95.04935	1.3
95.08595	1.2
96.08134	5.1
97.02898	4.0
97.06568	1.1
98.06051	0.7
98.09684	53.3
99.04453	2.2
100.07627	1.0
101.06007	1.3
103.03949	0.9
105.07021	1.5
107.04955	1.8
109.02869	2.0
109.10118	1.2
110.02399	0.6
110.05997	0.9
111.04436	2.5
114.09163	2.0
119.04905	3.2
119.08559	0.9
121.02861	18.5
122.06069	0.7
123.04457	1.9
125.06038	0.7
127.03871	3.6
128.07086	3.0
128.10733	0.9
129.05473	2.4
131.04926	1.5
133.06445	1.0
135.04512	0.7
136.07552	1.2
137.05968	1.9
138.05492	1.4
141.05362	0.7
142.08627	5.4
144.10193	6.4
145.02838	2.0
145.05003	0.7
146.11768	1.6
147.04372	10.4
149.05948	1.0
151.03949	1.2
151.07489	0.7
152.07037	0.8
161.05988	1.0
163.03873	1.5
163.07422	0.8
167.07016	5.8
175.07526	0.9
177.05476	1.2
178.08685	2.0
185.31412	0.7
187.07533	1.0
189.01837	1.6
191.03352	0.7
195.02966	0.9
203.03357	1.1
205.05093	1.0
207.02893	2.1
207.06557	1.6
229.05016	0.8
231.95512	0.6
242.13942	0.8
252.12411	1.2
255.06509	1.0
256.09821	2.5
267.11368	1.3
270.13397	5.4
279.06433	0.9
283.06073	5.0
285.07635	0.9
288.14377	9.9
290.15948	1.4
293.08197	1.0
295.05978	13.2
295.10968	0.9
296.06699	1.4
297.07526	3.5
305.08133	2.3
307.06027	21.7
307.09402	1.7
308.06738	1.9
309.07581	4.8
309.10886	1.2
311.09302	1.3
313.11813	0.7
315.13141	0.9
317.07990	1.2
319.06210	1.5
319.09674	1.6
320.07004	1.7
321.07590	9.8
321.11188	1.8
322.08209	1.9
323.09009	3.5
325.07043	13.9
325.10471	0.8
331.09702	2.0
332.12979	1.0
333.07602	3.7
333.11053	1.5
335.09171	7.5
337.07089	3.7
337.10721	1.6
339.08621	1.7
341.13925	1.1
343.09616	1.7
344.12784	2.8
345.07559	1.1
345.13699	2.0
346.10983	1.1
347.09171	2.9
348.12317	1.0
349.07132	5.1
349.10825	2.9
350.13879	1.5
351.08539	1.9
353.10022	1.6
356.12955	1.9
360.12305	2.1
361.06976	1.0
361.10727	9.0
362.14075	6.2
363.08646	2.8
363.12592	1.5
365.10632	0.9
367.11591	0.8
368.14944	5.8
369.13773	3.0
373.06766	1.2
373.14389	1.4
374.13947	7.2
375.08395	1.6
377.10339	1.8
378.13580	1.4
379.07535	1.2
379.11963	2.3
380.14874	3.6
382.14401	0.8
385.10754	0.9
386.13879	0.9
389.10004	1.6
391.07742	4.3
392.14941	28.2
393.09784	1.2
394.13016	2.0
403.12137	3.2
408.14536	1.0
409.09235	1.2
410.15967	37.4
414.13318	0.8
416.15097	3.3
417.09607	1.2
419.11353	1.8
422.16663	1.3
423.14709	1.7
427.11066	0.9
428.15036	1.1
432.15045	1.0
433.12894	1.5
434.15894	15.5
439.15082	0.9
440.12888	5.4
444.96301	0.8
445.13193	1.0
446.16263	1.4
448.14059	2.3
452.17337	0.9
458.16284	4.9
459.17886	0.8
463.14624	1.0
464.17722	1.9
476.17099	8.6
481.15512	2.8
494.18930	8.6
499.17068	2.5
512.19617	35.2
513.19086	0.8
514.20313	0.9
517.17926	1.8
530.20856	30.3
535.19568	1.6
556.21783	10.8
586.18744	1.2
646.28467	1.0
658.24902	10.9
676.25885	100.0
677.26355	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	676.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01854	0.8
55.05492	2.3
57.03430	6.5
58.06572	1.2
59.04975	1.4
61.02898	1.3
61.42471	0.4
62.03346	0.5
65.03924	0.8
68.05000	0.8
69.03433	3.1
69.07038	0.6
70.06586	3.3
71.01333	1.2
71.04986	34.5
71.62630	0.6
72.08138	1.3
73.02901	2.0
75.04448	2.0
81.03410	4.5
81.07053	0.9
82.06573	4.4
83.04961	3.7
83.08603	0.8
84.07624	0.8
84.08133	15.7
85.02898	34.4
86.06035	1.2
86.09654	0.5
87.04441	2.0
88.03956	1.9
91.05447	1.2
93.07043	0.6
95.04932	2.0
95.08592	0.9
96.08107	1.1
97.02868	2.2
97.06526	0.6
98.05999	0.6
98.09682	8.1
99.04418	1.6
100.07607	0.9
101.06012	1.3
105.06998	1.4
107.04910	0.6
107.08581	1.0
109.02851	1.1
109.10065	0.6
111.04404	2.3
114.05547	0.7
114.09108	1.0
119.04917	1.4
119.08575	0.7
121.02859	12.9
123.04449	0.5
124.07558	0.8
127.03870	1.8
128.07068	13.6
129.05470	2.9
129.06960	0.6
133.06416	0.6
137.05959	1.4
138.05476	0.6
142.08678	0.7
144.10165	1.6
145.02794	2.0
145.04942	0.7
146.11690	0.7
147.04402	3.5
163.03864	0.7
163.07520	0.7
167.07014	2.9
174.12373	1.0
175.03810	0.6
177.05479	0.9
178.34714	0.6
186.38237	0.6
187.03923	0.7
189.05478	0.7
191.03464	0.6
191.14165	0.6
193.12216	2.0
195.02884	0.8
199.03911	0.9
201.05368	0.6
205.04961	1.1
207.02846	0.9
207.06450	0.8
211.03867	0.8
215.03377	1.1
217.04956	2.2
225.05359	0.7
229.04947	0.8
231.02946	0.5
231.06627	0.5
233.04338	1.0
235.05765	0.7
241.04904	1.1
245.04401	1.0
247.06096	0.7
249.04062	0.6
255.06451	1.0
267.15799	1.1
270.13300	0.8
271.06042	1.1
273.03851	0.5
279.06451	0.9
283.05960	1.8
285.16898	2.9
288.14291	1.8
290.15936	1.3
291.06519	0.6
291.09775	0.5
292.07318	0.6
293.07959	1.4
294.05078	1.3
295.02844	0.8
295.06000	10.0
296.06552	0.8
297.07495	2.1
305.08121	4.7
306.08859	1.3
307.05923	9.7
307.09494	2.9
308.06644	1.2
309.03986	1.0
309.07520	9.1
309.17068	0.7
311.05521	0.8
317.07999	3.6
318.11478	1.2
319.05853	1.4
319.09625	2.1
320.06638	2.8
321.07556	6.7
322.08096	0.7
323.05524	0.8
323.09067	8.4
325.07037	4.5
329.08041	3.3
331.05930	0.8
331.09439	2.3
333.07388	5.2
334.08203	2.1
335.08942	8.1
337.06976	5.0
337.10730	1.5
339.08591	2.4
345.07541	2.7
346.10873	3.0
347.09061	7.4
348.12451	3.8
349.06784	3.3
349.10760	2.6
351.08691	2.6
352.11819	0.7
353.10187	3.6
354.13297	0.7
359.08942	2.0
360.12286	2.6
361.06790	3.4
361.10690	3.1
362.10242	1.5
363.08490	6.5
363.12399	0.9
364.11710	2.5
365.10110	8.4
367.08047	1.0
371.09045	2.4
373.06665	1.5
373.10666	2.8
375.08417	2.6
376.11581	2.0
377.10162	3.6
378.13260	2.8
379.08044	3.8
379.12143	0.7
381.10220	0.7
383.09164	0.7
387.08533	1.7
389.10092	6.9
391.07913	6.4
391.11877	0.6
392.15338	2.4
393.09702	2.7
394.12869	10.8
396.14297	1.7
398.12524	2.5
399.08282	0.9
401.10278	3.5
402.13278	1.9
403.07950	2.3
405.09323	0.8
406.12918	1.1
407.11343	3.3
409.09186	2.9
410.12064	3.2
410.15930	3.5
414.13214	2.0
415.07758	1.3
417.09503	4.1
418.12866	4.1
419.11246	6.8
420.14520	2.5
421.13412	0.6
422.11914	0.9
423.14310	0.6
424.14075	3.1
425.12286	0.7
427.08215	0.7
430.12601	2.0
432.14529	3.9
433.09085	1.7
434.15738	1.2
435.10629	0.8
437.12396	0.8
440.13354	23.8
441.13977	1.1
445.09009	3.2
448.13815	12.3
450.15256	1.9
459.17688	0.9
463.10098	4.0
464.13287	5.7
466.14923	6.7
467.15189	0.6
468.16483	1.0
470.14240	3.5
476.13013	1.1
481.10992	1.6
484.15875	0.8
494.14221	16.6
512.15253	46.9
513.15674	2.3
517.17706	0.6
530.16382	56.8
531.17102	3.0
556.21588	1.4
586.19263	7.4
658.21112	6.0
676.22040	100.0
677.22412	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	675.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
57.03441	0.4
67.05501	0.5
69.03425	1.0
69.07076	0.6
70.14795	0.7
70.15196	1.0
71.04971	0.3
81.03408	0.7
81.07050	1.2
83.04966	0.3
85.02900	1.0
91.05472	0.7
93.07055	0.4
95.04953	0.4
95.08610	0.6
97.02907	0.4
98.18469	0.3
105.07037	0.4
107.08563	0.4
107.65006	0.3
109.10152	0.5
121.02940	0.5
121.10069	0.3
123.04424	1.0
127.03909	0.9
131.33173	0.3
133.10222	0.4
134.36880	0.3
143.08595	0.3
145.10132	0.3
147.04460	0.3
147.11746	0.3
147.84415	0.3
151.07518	0.3
167.07018	0.3
175.07657	0.4
185.34409	0.3
187.07626	0.3
260.05115	0.3
310.04755	0.4
324.06418	0.5
325.07086	1.1
337.07065	0.7
338.07852	0.7
339.08661	0.7
353.10187	3.9
367.11835	0.5
409.16595	1.7
413.16293	0.9
427.17606	1.5
428.18228	0.5
430.16760	0.5
444.18033	0.3
445.18829	0.6
453.15994	0.4
454.16812	0.7
455.13110	0.5
456.14474	0.4
457.14685	0.5
466.12756	0.3
467.12427	0.5
467.17896	0.7
468.13617	1.9
469.14746	6.6
470.15637	2.1
471.16806	1.1
472.17322	0.5
479.17288	0.3
480.14209	0.5
481.14548	2.6
482.15817	9.3
483.16629	7.3
484.17807	1.7
485.18051	0.6
487.16104	0.5
495.16479	2.7
496.17404	5.3
497.18207	35.2
498.18787	5.2
499.19888	0.7
500.17239	0.5
506.38962	0.3
509.17856	0.4
510.18878	2.0
511.19943	5.2
512.20697	1.5
513.18054	0.8
515.19482	3.0
523.17816	0.5
524.18677	0.3
527.15674	0.3
528.16101	1.9
538.20605	0.7
539.22913	0.3
541.17059	0.8
542.17889	1.8
543.18329	0.4
555.18567	2.9
556.19299	3.3
557.20093	2.9
569.19202	0.5
571.21851	0.9
573.21808	0.5
575.21674	0.5
587.21906	0.7
616.21863	1.3
617.22180	0.8
624.60175	0.4
629.22388	0.6
630.23389	0.4
643.23969	6.6
644.24701	6.4
645.23700	1.2
657.25568	5.8
660.24316	1.0
675.26569	100.0
676.26801	6.9
688.08264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05500	0.7
57.03432	0.5
58.38903	0.3
61.02931	0.4
67.05497	1.5
69.03424	1.3
69.07069	0.7
69.99281	1.7
71.05004	0.3
73.02879	0.5
75.76973	0.3
76.26176	0.3
79.05487	0.8
81.03405	1.2
81.07063	1.5
83.04980	0.6
83.08612	0.4
85.02890	2.3
91.03952	0.3
91.05472	0.8
93.07025	1.2
95.04949	0.7
95.08600	1.4
97.02876	1.1
99.04437	0.4
105.07013	1.7
107.04926	0.5
107.08580	0.8
109.02887	1.1
109.10162	0.8
111.04463	0.4
115.03938	0.3
119.08598	0.8
121.02876	0.4
121.06470	0.4
121.10131	0.5
123.04425	1.8
123.08042	0.6
124.33852	0.3
127.03923	1.3
131.04866	0.4
131.08556	0.5
133.10088	0.9
134.18066	0.4
135.11688	0.8
145.04936	0.4
145.10103	0.4
147.04436	0.8
147.11681	0.4
149.13200	0.5
151.07549	1.2
153.05550	0.4
159.11702	0.5
161.05978	0.5
161.13228	0.4
167.07076	0.6
171.11646	0.3
175.07585	0.9
175.14862	0.4
189.09126	0.4
200.78337	0.3
211.07275	0.3
217.08716	0.4
255.06642	0.4
259.20596	0.5
274.70898	0.3
277.21686	0.5
295.05984	2.7
324.06387	0.7
325.07129	0.6
337.06921	0.6
339.08585	2.4
351.12009	1.3
351.25360	0.8
353.10144	0.7
357.09790	0.5
369.13235	0.3
379.11307	0.4
411.14432	0.4
412.15054	0.7
413.15848	2.8
426.16702	0.6
427.17664	1.6
428.18597	0.6
429.15506	0.8
430.16446	0.8
440.19031	0.5
441.19302	1.2
442.16354	0.5
443.17273	1.0
444.18039	1.1
445.18741	2.2
453.15494	0.7
454.16797	0.5
455.18057	0.7
456.13522	0.4
456.18930	0.5
457.15143	1.8
458.19852	0.6
467.12418	0.5
467.17401	1.3
468.13742	0.6
468.18649	0.5
469.14258	2.6
470.15045	1.5
471.16324	3.2
472.17566	1.7
480.14127	1.6
481.14682	2.3
482.15735	2.9
483.16638	3.7
484.17258	1.0
485.18466	4.0
486.18750	0.5
494.16080	0.7
495.16623	8.0
496.17319	5.1
497.18210	10.0
498.19376	1.8
499.15396	0.5
499.20047	1.0
500.16898	0.5
509.17545	0.4
510.18997	0.6
511.19669	1.0
513.17706	2.9
514.18732	0.6
515.19720	1.5
523.16864	0.4
527.19220	0.3
528.16119	0.3
529.20917	0.9
530.21448	0.3
531.19147	0.4
536.19519	0.5
538.20349	0.5
542.17908	0.8
555.18665	10.4
556.19031	1.4
557.20746	0.8
558.18829	0.3
569.20203	0.5
573.23840	3.2
583.22235	0.8
585.23022	0.7
596.21783	0.8
601.23029	0.5
616.22668	0.4
617.22296	3.1
627.21423	0.3
630.22723	0.4
643.23779	3.7
644.24390	1.5
645.21912	2.6
657.24713	1.0
660.24261	5.8
675.26550	100.0
676.26813	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	675.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01817	1.3
55.05486	1.0
57.03434	1.8
57.07048	0.3
57.66391	0.2
60.81432	0.2
61.02913	1.6
65.03915	0.3
66.72849	0.2
67.05486	1.1
69.03418	6.6
69.07058	1.6
70.87444	0.4
70.87773	0.3
71.04963	0.9
72.08140	0.2
73.02470	0.3
73.02882	0.9
79.05465	0.9
81.02978	0.2
81.03406	3.0
81.07040	2.4
83.04957	0.8
83.08611	0.4
84.08121	0.3
85.02893	12.7
85.06516	0.5
87.04455	1.3
89.03910	0.2
91.03947	0.5
91.05456	1.0
93.07026	1.4
95.04945	0.5
95.08601	1.9
97.02878	5.1
97.06500	0.4
99.04441	1.6
101.02367	0.5
103.03894	0.4
105.07024	1.0
107.04928	0.4
107.08581	1.2
109.02869	2.7
109.06493	0.3
109.10141	1.3
110.10506	0.2
111.04442	0.5
111.08028	0.4
115.03925	0.2
115.05450	0.2
117.03333	0.8
119.04924	0.4
119.08569	1.2
121.02850	0.6
121.06468	0.5
121.10118	0.9
123.04375	0.4
123.08006	0.5
123.11667	0.9
125.05926	0.2
127.03903	3.0
127.49992	0.2
129.05446	0.3
129.06937	0.2
131.04875	0.3
131.08553	0.4
133.10097	1.0
134.03581	1.2
135.04451	0.4
135.11667	0.6
137.05946	1.0
137.09544	0.5
137.13181	0.2
139.03912	0.4
139.07523	0.5
143.08611	0.3
145.02922	0.2
145.04951	1.1
145.06494	0.2
145.10143	0.4
147.04366	1.0
147.11693	0.5
149.05975	0.7
149.09581	0.4
149.13235	0.3
151.03874	0.8
151.07521	0.7
151.11163	0.2
153.01776	0.5
153.05400	0.3
159.04276	0.2
159.11655	0.3
161.05960	0.2
161.09558	0.3
161.13234	0.3
163.11148	0.4
164.06979	0.4
165.05507	0.5
165.09079	2.3
167.07025	2.6
169.06483	0.2
171.04376	0.4
171.11703	0.3
175.03876	0.3
175.07454	0.2
175.14818	0.3
177.01910	0.4
177.05455	0.5
179.03384	0.5
179.10571	0.3
181.04932	0.3
181.06500	0.5
181.12228	0.2
183.06468	0.3
189.05492	0.4
191.03389	0.4
191.10558	0.3
191.14236	0.4
195.02834	1.0
199.03798	0.2
199.07632	0.3
199.11203	0.2
201.09129	0.2
203.03348	0.3
203.18045	0.2
205.12210	0.4
207.06500	0.4
207.10204	0.3
209.11925	0.3
213.09050	0.3
217.04887	0.9
225.05377	0.2
226.06294	0.3
227.03400	0.4
241.08490	0.4
245.04353	0.3
249.32533	0.2
253.04951	0.9
254.05591	0.4
255.06398	0.2
265.04855	0.5
276.07721	0.4
279.06577	0.6
280.07172	0.4
282.05121	0.8
283.06067	0.4
291.06534	0.3
293.04495	0.6
293.07770	0.4
294.05115	0.7
295.05978	0.5
297.07513	0.5
298.04663	0.6
299.05365	0.3
301.07123	0.4
303.06528	0.5
303.10010	0.2
304.07193	0.5
307.06000	0.5
308.06766	0.6
309.04358	0.2
309.07419	1.2
310.04669	19.3
311.05151	0.5
313.07007	2.1
315.06375	0.3
319.06024	0.3
319.09555	0.5
321.07492	0.4
322.04672	2.8
322.08136	0.4
323.05344	0.6
323.09042	1.2
324.02533	0.4
324.06238	1.8
325.07004	100.0
326.07324	2.9
327.08118	0.3
331.05920	0.5
332.06735	1.7
333.07471	0.3
335.05435	0.5
335.09201	0.3
336.06161	2.7
337.07016	5.4
337.10605	0.3
338.07782	0.5
339.05054	0.5
339.08575	3.8
343.05835	0.3
346.08194	0.4
347.05273	0.7
347.09116	1.6
348.06192	0.8
349.07080	1.0
350.07813	4.1
351.08536	3.8
351.12585	0.3
353.06430	0.6
353.10461	0.4
355.08038	2.4
357.09500	0.5
360.06107	2.1
361.06903	0.3
362.08005	0.4
363.08633	1.2
365.10141	13.1
366.10641	0.4
367.08069	2.0
367.11612	0.4
369.09372	1.4
369.13455	0.6
373.07117	0.3
375.08606	3.2
376.05652	2.8
377.10150	1.0
378.07089	0.4
379.08029	4.5
379.12131	0.3
381.13284	15.9
387.04904	0.3
388.05679	3.8
389.06097	0.5
391.08066	13.9
393.09476	3.1
393.13351	2.8
397.08932	0.3
403.08066	15.5
404.08289	0.5
407.11087	0.8
409.09003	4.4
421.09058	13.2
422.09464	0.5
423.14166	0.3
431.14938	0.3
435.14258	2.5
439.10156	4.7
441.29761	0.7
445.09348	0.3
447.14359	1.1
449.30649	0.3
457.11420	1.9
459.14209	2.6
459.30765	1.4
463.09821	0.3
465.15369	10.8
466.15616	0.4
477.15204	7.4
477.32257	1.4
478.15955	0.3
487.05756	0.3
487.12341	4.0
495.16269	9.8
495.32333	1.0
513.17413	12.1
513.33807	0.4
514.17542	0.6
519.15051	0.5
523.14801	0.3
541.13367	0.9
543.18542	17.2
544.18915	0.7
553.13092	0.5
565.13208	0.7
571.14410	5.8
583.14410	6.1
584.14014	0.3
601.15411	3.4
609.19336	1.5
619.16382	2.8
621.19537	1.6
627.11188	0.4
627.20728	4.8
639.20697	4.8
657.21582	5.7
675.22406	4.2
675.33081	0.3
676.22815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55836	0.1
50.88305	0.2
53.03936	0.8
55.01867	1.3
55.05482	0.4
57.03429	1.1
57.88486	0.2
61.02920	1.2
65.20342	0.2
67.05499	1.0
68.63421	0.1
69.03424	6.4
69.07034	0.4
69.30812	0.1
69.41352	0.3
69.41766	1.1
70.06586	0.3
71.04939	0.6
72.08112	0.3
73.02913	2.6
75.86300	0.1
79.05457	0.3
81.03411	4.4
81.07062	0.9
83.04930	0.2
85.02897	11.1
85.06494	0.2
86.03214	0.2
87.00793	0.1
87.04426	0.3
91.03899	0.6
91.05446	0.6
93.07000	0.6
95.04908	0.2
95.08588	0.8
95.78342	0.2
97.02297	0.3
97.02879	4.3
97.10106	0.2
99.04443	1.3
101.02373	5.4
105.06973	0.5
105.15356	0.1
107.04894	0.3
107.08585	0.7
109.02869	3.1
109.06467	0.3
109.10092	0.5
115.03835	0.2
117.07012	0.2
119.03351	0.6
119.04910	0.3
119.08524	0.5
121.06417	0.2
121.10116	0.4
123.04401	0.2
123.08047	0.2
123.11692	0.4
127.03910	6.4
130.20479	0.1
131.04916	0.2
131.08461	0.3
133.02687	0.2
133.10107	0.4
134.03596	0.3
135.04333	0.2
135.08020	0.3
135.11655	0.3
137.02385	0.2
137.05908	0.5
143.03363	0.2
145.04950	4.1
145.10098	0.2
147.04356	0.6
147.11638	0.5
149.05942	0.4
149.09593	0.2
151.03853	0.4
151.07515	0.5
151.11172	0.2
157.06435	0.1
157.10010	0.2
159.04341	0.2
159.08046	0.2
159.11668	0.3
161.05974	0.3
161.09737	0.1
163.03860	0.2
163.07503	0.3
165.05450	0.3
165.09094	0.3
167.07062	1.1
168.07323	0.2
173.04503	0.4
173.05925	0.2
173.09599	0.2
173.13264	0.2
175.07408	0.2
177.05447	0.2
177.09085	0.3
187.11168	0.2
189.05376	0.2
189.09082	0.2
189.16463	0.2
191.03305	0.2
191.17902	0.2
198.06717	0.2
201.05385	0.3
203.03409	0.2
203.07080	0.2
213.05434	1.0
217.08490	0.2
225.05421	0.2
226.06198	0.2
227.06900	0.5
229.04887	0.3
229.08424	0.2
231.06393	0.5
245.06416	1.4
247.05936	0.5
261.09070	0.2
262.08386	0.2
267.06763	0.2
279.06335	0.2
285.07742	0.2
287.10602	0.3
289.08566	0.3
293.08099	0.3
295.05902	0.2
297.07663	0.2
299.05621	0.2
299.54913	0.2
301.07230	0.3
303.10052	0.5
304.10751	0.2
305.07956	0.3
305.11282	0.2
307.05756	0.2
307.09686	0.5
308.06674	0.4
313.07089	0.4
319.05978	0.2
321.07507	0.4
321.11148	0.3
322.04703	0.2
323.05490	0.3
323.09094	0.7
324.06201	4.1
325.06979	0.4
326.07742	0.2
327.08630	0.4
331.09482	0.2
332.10297	0.4
333.07361	0.2
333.11349	0.3
335.09045	1.5
336.06253	1.2
336.09821	0.4
337.07022	0.5
337.10593	0.2
338.07642	0.3
339.08572	7.7
340.09088	0.3
343.09644	0.6
346.08307	0.4
347.09021	0.3
349.06955	0.7
349.10745	0.5
350.07651	0.7
350.11411	0.3
351.08655	2.1
351.12363	0.3
353.10226	0.5
357.10193	0.2
359.08957	0.5
360.09915	2.7
361.10538	0.7
363.08536	4.1
364.09189	1.0
365.10052	2.4
365.14014	0.3
367.11734	0.5
369.09488	0.4
375.12277	4.9
376.12595	0.2
377.10043	0.9
378.10947	8.4
379.11569	0.9
381.13461	0.2
393.13281	30.8
394.13617	1.7
396.12061	0.6
407.14996	1.1
411.14340	100.0
412.14651	4.4
425.15921	0.7
453.15448	0.2
456.19974	0.2
457.29330	0.2
475.30408	0.3
613.14972	0.2
655.19812	0.8
673.20819	1.2
673.38373	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	673.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33933	0.3
52.35817	0.3
53.03930	1.8
55.01843	0.4
55.05503	1.5
57.03391	1.0
57.07050	0.5
58.51773	0.3
61.02905	0.5
65.03915	0.4
67.05499	2.0
68.99753	0.4
69.03429	4.8
69.07023	1.4
69.64672	0.3
70.06543	1.0
71.05000	1.5
71.62875	0.5
71.63230	0.4
72.08125	0.7
73.02874	1.2
79.05444	1.1
81.03405	5.7
81.07043	3.2
83.04980	1.5
84.08104	0.5
85.02895	8.3
85.06486	0.9
86.09667	0.4
87.00783	0.5
87.04447	0.4
91.05441	1.2
93.07019	2.3
95.04931	0.9
95.08582	3.0
97.02887	5.0
99.03843	0.4
99.04443	5.9
103.03932	2.8
103.05449	0.3
105.01757	0.3
105.07016	2.1
107.04913	0.7
107.08607	1.9
109.02866	7.3
109.06481	0.7
109.10131	2.3
117.06939	0.9
119.04921	0.5
119.08540	1.6
121.06470	0.7
121.10110	1.7
123.04434	0.8
123.08006	0.5
123.11643	1.2
125.05960	0.4
127.02950	0.5
127.03895	9.5
131.08565	0.7
133.06461	0.7
133.10085	1.1
134.03575	0.4
135.04361	1.2
135.08005	0.4
135.11691	1.0
137.05965	0.9
141.01810	0.4
143.08496	0.5
145.04907	1.7
145.06435	0.5
145.10066	0.8
147.04399	1.8
147.11618	1.0
149.02397	1.6
149.05899	0.3
149.13124	0.4
151.03850	0.6
151.07571	1.7
151.11182	0.4
153.05469	0.7
157.06511	0.5
157.10085	0.5
159.07985	1.2
159.11613	0.5
161.02345	1.6
161.05922	0.5
161.13188	0.5
163.03848	0.9
163.07492	1.2
163.14816	0.5
165.01758	0.4
165.05449	0.7
165.09077	1.1
165.12616	0.4
167.03287	0.6
167.07001	2.2
171.02928	0.3
171.07909	0.3
173.05919	0.4
173.09613	0.4
173.13190	0.4
175.03847	0.5
175.07393	0.9
175.14798	0.4
177.05441	0.6
177.09102	0.4
179.03378	5.3
179.06996	0.4
181.04898	0.9
183.02910	0.8
183.07904	0.4
185.05956	0.6
187.06036	0.7
187.07507	0.5
189.05472	0.4
189.09097	0.6
190.06149	0.4
191.03381	2.3
191.10638	0.6
191.17862	0.6
193.04919	0.4
197.04416	4.6
201.05455	1.0
202.06081	0.4
203.03317	0.9
203.10707	0.3
203.17867	0.4
205.04913	1.0
205.08589	1.0
209.04414	0.5
215.06949	1.4
215.17920	0.5
216.60767	0.3
217.08504	0.6
217.19563	0.6
221.04462	0.7
227.07011	0.7
233.08069	10.4
243.06439	0.5
251.09003	0.6
255.06560	0.7
263.07022	0.5
265.04868	0.5
265.08618	0.3
267.06491	0.5
269.08035	0.5
269.11642	1.3
279.10086	1.0
283.06036	1.0
291.06534	0.3
293.11560	0.6
295.06052	1.9
297.07629	0.8
297.11157	2.5
299.05444	0.6
306.08682	0.5
307.09418	0.5
309.07654	0.9
311.12604	0.4
313.07037	6.2
317.08014	0.4
318.08694	0.4
319.05978	0.7
321.07382	0.4
321.11172	0.4
324.06198	0.4
325.07080	2.8
325.10492	0.7
326.07196	0.5
327.08527	0.9
331.09653	1.1
333.07507	0.6
334.08170	0.8
335.09106	0.6
337.06949	2.4
339.08566	1.3
349.10657	5.0
351.08597	1.0
352.09457	0.9
365.10101	0.6
367.11725	100.0
368.12112	3.8
379.11661	1.2
393.13403	1.9
393.87534	0.4
395.11191	1.1
409.12610	2.0
411.14240	3.4
427.13162	0.4
457.29248	1.0
475.30353	1.4
493.18582	0.5
493.31601	1.0
511.19565	1.0
529.16760	3.0
544.18988	0.5
574.31140	0.3
611.21149	8.5
612.21222	0.5
637.19257	5.4
655.20032	6.7
655.31146	0.5
655.35699	0.4
656.20850	0.4
673.21143	37.1
674.21460	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	673.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01864	0.2
55.05498	0.2
57.03419	0.5
57.56965	0.1
61.02915	0.3
67.05492	0.6
69.03421	2.3
69.07057	0.2
70.76000	0.5
71.04973	0.6
73.02898	0.6
79.05470	0.4
81.03410	3.0
81.07031	0.5
83.04980	0.2
85.02895	6.6
87.04453	0.2
91.05482	0.4
93.07029	0.3
93.28010	0.1
95.04950	0.2
95.08595	0.3
97.02883	4.5
97.10155	0.1
99.04443	5.3
99.05094	0.3
103.03933	5.6
105.07018	0.3
107.04925	0.2
109.02103	0.2
109.02869	2.8
109.10152	0.2
111.04456	0.1
115.03926	0.2
117.06997	0.2
119.08585	0.4
119.34759	0.1
121.06481	0.2
123.04417	0.7
127.03905	9.2
131.08578	0.2
133.10133	0.3
134.03629	0.3
137.05972	0.3
145.04945	3.6
147.04410	0.3
149.05972	0.2
153.01828	1.6
161.05927	0.2
163.05986	1.0
163.55635	0.1
163.60648	0.1
165.05496	0.1
167.07043	0.1
169.04932	0.2
176.00960	0.2
177.01778	0.2
177.05563	0.2
183.57965	0.2
187.06012	0.5
191.03387	0.1
191.10565	0.2
194.02138	0.3
199.06047	0.2
200.04684	0.3
201.05501	0.6
203.03371	0.6
205.07153	0.2
207.02744	0.1
208.03650	0.2
218.05717	0.3
219.06400	0.2
221.04446	1.2
225.09238	0.2
236.06642	0.7
237.05304	0.2
241.04958	0.2
253.04877	0.4
253.08658	0.3
257.04370	0.1
263.06833	0.2
265.04968	0.3
267.06497	0.5
267.15985	0.2
268.07135	0.1
269.04535	0.2
269.08060	0.3
271.08084	0.4
277.08505	0.3
278.09122	0.3
279.06259	0.2
279.09991	0.2
281.04944	0.2
281.08054	0.9
282.05179	0.4
289.08704	0.3
292.07166	0.3
293.04422	0.2
295.06009	0.7
295.09634	0.4
296.06982	0.1
296.10437	0.5
297.07520	0.9
298.04688	3.3
299.05115	0.2
300.06006	0.1
301.07001	0.2
306.08807	0.2
307.09634	0.5
309.04083	0.3
309.07538	2.7
310.04745	0.9
310.07990	0.2
311.05515	0.3
311.09103	0.3
311.12534	0.2
313.07040	6.0
313.10663	0.3
314.07364	0.2
317.08054	0.6
319.05911	0.3
320.06796	0.6
321.11047	0.3
323.05475	0.7
323.08926	0.3
324.06277	0.6
325.07037	2.2
325.10699	0.6
327.08560	0.2
333.07364	0.3
334.08401	1.4
335.09055	0.9
337.07013	6.5
338.07797	1.4
339.08542	0.7
339.12210	0.4
349.10620	1.8
351.08670	0.8
352.09360	7.7
353.09726	0.4
367.11722	100.0
368.07349	0.2
368.12064	4.4
369.99997	0.1
409.12820	0.2
479.16812	0.4
500.91016	0.2
673.19519	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	673.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01871	0.4
55.05476	0.3
57.03429	1.5
59.04999	0.2
61.02910	0.3
67.05476	0.7
68.99786	1.3
69.03070	0.3
69.03421	4.2
69.07048	0.3
69.32323	1.4
69.32732	0.5
69.91228	0.2
71.04965	0.5
72.08132	0.3
72.70392	0.2
73.02887	0.7
79.05464	0.4
81.03410	4.7
81.07037	0.7
85.02895	5.5
85.06503	0.2
87.00809	0.6
87.04453	0.2
91.05456	0.5
93.07031	0.4
95.04919	0.3
95.08572	0.4
95.38598	0.2
97.02881	4.4
97.06533	0.3
98.20753	0.3
99.04436	1.4
101.02368	4.2
103.03907	0.4
105.06988	0.3
107.04939	0.3
109.02868	5.0
109.10145	0.3
111.08064	0.2
115.05497	0.2
119.03404	9.9
121.10087	0.3
123.04436	0.2
127.03902	5.5
131.03386	1.6
133.10043	0.3
134.03586	0.2
135.04419	0.3
135.07932	0.2
137.02252	0.2
137.05910	0.4
141.05464	0.2
145.04944	1.3
145.06488	0.2
147.04411	0.3
149.05943	0.3
149.09616	0.2
151.03876	0.5
151.07526	0.4
161.04538	0.2
161.05934	0.2
167.07082	0.3
173.04442	3.1
175.07452	0.2
177.09160	0.2
185.05855	0.2
189.05453	0.3
195.08015	0.3
198.06677	0.2
199.07486	0.2
213.05424	0.7
217.04921	0.2
223.07532	0.3
226.06218	0.2
227.06966	0.6
229.04877	0.4
245.06532	0.6
247.05986	0.6
255.06566	0.4
261.09070	0.3
279.06650	0.3
279.10025	0.2
281.07968	0.3
289.08673	0.4
291.06610	0.2
293.08047	0.2
295.05920	0.4
295.09271	0.2
296.06845	0.2
303.10251	0.6
307.06171	0.2
307.09653	0.6
308.06802	0.4
309.07574	0.5
310.08328	0.2
311.05499	0.4
321.07526	0.6
321.11276	0.5
321.51932	0.2
322.11789	0.2
323.09167	0.5
324.06210	4.3
325.06686	0.4
326.07535	0.2
327.08722	0.3
331.09665	0.4
332.10477	0.5
335.09030	1.7
336.06253	1.1
336.09784	0.4
337.07104	1.2
337.10559	0.3
339.08597	7.0
340.09021	0.3
343.09692	0.5
345.07397	0.4
347.08966	0.2
349.07010	0.7
349.10672	0.4
350.07742	0.5
350.11475	0.5
351.08572	2.2
351.12234	0.3
353.10153	0.7
359.09155	0.6
360.09882	2.4
361.10489	0.6
363.08542	4.2
364.09125	0.9
365.10107	0.9
365.13721	0.3
367.11743	4.1
369.09570	0.4
373.10706	0.6
375.12262	4.5
377.10172	0.6
378.10907	8.4
379.11588	0.7
389.13898	0.4
391.11856	0.9
393.13275	31.6
394.13712	1.2
395.11337	0.2
396.12112	0.7
397.12814	0.3
407.14850	3.3
411.14328	100.0
412.14691	4.7
412.18927	0.1
425.15894	5.1
453.15298	0.3
479.05206	0.2
511.19955	0.2
607.96118	0.2
673.20978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01837	0.2
55.05500	0.3
56.25277	0.2
57.03418	0.5
60.67478	0.1
61.02909	0.3
65.03934	0.2
67.05470	0.5
69.03424	2.4
69.07072	0.3
70.03416	0.3
70.03815	0.8
70.06574	0.2
71.04973	0.6
73.02894	0.5
79.05475	0.4
81.03410	2.6
81.07036	0.5
83.04964	0.3
83.08606	0.2
85.02897	5.7
86.03201	0.2
91.05453	0.3
93.07011	0.4
95.04970	0.2
95.08588	0.6
97.02879	3.3
98.20827	0.3
99.04442	3.7
103.03293	0.3
103.03932	3.9
105.07019	0.6
107.04942	0.2
107.08585	0.2
109.02875	2.1
109.10155	0.3
121.10103	0.3
123.04414	0.5
123.11584	0.2
127.03906	7.7
128.04178	0.2
129.06990	0.2
131.08542	0.3
133.10132	0.3
133.30061	0.2
134.03659	0.2
135.04391	0.2
135.32841	0.2
137.05937	0.3
145.04944	2.6
145.10175	0.4
147.04385	0.3
147.08096	0.2
159.07964	0.2
163.05997	0.7
163.07324	0.2
167.07051	0.6
169.04936	0.2
181.05031	0.2
187.06012	0.4
192.82045	0.2
197.05859	0.2
201.05394	0.3
203.03362	0.5
218.05768	0.3
221.04436	0.4
232.92535	0.2
236.06805	0.4
253.04846	0.3
261.08914	0.2
263.06934	0.2
265.05103	0.3
267.06549	0.3
271.08109	0.3
277.08691	0.2
281.08163	0.3
282.05087	0.4
282.08908	0.2
289.08603	0.3
292.07330	0.4
293.04416	0.4
295.06064	0.8
295.09409	0.2
297.07449	0.7
298.04706	1.9
301.07230	0.3
305.08005	0.2
307.09784	0.4
309.07516	1.5
310.04742	0.7
310.07904	0.2
311.09152	0.2
311.12665	0.2
313.07019	4.1
318.08469	0.2
320.06589	0.4
321.07675	0.3
321.11319	0.3
323.05487	0.4
323.09067	0.2
324.06210	0.6
324.09702	0.3
325.07040	1.7
325.10782	0.4
327.08710	0.2
333.07541	0.3
334.08392	1.3
335.09085	0.7
337.06992	4.6
338.07755	0.8
339.08487	0.6
339.12271	0.3
349.10721	1.8
350.11295	0.2
351.08667	0.6
352.09387	5.6
367.11728	100.0
368.12091	3.5
393.13339	0.8
405.16254	0.4
407.16943	0.2
407.31769	0.2
423.17477	0.3
493.18134	0.2
655.21820	0.9
673.20807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19870	1.4
55.01873	1.9
55.05497	7.6
57.03426	6.4
57.07068	33.0
61.02932	10.5
67.05490	18.9
68.05817	2.4
69.03409	3.3
69.07062	7.3
69.35978	11.3
69.36399	5.2
71.04971	2.0
71.08625	28.1
73.02896	5.8
79.05463	10.1
81.03403	9.2
81.07043	22.0
83.04990	2.1
83.08610	15.6
85.02896	17.7
85.10177	23.1
89.05978	2.0
91.03943	15.2
91.05463	9.3
92.05755	1.8
92.17472	1.6
93.07034	7.5
93.53192	1.4
94.22359	1.7
95.04954	9.5
95.08589	27.4
95.09150	2.3
96.08945	1.9
97.02897	9.0
97.06527	1.4
97.10130	8.0
98.21545	2.3
105.07024	7.0
106.07321	2.1
107.04945	3.1
107.08577	4.9
109.02866	2.3
109.10144	15.0
111.11671	1.5
117.07025	3.5
119.08593	5.8
121.10109	3.4
123.11703	5.1
125.13243	2.2
127.03912	7.4
129.06987	1.9
131.04959	2.6
131.08578	2.0
133.06491	1.9
133.10103	3.4
134.10437	1.9
135.08066	2.4
135.11659	2.4
145.04930	9.5
145.10107	3.2
147.04341	2.5
157.10149	2.3
161.09648	2.2
163.06017	14.5
163.11217	1.9
173.13245	1.4
195.34198	1.5
239.23682	17.9
257.24808	4.7
283.06024	5.2
301.14426	2.4
302.14499	2.9
313.27332	100.0
314.27704	3.9
331.28381	49.9
335.25729	2.4
336.26376	1.7
337.10583	8.2
359.07187	1.5
359.11554	1.7
511.39618	1.7
598.79626	1.6
608.25616	4.3
618.38562	2.3
636.39520	6.0
640.28375	12.9
654.40448	4.6
672.19391	2.1
672.31049	2.5
672.41656	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
53.18547	0.7
67.05486	1.8
70.42077	0.6
71.08605	0.7
71.62176	1.2
76.11556	0.7
77.03925	1.0
77.16154	0.7
79.05479	4.1
81.07046	1.1
81.21754	0.7
87.04459	6.6
89.06026	44.8
91.05487	6.8
93.07037	3.1
95.04975	2.2
95.08601	0.9
97.10152	0.8
103.05466	5.1
105.07024	100.0
106.07382	1.3
107.04955	1.8
107.07069	2.6
117.06983	1.0
119.04934	1.6
119.08563	3.0
121.06493	22.6
122.09712	0.7
128.07716	0.8
129.06987	2.6
130.08650	1.9
131.07027	1.9
131.08531	7.2
133.08597	32.4
147.08041	25.8
149.09596	5.9
163.11180	0.8
164.71368	0.7
165.09097	1.8
175.09619	1.4
177.11218	12.7
181.10074	0.8
193.12248	0.8
202.12260	1.2
204.13718	0.8
209.11684	1.2
221.13840	2.8
223.11195	1.3
225.12729	14.2
233.16426	2.3
239.14690	0.9
249.12781	2.4
251.14270	2.8
251.17365	0.9
269.15286	3.5
283.17645	1.3
313.17874	2.2
314.90323	0.8
315.17630	0.9
359.20816	1.0
373.21521	5.0
379.49323	0.7
393.48654	0.9
409.16629	0.8
447.25946	3.4
551.32031	5.9
655.38104	3.1
672.41785	1.0
673.21216	0.9
673.43671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
59.04986	0.6
67.05501	2.0
69.03423	0.9
69.07066	0.6
69.58089	0.9
69.58486	3.7
79.05489	5.7
81.03413	0.7
81.07043	2.1
82.03771	0.6
87.04464	5.8
89.06030	40.3
91.05477	6.2
93.07051	4.0
94.57213	0.6
95.04976	3.5
95.08585	1.1
96.31645	0.6
98.20781	1.2
102.29881	0.6
103.05458	6.0
105.07028	100.0
106.07362	0.8
107.03419	0.6
107.04946	1.6
107.07053	2.1
107.08608	0.9
109.10149	0.7
117.07061	1.4
117.09101	0.6
119.04962	1.4
119.08573	4.2
121.06499	16.6
129.06995	2.6
130.08629	2.1
131.07047	2.6
131.08551	6.4
133.08601	30.0
133.10182	1.7
135.08009	0.8
145.06464	1.2
147.08043	25.5
148.08493	0.7
149.09602	4.6
159.11636	0.7
165.09148	2.4
172.37566	0.6
175.09692	1.0
177.11209	12.0
181.10103	0.9
187.93611	0.7
191.10719	0.8
195.12131	0.6
197.03209	0.6
209.11740	1.1
221.13855	2.4
223.11246	1.8
225.12723	13.9
226.13039	0.8
249.12717	2.7
251.14226	3.1
269.15402	4.5
283.17398	0.8
311.16119	0.7
313.17792	1.9
357.20615	0.7
359.20676	1.1
373.21536	6.1
447.25848	3.4
507.29623	0.8
551.32159	6.1
640.28345	1.8
655.38367	2.5
672.30933	1.2
672.41162	1.4
673.43304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03663	0.2
53.03928	1.0
55.01872	3.9
55.05254	0.4
55.05507	5.0
57.03427	0.8
57.07069	0.6
58.06600	1.3
61.02917	0.4
65.03928	0.5
67.05502	2.2
68.05017	0.9
69.03430	1.9
69.07073	1.9
70.06588	9.6
70.94450	0.5
70.94810	0.5
71.04990	2.7
72.08149	2.4
73.02907	0.3
79.05486	6.6
81.03420	1.9
81.07052	11.8
82.06553	1.0
82.81280	0.3
83.04988	1.5
83.07359	0.4
83.08623	2.7
84.04487	0.5
84.08147	2.1
85.02898	2.5
85.06533	0.5
86.06132	0.3
86.09725	0.3
87.04457	1.2
91.05484	2.2
92.80693	0.2
93.07034	3.7
94.06543	1.0
95.04363	0.3
95.04969	5.9
95.08598	3.1
96.04485	0.3
96.08132	2.8
97.02920	1.9
97.06526	31.0
97.10139	0.7
98.06056	0.7
98.06830	0.3
98.09686	18.2
99.04449	3.0
99.08080	0.8
100.07603	0.9
105.04488	0.3
105.07026	3.7
107.08591	6.2
108.08102	0.7
109.02878	2.2
109.06506	3.8
109.08912	0.5
109.10155	3.4
110.09677	1.1
111.04471	0.3
111.08081	0.5
112.07609	0.5
115.03895	0.3
117.07017	0.4
119.04925	0.8
119.08569	1.6
121.02921	0.3
121.06532	0.4
121.10130	4.0
122.09669	0.5
123.04465	0.3
123.08035	1.4
123.11732	1.8
124.11223	44.4
125.05988	15.6
125.09624	0.9
127.03903	3.6
127.07531	1.2
127.08357	0.3
128.07077	0.5
131.05003	0.5
131.08557	1.2
133.06496	0.5
133.10120	5.2
135.08034	1.3
135.11699	0.4
136.07576	0.4
137.05959	0.4
137.44418	0.3
138.05446	1.7
138.09100	0.6
140.07127	0.5
142.12263	1.1
143.07039	0.3
143.08554	0.5
144.02214	0.3
145.04991	0.3
145.10152	0.8
147.04396	1.6
147.08063	0.3
147.11661	1.4
148.07660	0.4
149.06053	0.3
149.09627	0.4
149.13252	1.9
150.12766	0.8
151.07535	0.7
151.11200	0.9
152.10686	0.8
153.09096	1.1
158.10901	0.5
161.04372	0.3
161.05971	0.6
163.07510	0.6
163.11194	0.4
164.10710	0.6
165.12790	0.4
167.07076	0.8
167.14323	0.7
173.13268	2.1
177.05449	0.5
181.08591	0.4
191.06917	0.3
191.14326	0.9
192.10255	0.5
194.11775	2.1
199.06044	0.5
206.11800	0.4
207.06563	0.6
209.15318	1.4
212.10785	0.3
212.12791	0.7
224.12840	3.4
224.16386	1.4
236.16467	0.4
242.13997	0.4
248.16583	0.3
254.13911	0.7
264.15964	0.6
266.13953	1.6
266.17560	3.4
269.10123	0.3
284.18539	0.8
296.14966	1.0
314.15857	1.3
326.16010	1.1
326.19571	0.4
338.15823	0.5
356.17041	6.1
356.20438	0.3
368.16931	3.1
368.20575	0.4
370.18600	1.0
374.18124	3.5
386.17844	4.1
386.21704	0.5
392.20566	0.4
410.21658	3.3
428.22797	12.4
446.23743	3.3
594.33368	0.4
600.33759	0.6
612.33807	2.5
630.35046	1.2
636.37476	3.1
654.38446	18.2
655.38550	0.5
672.39514	100.0
673.39709	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	671.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.05507	0.8
59.40034	0.7
64.23283	0.6
71.62200	0.9
73.34296	0.7
79.05485	4.7
87.04449	4.4
89.06027	23.0
91.05470	2.4
93.07038	2.9
95.04976	2.1
103.05477	4.1
105.07027	100.0
106.07330	0.8
107.07063	1.5
119.04970	1.0
119.08609	0.8
121.06498	11.2
129.06984	0.9
130.08641	1.4
131.07062	1.5
131.08578	3.2
133.08600	17.0
147.08061	2.5
149.09607	1.1
165.09116	4.0
166.07692	0.7
175.81718	0.7
177.11212	6.0
209.11656	2.2
209.13411	1.2
219.04858	0.8
225.12700	4.4
227.13046	0.7
251.14302	2.3
269.15326	5.5
271.06000	1.4
271.15497	2.2
272.84030	0.7
313.17932	1.9
315.18045	1.7
329.19019	1.9
359.20621	14.0
373.21411	1.6
463.26917	12.4
567.32971	1.0
671.41113	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	671.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01831	0.8
55.05493	0.4
56.44731	0.3
57.03433	1.8
61.02922	1.6
67.05452	0.9
68.99776	0.6
69.03425	10.2
69.07047	0.5
69.54590	0.8
69.55002	2.0
71.01314	0.4
71.04945	1.4
73.02911	2.8
78.12691	0.3
79.05463	0.6
81.03413	8.9
81.07008	1.0
85.02901	14.5
87.00817	2.2
87.04426	0.6
91.05426	1.5
93.06973	0.6
95.04936	0.4
95.08556	0.6
97.02886	6.7
99.04451	5.4
101.02325	0.4
102.16856	0.3
103.03935	4.1
105.01810	1.2
105.06979	0.8
107.04886	1.4
107.08569	0.4
109.02869	7.6
109.10101	0.4
115.05431	0.4
117.01711	0.3
117.06975	1.0
119.04932	1.6
119.08504	0.5
119.42241	0.3
121.02857	2.4
121.06468	0.3
123.04365	0.4
127.03912	11.6
129.01775	0.7
129.07018	0.8
131.04857	0.7
131.08525	0.5
133.10086	0.5
135.08017	0.5
145.04932	3.1
145.06538	0.4
145.10019	0.3
147.02832	0.6
147.04372	0.8
153.01732	0.6
153.06972	0.6
157.06427	1.0
159.02803	0.6
159.04333	0.4
160.05127	0.8
161.02357	0.4
165.06894	0.4
167.06984	0.5
169.06479	0.4
171.04303	0.4
175.03839	0.4
181.06453	0.4
185.06007	1.5
187.05936	1.0
189.05449	3.0
195.02820	1.4
203.06979	1.0
204.09264	0.9
207.02792	0.5
209.05899	0.4
211.07808	0.4
213.03700	0.5
213.05441	2.3
215.08676	0.6
216.04163	4.1
217.04836	0.6
219.08113	0.4
219.11716	0.5
221.09601	0.5
225.05392	0.4
228.09323	0.7
229.10156	2.2
231.06155	1.7
231.08267	0.9
232.06613	0.6
232.08791	6.0
233.09480	0.4
234.05164	3.1
241.04837	0.4
247.11205	1.8
249.08937	0.6
251.07030	0.4
253.05006	0.6
257.09570	1.1
258.10547	0.5
259.07520	0.5
260.08353	3.0
261.09045	0.4
267.06186	0.3
269.04431	0.7
274.09778	0.4
275.10651	4.0
276.07788	0.4
277.08578	1.8
279.06476	0.9
283.05972	0.9
285.09119	0.6
289.08530	0.9
292.07336	1.0
293.04770	0.4
293.08090	1.2
293.11249	0.4
294.08704	0.9
295.05988	30.1
296.06354	0.4
303.10132	15.5
304.10587	0.4
305.08115	3.5
306.08691	0.8
307.05966	4.0
307.09598	3.4
308.09906	0.4
309.07516	0.7
313.08569	1.4
315.10168	0.5
319.05927	0.3
320.06714	0.4
321.07501	1.3
321.11328	0.8
322.08295	0.8
330.08856	0.7
331.09622	68.5
332.06561	0.6
332.10104	1.7
333.07550	3.9
334.08197	2.5
337.06976	0.7
345.11301	0.7
348.10001	0.7
349.10678	100.0
350.07498	3.5
350.11615	1.8
351.12292	0.6
355.09583	0.9
363.12173	0.4
365.10162	46.5
366.10510	1.7
367.11850	1.7
373.10706	2.6
391.11630	3.7
405.16937	27.2
406.17227	0.5
423.17453	0.8
457.11902	0.5
493.14853	0.5
499.12381	0.6
511.15915	4.9
518.88861	0.4
543.11200	1.5
551.85364	0.3
553.16992	17.0
554.17767	0.4
555.18573	1.0
567.22162	13.1
568.23065	0.4
579.14923	2.0
597.15979	23.8
598.16260	0.7
599.17755	3.4
609.23254	12.6
615.16974	1.2
635.21136	5.9
653.22223	46.0
654.22443	1.3
671.23328	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01851	0.8
55.05494	1.1
57.03422	0.8
59.05005	0.3
67.05502	1.7
68.99776	0.4
69.03423	3.9
69.07066	1.0
69.38300	0.9
69.38729	2.2
69.42279	0.2
70.06576	1.0
71.04980	1.2
72.08143	1.1
73.02903	0.8
79.05498	1.8
81.03413	4.0
81.07056	3.5
82.07385	0.3
83.05000	1.4
83.05392	0.3
83.08592	0.4
84.08128	0.7
85.02904	5.4
85.06538	1.0
86.09671	0.4
87.04440	0.3
91.05468	2.2
92.99753	2.2
93.07045	2.8
95.04955	1.2
95.08604	2.8
97.02888	3.4
97.06544	0.4
97.10146	0.4
99.00799	0.3
99.04448	4.1
100.07605	0.3
103.03940	1.6
105.03403	0.4
105.07024	2.0
107.04948	0.9
107.08595	2.1
109.02872	8.1
109.06488	0.8
109.10160	2.3
110.53510	0.3
111.04424	0.5
111.08021	0.4
117.06998	0.6
119.04910	1.3
119.08581	1.5
120.08077	0.3
121.06454	0.7
121.10131	1.7
123.04384	0.8
123.08100	0.6
123.11699	0.9
125.05981	0.8
125.09586	0.3
127.03912	8.2
128.06233	0.5
129.06996	1.2
131.04942	0.8
131.08553	1.2
133.06451	0.4
133.10089	1.2
135.04410	0.3
135.08040	0.4
135.11703	0.9
137.05975	1.8
137.09547	0.7
139.03886	0.3
141.09128	0.3
143.08563	0.4
145.04950	1.4
145.06456	0.8
145.10178	1.3
147.04382	2.7
147.07927	0.5
147.11702	0.8
149.05949	0.7
149.09618	0.5
151.03900	1.2
151.07518	0.9
153.01892	0.5
153.05447	0.8
155.04904	2.0
157.06477	1.2
157.10078	0.5
159.08087	0.7
159.11667	0.8
160.05223	0.5
161.05945	1.0
161.09634	0.6
161.13309	0.5
163.03899	0.5
163.05989	0.4
163.07538	0.9
163.11128	0.6
165.05493	3.4
165.06860	0.5
165.09085	0.6
165.12741	0.3
167.07045	4.6
169.10039	0.3
171.04396	0.3
171.11703	0.3
173.06012	1.0
173.09601	0.6
175.03885	0.8
175.07549	0.9
175.14815	0.5
176.08266	0.4
177.05476	0.8
177.09042	0.3
179.10709	0.3
181.08664	0.5
183.11630	0.3
185.05959	2.1
187.06006	0.4
187.07561	0.6
187.11154	0.5
189.05414	0.8
189.09164	0.4
191.03413	0.7
191.07027	0.6
191.10651	0.5
193.04924	1.0
193.08580	0.5
193.10149	0.4
193.12003	0.3
201.05455	1.0
201.09108	0.3
203.03412	0.3
206.05707	1.4
207.06520	1.1
207.10143	0.7
209.07961	0.5
213.05466	0.7
215.03284	0.3
216.04173	1.2
217.04912	1.3
217.08369	0.4
219.06503	0.6
221.09633	0.7
223.07607	0.5
224.10443	0.5
229.04881	0.7
234.05138	0.6
235.07692	0.4
237.05380	0.5
238.09792	0.5
247.07529	0.4
248.08286	1.3
249.08910	1.4
251.07024	0.9
253.04837	0.5
255.06496	0.5
255.13538	0.3
259.07666	0.3
265.08521	2.5
266.09348	1.7
271.05963	0.3
276.07922	0.4
277.08469	1.9
279.06454	0.9
281.04501	0.6
281.11737	1.6
282.05283	0.4
285.04047	0.5
293.08026	3.6
294.08850	1.2
295.05954	0.8
297.07782	0.5
300.06210	1.0
301.07056	0.6
303.04932	4.0
304.07321	0.7
305.08154	2.1
306.08688	0.6
307.06131	1.5
307.09161	0.3
308.06717	0.4
309.04041	0.6
309.11194	1.3
311.05450	0.7
313.07092	0.6
318.08829	0.3
321.07559	2.2
321.10870	0.5
322.04941	0.6
322.08298	8.8
323.05377	0.6
323.09030	0.8
324.06201	3.4
325.06918	0.5
332.06775	0.8
333.07455	1.2
335.05289	0.8
335.08994	0.7
337.06995	0.9
337.10666	12.6
347.09204	1.2
349.07080	1.0
349.10834	0.4
350.07819	30.0
351.08127	0.6
363.08578	1.0
364.09882	0.3
365.10168	100.0
366.10376	1.6
379.11984	0.4
381.13477	0.4
393.09402	0.5
395.11160	0.4
407.11224	1.0
409.12982	0.5
423.14270	0.5
453.54877	0.3
455.27618	0.6
469.34122	0.3
473.28839	1.6
488.27417	0.3
491.13589	0.3
491.30020	1.6
509.14011	1.8
527.08234	0.4
527.15466	4.7
609.19574	14.7
611.17700	0.7
635.17542	12.9
653.18530	10.8
670.37817	0.7
671.19415	22.3
671.37292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.52257	0.1
54.27168	0.1
55.01859	0.2
55.05494	0.3
56.49398	0.1
57.03421	0.5
58.89787	0.1
59.04999	0.1
59.78773	0.1
61.02920	0.7
67.05485	0.4
68.09014	0.1
68.99804	0.2
69.03421	3.6
69.07040	0.2
71.04286	0.3
71.05004	0.8
73.02912	0.8
76.43185	0.1
79.05493	0.4
79.40086	0.1
81.03405	3.6
81.07063	0.7
83.04946	0.2
83.08620	0.1
85.02894	7.7
87.00791	0.2
87.04456	0.2
91.05465	0.5
91.17928	0.1
93.07039	0.3
93.80087	0.1
95.04953	0.3
95.08573	0.5
97.02880	5.5
97.03507	0.3
99.04442	5.8
101.02323	0.1
103.03930	6.4
105.07062	0.3
107.04893	0.2
107.08588	0.3
109.02872	3.7
109.10120	0.2
111.04408	0.2
115.03899	0.3
117.06988	0.4
119.04900	0.1
119.08589	0.2
121.02869	0.3
121.06474	0.2
121.10155	0.1
123.04465	0.2
125.02433	0.1
127.03902	9.8
129.06979	0.3
131.04990	0.2
131.08557	0.1
135.04425	0.2
145.04935	3.6
149.05974	0.2
157.06459	0.2
160.05171	1.4
163.05984	1.1
166.03096	0.1
168.63074	0.1
175.03885	0.4
178.07794	0.1
185.05931	0.2
187.05965	0.5
187.07477	0.1
188.04718	0.7
189.05447	0.8
193.10135	0.2
195.02887	0.3
199.06018	0.2
203.06917	0.2
203.08562	0.2
213.05453	0.8
216.04153	9.6
217.04897	1.5
221.09554	0.4
229.10103	0.3
231.06148	0.2
231.08173	0.3
232.08830	0.5
234.05182	7.2
238.48381	0.1
248.08481	0.1
249.09071	0.6
260.08368	0.4
261.09140	0.1
265.08350	0.3
266.09338	1.2
271.08032	0.3
271.93314	0.1
275.10638	0.4
276.07870	0.5
277.08566	2.2
279.06393	0.2
289.08838	0.2
292.07306	0.2
293.08005	1.6
294.08783	1.5
295.05954	3.0
295.09302	0.2
303.06906	0.2
303.10114	1.5
304.07248	0.5
305.08047	5.6
307.05966	0.5
307.09543	0.3
309.11267	0.4
311.05566	0.4
319.09665	0.2
321.07513	0.5
322.08286	1.0
331.09616	7.1
332.06699	1.7
332.10217	0.3
333.07541	6.5
334.08234	0.4
337.10660	0.3
349.10660	11.4
350.07791	8.0
365.10147	100.0
366.10556	1.5
367.11905	0.3
373.10571	0.4
389.10184	0.2
391.11517	0.5
405.16940	2.7
407.11026	0.3
511.15787	0.6
553.16974	1.4
567.22137	1.5
579.14807	0.2
597.15967	2.4
599.17352	0.2
609.23163	1.3
615.17126	0.2
635.21094	0.7
653.22156	4.7
671.20819	0.2
671.35718	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	670.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09179	1.2
53.00261	1.3
53.03943	1.8
55.01854	1.5
55.05502	23.0
55.97902	1.3
57.03426	9.2
57.06839	1.5
57.07069	13.1
61.02922	22.8
67.05497	38.3
67.88976	1.3
69.03427	5.0
69.07059	37.2
69.37488	15.4
71.04980	4.4
71.08636	8.5
73.02898	8.3
75.04467	2.9
75.42944	1.3
79.05484	13.9
79.60402	1.2
81.03405	5.6
81.07050	48.9
83.04967	2.9
83.08126	2.8
83.08607	36.6
83.92545	1.5
85.02901	30.0
85.06528	3.4
85.10172	4.4
87.04406	1.6
91.03938	26.2
91.05467	3.7
93.07034	25.8
95.04958	1.6
95.08595	35.9
97.02876	17.0
97.06517	9.5
97.10168	24.8
99.08046	1.7
99.34998	1.4
105.07030	2.5
107.08582	18.9
107.40369	1.4
109.02899	2.0
109.10149	17.7
111.08041	6.8
111.11701	7.0
115.07555	1.9
119.08587	1.9
120.52825	1.4
121.10126	43.9
123.11697	12.0
125.09604	3.8
125.13207	1.7
127.03906	11.0
133.10124	2.0
135.11670	31.8
137.13242	9.4
139.11176	3.3
141.12657	1.8
145.04936	11.8
149.13235	11.8
153.12733	2.1
163.06007	19.2
163.14824	7.6
177.16376	3.0
181.15817	1.4
219.21060	42.0
229.14417	3.0
237.22104	100.0
255.23155	20.1
311.12146	1.4
311.25775	98.1
312.26080	2.2
328.52365	1.4
329.26825	89.4
329.43900	1.6
358.16644	1.7
473.30960	5.9
506.17917	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	670.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05254	1.8
55.05508	23.3
57.03434	8.2
57.06813	1.7
57.07071	19.4
60.62897	1.1
61.02922	15.9
67.05499	15.2
69.03429	3.9
69.07062	47.6
71.04642	2.9
71.04989	2.8
71.08625	15.5
73.02913	7.1
75.04471	3.6
79.05493	7.6
81.03411	3.5
81.07054	21.5
83.04990	2.3
83.08612	36.3
85.02896	25.3
85.06545	1.3
85.10177	6.6
91.03948	18.1
91.05475	2.9
93.07032	12.6
95.04955	2.3
95.08598	15.0
97.02891	13.2
97.06526	7.8
97.10163	39.7
99.04441	1.9
99.08051	1.1
105.07002	2.2
107.08592	11.6
109.02892	1.7
109.10160	6.6
111.08084	4.5
111.11721	12.5
115.07544	1.5
119.08580	2.2
121.10138	21.6
123.11687	5.2
125.09581	5.1
125.13249	3.2
127.03904	8.7
127.11238	1.1
129.09067	1.8
135.11674	17.8
137.13257	3.0
139.11174	3.4
139.14781	1.2
143.10713	1.5
145.04947	9.3
149.13245	8.9
151.14839	1.3
153.12721	2.5
163.06001	15.4
163.14769	5.2
167.14290	2.4
176.82996	1.1
177.16269	1.6
181.15874	1.9
185.15367	1.3
199.16884	1.1
219.21075	23.4
236.96591	1.1
237.22093	34.1
239.04372	1.0
255.23161	31.5
296.25803	1.7
311.25775	100.0
329.26825	47.8
329.30801	1.9
455.29578	1.3
473.31140	10.5
597.15924	1.1
670.29236	2.9
670.40283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01848	0.4
55.05494	0.3
56.15579	0.1
57.03411	0.3
59.53764	0.1
61.02911	0.2
64.35336	0.1
67.05484	0.3
68.05016	0.1
69.03081	0.1
69.03422	2.1
70.06581	0.7
70.89468	0.1
70.89796	0.2
71.01353	0.1
71.04987	0.6
72.08151	0.7
73.02894	0.5
78.03445	0.6
79.05468	0.4
80.05012	0.1
81.02981	0.2
81.03413	2.4
81.07047	0.5
83.04990	0.8
84.04475	0.1
84.08140	0.3
85.02894	5.1
86.09702	0.2
87.04465	0.2
88.63377	0.1
91.05468	0.5
93.07025	0.3
94.06541	0.1
95.04962	1.2
95.08586	0.2
96.04493	0.2
96.08118	0.4
97.02879	30.2
97.06505	0.8
98.03210	0.1
98.09658	0.4
99.04444	3.7
103.03931	4.0
105.07008	0.5
106.02908	2.6
107.04961	0.2
107.08567	0.4
108.92477	0.1
109.02865	3.2
109.06509	0.3
109.10146	0.4
110.09668	0.2
111.04426	0.3
114.09161	0.8
114.09923	0.1
114.10248	0.1
115.03906	0.3
119.04952	0.3
119.08553	0.2
119.21670	0.1
121.06468	0.2
121.10125	0.3
123.04417	0.1
123.08054	0.1
123.11702	0.2
124.03941	5.7
124.11230	0.7
125.06005	0.5
126.91258	0.1
127.03899	100.0
128.04242	0.6
129.05450	0.1
131.08582	0.1
133.04990	0.1
133.10124	0.4
135.04390	0.1
136.07530	0.1
137.05945	0.2
138.05501	0.5
139.03891	0.1
141.05455	0.1
145.04930	3.1
147.04388	1.4
147.11594	0.1
148.04724	0.2
148.11182	0.1
149.09677	0.1
149.13295	0.2
153.05487	0.2
153.09090	0.1
163.05983	1.2
167.07028	0.6
169.04913	0.2
171.06480	0.9
177.05522	0.1
187.06010	0.7
189.07587	0.2
191.14352	0.2
196.06131	0.4
199.05978	0.2
202.08382	0.1
207.06569	0.1
220.06013	4.7
238.07074	2.5
238.09245	0.2
240.15907	0.2
252.16028	0.1
253.07062	0.2
254.06467	0.2
256.08115	1.5
256.15567	0.2
264.16064	0.3
271.08112	1.2
280.08191	0.2
282.17035	0.2
289.09143	0.9
300.17957	0.1
305.17493	0.2
307.10431	0.3
324.18051	0.1
346.09244	0.3
364.10150	0.1
364.70935	0.1
381.96057	0.1
382.11472	0.3
396.20163	0.1
400.12378	0.9
408.20264	0.2
426.21436	0.3
428.23163	0.1
433.13364	5.7
434.13983	0.1
444.16507	0.1
444.21945	0.6
482.16431	0.6
503.46957	0.1
508.14648	0.2
526.15533	0.8
544.16541	4.0
652.37500	0.6
669.34131	0.2
670.38281	4.7
688.02582	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	670.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.9
50.31673	0.6
51.02364	3.3
51.29601	0.6
55.01859	1.7
55.05506	0.7
61.02911	0.9
65.03944	0.8
67.05489	1.4
69.03416	2.7
69.07058	1.0
70.06576	1.8
70.96046	1.1
70.96432	1.4
71.04999	1.1
72.08151	1.1
78.03447	33.2
79.05468	1.1
80.05009	0.9
81.03400	1.9
81.07045	2.0
84.08122	1.7
85.02900	3.6
86.09710	0.8
87.04431	0.6
91.05478	2.0
93.03413	0.8
93.07024	0.9
95.04957	1.5
95.08594	1.4
96.04481	13.8
97.02879	6.7
97.06502	0.8
98.09675	0.9
99.04483	1.0
102.11767	0.5
105.07002	0.9
106.02907	100.0
107.03299	0.6
107.04970	1.2
107.08558	1.0
109.02881	3.4
109.10159	1.1
111.04411	1.1
119.04952	4.3
119.06036	1.1
119.08563	0.9
121.02865	17.3
121.10133	1.2
123.04417	0.8
124.03944	35.6
127.03892	4.3
131.04884	0.8
133.10156	0.8
135.04410	0.7
135.08057	0.7
137.06007	1.5
138.05496	4.6
145.02847	2.4
147.04398	4.9
149.02280	0.8
153.05487	0.7
159.04425	0.8
161.02368	0.9
163.03937	1.5
165.01845	0.8
167.07033	1.8
171.04480	0.9
171.06526	2.0
175.14806	0.8
177.01819	0.7
177.05428	1.4
179.03432	1.3
181.04977	0.9
187.03879	1.3
189.01807	3.4
190.02794	0.8
190.04996	1.8
191.03378	4.9
194.02061	0.9
195.02879	3.6
199.03879	1.0
201.05417	0.8
203.03423	3.0
205.04977	1.1
207.02921	6.7
207.06566	0.7
209.04446	2.1
213.05499	0.9
215.03372	1.8
217.04948	2.0
219.02910	5.2
221.04472	1.7
227.03452	1.6
229.04965	1.0
231.02847	1.5
232.06013	1.6
233.04402	1.4
241.05023	0.8
243.02834	1.5
245.04469	1.1
250.07104	1.4
251.07040	0.9
255.02959	1.4
268.08200	6.6
269.04556	0.7
273.03998	1.5
279.06583	3.6
281.08081	3.3
283.06006	1.9
291.06866	1.0
292.07346	1.1
292.44968	0.6
293.08157	1.6
294.05225	9.6
295.05981	28.4
296.06467	1.9
297.07697	1.8
301.07159	0.7
305.08105	1.4
307.05981	38.4
308.06686	11.9
309.04175	0.9
309.07501	16.7
313.06976	2.4
317.08112	1.6
319.05927	7.9
320.06671	2.7
321.07541	12.9
322.08191	1.2
323.05392	1.9
323.09103	1.7
325.07037	14.3
329.07806	0.7
332.06665	0.9
333.07520	8.7
335.05350	1.6
335.09128	4.0
336.06067	1.1
337.07016	49.8
338.07275	1.1
339.08636	2.6
345.07452	3.7
347.09155	2.2
349.07016	13.0
349.10492	0.7
351.08640	3.9
353.06436	0.6
359.08914	0.9
361.07037	22.7
362.07632	1.3
363.08612	5.5
367.08109	7.6
373.06982	4.7
375.08429	3.6
379.08066	12.2
381.09631	0.7
387.08560	1.4
391.08072	36.5
392.08142	0.8
397.09164	4.9
399.10638	2.7
400.12378	1.2
402.09592	1.0
403.07910	3.4
405.09641	1.3
409.09177	24.7
414.09766	2.0
415.08942	2.5
421.09195	2.7
427.10236	40.0
428.10617	1.0
430.09091	1.7
433.09183	2.7
439.10129	4.1
442.09256	0.7
445.09238	6.9
451.10233	3.9
457.10703	3.4
460.10239	12.5
463.10037	6.5
469.11435	3.7
475.09967	3.4
481.11258	12.0
493.11288	4.2
511.12286	6.5
514.11218	2.2
529.13306	6.7
532.12396	17.4
538.13141	1.1
547.14240	2.6
550.13379	22.0
562.13116	3.4
580.14478	35.2
581.14697	0.9
598.13031	1.1
604.14349	0.8
616.14349	1.4
634.15704	3.1
652.16412	8.1
669.35834	0.8
670.17322	16.9
670.36517	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	670.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	1.1
54.86480	1.3
55.01868	4.9
55.05510	2.0
57.03429	2.3
61.02913	2.8
65.03943	2.0
67.05506	3.4
69.03414	3.4
69.07064	3.3
69.30592	2.9
69.31014	8.5
70.06584	6.5
71.05007	1.4
72.08164	6.9
73.02914	1.5
78.03452	19.2
79.05501	3.4
79.47163	1.2
80.05016	5.6
80.10330	1.0
81.03421	6.2
81.07050	5.2
83.04975	2.1
84.04510	1.3
84.08136	4.2
85.02902	9.3
85.06508	1.3
86.06070	2.0
86.09695	2.3
91.05488	7.7
93.03440	1.1
93.07043	3.9
95.04988	2.9
95.08609	3.9
96.04479	15.4
97.02898	8.6
97.06546	2.2
97.65450	1.0
98.06051	1.4
98.09633	1.2
98.21443	2.1
99.04436	1.6
103.05477	2.0
105.03384	1.9
105.07031	4.5
106.02915	59.5
107.04971	3.5
107.08591	2.8
109.02889	4.1
109.10170	3.2
110.07159	1.4
110.10526	0.9
111.04462	1.9
112.07613	1.7
114.10326	1.0
115.05506	1.3
119.04948	10.8
119.05841	1.0
119.06073	0.9
119.08575	2.7
120.05311	1.0
120.08117	2.6
121.02865	35.8
121.06600	2.3
121.10131	3.1
123.04395	1.5
123.08044	1.2
123.11710	1.3
124.03954	100.0
124.07570	1.3
126.09122	1.8
127.03918	14.1
128.04257	1.2
131.04907	2.0
131.08644	0.9
133.06529	1.8
133.10164	3.0
135.04425	2.2
135.08072	1.1
135.11765	1.3
136.07545	1.3
137.05998	3.8
138.05461	2.2
138.72832	1.1
140.07063	1.6
145.02821	5.2
145.04893	1.3
145.06522	1.7
145.10204	1.5
147.04405	22.3
147.11671	1.4
148.04741	2.6
149.05984	2.5
151.03951	1.6
151.11086	1.0
152.07076	1.6
153.01808	2.2
157.06531	1.3
159.04414	1.8
160.83656	0.9
161.05989	1.7
163.03917	3.2
163.07515	1.7
164.07169	1.1
165.01805	1.8
166.04996	1.5
166.08633	1.9
167.07039	14.1
168.07463	1.2
170.72444	1.0
171.02946	1.3
171.04337	1.4
173.05974	1.4
175.03865	4.7
175.14778	2.3
177.01830	1.6
177.05495	4.2
179.03339	2.9
181.04922	1.5
183.02953	1.3
187.03865	2.4
189.01820	5.6
189.05554	1.1
191.03412	4.2
191.07114	1.1
191.14330	1.0
193.04939	1.3
193.08472	1.9
194.04483	1.1
195.02838	5.4
199.03935	1.4
201.01759	1.0
201.05559	1.3
202.10959	1.0
203.03404	9.0
204.04192	1.2
205.04939	2.2
207.02890	9.3
207.06319	4.6
208.06711	1.4
209.04414	1.7
211.09732	1.1
213.05563	2.7
215.03348	3.8
217.05043	4.6
218.11758	1.6
219.02853	5.0
221.04420	3.9
225.03835	2.3
227.03490	2.0
229.04929	4.9
231.02864	2.3
233.04486	4.4
239.03439	1.2
241.05022	2.0
243.02896	1.2
243.06569	2.1
245.04413	3.0
249.03955	1.4
253.05017	1.7
255.02988	2.3
255.06575	1.7
257.04474	3.3
261.03809	1.7
263.05493	1.1
267.06503	2.6
268.07339	3.2
271.06033	2.0
273.03900	3.1
273.07230	1.0
279.06540	3.7
280.07312	2.8
281.08078	5.5
283.05975	11.5
283.90866	1.1
284.06805	2.4
285.03964	2.1
291.06500	3.0
292.07330	2.7
293.07983	5.0
294.05234	19.7
295.06021	49.8
295.09314	1.8
295.85330	1.2
296.06625	5.3
297.04080	1.8
297.07593	6.8
301.06802	1.5
305.08142	3.1
307.06012	54.4
307.09299	2.3
308.06775	14.2
309.07520	15.9
310.08026	1.4
311.05362	2.4
313.07074	7.5
317.08142	3.4
318.08777	1.7
319.06046	9.1
319.09430	1.6
320.06781	5.5
321.03757	2.1
321.07523	32.3
321.11148	2.1
322.04810	1.6
322.08292	9.8
323.05588	1.6
323.09119	8.5
325.07050	53.3
329.08054	2.6
331.09674	2.3
332.06998	1.4
333.07504	17.0
334.08307	3.7
335.05310	2.5
335.09088	19.8
336.06277	2.3
337.07065	49.7
337.10550	2.4
338.07565	1.3
339.04987	1.8
339.08710	3.5
345.07449	9.5
346.08401	3.9
347.05316	1.8
347.09091	13.7
348.06659	1.3
349.07059	31.3
349.10678	1.9
350.07947	2.6
351.08643	21.5
355.08063	9.1
357.07642	3.1
359.09045	3.5
360.06061	1.5
361.07034	17.9
361.10965	1.6
363.08612	16.1
365.06326	1.4
365.10330	12.9
367.08102	8.3
371.09152	1.6
373.06873	12.0
374.07877	3.9
375.08688	17.4
377.10236	3.0
379.08096	54.3
385.07062	7.0
387.08905	5.6
389.10336	7.4
391.08090	53.6
392.08398	1.8
393.09515	3.5
397.09003	1.7
399.08545	2.6
401.10394	4.9
403.08099	22.7
405.09686	9.1
409.09183	35.4
415.08167	3.7
417.09619	1.9
419.11334	2.2
421.09189	33.8
427.10309	33.9
429.09470	5.0
433.09177	15.0
439.09619	1.6
445.11249	27.1
447.10532	1.9
451.10202	17.1
457.09201	9.8
463.10611	1.5
469.11285	19.3
475.10101	15.0
493.11285	40.7
496.10190	2.8
502.11240	7.0
511.12378	28.2
514.11206	8.5
520.12567	12.4
526.11072	3.0
529.13385	2.7
532.12402	22.9
538.13452	1.7
544.12317	21.8
550.12604	1.1
562.13440	44.8
563.13635	1.9
568.12469	1.4
580.13397	6.0
586.13757	1.4
598.13458	15.0
616.14404	31.6
634.15607	16.8
652.16498	16.1
670.26453	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	669.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.9
55.01819	1.0
57.03386	1.3
61.02871	1.0
67.05471	0.7
68.99737	1.0
69.03425	9.1
71.01307	0.4
71.04963	0.7
71.37027	0.6
73.02922	2.0
79.05438	0.4
79.38280	0.3
79.63344	0.3
81.03410	7.4
81.03864	0.3
81.06985	0.5
82.72849	0.3
85.02896	11.8
87.00830	4.0
87.04395	1.0
89.06040	1.7
89.06447	0.5
91.05429	0.5
93.07040	0.3
97.02876	4.0
97.90413	0.3
99.04449	3.1
101.02293	0.4
103.03885	0.8
105.01858	2.2
105.07025	3.3
107.04958	0.4
109.02872	5.7
117.03271	0.3
117.06970	0.5
123.04343	0.5
127.03912	7.7
129.01750	0.8
129.06926	0.5
131.08492	0.6
133.08514	1.2
135.04321	0.4
137.02278	0.8
143.08549	0.4
145.04971	1.6
147.04402	0.6
157.06421	0.7
159.02812	1.8
159.04208	0.6
177.11148	0.5
183.04469	0.4
185.05934	0.9
187.05959	0.8
189.05443	1.3
189.42387	0.3
202.07703	1.1
203.06989	0.5
207.11618	0.4
213.05496	1.6
217.10152	1.5
221.09465	0.5
225.12703	0.3
231.04628	0.4
231.06592	0.7
233.09567	0.5
245.09610	4.3
247.07516	0.5
248.08221	1.0
249.12712	0.6
261.09103	0.5
263.10617	0.9
273.09042	1.4
275.06989	0.9
276.07733	1.0
278.36713	0.3
291.10172	2.2
293.08133	0.5
295.06009	0.4
301.08603	1.0
301.14182	0.4
302.09634	0.3
305.07935	0.6
308.06711	0.7
310.04739	0.3
311.05469	9.4
318.08926	0.4
319.09607	9.9
320.09894	0.5
321.07568	0.5
323.05435	1.7
323.09094	2.0
325.07327	0.3
327.17099	0.7
329.08002	1.4
330.09186	0.3
335.05402	0.5
337.07092	0.6
337.10724	0.5
346.08432	1.4
347.09109	37.8
348.09338	1.1
349.07083	1.1
350.07739	1.9
353.10278	0.7
361.10703	0.4
364.09384	1.7
365.10159	79.3
366.10538	2.0
372.05563	0.3
389.10159	1.4
398.27960	0.4
405.21979	0.4
407.11276	3.0
421.16415	100.0
422.16760	2.9
451.65100	0.4
463.17474	1.1
509.14551	0.8
527.15387	0.9
569.16418	1.3
583.21777	9.1
607.22070	0.5
613.15411	2.3
625.22876	1.6
651.20459	2.0
669.21667	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	669.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	2.2
55.01832	1.5
55.61299	0.4
55.95192	0.4
57.03434	2.4
61.02909	2.2
67.05463	1.0
68.99750	1.7
69.03424	16.3
69.85877	2.4
71.01323	0.7
71.04984	2.1
73.02905	2.4
79.05447	1.0
81.03413	13.5
85.02899	21.7
87.00823	6.1
87.04461	0.7
88.42188	0.4
91.03917	0.5
91.05407	0.5
97.02895	6.9
99.04456	4.9
101.02342	0.7
102.04719	0.4
103.03926	2.6
105.01867	2.6
105.06990	0.6
107.04953	2.7
109.02876	10.1
109.03609	0.3
115.03965	0.5
115.05405	0.4
117.01810	0.6
117.06966	0.5
119.04913	0.7
121.02841	3.8
127.03914	13.8
129.01765	1.6
129.06987	0.6
131.04874	1.2
135.04379	1.9
143.08395	0.5
145.04955	3.1
159.02838	2.5
159.04350	1.1
159.08037	0.6
171.08000	0.8
187.03737	0.5
187.05983	0.6
187.07513	0.8
189.05438	1.0
193.10059	0.6
199.07474	0.5
199.34267	0.4
203.03307	0.4
208.08788	0.4
211.07478	1.1
213.05525	2.8
221.09654	0.5
224.04562	0.4
225.05530	1.1
225.08948	0.9
226.10019	0.4
229.04716	0.4
231.04799	0.9
232.08659	0.7
239.06920	0.7
239.10440	0.4
241.12216	0.4
244.08769	0.7
245.09532	0.9
253.08530	0.5
259.11136	0.6
263.10757	0.5
267.10043	1.4
273.09149	0.5
275.10501	0.7
287.10580	0.9
289.08679	0.5
293.08405	0.5
295.06100	3.6
295.09433	0.6
296.11777	0.6
301.08804	0.4
303.10013	2.5
305.07990	1.2
307.05975	1.7
307.09488	0.8
308.96671	0.4
309.07373	0.7
314.09244	0.9
315.10025	1.5
317.07950	1.1
318.08835	1.8
319.09750	2.1
320.06757	0.5
321.07666	2.5
321.11081	0.6
324.11316	0.6
327.10187	1.4
329.08212	0.6
331.05719	0.6
331.09644	10.5
332.10217	0.9
333.07434	1.7
333.11191	2.6
335.09039	1.4
337.10754	0.7
341.07861	0.7
341.11664	0.7
343.09595	4.4
343.13232	0.7
345.07513	1.1
345.11218	2.0
347.09131	3.3
348.09879	1.6
349.10672	19.1
355.09616	5.3
356.10358	0.7
357.11090	1.2
357.14868	0.6
359.09061	1.1
359.12833	1.5
361.10760	4.8
361.14774	0.6
363.12140	0.7
367.13297	2.3
369.11246	2.0
370.12103	1.9
371.12820	0.7
373.10855	2.4
375.12155	1.0
375.16064	1.5
385.14301	9.4
387.12125	1.5
388.13058	1.7
391.11877	1.1
402.14587	0.7
403.15390	100.0
404.15689	2.1
421.16431	70.2
422.16980	1.0
427.15515	1.7
445.16354	5.4
463.17453	0.8
487.17960	0.5
511.16608	0.5
565.20654	4.3
583.21698	6.2
597.15906	1.8
607.21704	26.6
608.21960	0.9
625.22754	1.0
633.19891	2.5
651.20660	72.1
652.20996	2.0
669.21619	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	669.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03738	0.2
53.03944	2.2
55.01868	1.3
55.05493	0.3
57.03438	2.2
57.27615	0.2
61.02919	2.0
67.05481	0.8
68.99786	1.7
69.03423	13.9
69.07035	0.9
69.30031	1.7
69.30454	0.9
71.01325	0.3
71.04977	1.3
73.02914	2.4
75.57494	0.2
79.05466	0.3
81.03412	10.2
81.07051	0.5
83.04974	0.3
85.02897	17.6
87.00819	5.5
87.04445	0.8
91.03935	0.4
91.05467	0.7
93.07031	0.8
95.08582	0.6
97.02883	6.2
98.21512	0.4
99.04449	3.5
101.02372	0.5
103.03929	1.9
105.01859	2.5
105.07058	0.6
107.04944	0.5
109.02867	8.3
109.10156	0.5
115.03913	0.5
115.05471	0.3
117.01836	0.5
119.04922	0.9
119.08545	0.3
121.02871	1.4
123.04408	0.4
127.03906	11.0
129.01848	1.8
137.06010	0.4
141.06996	0.2
143.08478	0.3
145.04932	2.5
147.02849	0.7
147.04434	0.4
157.06528	0.3
159.02878	2.0
167.07101	0.3
171.02832	0.4
173.06117	0.2
177.01819	0.4
185.05927	0.3
187.05983	1.3
189.03874	0.3
192.09653	0.2
195.02896	3.6
195.07935	0.3
197.05975	0.5
201.05400	0.4
207.08127	0.2
211.07544	0.7
213.03893	0.7
213.05637	0.4
220.08757	0.3
227.10408	0.2
229.04955	1.0
231.04976	0.9
239.07065	0.3
245.09587	0.5
248.08287	0.9
255.06436	0.3
263.10751	0.4
266.05661	0.3
267.06604	0.6
275.07193	0.2
276.07916	0.3
277.08490	0.2
279.06613	0.3
283.06000	1.4
291.10159	1.7
293.08194	0.6
293.11755	1.5
294.05258	0.5
295.05981	72.7
296.06354	0.9
301.08707	0.5
303.10336	0.3
304.07205	0.4
305.07941	0.8
307.06189	0.5
309.04132	0.5
309.07632	0.6
310.04706	0.3
311.05505	3.0
319.06036	1.2
319.09534	5.3
321.07605	0.4
321.11115	3.8
323.09109	1.9
325.07169	0.2
329.08041	3.1
331.06067	0.3
335.09149	1.1
335.12766	0.3
337.06982	5.9
337.10715	8.9
346.08115	0.3
347.09109	28.7
348.09711	0.7
349.06818	0.4
349.10571	0.6
351.12302	1.0
353.10071	0.3
361.06827	0.6
361.10889	0.6
363.12299	0.9
365.10159	5.9
366.10956	0.3
371.09113	0.4
375.15982	0.3
379.11615	0.8
389.09912	2.0
389.14429	0.3
390.14407	0.3
395.11066	0.3
401.13898	0.4
403.15427	3.7
407.11301	0.3
419.14767	0.3
420.15170	0.3
421.16412	100.0
422.16714	0.9
435.17593	0.3
445.16562	0.3
463.17566	1.6
565.20880	0.3
583.21790	9.0
607.21411	0.7
613.15656	1.5
625.22760	1.4
627.15204	0.3
651.20642	2.9
669.21454	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	669.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.2
51.02370	0.1
53.03931	0.7
55.01856	0.4
55.05507	0.3
57.03425	0.2
61.02905	0.3
62.97268	0.1
63.84609	0.1
67.05508	0.1
69.03421	1.7
69.07071	0.1
70.06567	0.2
71.04987	0.6
71.23918	0.1
72.08144	0.3
72.43115	0.1
73.02908	0.4
79.05484	0.3
81.03410	2.1
81.07066	0.3
83.01329	0.2
83.04957	0.3
85.02889	4.3
86.09712	0.1
91.03979	0.1
91.05466	0.3
92.22697	0.1
93.07016	0.2
95.04957	1.3
95.08609	0.3
97.02879	38.8
98.03232	0.3
98.09682	0.4
98.21523	0.3
99.04441	2.7
103.03926	3.7
105.03378	8.2
105.07014	0.3
107.04936	0.2
107.08563	0.2
109.02861	2.8
109.06523	0.2
109.10132	0.2
111.04436	0.2
114.89511	0.1
115.03896	0.4
119.04958	0.6
119.08550	0.2
121.02843	0.4
121.06533	0.2
122.38015	0.1
123.04460	0.2
127.03899	100.0
128.04230	0.7
133.10182	0.2
135.04449	0.1
137.02403	0.1
137.05928	0.2
139.03844	0.1
145.04948	3.7
147.04372	0.7
151.03889	0.2
163.03972	0.2
163.06015	1.2
163.07358	0.2
167.07013	0.4
169.04965	0.3
175.03880	0.5
175.14909	0.1
177.05470	0.4
181.04889	0.2
187.05959	0.5
195.02730	0.2
195.06541	0.1
201.05545	0.1
205.04919	0.2
207.06494	0.9
213.09222	0.1
219.06448	0.6
219.17540	0.1
223.05983	0.3
223.09709	0.1
237.07494	1.0
241.06868	0.1
253.06963	0.1
271.08124	1.1
283.05911	0.2
286.04752	0.3
289.09186	0.6
295.05972	1.3
301.06915	0.8
301.70309	0.1
307.06000	0.4
307.10202	0.4
309.03882	0.1
309.07462	0.2
313.06949	0.2
320.06665	0.2
321.07483	0.3
325.07050	0.2
333.07379	0.2
335.09207	0.2
337.07007	0.2
345.09570	0.2
349.07123	0.5
361.06821	0.5
375.08768	0.2
379.08102	0.6
381.11935	0.2
387.49484	0.1
391.08267	0.2
405.11725	0.1
409.09125	0.2
415.95117	0.1
433.07932	0.2
433.13434	3.3
445.09027	0.2
471.26868	0.2
475.10425	0.2
481.10950	0.1
489.28778	0.1
493.11331	0.3
501.11841	0.2
507.14734	0.1
507.29541	0.4
511.12234	0.1
519.12408	0.1
525.15918	0.3
531.12610	0.4
537.12561	0.2
549.13580	0.3
555.12872	0.1
573.13599	0.4
585.13525	0.2
597.13666	0.1
603.14685	0.3
615.14825	0.4
633.15802	0.6
651.17059	0.3
669.34991	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	669.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02374	1.1
53.03947	3.6
55.01864	0.5
55.05508	0.3
59.09499	0.2
61.02914	0.5
61.25935	0.2
66.67307	0.2
67.05485	0.5
68.99803	0.3
69.03070	0.2
69.03424	2.2
69.07058	0.3
69.59958	1.3
70.06586	0.5
71.04977	0.5
72.08152	0.5
77.03899	0.9
79.05489	0.6
81.03410	1.2
81.07050	0.8
83.04966	0.2
83.94469	0.2
84.04547	0.2
84.08150	0.5
85.02914	1.1
85.06542	0.4
86.09698	0.4
87.04488	0.2
88.04000	0.2
91.05475	0.9
93.07032	0.5
95.04964	10.8
95.08598	0.6
96.08124	0.2
96.48187	0.2
97.02880	1.5
97.06550	0.2
98.20679	0.4
99.04452	0.4
103.05472	0.3
105.03387	100.0
105.06998	0.5
106.03718	1.0
107.04981	0.4
107.08570	0.3
109.02836	0.8
109.10170	0.6
115.08646	0.2
117.09081	0.4
118.06538	0.3
119.04938	1.2
120.08080	0.3
121.02877	2.8
121.06474	0.3
121.10125	0.4
123.04420	0.8
123.08026	0.3
127.03907	2.7
131.04939	0.3
131.08600	0.5
133.06462	0.3
133.10144	0.4
133.35588	0.2
134.03670	0.5
135.04436	0.4
137.02357	0.3
137.05969	0.9
138.05525	0.2
140.07094	0.2
145.02859	0.6
145.04944	0.3
147.04424	1.6
147.11816	0.2
149.09610	0.3
151.03958	0.4
153.01799	1.0
159.04427	0.3
159.11650	0.3
161.02278	0.3
161.05981	0.3
163.03915	0.3
163.07518	0.4
164.30208	0.2
167.03304	0.2
167.07054	1.1
171.02960	0.3
171.04337	0.3
171.08002	0.2
173.06090	0.2
175.03899	0.9
175.14813	0.2
177.05447	0.4
181.05058	0.2
189.01822	0.5
189.05492	0.6
191.03409	0.4
195.02957	0.3
199.03891	0.3
201.05525	0.2
201.12422	0.2
203.03371	0.9
205.04955	0.2
207.02864	1.0
207.06491	1.8
215.03424	0.3
217.04987	0.5
219.02869	0.6
219.06512	1.0
221.04451	0.3
229.05000	0.4
230.05769	0.2
231.02991	0.3
231.06471	0.4
231.17545	0.2
237.07509	1.0
241.08635	0.3
245.04385	0.5
249.07574	0.5
255.06584	1.3
267.05911	0.3
267.08667	4.9
270.05222	0.4
271.06131	0.3
279.06677	0.3
280.51120	0.2
281.08063	0.4
283.05777	0.9
285.03888	0.5
285.07605	1.0
286.04724	2.2
286.07666	0.4
291.06635	0.3
294.05240	1.7
295.05984	2.0
301.07065	11.5
302.07080	0.2
307.05978	5.3
307.09467	0.4
308.06714	1.1
309.07401	1.0
313.07147	1.0
317.08215	0.2
319.06012	1.1
319.09381	0.2
320.06772	0.3
321.07538	2.4
325.07028	0.8
329.08066	0.4
333.07578	2.1
334.08014	0.2
335.09106	1.7
337.07050	6.7
345.07556	1.9
347.09131	0.5
349.06992	2.1
350.07593	0.2
351.08539	0.4
359.09103	0.2
361.07071	2.3
363.08554	1.0
367.08170	0.7
371.09241	0.3
373.07034	2.2
375.08890	0.4
379.08121	0.8
391.08081	5.3
391.12991	0.4
400.04129	0.2
403.08044	0.7
409.09482	0.4
417.10568	0.2
421.09247	0.2
427.10336	0.6
429.09756	2.8
439.10403	0.3
441.09753	2.0
451.10223	0.2
457.10944	0.3
459.10715	4.1
467.11179	0.2
481.11188	0.4
483.10760	6.8
493.11258	0.6
495.10422	0.9
511.12695	0.9
513.11835	12.0
514.12018	0.4
519.12927	0.9
525.12170	0.5
531.12842	7.8
532.13184	0.4
543.12836	0.4
549.13904	3.5
561.13989	1.2
573.13861	0.8
579.14758	2.8
585.13684	0.3
600.30487	0.2
603.14978	5.6
604.15332	0.3
615.14850	0.8
633.16028	5.4
651.17133	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	669.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02365	0.8
53.03699	0.2
53.03939	3.3
55.01856	0.7
55.05500	0.2
61.02908	0.2
65.03941	0.2
67.05507	0.1
69.03424	2.3
69.07050	0.2
69.40804	0.9
69.41222	0.2
70.06573	0.3
70.64832	0.1
71.04960	0.2
72.08141	0.2
73.02899	0.1
75.19897	0.1
77.03900	1.1
79.05481	0.4
80.93287	0.1
81.03416	0.8
81.07043	0.4
83.08590	0.1
84.08128	0.2
85.02883	0.8
86.09682	0.1
91.05466	0.9
93.07034	0.3
95.04956	10.1
95.08595	0.3
97.02873	0.8
97.06509	0.2
99.04425	0.2
103.03926	0.2
105.03378	100.0
106.03093	0.2
106.03720	1.2
107.04945	0.2
107.08595	0.2
109.02862	0.5
109.06544	0.1
109.10140	0.2
117.06973	0.1
119.04941	1.5
119.08585	0.4
121.02856	2.6
121.06380	0.1
121.10192	0.2
123.04420	0.5
123.08017	0.1
123.11710	0.1
125.09615	0.1
127.03897	2.2
128.04276	0.1
129.06898	0.1
133.10123	0.1
135.04391	0.2
135.11668	0.1
137.05904	0.2
145.02873	0.6
145.04947	0.2
145.10123	0.2
147.04385	1.4
147.11652	0.2
147.31139	0.1
151.03897	0.2
153.01796	0.4
159.04428	0.1
161.05963	0.2
161.09631	0.1
167.07028	0.6
171.04393	0.2
173.06010	0.2
175.03886	2.0
177.05438	0.2
181.04958	0.1
187.03909	0.2
189.01706	0.6
189.05443	0.9
191.03374	0.3
191.10645	0.1
193.04979	0.2
195.02840	0.3
196.12234	0.1
197.06029	0.1
201.05476	0.2
203.03267	0.6
205.04968	0.3
207.02870	0.4
207.06496	4.3
215.03374	0.3
217.05006	0.4
219.02878	0.3
227.03516	0.2
229.04936	0.2
230.05739	0.1
231.02846	0.2
231.06526	0.4
233.04359	0.3
235.73834	0.1
241.04921	0.3
241.08672	0.2
243.02791	0.2
245.04460	0.3
249.07544	0.4
255.03046	0.2
255.06438	0.6
261.03915	0.2
267.08621	5.8
269.04404	0.4
273.03946	0.3
273.07483	0.2
275.08203	0.2
279.06516	0.1
281.08182	0.3
283.05881	0.6
285.07587	0.4
286.04651	0.5
291.06659	0.2
293.08051	0.2
294.05264	1.3
295.05963	2.3
296.06726	0.2
297.07407	0.1
301.07022	2.8
305.08047	0.2
307.05957	4.7
308.06689	0.9
309.07407	0.9
313.07144	0.5
317.08099	0.3
319.05978	1.0
320.06845	0.2
321.07510	2.5
321.11102	0.2
322.08154	0.1
325.07111	0.5
329.08084	0.6
331.06259	0.2
333.07535	2.8
333.11404	0.1
334.08005	0.2
335.05429	0.1
335.09116	1.6
337.07022	5.7
338.07333	0.2
339.08914	0.2
345.07492	2.0
346.08041	0.1
347.09067	0.4
349.07013	2.5
349.11264	0.1
351.10791	0.2
353.10059	0.2
361.07013	2.8
361.10474	0.1
363.08633	1.1
367.08142	0.6
369.11819	0.2
371.09241	0.2
373.07013	2.4
373.11624	0.2
375.08551	0.3
379.08136	0.8
384.08844	0.1
385.09058	0.3
387.08524	0.2
391.08069	5.4
392.08350	0.2
401.10410	0.1
403.08032	0.8
409.09311	0.4
415.08096	0.3
417.09961	0.2
421.09113	0.2
427.10529	0.8
429.09683	2.7
433.09122	0.3
439.10330	0.2
441.09702	1.7
445.09250	0.2
455.11276	0.3
457.10645	0.1
459.10727	3.2
463.10391	0.2
465.10202	0.2
467.11581	0.2
481.11215	0.4
483.10675	6.8
484.11002	0.2
493.11234	0.4
495.10452	0.8
511.12408	0.8
513.11755	12.3
514.12195	0.3
531.12817	9.2
532.13422	0.3
537.13837	0.2
549.13885	4.3
550.14227	0.2
561.13776	0.5
567.13080	0.1
579.14911	3.0
585.13672	0.6
597.14105	0.2
603.14899	8.4
604.15057	0.4
615.14728	0.7
633.15942	6.0
634.16125	0.3
651.16962	2.7
669.17053	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	669.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
51.02367	1.4
51.02579	0.3
53.03945	4.8
55.01856	0.6
61.02914	0.5
65.03938	0.3
69.03423	1.4
70.25433	0.6
70.25810	1.3
73.02937	0.3
77.03918	1.3
79.05489	0.4
81.03416	0.9
81.07034	0.3
82.48283	0.3
83.50436	0.3
85.02911	0.3
91.05479	2.0
95.04960	13.7
97.02885	0.7
105.03381	100.0
105.04530	2.8
106.03709	1.2
107.04986	0.4
109.02890	0.5
109.11446	0.3
119.04923	3.9
121.02863	5.6
123.04424	0.7
124.99840	0.3
127.03909	1.3
145.02850	0.7
145.04881	0.3
147.04390	2.4
151.03983	0.4
155.48431	0.3
163.03807	0.5
175.03876	4.1
179.03514	0.5
187.03918	0.4
189.01768	1.4
189.05482	1.1
191.03409	1.7
195.02850	0.4
203.03401	0.6
205.05011	0.4
207.02948	1.9
207.06525	5.8
209.04469	0.7
215.03429	0.6
217.04979	0.6
219.02969	1.5
221.04430	0.6
229.04977	0.4
231.02930	0.5
231.06441	0.4
233.04478	0.6
245.04393	0.5
249.07716	0.4
255.02869	0.5
265.08636	0.3
267.05975	0.4
267.08682	6.9
268.07214	0.8
273.03958	0.5
279.06412	1.5
280.07156	0.4
281.08075	1.1
283.06052	0.8
291.06326	0.4
293.07999	0.4
294.05301	2.6
295.05988	8.7
295.09317	0.5
296.06454	0.7
297.07535	0.9
301.06879	0.5
307.05991	13.0
308.06708	3.6
309.07516	6.9
310.08179	0.6
313.07037	1.3
317.08182	0.4
319.05978	2.3
321.07516	4.9
323.05255	0.5
323.08932	0.5
325.06982	4.2
333.07556	1.6
335.05548	0.7
335.09158	1.1
337.07028	15.0
338.07532	0.6
339.08615	0.7
343.08224	1.3
345.07471	1.0
347.09164	0.5
349.07047	3.0
350.07489	0.4
351.08411	1.6
355.08142	0.4
361.07071	3.9
362.07544	0.4
363.08322	1.6
367.08087	2.7
373.07013	1.5
375.08749	0.6
379.08188	3.4
381.09534	0.4
391.08069	8.5
395.09055	0.4
397.09201	1.0
399.10794	2.9
400.16171	0.3
403.08865	0.7
405.09607	0.6
409.09137	6.2
413.09875	0.4
417.09860	0.4
421.09116	0.8
427.10208	43.2
428.10287	1.5
431.04266	0.3
433.09073	1.5
439.10532	0.8
445.09674	0.6
451.10223	2.4
456.12601	0.4
457.11151	1.8
459.10709	2.5
463.10437	0.9
469.11212	2.6
481.11157	0.9
483.11127	0.5
493.11322	1.4
503.13474	0.5
511.12357	1.2
513.11462	0.5
529.13336	2.3
531.05115	0.5
531.12823	7.7
532.12958	0.6
537.12579	0.4
547.08118	0.3
547.14600	2.8
549.13873	12.9
550.14221	0.7
561.14050	0.5
579.14764	5.8
633.15942	0.6
651.16919	3.1
652.16565	0.4
669.18036	9.0
669.36920	0.3
670.18671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.5
51.02378	1.0
53.03695	0.2
53.03941	3.5
55.01873	0.4
57.03424	0.3
57.96520	0.1
61.02910	0.4
65.03922	0.3
66.89309	0.1
67.05489	0.4
68.99792	0.3
69.03415	0.8
69.55397	1.3
70.06598	0.3
75.07230	0.1
77.03902	1.4
79.05480	0.4
81.03413	0.9
81.07059	0.3
85.02891	0.7
91.05476	0.5
91.19721	0.2
93.03373	0.2
93.07047	0.2
95.04955	12.9
95.08595	0.3
96.05296	0.1
97.02885	2.1
97.06508	0.1
98.20692	0.2
103.03935	0.3
103.05473	0.1
105.03378	100.0
106.03723	1.1
107.04937	0.4
109.02863	0.4
109.10170	0.4
111.04427	0.2
118.06537	0.2
119.04933	1.4
119.08565	0.2
121.02854	5.6
121.06538	0.2
123.04404	0.7
127.03921	0.8
131.04881	0.3
133.06488	0.2
135.04439	0.2
137.05919	0.3
145.02838	0.8
145.10139	0.2
147.04350	0.9
149.02309	0.2
151.03940	0.3
159.04329	0.3
161.06012	0.2
163.03943	0.8
167.07002	0.5
171.04324	0.2
173.02298	0.2
175.03891	0.4
177.05518	0.4
179.03371	0.3
181.04916	0.5
187.03879	0.4
189.01787	1.0
189.05463	2.0
191.03366	2.1
193.05014	0.2
195.02905	0.7
197.06149	0.2
201.01802	0.2
201.05518	0.2
203.03317	1.1
205.04982	0.5
207.02844	1.7
207.06465	0.4
209.04427	1.1
213.05571	0.2
215.03339	0.7
217.04851	0.3
219.02971	2.1
219.06470	4.2
219.08513	0.3
220.55391	0.2
221.04517	0.4
229.04950	0.2
231.02864	0.3
233.04396	0.3
237.03844	0.4
237.07533	9.2
243.02908	0.4
245.04407	0.4
251.06960	0.4
253.05136	0.2
261.03894	0.2
263.07077	0.3
267.06433	0.4
267.08945	0.3
268.07233	0.5
269.04370	0.2
269.08026	0.2
271.05957	0.2
273.03897	0.2
279.06503	1.3
280.07150	0.3
281.07968	0.9
282.05252	0.2
283.05933	0.8
284.06613	0.3
285.03946	0.2
291.06436	0.3
292.07373	0.5
293.07932	0.4
294.05133	2.3
295.05972	6.4
296.06613	0.5
297.07571	0.7
301.07092	0.2
305.08035	0.4
307.05957	12.1
308.06702	3.6
309.04184	0.3
309.07507	7.8
310.07809	0.3
311.05478	0.3
313.07001	1.6
317.07892	0.3
319.05960	2.2
319.09448	0.1
320.06686	0.6
321.07532	3.8
322.04782	0.2
322.08362	0.6
323.05463	0.4
323.09225	0.4
325.07031	4.0
329.08060	0.3
332.06836	0.3
333.07553	2.5
334.08337	0.3
335.05392	0.7
335.09155	0.9
336.06079	0.3
337.07010	21.4
338.07410	0.8
339.08652	0.5
345.07458	0.8
347.05301	0.3
347.09076	2.2
348.06073	0.2
349.07019	3.4
351.08569	2.2
355.08185	0.2
357.07233	0.2
361.06995	3.9
361.11154	0.3
362.07407	0.3
363.08582	1.7
364.09048	0.2
365.06354	0.3
367.08047	1.5
373.06952	0.9
375.08560	1.4
379.08051	5.5
380.08322	0.3
387.08670	0.4
389.10327	0.3
391.08075	5.1
392.08337	0.2
393.09460	0.3
397.09128	0.8
399.08557	0.2
401.10229	0.2
403.08078	2.7
409.09067	2.5
413.10101	0.6
415.09152	1.0
417.09644	0.6
421.09109	3.0
427.10248	4.4
428.10510	0.2
429.11987	0.7
433.10965	0.9
439.10181	5.4
440.10403	0.2
441.09848	0.5
445.09042	1.2
451.10123	0.4
457.11243	12.7
458.11746	0.3
459.10730	3.9
463.10086	1.4
469.11206	0.6
475.10153	1.0
481.11240	6.2
482.11832	0.2
483.10715	0.4
492.18347	0.2
493.11200	1.7
499.12225	1.4
507.11972	0.2
511.12366	3.0
513.11914	0.8
529.13422	2.8
531.12653	1.9
543.12610	0.4
547.14453	2.7
549.13885	10.5
550.14160	0.4
561.13873	8.5
562.14038	0.5
579.14880	3.9
597.13251	0.2
603.14783	0.6
615.14386	0.3
633.16125	0.9
651.17139	3.6
669.18024	3.7
669.36389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17908	1.5
53.03939	6.0
55.01865	1.8
55.05506	15.4
56.47501	1.8
57.03418	5.9
57.07072	36.9
67.05497	28.2
69.03428	16.1
69.07064	10.4
70.94752	3.3
70.95163	3.0
71.04978	4.6
71.08626	25.0
79.05492	17.9
81.03413	76.2
81.07052	35.6
83.04980	10.4
83.08613	18.3
85.02895	11.8
85.10167	14.1
91.05477	17.2
93.07034	10.3
95.04956	15.3
95.08596	27.0
97.02892	21.2
97.06530	2.4
97.10149	6.9
97.26506	1.6
98.20779	1.5
99.04449	6.4
105.07011	13.0
107.04960	6.1
107.08591	8.0
109.02874	15.1
109.06531	5.5
109.10139	12.0
111.04442	8.6
111.08092	6.0
115.05477	1.7
117.07021	3.1
119.08543	11.5
121.10155	7.3
122.57730	1.6
123.04479	2.6
123.11702	6.0
127.03913	9.8
129.06999	8.4
131.08586	5.6
133.06464	3.0
133.10141	6.5
145.04997	2.1
145.10106	3.7
147.08081	2.1
147.11668	11.5
149.09625	3.3
151.82518	1.7
157.10141	9.1
163.11214	4.7
165.12766	4.8
173.04521	3.1
175.11191	9.4
181.12236	1.8
191.10658	3.2
192.74759	1.5
193.12248	22.4
211.13278	38.9
235.13297	2.3
239.23648	7.6
249.15002	2.1
267.15891	13.3
273.14948	4.3
285.16940	3.2
301.14291	3.7
313.27313	28.2
319.15408	3.1
337.16507	5.0
355.17508	8.4
375.18094	2.7
383.27948	2.2
393.19833	2.4
411.19928	10.7
505.38974	5.5
523.39899	13.7
575.22772	2.6
635.25116	2.0
667.44153	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	667.1866
Annotation	Naringin 6''-malonate
Peak:m/z	Relative Intensity
53.03936	2.8
55.01867	2.7
55.05507	3.0
55.31144	0.7
57.03431	5.4
61.02914	2.2
65.03903	1.0
67.01858	4.5
67.05513	1.9
68.99795	3.1
69.03425	14.9
69.07065	1.7
70.06588	1.3
71.01355	0.9
71.04988	25.2
71.06734	2.1
72.08150	1.8
73.02930	2.6
75.04474	1.4
79.05482	2.1
81.03413	12.4
81.07053	2.5
83.01335	1.0
83.04967	8.2
84.08144	1.4
85.02898	55.7
85.06530	1.0
86.06100	0.8
87.00814	7.7
87.04453	1.0
89.06039	6.8
91.03930	0.8
91.05472	3.0
93.07046	1.9
95.04979	3.6
95.08627	1.8
97.02885	12.7
97.06520	0.8
99.04433	4.8
101.02351	0.7
103.03944	3.0
105.01863	9.5
105.07033	2.3
107.04925	3.9
107.08584	2.1
109.02869	14.6
109.06504	1.7
109.10145	1.6
111.04427	11.0
111.08070	1.0
113.02357	0.9
113.06005	1.1
115.03908	1.0
117.05460	1.1
119.04926	5.9
119.08540	1.8
121.02856	2.0
121.06495	3.3
121.10105	1.8
123.04414	5.1
125.02360	2.3
126.03601	0.9
127.03907	28.1
128.04257	0.8
129.01810	2.9
129.05453	9.3
131.08545	0.8
131.53754	0.8
133.06471	1.0
133.10117	1.8
135.04388	2.6
135.11659	0.9
137.02315	1.4
137.05974	2.3
138.05496	1.2
139.03888	1.3
140.07155	0.8
145.04939	7.2
145.10100	1.3
147.02908	1.9
147.04391	23.4
147.06569	1.2
149.05965	1.7
151.03909	2.9
153.01813	72.8
154.02170	1.4
159.02878	2.5
161.05959	1.3
161.09546	1.2
163.03850	1.7
163.07565	1.1
165.01857	1.5
167.03391	0.9
167.07027	5.4
169.04985	1.0
171.02876	50.2
173.04501	1.7
173.05905	0.8
175.03899	2.3
175.73570	0.7
177.01901	1.0
177.05397	1.5
179.03386	3.0
181.04919	2.2
189.03944	3.9
189.05440	1.0
191.03415	2.4
193.04878	1.2
195.02875	8.4
195.06586	1.3
207.06473	1.9
213.03963	2.8
219.02853	3.7
231.04860	4.4
231.08556	1.2
237.07568	3.0
241.08649	0.9
245.04414	2.5
247.49811	0.8
255.06516	4.9
255.08754	2.4
261.03879	2.1
263.05423	1.0
271.05988	0.9
273.07556	100.0
274.07867	3.9
285.07626	2.1
297.07626	1.7
301.07135	0.9
309.07706	0.9
315.08630	3.4
321.07434	1.6
322.43271	1.0
337.07062	2.4
338.07816	9.9
339.08572	3.3
341.08679	1.4
345.56995	0.9
353.10162	24.0
359.09503	1.5
371.11224	19.5
371.15613	1.4
375.22778	1.2
377.10992	1.3
381.09525	1.9
383.11023	2.2
389.12280	42.0
390.12643	1.6
401.12228	1.6
411.79333	0.8
520.04840	0.8
667.22382	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	665.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.9
55.05503	6.5
56.05015	0.5
57.03393	1.1
58.06559	1.3
59.04996	12.6
61.02884	2.1
65.03911	0.9
66.73782	0.5
67.05466	1.4
69.03426	5.3
70.06584	2.7
70.06877	0.5
70.98103	1.7
71.04947	1.0
72.08154	4.5
73.02892	1.2
79.05438	1.8
81.03410	3.4
81.07065	2.4
83.04977	14.3
83.08575	0.7
84.04474	0.7
84.08119	2.8
85.02897	15.2
85.06506	1.1
86.06026	0.6
86.09679	1.6
91.03918	0.5
91.05421	2.0
93.03401	0.7
93.06994	1.5
94.06551	2.9
95.04910	2.1
95.08564	1.9
97.02887	5.0
98.05993	1.0
98.09641	0.6
99.04401	1.9
100.07565	1.1
101.02280	0.5
101.05973	1.0
103.03886	0.8
105.03357	0.7
105.06985	2.3
107.04918	2.3
107.08591	2.6
109.02863	6.6
109.06473	1.2
109.10114	1.5
110.02372	0.5
110.05982	1.2
110.07056	0.7
111.04406	1.1
113.69848	0.5
117.03297	0.5
117.06983	0.6
119.04939	5.7
119.08526	1.7
121.02860	18.9
121.06516	0.7
121.10081	1.7
123.04374	1.7
123.07999	0.9
124.07539	0.6
125.05972	0.9
127.03902	13.4
129.10196	0.7
131.04878	0.7
131.08513	0.6
133.02847	0.7
133.06474	1.0
133.10049	1.4
135.04391	0.5
135.08009	0.7
137.05925	2.3
138.05496	12.0
139.03862	0.6
139.05859	3.7
145.02869	3.3
145.04909	2.0
145.10056	0.6
147.04391	8.0
147.11670	1.1
148.04788	0.8
149.05869	0.6
149.13222	0.6
151.03810	0.9
151.07520	0.7
153.05431	0.6
159.11655	0.6
161.02299	1.0
161.05916	1.3
163.03897	2.5
163.07396	0.7
167.07022	9.0
169.04968	0.8
173.02342	0.7
173.05951	1.1
175.03845	1.6
177.01837	0.7
177.05424	2.0
177.09064	0.7
179.03358	1.2
181.04942	3.4
185.05872	0.7
187.03900	1.0
187.05960	1.3
187.07539	0.6
189.01852	3.5
189.05411	0.9
191.03375	6.0
191.07019	0.9
193.04929	1.1
195.02811	1.7
195.10098	1.2
199.03859	1.4
201.01837	1.3
201.05424	0.8
203.03358	2.8
205.04961	1.5
205.07022	9.6
207.02884	6.1
207.06483	0.8
209.04398	2.1
209.07904	0.8
211.07484	0.7
215.03304	1.2
217.04950	2.0
218.11766	0.7
219.02864	7.9
221.04349	1.8
225.03758	0.8
227.03391	1.0
227.09035	1.0
229.04843	1.5
231.02823	1.3
233.04436	1.2
239.06981	0.8
241.04863	0.7
243.02858	0.6
245.04434	0.9
245.10165	3.5
251.07047	0.7
252.07683	0.7
252.10213	0.6
255.06497	1.2
261.03925	0.9
263.07123	0.6
263.11252	5.5
267.06473	2.3
268.07227	3.0
269.07965	0.7
271.05981	1.2
273.03836	1.3
273.07181	0.5
277.15335	0.8
279.06503	3.3
280.07281	2.6
281.08118	7.8
283.06015	3.3
284.06741	2.3
291.06512	2.2
292.07416	0.8
293.08035	2.7
294.05212	24.6
295.05981	27.0
296.06711	2.8
297.07593	4.9
298.08301	0.8
305.07895	0.7
306.08777	0.7
307.05972	52.9
308.06738	17.0
309.07526	29.6
310.08008	1.1
313.06970	6.9
317.08011	1.3
319.06030	11.2
320.06735	3.0
321.07535	12.7
322.08325	2.5
323.05469	1.2
323.09109	1.8
325.07031	27.2
326.07251	0.8
329.08112	0.7
332.06445	0.6
333.07596	6.0
334.08337	1.3
335.05396	2.1
335.09067	6.9
336.06094	2.0
337.07022	100.0
338.07352	3.3
339.08578	6.1
345.07410	3.3
347.05197	1.3
347.09119	4.3
348.09647	2.6
349.07001	12.0
349.10806	0.7
350.07718	0.8
351.08542	6.9
353.06500	1.1
355.08105	17.1
357.09540	0.9
359.08932	0.6
361.07056	8.4
363.08578	8.7
365.06311	0.9
365.10223	6.3
366.10541	9.1
367.08014	11.3
373.06958	3.3
375.08917	2.3
377.10175	1.2
379.08105	27.9
381.09808	0.7
385.09131	0.8
387.08893	0.7
391.08072	37.3
392.08719	0.6
393.09839	0.6
397.08929	3.9
399.10590	6.5
403.08615	3.6
405.09619	0.8
408.11893	0.6
409.09113	21.9
411.10495	1.3
413.30347	1.2
415.08401	0.6
415.10770	0.6
417.09662	0.8
417.15268	0.9
421.09076	3.2
427.10214	98.9
428.10712	2.6
431.31403	1.2
433.09048	3.4
437.12064	2.0
439.10098	2.2
445.11292	17.2
449.32761	1.1
451.10156	4.6
455.13333	7.3
456.14542	1.1
457.09790	3.5
457.15549	1.6
459.16522	0.6
463.10217	1.1
469.11249	10.2
470.12268	0.8
475.10406	1.7
481.11230	2.8
485.14157	0.7
487.12366	3.8
493.11237	3.8
499.12186	1.3
502.14902	2.8
503.15292	12.7
509.14172	5.6
511.12354	4.0
517.13208	0.7
527.15479	18.2
528.15973	0.9
529.13373	7.8
533.16565	1.7
539.15503	0.8
545.16504	35.0
547.14349	10.6
557.16418	4.1
575.17542	27.9
576.17682	0.7
611.17633	1.4
629.18561	3.9
647.19531	13.1
665.20508	65.5
666.21069	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	665.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
54.66835	0.6
55.01830	2.3
55.05507	7.5
57.03392	1.6
58.06581	0.7
59.04998	15.8
61.02882	1.9
65.03928	1.2
65.31238	0.6
67.05463	2.0
69.03420	5.9
69.07020	0.6
69.59299	0.6
70.06587	4.2
71.04959	1.4
72.08156	9.3
73.02869	1.7
79.05453	1.0
81.03416	3.7
81.07018	1.9
83.04977	16.1
84.04454	0.8
84.08146	4.7
85.02900	22.4
85.06492	1.0
86.09663	3.0
87.04438	0.7
91.05483	4.0
93.06996	1.8
95.04961	3.3
95.08569	1.3
97.02892	9.4
97.06499	1.3
98.09629	0.9
99.04406	1.8
100.07552	0.7
101.06005	1.5
103.03902	1.1
103.05396	1.3
105.03339	1.3
105.06989	2.9
107.04961	3.1
107.08530	2.0
108.34438	0.6
109.02866	5.8
109.06461	1.1
109.10123	1.3
110.02345	1.2
110.06017	0.8
110.07124	0.7
111.04405	1.1
111.08074	0.7
114.10271	1.4
115.03903	1.3
119.04922	6.3
119.08516	1.2
120.08089	0.9
120.44196	0.6
121.01997	1.1
121.02858	22.7
121.10154	0.8
123.04394	0.9
123.08018	1.1
123.11679	0.7
127.03081	1.1
127.03912	13.7
131.04924	1.6
133.06458	1.0
133.10069	1.9
135.04372	1.1
135.08000	0.8
136.07523	1.0
137.05975	3.2
140.07011	0.7
145.02803	4.5
145.04887	2.0
145.06435	0.8
147.03343	1.1
147.04391	11.2
147.11589	1.1
148.04741	1.2
149.05971	1.6
151.07472	1.3
152.07021	1.1
157.04878	1.8
157.06256	0.6
159.11743	0.6
161.05940	2.0
163.03870	2.5
163.07478	1.0
167.07043	11.6
168.07413	0.8
173.02280	0.8
175.03859	1.7
175.06067	4.6
175.14822	0.8
175.56416	0.7
177.01871	0.8
177.05412	2.2
179.03369	1.9
179.07082	0.9
181.04980	1.6
185.05995	0.7
187.03865	1.4
189.01823	4.7
189.05360	0.7
191.03371	7.0
191.06949	1.3
194.02065	0.8
195.02881	1.1
197.11728	1.0
201.01810	0.8
201.05421	1.5
203.03394	3.8
205.05075	1.2
205.07013	10.0
207.02885	6.9
207.06535	1.5
209.04404	3.5
209.15396	0.6
215.03345	1.8
215.06998	0.7
217.04938	2.1
218.11650	1.0
219.02919	8.2
221.04393	1.5
223.02446	0.7
227.03197	1.1
229.05063	1.1
229.68120	0.9
231.02832	1.8
233.04387	1.1
233.08163	0.8
233.10156	4.7
237.03860	1.1
245.04501	1.6
245.10194	2.5
251.06787	0.8
255.02844	0.8
255.06468	4.2
261.03842	0.9
263.11288	5.4
267.06500	2.7
268.07248	3.1
269.07977	0.9
271.05945	2.0
273.03867	1.9
279.06564	5.2
280.07230	2.5
281.08105	7.5
282.05231	1.4
283.05972	4.4
284.06741	1.6
291.06418	2.6
292.07248	1.6
293.08011	1.8
294.05203	26.9
294.08490	1.0
295.05991	33.5
296.06473	3.5
297.07465	6.5
305.08066	1.3
307.05988	60.4
308.06729	16.4
309.07547	28.8
310.07990	1.8
311.08701	1.1
313.07004	6.3
317.08090	1.3
319.05978	11.4
320.06729	3.0
321.07587	17.2
322.04715	0.8
322.08218	2.9
323.05472	1.8
323.09082	2.4
325.07031	28.9
327.08475	6.3
329.07962	1.6
332.06799	1.1
333.07571	7.7
334.08456	1.5
335.05389	1.6
335.09085	5.5
336.06290	2.9
337.07037	100.0
338.07309	2.6
339.08612	4.1
345.07370	3.6
347.09293	3.8
349.07025	15.1
350.07880	1.7
351.08612	9.7
353.06598	2.1
355.03653	1.2
355.08105	17.5
361.07047	11.9
362.07648	1.2
363.08545	9.3
365.10297	1.4
367.08127	13.6
373.07190	3.1
375.08685	4.2
377.10107	1.4
379.08087	33.2
380.08524	1.4
385.09454	1.4
387.08899	1.2
391.08069	40.8
392.08319	1.2
393.09869	1.2
397.09122	4.2
399.10635	6.3
401.10135	1.0
403.07870	4.6
405.09744	1.3
409.09143	22.0
413.30182	1.0
415.09137	2.0
417.15808	0.9
421.09216	6.6
427.10211	94.2
428.10629	3.0
429.10251	0.9
433.09280	3.1
437.12308	1.3
439.10223	5.4
440.10327	0.9
445.11298	15.3
451.10007	3.2
455.13269	8.0
457.11258	19.1
463.10403	1.2
469.11319	8.4
475.11133	2.5
481.11130	4.9
487.12457	3.5
493.11368	4.3
499.12671	3.8
503.11636	1.5
509.14569	4.7
511.12338	9.0
515.15503	0.8
527.15466	16.5
529.13367	9.8
533.16309	2.3
539.15448	2.4
545.16516	52.3
546.17163	2.1
547.14508	13.8
557.16846	6.7
575.17523	25.4
576.18036	0.9
589.15857	1.1
593.16638	1.5
607.16962	0.8
611.16949	2.0
629.18616	4.8
647.19531	16.9
647.29767	1.3
648.21167	0.8
665.20685	41.7
665.31177	3.5
666.20917	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	665.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
53.07209	0.1
55.01865	0.4
55.05487	0.5
57.03423	0.2
57.07052	0.1
58.06577	0.3
61.02898	0.2
65.03937	0.2
67.01878	0.1
67.05492	0.8
68.99770	0.4
69.03424	1.2
69.07062	0.6
70.06592	0.8
71.04964	0.4
71.61812	0.2
72.08131	0.4
73.02909	0.2
79.05462	0.5
81.03412	1.2
81.07054	1.3
83.04960	0.4
83.08600	0.2
84.08119	0.4
85.02898	1.6
85.06519	0.5
86.06055	0.2
86.09649	0.2
87.00787	0.2
91.05469	1.3
93.07030	0.9
95.04945	0.6
95.08595	0.9
97.02876	1.1
97.06505	0.3
98.06013	0.1
99.04438	0.5
101.05927	0.1
103.03911	0.2
103.05447	2.0
105.03377	0.3
105.07022	0.8
107.04922	0.5
107.08576	0.7
108.08898	0.1
109.02866	1.4
109.06490	0.4
109.10155	0.6
111.04439	0.2
112.07593	0.2
114.09172	0.1
115.03925	0.1
115.05400	0.2
117.03355	0.2
117.07004	0.2
119.04919	1.1
119.08553	0.5
121.02844	0.5
121.06476	0.2
121.10115	0.7
122.05997	0.1
123.04440	0.9
123.08077	0.2
123.11728	0.3
125.09637	0.3
127.03894	1.8
128.06168	0.3
129.01848	0.2
129.05507	0.2
129.07016	0.6
131.04912	4.3
131.08572	0.4
133.02846	0.4
133.06485	0.2
133.10106	0.5
135.04372	0.2
135.08014	0.2
135.11725	0.1
136.07547	0.1
137.02319	3.9
137.05957	0.7
137.09560	0.2
138.05434	0.2
139.03886	0.2
139.98999	0.1
140.07051	0.4
141.06970	0.2
143.08548	0.6
145.02850	0.9
145.04900	0.3
145.06442	0.3
145.10081	0.4
147.04390	1.5
147.08054	0.2
147.11630	0.3
148.04729	0.2
149.02344	0.4
149.05975	0.3
149.09610	0.3
149.13272	0.1
151.03821	0.2
151.07510	0.3
151.11191	0.2
152.06097	0.2
153.01805	0.7
153.05504	0.3
153.06931	0.6
155.08482	0.2
157.06470	0.6
157.10072	0.3
158.00052	0.3
159.00325	0.2
159.08066	0.2
159.11670	0.3
161.05922	0.3
161.09618	0.2
161.13234	0.2
163.03879	0.4
163.07448	0.2
163.11128	0.2
165.01866	0.1
165.06963	0.1
167.07004	1.0
169.06404	0.2
171.02843	0.5
171.08083	0.6
171.11716	0.2
175.03873	0.3
175.07503	0.2
175.14795	0.1
177.05417	0.7
179.03328	0.3
181.06429	1.5
182.07130	0.1
183.02916	0.2
184.05179	0.2
185.05936	0.2
189.05475	0.2
189.16469	0.2
191.03387	0.3
195.02954	0.8
197.06015	0.3
199.07513	6.2
207.06531	0.4
209.05936	0.3
210.14882	0.2
211.07556	0.2
213.03801	0.2
215.10600	0.2
216.10074	0.2
219.02824	0.2
227.06973	2.8
231.04955	0.2
237.05424	1.3
245.08064	0.4
249.10315	0.1
251.11877	0.3
255.06490	100.0
256.06842	1.3
261.03909	0.3
263.09219	0.3
263.11697	0.2
271.06061	0.8
272.06372	0.3
273.07507	1.2
283.06140	0.6
285.07263	0.1
295.05988	0.3
297.07434	0.5
301.06927	0.4
307.05838	0.2
308.06876	0.1
309.07388	0.2
309.12173	0.1
311.13699	0.2
319.06168	0.2
325.07120	0.2
325.10904	0.1
327.08640	0.4
333.07510	0.2
337.06998	0.5
339.08255	0.4
345.09720	0.2
349.07208	0.2
357.13428	0.4
363.08466	0.2
363.12637	0.2
371.15909	0.1
376.75476	0.2
379.08163	0.3
379.49521	0.1
391.07919	0.4
400.16653	0.2
403.13800	0.2
415.08557	0.1
434.17023	0.2
446.17017	0.5
464.17917	0.2
485.11832	0.2
491.08234	0.2
503.11612	0.4
509.11926	0.2
524.20190	2.3
527.28314	0.2
539.13226	0.3
545.13043	1.0
557.13770	0.2
587.24670	0.6
599.15314	0.6
605.25464	0.1
611.13995	0.4
629.15118	1.5
633.24860	0.4
647.15991	0.3
665.26489	0.9
665.36639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
58.06595	1.1
62.17989	0.5
65.03921	0.6
67.05492	2.2
67.22073	0.5
68.99786	4.5
69.03393	1.2
70.83189	1.4
76.30678	0.5
79.05476	1.8
81.07059	2.6
85.02882	0.8
88.94125	0.5
91.05453	2.7
93.07023	2.1
95.04963	3.9
95.08585	0.6
103.05476	1.4
104.90759	0.4
105.07035	4.5
107.04952	2.3
107.08595	0.8
109.06536	0.6
109.10152	0.7
119.04893	0.7
119.08561	1.1
121.06498	3.1
121.10152	2.4
123.04418	100.0
124.04746	1.2
128.06238	0.9
131.04890	0.9
133.06479	6.9
133.10150	1.1
134.03566	0.6
135.04388	1.6
135.07935	0.6
136.05142	0.6
137.05969	2.5
143.08549	1.7
145.06488	1.0
145.10130	0.7
147.04362	4.0
149.05969	50.5
150.06291	1.2
151.07559	0.6
161.05968	15.0
161.09619	2.3
163.07533	1.8
170.91370	0.6
171.08084	2.7
173.05904	0.6
173.09399	0.5
174.06734	3.2
175.07536	1.6
179.08476	0.6
181.10065	0.5
183.08037	0.8
185.09662	0.6
187.07521	1.4
189.07381	0.8
189.09091	15.1
191.10661	1.1
198.06757	0.5
199.07420	1.0
201.09071	1.1
203.10645	6.3
205.87479	0.6
211.07480	1.0
213.09082	0.6
215.10660	1.8
225.05322	0.6
225.09087	1.4
227.06853	0.5
253.08548	3.1
255.06421	0.7
269.08051	1.6
269.15222	1.2
271.09625	99.9
272.09964	3.1
283.09659	2.1
293.08102	0.6
299.12646	0.8
307.09567	0.6
323.12497	1.0
325.14319	33.0
326.14664	1.2
393.20569	5.6
405.13315	0.5
405.20468	4.3
541.18549	10.7
576.93610	0.5
591.19275	0.7
607.19733	1.5
645.24115	1.0
663.25983	4.7
663.36609	1.0
677.06744	0.7
692.84222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70887	0.5
53.20810	0.4
54.85817	0.4
54.91520	0.5
55.01878	1.2
61.08188	0.5
67.05496	3.4
68.99780	4.5
69.03413	0.5
69.07053	0.9
71.62675	0.5
73.28602	0.5
79.05470	1.5
79.50076	0.4
81.07051	1.9
91.05461	2.2
93.07033	2.1
95.04962	3.4
103.05472	0.8
105.07028	4.3
107.04951	2.1
107.08612	0.6
109.06464	0.7
109.10146	0.6
115.05450	0.6
119.04909	0.6
119.08595	1.4
121.06509	2.6
121.10150	2.3
123.04417	100.0
124.04768	0.9
128.06187	0.8
131.04884	0.6
131.08524	0.5
133.06500	5.9
133.10130	1.6
135.04427	1.3
137.05971	2.7
143.08546	1.5
145.06482	0.6
145.10146	0.7
147.04391	4.0
149.05969	48.0
150.06387	0.5
153.73627	0.5
161.05963	15.6
161.09604	1.9
163.07555	1.6
171.08032	2.0
174.06757	2.2
175.07599	0.7
175.11240	0.6
183.08058	1.0
187.07510	0.7
187.11211	0.6
189.09090	12.1
191.10631	1.1
197.09605	0.5
199.07504	1.1
201.09100	0.5
203.10606	6.2
207.07976	0.6
211.07513	1.1
211.48849	0.5
213.09019	1.0
215.10713	1.4
225.09102	1.2
231.08298	0.5
235.07330	0.5
235.58818	0.5
239.07089	0.6
253.08585	3.2
267.06509	0.8
269.07941	1.3
269.15317	1.2
271.09625	95.3
272.09991	1.7
279.06592	0.7
283.09576	1.9
297.11292	0.7
299.12625	0.5
309.11093	0.8
323.12787	0.8
325.14307	31.7
326.14502	0.8
393.20496	4.6
405.20700	5.2
443.14700	1.2
445.16330	1.0
501.30447	0.5
541.18549	12.1
589.18634	0.9
591.19763	1.1
607.19568	1.1
645.24591	0.7
663.25543	4.9
663.35303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72993	0.4
53.00282	0.3
53.03941	0.6
55.01859	0.9
55.02991	2.0
55.05282	0.4
55.05502	2.0
56.01400	0.4
57.03423	1.1
60.04503	0.4
60.05660	2.1
61.02910	0.8
69.03422	3.9
70.06583	3.3
71.04974	0.5
71.62428	0.5
72.08150	21.8
73.02898	0.9
73.06474	0.5
79.05471	0.7
80.01355	0.5
81.03433	1.8
82.02937	0.6
82.06566	0.6
84.04533	0.4
84.08132	1.5
85.02897	7.0
86.06036	0.4
86.09706	0.9
87.04446	0.8
89.10796	0.7
91.05485	2.0
95.04973	0.5
97.02881	3.6
97.07644	12.3
98.02409	2.4
98.06049	2.4
98.09666	0.6
99.00830	1.2
99.04459	0.9
101.05989	0.5
105.07029	0.5
107.04948	1.8
109.02870	1.2
110.02395	22.0
110.07163	0.5
114.10283	19.1
114.12840	0.4
115.08683	3.9
116.03439	0.5
119.04942	4.0
121.02834	1.8
123.04483	0.5
124.07565	0.6
127.03896	2.7
128.03450	1.8
131.12914	2.3
132.95813	0.3
137.05971	0.4
140.08160	0.7
144.95853	0.4
145.02853	1.5
145.05013	0.6
145.06520	0.7
147.04398	33.7
148.04741	0.9
149.05940	0.4
151.03943	0.4
151.08658	0.6
152.07057	29.4
152.08083	1.5
161.05965	0.5
162.96985	0.4
166.09807	0.9
166.35513	0.4
167.07072	1.2
169.09727	3.4
170.08109	5.2
173.05933	0.8
175.03911	1.1
177.05457	3.7
178.05902	0.5
181.05048	0.5
181.06598	0.4
186.96791	0.6
193.08473	0.4
194.09235	19.3
200.10657	0.6
206.08192	0.5
207.06419	3.0
211.07555	0.7
211.11852	1.1
212.10219	0.7
217.13362	3.5
218.11719	4.1
219.08070	1.2
227.93401	0.4
229.12941	0.7
233.06123	0.5
234.98981	1.2
235.14406	1.0
237.09155	1.2
241.08675	0.6
247.07582	0.9
258.08917	1.5
260.13925	4.7
265.08548	2.3
265.15500	1.3
266.15768	0.7
272.10486	2.3
273.11215	0.7
277.16565	6.3
278.05786	0.6
278.17133	0.4
279.06546	0.4
279.10284	0.5
283.09680	0.6
293.07913	1.9
297.11176	1.4
302.15002	1.2
307.05905	0.4
309.06827	0.4
310.08209	0.5
321.07568	0.6
325.10754	4.1
335.09641	0.4
338.07880	0.7
347.09491	0.4
352.11978	1.5
353.10226	1.5
377.10602	0.5
423.09457	3.1
423.19183	1.4
424.17758	1.3
448.18661	2.5
466.19684	1.9
484.20724	0.6
501.23480	9.3
646.21484	0.7
651.89874	0.4
663.28656	100.0
664.21875	3.2
664.29871	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41919	0.1
53.03923	0.2
55.01865	0.3
55.05488	0.1
57.03397	0.2
58.26889	0.1
60.75629	0.1
61.02891	0.3
67.05464	0.3
68.99809	0.1
69.03128	0.1
69.03418	1.0
69.07038	0.2
70.06556	0.4
71.04973	0.2
71.61600	0.2
72.08117	0.2
73.02885	0.3
79.05475	0.1
81.03411	0.6
81.07014	0.5
83.04932	0.2
84.08099	0.4
84.08559	0.1
85.02904	2.2
85.06512	0.3
86.09705	0.1
87.24689	0.1
88.56884	0.1
91.05441	0.5
93.06990	0.3
95.04932	0.3
95.08569	0.5
97.02908	0.9
97.06485	0.1
98.09650	0.3
99.04408	0.3
105.06979	0.4
107.08553	0.3
109.02868	0.6
109.06494	0.2
109.10154	0.2
112.07554	0.1
116.41962	0.1
119.04929	0.6
119.08520	0.3
121.02860	1.5
121.10107	0.4
123.04394	0.4
123.11652	0.1
125.05939	0.2
127.03901	1.1
131.04837	0.1
131.08575	0.2
133.10092	0.1
135.11618	0.2
137.02295	0.4
137.05890	0.4
137.09521	0.1
139.07549	0.1
140.07001	0.2
141.01807	0.6
143.08534	0.1
145.04887	0.2
145.10168	0.2
147.04370	0.5
147.07933	0.2
147.11652	0.2
149.05940	0.1
151.07523	0.2
153.01805	0.2
153.05441	0.2
155.03319	0.1
159.11644	0.2
163.07379	0.1
165.01833	1.8
167.06975	0.5
171.08017	0.3
173.05956	0.1
177.05431	0.2
177.99744	0.1
181.04836	0.2
181.06432	0.3
183.02888	1.9
189.12648	0.2
193.12282	0.1
199.07491	0.4
201.05447	0.3
207.06512	0.2
213.05461	0.1
213.09239	0.1
227.06900	0.3
229.05006	0.4
235.05931	0.2
237.05461	0.2
255.06505	3.3
265.05032	0.2
269.54987	0.1
271.05991	1.9
282.05273	0.3
283.05988	100.0
284.06317	2.4
295.06036	1.2
298.04581	0.2
301.07187	0.2
307.05884	0.3
311.05392	0.2
313.06976	0.3
325.07117	1.9
337.06870	0.3
339.12207	1.8
379.08173	0.3
429.30106	0.2
445.11273	37.8
446.11472	1.2
447.30981	0.4
457.10938	0.1
465.32132	0.2
483.32880	0.3
501.17529	32.0
502.18161	1.1
513.17310	0.2
622.37024	0.1
645.21613	0.2
657.04626	0.1
663.21899	0.6
669.07501	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	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32777	5.5
55.05507	33.0
57.03431	25.2
57.07066	13.4
57.74355	5.6
67.05161	9.6
67.05499	100.0
69.07067	25.8
69.30872	56.4
71.05003	6.7
76.11172	6.2
79.05492	63.6
81.07058	74.0
83.04990	6.2
83.08608	16.1
87.04458	21.9
91.05480	64.5
93.07036	78.1
95.04958	14.2
95.08593	47.0
97.10184	10.0
105.07033	43.5
107.08611	41.5
109.10172	27.5
117.07024	18.6
119.08575	44.8
121.10155	31.9
125.09650	5.4
129.07021	13.9
131.08559	34.7
133.10165	29.7
135.08044	9.7
135.11682	15.2
141.07028	5.5
143.08502	8.7
145.10129	29.1
147.11699	16.7
149.09641	7.3
149.13208	6.4
157.10146	15.9
159.11681	27.1
169.10118	7.1
171.11693	8.3
173.13229	9.8
183.11739	6.5
185.13287	14.6
197.13101	7.1
203.14326	8.7
219.17433	6.7
227.12804	13.4
239.17921	7.0
241.19373	7.0
241.45241	5.3
257.18915	19.0
275.20123	26.6
335.25748	62.2
349.23746	21.0
443.47079	6.1
469.61069	5.9
489.35815	11.8
609.45258	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06289	0.4
52.20688	0.4
53.03941	1.0
55.05508	2.6
55.47522	0.4
56.05025	2.4
57.03440	3.1
58.06606	1.2
65.03946	1.9
67.05502	1.2
68.99789	0.5
69.03439	1.9
69.41080	2.8
69.41496	1.4
70.02956	1.2
70.06584	2.1
71.01353	0.7
71.04987	15.7
72.08166	2.3
73.02927	1.1
75.04468	0.9
76.21408	0.5
81.03423	1.6
81.07043	0.7
82.06591	1.2
83.04992	2.0
84.07621	0.5
84.08137	15.6
85.02899	20.8
86.06065	0.6
86.09747	0.5
87.04453	0.9
95.04971	1.3
95.08622	0.8
97.02885	2.0
98.06080	0.9
98.09686	1.2
98.20729	0.7
99.04443	1.6
100.07649	0.5
101.06013	4.1
102.26922	0.4
107.04977	0.8
107.08566	0.5
109.02888	1.5
109.06515	0.6
110.02372	0.6
111.04441	2.1
114.09133	0.5
119.04913	1.4
119.08572	0.8
121.02856	100.0
122.03217	0.7
123.08031	0.6
127.03922	2.4
128.10701	4.8
128.19553	0.5
129.05489	1.4
130.08585	0.6
131.04886	0.5
137.05927	0.6
138.05431	1.1
145.02774	0.6
145.06606	0.5
146.11768	3.2
147.04402	3.5
147.08026	0.6
149.09663	0.6
152.07022	0.8
153.01892	0.5
163.03877	1.5
164.07060	6.2
167.07039	1.1
171.91814	0.4
175.03949	0.8
177.05434	0.6
179.03313	0.6
181.06639	0.5
185.09665	0.6
189.01810	1.0
199.07552	0.8
203.03365	1.3
203.07002	1.1
207.02869	0.7
207.06573	0.8
211.09570	0.7
213.05437	0.6
213.09119	0.9
214.08595	1.1
215.03325	0.7
215.06993	0.8
216.10132	0.6
217.04880	0.7
219.06473	0.5
223.07408	0.9
225.05475	0.5
228.10042	1.4
229.04976	0.6
229.08484	1.7
240.10104	1.3
241.08643	2.9
242.08105	11.1
243.06378	0.8
253.08556	0.6
256.09607	1.8
260.09045	0.7
265.08481	0.8
267.06323	1.2
268.09586	0.6
272.14725	0.8
279.06396	0.6
280.45862	0.5
281.07962	1.2
282.05234	1.0
283.05850	1.8
283.09470	1.4
284.09198	2.5
290.15952	6.1
294.05237	0.6
295.05951	5.5
295.09088	0.6
297.07477	0.9
307.02637	0.6
307.05991	10.3
307.09360	1.3
308.06390	2.3
308.09552	0.8
309.07422	2.1
309.10709	0.6
319.09125	1.2
320.06802	2.9
321.07709	5.1
321.11026	1.2
323.09122	1.1
325.06851	1.3
325.10468	0.6
326.10132	0.7
332.09879	0.5
333.07312	4.5
333.11124	1.2
334.07977	0.5
335.08847	1.8
336.12155	0.5
337.06815	1.1
337.10504	0.8
345.07297	0.6
345.11023	0.8
346.10446	2.0
347.08997	2.0
348.12091	1.4
349.06766	2.6
349.10556	3.5
351.08163	0.8
351.12201	1.0
354.09384	0.5
354.13394	3.1
360.12213	3.1
361.07303	0.7
361.10687	3.2
363.12103	0.6
366.13370	2.5
373.06882	1.1
375.07910	0.6
375.12616	2.1
378.13342	10.8
379.11703	1.3
385.10419	0.6
390.13315	1.1
396.14417	28.3
402.12976	2.1
403.11972	3.0
415.11200	0.7
416.14563	0.8
420.14386	24.6
421.14215	0.9
426.13223	0.5
427.11444	0.6
432.14252	0.7
444.14401	7.0
445.12189	0.8
450.15677	4.6
462.15479	9.9
469.68954	0.6
480.16675	9.2
481.14499	1.8
498.17587	49.1
498.28558	1.2
499.17029	0.9
500.24881	4.8
516.18640	13.8
524.18909	0.6
542.20148	2.8
590.20032	0.9
608.20764	1.1
626.21222	1.6
644.23328	7.5
662.23389	33.2
663.23987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01870	1.1
55.05493	1.9
56.05026	0.9
57.03427	3.9
61.02911	0.8
63.92175	0.5
65.03924	0.6
67.05490	0.9
69.03430	2.6
69.07072	1.5
70.06586	3.3
70.66214	0.5
71.01350	0.6
71.04987	20.7
71.62062	0.6
72.08157	3.3
73.02939	1.2
79.05494	0.8
80.04982	0.7
81.03400	2.3
81.03863	0.5
81.07062	1.1
82.06572	4.5
83.04969	1.8
84.04488	1.1
84.08136	15.7
85.02898	25.8
86.06074	0.7
86.09705	0.6
87.04448	2.3
91.05471	1.7
93.07025	1.3
95.04967	2.5
95.08581	1.3
96.08110	0.6
97.02874	3.1
98.06017	0.8
98.09673	1.9
98.29641	0.5
99.04442	1.0
100.07618	2.0
101.05998	1.2
103.03907	0.8
105.07048	1.3
107.04967	1.7
107.08566	1.9
109.02879	1.6
109.10155	1.2
110.02389	1.2
110.07144	0.8
111.04421	1.7
114.09161	0.7
116.07039	0.5
117.07076	0.7
119.04920	1.1
119.08578	7.1
120.08086	0.6
121.02863	5.7
121.10165	1.1
123.04443	1.0
124.03960	0.6
124.07553	0.6
127.03899	3.4
128.07077	1.2
128.10721	1.4
130.08681	1.1
131.08592	0.7
133.06459	0.9
133.10110	6.5
135.11635	1.1
137.05994	1.7
145.05054	0.7
145.06427	0.8
146.11723	0.9
147.04387	4.0
147.11671	1.2
148.04558	0.6
152.07065	1.3
153.01773	0.8
163.03941	0.9
165.01892	1.2
167.07034	2.5
175.07518	0.6
175.14813	18.3
175.16254	1.1
177.05479	1.3
183.02946	1.2
185.09538	0.9
191.14116	0.6
193.15901	1.6
195.02928	1.5
197.05975	0.8
200.10806	0.7
202.12315	1.7
203.03391	0.6
207.02824	0.6
211.07664	0.7
228.10207	2.2
239.07155	0.6
243.06471	0.6
251.06938	0.9
256.11884	1.0
261.03824	0.8
274.12793	1.8
279.06473	2.6
282.05258	2.4
283.05991	3.7
285.07590	0.6
290.16052	0.9
293.08139	1.8
295.06033	4.9
296.06732	1.3
297.07666	1.7
302.11905	0.7
305.08182	0.7
307.06018	2.9
307.09451	1.4
308.17032	3.5
309.07541	2.4
309.11157	1.3
313.06961	0.7
317.08179	0.8
319.06284	0.8
319.09708	2.2
321.07544	3.1
321.11221	4.6
323.09177	1.3
325.07059	5.5
330.11243	6.4
331.09103	1.2
331.12421	1.5
332.10291	4.1
333.07571	1.2
333.11206	2.1
335.09195	4.0
336.12292	1.4
337.07004	1.9
337.10782	1.6
343.09506	1.3
345.11270	1.7
347.09082	1.5
347.12909	1.1
348.12399	5.5
349.06967	1.2
349.10709	2.3
351.08661	1.3
351.12305	5.1
353.10358	1.6
354.13361	1.9
357.11273	0.7
359.09027	0.8
360.12286	2.9
361.06924	1.0
361.10678	19.7
365.10193	2.7
366.13406	4.4
367.11691	1.8
371.12820	2.3
375.12262	2.3
377.10117	1.5
378.13358	10.8
379.11877	2.4
384.12399	0.6
385.10623	4.0
387.12296	1.2
389.09818	1.0
389.14139	1.0
391.12018	0.9
396.14401	15.9
399.12296	2.0
402.13239	6.3
403.11880	1.1
408.14621	0.9
414.13477	0.7
415.11789	2.5
416.14902	0.7
417.13422	2.2
420.14359	8.0
424.63330	0.6
426.15271	1.7
427.11758	4.3
429.04849	1.2
432.14630	1.1
435.14633	1.0
438.14999	0.8
444.14322	4.5
445.12799	3.9
450.15738	2.8
462.15533	5.7
463.14001	2.7
470.15823	0.9
480.16461	8.5
481.15097	0.8
488.17169	1.5
498.17548	10.9
504.90942	0.6
512.17200	0.8
516.18622	47.7
517.18738	1.2
542.20062	1.0
558.20013	1.1
572.19220	0.9
590.20135	1.2
608.21088	2.9
626.22479	2.7
644.23541	1.9
662.24335	100.0
663.24567	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	662.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01873	0.4
55.05497	0.8
56.05033	0.6
57.03430	4.0
59.04997	0.6
61.02921	0.7
65.03918	0.4
65.61227	0.4
67.05494	1.1
68.04992	0.4
69.03413	1.3
69.60221	1.3
69.60651	1.3
70.06580	1.0
71.01334	0.4
71.04987	19.5
72.08152	0.6
73.02909	0.9
75.04464	1.2
75.36645	0.4
81.03433	0.8
82.06577	0.5
83.04961	1.5
84.08131	6.4
85.02897	23.1
86.06036	0.5
87.04459	1.0
94.06565	0.6
95.04976	1.0
96.08117	0.4
97.02905	0.8
99.04456	0.9
100.07588	0.7
103.03931	0.4
107.04979	0.4
109.02870	0.5
111.04431	1.5
112.07513	0.4
119.04929	0.6
121.02847	4.3
122.09633	0.4
123.04425	0.4
124.11266	0.4
127.03925	1.2
129.05481	2.4
133.10045	0.3
137.05937	0.5
145.02852	1.2
147.04396	1.0
150.09109	0.7
158.09689	0.4
163.03900	0.5
166.12231	0.5
173.13152	0.4
176.07240	0.4
179.03392	0.4
179.66597	0.4
189.01851	1.5
191.03462	0.9
195.02800	0.5
202.22441	0.4
203.03391	0.9
205.05016	0.5
207.02919	1.5
213.05368	0.3
215.03395	0.4
219.02927	0.4
221.04393	0.6
230.08183	0.9
233.04361	0.3
242.07986	0.5
243.06670	0.5
267.06506	0.6
271.06119	0.6
279.06482	0.8
281.08102	0.9
283.05975	4.3
284.06683	0.4
291.06573	0.7
293.08234	1.6
294.05066	0.5
295.05984	9.9
296.06735	1.4
297.07581	2.2
305.08142	1.0
306.07751	0.4
307.05960	21.3
308.06613	1.1
309.07501	3.4
313.07040	1.0
315.13535	0.6
317.08148	0.9
318.07999	0.8
318.11517	0.5
319.05972	1.6
319.09671	1.1
320.06781	1.8
321.07611	5.7
321.11182	1.0
322.08499	0.5
323.09161	1.2
325.07040	13.3
326.07385	0.5
330.11206	2.5
331.08890	0.5
331.12067	1.2
333.07608	4.0
333.11203	0.9
335.08871	3.5
336.12421	1.8
337.07034	1.9
337.10742	3.3
339.08777	0.3
342.11307	1.3
343.09512	1.7
345.07578	0.7
345.11429	0.9
346.10693	0.9
347.05472	0.4
347.09274	1.4
348.12265	10.3
348.16330	0.6
349.07065	4.9
349.10825	3.1
351.08575	1.1
353.10089	0.5
354.13333	4.3
355.12094	2.1
359.08737	0.5
360.12271	9.2
361.10672	30.8
362.10818	0.6
363.08557	0.9
363.12463	0.5
365.10074	0.8
366.13379	1.1
367.12018	0.8
368.12912	0.8
372.12521	0.8
373.06906	0.8
375.08478	0.8
375.12637	0.6
376.11789	0.6
377.10278	0.7
378.13339	14.3
379.08020	0.6
379.11774	9.6
380.53250	0.3
384.12274	0.9
385.10483	0.4
388.15616	0.5
390.13165	0.6
391.07480	1.7
391.12311	0.7
396.14420	18.6
397.13702	1.1
398.14093	0.3
399.12177	0.5
402.13428	3.9
403.11703	9.8
405.09970	0.4
408.14563	0.5
409.08740	0.7
409.13303	0.9
414.13467	0.9
415.11655	0.4
417.13315	1.0
420.14420	5.6
421.12988	1.1
426.13278	2.0
427.11447	1.4
430.14972	0.5
432.14417	0.9
433.12933	1.8
444.14407	3.2
445.12744	3.8
450.15372	0.4
462.15384	3.4
463.13763	4.0
480.16483	4.1
481.14944	2.6
488.16837	0.5
498.17566	23.0
499.17007	1.6
500.19116	0.4
516.18634	25.4
517.17932	1.3
521.21509	1.5
542.20166	6.8
543.20563	0.4
590.20160	1.3
608.20966	1.4
626.22217	1.0
644.23352	4.0
662.24329	100.0
663.24805	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	661.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01875	3.9
55.05511	14.2
57.03434	19.6
57.07062	3.1
61.02923	75.9
63.76427	1.6
66.39728	1.5
66.76492	1.6
67.05168	3.3
67.05500	41.7
69.03425	30.7
69.07066	18.3
71.01336	5.3
71.04978	5.5
71.08585	2.1
71.62012	2.7
73.02913	26.0
75.04461	1.6
79.05491	14.6
81.03412	21.8
81.06577	2.1
81.07056	41.7
83.01354	2.0
83.04958	5.6
83.08601	11.7
85.02899	100.0
87.04458	3.8
91.03402	3.5
91.03951	59.0
91.05467	13.0
93.07035	18.5
95.04931	4.9
95.08601	37.4
97.02886	73.0
97.06506	2.8
97.10164	5.3
99.04469	12.4
99.08082	2.3
101.02366	6.7
103.03925	9.6
105.07018	10.4
107.04930	2.7
107.08599	12.4
109.02872	12.2
109.10159	15.2
111.04435	2.7
115.03912	4.7
117.05490	2.8
117.06988	4.9
119.08572	9.1
121.10126	9.4
123.04427	27.2
123.11695	7.9
127.03912	36.0
129.05466	6.4
129.06984	2.6
131.04887	3.5
131.08540	5.0
133.10149	8.3
135.04372	2.1
135.11684	6.9
137.13234	2.8
143.08545	2.9
145.04948	24.8
145.10110	4.1
147.04398	8.4
147.08047	2.7
147.11670	4.4
149.05980	3.6
149.13257	5.8
151.14851	2.1
159.06508	2.3
161.13264	4.8
163.06023	9.6
163.07344	2.2
163.14792	4.9
165.16328	2.3
171.06563	3.1
171.07999	3.0
175.07469	1.8
175.14777	3.1
181.12259	2.0
183.06529	9.3
187.14815	2.4
189.09087	2.9
199.07565	3.6
201.07486	8.2
213.09084	2.1
245.22656	6.9
255.09972	3.0
256.10483	3.8
257.10767	2.1
261.22186	1.9
263.23685	15.5
269.08038	27.9
305.24905	2.3
317.24533	2.4
320.58740	2.0
323.12820	9.3
329.24741	2.5
335.25742	3.4
337.27338	91.4
338.27695	3.9
339.12335	2.0
343.26443	2.4
353.24664	3.9
365.26892	3.7
371.25912	8.1
421.29486	1.9
433.30054	2.4
445.29541	4.8
463.30475	5.5
481.31686	11.5
499.32651	5.8
539.16687	3.2
661.24194	7.9
661.37628	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	661.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.5
55.01826	0.5
55.05463	1.3
57.03431	1.0
57.07076	0.7
58.75412	0.1
61.02916	0.7
65.03909	0.3
67.05499	2.0
69.03424	3.2
69.07063	2.6
69.83046	0.8
70.06566	0.2
71.01309	0.3
71.04937	0.5
71.08595	0.3
72.08115	0.2
73.02862	0.6
79.05488	1.3
81.03406	1.6
81.07048	6.7
83.01302	0.3
83.04955	0.2
83.08596	1.2
84.04458	0.2
84.08105	0.2
85.02898	5.9
85.03407	0.3
85.06485	0.6
87.04402	0.6
91.03896	0.3
91.05473	1.6
93.07033	1.5
95.04977	0.8
95.08594	5.0
97.02883	2.1
97.06461	0.7
97.10164	0.7
98.80772	0.1
99.04405	0.6
103.03844	0.1
105.07033	0.7
107.04897	0.3
107.08581	1.1
109.02848	1.3
109.06452	0.4
109.09460	0.2
109.10151	3.0
111.04406	0.5
111.08051	0.2
111.11659	0.5
115.03821	0.2
117.03327	0.3
119.04864	0.6
119.08508	0.6
121.06464	0.4
121.10064	0.6
123.04348	0.6
123.07992	0.3
123.11715	1.8
123.98293	0.1
125.05978	0.8
125.09586	0.3
125.13167	0.2
127.03902	2.5
131.04884	0.3
131.08545	0.3
133.10074	0.5
134.03557	0.4
135.04385	1.2
135.07977	0.2
135.11716	0.7
137.05959	1.2
137.09547	0.3
137.13243	1.0
139.03922	0.8
139.07515	1.2
141.05403	0.5
143.08517	0.2
145.04877	0.6
145.10042	0.4
147.04398	2.1
147.11623	0.3
149.05925	0.3
149.09517	0.2
149.13181	0.6
151.03830	0.3
151.07487	0.4
151.14781	0.4
153.04268	0.2
153.05449	2.9
155.07011	0.3
157.10143	0.2
159.11566	0.3
161.05940	0.2
161.09590	0.2
161.13203	0.3
163.03896	0.2
163.11133	0.3
163.14786	0.2
165.05453	3.1
165.09099	0.3
167.07039	2.0
169.10083	0.2
171.06511	6.2
171.07967	0.4
173.13232	0.2
175.03859	0.2
175.07445	0.2
175.11052	0.2
175.14726	0.1
177.05418	0.2
177.09067	0.4
179.07025	0.2
179.10634	0.3
181.08524	0.2
183.06471	0.4
189.09062	0.3
189.12671	0.2
191.03384	1.0
191.10687	0.3
195.08104	0.2
195.10027	0.2
205.12117	0.2
207.21141	0.2
209.04417	1.6
209.11595	0.2
215.10664	0.2
219.13739	0.2
221.11729	0.3
223.07416	0.3
225.11191	0.2
233.11755	0.3
239.06967	0.5
239.12692	0.5
240.07777	0.4
250.06123	0.2
251.06989	0.4
251.12695	0.2
265.14221	0.3
267.06577	1.3
268.07175	0.6
275.27200	0.2
278.05847	0.2
279.06467	0.7
283.05887	0.4
283.09622	0.4
285.07465	0.2
293.17508	0.3
293.28455	0.2
295.05978	1.2
296.03531	0.3
296.06763	2.6
297.07413	0.3
299.05359	0.4
306.05206	0.6
307.06122	0.2
307.19086	0.3
309.07446	0.3
311.05518	0.3
311.09027	1.9
321.07581	1.1
321.20615	0.2
323.05557	1.4
323.09131	0.3
324.06241	34.0
325.06662	1.1
327.08630	1.6
335.09299	0.2
335.22174	0.2
337.07245	0.7
337.10556	0.3
338.07751	0.2
339.08588	100.0
340.08990	1.3
341.10022	0.2
345.09662	3.4
346.08560	0.1
351.08527	0.2
353.10104	0.4
353.13934	0.2
355.11911	0.2
357.09644	34.7
358.10104	0.7
363.08508	0.4
363.25403	0.2
364.09134	0.3
365.09991	0.2
375.15643	0.3
377.13953	0.2
378.10623	0.3
379.11859	0.5
381.09473	1.6
393.13409	0.9
395.15024	1.0
399.10815	0.3
409.30994	0.2
411.14380	0.7
412.14514	0.2
413.15881	3.2
419.35461	0.4
427.32233	1.0
428.13605	0.2
429.14911	0.2
444.31866	0.2
445.33109	3.4
463.21158	0.8
463.34198	4.5
481.22171	5.8
481.35089	1.7
499.23254	11.4
499.36191	1.3
501.13916	4.7
519.14948	28.3
520.15076	0.4
582.69592	0.2
605.14709	0.6
643.27753	2.3
661.29108	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	661.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01856	1.2
55.05503	1.4
55.86205	0.2
57.03433	1.7
57.07067	0.7
61.02925	1.7
65.03921	0.4
67.05500	2.8
68.99764	0.4
69.03426	5.4
69.07056	2.6
70.06565	0.7
71.04981	1.6
71.24654	0.7
72.08140	0.6
73.02892	0.9
74.82871	0.3
79.05486	2.3
81.03413	3.4
81.07056	6.0
82.06588	0.4
83.04959	1.2
83.08601	0.9
84.08129	0.8
85.02897	8.8
85.06541	1.7
86.09666	0.5
87.04436	1.1
91.03935	0.5
91.05471	2.1
93.07032	3.4
95.04955	1.5
95.08604	5.0
97.02886	5.7
97.06512	1.3
97.10153	0.8
99.04446	1.4
100.07607	0.8
103.03967	0.5
103.05449	0.3
105.03391	0.3
105.04536	0.3
105.07014	2.2
107.04955	1.5
107.08587	3.1
109.02873	2.3
109.06491	1.3
109.10149	3.3
111.04443	0.5
111.08054	0.6
115.03883	0.4
115.05443	0.4
117.03368	0.5
117.07011	0.5
119.04919	0.7
119.08610	1.9
121.02831	0.9
121.06520	1.9
121.10130	1.7
123.04419	2.2
123.08038	1.2
123.11720	1.8
125.06004	0.8
125.09586	0.3
127.03911	4.9
128.04285	0.5
131.04941	0.4
131.08543	0.6
133.02846	0.4
133.06471	0.4
133.10118	1.6
135.04417	1.0
135.08034	0.9
135.11681	1.3
137.02345	1.5
137.05978	2.1
137.09567	0.5
137.13217	0.5
139.03911	0.4
139.07509	1.0
141.01891	0.3
141.05440	0.5
141.09094	0.3
143.08519	0.4
145.02771	0.7
145.04909	0.7
145.06392	0.4
145.10176	1.5
147.04382	2.3
147.08032	0.4
147.11662	0.9
149.02359	0.4
149.05943	1.0
149.09601	0.5
149.13258	1.3
151.03975	0.6
151.07516	3.8
151.11150	0.4
153.01878	0.5
153.05435	1.0
155.06984	1.0
157.10097	0.5
159.11612	0.6
161.02303	0.5
161.05975	0.8
161.09653	0.5
161.13208	0.6
163.03889	0.7
163.07500	0.4
163.11189	0.7
163.14813	0.4
165.01874	0.3
165.05573	0.6
165.09114	2.9
166.09435	1.2
167.07054	6.6
168.07390	1.0
171.04395	0.8
171.06529	0.4
171.07999	0.4
171.11674	0.4
173.05981	0.5
173.09576	0.3
173.13226	0.6
175.03891	0.6
175.07565	0.7
175.11290	0.3
175.14818	0.4
177.01817	0.6
177.05418	1.4
177.12704	0.3
177.16324	0.3
179.10674	0.4
181.04947	0.7
181.06415	0.5
183.11748	0.3
187.07489	0.4
187.11177	0.4
189.01802	0.4
189.05399	0.6
189.09122	0.3
189.12769	0.4
191.03387	0.4
191.10677	1.0
191.14240	0.6
193.04877	0.3
193.08498	0.4
193.15739	0.3
195.02876	4.0
195.10112	0.3
199.03900	0.7
199.07555	0.4
201.05531	0.6
203.03333	0.7
203.06886	0.4
205.08612	0.4
205.12259	1.2
207.02881	0.6
207.06517	0.7
209.07927	0.3
209.15385	0.3
213.05449	0.4
213.09018	0.4
215.10602	0.6
217.04938	1.1
217.12202	0.4
221.04445	0.3
227.07013	0.7
227.14557	0.4
239.06992	0.4
245.04613	0.4
253.05009	0.3
255.02870	1.0
255.06487	1.7
256.07056	0.4
259.16843	0.3
265.04999	0.4
267.06546	0.4
269.04208	0.5
269.96216	0.3
271.05917	0.9
277.08548	0.3
283.05969	1.1
285.07608	0.9
287.05347	0.5
293.04358	0.9
295.06015	1.9
295.09222	0.5
297.07623	0.4
299.05508	3.0
303.06543	0.5
305.08002	0.8
307.05988	0.8
308.06580	0.5
309.07568	1.8
310.04721	0.9
311.05469	100.0
312.05850	1.5
313.06967	0.7
321.07532	0.6
323.05502	6.1
323.09094	1.0
324.06149	0.6
325.03418	0.8
325.06964	4.9
333.07535	3.5
335.05441	0.9
335.09088	0.5
336.06274	1.0
337.06982	4.3
337.10574	0.5
339.08594	1.3
341.06491	2.3
343.07883	0.4
349.07129	1.6
351.08618	13.3
353.06497	1.4
353.10236	0.7
355.11639	0.8
357.09714	0.6
359.05499	0.6
361.07031	4.1
361.11108	0.5
363.08514	0.8
365.06509	4.0
365.10321	0.5
367.07578	0.6
367.11771	4.1
377.06516	12.6
378.06937	0.4
379.07922	3.6
379.11884	2.8
383.11197	0.4
388.05643	0.5
389.01489	0.7
389.06509	14.8
393.09729	1.0
395.07355	1.3
395.11963	0.5
399.14343	1.1
407.07510	11.1
413.12097	1.0
417.13495	0.5
421.12933	1.8
425.08670	2.0
427.32031	0.8
433.12845	1.1
443.09586	0.6
445.12482	1.7
445.33774	1.8
451.13809	1.3
462.32999	0.3
463.13373	1.6
463.34430	6.2
473.10745	12.6
479.13632	0.4
480.33597	0.4
481.14291	2.4
481.35501	3.6
499.15686	3.2
499.35855	1.1
515.15234	0.7
527.11621	1.1
529.17029	31.0
530.17072	0.4
539.11523	0.9
551.11798	1.3
557.12854	6.9
569.12848	10.4
583.17963	0.5
587.13885	5.4
595.18152	1.8
605.14813	3.8
607.18188	3.3
613.19153	14.5
625.18964	9.8
643.09222	0.6
643.20087	12.4
644.20386	0.3
661.21033	11.9
661.30780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01865	1.0
55.05495	0.2
57.03178	0.1
57.03433	1.4
57.33262	0.1
57.64941	0.1
58.69276	0.1
61.02919	1.0
65.03931	0.1
67.05505	0.2
68.99784	1.1
69.03422	9.6
71.01355	0.2
71.04987	0.9
73.02911	1.3
81.03410	7.8
83.01311	0.2
85.02897	12.3
87.00820	4.5
87.04454	0.3
91.03940	0.3
91.05457	0.9
95.04975	0.2
95.08613	0.1
97.02882	3.6
98.20694	0.2
99.04447	2.5
99.05085	0.1
99.52564	0.1
101.02394	0.4
103.03928	0.9
105.01858	2.0
106.04149	0.1
107.04946	0.1
109.02866	6.0
111.04416	0.1
115.03918	0.2
117.01860	0.5
117.03375	0.2
119.04939	0.4
121.06453	0.1
123.04433	0.3
127.03902	8.9
129.01828	1.2
134.03635	0.4
135.04373	0.2
141.05466	0.3
145.02777	0.1
145.04930	1.4
147.02896	0.5
147.04405	1.6
148.05132	0.1
149.05940	0.1
151.03891	0.3
153.01834	0.2
159.01651	0.2
159.02893	2.2
159.04234	0.2
161.50969	0.1
163.03880	0.1
165.05479	0.9
167.07051	0.1
170.30482	0.1
171.02831	0.2
171.06596	0.1
175.03958	0.2
181.05058	0.1
181.06482	0.1
186.76045	0.1
187.03900	0.2
187.05991	0.2
189.03957	0.3
191.03352	1.2
193.05005	0.2
195.08070	0.3
208.03571	0.2
209.04434	1.1
211.07462	0.1
213.03870	0.2
222.06732	0.1
223.07562	0.3
227.10670	0.1
231.04974	0.8
239.07074	0.4
240.07852	0.3
241.05106	0.1
250.06258	0.2
251.07033	0.4
253.04716	0.2
267.06485	1.3
268.07242	0.8
269.07950	0.1
278.05695	0.3
279.06519	0.5
280.07193	0.1
281.04282	0.2
283.09488	0.3
285.07535	0.2
291.06363	0.1
292.07486	0.1
293.08084	0.2
295.06015	1.1
296.06775	2.6
297.07465	0.3
306.05164	0.4
307.05884	0.3
308.06720	0.2
309.04135	0.2
309.07462	1.1
310.08081	0.1
311.05869	0.1
311.09100	1.4
321.07590	1.1
323.05453	1.7
323.09210	0.5
324.06244	33.8
325.06717	1.0
327.08591	0.1
337.07050	2.1
338.07761	0.4
339.08585	100.0
340.08908	1.8
348.05838	0.1
351.08521	0.3
353.10010	0.1
357.09644	22.4
358.09818	0.5
363.08405	0.6
369.09195	0.1
381.09628	3.0
393.08984	0.1
395.14871	5.2
396.15085	0.1
399.10754	0.2
405.09271	0.5
411.14331	0.2
413.15891	69.7
414.16232	1.6
455.16956	0.6
465.11737	0.3
483.12662	0.2
519.15442	0.1
561.16077	0.2
575.21057	1.0
587.13800	0.7
605.14948	1.7
643.20282	0.3
661.20984	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	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
53.32557	0.3
55.01861	0.7
55.05508	5.5
56.96550	0.6
57.03431	2.8
57.07061	0.8
59.04984	0.9
61.02920	3.1
65.03932	0.9
67.05499	24.0
69.03407	1.4
69.07066	8.7
71.04982	2.6
71.08607	0.6
71.62688	0.3
73.02906	0.7
75.08502	0.3
79.05486	12.9
81.03414	2.4
81.07048	32.0
82.07378	0.4
83.04970	2.6
83.08134	0.5
83.08611	6.7
85.02909	2.8
85.06530	2.1
91.03934	1.3
91.05473	9.9
93.07035	22.2
95.04954	3.2
95.08595	9.2
97.02898	1.7
97.06526	4.4
97.10147	1.1
99.04454	0.5
99.08080	1.2
105.07014	6.0
107.04935	0.8
107.08583	13.0
109.06501	1.1
109.10131	2.8
111.08055	2.4
111.11692	0.5
112.25878	0.4
117.06998	5.2
119.08580	3.1
121.06481	2.0
121.10133	8.1
123.08039	0.8
123.11665	2.0
125.09634	0.7
127.03890	0.8
129.06982	1.5
131.08548	6.8
133.06473	0.4
133.10126	6.6
133.11082	0.7
135.08022	1.1
135.11671	4.8
137.09596	0.6
140.91017	0.4
141.06961	0.8
143.08571	1.5
145.10095	2.5
147.04417	0.5
147.08051	0.4
147.11664	1.5
149.09637	0.6
149.13245	10.4
151.11102	0.6
155.08521	0.7
157.10110	1.3
159.08119	0.4
159.11678	6.0
161.13290	0.4
167.07034	0.9
167.08533	0.5
167.14297	0.5
169.10123	1.0
171.11679	1.4
173.04446	0.4
173.13245	0.6
173.31775	0.3
177.12689	2.2
183.11661	0.8
185.13159	0.8
189.09128	0.4
195.13785	6.0
197.13194	0.5
207.13794	0.4
213.14809	0.8
223.14882	0.4
251.16321	2.0
267.16025	0.4
269.17447	22.9
278.02383	0.4
281.14163	0.7
335.23819	0.7
339.08966	0.5
339.18338	0.4
343.26398	0.5
349.16782	0.5
351.18378	1.4
353.24759	1.6
361.10565	0.5
371.25827	1.2
372.96704	0.3
389.26892	1.5
411.14587	0.4
413.21902	0.8
426.26233	0.4
427.28098	0.9
445.29456	14.7
463.30508	100.0
464.30768	2.3
480.32642	0.5
481.31586	1.9
589.33990	0.7
607.34589	5.4
636.35028	0.4
661.15283	0.4
661.25659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
54.32987	0.4
55.01849	1.5
55.05508	5.1
57.03432	6.1
57.07053	1.3
61.02914	2.0
65.03925	0.8
67.05499	29.4
69.03412	0.9
69.06715	0.8
69.07061	11.2
71.04977	2.0
71.61716	0.6
71.62089	0.6
72.15569	0.5
73.02932	0.5
79.05485	15.1
81.03416	1.5
81.07050	39.4
83.04973	3.6
83.08612	8.4
85.02874	1.6
85.06521	2.0
91.05472	8.0
93.07037	28.2
93.28935	0.5
95.04967	3.3
95.08035	0.9
95.08603	9.9
97.02891	1.3
97.06522	6.1
97.10139	0.8
99.04459	0.7
99.08076	1.1
105.07018	3.4
107.07852	0.9
107.08583	16.0
109.02844	0.5
109.06481	1.5
109.10146	2.2
111.08068	3.4
117.07019	4.3
119.08553	1.8
121.06482	1.1
121.10130	11.4
122.97955	0.4
123.04419	2.1
123.11685	1.5
129.06935	0.5
131.08536	4.3
133.10124	3.9
135.08051	1.5
135.11700	3.5
138.05406	0.7
139.11179	0.9
147.04395	0.7
147.11670	1.0
149.05962	0.6
149.13245	17.4
151.11186	0.6
156.67706	0.4
159.11693	6.5
163.03773	0.6
177.12761	3.0
195.13788	6.0
198.55185	0.5
213.14986	1.0
269.17453	51.8
425.11142	0.5
463.30533	100.0
464.30847	2.0
607.35101	0.7
636.20447	0.5
654.69977	0.6
660.23334	0.6
661.25067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
53.03937	0.7
55.01860	1.1
55.05506	4.7
57.03433	3.2
57.07060	0.6
59.04978	0.4
61.02917	2.1
64.60138	0.3
65.03905	0.5
67.05501	22.6
69.03415	1.0
69.07063	7.7
69.55005	2.6
70.06568	0.3
71.04978	2.1
72.08123	0.3
73.02901	0.9
79.05486	14.4
81.03407	1.6
81.07052	30.0
83.04981	2.0
83.08613	7.2
83.09108	0.5
85.02888	2.8
85.06535	1.6
91.03948	1.3
91.04893	0.4
91.05472	10.2
93.07039	22.3
94.07351	0.4
95.04952	2.7
95.08604	8.7
97.02889	2.1
97.06518	4.7
97.10142	0.6
98.21613	0.3
99.04450	0.6
99.08071	0.8
103.05446	0.4
105.07027	5.1
107.04940	0.5
107.08583	11.6
109.02908	0.6
109.06542	1.6
109.10143	2.1
111.08074	2.3
112.89809	0.3
113.09645	0.3
117.07007	4.7
119.08566	3.0
121.06514	1.6
121.10129	7.3
123.08074	0.5
123.11676	2.0
125.09598	0.4
127.03872	0.7
128.06140	0.4
129.06998	1.3
131.08565	5.9
133.10124	6.7
135.08028	0.7
135.11682	3.9
138.72935	0.3
139.11168	0.3
141.07005	0.5
143.08562	1.3
145.10132	1.7
147.04411	0.7
147.08086	0.5
147.11681	1.2
149.09560	0.6
149.13258	10.5
151.11177	0.6
155.08652	0.6
157.10139	1.1
159.11679	5.7
163.11157	0.3
167.07048	0.5
167.08510	0.3
169.10126	0.9
171.11685	0.5
173.13254	0.6
177.12735	2.6
181.10161	0.6
185.13225	0.4
187.14854	0.4
195.13788	6.0
195.15486	0.5
197.13287	0.5
199.14784	0.6
209.13319	0.4
213.14897	0.9
229.14189	0.4
251.16460	1.8
269.17453	23.5
270.17831	0.6
298.07458	0.4
302.73923	0.3
339.08508	0.5
339.18262	0.4
343.25974	0.4
349.06744	0.3
353.24780	1.8
371.25894	1.2
389.26697	0.8
411.14224	0.5
412.14450	0.5
427.28363	0.9
445.29471	12.9
446.29813	0.5
449.18686	0.3
463.30518	100.0
464.30930	4.3
481.31534	1.2
607.34637	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	659.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
52.17606	0.2
53.00296	0.3
53.03943	0.4
54.02176	0.1
55.01867	0.4
55.05504	1.3
57.03425	0.7
57.06867	0.1
57.07076	1.6
59.04990	0.3
59.64516	0.2
61.02920	0.4
65.03939	0.3
67.01855	0.9
67.05164	0.3
67.05501	4.4
67.10212	0.1
69.03422	1.6
69.06758	0.2
69.07068	1.9
70.06572	0.5
71.04997	0.5
71.22076	0.2
71.77390	0.2
72.08144	0.5
76.91961	0.1
79.05492	1.7
81.03422	1.0
81.07054	5.9
83.01350	0.2
83.04964	0.8
83.08614	0.7
83.11629	0.2
84.08150	0.3
85.02901	3.2
85.06541	13.4
86.09707	0.3
87.04447	0.2
91.05466	2.0
93.07040	6.8
95.04958	1.6
95.08604	4.5
97.02889	1.8
97.06531	0.5
97.10167	0.6
98.20632	0.3
99.04437	0.7
99.08095	1.2
103.03975	0.2
103.05459	0.3
105.07024	1.8
107.04946	0.6
107.08592	3.0
109.02840	0.9
109.06539	0.8
109.10147	4.5
111.04450	0.4
111.08086	1.1
111.11720	0.3
112.07621	0.3
113.05956	0.2
113.09663	0.3
115.07590	0.3
117.06984	0.3
119.04917	0.7
119.08593	1.4
121.02879	0.2
121.06485	2.0
121.10143	2.3
123.04420	0.5
123.08038	0.4
123.11707	1.6
125.06020	0.4
125.09630	0.6
127.03912	4.3
129.07016	0.3
131.04903	0.2
131.08563	0.6
133.10118	1.5
135.08075	0.3
135.11694	1.8
136.07504	0.2
137.05965	1.0
137.09615	0.4
137.13229	0.5
137.72179	0.2
138.06750	0.3
139.03937	0.2
139.07541	4.3
139.11186	0.4
143.10638	0.4
145.04938	0.5
145.06453	0.2
145.10097	1.0
147.04387	1.7
147.08073	0.2
147.11673	1.1
149.05981	5.4
149.09685	0.3
149.13242	1.7
151.03963	0.2
151.07544	4.1
151.11139	0.3
151.14699	0.2
153.01811	0.2
153.05472	0.7
153.12798	0.4
157.10031	0.2
157.12383	0.2
159.08000	0.3
159.11702	0.5
161.06018	0.4
161.09573	0.4
161.13219	0.5
163.03917	0.3
163.07509	0.3
163.11179	0.4
163.14833	0.5
164.07135	0.2
165.05495	0.8
165.09068	0.8
165.12727	0.4
166.06258	0.6
166.09549	0.2
167.07030	100.0
168.07394	1.9
171.06543	0.5
171.07935	0.2
171.11607	0.2
171.13789	0.3
173.09660	0.3
173.13266	0.5
175.03929	0.2
175.07506	0.5
175.14848	0.6
177.05508	0.4
177.09087	0.3
177.16388	0.6
179.07033	0.3
179.10651	0.3
181.08621	1.0
181.12334	0.2
187.06064	0.2
187.14803	0.2
189.09131	0.7
189.16383	0.4
191.10666	1.2
191.14319	0.4
191.17892	0.2
193.08542	0.5
195.06528	0.2
195.17491	0.2
199.11240	0.2
203.10686	0.6
203.17921	0.6
205.08649	0.2
205.12231	0.6
206.04568	0.2
207.06499	0.4
207.10158	1.8
209.11678	0.2
215.10594	0.3
217.12178	0.3
217.19580	0.2
219.10216	0.4
221.11743	0.3
221.18956	0.3
230.07462	0.2
231.13766	0.3
233.11644	0.2
243.13753	0.2
245.15459	0.2
259.24200	0.3
263.23743	0.2
269.04514	0.3
270.05273	0.5
271.24118	0.2
275.16617	0.2
275.23425	0.2
277.25256	0.7
285.07599	1.8
286.07867	0.2
289.09033	0.3
289.25235	0.6
295.26306	2.5
297.04010	0.4
299.05484	0.3
301.17825	0.2
303.19565	0.2
307.26364	0.6
310.04736	0.3
313.27313	3.4
319.19058	1.1
324.06134	0.3
325.06940	0.8
329.12360	0.2
331.08932	0.2
333.20605	0.6
337.06848	0.3
339.08585	0.4
353.14066	0.2
359.25696	0.4
361.10544	0.4
363.08551	0.4
363.25427	0.3
364.09604	0.2
365.10095	0.5
377.26883	2.5
379.11688	1.0
381.09473	0.4
393.13217	0.6
405.26309	0.2
407.29660	0.3
411.14236	0.4
415.32166	0.2
425.30698	1.9
431.31516	0.4
443.31738	6.0
444.31909	0.3
460.31400	0.2
461.32712	13.2
462.33347	0.9
479.19662	0.3
479.33832	6.2
480.34070	0.4
497.35254	0.9
509.18011	0.4
527.14990	0.4
531.19836	0.2
539.19220	0.3
563.18762	0.3
593.19861	0.2
623.20404	0.4
641.22424	0.5
659.20282	0.4
659.32202	0.8
688.04767	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	659.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	35.5
56.96831	1.7
61.02888	0.6
67.05455	2.0
69.03403	0.8
69.98904	2.7
71.95218	2.1
72.08117	0.5
72.96011	1.1
74.97589	1.2
79.05447	1.5
81.03379	0.9
81.07038	2.3
83.08581	0.7
84.95995	1.0
85.02902	2.8
91.05412	1.6
93.06982	1.0
95.04974	0.6
95.08565	1.3
97.02859	1.2
97.96814	0.7
98.97566	0.5
99.04404	1.4
102.97069	0.5
103.03909	1.0
105.06996	1.2
107.08543	1.3
110.97574	0.8
119.08543	0.7
123.01157	1.4
123.04414	0.5
127.03905	2.4
127.89702	0.5
128.98616	2.6
133.01613	0.5
135.04442	0.6
135.11725	0.6
137.02695	1.0
141.02197	1.5
145.04947	0.9
146.99646	4.5
147.03265	1.3
147.04335	0.5
149.13246	0.6
151.70509	0.4
155.03720	2.1
157.01686	1.0
159.03171	1.4
161.01167	0.9
161.04785	0.5
165.00655	1.1
165.04335	0.6
167.03767	0.7
167.07037	0.8
169.01648	1.9
169.05325	1.2
171.03204	2.1
173.04810	1.5
175.02742	0.6
181.01808	0.7
181.05312	0.8
183.03255	1.0
185.04799	2.4
187.02736	2.5
189.04308	2.5
191.03889	0.4
191.05807	1.0
195.06946	0.7
197.01176	0.6
197.04822	0.6
199.06441	2.8
201.04253	0.7
203.03635	0.6
203.05843	3.2
203.07446	0.6
205.03693	0.6
205.05420	0.7
205.07231	0.9
207.06918	1.2
209.04823	0.9
210.04221	0.6
211.06412	0.8
213.07968	1.6
215.05881	0.6
217.07269	4.0
221.04883	0.6
221.06651	0.8
221.08473	1.6
225.07947	2.1
227.09523	1.0
229.09218	0.6
231.06917	0.6
231.08890	1.2
233.08568	1.2
235.06372	1.5
235.10193	0.6
237.07961	0.8
239.09590	3.3
241.10951	1.1
243.09012	1.3
245.10498	0.8
247.10040	1.1
249.08015	1.4
249.11467	0.5
251.09460	5.4
253.07335	0.7
253.11134	2.0
255.09006	1.9
257.10587	2.4
259.10001	1.7
261.11703	0.8
262.11172	0.6
263.09506	5.0
265.11111	3.0
267.09042	0.8
269.10565	3.7
271.12296	0.8
275.09528	1.9
277.11108	18.0
278.11194	1.1
279.12564	4.9
281.10556	11.6
282.11133	0.7
283.12122	1.8
289.11057	0.7
291.12573	3.4
293.07889	0.7
293.10925	0.9
293.14240	1.9
295.12149	6.3
297.13770	2.6
297.72168	0.5
299.11618	7.3
300.12622	2.6
304.12137	1.8
307.12210	1.3
307.15738	0.6
309.13721	1.0
313.14603	1.7
321.07529	1.3
323.05396	0.8
331.15756	55.9
332.16040	2.2
336.06213	1.0
338.07782	1.3
349.16830	100.0
350.17120	4.0
351.08591	1.5
353.10172	23.1
354.10458	2.3
354.17307	0.8
367.17889	97.7
368.18179	3.6
372.13702	0.8
372.18445	17.4
373.18832	0.9
385.18881	2.9
390.19492	25.7
391.19836	1.7
411.14224	1.4
463.30484	1.8
573.31305	0.6
641.37164	4.3
659.38202	34.9
660.38495	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	659.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01867	5.0
55.05511	9.1
57.03435	22.4
57.07074	2.2
59.04985	1.1
61.02924	79.2
65.03935	1.6
65.15131	0.8
67.05502	33.1
67.33155	0.7
69.03426	29.0
69.07064	6.9
71.01342	3.2
71.04987	5.6
73.02915	26.9
75.04492	1.7
79.05491	20.8
81.03416	21.4
81.07053	39.4
83.01319	1.0
83.04982	5.2
83.08610	4.2
85.02901	100.0
85.06519	1.4
87.04472	3.4
91.03951	61.5
91.05477	16.2
93.07043	27.0
95.04989	4.8
95.08604	28.1
97.02889	78.5
97.06528	2.2
97.10168	1.6
99.00787	1.0
99.04455	13.0
99.08078	1.4
101.02386	7.4
103.03937	8.4
105.07026	10.6
107.04954	1.6
107.08594	13.2
109.02871	12.7
109.06533	2.6
109.10152	14.1
111.04414	3.6
111.08101	1.6
115.03925	6.3
115.84034	0.7
117.05495	3.3
117.06998	5.4
119.08575	10.2
121.06493	0.7
121.10137	14.9
123.04437	0.7
123.08068	1.3
123.11710	6.5
125.09612	1.2
127.03909	37.0
128.69162	0.8
129.05481	7.0
129.07005	1.9
131.08551	9.7
133.10121	9.2
135.11693	9.7
137.05966	1.1
137.09630	1.2
137.13257	1.9
139.11189	0.9
141.05460	0.7
141.07010	0.8
143.07146	1.2
143.08563	1.4
145.04956	24.4
145.10098	9.0
147.04323	0.8
147.06509	1.1
147.08134	0.8
147.11635	5.8
149.09599	1.8
149.13251	5.9
151.11127	0.9
155.08582	1.4
157.10127	2.4
159.06514	2.2
159.11682	8.2
161.09566	0.8
161.13246	5.5
163.06024	8.4
163.11365	0.7
163.14841	3.0
165.12802	0.9
169.10175	1.1
169.74368	0.7
171.06596	1.3
171.11697	2.2
173.13243	7.2
175.14862	1.5
177.16434	1.7
177.67183	0.8
179.14249	0.8
183.06534	6.2
185.13321	2.5
187.14879	3.0
195.11601	0.9
199.11270	0.8
201.07610	5.2
205.16008	1.0
211.14745	0.8
213.16434	1.0
225.12952	0.9
230.10248	1.0
233.22563	1.1
241.19427	1.1
243.21162	4.1
259.20575	2.5
261.22134	16.3
271.20605	0.8
273.22104	1.3
277.21606	1.6
285.22205	0.8
301.21747	0.8
303.23227	3.0
315.23093	1.8
317.24774	1.1
327.23154	1.7
333.24426	1.3
335.25797	67.6
341.24747	1.2
345.24002	1.6
351.23203	1.2
363.25281	3.2
369.24210	2.4
377.26868	1.4
387.09039	0.8
387.25375	1.8
443.27997	3.9
461.28979	3.7
479.30032	11.6
497.31219	2.1
659.25757	1.2
659.35980	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	659.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01835	0.7
55.05480	0.6
57.03431	1.4
57.35545	0.2
61.02923	1.3
67.05504	1.4
69.03426	4.8
69.07029	0.6
70.40287	0.3
70.40610	0.9
71.04957	0.5
72.08146	0.3
73.02898	1.2
79.05453	0.7
81.03415	2.4
81.07053	2.1
83.04919	0.5
83.08579	0.4
85.02898	9.3
85.06509	0.5
87.00812	0.5
87.04420	1.0
89.03876	0.6
89.06005	0.4
89.45712	0.2
91.05433	0.9
93.06986	1.0
95.04937	0.3
95.08615	1.9
97.02897	3.5
97.06520	0.3
99.04414	1.1
105.07015	1.2
106.52058	0.2
107.04900	0.4
107.08544	0.8
109.02885	1.9
109.06506	0.4
109.10114	0.8
115.03905	0.4
117.03343	0.7
117.06978	0.4
119.04942	0.5
119.08537	0.7
121.10105	0.5
123.04369	0.3
123.08092	0.3
123.11678	0.5
127.03915	2.9
129.06984	0.4
131.04887	0.3
131.08517	0.4
133.10075	0.5
134.03622	4.5
135.04411	0.4
135.08038	0.3
135.11658	0.3
137.05894	0.7
137.13142	0.3
139.07498	0.2
145.04921	0.8
145.10069	0.4
147.04433	1.3
147.11600	0.3
149.05928	0.6
149.13144	0.3
151.03857	0.8
151.07547	0.4
153.01796	0.3
153.05420	0.4
157.10114	0.4
159.02913	0.3
159.08022	0.3
159.11761	0.3
163.03888	0.2
163.07454	0.4
165.05424	0.6
165.09047	0.4
167.07010	1.6
171.04402	0.6
171.06512	0.3
173.13269	0.3
185.05936	0.5
187.07530	0.3
189.05473	2.5
195.02823	0.3
199.07497	0.3
201.05478	0.4
202.06091	0.4
202.07747	0.6
203.06828	0.2
207.06496	0.3
212.04585	0.4
213.05417	1.3
217.10136	0.7
218.11813	0.2
219.08153	0.4
230.05623	0.6
231.06310	0.5
233.09715	0.3
234.10384	0.3
244.08932	0.3
245.09644	2.4
247.07501	1.1
248.08302	0.3
253.04990	0.3
261.09039	1.1
262.09946	1.5
265.04919	0.3
269.08069	0.2
272.08347	0.6
273.09064	1.8
274.09711	0.3
275.06961	0.8
276.07675	0.4
282.05316	0.4
283.06073	0.4
285.07574	0.3
289.08554	2.0
290.09286	2.5
291.06772	0.3
291.09958	0.6
292.07101	0.4
293.04443	0.3
293.07904	0.5
297.07700	0.4
299.05164	0.4
300.07800	0.5
301.08585	2.5
303.06564	0.4
305.08279	0.4
305.11658	0.9
307.06320	0.4
307.09570	1.2
309.07480	0.8
310.04684	6.1
310.08151	0.4
311.05252	0.5
312.05905	0.3
313.06976	0.7
315.10123	0.4
317.08017	1.0
318.08853	5.5
319.09564	0.8
321.07449	0.9
322.04639	1.6
322.08417	1.5
323.09055	0.6
324.06149	0.7
325.07037	17.8
326.07516	0.7
327.08667	1.1
328.07321	0.5
329.08090	2.9
330.08649	0.4
332.10468	0.3
333.07224	0.5
333.11182	7.9
334.11560	0.4
335.09091	1.0
336.06219	0.6
336.09882	1.2
337.07507	1.8
337.10092	1.7
339.08701	2.3
343.09537	0.5
345.07513	2.2
346.08340	15.5
347.08917	1.2
349.06943	1.1
349.10831	0.6
350.07620	0.6
351.08551	1.2
351.12314	0.7
352.08911	0.3
352.12640	0.5
353.12982	0.5
357.09750	0.3
359.08899	0.4
361.10687	41.8
362.11240	1.4
363.08487	2.0
363.12283	0.5
364.09399	14.8
365.09827	1.0
367.07666	0.3
367.11771	3.7
375.12183	0.7
377.10007	0.3
378.11002	1.2
379.11737	100.0
380.12088	3.7
381.13358	2.8
393.13336	4.9
394.13635	0.4
397.12823	2.8
403.11893	0.8
411.14395	11.1
411.19855	0.6
412.14734	1.0
421.12747	1.4
425.15939	0.7
427.14026	0.4
443.31534	0.6
445.12799	0.3
461.32510	0.4
479.20663	32.0
480.20740	1.4
487.12363	0.7
489.13589	0.4
497.22015	0.5
541.17029	45.3
542.17474	1.9
559.18079	0.8
587.21002	2.4
641.25970	29.1
642.26843	1.5
659.22668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2342
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05506	0.7
67.05476	1.5
69.07068	0.8
79.05468	0.7
81.07063	1.5
83.07235	0.7
91.05488	1.1
93.07055	1.7
95.05021	0.7
95.08588	1.6
102.34441	0.7
103.19347	0.8
105.07033	1.5
107.08581	1.1
109.10127	0.8
119.08572	0.9
121.10144	0.8
133.10126	1.0
173.97446	0.8
198.33795	0.8
385.13062	1.6
386.13394	1.2
399.14648	2.0
400.15265	4.5
401.16177	1.6
407.11356	1.2
408.12192	1.0
410.14185	1.4
411.15085	0.8
412.15320	1.0
413.16055	2.0
414.17389	3.3
421.12964	2.2
422.13812	3.9
423.14392	4.8
424.15375	2.0
428.16650	1.3
429.19046	2.3
435.14536	3.3
436.15439	4.3
437.16190	11.3
438.16888	2.9
441.15509	2.0
442.16623	1.0
449.16711	1.0
450.17679	3.5
451.18488	4.2
452.18402	2.7
453.15744	1.1
455.17471	1.5
456.17630	0.8
457.17188	0.9
463.14136	1.3
464.14636	2.1
465.15399	3.1
465.19812	2.4
466.16153	1.0
467.17084	2.8
469.15207	1.9
470.16055	1.0
477.15643	1.4
478.16406	3.6
479.17514	3.8
480.18237	4.8
481.14328	1.0
481.19315	1.1
482.15411	1.2
483.16544	3.3
484.17050	1.9
493.19205	8.4
494.15768	3.0
494.20657	1.4
495.16257	4.9
496.17227	2.8
498.15271	2.8
506.15881	1.3
507.16666	2.3
508.17355	6.2
509.18460	5.1
510.15802	1.0
511.19949	2.8
512.16339	7.6
516.23535	1.4
521.18219	11.9
522.15576	3.3
524.16602	1.0
525.17639	2.0
526.14935	1.1
538.18579	1.3
539.19012	4.4
540.19904	3.7
543.22412	4.0
549.18073	1.3
553.20764	18.8
563.20306	0.7
571.21985	4.5
571.95709	0.8
572.22162	3.5
581.20276	42.5
582.20837	1.2
599.21124	18.5
600.21930	3.2
613.22852	22.3
614.23444	0.8
622.22998	5.8
627.20544	1.9
631.24005	5.4
641.22394	100.0
642.22473	3.2
659.23358	35.4
660.23657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01867	1.0
55.05515	1.6
57.03437	1.1
57.07050	0.6
59.04985	0.4
59.63812	0.2
61.02910	0.8
65.03928	0.4
67.01877	0.3
67.05505	2.9
68.99784	0.4
69.03082	0.4
69.03429	6.5
69.07064	2.1
70.06571	0.6
71.01323	0.3
71.04990	1.1
71.12801	0.4
71.13156	0.3
72.08137	0.7
73.02894	0.9
79.05501	1.3
81.03415	5.6
81.07058	5.1
83.04958	0.8
83.08610	0.6
84.08136	0.3
85.02901	8.4
85.06551	2.1
86.09681	0.3
87.00829	2.0
87.04423	0.4
91.03960	0.2
91.05466	2.1
93.03382	0.2
93.07043	4.2
94.37438	0.2
95.04967	1.3
95.08036	0.3
95.08604	4.7
96.08916	0.2
97.02889	4.0
97.06510	1.0
97.10172	0.2
98.09679	0.6
99.04438	2.1
99.08060	0.5
101.05984	0.3
105.01844	1.1
105.03345	0.3
105.07022	1.9
107.04926	0.9
107.08596	3.0
109.02879	3.6
109.06512	1.2
109.10152	3.8
111.04459	1.6
111.08089	0.6
111.11649	0.3
112.07595	0.2
113.17134	0.2
115.03947	0.3
115.05383	0.2
117.01836	0.2
117.06987	0.2
119.04972	1.1
119.08571	1.6
121.02869	0.4
121.06465	1.2
121.10146	2.2
122.95472	0.2
123.04417	0.8
123.08083	1.0
123.11706	1.5
125.05973	0.6
125.09619	0.7
127.03918	6.8
127.07532	0.4
127.11150	0.3
128.06210	0.3
129.01852	0.5
129.06999	0.3
131.04890	0.4
131.08551	0.9
133.02820	0.3
133.06445	0.2
133.10132	1.5
134.03610	0.5
135.04414	0.5
135.08031	1.0
135.11664	1.5
137.05948	1.7
137.09627	1.3
137.13260	0.8
139.04013	0.2
139.07489	1.3
139.11182	0.4
141.05472	0.6
141.07039	0.3
143.08540	0.7
143.10626	0.4
145.04932	1.3
145.06490	0.3
145.10130	1.2
147.04390	1.9
147.07948	0.2
147.11726	1.2
148.04765	0.2
149.05998	1.7
149.09612	0.8
149.13231	1.3
151.03886	0.7
151.07538	2.6
151.11198	0.3
153.05450	0.8
155.07031	0.5
155.08459	0.3
157.10085	0.3
159.02898	1.2
159.07991	0.3
159.11681	0.7
161.05962	0.6
161.09654	0.3
161.13292	0.6
163.03856	0.4
163.07596	0.5
163.11166	0.6
163.14809	0.5
165.05487	1.9
165.06786	0.3
165.09114	7.7
166.06264	0.3
167.07040	19.4
168.07344	1.2
171.06538	0.4
171.08086	0.2
171.11670	0.4
173.06128	0.4
173.09575	0.3
173.13232	0.4
175.03891	0.7
175.07584	0.4
175.11191	0.7
175.14806	0.6
177.05464	0.8
177.09056	0.6
177.16495	0.3
179.06938	0.3
179.10654	0.6
181.04900	0.3
181.08568	0.6
181.10065	0.2
181.12177	0.3
183.06522	0.7
185.13359	0.2
187.06075	0.3
187.07527	0.3
187.11142	0.5
189.05473	0.4
189.07069	0.2
189.09041	0.6
189.12694	0.4
189.16327	0.3
189.57683	0.2
191.03448	0.2
191.06908	0.3
191.10674	1.2
191.14325	0.5
193.04910	0.2
193.08508	0.5
193.12093	0.3
198.06714	0.3
199.07463	0.3
201.05486	0.5
203.07016	0.3
203.10687	0.4
203.17976	0.3
205.08554	0.2
205.12280	1.0
207.06528	0.9
207.10165	0.9
207.13637	0.3
209.08037	0.3
209.11632	0.4
211.07675	0.5
211.09583	0.3
213.05484	0.9
213.09016	0.2
215.10643	0.4
217.08743	0.3
221.11670	0.2
223.07585	0.2
226.06125	0.4
227.06996	0.9
229.04945	0.5
229.12117	0.3
231.04848	0.4
233.04402	0.3
233.11687	0.3
241.12233	0.3
247.05864	1.1
261.09116	0.3
262.08383	0.3
267.06613	0.3
271.06058	0.3
277.08746	0.3
279.06500	0.4
283.06064	0.6
284.06705	0.3
287.05402	0.6
287.10770	0.2
289.08707	0.5
292.15714	0.3
293.08093	0.5
293.11688	0.2
295.05841	0.6
295.09674	0.3
296.06717	0.5
303.10040	0.9
304.10919	0.4
305.11697	0.3
307.06406	0.4
307.09671	0.9
307.18759	0.2
308.06680	0.5
310.04721	0.4
311.05554	0.3
313.07080	1.8
317.08130	0.4
319.05930	0.2
321.07574	0.9
321.11212	0.7
322.08392	0.4
322.12015	0.3
323.05627	0.4
323.09113	1.3
324.06265	7.4
325.07040	2.7
326.07800	0.3
327.08755	0.4
327.13696	0.3
332.10507	0.5
335.05359	0.3
335.09018	3.0
336.06277	2.2
336.09955	0.6
337.06995	1.0
337.10602	0.4
337.19962	0.3
338.07834	0.3
339.08612	12.8
340.09262	0.3
343.09671	0.7
345.07535	0.5
346.08249	0.4
347.08896	0.3
347.12839	0.3
349.07028	1.1
349.10785	0.6
350.07800	0.8
350.11780	0.6
351.08649	3.4
351.12366	0.4
353.10092	0.8
357.09808	0.3
359.09116	0.9
360.09982	3.7
361.10706	0.7
362.07507	0.3
363.08615	6.2
363.12994	0.4
364.09390	1.5
365.10114	1.8
365.14108	0.4
369.09756	0.3
375.12241	8.8
376.12494	0.3
377.10147	1.5
378.10962	13.9
379.11642	0.8
381.09390	0.3
387.08383	0.2
393.13303	70.2
394.13721	1.7
395.11276	0.3
396.11923	0.7
411.14359	100.0
412.14752	2.7
423.10208	0.4
425.30505	1.1
436.43912	0.2
443.31769	3.0
453.15576	0.6
460.31433	0.2
461.16000	0.4
461.32999	4.6
479.16553	1.2
479.34073	3.3
496.33203	0.2
497.18216	1.1
497.34558	0.9
500.48599	0.2
615.33484	0.2
641.22729	1.0
659.19556	1.7
659.32196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	1.1
55.01819	0.7
55.05458	0.2
56.98685	0.2
57.03372	1.4
58.29348	0.2
59.04972	0.2
60.86621	0.2
61.02863	1.1
61.14580	0.2
61.72784	0.2
63.28717	0.2
67.05440	0.5
68.99784	1.0
69.03422	9.4
69.03760	0.5
69.07011	0.4
69.93798	1.1
71.01312	0.3
71.04984	1.0
73.02911	1.5
79.05450	0.3
81.03408	7.2
81.03850	0.3
81.06984	0.8
83.01290	0.2
83.04906	0.2
83.08576	0.3
85.02895	11.3
87.00822	3.8
87.04424	0.3
91.03900	0.2
91.05422	0.2
95.08554	0.5
97.02881	3.9
98.20784	0.2
99.04453	2.1
101.02284	0.2
103.03859	0.7
105.01848	2.0
105.06994	0.4
107.04914	0.3
107.08543	0.3
109.02864	5.2
109.10098	0.4
115.03853	0.4
117.01814	0.3
117.37485	0.2
119.04888	0.3
119.08553	0.2
121.10185	0.2
123.04339	0.8
127.03900	7.6
128.06213	0.2
129.01840	1.0
131.04800	0.3
133.02802	0.3
135.04372	0.2
137.02312	0.3
137.05878	0.7
145.04866	2.0
145.06082	0.4
145.10005	0.4
147.02838	0.5
147.04448	0.4
147.07973	0.3
149.05890	0.8
149.13202	0.2
150.03104	0.3
151.03799	0.7
153.01799	0.2
159.02797	1.7
159.04176	0.4
159.07985	0.3
163.03857	0.4
165.05510	1.1
167.07013	0.5
167.08369	0.2
171.07997	0.4
187.07420	0.4
191.03284	0.3
195.08070	0.3
199.07494	0.3
200.08322	0.5
201.05354	0.2
201.09070	1.2
202.09811	0.2
203.03331	0.3
203.07031	1.0
213.03761	0.3
215.03297	0.3
216.04071	0.2
227.07005	2.2
229.04979	1.3
231.04712	0.9
241.08423	0.3
244.07191	0.4
245.08008	0.6
259.11115	0.2
279.06656	0.2
279.09857	0.3
280.07166	0.2
285.07397	0.5
287.10556	0.3
291.06458	0.3
291.09698	0.2
293.08188	0.4
296.06717	0.3
303.10107	0.5
305.08157	0.2
305.11523	0.3
307.06143	0.2
307.09647	0.9
308.06699	0.2
309.07440	0.6
310.08160	0.3
313.07071	0.6
317.07941	0.3
319.09421	0.3
321.07462	1.0
321.11115	0.5
322.12134	0.3
323.09042	0.5
324.06210	1.7
325.07007	0.7
325.10468	0.4
326.07581	0.2
327.08490	1.0
331.09467	0.3
332.10397	0.3
333.11176	0.3
335.05252	0.4
335.09070	4.5
336.06323	0.7
336.09793	0.4
337.06873	0.5
337.14404	0.3
339.08585	3.0
344.10043	0.2
345.07443	0.5
346.08304	0.8
347.09085	0.4
347.12808	0.3
349.06940	1.2
349.10706	0.7
350.07724	0.4
350.11624	0.5
351.08640	1.7
351.12329	0.4
353.10135	0.4
359.08896	0.5
360.09952	1.7
361.10760	1.5
363.08539	6.1
363.12384	0.6
364.09171	0.5
365.09933	0.6
365.13956	0.6
373.10568	0.2
375.12299	2.5
377.10068	1.7
377.14005	0.2
378.10956	8.2
379.11478	0.6
381.13339	0.5
391.11688	0.9
392.12497	0.3
393.13266	72.1
394.13657	2.3
403.85953	0.2
409.12704	0.3
411.14331	100.0
412.14685	4.0
412.19754	0.4
417.12997	0.4
435.14185	2.3
453.15500	0.6
461.32428	0.4
497.17758	0.3
537.18121	0.4
573.19733	2.7
597.19818	0.3
641.18347	1.3
659.19623	9.6
660.19861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75176	2.5
54.71592	2.4
56.46825	2.3
68.69299	2.5
71.62733	2.9
79.30441	2.7
89.01859	2.5
91.69138	2.5
109.00140	2.3
133.79332	2.6
235.69058	2.8
249.13870	3.0
258.19733	2.6
379.19534	4.3
382.41037	3.0
391.19308	4.1
407.22897	3.3
409.19958	7.8
421.19904	5.4
423.21912	14.5
435.21652	8.2
436.22528	4.1
451.20810	4.9
461.23026	7.7
463.20825	3.2
465.22635	4.3
477.22531	6.7
479.24402	5.8
481.22321	3.7
495.23795	12.0
496.24515	3.5
507.23279	2.9
508.24823	12.5
509.25604	13.0
510.26218	10.4
511.26852	11.2
521.25507	5.0
523.23804	3.6
537.24799	10.3
538.25476	7.4
553.28143	4.0
570.28418	6.0
581.27423	15.7
583.25122	4.6
597.26996	37.7
598.27704	5.5
613.30188	56.5
618.70532	3.0
625.26508	100.0
641.31824	3.3
657.28986	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	659.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01863	0.9
55.05498	0.1
57.03429	0.9
61.02919	0.9
67.05489	0.3
68.99777	0.9
69.03418	7.2
69.07064	0.1
70.06582	0.1
71.01336	0.2
71.04989	0.7
73.02908	1.1
78.34133	0.1
78.42147	0.1
79.05479	0.1
81.03407	5.8
81.07039	0.3
83.01322	0.2
85.02892	10.5
85.06540	0.1
87.00817	3.7
87.04439	0.2
91.03925	0.2
91.05458	0.2
93.07017	0.2
95.04920	0.1
95.08580	0.2
97.02878	3.1
98.20777	0.2
99.00793	0.1
99.04437	2.1
101.02357	0.2
103.03916	0.5
105.01851	1.8
105.07004	0.2
105.74673	0.1
107.04941	0.1
107.08575	0.2
109.02863	4.6
109.06539	0.1
109.10145	0.2
115.03927	0.2
117.01109	0.1
117.01801	0.4
119.08543	0.1
121.02798	0.1
121.10127	0.1
123.04414	0.3
123.11624	0.1
127.03897	6.7
128.06192	0.1
129.01828	0.9
131.08580	0.1
133.02824	0.2
134.03635	0.3
135.04437	0.1
137.02388	0.1
137.05942	0.2
142.07643	0.1
145.04933	1.6
145.10066	0.1
147.02870	0.5
147.04379	0.1
149.02383	0.1
149.06003	0.2
150.03094	0.1
151.03902	0.4
151.07498	0.2
153.01842	0.1
153.05492	0.1
159.02859	2.0
159.04243	0.1
161.06010	0.2
163.03888	0.1
163.07516	0.1
165.05499	0.2
167.07037	0.2
167.08440	0.1
169.06461	0.1
170.07323	0.1
171.02896	0.1
171.06599	0.1
171.08098	0.1
175.03906	0.1
177.04030	0.1
177.05611	0.1
183.07993	0.1
185.05904	0.1
189.03970	0.1
195.02895	0.1
195.08148	0.1
198.06728	0.2
199.07591	0.2
201.05450	0.2
203.03336	0.1
203.06978	0.2
211.07547	0.1
213.03740	0.2
213.05475	0.5
216.07730	0.1
223.07491	0.1
226.06116	0.2
227.06966	0.5
229.04945	0.4
229.08427	0.1
231.04939	1.1
233.09735	0.1
241.08510	0.1
241.13454	0.1
243.06425	0.1
244.07240	0.1
245.07965	0.2
247.05876	0.5
251.06903	0.1
253.04951	0.1
255.06577	0.3
259.11450	0.1
261.09119	0.2
262.08401	0.2
263.06964	0.1
267.06384	0.1
269.09631	0.1
275.10614	0.2
276.11295	0.1
279.06375	0.2
283.06024	0.1
285.07544	0.1
287.10406	0.2
289.08530	0.3
290.09222	0.1
291.06601	0.1
291.10132	0.1
293.07980	0.4
294.08716	0.1
295.05936	0.1
295.09366	0.1
296.06744	0.1
303.10114	0.6
304.10864	0.2
305.08276	0.1
305.11725	0.2
307.05920	0.2
307.09576	0.5
308.06717	0.3
309.07523	0.3
310.04660	0.1
311.05429	0.1
313.07080	0.3
315.10263	0.2
317.07938	0.1
319.09482	0.2
321.07492	0.7
321.11176	0.5
322.11929	0.3
323.05469	0.3
323.09055	0.6
324.06219	4.0
325.07040	0.8
326.07791	0.2
327.08722	0.2
331.09604	0.3
332.10309	0.4
333.07565	0.1
333.11212	0.2
335.05371	0.1
335.09064	1.6
336.06201	1.4
336.09851	0.3
337.07016	0.6
337.10477	0.2
337.14230	0.1
338.07718	0.1
339.08575	7.2
340.09024	0.2
342.08749	0.1
343.09531	0.5
345.07541	0.3
345.11176	0.1
346.08112	0.2
347.09000	0.2
347.12970	0.2
348.10065	0.1
349.06982	0.8
349.10760	0.4
350.07697	0.7
350.11441	0.4
351.08578	2.3
351.12253	0.3
352.09125	0.2
353.10086	0.3
357.10397	0.2
359.09082	0.6
360.09830	2.7
360.14328	0.1
361.10608	0.6
363.08551	3.8
363.12344	0.3
364.09311	1.0
365.10080	1.0
365.14069	0.3
369.09726	0.3
375.07434	0.2
375.12238	4.7
377.10211	0.9
378.10913	8.9
379.11557	0.5
381.09515	0.3
381.13660	0.2
383.15152	0.1
391.11676	0.3
393.13260	31.3
394.13983	0.8
396.11932	0.6
397.12817	0.5
409.12665	0.2
411.14301	100.0
412.14655	1.7
417.12943	0.1
435.14166	0.6
441.15259	0.2
453.15424	0.5
461.32626	0.1
519.16687	0.1
573.19165	0.2
603.20306	0.3
615.20770	0.6
641.18604	0.2
659.19220	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	657.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47531	0.6
53.71632	0.7
70.04585	3.3
74.46780	0.7
88.24561	0.5
89.12058	0.7
98.21407	1.0
110.23857	0.6
132.08110	0.8
146.09656	0.9
149.14409	0.6
150.40434	0.6
160.07623	0.8
187.78784	0.6
209.10718	1.0
211.12364	1.0
214.38145	0.6
220.09897	0.8
221.10695	1.2
222.11496	0.8
223.12340	1.1
233.10883	1.1
235.12502	0.9
237.13983	0.9
247.12408	1.4
249.13882	2.3
258.11603	0.8
259.12390	1.0
260.13193	0.8
261.13870	2.2
262.13663	1.0
269.12952	0.9
273.13937	1.5
274.13409	1.1
275.15271	0.8
277.16553	0.7
286.13373	0.8
287.15378	1.1
288.16061	1.2
294.73367	0.6
299.86182	0.6
303.14075	0.9
304.14462	0.8
314.16504	1.0
316.14642	0.9
317.14905	0.7
318.16052	1.3
337.15274	0.9
338.16672	0.9
339.17194	0.7
340.18097	1.5
342.19672	1.0
344.32202	0.6
350.16202	1.0
351.16736	1.2
352.18097	1.4
353.18665	1.0
362.16418	1.4
363.16422	1.1
364.17578	1.2
365.17868	2.2
366.19598	1.7
371.16489	0.7
374.16360	1.1
375.16498	1.1
376.18021	2.0
377.17993	2.2
378.19406	1.1
379.19424	3.8
380.20947	0.8
381.20761	1.9
389.17825	1.1
390.19193	1.1
391.19666	4.3
392.20581	3.1
393.16891	1.9
393.20886	2.3
394.18155	1.5
395.18604	1.4
395.23135	1.0
404.16229	0.9
405.20840	2.5
406.21597	2.5
407.18469	2.7
407.23288	3.6
408.19199	3.4
409.20190	5.2
410.18555	1.0
412.20593	0.9
417.17398	1.8
418.18454	0.7
419.18243	1.7
419.23010	1.4
420.19211	1.0
421.19397	4.0
421.24387	2.2
422.21164	4.0
423.21857	18.1
424.21994	2.4
432.19522	1.1
433.20370	2.4
434.21170	2.0
435.22253	7.6
436.22845	5.0
437.24197	3.3
438.24210	0.7
442.21335	2.0
444.22705	0.7
445.20657	0.9
446.21176	2.5
447.21814	2.7
448.19418	0.7
449.24207	4.9
450.23788	3.1
451.20587	4.2
452.22226	2.3
453.22964	1.3
454.20056	5.4
456.23349	0.9
461.23773	7.7
462.21210	2.5
463.21210	4.1
464.22034	2.5
465.23639	3.6
466.22632	2.3
467.25351	3.9
468.25534	3.2
469.26578	0.9
475.21179	0.8
476.22098	1.7
477.23001	7.3
478.24271	4.4
479.25162	6.4
480.22763	1.9
481.22232	3.7
482.22910	1.0
491.20670	1.5
492.21777	1.2
493.22479	7.0
494.27435	4.7
495.23538	13.4
496.24802	5.7
505.21951	1.1
506.22855	1.4
507.24051	2.7
508.24802	15.9
509.25745	14.4
510.26505	11.3
511.27246	13.0
516.24811	1.5
519.23718	2.1
521.25348	5.5
522.26428	4.5
523.23096	5.1
524.23993	1.1
525.28394	2.3
526.29346	1.6
537.25092	19.1
538.25714	8.5
539.26196	1.5
549.25024	1.1
551.23102	1.8
553.28436	7.9
554.25763	1.2
555.25958	3.3
565.24426	3.4
566.25269	2.0
570.28143	3.1
581.27490	18.6
582.27026	2.3
583.25488	6.2
596.27820	1.0
597.27039	41.2
598.27643	6.2
607.25500	2.3
613.30188	75.4
614.30463	5.3
625.26532	100.0
626.27191	5.6
657.29303	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	657.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.1
55.05506	1.7
57.03426	2.0
57.07056	0.5
59.04980	0.5
61.02927	2.1
67.05499	3.2
69.03425	9.4
69.07063	3.1
70.06552	0.5
71.04944	1.2
71.62860	0.7
72.08109	0.7
73.02877	1.4
79.05447	1.1
79.97087	0.3
81.03412	3.7
81.06587	0.4
81.07050	5.3
83.04937	1.3
83.08582	0.8
84.08102	0.4
85.02898	17.1
85.06540	8.3
87.04414	1.2
87.56168	0.3
91.03896	1.0
91.05476	2.3
93.07041	4.2
95.04917	1.1
95.08051	0.4
95.08598	5.5
97.02884	6.0
97.06467	0.6
97.10133	0.7
99.04470	1.7
101.02341	0.4
103.05406	0.6
105.07017	2.7
107.04904	1.1
107.08579	2.9
109.02885	3.0
109.06477	0.7
109.10164	3.4
111.04391	1.3
111.08063	0.8
115.05392	0.6
117.03337	1.4
117.06979	0.5
119.04894	1.1
119.08567	1.7
121.02763	0.4
121.06437	1.1
121.10109	1.8
123.04379	1.0
123.08049	0.8
123.11689	1.7
125.05946	0.4
125.09587	0.6
127.03083	0.4
127.03921	5.3
129.06985	0.5
131.04893	0.7
131.08540	0.9
133.10074	1.5
134.03590	1.0
135.04395	0.8
135.07974	1.1
135.11629	1.4
137.05948	1.9
137.09608	0.6
137.13229	0.6
139.07477	1.2
139.11128	0.4
145.04909	2.1
145.06215	0.4
145.10062	1.1
147.04422	2.2
147.07993	0.5
147.11626	1.3
149.05942	1.5
149.09578	0.6
149.13225	1.1
151.03856	1.0
151.07539	2.1
153.05423	1.7
155.06845	0.3
157.10103	0.7
159.04333	0.4
159.11650	0.8
161.05957	1.1
161.09567	0.4
161.13206	0.7
163.03833	0.6
163.07498	0.4
163.11160	0.6
163.14787	0.4
165.05424	1.5
165.06793	0.4
165.09091	2.0
165.12718	0.4
167.07031	14.4
168.07343	0.7
169.09909	0.3
171.06432	0.4
173.13222	0.4
175.07587	0.7
175.11238	0.4
175.14816	0.5
177.05472	0.4
177.12778	0.5
179.06996	1.1
181.04951	0.8
183.06502	0.4
187.11186	0.5
189.09071	1.0
189.12729	0.4
189.16266	0.4
191.06993	0.5
191.10660	0.9
193.08582	0.4
195.02823	1.0
197.13261	0.4
199.11223	0.4
203.10626	0.4
203.17912	0.5
205.08507	0.4
205.12173	0.6
207.10103	0.8
209.06023	0.5
213.05327	0.4
215.10609	0.4
228.04115	0.6
229.04944	0.8
241.08543	0.4
249.18469	0.5
253.04956	1.4
255.06340	0.4
265.04904	0.6
269.08124	0.6
271.05862	0.4
277.08643	0.6
282.05148	1.1
285.18063	0.3
289.08673	0.6
293.04474	0.8
293.08127	0.4
298.04663	0.5
303.17133	0.4
305.08072	0.9
306.08884	0.6
307.09375	0.5
308.10391	0.9
309.03912	0.5
309.07468	1.2
310.04700	23.4
311.05225	0.9
313.07111	2.4
317.08261	0.5
319.09564	0.5
321.11179	0.5
322.04666	0.7
323.09399	0.6
323.12753	3.1
324.06152	0.9
325.07043	93.6
326.07401	1.6
327.08670	1.2
331.09601	0.4
333.11313	0.9
334.08289	2.0
335.09088	1.1
336.09714	0.5
337.07077	2.1
338.07642	0.5
339.08572	2.4
344.06808	1.5
345.07492	0.5
346.08197	0.9
347.08966	0.5
349.07034	0.7
349.10678	3.5
350.07700	0.8
351.08566	0.8
351.12271	6.9
353.10159	1.4
359.09180	1.5
360.09982	0.5
361.06778	0.5
361.10712	1.6
362.07809	5.2
363.08725	0.9
364.09283	1.5
365.10172	1.6
366.10379	0.5
367.08273	0.8
367.11795	12.7
375.12051	1.1
377.10175	24.1
378.10703	1.2
379.07437	0.5
379.11810	4.7
379.19006	1.5
383.11163	2.1
391.11920	0.5
393.13379	7.4
395.11243	18.3
396.11667	0.6
397.12708	0.4
407.18710	1.4
409.12912	1.2
413.30402	0.6
415.32278	0.5
423.29028	0.6
441.30029	2.5
459.18390	1.0
459.31021	4.2
477.19077	10.7
477.32071	3.7
495.20135	100.0
496.20480	4.3
528.20349	0.9
543.19574	0.4
555.18835	0.6
557.16425	0.7
585.20044	0.4
639.24268	12.5
640.24683	0.7
657.19574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94051	0.4
53.03890	1.4
53.70625	0.4
55.05452	1.6
57.03373	2.7
57.07032	0.7
59.04961	0.7
61.02860	2.6
65.03895	0.7
67.05502	3.0
67.98328	0.4
69.03425	12.0
69.03766	0.6
69.06998	2.6
70.06547	0.7
71.04929	1.2
71.62840	0.6
72.08105	0.6
73.02906	2.1
73.03218	0.6
76.32637	0.4
79.05495	2.1
79.05823	0.5
81.03407	5.1
81.07050	5.2
83.04922	0.9
83.08569	1.0
85.02900	20.3
85.03379	0.8
85.06537	37.0
85.07025	1.3
86.05020	0.5
87.04448	2.1
91.03899	1.0
91.05470	3.5
93.07042	4.7
94.49122	0.4
95.04900	1.8
95.08595	3.4
97.02887	8.2
97.06446	0.8
99.04447	2.1
101.02322	0.6
105.07042	2.2
105.07556	0.5
107.04852	1.2
107.08580	2.4
109.02875	3.2
109.06435	1.4
109.10152	3.6
111.04411	0.9
111.08005	1.5
115.03864	0.7
117.06974	0.6
117.74480	0.4
119.04867	0.8
119.08494	1.9
121.06479	0.9
121.10126	2.2
123.04331	0.7
123.08022	1.0
123.11629	1.5
125.05937	0.8
125.09571	0.7
127.03910	6.1
128.06224	0.7
129.06961	0.8
131.08493	0.9
133.10042	1.8
134.03629	2.3
135.04337	1.0
135.08020	1.2
135.11626	1.3
137.05943	2.5
137.13220	0.4
138.57153	0.4
139.07478	0.8
143.08498	1.0
145.04890	1.9
145.10060	0.8
147.04330	1.9
147.11667	0.8
149.05878	1.4
149.09554	0.6
149.13206	0.6
151.03813	1.4
151.07530	2.0
153.05415	1.2
157.06310	0.4
157.10074	0.8
159.07959	0.7
159.11644	0.9
161.09601	0.5
161.13138	0.8
163.03819	0.6
163.11108	0.5
165.05399	1.4
165.06709	0.4
165.09062	0.6
167.07021	7.7
171.11609	0.6
173.13159	0.6
175.04030	0.6
175.14670	0.5
177.05380	0.6
179.07050	0.5
181.05000	1.0
186.65941	0.4
189.05376	1.7
189.12701	0.5
193.12126	0.5
197.05922	0.7
201.05312	0.7
203.10605	0.8
207.06541	0.7
211.07414	0.6
213.05617	0.9
215.03383	0.7
216.13730	0.5
217.08536	1.1
223.07468	0.6
230.05627	0.5
231.06522	0.9
232.26384	0.4
237.09094	0.5
245.09573	1.1
246.10338	0.5
251.06670	0.5
261.09189	0.8
262.09845	0.8
263.07117	0.5
273.09036	0.7
287.10678	0.5
289.08569	0.8
290.09317	1.5
291.10114	0.7
293.04355	0.7
298.04715	0.8
299.05423	0.6
301.08481	1.0
303.09958	0.5
305.11768	0.6
307.09631	0.9
309.07513	0.7
310.04572	2.8
313.07080	1.2
317.08121	0.7
318.08853	2.8
321.07614	1.2
322.04633	1.5
322.08035	0.5
323.05478	1.2
323.09067	1.0
324.06348	2.8
325.07022	9.1
326.07794	0.7
327.08929	0.6
329.07962	1.3
331.09763	1.0
333.11118	3.7
335.08951	1.1
336.06195	1.1
336.09860	1.1
337.06970	3.0
337.10605	0.9
338.07611	0.5
339.04822	1.1
339.08572	7.5
341.06662	0.8
343.09579	0.5
345.07571	1.1
346.08289	7.8
347.09018	1.3
349.07028	1.2
349.10745	1.5
350.07648	0.8
351.08578	3.6
351.12192	1.0
352.09378	1.2
357.10239	0.7
359.09091	0.7
360.09927	1.4
361.10696	19.2
363.08447	2.6
364.09396	9.3
365.10208	1.6
367.11743	7.6
375.12375	4.9
377.10150	1.5
378.10980	3.8
379.11740	46.0
385.10419	0.6
391.11728	3.3
393.13290	37.8
395.11142	1.5
403.11786	1.3
405.13290	1.3
409.12747	1.5
417.13254	1.5
421.12830	1.2
429.13364	0.9
433.16888	0.7
435.14417	0.7
441.29755	1.3
444.15826	1.3
447.18454	0.7
459.18118	4.1
459.31027	3.2
477.19067	75.6
477.32175	3.3
478.19339	1.1
495.20117	100.0
496.20602	1.0
519.14514	0.7
541.16901	2.1
555.18842	0.7
621.34003	0.5
639.24390	21.2
657.24854	3.7
657.35773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03590	0.4
53.03931	0.8
55.01859	1.0
55.05496	1.5
57.03433	0.7
58.79982	0.3
61.02913	0.4
63.14410	0.3
65.03929	1.3
67.01851	0.4
67.05499	2.9
68.99783	0.9
69.03427	3.5
69.07057	2.2
70.06600	0.3
71.04985	0.8
72.08138	0.7
77.03931	0.3
77.98097	0.3
79.05487	2.1
81.02970	0.5
81.03413	5.2
81.07043	5.1
83.04965	1.3
83.08608	0.7
84.08121	0.7
85.02898	3.9
85.06543	1.4
86.09688	0.6
89.03902	0.4
91.05474	16.1
93.07032	3.5
95.04977	2.3
95.08599	3.8
97.02870	2.8
97.06523	1.2
98.09673	0.5
99.04438	1.6
99.08067	0.5
100.07558	0.4
103.05446	0.7
105.07023	2.3
107.04951	1.9
107.08577	2.3
109.02876	2.9
109.06514	1.0
109.10139	3.2
111.04430	1.8
111.08055	0.5
115.05483	0.5
117.07028	0.5
119.04935	24.7
119.08556	2.3
121.02900	0.7
121.06496	1.3
121.10130	2.1
123.00845	0.4
123.04420	22.2
123.08063	0.7
123.11699	1.1
124.03892	0.4
124.07593	0.3
125.05955	0.7
125.09622	0.9
127.03914	4.2
127.11128	0.4
129.06984	0.4
131.04855	0.7
131.08519	0.8
132.02051	0.8
133.02837	0.7
133.06465	0.7
133.10135	1.7
133.10974	0.3
135.04405	1.4
135.08038	0.6
135.11684	1.2
136.05222	0.5
136.07564	1.9
137.02371	0.3
137.05960	1.7
137.09615	1.5
137.13191	0.5
138.11627	0.3
139.03902	1.0
139.07532	0.7
140.07089	0.4
141.05276	0.4
143.08609	0.6
145.02827	1.2
145.04906	0.6
145.06511	0.5
145.10130	1.4
147.04396	22.5
147.08066	0.7
147.11661	1.1
149.02295	0.7
149.05963	1.2
149.09616	0.7
149.13214	0.7
151.03896	2.6
151.07487	2.0
151.11195	0.6
152.07069	0.6
153.01787	2.7
153.05461	0.9
155.07007	0.4
157.03954	2.0
157.06445	0.3
157.10010	0.4
159.04424	0.7
159.08031	0.6
159.11615	0.9
161.06007	0.7
161.09599	0.8
161.13286	0.5
163.03879	1.4
163.07495	0.8
163.11189	0.7
163.14764	0.5
164.04654	0.5
164.07024	2.3
165.05437	0.9
165.09097	10.0
167.03345	1.6
167.07025	4.4
169.04939	0.3
171.02907	2.0
173.05975	0.6
173.09543	0.4
173.13220	0.5
175.03896	41.7
175.14836	0.5
176.04430	0.4
177.05507	1.5
177.09105	0.4
177.16379	0.5
179.03400	5.2
179.06967	2.6
179.10687	0.6
181.04951	1.2
185.09628	0.3
185.13155	0.4
187.03900	2.4
187.07542	0.6
189.09090	0.8
189.12813	0.4
189.16290	0.3
190.09766	0.3
191.10669	0.7
191.17824	0.3
192.04126	0.6
193.04968	0.4
195.02953	0.6
195.06471	1.6
197.05942	0.6
201.05415	1.7
203.03252	0.3
203.10677	0.8
205.12242	1.2
207.06511	100.0
208.06767	0.7
209.08099	0.6
213.05498	0.5
213.09085	0.6
215.03445	0.3
215.06995	0.6
217.05017	0.3
217.12175	0.4
223.09628	1.0
225.05466	0.6
225.07497	0.7
229.04999	1.6
231.09996	0.3
231.13692	0.4
237.11128	0.5
239.06854	0.4
243.06435	0.6
247.14427	0.9
249.11246	0.7
253.04938	0.4
255.06561	0.7
267.06406	0.4
269.04489	0.5
270.04910	0.4
271.05994	19.0
272.06509	0.3
273.07535	1.8
283.06049	0.6
285.07510	1.4
287.05270	0.3
289.07022	8.3
291.16113	0.4
295.05991	0.8
297.07538	0.5
310.04578	1.5
311.05508	0.4
313.07126	1.2
323.05463	0.8
325.07065	4.4
327.08691	0.9
331.08020	1.1
337.07132	0.4
339.08398	0.9
341.06613	1.0
345.09665	1.1
349.10721	0.4
351.10864	5.8
353.10031	0.7
362.07816	0.4
369.11826	4.8
377.10315	1.7
379.11975	0.6
391.11703	1.2
395.11365	1.8
409.12482	0.5
423.28876	0.3
441.29846	0.9
453.11832	0.7
459.31226	2.1
476.30951	0.4
477.18732	1.0
477.32440	4.2
494.31757	0.4
495.12735	1.0
495.19922	1.8
495.33432	2.8
503.11829	0.6
570.27753	0.3
621.34540	0.4
639.19482	1.1
656.43103	0.4
657.23322	0.6
657.36932	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	656.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13689	0.6
55.01857	2.7
55.05258	1.0
55.05508	16.0
57.03422	2.5
59.05001	0.8
60.23849	0.6
61.02914	1.9
62.64626	0.6
65.03928	0.5
67.05164	1.0
67.05500	16.1
69.03434	3.2
69.07056	4.1
71.04968	1.6
71.61456	0.5
71.61858	1.1
72.49859	0.6
73.02911	1.0
79.05481	12.9
81.03423	3.3
81.07045	13.6
83.04964	3.0
83.08610	9.6
85.02906	4.2
85.06544	1.4
91.03934	1.2
91.05473	13.6
91.19611	0.6
93.03371	0.6
93.07037	7.4
93.66772	0.5
95.04961	3.9
95.08595	4.9
97.02902	2.0
97.06512	1.6
97.10160	16.5
99.04407	0.9
103.05451	6.3
105.03357	0.7
105.07023	11.7
107.04944	1.8
107.08579	9.4
109.02895	1.4
109.06493	2.3
109.10154	5.0
111.08041	1.0
115.05448	3.3
117.07018	20.0
117.07845	1.2
119.04947	1.0
119.08565	6.5
121.02905	0.7
121.06491	2.0
121.10107	2.8
123.04429	2.8
123.08081	1.2
125.09617	16.5
127.03909	2.6
128.06195	1.5
129.05518	1.0
129.06978	7.6
131.04857	0.7
131.08562	14.0
133.06497	3.2
133.10141	3.1
134.10561	0.6
135.08034	4.7
135.11679	1.1
137.05997	1.1
141.06963	3.7
143.08534	4.2
145.04918	0.9
145.06500	4.8
145.10118	5.8
147.04388	1.4
147.08067	2.0
147.11638	1.8
149.05981	0.9
149.09624	2.0
149.13245	0.9
151.03877	0.7
153.01811	0.7
153.06969	1.1
153.09103	1.9
155.08571	4.8
157.06500	2.5
157.10168	3.3
159.08080	2.2
159.11688	2.0
161.09566	0.8
161.13217	0.7
163.11171	0.8
167.07146	1.3
167.08595	1.9
169.10101	4.0
171.08075	2.3
171.10336	0.8
171.11617	2.8
173.09592	0.9
173.13219	1.0
175.11133	0.9
179.08498	1.1
181.10094	0.7
183.08080	1.1
183.11746	1.5
185.09589	0.6
185.13222	1.7
187.14775	5.1
189.11186	7.0
189.12740	0.9
195.08107	0.9
195.11699	2.5
197.13261	6.7
199.11122	1.4
201.12732	0.8
209.13277	1.5
211.14905	1.0
213.12802	2.0
215.14301	23.7
216.14583	0.9
217.87863	0.7
221.13193	1.3
223.14787	0.7
225.12639	1.5
227.12732	16.2
231.13634	1.0
233.15408	1.7
235.15018	0.9
237.12773	1.4
241.12247	1.9
241.15759	0.9
245.13846	1.1
251.14178	0.8
255.13905	0.6
257.15482	1.0
269.15332	1.4
271.16937	2.0
273.14755	0.7
308.13535	0.7
314.07840	0.7
321.21939	1.0
325.06824	0.9
331.20538	1.4
337.07211	1.1
338.07684	0.9
339.08740	1.9
339.23224	1.9
349.10486	0.9
349.21707	3.0
365.10306	0.8
367.22644	8.6
379.11948	0.9
385.23676	6.7
390.14117	1.1
403.24939	2.0
423.25372	0.7
432.68558	0.7
441.26328	47.8
442.26849	1.4
459.27380	100.0
460.27710	2.2
463.17679	0.8
476.31213	0.8
477.28461	11.0
494.18307	0.8
495.19788	1.4
656.20422	0.7
657.23389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	0.4
53.85878	0.4
54.20781	0.4
55.05306	0.3
55.05506	4.3
57.03426	4.3
57.07071	36.4
61.02920	8.7
67.05498	10.7
69.03414	1.3
69.07061	7.3
70.51620	1.0
71.04948	0.6
71.08627	28.4
71.20845	0.4
73.02910	3.0
75.04481	2.0
76.47954	0.4
79.05464	1.4
81.03400	0.6
81.07050	15.0
83.04971	0.5
83.08611	12.1
85.02419	0.6
85.02898	9.7
85.06508	0.6
85.10177	17.8
89.06034	1.5
90.45996	0.3
91.03944	7.9
91.05449	1.4
93.07027	1.5
95.04947	1.1
95.08599	22.0
97.02878	5.2
97.10157	5.4
99.04421	0.7
99.11717	1.0
103.03899	0.5
103.07563	1.0
105.07042	0.9
107.08551	1.5
109.02855	0.8
109.06504	0.4
109.10146	10.0
111.08064	0.6
111.11697	1.2
115.03935	0.6
119.08570	0.7
121.10151	0.5
123.11697	4.2
125.09613	0.7
125.13268	0.9
127.03915	3.9
128.74983	0.4
130.83118	0.4
131.08534	0.7
133.10153	0.9
137.13234	2.1
139.14781	0.7
145.04944	3.9
145.10104	0.8
148.72372	0.4
151.14847	0.7
163.06003	6.8
164.67937	0.4
165.16315	0.6
168.06494	0.4
178.30003	0.4
209.18892	0.5
221.22664	1.7
233.45537	0.4
239.23672	23.7
257.24686	4.3
273.18494	0.9
275.20026	0.6
275.25781	0.4
289.18237	0.4
291.19580	0.8
298.27469	1.3
311.26620	0.4
313.27338	100.0
314.27643	0.6
331.28403	20.8
372.85535	0.4
405.13315	0.8
407.14865	4.8
408.15338	0.6
457.31577	0.7
475.21646	0.6
475.32538	3.0
489.22818	0.8
534.22577	0.5
562.21393	0.7
577.24634	4.8
583.18842	0.4
637.26251	1.8
637.39575	0.8
655.27393	2.7
655.39008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75460	5.0
59.78079	4.5
61.73819	5.2
157.03706	5.5
196.66650	5.7
225.13933	6.4
251.08136	5.4
268.14603	5.0
269.12320	5.2
405.20767	5.9
431.18777	8.8
447.22086	9.9
449.19550	5.4
458.02881	5.3
461.19690	8.0
461.94446	5.6
463.20819	5.4
472.06369	5.6
475.21503	37.5
477.22772	5.9
503.20682	16.5
535.23499	15.0
563.26166	17.7
622.27637	100.0
623.25751	10.2
637.27600	5.8
655.26892	15.4
671.31165	5.4
671.95673	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	655.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07048	0.6
71.23643	0.3
81.07043	0.8
83.04971	0.9
91.05486	0.7
95.08604	1.0
105.07041	0.4
119.08678	0.4
158.41661	0.4
181.02687	0.7
227.04631	0.4
250.06805	0.4
252.85121	0.4
377.17657	0.7
391.19159	1.0
392.20007	0.6
405.17072	1.6
405.21426	0.6
406.17206	0.5
406.21860	0.9
407.22543	4.1
408.23151	0.5
418.17447	0.6
419.18243	3.7
420.19449	1.4
421.19861	0.7
432.19727	0.4
433.15622	0.6
433.20474	5.8
433.24393	0.5
434.21182	4.9
435.21841	7.9
436.22455	0.5
447.17200	1.0
447.22992	2.7
448.18927	1.3
449.18997	1.9
459.19696	0.5
461.19769	2.2
462.20285	5.6
463.21255	5.2
475.21262	1.9
476.21924	1.1
477.22754	1.7
479.20074	0.5
481.25864	0.5
489.22885	1.4
493.21936	0.9
494.22876	0.6
495.23807	0.7
505.22467	0.5
507.20547	0.6
507.23978	0.7
508.25113	2.3
508.31265	0.5
509.25641	1.9
517.22192	0.5
521.25708	11.0
522.25775	0.4
535.26453	0.5
540.26978	0.5
549.24945	18.8
550.25299	0.6
553.24377	0.8
563.26581	3.8
564.27325	1.2
577.24359	0.7
581.27753	3.6
595.29199	12.5
596.30237	0.6
599.25446	0.7
607.29224	0.4
609.27057	12.4
623.28723	1.7
655.31189	100.0
656.31494	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01843	0.6
55.05480	0.8
57.03434	1.3
61.02915	1.2
63.02369	0.3
64.83130	0.2
67.05472	1.1
69.03423	4.6
69.07036	1.0
70.06556	0.6
71.04965	0.6
71.48876	0.5
72.08126	0.4
73.02885	0.9
79.05480	1.5
81.03406	1.8
81.07049	2.2
83.04942	0.7
83.08578	0.3
84.04451	0.3
84.08141	0.3
85.02432	0.4
85.02901	6.8
85.06517	0.6
86.09710	0.2
86.29743	0.2
87.04439	0.7
91.03912	0.4
91.05477	2.1
93.07050	2.4
93.88358	0.2
95.01340	0.3
95.04949	1.4
95.08598	2.5
97.02374	0.3
97.02895	3.1
99.04435	0.9
101.02338	0.4
103.05457	2.8
105.03351	0.3
105.07027	5.0
105.72456	0.2
106.04155	0.5
107.04933	1.5
107.08578	1.2
109.02874	1.9
109.06484	0.8
109.10133	1.6
111.04412	0.4
115.03840	0.3
115.05392	0.7
117.03363	0.3
118.04160	1.8
119.04957	1.2
119.08529	0.9
121.02842	0.3
121.06493	2.7
121.10122	0.9
123.00793	1.8
123.04391	0.9
123.08062	0.3
123.11680	0.8
125.05942	0.3
125.09602	0.6
127.03911	3.2
127.11111	0.3
128.06197	0.8
129.06998	0.3
130.04105	0.8
131.04930	2.9
131.08531	0.5
132.05693	1.1
133.06488	3.1
133.10074	0.9
135.04391	1.4
135.07997	0.6
135.11661	0.8
137.02289	0.3
137.05934	1.4
137.09537	0.4
139.03911	0.3
139.07466	0.4
141.06944	0.4
145.02806	0.8
145.04907	0.6
145.06441	0.4
145.10101	0.8
146.03580	0.4
147.04375	2.1
147.11699	0.5
148.05130	0.6
149.05972	3.0
149.09587	0.5
149.13206	0.4
151.03918	0.3
151.07515	0.8
151.19560	0.2
152.01027	1.2
153.05438	0.5
153.09065	0.5
154.06229	0.8
155.07022	0.3
156.05576	0.3
157.06505	0.2
157.10001	0.3
159.04356	0.4
159.08067	0.5
159.09282	0.2
159.11655	0.7
160.05151	0.3
161.05972	4.5
161.09526	0.4
163.03883	0.5
163.07530	0.8
163.11111	0.3
165.01826	0.4
165.05406	0.4
165.09096	1.0
166.06192	0.3
167.07040	6.6
168.05725	0.7
168.07253	0.4
169.01289	0.3
169.06535	0.5
170.02061	1.3
171.08040	6.1
173.05983	0.6
173.09630	0.4
173.13231	0.4
175.03911	0.3
175.07471	0.3
175.11125	0.3
175.14819	0.4
176.04672	1.7
177.05467	3.0
177.08981	0.3
178.06056	0.5
179.07033	0.7
180.07680	0.3
181.04955	0.3
181.06453	0.5
181.08548	0.6
182.09448	1.2
183.08029	1.3
183.11649	0.3
184.05168	1.3
185.05960	0.3
188.55669	0.2
189.09099	0.4
191.07025	4.6
191.10632	0.6
192.07730	0.9
193.08591	2.8
195.04570	0.2
195.06438	0.3
196.05063	0.3
197.06012	0.4
199.07535	0.9
200.42421	0.3
200.58116	0.3
203.10744	0.3
207.06544	0.7
207.10091	0.5
209.05966	1.9
209.08052	1.0
210.08862	1.4
211.07573	1.3
211.09427	0.3
212.04666	1.1
213.05505	0.6
223.03891	0.7
223.09714	0.3
225.05333	0.6
227.07002	0.5
229.08614	2.5
237.05450	0.3
239.07048	0.8
240.04129	1.1
240.07834	1.8
241.04904	0.6
252.04236	0.6
253.05005	0.6
255.06502	89.7
256.07040	1.6
262.14410	0.4
263.14673	0.4
267.06277	0.4
268.07291	0.3
269.04446	0.7
269.07986	0.6
270.05164	0.6
281.08075	0.7
283.06003	39.7
284.06781	9.6
284.09961	0.5
285.07562	19.5
286.08365	0.4
295.06094	0.6
297.07651	0.4
309.07642	0.5
310.05124	0.3
325.06992	1.2
339.08661	1.0
365.10181	0.3
377.10638	0.3
379.11722	0.3
427.14963	0.3
439.28690	0.5
457.29388	0.7
460.12219	0.4
463.13824	3.6
474.13202	0.3
475.13834	15.4
475.30917	1.5
493.14911	100.0
494.15149	1.5
528.43390	0.3
535.15906	0.5
655.19922	1.7
655.36835	2.1
660.86493	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	655.1863
Annotation	Iristectorigenin A 7-O-gentiobioside
Peak:m/z	Relative Intensity
53.00297	0.2
53.03940	1.0
55.01833	0.8
57.03432	2.0
59.04964	0.3
61.02923	2.7
67.01855	0.3
69.03425	10.5
70.06561	0.7
71.01300	0.2
71.04949	0.9
71.62754	0.2
71.63145	0.4
72.08112	0.9
73.02912	1.8
73.72858	0.2
74.45331	0.2
75.76913	0.2
81.03415	4.2
83.04964	0.3
84.04470	0.4
84.08118	0.4
85.02900	19.8
86.03197	0.4
87.04477	1.9
91.03955	1.0
91.05479	0.4
93.03351	0.3
96.08141	0.2
97.02888	7.7
98.03161	0.2
98.06011	0.4
98.09670	0.3
99.04452	2.2
101.02338	0.6
103.03897	0.8
105.03327	0.4
107.04939	0.5
107.08596	0.2
109.02876	3.4
115.03895	0.4
117.03360	0.4
119.04890	0.4
121.02772	0.3
123.04411	0.4
124.11258	0.3
127.03910	12.9
128.04239	2.3
129.04358	0.9
131.04842	0.2
133.02789	0.3
134.03639	0.2
137.02357	1.2
137.05923	0.2
138.05470	0.9
145.04948	3.0
147.04398	1.9
151.03874	0.5
155.03247	0.3
158.39893	0.3
161.02359	0.5
161.05946	0.4
163.03835	0.3
165.07028	0.3
167.07115	0.3
175.03882	0.9
179.03392	8.8
183.08006	0.4
192.42249	0.3
193.34822	0.2
195.02866	0.5
197.04399	0.4
201.00644	0.3
207.06564	0.4
211.07452	0.5
215.06998	0.2
217.04839	0.2
227.07085	0.2
229.08603	1.0
239.06999	1.5
243.06474	0.4
244.32320	0.2
245.04370	1.0
255.06525	0.4
257.08124	2.3
263.05426	0.4
267.06546	2.4
273.08365	0.3
283.05890	0.4
285.07523	1.6
287.13812	0.3
289.03403	0.9
295.05981	4.5
297.07602	0.2
311.05530	0.5
312.06281	1.0
313.07031	100.0
314.07336	1.7
325.06989	2.3
329.06519	0.3
331.08096	67.9
332.08560	1.3
337.07074	0.9
341.06714	0.2
343.08145	0.7
355.08130	2.3
369.05173	0.2
373.09143	1.0
409.08685	0.2
417.13068	0.3
419.15002	0.2
421.09042	0.3
430.81323	0.2
439.10266	0.3
466.98911	0.2
475.12277	3.3
493.13382	59.0
494.13843	1.3
505.13504	0.6
552.36017	0.2
601.15479	0.3
637.17767	0.4
655.22894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06660	0.3
53.03934	1.2
55.01862	3.7
55.05507	2.9
57.03434	0.7
57.07055	0.4
58.06590	1.5
65.03931	1.0
67.05504	4.2
67.25677	0.3
68.05027	0.8
69.03422	1.6
69.07066	1.7
70.06587	8.6
71.04984	3.1
71.62826	0.5
72.08147	1.2
79.05489	6.9
81.03416	2.1
81.07050	9.5
82.06567	1.1
83.04988	1.5
83.07355	0.5
83.08617	0.7
84.08134	2.3
85.02891	2.6
85.06584	0.4
86.06055	0.5
86.09682	0.4
87.04472	1.6
91.05473	3.8
93.07047	4.7
94.06564	1.0
95.04961	35.7
95.08593	2.7
96.08121	2.8
97.02879	1.7
97.06523	27.9
98.06046	0.5
98.09683	17.0
99.04462	3.1
100.07632	1.0
103.05475	0.3
105.07021	4.8
107.08588	7.6
108.08141	1.1
109.02894	1.5
109.06499	3.9
109.08915	0.4
109.10149	2.9
110.09653	0.7
111.04399	0.5
111.08073	0.8
117.07001	0.5
119.04951	0.6
119.08573	3.0
121.02903	1.2
121.10128	4.3
122.09678	0.5
123.04469	0.4
123.08030	1.7
123.11678	1.8
124.11218	36.3
125.05983	13.4
127.03922	2.5
131.08562	2.6
133.10120	10.9
135.04424	0.5
135.08031	2.4
135.11690	1.0
137.05998	0.8
142.12276	0.9
143.08630	0.9
145.04941	0.4
145.10078	1.6
147.04390	2.2
147.11653	1.9
149.09656	0.6
149.13258	2.4
150.12793	0.8
151.07625	0.5
151.11221	1.0
152.10759	0.6
153.01843	0.5
153.09099	2.0
158.10924	0.8
161.06039	0.4
163.03876	3.0
163.07608	0.3
163.11172	0.7
163.14793	0.4
164.10690	0.6
165.12674	0.5
167.07034	0.7
173.13257	4.1
174.44203	0.4
175.14938	0.6
177.05428	0.5
191.14290	4.5
192.10289	0.4
193.08640	0.4
194.11763	1.9
206.11609	0.4
209.15405	1.4
212.12862	1.4
224.12860	3.1
224.16481	1.3
226.14470	0.4
230.10286	0.3
236.16469	1.0
248.16553	0.5
266.14014	1.1
266.17511	2.0
269.10312	0.4
273.07483	0.4
274.08081	0.5
284.18588	0.8
289.18137	0.5
296.15054	0.9
356.16971	4.0
368.16959	3.2
368.20963	0.6
370.18570	0.8
386.17749	1.7
392.13303	0.5
410.21661	3.0
428.22791	12.2
446.23923	2.4
594.32904	2.0
612.33594	1.7
618.36218	2.2
636.37427	23.0
654.38440	100.0
655.38849	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	654.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50446	0.2
52.92170	0.3
53.03951	0.8
55.01867	2.8
55.05506	3.1
56.05036	0.3
57.03427	0.6
57.07066	0.4
58.06597	1.9
59.04981	0.4
61.02934	0.4
65.03935	0.9
67.05503	3.5
68.05010	1.1
69.03422	2.3
69.07059	2.3
69.37756	1.6
69.38177	1.0
70.06581	3.3
71.04988	2.4
72.08154	1.0
73.02911	0.7
79.05489	5.3
81.03413	2.6
81.07052	10.3
82.06568	1.1
83.04971	1.4
83.07360	0.4
83.08624	1.3
84.04530	0.5
84.08144	2.2
85.02901	2.9
85.06515	0.6
86.06094	0.3
86.09692	0.7
87.04458	1.2
91.05482	4.5
93.07034	4.7
94.06554	0.9
95.04963	29.3
95.08598	3.6
96.05304	0.4
96.08143	2.6
97.02898	2.2
97.06524	20.7
98.06049	0.4
98.09688	18.9
99.04457	3.0
100.07613	1.0
100.72089	0.3
103.05441	0.5
105.07015	5.7
107.04968	0.9
107.08587	6.2
108.08128	1.5
109.02883	2.1
109.06507	2.9
109.08939	0.7
109.10154	2.7
110.06042	0.3
110.09687	0.8
111.08078	0.7
112.07578	0.6
115.03941	0.7
115.05433	0.4
117.07005	0.9
119.04936	1.3
119.08575	3.5
120.08058	0.3
121.02882	0.5
121.06489	0.6
121.10132	4.3
122.06024	0.3
123.04400	1.4
123.08022	1.4
123.11681	1.6
124.03946	0.6
124.11221	34.4
125.05985	9.4
127.03896	3.6
128.04340	0.3
129.06960	0.4
131.04945	0.5
131.08548	2.2
133.06502	0.5
133.10121	10.1
134.09648	0.3
135.08063	2.4
135.11691	1.2
137.02309	0.4
137.05966	1.1
137.09616	0.3
138.05489	2.0
139.11232	0.3
140.07062	0.3
142.12288	1.3
143.08557	0.6
145.04947	0.3
145.06456	0.4
145.10088	1.3
147.04396	1.7
147.07968	0.4
147.11673	2.2
148.11203	0.4
149.05936	0.7
149.09587	0.7
149.13251	2.3
150.12790	0.8
151.07547	0.5
151.11169	0.7
152.07121	0.4
153.01828	0.7
153.09070	2.9
158.10892	0.7
161.06027	0.7
163.03880	0.5
163.07530	0.8
163.11156	0.3
163.14891	0.4
164.06998	0.3
164.10715	0.9
165.12785	0.6
166.29637	0.3
167.07034	1.9
169.10072	0.3
173.13271	3.9
175.03912	1.1
175.07524	0.3
175.14813	1.4
176.04025	0.4
177.05484	0.8
180.10263	0.3
181.04939	0.9
187.07617	0.4
187.14859	0.5
191.07037	0.3
191.14285	3.6
193.08672	0.4
194.11665	0.3
199.05974	0.7
206.11819	0.5
206.15359	0.4
207.06615	2.2
208.06805	0.4
209.15327	1.0
215.10783	0.3
224.12813	3.4
224.16376	2.1
234.14662	0.3
236.16553	0.9
241.08727	0.4
259.09711	0.5
264.15961	0.8
266.13940	0.9
266.17487	2.4
269.10275	0.5
270.05179	0.6
271.05896	0.6
272.20831	0.3
284.18582	0.6
285.07565	3.7
286.07965	1.7
289.17923	0.4
296.15085	0.7
301.07138	0.4
307.19025	0.4
310.73050	0.3
325.07404	0.3
325.20163	0.4
326.15933	0.5
341.13724	0.5
356.17068	1.2
368.16953	3.4
368.20590	0.3
370.18607	0.9
386.18146	1.2
410.21753	2.7
428.22781	10.3
446.23779	2.4
451.38062	0.3
594.32672	1.6
618.36133	0.9
636.37354	11.2
637.37848	0.5
654.38440	100.0
655.38928	3.1
679.56683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01860	4.5
55.05496	7.2
57.03431	32.6
57.07067	1.9
58.06589	2.0
59.04980	4.0
61.02927	9.3
61.72251	1.4
65.03938	2.1
67.05494	9.5
69.03422	63.7
69.07059	10.3
70.06583	9.3
71.01347	6.3
71.04986	6.0
71.37332	2.3
72.08144	10.9
73.02911	39.7
75.04475	2.4
79.05485	8.0
81.03414	14.1
81.07046	15.2
83.04979	10.8
83.08610	2.8
84.04486	3.6
84.08130	8.0
85.02898	77.3
85.06527	5.1
86.06068	1.9
87.04459	34.3
89.10766	3.0
91.05470	11.0
93.07026	13.0
95.04965	14.1
95.08600	20.1
96.90608	1.7
97.02879	59.4
97.06518	7.0
98.06058	2.4
98.09688	2.6
99.04443	11.5
101.06025	2.9
103.03932	12.3
103.05462	1.6
105.07012	20.8
107.04926	4.8
107.08580	29.7
109.02864	8.4
109.06501	10.2
109.10149	18.7
110.06020	1.5
111.04438	10.1
111.08080	2.8
113.06034	2.9
115.03922	62.8
117.06980	3.4
119.04947	4.1
119.08562	37.6
121.02893	3.1
121.06503	9.0
121.10130	34.3
123.04435	3.6
123.08040	6.2
123.11720	5.5
125.05996	8.8
125.09622	2.1
127.03907	18.7
129.05453	9.4
129.06932	2.4
131.08542	14.9
133.04956	48.4
133.06473	3.9
133.10118	48.0
133.11075	3.2
135.04367	2.0
135.08040	4.4
135.11682	9.2
137.06001	8.7
137.09637	4.9
138.05508	9.3
139.07524	4.2
143.07024	4.1
143.08545	6.2
144.09404	1.6
145.04956	8.9
145.06548	2.3
145.10106	20.9
147.04410	10.2
147.06525	10.7
147.08005	4.3
147.11664	33.5
149.04443	3.1
149.05913	5.0
149.09608	3.3
149.13260	6.2
150.07599	7.8
151.03860	1.9
151.07526	6.2
153.01843	1.9
155.08482	2.7
157.10129	6.9
158.07130	1.7
158.10896	2.3
159.08035	5.8
159.11691	14.2
160.07666	1.8
161.05991	2.2
161.08212	3.6
161.09630	5.4
161.13235	5.5
163.06117	1.8
163.11136	1.9
165.08984	1.8
165.12752	6.8
167.07007	7.4
169.08771	3.3
169.09998	8.4
171.06554	1.7
171.08014	2.8
171.11661	7.9
173.08212	3.2
173.09633	8.7
173.13248	28.8
175.11263	2.8
175.14815	68.7
177.05316	1.7
177.09125	2.3
177.12857	1.9
177.16377	7.1
180.10161	3.6
181.08565	1.9
181.10097	3.6
183.11638	3.6
185.08151	2.0
185.09621	4.5
185.13257	12.8
187.06023	2.0
187.09706	2.3
187.11206	6.4
187.14813	21.5
189.09019	1.8
189.12779	2.2
189.16354	4.2
191.10648	3.5
191.14296	9.8
193.15868	16.8
195.11725	3.3
196.12534	2.2
197.09587	3.9
197.13223	4.7
199.11263	1.8
199.14772	9.8
201.09108	1.7
201.12810	3.2
201.16588	2.0
203.10736	5.1
203.14241	2.6
205.15886	3.4
207.06483	3.2
209.13336	2.7
211.11156	1.8
211.14842	7.0
213.12726	2.5
215.10724	4.4
215.14307	4.0
217.15926	9.9
219.10039	2.5
225.16356	7.7
227.12599	3.8
229.15869	7.2
235.14638	2.0
235.16875	3.4
241.15894	17.7
243.17490	2.8
251.12772	2.4
253.15871	22.1
259.08118	4.1
259.16956	7.8
271.16901	55.2
277.09079	2.0
277.18149	2.6
289.17957	81.6
289.21222	4.0
295.10178	3.1
307.18994	100.0
315.13474	2.3
325.06946	2.1
325.20035	28.7
352.08624	1.8
403.21051	2.1
421.22305	5.1
433.22229	6.3
439.23129	3.0
451.23212	10.1
465.67593	1.7
469.24249	8.7
487.25104	3.7
508.14157	2.2
583.27161	2.5
618.26318	2.3
618.35504	2.5
636.27197	5.0
636.37262	2.3
654.30103	7.2
655.28943	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	654.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.7
55.01876	6.0
55.05502	10.2
57.03433	34.0
59.04996	6.1
61.02915	9.8
65.03922	4.7
67.05500	7.9
69.03075	3.8
69.03427	61.7
69.07072	13.1
70.06583	9.7
70.26487	12.5
71.01350	5.1
71.04993	7.0
71.61822	2.3
72.08147	14.4
73.02924	19.6
75.04469	3.4
79.05468	5.2
81.03410	14.4
81.07041	13.0
83.04979	14.5
84.08143	8.9
85.02901	77.7
85.06525	5.4
86.06030	3.0
87.04464	34.9
89.10772	3.5
91.05465	14.2
93.01343	2.4
93.07047	11.3
94.06590	2.7
95.04968	15.1
95.08588	18.9
97.02882	51.7
97.06508	8.1
98.06035	2.9
99.04446	12.0
101.06014	7.7
103.03978	6.8
105.01884	2.6
105.07034	25.6
107.04919	4.2
107.08570	21.4
109.02859	12.3
109.06506	9.5
109.10142	23.2
110.02381	4.4
111.04445	9.7
113.06023	5.2
115.03164	3.5
115.03925	46.6
117.05460	2.4
117.06925	2.9
119.04928	5.6
119.08578	43.3
121.06497	4.9
121.10142	26.0
123.04443	3.0
123.08055	7.7
123.11698	8.2
125.05977	9.2
127.03912	27.3
129.05431	6.6
129.06984	3.9
131.08572	13.4
133.03987	4.1
133.04959	52.5
133.06479	5.7
133.10123	53.8
135.08054	7.4
135.11684	6.6
136.07632	2.6
136.86743	2.4
137.05980	9.5
137.09639	3.6
138.05521	12.7
139.07527	4.5
141.78667	2.5
143.08501	4.9
145.04874	5.9
145.06563	2.8
145.10103	19.2
147.04449	13.1
147.06528	14.2
147.08006	4.1
147.11696	40.4
148.04747	3.4
149.05971	4.8
149.09538	4.0
149.13275	3.4
150.07611	5.8
151.03889	6.5
151.07504	5.4
152.07021	3.2
153.01900	2.9
153.05493	4.5
153.09052	3.7
155.08549	3.3
157.10112	11.6
158.10876	3.4
159.07997	3.3
159.11678	15.7
161.09618	6.4
161.13278	4.7
163.07523	5.8
163.11249	3.1
165.12848	5.0
167.07077	24.9
167.08464	4.1
167.10509	2.8
169.04930	3.1
169.10092	9.3
170.10849	3.2
171.07996	6.2
171.11674	7.8
173.09605	5.5
173.13295	26.8
175.14818	100.0
177.05507	4.3
183.11716	3.7
185.09679	5.0
185.13258	9.9
187.09663	3.3
187.11194	6.3
187.14828	18.2
189.16403	4.8
191.14326	12.8
193.15866	25.9
197.13251	5.9
199.14851	6.7
201.12697	4.5
209.07948	4.2
209.15343	5.8
211.11130	3.5
211.14789	7.6
213.16371	2.9
215.10687	3.3
217.15866	5.5
219.10179	7.9
225.16391	4.8
227.12642	3.1
229.15811	5.9
233.11699	2.9
235.14578	2.8
235.16922	4.1
241.15883	7.7
253.15906	12.3
257.95660	2.9
259.16946	7.6
271.05307	3.1
271.16943	37.8
289.17960	80.6
290.15814	3.5
295.10242	3.4
307.19034	96.6
325.20053	29.4
421.22147	6.0
433.22153	4.9
451.23172	8.4
469.23984	4.6
487.25232	4.9
583.28583	4.1
601.28351	3.6
643.22626	2.8
654.29877	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	653.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01872	0.9
57.03424	0.3
61.02911	0.4
67.05486	0.5
68.99768	0.2
69.03425	1.9
69.07058	0.4
69.55811	1.0
69.56221	0.4
69.77165	0.2
70.06549	0.2
71.04983	0.4
73.02908	0.5
78.04694	0.9
79.05480	1.2
81.03404	2.0
81.07048	0.6
83.04978	0.3
85.02897	5.0
87.00827	1.5
91.05479	1.2
93.07022	0.7
95.04942	1.2
95.08588	0.6
97.02887	2.4
98.20724	0.2
99.04417	0.9
103.03892	0.3
103.05446	0.9
105.01865	0.9
105.03357	0.3
105.06370	0.3
105.07019	3.2
106.04167	0.3
107.04947	1.5
107.08595	0.4
109.02859	1.9
109.06483	0.2
109.10140	0.6
111.04443	0.6
115.05458	1.4
117.07008	1.4
118.04146	0.3
119.04887	0.3
119.08564	0.8
121.06499	1.2
123.04425	2.4
123.08002	0.2
123.11729	0.2
124.05186	1.2
127.03909	5.0
128.06221	0.2
129.01869	0.3
129.06975	0.4
131.04935	0.3
131.08521	0.2
132.05673	0.4
133.06480	3.6
133.10144	0.2
134.03604	0.3
135.04440	0.2
135.08046	0.5
137.05956	0.7
141.06898	0.2
143.04916	0.3
144.05707	0.3
145.04958	0.7
145.06480	2.1
145.10036	0.3
147.04384	0.6
147.08020	1.0
149.05981	0.8
151.03906	0.8
151.07487	0.5
152.04671	1.0
153.05420	0.3
153.07097	0.3
153.09021	0.2
156.05557	0.2
158.03654	0.2
159.02910	0.4
159.08017	0.3
160.05173	0.4
161.05975	4.2
163.07570	0.8
165.06961	0.2
166.06271	0.4
167.07025	100.0
168.07365	1.3
169.06409	0.2
171.08073	0.3
172.05223	0.2
173.05981	1.8
175.07483	1.3
177.05461	0.4
178.06209	0.6
179.07019	0.7
181.06906	0.3
181.08575	2.4
185.05836	0.3
187.07568	0.5
189.03821	0.3
189.09071	0.3
190.06213	0.9
191.07043	0.7
192.07800	0.4
193.08589	19.4
194.08875	0.2
195.06499	0.3
195.08182	0.2
195.10127	0.5
197.05962	0.3
199.07510	0.6
201.05499	0.2
203.07002	0.4
205.08595	2.3
207.06546	0.3
207.10147	1.6
209.08075	0.8
211.07745	0.5
211.09631	14.0
213.03862	0.2
213.09087	0.5
217.08597	0.7
221.08066	1.5
223.09651	1.0
226.06294	0.2
227.07043	0.5
231.04849	0.3
231.10150	0.4
233.08046	1.0
235.09636	2.0
239.06984	0.3
239.09195	0.8
241.08653	0.8
245.11621	0.3
247.09677	0.3
251.09149	1.2
253.10663	0.5
259.09683	1.2
269.07980	0.4
271.09741	0.5
273.07486	0.2
273.11240	0.6
275.09103	0.5
277.10748	0.5
289.10773	0.3
295.11688	0.4
301.10663	2.4
313.06934	0.3
319.11734	3.5
337.12885	0.3
367.11691	0.2
405.12177	0.4
423.12521	0.2
432.83994	0.2
441.13803	0.3
456.98782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54412	0.2
53.03947	0.5
55.01864	0.6
55.05500	0.7
57.03428	0.4
58.24664	0.2
65.03925	0.7
66.68659	0.2
67.05483	0.9
69.03421	15.2
69.07055	0.8
70.06587	0.4
70.97197	0.3
70.97515	0.3
71.01329	0.3
71.04971	0.7
72.08144	0.8
74.50806	0.2
74.89186	0.2
77.03908	0.2
79.05486	1.0
81.03403	1.8
81.07039	1.9
83.04972	0.7
84.08119	0.9
85.02899	2.2
85.06521	0.5
86.09703	0.2
87.49592	0.2
89.03925	0.4
91.05470	15.1
93.03416	0.2
93.07022	1.3
95.04954	1.4
95.08578	1.4
95.18470	0.2
97.02883	3.2
97.06500	0.6
97.10149	0.4
98.06037	0.2
98.09673	0.3
99.04432	1.0
99.08092	0.2
101.05981	0.4
103.05468	0.7
105.03377	0.8
105.07021	1.5
107.04922	0.8
107.08566	1.3
109.02869	2.4
109.06539	0.3
109.10130	1.3
111.04428	0.4
111.08060	0.4
115.05462	0.3
117.07037	0.2
118.04153	0.9
119.04929	24.9
119.08566	0.8
120.05260	0.3
121.02863	0.6
121.06525	0.5
121.10140	0.8
123.04413	0.9
123.08031	0.5
123.11712	0.5
125.05981	0.3
127.03902	11.4
128.04242	0.3
129.03333	0.4
129.06996	0.3
131.04871	0.7
131.08528	0.4
132.02043	0.7
133.02809	0.4
133.06444	0.7
133.10109	0.9
135.04388	0.7
135.08037	0.3
135.11688	0.6
136.05190	0.4
137.05983	1.6
137.09602	0.3
138.05548	0.2
139.07509	0.4
139.11180	0.2
141.06992	0.3
143.08633	0.3
145.02847	0.5
145.04967	0.5
145.06476	0.4
145.10097	0.6
147.04391	26.3
147.11688	0.5
148.04776	0.4
149.02354	1.0
149.05917	0.7
149.09567	0.3
149.13188	0.2
151.03925	2.1
151.07526	0.5
151.11168	0.3
153.01820	1.4
157.03938	2.0
157.06436	0.3
157.09882	0.2
159.04369	1.3
159.08022	0.3
159.11668	0.4
160.05119	0.3
161.05988	1.1
161.09576	0.3
161.13197	0.3
162.03064	0.4
163.03918	0.4
163.07513	0.5
163.11183	0.3
163.81729	0.2
164.04620	0.7
165.05551	0.2
165.09064	0.5
167.07042	3.3
167.10532	0.2
169.06389	0.3
170.02052	0.5
171.02934	0.3
173.05917	0.3
173.09462	0.3
173.13242	0.5
175.03886	50.9
176.04362	0.8
177.05444	0.9
177.12953	0.2
179.03375	0.4
179.07008	2.3
181.04887	1.0
182.11685	0.2
183.08112	0.3
185.05954	0.3
187.03905	0.3
187.07492	0.5
189.05414	0.4
189.08961	0.2
191.03630	0.3
191.07027	0.6
192.04135	0.7
193.04807	0.2
193.08582	0.6
197.05986	0.2
199.07581	0.4
201.05431	0.3
205.04921	0.5
205.08633	0.3
207.06502	100.0
208.06889	1.2
217.05051	0.3
217.08582	0.4
219.06548	0.8
221.08089	0.4
225.07530	0.9
231.06445	0.5
231.10161	0.3
233.08020	0.3
235.05988	0.6
245.08017	0.5
255.06535	0.5
257.08008	0.3
261.07538	0.5
263.09033	0.5
269.04382	1.7
270.05203	5.4
270.07761	0.2
271.06006	0.3
279.10245	0.2
285.07541	28.2
286.07941	0.5
287.05469	3.2
287.08484	0.4
291.08600	1.4
311.12723	0.3
315.08463	0.4
325.06924	0.3
333.09714	0.3
351.10709	13.0
353.10132	0.4
354.10312	0.3
369.11768	14.7
370.04248	0.2
372.11624	0.2
389.12241	0.3
390.12521	0.5
391.12656	0.6
455.17212	0.2
647.31677	0.2
652.45709	0.4
653.35040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.05481	0.1
67.05483	0.3
68.99803	0.1
69.03398	0.3
69.07039	0.2
70.06556	0.3
71.04962	0.1
71.63002	0.1
72.08155	0.5
73.72136	0.1
79.05453	0.2
81.03384	0.3
81.07018	0.4
83.08606	0.1
84.08108	0.2
85.02911	0.8
85.06506	0.1
86.09685	0.1
89.03893	0.1
91.05453	0.5
93.07009	0.3
95.04951	0.2
95.08552	0.3
97.02855	0.4
97.06473	0.3
99.04398	0.3
100.11224	0.1
103.03880	0.1
105.07007	0.3
107.04929	0.5
107.08552	0.2
109.02834	0.4
109.06482	0.1
109.10132	0.3
118.04139	1.9
119.04947	0.6
119.08537	0.2
120.08092	0.9
121.06489	0.2
123.04418	0.5
123.08061	0.1
124.01572	0.3
125.05972	0.2
125.09534	0.1
127.03915	2.4
131.04875	0.3
131.08559	0.1
133.06479	0.1
133.10133	0.2
137.05917	0.3
145.02802	0.2
145.04871	0.1
147.03580	0.1
147.04419	0.8
147.11621	0.1
148.04718	0.1
151.07513	0.2
152.01039	0.4
153.01813	3.0
156.13736	0.1
156.37440	0.1
157.06097	0.1
159.08014	0.1
161.05959	0.2
163.03886	0.2
163.07526	0.1
167.03386	0.2
167.07034	2.3
170.00821	0.1
170.02107	1.7
173.13217	0.1
175.03853	0.3
175.14897	0.1
177.05481	0.2
193.08603	0.2
207.06490	0.6
209.16605	0.1
211.09758	0.1
213.05545	0.2
229.08537	0.2
242.05835	0.6
243.06398	0.1
268.07333	0.1
269.04440	7.3
270.05209	23.1
271.05618	0.4
285.07553	100.0
286.07928	1.9
329.13763	0.1
383.14856	0.3
447.16861	0.2
652.37036	0.1
653.18512	0.3
653.37952	0.1
653.49530	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	652.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23143	0.3
53.03941	0.3
55.01871	0.4
55.05506	0.8
56.05037	0.4
59.04990	0.9
60.04528	0.3
60.57272	0.3
61.02913	0.5
65.03931	0.3
67.05502	1.2
69.03432	2.2
69.07079	0.5
69.48621	2.3
70.06587	2.8
71.04984	0.8
72.08153	2.2
73.02911	1.7
73.06556	2.4
74.06069	0.5
79.05486	1.1
81.03402	1.0
81.07047	1.4
82.06579	0.5
83.04973	0.6
84.04487	0.7
84.08132	2.0
85.02883	1.9
86.06074	2.0
86.09709	0.7
87.04462	16.0
89.06025	100.0
89.10793	0.3
90.06356	0.4
91.05463	1.4
91.07594	0.4
93.07050	1.1
95.04966	2.0
95.08608	1.7
96.08130	0.6
97.02888	2.1
97.06528	1.3
98.03178	0.2
98.06030	0.9
98.09685	2.3
99.04450	0.6
100.07600	0.3
102.05553	0.6
103.05453	0.3
105.07028	1.2
107.04954	0.5
107.07063	4.4
107.08592	1.0
108.08118	0.6
109.02876	1.2
109.06527	0.3
109.10139	0.5
110.07136	0.3
112.07558	0.3
113.06005	0.4
114.09146	0.3
114.10307	0.3
115.08739	0.3
116.07112	0.4
117.09129	1.9
117.09842	0.4
119.04922	0.9
119.08566	1.3
120.08100	0.3
121.02843	0.3
121.06480	0.5
121.10147	0.8
123.04415	0.7
123.08035	0.3
124.11234	2.5
125.00360	0.3
125.05991	0.6
125.09570	0.3
126.05484	0.3
127.03905	4.8
128.07056	0.5
129.10210	0.6
130.08626	2.4
131.04945	0.4
131.07031	4.8
131.08557	0.5
133.08594	67.0
134.08922	0.3
135.10150	0.5
136.07550	0.5
137.05984	1.2
137.09558	0.4
138.05496	0.3
138.16556	0.2
142.08630	0.6
143.08662	0.3
145.02846	0.9
145.04916	0.4
145.10114	0.6
147.04390	3.9
147.11682	0.7
148.04724	0.5
149.05974	0.3
149.09596	0.5
151.03975	0.6
151.07564	0.5
151.09587	0.6
152.14334	0.7
153.01802	0.6
156.06580	0.5
158.74023	0.3
159.10240	0.4
161.11638	0.3
163.03922	0.6
167.07050	2.5
172.09691	1.1
173.05887	0.3
173.13237	0.6
175.07463	0.3
175.09648	3.6
175.14772	0.5
177.05515	1.3
177.11212	27.8
179.07028	0.3
179.12852	0.4
184.06087	0.4
187.14943	0.3
191.14287	0.3
193.08597	0.4
193.10657	0.3
195.12224	0.5
200.09169	0.9
202.10724	0.6
203.12573	0.3
207.06541	0.6
218.10156	0.5
219.12155	1.3
221.13835	5.6
223.15181	0.6
237.13158	0.3
239.14861	1.0
265.13925	0.3
265.16544	0.9
271.05795	0.4
273.07538	0.7
283.17435	1.9
295.05719	0.4
297.07217	0.3
308.06348	0.4
309.19019	0.9
315.13324	0.8
316.13721	0.3
325.07120	0.3
326.07303	0.4
327.20285	1.5
335.73892	0.3
337.07007	0.7
338.07202	0.9
353.21735	0.9
371.22647	0.7
379.07852	0.3
385.37167	0.3
391.07886	0.4
397.24182	0.6
415.25269	0.3
427.09860	0.4
427.24625	0.4
428.22861	0.4
441.26947	0.5
456.98828	0.3
459.28018	0.5
486.17804	0.3
503.30508	0.4
533.47974	0.3
547.32593	0.4
591.35352	0.8
601.58728	0.3
617.24561	0.3
634.35889	1.8
635.28070	0.4
635.38373	7.2
652.19275	0.3
652.36853	7.3
653.27502	0.4
653.39099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3686
Annotation	Naloxegol
Peak:m/z	Relative Intensity
53.03948	1.0
55.01871	4.9
55.05511	4.3
56.05032	2.7
57.03428	1.6
57.07070	1.2
58.06593	2.2
59.05001	0.8
65.03944	1.3
67.05503	8.3
68.05018	2.6
69.03426	4.1
69.07070	1.9
70.02966	0.5
70.06595	13.8
71.04989	1.7
71.06941	0.5
71.62730	0.5
71.63088	0.5
72.01055	0.4
72.08154	7.4
73.02905	1.4
74.06070	2.9
79.05491	6.9
81.03426	3.0
81.07059	10.1
82.06591	3.5
83.04990	1.7
83.08638	0.8
84.04504	2.9
84.08144	8.7
85.02914	6.2
85.06553	2.8
86.06061	1.9
86.09708	2.5
87.04482	2.9
88.03992	0.6
89.06039	1.4
89.10800	0.7
91.04011	0.6
91.05468	4.0
92.07124	1.9
93.07057	5.0
94.06580	1.6
95.04966	6.0
95.08606	19.1
96.04537	0.7
96.05293	0.7
96.08132	5.1
97.02892	6.8
97.06010	0.5
97.06531	26.1
98.06049	2.8
98.09689	26.1
99.04457	2.4
100.03982	0.9
100.07603	2.3
101.06041	0.6
102.05551	1.6
103.05486	0.6
104.07110	1.0
105.07019	4.1
107.04966	2.4
107.08598	4.2
108.04476	0.6
108.08108	2.7
109.02901	3.2
109.06518	2.3
109.08933	0.8
109.10179	1.7
110.02426	1.6
110.06055	1.4
110.07197	1.4
110.09687	1.7
111.04456	0.5
111.08145	0.6
112.07655	0.9
113.06025	0.8
114.09156	1.2
114.10326	0.7
115.03940	1.1
115.05515	0.7
115.08693	0.7
116.07082	2.3
117.07004	0.8
118.08686	0.5
119.04952	4.3
119.08574	4.5
120.08121	0.9
121.02853	0.9
121.06522	1.9
121.10136	3.3
122.09706	0.7
123.04426	2.1
123.08080	7.5
123.11736	1.1
124.07607	1.5
124.11229	50.5
125.05988	11.2
125.06831	0.8
126.05519	3.6
127.03911	9.4
128.07083	4.5
129.10258	2.0
130.05023	0.8
130.08662	1.1
131.04958	0.9
131.08617	1.6
133.06517	1.0
133.08656	0.6
133.10138	2.5
135.04391	0.4
135.08089	2.1
135.11697	1.8
136.07582	1.8
137.05984	1.8
137.09639	1.3
138.05516	0.8
140.07062	0.8
142.08667	0.9
142.12312	1.5
143.07094	0.6
144.06613	0.6
144.10254	0.6
145.02901	0.8
145.04977	1.1
145.06429	0.7
145.10123	1.2
146.09605	0.5
147.04405	15.1
147.05487	0.9
147.08086	0.5
147.11713	2.1
148.04779	2.1
148.11197	0.6
149.06075	0.5
149.09589	3.4
150.12813	1.8
151.03961	1.2
151.07558	3.1
152.07108	1.2
153.01830	5.5
154.08664	1.9
156.06548	15.3
156.07767	1.0
156.09335	0.5
158.08170	0.6
159.04466	0.7
161.06067	1.5
161.13266	1.6
163.03938	1.6
164.07121	0.7
165.09180	0.6
165.12749	1.1
167.07063	8.6
167.08398	0.8
168.07462	1.0
171.02884	4.2
172.09702	7.7
173.13316	0.7
174.07697	0.8
174.10451	0.6
175.03894	0.6
175.14845	1.1
177.05486	2.0
178.12337	2.0
179.03542	0.5
179.12674	0.6
181.08655	0.7
182.08220	0.9
183.02859	0.5
189.12793	2.0
191.14409	1.1
193.04988	2.4
193.08578	1.1
200.09167	11.5
200.10931	0.7
206.11925	0.8
207.06491	0.9
207.13821	1.3
217.08545	0.7
218.10121	3.3
218.12047	0.6
224.12787	4.2
224.16498	0.8
236.16444	0.7
239.11768	0.6
243.06697	1.7
246.14861	0.5
248.16547	1.0
255.11322	0.5
257.12976	0.8
263.17480	0.7
264.15964	0.9
266.14148	2.7
266.17337	3.1
273.07559	12.0
274.08063	0.9
285.12433	0.9
295.05957	0.8
296.15143	0.8
313.07208	0.9
313.10855	1.9
315.13489	1.2
318.11838	1.1
325.07135	0.6
326.16061	1.4
338.16220	0.7
344.16891	0.8
356.17151	0.8
362.14542	1.2
368.17145	1.5
368.21118	0.9
370.19138	0.6
374.18326	0.9
380.15576	0.9
384.16357	0.7
386.17676	2.9
386.22491	1.0
408.20273	0.7
410.22034	2.2
425.22940	0.6
426.21689	0.6
428.22806	7.0
435.12457	0.6
444.23694	0.5
445.18591	0.5
446.23724	4.3
592.31165	4.6
599.25128	0.7
616.34619	1.1
617.26398	2.3
634.35889	31.3
635.36407	1.8
652.37036	100.0
653.37659	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	652.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01852	0.9
55.05503	4.0
56.05027	7.7
57.03429	2.3
57.07045	0.6
58.06342	0.3
58.06592	4.4
59.04976	0.5
60.04510	0.8
61.02899	0.6
65.03918	0.8
65.37273	0.3
67.01849	0.7
67.04243	0.4
67.05492	4.1
68.05019	3.4
69.03419	3.3
69.07058	1.6
70.02935	0.5
70.06236	0.4
70.06589	5.6
70.79725	0.5
70.80066	0.5
71.04979	2.1
72.04498	2.0
72.08144	3.2
73.02886	0.6
73.05274	0.6
73.06489	0.3
74.06074	7.0
75.04453	0.5
79.05110	0.3
79.05488	3.8
80.05006	1.9
81.03403	3.1
81.05798	0.5
81.07050	5.5
82.03712	0.5
82.06570	17.8
83.04969	3.2
83.08623	0.8
84.04484	3.5
84.08135	6.9
85.02890	5.4
85.06519	1.0
85.07632	0.4
86.03220	0.5
86.06059	22.4
86.09682	0.8
87.00822	0.5
87.04459	0.8
88.03965	0.8
89.10783	0.4
91.05470	3.1
92.07094	0.3
93.07030	2.9
94.06569	3.1
95.04958	14.5
95.07325	0.4
95.08590	2.4
96.04469	0.6
96.08103	1.0
97.02871	3.8
97.06521	2.7
98.06030	1.8
98.09682	9.6
99.04443	2.2
99.06828	5.6
100.07610	3.7
100.11224	0.3
101.06005	0.8
102.05526	1.3
103.03966	0.3
103.05438	0.9
104.07085	1.5
105.06376	0.5
105.07022	7.8
106.02896	0.4
106.07333	1.4
107.04939	1.1
107.08589	3.4
108.04446	0.9
108.08112	2.7
109.02857	2.6
109.06505	3.3
109.10136	2.3
110.06026	1.5
110.07132	0.5
110.09686	0.5
111.04392	0.9
111.08072	0.7
112.07596	5.5
113.05969	1.1
114.05514	1.6
115.05434	1.4
115.06298	1.1
116.07090	0.5
117.06966	0.5
118.04149	0.4
119.04955	2.0
119.08567	1.8
120.08105	0.4
121.02862	0.9
121.06512	0.8
121.10144	1.8
122.05965	0.4
123.04433	2.3
123.08070	1.0
123.11679	1.2
124.03929	0.6
124.05231	0.4
124.07564	1.0
124.11209	8.6
125.05960	0.9
126.09140	1.3
127.03909	5.2
128.03398	0.9
128.04263	0.5
128.07092	0.7
128.10692	0.7
129.01779	0.5
129.10246	0.5
130.04994	1.7
130.08626	54.6
131.08577	1.0
132.06531	1.5
133.06477	4.2
133.10115	4.5
134.06831	1.9
135.04451	0.5
135.08037	1.4
135.11702	0.9
136.07544	1.3
136.12025	0.4
137.05948	1.3
138.05475	0.6
138.09134	0.8
139.03903	0.5
139.11198	0.4
141.05441	1.3
141.07788	0.4
142.08620	1.4
143.05989	0.3
143.08565	0.4
144.10204	0.3
145.02827	0.8
145.04883	0.9
145.06453	0.3
145.10078	1.0
147.04399	9.2
147.07941	0.5
147.11652	1.3
148.04836	0.5
149.04826	0.3
149.05962	0.7
149.09581	0.5
149.13242	2.0
150.12733	0.5
151.03859	0.8
151.07527	1.0
151.11139	0.7
152.07036	0.7
153.01808	11.2
153.09088	1.2
154.08618	7.3
156.06546	0.9
156.10182	10.1
157.10213	0.3
158.04457	0.6
158.10880	0.6
161.05971	7.0
162.06323	2.7
163.03873	0.7
163.14705	0.5
165.12657	0.5
167.07027	24.7
168.07364	8.7
171.02872	6.7
172.09666	2.3
173.13200	1.9
174.06088	0.6
174.07617	10.0
174.11237	29.2
175.07480	0.5
175.14813	1.1
177.05452	1.3
179.03351	0.7
179.06966	0.4
181.08571	0.7
182.08104	13.2
191.14316	1.3
193.08578	8.0
194.08926	3.9
198.43010	0.4
200.09157	17.9
205.08540	0.5
206.08997	0.3
207.06549	0.8
207.13698	0.5
209.45839	0.3
211.09706	1.7
212.09933	0.6
218.10207	100.0
235.09547	0.4
264.15945	0.8
271.05789	0.3
272.06223	0.6
272.09360	0.3
273.07535	19.5
285.09875	0.6
286.04431	0.3
289.63953	0.3
308.06567	0.4
321.07733	0.4
325.07056	0.6
339.08664	0.4
369.09769	0.4
426.21240	0.5
562.12982	0.4
610.31787	0.4
634.35724	3.7
651.47028	0.4
652.36841	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2811
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05515	1.0
67.05492	1.5
71.64774	0.8
71.65195	1.3
79.05482	1.0
81.07054	1.2
86.78545	0.8
93.07039	1.5
95.08599	1.4
105.07021	2.0
109.10212	0.9
119.08672	1.2
131.08698	0.9
194.34608	0.7
204.87814	0.7
253.72220	0.9
270.14737	0.8
277.11652	0.8
386.15097	1.0
387.16199	1.1
391.19260	1.9
398.71664	0.9
399.16174	1.3
400.16995	1.9
401.17532	3.6
403.19785	1.0
405.20935	1.4
406.21515	1.5
407.22388	2.3
413.17703	2.9
414.18561	5.6
415.19226	8.2
416.19809	1.7
417.21014	1.7
425.17618	1.3
427.19205	2.4
428.20596	4.1
429.21289	8.0
430.21631	2.8
435.21539	1.2
439.18896	1.0
441.17169	1.3
442.17630	1.8
443.18488	4.4
443.22842	3.3
444.18637	4.8
445.20203	3.2
456.19525	1.9
457.20126	6.2
458.21057	3.8
459.17920	2.3
461.19727	1.2
462.19995	1.0
471.22183	7.0
472.23209	5.0
473.19592	6.2
474.20670	2.1
485.19693	3.5
486.20206	5.4
487.21127	3.0
488.22217	1.4
489.23215	1.1
490.20157	2.9
499.21326	10.7
500.21927	3.1
503.24384	4.6
513.19586	1.6
516.21686	1.2
517.22253	9.5
521.25348	1.4
527.20929	2.1
528.21533	1.2
531.23889	17.4
543.23950	1.8
549.25098	6.4
559.23407	87.6
560.23785	2.5
587.22852	13.7
619.25488	100.0
620.26001	2.5
623.28723	1.1
649.47449	1.1
651.28094	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03942	1.2
55.01863	1.8
55.05511	1.3
57.03420	0.8
57.07074	0.4
58.06579	0.5
59.04996	0.4
61.02896	0.6
65.03932	0.3
67.05500	1.4
68.99763	0.5
69.03423	3.8
69.07048	0.9
70.06587	1.4
71.04980	1.1
71.62304	0.4
72.08150	1.3
73.02897	0.9
78.04690	1.0
79.05489	3.1
81.03401	3.7
81.07056	2.2
82.03715	0.2
83.04995	1.2
83.08599	0.5
84.04507	0.3
84.08130	3.1
85.02898	8.2
85.06535	1.0
86.06069	0.4
87.00816	2.4
87.04461	0.4
91.05469	2.5
93.07031	1.9
94.04176	0.2
95.04972	2.0
95.08591	1.7
97.02886	4.4
97.06509	0.5
98.06033	0.4
98.09676	1.2
99.04445	1.4
100.11246	0.5
101.06000	1.7
103.03915	0.3
103.05469	2.5
105.01841	1.6
105.07021	20.0
106.04176	0.6
107.04965	2.0
107.08583	1.7
109.02868	4.7
109.06496	0.7
109.10133	1.0
110.02357	0.3
110.05992	0.4
111.04430	0.7
111.08073	0.4
115.05445	3.8
117.03365	0.6
117.07008	1.1
118.04128	1.3
119.04931	0.8
119.08573	1.2
121.02854	0.6
121.06473	1.0
121.10127	1.2
123.04430	3.6
123.08047	0.5
123.11706	0.5
124.05215	1.6
124.11196	0.5
125.02335	0.3
125.05951	0.7
125.09688	0.3
127.03903	7.3
128.10716	1.5
129.01758	0.4
129.06998	0.3
131.04877	1.1
131.08562	0.6
132.05722	0.5
133.06480	18.6
133.10100	0.7
135.04355	0.5
135.08041	0.6
135.11693	0.7
136.07585	0.4
137.05968	1.3
137.09575	0.3
137.13268	0.3
138.05504	0.4
139.03810	0.3
139.11214	0.3
141.05391	0.3
143.04890	0.6
143.06035	1.1
143.08635	0.4
143.40457	0.3
144.10124	0.4
145.02841	1.5
145.04898	1.3
145.06462	1.2
145.10052	0.3
146.11755	1.2
147.04372	1.9
147.08051	0.6
147.11656	0.7
149.05936	1.3
149.09598	0.6
149.13231	0.3
150.32887	0.3
151.03848	1.0
151.07501	0.7
152.04655	1.0
153.01855	0.6
153.05434	0.4
155.06979	0.4
159.02872	0.8
159.08029	0.3
159.11667	0.4
160.05124	0.5
161.05968	33.0
161.13168	0.4
163.03842	0.6
163.07544	1.0
163.11151	0.4
165.05431	0.3
167.07024	100.0
168.04129	0.4
168.07349	1.0
170.08127	0.3
171.08144	0.4
173.05968	1.5
173.13197	0.4
175.03848	0.3
175.07503	1.2
175.11270	0.3
177.05457	2.7
178.06227	0.3
179.07002	0.5
180.10152	0.5
181.08557	1.9
187.07547	0.4
189.16417	0.3
190.06281	0.5
191.06981	0.8
191.14346	0.3
193.08592	37.7
194.08832	0.3
195.10123	0.7
199.07526	0.3
201.05505	0.3
205.08586	2.6
207.06523	0.7
207.10095	1.5
207.13870	0.3
209.07976	0.6
211.07700	0.4
211.09630	10.3
213.03716	0.3
213.09036	0.3
215.07147	0.4
217.08594	0.7
219.10161	0.4
221.07903	0.5
223.09686	0.6
227.06906	0.3
231.05037	0.9
231.10194	0.3
233.08067	0.6
235.09547	1.4
239.09154	0.6
241.08562	0.8
247.09653	0.5
249.06345	0.3
249.11220	0.3
251.09090	0.5
255.06425	0.4
259.09714	1.0
269.07932	0.4
271.06012	0.8
271.09625	0.3
275.09128	0.3
283.05844	0.3
290.15936	1.0
291.16150	0.4
301.10699	1.6
308.16995	0.5
309.07379	0.4
309.17300	0.4
313.07062	0.4
319.11823	1.8
325.07141	0.5
337.06995	0.5
337.12701	0.4
339.08499	0.3
405.11432	0.7
417.25974	0.4
423.12549	0.4
457.11328	0.3
513.11530	0.3
615.41766	0.3
632.43176	0.9
633.30304	0.3
633.43353	0.9
646.13904	0.3
650.35370	0.5
650.44159	1.5
651.35034	1.1
651.45581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.1
55.01823	0.8
55.05486	0.5
57.03428	1.7
61.02885	1.3
63.63342	0.4
65.03906	0.8
67.05449	1.2
68.99720	0.3
69.03424	8.9
71.01275	0.3
71.04947	1.0
71.62366	0.5
73.02907	1.6
79.05437	0.8
81.03409	6.2
81.06996	0.9
85.02898	9.8
87.00775	0.9
87.04436	0.4
91.05420	0.9
93.06992	0.5
95.04938	0.4
95.08566	0.8
97.02888	4.3
99.04433	3.1
101.02334	0.6
103.03955	1.5
105.06985	0.8
107.04960	2.0
109.02230	0.4
109.02872	5.1
109.06510	0.4
109.10168	0.3
115.03894	0.4
117.06951	0.7
119.04891	0.9
121.02125	0.3
121.02863	3.8
123.04372	1.4
127.03903	4.9
128.27904	0.3
129.01776	0.5
129.07007	0.4
131.04956	0.7
131.08517	0.6
133.02782	0.7
135.04431	1.7
137.05927	0.5
139.89049	0.3
143.08524	0.7
145.04929	1.3
145.06480	0.4
147.04349	1.4
149.05951	0.5
157.06448	0.4
159.04346	0.6
159.08020	0.6
161.05923	0.9
165.06886	0.4
167.07045	0.4
167.08533	0.7
169.06400	0.5
171.07941	0.7
175.07564	0.5
179.07011	0.3
179.08502	0.4
181.06477	0.3
181.09920	0.3
183.07985	0.3
187.06030	0.7
187.07489	0.7
189.05428	0.8
193.10097	0.7
197.05988	0.6
199.07440	0.7
208.08769	0.4
211.07542	0.6
211.88837	0.3
212.08221	0.3
213.05464	3.3
215.06989	0.6
221.09596	0.4
223.11136	0.7
225.05504	0.4
225.09099	0.7
226.09779	0.5
232.08780	0.4
239.07109	0.3
239.10591	0.5
241.12143	0.3
245.09583	0.7
246.10423	0.4
248.08157	0.5
249.09158	0.6
251.06947	0.4
253.08563	0.8
255.10213	0.5
258.10498	0.5
259.11139	0.5
260.08292	0.3
263.10687	0.5
267.06946	0.3
267.10083	1.8
273.09082	0.4
274.09818	0.3
275.07291	0.4
281.09549	0.4
283.05960	0.4
285.11176	0.7
287.10611	0.8
289.08759	0.6
295.05896	1.4
295.11136	0.4
296.12180	0.4
299.10632	0.4
300.07932	0.5
303.10187	0.8
304.07111	0.3
305.08072	1.1
305.11441	0.6
306.08841	0.3
307.05988	1.2
307.09326	0.4
309.07504	0.9
314.09225	0.7
315.09909	1.5
317.08145	0.7
317.11716	0.3
318.08694	1.4
319.06299	0.4
319.09674	2.0
319.12939	0.4
321.07620	2.8
321.11087	0.6
323.09256	0.5
324.11530	0.6
327.10028	0.9
329.08179	0.5
329.11810	0.4
329.15570	0.4
331.09610	5.0
332.10077	0.6
333.07651	0.7
333.11127	1.6
334.08270	0.9
335.09222	0.5
337.10757	0.4
341.07840	0.8
341.11795	0.9
342.08795	0.4
342.12506	0.7
343.09610	3.8
343.13293	0.5
345.07559	0.7
345.11148	1.4
347.09195	1.9
347.16260	0.3
348.09732	0.6
349.07068	0.5
349.10681	10.7
355.09570	4.0
356.10443	0.5
357.11081	0.9
357.14853	1.5
359.08893	0.6
359.12784	1.2
361.10611	3.6
361.14404	0.5
363.12311	0.4
367.13318	2.3
369.11096	1.5
370.11935	1.3
371.12830	0.6
373.10446	1.9
375.12036	0.6
375.16049	1.4
385.14346	10.6
387.12204	1.7
388.12967	1.5
391.11615	0.5
402.14905	0.8
403.15384	100.0
404.15698	3.4
427.15335	1.3
431.14935	0.7
445.16400	4.7
469.16479	0.5
547.19171	0.4
565.12354	0.6
565.20612	6.8
607.21704	42.8
608.22229	1.3
633.19312	2.2
651.20642	85.4
652.20868	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	651.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
53.83103	0.9
54.02969	0.7
55.01854	1.9
55.05502	1.6
57.03422	2.7
61.02934	1.5
67.05493	2.8
69.03432	8.9
69.07049	1.2
69.29877	8.3
69.30280	1.0
71.01313	1.0
71.04991	1.2
71.38703	0.7
72.08148	1.3
73.02912	2.2
79.05487	1.5
80.01131	0.9
81.03410	6.5
81.07046	3.2
83.04996	1.1
84.08134	1.0
85.02903	13.3
86.09691	1.6
87.00819	1.4
87.04470	1.1
91.05459	3.0
93.07049	1.9
95.08587	2.6
97.02868	5.4
99.04436	2.0
103.03941	2.3
103.05428	0.9
104.05162	0.8
105.07034	2.0
107.04953	2.3
107.08582	2.7
109.02865	5.6
109.06523	1.4
109.10126	1.2
110.07132	0.8
117.03193	0.7
119.04974	1.0
121.02862	4.4
121.06490	0.8
121.10143	1.4
123.04433	2.0
123.11694	1.2
127.03903	5.3
133.10132	1.5
135.04440	1.7
135.11658	1.0
143.08458	0.8
145.04964	1.5
147.04399	2.4
149.05948	0.9
151.07521	2.3
159.11685	0.9
165.00665	0.9
167.07031	3.3
187.07576	1.5
195.11633	0.8
196.50076	0.8
202.62978	0.9
207.07971	0.9
213.05467	3.7
213.08192	0.8
235.88919	0.8
255.06592	0.9
267.10007	1.9
277.08490	1.0
287.10571	1.3
295.06189	4.8
303.10168	1.5
307.06088	1.0
313.07126	1.8
315.10043	1.0
318.08823	1.6
319.09650	2.2
321.07596	2.1
331.09631	4.6
333.07584	1.3
334.08463	1.0
337.07141	0.9
337.10965	1.0
343.09775	3.9
345.11221	1.7
347.09143	2.8
348.09973	1.2
349.06659	1.4
349.10672	11.3
355.09650	3.6
359.09024	1.1
359.13004	1.5
361.10629	4.2
367.13177	2.7
369.11353	3.0
370.12012	1.6
373.10675	2.0
375.12085	1.3
385.14267	11.5
387.12158	1.4
388.13171	1.7
403.15402	100.0
404.16162	1.2
419.15073	1.2
445.16647	5.5
529.16913	1.8
565.20709	8.1
607.21674	60.6
633.19678	4.0
648.17224	1.0
650.39374	1.0
651.20532	60.3
652.20459	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	649.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01862	0.6
55.02968	1.2
55.05487	1.5
57.03413	1.6
60.05647	6.4
61.02902	0.6
68.05032	0.4
69.03431	3.7
70.06590	3.2
71.04984	0.8
71.62473	0.8
72.08152	40.1
72.23125	0.3
73.02893	0.7
73.08455	0.4
79.05474	0.6
81.03396	1.5
84.04494	6.4
84.08126	1.5
85.02421	0.6
85.02902	9.6
86.06069	0.5
86.09686	1.9
89.10782	1.6
91.05491	3.0
93.07017	0.5
96.04469	1.0
97.02892	2.1
97.06604	0.5
97.07649	7.6
98.06054	2.0
99.04469	0.8
105.07018	1.9
107.04946	3.3
109.02853	1.2
110.02399	1.1
110.07125	0.8
110.09683	2.0
114.10287	36.7
115.05475	0.7
115.08700	4.0
116.98618	0.4
119.04938	7.9
121.02882	0.9
121.06489	0.9
127.03912	3.6
131.04915	0.6
131.08562	0.7
131.12917	12.1
133.06474	2.8
137.05997	0.6
138.09138	15.5
140.08211	0.6
144.05699	0.5
144.08002	0.5
145.02821	0.6
147.04404	63.9
148.04709	0.9
149.09601	1.2
152.07088	1.0
153.05473	1.4
155.11801	0.8
156.10214	1.4
157.06470	1.4
157.10831	0.7
159.08044	4.0
159.09250	0.5
161.05943	4.0
167.07016	2.3
167.10643	0.6
168.56404	0.4
174.96957	0.4
177.05460	1.5
179.03340	0.5
180.11340	4.3
181.04994	0.5
181.09825	0.5
187.07446	0.5
189.05464	1.1
193.08643	1.1
195.08017	0.6
197.14014	3.6
211.07507	0.5
213.09088	0.9
217.13353	5.6
218.11760	6.3
219.08095	1.0
219.10127	0.6
235.14418	1.5
239.07095	0.5
241.08641	1.9
247.07692	0.5
251.10779	0.6
258.08875	1.3
260.13940	5.4
271.09396	0.5
272.10391	3.1
273.11307	1.2
277.16595	17.4
279.10150	0.5
281.08350	0.5
311.12842	1.9
323.09097	0.4
339.08597	1.4
339.12225	0.7
341.10242	1.5
367.08139	0.6
409.21323	0.5
410.19516	0.9
452.21130	0.4
453.20547	0.6
455.17795	0.6
470.22821	0.5
487.20782	1.8
631.29974	5.6
649.30829	100.0
650.31903	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	649.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05497	1.0
58.06591	1.2
65.03912	0.8
67.05492	2.9
68.99789	4.8
69.03433	0.9
69.07048	1.2
69.73883	3.7
69.74302	1.2
79.05473	1.8
79.07303	0.6
81.03409	0.8
81.07050	6.3
83.04960	1.0
85.02911	0.8
91.05453	2.6
93.07047	3.2
95.04953	4.0
95.08624	1.1
105.07004	5.0
105.91976	0.8
107.04940	2.4
107.08565	1.6
109.10166	1.0
115.05395	0.9
117.06981	1.5
119.04919	0.7
119.08583	1.9
121.06467	6.1
121.10112	4.0
123.04416	100.0
123.11707	0.6
124.04756	1.5
128.06216	1.2
131.04927	0.7
131.08549	0.8
133.06470	7.2
133.10139	2.8
135.04427	1.8
136.05206	0.7
137.06010	1.6
143.08528	2.6
145.06485	1.1
145.10085	0.9
147.04387	4.1
147.08000	0.8
149.05965	56.7
157.06357	0.7
161.05971	12.6
161.09602	3.8
171.08084	4.1
173.05957	2.2
174.06760	4.9
175.07529	1.9
175.11165	1.1
185.06027	0.9
187.07565	1.5
187.11050	0.8
189.09087	24.9
199.07579	1.0
203.10635	9.9
211.07501	1.8
213.05502	1.1
213.09077	1.2
215.10701	2.7
223.07555	0.8
225.08969	1.5
227.07057	0.9
253.08626	3.1
255.06598	1.9
255.13823	3.1
269.08090	2.3
269.15292	1.3
271.09619	80.5
272.09891	0.9
283.15167	1.1
308.09070	1.6
309.10605	0.8
311.12582	1.1
325.14310	67.5
326.14798	1.2
327.72275	0.7
379.19293	0.8
387.12622	0.7
391.11505	1.4
391.18994	10.8
509.15884	0.9
527.16986	18.9
549.23883	0.7
617.18054	0.7
649.28284	1.1
649.39050	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	649.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.0
55.01830	0.7
55.05461	0.5
57.03368	1.0
58.46139	0.3
58.53005	0.3
61.02859	1.7
65.03862	0.5
67.05435	2.2
69.03423	5.0
69.06990	1.2
71.04925	0.9
72.08099	0.4
73.02848	0.9
74.31744	0.3
79.05414	1.5
81.03335	1.7
81.06975	1.1
83.04819	0.3
85.02896	8.9
87.04392	0.7
91.03903	0.5
91.05468	1.9
93.07033	8.6
95.04922	0.7
95.08528	1.0
97.02883	3.8
98.21601	0.7
103.03839	0.4
105.06947	1.3
107.04910	0.8
107.08585	4.4
109.02809	1.2
109.10156	3.0
117.06952	1.2
119.08525	0.6
121.06416	0.4
121.10081	0.6
123.04335	1.3
127.03905	1.9
129.06944	0.6
134.43437	0.3
135.04390	0.8
135.11674	6.3
137.02263	1.1
137.05887	0.5
143.08458	0.5
145.04918	0.7
145.06485	0.5
145.10127	0.4
147.04330	0.7
151.03909	0.4
157.06413	1.1
159.04349	0.4
161.02240	0.7
161.05957	0.4
167.07066	0.8
167.10693	0.3
169.06407	0.4
169.09732	0.3
171.04346	0.5
171.11523	0.3
173.05890	0.4
181.06413	0.7
185.05893	0.7
187.07431	0.4
189.05408	2.3
195.02812	0.4
201.05360	0.4
202.07663	1.3
203.07033	1.0
211.07381	0.4
213.05505	2.3
217.10081	2.4
219.08055	0.5
225.05377	0.4
231.06319	1.6
235.11023	0.6
237.09044	0.4
245.09613	5.3
248.08298	0.9
263.10641	1.1
267.06403	0.4
273.09137	2.2
275.07037	1.5
276.07660	1.0
277.08643	0.8
283.06064	0.5
291.10095	2.8
293.07983	0.7
295.05972	0.6
299.05600	0.6
301.08575	1.6
302.09229	0.3
305.07950	0.4
307.05902	0.4
308.06552	0.6
309.07385	0.5
311.05481	10.6
319.09613	11.3
321.07455	1.0
323.05475	2.7
323.09164	2.5
325.07120	1.0
329.07965	1.4
335.09146	0.6
337.07037	1.3
337.10818	0.9
347.09106	50.3
348.09488	1.4
349.07062	1.4
350.07755	2.1
351.08423	0.8
353.10291	2.1
364.09537	0.7
365.10156	100.0
366.10504	2.4
377.10114	0.6
379.11749	1.7
385.10559	0.5
389.09839	0.5
393.13342	0.6
403.11835	1.1
405.13379	1.0
407.10986	0.9
407.15231	1.0
419.14798	3.1
431.14926	0.8
487.21130	44.6
488.21472	1.2
527.15430	35.6
528.15771	1.1
529.21838	0.6
581.20380	0.7
649.26471	26.3
650.27148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01867	0.7
55.05506	0.4
55.97256	0.2
57.03418	0.4
57.07070	3.7
61.02919	0.4
65.03934	0.3
67.05492	0.7
69.03419	3.1
69.07058	0.7
70.06591	1.7
71.04988	0.7
71.44257	0.2
71.62831	0.2
72.08150	1.5
73.02898	0.5
79.05479	0.7
81.03416	2.7
81.07053	1.3
83.04982	0.6
84.08138	1.0
84.08568	0.2
85.02415	0.4
85.02895	5.0
85.03419	0.3
85.06530	1.2
86.09696	1.3
87.04472	0.3
89.10812	0.2
91.05466	0.8
93.07027	0.8
95.04955	0.5
95.07599	0.2
95.08596	1.0
97.02882	32.5
97.06502	0.6
98.06028	0.2
98.09676	0.4
99.04439	2.9
99.08090	0.2
101.05980	0.3
103.03932	4.0
103.05474	0.3
105.07024	1.1
107.04961	0.4
107.08591	1.1
107.11096	0.2
109.02868	3.1
109.06494	0.5
109.10120	1.0
110.07090	0.2
111.04414	0.3
111.08114	0.2
112.07647	0.2
114.10304	0.2
115.03907	0.5
119.04922	1.1
119.08562	1.0
120.08032	0.3
121.02844	0.5
121.06516	0.4
121.10133	0.6
123.04424	0.3
123.08056	0.4
123.11665	0.4
125.02314	0.2
125.05955	0.4
125.09557	0.2
127.03905	100.0
128.04239	0.5
129.10246	0.3
131.04933	0.3
131.08549	0.2
133.06497	0.3
133.10114	0.8
135.04390	0.2
135.11661	0.3
136.07524	0.4
137.05959	0.8
137.09587	0.2
139.03955	0.3
139.07506	0.3
143.08568	0.3
145.02846	0.5
145.04935	3.8
145.10136	0.5
147.04398	3.5
147.11681	0.5
148.04730	0.6
149.06029	0.3
149.09596	0.3
149.13248	0.3
151.03908	0.4
151.07509	0.4
152.07034	0.3
153.05391	0.3
157.09952	0.3
159.11679	0.3
161.05916	0.4
163.03900	0.7
163.06009	1.6
163.07390	0.3
163.14717	0.2
167.07036	1.9
173.13040	0.2
175.03923	0.3
175.11124	0.2
175.13187	0.2
175.14804	0.4
177.05434	1.1
181.04991	0.3
187.06021	0.8
193.04926	0.2
193.06824	0.2
193.08661	0.3
199.09482	0.4
205.04869	0.4
207.06526	0.9
215.06836	0.2
217.10747	1.2
223.05971	0.2
241.06920	0.3
247.11789	0.6
255.06511	1.2
256.06824	0.8
271.08105	1.4
289.09131	0.8
294.05118	0.4
295.05951	0.8
307.05945	0.7
307.09955	0.3
308.06863	0.2
309.07452	0.3
313.07315	0.2
325.07001	1.5
325.12918	0.2
333.07761	0.3
335.08994	0.3
337.06924	1.0
337.10730	0.9
345.07288	0.2
351.08835	0.3
365.20538	0.5
379.07870	0.9
385.10532	0.2
391.08276	1.0
433.13400	3.7
439.14035	0.4
463.14224	0.4
469.16302	0.3
487.17752	0.3
493.14990	0.8
505.19394	0.3
511.16336	1.1
517.25885	0.2
559.18298	0.2
583.18011	0.6
613.18646	0.4
631.19226	0.2
649.28033	0.6
649.37256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23597	0.5
55.01882	1.3
55.05513	0.6
55.09038	0.5
57.03447	1.1
57.07071	49.7
61.02921	1.0
65.03944	0.8
67.05518	1.9
68.99809	0.6
69.03420	4.7
69.07075	1.9
70.06607	2.2
71.04993	0.9
72.08168	2.2
79.05489	1.4
81.03425	1.1
81.07053	3.1
83.04979	0.8
84.08173	0.9
85.02899	3.8
85.06538	10.0
86.09723	0.9
87.94994	0.5
91.05497	1.8
93.03372	0.5
93.07063	2.3
95.04991	1.6
95.08590	3.0
97.02881	3.4
97.06546	0.6
99.04479	1.1
100.28905	0.5
105.07050	1.9
107.04981	1.9
107.08611	1.5
109.02898	2.0
109.06548	0.9
109.10167	1.9
110.05929	0.6
111.04441	0.7
115.05447	0.6
119.04955	4.3
119.08614	1.7
121.02860	13.8
121.03679	1.0
121.06544	0.6
121.10170	1.7
123.04468	1.6
123.08076	0.7
125.05997	0.8
126.28056	0.6
127.03893	6.8
127.04645	0.6
131.04893	0.8
131.08592	0.8
133.06541	0.9
133.10182	1.6
135.04559	0.5
135.11728	1.0
137.06009	1.7
143.08566	0.5
145.02779	2.9
145.05006	1.9
145.10104	0.8
147.04393	7.6
147.11716	1.1
148.04765	0.8
149.05959	0.7
149.13257	0.6
151.07645	0.8
153.05452	1.1
159.08142	0.6
159.11736	0.7
161.02411	0.5
161.05940	0.6
163.03931	2.1
163.07683	0.6
163.11157	0.9
165.05621	0.7
167.07019	3.9
169.08638	1.7
169.10197	0.8
173.02428	0.8
173.09741	0.6
175.03931	1.0
177.05515	2.2
177.09212	0.7
178.05736	0.6
179.03401	1.0
181.04993	1.1
181.08620	0.6
187.03941	0.7
189.01810	2.9
191.03369	5.3
193.04941	0.6
195.02893	1.0
195.13980	0.6
201.05527	0.6
203.03392	2.7
205.05026	1.3
207.02867	4.7
209.04468	1.9
209.13380	0.6
211.09686	0.6
215.03424	1.5
217.04953	1.2
219.02835	5.7
221.04430	1.2
227.03522	0.8
229.10745	1.3
231.02940	1.1
233.04456	1.2
236.12709	0.8
239.07030	0.7
243.33861	0.6
247.11746	17.1
255.06526	0.6
263.07193	0.7
267.06467	1.2
268.07315	2.4
269.08261	0.7
273.04111	0.6
279.06396	2.8
280.07370	1.5
281.08124	4.8
283.05966	1.8
284.06750	1.0
291.06448	1.0
292.07275	1.1
293.08078	2.7
294.05209	13.5
295.05969	20.0
295.09323	1.0
296.06647	1.5
297.07553	3.0
305.08121	1.0
307.05981	36.2
308.06711	11.0
309.07489	18.4
313.06964	2.9
317.07916	0.8
319.05933	8.3
319.71503	0.6
320.06778	1.1
321.07541	10.8
322.05005	0.9
322.08487	2.2
323.05508	1.3
323.09091	1.4
325.07022	17.6
329.08212	0.8
332.06836	0.7
333.07639	4.8
334.08347	1.0
335.05579	1.3
335.09122	3.7
336.06296	0.8
337.07025	64.5
338.07437	1.5
339.05078	0.7
339.08560	3.1
345.07352	3.1
347.09174	2.2
349.06976	6.9
349.10812	0.9
350.07782	0.9
351.04663	1.0
351.08609	6.5
353.10275	0.9
355.08051	8.7
359.09189	0.7
361.06989	7.1
363.08600	5.3
367.08029	8.1
367.11984	0.8
373.07016	2.8
375.08612	2.1
379.08063	17.5
387.09042	1.0
391.08075	25.8
392.08093	0.8
397.08838	2.9
399.10706	5.7
403.07767	3.6
405.09491	1.0
409.09152	18.1
415.09982	0.7
421.08954	3.7
427.10211	100.0
428.10504	2.7
433.09262	3.5
439.08511	0.9
439.14517	5.3
445.11328	13.1
451.10287	6.4
451.16241	1.0
457.11282	5.1
463.10342	1.6
469.11380	10.1
469.17920	0.7
469.33954	0.6
475.10562	1.5
481.11240	2.7
493.10794	3.6
511.16833	10.9
529.17548	24.8
530.16644	0.6
541.16992	3.2
547.14423	10.4
559.18036	20.5
560.18506	0.9
595.17279	0.7
613.18939	2.1
631.19885	8.5
632.20264	0.7
649.20966	17.9
649.30139	0.9
650.21289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01866	3.8
55.05505	3.2
57.03425	2.8
57.07071	100.0
58.48208	0.9
59.04982	0.8
60.15294	0.9
61.02900	2.6
65.03938	1.8
67.05491	5.3
68.99798	2.3
69.03065	1.8
69.03424	25.4
69.07053	4.2
70.06597	5.5
71.01339	0.9
71.04984	3.2
71.61749	0.9
72.08138	5.6
73.02899	2.1
73.83677	0.9
78.58469	0.9
79.05495	4.5
81.03403	9.0
81.07041	10.0
82.06571	1.2
82.07346	1.0
83.04958	3.3
83.08611	1.1
84.08151	8.5
85.02897	19.3
85.06057	1.6
85.06539	22.1
85.07062	1.4
85.07664	0.8
85.08444	0.9
86.03240	1.0
86.09688	2.1
87.00822	1.7
87.04439	1.0
89.03946	1.1
91.05463	6.0
93.03442	1.3
93.07027	7.0
95.04986	4.9
95.08598	7.9
97.02888	15.5
97.06523	3.2
98.06080	2.1
98.09686	3.5
99.04426	4.7
101.06000	2.5
103.03961	1.2
103.05437	2.0
105.01906	1.2
105.03398	1.1
105.07012	7.1
107.04950	5.8
107.08588	7.9
109.02857	9.3
109.06505	3.5
109.10130	5.3
110.02348	1.2
110.16635	1.2
111.04436	3.9
111.08132	1.9
113.05989	1.3
115.03920	2.2
115.05416	1.4
117.06950	1.1
119.04939	8.5
119.08588	4.6
121.02858	24.0
121.06482	3.6
121.10126	4.7
122.09778	0.9
123.04424	8.7
123.08080	1.8
123.11697	1.8
125.06002	2.3
125.09632	1.5
127.03906	19.3
127.07568	1.0
128.07068	4.1
128.10745	1.4
129.01871	1.0
129.05498	1.1
129.07047	0.9
131.04926	1.8
131.08566	3.1
133.06465	2.9
133.10130	3.4
135.04411	8.1
135.08020	1.7
135.11693	3.2
137.02324	2.6
137.05994	6.0
137.09593	1.8
138.05504	1.6
139.03876	3.2
139.07523	1.4
139.11232	1.1
140.07054	1.4
141.01813	1.3
141.05411	1.5
143.08606	1.6
144.10199	1.6
145.02823	5.8
145.04939	6.3
145.06409	1.4
145.10126	3.3
146.11731	1.9
147.04395	16.4
147.11690	3.1
149.02359	1.1
149.05994	4.6
149.09599	2.4
149.13229	1.6
151.03915	3.1
151.07501	2.3
151.11153	1.7
152.06931	1.1
153.01796	3.7
153.05457	2.2
157.06564	1.3
157.10075	1.3
159.02940	1.2
159.08092	1.3
159.11650	1.7
161.05963	3.3
161.09628	1.9
161.13245	1.5
163.03909	4.9
163.07509	1.9
163.11127	1.4
165.01836	3.2
165.05505	1.7
167.07039	25.8
169.08583	3.9
169.09912	1.4
170.04510	1.0
171.08005	1.3
173.05988	2.2
173.09610	2.1
173.13261	1.7
175.03934	2.0
175.07443	1.5
175.11244	1.2
176.01266	0.9
177.01860	3.4
177.05481	6.4
179.03362	3.7
179.10631	1.5
181.04936	3.7
181.08609	2.2
183.02867	5.9
187.03947	1.7
187.07530	1.6
189.01903	4.9
189.05424	2.4
189.09114	4.1
191.03365	6.4
193.08566	1.5
195.02924	7.0
195.06479	1.6
195.10138	1.4
197.11742	2.5
199.09590	4.9
201.05450	1.6
203.03377	7.3
203.10577	1.2
205.05014	2.6
207.02881	8.9
207.06500	3.5
209.04430	2.4
209.08177	1.1
211.09651	4.0
213.09021	1.3
215.03404	2.8
215.10638	1.9
217.04919	5.0
217.10631	5.1
219.02881	15.2
221.04370	4.5
227.07079	1.0
229.05069	2.4
229.08647	1.1
229.10378	1.8
229.12482	6.4
231.02887	2.2
233.04503	3.6
235.05952	1.1
237.04138	1.1
239.07120	2.5
241.05022	1.7
243.02783	1.4
245.04448	10.9
247.11726	31.5
249.03807	1.2
255.02751	1.1
255.06534	5.0
256.06870	1.4
257.04422	2.3
261.03915	4.3
263.05441	9.2
266.06180	1.2
267.06525	1.7
268.07339	1.5
269.04431	2.0
271.06055	2.4
273.04013	1.9
273.07629	1.3
279.06577	2.0
280.07339	1.4
281.08313	5.2
283.06006	9.7
284.06619	1.5
285.04037	1.7
285.07571	4.3
287.05521	1.9
287.23212	0.9
290.16000	1.5
291.06445	1.7
292.07285	2.3
293.08005	2.7
294.05200	18.0
294.08337	1.2
295.06012	31.6
295.09326	1.8
296.06656	4.5
297.07544	8.5
298.07980	1.1
301.07153	1.1
305.08249	1.5
306.08871	2.0
307.06018	38.1
307.09448	2.6
308.06696	14.7
308.09741	1.4
309.03976	1.7
309.07477	14.1
310.08084	1.2
311.05576	2.3
313.07068	10.0
317.08075	3.5
319.06042	8.1
320.06723	4.8
321.07550	26.4
321.11166	1.8
321.62613	1.1
322.08344	6.2
323.05460	4.6
323.09192	3.9
325.07040	60.4
325.14267	3.2
326.07419	1.5
327.08701	1.8
329.07758	3.2
333.07532	13.1
333.16855	2.2
334.08273	2.6
335.09061	13.3
336.06137	2.0
337.07056	72.6
337.10715	9.0
338.07532	2.3
339.08612	10.5
339.12317	1.5
341.10275	1.0
345.07462	12.4
346.08255	2.0
347.09058	3.0
349.07053	20.9
350.07736	2.5
351.04684	1.1
351.08594	21.7
351.12662	2.2
353.06525	1.2
353.10318	1.9
355.08112	8.3
357.07809	1.3
361.07037	15.5
362.07501	1.5
363.08591	18.2
365.06198	1.4
365.10510	4.7
367.08102	9.9
373.07025	12.0
375.08676	4.0
379.03235	2.4
379.08090	50.9
380.08292	1.7
381.09579	1.9
383.11264	9.3
383.15747	1.4
385.09036	1.8
387.08661	2.4
389.10315	1.0
391.08112	59.0
393.09616	1.2
397.27057	1.3
399.08243	1.2
401.12280	9.4
403.07770	5.5
403.25201	1.1
405.09607	2.2
407.11227	1.1
409.08453	17.6
409.13058	6.5
415.08368	3.3
421.13107	12.4
427.10422	5.4
433.09158	2.8
433.29556	2.7
439.14066	27.6
441.32672	1.1
445.09189	2.4
451.30792	1.4
457.11038	1.9
463.14029	36.1
464.13779	1.1
469.32175	1.8
475.14145	2.9
481.11496	4.6
487.19223	2.9
493.15155	68.1
494.15152	1.8
495.22424	1.8
499.16281	2.3
505.14984	2.6
511.16351	55.4
512.16443	1.8
523.16077	3.0
529.17444	17.2
541.16919	8.4
547.14813	1.7
553.16962	4.6
559.18060	19.1
565.17029	4.2
577.17206	1.6
583.18091	32.1
595.17804	9.7
613.19153	37.8
631.20093	14.2
631.29608	2.3
648.42816	2.5
649.22845	6.5
669.40344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01866	3.8
55.05505	3.2
57.03425	2.8
57.07071	100.0
58.48208	0.9
59.04982	0.8
60.15294	0.9
61.02900	2.6
65.03938	1.8
67.05491	5.3
68.99798	2.3
69.03065	1.8
69.03424	25.4
69.07053	4.2
70.06597	5.5
71.01339	0.9
71.04984	3.2
71.61749	0.9
72.08138	5.6
73.02899	2.1
73.83677	0.9
78.58469	0.9
79.05495	4.5
81.03403	9.0
81.07041	10.0
82.06571	1.2
82.07346	1.0
83.04958	3.3
83.08611	1.1
84.08151	8.5
85.02897	19.3
85.06057	1.6
85.06539	22.1
85.07062	1.4
85.07664	0.8
85.08444	0.9
86.03240	1.0
86.09688	2.1
87.00822	1.7
87.04439	1.0
89.03946	1.1
91.05463	6.0
93.03442	1.3
93.07027	7.0
95.04986	4.9
95.08598	7.9
97.02888	15.5
97.06523	3.2
98.06080	2.1
98.09686	3.5
99.04426	4.7
101.06000	2.5
103.03961	1.2
103.05437	2.0
105.01906	1.2
105.03398	1.1
105.07012	7.1
107.04950	5.8
107.08588	7.9
109.02857	9.3
109.06505	3.5
109.10130	5.3
110.02348	1.2
110.16635	1.2
111.04436	3.9
111.08132	1.9
113.05989	1.3
115.03920	2.2
115.05416	1.4
117.06950	1.1
119.04939	8.5
119.08588	4.6
121.02858	24.0
121.06482	3.6
121.10126	4.7
122.09778	0.9
123.04424	8.7
123.08080	1.8
123.11697	1.8
125.06002	2.3
125.09632	1.5
127.03906	19.3
127.07568	1.0
128.07068	4.1
128.10745	1.4
129.01871	1.0
129.05498	1.1
129.07047	0.9
131.04926	1.8
131.08566	3.1
133.06465	2.9
133.10130	3.4
135.04411	8.1
135.08020	1.7
135.11693	3.2
137.02324	2.6
137.05994	6.0
137.09593	1.8
138.05504	1.6
139.03876	3.2
139.07523	1.4
139.11232	1.1
140.07054	1.4
141.01813	1.3
141.05411	1.5
143.08606	1.6
144.10199	1.6
145.02823	5.8
145.04939	6.3
145.06409	1.4
145.10126	3.3
146.11731	1.9
147.04395	16.4
147.11690	3.1
149.02359	1.1
149.05994	4.6
149.09599	2.4
149.13229	1.6
151.03915	3.1
151.07501	2.3
151.11153	1.7
152.06931	1.1
153.01796	3.7
153.05457	2.2
157.06564	1.3
157.10075	1.3
159.02940	1.2
159.08092	1.3
159.11650	1.7
161.05963	3.3
161.09628	1.9
161.13245	1.5
163.03909	4.9
163.07509	1.9
163.11127	1.4
165.01836	3.2
165.05505	1.7
167.07039	25.8
169.08583	3.9
169.09912	1.4
170.04510	1.0
171.08005	1.3
173.05988	2.2
173.09610	2.1
173.13261	1.7
175.03934	2.0
175.07443	1.5
175.11244	1.2
176.01266	0.9
177.01860	3.4
177.05481	6.4
179.03362	3.7
179.10631	1.5
181.04936	3.7
181.08609	2.2
183.02867	5.9
187.03947	1.7
187.07530	1.6
189.01903	4.9
189.05424	2.4
189.09114	4.1
191.03365	6.4
193.08566	1.5
195.02924	7.0
195.06479	1.6
195.10138	1.4
197.11742	2.5
199.09590	4.9
201.05450	1.6
203.03377	7.3
203.10577	1.2
205.05014	2.6
207.02881	8.9
207.06500	3.5
209.04430	2.4
209.08177	1.1
211.09651	4.0
213.09021	1.3
215.03404	2.8
215.10638	1.9
217.04919	5.0
217.10631	5.1
219.02881	15.2
221.04370	4.5
227.07079	1.0
229.05069	2.4
229.08647	1.1
229.10378	1.8
229.12482	6.4
231.02887	2.2
233.04503	3.6
235.05952	1.1
237.04138	1.1
239.07120	2.5
241.05022	1.7
243.02783	1.4
245.04448	10.9
247.11726	31.5
249.03807	1.2
255.02751	1.1
255.06534	5.0
256.06870	1.4
257.04422	2.3
261.03915	4.3
263.05441	9.2
266.06180	1.2
267.06525	1.7
268.07339	1.5
269.04431	2.0
271.06055	2.4
273.04013	1.9
273.07629	1.3
279.06577	2.0
280.07339	1.4
281.08313	5.2
283.06006	9.7
284.06619	1.5
285.04037	1.7
285.07571	4.3
287.05521	1.9
287.23212	0.9
290.16000	1.5
291.06445	1.7
292.07285	2.3
293.08005	2.7
294.05200	18.0
294.08337	1.2
295.06012	31.6
295.09326	1.8
296.06656	4.5
297.07544	8.5
298.07980	1.1
301.07153	1.1
305.08249	1.5
306.08871	2.0
307.06018	38.1
307.09448	2.6
308.06696	14.7
308.09741	1.4
309.03976	1.7
309.07477	14.1
310.08084	1.2
311.05576	2.3
313.07068	10.0
317.08075	3.5
319.06042	8.1
320.06723	4.8
321.07550	26.4
321.11166	1.8
321.62613	1.1
322.08344	6.2
323.05460	4.6
323.09192	3.9
325.07040	60.4
325.14267	3.2
326.07419	1.5
327.08701	1.8
329.07758	3.2
333.07532	13.1
333.16855	2.2
334.08273	2.6
335.09061	13.3
336.06137	2.0
337.07056	72.6
337.10715	9.0
338.07532	2.3
339.08612	10.5
339.12317	1.5
341.10275	1.0
345.07462	12.4
346.08255	2.0
347.09058	3.0
349.07053	20.9
350.07736	2.5
351.04684	1.1
351.08594	21.7
351.12662	2.2
353.06525	1.2
353.10318	1.9
355.08112	8.3
357.07809	1.3
361.07037	15.5
362.07501	1.5
363.08591	18.2
365.06198	1.4
365.10510	4.7
367.08102	9.9
373.07025	12.0
375.08676	4.0
379.03235	2.4
379.08090	50.9
380.08292	1.7
381.09579	1.9
383.11264	9.3
383.15747	1.4
385.09036	1.8
387.08661	2.4
389.10315	1.0
391.08112	59.0
393.09616	1.2
397.27057	1.3
399.08243	1.2
401.12280	9.4
403.07770	5.5
403.25201	1.1
405.09607	2.2
407.11227	1.1
409.08453	17.6
409.13058	6.5
415.08368	3.3
421.13107	12.4
427.10422	5.4
433.09158	2.8
433.29556	2.7
439.14066	27.6
441.32672	1.1
445.09189	2.4
451.30792	1.4
457.11038	1.9
463.14029	36.1
464.13779	1.1
469.32175	1.8
475.14145	2.9
481.11496	4.6
487.19223	2.9
493.15155	68.1
494.15152	1.8
495.22424	1.8
499.16281	2.3
505.14984	2.6
511.16351	55.4
512.16443	1.8
523.16077	3.0
529.17444	17.2
541.16919	8.4
547.14813	1.7
553.16962	4.6
559.18060	19.1
565.17029	4.2
577.17206	1.6
583.18091	32.1
595.17804	9.7
613.19153	37.8
631.20093	14.2
631.29608	2.3
648.42816	2.5
649.22845	6.5
669.40344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3003
Annotation	Beiwutine
Peak:m/z	Relative Intensity
53.03936	1.6
53.15475	0.6
55.01862	1.0
55.05253	1.0
55.05505	13.7
57.03432	1.7
58.06601	6.9
59.05001	3.2
64.88331	0.7
65.03938	0.6
65.07515	0.5
67.05500	2.1
69.03426	6.1
70.04508	1.0
70.04932	3.0
70.06586	2.9
71.01350	0.7
71.04980	2.6
72.08142	1.7
73.02911	2.9
79.05475	2.1
81.03412	4.2
81.07048	1.0
82.06551	1.0
83.04974	7.7
84.08135	83.5
85.02901	13.7
85.06541	2.8
86.06057	1.7
87.04456	2.1
91.05477	3.3
93.07047	1.8
94.04186	1.9
95.04976	1.7
96.08120	1.6
97.02891	3.8
98.09686	11.5
98.20769	0.6
99.04447	2.1
99.10012	0.9
100.07611	3.1
100.11247	3.5
101.06005	30.2
103.05465	1.9
105.07019	6.0
107.04947	1.3
107.08541	0.8
109.02892	2.1
109.06530	1.6
110.02419	0.7
111.04465	1.6
112.07536	0.8
114.09140	3.6
115.05460	1.5
115.51052	0.6
117.07011	1.4
119.04958	1.5
119.08574	1.2
121.02836	0.6
121.06510	3.0
122.03646	2.4
123.04459	1.3
123.08097	0.9
125.06025	0.7
127.03889	3.9
128.10704	32.3
129.06996	1.2
131.04929	1.2
132.05745	1.3
133.06473	4.6
133.10210	0.8
137.05965	58.1
142.08607	1.8
143.04913	1.0
143.06989	0.7
144.10204	2.6
145.06480	2.2
146.09258	1.1
146.11752	17.2
147.04385	3.7
147.07997	1.4
149.05972	5.0
151.03946	0.8
151.07552	0.8
158.09668	0.7
159.08099	1.4
160.05223	0.6
161.05984	10.6
161.07257	1.0
163.11244	0.9
167.07066	0.7
173.06004	0.9
175.03867	0.7
175.07532	12.3
175.08994	0.9
177.05453	0.8
177.09081	1.4
187.07538	5.5
188.12836	1.2
189.09134	1.7
191.08658	1.6
192.91533	0.7
193.08603	5.8
199.07573	2.1
202.07903	0.6
203.08603	0.8
205.06842	0.6
205.08414	2.9
207.06427	0.7
219.08113	3.8
219.09998	1.0
220.08862	0.7
230.13910	1.6
231.08119	0.9
235.07513	1.0
247.07561	1.1
248.14951	0.8
251.10649	4.7
252.40675	0.6
254.13901	1.5
259.07489	0.7
263.10782	0.9
270.08768	0.7
272.14865	5.2
272.35934	0.7
277.08731	0.8
279.10208	4.4
288.14478	2.5
290.12973	1.5
290.15955	33.2
291.10214	2.2
295.06155	0.6
296.10535	0.7
309.11191	0.6
311.12717	4.4
323.12897	1.6
329.13867	0.8
341.13757	2.0
484.16116	0.7
497.20264	0.7
600.27887	6.0
612.28033	2.9
618.28973	11.2
630.29028	30.7
631.29504	1.3
648.30072	100.0
649.29938	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	648.3008
Annotation	Beiwutine
Peak:m/z	Relative Intensity
52.26558	0.3
52.26782	0.4
53.03930	1.0
54.77779	0.5
55.01871	0.7
55.05508	10.8
56.05022	0.6
57.03432	2.3
57.77603	0.3
58.06601	5.4
59.04993	1.9
61.02922	0.7
65.03936	0.5
67.05501	2.4
68.99790	0.7
69.03424	6.1
69.07053	0.6
70.06589	2.2
70.22714	1.6
71.01341	0.7
71.04984	1.9
72.08151	1.7
73.02914	2.6
73.63620	0.3
75.05637	0.3
79.05496	1.2
81.03409	4.7
81.07053	2.0
82.06618	0.7
83.04974	7.2
83.89052	0.3
84.08136	72.6
85.02898	14.3
85.06543	3.0
85.07655	0.4
86.06061	1.1
86.09711	0.7
87.04450	1.8
91.05483	2.4
93.07041	1.6
95.04939	2.1
95.08610	1.1
97.02884	5.0
98.06047	0.6
98.09686	4.8
99.04436	2.6
100.11247	3.8
101.02386	0.5
101.06009	25.8
103.05438	0.4
105.03390	1.1
105.07036	1.4
106.03718	0.4
107.04973	1.1
107.08592	1.0
109.02863	2.8
109.06546	0.8
109.10162	0.7
109.82394	0.3
110.02400	1.6
111.04436	2.0
111.68478	0.4
112.07584	0.4
114.09151	0.9
114.41304	0.4
115.03928	0.4
115.05477	0.4
119.04929	1.5
119.08583	1.0
121.02888	0.6
121.06510	2.7
123.04424	14.5
124.07616	0.4
127.03907	4.9
128.10706	28.4
131.08562	0.5
133.06499	1.0
133.10127	0.8
135.04404	1.5
135.08127	0.4
135.11714	0.7
137.05959	2.8
138.05505	0.5
142.08672	0.9
143.07043	0.6
144.10194	2.7
145.04965	1.2
145.06461	0.9
145.10094	0.4
146.11745	17.2
147.04402	6.1
148.04799	0.8
149.04784	0.5
149.05974	7.3
149.09671	0.4
151.03926	1.1
151.07596	1.0
153.05522	0.5
155.34488	0.3
159.08101	0.7
161.05989	1.9
163.03917	1.1
163.07542	2.9
165.05487	1.1
167.07053	1.9
168.07423	0.6
171.08058	0.7
173.06035	0.4
175.03932	0.9
175.07626	1.0
177.05469	1.1
177.09065	2.1
181.04907	0.4
185.05943	0.5
186.05011	0.3
187.07561	1.4
188.12762	1.7
189.05518	0.4
189.09119	1.9
191.06972	0.6
193.05014	0.5
201.09055	0.6
203.07167	0.4
203.10695	0.6
205.08588	8.2
207.06535	1.1
207.10156	0.9
213.09167	0.4
218.11906	0.5
218.13933	1.0
230.13907	1.7
231.06548	0.4
231.10107	0.7
248.15007	0.5
249.07552	0.5
254.13916	1.4
255.06567	1.4
256.06894	1.4
269.08200	1.7
271.09698	0.8
272.14911	4.8
285.07800	0.7
288.14502	0.8
290.12683	0.8
290.15961	15.7
295.06104	0.4
301.07172	0.9
323.12885	0.9
325.07092	0.6
341.13876	1.2
382.18674	0.8
468.15784	0.4
553.92877	0.4
612.28333	1.0
612.40552	0.8
630.29010	100.0
631.29425	2.2
648.30438	25.9
648.42432	0.8
649.30316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01856	0.6
55.05505	11.7
57.03431	2.6
57.07054	0.5
58.06590	5.5
59.04989	2.4
59.32148	0.3
61.02913	0.4
64.10685	0.3
65.03938	0.4
67.05498	1.6
69.03416	4.9
69.07059	0.5
69.37298	1.9
69.37714	1.0
70.06575	1.2
71.01327	0.5
71.04980	4.0
72.08143	1.0
73.02909	2.9
79.05459	0.7
81.03407	4.1
81.07063	0.6
82.06554	0.6
83.04469	0.5
83.04969	7.7
84.08133	71.4
85.02893	13.8
85.06525	2.5
85.49154	0.3
86.06061	1.0
87.04457	1.9
91.05450	1.7
93.07046	0.7
94.04177	1.0
95.04974	0.8
95.08588	0.4
97.02881	4.8
97.06506	0.4
98.06036	0.5
98.09682	2.2
99.04441	2.6
100.07599	0.7
100.11240	3.2
101.06005	25.3
103.05460	0.9
105.07011	0.7
107.04972	1.0
107.08596	0.5
109.02869	2.2
109.06520	0.9
111.04429	2.8
114.09155	0.6
115.05427	1.4
117.07039	1.0
118.04205	0.3
119.04919	1.4
119.08613	0.6
121.02854	0.4
121.10213	0.3
122.03648	1.9
123.04413	1.6
125.06025	1.4
127.03915	3.7
128.06212	0.5
128.10699	30.4
129.05481	0.6
129.06984	1.9
131.04906	2.5
131.08620	0.5
133.10112	0.4
135.04405	0.6
137.02364	0.6
137.05960	35.2
139.03859	0.3
140.07086	0.4
142.08624	0.4
143.04919	1.5
144.10243	1.3
145.02834	0.6
145.04999	0.6
145.06480	1.1
145.10094	0.4
146.03639	0.5
146.11742	18.7
147.04401	3.7
147.05319	0.3
149.06029	0.8
151.03925	1.0
151.07588	0.6
153.05426	1.9
157.06487	1.9
158.07300	0.4
160.05174	3.0
161.05977	2.3
163.03963	0.4
163.07556	1.7
167.07048	1.7
171.08112	0.5
172.05206	0.6
173.06055	0.5
174.06822	1.0
175.04123	0.4
175.07530	12.8
177.05525	1.1
177.09125	0.7
185.08107	0.4
187.07542	5.3
188.12735	1.8
189.09084	2.3
191.07013	0.4
191.08615	0.3
205.08688	0.8
207.06586	0.6
211.07642	0.4
213.09039	0.4
217.08601	0.7
218.13861	0.4
218.25172	0.3
219.08170	1.1
230.13855	2.1
239.07161	0.4
247.05154	0.3
247.07637	0.8
248.08279	0.6
251.10780	0.6
254.13933	1.5
255.06715	0.8
256.07040	0.4
263.10745	0.5
268.07111	0.3
269.84521	0.3
270.05386	1.2
270.08994	0.9
271.09586	0.3
272.14880	5.7
279.10403	1.3
285.07584	5.2
290.15942	35.5
291.10297	1.2
296.10257	0.4
299.05591	0.6
305.08136	0.5
311.05521	0.8
311.12967	1.2
313.07242	0.7
323.05563	1.2
323.09323	4.9
323.12756	0.8
325.07300	0.4
335.09531	0.4
337.07233	0.4
341.06570	0.7
341.10446	3.3
341.13339	0.4
349.07343	0.7
352.11996	0.4
353.10483	0.5
354.10693	0.5
357.71414	0.3
359.11398	0.9
364.12064	0.9
365.10321	0.4
370.12784	0.4
371.11932	0.4
376.11679	0.5
377.10403	1.1
394.13199	0.6
395.11792	0.5
412.14505	0.5
419.11649	0.9
436.14011	0.5
448.14496	0.4
449.12613	0.7
467.13663	0.5
484.16269	1.3
485.14618	0.3
502.17642	1.3
648.30444	100.0
649.31146	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	647.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20324	2.3
55.01876	2.1
55.05497	6.8
57.07066	3.9
59.04989	3.7
67.05493	29.9
69.03415	7.0
69.07052	6.2
69.59097	1.8
71.04986	2.8
71.62288	2.0
79.05467	11.6
81.03389	8.6
81.07052	19.0
83.04955	4.1
83.08595	4.0
85.02895	3.8
85.06526	12.1
91.05473	11.9
93.07044	21.4
95.04968	4.4
95.08599	100.0
96.08966	2.8
97.02880	3.9
105.07043	16.1
107.08605	16.9
109.06477	3.5
109.10143	6.0
111.04383	2.3
113.06006	11.9
115.91118	2.3
117.06992	4.4
117.32832	2.3
119.08556	23.1
121.06496	3.9
121.10162	12.7
123.08073	37.7
123.11703	5.2
129.07013	2.4
131.08562	10.6
133.06442	2.9
133.10130	9.7
135.08020	2.6
135.11687	21.8
137.09563	4.2
145.10098	4.4
147.08057	2.2
147.11678	11.5
149.09615	35.5
151.07520	4.3
151.14749	4.5
157.09981	2.4
159.11674	5.4
161.13249	15.5
163.11191	8.5
165.09052	2.6
165.12749	8.3
171.11678	5.7
173.13293	3.6
179.14311	6.3
189.12747	22.4
207.13795	90.1
211.14688	2.7
243.21260	2.5
251.16325	4.4
252.84506	2.1
277.02930	1.8
277.21613	2.6
279.23410	2.0
294.79883	2.2
303.23230	2.9
351.22995	2.3
369.24173	6.1
387.25348	4.3
631.14050	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	647.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88507	0.1
53.03938	0.1
55.01870	0.1
55.05479	0.1
55.62468	0.1
57.03408	0.1
60.62722	0.1
61.02906	0.1
67.05469	0.1
68.99792	0.2
69.03408	0.3
69.07060	0.1
69.44413	0.4
69.44834	0.2
71.04984	0.6
79.05470	0.1
81.03388	0.2
81.07027	0.2
83.04971	0.1
85.02897	1.0
85.06530	0.1
91.05457	0.2
93.07006	0.2
95.08605	0.1
97.02866	0.3
98.09646	0.1
99.04454	0.1
107.04925	0.1
107.08549	0.1
109.02843	0.2
109.10112	0.1
119.04900	0.5
119.08543	0.1
121.02855	1.6
121.06481	0.1
123.00784	0.1
123.04424	0.1
127.03898	0.3
129.05438	0.1
131.04948	0.1
133.02866	0.1
135.11641	0.1
137.02333	0.4
141.01816	0.8
145.04964	0.1
147.04395	0.3
151.07574	0.1
155.03349	0.1
157.06454	0.1
159.04384	0.1
165.01808	2.3
167.06998	0.3
168.07329	0.1
169.06364	0.1
171.08020	0.2
173.05943	0.1
177.05424	0.1
181.06412	0.1
183.02881	2.0
185.05946	0.1
199.07541	0.2
209.05890	0.1
216.67670	0.1
227.07005	0.2
229.04959	0.3
237.05354	0.2
255.06468	1.3
265.04984	0.2
271.06000	0.7
283.05972	100.0
284.06287	1.3
285.07556	0.7
309.07578	0.2
313.07065	0.1
325.07031	0.1
339.12228	31.4
340.12534	0.4
351.08759	0.1
361.10477	0.1
363.12091	0.2
365.10303	0.1
379.11740	0.3
381.13321	0.3
409.12723	0.7
433.11090	0.1
445.11401	0.2
449.32382	0.1
467.16934	0.1
467.33826	0.1
485.18085	0.9
501.17459	0.4
629.18842	0.1
647.23657	0.6
647.33472	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	647.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	0.3
53.03941	1.4
55.01863	1.3
55.05488	0.5
55.70586	0.2
57.03396	1.0
61.02888	0.9
67.05207	0.2
67.05484	2.1
68.99757	0.8
69.03422	7.0
69.07050	1.3
70.06566	0.5
70.23231	1.2
71.04954	1.1
72.08118	0.7
73.02901	1.2
79.05444	1.1
79.05871	0.3
81.03411	7.6
81.07050	2.1
83.04935	0.8
84.08107	0.4
85.02898	9.2
85.06503	1.0
86.09673	0.5
87.00825	3.5
90.42320	0.2
90.52015	0.2
91.03897	0.4
91.05456	1.4
93.07031	1.6
95.04933	0.5
95.08598	2.3
97.02882	4.1
97.06525	0.5
97.10128	0.3
99.04446	2.1
101.02267	0.2
105.01865	1.8
105.07041	1.4
107.04893	0.6
107.08574	1.4
109.02869	6.3
109.06495	0.7
109.10130	1.0
111.04430	0.3
111.11658	0.2
113.05879	0.3
114.42866	0.2
115.03901	0.4
117.01765	0.5
117.03355	0.6
117.06970	0.4
119.04906	0.5
119.08559	1.5
121.06474	0.4
121.10136	1.4
123.04435	0.5
123.08041	0.5
123.11674	0.7
125.05950	0.7
125.09592	0.3
127.03905	6.6
129.01813	0.5
131.04932	0.3
131.08539	0.9
133.10077	1.0
134.03625	2.2
135.04408	0.5
135.08055	0.3
135.11659	0.5
137.02315	0.3
137.04945	0.3
137.05942	1.0
141.05388	0.4
143.08522	0.5
145.04938	1.9
145.05925	0.3
145.06433	0.2
145.10060	1.1
147.04417	1.7
147.07939	0.4
147.11646	0.7
149.02307	0.8
149.05942	0.6
149.09535	0.5
149.13185	0.4
151.03821	0.9
151.07527	0.6
153.05432	0.5
156.88818	0.3
157.06407	0.4
157.10056	0.4
159.02888	2.1
159.08101	0.4
159.11636	0.7
161.09563	0.3
161.13162	0.5
163.03934	0.5
165.05469	0.3
165.09033	0.4
167.03349	0.8
167.07043	2.0
167.08311	0.4
168.07355	0.3
169.06392	0.2
171.11621	0.4
173.06000	0.3
173.13239	0.3
175.03851	0.3
175.07484	0.4
175.11058	0.3
175.14688	0.4
179.03397	0.6
181.06483	0.4
185.13290	0.3
187.14694	0.4
189.05513	0.3
189.16348	0.8
191.03304	0.4
191.10538	0.3
191.17848	0.4
193.08507	0.5
195.08063	0.3
197.04404	0.4
198.06720	0.3
199.07613	0.3
201.16333	0.4
203.10751	0.4
208.03465	0.3
209.05994	0.6
211.07584	0.3
213.03761	0.4
215.07008	0.5
217.04941	0.3
219.06441	0.5
221.04289	1.4
226.06227	0.9
227.07007	0.7
227.10455	0.3
231.04999	0.8
231.47668	0.3
232.07339	0.5
233.08066	0.3
235.05994	0.9
237.05411	1.8
238.06161	0.3
239.06966	0.4
241.04895	0.4
250.08406	0.6
253.05052	0.4
254.05765	0.8
255.06497	3.3
265.04959	1.2
266.05841	0.3
267.06458	0.5
269.08136	0.6
277.08521	0.3
281.04364	0.9
281.08023	0.7
282.05206	14.4
283.05872	0.8
284.06750	1.3
285.07614	0.3
291.10135	0.5
295.09833	0.5
296.06580	0.4
297.07532	18.9
298.04703	0.7
299.05530	0.3
299.09055	0.4
300.06155	0.7
307.05844	0.4
309.07617	0.6
309.11121	0.5
310.04599	0.9
311.05521	0.8
311.09079	0.5
312.06244	21.3
313.07071	2.1
314.07645	0.4
315.08588	2.9
316.07193	0.3
321.07739	0.5
321.11200	0.4
323.05484	0.4
323.09048	1.0
324.06210	1.5
324.09604	0.3
325.07019	5.4
325.15353	0.4
326.04288	0.3
326.07803	0.9
327.08591	98.8
328.09039	0.7
331.09763	0.5
333.07214	0.3
335.09113	0.9
336.06274	0.5
337.06995	1.7
337.10544	0.4
338.07843	0.6
339.08600	2.6
339.12289	0.6
341.06543	0.7
341.10257	1.3
343.07996	0.5
347.09125	0.6
348.09805	1.7
349.10678	0.6
350.11493	0.4
351.08560	3.7
351.12262	0.4
352.08997	0.3
353.10324	0.9
357.09711	0.3
363.08472	0.3
363.12222	2.9
365.10287	0.8
366.10950	8.5
367.11652	0.7
369.13174	2.7
379.11630	0.7
381.13300	58.7
382.13654	0.8
383.15002	1.3
385.17596	0.5
391.11746	0.3
393.13214	1.6
397.12787	0.9
399.14340	100.0
400.14578	0.9
409.12509	0.8
411.14398	3.5
423.14514	0.6
429.15970	0.3
431.31427	0.9
435.32513	0.5
449.32449	1.0
467.20959	0.5
471.14243	0.7
485.21918	1.8
485.27563	0.3
489.15445	1.0
506.22763	0.4
543.18713	0.4
573.19507	0.4
593.16113	0.3
611.17023	0.5
629.25189	0.4
647.22559	1.2
647.34900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01867	1.8
55.05499	1.7
56.35200	0.4
57.03444	3.0
58.71483	0.3
61.02925	3.3
65.04613	0.4
67.05505	3.2
68.99788	1.9
69.03429	18.0
69.07076	2.3
70.03023	2.1
70.06592	1.4
71.01331	0.7
71.04984	2.4
72.08159	0.9
73.02914	2.8
75.04494	0.4
79.01910	0.4
79.05507	2.1
81.03416	13.6
81.07051	4.4
83.04999	1.3
83.08643	0.6
84.08137	2.3
85.02901	22.7
85.06545	1.6
86.03228	0.5
87.00831	4.2
87.04469	1.8
91.05479	2.2
93.07043	3.7
94.07394	0.4
95.04972	2.0
95.08604	4.6
97.02893	10.5
97.06561	0.9
97.10185	0.4
98.20786	0.7
99.04443	5.8
101.02411	0.8
101.06038	0.4
103.03931	2.7
103.05482	0.7
105.01886	1.6
105.07028	3.2
107.04955	3.3
107.08566	2.8
109.02875	11.0
109.06539	1.3
109.10143	2.8
111.04454	0.4
111.08092	1.2
115.03938	1.0
117.01884	0.5
117.07024	1.1
119.04967	2.1
119.08573	1.9
121.02878	3.2
121.06525	1.1
121.10161	2.6
123.04450	1.2
123.08075	0.9
123.11713	1.3
125.05984	1.1
125.09674	0.4
127.03912	16.2
128.06253	0.9
129.01843	1.9
129.06993	0.5
131.04939	1.3
131.08589	1.3
133.02846	0.6
133.06474	0.7
133.10170	2.0
135.04420	3.0
135.08076	1.1
135.11713	1.7
137.02304	0.4
137.06004	1.7
137.09631	1.8
139.03896	0.5
139.07524	1.2
139.11136	0.4
140.07083	0.6
141.05504	0.4
141.07077	0.4
143.08575	0.6
145.02831	0.4
145.04991	2.9
145.06468	0.9
145.10088	1.9
146.11925	0.4
147.03131	0.6
147.04404	6.0
147.08040	0.5
147.11696	1.3
148.04755	1.2
149.06018	0.7
149.09627	0.9
149.13284	1.0
151.03885	0.8
151.07521	1.7
151.11122	0.5
153.05452	1.7
155.08607	0.8
157.06403	0.5
157.10114	0.9
159.02927	1.5
159.04443	1.4
159.08067	1.0
159.11754	0.7
161.06007	1.0
161.09610	0.6
161.13322	0.6
163.03888	1.3
163.11147	0.6
163.14847	0.4
165.05457	0.9
165.06921	0.5
165.12770	0.5
167.07057	6.8
167.08394	0.5
168.07396	2.1
169.07588	0.4
171.04448	0.5
171.08090	1.3
173.06007	0.6
173.09601	0.8
173.13249	0.6
175.03951	0.6
175.07558	0.6
175.11220	0.4
177.05469	1.6
177.09085	0.5
179.10696	0.7
181.08604	0.6
181.12222	0.7
183.08055	0.6
185.06029	0.5
185.09619	0.4
187.06000	1.9
187.07500	0.8
189.09109	0.4
191.03461	1.2
191.10629	0.7
193.08563	1.0
193.12302	1.4
195.10190	0.5
197.11748	0.6
199.07593	0.5
201.09152	1.5
203.03461	0.5
203.07028	0.9
203.10609	0.8
205.12297	0.7
207.10172	0.5
209.04521	0.6
209.11676	0.4
211.07649	0.6
211.13301	1.7
213.05594	1.9
213.09090	0.6
217.05006	0.4
217.12247	0.4
219.06471	1.9
219.17441	0.4
223.07556	0.5
224.08301	0.6
227.07018	5.3
227.09023	0.5
231.04861	0.5
241.08488	0.5
245.07965	0.8
246.10326	0.4
253.04591	0.4
253.08591	0.6
255.06432	4.2
264.07892	0.5
265.08737	0.6
267.06656	0.6
271.06027	0.8
271.11069	0.4
274.09827	0.7
277.08713	0.8
279.06332	0.5
281.08212	1.3
283.06003	1.8
289.12228	0.7
291.06461	0.5
293.08032	4.1
295.06058	2.7
295.09470	0.8
296.06433	1.6
297.07285	2.0
301.07184	0.4
302.09406	0.6
305.08151	0.9
306.08780	0.4
307.06369	0.5
307.09680	1.1
307.13123	0.7
308.06934	0.6
309.07562	25.5
310.04788	1.3
310.08084	0.9
313.07040	0.6
317.08392	0.6
317.11615	1.8
318.09070	0.5
319.06189	0.7
319.09616	2.1
320.06833	0.8
320.10507	0.8
321.07608	7.4
321.11142	0.8
322.08392	0.9
323.08917	0.9
325.06998	4.5
327.08850	1.6
330.08658	0.5
331.09689	0.9
333.07593	3.8
334.08414	2.1
334.11835	0.6
335.09052	2.4
335.12836	1.8
337.07059	0.9
338.07526	0.6
339.08493	1.1
339.12335	1.3
340.09085	0.9
345.11230	7.8
346.08334	1.2
347.09164	4.5
348.10016	3.2
349.10641	0.7
350.07571	0.4
351.08649	2.4
353.10120	0.7
361.10712	1.6
362.11450	0.6
363.12259	100.0
364.09119	1.2
364.12958	4.1
365.26831	0.8
367.11731	1.0
369.09842	0.9
375.08115	0.6
378.10706	0.6
379.11768	9.3
380.12180	0.6
381.13330	63.5
382.13635	3.0
387.12134	0.9
391.11813	1.2
393.13577	0.9
395.11401	1.2
397.12711	0.6
399.14453	14.6
400.14893	0.6
405.13290	8.2
406.13818	0.7
407.14935	1.0
409.12805	1.8
411.10468	0.5
413.30600	0.8
419.15485	0.7
421.16483	1.3
423.14249	1.4
429.13358	0.8
431.14825	1.3
431.31689	3.2
449.15851	4.0
449.32623	4.6
467.17032	9.5
467.33725	2.1
468.17365	0.6
471.12820	0.4
485.17410	1.7
485.34384	1.1
515.18286	0.6
525.17719	1.5
541.16956	3.9
543.18671	13.2
561.19678	6.1
567.18542	2.5
573.16254	2.2
575.14056	1.2
585.19684	6.6
586.19202	0.4
593.16986	0.4
599.19983	0.5
603.20380	1.2
611.17535	7.4
629.18524	49.9
630.18622	2.9
647.19617	13.4
647.31317	3.6
648.19916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31798	0.2
53.03942	1.2
55.01867	1.5
55.05489	0.6
57.03437	1.6
61.02912	1.4
67.05473	0.8
68.99785	1.3
69.03424	9.4
69.07039	0.5
69.30280	2.8
71.01326	0.2
71.05003	1.1
73.02911	1.4
74.11853	0.2
79.05462	0.6
81.03410	9.4
81.07038	1.1
83.01341	0.3
83.04964	0.4
85.02896	13.5
87.00822	4.2
87.04443	0.4
89.06012	0.4
91.05442	0.7
93.07021	1.1
95.04945	0.6
95.08562	0.9
97.02888	4.6
97.10165	0.3
99.04448	2.8
101.02348	0.4
103.03904	0.6
103.05389	0.3
105.01853	2.2
105.07002	1.1
107.04878	0.4
107.08556	0.7
109.02871	7.4
109.06452	0.5
109.10107	0.7
115.03890	0.4
115.05392	0.2
115.99065	0.2
117.01826	0.6
117.06967	0.3
119.04871	0.4
119.08548	0.6
121.10123	0.8
123.04385	0.9
127.03903	9.4
129.01785	0.9
131.04887	0.3
131.08527	0.6
133.02843	0.5
133.10086	0.9
134.03552	0.3
135.04402	0.3
135.08067	0.3
137.05818	0.3
145.04953	2.3
145.10143	0.6
147.02887	0.4
147.04329	0.8
147.11621	0.4
148.05154	1.1
149.05934	0.6
149.13243	0.3
151.03926	0.3
151.07413	0.3
153.01759	0.5
157.10088	0.3
159.02887	2.8
159.04170	0.5
159.11696	0.3
161.06078	0.3
163.03810	0.3
163.06097	0.3
163.07500	0.2
167.06973	0.8
173.05995	0.4
175.11246	0.2
184.05075	0.4
185.05981	0.3
187.07578	0.4
189.16359	0.6
195.02745	0.3
198.06795	0.3
200.03104	0.3
201.05403	0.6
201.59206	0.2
213.03873	0.7
214.06306	0.3
215.06929	0.3
217.05153	0.2
219.06517	0.6
225.05415	0.3
226.06102	0.4
227.06880	0.4
229.04941	0.9
231.04962	1.1
243.06520	0.5
244.07289	2.5
253.04959	0.5
255.06450	2.4
257.04434	0.7
265.04745	0.3
270.05356	0.3
271.05884	0.7
272.06735	1.0
282.05173	0.9
283.05991	0.7
285.03952	1.6
285.06833	0.3
297.07520	1.4
298.04724	1.3
298.07932	0.3
299.05417	1.7
300.06238	3.8
301.06805	0.3
309.07446	0.6
310.04678	1.9
311.05508	0.6
313.03375	3.9
313.07040	3.6
314.04074	0.5
315.04831	0.6
315.08459	0.5
322.04639	0.4
324.06201	0.6
325.07071	2.0
327.04901	1.8
328.05734	35.0
329.06207	1.7
337.07123	1.0
339.08722	0.3
339.12354	0.3
341.06482	1.9
343.08078	94.9
344.08490	2.2
352.05737	0.4
353.10117	0.4
353.13943	0.5
355.08154	3.0
363.08704	0.7
367.08121	0.5
369.13245	1.0
379.11481	0.3
381.09628	0.3
385.09085	2.2
393.13284	0.5
397.12906	0.4
399.14337	100.0
400.14581	2.4
411.14407	1.8
441.15567	0.7
516.12207	0.2
529.11829	0.3
563.40662	0.2
591.13580	0.4
601.37268	0.8
647.21277	0.8
647.36206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01863	0.7
55.05480	0.3
57.03431	1.0
60.74542	0.1
61.02924	0.9
61.67608	0.1
65.03900	0.2
66.28957	0.1
67.05467	0.4
68.99771	0.7
69.03422	6.4
69.07020	0.1
69.97433	0.6
71.01313	0.2
71.04990	0.6
71.05290	0.2
73.02906	1.0
79.01830	0.2
79.05463	0.2
79.18314	0.1
81.03410	4.7
81.07014	0.3
83.01283	0.3
85.02896	6.8
85.06524	0.2
87.00825	2.3
87.04424	0.3
91.03909	0.3
91.05470	1.4
95.01263	0.2
95.04913	0.4
95.08561	0.4
97.02886	2.9
99.03848	0.1
99.04446	1.8
101.02331	0.2
103.03948	0.7
105.01863	1.1
105.03360	0.1
105.07010	0.2
107.04919	0.3
107.08541	0.1
109.02874	4.1
109.10093	0.2
115.03831	0.2
117.01804	0.2
117.03288	0.3
119.04918	0.8
119.08497	0.2
121.10069	0.2
123.04424	0.7
125.54356	0.1
125.75022	0.1
127.03907	5.2
129.01797	0.4
131.04904	0.2
133.10030	0.2
135.04362	0.4
135.11662	0.1
137.02309	0.7
137.05864	0.1
137.66788	0.1
141.01807	0.2
141.05385	0.3
145.04939	1.3
147.02760	0.2
147.03098	0.2
147.04398	2.9
149.02354	0.2
159.02885	1.1
161.02275	0.2
163.03925	0.6
165.05476	1.3
166.07640	0.1
167.03387	0.2
167.06998	0.3
167.08516	0.3
181.04941	0.3
181.06525	0.2
183.06450	0.1
187.03940	0.2
187.05980	0.4
189.03874	0.1
191.03369	2.3
195.08029	0.6
199.07613	0.1
205.06461	0.2
209.04378	1.9
213.03819	0.2
213.09091	0.2
223.07492	0.5
226.06300	0.2
227.06978	0.2
231.04910	0.3
232.58823	0.1
234.95830	0.1
241.08580	0.3
251.07013	0.6
255.06522	0.4
255.93086	0.2
267.06439	0.3
269.08087	1.0
271.05914	0.5
279.06390	0.6
282.05118	0.2
283.05957	0.1
295.06058	0.5
296.06784	0.3
297.07513	3.7
307.06058	1.0
308.06708	0.1
309.07611	0.5
310.04691	0.5
313.07022	0.2
321.07520	0.2
323.05548	0.5
324.06271	2.6
325.07025	100.0
326.07410	1.7
337.06943	0.2
342.01871	0.1
343.08099	12.1
349.07025	0.3
353.10175	0.2
355.08121	0.6
367.08011	3.3
379.07971	0.3
381.08472	0.2
381.13309	4.3
399.14349	33.6
400.14743	0.7
411.14377	0.2
413.31189	0.1
431.31259	0.2
441.15466	0.3
451.09814	0.2
469.11298	0.6
487.12399	1.1
505.13431	1.1
529.13214	1.2
543.18652	0.4
547.14453	2.0
555.11444	0.3
561.19684	6.8
562.19910	0.2
573.12329	2.8
585.19470	0.5
591.13422	8.5
603.20526	1.6
611.16711	0.2
629.18463	3.1
647.19623	18.9
648.20081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45859	0.4
53.03942	2.8
55.01864	2.4
55.05511	2.3
57.03427	3.8
57.07050	0.6
57.22387	0.4
58.06595	0.4
59.04984	0.8
60.49843	0.3
61.02910	3.1
65.03918	0.9
67.05499	3.5
68.99768	1.8
69.03423	18.7
69.07068	2.4
69.69154	2.2
69.69566	0.7
70.06570	1.3
71.01329	0.7
71.04974	2.5
72.08125	0.5
73.02917	3.5
79.05467	1.4
81.03410	15.6
81.07046	5.5
83.04961	1.1
83.08592	0.9
84.08147	2.3
85.02898	24.2
85.06528	2.0
85.07641	0.5
87.00825	5.0
87.04461	1.3
91.05461	3.0
93.07024	3.4
95.04942	1.5
95.08594	4.2
96.28989	0.4
97.02268	0.7
97.02884	11.0
97.06499	1.1
97.10144	0.4
98.09689	5.5
99.04447	5.8
101.02365	0.7
101.06010	1.0
103.03942	2.9
105.01867	2.2
105.07020	2.6
107.04935	2.3
107.08572	3.3
109.02869	12.6
109.06496	1.3
109.10126	3.4
110.10489	0.4
111.04456	1.0
111.08063	0.5
115.03888	0.8
115.05460	0.7
117.01850	0.6
117.06976	0.7
119.04926	2.2
119.08556	1.7
121.02855	2.7
121.06473	1.2
121.10133	2.3
123.04441	3.3
123.11661	1.2
124.80437	0.5
125.05958	1.3
125.09568	0.5
127.02950	0.9
127.03901	18.1
128.10695	0.7
129.01819	1.7
129.06978	0.8
131.04909	1.3
131.08539	1.1
133.02850	0.5
133.06422	0.6
133.10094	2.0
134.03645	0.8
135.04414	0.5
135.08069	0.8
135.11655	1.7
137.05937	1.6
137.09608	0.8
139.07518	0.5
139.11201	0.5
141.01721	0.6
141.05473	0.6
141.06909	0.5
143.08542	0.9
144.78738	0.4
145.02815	0.6
145.04912	3.2
145.06485	0.8
145.10092	2.0
146.11746	0.8
147.04385	2.8
147.11650	1.3
148.04738	0.6
149.02325	0.6
149.05928	1.2
149.09579	1.2
149.13231	0.9
151.03879	0.6
151.07507	2.7
152.07901	0.4
153.01837	0.7
153.05435	1.4
153.06917	0.5
155.08473	0.9
157.06488	0.6
157.10130	1.1
158.11755	0.6
159.02893	2.0
159.11659	0.9
161.05925	0.7
161.09637	0.5
161.13213	0.8
163.03856	0.8
163.07404	0.5
163.11143	1.0
165.05470	0.7
165.09067	0.9
167.03378	0.8
167.07039	3.2
167.10712	0.4
169.10181	0.5
171.04282	0.5
171.06578	0.4
171.08015	0.8
173.09521	0.6
175.03856	1.0
175.07486	0.8
175.14784	0.9
177.05486	0.9
177.09094	0.5
179.03304	0.6
181.05014	0.5
181.06548	0.5
181.08530	0.5
181.12064	0.5
185.09503	0.6
187.06015	1.6
187.14783	0.6
189.05458	0.9
189.09094	0.7
189.16312	0.5
191.03384	1.1
191.10684	1.0
192.11008	0.5
193.04984	0.4
195.02956	0.5
195.08020	0.9
197.11676	0.7
199.07530	1.1
199.14815	0.7
201.16353	0.4
203.03427	0.5
203.10632	0.5
205.12146	0.7
207.02866	0.5
207.06512	1.2
207.13728	0.8
209.04373	0.5
211.07434	0.9
213.05580	0.8
217.04893	0.5
219.02789	1.0
219.06392	0.6
219.17337	0.6
227.06912	1.0
231.04904	1.0
246.10228	0.7
255.06454	10.1
256.08881	0.7
260.08420	0.4
261.11215	0.9
265.08749	0.9
267.06607	0.5
271.11349	0.6
274.09940	1.1
280.07150	0.6
281.08167	1.1
283.06021	1.3
290.09177	0.5
290.16052	0.5
291.06427	0.4
293.08023	4.1
295.06287	0.5
297.07492	1.4
301.08371	0.6
303.09949	0.6
305.08017	1.2
305.11407	0.6
306.08963	0.7
307.06076	0.6
307.09561	1.2
308.06915	0.7
309.07541	38.0
310.04761	1.0
310.08002	0.7
311.08804	0.5
313.07153	0.7
316.10785	0.4
317.11594	0.9
318.09042	0.9
319.09644	1.1
321.07532	7.2
321.11136	1.7
323.09061	1.1
325.07053	2.9
327.08450	3.6
329.07495	0.5
331.09525	0.9
333.07510	2.3
333.11118	0.7
334.08170	2.4
335.09177	3.9
335.12817	0.9
337.06937	0.8
337.10690	0.7
339.08594	1.9
339.12305	0.6
345.07056	0.9
345.11191	14.3
346.08209	2.3
347.09079	2.3
348.09860	4.0
349.06750	0.5
349.10660	1.0
351.08502	2.4
355.11893	0.7
361.10648	5.9
362.11475	1.1
363.12234	58.0
364.08844	2.3
364.13187	1.0
365.10168	1.3
379.11743	13.9
380.12518	0.5
381.13287	100.0
382.13623	1.6
383.11185	0.6
387.12253	1.5
391.11920	0.6
393.13232	1.3
395.11047	0.5
399.13962	1.5
405.13351	5.5
409.12811	1.4
411.10699	0.6
413.12277	0.5
413.30557	0.6
423.14340	3.3
429.13354	0.6
431.31564	1.2
434.05600	0.5
449.15952	1.3
449.32504	1.9
467.17020	6.5
467.34015	2.0
471.13727	0.6
485.18057	10.7
485.34363	0.9
489.13876	1.6
531.14819	1.2
541.16766	2.4
543.18542	16.2
544.18811	0.6
561.19513	0.6
567.18634	0.5
575.13574	4.9
585.19647	15.4
611.17383	6.9
629.18530	56.6
630.18671	1.4
646.45148	0.9
647.20868	2.1
647.32739	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28199	1.5
66.44295	1.2
70.96957	1.4
108.42020	1.4
136.23969	1.5
356.43600	1.5
403.18872	2.2
429.16525	1.8
431.18118	2.7
433.23825	5.5
444.19174	4.3
445.20166	5.2
459.21729	69.8
459.28186	3.5
460.22452	11.0
461.23526	8.3
473.23523	2.6
476.22415	1.6
487.25290	2.1
491.24084	2.3
505.26117	4.0
519.23535	14.7
531.23883	6.0
546.26318	3.7
547.27063	48.8
548.26965	2.1
563.26575	2.4
574.25360	4.5
591.26202	6.8
606.28290	100.0
607.28363	4.9
646.30493	7.2
665.51263	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	645.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41699	0.3
53.03940	0.3
55.02980	0.9
55.05503	0.7
57.03423	0.5
57.25280	0.2
60.05630	0.7
61.02902	0.4
65.03944	0.6
68.33073	0.2
69.03426	2.2
69.65773	1.9
70.06585	2.3
71.04974	0.3
72.05614	0.2
72.08148	12.8
73.02905	0.4
75.79111	0.2
79.54402	0.2
81.03402	0.8
82.02929	0.6
84.08123	0.7
85.02900	3.1
86.09675	0.6
87.04458	0.4
89.10757	0.4
91.05468	7.0
95.04945	0.2
96.08128	0.4
97.02875	1.8
97.07646	6.7
98.02396	0.7
98.06065	0.4
98.09663	0.3
98.21490	0.3
99.04442	0.5
103.05415	0.3
107.04967	0.8
109.02862	0.6
110.02391	27.1
111.04443	0.3
112.08749	0.4
114.10279	34.6
115.08675	1.4
119.04930	14.4
123.04478	0.3
127.03901	1.4
129.10323	0.2
131.04869	0.3
131.12903	1.3
137.05986	0.3
144.06618	0.3
145.02802	0.3
145.06473	0.9
147.04396	32.7
148.04765	0.4
151.08626	1.2
151.87369	0.2
152.07054	20.9
157.03983	0.8
157.10837	0.5
167.07010	0.8
169.09738	3.1
171.04424	0.3
173.06007	0.9
175.03893	19.0
177.05487	0.5
177.07057	0.3
179.06992	0.5
181.06505	0.7
185.09564	0.5
189.05585	0.2
194.09254	2.2
195.08014	0.3
205.08640	0.4
207.06511	25.0
211.11882	13.4
213.09088	1.7
217.13280	1.2
218.11703	1.4
229.43578	0.2
231.06487	0.4
235.14304	0.4
241.08542	2.8
245.11572	0.4
249.61421	0.3
258.08945	0.4
259.15454	0.9
260.13901	1.4
273.11200	4.1
277.16632	5.9
278.13980	0.5
303.13937	0.3
319.17673	1.0
320.16064	0.7
330.13376	0.6
337.18668	6.1
410.42679	0.2
424.17545	0.8
441.20419	0.4
457.49951	0.3
466.19601	0.5
483.22400	6.0
499.24045	1.2
645.27588	100.0
646.27704	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	645.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01875	0.7
55.05512	1.2
57.03431	1.0
61.02934	0.8
65.03935	0.2
67.05164	0.2
67.05501	3.4
68.99776	0.6
69.03078	0.3
69.03430	5.2
69.06754	0.2
69.07069	1.7
70.06580	0.2
71.01341	0.3
71.04985	0.9
72.08144	0.3
73.02924	0.9
79.05063	0.2
79.05494	2.8
81.03415	4.2
81.07053	4.5
83.04977	0.3
83.08615	1.0
85.02902	6.5
85.06535	0.3
87.00824	1.9
91.03948	0.2
91.05475	2.9
93.07043	4.1
94.07365	0.1
95.04961	0.7
95.08042	0.2
95.08608	3.1
97.02892	2.4
97.06523	0.4
97.10173	0.5
98.21505	0.3
99.04440	1.4
103.03925	0.6
105.01883	0.8
105.07021	3.6
107.04940	0.5
107.08592	2.3
109.02874	2.8
109.06497	0.4
109.10155	1.1
111.08043	0.2
115.03929	0.3
115.05430	0.2
117.01788	0.2
117.07030	1.4
119.04944	0.3
119.08573	2.8
120.32827	0.2
121.06492	0.5
121.10134	1.9
123.04404	0.3
123.08037	0.5
123.11703	0.4
125.09620	0.4
125.70885	0.1
127.03915	4.4
129.01839	0.5
129.06993	0.9
131.04852	0.2
131.08572	2.8
133.06541	0.2
133.10138	2.1
135.04372	0.2
135.08005	0.3
135.11678	1.1
137.05966	0.5
137.09601	0.2
138.96953	0.2
141.06987	0.4
143.08571	1.1
145.04947	0.9
145.06497	0.2
145.10100	2.4
147.04439	0.4
147.07988	0.2
147.11652	1.2
149.09634	0.2
149.13242	0.4
150.03091	0.2
151.03894	0.9
155.08537	0.4
157.06590	0.2
157.10121	1.1
159.02898	1.0
159.04129	0.2
159.11725	1.0
161.06013	0.3
161.09686	0.3
161.13260	0.5
163.03844	0.1
163.07478	0.2
163.11137	0.2
165.05510	0.5
167.07054	2.2
168.07263	0.3
169.10133	0.6
170.50783	0.2
171.11665	1.1
173.05937	0.3
173.09604	0.2
173.13266	0.7
175.07439	0.2
175.11171	0.2
175.14850	0.2
177.09061	0.2
177.12697	0.2
181.10109	0.3
183.11687	0.4
185.06078	0.3
185.13208	0.7
187.06010	0.2
187.14824	0.4
189.03961	0.3
189.05522	0.6
189.09045	0.2
190.06200	0.4
191.10606	0.2
195.11749	0.3
197.13232	0.4
199.14839	0.5
205.08600	0.2
207.13916	0.2
211.14841	0.5
213.16446	0.4
216.04143	0.2
217.04962	0.5
225.16412	0.5
227.17921	0.2
229.16016	0.2
231.04843	0.2
233.04466	0.2
233.07967	0.2
235.16942	0.2
243.17349	0.3
257.19009	0.3
261.18628	0.3
265.08688	0.2
293.08084	0.3
295.06232	0.3
296.06555	0.2
305.08240	0.2
307.06018	0.4
309.07474	0.3
309.11203	0.2
310.04642	0.2
311.09024	0.3
319.09558	0.3
321.07578	0.4
322.08423	0.4
324.06104	0.4
325.07056	0.6
325.10431	0.2
325.25253	0.2
328.05774	0.5
335.09213	0.3
336.06363	0.2
336.09952	0.2
337.07104	0.5
337.10760	0.6
337.25238	1.2
338.04187	0.3
338.07846	0.2
339.05045	0.2
339.08563	1.6
340.05609	0.3
341.06500	0.3
343.08057	0.9
343.26535	0.3
347.08987	0.3
349.06961	0.9
349.23651	0.3
350.07977	0.8
351.08694	0.5
352.01721	0.3
352.05762	4.9
353.06506	1.9
353.10291	0.4
354.07367	0.4
355.08063	0.9
355.26297	2.4
361.10645	0.2
363.08688	0.3
364.09467	0.9
365.06348	0.3
365.10193	1.3
367.08102	17.8
368.08490	0.4
368.12653	0.3
369.09570	0.2
369.13852	0.2
373.27350	1.0
379.11722	1.2
381.09686	0.5
382.10397	4.0
391.28265	0.5
395.11285	0.6
397.12808	100.0
398.13080	3.1
409.09586	0.2
417.29980	0.9
421.29337	0.2
429.29965	2.5
435.31177	1.3
439.13989	1.4
447.31024	13.1
463.13828	0.2
465.32001	3.5
559.18207	1.4
627.17059	0.5
645.17950	3.4
657.43225	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	645.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01876	0.9
55.05489	0.2
57.03431	0.9
61.02933	0.8
67.05494	0.2
68.99787	0.6
69.03426	5.5
69.07041	0.3
69.84742	0.1
70.06550	0.1
70.12366	0.4
71.01323	0.2
71.04997	0.5
72.08140	0.1
73.02910	1.0
75.96382	0.1
79.05501	0.3
81.03413	5.0
81.07060	0.6
82.00247	0.1
83.01340	0.1
83.08635	0.1
85.02901	8.3
87.00826	2.8
87.04436	0.2
91.03947	0.2
91.05448	0.3
93.07032	0.4
95.04935	0.2
95.08583	0.4
97.02280	0.1
97.02885	2.3
98.06091	0.1
98.20746	0.1
99.04453	1.6
101.02358	0.1
103.03939	0.3
105.01865	1.7
105.07001	0.3
107.04105	0.1
107.04861	0.2
107.08599	0.2
109.02872	3.5
109.10140	0.2
115.03896	0.1
117.01846	0.4
117.05443	0.1
119.04903	0.2
119.08543	0.2
121.06519	0.2
121.10158	0.1
123.04425	0.1
127.03912	5.5
129.01843	0.6
131.08707	0.1
133.10153	0.2
137.02345	0.1
137.05974	0.3
139.07466	0.1
143.08563	0.2
145.04951	1.4
147.02853	0.4
147.04358	0.4
149.05968	0.4
151.03899	0.2
151.07520	0.2
153.05492	0.1
159.02878	1.8
161.06039	0.1
163.14742	0.1
167.07030	1.8
168.07425	0.3
177.05420	0.2
189.05489	0.2
191.03395	0.2
195.02806	0.1
201.05571	0.1
213.03801	0.2
213.05695	0.1
215.03384	0.2
217.04897	0.7
229.04884	0.7
231.04887	0.5
231.06876	0.9
235.05966	0.5
247.06018	0.1
249.07550	0.3
255.06502	0.1
277.08554	0.2
279.06442	0.1
279.09961	0.2
281.08099	0.1
283.06165	0.5
283.09659	0.1
291.10294	0.1
293.07986	0.2
294.05164	0.3
295.06195	0.2
295.09641	0.9
299.05457	0.2
305.08066	0.4
306.08856	1.0
307.06229	0.1
307.09659	0.4
309.07526	0.7
310.04602	0.1
311.05527	1.4
311.09109	0.2
311.67371	0.1
318.08841	0.1
319.05499	0.1
319.09561	0.3
321.07544	0.2
322.08246	0.1
323.05386	0.2
323.09116	2.8
323.12915	0.2
324.06265	0.4
325.07056	1.2
325.10657	0.1
328.05670	0.2
333.07568	0.9
334.08371	2.8
335.08963	0.9
336.09659	0.2
337.07135	0.3
337.10706	0.6
339.08624	1.6
343.07977	0.7
347.09198	0.4
349.06985	0.3
349.10706	0.8
350.07660	0.2
351.08621	8.8
352.09344	0.5
353.10040	0.3
357.09763	0.5
361.10791	0.3
362.07791	0.5
363.08475	0.4
364.09372	1.0
365.10217	1.8
366.10928	0.5
367.07990	0.3
367.11920	0.8
369.13629	0.1
377.10110	0.4
378.11258	0.1
379.11740	1.6
380.08829	3.0
380.13596	0.2
381.09290	0.7
381.13757	0.2
382.10458	3.1
383.11017	0.3
395.11243	4.2
396.11777	0.3
397.12796	100.0
398.13135	1.9
413.12311	0.2
417.15298	0.2
421.12817	0.4
439.13919	0.4
447.18286	0.1
465.19278	0.3
523.22913	0.2
527.15564	0.2
529.67920	0.1
541.16907	0.1
545.16229	0.3
601.17926	0.1
645.18481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01832	0.8
55.05506	0.2
57.03426	1.8
59.36942	0.2
61.02922	1.3
65.03927	0.2
67.05455	0.5
68.37447	0.2
68.99772	1.2
69.03423	10.4
69.60332	1.5
71.01334	0.2
71.04998	1.3
73.02910	2.0
79.05457	0.4
81.03407	8.2
81.07017	0.5
83.01309	0.2
83.04926	0.3
85.02898	11.8
87.00823	4.0
87.04411	0.6
91.03879	0.2
91.05441	0.4
93.06982	0.4
97.02885	4.5
98.20707	0.2
99.03839	0.2
99.04439	2.9
101.02371	0.3
101.65445	0.2
103.03884	0.8
105.01855	1.9
105.03356	0.3
105.06984	0.3
107.04913	0.4
107.08527	0.3
109.02870	5.6
111.04377	0.3
112.88922	0.2
115.03884	0.2
115.05397	0.2
117.01795	0.5
117.77345	0.2
119.04913	0.3
121.02834	0.5
121.10095	0.3
123.04398	0.8
127.03908	8.4
128.06180	0.3
129.01843	0.9
131.04881	0.3
134.03587	0.3
135.04356	0.5
137.02338	1.1
137.03267	0.2
137.05908	0.3
138.04359	0.2
139.03841	0.2
141.06929	0.2
143.08502	0.3
145.04942	1.9
147.02864	0.3
147.04355	0.6
153.01848	0.2
155.08469	0.2
159.01706	0.2
159.02901	2.1
159.04195	0.3
160.80428	0.2
161.02293	0.6
163.03885	0.5
165.06931	0.2
167.06984	0.8
167.08485	0.3
171.08002	0.3
175.03780	0.4
175.52856	0.2
177.01788	0.4
187.05948	0.4
189.05345	0.2
191.03404	0.3
195.02806	0.5
195.08011	0.5
199.07430	0.4
203.03307	0.5
203.08534	0.2
209.04289	0.3
211.07593	0.3
213.05531	0.3
213.09029	0.2
217.04846	0.2
219.02885	0.5
219.07956	0.2
223.07443	0.2
227.07010	1.2
231.04926	0.7
245.07983	0.4
259.11017	0.2
265.08652	0.2
269.09766	0.2
271.05783	0.3
279.06430	0.3
281.08078	0.6
283.05878	0.3
287.10663	0.5
290.09348	0.4
293.07922	0.2
297.07480	0.4
299.05554	0.6
305.08145	0.3
305.11615	0.6
309.07507	2.4
313.07065	0.6
315.10150	0.3
318.08813	0.4
319.06082	0.2
319.09586	0.4
321.07507	0.5
321.11160	0.3
322.08273	0.3
323.05713	0.3
323.09140	0.6
323.12881	0.2
324.06140	0.6
325.07031	17.0
326.07492	0.3
333.11145	0.8
335.09180	0.5
336.06158	0.3
336.09860	0.4
337.07016	4.2
337.10742	1.0
339.04996	0.2
339.08624	0.7
340.34445	0.2
343.09167	0.6
347.09128	0.6
349.06989	1.8
349.10626	0.3
350.07712	2.0
351.08603	1.6
351.12494	0.6
355.08115	0.4
360.09821	0.3
361.10657	8.5
363.08627	1.7
364.09369	2.5
367.08142	0.4
378.10934	1.1
379.11740	40.3
380.12607	1.1
381.09537	0.4
382.10468	0.2
395.11322	0.3
397.12787	100.0
398.13217	2.5
403.11890	0.4
407.11356	0.4
421.12833	1.6
433.12961	0.2
439.13733	1.6
559.18079	6.0
560.18481	0.3
601.19153	3.2
627.16638	2.0
641.96204	0.2
645.18073	20.5
646.18890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28001	0.3
53.03967	1.6
55.01887	1.2
55.05532	0.8
57.03427	2.3
61.02920	2.1
67.01875	0.4
67.05522	1.5
68.99809	0.8
69.03426	11.7
69.07103	0.6
69.95765	1.7
71.01378	0.6
71.05005	1.7
72.08157	0.6
73.02910	2.5
79.05516	1.4
81.03411	9.8
81.07053	3.0
83.08647	0.5
85.02898	12.9
85.06547	0.9
87.00825	3.0
87.04476	1.0
91.03990	0.4
91.05475	1.8
93.07047	2.4
95.01381	0.4
95.04993	0.9
95.08609	1.7
97.02890	6.6
97.10175	0.3
99.04440	3.1
103.03978	1.3
105.01896	1.5
105.07052	1.1
107.04977	1.2
107.08607	1.3
109.02870	6.4
109.10172	1.3
111.04443	0.4
117.07053	0.5
119.04946	0.8
119.08632	0.7
121.06535	1.2
121.10194	0.8
123.04442	2.8
123.11698	0.7
125.06052	0.5
127.03906	8.6
127.04780	0.6
129.01884	0.7
129.07021	0.8
131.04942	0.4
131.08553	0.8
133.02861	0.7
133.06494	0.6
133.10182	0.8
135.04456	0.8
135.11687	0.6
137.02357	2.1
137.05989	1.3
139.07539	0.4
141.06926	0.4
143.08566	0.9
145.04996	2.1
145.06519	0.4
145.10152	0.5
147.04369	2.0
147.11705	0.8
148.04642	0.3
149.06006	1.6
149.09636	0.6
149.13280	0.5
150.06474	0.4
151.03928	2.4
151.07555	1.9
153.05438	0.6
157.06541	0.5
157.10155	0.8
159.02968	0.8
159.04282	1.0
159.07883	0.4
161.02336	0.8
163.03986	0.6
163.11188	0.5
166.08563	0.4
167.07039	19.7
168.07376	5.1
169.07552	0.9
171.08121	0.8
173.05891	0.4
175.07603	0.8
175.11305	0.4
176.04434	0.5
177.09128	0.6
179.03407	0.4
181.04974	0.5
183.08029	0.6
187.06081	0.9
187.07512	0.8
187.11221	0.4
189.09300	0.3
191.03490	0.9
191.10770	0.4
193.08597	0.4
199.07582	0.7
200.04614	0.4
201.05399	0.4
201.09178	1.1
203.03445	0.7
203.07022	1.4
203.10696	0.3
213.09117	0.5
216.07526	2.8
216.09306	0.3
217.08611	0.4
227.06996	3.2
229.04829	0.8
233.08092	1.4
235.07652	0.4
241.08655	0.6
243.06454	0.5
245.08122	1.5
269.07941	0.6
271.05988	0.8
283.09769	0.5
295.05966	0.6
297.07721	0.5
299.05447	1.1
305.11658	0.5
307.06158	0.7
309.07617	2.6
310.04706	1.5
310.07791	0.4
311.05539	0.7
311.09042	0.7
313.06940	2.5
318.08926	0.6
321.07474	1.1
321.11148	0.4
322.04822	0.9
322.08154	0.4
323.05481	0.8
323.09024	0.8
324.06125	0.6
325.07025	16.7
333.07574	0.6
333.11258	1.4
335.05630	0.7
335.08847	1.8
336.06192	0.5
337.07034	6.5
337.10608	0.6
339.08514	0.9
339.12286	0.4
343.09253	0.6
346.08337	1.0
347.09119	1.1
349.07022	1.5
349.11066	1.3
350.07840	1.6
351.08545	1.1
351.12277	1.7
361.10699	7.8
362.07513	0.6
363.08450	3.7
364.09366	2.4
365.10355	1.1
367.11728	8.8
373.13947	0.7
377.10202	1.3
378.11111	2.2
379.11737	100.0
380.12241	2.3
383.11038	1.2
391.13498	1.3
392.12573	1.0
393.13284	12.8
397.12729	58.0
398.13092	1.6
403.11942	0.4
421.12848	3.9
429.29633	0.6
435.13000	0.5
439.13593	0.9
446.33810	0.4
447.30496	0.4
451.31775	0.5
464.34518	0.6
465.35480	0.5
499.12289	0.6
523.16199	0.6
541.16821	1.6
545.16492	1.4
559.17920	11.4
583.17822	1.9
601.21442	7.7
602.21674	0.4
627.16797	6.6
645.17981	55.3
646.17639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03932	0.8
55.05495	0.4
67.05500	0.4
70.69448	0.9
73.06549	0.3
77.03901	0.5
79.05491	4.1
81.03437	0.3
81.07053	0.8
81.88218	0.2
87.04464	2.5
89.06020	13.9
91.05447	1.9
93.07043	2.6
94.07366	0.3
95.04967	1.9
95.08588	0.6
103.05459	4.1
105.07021	100.0
106.07341	0.6
107.07071	0.6
107.08543	0.4
117.07010	0.4
119.04940	0.6
119.08581	0.6
119.44093	0.3
121.06493	13.4
121.10126	0.3
130.08580	0.5
131.07027	0.7
131.08568	1.7
133.08588	10.4
139.07521	0.3
141.79179	0.3
147.08012	1.3
149.09630	0.4
165.09100	4.0
166.07791	0.4
175.09615	0.5
177.11217	2.2
181.10187	0.4
184.94827	0.3
195.12306	0.3
201.88301	0.3
209.11638	0.7
209.13272	1.8
209.14964	0.4
218.01105	0.3
221.13843	0.8
223.11195	0.4
223.53189	0.2
225.12741	2.0
227.12775	1.4
251.14255	2.5
253.16011	0.3
269.15314	1.6
271.15430	0.6
313.18057	0.8
315.17993	19.3
327.17389	0.6
329.19110	1.1
335.25742	0.5
373.21454	0.9
419.24243	32.1
420.24817	0.6
477.27457	0.4
521.28583	0.3
523.30530	6.2
626.44769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
52.11104	0.3
53.03936	0.8
53.94051	0.2
55.05495	0.4
58.99490	0.2
67.05498	0.8
69.07059	0.4
69.93583	0.2
69.93919	0.8
77.03944	0.4
77.55084	0.3
79.05488	5.1
81.07037	0.7
87.04469	2.5
88.96783	0.2
89.06024	14.3
91.05469	1.7
93.07044	2.5
95.04968	2.5
95.08612	0.5
98.21383	0.3
100.80252	0.2
101.04057	0.2
102.73157	0.3
103.05463	3.6
105.07024	100.0
106.07343	1.0
107.07069	0.9
107.08526	0.3
109.06537	0.3
109.10181	0.2
110.74979	0.2
117.07004	0.3
119.04959	0.4
119.08569	0.8
121.06499	11.6
121.10117	0.5
129.06987	0.6
130.08672	0.7
131.07036	0.6
131.08572	1.7
133.08597	10.3
133.10109	0.4
139.07565	0.3
147.08057	1.0
149.09616	0.5
165.09103	3.6
166.07806	0.4
168.65208	0.2
175.09683	0.4
177.11212	2.3
197.06273	0.3
209.11676	0.9
209.13380	1.4
221.13803	0.7
223.11264	0.3
225.12727	2.4
227.12712	1.5
251.14288	2.5
269.15417	1.5
271.15356	0.5
292.19925	0.2
298.86627	0.2
313.18222	1.3
315.18011	20.0
327.17307	0.7
329.19000	1.1
348.22018	0.3
373.21552	0.8
419.24271	32.3
420.24829	0.4
521.29541	0.3
523.30536	6.2
524.30817	0.3
666.94720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
53.18024	0.1
55.01856	0.3
55.05515	0.7
57.03425	0.4
57.07073	0.2
61.02907	0.3
62.22663	0.1
65.03930	0.2
67.01842	1.3
67.02168	0.1
67.05500	1.3
68.99776	0.1
69.03421	1.1
69.06768	0.1
69.07065	1.2
69.90737	0.4
69.91165	0.3
70.06590	0.6
70.13444	0.1
71.01356	0.1
71.04974	0.3
72.08134	0.2
73.02902	0.2
77.03924	0.1
79.05488	0.6
81.03420	0.6
81.07053	3.5
83.01344	0.2
83.04965	0.4
83.08607	0.5
84.08128	0.1
85.02406	0.2
85.02899	2.5
85.06537	1.5
89.42561	0.1
91.03932	0.1
91.05470	1.7
93.07040	5.8
94.07364	0.1
95.04967	1.1
95.08596	2.5
97.02896	1.1
97.06507	0.4
97.10148	0.3
99.04442	0.3
99.08065	0.5
103.05447	0.3
105.04534	0.1
105.07022	0.9
107.04951	0.3
107.08592	1.2
109.02862	0.4
109.06505	0.4
109.10146	2.2
111.04421	0.2
111.08070	0.8
111.11679	0.1
112.07599	0.4
115.05402	0.1
119.04927	0.3
119.08543	0.6
121.06496	2.3
121.10150	1.0
123.04408	0.4
123.08051	0.5
123.11705	0.8
125.05991	0.3
125.09595	0.3
127.03929	0.8
127.11189	0.2
131.04897	0.1
131.08557	0.3
133.06458	0.1
133.10115	0.5
135.08017	0.4
135.11687	0.8
137.05960	0.7
137.09605	0.2
137.13254	0.4
138.06715	0.3
139.03888	0.1
139.07536	4.2
140.07007	0.2
145.02884	0.1
145.04948	0.2
145.06477	0.1
145.10097	0.3
147.04402	0.8
147.08055	0.2
147.11674	0.4
148.04768	0.3
149.05969	5.1
149.09578	0.2
149.13275	0.8
150.06316	0.1
151.07527	3.8
151.14774	0.1
152.07886	0.2
153.05463	0.5
153.09081	0.2
155.07018	0.2
157.10085	0.2
159.08022	0.1
159.11652	0.2
161.05986	0.3
161.09595	0.2
161.13277	0.2
163.07529	0.3
163.11131	0.2
163.14825	0.4
165.05493	0.2
165.09093	0.3
166.06290	0.6
167.07027	100.0
168.07362	1.6
169.07591	0.1
169.10057	0.2
171.06529	0.1
171.11652	0.1
173.09590	0.2
175.07527	0.4
175.11118	0.2
175.14851	0.2
177.05464	0.2
177.09088	0.3
177.16391	0.3
179.10638	0.2
181.04945	0.9
181.08501	0.5
181.12227	0.3
187.07533	0.1
187.14862	0.2
189.09062	0.2
189.12639	0.2
191.07100	0.8
191.10635	1.5
193.08542	0.2
193.12195	0.1
195.06500	0.1
203.10674	0.3
203.17857	0.1
205.08607	0.1
205.12181	0.8
207.06512	0.1
207.10179	0.9
209.11649	0.2
217.08549	0.1
217.12256	0.2
219.13812	0.2
235.13179	0.2
259.16888	0.1
263.09174	0.1
271.05948	0.1
273.25851	0.2
279.26831	0.3
283.16803	0.1
291.26804	0.9
293.04395	0.1
295.05927	0.2
295.26166	0.2
297.27850	0.3
301.07318	0.1
309.27872	0.3
311.05484	0.3
319.09918	0.1
319.19159	0.2
325.07028	0.3
339.08743	0.2
347.09146	0.3
350.07547	0.2
353.10266	0.1
363.08569	0.1
365.10092	0.6
377.10153	0.1
379.11334	0.2
381.09659	0.3
387.14514	0.1
395.11075	0.3
395.15390	0.2
396.15259	0.1
409.31137	0.3
417.15201	0.2
427.32526	1.4
445.33353	4.9
446.33560	0.1
462.33301	0.2
463.16934	0.4
463.34268	11.0
464.34595	0.4
473.51419	0.1
480.34598	0.1
481.18515	0.3
481.32101	0.4
481.34555	0.4
607.84741	0.1
625.22272	0.7
627.61438	0.1
643.17645	0.4
643.32599	0.3
643.46735	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	643.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	1.1
69.07068	0.6
69.96416	1.1
69.96817	1.8
75.89636	0.4
76.41753	0.4
76.79238	0.5
81.07056	1.3
91.05457	0.8
93.07040	0.6
95.08611	1.0
101.97619	0.5
105.07026	0.5
107.08617	0.5
109.10188	0.6
142.82301	0.4
147.11568	0.4
301.76724	0.4
392.81989	0.5
643.25195	100.0
644.25531	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	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51705	0.5
55.05519	1.5
57.03432	1.1
60.29687	0.4
67.05499	2.4
69.07063	0.8
71.37001	1.1
71.94688	0.4
79.05480	2.3
81.07047	2.4
83.08623	0.8
91.05473	2.3
93.07055	2.4
95.04971	0.7
95.08630	1.9
97.06516	0.6
99.08118	0.7
105.07018	2.7
107.08615	1.8
109.10178	1.1
117.07005	0.9
119.08595	1.2
121.06584	0.7
121.10151	0.9
131.08575	1.0
133.10114	1.1
135.08109	0.5
135.11719	0.7
145.10100	1.0
147.08051	0.5
159.11732	0.5
206.77948	0.5
273.18436	0.8
291.19760	0.6
335.25803	0.7
397.13037	1.2
399.14545	0.6
410.13858	1.3
411.14548	3.4
412.15326	1.5
413.16220	1.2
423.14798	0.6
424.10983	0.7
424.15839	1.3
425.16205	6.1
426.17007	4.4
427.17770	1.1
428.18567	0.5
437.16544	0.6
438.13132	1.6
439.13452	7.5
440.19144	2.8
441.19254	22.8
442.19388	1.4
452.14673	2.7
453.15143	8.2
454.15826	2.5
457.15128	0.7
463.14084	1.1
467.17123	17.5
468.17889	8.3
469.18784	11.5
471.16757	0.7
472.17401	0.7
479.17078	0.5
481.14746	11.6
482.15393	2.8
485.18216	1.3
495.17007	1.7
496.17294	8.8
497.17908	2.6
499.16034	1.0
508.19684	1.0
509.18573	2.1
512.20721	0.8
514.22009	1.1
522.17792	0.9
523.20099	0.6
524.20325	0.6
527.22723	1.7
537.20416	0.8
542.22089	1.2
555.22375	20.2
556.22552	1.8
583.21863	100.0
584.22058	7.1
587.24567	0.8
588.20087	0.5
611.20831	1.1
615.24390	7.0
625.29077	1.2
625.44098	1.6
643.23853	26.2
644.23950	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	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.2
62.06073	0.5
66.89214	0.2
67.05500	0.3
69.58545	0.5
69.58953	1.4
72.73094	0.2
79.05462	0.4
81.07025	0.6
93.07002	0.3
95.08542	0.4
96.08157	0.2
105.06976	0.4
109.10101	0.3
119.08536	0.3
173.25302	0.2
274.37933	0.3
275.20792	0.2
384.12112	0.3
396.12308	1.0
397.12848	1.8
398.13882	0.8
399.14438	0.5
409.13089	0.7
410.13773	2.1
411.14496	6.0
412.15256	3.7
413.16190	1.9
414.16751	0.4
423.15259	1.4
424.11252	1.3
424.16409	2.0
425.16205	12.6
426.16858	9.1
427.17636	2.5
428.18817	1.6
429.15295	0.3
437.11548	0.3
437.16428	0.6
438.13177	2.6
438.17593	1.2
439.13562	15.8
440.13739	1.0
440.19147	4.6
441.19250	39.1
442.19431	2.6
444.18286	0.3
451.13104	0.4
451.18079	0.7
452.14352	3.8
453.15283	17.5
454.15942	5.1
455.21524	0.5
457.14859	1.1
459.20261	0.8
463.14246	0.7
465.15472	0.7
466.11771	0.3
466.17035	0.7
467.17123	26.0
468.17874	15.3
469.18799	12.1
470.18881	1.0
471.16693	1.0
472.17453	0.8
478.16058	0.5
479.17072	0.3
480.17883	1.1
481.14706	12.4
482.15189	3.5
483.16019	0.5
485.18423	1.3
486.19659	0.4
487.19720	0.4
494.17480	0.8
495.16980	2.7
496.17133	13.7
497.17773	2.7
498.18695	0.7
499.15280	0.3
499.19778	1.2
500.20386	0.4
508.19510	0.9
509.18411	2.4
510.19891	0.5
512.20715	1.1
514.22772	3.0
522.17688	0.8
523.19373	1.7
526.18854	0.4
527.23352	3.0
528.23303	0.7
537.19196	0.8
539.18872	0.4
540.20062	0.6
541.20850	0.4
542.22168	0.5
545.24158	0.7
555.22351	32.7
556.22546	1.8
557.23535	0.4
568.19006	0.7
569.19202	0.3
573.23254	0.3
583.21844	100.0
584.22095	6.3
586.20557	0.7
587.25189	2.0
601.22955	0.4
611.21014	1.9
614.23871	1.0
615.24420	13.7
616.24542	0.8
643.23877	79.6
644.24017	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01855	0.8
55.05499	0.5
57.03423	0.8
61.02911	0.5
67.05498	1.0
68.99766	0.6
69.03420	4.2
69.07050	0.9
71.04980	0.4
71.64063	0.4
73.02905	0.4
78.65594	0.2
79.05478	1.1
81.03411	4.2
81.07058	1.1
85.02896	6.6
87.00822	2.0
91.03917	0.3
91.05475	0.8
93.07030	0.6
95.04964	0.3
95.08563	0.5
96.08955	0.2
97.02879	2.3
97.06548	0.3
99.04461	1.8
103.03933	0.4
103.61711	0.2
105.01846	1.1
105.07011	0.7
107.04952	0.4
107.08563	0.4
109.02866	3.1
109.10158	0.3
117.01824	0.3
117.07018	0.2
119.08530	0.4
121.06538	0.3
121.10131	0.6
123.04412	0.9
127.03900	5.2
129.01834	0.6
131.08549	0.4
133.10098	0.5
135.11699	0.2
137.05969	0.6
145.04942	1.2
145.10117	0.2
147.04425	0.5
149.05904	0.3
149.09631	0.3
159.02925	1.1
163.35066	0.2
167.07010	0.3
169.10107	0.3
178.02626	0.3
179.03378	0.3
187.07483	0.2
191.03377	0.9
191.10742	0.2
203.07109	0.2
205.04967	0.2
208.03610	0.3
209.04399	0.4
217.05038	0.2
231.04742	0.4
231.06656	0.5
239.07014	0.4
245.07988	0.2
247.05957	0.2
255.06487	0.4
256.07367	0.2
268.07437	0.3
269.22815	0.2
275.19968	0.4
277.08475	0.3
279.06384	0.4
281.08331	0.4
295.06021	0.5
297.07651	0.4
298.08344	0.5
307.06039	0.3
307.13171	0.2
309.07678	0.3
309.11176	1.1
311.09103	0.3
312.06204	1.0
319.09775	0.2
320.10660	0.3
321.07318	0.3
323.12805	0.3
324.06232	2.2
324.13354	0.3
325.07141	1.3
335.09079	2.0
335.12830	0.7
336.09436	1.9
337.07004	0.6
337.10495	4.1
339.08746	1.0
347.09067	0.6
348.10043	1.0
351.08511	0.3
361.10767	0.3
363.12146	1.9
365.10138	7.7
365.13950	0.5
380.12476	5.3
393.13394	0.5
395.14853	100.0
396.15176	2.4
419.14951	0.3
437.15900	0.7
555.12762	0.3
587.15009	0.4
642.44360	0.3
643.20850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01861	0.3
55.05493	0.6
55.57802	0.2
57.03414	0.8
61.02910	0.6
67.05486	0.9
69.03416	4.1
69.07063	0.4
71.04977	1.0
71.64082	0.3
73.02899	0.8
77.49663	0.2
79.01921	0.2
79.05473	0.6
81.03405	4.3
81.07031	0.9
83.04965	1.0
85.02894	9.2
87.04462	0.3
91.05446	0.7
93.07043	0.4
95.04962	0.4
95.08568	0.7
97.02268	0.4
97.02879	5.6
97.10156	0.2
99.04441	6.6
103.03932	5.6
105.06984	0.5
107.08569	0.3
107.84920	0.2
109.02864	6.0
109.10101	0.5
115.03925	0.3
119.04948	0.3
119.08546	0.5
121.02857	0.3
121.06447	0.4
121.10133	0.5
123.04406	0.6
127.03901	13.3
131.08507	0.6
133.10086	0.3
134.87878	0.2
135.04376	0.2
137.06023	0.2
145.04941	4.9
147.04385	0.4
153.01920	0.2
159.08119	0.2
159.11571	0.2
163.05980	0.9
165.09178	0.2
167.07030	0.8
169.04965	0.4
187.05972	1.3
187.07446	0.2
187.14966	0.3
189.09229	0.2
239.07048	0.4
255.06329	0.2
267.06506	1.8
271.08124	0.9
279.06516	0.5
281.08032	0.6
283.05966	7.9
283.09045	0.5
284.06424	0.3
291.10199	0.4
294.05035	0.3
295.02890	0.3
295.05975	3.1
295.09589	0.8
307.06009	0.8
308.06693	1.7
309.07513	1.1
309.10977	0.4
310.04694	0.2
319.09610	2.8
321.07639	0.7
322.08328	2.5
325.07071	0.7
333.19501	0.4
337.10657	100.0
338.11005	2.3
339.08847	0.3
351.20078	0.7
356.20654	0.3
379.11679	0.8
395.11221	0.8
499.15884	0.9
516.67719	0.2
581.20020	0.3
591.54584	0.2
607.18103	1.2
625.19641	0.3
643.22260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63876	0.2
51.96451	0.2
53.03952	0.9
55.01869	0.9
55.05518	0.5
55.32181	0.2
57.03435	1.1
58.56200	0.2
60.15168	0.2
61.02939	0.7
67.05489	1.0
69.03420	6.9
69.07075	0.6
69.12364	0.2
69.50256	0.7
69.50687	1.1
71.00962	0.3
71.01347	5.1
71.01717	0.3
71.05008	0.7
73.02909	1.3
74.49804	0.2
79.05510	0.4
81.03410	5.4
81.07052	1.2
83.01382	0.2
83.04993	0.6
85.02896	9.2
87.04483	0.3
89.02380	1.2
91.02227	0.2
91.05476	0.7
91.77808	0.2
93.07062	0.7
95.04992	0.5
95.08604	1.0
97.02888	2.6
97.10178	0.2
98.21528	0.4
99.04442	1.8
101.02389	0.2
103.03939	0.4
105.03421	0.3
105.07032	0.7
107.08624	0.6
109.02874	3.5
109.03551	0.2
109.06479	0.3
109.10172	0.5
111.04432	0.2
115.03933	0.4
115.30250	0.2
116.47406	0.2
119.04929	0.4
119.08605	0.5
121.06550	0.2
121.10139	0.4
123.04427	0.9
123.11723	0.5
125.05952	0.3
127.03903	6.0
131.03391	0.5
131.04849	0.2
131.08571	0.4
134.03624	0.2
135.04430	0.3
135.08043	0.3
135.11682	0.3
137.06001	0.7
139.07509	0.3
143.03433	0.7
143.08574	0.2
145.04956	1.9
145.10178	0.3
147.04433	0.8
147.11665	0.4
149.05969	0.5
149.13261	0.3
151.03961	0.6
151.07460	0.5
159.03021	0.2
163.07475	0.3
165.05519	0.2
165.09085	0.9
166.06293	0.4
167.07037	4.8
167.08401	0.4
168.07484	0.2
171.06622	0.2
175.04021	0.2
175.14827	0.2
177.05460	0.2
184.50572	0.2
187.07632	0.2
189.05536	0.2
189.09059	0.3
191.07108	0.2
191.10785	0.2
195.08017	0.2
198.06731	0.2
201.05362	0.4
201.09074	0.2
203.06996	0.3
213.05493	0.4
215.05484	0.9
217.08667	0.4
226.06310	0.3
227.07077	0.7
229.04999	0.4
231.06573	0.3
233.04427	0.2
243.06490	0.2
245.08075	0.3
247.05988	0.5
267.06473	0.5
279.09943	0.3
287.10785	0.2
289.08655	0.3
292.07147	0.2
293.08279	0.3
293.11890	0.3
295.06171	0.3
297.07596	0.3
298.04602	0.2
303.10245	0.5
304.11005	0.4
305.08167	0.2
305.11514	0.3
307.06171	0.5
307.09747	0.7
308.06812	0.5
309.07669	0.6
310.04834	0.2
313.07022	0.3
318.08713	0.3
321.07584	0.6
321.11230	0.8
323.05606	0.5
323.09036	0.7
324.06216	4.6
325.07056	0.8
329.11606	0.3
331.09750	0.3
332.10452	0.5
333.11276	0.3
335.05502	0.3
335.09058	1.8
336.06262	1.1
336.09827	0.4
337.07025	0.8
337.10611	0.3
338.07761	0.3
339.08609	7.5
343.09476	0.3
345.11105	0.4
346.08197	0.3
347.09262	0.3
349.07010	0.8
349.10718	0.6
350.07803	0.9
350.11591	0.3
351.08667	2.2
351.12378	0.3
353.10245	0.5
359.09116	0.8
360.09869	2.7
361.10678	0.7
363.08633	4.1
363.12320	0.7
364.09338	0.9
365.09985	1.1
369.09689	0.4
373.10394	0.3
375.12274	4.3
377.10123	1.6
378.10959	8.0
379.11588	0.8
381.09430	0.2
381.13443	2.4
391.11807	0.5
393.13287	32.9
394.13696	1.3
395.10727	0.9
396.11987	0.8
409.12781	0.3
411.14334	100.0
412.14737	3.2
417.12949	0.3
435.14163	0.8
445.33020	0.5
453.15405	0.7
463.17050	0.2
463.34332	1.0
481.35724	0.2
537.18390	0.2
573.19843	1.0
625.22418	0.3
643.19641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01865	0.6
55.05492	0.7
57.03413	0.6
59.04993	0.3
61.02912	0.5
67.05488	0.7
68.78830	0.2
69.03429	4.1
69.07066	0.3
69.55684	1.5
70.25939	0.2
71.01331	0.2
71.04990	1.0
73.02914	1.1
79.05490	0.4
81.03416	4.9
81.07037	0.7
83.05001	1.1
85.02897	10.3
87.04434	0.2
91.03949	0.2
91.05481	1.0
91.50847	0.2
93.07045	0.4
95.08575	0.6
97.02272	0.4
97.02885	6.7
99.04447	8.5
99.05099	0.4
103.03933	7.3
105.07013	0.4
107.04941	0.4
107.08586	0.3
109.02872	6.2
109.06538	0.3
109.10141	0.3
115.03922	0.5
119.04935	0.4
119.08533	0.3
121.02876	0.4
121.06466	0.3
121.10162	0.2
123.04415	0.9
123.11662	0.2
127.03909	15.6
135.04405	0.3
137.05948	0.3
145.04948	4.7
145.10123	0.2
147.04411	0.3
151.07506	0.3
153.01868	0.3
157.06340	0.2
163.06006	1.3
163.07349	0.3
165.09145	1.5
167.07059	1.0
169.04993	0.3
175.07494	0.3
181.04958	0.3
183.02896	0.3
187.05989	1.0
189.09119	0.2
191.07115	0.4
197.05968	0.4
205.05055	0.2
205.12383	0.2
207.06442	0.2
219.06490	0.3
227.09056	0.3
229.04800	0.2
239.06894	0.5
245.09732	0.5
248.08221	0.2
255.06444	0.3
267.06534	2.2
271.08322	0.9
276.07813	0.2
279.06503	0.4
281.08182	0.5
281.11664	0.3
283.02878	0.5
283.05994	9.6
284.06271	0.3
291.09967	0.4
295.06055	3.9
295.09583	0.6
296.06406	0.2
297.07700	0.2
307.05975	1.6
308.06750	2.0
309.07709	1.2
309.10956	0.4
315.67252	0.2
319.09644	2.9
321.07742	1.1
322.04755	0.4
322.08289	2.9
324.06277	0.2
325.07007	0.5
337.10672	100.0
338.11093	1.4
339.08569	0.5
379.11859	0.8
392.12881	0.2
393.13309	0.3
411.14221	0.8
445.12665	0.3
499.15857	0.6
607.18170	0.5
625.20367	0.3
643.23492	0.4
650.44897	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	643.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.9
55.01863	1.0
55.05527	0.4
57.03433	1.4
61.02950	0.5
65.54105	0.2
67.05207	0.2
67.05503	1.0
67.19954	0.2
69.03421	7.3
69.07087	0.6
71.01352	4.3
71.01708	0.2
71.04055	0.5
71.05020	0.9
72.00238	0.2
73.02907	1.4
79.05498	0.5
81.03409	4.6
81.07089	0.9
83.01373	0.3
83.04990	0.3
83.08659	0.3
85.02896	9.0
85.06548	0.6
87.04530	0.2
89.02382	1.3
91.05514	0.8
93.07076	0.9
95.05025	0.5
95.08637	0.8
97.02884	2.9
99.04438	1.8
102.13989	0.2
103.03963	0.6
104.85956	0.2
105.07059	0.6
107.04978	0.3
107.08592	0.4
109.02877	3.4
111.04458	0.4
115.03982	0.4
116.35916	0.2
119.08621	0.3
121.06527	0.3
121.10137	0.3
123.04465	0.8
127.03905	5.7
127.04759	0.4
129.05502	0.3
129.07083	0.2
131.03397	0.5
131.08649	0.3
133.10162	0.4
134.03690	0.3
135.04448	0.4
137.06053	0.8
141.01875	0.3
143.03439	0.6
145.04927	2.3
147.04448	0.4
149.05963	0.3
151.03989	0.5
151.07561	0.4
153.01843	0.3
153.05508	0.3
159.02937	0.3
161.05995	0.3
163.03922	0.2
165.05499	0.4
166.06360	0.2
166.07777	0.2
167.07042	1.5
169.06554	0.2
170.07297	0.2
171.06659	0.3
175.07602	0.4
177.05511	0.2
179.03505	0.2
191.03619	0.3
191.10770	0.2
198.06798	0.3
199.03996	0.3
199.07634	0.4
201.05595	0.3
203.03465	0.2
205.08659	0.2
209.06032	0.3
213.05505	0.5
215.05441	1.1
215.10677	0.2
223.07620	0.4
227.07062	0.6
229.05037	0.5
233.04590	0.3
247.05972	0.7
253.05136	0.2
261.09122	0.4
267.06467	0.4
287.10629	0.4
289.08548	0.3
291.06567	0.3
297.07626	0.3
303.10110	0.4
305.08447	0.3
307.09659	0.4
308.06992	0.4
311.05612	0.3
313.07257	0.4
317.08029	0.3
319.09604	0.3
321.07672	0.5
321.10992	0.3
323.05609	0.5
323.09241	0.7
324.06256	4.1
324.09979	0.3
325.06989	1.3
327.08701	0.2
332.10312	0.5
333.11316	0.3
335.05542	0.4
335.09140	1.5
336.06299	1.3
336.09808	0.3
337.06912	0.6
337.10620	0.7
339.08582	7.2
343.09448	0.6
345.07486	0.4
347.09143	0.5
349.07004	0.7
349.10696	0.4
350.07800	0.7
351.08563	2.3
351.12106	0.4
353.10300	0.7
357.09879	0.3
359.09030	0.7
360.09836	2.6
361.10571	0.4
363.08536	3.4
363.12479	0.4
364.09207	1.0
365.10135	1.6
375.12228	5.2
377.10229	1.0
378.10950	7.9
379.11481	0.5
381.13431	0.6
385.12653	0.3
393.13284	31.0
394.13687	0.7
395.11285	0.3
396.11871	0.7
409.12604	0.4
411.14334	100.0
412.14706	1.6
417.13528	0.3
435.14340	0.8
445.33127	0.6
453.15372	0.7
463.34012	0.3
481.18158	1.0
481.35474	0.3
573.19763	1.1
625.21375	0.3
643.22058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64405	0.2
53.03914	0.5
55.01827	0.6
55.05470	0.8
57.03401	0.6
57.07059	0.4
60.01633	0.2
61.02904	0.3
66.79724	0.2
67.05505	1.8
69.03424	2.3
69.07021	0.8
69.58222	1.0
69.58633	0.5
70.04044	0.2
70.06583	2.5
71.04948	0.7
71.06895	0.3
72.08126	0.5
73.02856	0.4
79.05486	1.0
81.03410	1.5
81.07045	2.7
83.04941	0.8
84.08096	0.6
85.02895	2.4
85.06530	2.2
87.04428	0.2
91.05475	1.7
93.07027	2.2
95.05458	0.2
95.08591	2.2
97.02886	2.0
97.06460	0.6
98.05987	0.3
98.09646	0.6
99.04382	0.8
99.08045	0.5
103.05403	0.3
104.90635	0.2
105.03368	0.4
105.07015	1.7
107.04898	0.8
107.08562	2.0
109.02843	1.3
109.06451	0.7
109.10155	2.1
111.04366	0.2
111.08034	0.6
112.07593	1.7
113.07856	0.4
113.09581	0.3
115.05421	0.2
117.06979	0.5
119.04889	0.6
119.08581	1.2
120.05657	0.2
121.02827	0.5
121.06420	0.7
121.10094	1.1
123.04482	1.0
123.05173	0.2
123.08074	1.0
123.11658	0.6
124.03861	0.3
125.05918	0.5
125.09589	0.4
127.03898	1.9
127.07465	0.2
127.11155	0.2
129.06963	0.4
129.87820	0.2
131.04865	0.4
131.08542	0.6
133.06447	0.4
133.10107	1.6
135.04362	0.3
135.07974	0.6
135.11632	0.9
136.07547	0.2
137.02299	0.4
137.05981	1.2
137.09546	0.6
138.05443	0.3
139.07497	0.5
139.11119	0.2
140.07030	1.2
143.07172	0.2
143.08440	0.4
145.02805	0.3
145.04865	0.2
145.06416	0.7
145.10109	1.0
147.04379	2.0
147.07973	0.4
147.11594	0.5
148.04956	0.3
149.05908	0.6
149.09555	0.5
149.13196	0.8
151.03874	0.5
151.07529	5.9
151.11118	0.3
153.01805	0.3
153.05426	0.6
153.09019	0.4
155.08403	0.3
157.09975	0.3
159.04440	0.3
159.08000	0.3
159.11624	0.3
160.05215	0.2
161.05931	0.5
161.09525	0.3
161.13181	0.3
163.03825	0.4
163.07516	0.5
163.11127	0.5
165.05453	0.3
165.09064	0.8
167.07019	5.6
168.07317	0.6
169.10081	0.2
172.05142	0.3
173.05894	0.6
173.09615	0.3
173.13152	0.2
175.03893	0.4
175.07437	0.6
175.11116	0.3
175.14754	0.6
177.05450	0.8
177.09006	0.7
177.12729	0.3
179.06961	0.3
181.04915	1.5
181.08482	0.4
181.12175	0.5
187.07382	0.3
187.11096	0.3
187.14723	0.3
189.05458	0.4
189.09207	0.2
191.06981	0.7
191.10628	1.7
191.14217	0.4
193.08546	0.3
193.12238	0.2
195.06352	0.3
197.09494	0.3
200.04605	0.2
201.05406	0.5
203.10681	0.3
205.08577	0.4
205.12143	0.8
207.06503	0.6
207.10182	0.3
207.13696	0.3
209.11737	0.6
211.11133	0.2
213.05377	0.7
215.03304	0.8
217.08592	0.3
217.12164	0.3
219.13870	0.2
228.04041	0.5
229.04947	1.6
231.06450	1.8
235.07526	0.2
246.05186	0.4
247.05919	0.6
249.07509	0.9
251.06906	0.3
253.08438	0.3
255.06461	0.5
259.16959	0.2
261.08984	0.5
265.08548	0.8
271.05801	0.5
277.08545	1.2
278.09116	0.5
279.06598	1.0
279.09558	0.2
281.08151	0.9
283.05927	0.2
288.07697	0.3
289.08521	0.8
291.06439	1.0
293.08026	1.9
295.06012	0.4
295.09613	0.5
303.06485	0.3
303.19391	0.2
305.08008	2.7
306.08740	1.3
307.06088	0.4
307.09335	0.3
309.07550	0.3
317.07932	0.5
319.05899	0.7
321.07532	2.6
323.05450	0.9
323.09137	0.8
325.07028	0.3
333.07642	2.1
334.08258	1.3
335.09134	0.6
336.09778	0.4
337.06891	0.4
337.10516	0.3
339.08289	0.3
345.07520	0.4
347.09134	0.4
349.07031	8.3
349.10699	0.6
350.07428	0.4
350.28809	0.2
351.08670	0.8
352.09384	3.4
353.09842	0.4
361.06967	0.8
362.07813	13.8
363.08505	1.9
364.09314	3.5
365.10117	0.7
367.11533	0.4
375.08585	0.5
377.10175	7.5
379.07880	0.5
380.08862	56.4
381.09253	2.6
385.12628	0.3
393.09479	1.2
394.10297	0.4
395.11212	100.0
396.11612	4.0
409.27145	0.4
417.15436	0.8
427.27850	0.5
427.32745	0.4
429.42450	0.2
437.12305	0.6
441.47559	0.2
445.29086	0.8
445.33359	0.7
463.30264	0.3
481.14920	0.9
481.31308	0.5
557.16498	1.8
599.17542	45.5
600.17926	2.2
625.15320	1.0
643.16443	41.2
644.16913	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	642.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16997	0.4
53.03939	0.9
55.01855	1.0
55.05507	4.9
57.03423	1.7
57.07075	0.6
61.02924	1.9
65.03913	0.6
66.11099	0.4
67.05499	13.7
69.03419	1.0
69.07065	4.9
71.04982	1.1
71.08670	0.4
71.64324	0.8
73.02907	0.9
79.05483	11.7
81.03407	0.8
81.06569	0.8
81.07049	13.2
83.04963	1.4
83.08610	2.4
85.02908	2.3
85.06542	0.8
91.03932	0.5
91.05473	12.9
93.06462	0.8
93.07035	12.6
95.04971	2.5
95.08041	0.8
95.08600	9.6
97.02880	1.3
97.06504	2.0
97.10147	1.4
99.08072	0.5
105.07021	15.3
107.04958	1.2
107.08574	6.6
109.06512	1.3
109.10132	4.3
111.08060	0.7
115.05422	1.0
117.06209	0.7
117.07002	7.0
118.07394	0.4
119.08575	11.3
120.08917	0.4
121.06494	1.7
121.10130	4.5
123.04425	0.6
123.08048	0.7
123.11686	0.8
125.09593	0.5
127.03874	0.6
128.06219	1.0
129.06984	5.5
131.07571	0.8
131.08549	13.2
133.06480	1.1
133.10110	6.5
135.08017	0.9
135.11630	2.3
137.09612	1.0
141.06978	1.9
142.07770	0.6
143.08543	5.6
145.06512	1.3
145.10098	7.8
146.10501	0.6
147.08012	1.5
147.11659	2.6
149.09592	1.5
149.13361	0.5
153.06967	0.4
155.08516	3.1
156.09401	0.6
157.06479	0.4
157.10109	4.7
159.08067	0.7
159.11681	3.7
161.09628	1.1
161.13292	0.9
163.11163	0.6
167.08551	1.1
169.10097	2.5
171.11670	3.1
173.09663	0.6
173.13197	2.2
175.11162	0.7
181.10107	1.8
183.11678	1.8
185.13286	2.0
187.11105	0.7
187.14828	1.3
195.11642	1.0
197.13170	2.0
199.11192	0.7
199.14806	1.5
201.12704	0.5
201.16524	0.5
209.13303	0.9
211.14836	1.3
213.12833	0.7
213.16245	0.7
215.14400	0.6
217.15973	0.4
221.13185	0.5
223.14810	0.7
225.16280	0.6
227.14342	0.8
229.14087	0.5
233.15370	0.7
243.17558	0.6
247.16916	0.9
255.17389	0.6
259.16916	0.9
273.18570	0.6
275.19992	0.8
325.25320	1.1
335.23572	0.9
343.26297	1.2
353.24707	4.7
371.25760	5.4
389.26849	5.6
406.15671	0.4
427.28290	0.9
443.18985	0.4
445.29456	100.0
446.29849	3.3
463.30511	30.4
464.30774	1.4
532.26807	0.4
544.37061	0.7
624.42908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01858	1.1
55.05504	5.4
57.03424	1.9
57.07053	0.6
59.04980	0.4
61.02913	2.2
62.28497	0.4
65.03929	0.9
67.05499	14.6
68.05813	0.7
69.03406	1.1
69.07063	5.4
71.04984	1.2
71.62094	0.7
73.02901	0.6
79.05049	0.8
79.05485	11.1
81.03400	0.6
81.07047	13.4
83.04975	1.2
83.08616	3.4
85.02901	2.4
85.06529	1.1
91.03953	1.0
91.05471	14.8
93.07037	13.0
94.07403	0.5
94.64147	0.4
95.04977	2.6
95.08596	9.1
96.25948	0.4
97.02866	0.9
97.06517	1.9
97.10162	1.4
99.04457	0.4
99.08059	0.5
103.05489	0.5
105.07018	15.6
106.07341	0.6
107.04951	1.5
107.08595	6.3
109.02843	0.4
109.06519	1.9
109.10134	3.9
109.18056	0.4
110.90194	0.4
111.08064	1.2
115.05437	0.7
115.69295	0.4
117.07010	7.7
119.08568	9.9
121.06486	1.5
121.10132	4.8
123.04492	0.5
123.08131	0.8
125.09606	0.7
128.06183	1.2
129.06990	6.3
131.08556	13.0
133.06482	1.2
133.10130	6.0
134.10526	0.4
135.08017	1.6
135.11670	2.1
137.05943	0.5
137.09592	1.1
141.06984	1.7
142.07837	0.4
143.08553	5.5
145.04993	0.5
145.06454	1.1
145.10115	7.9
146.10466	0.5
147.08038	1.7
147.11652	2.2
149.09634	1.7
149.13289	0.8
151.11200	0.6
154.07657	0.4
155.08530	3.2
157.10106	4.5
159.11670	4.5
161.09608	0.9
161.13275	1.0
163.11163	0.7
167.08598	1.1
169.10107	3.1
169.72252	0.4
171.08089	0.6
171.11664	2.7
173.11911	0.5
173.13297	1.6
175.11150	0.7
177.12721	0.5
181.10129	1.6
183.11653	2.4
185.13237	2.3
187.11148	0.5
187.14838	1.4
195.11690	1.7
197.11522	0.6
197.13165	2.5
199.14815	1.6
201.16460	0.5
209.13303	1.5
211.14828	0.9
213.12747	0.6
213.16289	0.4
215.14397	0.6
219.13763	0.5
221.13336	0.4
222.65263	0.5
223.14719	0.6
225.16420	0.7
229.15999	0.4
233.15308	0.7
237.16109	0.5
239.17789	0.5
243.17577	0.6
247.16905	0.9
251.06337	0.5
255.17409	0.5
257.19354	0.5
259.16879	0.7
261.18628	1.0
273.18567	0.6
275.20102	0.8
276.20297	0.7
325.25186	0.9
343.26086	2.0
353.24640	4.2
364.76575	0.4
371.25824	4.9
389.26877	4.8
427.28632	0.9
445.29453	100.0
446.29660	3.6
463.30518	22.8
464.30688	1.2
624.43005	0.8
642.28955	1.3
642.44714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.2
55.05506	31.0
57.03434	35.8
65.03944	3.4
67.05500	58.9
69.03432	3.4
69.07066	28.0
70.06583	3.1
70.67333	5.6
70.67698	6.4
71.04990	6.5
72.08147	7.0
79.05478	44.9
80.18657	2.9
81.07053	60.3
83.04981	6.9
83.08627	12.8
85.06553	11.5
91.05481	40.4
91.06009	4.9
93.07031	41.0
95.04974	11.5
95.08601	40.6
97.06528	6.7
97.10201	9.2
99.08099	27.8
101.76608	2.9
104.10756	3.5
105.07021	43.1
107.04961	4.8
107.08599	21.5
109.06522	23.9
109.10145	20.0
111.08073	7.9
113.09637	4.4
114.10292	6.2
117.06990	22.1
119.08577	35.4
121.06528	4.5
121.10159	17.3
123.08065	9.0
125.09624	7.9
126.08434	3.3
127.07550	4.1
127.73920	2.9
128.06229	7.9
129.07013	19.8
131.08554	28.2
133.02896	3.2
133.10120	17.4
134.05974	2.8
135.08064	8.5
135.11729	9.2
137.09630	3.2
141.07048	13.4
142.07774	5.4
143.08568	28.3
145.06473	4.7
145.10114	32.6
147.08057	3.6
147.11742	12.0
149.09618	5.5
149.13289	4.0
154.07813	4.0
155.08540	22.9
157.10138	29.8
159.08099	5.4
159.11703	17.0
161.13324	7.0
163.03894	5.5
163.11220	6.3
166.07837	4.5
167.08624	9.1
169.10123	24.2
171.11685	19.0
173.09631	3.9
173.13312	9.5
175.11212	4.0
175.14964	3.3
178.05011	3.3
179.08571	7.8
179.14412	6.7
180.09479	3.2
181.10094	14.7
183.11678	24.8
184.07440	4.0
185.13235	17.0
187.14894	5.5
193.10182	9.3
195.11694	19.4
195.13470	2.5
197.13208	13.7
199.14861	6.9
201.16455	3.2
204.10248	8.8
207.11794	10.3
209.13284	14.8
211.14903	7.9
219.11736	5.0
221.13283	9.1
223.14882	10.2
225.16425	5.8
232.09755	6.7
233.13312	5.5
235.14867	7.3
237.16527	5.4
238.59560	3.0
239.18080	6.1
247.14867	4.0
249.16458	4.0
257.19119	10.1
263.15152	8.2
265.19467	3.5
273.18686	6.7
275.20023	17.1
291.14508	28.1
291.19656	4.1
293.16168	7.0
297.22324	4.2
321.22137	3.4
335.23801	3.4
349.23999	11.0
361.25098	4.0
367.26337	3.1
387.25970	3.2
389.28177	3.1
419.29153	4.3
445.29562	22.0
459.32681	6.9
463.30539	8.6
473.34055	4.1
475.35455	4.0
477.33923	9.2
495.34445	3.6
497.32904	5.6
513.37213	7.2
527.38031	3.2
531.38538	12.5
533.36694	3.3
537.35999	4.9
549.39545	15.9
551.37311	22.3
553.38922	4.7
565.38605	4.7
567.40698	6.5
569.38403	40.5
605.42499	16.9
623.43042	73.5
624.43182	4.6
641.28882	11.9
641.44104	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	641.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
55.01867	14.6
55.05511	42.6
57.03435	40.7
57.07059	3.6
65.03939	6.6
67.05501	94.0
69.03415	9.4
69.07072	38.3
71.04981	14.1
71.62763	4.6
73.06566	2.6
74.39137	3.0
79.05050	5.3
79.05487	82.2
81.03397	5.0
81.06570	5.6
81.07049	100.0
83.04980	14.0
83.08616	21.0
85.06538	12.6
89.82664	2.6
91.05474	74.5
91.87219	2.4
93.07040	83.5
95.04958	26.7
95.08598	72.3
97.06513	20.0
97.10155	15.7
99.08096	19.2
99.49291	2.4
103.05431	4.2
103.88288	2.7
105.07018	79.5
107.04940	13.8
107.08582	52.7
109.06509	33.4
109.10140	27.7
111.08076	10.1
113.06020	14.2
113.09648	4.2
115.05433	7.3
117.07011	41.0
119.04946	2.8
119.08575	55.2
121.06520	3.8
121.10133	29.1
123.08042	11.9
123.11715	6.8
125.09616	12.7
128.06178	5.2
129.06998	31.9
131.08556	50.9
133.06511	5.6
133.10114	40.0
135.08041	14.4
135.11748	13.8
137.09573	6.9
137.35486	3.0
141.06960	17.0
142.07790	5.0
143.08559	39.4
144.09331	4.0
145.06470	4.7
145.10110	48.1
147.08031	7.1
147.11658	21.0
149.09608	12.4
149.13205	6.2
151.11208	5.4
153.06934	4.1
154.07753	3.3
155.08539	27.9
156.09386	3.3
157.10110	32.7
159.08049	7.1
159.11665	25.3
161.09624	6.3
161.13171	13.0
163.11169	6.6
163.14786	4.2
165.12810	4.2
166.07820	3.8
167.08549	12.6
168.09308	4.5
169.10136	33.4
171.11652	26.5
173.09566	6.4
173.13210	15.3
175.11188	6.4
177.12770	5.0
179.08566	7.2
180.09334	4.1
181.10129	16.2
182.10843	3.7
182.61627	2.7
183.11691	20.8
185.13254	19.6
187.11105	4.1
187.14784	6.9
189.12709	4.5
191.14319	3.0
193.10138	9.8
194.10925	3.1
195.11661	17.5
196.12285	3.5
197.13234	20.0
199.11259	4.2
199.14835	11.2
201.12675	4.5
201.16367	3.8
203.14334	8.2
205.10158	4.5
205.15897	4.1
207.11697	9.7
209.13287	16.6
211.14781	11.6
213.16365	3.2
215.14198	3.9
217.15799	3.7
219.17455	10.0
220.12534	3.2
221.13208	8.3
221.15257	3.4
223.14828	8.5
227.12668	3.7
235.14742	8.1
237.16393	7.3
239.17935	6.6
245.13449	4.2
255.17384	3.8
257.18982	10.7
259.20660	6.8
271.16971	3.9
273.18542	15.1
275.17740	3.3
275.20123	30.6
291.19531	6.7
295.20486	3.3
297.22171	2.9
327.23056	3.8
331.22672	5.9
333.24268	3.2
347.22379	5.6
349.23596	22.1
363.21658	3.5
389.28021	3.5
405.22314	3.6
405.27591	4.3
441.30539	3.3
445.30118	3.6
457.29935	3.0
459.32397	8.5
471.15784	2.8
475.35889	3.2
477.33844	6.4
497.32916	5.4
513.36768	9.1
527.21643	3.1
527.37427	4.6
531.38422	13.1
533.55408	2.8
537.35443	3.9
539.36957	6.3
541.37885	3.3
549.39099	10.3
551.37231	12.4
553.38800	5.9
555.36853	7.5
565.38690	4.0
567.39948	6.9
569.38446	23.3
583.40210	3.0
605.42023	17.6
623.33203	5.6
623.42987	82.9
624.43073	8.6
641.44043	81.3
642.44165	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	641.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79792	0.2
53.03872	0.3
55.01796	0.5
55.02031	0.3
55.05408	3.9
55.05708	1.1
55.27670	0.2
57.03346	0.5
57.03586	0.2
57.06967	1.1
61.02850	0.3
65.03850	0.3
67.01774	0.3
67.05393	4.7
67.05792	0.9
69.03313	2.6
69.03723	0.4
69.06953	7.3
69.07372	1.4
69.37570	0.4
69.37978	2.3
70.06499	0.3
71.01255	0.3
71.04876	0.7
71.08550	0.5
71.08882	0.2
72.45464	0.2
73.02847	0.3
79.05371	1.5
81.03288	1.3
81.06930	9.9
81.07458	1.3
81.35066	0.2
83.01207	0.9
83.04856	0.9
83.08489	3.2
85.02775	5.3
85.06412	1.5
85.10093	0.3
87.04338	1.5
91.05348	1.6
93.06917	2.9
93.07548	0.5
94.07248	0.3
95.01231	0.4
95.04826	0.8
95.08469	9.5
95.09137	0.9
97.02757	3.0
97.06429	0.6
97.10031	2.0
99.00685	3.1
99.04319	2.3
99.07972	0.5
103.05386	0.3
105.06882	1.6
107.04853	0.5
107.08446	1.8
109.02863	1.4
109.06375	0.9
109.10011	4.7
111.04427	1.5
111.07979	0.4
111.11628	0.5
113.02208	0.9
113.05907	0.3
117.01706	0.9
117.06910	0.6
119.04817	0.6
119.08555	1.4
121.06364	0.8
121.10135	1.5
123.04263	0.8
123.07934	0.6
123.11696	2.4
125.05845	0.9
125.09540	0.4
125.13080	0.3
127.03914	2.1
128.06104	0.4
129.06882	0.5
131.04749	0.3
131.08426	1.0
133.06348	0.8
133.10133	1.2
135.04257	0.8
135.07878	1.0
135.11674	1.2
135.54070	0.2
137.02084	0.3
137.05980	2.9
137.09485	0.5
137.13097	1.1
139.07532	1.1
143.08395	0.8
145.04884	0.5
145.06313	0.5
145.09953	1.3
147.04431	2.0
147.07915	0.5
147.11536	0.8
149.02200	0.6
149.06003	1.8
149.09460	0.8
149.13168	0.6
151.03781	0.3
151.07539	1.5
153.05470	2.3
155.06854	1.0
157.06317	0.6
157.10022	0.6
159.07899	0.4
159.11560	0.7
161.05925	1.2
161.09473	1.0
161.13159	0.5
163.03914	1.9
163.07559	1.5
163.11067	0.5
163.14694	0.4
165.05310	1.0
165.09091	1.4
167.07031	10.8
168.07364	0.6
169.04874	0.3
169.09932	0.3
171.07904	1.1
171.11519	0.3
173.05788	0.2
173.09451	0.5
173.13168	0.4
175.07541	3.0
175.10989	0.7
175.14670	0.4
177.05464	3.9
177.09091	1.1
179.06912	0.3
179.10498	0.6
179.19911	0.2
181.04956	7.2
183.06531	5.1
185.09612	0.3
187.07399	0.7
187.11049	0.6
189.09102	8.9
191.07024	1.4
191.10664	1.2
193.08463	0.4
193.12054	0.3
195.06526	19.4
199.05829	0.3
199.07507	0.3
201.08920	0.4
203.06900	0.3
203.10651	1.7
205.08444	1.0
205.12083	0.8
207.06528	2.3
207.10007	0.8
209.08076	10.2
211.11017	0.3
213.12573	0.3
215.10501	0.5
217.08485	0.4
217.12032	0.5
219.10039	0.5
219.13702	0.3
221.08049	1.3
223.09648	12.4
225.16373	0.3
227.14267	0.2
229.12178	0.4
231.10042	0.5
231.13690	0.3
233.11638	0.4
235.09666	2.5
237.11212	11.1
237.22221	0.3
245.15302	0.3
247.09604	0.3
249.11220	10.3
251.12785	3.2
261.10950	0.4
263.12790	3.7
265.14404	1.6
275.12704	0.4
277.14420	1.2
279.15732	1.0
291.15802	1.1
293.17319	0.7
305.17505	1.1
307.18939	1.1
317.17459	0.7
319.19156	1.2
321.20544	0.3
324.06024	0.5
331.18875	0.3
333.20575	0.8
335.09085	1.6
336.09317	0.3
337.06778	0.5
339.08704	0.6
347.21997	0.6
361.10529	0.5
361.23685	0.4
363.08612	0.5
365.10104	0.5
378.10776	0.5
379.11884	1.5
383.29398	0.3
393.13348	3.4
394.13788	0.4
397.31070	0.4
399.32526	0.6
411.14398	2.7
412.14426	0.3
415.31985	0.4
425.30737	1.2
431.31558	0.6
443.26199	0.4
443.31638	5.7
444.31882	0.3
449.32870	0.4
461.32651	12.1
462.33069	0.8
477.32343	0.3
478.32037	0.3
479.33667	100.0
480.33960	4.7
604.46082	0.3
623.22406	0.3
641.21722	0.9
641.39044	15.3
642.39502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.389
Annotation	Cilistol j
Peak:m/z	Relative Intensity
53.03810	0.6
55.01764	0.4
55.02002	0.6
55.05355	2.6
55.05659	2.7
57.03288	0.7
57.03577	0.6
57.06931	0.7
57.07219	0.8
59.44507	0.3
61.02773	1.0
61.03107	0.8
62.16307	0.3
65.03835	0.4
65.04123	0.3
67.05326	4.2
67.05737	2.5
69.03249	3.7
69.03671	2.1
69.06886	6.4
69.07312	3.7
69.24740	0.3
69.31748	1.8
69.32181	1.3
70.06468	0.5
71.04867	0.5
71.08494	0.5
71.08838	0.3
73.02778	0.4
73.03124	0.3
73.67995	0.3
79.05299	2.0
79.05793	0.6
81.03217	2.1
81.03738	0.6
81.06858	11.0
81.07398	4.1
81.37646	0.3
83.01172	0.7
83.01606	0.3
83.04805	0.6
83.05239	0.4
83.08418	2.3
83.08964	0.8
84.08002	0.4
85.02698	7.4
85.03279	2.3
85.06336	2.4
85.06917	0.9
86.09538	0.4
87.04304	0.6
91.05267	1.8
93.06832	3.6
93.07465	0.8
95.01185	0.4
95.04744	1.3
95.08388	10.0
95.09073	2.7
97.02675	5.4
97.03378	1.2
97.06378	0.5
97.09958	1.6
99.00605	3.0
99.01308	0.5
99.04233	2.6
99.04930	0.6
99.07935	0.6
99.08505	0.4
105.06812	1.9
107.04726	0.9
107.08351	2.6
109.02648	1.6
109.06290	1.2
109.09931	6.0
109.10757	1.1
111.04296	0.3
111.07937	0.3
111.11506	1.1
113.02201	0.6
117.01620	1.0
117.06799	0.7
117.07533	0.4
118.53120	0.3
119.04717	0.9
119.08338	1.7
121.06262	1.1
121.09894	1.8
123.04205	0.7
123.07845	0.8
123.11455	2.1
125.05787	0.7
125.09425	0.7
127.03677	3.3
127.04675	0.7
127.10951	0.4
129.06700	0.3
131.08313	0.9
133.06241	0.9
133.07156	0.3
133.09889	1.4
135.04240	0.7
135.07802	1.2
135.08676	0.3
135.11430	1.5
137.05727	3.3
137.09447	0.5
137.13002	1.5
138.06572	0.4
139.05481	0.3
139.07288	1.9
141.05136	0.3
141.08887	0.3
142.07581	0.4
143.08302	0.9
145.04713	0.8
145.06165	0.2
145.09860	1.3
147.04149	2.6
147.07811	0.6
147.11418	0.9
149.02118	0.6
149.05722	1.9
149.09366	0.6
149.13039	0.8
151.03728	0.4
151.07288	4.4
153.05202	1.8
155.06825	0.8
155.08165	0.4
157.09883	0.8
159.07867	0.6
159.11427	1.1
161.05956	1.4
161.09343	0.9
161.13058	0.4
163.03630	1.4
163.07275	1.3
163.10986	0.5
163.14720	0.5
165.05296	0.4
165.08861	2.9
166.06044	1.0
167.06776	22.6
167.08340	1.5
168.07254	0.7
169.09891	0.3
171.07794	0.8
171.11485	0.4
173.05916	0.7
173.13165	0.5
175.07526	3.1
175.11046	0.7
175.14526	0.4
177.05461	4.8
177.08846	1.1
179.06844	0.4
179.10414	0.7
181.04941	8.6
181.08293	1.2
181.09816	0.3
183.06529	3.4
187.07364	0.6
189.09100	10.0
189.12491	0.4
190.06007	0.3
191.07037	1.4
191.10619	2.2
193.04817	0.3
193.08447	0.5
193.12050	0.4
195.06525	19.7
195.08179	1.1
199.05812	0.6
201.08855	0.4
203.10643	2.3
205.08347	1.2
205.12032	1.1
207.06519	1.6
207.09865	1.1
209.08083	9.7
209.09914	0.4
215.10426	0.4
217.08401	0.8
217.11983	0.5
219.06310	0.6
219.10097	0.5
221.07808	1.2
223.09639	12.2
231.09892	0.6
231.13622	0.3
235.09618	2.4
237.11194	17.6
249.11209	11.4
250.11392	0.5
251.12766	4.0
256.36835	0.3
261.11005	0.5
263.12741	4.2
265.14413	1.8
269.20889	0.5
271.05777	0.5
273.18286	0.3
275.12219	0.4
277.14294	1.6
279.15756	0.8
285.07300	0.8
291.16025	1.5
293.17438	1.4
295.26080	0.4
303.15811	0.5
305.17203	1.3
307.18988	2.1
307.26123	0.4
317.17346	0.5
319.19131	2.0
321.20386	0.5
323.05402	0.3
324.06137	0.7
331.18924	0.5
333.20450	0.8
335.21719	0.4
337.06873	0.5
339.08716	2.5
347.22272	0.4
357.09592	0.6
361.23569	0.8
363.08438	0.5
375.25113	0.6
377.26901	0.5
379.11719	0.9
379.24918	0.8
387.25302	0.5
393.13315	3.1
394.13434	0.5
425.30621	1.5
435.53357	0.4
443.26410	0.4
443.31689	7.2
444.32120	0.4
461.32605	100.0
462.32886	5.4
479.20776	0.9
479.33710	19.9
480.33917	1.6
623.22308	0.6
623.37872	8.5
624.37549	0.4
641.22528	0.7
641.39227	10.8
642.39594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2963
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01851	1.2
55.05495	2.6
57.03427	1.3
67.05502	5.7
69.07054	2.4
71.08621	0.9
74.43610	0.5
79.05475	4.8
81.03395	2.9
81.07050	5.4
82.03033	0.6
83.04970	1.0
83.08638	1.2
85.06475	0.7
91.05470	4.2
93.07022	4.3
95.04963	1.6
95.08606	3.4
97.06546	0.9
97.10149	0.9
99.08134	0.7
103.05447	0.5
105.07018	3.5
107.04921	0.9
107.08595	3.0
109.06501	0.8
109.10159	2.1
117.07008	1.2
119.08583	3.4
121.10162	1.8
125.09595	0.7
127.03956	0.6
131.08562	2.2
133.10162	2.2
135.08026	0.7
135.11690	1.0
143.08545	0.8
145.10126	2.0
147.08124	0.6
147.11713	1.3
149.09630	0.8
149.13255	1.0
149.91924	0.6
157.10179	1.4
161.13292	1.2
163.11154	0.8
171.11752	1.1
173.13287	0.8
179.14236	1.3
193.12250	0.7
275.20029	3.4
277.21631	1.4
335.25839	0.7
349.23709	1.1
379.19199	0.8
391.19354	1.3
392.20163	0.8
393.20844	1.5
405.16962	1.7
405.21451	1.1
407.22482	3.9
419.18411	1.2
420.19421	0.7
421.20282	4.5
423.21835	1.7
433.15378	0.6
433.20291	4.2
434.21362	3.2
435.21921	5.7
436.22778	1.6
438.19858	0.6
447.21927	1.8
449.19476	8.1
461.24298	0.7
463.21289	3.5
464.22125	1.9
465.19202	0.8
467.24698	1.1
475.21323	0.7
476.22083	0.7
481.22366	1.6
491.24023	0.6
493.22696	2.1
494.22818	3.1
495.23938	2.3
507.24414	1.4
521.25659	9.5
526.25537	0.7
535.23407	0.8
543.36700	6.3
553.25067	0.6
563.23254	2.4
581.27625	19.0
591.21790	0.8
609.26550	0.9
623.24640	3.2
623.42743	2.1
641.29651	100.0
642.30182	3.1
651.60126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
54.86703	0.3
55.01846	0.5
55.05461	1.0
57.03390	1.0
59.23708	0.3
61.02896	0.8
65.03897	0.4
67.05486	2.0
69.03430	3.9
69.07024	1.2
69.73954	2.0
70.06558	0.4
71.04934	0.4
73.02869	0.6
79.05437	1.2
81.03397	1.6
81.07066	2.3
82.21176	0.3
83.04958	0.9
83.08571	0.7
85.02899	7.8
85.06507	0.9
86.09668	0.4
90.33938	0.4
91.05431	1.4
91.62920	0.3
93.07029	2.1
95.08599	3.3
96.02794	0.3
97.02876	3.4
99.04453	0.9
99.08049	0.4
105.06984	1.6
107.04906	0.4
107.08540	1.4
109.02831	1.1
109.06479	0.9
109.10101	1.1
113.09643	0.3
117.03288	0.5
117.06982	0.5
119.08531	1.2
121.06452	0.6
121.10076	1.0
123.11673	0.6
127.03910	2.9
129.06949	0.4
131.08473	0.6
133.10098	0.9
134.03590	2.4
135.07997	0.5
135.11624	1.0
137.05969	2.0
139.07523	0.4
145.04938	1.1
145.06334	0.3
145.10094	0.5
147.04411	1.7
147.11589	0.4
149.05943	1.0
151.03900	0.6
151.07466	1.0
153.05577	0.4
163.07463	0.6
165.09039	1.0
167.05627	0.4
167.07025	6.8
168.07419	0.5
173.13339	0.5
185.05804	0.6
189.05429	1.5
189.09015	0.6
197.05968	0.4
199.14708	0.4
203.06998	0.7
205.08621	0.5
212.04677	0.4
213.05400	1.1
217.08461	0.5
233.09494	0.7
233.11725	0.6
244.08824	0.4
245.09511	1.9
247.07544	0.8
261.09088	0.8
262.09839	0.7
273.09088	1.4
275.07007	1.0
289.08542	1.0
290.06430	0.4
290.09219	1.7
293.08020	0.6
294.05182	0.6
301.08432	1.9
305.08112	0.4
305.11472	0.4
307.05939	3.3
307.09595	1.1
310.04623	2.7
317.08075	1.2
318.08844	4.1
319.09604	0.9
321.07590	0.6
322.04697	2.4
322.08301	1.1
324.06250	1.1
325.03409	0.7
325.07056	6.8
325.10889	0.5
328.07257	0.4
329.07999	2.7
333.11185	5.7
335.09000	0.9
336.10065	0.5
337.07007	4.7
337.10730	1.9
338.07263	0.5
339.08643	1.9
345.07559	1.7
346.08313	12.2
347.08890	1.0
349.07037	0.5
357.09686	0.5
361.10663	31.3
362.11084	1.3
363.08514	1.0
363.12415	0.7
364.09375	12.3
365.09827	0.6
367.07632	0.5
367.11768	6.6
379.11734	82.9
380.12070	3.7
393.13385	1.6
397.12839	1.2
411.14578	0.7
425.30487	0.4
443.31302	1.3
461.33289	1.6
479.20630	100.0
480.20981	6.6
541.17407	0.6
585.15845	0.6
623.21826	0.8
641.25812	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95671	0.2
53.03891	0.7
55.01815	0.7
55.05453	0.8
57.03376	1.1
61.02860	1.4
61.23795	0.2
67.05439	1.6
69.03423	5.5
69.03754	0.3
69.07061	1.1
69.29826	0.4
69.30231	1.7
70.06547	0.3
71.01299	0.3
71.04929	0.8
72.08085	0.3
73.02897	0.8
79.05498	1.1
81.03414	2.5
81.07053	2.4
83.04938	0.4
83.06223	0.2
83.08553	0.3
85.02897	10.5
85.06478	0.4
86.03231	0.2
87.00763	0.5
87.04463	0.9
91.03909	0.3
91.05479	2.6
93.07035	6.1
95.04884	0.7
95.08607	1.5
97.02886	4.0
97.06466	0.2
99.04446	1.1
101.02324	0.3
103.03887	0.2
105.01833	0.2
105.03332	0.2
105.07029	1.2
107.04911	0.5
107.08589	3.6
109.02871	2.3
109.06456	0.5
109.10143	2.2
111.04382	0.2
115.03854	0.2
117.03323	0.5
117.06981	0.3
119.04914	0.9
119.08511	0.8
121.02846	0.2
121.06445	0.4
121.10058	0.5
123.04340	0.5
123.11625	0.3
127.03912	3.6
131.08521	0.3
133.10095	0.5
134.03545	0.5
135.04361	0.3
135.08076	0.2
135.11676	3.4
137.05901	0.8
137.09555	0.2
139.07426	0.2
141.05392	0.4
143.08469	0.3
145.02827	0.2
145.04941	1.0
145.10013	0.5
147.04401	2.4
147.07973	0.3
147.11612	0.4
149.05884	0.6
149.09587	0.3
151.03841	0.8
151.07471	0.6
153.05452	0.2
159.02847	0.2
163.03795	0.5
163.14796	0.2
165.05437	1.7
165.09041	0.6
167.07034	4.4
167.08376	0.2
171.11641	0.2
173.09586	0.3
175.03923	0.4
175.07472	0.6
177.05466	0.4
181.04893	0.3
183.06476	0.2
185.05968	0.3
187.03914	0.2
189.01808	0.2
189.09012	0.3
191.03331	1.2
193.12149	0.2
195.08031	0.2
199.07385	0.2
201.05507	0.2
201.12808	0.2
205.12250	0.2
207.02789	0.4
209.04399	1.8
211.07538	0.2
217.08467	0.4
223.07568	0.2
225.05452	0.2
227.07054	0.2
239.06938	0.8
240.07793	0.5
241.04994	0.2
241.08493	0.3
241.68373	0.2
243.06548	0.2
250.06226	0.3
251.07005	0.7
253.04857	0.3
253.08606	0.3
267.06506	1.9
267.10223	0.3
268.07150	0.9
278.05649	0.3
279.06424	0.8
279.10049	0.4
281.04623	0.3
283.06122	0.2
283.09616	0.6
285.07486	0.3
293.08072	0.3
295.06009	1.3
295.09167	0.3
296.06741	2.8
297.07440	0.4
305.04462	0.2
305.07928	0.2
306.05273	0.7
307.06024	0.3
307.13327	0.2
309.07541	0.5
310.04626	0.4
311.05753	0.2
311.09094	2.0
313.06992	0.2
321.07523	1.1
322.04688	0.4
323.05600	2.1
323.09094	0.4
324.06250	33.0
325.06799	1.6
327.08609	0.6
335.05600	0.3
335.09143	1.0
337.07013	1.5
338.07605	0.4
339.08597	100.0
340.08942	4.0
345.09796	0.4
346.08368	0.5
349.07141	0.2
351.08597	0.6
351.12344	0.3
353.10092	0.9
357.09656	31.0
358.09970	1.1
361.10715	0.8
363.08295	1.7
363.19540	1.3
364.09164	0.7
365.10193	0.8
367.11859	0.3
371.10977	0.2
377.10062	0.5
378.10959	0.8
379.08157	0.3
379.11887	3.2
380.12228	0.2
381.09308	1.5
381.13486	0.5
391.11856	0.4
391.19058	1.6
393.13281	19.6
394.13571	1.6
397.12744	2.0
399.10495	0.3
405.13528	1.1
411.14417	1.0
435.14465	0.2
443.26990	0.3
443.32327	0.2
461.19620	5.3
461.32614	0.7
479.20673	32.8
480.21161	1.2
501.13898	4.1
512.21082	0.5
519.14941	14.5
520.15094	0.6
555.31342	0.3
597.32434	0.9
623.24445	0.5
641.25146	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	641.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22494	0.4
55.01876	0.7
55.05498	0.9
58.34369	0.4
67.05496	1.0
69.28758	5.2
79.05479	0.9
81.07053	1.0
91.05459	0.8
93.07026	0.7
97.34981	0.4
98.21552	0.9
105.07036	0.6
107.08634	0.5
109.10179	0.6
130.25691	0.4
131.08612	0.7
145.10031	0.6
158.34958	0.4
176.20593	0.4
193.33961	0.4
237.34897	0.4
248.62456	0.3
259.20645	0.5
371.88922	0.5
408.12329	0.9
409.13272	0.6
410.14590	0.8
411.15472	0.5
414.14539	0.9
420.12039	0.6
421.12939	2.6
422.13663	5.3
423.14661	4.1
424.15466	2.0
427.14368	0.6
428.16382	1.2
429.17035	0.5
435.14618	3.6
436.15393	5.5
437.11646	0.6
437.16306	7.8
438.17538	2.0
441.15781	1.6
442.17746	0.6
449.16040	1.9
450.17712	3.1
451.18616	4.4
452.18417	1.6
455.17227	1.0
456.17636	0.5
457.15952	0.6
461.16483	0.4
462.13245	0.6
463.14185	1.8
464.14557	2.9
465.15521	3.4
465.20319	1.3
466.16418	1.7
467.17371	1.5
468.14142	0.6
469.14914	2.0
477.15680	1.0
478.16431	3.0
479.17636	2.9
480.18393	3.2
481.18530	0.6
482.15759	1.0
483.16385	0.7
484.18054	0.9
491.15808	0.5
492.17825	0.8
493.19226	7.0
494.19516	1.9
495.16342	4.6
496.17441	0.7
498.15335	2.0
506.16373	1.2
507.16513	2.6
508.17349	7.6
509.18289	6.0
510.15097	0.8
512.16858	5.0
513.17731	0.5
521.18213	13.9
522.18732	3.6
523.19897	1.3
524.16827	0.8
526.15161	1.9
538.18811	0.8
539.19373	2.1
540.16284	0.6
549.18292	1.6
553.20831	4.0
581.20300	50.1
582.20697	1.2
599.21375	16.9
600.21814	0.5
609.19836	1.2
622.22955	8.0
623.43146	0.9
641.22394	100.0
642.22943	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	641.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.1
52.10741	0.2
53.03944	1.9
55.01840	0.3
55.04186	0.1
55.05462	1.2
55.05749	0.2
57.03386	0.5
59.04959	0.1
61.02889	0.3
67.01798	0.2
67.05467	0.3
67.81643	0.1
68.07247	0.1
68.99751	0.2
69.03429	2.3
69.07034	0.3
70.06559	0.1
70.78698	0.3
70.79016	0.2
71.04937	0.6
73.02859	0.6
79.05438	0.5
81.03412	2.8
81.06998	0.6
83.04970	1.6
83.08560	0.2
85.02898	4.9
85.06496	0.2
87.04426	0.3
91.05476	0.6
92.99242	0.2
92.99756	2.3
93.06978	0.6
95.04918	0.2
95.08533	0.5
97.02879	2.2
99.04449	4.6
101.02330	0.1
103.03934	1.4
103.05409	0.2
105.03331	0.2
105.06974	0.4
107.04954	1.0
107.08529	0.5
109.02872	10.2
109.06466	0.2
109.10101	0.4
115.05392	0.4
117.06969	0.2
118.04102	0.2
119.04935	0.3
119.08562	0.3
121.02863	1.0
121.06425	0.2
121.10100	0.3
125.09618	0.2
127.03908	6.7
127.05351	0.3
128.06184	0.2
129.07002	0.7
131.04924	0.7
133.02771	0.3
133.06415	0.3
133.10112	0.2
135.04398	2.4
135.08025	0.2
135.11597	0.3
137.05901	0.4
139.07451	0.3
145.02797	0.4
145.04959	1.2
145.06421	0.5
145.10097	0.2
147.04347	0.5
147.11658	0.3
149.05894	0.3
151.07475	0.6
153.01776	0.2
153.05363	0.1
155.03719	0.2
155.04892	1.9
156.06462	0.4
157.06474	1.1
159.04321	0.2
159.11708	0.1
161.02261	0.6
161.05968	0.4
161.09558	0.1
163.02682	0.2
163.03894	1.8
163.05898	0.2
165.06857	0.1
165.09038	0.4
167.07043	2.6
167.08403	0.2
171.04393	0.7
173.05939	0.3
174.03084	0.2
174.33228	0.1
175.03842	0.2
177.09105	0.2
179.40405	0.1
181.04907	0.2
181.06358	0.3
181.10251	0.2
185.04431	0.2
185.05975	2.1
187.05962	0.3
189.05504	0.8
190.07788	0.2
191.08492	0.2
191.10564	0.2
194.01875	0.2
194.07254	0.2
195.07925	0.3
199.03845	0.2
201.05389	0.3
203.08601	0.2
205.10114	0.3
205.12137	0.2
207.06540	0.2
207.10086	0.2
208.08748	0.4
209.09483	0.2
213.05402	0.6
215.08496	0.4
216.08652	0.3
217.04927	1.1
218.07205	0.5
219.07942	0.3
220.03615	0.4
222.06709	0.2
223.11165	0.4
229.04852	0.2
233.09657	0.8
235.07686	0.2
236.08356	0.6
237.09029	0.2
247.07619	0.2
249.08871	0.2
251.06825	0.2
251.10684	2.7
253.07059	0.2
254.05547	0.2
255.02779	0.2
261.09128	0.7
263.06964	0.6
264.07767	0.6
265.08701	0.2
266.05688	0.2
267.06467	1.2
269.04684	0.2
270.05176	1.0
271.08063	0.4
273.03918	5.4
274.06363	0.2
278.09238	0.2
279.06873	0.3
279.10098	2.0
283.05923	0.2
289.08612	1.2
290.09296	0.1
291.06442	0.6
291.10123	0.3
292.07297	3.4
293.04483	0.4
293.08066	1.2
294.05206	4.7
305.07980	0.2
306.08652	0.7
307.06100	1.6
307.09583	18.9
308.06735	0.1
308.09839	0.6
311.09085	0.2
317.08011	1.9
318.08743	0.3
319.05847	0.3
320.06772	9.3
321.07272	0.6
331.09647	0.1
333.07547	0.2
334.08380	1.1
335.09103	100.0
336.09457	3.3
347.09192	0.2
349.10599	0.3
359.09106	0.4
363.08591	1.0
371.09869	0.2
377.10181	2.0
379.11658	0.5
389.10007	0.3
393.13333	0.2
405.09656	0.2
443.31912	0.7
461.33215	0.7
479.13409	0.4
497.14383	7.7
498.14685	0.4
541.17230	0.1
579.18567	15.8
580.18933	0.5
581.16510	1.0
605.16498	13.0
606.17029	0.7
623.17529	11.2
624.17902	0.5
641.18579	31.9
642.18597	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	640.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01862	2.9
55.05517	0.6
57.03432	1.9
59.04978	0.4
61.02915	1.7
65.03940	0.4
67.05489	1.3
68.99781	1.2
69.03069	0.7
69.03425	9.6
69.07063	0.9
70.06575	0.7
71.01327	0.4
71.04987	2.2
71.62411	0.4
73.02905	2.8
79.05482	1.0
81.03409	8.6
81.07038	2.0
82.03752	0.4
82.07411	0.4
83.04957	0.9
83.08587	0.6
84.08131	0.8
85.02898	26.7
87.00821	10.0
87.04465	0.4
89.01171	0.4
91.03941	0.9
91.05460	1.9
93.07047	1.3
94.04196	0.5
95.04967	1.2
95.08606	1.7
97.02885	12.6
99.04442	5.1
103.03951	0.6
103.05453	2.8
105.01165	0.7
105.01862	11.9
105.07010	1.5
107.04914	1.1
107.08575	0.5
108.08906	0.4
109.02865	9.8
109.06519	0.7
109.10159	0.8
111.04433	1.2
114.05450	0.4
115.03879	0.8
117.01844	1.6
117.07006	0.6
119.04921	0.9
119.08572	0.6
121.06456	0.7
121.10105	0.6
122.03654	2.3
122.10457	0.4
123.04418	1.6
123.08057	0.8
123.11685	0.7
125.05976	0.7
127.03905	21.5
129.01848	1.4
131.04927	6.8
131.08533	0.6
133.06474	0.8
133.10103	0.5
135.08063	0.6
135.11739	0.5
135.29263	0.4
137.05965	100.0
138.06305	1.2
141.06970	0.4
143.08508	0.4
144.25267	0.4
145.04951	11.4
145.06470	0.8
145.10097	0.5
147.02892	0.7
147.04384	2.0
147.08089	0.5
149.05956	1.1
151.07515	3.8
152.25769	0.3
154.06230	0.9
155.08478	0.4
159.02873	6.4
160.05151	0.6
161.05994	2.8
163.07529	29.7
165.09065	1.0
167.07042	5.2
168.07397	0.6
169.06410	0.8
171.02922	0.4
171.08037	0.4
173.13251	0.4
175.07544	5.2
175.31657	0.4
177.05444	0.7
177.09102	1.7
179.07027	3.0
181.08577	13.5
183.08139	0.4
185.05881	0.4
187.07497	2.3
189.03940	1.4
189.09052	0.9
191.07053	0.9
191.10655	1.1
193.08585	0.9
195.10138	1.1
201.09070	1.2
203.07031	1.4
203.10655	0.6
205.08589	6.3
207.06473	0.7
207.10007	0.4
209.08119	0.4
211.07509	1.0
213.03926	1.1
215.10658	0.5
217.08539	0.9
221.08041	0.5
223.09622	2.1
225.09210	0.5
229.08658	2.1
230.11710	1.2
231.04973	5.3
241.08627	0.4
243.10135	1.6
245.08096	0.8
247.09726	1.7
249.05963	0.7
253.08456	0.4
255.06473	0.4
265.10770	0.6
271.06042	0.8
271.09604	2.5
289.10574	5.6
296.06000	0.5
307.11719	0.9
337.06931	0.5
357.16800	0.8
369.32529	0.4
375.10663	1.8
378.10349	0.5
393.13055	3.4
411.13086	0.4
422.13831	0.5
442.30676	0.6
460.31543	1.0
460.37735	0.6
639.44012	1.3
640.26917	0.4
640.38177	0.5
640.45276	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	640.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
54.24298	1.1
55.01874	2.7
55.05500	2.7
56.05016	3.2
57.03434	5.7
58.06583	2.5
60.04522	1.7
61.82567	1.2
63.49124	1.4
67.01860	3.9
67.05479	3.3
68.99780	2.8
69.03423	7.7
69.07047	1.9
70.06609	2.6
71.01332	1.6
71.04582	1.8
71.04984	28.6
71.61919	1.5
71.62302	1.4
72.08144	2.3
73.02911	2.4
74.06071	1.2
74.59946	1.1
75.04458	3.2
78.03424	1.3
79.05499	3.1
81.03397	5.0
81.07046	4.8
83.04964	5.2
84.08127	1.9
85.02899	48.1
85.06518	2.5
86.09709	1.4
87.04463	1.4
91.05468	7.0
93.07034	4.1
95.04961	7.6
95.08590	2.8
96.04462	2.7
97.02885	7.0
97.06503	1.9
98.06058	1.8
99.04424	2.7
103.03958	1.1
103.05492	1.4
105.07011	3.3
106.02917	7.6
107.04939	4.8
107.08590	3.4
109.02861	5.4
109.06504	1.9
109.10210	1.9
110.06036	2.8
111.04440	4.6
117.07011	1.9
118.29021	1.3
119.04930	8.0
119.08578	3.6
121.02863	3.4
121.06509	3.2
121.10139	1.7
122.06020	16.2
123.04401	8.9
124.03941	13.9
127.03902	11.1
128.04271	1.5
129.05461	12.4
131.04869	2.1
131.08554	1.4
133.06477	1.2
133.10118	3.3
136.07567	26.2
137.05977	4.6
138.05507	9.5
139.03908	1.5
145.02869	1.4
145.04961	1.9
145.06418	5.6
146.05992	4.5
146.07053	1.3
147.04401	33.7
147.06535	4.6
151.03893	1.7
151.07544	2.5
153.01814	100.0
154.08585	1.3
159.11620	1.2
160.07532	2.7
161.06021	1.9
162.09116	16.6
163.03899	7.5
163.07544	1.9
164.07030	4.7
165.05443	1.6
166.04976	5.4
167.07063	9.3
168.06467	2.6
169.01309	1.4
170.04463	2.1
171.02885	29.8
171.04262	1.9
171.51636	1.1
175.04019	1.1
175.14803	5.6
177.05383	3.1
178.05013	2.3
178.08725	1.3
179.03375	25.2
179.07094	1.4
188.07059	5.1
189.05463	1.7
192.06601	3.4
194.04466	35.7
195.02934	5.9
195.13803	1.7
206.07863	1.2
207.06525	5.0
212.05515	4.7
213.14772	1.6
230.07980	1.2
231.06596	1.6
250.07033	2.5
251.06934	1.2
255.06514	3.8
259.06012	3.1
268.08163	4.9
269.07925	1.9
271.06015	3.7
273.07526	30.7
287.09042	2.6
289.03787	2.4
289.07010	40.8
296.09085	6.0
297.07532	10.5
314.10196	59.9
315.08542	12.6
332.11255	32.8
356.09793	2.7
476.15378	3.5
478.16986	4.7
489.58661	1.3
494.16547	21.0
591.47650	1.3
622.21265	3.0
640.22040	11.8
640.39954	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	639.2806
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
58.67564	0.2
62.73507	0.3
67.05511	0.5
69.99393	1.3
73.64833	0.2
81.07016	0.5
91.05463	0.6
93.07030	0.4
95.04959	0.4
95.08610	0.4
105.07047	0.5
109.10111	0.3
127.03876	0.2
158.23959	0.3
172.03882	0.3
204.06505	0.4
213.10190	0.4
225.10164	0.3
227.11797	0.4
237.10196	0.4
239.11775	0.4
249.10246	0.6
251.11794	0.4
263.11819	0.3
294.23264	0.3
340.14325	0.5
379.19366	0.4
391.15396	0.5
392.16568	0.4
393.16876	0.6
393.21286	0.6
405.17117	1.0
406.17941	0.4
407.18546	2.0
408.19720	0.3
419.18973	0.7
420.15167	0.7
420.19608	0.9
421.20453	4.5
422.21100	1.5
423.21829	0.7
430.17651	0.4
432.20084	0.5
433.15793	0.5
433.21344	1.3
434.16568	1.5
434.22412	0.4
435.17450	2.6
435.23230	0.4
436.22803	2.2
437.23407	0.4
445.16650	0.4
446.17526	0.4
447.22693	1.3
448.18777	2.0
449.19571	8.7
450.20389	2.5
451.21292	0.5
459.18231	0.6
460.18631	0.6
461.19675	1.2
462.20618	0.6
463.21609	4.2
464.22162	4.9
465.22852	1.1
474.20483	0.6
475.21530	1.8
476.19437	0.3
477.18860	5.1
478.19669	1.8
479.20593	0.9
487.21222	0.4
491.20752	0.8
492.21732	0.4
493.22705	0.6
494.22961	0.3
495.23926	0.6
505.22394	0.6
507.23660	0.9
519.23608	0.5
521.22046	1.0
523.22986	2.0
533.21997	0.9
535.23602	2.9
536.24420	1.4
537.22009	1.1
547.23297	0.4
549.21619	0.8
550.25635	1.1
551.26282	2.4
561.24805	3.9
564.23682	4.5
565.24432	1.8
567.26300	0.4
579.25946	6.3
580.26501	0.4
581.23651	0.5
592.23456	0.3
593.27612	0.4
595.25671	2.9
596.26367	1.2
607.25311	0.8
610.27716	0.9
611.28766	0.5
621.27319	3.0
624.25616	4.2
639.28046	100.0
640.28412	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	639.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72867	2.7
71.63895	3.3
82.59145	2.1
100.65085	2.6
100.65769	3.1
122.77299	2.8
128.36627	2.7
155.64964	2.4
185.69550	2.8
202.15042	2.4
253.13203	2.8
403.19199	3.9
433.23749	6.2
444.19351	5.3
445.20355	4.5
459.21793	41.3
460.22369	10.1
461.23196	7.2
473.23297	3.9
519.23743	6.0
547.27081	27.8
579.25708	5.1
588.34296	3.0
606.28345	100.0
607.26086	17.2
611.28326	7.5
621.27081	4.7
622.27405	6.1
639.28040	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	639.2807
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.28336	0.9
63.79377	1.0
69.67534	0.9
70.07024	5.3
93.24628	0.9
95.72991	1.1
152.91301	1.0
245.46927	0.9
377.17770	1.7
378.88315	1.1
389.17761	1.2
390.18823	1.5
391.19077	3.1
392.19836	3.0
393.21326	1.2
393.77100	1.0
403.19232	1.5
404.20181	1.3
405.20584	9.3
406.21490	4.1
407.22351	11.6
419.22345	5.1
420.23083	3.9
421.23901	16.9
422.24673	3.9
433.23862	3.6
434.24722	1.8
435.18378	1.7
435.24973	1.1
436.18881	2.3
445.20352	1.2
449.19354	1.5
450.20441	1.3
451.21182	14.8
452.22064	3.4
460.22461	2.0
461.23761	1.3
463.21313	2.1
464.21677	2.0
465.22867	23.2
475.25510	1.8
479.24051	1.6
487.21753	1.6
488.21759	1.6
489.22852	1.5
491.20767	2.0
493.25949	1.9
501.22714	2.6
503.24451	14.3
504.24774	1.7
507.27463	12.8
508.28394	3.2
523.23425	3.3
533.25757	1.5
535.27032	17.0
537.25098	11.6
551.26770	4.5
552.27301	18.2
561.24695	4.5
579.25714	8.4
580.26459	2.6
595.29260	5.9
621.27039	13.6
639.28064	100.0
640.28467	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	639.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13728	0.1
52.91518	0.1
53.03924	0.4
55.01868	0.3
55.05491	0.3
59.05001	0.1
65.03931	0.2
67.05491	0.4
67.54164	0.1
68.99458	0.1
68.99789	0.4
69.03413	0.4
69.07047	0.3
70.06567	0.3
71.04976	0.3
71.63316	0.2
72.08128	0.4
77.23650	0.1
77.24192	0.1
77.36120	0.1
79.05474	0.3
81.03413	1.1
81.07051	0.6
83.04967	0.3
84.08117	0.2
85.02897	0.7
85.06514	0.3
86.09705	0.2
89.03886	0.2
89.54906	0.1
91.05470	1.5
93.07029	0.3
95.04974	1.0
95.08594	0.7
97.02869	0.9
97.06519	0.1
99.04465	0.2
103.05479	0.1
105.03381	7.2
105.06995	0.4
107.04958	0.7
107.08553	0.6
109.02876	0.6
109.06486	0.2
109.10132	0.4
111.04391	0.2
115.05447	0.2
117.06999	0.4
119.04932	1.9
119.08563	0.5
121.02847	0.4
121.06464	0.2
121.10106	0.2
123.04397	0.4
123.08045	0.2
123.11658	0.2
127.03896	1.9
129.06975	0.1
131.04898	0.2
131.08551	0.3
133.02852	0.2
133.10094	0.3
134.03609	0.1
134.25275	0.1
135.04366	0.4
135.07965	0.2
135.11647	0.1
137.02324	7.4
137.05975	0.4
137.09595	0.2
138.05499	0.2
138.33772	0.1
145.02844	0.2
145.04884	0.2
145.05275	0.1
145.06470	1.2
145.10149	0.1
147.04393	2.0
147.08043	0.2
147.11623	0.2
149.02299	0.3
149.05940	0.2
149.09563	0.1
149.13181	0.1
151.03862	0.2
151.07486	0.5
153.01793	0.3
153.05452	0.1
153.06940	0.1
157.03970	0.1
159.04428	0.1
159.08026	0.3
159.11641	0.2
161.02322	1.2
161.05954	0.1
162.03085	0.1
163.03874	0.3
163.07552	0.1
165.09079	0.7
166.08710	0.1
167.07039	0.8
169.06482	0.3
173.05965	3.3
173.13205	0.1
175.03891	2.9
175.14862	0.2
177.05446	0.4
181.04964	0.2
185.06026	0.1
185.16512	0.1
187.03885	0.2
187.07516	0.8
189.05434	0.5
189.09111	0.1
189.12727	0.1
189.16161	0.1
191.14368	0.2
193.04916	0.2
197.06003	0.5
200.04616	0.4
201.05447	18.5
202.05830	0.4
203.07027	0.3
203.10736	0.1
205.12071	0.1
207.06506	6.2
213.05347	0.1
215.07010	4.8
216.07256	0.2
219.06520	0.7
219.10100	0.1
225.05460	0.5
229.04936	2.4
237.07556	0.7
239.03352	0.1
243.06454	1.4
253.04933	1.1
255.06508	0.5
269.04401	0.1
270.05176	0.2
271.05981	100.0
272.06284	1.9
283.05899	0.2
285.07547	0.7
295.05988	0.3
301.06964	0.2
307.06015	0.4
313.06958	0.7
321.07877	0.2
325.07202	0.2
333.07645	0.2
335.09305	0.2
337.06973	0.5
349.06866	0.2
351.10565	0.3
361.06985	0.2
367.08090	0.1
369.11832	0.4
391.08118	0.4
415.08304	0.1
477.11438	0.2
483.10370	0.5
513.11957	0.5
519.12543	0.4
531.12567	0.4
549.13715	0.3
573.13757	0.8
603.14722	0.5
621.16248	0.1
638.37317	0.2
639.16455	1.3
639.39832	0.1
640.17444	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	639.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.5
51.02374	1.1
53.03697	0.3
53.03944	4.7
55.01859	1.1
55.05503	1.4
57.03428	1.0
57.07047	0.3
59.04990	0.3
61.02920	0.8
65.03922	0.4
67.05513	1.9
69.03432	2.4
69.07064	1.5
69.71432	2.2
70.06573	1.2
71.04998	1.1
72.08143	1.4
73.02896	0.7
77.03910	1.8
79.05488	2.0
81.03419	2.1
81.07051	4.0
83.04974	1.0
83.08652	0.3
84.08151	0.8
85.02901	3.0
85.06549	0.8
86.09681	0.9
87.02419	0.3
89.03860	0.4
91.05474	2.7
93.07036	3.6
95.04962	15.6
95.08598	2.7
97.02883	4.2
97.06522	1.2
99.04453	0.9
99.08078	0.5
101.57742	0.3
103.03957	0.4
103.05479	0.4
105.03384	100.0
105.04533	2.9
105.07006	2.3
106.03690	0.7
107.04955	0.8
107.08591	2.7
109.02895	1.9
109.06498	0.9
109.10146	2.6
111.04469	0.4
111.08074	0.8
115.05419	0.7
117.07011	0.4
118.06521	0.4
119.03442	0.4
119.04952	2.8
119.08597	1.9
120.08102	0.4
121.02857	5.8
121.06473	1.4
121.10137	1.6
123.04439	1.0
123.08058	0.6
123.11717	0.8
125.05949	0.3
125.09631	0.5
127.03896	5.7
129.07014	0.5
131.04912	0.5
131.08568	0.7
133.02779	0.3
133.06456	0.5
133.10098	1.3
135.04305	0.3
135.08063	0.9
135.11691	1.4
136.07581	0.4
137.05956	1.8
137.09596	0.7
139.07568	1.4
143.08560	0.6
145.02844	1.2
145.04964	0.6
145.10121	0.9
146.10571	0.3
147.04385	3.6
147.11714	1.0
148.04807	0.4
149.05986	1.9
149.09619	0.5
149.13263	0.7
151.03955	0.7
151.07520	2.5
151.11234	0.4
153.05505	0.7
157.10004	0.3
159.11685	1.0
161.05995	0.7
161.09608	0.8
161.13251	0.7
163.03931	1.0
163.11206	0.3
164.06989	0.3
165.09114	3.9
165.12854	0.6
167.07034	24.2
168.07439	0.5
173.05881	0.4
173.13237	0.3
175.03880	1.5
175.07440	0.3
175.14819	0.6
177.05412	1.6
177.09160	0.3
177.16457	0.4
179.07005	0.3
181.05006	0.6
181.08542	0.6
187.11131	0.4
189.01913	0.6
189.05453	2.5
189.09081	0.8
189.16261	0.3
191.03401	1.3
191.10643	0.8
191.14330	0.3
193.08589	0.5
195.02902	0.5
201.05476	0.4
201.12747	0.4
203.03448	0.9
203.10608	0.5
205.04887	0.5
205.08632	0.6
205.12241	0.6
207.02966	1.4
207.06458	2.5
207.10069	1.4
209.04536	0.7
215.03336	0.7
217.04985	0.5
219.03113	1.4
219.06488	5.4
221.04401	0.7
231.02982	0.3
233.04257	0.4
237.07539	10.3
238.07869	0.3
243.02971	0.4
245.04372	0.6
252.07823	0.4
263.07117	0.4
267.06531	0.6
268.07349	0.4
269.07971	0.5
270.05328	0.5
271.06006	1.0
273.03958	0.4
279.06503	1.2
281.08084	0.7
283.05997	0.9
284.06805	0.5
285.07605	0.8
291.06342	0.5
293.07990	0.4
294.05301	2.2
295.05994	6.4
297.07486	0.8
299.05582	0.3
305.08246	0.5
307.05969	12.9
308.06732	2.8
309.07520	6.3
311.05661	0.4
313.07159	1.5
317.08163	0.4
319.06033	2.1
320.06882	0.6
321.07526	4.6
322.08142	0.7
323.05548	0.5
323.25748	0.4
325.07019	2.9
329.07834	0.4
333.07593	2.8
335.05615	0.7
335.09119	1.4
336.06281	0.4
337.07019	14.2
338.07401	0.5
339.08688	1.3
339.12311	0.4
345.07556	1.4
347.09198	0.7
349.06979	3.3
350.07721	0.7
351.08548	1.7
353.06400	0.6
359.09253	0.4
361.06918	4.3
361.11060	0.4
362.07800	0.8
363.08615	2.5
367.08246	2.3
373.07013	1.2
375.08548	0.8
377.10175	0.8
379.08044	4.1
385.09106	0.6
387.08612	0.5
391.08096	8.9
393.09232	0.4
397.09143	0.7
399.10724	2.0
403.09726	1.0
405.09766	0.5
409.09149	6.5
415.08118	0.6
417.09814	0.4
423.28696	0.5
427.10236	31.0
428.10745	1.1
433.09235	1.4
441.29840	1.2
445.09164	1.4
451.10046	2.6
459.10727	1.4
459.30850	1.9
463.10196	2.2
469.11362	3.2
477.32367	3.2
481.11282	3.2
499.12338	3.9
507.13132	0.6
513.11279	0.6
517.13422	6.0
531.12830	6.5
549.13898	14.1
550.13873	0.3
603.14874	1.1
621.15845	4.2
639.16357	7.6
639.25079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01873	0.5
55.05506	0.5
57.03434	0.2
61.02892	0.1
63.02400	0.2
65.03931	1.9
67.05502	0.6
68.99787	0.2
69.03418	1.0
69.07044	0.4
69.54633	0.9
69.55055	0.5
70.06588	0.2
71.04981	0.2
72.08157	0.3
73.02919	0.2
76.03143	0.3
77.03934	0.8
79.05489	0.9
80.06259	0.2
81.03395	1.0
81.07050	0.8
83.14658	0.2
84.08133	0.3
85.02898	0.8
85.06567	0.4
86.09731	0.3
89.03912	1.1
91.05473	30.2
92.05817	0.3
93.03385	0.3
93.07053	0.9
95.04971	1.2
95.08604	1.0
95.09177	0.2
97.02878	1.2
97.06505	0.4
99.04452	0.3
99.08055	0.2
103.05476	0.8
105.03387	1.2
105.07027	0.8
107.04955	0.6
107.08585	0.8
108.05770	0.3
109.02882	0.7
109.06528	0.4
109.10133	0.8
111.04427	0.3
111.08038	0.2
115.05480	0.3
117.03304	0.3
117.07010	0.7
118.04151	0.5
119.04933	41.5
119.08576	0.6
120.05257	0.6
121.02852	1.5
121.06554	0.4
121.10143	0.6
122.03691	0.4
123.04400	0.5
123.08050	0.3
125.09658	0.2
127.03910	1.3
127.11063	0.2
129.03360	0.7
129.07109	0.2
131.04910	0.6
131.08495	0.3
132.02051	1.8
133.02826	0.5
133.06479	0.3
133.10104	0.7
134.03616	0.2
135.04405	0.8
135.11723	0.4
136.05182	0.8
137.02327	0.4
137.05975	0.6
139.11163	0.2
141.01807	0.4
145.02843	1.4
145.06445	0.8
146.03572	0.3
147.04396	35.3
147.11667	0.2
148.04768	0.5
149.02307	1.9
149.05975	0.6
150.03120	0.2
151.03885	0.2
151.07498	1.0
153.01825	0.5
157.02783	0.3
157.03952	2.6
159.11703	0.3
161.05989	0.6
162.03087	0.3
163.03880	0.9
163.07536	0.3
163.14906	0.2
164.04735	0.9
165.01852	0.8
165.05531	0.2
165.09070	0.8
167.03371	0.9
167.07024	2.1
168.12109	0.2
173.05991	0.4
174.03233	0.2
175.03891	57.4
175.14803	0.2
176.04387	0.9
176.37303	0.2
177.01805	0.3
177.05513	0.8
177.09091	0.2
178.02621	0.3
179.07024	3.0
179.10585	0.2
181.04958	0.3
183.02881	0.8
187.03804	0.2
189.05405	0.5
189.09137	0.3
191.03416	0.2
191.06978	0.3
191.10701	0.3
192.04153	0.4
193.08485	0.4
195.02859	0.5
197.01080	0.2
205.08594	0.2
207.06508	100.0
208.06824	1.2
209.04468	0.2
215.06918	0.2
217.04965	0.7
229.05077	0.2
231.06647	0.2
235.05963	0.2
239.07045	0.4
249.07387	1.0
255.06512	0.3
267.06479	2.9
269.04437	0.3
270.05197	0.5
271.05988	6.2
272.03479	0.2
279.06479	0.2
281.08035	0.7
283.05975	9.9
284.06671	0.9
285.07562	0.5
295.06000	10.3
295.09198	0.4
296.06650	0.2
297.04126	0.2
297.07507	0.6
301.07050	0.6
305.08160	0.4
307.05997	0.5
309.07544	2.5
313.07022	12.6
314.07202	0.4
321.07611	0.3
323.09109	1.6
325.06891	0.2
333.07425	0.4
337.06995	5.1
349.06934	1.4
351.08496	0.4
360.10110	0.2
361.07138	1.4
367.08096	2.5
369.11780	0.6
379.08151	4.7
397.09186	2.6
415.10208	5.6
433.05246	0.4
433.11264	7.2
441.29788	0.2
443.71973	0.3
501.11746	1.6
519.12482	0.7
603.14783	0.2
621.15955	0.3
639.16846	0.9
639.27002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01869	2.2
55.05509	11.8
57.03432	1.7
57.07076	5.2
59.04999	1.4
66.91328	0.9
67.05501	15.3
68.02251	0.9
69.03422	9.6
69.07064	29.8
71.04977	5.7
71.08627	1.5
71.62577	1.5
79.05489	8.7
81.03432	8.4
81.07050	71.7
83.04966	6.4
83.08614	13.4
85.02905	13.6
85.06542	9.6
87.00828	5.0
87.04458	1.0
91.05474	7.8
92.14339	1.0
93.07039	25.2
93.07618	1.4
95.04945	4.3
95.08601	49.3
97.02881	6.7
97.06536	6.9
97.10182	6.2
99.04440	11.9
99.08081	4.9
100.07492	0.9
101.06001	1.9
105.01891	2.2
105.07022	19.7
105.56696	1.2
107.04949	1.7
107.08583	34.1
109.02870	7.0
109.06496	8.3
109.10152	30.0
109.10893	1.3
111.04347	1.0
111.08089	5.6
111.11707	4.9
115.00243	0.9
117.05493	1.0
117.07005	1.9
119.08580	12.7
121.02821	0.9
121.06504	2.0
121.10142	25.8
123.04439	2.6
123.08080	5.6
123.11700	24.3
125.09627	2.9
125.13284	1.5
127.03914	10.1
127.06747	1.0
127.07538	6.2
131.08565	4.2
133.06490	1.7
133.10123	17.2
133.11079	1.9
135.04399	1.3
135.08043	2.9
135.11679	23.1
137.02335	1.2
137.05981	3.7
137.09608	2.7
137.13239	14.0
139.07513	2.0
139.11116	1.8
141.09074	1.7
143.08501	1.4
145.02792	1.0
145.04929	2.4
145.10062	5.2
147.04427	2.8
147.08044	1.5
147.11676	29.1
149.05966	2.1
149.09624	3.5
149.13258	20.8
151.07523	1.5
151.11172	26.9
151.12346	1.9
151.14789	1.9
153.01781	1.2
153.09071	1.2
153.12764	3.8
155.14244	1.8
157.10136	4.0
158.02652	1.0
159.02858	2.0
159.11708	4.7
161.09575	1.5
161.13216	6.6
163.11156	4.6
163.14836	3.7
165.09070	1.2
165.12727	13.9
165.16397	2.3
167.07053	8.7
167.10667	2.3
167.14355	3.0
168.07408	2.4
169.12219	2.0
171.11668	3.7
173.09750	1.0
173.13315	2.9
175.07547	1.6
175.11160	4.5
175.14832	2.8
177.05495	1.4
177.12720	7.8
177.16379	3.9
179.10686	3.8
179.14285	1.6
179.17946	1.4
181.12209	6.5
183.13811	5.0
189.12761	3.5
189.16415	1.6
191.14288	1.9
191.17946	1.4
193.08638	1.5
193.12215	12.8
195.13817	15.3
195.17400	1.3
199.14854	1.5
201.16318	1.6
203.17885	3.1
205.19550	3.4
207.06570	1.7
207.13766	6.9
209.15395	3.7
213.03865	2.1
213.14810	6.2
217.15834	1.0
221.18988	2.3
229.14256	6.4
231.17349	1.4
235.16737	1.2
245.18893	1.3
249.18608	2.3
259.24280	2.1
263.20129	2.6
271.05875	1.7
273.25836	1.3
283.24231	3.1
291.26801	2.0
301.25171	7.2
319.22470	1.3
319.26285	51.6
337.27347	100.0
338.27737	1.6
355.28397	52.0
373.29449	67.6
463.30630	1.1
505.39304	1.1
541.33673	5.3
549.30872	3.0
567.31732	8.4
585.32556	1.5
620.21631	3.0
652.18884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.8
55.05499	1.2
57.03426	0.7
58.06583	0.5
59.05019	0.7
61.02903	0.6
67.14633	0.5
68.05022	0.7
69.03410	3.4
69.07075	0.8
69.43770	1.2
69.44183	4.7
70.06590	7.6
71.04985	0.7
72.08149	6.3
73.02897	0.9
73.06541	1.7
79.05485	1.5
81.03391	1.7
81.07051	1.9
82.06561	0.8
83.04978	1.0
84.04509	1.0
84.08158	2.7
85.02896	5.3
86.06039	0.8
86.09698	2.3
87.04469	9.2
88.04022	0.5
89.06027	100.0
89.10772	0.8
91.05470	1.6
93.07049	0.9
94.06546	1.0
95.04977	1.2
96.08132	1.4
97.02896	2.8
97.06530	8.3
97.87801	0.5
98.06049	0.8
98.09692	4.4
99.04435	1.1
100.07621	0.6
103.03941	1.2
103.45076	0.6
105.07019	3.4
107.04942	1.4
107.07061	5.2
107.08583	1.1
108.08137	0.5
108.60619	0.6
109.02888	1.9
110.02399	1.5
110.07183	0.9
110.09658	0.6
114.09200	0.9
114.10304	1.2
117.09128	0.7
119.04934	2.7
120.08163	0.8
121.02873	1.4
121.06481	0.8
123.04425	0.5
124.07554	0.8
124.11224	8.4
125.05983	3.4
127.03899	7.2
130.08656	1.6
131.04930	0.7
131.07060	2.5
131.08620	0.6
131.12804	0.5
133.06555	2.7
133.08595	63.8
136.07565	1.4
137.05984	0.9
138.05548	0.7
142.08775	0.5
145.02863	1.0
145.04964	1.3
147.04398	10.0
148.04764	0.8
149.05949	0.6
151.09673	0.8
152.07098	1.6
161.05969	5.7
163.03889	1.3
164.04314	0.7
164.07048	1.1
165.05516	0.6
167.07054	2.3
175.09744	2.3
177.05507	1.9
177.11220	29.9
178.05057	1.1
193.08667	2.3
206.04601	1.7
207.06577	1.0
212.12900	0.8
218.11790	1.0
219.12227	0.7
221.13844	5.9
224.12941	0.9
224.16449	1.0
237.02785	0.6
239.14871	2.7
265.16470	1.7
268.08209	1.8
283.17603	4.4
284.18527	0.9
290.15863	0.6
295.06030	0.7
309.19098	1.0
310.09305	1.1
327.20142	2.6
353.21713	1.1
356.17047	1.5
368.17209	0.8
371.22787	3.8
409.09085	0.7
410.21841	1.3
415.25516	3.9
428.22830	6.9
428.35281	0.7
430.13568	1.0
459.27991	53.7
460.28714	1.0
620.31061	3.1
638.31763	19.4
639.31238	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01862	6.2
55.05509	2.5
56.05034	0.6
57.03425	0.8
58.06596	2.5
65.03927	0.7
67.05504	1.4
68.05032	1.3
69.03430	2.9
69.07065	1.1
70.06585	16.4
70.58747	1.7
71.04980	2.0
72.08157	3.2
73.02915	1.1
77.03899	0.5
79.05486	8.8
80.04996	0.5
81.03411	3.5
81.07051	9.3
82.06582	2.0
83.04978	1.8
83.07336	0.8
84.04510	0.5
84.08139	4.9
85.02903	4.7
86.06065	0.6
86.09719	0.7
87.04471	1.5
91.05471	2.4
93.07034	2.1
94.06561	1.8
95.04948	2.5
95.07355	0.5
95.08610	1.6
96.08118	7.0
97.02908	2.3
97.06523	49.2
98.06062	1.5
98.09686	22.0
99.04477	1.3
100.07617	1.5
101.06020	0.7
103.03938	0.8
103.05469	1.7
105.07027	15.7
107.08618	1.4
108.08109	6.1
109.02872	3.3
109.06540	1.2
109.08907	0.9
110.09697	1.9
111.04419	3.5
112.04793	0.7
112.07619	0.6
115.05424	2.8
117.07021	0.6
118.04187	0.5
119.04927	1.6
119.08593	0.7
120.08135	0.6
121.02949	0.5
121.06540	1.3
121.10186	0.7
122.09689	1.3
123.04474	1.5
123.08089	1.2
124.11220	49.8
125.05985	24.1
126.09148	2.3
127.03911	6.1
128.04256	0.5
129.05487	0.6
129.06984	0.6
131.04994	0.9
133.06482	17.7
135.08026	0.9
136.07605	0.6
137.02408	0.5
137.05977	0.8
138.05496	2.6
138.09164	0.6
139.03903	0.7
140.07034	0.7
142.12286	1.2
143.04919	0.6
143.06046	1.0
143.07079	1.2
145.02846	0.5
145.05057	0.6
147.04396	3.4
149.06035	2.1
149.09557	0.6
150.12799	1.2
151.03886	0.7
151.07463	1.1
152.10768	1.4
161.05971	34.7
163.07567	0.5
164.10732	2.1
166.12343	1.7
166.13802	0.5
167.07050	1.5
168.13870	1.1
175.03955	1.0
177.05510	1.4
178.04994	0.6
178.12263	0.6
180.13774	2.6
181.08653	0.8
181.51295	0.5
192.10155	0.9
193.08588	16.2
193.10249	1.0
194.11745	2.9
194.15425	1.2
199.06050	1.2
206.04518	1.2
206.11774	0.6
206.15318	0.6
207.06512	3.0
209.08220	0.5
211.09766	1.0
212.12764	5.3
212.14487	0.5
215.91663	0.5
219.56311	0.5
224.12798	7.2
224.16541	2.1
236.16470	0.8
242.13966	1.4
264.16022	1.7
266.14096	0.8
266.17496	3.5
269.10464	0.6
284.18689	1.3
286.04324	0.7
296.14978	1.7
306.16888	0.5
309.07660	0.7
326.15952	0.9
346.09610	0.6
352.17480	0.6
356.17020	7.4
368.17007	5.9
368.20901	0.8
370.18570	1.1
386.18008	2.7
398.21866	0.6
410.21765	7.7
412.23727	0.9
428.22772	50.2
429.36728	0.5
446.23865	1.9
578.26013	1.0
583.06531	0.5
596.26898	3.1
620.20306	0.8
620.30634	16.7
638.31683	100.0
639.21411	0.6
639.32196	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01862	6.2
55.05509	2.5
56.05034	0.6
57.03425	0.8
58.06596	2.5
65.03927	0.7
67.05504	1.4
68.05032	1.3
69.03430	2.9
69.07065	1.1
70.06585	16.4
70.58747	1.7
71.04980	2.0
72.08157	3.2
73.02915	1.1
77.03899	0.5
79.05486	8.8
80.04996	0.5
81.03411	3.5
81.07051	9.3
82.06582	2.0
83.04978	1.8
83.07336	0.8
84.04510	0.5
84.08139	4.9
85.02903	4.7
86.06065	0.6
86.09719	0.7
87.04471	1.5
91.05471	2.4
93.07034	2.1
94.06561	1.8
95.04948	2.5
95.07355	0.5
95.08610	1.6
96.08118	7.0
97.02908	2.3
97.06523	49.2
98.06062	1.5
98.09686	22.0
99.04477	1.3
100.07617	1.5
101.06020	0.7
103.03938	0.8
103.05469	1.7
105.07027	15.7
107.08618	1.4
108.08109	6.1
109.02872	3.3
109.06540	1.2
109.08907	0.9
110.09697	1.9
111.04419	3.5
112.04793	0.7
112.07619	0.6
115.05424	2.8
117.07021	0.6
118.04187	0.5
119.04927	1.6
119.08593	0.7
120.08135	0.6
121.02949	0.5
121.06540	1.3
121.10186	0.7
122.09689	1.3
123.04474	1.5
123.08089	1.2
124.11220	49.8
125.05985	24.1
126.09148	2.3
127.03911	6.1
128.04256	0.5
129.05487	0.6
129.06984	0.6
131.04994	0.9
133.06482	17.7
135.08026	0.9
136.07605	0.6
137.02408	0.5
137.05977	0.8
138.05496	2.6
138.09164	0.6
139.03903	0.7
140.07034	0.7
142.12286	1.2
143.04919	0.6
143.06046	1.0
143.07079	1.2
145.02846	0.5
145.05057	0.6
147.04396	3.4
149.06035	2.1
149.09557	0.6
150.12799	1.2
151.03886	0.7
151.07463	1.1
152.10768	1.4
161.05971	34.7
163.07567	0.5
164.10732	2.1
166.12343	1.7
166.13802	0.5
167.07050	1.5
168.13870	1.1
175.03955	1.0
177.05510	1.4
178.04994	0.6
178.12263	0.6
180.13774	2.6
181.08653	0.8
181.51295	0.5
192.10155	0.9
193.08588	16.2
193.10249	1.0
194.11745	2.9
194.15425	1.2
199.06050	1.2
206.04518	1.2
206.11774	0.6
206.15318	0.6
207.06512	3.0
209.08220	0.5
211.09766	1.0
212.12764	5.3
212.14487	0.5
215.91663	0.5
219.56311	0.5
224.12798	7.2
224.16541	2.1
236.16470	0.8
242.13966	1.4
264.16022	1.7
266.14096	0.8
266.17496	3.5
269.10464	0.6
284.18689	1.3
286.04324	0.7
296.14978	1.7
306.16888	0.5
309.07660	0.7
326.15952	0.9
346.09610	0.6
352.17480	0.6
356.17020	7.4
368.17007	5.9
368.20901	0.8
370.18570	1.1
386.18008	2.7
398.21866	0.6
410.21765	7.7
412.23727	0.9
428.22772	50.2
429.36728	0.5
446.23865	1.9
578.26013	1.0
583.06531	0.5
596.26898	3.1
620.20306	0.8
620.30634	16.7
638.31683	100.0
639.21411	0.6
639.32196	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	637.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79463	1.5
68.95078	1.7
69.70152	7.4
69.70584	6.6
73.43704	2.1
84.95673	1.9
150.28343	1.6
205.45471	1.8
225.40999	1.8
272.87885	2.1
324.64148	2.2
431.18253	2.7
445.20370	5.7
458.21109	6.9
459.22043	5.8
460.22617	5.1
477.23001	2.9
487.54697	2.1
518.22980	3.8
577.28052	3.4
605.27228	13.7
637.30164	100.0
638.30591	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68367	0.5
55.21544	0.5
65.01855	0.4
69.31281	4.7
69.31694	1.0
97.07619	0.5
105.81953	0.6
109.10061	0.6
127.84630	0.5
129.86424	0.5
148.70114	0.5
191.19681	0.5
236.02815	0.6
251.68962	0.5
291.10635	0.5
293.06271	0.5
361.76404	0.5
377.17450	0.7
388.17999	1.0
389.18555	1.5
390.19031	0.7
391.19241	2.2
392.19910	1.9
399.16229	0.9
400.16989	1.2
401.17542	2.0
402.19025	1.0
403.19366	1.1
404.20514	1.8
405.20636	5.8
406.21436	6.9
411.16949	0.6
413.17789	2.6
414.18420	3.0
415.19312	5.2
416.20160	1.4
417.20871	1.8
418.21759	0.7
419.17511	0.8
419.22934	3.1
420.23108	5.8
421.23798	13.3
422.23962	0.6
427.19125	1.8
428.20184	3.2
429.20847	14.6
430.22128	3.4
431.17816	1.1
431.22610	1.7
432.23343	0.8
433.19897	2.5
433.24088	2.5
434.24533	2.0
442.21497	2.2
443.22568	10.2
444.23480	5.3
445.19678	4.7
446.20908	1.7
447.18161	2.5
448.22144	0.7
455.18820	0.9
456.19113	1.2
457.19061	1.5
457.23877	3.7
458.24875	8.2
459.21838	9.3
460.22665	6.7
461.19324	8.7
462.20081	0.7
469.20712	0.6
470.20938	1.8
471.21875	1.6
472.22589	7.6
473.19339	2.1
473.24139	2.1
475.20569	4.3
476.21786	8.4
477.26926	1.0
483.17883	0.8
484.18878	0.8
485.23529	14.6
486.19287	1.0
486.23947	4.2
487.20242	2.9
488.22061	6.5
489.22821	1.5
490.23947	1.0
491.24350	0.7
493.22443	0.9
499.21289	1.7
500.21451	2.8
501.23282	0.6
502.23709	1.5
503.24353	21.3
504.21317	1.2
505.22223	0.9
513.22791	3.8
514.23541	2.0
517.26050	9.8
529.25781	1.6
535.27063	27.4
536.27521	1.3
545.25470	78.9
546.25439	3.4
549.24976	0.8
562.25104	0.7
563.26392	6.6
573.24927	18.2
574.25275	0.7
577.28204	1.2
578.28644	3.2
605.27551	58.4
606.28088	2.6
637.30170	100.0
638.30511	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2862
Annotation	Insularine 2beta-N-oxide
Peak:m/z	Relative Intensity
54.09941	0.2
55.00889	0.2
55.01828	2.3
55.02111	0.4
55.05483	0.4
56.15366	0.2
60.72273	0.2
67.05470	0.5
69.03384	0.8
69.07062	1.8
70.06544	0.8
70.15111	0.3
70.15482	0.8
71.04971	0.3
72.08133	0.4
73.02870	0.2
74.79357	0.2
79.05464	0.3
81.03365	0.7
81.07001	0.5
84.08095	0.3
85.02847	0.8
85.06535	0.3
85.83287	0.2
87.36232	0.2
91.05424	0.5
93.07009	0.4
94.06516	0.7
95.04937	0.6
95.08535	0.6
96.04457	0.3
97.02840	0.8
97.06498	0.5
98.06004	0.3
98.20729	0.2
99.04398	0.2
105.06966	0.7
107.04911	0.3
107.08536	0.5
108.04430	0.6
108.08038	0.6
109.02831	0.6
109.06464	0.3
112.07564	0.7
117.03346	0.3
118.06512	0.4
119.04910	0.3
119.08553	0.3
120.04455	0.3
120.08091	1.2
121.02801	0.3
122.05972	0.7
122.09587	0.3
123.04382	1.2
123.08094	0.2
127.03905	1.2
128.04257	0.2
133.10100	0.4
134.05927	0.4
136.07538	1.3
137.05887	0.3
138.05455	0.2
140.07050	3.2
142.08620	0.3
144.08037	0.3
145.02782	0.6
145.10054	0.3
146.05975	0.4
147.04410	1.3
147.06746	0.2
148.07570	3.6
149.05960	0.4
149.09573	0.2
150.05463	0.2
158.09581	0.3
160.07587	0.4
163.03906	0.2
164.07045	0.5
165.09074	0.2
167.06999	0.6
168.06581	3.3
170.09651	0.2
172.07501	0.2
172.11147	0.3
173.07072	0.3
173.10751	0.2
174.05479	0.9
174.09148	0.3
175.03891	0.5
177.05583	1.0
181.08760	0.3
182.09570	0.2
185.10623	0.2
186.09174	0.2
187.08606	0.2
196.11208	0.4
197.10666	0.3
198.09090	0.7
198.12807	0.5
199.08624	3.0
199.12259	0.7
200.09218	0.3
200.10834	0.3
201.10246	0.4
202.08586	0.3
202.10690	0.2
203.09378	0.4
207.06517	1.5
209.08264	0.2
210.09081	0.7
211.10162	0.2
211.12262	0.3
212.09401	0.8
213.10236	1.6
213.13631	0.3
214.10828	1.0
215.11731	1.7
223.12315	0.2
224.10645	0.8
224.12608	0.2
225.08040	0.3
225.10196	4.0
226.08572	1.2
226.10933	0.9
227.08342	1.3
227.11772	5.7
228.12399	0.7
229.13338	0.4
237.10110	0.3
239.11763	0.4
241.09784	1.3
241.13376	2.0
242.10384	1.3
243.11282	1.8
243.13457	0.2
243.14848	0.3
251.11644	0.3
252.10277	0.9
252.12466	0.2
255.11278	16.8
256.11710	0.4
257.12811	0.7
259.10883	0.2
259.14420	1.0
267.11288	0.5
269.09872	0.3
269.12814	5.6
270.10931	0.2
271.05994	0.4
271.09286	0.2
271.14188	0.3
273.12250	0.5
274.13013	0.4
283.13342	0.4
284.11722	0.3
285.12216	0.9
286.12973	0.3
287.13873	7.9
288.14206	0.3
289.15500	0.4
297.12326	6.5
298.13055	0.6
299.13889	0.8
301.07034	0.3
303.13348	0.8
305.14908	0.8
315.13351	100.0
316.13873	3.8
317.14648	0.4
331.07996	0.3
393.16870	0.4
432.19205	0.3
433.15073	0.3
450.20325	0.5
509.30338	0.8
573.26923	0.9
591.28296	0.9
601.26611	3.4
619.27563	27.7
620.27631	0.6
637.28143	3.7
637.35675	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.2
55.01865	1.7
55.05502	0.2
57.03424	0.2
67.05492	0.3
68.05022	0.2
69.03416	0.5
69.07066	1.4
70.06588	1.1
70.40987	0.4
71.04974	0.2
72.07855	0.1
72.08161	1.3
73.02900	0.4
73.14422	0.1
79.05469	0.3
81.03401	0.4
81.07063	0.3
84.04482	0.2
84.08126	0.5
85.02907	0.8
85.06602	0.2
86.06052	0.4
86.09697	0.5
87.04459	0.2
87.61883	0.2
91.05462	0.5
93.07043	0.2
94.06540	0.3
95.04962	0.5
95.08615	0.2
96.04478	0.2
97.02886	0.7
97.06506	0.3
98.06026	0.3
103.05435	0.3
105.07043	0.3
106.26244	0.1
107.04963	0.2
107.08606	0.2
108.04469	0.5
108.08089	0.3
108.92251	0.1
109.02869	0.4
109.06513	0.2
110.02395	0.5
110.06039	0.2
110.07199	0.2
112.07599	0.2
113.06020	0.1
114.10341	0.2
116.07001	0.1
119.04931	0.3
120.08131	0.4
121.02882	0.2
121.06600	0.1
121.10131	0.3
122.06014	0.3
123.04440	0.3
124.07606	0.2
126.09181	0.2
127.03927	1.3
131.04959	0.3
133.06483	0.2
133.10109	0.2
135.04419	0.1
136.07538	0.3
137.05984	0.6
140.07051	2.4
145.02829	0.3
145.04892	0.1
145.06401	0.1
146.05988	0.3
147.04401	1.8
147.06795	0.2
148.04660	0.1
148.07570	2.6
148.11234	0.3
150.05490	0.9
151.03899	0.1
152.07085	0.3
158.09520	0.2
160.07600	0.2
161.05998	0.3
163.03917	0.7
163.07585	0.2
164.04242	0.3
167.07004	0.7
168.06540	2.3
169.09749	0.3
170.09665	0.2
173.07132	0.2
174.05511	0.5
174.07831	0.2
175.08577	0.1
175.14793	0.2
177.05513	0.3
181.04984	0.2
181.08710	0.1
185.10854	0.1
191.03412	0.2
198.09138	0.6
199.08646	2.2
199.12300	0.3
200.09279	0.3
203.09377	0.2
207.14832	0.2
209.10750	0.2
210.09039	0.4
212.09447	0.6
213.10234	1.0
214.10999	0.6
215.11809	1.1
216.60458	0.1
218.11462	0.1
218.25845	0.1
224.10719	0.4
225.10187	3.1
226.08778	1.1
226.10799	0.2
227.08273	1.0
227.11772	1.9
229.09642	0.2
235.14586	0.2
237.10162	0.2
238.08722	0.2
239.11719	0.2
241.09787	0.8
241.13388	0.5
242.10373	0.7
243.11279	1.1
246.14810	0.2
251.11674	0.3
252.10179	0.7
253.13361	0.2
255.11279	11.2
269.12820	3.8
279.11261	0.2
281.12756	0.3
283.06036	0.4
287.13971	0.7
295.05911	0.4
297.12305	4.6
298.13110	0.2
299.13815	0.9
305.14929	0.2
307.05920	0.3
311.05527	0.2
315.13351	100.0
316.13794	2.5
317.14841	0.2
321.07526	0.3
325.07025	0.4
329.06427	0.3
335.08878	0.2
337.06754	0.4
345.07526	0.2
351.08551	0.2
379.08246	0.3
389.12305	0.2
391.08005	0.3
407.16074	0.2
409.09225	0.4
427.10352	0.4
439.18555	0.2
499.12103	0.1
529.13141	0.2
583.13947	0.2
619.17542	0.1
619.27307	0.7
637.19257	0.2
637.29639	1.1
664.06445	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	637.2652
Annotation	Chloramultilide D
Peak:m/z	Relative Intensity
67.05486	0.6
70.05445	2.9
75.13273	0.6
81.07042	0.6
89.79385	0.5
300.52097	0.6
355.11838	1.3
367.82861	0.5
391.19846	0.6
392.19897	0.9
407.22330	1.5
410.06497	0.5
414.18683	0.9
415.19330	0.8
421.20398	1.4
429.20877	1.0
430.21802	0.7
435.21619	1.2
443.23016	0.8
444.19131	0.6
457.20651	0.7
458.20941	0.7
471.21722	1.9
472.22943	0.7
473.19476	1.1
475.21640	0.7
485.19684	0.8
486.20044	0.8
487.21362	0.8
491.21030	0.6
499.21262	2.2
500.22064	0.7
513.19189	1.7
517.22455	4.1
527.20215	0.8
531.24017	2.7
549.24872	2.9
559.23419	37.7
560.23907	1.2
577.24506	1.8
587.22955	5.7
591.26233	3.0
605.23907	5.9
619.25464	58.5
620.25891	1.5
637.26514	100.0
638.27209	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65060	3.4
107.08540	0.5
108.86225	0.3
144.65814	0.4
182.09601	0.6
245.02751	0.5
327.12567	0.5
374.16464	0.6
377.17743	0.9
378.18576	0.5
385.14166	0.6
386.15482	0.4
387.16080	0.9
388.17838	0.5
389.18542	0.5
391.19235	1.6
392.20001	1.1
393.20755	2.3
398.16428	0.5
399.16199	1.7
400.16949	3.0
401.17761	3.6
402.18314	0.7
403.19281	0.8
405.20682	0.8
407.22253	2.2
409.48364	0.5
412.17239	0.6
413.17615	2.5
414.18527	3.6
415.14636	0.6
415.19263	7.7
416.20288	1.0
417.20740	1.6
419.18240	1.0
421.20209	2.3
424.16531	0.5
425.17728	1.6
427.19086	1.5
428.20346	3.0
429.15778	0.9
429.21219	7.8
430.21390	1.9
435.21783	1.8
436.22388	0.8
438.18610	0.5
439.19443	0.6
441.17242	1.6
442.17740	1.5
443.18176	2.9
443.22504	4.2
444.18732	4.1
445.20255	2.6
447.17474	0.7
456.20059	2.1
457.20493	5.3
458.21130	3.8
459.22736	0.7
461.19452	0.6
462.20569	1.0
463.20776	0.8
469.16312	0.8
471.22302	7.1
472.23315	4.3
473.19592	4.6
474.20554	1.2
475.16962	0.5
484.19055	1.0
485.19839	3.1
486.20618	5.5
487.21295	2.9
488.21912	1.2
489.22720	1.3
490.20120	2.7
499.21375	11.1
500.22778	2.5
501.19452	0.7
502.19928	0.7
503.24857	4.1
513.19385	1.5
514.19873	1.0
516.21783	0.9
517.22437	4.5
518.19733	0.7
527.20905	2.5
528.21582	1.4
531.23956	14.5
539.39313	1.5
541.22534	0.8
543.23816	1.6
544.21594	0.8
549.25195	0.8
559.23401	81.3
560.23865	1.2
587.22882	14.2
605.23877	0.6
619.25488	100.0
620.25726	1.1
637.26508	14.4
637.37238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45344	0.2
53.03933	1.6
55.01822	1.3
55.05475	0.5
56.41419	0.3
57.03426	1.6
59.97937	0.2
61.02919	1.8
67.05457	0.7
68.99783	1.5
69.03419	12.3
69.03768	0.6
69.07011	0.7
69.51174	0.5
69.51584	1.5
70.06544	0.5
71.01291	0.6
71.04924	1.5
72.08093	0.7
73.02899	1.8
79.05428	0.7
81.03407	10.1
81.06998	1.1
83.01289	0.4
83.04937	0.6
84.04436	0.2
84.08083	0.5
85.02893	16.9
85.06506	0.3
86.09637	0.3
87.00820	5.6
87.04408	0.7
89.05929	0.2
90.86362	0.2
91.03924	0.4
91.05414	1.0
93.03342	0.4
93.07015	0.5
95.04907	0.7
95.08582	1.3
97.02873	5.9
97.10149	0.2
98.05991	0.3
99.03853	0.3
99.04442	3.9
101.02358	0.2
103.03870	0.9
103.05367	0.3
105.01285	0.3
105.01844	2.6
105.03327	0.3
105.06985	0.6
107.04888	0.7
107.08499	0.8
107.36124	0.2
107.42933	0.2
108.02043	0.2
109.02868	8.2
109.06432	0.2
109.10072	0.9
111.04390	0.3
115.03867	0.4
115.05364	0.3
117.01793	0.7
119.04872	0.7
119.08508	0.7
121.02807	0.5
121.06451	0.3
121.10080	0.8
123.04362	0.7
123.08021	0.3
127.03898	12.8
129.01779	1.1
133.02786	0.3
133.10034	0.9
134.03497	0.3
135.04359	0.5
135.08002	0.5
137.02299	0.4
137.05913	0.5
137.09512	0.3
138.05429	0.4
143.04828	0.3
143.08446	0.2
143.32329	0.2
145.04948	2.9
145.06071	0.4
145.06442	0.3
145.10068	0.4
146.59102	0.2
147.02850	0.7
147.04396	1.7
147.11603	0.4
149.05963	0.3
151.03831	0.7
151.07475	0.5
153.01796	0.7
156.41145	0.2
157.10095	0.3
159.02892	3.0
159.11505	0.3
161.05945	0.5
162.06427	0.3
163.03844	2.0
167.06970	0.7
169.06604	0.2
173.05917	0.3
175.03918	0.4
175.07518	0.3
175.14777	0.4
176.04602	0.5
177.05380	0.9
179.08530	0.2
187.05965	0.3
189.05481	0.4
191.03368	2.3
201.05406	0.5
203.03328	0.7
204.04141	1.0
205.04881	1.7
207.06508	0.7
209.09685	0.3
213.03841	0.7
221.04407	0.9
222.05173	0.7
231.04842	1.6
237.08929	0.3
239.06763	0.3
253.08585	1.0
254.09398	0.4
264.07806	0.4
265.08594	0.8
267.06512	0.5
271.05957	2.6
281.08026	3.2
281.10867	0.4
282.08871	1.4
285.07504	0.4
285.11099	0.3
293.08047	1.7
295.06116	0.6
297.11157	0.9
303.08331	0.3
307.06061	0.3
308.06863	0.4
309.07578	1.6
310.08331	1.2
315.13367	1.2
319.05933	0.8
320.06924	0.5
321.07535	2.7
323.09061	1.8
324.06412	0.3
325.06873	0.9
325.10614	0.5
327.08661	0.5
335.08990	1.8
337.06985	7.4
337.10992	0.4
338.07794	22.6
339.08456	1.6
341.10184	0.6
351.08575	1.0
353.10138	58.6
354.10477	1.7
356.08975	1.3
359.11310	0.7
369.09592	0.5
371.11203	46.6
372.11581	1.3
377.10056	0.7
383.10788	0.2
389.12247	100.0
390.12634	2.7
395.11121	0.9
413.12286	1.0
431.13608	0.4
515.14697	0.3
551.17395	1.2
585.75684	0.3
619.16449	1.1
619.27380	0.3
627.77826	0.2
637.17352	4.8
637.27966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.58331	1.2
55.01863	3.2
55.05510	12.4
56.27274	1.1
57.03421	5.0
57.07060	3.3
59.04985	2.5
61.02901	3.1
65.03923	1.7
67.05160	2.1
67.05502	25.3
68.99759	1.5
69.03426	9.2
69.07063	36.6
70.06583	2.1
70.33305	3.4
70.33716	3.1
71.04980	5.1
73.02911	3.1
79.05487	12.2
81.03416	17.1
81.07053	47.4
83.04973	8.5
83.08626	12.3
84.08137	1.5
85.02900	18.5
85.06501	4.0
85.38114	1.2
87.00805	4.5
87.04464	1.6
91.05476	11.1
93.07030	20.7
95.04977	6.7
95.08038	2.2
95.08600	24.5
96.47267	1.4
97.02886	8.5
97.06522	7.1
97.10147	2.3
99.04436	5.0
99.08101	8.4
101.06012	1.5
105.01859	4.0
105.07033	29.3
107.04989	2.0
107.08591	23.8
109.02861	7.3
109.06503	10.8
109.10150	40.8
111.04436	1.3
111.08078	7.3
111.11721	6.7
116.07026	1.3
117.07014	2.4
119.04917	1.2
119.08568	21.0
121.06451	3.4
121.10144	16.0
123.04424	5.4
123.08047	6.3
123.11703	19.2
125.05952	2.7
125.09584	3.4
127.03889	11.2
127.07565	2.6
127.11189	15.2
129.07001	3.1
131.08527	4.7
133.06453	2.7
133.10121	12.5
135.08081	2.5
135.11691	12.2
137.02266	2.7
137.05946	5.2
137.09599	3.6
137.13257	4.4
139.07549	1.6
139.11142	5.3
143.08551	2.4
144.99588	1.5
145.02844	1.6
145.04979	3.4
145.10127	5.7
147.04369	3.8
147.11681	41.7
149.05995	2.9
149.09586	5.4
149.13251	5.2
151.07590	2.1
151.11182	9.4
153.12715	4.3
157.10139	5.2
159.02887	1.7
159.11673	3.9
161.05981	1.6
161.13245	22.4
163.07561	2.2
163.11153	2.9
163.14764	4.6
165.05508	1.7
165.12737	21.7
167.07031	8.7
169.12263	1.8
171.11734	3.3
173.11731	4.4
173.13184	3.0
175.11197	6.3
175.14845	1.5
177.05415	3.5
177.12712	3.4
177.16357	2.2
179.14310	5.8
185.13164	1.6
187.07693	1.4
189.12708	4.3
189.16322	1.7
191.14368	2.5
191.17926	1.5
193.12236	19.9
195.13837	2.3
197.15390	1.5
201.16341	2.6
203.08742	1.4
203.10686	1.5
203.17987	2.1
205.12216	1.7
207.06609	1.4
207.13815	14.5
207.17390	1.4
211.13229	8.3
219.17336	1.9
225.14766	1.9
229.14349	25.3
237.18468	8.1
243.15874	23.1
255.19479	12.6
266.09106	1.6
267.15958	2.7
277.21512	2.4
285.17072	6.5
289.25104	1.7
299.23737	5.4
317.24783	14.8
325.06934	2.0
335.25778	58.5
353.26846	100.0
371.27893	31.0
409.12762	3.0
421.25717	2.7
439.26904	22.5
636.20807	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
54.20513	0.3
55.01871	0.3
55.05513	2.1
57.03434	0.5
59.13210	0.3
61.02916	0.6
65.03912	0.6
69.03424	1.7
69.07063	0.8
70.06591	8.6
70.72489	0.4
70.72817	0.9
71.04984	0.6
72.08151	81.3
72.95827	0.4
73.08482	0.5
73.19785	0.3
79.05479	1.1
81.03414	0.9
84.08132	1.0
84.71275	0.3
85.02898	3.7
86.09708	3.2
87.06410	0.3
89.10787	9.4
91.05479	1.6
95.04955	0.7
97.02870	1.6
98.03693	0.6
98.06049	5.6
98.97572	0.4
101.07127	0.4
105.07034	1.3
107.04948	1.1
109.02878	0.7
109.06516	0.4
110.02411	1.3
110.06055	0.5
111.04445	0.6
113.06005	0.7
114.09174	1.5
114.10311	0.4
115.05412	3.6
115.08702	3.3
119.04935	1.2
121.02896	0.6
121.10162	0.4
123.04411	1.7
125.05986	1.0
127.03922	2.2
131.04922	1.1
131.12909	0.5
133.06491	2.1
135.04474	0.4
136.07581	0.8
137.05933	0.4
138.03120	3.4
138.09167	0.4
140.04675	0.5
143.04918	8.1
145.02881	0.4
145.06462	0.5
145.07603	0.4
147.03384	0.2
147.04404	6.9
148.04787	0.7
149.09610	1.1
150.09166	1.0
151.03842	0.4
152.07068	0.7
153.05460	47.7
155.06999	1.0
159.04388	0.6
160.05209	1.6
161.05977	28.0
162.09088	0.4
165.06966	0.6
167.07039	4.6
170.06030	0.7
171.04420	0.7
173.05998	0.6
175.03975	0.4
177.05443	0.8
179.08559	1.2
180.10175	1.1
181.05013	2.4
181.06413	0.6
182.08176	0.5
183.06516	0.5
183.08063	0.7
183.11304	0.9
187.03781	3.0
188.07071	1.6
189.05460	43.4
195.08109	0.5
197.05952	0.5
198.11227	2.2
199.03917	1.5
201.05411	0.8
202.04887	0.4
203.03380	0.6
205.06474	1.6
207.06398	0.8
207.08084	3.4
209.05959	0.4
210.06790	1.2
211.07545	1.0
215.13936	0.7
217.06561	0.5
218.11758	0.6
220.05223	0.9
221.06021	3.6
222.06700	0.6
223.07605	1.8
225.09128	0.9
233.06033	0.9
234.06760	1.4
235.07520	7.3
235.14471	0.9
236.12823	1.2
237.05489	1.2
238.06236	4.1
239.06847	0.5
240.04167	0.5
241.05048	0.6
242.04456	1.1
248.04541	0.6
249.05476	4.5
249.07790	0.7
250.06239	8.2
251.06984	2.6
252.07845	0.6
253.08592	6.5
253.15474	1.0
255.06500	0.9
261.05414	0.5
262.06210	4.5
263.07037	4.8
264.07788	0.9
265.04886	2.8
265.08908	0.6
266.05740	11.7
267.06461	2.6
269.08090	0.5
271.10574	0.4
277.04932	1.6
278.05722	14.7
279.06540	3.6
280.07242	2.8
281.04630	1.8
281.08060	17.5
282.05322	0.4
282.08545	1.0
283.06009	0.6
283.10385	0.4
290.05713	0.9
291.06497	1.0
293.04517	0.7
293.08014	0.8
294.05188	8.3
295.06003	15.8
295.09216	0.8
297.07800	0.4
298.08310	1.4
299.09256	0.5
306.05219	5.0
307.06064	3.0
308.06702	3.1
309.03979	1.2
309.07516	14.4
309.11075	0.8
310.04669	2.0
310.07971	0.6
311.05405	0.8
311.08853	0.8
313.10687	4.7
315.12173	1.4
321.07697	0.5
323.05447	5.3
323.09109	13.4
324.06210	6.2
325.06927	1.4
334.04581	0.4
338.10089	0.5
339.08615	51.8
340.09067	0.8
341.10175	86.9
342.10406	1.5
349.07104	2.3
352.05466	0.5
353.10175	0.8
363.08780	0.4
366.09589	1.1
367.08115	26.2
368.08270	0.5
385.09155	1.6
397.11087	0.5
412.17624	0.4
429.20197	4.7
437.16974	1.0
438.15475	2.0
454.14481	0.5
455.18112	73.8
456.17310	2.3
473.19089	100.0
474.19467	2.1
515.20105	1.0
533.18695	0.9
545.19092	0.6
551.20056	1.7
563.19989	2.7
581.21240	1.7
599.21948	1.3
617.22162	0.8
632.59802	0.4
635.25177	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05507	1.4
56.96622	0.5
57.03428	0.7
65.03936	0.5
65.29480	0.4
69.03426	2.0
70.06587	8.0
71.04988	0.6
71.26117	1.5
72.08150	77.8
79.05507	1.0
81.03429	1.5
84.08147	1.7
85.02894	3.7
86.09722	1.3
89.10786	10.2
91.05470	1.0
95.04963	0.7
97.02881	1.5
98.03703	0.5
98.06049	4.8
99.04445	0.7
100.11234	0.7
105.07015	1.0
107.04949	1.0
109.02877	1.1
110.02424	1.1
110.06065	0.9
111.04429	0.5
114.09186	1.3
115.05431	3.2
115.08683	3.0
119.04921	0.7
123.04425	1.6
125.05980	0.6
126.09155	0.6
127.03892	3.6
128.92072	0.5
131.04901	0.7
133.06505	1.1
138.03105	3.8
143.04898	8.1
147.04382	2.5
149.09610	1.0
150.09111	1.0
153.05453	47.3
155.06995	0.5
158.61385	0.5
159.04356	0.5
160.05193	1.7
161.05965	25.8
167.06992	4.9
167.10641	0.7
173.05887	0.7
175.03969	0.7
177.05461	1.3
179.08586	0.9
180.10182	1.0
181.04971	2.8
182.08211	0.6
183.08017	0.7
185.06024	0.6
187.03793	2.7
188.06996	0.9
189.05453	40.4
190.05814	0.8
191.40764	0.6
195.08054	0.9
198.11276	2.3
205.06630	1.3
207.07957	3.5
209.05963	0.5
210.06699	0.9
211.07484	1.2
213.05522	0.8
215.13921	1.0
220.05139	0.7
221.05981	2.8
222.06580	0.8
223.07581	1.0
223.86565	0.6
225.09196	1.0
234.06715	1.2
235.07570	5.6
236.12752	1.1
237.05563	1.1
238.06169	4.1
240.04178	0.5
242.04509	1.7
248.04504	0.6
249.05470	4.1
250.06232	8.3
251.06961	1.9
252.07692	0.8
253.08557	6.3
253.15547	1.4
255.06364	0.6
262.06235	3.3
263.06955	4.6
264.07687	1.7
265.04880	3.7
266.05719	13.1
267.06488	2.0
277.04895	1.3
278.05707	16.0
279.06467	4.6
280.07214	3.0
281.04776	1.4
281.08044	16.6
290.05655	0.8
291.06430	0.7
294.05167	7.5
295.05966	14.5
295.09274	0.8
296.06598	1.0
298.08426	1.8
306.05246	4.8
307.05917	1.4
308.06671	3.3
309.04034	0.9
309.07541	14.1
310.04761	1.5
311.05612	0.7
311.09247	0.9
313.10693	4.2
315.12280	1.0
321.07541	1.1
323.05472	4.0
323.09146	13.6
324.06284	6.2
325.07004	0.8
334.04529	0.6
338.10251	0.6
339.08597	50.9
340.08966	1.8
341.10172	87.7
342.10397	2.2
349.06848	2.5
353.09982	0.7
366.09518	1.4
367.08090	25.2
385.09320	0.7
429.20337	4.9
437.17123	1.1
438.15482	2.7
455.18097	74.5
456.17780	1.9
473.19135	100.0
474.19473	2.0
533.19794	1.0
545.18579	0.8
551.20258	1.7
563.19983	2.9
581.21356	1.2
599.22223	1.6
617.23096	0.8
635.14209	0.8
635.23450	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	635.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.2
55.01822	1.4
55.05461	1.0
57.03377	1.3
61.02864	0.8
67.05451	1.2
68.99734	1.0
69.03423	7.7
69.07064	1.3
69.48457	2.2
70.06550	0.5
71.04985	1.5
71.05281	0.4
72.08099	1.2
73.02927	1.4
79.05434	1.1
81.03414	6.6
81.07046	2.8
83.04946	0.4
83.08575	0.3
84.08070	0.5
85.02899	12.5
85.06504	0.7
86.09636	0.6
87.00822	4.2
87.04412	0.6
89.03867	0.3
91.03919	0.4
91.05428	1.2
93.07046	1.9
95.04939	0.6
95.08614	2.2
97.02887	4.9
97.06481	0.6
97.10111	0.6
99.04449	2.5
103.03877	0.6
105.01841	1.9
105.07013	1.5
107.04868	0.5
107.08573	1.8
109.02870	5.9
109.06477	0.7
109.10135	1.5
109.87743	0.3
111.08048	0.5
117.01736	0.4
117.03323	0.7
117.06931	0.6
119.04877	0.9
119.05689	0.3
119.08508	1.2
121.02822	0.5
121.06441	0.6
121.10095	1.4
123.08006	0.6
123.11645	0.8
123.39661	0.3
125.06007	0.5
125.09588	0.4
127.03904	10.1
129.01758	0.9
129.09088	0.3
129.10178	0.3
131.08549	0.6
133.10129	1.3
134.03581	1.2
135.04469	0.3
135.07979	0.6
135.11617	0.9
137.05905	0.7
137.09558	0.4
137.13237	0.3
139.07463	0.4
143.08463	0.3
145.04964	2.0
145.05920	0.4
145.10051	1.1
147.03275	0.3
147.04378	2.7
147.11603	1.0
149.02274	0.9
149.05922	0.7
149.09576	0.5
149.13197	0.4
151.03841	0.6
151.07419	0.3
153.05408	0.5
157.06415	0.3
157.10114	0.4
159.02869	2.1
159.11729	0.4
161.05937	0.5
161.09537	0.3
161.13194	0.3
163.03880	0.4
163.07544	0.5
163.11156	0.6
165.09039	0.5
165.12767	0.3
167.07034	3.1
173.05995	0.3
175.07520	0.5
175.14717	0.4
177.05321	0.7
179.03304	0.5
181.08627	0.3
183.11595	0.4
187.11201	0.3
189.16339	0.5
191.07025	0.3
191.17828	0.4
195.02855	0.4
201.12805	0.3
213.03844	0.6
215.14337	0.3
217.78052	0.3
226.06204	1.0
227.06758	0.3
229.04883	0.4
231.04932	1.0
237.05431	1.4
251.06862	0.4
254.05734	0.7
255.06598	0.6
265.04874	1.1
267.06491	0.5
269.04294	0.3
269.08069	0.7
271.06152	0.3
281.04623	0.4
281.07870	0.5
282.05212	14.3
283.05911	0.8
284.06851	0.9
295.06052	0.5
297.07547	19.9
298.07947	0.6
299.09125	0.3
301.06845	0.6
308.07007	0.3
309.07230	0.5
311.05597	0.6
311.08963	0.3
312.06241	18.3
313.06860	1.2
313.89798	0.3
325.06915	1.4
326.07816	0.4
327.08594	100.0
328.09021	1.7
333.07437	0.3
339.08655	0.7
351.08621	0.7
353.10107	0.3
355.11737	0.3
367.11908	0.4
369.13333	50.9
370.13626	0.7
381.09839	0.4
387.14359	36.6
388.14905	0.7
393.09564	0.3
411.14258	0.4
437.15579	0.3
437.33804	0.5
455.16806	0.4
465.11819	0.3
473.28513	0.4
489.13867	0.7
531.19006	1.3
549.19586	0.9
557.12750	0.6
573.19745	2.5
575.13971	4.5
599.17841	0.7
617.18469	6.3
618.19202	0.4
625.12170	0.3
635.19525	3.0
635.29156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05498	0.3
58.06576	0.2
61.02922	0.5
67.05480	0.7
69.03426	1.6
69.07059	0.3
70.06585	1.7
71.04975	0.9
71.62021	0.2
72.08147	2.8
76.20980	0.3
78.04691	0.6
79.05474	1.0
81.03399	1.0
81.07085	0.3
82.49615	0.2
83.04959	0.8
84.04515	0.3
84.08135	1.6
85.02899	2.7
86.09689	0.4
86.64759	0.2
87.04463	0.2
89.10737	0.3
91.05472	0.9
93.07005	0.7
95.04939	0.6
95.08562	0.3
96.08018	0.3
97.02884	1.5
98.06042	0.5
98.09643	0.4
99.04426	0.6
100.07600	0.3
101.05993	0.4
101.81787	0.2
103.05442	0.5
105.07017	0.9
106.04131	0.6
107.04942	1.5
107.08591	0.5
109.02851	1.1
109.06505	0.3
109.10114	0.4
110.02390	0.7
110.06108	0.2
111.04435	0.3
114.09138	1.1
115.08710	0.3
117.45335	0.2
119.04942	0.6
119.08588	0.2
121.06483	1.0
121.10132	0.5
123.04411	2.4
124.05195	1.0
124.07567	0.4
125.05973	0.4
127.03879	1.4
128.10689	0.6
131.04884	0.3
133.06476	0.5
133.10081	0.3
134.03578	0.3
134.09618	0.3
135.04355	0.3
136.07555	0.5
137.05978	0.9
138.05441	0.4
139.07526	0.3
145.04974	0.3
145.08430	0.3
147.04419	2.0
148.04750	0.4
149.05946	1.2
149.09564	0.6
151.03882	0.5
151.07481	0.3
152.04657	0.8
152.07016	0.6
153.05402	0.4
161.05972	0.9
162.08977	0.3
163.03967	0.3
164.07054	0.3
165.05435	0.3
166.08546	0.3
167.07024	100.0
168.07410	0.5
173.05884	0.2
177.05527	1.2
179.07077	0.5
180.10190	0.5
181.08597	2.0
188.11089	0.3
190.08554	0.2
191.07095	0.4
193.08601	4.0
207.06517	0.6
208.09627	0.3
209.08038	2.2
211.09633	26.4
218.11781	0.4
223.09673	0.5
224.71486	0.3
227.09132	1.2
235.14380	0.3
239.08644	0.4
282.95587	0.3
290.15704	0.3
367.08209	0.6
375.08871	0.3
407.16739	0.3
428.17004	0.8
457.70331	0.3
472.16577	0.7
494.29944	0.3
496.12277	0.4
510.66803	0.3
616.24445	0.4
634.23346	2.7
635.26514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05498	0.3
58.06576	0.2
61.02922	0.5
67.05480	0.7
69.03426	1.6
69.07059	0.3
70.06585	1.7
71.04975	0.9
71.62021	0.2
72.08147	2.8
76.20980	0.3
78.04691	0.6
79.05474	1.0
81.03399	1.0
81.07085	0.3
82.49615	0.2
83.04959	0.8
84.04515	0.3
84.08135	1.6
85.02899	2.7
86.09689	0.4
86.64759	0.2
87.04463	0.2
89.10737	0.3
91.05472	0.9
93.07005	0.7
95.04939	0.6
95.08562	0.3
96.08018	0.3
97.02884	1.5
98.06042	0.5
98.09643	0.4
99.04426	0.6
100.07600	0.3
101.05993	0.4
101.81787	0.2
103.05442	0.5
105.07017	0.9
106.04131	0.6
107.04942	1.5
107.08591	0.5
109.02851	1.1
109.06505	0.3
109.10114	0.4
110.02390	0.7
110.06108	0.2
111.04435	0.3
114.09138	1.1
115.08710	0.3
117.45335	0.2
119.04942	0.6
119.08588	0.2
121.06483	1.0
121.10132	0.5
123.04411	2.4
124.05195	1.0
124.07567	0.4
125.05973	0.4
127.03879	1.4
128.10689	0.6
131.04884	0.3
133.06476	0.5
133.10081	0.3
134.03578	0.3
134.09618	0.3
135.04355	0.3
136.07555	0.5
137.05978	0.9
138.05441	0.4
139.07526	0.3
145.04974	0.3
145.08430	0.3
147.04419	2.0
148.04750	0.4
149.05946	1.2
149.09564	0.6
151.03882	0.5
151.07481	0.3
152.04657	0.8
152.07016	0.6
153.05402	0.4
161.05972	0.9
162.08977	0.3
163.03967	0.3
164.07054	0.3
165.05435	0.3
166.08546	0.3
167.07024	100.0
168.07410	0.5
173.05884	0.2
177.05527	1.2
179.07077	0.5
180.10190	0.5
181.08597	2.0
188.11089	0.3
190.08554	0.2
191.07095	0.4
193.08601	4.0
207.06517	0.6
208.09627	0.3
209.08038	2.2
211.09633	26.4
218.11781	0.4
223.09673	0.5
224.71486	0.3
227.09132	1.2
235.14380	0.3
239.08644	0.4
282.95587	0.3
290.15704	0.3
367.08209	0.6
375.08871	0.3
407.16739	0.3
428.17004	0.8
457.70331	0.3
472.16577	0.7
494.29944	0.3
496.12277	0.4
510.66803	0.3
616.24445	0.4
634.23346	2.7
635.26514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01863	3.8
55.05511	20.9
57.03435	4.8
57.07064	2.8
59.04996	2.9
65.03936	4.0
65.16183	1.4
67.05502	100.0
69.03064	2.8
69.03424	34.2
69.07067	11.2
71.01345	1.2
71.04986	5.4
73.68782	1.2
75.28219	1.5
79.05489	28.4
79.05945	2.0
81.03415	21.2
81.07053	41.6
83.04969	6.9
83.08614	9.8
85.02901	4.3
85.06522	2.9
91.05480	28.9
93.07047	32.7
95.04952	11.3
95.08596	26.5
95.33845	1.3
97.02895	3.4
97.06521	4.2
97.10168	6.3
98.20721	3.8
99.04443	3.1
105.06357	2.7
105.07019	21.7
107.04958	3.1
107.08591	22.0
109.02866	4.2
109.06518	7.1
109.10150	53.7
111.04426	6.5
111.08096	4.3
115.05434	1.8
117.07008	12.2
119.08563	25.2
121.06512	4.7
121.10151	13.5
123.08070	3.6
123.11717	2.2
125.09641	5.0
127.03903	3.5
128.06215	3.4
129.06961	6.5
131.04924	2.4
131.08572	15.2
133.06479	4.3
133.10136	15.7
135.08051	4.7
135.11696	8.4
137.09612	5.6
139.11353	1.5
141.07063	3.6
142.07813	2.8
143.08562	7.2
145.06538	2.9
145.10101	12.7
147.08070	4.0
147.11659	6.4
149.09604	3.2
149.13281	4.6
155.08571	4.5
155.10698	3.2
157.10133	6.3
159.08052	2.7
159.11684	10.9
161.09639	3.1
161.13292	4.3
163.11232	3.2
167.08614	1.6
169.10109	3.7
171.11673	5.2
173.09581	2.2
173.11751	16.9
173.13260	4.9
175.11226	3.8
181.10037	1.9
183.11734	5.0
184.82222	1.4
185.09607	2.4
185.13266	4.0
187.11218	2.7
187.14792	3.2
189.11217	2.6
189.12796	1.6
195.11674	2.5
197.13289	2.6
199.14835	3.7
201.12787	2.1
215.14311	1.5
217.15970	1.6
221.15457	1.7
229.14319	19.5
229.32382	1.9
237.16383	1.7
243.21172	1.9
245.13843	2.7
249.18591	1.4
257.13876	1.6
261.21997	1.7
271.20490	1.9
277.21744	2.1
283.20590	2.5
285.22202	3.2
299.14655	1.7
301.21573	5.9
319.22690	2.5
327.23267	2.5
333.21371	1.5
351.23245	5.8
355.17526	3.1
359.25824	1.6
369.24252	11.1
371.25928	1.8
375.25320	2.7
387.25104	7.4
405.26163	2.3
425.27014	1.6
443.27859	4.1
461.28766	8.4
558.62158	1.8
559.36615	1.6
585.38489	1.6
597.38080	5.1
615.39307	8.1
633.39893	57.5
634.40631	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	633.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01855	0.5
55.05503	0.6
57.03420	0.5
59.06115	0.1
61.02916	0.4
61.58807	0.1
65.03923	0.2
67.05486	1.0
68.99791	0.2
69.03423	2.3
69.07053	1.0
69.58865	0.1
69.62390	1.2
70.06588	0.4
71.04977	0.6
71.16619	0.1
72.08146	0.8
73.02910	0.4
75.51590	0.1
77.03912	0.3
78.04696	1.3
79.05485	1.3
80.80316	0.1
81.03410	1.4
81.07049	2.2
83.04961	0.4
83.08602	0.3
84.04507	0.2
84.08127	0.5
85.02898	3.0
85.06535	0.4
86.09692	0.4
87.00821	0.6
89.10770	0.2
91.05460	1.4
93.03472	0.2
93.07045	1.4
95.04963	1.1
95.08610	1.5
97.02886	1.9
97.06524	0.4
97.10126	0.3
99.04440	0.7
99.08102	0.2
99.73802	0.1
101.02359	0.2
103.05465	0.4
105.01869	0.3
105.07014	2.3
106.04161	0.7
107.04958	1.4
107.08608	1.2
109.02859	1.3
109.06519	0.6
109.10130	1.2
111.04417	0.2
111.08064	0.2
112.07550	0.2
115.05446	0.5
117.07015	0.3
119.04946	0.9
119.08574	1.0
121.06499	1.1
121.10131	1.0
122.03568	0.1
123.03546	0.3
123.04418	3.5
123.08052	0.3
123.11712	0.5
124.05200	1.6
125.05969	0.6
125.09611	0.4
127.03904	4.7
128.04269	0.2
129.01833	0.3
129.06989	0.3
131.04897	0.2
131.08553	0.5
133.06471	1.6
133.10121	0.8
134.03627	0.3
135.04408	0.6
135.08029	0.4
135.11687	0.4
137.02295	0.2
137.05962	0.9
137.09584	0.3
139.03886	0.2
139.07568	0.3
140.07040	0.3
143.06052	0.2
143.08557	0.2
144.05530	0.2
145.02884	0.3
145.04971	0.4
145.06430	0.2
145.10080	0.7
147.04373	1.7
147.07974	0.2
147.11676	0.5
148.04784	0.4
149.04950	0.2
149.05977	1.0
149.09564	0.3
149.13239	0.3
151.03871	1.1
151.07538	0.3
151.11185	0.2
152.04681	1.2
153.01866	0.2
153.05482	0.3
157.06483	0.2
157.10117	0.3
159.02945	0.3
159.11671	0.4
161.05991	1.3
161.09576	0.2
161.13220	0.4
163.03951	0.3
163.07518	0.4
163.11156	0.3
165.05478	0.3
165.09108	0.4
166.06255	0.3
167.07022	100.0
168.04176	0.2
168.07382	1.1
168.33707	0.1
173.09563	0.2
173.13248	0.4
175.03850	0.2
175.07457	0.2
175.14827	0.2
177.05446	0.6
177.16319	0.2
178.06317	0.2
179.07007	0.5
179.10588	0.2
181.06924	0.2
181.08549	1.4
183.11589	0.2
187.06076	0.2
187.07564	0.2
187.11157	0.4
189.09113	0.2
189.16426	0.2
191.06796	0.2
191.10605	0.2
191.17967	0.2
193.08578	6.3
195.02875	0.2
195.08444	0.1
195.10176	0.8
199.14767	0.2
201.16458	0.2
203.17911	0.3
205.12399	0.2
207.06534	0.3
207.10077	0.2
209.11691	0.2
209.15382	0.1
211.09637	6.7
212.10333	0.2
213.05446	0.2
219.17476	0.1
221.04343	0.2
236.06816	0.1
253.10730	0.2
255.06203	0.2
273.07309	0.1
277.08508	0.2
281.08279	0.2
283.06088	0.2
285.07599	0.1
295.05899	0.4
295.09540	0.2
297.07822	0.3
298.04733	0.7
301.07083	0.2
309.07541	0.9
310.04675	0.2
311.05460	0.2
313.07138	1.4
323.05466	0.3
325.06876	0.5
325.10568	0.2
327.08502	0.5
334.08282	0.3
335.09171	0.3
337.06979	0.9
337.10849	0.4
338.07739	0.2
339.08554	0.5
339.12482	0.2
349.10510	0.6
351.08542	0.3
352.09433	1.0
352.13342	0.2
353.09900	0.3
365.10287	0.2
367.11725	12.7
368.12112	1.0
377.10275	0.3
379.11777	0.4
385.12485	0.7
395.11349	0.3
397.07568	0.2
409.12735	0.2
417.25742	0.2
435.31094	0.5
443.49646	0.2
453.15305	0.5
453.27518	0.2
453.33563	0.2
471.16614	0.2
486.12436	0.2
492.20651	0.2
529.16937	0.7
547.34778	0.2
553.30042	0.2
571.35022	0.2
589.35590	0.6
597.15826	0.5
615.16815	1.5
615.33075	0.3
616.17145	0.2
633.20728	0.4
633.34650	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	633.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01855	0.5
55.05503	0.6
57.03420	0.5
59.06115	0.1
61.02916	0.4
61.58807	0.1
65.03923	0.2
67.05486	1.0
68.99791	0.2
69.03423	2.3
69.07053	1.0
69.58865	0.1
69.62390	1.2
70.06588	0.4
71.04977	0.6
71.16619	0.1
72.08146	0.8
73.02910	0.4
75.51590	0.1
77.03912	0.3
78.04696	1.3
79.05485	1.3
80.80316	0.1
81.03410	1.4
81.07049	2.2
83.04961	0.4
83.08602	0.3
84.04507	0.2
84.08127	0.5
85.02898	3.0
85.06535	0.4
86.09692	0.4
87.00821	0.6
89.10770	0.2
91.05460	1.4
93.03472	0.2
93.07045	1.4
95.04963	1.1
95.08610	1.5
97.02886	1.9
97.06524	0.4
97.10126	0.3
99.04440	0.7
99.08102	0.2
99.73802	0.1
101.02359	0.2
103.05465	0.4
105.01869	0.3
105.07014	2.3
106.04161	0.7
107.04958	1.4
107.08608	1.2
109.02859	1.3
109.06519	0.6
109.10130	1.2
111.04417	0.2
111.08064	0.2
112.07550	0.2
115.05446	0.5
117.07015	0.3
119.04946	0.9
119.08574	1.0
121.06499	1.1
121.10131	1.0
122.03568	0.1
123.03546	0.3
123.04418	3.5
123.08052	0.3
123.11712	0.5
124.05200	1.6
125.05969	0.6
125.09611	0.4
127.03904	4.7
128.04269	0.2
129.01833	0.3
129.06989	0.3
131.04897	0.2
131.08553	0.5
133.06471	1.6
133.10121	0.8
134.03627	0.3
135.04408	0.6
135.08029	0.4
135.11687	0.4
137.02295	0.2
137.05962	0.9
137.09584	0.3
139.03886	0.2
139.07568	0.3
140.07040	0.3
143.06052	0.2
143.08557	0.2
144.05530	0.2
145.02884	0.3
145.04971	0.4
145.06430	0.2
145.10080	0.7
147.04373	1.7
147.07974	0.2
147.11676	0.5
148.04784	0.4
149.04950	0.2
149.05977	1.0
149.09564	0.3
149.13239	0.3
151.03871	1.1
151.07538	0.3
151.11185	0.2
152.04681	1.2
153.01866	0.2
153.05482	0.3
157.06483	0.2
157.10117	0.3
159.02945	0.3
159.11671	0.4
161.05991	1.3
161.09576	0.2
161.13220	0.4
163.03951	0.3
163.07518	0.4
163.11156	0.3
165.05478	0.3
165.09108	0.4
166.06255	0.3
167.07022	100.0
168.04176	0.2
168.07382	1.1
168.33707	0.1
173.09563	0.2
173.13248	0.4
175.03850	0.2
175.07457	0.2
175.14827	0.2
177.05446	0.6
177.16319	0.2
178.06317	0.2
179.07007	0.5
179.10588	0.2
181.06924	0.2
181.08549	1.4
183.11589	0.2
187.06076	0.2
187.07564	0.2
187.11157	0.4
189.09113	0.2
189.16426	0.2
191.06796	0.2
191.10605	0.2
191.17967	0.2
193.08578	6.3
195.02875	0.2
195.08444	0.1
195.10176	0.8
199.14767	0.2
201.16458	0.2
203.17911	0.3
205.12399	0.2
207.06534	0.3
207.10077	0.2
209.11691	0.2
209.15382	0.1
211.09637	6.7
212.10333	0.2
213.05446	0.2
219.17476	0.1
221.04343	0.2
236.06816	0.1
253.10730	0.2
255.06203	0.2
273.07309	0.1
277.08508	0.2
281.08279	0.2
283.06088	0.2
285.07599	0.1
295.05899	0.4
295.09540	0.2
297.07822	0.3
298.04733	0.7
301.07083	0.2
309.07541	0.9
310.04675	0.2
311.05460	0.2
313.07138	1.4
323.05466	0.3
325.06876	0.5
325.10568	0.2
327.08502	0.5
334.08282	0.3
335.09171	0.3
337.06979	0.9
337.10849	0.4
338.07739	0.2
339.08554	0.5
339.12482	0.2
349.10510	0.6
351.08542	0.3
352.09433	1.0
352.13342	0.2
353.09900	0.3
365.10287	0.2
367.11725	12.7
368.12112	1.0
377.10275	0.3
379.11777	0.4
385.12485	0.7
395.11349	0.3
397.07568	0.2
409.12735	0.2
417.25742	0.2
435.31094	0.5
443.49646	0.2
453.15305	0.5
453.27518	0.2
453.33563	0.2
471.16614	0.2
486.12436	0.2
492.20651	0.2
529.16937	0.7
547.34778	0.2
553.30042	0.2
571.35022	0.2
589.35590	0.6
597.15826	0.5
615.16815	1.5
615.33075	0.3
616.17145	0.2
633.20728	0.4
633.34650	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	633.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01855	0.5
55.05503	0.6
57.03420	0.5
59.06115	0.1
61.02916	0.4
61.58807	0.1
65.03923	0.2
67.05486	1.0
68.99791	0.2
69.03423	2.3
69.07053	1.0
69.58865	0.1
69.62390	1.2
70.06588	0.4
71.04977	0.6
71.16619	0.1
72.08146	0.8
73.02910	0.4
75.51590	0.1
77.03912	0.3
78.04696	1.3
79.05485	1.3
80.80316	0.1
81.03410	1.4
81.07049	2.2
83.04961	0.4
83.08602	0.3
84.04507	0.2
84.08127	0.5
85.02898	3.0
85.06535	0.4
86.09692	0.4
87.00821	0.6
89.10770	0.2
91.05460	1.4
93.03472	0.2
93.07045	1.4
95.04963	1.1
95.08610	1.5
97.02886	1.9
97.06524	0.4
97.10126	0.3
99.04440	0.7
99.08102	0.2
99.73802	0.1
101.02359	0.2
103.05465	0.4
105.01869	0.3
105.07014	2.3
106.04161	0.7
107.04958	1.4
107.08608	1.2
109.02859	1.3
109.06519	0.6
109.10130	1.2
111.04417	0.2
111.08064	0.2
112.07550	0.2
115.05446	0.5
117.07015	0.3
119.04946	0.9
119.08574	1.0
121.06499	1.1
121.10131	1.0
122.03568	0.1
123.03546	0.3
123.04418	3.5
123.08052	0.3
123.11712	0.5
124.05200	1.6
125.05969	0.6
125.09611	0.4
127.03904	4.7
128.04269	0.2
129.01833	0.3
129.06989	0.3
131.04897	0.2
131.08553	0.5
133.06471	1.6
133.10121	0.8
134.03627	0.3
135.04408	0.6
135.08029	0.4
135.11687	0.4
137.02295	0.2
137.05962	0.9
137.09584	0.3
139.03886	0.2
139.07568	0.3
140.07040	0.3
143.06052	0.2
143.08557	0.2
144.05530	0.2
145.02884	0.3
145.04971	0.4
145.06430	0.2
145.10080	0.7
147.04373	1.7
147.07974	0.2
147.11676	0.5
148.04784	0.4
149.04950	0.2
149.05977	1.0
149.09564	0.3
149.13239	0.3
151.03871	1.1
151.07538	0.3
151.11185	0.2
152.04681	1.2
153.01866	0.2
153.05482	0.3
157.06483	0.2
157.10117	0.3
159.02945	0.3
159.11671	0.4
161.05991	1.3
161.09576	0.2
161.13220	0.4
163.03951	0.3
163.07518	0.4
163.11156	0.3
165.05478	0.3
165.09108	0.4
166.06255	0.3
167.07022	100.0
168.04176	0.2
168.07382	1.1
168.33707	0.1
173.09563	0.2
173.13248	0.4
175.03850	0.2
175.07457	0.2
175.14827	0.2
177.05446	0.6
177.16319	0.2
178.06317	0.2
179.07007	0.5
179.10588	0.2
181.06924	0.2
181.08549	1.4
183.11589	0.2
187.06076	0.2
187.07564	0.2
187.11157	0.4
189.09113	0.2
189.16426	0.2
191.06796	0.2
191.10605	0.2
191.17967	0.2
193.08578	6.3
195.02875	0.2
195.08444	0.1
195.10176	0.8
199.14767	0.2
201.16458	0.2
203.17911	0.3
205.12399	0.2
207.06534	0.3
207.10077	0.2
209.11691	0.2
209.15382	0.1
211.09637	6.7
212.10333	0.2
213.05446	0.2
219.17476	0.1
221.04343	0.2
236.06816	0.1
253.10730	0.2
255.06203	0.2
273.07309	0.1
277.08508	0.2
281.08279	0.2
283.06088	0.2
285.07599	0.1
295.05899	0.4
295.09540	0.2
297.07822	0.3
298.04733	0.7
301.07083	0.2
309.07541	0.9
310.04675	0.2
311.05460	0.2
313.07138	1.4
323.05466	0.3
325.06876	0.5
325.10568	0.2
327.08502	0.5
334.08282	0.3
335.09171	0.3
337.06979	0.9
337.10849	0.4
338.07739	0.2
339.08554	0.5
339.12482	0.2
349.10510	0.6
351.08542	0.3
352.09433	1.0
352.13342	0.2
353.09900	0.3
365.10287	0.2
367.11725	12.7
368.12112	1.0
377.10275	0.3
379.11777	0.4
385.12485	0.7
395.11349	0.3
397.07568	0.2
409.12735	0.2
417.25742	0.2
435.31094	0.5
443.49646	0.2
453.15305	0.5
453.27518	0.2
453.33563	0.2
471.16614	0.2
486.12436	0.2
492.20651	0.2
529.16937	0.7
547.34778	0.2
553.30042	0.2
571.35022	0.2
589.35590	0.6
597.15826	0.5
615.16815	1.5
615.33075	0.3
616.17145	0.2
633.20728	0.4
633.34650	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	633.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.00293	0.2
53.03934	0.3
55.01874	0.3
55.05506	0.4
56.05018	0.2
56.47183	0.2
56.61103	0.1
57.03428	0.3
61.02918	0.3
63.33345	0.2
65.03918	0.2
65.43509	0.1
65.49335	0.1
67.05491	0.6
68.99786	0.1
69.03427	3.5
69.07055	0.6
69.55454	1.2
70.06592	0.9
71.04987	0.3
72.08149	1.1
73.02903	0.3
78.04701	1.2
79.05491	1.7
81.03407	0.8
81.07050	1.0
83.04968	0.4
84.08125	0.6
85.02896	1.5
85.06528	0.4
86.06030	0.3
86.09698	0.2
87.04472	0.2
91.05469	1.6
93.03390	0.2
93.07051	1.0
95.04979	1.0
95.08612	0.8
97.02887	1.3
97.06526	0.4
98.09644	0.2
99.04441	0.4
100.87906	0.2
103.05458	0.8
105.03410	0.9
105.07021	2.0
106.04184	0.8
107.04949	2.3
107.08573	0.7
109.02882	0.9
109.06522	0.3
109.10149	0.6
110.02381	0.4
111.04486	0.3
111.08082	0.3
112.07614	0.3
114.10297	0.2
115.05411	0.5
117.03419	0.1
117.07032	0.3
119.03421	0.1
119.04933	1.1
119.08556	0.5
121.02870	1.5
121.06490	1.2
121.10128	0.6
122.03651	0.2
123.04420	4.5
123.08057	0.2
124.05202	2.2
125.05961	0.5
125.09633	0.2
127.03064	0.2
127.03904	1.9
128.04326	0.2
129.07019	0.3
130.06502	0.2
131.04907	1.3
131.08517	0.4
133.06480	2.0
133.10118	0.5
134.03584	0.4
135.04414	0.4
135.08046	0.4
135.11674	0.3
137.05954	1.7
137.09573	0.4
139.07561	0.2
140.06963	0.2
142.23752	0.1
143.05952	0.2
143.08572	0.3
145.02802	0.4
145.04898	0.3
145.06468	0.5
145.10063	0.5
146.05954	0.2
147.04396	2.8
147.08031	0.3
147.11703	0.3
148.04816	0.2
149.05994	0.9
149.09491	0.2
151.03906	1.0
151.07509	0.8
152.04684	1.4
152.07108	0.3
153.05415	0.5
157.10193	0.2
159.08006	0.4
159.11667	0.2
161.05969	2.0
161.09621	0.2
161.13235	0.2
163.03978	1.0
163.07532	2.2
165.05447	0.2
165.09045	0.3
166.06270	0.2
167.07027	100.0
168.04213	0.2
168.07462	1.6
169.08156	0.2
171.11716	0.2
173.04413	0.2
173.05902	0.3
173.09622	0.3
173.13220	0.2
175.07515	0.5
175.14842	0.3
177.05498	0.8
177.09082	0.7
179.07007	1.1
179.10667	0.2
181.08568	1.6
187.07503	0.9
187.14737	0.2
189.01823	0.4
189.09047	0.4
191.03378	0.3
191.07018	0.2
193.08600	7.8
195.10124	0.2
199.07536	0.2
201.09119	0.4
203.03404	0.2
205.08614	0.3
207.02817	0.7
207.06413	0.4
207.10095	0.3
211.09633	4.0
217.08650	0.4
218.11734	0.3
219.02917	0.3
219.10104	0.5
231.06425	0.3
231.08609	0.7
233.11740	0.6
237.11108	0.3
251.07210	0.2
251.12552	0.2
267.06348	0.2
271.05804	0.3
275.06720	0.2
294.05191	0.6
295.06039	1.3
295.13260	0.3
297.07541	0.3
307.05969	2.8
307.09409	0.2
308.06741	0.5
309.07553	1.3
311.05405	0.2
313.07010	0.3
316.15106	0.2
319.05975	0.5
321.07758	0.8
321.10962	0.2
323.05463	0.3
323.09103	0.3
323.12845	0.5
325.07108	0.9
325.10483	0.3
326.07526	0.2
333.07458	0.2
335.05362	0.2
335.09171	0.3
337.07001	2.5
338.07776	0.2
339.08560	0.4
341.13962	0.5
347.09253	0.2
349.06958	0.4
351.08664	0.4
353.13898	0.2
355.15433	2.6
359.09134	0.3
361.07083	0.9
363.08417	0.3
365.10474	0.2
367.08148	0.5
373.06979	0.2
375.08197	0.3
377.10165	0.3
379.08124	0.6
387.18124	1.5
391.08118	1.1
395.11075	0.3
403.07800	0.2
405.19037	1.9
409.09076	0.7
421.08917	0.2
422.18839	0.2
423.10461	0.3
423.19598	0.4
427.10245	4.8
428.10379	0.3
435.31247	0.3
451.10233	0.2
453.32629	0.3
471.22113	0.3
495.12881	1.0
513.13733	1.8
539.15387	0.7
543.15192	0.7
547.14600	0.3
589.34198	0.3
615.16174	0.4
633.16742	0.7
633.24658	0.2
633.33575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43092	0.9
55.05491	1.2
56.96564	9.2
57.07059	1.0
67.05498	3.2
69.61206	7.6
79.05499	3.8
81.03419	2.9
81.07048	3.6
84.96040	1.4
86.09719	1.4
91.05498	1.6
93.07058	2.6
95.04996	1.4
95.08592	2.5
96.88026	1.0
98.20703	1.6
98.97584	0.9
102.92630	2.7
105.07048	2.2
107.08591	1.6
109.02880	2.2
109.06481	1.4
109.10202	1.2
115.08769	0.9
119.08596	2.3
123.11768	1.2
128.98619	2.6
133.10168	1.6
136.92262	1.1
136.93192	4.2
143.00156	1.3
146.99699	3.2
153.49666	1.0
154.94147	20.5
157.10136	1.4
161.01280	1.3
165.00685	1.2
172.95229	99.2
173.09731	0.9
174.95604	1.0
177.95824	1.4
189.04436	1.1
190.96275	89.0
195.96819	13.3
196.95271	2.3
198.96790	1.5
200.94786	1.8
201.00604	1.5
208.97379	2.2
210.96819	8.4
212.98424	1.3
213.97888	9.8
214.96332	4.7
222.96893	1.0
228.97849	26.9
230.99529	1.3
233.98488	2.0
240.97836	1.8
246.98920	6.3
251.99486	4.4
256.97433	1.7
260.82370	0.9
280.97198	6.3
298.98618	15.8
315.16553	1.0
316.99457	22.5
317.17856	37.4
321.99884	2.4
333.17447	3.0
335.00626	1.2
335.18909	23.6
335.25613	2.2
340.01187	3.6
358.20541	8.8
391.21240	1.1
397.14755	3.3
453.17136	43.6
457.10596	1.6
471.18192	100.0
489.19180	6.3
494.19830	23.2
495.20602	1.4
615.22040	1.5
633.23608	64.7
633.35120	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.1
55.01881	0.3
55.05493	0.2
57.03424	0.2
57.07057	0.1
61.02913	0.1
67.05509	0.4
68.99802	0.2
69.03072	0.1
69.03425	0.9
69.07096	0.3
69.09662	0.1
70.06586	0.1
70.25796	0.2
70.26199	0.1
71.04979	0.1
72.08134	0.1
73.11994	0.1
79.05489	0.3
81.03429	0.4
81.07056	0.7
81.08216	0.1
83.04968	0.3
83.08596	0.1
84.08133	0.1
85.02907	1.0
85.06515	0.2
86.09683	0.1
87.00835	0.1
87.04478	0.3
91.05479	0.4
93.07052	0.5
95.04964	0.2
95.08597	0.7
97.02872	0.6
97.06534	0.2
98.20759	0.1
98.28828	0.1
99.04445	0.3
105.01885	0.1
105.07014	0.5
106.07346	0.1
107.04946	0.2
107.08596	0.7
109.02872	0.5
109.06486	0.2
109.10151	0.5
111.04414	0.1
111.08100	0.2
115.03933	0.3
117.06995	0.1
119.04943	0.5
119.08567	0.4
121.02866	1.5
121.06506	0.2
121.10135	0.4
122.06113	0.1
123.04399	0.2
123.08095	0.1
123.11684	0.2
125.05956	0.2
125.09608	0.2
127.03922	0.6
127.07670	0.1
131.08554	0.2
133.02847	0.1
133.04947	0.2
133.06473	0.1
133.10146	0.4
135.08073	0.1
135.11707	0.3
137.02325	0.4
137.05949	0.1
137.09596	0.1
137.13182	0.1
139.07523	0.1
141.01828	0.9
143.08554	0.2
143.47021	0.1
145.02863	0.1
145.04970	0.1
145.06468	0.2
145.10110	0.3
147.04367	0.2
147.11632	0.2
149.02347	0.2
149.05991	0.1
149.09593	0.2
149.13258	0.1
151.03874	0.1
151.07521	0.1
151.11136	0.1
153.01883	0.1
153.05511	0.1
153.06961	0.1
155.03331	0.1
155.08493	0.1
157.10143	0.1
159.02899	0.1
159.04413	0.1
159.08041	0.1
159.11661	0.2
161.09616	0.1
161.13237	0.2
163.07527	0.1
163.11140	0.1
163.14874	0.1
165.01823	1.9
167.03407	0.1
167.07039	0.7
167.08446	0.1
167.10664	0.1
169.10240	0.1
171.08043	0.2
171.11617	0.1
173.05962	0.1
173.09541	0.1
173.13228	0.1
175.03897	0.1
175.11169	0.1
175.14842	0.1
177.05504	0.1
177.09128	0.1
179.03395	0.4
179.10587	0.1
181.06458	0.2
181.08604	0.2
181.12151	0.1
183.02890	2.1
187.14832	0.1
189.09024	0.1
189.12703	0.1
193.12283	0.1
197.04411	0.5
199.07477	0.2
201.05463	0.1
201.16502	0.1
205.12181	0.1
207.06369	0.1
209.06088	0.1
211.07613	0.1
213.08971	0.1
215.07018	0.1
223.13246	0.1
227.07013	0.3
229.04997	0.3
237.05466	0.2
255.06523	1.1
265.04987	0.2
271.06006	1.4
283.05997	100.0
284.06323	0.8
285.07434	0.2
295.05969	0.3
301.07220	0.1
309.07471	0.1
313.07053	1.4
325.07080	0.3
337.06952	0.2
337.10867	0.1
338.07806	0.1
339.12253	31.9
340.12576	0.2
353.10223	0.2
367.07617	0.1
367.11728	1.1
371.11160	0.3
371.16046	0.2
385.12766	2.0
399.28979	0.2
417.29834	0.2
433.10986	0.1
434.33347	0.1
435.31061	0.1
471.16064	0.6
501.17099	0.4
511.54202	0.1
615.34131	0.1
633.21600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18188	0.4
55.86583	0.4
59.47205	0.4
59.77037	0.4
69.03409	0.6
69.51331	2.7
70.06579	0.4
72.08138	1.2
78.20213	0.4
85.02919	1.0
97.02859	0.5
110.02410	1.4
112.01636	0.4
119.01920	0.5
152.07074	0.8
158.99417	0.4
169.09769	0.4
173.02917	0.6
185.02951	0.8
245.05052	1.0
471.08951	19.7
471.20135	0.7
633.14166	100.0
634.14630	1.9
640.72839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.8
53.03930	0.7
57.03416	0.5
58.90156	0.5
59.04964	0.8
61.02904	2.5
63.70641	0.5
65.03939	1.3
67.05486	2.1
67.55157	0.6
68.99744	0.6
69.03421	61.3
69.07048	1.2
70.06571	1.9
71.04976	1.1
71.63283	1.0
72.08134	1.4
73.02895	0.6
78.04676	1.2
79.05479	2.2
81.03395	2.7
81.07030	2.0
83.04955	0.9
84.08105	1.0
85.02901	4.8
85.06524	0.9
86.09697	0.9
87.04424	0.5
91.05459	2.2
93.03360	0.6
93.07018	2.3
95.01307	0.7
95.04936	2.2
95.08570	2.2
97.02879	3.7
99.04420	1.1
99.05614	0.6
101.06018	0.6
103.03918	0.8
103.05447	1.2
105.03386	2.4
105.07021	4.0
106.04192	0.7
107.04939	3.0
107.08598	1.2
109.02870	7.5
109.06503	0.8
109.10135	2.0
111.04388	1.4
112.07580	2.2
113.32478	0.5
117.03327	0.7
117.07022	0.7
119.04914	6.2
119.08575	1.1
121.02849	21.4
121.06474	1.7
121.10151	1.3
123.04415	6.7
124.05168	1.7
125.02415	0.6
125.05975	1.3
127.03892	7.5
129.05487	0.7
131.04927	1.3
131.08551	1.4
133.06474	1.7
133.10118	0.7
135.04413	1.3
135.08028	1.0
135.11769	0.8
137.02286	0.6
137.05949	2.4
139.07501	0.8
140.07062	1.0
141.05455	0.7
143.04962	1.0
143.08540	0.7
145.02829	2.7
145.04976	0.6
145.06438	1.0
145.10124	2.0
147.04388	4.1
147.08099	0.8
147.11624	0.8
149.02249	0.9
149.05957	2.0
151.03885	1.0
151.07497	1.2
153.05472	5.3
158.08156	0.6
159.04410	1.4
159.07980	0.7
159.11685	1.1
161.05965	2.9
163.03885	2.5
163.07527	2.6
167.07018	77.0
173.02301	0.9
175.03857	1.8
177.01840	1.0
177.05470	2.4
179.03368	2.2
179.07039	1.2
181.04965	1.3
181.08531	1.6
187.03836	1.5
187.07507	0.7
189.01830	4.2
189.05469	0.8
191.03395	5.3
193.08586	7.1
195.02859	2.1
195.06522	2.1
199.03897	0.8
199.14731	0.7
203.03329	2.5
205.04913	1.8
207.02850	10.4
207.06418	1.9
209.04396	2.3
211.09555	3.3
213.07452	0.6
215.03458	1.6
215.10428	0.7
217.04919	1.6
219.02882	7.5
221.04456	2.2
227.03355	1.8
229.04993	1.5
231.02905	2.0
231.06337	1.2
231.08601	16.9
232.06845	0.7
233.04375	1.8
237.03818	1.1
239.03311	0.8
239.07063	1.4
241.04968	1.0
243.02834	1.6
245.04388	1.6
251.06998	1.3
253.04874	1.1
254.05661	0.6
255.02846	1.3
255.06548	1.3
261.03824	0.9
265.08484	0.8
267.06509	2.5
268.07254	3.3
271.05972	2.4
273.03766	1.9
277.08481	0.6
279.06534	3.9
280.07303	1.9
281.08145	3.0
283.05878	2.0
284.06625	0.9
287.06952	0.8
291.06464	0.8
293.08078	1.7
294.02155	0.5
294.05157	13.6
294.08249	1.2
295.05972	25.4
296.06699	1.6
297.07535	2.8
305.07968	1.8
307.05963	57.0
308.06738	12.4
309.07507	24.8
310.07983	0.9
311.05539	0.8
313.06940	2.5
317.07959	1.6
319.06003	10.9
319.09665	1.2
320.06668	2.7
321.07565	13.4
321.11182	1.2
322.08289	1.8
323.05481	1.2
323.09039	1.5
325.07025	13.2
329.07977	1.1
332.06705	0.8
333.07535	8.7
334.08246	0.8
335.05371	2.1
335.09122	4.9
336.06207	1.2
337.07010	51.3
338.07483	1.4
339.08594	3.1
345.07526	4.9
347.05624	1.0
347.09100	2.4
349.07019	11.2
349.10831	1.1
351.08652	5.0
353.06479	1.0
353.10318	1.1
355.08035	0.7
355.15408	2.0
361.06989	17.2
361.11179	1.3
362.07574	1.0
363.08539	6.6
365.06351	0.7
365.10211	2.3
367.08124	8.4
373.06888	5.2
375.08536	2.3
377.10278	4.1
377.14496	0.8
379.08081	10.0
381.09439	1.6
385.09143	0.8
387.08145	1.2
391.08047	29.0
393.09595	1.8
397.09149	3.1
399.10721	7.7
403.08633	2.6
405.09665	3.5
405.18842	2.2
407.11255	1.3
409.09131	17.2
415.08899	0.7
417.30023	0.7
419.11209	0.8
421.09198	2.8
423.10715	6.8
427.10190	100.0
428.10480	2.5
429.09338	1.1
431.11325	0.8
433.09222	4.5
435.31186	0.9
439.10208	2.0
445.09195	1.3
447.10742	1.4
451.10211	6.7
457.11249	3.5
459.10608	1.6
463.10059	1.4
465.21017	0.6
469.11334	7.1
475.09961	1.4
477.11786	1.4
481.11383	2.0
493.11307	4.1
495.12823	21.4
511.12384	4.8
513.13879	41.6
514.13971	1.1
525.13916	1.3
529.13354	6.8
543.14972	14.9
547.14392	8.8
579.14856	0.7
597.15521	1.7
615.16998	10.0
633.17859	25.2
633.26849	1.7
633.34113	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3634
Annotation	Thuggacin A
Peak:m/z	Relative Intensity
53.03940	1.2
53.61238	0.4
55.01867	1.3
55.05506	9.6
57.03432	5.9
57.07068	0.6
58.06593	2.0
59.04995	1.6
61.02916	2.7
65.03940	1.0
67.05507	4.2
68.96655	0.4
69.03426	6.7
69.07063	5.5
70.06584	2.0
71.01350	1.5
71.04647	0.4
71.04986	3.4
71.62349	0.4
71.79725	0.4
72.08154	3.8
73.02907	5.9
75.04475	0.8
79.05485	3.3
81.03405	2.2
81.07050	5.6
82.06569	1.1
83.04974	4.0
83.08620	2.1
84.04488	0.7
84.08135	23.5
85.02898	15.2
85.06527	2.8
86.06055	1.3
87.04459	2.6
91.05475	5.0
93.07041	7.3
95.04945	2.9
95.08604	9.4
96.04504	1.1
97.02896	2.8
97.06516	2.2
97.10156	3.1
98.06034	0.5
98.09695	1.2
99.04462	2.0
100.07621	0.5
100.11253	0.6
101.02361	0.6
101.06010	10.1
103.03934	16.8
105.07024	10.6
107.04955	1.2
107.07853	1.0
107.08582	20.2
109.02901	1.8
109.06493	2.9
109.10143	4.9
110.02383	2.2
111.04440	1.6
111.08080	0.8
113.05972	0.5
114.05502	3.4
115.03925	0.8
115.05421	0.6
117.07065	0.9
119.04955	0.8
119.08570	10.3
121.02879	1.1
121.06422	0.9
121.10133	18.9
122.06075	0.5
123.04449	1.0
123.08041	2.7
123.11706	1.4
125.05981	3.0
125.09734	0.6
127.03905	2.6
128.07083	0.7
128.08195	0.5
128.10696	11.5
129.05476	1.0
130.07745	0.5
131.04950	0.5
131.08595	1.9
133.06494	1.2
133.10123	7.7
133.11070	0.7
135.08060	1.4
135.11685	4.5
136.07585	0.9
137.05978	1.3
137.09560	0.9
138.05458	0.7
140.07036	0.4
141.05417	0.9
143.07047	1.0
143.08595	1.0
145.04971	1.0
145.10121	3.0
146.09248	1.1
146.11743	10.9
147.04402	4.1
147.11679	10.6
148.04800	0.5
149.04453	4.5
149.09599	1.2
149.13278	1.6
151.07533	0.9
152.07036	1.6
157.10156	1.7
159.08072	0.5
159.11708	1.7
161.05998	0.7
161.08110	1.7
161.09564	0.9
161.13318	1.4
163.04004	0.7
163.11206	1.1
167.07037	3.1
167.10593	0.7
169.08559	0.6
169.09937	1.1
170.10918	0.5
171.11661	0.6
173.09561	0.8
173.13254	1.9
175.14807	4.2
176.15714	0.5
177.05482	0.6
177.16464	1.7
185.13232	0.9
187.11197	0.5
187.14789	1.1
188.12845	0.8
189.05525	0.5
199.11229	0.5
199.14731	0.7
201.16541	0.6
207.06580	1.5
209.11743	0.9
218.11743	0.6
248.14943	1.2
254.13991	0.6
271.16995	1.0
272.14944	2.2
283.06076	0.9
289.17947	1.6
290.13324	0.5
290.15958	11.3
295.05954	0.9
306.18384	1.2
307.06265	0.8
307.19040	0.8
308.11328	0.8
308.17087	1.5
319.09540	0.6
321.11371	0.6
336.12405	0.8
348.12390	0.6
351.12292	0.7
361.10599	1.1
378.13361	1.4
381.18201	2.0
396.14584	1.3
408.14578	0.7
415.12314	0.6
432.14468	1.8
438.38184	0.5
450.15497	0.7
468.16696	0.7
470.16183	0.6
486.17673	1.7
578.33063	1.1
596.33984	3.9
614.35291	50.7
615.35858	0.7
632.23743	14.0
632.36285	100.0
633.23328	2.4
633.36688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00753	0.2
55.01860	0.6
55.05514	0.7
56.05008	0.5
57.03433	3.4
59.04994	0.3
61.02905	0.4
67.05496	0.8
69.03420	1.0
69.07050	0.3
70.06577	1.1
70.91342	0.7
70.91694	0.3
71.01334	0.5
71.04987	16.1
72.08144	0.5
73.02911	0.7
75.04468	0.7
81.03413	0.9
81.07056	0.4
82.06574	0.9
83.04966	1.1
84.08136	5.8
85.02896	18.1
85.06549	0.3
86.06078	0.4
87.04470	0.8
91.05488	0.4
95.04957	1.0
97.02902	0.9
98.09637	0.3
99.04440	0.8
100.39732	0.3
101.05975	0.4
105.07053	0.5
107.04955	0.4
108.08138	0.3
109.02860	0.3
109.06510	0.3
111.04404	1.4
119.04955	1.1
120.08094	0.4
121.02847	4.2
122.09700	0.4
127.03887	0.6
128.07079	0.5
129.05458	1.7
133.06477	0.3
140.07001	0.3
145.02829	1.1
147.04414	1.5
148.04755	0.5
150.09177	0.5
166.12393	0.3
167.03384	0.3
167.07010	1.5
177.05452	0.8
183.02840	0.3
189.01837	0.5
191.03535	0.3
195.02924	0.4
203.03430	0.6
203.06999	0.5
207.02936	1.1
209.04256	0.3
211.09521	0.5
215.03407	0.6
217.04950	0.3
221.04446	0.5
228.10141	0.3
230.08150	1.1
231.02959	0.3
233.04381	0.3
236.12836	0.5
267.06537	0.5
268.07172	0.3
271.06046	1.2
279.06674	0.5
281.08167	0.8
283.05997	5.5
284.06729	0.5
290.16141	0.5
293.08087	0.9
293.11417	0.5
294.05252	0.6
295.05997	8.9
296.06625	0.6
297.04437	0.5
297.07291	1.5
305.08133	0.5
306.07825	0.6
307.05972	12.1
308.06888	0.5
309.07538	4.1
311.09210	0.4
313.06989	0.5
317.08008	0.6
318.07959	0.4
318.11325	0.8
319.05951	0.8
319.09698	0.7
320.06424	1.5
321.07584	4.3
321.11237	1.2
322.08350	0.4
323.09250	1.2
325.07043	7.6
330.11243	3.9
331.09052	0.5
331.12064	1.8
333.07529	4.0
333.11108	0.4
335.08682	1.3
336.12326	3.5
337.06976	2.3
337.10788	4.2
339.08569	0.4
342.11331	0.8
343.09546	1.3
345.11215	0.7
347.09109	0.9
348.12280	12.9
349.07028	4.1
349.10843	2.3
351.08566	1.1
353.10254	0.5
354.13422	5.5
355.11853	2.4
360.12265	5.5
361.06946	1.8
361.10757	14.8
363.08542	1.0
365.10287	0.4
366.13388	1.8
367.07843	0.7
367.12061	0.5
368.12875	0.7
372.12372	1.0
373.10779	0.4
375.08514	0.7
375.12656	0.5
377.10315	1.0
378.13327	6.4
379.07947	3.2
379.11926	4.9
384.12387	0.4
385.10425	0.5
386.13861	0.7
387.12228	1.1
389.10065	0.6
390.13263	0.7
391.11816	1.0
396.14407	8.3
397.08820	0.6
397.13327	1.0
402.13318	3.2
403.11700	9.2
404.15259	0.7
405.09317	0.5
407.11215	0.3
408.14508	0.6
409.12836	0.7
414.13333	2.8
415.11649	1.9
420.14374	5.4
421.13120	1.0
426.15756	0.5
432.14349	5.5
433.12775	8.1
433.18661	0.6
450.15469	4.6
451.13892	3.3
468.16522	13.8
469.15558	1.1
486.17551	19.7
487.16251	0.6
542.20129	3.1
560.19226	0.4
578.20178	1.2
596.21423	0.5
614.22223	2.1
632.23297	100.0
633.23743	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	631.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26138	0.3
55.01870	1.1
55.05498	1.1
56.96545	0.4
57.03424	0.8
65.03929	0.9
67.05495	1.4
67.28898	0.3
69.03436	2.3
69.07053	1.2
70.06590	3.1
70.91837	1.2
71.04992	1.8
72.08154	5.6
73.02924	0.6
78.04710	1.6
79.05479	2.3
81.03429	2.2
81.04510	0.5
81.07048	1.8
82.06562	0.5
83.04974	0.9
83.08614	0.4
84.04498	0.6
84.08141	2.1
85.02898	4.4
85.06525	0.5
86.04655	0.4
86.06071	2.0
86.09699	1.6
89.10803	0.5
90.09178	0.6
91.05473	4.5
92.05804	0.5
93.07027	1.7
94.97036	0.4
95.04957	1.5
95.08583	1.2
96.08131	0.5
97.02872	4.7
97.06535	0.7
98.06042	1.1
98.09710	0.6
98.21419	0.4
99.04440	1.4
103.05488	0.9
104.07101	0.4
105.07021	2.6
106.02885	0.6
106.04177	0.9
107.04945	2.9
107.08572	0.8
109.02852	2.1
109.06509	1.0
109.10132	0.7
110.02414	0.8
110.07124	0.6
111.04441	0.4
111.08072	0.5
114.10252	0.7
115.05424	1.1
115.08709	0.5
117.07072	0.5
119.04926	5.0
119.08540	1.5
120.05285	1.2
120.08108	0.8
121.02819	0.6
121.06474	1.2
121.10146	0.6
122.05976	0.5
123.04430	4.5
124.03956	3.6
124.05194	1.7
125.05971	0.6
127.03905	6.3
128.04259	0.5
128.06168	1.2
128.07047	0.5
129.06998	3.1
129.10164	0.6
131.04912	1.1
131.08578	3.7
133.02866	0.5
133.06493	2.4
133.10114	1.4
135.04425	0.8
135.08070	0.7
135.11723	0.6
136.07553	0.9
137.02309	0.7
137.06001	3.3
137.09563	0.4
140.07043	0.7
141.06969	1.4
143.08478	0.7
144.05672	1.2
145.02786	0.5
145.04887	0.6
145.06493	1.4
145.10080	1.0
147.04398	23.0
147.11629	0.3
148.04732	7.6
148.25412	0.4
149.04910	1.7
149.06004	1.2
151.03882	1.3
151.07507	0.9
152.04648	1.4
152.07007	0.9
153.01836	0.4
157.06511	1.7
159.08047	6.1
159.11667	0.6
161.05968	2.5
161.09628	1.2
162.09203	0.6
163.03871	1.0
163.07504	0.6
165.05434	0.5
166.08508	0.4
167.07030	100.0
168.07428	2.4
169.07579	1.0
170.07239	0.7
171.07991	1.4
172.05148	0.8
173.05981	1.4
173.13197	0.5
175.03880	0.5
175.07463	0.8
175.14729	0.8
177.05469	1.4
177.09163	0.5
178.08624	0.4
178.65811	0.5
179.07034	0.9
180.10165	2.4
181.04938	1.1
181.08607	1.6
181.10423	0.8
187.07526	4.7
189.09120	2.1
189.12784	0.8
190.06219	0.5
191.06992	0.8
191.14261	0.6
193.08591	5.5
198.06760	0.6
201.05432	0.6
203.07047	0.8
204.07838	2.2
205.08508	0.7
207.06494	1.2
208.06906	0.5
211.07663	0.6
211.09604	4.5
212.07794	0.6
216.07788	0.6
217.08664	0.9
219.08234	0.4
219.10190	1.4
221.11676	1.0
229.08562	1.0
230.10399	0.5
231.10197	1.6
235.07399	0.4
236.12770	0.8
237.02838	0.5
237.11137	0.7
249.11211	55.4
250.11368	0.8
255.06631	0.5
267.06558	0.7
267.12360	0.5
268.08167	4.8
277.16541	0.8
283.05988	1.1
285.07440	0.5
295.06018	0.7
307.06015	0.6
309.07391	0.5
325.06833	0.6
333.22391	0.5
337.07138	0.4
337.10675	6.1
349.07324	0.5
353.10025	0.6
376.13916	0.7
377.14066	0.7
394.11307	1.4
397.09384	0.5
457.94284	0.3
485.23526	0.6
613.25488	0.6
631.26990	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27596	0.2
55.01874	0.3
57.03425	0.4
67.05486	1.0
69.03423	1.2
69.07079	0.3
69.81432	1.3
70.06570	0.8
71.04968	0.2
72.08143	0.6
78.04695	1.4
79.05486	1.3
81.03415	0.6
81.07037	1.1
83.04991	0.2
84.08124	0.3
85.02900	1.2
85.06507	0.2
91.05469	1.5
93.03378	0.3
93.07034	1.2
95.04980	1.2
95.08046	0.2
95.08597	0.7
97.02892	1.0
99.04453	0.3
103.05451	0.4
105.07011	1.9
106.04170	1.2
107.04941	2.1
107.08591	0.8
109.02860	0.6
109.06471	0.4
109.10155	0.8
110.99986	0.2
112.07531	0.3
115.05452	0.9
117.06978	0.6
119.04911	0.7
119.08561	0.5
121.02891	0.3
121.06477	1.0
121.10108	0.5
122.03616	0.4
123.04417	3.8
123.08095	0.3
123.11732	0.3
124.05216	1.7
125.05969	0.3
127.03920	1.4
128.06198	0.8
129.07019	2.5
131.04860	0.5
131.08557	3.6
133.06479	1.6
133.10083	0.7
135.08081	0.3
135.11642	0.4
137.05954	1.0
137.09515	0.2
139.07529	0.3
141.06978	1.3
143.08534	0.7
144.05725	1.1
145.06526	1.0
145.10101	0.4
147.04384	2.3
147.08049	0.2
147.11674	0.4
148.04823	0.2
149.05919	1.1
151.03922	1.2
151.07503	0.4
152.04666	1.3
153.05415	0.3
153.07010	0.4
157.06477	1.3
159.08041	5.5
159.11693	0.3
161.05998	1.3
161.09608	1.4
167.07024	100.0
168.04152	0.2
168.07372	2.5
169.07666	0.5
170.07179	1.2
171.08037	1.3
172.05231	0.5
173.05988	1.0
173.13235	0.3
174.06778	0.4
175.07455	0.6
175.14789	0.3
177.05435	0.5
178.06198	0.4
179.07095	0.6
181.04901	0.3
181.08594	1.2
185.13400	0.2
187.07518	3.8
189.05406	0.3
189.09097	2.3
191.06987	0.4
193.08594	5.4
195.10106	0.4
199.07492	0.7
202.06189	0.3
203.07043	0.8
204.07829	2.7
205.08528	0.6
206.09206	0.3
207.06583	0.3
209.08064	0.3
211.09634	4.0
211.84386	0.2
216.07864	1.1
217.08630	0.6
218.09233	0.3
219.10135	1.3
221.11636	0.6
231.10106	1.3
233.08105	0.2
233.11737	0.5
237.11136	0.4
249.11201	57.8
250.11539	0.4
267.12180	0.8
297.07443	0.2
309.07306	0.3
321.74600	0.2
325.07104	0.3
379.11636	0.5
415.28192	0.3
417.04068	0.2
420.17508	0.3
421.18024	0.3
440.20728	0.2
451.17130	0.5
459.20554	0.3
485.22784	0.2
545.33490	0.3
587.33789	0.4
613.31885	0.4
631.33435	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	631.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03849	0.5
55.01797	0.4
56.60248	0.4
57.03327	0.8
57.03571	0.5
59.04889	0.5
59.53684	0.3
60.58749	0.3
61.02802	0.9
61.03076	0.5
69.03283	3.5
69.03700	0.9
69.06948	0.7
69.07297	0.3
69.90786	0.3
73.02809	0.7
81.03260	1.6
81.06950	0.7
85.02749	7.7
85.03323	1.3
87.04307	0.9
87.04813	0.4
91.05383	0.6
93.06918	0.6
95.04871	0.4
95.08499	0.7
97.02731	3.3
98.20723	0.9
99.04335	0.7
107.08419	0.6
109.02705	2.1
109.09971	0.4
116.19370	0.3
117.03265	0.5
119.08457	0.6
127.03733	2.9
128.04106	0.5
134.03433	1.1
137.05827	0.5
145.04800	1.1
145.09935	0.4
147.04234	0.7
149.05827	0.4
149.88536	0.4
151.03702	1.6
167.06865	1.0
189.01675	0.6
193.01161	0.4
209.00696	0.6
211.02272	0.7
222.97719	0.3
235.02280	0.8
241.04942	0.5
255.06364	0.8
269.04468	0.4
270.05276	0.5
273.11789	0.5
283.05963	0.8
297.07394	0.7
298.04691	5.8
298.08151	0.8
309.07538	4.6
310.04596	5.0
310.08032	1.4
311.05142	0.8
311.08142	1.0
312.06155	1.1
313.07001	8.9
321.07593	0.5
322.04684	1.8
323.05209	0.5
324.02670	4.8
325.07016	12.3
325.10864	0.8
326.04199	22.1
326.07697	1.4
327.08536	3.3
333.19031	0.4
337.07025	5.9
337.10657	0.7
338.07809	14.4
339.04959	13.0
339.08591	0.6
340.05750	3.7
341.06528	100.0
342.03537	1.1
342.06873	1.3
345.11438	0.5
346.11481	0.6
347.11935	0.9
349.10236	0.6
351.08359	0.5
352.09402	3.2
353.10165	43.6
354.10364	0.6
355.08084	13.5
356.08548	0.5
357.06122	2.7
362.07880	0.6
363.12302	2.9
364.12509	3.0
365.12857	4.0
367.11734	8.8
381.13232	5.6
382.13660	6.1
383.07544	0.7
383.14044	10.8
393.13385	1.2
395.11252	5.0
413.12277	77.3
414.12494	1.0
440.49438	0.4
469.18588	22.2
503.12076	0.4
515.15564	0.9
545.19635	1.1
555.19055	0.4
575.17554	80.8
576.18311	1.5
587.20355	0.7
613.19409	0.4
631.24329	19.1
632.24286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.7
54.37923	0.2
55.01837	0.5
55.05471	0.4
57.03440	1.2
59.04972	0.4
61.02922	1.9
65.03907	0.2
67.05502	1.3
68.36962	0.2
69.03424	6.6
69.07037	0.4
69.88839	1.1
70.06532	0.3
71.01308	0.3
71.04946	0.9
72.08130	0.5
72.08479	0.2
73.02917	1.1
79.05454	0.6
81.03414	3.0
81.07010	0.8
83.01311	0.2
83.04941	0.4
85.02898	13.7
85.06510	0.4
87.04456	0.9
88.03663	0.2
91.03917	0.7
91.05432	0.6
93.06978	0.8
95.04917	0.6
95.08550	0.8
97.02888	4.8
97.10134	0.2
98.21586	0.2
99.04446	1.1
101.02360	0.4
103.03902	0.5
105.06976	0.6
107.04910	0.8
107.08548	0.6
109.02878	1.7
109.06479	0.3
109.10133	0.4
111.04404	0.2
115.05438	0.3
117.06998	0.4
119.04864	0.4
119.08529	0.7
121.10082	0.6
123.04385	0.4
124.37265	0.2
125.09602	0.3
127.03062	0.3
127.03900	3.4
129.06963	0.3
131.08516	0.4
133.10046	0.3
134.03629	2.2
135.11647	0.4
137.05925	0.6
139.07494	0.3
143.08484	0.3
145.04936	1.6
145.10039	0.4
147.04355	0.7
147.11661	0.4
151.03841	0.6
151.07579	0.3
153.05467	0.3
159.07996	0.3
159.11652	0.2
161.05952	0.2
163.03885	0.2
165.05421	0.3
165.09177	0.2
167.07030	2.1
168.07350	0.4
171.04391	0.2
171.11664	0.2
177.05440	0.2
185.05995	0.3
187.07617	0.3
189.05478	1.2
191.03345	0.3
195.13686	0.2
202.07777	0.3
203.10780	0.2
213.05525	1.1
215.03325	0.2
217.10095	0.3
230.05594	0.3
231.06487	0.4
236.19585	0.2
245.09766	1.2
247.07538	0.4
249.07442	0.3
249.11247	0.5
261.08984	0.6
262.09912	0.7
270.64832	0.2
271.05908	0.2
273.09116	1.0
275.06998	0.6
277.08768	0.2
281.08044	0.3
289.08499	1.0
290.09393	1.5
291.10059	0.3
292.07315	0.4
293.04303	0.3
293.07971	0.5
295.06015	0.3
299.05463	0.3
300.07770	0.2
301.08572	1.4
303.06393	0.3
304.07205	0.3
305.08463	0.4
305.11783	0.6
307.06274	0.3
307.09656	0.8
308.06671	0.2
309.07413	1.0
310.04678	2.1
310.07935	0.3
311.08960	0.3
313.06714	0.4
314.03998	1.1
317.08032	0.5
318.08841	2.9
319.09634	0.7
321.07434	0.6
322.04666	0.7
322.08319	0.9
323.05487	0.5
323.09003	0.3
324.06146	0.5
325.07019	6.6
326.07379	0.3
327.08636	0.4
328.07083	0.3
329.06293	3.7
330.08945	0.3
331.09625	0.3
333.11194	4.7
335.08945	0.6
336.06195	0.7
336.09933	0.7
337.06979	2.2
337.10757	1.8
338.07687	0.3
339.08698	0.7
343.09604	0.4
345.07507	0.9
345.11185	0.3
346.08313	8.0
347.09079	0.7
349.07117	0.6
349.10550	0.5
350.07828	0.8
351.08517	2.1
351.12143	0.4
352.09189	0.4
353.10028	0.2
359.08987	0.3
361.10669	21.8
362.11310	0.5
363.08548	1.2
363.12448	0.6
364.09354	9.3
365.09903	2.1
366.10971	0.5
367.11649	1.5
375.12292	0.4
376.08823	0.2
377.10089	0.4
378.11111	0.5
379.11731	72.1
380.12256	1.0
381.13235	1.3
382.13596	0.7
383.10895	0.8
383.14359	0.9
393.13339	2.2
395.11081	0.3
397.12704	1.2
403.11658	0.4
409.12939	0.7
411.14407	0.5
418.14026	0.5
421.12766	1.5
433.16470	3.1
436.15115	0.7
445.12982	0.3
451.17490	15.1
458.17065	0.3
469.18549	100.0
470.18707	1.2
490.19937	0.4
493.18619	0.3
511.19693	0.3
541.16870	1.8
613.21844	0.4
631.18445	1.1
631.36560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2377
Annotation	CHEBI:81547
Peak:m/z	Relative Intensity
53.03908	0.8
55.05451	0.5
57.03378	1.4
61.02915	1.7
67.05466	0.8
69.03423	6.8
69.34055	3.7
69.34451	0.6
71.04939	0.5
73.02848	1.1
79.05418	0.7
81.03406	2.1
81.06995	1.4
85.02898	9.5
85.03383	0.4
87.04427	0.8
91.03891	0.4
91.05444	0.7
93.06995	0.8
95.08556	0.3
97.02886	3.2
99.04401	0.6
100.51502	0.3
105.06977	0.5
107.04889	0.8
107.08540	0.4
109.02817	1.3
109.06467	0.5
121.06413	0.6
121.10110	0.6
123.04356	0.8
127.03905	2.1
131.08539	0.5
133.02815	0.5
134.03526	0.4
135.04396	0.9
137.05875	1.1
145.06430	0.4
145.10060	0.4
147.04311	0.6
149.05864	0.4
150.03046	0.6
151.03899	2.6
155.08530	0.4
157.06427	0.4
157.09975	0.5
159.04356	0.7
163.03854	0.4
165.05418	1.2
167.06946	0.7
167.08411	0.3
171.08023	0.6
185.05821	0.5
187.07516	0.8
189.05403	0.6
193.10072	0.7
195.07976	0.4
199.07426	0.6
199.11055	0.4
201.05446	0.4
203.06905	0.4
211.07347	0.4
212.08261	0.5
213.05418	3.6
219.08247	0.4
223.07448	0.4
223.11069	0.5
225.05302	0.6
225.09035	1.2
226.09822	0.7
227.06967	0.5
231.06364	0.5
239.06976	0.6
239.10619	0.6
241.12180	0.5
245.09633	0.7
247.07526	0.5
248.08345	0.7
251.07004	0.9
253.08578	1.0
257.54019	0.4
261.08905	0.5
262.09894	0.5
265.08554	0.5
267.10098	1.5
269.07993	1.2
273.09085	0.7
279.03339	0.5
289.08524	0.4
298.04520	0.4
301.08597	0.5
302.09204	0.5
305.07898	0.4
305.11923	0.5
307.09525	1.2
309.07416	0.6
310.04596	1.0
311.10742	0.4
312.11243	0.4
317.08228	0.4
318.08749	0.8
319.09503	0.7
319.13174	0.6
320.10370	0.4
321.07748	0.4
322.04504	0.6
324.06143	0.5
325.06964	3.5
329.06958	0.6
329.11749	1.0
331.09637	0.6
333.07474	0.9
333.11038	0.7
334.08237	0.7
335.09119	1.4
336.06189	0.7
336.09808	0.4
337.06973	0.8
337.10760	0.4
339.08554	0.4
341.12064	0.5
343.09610	0.5
343.13425	0.5
345.11121	0.4
346.08313	3.6
347.08859	0.7
347.12720	0.7
348.09912	0.8
349.10562	0.8
351.08612	1.6
351.12210	0.4
356.10056	0.5
357.11267	2.0
358.08252	1.0
359.08945	0.5
361.06830	0.5
361.10727	5.8
361.14807	0.3
363.08572	1.0
363.12231	1.3
364.09225	4.4
365.13199	0.7
367.11752	0.7
370.08334	0.5
371.08722	0.6
371.12836	0.8
372.09750	0.6
373.10641	1.3
375.08585	0.4
375.12384	3.7
376.09030	0.5
377.10056	1.0
378.10797	0.6
379.11725	16.8
380.12006	1.0
382.12415	0.4
383.12479	0.6
385.10654	4.4
386.11197	0.4
389.14203	0.7
390.14362	0.5
391.11450	2.9
391.15869	0.4
393.13431	1.1
394.13605	0.5
395.13647	1.0
397.13821	0.9
399.12064	0.8
400.12967	3.1
401.13989	0.7
401.72110	0.3
403.11740	3.7
405.12921	0.7
415.15408	6.8
417.13382	1.1
418.14084	8.8
431.15234	0.4
433.16434	100.0
434.16708	2.0
451.17526	12.7
469.18396	1.2
475.17667	2.1
541.16992	4.4
559.17944	1.9
595.21698	55.6
596.22003	0.7
613.22754	18.1
614.23218	0.5
631.22302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01867	0.9
55.05466	0.4
57.03391	1.1
57.03699	0.2
58.43091	0.1
61.02926	1.1
67.05473	0.3
68.99789	0.8
69.03423	6.9
69.89411	0.7
71.01299	0.2
71.05000	0.8
71.59210	0.1
73.02908	1.3
75.04443	0.2
79.05440	0.3
81.03410	5.7
83.01319	0.1
85.02898	8.5
87.00823	2.5
87.04424	0.3
91.03892	0.1
91.05467	1.1
95.04922	0.4
95.08534	0.1
97.02885	2.6
99.04453	2.0
101.02348	0.3
103.03945	1.0
105.01871	1.1
107.04874	0.2
109.02872	4.0
115.03883	0.2
117.01799	0.2
119.04906	1.0
121.02857	1.1
123.04353	0.4
127.03905	5.9
129.01796	0.7
131.04883	0.2
135.04329	0.2
141.01770	0.2
141.05383	0.3
145.02838	0.2
145.04938	1.4
147.03113	0.2
147.04395	2.3
158.28952	0.1
159.02873	0.9
159.04016	0.1
159.04474	0.1
163.03847	0.4
165.05487	1.5
167.07011	0.2
178.07619	0.2
179.08540	0.3
181.04907	0.2
181.06422	0.2
182.07245	0.2
187.05986	0.9
189.03784	0.1
191.03355	2.0
197.09598	0.4
207.08101	0.3
209.04419	1.6
210.06728	0.2
213.03873	0.4
215.92595	0.1
225.09035	0.4
227.71207	0.1
231.04843	0.6
235.07457	0.2
237.05463	0.2
253.04836	0.2
253.08643	0.8
255.06447	0.7
259.05972	0.2
263.07053	0.3
266.05722	0.1
279.06332	0.2
280.07181	0.4
281.08078	3.5
283.06064	0.2
291.06534	0.8
292.07294	0.3
295.05920	0.3
297.07541	0.4
307.06030	0.2
308.06891	0.6
309.07532	100.0
310.07898	2.0
315.08524	0.2
319.09769	0.1
321.07626	0.3
323.09317	0.2
324.06302	0.4
327.08591	12.2
328.09009	0.2
333.07617	0.9
337.06964	0.3
337.10712	0.9
339.08676	0.2
351.08591	6.3
363.08582	0.4
365.13815	3.9
369.09506	0.3
375.08517	0.3
383.14850	32.0
384.15259	0.6
407.14804	0.2
408.89322	0.1
417.10321	0.2
425.16010	0.4
435.10553	0.3
453.11978	0.5
471.12756	2.0
489.13828	1.1
499.16116	0.2
513.13776	1.8
513.20746	0.2
527.19171	0.4
531.14984	2.6
539.12000	0.4
545.20111	7.5
546.20630	0.2
557.12811	3.2
569.20068	0.6
575.13940	9.1
576.14557	0.2
587.21234	1.8
595.18408	0.2
597.21881	0.1
613.19061	2.7
631.20123	17.2
632.20569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.7
51.02381	1.2
52.14260	0.3
53.03941	2.0
55.01867	0.8
55.05493	0.4
57.03429	0.9
58.06601	0.3
58.62791	0.3
61.02913	0.4
67.03635	0.3
67.05499	0.4
69.03422	8.1
70.06586	0.9
71.04988	1.4
71.62496	0.4
72.08142	0.7
73.02898	1.0
78.03445	11.3
78.03896	0.7
79.04231	0.3
79.05479	0.9
80.05002	2.2
81.03409	13.4
81.07055	0.8
83.04972	0.7
84.08131	2.0
85.02897	7.0
85.06564	0.3
86.06052	0.6
91.05475	1.5
93.07031	0.4
94.04171	1.3
95.04948	0.8
95.08595	0.6
96.04475	6.6
97.02880	5.2
97.25335	0.3
98.09689	1.2
99.04442	3.0
101.06010	0.8
102.11927	0.3
103.05466	1.3
105.07016	1.2
106.02902	51.8
107.04945	0.8
108.05342	0.3
109.02869	8.6
109.06496	0.6
109.10164	0.3
111.04459	0.3
115.05439	0.4
117.06976	0.6
117.82685	0.3
119.04914	1.0
119.05998	0.4
121.06463	0.6
122.03635	3.4
123.04373	1.6
124.03937	100.0
125.05944	0.3
127.03904	6.9
128.06189	0.8
128.07072	0.4
128.10732	0.7
129.06995	0.7
131.04903	1.2
131.08543	1.0
133.06499	2.9
133.10161	0.5
135.04399	0.5
135.08025	0.9
137.05959	41.4
140.07056	0.4
143.08536	1.2
145.04918	0.5
145.06436	1.3
145.10078	0.4
147.04413	2.5
147.08009	0.4
148.04727	0.3
149.05951	0.4
151.07507	1.7
152.06949	0.3
156.18417	0.3
157.06451	0.6
159.08006	0.9
161.05988	0.8
163.03908	0.8
163.07527	3.8
166.04973	2.1
167.07037	4.4
168.07376	1.7
171.07993	1.6
173.06007	0.3
174.06705	1.1
175.03966	0.3
175.07484	1.3
177.05429	0.8
179.06966	0.4
179.65718	0.3
185.09618	0.3
188.08252	0.6
189.09068	1.6
191.10629	0.7
193.08578	0.4
196.06015	0.5
202.04811	0.3
203.10664	2.7
207.06497	0.9
208.06119	0.6
213.09000	0.3
226.07022	2.3
229.08606	0.4
232.06036	1.9
250.07074	14.5
255.06528	0.4
256.06686	0.3
268.08124	66.5
269.08255	0.7
281.28339	0.3
286.09161	6.4
290.16101	0.4
295.13205	1.2
323.12482	0.5
327.15787	1.7
405.74637	0.4
435.18362	0.5
463.22006	0.3
476.18845	0.4
517.48932	0.4
612.24420	2.7
630.25317	16.0
631.25903	0.4
631.43677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97247	0.6
55.05448	0.5
58.06540	0.8
62.16084	0.5
67.05408	0.7
69.06995	0.6
70.08185	0.5
72.35036	0.6
81.05027	0.5
81.06977	0.9
91.05389	0.6
91.86841	0.6
92.91928	0.5
93.06960	1.0
95.08526	0.9
105.06911	0.7
107.08487	1.2
119.08458	0.8
121.10078	0.9
131.08447	0.6
136.77029	0.7
145.10086	1.0
149.53270	0.7
157.69765	0.5
159.11554	0.7
173.13133	0.7
228.30260	0.5
325.63290	0.6
410.13232	0.9
411.14297	1.0
424.15204	1.2
425.15851	3.8
426.16849	2.6
427.17572	2.7
437.16574	0.6
439.17877	8.2
440.18369	7.8
441.18985	1.2
442.19736	1.4
452.13983	3.0
453.15433	27.4
454.19946	3.6
455.20795	34.1
456.20950	2.2
458.20001	0.7
466.15753	1.1
467.16949	27.4
468.17599	8.5
470.15909	0.9
471.16031	0.8
481.18616	5.3
482.19263	23.4
483.20532	3.0
484.17432	0.9
485.18082	1.3
486.18646	0.8
494.18292	1.5
495.20480	0.8
500.19702	0.8
508.19418	1.3
509.21365	0.8
513.20959	0.9
514.22113	1.4
523.21808	1.2
526.22168	0.9
527.22888	0.6
528.23975	3.0
541.25061	3.4
553.22205	1.3
569.23932	100.0
570.24292	3.5
597.23547	1.6
600.22174	2.0
601.26563	3.5
629.25970	91.4
630.26166	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	629.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13870	0.1
53.03928	0.3
55.01873	0.2
55.05504	0.3
57.46178	0.1
59.65726	0.1
65.03946	0.2
66.04691	0.2
67.01897	0.1
67.05490	0.3
69.03426	0.5
69.07059	0.2
69.92571	0.3
69.92995	0.4
70.06573	0.3
71.04973	0.3
72.08137	0.4
77.03909	0.1
78.04697	1.6
79.05482	1.2
81.03419	0.8
81.07039	0.5
83.04975	0.2
85.02895	0.8
85.06551	0.2
89.24976	0.1
91.05470	1.1
93.03342	0.2
93.07047	0.6
94.04167	0.2
95.04971	0.7
95.08606	0.3
97.02865	0.4
98.09687	0.2
99.04440	0.4
103.03944	0.2
103.05441	0.5
105.03365	0.2
105.07015	1.2
106.02929	0.2
106.04154	0.7
107.04952	1.7
107.08560	0.3
109.02862	0.7
109.06509	0.3
109.10172	0.2
110.02394	0.1
111.04496	0.1
115.05428	0.5
117.07018	0.4
119.04958	0.7
119.08564	0.3
120.08094	0.1
121.02856	0.2
121.06509	0.7
121.10107	0.2
122.03632	0.3
123.04420	4.3
123.08102	0.2
124.03944	0.4
124.05216	1.8
125.05980	0.2
127.03896	1.3
128.06139	0.1
129.06973	0.2
131.04895	0.2
131.08557	0.2
133.06448	1.2
133.10132	0.3
134.03577	0.3
135.04375	0.4
135.08124	0.1
137.02338	0.2
137.05946	0.7
137.09586	0.2
141.07010	0.2
145.05013	0.1
145.06465	0.8
145.07458	0.2
147.04404	1.2
148.04770	0.3
149.05946	0.8
151.03882	0.8
151.07529	0.5
152.04689	1.4
153.05428	0.2
156.05576	0.1
157.06436	0.3
159.08051	0.2
159.11740	0.2
161.05980	1.3
161.14491	0.1
165.05507	0.1
165.97844	0.1
166.06204	0.2
167.07025	100.0
168.07362	1.3
173.05989	1.1
175.03880	0.2
175.07472	0.1
177.05426	0.3
179.06987	0.4
181.04996	0.3
181.08568	1.2
185.05826	0.1
187.07533	0.3
190.06252	0.7
191.08185	0.4
191.10626	0.2
193.08588	5.1
195.06502	0.2
199.07590	0.1
203.06897	0.1
205.08568	1.7
207.06488	0.4
207.09845	0.1
208.05093	0.1
209.08060	0.2
211.09645	4.1
217.08646	0.9
219.10225	0.6
221.08189	0.2
235.09625	0.5
247.09709	0.3
249.11237	0.2
255.06419	0.7
265.10635	0.2
269.08081	0.3
285.07587	0.2
295.06107	0.2
295.10452	0.1
307.09525	0.2
307.13098	0.3
315.08557	0.9
325.10419	0.1
330.10953	1.4
331.11765	0.2
339.12051	0.2
343.11679	0.5
351.12134	0.3
357.13312	0.4
369.13400	0.3
371.15436	0.2
379.11560	0.2
383.14816	0.8
401.16019	0.7
431.16516	0.3
449.16165	0.3
467.16876	0.1
593.23352	0.2
599.24231	0.2
611.24615	0.8
612.20276	0.8
629.34479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31213	0.2
53.03930	0.4
54.80653	0.2
55.01852	0.4
55.05478	0.6
57.03426	0.4
59.04984	0.4
61.02908	0.2
61.30525	0.1
63.05373	0.1
65.03918	0.3
67.05473	0.7
69.03424	1.3
69.07036	0.6
70.06554	0.3
70.25846	0.5
71.04975	0.2
72.08126	0.3
73.02892	0.2
78.04702	1.4
79.05106	0.2
79.05489	1.6
81.03409	1.0
81.07051	1.4
83.01305	0.1
83.04966	0.6
83.08598	0.2
84.04424	0.2
84.08125	0.3
85.02897	1.6
85.06519	0.4
85.07646	0.2
91.05470	1.0
92.05758	0.2
93.07037	1.2
95.04947	1.3
95.08617	1.0
96.05743	0.2
97.02874	1.3
97.06506	0.5
98.21421	0.2
99.04436	0.4
103.05440	0.7
105.03360	0.2
105.07019	1.7
106.04139	0.9
107.04963	2.2
107.08603	0.8
109.02859	0.9
109.06489	0.5
109.10135	0.7
111.04398	0.4
115.05424	0.4
117.07016	0.5
119.04942	0.3
119.08560	0.5
121.02846	0.3
121.06514	0.8
121.10110	0.6
122.03690	0.3
123.04421	4.6
123.08053	0.4
123.11656	0.3
124.05219	1.8
125.05994	0.4
125.09617	0.3
127.03909	1.9
128.06232	0.2
129.06969	0.4
131.04922	0.3
131.08527	0.5
133.06444	0.9
133.10144	0.7
134.03612	0.5
135.04387	0.2
135.08057	0.3
135.11664	0.3
137.02315	0.5
137.05966	1.0
137.09575	0.5
138.05458	0.2
143.08583	0.2
145.02855	0.4
145.04926	0.3
145.06464	0.9
145.10085	0.4
147.04385	1.2
147.08022	0.2
147.11655	0.3
148.04776	0.3
149.05954	0.9
149.13245	0.2
151.03912	1.1
151.04933	0.2
151.07512	0.6
151.11235	0.2
152.04651	1.4
153.05421	0.5
156.05664	0.3
156.69353	0.2
157.06459	0.2
157.10092	0.3
159.08072	0.5
159.11691	0.4
161.05963	1.4
161.13167	0.3
161.84584	0.2
163.03856	0.2
163.07494	0.2
163.11137	0.2
163.14815	0.2
165.05495	0.2
165.09056	0.2
165.12698	0.2
167.07024	100.0
168.07358	2.8
169.07599	0.2
173.05960	1.3
173.13248	0.3
175.07520	0.3
177.05482	0.6
177.09019	0.2
177.12674	0.2
179.07010	0.4
179.10704	0.3
181.04936	0.6
181.08568	1.2
181.12167	0.2
183.02922	0.2
187.07556	0.6
189.05409	0.2
189.09142	0.2
190.06252	0.5
191.07051	0.3
191.10661	0.2
193.08588	5.5
193.12256	0.2
195.02879	0.2
195.06419	0.2
199.07570	0.3
203.07030	0.3
203.10526	0.3
205.08566	2.4
205.10280	0.2
207.06517	0.4
209.08073	0.3
210.09006	0.2
211.09627	4.3
211.13066	0.2
213.05522	0.3
213.09070	0.2
217.08559	1.2
219.10152	0.7
219.17426	0.3
221.08195	0.2
224.11171	0.2
227.07018	0.2
235.09691	0.6
236.10429	0.2
247.09683	0.3
248.08701	0.2
254.05884	0.2
255.06525	5.0
255.09222	0.3
265.08398	0.2
265.10764	0.4
269.04431	0.2
269.08023	0.3
271.06021	0.2
271.09503	0.2
277.08679	0.2
282.08899	0.2
285.07578	0.5
290.16772	0.2
295.06027	0.3
307.09692	0.3
309.07617	0.2
310.04990	0.2
311.05667	0.2
313.07034	0.4
315.08603	1.0
322.04761	0.2
325.06949	1.0
326.07556	0.4
327.08392	0.2
327.94809	0.2
329.06607	0.3
330.10925	1.5
335.09207	0.6
337.07065	0.6
337.10736	0.2
341.06503	0.9
343.11743	0.3
346.08554	0.2
347.09399	0.2
351.08490	0.2
351.12268	0.2
353.10403	0.3
357.13284	0.3
361.06931	0.2
361.10709	0.4
365.10162	0.3
373.10892	0.2
377.10175	0.3
379.07690	0.3
379.11804	1.2
380.08679	0.2
381.09512	0.3
381.26160	0.2
383.14871	1.0
391.11786	2.1
393.09222	0.3
395.11191	1.7
395.29639	0.2
401.15854	0.6
403.15054	0.2
405.13406	0.2
407.15173	0.4
413.30692	0.2
421.16238	0.9
431.16180	0.3
431.32242	0.3
449.16031	1.2
449.32550	0.5
467.17157	3.1
541.17255	0.4
599.24762	0.3
611.25330	0.9
611.97968	0.2
629.22260	5.9
629.31427	0.5
630.22644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2236
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05524	0.4
67.05481	0.4
69.43424	0.4
69.88423	2.6
71.30994	0.4
76.88938	0.5
79.05482	0.5
81.07018	0.6
87.41807	0.4
91.05459	0.7
93.07052	0.7
95.08589	1.1
102.12470	0.5
105.06982	0.5
109.10153	0.5
121.10109	0.6
136.64246	0.4
136.74429	0.4
146.07114	0.4
152.55293	0.4
167.98547	0.4
284.60022	0.4
303.39432	0.4
350.92279	0.4
395.11411	0.6
396.12057	1.0
397.12888	1.7
398.13739	1.1
399.14578	1.7
400.15546	0.9
410.13736	2.1
411.14423	5.5
412.15256	3.9
413.16037	4.5
423.14703	1.5
424.10712	0.8
424.16217	2.4
425.16312	14.1
426.16891	10.4
427.17758	2.7
428.18634	4.2
437.12357	0.6
437.15823	0.5
438.12195	2.9
439.13556	18.8
440.13535	1.2
440.19049	7.0
441.19302	37.4
442.19797	2.3
451.18710	0.6
452.14178	3.2
453.15326	19.4
454.15759	6.2
455.16638	0.6
456.12872	0.5
456.18350	1.2
457.14581	0.9
466.16736	0.7
467.17142	26.3
468.17905	22.3
469.18738	12.4
470.19214	1.0
471.16177	2.4
472.17435	0.9
480.16977	1.4
481.14664	10.6
482.15811	2.5
482.21494	0.8
483.16415	1.2
484.21588	3.5
485.18185	1.9
486.18994	1.0
494.18250	1.2
495.17227	1.5
495.19431	1.5
496.17151	14.6
497.17050	2.2
498.19373	2.3
499.19067	1.4
500.20782	5.4
508.19458	0.8
509.18985	1.5
510.19431	0.8
511.19598	0.7
512.20978	3.1
513.21844	5.8
514.18646	0.6
514.22205	0.9
522.17578	0.5
523.19568	1.8
525.21655	0.7
526.18652	1.3
527.19177	0.6
528.19733	1.7
531.22504	0.8
537.18823	1.4
541.20868	45.3
542.20953	1.9
553.20984	1.4
554.17303	0.6
569.20270	100.0
570.20551	5.2
572.18744	0.7
573.23871	2.7
587.21082	1.3
597.19708	32.5
598.20319	1.1
600.22278	1.3
601.22900	15.0
615.20990	2.1
629.22272	98.4
630.22626	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	629.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38659	0.4
53.03910	1.6
55.01840	1.6
55.05478	1.8
57.03434	3.0
57.07044	0.5
59.04993	3.1
61.02919	2.5
61.92813	0.4
65.03916	0.5
67.05497	3.2
68.99760	0.6
69.03425	11.4
69.07027	1.8
70.04076	7.9
70.06564	1.0
71.01340	0.6
71.04972	1.1
71.62904	0.7
72.08111	1.3
73.02919	2.3
79.05487	3.0
81.03413	6.1
81.06641	0.4
81.07043	5.7
83.01323	0.5
83.04940	1.6
83.08590	0.9
84.08118	0.6
85.02901	18.7
85.06537	2.1
85.10164	0.4
87.00764	0.4
87.04413	1.9
91.03899	0.9
91.05466	2.7
91.06415	0.4
93.06531	0.5
93.07026	4.9
95.04986	1.9
95.08594	4.8
96.08869	0.4
97.02881	8.4
97.06484	1.2
99.04422	2.7
101.02347	1.0
103.03924	0.5
103.05434	0.7
105.03350	0.7
105.07012	2.9
107.04906	1.7
107.08612	2.5
107.09242	0.6
108.03516	0.4
109.02900	3.6
109.06480	1.5
109.10156	3.4
111.04435	0.4
111.08038	1.2
115.03888	0.8
115.05389	0.5
117.03414	0.5
117.06979	1.0
119.03371	1.7
119.04878	1.6
119.08568	2.0
121.06458	1.8
121.10125	3.0
123.04453	2.2
123.08020	1.2
123.11661	1.4
124.05129	0.7
125.05951	0.8
125.09604	1.0
127.03921	7.1
129.06934	0.7
131.04895	0.8
131.08505	1.1
133.06465	1.0
133.10117	1.9
134.03590	1.5
135.04315	0.7
135.08005	1.2
135.11655	1.5
137.05959	4.1
139.07494	1.6
139.11108	0.8
141.05443	0.4
143.08542	1.0
145.02808	0.6
145.04909	1.5
145.06496	0.9
145.10091	1.7
147.04399	6.9
147.08003	0.8
147.11641	1.7
148.04683	1.6
149.05945	1.4
149.09572	0.6
149.13260	0.7
151.03897	2.3
151.07504	2.6
151.11151	0.5
153.05455	3.5
157.06476	0.6
157.10027	0.5
159.04411	1.1
159.08011	0.9
159.11674	1.7
161.06053	0.9
161.13203	1.0
163.03880	1.0
163.06137	0.5
163.07526	1.0
163.11192	0.5
163.14790	0.6
165.05450	0.9
165.09056	0.9
165.12721	0.6
167.07036	40.0
168.07364	0.9
171.08102	0.4
171.11731	0.4
173.04460	0.9
173.05869	0.6
173.13222	0.8
175.03909	0.6
175.14775	0.9
177.05453	1.4
177.09052	0.6
179.10616	0.7
181.04970	0.9
181.08545	1.0
181.12149	2.0
187.07536	0.8
187.11177	0.6
187.14859	0.5
189.05469	0.8
189.09076	0.6
191.10628	0.6
193.08534	1.3
193.12245	1.2
195.13771	0.8
199.07530	0.9
203.10692	0.5
205.08679	0.7
205.12314	0.6
207.06523	0.5
207.10138	0.6
209.11629	0.7
211.09634	1.2
213.05412	1.8
215.07004	0.7
219.17400	0.5
227.07079	0.5
229.05025	0.5
230.05679	0.5
231.06433	0.9
236.12778	0.6
247.16718	0.5
252.12560	0.4
255.06534	1.3
262.09921	0.4
264.07776	1.2
264.33566	0.5
265.08554	1.0
267.06552	0.9
273.09067	0.7
279.09970	0.6
282.08856	0.5
283.06064	0.5
283.09695	0.7
285.07486	2.0
289.08310	0.4
290.09216	0.5
291.10162	0.9
293.07962	0.6
295.06177	0.4
301.08426	1.1
302.09476	0.4
303.09470	0.4
307.09518	0.8
309.07471	1.0
310.04611	2.1
312.05450	0.5
313.07285	0.5
315.08853	0.5
318.08887	1.8
321.07584	1.1
322.04865	0.7
323.09079	0.9
324.06277	0.6
325.06967	4.9
327.08594	0.7
329.08032	0.7
330.10876	0.6
331.09549	0.6
333.11050	2.0
334.08478	0.7
335.05487	0.6
335.09109	1.6
336.06235	1.3
337.06943	2.7
338.07712	0.8
339.08542	0.8
341.07205	0.6
341.11633	0.7
345.07553	0.6
345.11285	0.9
346.08325	4.1
347.09006	1.0
348.09860	1.8
349.07080	1.3
349.10773	1.0
350.02661	0.6
350.07755	0.6
350.11951	0.5
351.08640	3.2
351.12421	0.6
353.10449	0.5
355.09540	0.7
359.08981	0.9
361.06424	0.6
361.10715	9.6
362.07843	3.4
363.08304	2.2
363.12405	1.5
364.09378	5.2
365.10168	1.6
366.04129	1.4
367.04358	2.0
367.11789	1.1
368.03683	2.2
370.12073	0.5
373.10748	2.9
375.12363	0.7
376.09479	1.2
377.06348	0.5
377.10242	6.3
378.10666	1.2
379.11749	24.3
380.08807	3.7
381.09042	0.6
381.13495	4.2
387.12512	0.6
389.10107	1.3
389.14288	0.6
391.07510	0.5
391.11865	5.1
393.13391	15.6
395.11224	16.8
397.10736	0.8
398.11459	4.7
399.12195	0.8
401.10110	3.9
403.15240	1.2
407.11182	1.5
413.13791	7.5
413.30511	1.5
415.11951	1.3
416.12564	4.6
417.12964	0.6
419.11270	1.5
421.16516	1.5
431.14890	27.6
431.31638	5.0
432.15314	1.0
434.13559	2.8
437.11954	0.5
449.15933	100.0
449.32639	5.8
450.16336	2.2
467.16943	8.1
467.34085	3.6
473.16022	0.8
477.14029	0.5
491.17184	1.3
538.40137	0.4
539.14807	0.4
541.16956	4.6
555.18622	1.1
557.16541	5.5
585.19501	0.6
593.20355	2.0
611.21179	41.7
612.21472	1.6
629.22192	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	629.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01863	0.7
55.05504	0.2
55.10797	0.1
55.77492	0.1
57.03431	0.6
60.41669	0.1
61.02922	0.7
67.05481	0.5
68.99771	0.6
69.03426	4.8
69.07044	0.2
71.01325	0.2
71.04975	0.6
71.62067	0.2
72.08130	0.2
73.02908	0.9
79.05461	0.5
80.30279	0.1
81.03414	3.9
81.07040	0.5
83.01358	0.3
83.04972	0.2
83.08607	0.2
85.02901	6.9
87.00824	2.8
91.03941	0.2
91.05461	0.5
93.07044	0.7
95.04951	0.2
95.08587	0.3
97.02882	1.9
99.04452	1.5
101.02387	0.1
103.03927	0.5
105.01843	1.4
105.06982	0.3
107.04935	0.3
107.08545	0.2
109.02870	3.1
109.06538	0.1
109.10130	0.2
115.03905	0.1
117.01836	0.3
117.07012	0.2
119.08577	0.3
121.10170	0.2
127.03907	4.7
129.01799	0.6
129.06966	0.2
131.08543	0.2
133.10121	0.2
135.11668	0.3
143.08498	0.2
145.04958	1.1
145.06061	0.2
145.10107	0.5
147.02890	0.2
147.04416	0.2
151.03876	0.2
153.01837	0.2
157.10150	0.2
159.02870	1.5
159.11710	0.3
163.11179	0.2
167.06999	0.3
184.07440	0.2
185.13251	0.1
187.03871	0.1
191.03423	0.1
191.10553	0.1
201.05510	0.2
202.11653	0.2
208.03574	0.2
214.06308	0.2
215.06985	0.4
217.04919	0.4
219.06552	0.2
231.04897	0.6
235.06056	0.5
235.14516	0.1
250.08342	0.5
257.19083	0.2
264.11768	0.2
267.06317	0.2
273.07535	0.3
275.20239	0.3
276.20560	0.1
277.08585	0.3
281.08087	0.4
282.09042	0.1
283.15466	0.2
291.10263	0.3
293.08228	0.2
293.11664	0.2
295.05984	0.2
295.09637	0.6
296.06778	0.3
300.07162	0.2
301.16586	0.2
303.10184	0.2
305.08005	0.1
306.08752	0.3
307.05960	0.2
307.09732	0.1
309.07535	0.7
309.10968	0.3
311.06064	0.2
311.09097	0.9
312.06265	2.2
315.08667	0.2
319.09503	0.2
320.10477	0.2
321.10907	0.2
323.09085	1.9
324.06281	0.7
324.09723	0.2
325.07031	0.5
325.10611	0.3
327.08594	3.9
331.09647	0.4
333.07376	0.2
334.08392	0.6
335.09109	0.2
335.12756	0.2
336.06299	0.2
337.07047	0.9
337.10724	0.3
338.07816	0.7
338.11520	0.2
339.08572	1.6
339.12354	0.3
347.09335	0.4
348.09940	1.2
349.10571	1.1
351.08594	4.9
351.11960	0.2
352.09341	1.4
353.10159	0.7
353.13892	0.4
363.08255	0.3
363.12262	2.1
365.10037	0.7
366.10965	6.2
379.11700	0.5
381.13297	100.0
382.13553	1.3
405.13242	0.3
421.56921	0.1
423.14203	0.8
447.14606	0.2
468.82507	0.2
629.18066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01881	1.1
55.05511	0.7
57.03437	2.2
59.05011	0.4
61.02944	0.8
67.05180	0.3
67.05479	1.9
69.03425	11.3
69.03810	0.6
69.07059	0.8
69.96471	1.6
71.01347	7.3
71.04988	0.9
73.02904	1.8
79.05497	1.0
81.03408	7.4
81.03849	0.6
81.07063	1.4
85.02897	10.4
85.06510	0.4
86.09732	0.4
87.04474	0.8
89.02395	1.6
91.03921	0.4
91.05482	1.2
91.13244	0.3
93.07054	1.2
94.47536	0.3
95.04974	0.7
95.08619	1.5
97.02883	4.4
99.04444	2.1
101.02393	0.7
103.03913	0.6
105.03403	0.5
105.07051	1.2
107.04966	0.8
107.08593	0.9
109.02863	4.9
109.10154	1.0
111.04501	0.4
111.16628	0.4
117.06956	0.5
119.04958	0.4
119.08590	0.6
121.06488	0.5
121.10178	0.6
123.04410	2.0
127.03899	8.5
127.04779	0.6
127.30119	0.3
129.07097	0.4
131.03409	1.0
131.04927	0.4
131.08569	0.7
133.06467	0.4
133.10139	0.6
135.04424	0.7
135.11769	0.4
137.02350	1.2
137.05925	0.4
143.03424	0.7
143.08568	0.4
145.04959	1.6
147.04420	1.4
149.06003	0.5
151.03914	0.7
151.07521	1.7
153.05482	1.2
155.08574	0.5
156.37643	0.4
159.04445	0.4
159.08060	0.4
161.02348	0.6
161.06000	0.5
161.09665	0.5
167.07045	6.2
167.08423	0.7
171.08112	0.3
171.11700	0.6
173.04494	0.4
175.07526	0.8
179.07170	0.4
180.18806	0.4
181.08571	0.3
191.03323	0.3
193.08664	0.5
195.08057	0.5
197.05962	0.4
199.07509	0.6
203.03444	0.7
213.05533	0.6
213.09084	0.4
215.05426	0.6
217.05042	0.4
223.07587	0.6
225.05627	0.4
227.07042	1.5
231.11678	0.5
245.08011	0.7
255.06537	1.2
271.05942	0.3
281.08051	0.7
287.10483	0.7
290.09439	0.8
291.06668	0.6
295.05890	0.8
297.07559	0.6
299.05649	0.7
305.11752	0.7
307.05936	0.4
309.07657	2.7
311.05502	0.6
313.07031	0.7
315.10123	0.6
318.08917	0.6
319.09653	0.8
321.07556	1.1
322.08127	0.5
323.05435	0.5
323.09018	0.8
323.12653	0.5
324.06067	0.6
325.07019	18.7
327.08997	0.4
333.07401	0.6
333.10962	0.8
335.09073	0.8
336.06244	0.5
336.09814	0.4
337.07101	4.7
337.10782	0.9
339.04865	0.7
339.08337	0.6
343.09406	0.5
346.08307	0.6
347.09018	0.6
349.06879	2.0
349.10806	0.6
350.07748	1.9
351.08618	2.1
351.12329	1.1
360.09918	0.5
361.10663	11.5
363.08432	1.8
363.12427	0.6
364.09406	3.0
365.10144	0.8
367.07416	0.4
367.11746	0.5
378.11066	1.2
379.11737	48.7
380.12042	1.2
381.09323	0.6
381.13550	0.8
395.11230	0.7
397.12799	100.0
398.13110	1.7
403.11465	0.5
405.13483	0.4
407.11185	0.4
421.12598	1.6
431.31680	0.7
439.13806	1.3
443.40314	0.3
449.15857	2.7
449.32257	0.4
467.16891	1.5
541.16632	0.9
559.18066	40.7
560.18188	0.8
611.19330	0.7
628.33636	0.4
629.18427	13.4
629.34686	0.7
630.18799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01871	1.4
57.03428	2.0
60.79596	0.3
61.02925	1.3
67.05457	0.9
68.99754	0.8
69.03424	10.7
71.01325	0.5
71.04993	1.2
73.02911	2.2
79.05459	0.4
81.03416	7.7
81.07029	0.4
83.01304	0.3
85.02901	12.4
87.00825	3.2
87.04425	0.6
91.05411	0.7
93.06987	0.4
93.36172	0.3
95.01252	0.2
95.08555	0.4
97.02888	5.0
98.20709	0.7
99.04443	2.4
101.02341	0.4
103.03926	1.4
105.01813	1.2
105.06999	0.7
107.04942	1.4
109.02879	5.9
111.04395	0.3
115.03903	0.4
117.01846	0.4
119.04879	0.4
119.08498	0.3
121.02879	2.1
121.10087	0.4
123.04373	0.4
127.03908	7.7
129.01784	0.8
131.04912	0.6
131.08490	0.4
133.02829	0.5
135.04385	2.3
143.08524	0.8
145.04991	1.4
145.06461	0.4
145.10129	0.3
147.04375	0.5
149.05951	0.3
159.02824	1.1
159.04263	0.6
159.07994	0.5
163.03839	0.3
165.05536	0.2
167.07051	1.3
167.08371	0.4
171.08005	0.9
173.05934	0.4
173.09608	0.4
177.05362	0.3
183.08066	0.6
184.69096	0.3
187.06046	1.2
188.25262	0.3
195.07922	0.3
199.07497	0.8
201.09044	1.2
203.03236	0.4
203.06973	1.1
213.05470	0.4
217.05064	0.3
221.09529	0.4
223.07504	0.5
227.07024	3.6
231.04903	0.3
231.08191	0.3
245.07971	0.5
249.09000	0.3
253.08536	0.6
255.06543	1.3
265.08499	0.8
267.06430	0.5
274.09802	0.7
281.08078	0.8
283.05981	0.7
289.12222	0.5
291.06650	0.4
291.10129	0.3
293.08054	2.8
295.06296	0.5
295.09750	0.7
297.07565	1.9
302.09424	0.5
303.06232	0.3
305.08078	0.7
306.08801	0.5
307.06116	0.5
307.09653	0.5
307.13281	0.5
309.07544	9.3
310.04730	0.3
317.08231	0.3
317.11835	0.8
319.06079	0.6
319.09668	1.4
320.06708	0.5
320.10052	0.3
321.07605	4.5
321.11258	0.7
323.09027	0.3
325.07089	1.1
327.10196	0.5
329.08206	0.4
331.09531	0.9
333.07617	3.1
333.11166	0.3
334.08273	1.7
334.11945	0.6
335.09030	1.9
335.12784	1.5
337.06934	0.5
345.07034	0.5
345.11200	7.0
345.15268	0.5
346.08038	0.3
347.09131	3.9
348.09918	2.9
351.08554	0.5
361.10754	0.8
362.11560	0.7
363.12238	100.0
364.12671	1.0
377.10059	0.8
379.11777	1.1
381.13309	55.7
382.13672	1.0
387.12234	0.9
391.11801	0.7
393.13489	1.8
405.13290	6.0
416.12103	0.3
417.13220	0.6
421.16327	0.4
423.14355	0.9
429.13278	0.5
447.14716	0.3
449.15884	2.1
449.21442	0.3
449.32645	0.8
467.17047	0.9
507.16449	0.4
525.17444	1.8
543.18597	13.5
544.18512	0.4
549.17615	0.3
567.18591	2.9
585.19678	7.4
611.17328	8.4
629.18585	49.3
630.19128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01860	1.1
57.03429	1.8
61.02924	1.4
67.05460	0.6
68.99780	1.2
69.03419	10.1
69.07030	0.2
71.01306	0.4
71.04992	1.1
71.06763	0.3
71.07096	0.2
73.02911	2.0
79.05460	0.2
81.03410	8.0
81.07001	0.3
83.01332	0.2
83.04939	0.2
85.02895	14.6
87.00817	4.6
87.04409	0.5
91.03905	0.2
91.05458	0.3
93.07034	0.2
93.68719	0.2
95.04990	0.2
97.02882	5.1
99.04444	2.6
101.02348	0.3
103.03922	1.3
105.01297	0.2
105.01863	2.0
105.03345	0.3
105.06976	0.2
107.04912	0.7
109.02867	6.5
115.03885	0.4
116.49113	0.1
117.01770	0.4
119.04892	0.6
121.02870	1.3
123.04353	0.6
123.08035	0.2
127.03902	10.1
129.01833	1.4
129.06918	0.2
131.04860	0.6
131.08508	0.2
135.04330	0.2
145.04930	2.2
145.06468	0.3
145.10046	0.2
147.02827	0.6
147.04387	0.3
149.05966	0.3
151.07446	0.2
155.03415	0.2
155.08459	0.2
159.02887	1.7
159.08052	0.2
165.10701	0.1
167.03333	0.2
167.07043	1.3
167.08368	0.3
171.02864	0.3
171.04297	0.2
171.08000	0.3
173.05984	0.2
175.03905	0.2
183.07928	0.3
187.03818	0.2
187.05974	0.7
189.03860	0.4
191.03305	0.2
193.08434	0.2
195.07979	0.5
197.05835	0.2
199.07507	0.5
201.09076	0.2
203.03282	0.4
211.07462	0.3
213.03854	0.5
213.05560	0.3
223.07498	0.3
227.06956	0.5
228.09279	0.2
231.04988	1.0
231.08058	0.3
237.09030	0.4
243.11549	0.2
245.09802	0.2
246.10347	0.4
249.09261	0.2
255.06448	0.5
256.08774	0.3
265.08572	0.5
267.06430	0.3
271.11218	0.3
271.16956	0.2
274.09805	0.5
279.06314	0.2
280.07309	0.2
281.07831	0.4
283.05939	0.5
284.08356	0.2
289.12231	0.4
292.07037	0.2
293.08063	2.4
295.06152	0.2
296.06787	0.3
297.07513	0.6
299.10553	0.2
302.09235	0.5
303.10251	0.5
305.08063	0.6
306.08771	0.3
307.06100	0.3
307.09549	0.5
307.12967	0.2
308.06598	0.2
309.07523	15.7
310.07697	0.3
317.08231	0.2
317.11633	0.7
319.09601	0.6
320.06787	0.3
321.07581	4.4
321.11142	0.7
323.09143	0.4
327.09546	0.3
331.09296	0.2
333.07532	1.9
333.11404	0.3
334.08325	1.7
334.11813	0.2
335.09088	2.2
335.12759	0.5
339.08640	0.3
340.22046	0.2
345.11179	9.3
346.11673	0.3
347.09088	1.2
348.09915	2.5
349.10443	0.2
351.08478	1.1
361.10715	0.2
362.11411	0.4
363.12219	39.6
364.08789	0.2
364.12781	0.8
365.10211	0.4
366.10721	0.5
369.11179	0.2
377.10233	0.3
379.11731	0.3
380.12595	0.3
381.13272	100.0
382.13635	2.8
387.12091	0.6
405.13293	3.1
423.14374	2.3
429.13474	0.3
435.14621	0.2
447.14215	0.6
449.15985	0.4
467.16605	0.3
489.15411	0.3
507.16428	0.3
525.17737	0.2
543.18573	6.7
567.18738	0.2
585.19586	4.9
586.19971	0.2
611.17188	2.0
629.18549	23.9
630.19299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.3
55.01834	0.8
57.03422	1.3
57.07296	0.2
61.02878	0.8
67.05459	1.1
67.51823	0.2
68.99761	0.7
69.03425	7.6
69.07048	0.4
70.06537	0.3
71.01311	0.7
71.04939	0.8
71.14271	0.4
71.14618	0.5
73.02915	1.2
79.05450	0.7
81.03411	5.2
81.07052	1.3
83.01331	0.3
83.04964	0.4
83.08574	0.3
85.02898	8.3
85.06522	0.4
87.00813	1.6
87.04420	0.7
90.73786	0.2
91.05442	0.6
93.06992	0.8
95.04924	0.3
95.08597	1.2
97.02888	3.5
97.06497	0.3
99.03943	0.2
99.04459	1.9
100.03336	0.2
101.02351	0.4
103.03876	1.1
103.84695	0.2
105.01826	0.7
105.06982	0.9
107.04925	0.4
107.08535	0.7
108.93362	0.2
109.02876	3.9
109.06518	0.4
109.10140	0.4
111.31994	0.2
119.04842	0.3
119.08506	0.5
121.02824	0.4
121.06463	0.3
121.10091	0.5
123.04365	1.1
123.08016	0.3
127.03910	5.8
129.01778	0.5
129.06931	0.3
131.08498	0.3
133.06458	0.4
133.10092	0.6
134.03583	1.0
135.11598	0.3
137.05916	0.6
137.09554	0.2
145.04886	1.2
145.10207	0.3
147.04352	1.1
147.11652	0.3
148.04765	0.3
149.05956	0.5
151.07500	0.4
153.05415	0.5
157.10033	0.3
159.02863	0.5
159.11703	0.2
161.13313	0.3
163.03918	0.3
163.07489	0.3
167.07028	3.6
175.03918	0.3
175.07527	0.3
177.05400	0.3
187.05977	0.4
187.07512	0.4
189.05368	0.3
189.08989	0.3
191.06981	0.4
193.08572	0.3
203.03307	0.3
211.07539	0.3
214.06250	0.4
215.06938	0.7
215.10626	0.4
217.05061	0.3
227.06831	0.3
235.05991	2.5
237.05360	0.5
250.08331	0.9
251.06908	0.4
254.05655	0.3
255.06520	1.3
258.31531	0.2
260.08023	0.4
265.04810	0.4
265.08487	0.3
267.06531	0.6
269.07965	0.3
273.82043	0.3
277.08521	0.8
279.06686	0.4
279.10211	0.4
281.04492	0.4
281.08014	0.6
282.05267	1.9
282.08365	0.4
282.12366	0.3
283.05978	0.3
291.06818	0.3
291.10175	0.9
292.10870	0.3
293.04739	0.3
293.07980	0.3
295.06036	0.7
295.09665	1.0
296.06760	0.5
297.07578	3.9
298.04645	1.1
299.05505	0.3
305.07922	0.5
306.08417	0.3
307.06375	0.4
307.09619	0.3
309.07507	4.2
309.11060	0.9
310.04648	0.9
310.12064	0.4
311.09134	0.6
312.06253	4.2
313.07050	2.0
314.07541	0.3
315.08463	0.4
319.09399	0.4
320.06702	0.3
320.10559	0.4
321.07596	0.7
321.11081	0.5
323.05658	0.4
323.08847	1.1
324.06244	2.0
325.07062	5.3
327.08572	11.5
328.08551	0.3
331.09546	0.8
333.11139	0.5
334.08206	0.6
335.09055	1.3
336.06213	0.8
337.07080	2.1
337.10709	0.5
338.07739	0.8
339.08572	2.2
339.12149	0.4
341.09735	0.6
345.11282	0.4
347.09143	0.9
348.09900	3.0
349.10635	1.6
350.11423	0.7
351.08582	8.0
351.12198	0.6
353.10071	0.8
361.10684	1.1
363.08148	0.4
363.12265	5.6
365.10257	1.8
366.10956	10.9
379.11664	2.4
381.13297	100.0
382.13580	2.2
388.18439	0.3
397.12796	4.1
405.13052	0.5
411.10571	1.4
413.30457	0.3
423.14447	1.9
431.31781	0.4
435.32745	0.3
449.16299	0.8
449.63934	0.2
467.16708	1.7
496.37967	0.3
543.18616	6.9
559.18115	2.1
585.19623	13.3
611.17419	2.8
629.18567	36.5
630.18774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
55.05498	1.1
67.05490	2.7
69.07061	1.2
69.36407	7.2
79.05486	7.4
81.07076	3.7
87.04474	4.8
88.44166	0.6
89.06025	34.2
91.05473	7.6
93.07036	4.4
95.04965	2.3
95.08600	2.3
99.33343	0.7
103.05457	4.0
105.07022	100.0
107.04962	1.5
107.07026	1.3
107.08599	1.3
109.10159	0.7
112.05809	0.6
117.07006	1.6
119.04936	1.8
119.08575	3.4
121.06499	22.2
121.10143	1.6
129.06982	1.5
130.08603	1.3
131.07019	1.0
131.08540	5.8
133.08592	26.8
133.10098	1.4
145.06471	0.8
145.10103	0.9
147.08032	19.6
149.09589	5.6
165.09143	2.8
177.11224	9.2
177.12646	0.9
181.10107	1.1
209.11731	1.9
221.13838	2.2
223.11208	1.9
225.12704	11.0
227.12758	0.8
229.19211	0.7
249.12752	1.5
251.14342	1.3
253.14462	1.5
267.13730	0.7
269.15405	4.6
271.15460	0.9
272.24799	0.7
272.28354	0.8
275.19989	1.2
276.20715	1.0
283.17572	1.0
313.18051	2.2
315.18082	1.4
335.25974	1.3
336.26297	1.2
350.24030	0.9
357.04071	0.7
359.20624	1.4
373.21518	3.4
403.23355	8.6
419.24307	1.2
425.10522	1.0
463.27011	1.2
507.29483	9.1
610.45288	1.8
611.35608	3.3
628.37592	0.9
628.46472	2.7
644.05072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.8
53.03917	1.0
55.05496	1.4
57.03437	0.9
57.07064	0.6
59.04985	0.5
64.69392	0.5
67.05498	3.2
69.07056	0.6
70.43223	0.9
70.43596	1.7
71.04984	1.5
72.98735	0.4
73.06544	0.8
79.05483	7.6
79.28191	0.5
80.05811	0.5
80.40115	0.4
81.03393	0.5
81.07059	4.5
83.08614	0.8
87.04470	4.6
89.06025	34.7
89.97176	0.5
91.04965	0.7
91.05480	7.6
93.07027	5.6
95.04963	3.3
95.08599	1.7
103.05455	5.3
105.07023	100.0
106.07370	0.6
107.04950	0.9
107.07052	2.2
107.08581	1.4
109.10140	0.8
117.07014	1.9
119.04928	1.9
119.08584	4.7
121.06499	19.7
121.10130	1.0
126.99529	0.4
129.06995	2.1
130.08630	1.5
131.07027	1.5
131.08559	6.0
132.05685	0.5
133.08598	29.2
133.10045	2.2
135.08066	0.6
143.08597	0.7
145.06387	0.9
145.10110	1.5
146.08119	0.6
147.08038	18.1
147.11719	1.0
149.09612	4.3
151.94638	0.4
157.10094	0.8
159.11703	1.1
165.09151	3.5
169.10167	0.6
173.13435	0.4
175.09659	1.0
177.11220	11.2
177.12598	0.4
181.10092	0.9
185.13304	0.9
191.10623	0.5
193.12262	0.5
209.11723	2.0
221.13956	1.2
223.11253	1.7
225.12741	12.7
225.14938	0.8
227.12738	0.8
239.14964	0.6
249.12817	0.9
251.14334	1.6
257.18964	0.6
269.00491	0.5
269.15347	4.8
271.15314	0.7
275.20059	1.2
276.20255	0.8
283.17645	0.8
301.20142	1.0
311.16321	0.7
313.17847	2.1
315.18005	1.8
349.23682	1.0
352.25351	0.4
359.20642	0.9
373.21533	3.9
403.23187	8.3
419.24316	0.7
463.26859	0.9
499.33780	0.6
507.29532	11.2
517.35419	2.1
532.03339	0.5
543.36322	0.5
562.21686	0.5
575.39178	1.0
610.45422	0.8
611.35870	3.5
628.35919	0.5
628.45935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45107	6.6
55.01868	13.5
55.05508	50.8
57.03430	20.9
59.60767	7.8
67.05504	97.8
69.07058	37.0
69.77026	7.2
70.82655	6.3
71.04976	11.3
71.64301	8.4
79.05491	100.0
81.07060	94.7
83.04960	27.9
83.08598	20.6
91.05486	78.4
93.07037	89.5
94.51772	7.5
95.04952	11.6
95.08591	80.5
97.06497	20.6
97.10137	14.5
105.07021	69.1
107.04902	14.3
107.08562	46.1
109.06498	8.0
109.10175	35.4
117.06989	27.5
119.08562	50.1
121.10166	44.1
123.11660	9.8
125.09630	10.9
129.06978	14.2
131.08549	44.1
133.10103	43.7
135.11710	16.1
143.08543	31.5
145.10100	45.7
147.11671	27.2
149.09605	32.9
149.13217	8.2
155.08482	10.2
157.10083	15.8
159.11662	31.0
161.13272	9.1
163.11174	6.9
163.14809	8.8
166.14627	8.8
171.11673	11.1
173.13237	13.8
175.14774	7.5
183.11685	16.3
185.13188	10.6
192.36441	8.3
195.11752	11.2
197.13315	10.5
199.14847	11.4
216.25377	9.4
219.17429	10.9
275.20056	81.0
325.22183	7.0
335.25964	62.9
349.23541	36.8
367.29025	8.6
463.23639	9.9
530.89923	7.7
555.39978	11.7
609.45129	91.3
627.46094	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01865	3.8
55.05504	11.5
56.13161	0.8
57.03437	5.9
57.07061	1.2
64.25569	0.8
65.03929	1.8
67.05501	24.9
69.07069	8.9
70.43196	1.3
70.43493	4.5
71.04992	1.7
71.08627	1.3
79.05494	23.0
81.03421	1.2
81.07053	24.7
83.04982	2.2
83.08611	3.4
85.06516	1.2
87.04453	1.8
89.06030	14.3
91.05466	15.0
93.07041	21.7
95.04948	6.1
95.08598	19.1
97.06548	5.4
97.10171	5.1
98.21386	1.4
99.08089	3.8
103.05462	3.3
105.07024	100.0
106.07381	1.6
107.04955	1.9
107.08586	12.9
109.06486	2.9
109.10149	7.7
113.09654	0.9
115.97861	0.9
117.07027	5.8
119.08577	12.2
121.06487	12.0
121.10118	8.7
123.11704	3.0
125.09660	2.0
129.07034	4.5
131.08549	13.4
133.08609	8.3
133.10123	9.3
135.11696	6.3
141.06967	2.4
143.08566	5.3
145.10124	12.8
147.08046	1.9
147.11676	8.0
149.09610	4.0
149.13268	3.0
155.08549	2.6
157.10110	6.4
159.11679	8.2
161.13237	2.6
163.11172	3.2
165.09132	3.8
169.10083	2.9
171.11676	5.3
173.13284	3.7
175.14867	2.1
177.11292	1.3
177.12691	1.3
181.10139	1.9
183.11720	4.1
185.13239	5.7
187.14841	2.7
195.11784	2.7
197.13240	4.0
199.14859	2.7
201.16362	2.2
207.11795	1.2
209.11575	1.4
209.13315	3.0
211.14824	1.4
213.16310	1.7
215.17796	1.4
219.17471	4.2
225.12721	2.6
227.12752	3.1
227.17883	1.6
229.19469	1.7
239.17909	2.3
241.19678	1.2
257.19022	3.8
259.20602	1.1
259.43234	1.0
261.22165	1.5
269.15326	1.3
275.20053	12.7
300.32471	1.2
315.18018	21.7
333.24094	1.9
335.25742	16.9
349.23666	7.7
367.29904	1.3
419.24307	10.4
515.37170	1.6
517.40100	2.8
529.38580	3.3
535.41364	4.0
555.40399	7.1
591.44482	1.4
609.45142	23.1
627.46161	29.9
627.56482	1.9
645.50977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.7
55.01873	18.7
55.05502	31.5
57.03435	24.1
57.07044	4.5
59.14818	3.7
65.03954	4.2
67.05499	89.3
69.07058	37.8
71.04967	6.3
71.08578	4.5
71.62859	3.4
71.63290	4.8
79.05489	63.7
79.93297	3.4
81.03386	5.7
81.07050	88.8
83.04954	8.6
83.08612	21.5
88.74611	4.3
91.05472	65.2
93.07037	83.9
95.04964	13.0
95.08604	69.7
97.06554	18.3
97.10165	15.5
99.08078	7.7
99.55235	4.1
105.07027	65.6
107.04952	17.0
107.08590	53.5
109.06508	8.6
109.10135	32.7
111.08071	4.1
113.09650	5.2
117.06985	23.1
119.08576	51.0
121.10132	29.6
123.08065	6.0
123.11684	10.6
125.09660	9.8
129.07005	12.7
131.08568	34.1
133.06479	4.3
133.10124	35.2
135.11685	18.7
137.09657	4.4
137.13228	4.0
143.08540	15.0
145.10109	41.6
147.11682	26.1
149.09625	18.8
149.13252	7.5
155.08575	7.7
157.10091	22.3
159.11681	27.7
161.09625	4.2
161.13251	16.9
163.11157	7.9
163.23708	3.4
169.10121	8.7
171.11691	16.0
173.13257	16.0
175.14877	5.9
176.01451	3.4
183.11670	14.8
185.13274	17.6
187.14815	9.8
195.11682	8.7
197.13205	7.7
199.14903	8.5
201.16438	4.5
207.11662	3.9
211.14839	7.1
213.16313	5.7
215.18242	4.4
219.17484	7.1
227.12816	5.0
229.19464	4.7
234.93066	4.4
237.16327	4.3
253.94922	3.7
257.18933	12.9
259.20599	11.3
261.22208	6.9
275.20020	53.7
281.19006	3.8
288.05020	4.4
293.21109	7.4
335.25754	49.2
349.23685	27.6
445.00870	4.1
498.79425	4.4
515.37103	5.3
517.40656	7.9
529.38812	15.3
535.41333	11.2
555.40387	21.7
609.45105	90.1
627.46100	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	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92681	1.5
52.97984	1.5
53.03935	4.3
55.01873	10.3
55.05258	2.3
55.05506	27.0
57.03181	2.2
57.03436	20.9
57.07075	3.9
65.03928	3.8
67.05501	72.6
69.03410	2.2
69.06711	2.6
69.07063	27.1
69.32958	20.2
71.04984	3.5
75.53320	1.5
79.05487	51.9
79.05953	2.8
81.06570	3.4
81.07053	63.9
83.04974	3.7
83.08615	21.0
85.06538	6.5
91.05475	44.2
93.07034	61.8
95.04955	10.7
95.08600	61.4
97.06515	17.6
97.10165	13.2
99.08116	8.3
103.05468	2.1
105.07026	44.8
107.04951	3.7
107.08585	42.1
109.06483	8.0
109.10158	32.2
111.08083	5.6
111.11699	2.3
113.09666	4.7
117.07014	22.9
119.08571	40.1
121.06499	2.3
121.10140	30.6
123.08071	5.8
123.11718	8.7
125.09630	6.9
128.06206	2.8
129.05559	1.6
129.06976	11.7
131.08554	29.3
133.10120	35.4
135.07988	3.7
135.11673	17.3
137.09619	3.4
137.25667	1.6
139.11172	2.8
141.07053	1.9
143.08569	18.5
145.10112	37.1
147.11664	25.4
149.09631	15.7
149.13257	7.7
151.11227	2.3
155.08519	8.9
156.09329	2.3
157.10103	14.5
159.11693	27.4
161.13264	13.4
163.11205	4.7
163.14804	3.9
165.06911	1.9
165.12721	1.9
167.08589	2.5
169.10056	12.0
170.10992	2.2
171.11665	15.3
173.11873	3.3
173.13229	20.9
175.11115	2.0
175.14857	8.5
179.14278	1.8
181.10138	4.1
183.11659	10.8
185.13242	16.3
187.14844	7.9
189.11147	3.0
189.12775	2.4
189.16394	2.3
191.14281	2.1
195.11717	6.3
197.13251	8.0
199.14864	7.7
201.16435	5.0
203.14354	4.3
205.15813	2.2
209.13251	5.5
211.14845	5.4
213.16397	5.2
217.19524	2.6
219.17491	6.9
223.14789	2.7
225.16374	5.3
227.12833	4.5
227.18044	4.2
229.19493	3.1
235.20604	5.2
237.16524	2.1
239.17969	4.6
241.19633	2.4
243.21140	2.5
253.21649	4.1
257.19058	7.8
259.20593	5.1
261.22119	4.8
275.20035	44.5
277.21692	5.0
293.21127	5.0
299.23499	2.1
303.23447	1.9
315.23184	2.5
327.00180	1.8
329.33252	1.8
331.22836	2.4
333.24271	5.8
335.25809	44.0
335.29807	2.2
339.29330	2.4
349.23657	21.5
351.25644	2.7
355.26266	2.6
395.29230	2.3
395.56448	1.9
423.54553	1.8
501.35779	4.1
505.35318	2.5
513.39923	2.4
515.37250	3.4
517.40186	7.6
529.38495	4.9
535.41498	10.0
553.42365	6.4
555.40381	17.8
591.43793	2.6
597.49005	2.2
609.45087	70.7
627.46112	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	627.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01867	0.2
55.05502	0.4
55.74496	0.1
56.22062	0.1
57.03429	0.2
57.07080	0.2
57.66287	0.1
58.92923	0.1
61.02919	0.3
65.03941	0.1
65.28421	0.1
67.01847	1.2
67.05480	0.7
69.03419	0.6
69.07053	0.5
70.29067	0.5
71.04986	0.1
72.08144	0.2
73.02907	0.1
79.05488	0.3
81.03415	0.4
81.07055	1.2
83.04963	0.3
83.08602	0.4
85.02413	0.2
85.02902	2.5
89.22942	0.1
91.03953	0.2
91.05467	1.1
93.07039	5.0
95.04974	0.6
95.08600	1.0
97.02885	0.7
97.06488	0.2
97.10145	0.3
99.04443	0.2
99.08089	0.1
105.07021	0.3
107.08582	0.3
109.02861	0.3
109.06489	0.1
109.10168	0.7
111.08096	0.5
111.11662	0.2
121.06492	2.0
121.10123	0.3
123.04404	0.3
123.11724	0.5
127.03902	0.6
133.10114	0.2
137.05963	0.3
137.13210	0.1
138.06789	0.2
139.07527	4.3
139.08606	0.2
145.04994	0.1
147.04373	0.4
149.05968	5.3
151.07521	1.4
153.05434	0.2
155.06998	0.2
166.06215	0.6
167.07030	100.0
168.07343	0.4
175.07484	0.2
177.09041	0.2
181.08591	0.2
183.17490	0.1
189.09050	0.1
191.10681	0.4
195.08017	0.3
203.10692	0.3
205.12280	0.2
207.10152	0.2
241.21600	0.2
265.08722	0.1
268.67935	0.1
283.06210	0.1
293.28351	0.7
306.39505	0.1
309.07462	0.7
310.04688	0.1
311.29446	0.2
325.06961	0.2
346.08163	0.2
361.10727	0.5
364.09317	0.3
365.09854	0.2
379.11768	1.2
411.15109	0.1
411.32596	0.4
429.33594	1.5
447.34775	2.8
455.61749	0.1
465.35742	10.3
489.13623	0.2
532.63855	0.1
583.17426	0.2
609.23737	0.2
627.16602	0.4
627.24579	0.3
650.60602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96426	7.2
56.96743	4.4
70.15614	1.1
71.95099	1.1
71.95549	0.4
72.95925	0.4
74.97453	0.8
79.05358	0.2
81.06935	0.4
83.08475	0.2
84.95847	0.9
87.68539	0.2
91.05355	0.5
92.98529	0.3
93.06915	0.3
95.08486	0.4
95.09064	0.2
97.96722	0.5
105.06884	0.2
107.08436	0.3
110.97425	0.9
115.97733	0.5
116.00051	0.2
116.98445	0.4
119.08398	0.4
123.01052	0.4
128.98409	2.4
133.98657	0.8
137.02576	0.3
141.02046	0.5
146.99442	7.5
147.04228	0.3
151.99902	0.4
155.03609	0.6
161.01215	1.3
161.04698	0.4
165.00725	2.6
167.06877	0.3
169.05293	0.5
170.01062	0.9
171.03162	0.5
173.04732	0.3
175.02681	0.5
179.02054	1.0
179.03520	0.3
179.05681	0.3
183.06790	0.3
189.04274	2.0
190.04988	0.3
191.05840	0.3
193.03693	0.5
195.06940	0.2
197.08278	0.2
203.05919	1.2
208.06035	0.4
209.04671	0.3
209.08466	0.3
213.07846	0.3
217.07317	0.6
223.08357	0.4
225.07994	0.5
227.09390	0.7
231.08765	0.4
237.09976	0.3
239.09338	0.3
241.10965	1.0
243.08905	0.3
245.10480	0.9
249.07822	0.3
252.10190	0.4
256.09744	0.4
259.12064	0.9
263.09518	2.1
264.10202	0.5
264.12781	0.3
265.11053	0.7
270.11169	0.4
277.10962	0.8
281.10434	0.6
282.11224	0.5
283.12167	0.3
286.10916	0.3
289.11179	0.4
295.11969	0.2
303.12720	1.4
313.14603	0.5
315.16269	33.0
316.16556	0.3
317.14172	0.3
321.13644	0.6
326.14188	0.4
331.15704	1.9
333.17334	100.0
334.17676	1.3
349.16727	0.3
351.18402	25.1
352.18909	0.3
354.17188	0.3
356.18942	20.4
357.19223	1.0
369.19510	0.4
374.20013	10.0
375.20245	0.4
394.25607	0.3
397.21701	0.9
426.26871	0.2
446.68637	0.2
591.37585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01876	2.0
55.05516	5.2
57.03450	1.8
57.48805	0.8
65.03935	0.9
67.05506	12.4
69.03435	0.9
69.07070	4.7
71.04977	1.4
71.65297	1.4
77.03923	1.1
79.05495	14.1
81.03403	1.0
81.07057	13.4
83.08599	3.6
87.04465	2.5
89.06033	13.6
91.05477	8.8
93.07053	12.8
95.04962	4.0
95.08124	1.0
95.08607	11.2
97.06506	2.9
97.10166	2.1
103.05460	3.5
103.06171	0.9
105.07029	100.0
106.07355	1.1
107.04940	2.4
107.08590	9.2
109.06496	1.3
109.10131	4.4
117.07016	3.6
119.08568	5.7
121.06500	10.8
121.10152	6.0
123.11666	1.3
125.09634	1.7
129.06985	2.6
131.08586	6.2
133.08601	12.6
133.10071	5.7
135.08069	1.4
135.11670	2.8
143.08539	1.5
145.10136	5.6
147.08025	1.2
147.11671	3.6
149.09595	3.2
149.13257	1.5
157.10088	2.0
159.11699	3.6
161.13313	2.1
163.11282	1.0
165.09085	4.1
169.10124	1.3
171.11621	2.2
173.13249	1.7
175.14848	1.8
177.11261	1.4
185.13284	1.3
189.11212	1.6
195.11835	1.1
197.13326	1.8
199.14885	1.2
209.11694	2.6
209.13383	1.6
221.13286	1.0
225.12685	1.2
227.12785	3.4
251.14265	2.1
257.18948	1.6
261.22034	1.0
269.15353	3.7
271.15387	1.8
275.20029	10.1
315.18018	32.4
329.18710	1.3
335.25882	11.4
349.23752	3.9
385.30170	1.0
419.24304	14.3
529.38696	3.5
535.40948	1.4
553.42371	1.3
609.45184	14.0
627.46075	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	627.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
51.02369	0.5
53.03930	1.1
55.01860	1.3
55.05509	3.1
57.03444	1.5
57.07059	0.4
59.04989	0.3
63.03796	0.3
65.03949	0.3
67.05499	5.3
69.07059	2.3
69.96073	2.0
71.04977	0.3
73.06541	0.4
76.99403	0.3
77.03925	0.6
79.05051	0.6
79.05489	8.6
81.07053	7.0
83.04974	0.5
83.08617	1.3
85.06551	0.4
87.04472	2.7
89.06029	15.9
90.54896	0.3
91.05476	5.7
93.07039	7.8
95.04971	3.6
95.08601	4.8
97.06530	1.3
97.10168	1.3
101.56869	0.3
103.05460	4.1
105.07025	100.0
106.07374	0.6
107.04946	1.0
107.07064	0.8
107.08588	4.2
109.06527	1.0
109.10134	2.4
111.08057	0.4
117.07006	2.1
118.40990	0.3
119.04930	0.8
119.08565	3.4
121.06496	12.1
121.10129	2.0
123.11752	0.8
125.09591	0.8
129.06992	1.5
130.08640	1.0
131.07042	0.8
131.08560	3.9
133.06496	0.5
133.08600	11.1
133.10083	3.0
135.08061	0.5
135.11671	1.4
141.06976	0.5
143.08594	1.5
145.10121	2.4
147.08054	1.4
147.11699	2.0
149.09637	2.0
149.13246	1.0
151.11172	0.3
155.08607	0.8
157.10147	1.2
159.11674	2.1
161.13249	0.9
163.11140	0.5
165.09100	4.0
166.07820	0.7
169.10158	1.2
171.11662	1.1
173.13257	1.1
177.11221	2.0
183.11702	0.9
185.13333	0.8
187.14857	0.6
195.11787	0.6
197.13261	0.5
199.14798	0.5
201.16396	0.3
206.62527	0.4
209.11549	1.8
209.13425	1.8
219.17552	0.6
225.12718	2.4
227.12749	2.8
239.18050	0.6
251.14334	1.6
255.16238	0.4
257.19022	0.9
259.20853	0.4
261.22159	0.8
269.15317	2.2
271.15384	0.8
274.72308	0.3
275.20047	4.2
275.78964	0.4
293.21051	0.6
313.17932	1.1
315.18008	26.4
327.17413	0.4
329.19016	1.1
335.25751	5.1
349.23862	1.8
373.21552	0.5
419.24283	12.7
450.37231	0.3
517.40405	0.6
523.29999	0.5
535.41748	0.5
553.42206	0.4
555.40558	0.6
609.45209	5.9
627.36517	0.5
627.46216	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	627.281
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
52.79054	0.6
55.01860	1.2
57.50522	0.7
62.00262	0.6
67.05508	1.4
69.07059	0.8
71.62199	1.2
73.67521	0.6
79.05492	1.3
79.28075	0.6
81.07052	1.9
87.04472	1.2
91.05489	2.0
93.07056	1.9
94.06577	0.7
95.04932	0.7
95.08586	1.1
105.07016	3.6
107.04977	0.7
107.08545	1.2
119.08574	1.0
121.10173	1.0
136.07542	1.1
138.09096	0.8
144.08032	0.9
159.11761	0.7
172.07526	0.8
174.09149	4.7
187.08687	1.1
187.12329	2.9
188.10748	1.9
192.60057	0.6
197.10652	1.1
199.12041	0.7
211.08751	0.8
213.10239	0.8
215.11839	2.9
224.09319	0.7
225.10202	2.8
226.10974	0.8
227.11798	2.8
235.08673	0.8
237.10333	1.6
239.11900	2.1
241.13435	1.9
243.11269	19.3
249.10260	1.6
251.11940	0.9
252.08949	1.1
253.09734	1.4
263.08267	0.8
263.11594	1.0
267.11307	6.2
269.12973	1.6
277.09665	1.3
279.11267	0.9
279.14612	0.7
285.12415	2.1
291.11172	0.9
295.10666	3.8
299.14178	1.7
301.12326	0.9
301.15482	3.0
309.12393	1.7
314.13055	0.7
316.11008	1.9
317.11581	1.1
319.10721	1.3
325.15527	6.1
326.12778	1.1
327.13333	5.0
328.10901	3.0
328.14423	1.4
329.11783	1.9
330.12317	3.1
330.15988	0.9
331.13040	0.7
342.12466	2.7
343.13220	2.5
344.13919	2.3
345.14740	1.3
346.15524	1.9
348.13455	3.1
356.14069	3.0
357.14941	1.5
358.15503	2.7
360.16907	0.9
368.14261	0.8
370.11621	1.1
370.15662	2.2
372.17053	3.8
384.17398	0.9
385.17776	1.0
386.14832	1.2
386.18924	1.0
396.16675	0.7
398.14844	1.7
400.16718	1.6
401.17648	0.8
403.16470	1.1
405.16766	0.8
416.16171	1.3
417.16895	1.0
418.18173	1.2
423.18228	0.9
430.17313	1.0
431.18451	1.4
432.19455	4.1
433.20056	0.9
435.14008	1.4
437.20050	2.0
446.21127	0.8
447.22153	1.6
449.15097	0.9
449.20483	1.3
450.16599	1.2
451.17285	1.1
460.18857	1.3
461.23956	1.4
462.24133	2.3
463.21909	1.5
465.18948	11.7
466.19913	0.8
474.19760	1.4
476.19339	0.8
478.20129	1.2
479.20602	5.4
480.21475	4.0
481.22586	2.5
489.23108	1.2
490.21518	1.3
491.21378	1.1
492.21643	2.5
493.22635	3.8
495.16629	2.1
504.21628	1.9
505.22495	0.9
507.24146	3.8
508.21027	0.8
517.22760	1.6
520.21112	1.0
535.23248	4.9
541.23975	1.1
549.24957	10.6
552.23999	0.9
553.24310	1.5
567.19366	2.7
567.26044	47.9
568.26385	1.7
577.24188	1.2
595.25427	32.6
596.26111	0.8
627.28046	100.0
628.20105	4.0
628.30011	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	627.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15364	0.4
53.03877	0.7
55.01787	0.8
56.96483	0.4
57.03339	1.5
57.03601	0.8
61.02826	2.1
67.05418	1.1
67.05754	0.5
67.27713	0.4
69.03320	5.6
69.03728	0.8
69.06998	0.6
69.54576	3.9
71.04929	0.6
73.02802	1.5
79.05404	1.0
81.03295	1.8
81.06946	1.7
85.02784	9.6
86.10623	0.4
87.04366	1.1
91.03872	0.6
91.05415	0.9
93.06950	1.0
95.08505	0.6
97.02872	3.7
99.04354	1.1
103.03789	0.6
105.06925	0.9
105.09526	0.5
105.46768	0.5
107.04881	0.4
107.08496	0.9
107.44333	0.5
109.02746	1.7
109.06415	0.5
109.10113	0.5
117.06924	1.1
122.76501	0.4
123.04295	1.2
127.03912	2.5
131.04822	0.4
131.08450	0.5
137.02220	1.1
145.04865	0.4
147.04308	0.9
167.07036	7.3
169.06288	0.6
185.05902	0.9
189.05437	2.5
195.02780	0.8
202.07640	1.5
203.06854	0.6
207.02800	0.7
213.05464	2.0
217.10164	2.3
231.06393	1.9
235.11179	0.5
245.09602	5.5
247.07394	0.5
248.08286	0.8
261.09137	0.8
263.10532	1.2
269.04449	0.5
273.09085	2.5
275.06967	1.2
276.07684	1.4
290.09418	0.7
291.10037	3.2
293.07974	0.6
295.05902	1.1
299.05386	0.8
301.08521	2.1
308.06705	1.0
310.04623	0.6
311.05478	10.9
318.08676	0.9
319.09616	12.2
322.08197	0.7
323.05374	2.3
323.08774	2.5
325.06900	1.3
329.07849	1.4
333.11292	1.0
336.06369	0.7
337.07028	1.1
337.10617	0.8
346.08279	1.7
347.09109	50.8
348.09741	0.9
349.07074	1.2
350.07919	2.3
351.08356	0.5
353.10428	2.2
361.10648	3.7
364.09393	1.7
365.10165	100.0
366.10678	2.1
379.11716	7.1
389.10300	1.2
407.10959	2.1
465.19067	83.0
466.19519	1.4
507.20245	0.7
527.15424	13.2
541.17456	0.6
583.18030	1.2
588.22839	0.4
609.24756	0.6
609.35474	0.8
627.24573	40.3
628.24915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
55.01866	0.3
55.05513	0.3
57.03435	0.3
61.02910	0.4
64.03727	0.3
65.03935	2.7
67.05495	1.1
69.03420	1.4
69.07090	0.3
69.92819	1.5
70.06582	0.9
71.04988	0.8
72.08153	1.9
76.03162	0.3
79.05479	0.4
81.03397	0.7
81.07051	1.0
84.08137	0.5
85.02895	3.1
85.06556	0.5
87.04427	0.2
91.05474	6.4
91.06004	0.5
93.03397	2.6
93.07046	0.4
95.04959	0.9
95.08601	0.8
97.02883	33.0
98.03269	0.3
99.04449	0.3
103.05482	0.3
104.39884	0.3
105.07021	0.6
107.04934	0.4
107.08582	0.5
109.02833	1.2
109.10141	0.7
110.02407	0.7
111.04453	0.4
115.05415	0.4
119.04934	9.3
119.08557	0.4
121.02846	1.1
121.06470	0.3
121.10118	0.4
123.04415	0.9
125.02299	0.4
127.03902	100.0
128.04250	0.5
129.07002	0.3
131.04901	0.6
131.08559	1.2
133.06380	0.3
135.11696	0.3
137.05981	0.6
139.03893	0.8
140.04677	0.9
141.06966	1.2
144.05693	1.2
145.02831	0.3
145.04944	0.6
145.06493	0.3
147.04395	11.2
149.02316	3.8
152.07056	0.4
153.01900	0.4
154.06235	1.0
155.07037	1.3
157.03970	0.7
159.08051	1.2
161.05962	0.4
163.03839	0.4
167.03384	18.7
167.06981	1.3
169.06470	1.0
169.09666	0.4
171.04414	0.3
175.03891	15.4
176.04350	0.3
177.05460	0.6
179.06995	0.8
181.04927	1.7
181.06259	0.3
187.07515	2.1
197.05957	0.9
199.07590	0.3
204.07956	0.3
207.06505	34.9
208.06747	0.3
211.14981	0.4
214.06317	0.3
215.06940	1.4
217.08607	0.3
218.09283	0.5
219.06511	1.0
219.10016	1.5
229.08542	2.6
239.20029	0.4
242.05794	0.3
243.06628	0.4
247.09627	1.9
257.08060	1.8
271.06082	0.5
275.09128	8.8
285.07431	0.6
289.09177	4.7
303.08627	2.8
317.06534	0.6
318.06854	0.5
319.07022	0.9
319.69891	0.3
321.09644	9.2
325.27347	0.4
339.10770	1.4
447.15445	0.8
627.23773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01870	1.1
55.05500	1.8
57.03423	1.8
57.07048	0.7
61.02913	1.3
67.05499	3.9
67.98737	0.6
69.03421	6.6
69.07065	3.0
70.06576	1.5
71.04985	2.0
71.62809	1.0
72.08131	1.6
73.02908	2.1
79.05483	2.0
81.03415	5.5
81.07057	5.1
83.04974	0.8
83.08611	0.8
84.08160	0.9
85.02409	0.9
85.02894	10.6
85.06532	1.2
86.09692	1.0
87.00839	0.8
87.04474	0.7
91.05474	4.0
93.07036	7.2
95.04941	2.2
95.08610	3.6
97.02890	5.2
99.04451	1.8
101.02385	0.6
103.05421	0.8
105.07034	2.5
106.04169	0.7
107.04928	1.7
107.08604	4.6
109.02890	3.6
109.06495	0.8
109.10164	3.4
111.08062	0.8
117.03361	1.3
117.07043	1.2
119.04932	1.7
119.08579	1.7
121.02843	0.8
121.06511	1.6
121.10126	1.4
123.04401	1.9
123.08095	0.9
123.11709	1.4
125.09608	0.8
127.03896	6.2
129.05499	0.6
129.07010	0.8
131.08563	0.8
133.10097	2.1
134.03615	5.4
135.04446	0.9
135.07996	1.0
135.11665	2.5
137.02298	1.3
137.05963	1.8
137.09569	1.1
139.07507	1.5
145.04974	1.4
145.06467	1.0
145.10114	1.0
147.04420	5.1
147.11668	1.0
149.05946	2.4
149.13254	1.0
151.03928	0.7
151.07549	3.8
153.01807	0.9
153.05443	1.2
157.10139	0.7
157.24561	0.5
161.05954	0.6
161.09604	0.8
161.13193	0.7
163.03938	0.9
163.07539	0.7
163.11157	0.7
165.05435	1.4
167.07036	45.0
168.07375	2.0
168.33696	0.6
171.11684	0.5
173.05902	1.0
173.13295	1.0
175.03831	0.6
175.07468	1.0
177.05528	0.6
179.22823	0.5
181.04944	1.7
181.06334	0.5
181.08638	0.8
185.05923	0.8
189.05461	3.3
191.03322	1.6
191.10666	1.8
199.07445	0.6
202.07828	1.5
203.07124	0.7
205.08513	0.8
205.12236	1.2
209.04480	1.2
209.07964	0.7
213.05493	2.2
215.06894	0.6
217.10197	1.0
219.08090	1.3
230.05751	0.6
231.06424	0.9
233.09836	0.6
234.10396	0.7
244.09192	0.5
245.09669	2.8
247.07605	1.7
251.06989	0.9
253.04643	0.6
255.06503	6.5
261.09097	2.0
262.09909	1.7
268.79843	0.6
269.07950	1.1
273.09109	2.4
274.98190	0.5
275.07040	1.9
276.07672	1.0
279.03842	0.5
283.05930	0.7
289.08649	2.9
290.09357	2.9
291.10153	0.7
292.07303	0.8
293.07947	1.1
295.06079	0.8
297.07584	2.0
299.05423	0.8
300.07706	0.7
301.08542	3.5
303.06708	0.6
305.11746	0.6
307.06113	1.2
307.09698	1.8
309.07397	1.0
310.04779	5.9
313.07022	1.5
317.07965	1.4
318.08795	7.0
319.09622	1.4
320.06564	0.6
321.07596	1.2
322.04633	1.7
322.08334	1.8
323.05447	2.0
323.08908	0.8
325.07043	56.7
326.07544	1.0
329.08047	3.5
333.07617	1.0
333.11212	10.0
335.05399	0.7
336.09985	1.3
337.07004	3.0
337.10779	2.4
339.08813	1.1
343.07971	4.0
345.07556	2.4
346.08337	15.8
347.09070	1.8
349.07025	1.7
351.08551	1.0
361.10678	45.2
362.10995	1.5
363.08624	2.0
364.09406	14.6
365.10205	3.3
367.11880	1.0
377.10153	1.5
379.11737	100.0
380.12033	3.0
391.11737	1.0
393.13208	0.6
417.15701	3.4
421.12869	1.5
429.33850	1.0
447.18021	2.1
447.24152	0.7
447.30392	0.9
464.34824	0.6
465.18970	4.4
465.36295	2.8
481.08517	0.6
487.12506	4.1
505.13379	11.4
541.17108	9.2
583.18103	25.2
584.18634	1.0
609.15503	7.8
627.16809	48.0
627.24854	8.5
628.17004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08243	0.6
53.03915	1.5
55.01876	1.6
55.05496	1.3
57.03410	0.9
59.32938	0.6
64.81356	0.6
65.03937	1.4
67.05486	1.6
68.89555	0.7
69.03411	4.4
69.07053	2.0
69.75097	1.5
69.75529	2.6
70.06584	3.3
71.04977	1.1
72.08145	3.3
78.03438	3.3
79.05497	3.4
80.05008	1.1
81.03416	6.8
81.07056	4.1
83.01323	0.7
83.04968	1.2
83.08587	1.0
84.08127	1.3
85.02895	5.6
85.06521	0.8
86.06036	0.9
86.09689	1.3
89.03934	0.6
91.05469	8.9
92.69267	0.6
93.07030	6.1
94.04165	2.7
95.04980	3.7
95.08583	3.4
96.04478	2.7
97.02879	12.0
97.06504	0.6
99.04459	1.6
103.05457	5.0
105.03391	0.7
105.07027	11.0
106.02905	15.3
107.04958	1.9
107.08577	2.0
109.02871	5.4
109.06498	2.9
109.10149	2.5
110.02386	1.5
110.06007	0.8
111.04409	1.3
115.05441	2.5
117.03314	1.3
117.06992	3.3
119.04946	2.5
119.08558	3.9
120.08102	2.0
121.02883	1.1
121.06508	6.9
121.10102	1.4
122.03632	6.7
123.04423	3.4
123.08064	1.6
123.11724	0.7
124.03936	28.1
126.05432	0.6
127.03896	6.7
127.07558	0.7
128.04309	0.7
128.06245	1.5
129.06985	2.9
130.04105	0.7
130.08601	0.6
131.04884	2.0
131.08568	1.1
132.05673	1.8
133.06462	8.4
133.10095	1.5
135.04420	1.1
135.11647	0.9
137.05960	100.0
138.05431	1.8
138.06351	1.3
138.09114	2.7
143.04907	1.2
143.06049	0.8
144.05690	1.3
145.02847	3.9
145.06464	4.9
146.03410	1.1
147.04399	6.4
147.08034	3.7
149.05962	13.1
149.09697	0.6
149.13138	0.8
151.03870	1.6
151.07507	3.8
153.01820	1.2
153.05499	1.3
155.04895	1.4
156.10190	9.6
157.06450	0.6
159.08014	4.4
160.05194	1.9
161.05966	22.7
161.09621	0.6
162.06734	5.5
163.03903	1.4
163.07533	2.1
163.11197	0.8
165.06960	1.0
166.05093	0.7
167.07018	7.1
167.08412	1.0
171.04533	0.8
171.06445	0.7
171.07990	1.0
172.05124	0.7
173.05972	1.5
173.09531	0.6
175.07518	29.6
175.14799	0.7
177.05441	8.7
177.06868	0.8
177.09059	0.6
178.05905	1.3
179.07071	1.5
181.04945	1.3
187.07509	13.0
188.15030	0.7
189.09119	1.5
190.07773	2.3
191.08542	8.4
191.10379	1.0
191.14342	0.6
193.06923	0.7
193.08577	3.9
194.07088	0.7
199.07521	2.1
201.05333	0.7
203.08626	1.2
205.06735	0.7
205.08578	2.9
205.12288	0.6
207.06432	1.5
207.08153	1.5
208.08780	1.1
217.08614	1.5
218.07364	1.0
219.08025	14.1
220.05968	1.4
220.08722	2.1
221.05876	0.8
223.07520	0.6
223.11299	0.7
226.07175	0.7
231.08038	1.9
231.10143	1.8
233.09703	0.9
234.06644	0.6
235.07571	1.1
236.08311	2.6
237.09088	0.9
247.07507	7.6
248.08319	1.7
249.09065	1.0
249.11290	2.3
250.07083	5.3
251.10648	26.0
253.08630	1.4
259.07568	1.6
261.09076	1.1
263.06927	0.9
263.10608	1.8
264.07736	2.4
265.08554	1.3
268.08139	18.8
268.10999	0.9
269.11768	1.1
271.05948	1.2
276.07748	0.7
277.08496	0.8
279.10129	26.0
280.10782	2.2
281.08136	1.9
283.09576	1.0
283.12967	0.9
285.11224	1.6
291.09476	1.2
291.12610	8.3
295.09982	0.7
295.13431	1.8
296.10330	2.7
297.11115	1.4
299.12744	1.5
307.26151	1.3
309.11157	2.5
311.12735	93.0
312.13065	2.4
318.15387	1.6
323.12753	11.3
329.13681	4.2
341.13724	4.3
400.12451	2.0
560.19470	0.9
566.19635	1.2
578.20123	26.7
579.20282	0.7
590.20184	3.1
591.73303	0.6
608.21002	2.8
626.22455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08243	0.6
53.03915	1.5
55.01876	1.6
55.05496	1.3
57.03410	0.9
59.32938	0.6
64.81356	0.6
65.03937	1.4
67.05486	1.6
68.89555	0.7
69.03411	4.4
69.07053	2.0
69.75097	1.5
69.75529	2.6
70.06584	3.3
71.04977	1.1
72.08145	3.3
78.03438	3.3
79.05497	3.4
80.05008	1.1
81.03416	6.8
81.07056	4.1
83.01323	0.7
83.04968	1.2
83.08587	1.0
84.08127	1.3
85.02895	5.6
85.06521	0.8
86.06036	0.9
86.09689	1.3
89.03934	0.6
91.05469	8.9
92.69267	0.6
93.07030	6.1
94.04165	2.7
95.04980	3.7
95.08583	3.4
96.04478	2.7
97.02879	12.0
97.06504	0.6
99.04459	1.6
103.05457	5.0
105.03391	0.7
105.07027	11.0
106.02905	15.3
107.04958	1.9
107.08577	2.0
109.02871	5.4
109.06498	2.9
109.10149	2.5
110.02386	1.5
110.06007	0.8
111.04409	1.3
115.05441	2.5
117.03314	1.3
117.06992	3.3
119.04946	2.5
119.08558	3.9
120.08102	2.0
121.02883	1.1
121.06508	6.9
121.10102	1.4
122.03632	6.7
123.04423	3.4
123.08064	1.6
123.11724	0.7
124.03936	28.1
126.05432	0.6
127.03896	6.7
127.07558	0.7
128.04309	0.7
128.06245	1.5
129.06985	2.9
130.04105	0.7
130.08601	0.6
131.04884	2.0
131.08568	1.1
132.05673	1.8
133.06462	8.4
133.10095	1.5
135.04420	1.1
135.11647	0.9
137.05960	100.0
138.05431	1.8
138.06351	1.3
138.09114	2.7
143.04907	1.2
143.06049	0.8
144.05690	1.3
145.02847	3.9
145.06464	4.9
146.03410	1.1
147.04399	6.4
147.08034	3.7
149.05962	13.1
149.09697	0.6
149.13138	0.8
151.03870	1.6
151.07507	3.8
153.01820	1.2
153.05499	1.3
155.04895	1.4
156.10190	9.6
157.06450	0.6
159.08014	4.4
160.05194	1.9
161.05966	22.7
161.09621	0.6
162.06734	5.5
163.03903	1.4
163.07533	2.1
163.11197	0.8
165.06960	1.0
166.05093	0.7
167.07018	7.1
167.08412	1.0
171.04533	0.8
171.06445	0.7
171.07990	1.0
172.05124	0.7
173.05972	1.5
173.09531	0.6
175.07518	29.6
175.14799	0.7
177.05441	8.7
177.06868	0.8
177.09059	0.6
178.05905	1.3
179.07071	1.5
181.04945	1.3
187.07509	13.0
188.15030	0.7
189.09119	1.5
190.07773	2.3
191.08542	8.4
191.10379	1.0
191.14342	0.6
193.06923	0.7
193.08577	3.9
194.07088	0.7
199.07521	2.1
201.05333	0.7
203.08626	1.2
205.06735	0.7
205.08578	2.9
205.12288	0.6
207.06432	1.5
207.08153	1.5
208.08780	1.1
217.08614	1.5
218.07364	1.0
219.08025	14.1
220.05968	1.4
220.08722	2.1
221.05876	0.8
223.07520	0.6
223.11299	0.7
226.07175	0.7
231.08038	1.9
231.10143	1.8
233.09703	0.9
234.06644	0.6
235.07571	1.1
236.08311	2.6
237.09088	0.9
247.07507	7.6
248.08319	1.7
249.09065	1.0
249.11290	2.3
250.07083	5.3
251.10648	26.0
253.08630	1.4
259.07568	1.6
261.09076	1.1
263.06927	0.9
263.10608	1.8
264.07736	2.4
265.08554	1.3
268.08139	18.8
268.10999	0.9
269.11768	1.1
271.05948	1.2
276.07748	0.7
277.08496	0.8
279.10129	26.0
280.10782	2.2
281.08136	1.9
283.09576	1.0
283.12967	0.9
285.11224	1.6
291.09476	1.2
291.12610	8.3
295.09982	0.7
295.13431	1.8
296.10330	2.7
297.11115	1.4
299.12744	1.5
307.26151	1.3
309.11157	2.5
311.12735	93.0
312.13065	2.4
318.15387	1.6
323.12753	11.3
329.13681	4.2
341.13724	4.3
400.12451	2.0
560.19470	0.9
566.19635	1.2
578.20123	26.7
579.20282	0.7
590.20184	3.1
591.73303	0.6
608.21002	2.8
626.22455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01870	0.5
55.05511	1.5
57.03429	0.5
57.07069	0.5
59.04983	0.2
61.02936	0.5
65.03940	0.3
67.01859	1.2
67.05505	2.5
69.03423	1.8
69.07068	2.0
70.06582	0.5
71.02838	0.2
71.03173	0.5
71.04984	0.4
72.08136	0.8
73.02906	0.3
77.03898	0.2
79.05495	1.2
81.03425	1.5
81.06578	0.3
81.07057	5.2
83.04962	0.7
83.08618	1.1
84.08132	0.6
85.02899	4.4
85.06553	1.4
86.09690	0.5
87.04456	0.3
91.05474	2.6
93.07040	7.0
95.04972	1.1
95.08605	4.1
97.02872	2.2
97.06523	0.7
97.10154	0.7
99.04472	0.4
99.08083	0.3
100.68342	0.2
105.07006	1.8
107.04950	0.7
107.08588	2.2
109.02856	1.1
109.06529	0.5
109.10141	3.3
111.04436	0.5
111.08075	0.9
111.11691	0.4
117.06971	0.4
119.04913	0.6
119.08561	1.1
120.04443	0.2
120.08082	0.2
120.80127	0.2
121.06513	2.4
121.10114	1.6
123.04419	0.7
123.08065	0.8
123.11704	1.8
125.05947	0.4
125.09616	0.4
127.03922	2.1
129.07005	0.3
131.04887	0.3
131.08560	0.6
133.06473	0.4
133.10117	1.0
135.04431	0.2
135.08025	0.9
135.11714	1.2
137.05948	1.0
137.09528	0.5
137.13242	0.8
139.03862	0.3
139.07527	4.1
141.05464	0.3
145.02863	0.2
145.10104	0.7
146.06004	0.5
147.04410	2.3
147.08078	0.3
147.11690	0.7
149.05972	5.5
149.09579	0.3
149.13298	1.1
151.03915	0.4
151.06400	0.4
151.07538	4.5
151.11177	0.3
151.14812	0.4
153.05475	0.6
154.71684	0.2
157.10049	0.2
158.11702	0.2
159.08054	0.5
159.11743	0.5
161.05965	0.6
161.09633	0.5
161.13255	0.3
163.03931	0.4
163.07622	0.4
163.11104	0.3
163.14816	0.4
165.05476	0.3
165.09082	1.9
165.12720	0.3
167.07033	100.0
168.06009	0.3
168.07333	1.6
171.08109	0.5
171.11636	0.4
173.09583	0.3
173.13281	0.5
175.07555	0.8
175.11185	0.3
175.14825	0.4
177.05455	0.6
177.09108	0.8
179.06999	0.2
179.18015	0.3
180.10164	0.2
181.04970	0.3
181.08575	1.6
183.08076	0.3
189.09093	0.6
191.07010	0.6
191.10641	1.3
193.08603	0.6
199.11145	0.3
203.10666	0.4
205.08609	0.4
205.12268	0.9
205.19540	0.3
207.06480	0.6
207.10126	1.2
213.05421	0.3
215.07030	0.3
215.10742	0.3
217.12241	0.3
217.19528	0.2
235.13258	0.5
247.13220	0.2
255.06523	4.4
256.06900	0.3
259.14459	0.3
260.14963	0.3
273.25952	0.4
283.06033	1.4
284.06787	0.8
285.07654	1.2
291.26987	0.4
295.06085	0.2
297.07388	0.3
301.18192	0.3
319.19003	0.8
323.05795	0.2
325.06998	0.4
339.08994	0.3
347.08997	0.2
363.08511	0.5
364.09103	0.3
365.10370	0.3
366.68240	0.2
379.11737	0.6
427.32431	2.1
433.13474	0.3
445.12424	1.4
445.33466	4.1
463.13190	2.8
463.34540	3.6
464.14221	0.4
607.21027	0.3
625.21002	1.9
625.31671	0.3
626.21118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01858	0.2
55.05501	0.8
57.03424	0.2
57.07052	0.3
61.02919	0.3
65.03927	0.2
67.01845	1.4
67.05496	1.5
69.03422	1.1
69.07059	1.1
70.06564	0.2
71.04979	0.2
71.62864	0.2
72.08129	0.4
74.01003	0.1
77.03874	0.1
79.05495	0.7
81.03394	0.6
81.07050	3.6
83.04965	0.5
83.08598	0.5
84.08131	0.2
85.02898	2.9
85.06541	1.2
87.04465	0.2
88.47738	0.1
91.03936	0.2
91.05465	1.7
93.07034	5.6
95.01289	0.1
95.04971	1.0
95.08595	3.1
97.02889	1.1
97.06505	0.2
97.10164	0.3
99.04436	0.3
99.08070	0.6
103.03969	0.1
105.04540	0.2
105.07001	0.6
107.04950	0.2
107.08588	1.5
109.02868	0.4
109.06489	0.2
109.10146	2.1
110.07172	0.1
111.04407	0.1
111.08073	0.7
111.11693	0.2
113.09646	0.2
119.04897	0.3
119.08541	0.6
121.06494	1.8
121.10105	1.0
123.04411	0.2
123.08064	0.4
123.11704	1.0
124.05188	0.2
125.09622	0.1
127.03920	1.0
131.04890	0.2
131.08568	0.2
133.10112	0.5
135.08012	0.4
135.11671	0.8
137.05984	0.7
137.09560	0.2
137.13225	0.4
139.07527	4.1
139.11099	0.2
145.02821	0.2
145.04895	0.4
145.10114	0.3
147.04375	0.7
147.11653	0.3
149.05963	4.7
149.13261	0.7
151.07541	2.6
151.08769	0.2
151.11093	0.2
152.04739	0.1
153.05394	0.2
155.07001	0.3
159.11694	0.2
161.05951	0.2
163.11194	0.2
163.14841	0.3
165.05478	0.3
165.09074	1.6
167.07021	100.0
168.07338	0.9
168.80591	0.1
173.13123	0.2
175.14764	0.2
177.05524	0.2
177.09096	0.2
177.16376	0.4
181.04980	0.2
181.08568	0.8
187.52664	0.1
189.09061	0.2
191.07057	0.2
191.10649	0.6
191.17879	0.2
193.08589	0.4
193.62672	0.2
205.12216	0.5
205.19568	0.2
207.10101	1.3
215.10513	0.2
235.13287	0.7
245.08199	0.2
255.06662	0.5
265.25305	0.2
273.25937	0.2
277.25116	0.2
279.26813	0.4
283.05920	0.2
291.26892	1.1
303.19531	0.2
329.12286	0.2
363.25107	0.3
364.09366	0.2
379.11856	0.2
427.32330	1.1
445.33292	4.2
463.13330	0.2
463.34171	5.9
567.17981	0.2
625.20630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04134	1.1
55.01880	1.8
55.05510	6.3
57.03432	2.9
61.02933	1.3
67.05499	17.3
69.03439	1.1
69.07064	7.4
69.55357	3.4
69.55770	7.3
79.05486	12.6
81.03426	1.9
81.07053	18.8
81.28947	1.2
83.04982	1.6
83.08617	4.0
85.02867	1.5
91.05471	18.3
93.07041	15.2
95.04930	1.7
95.08598	11.2
97.02891	1.4
97.06538	1.2
97.10159	2.2
105.07020	19.5
107.04924	2.1
107.08585	9.7
109.06527	2.3
109.10155	5.1
117.07020	10.3
117.78922	1.4
119.08580	13.4
121.06490	2.4
121.10137	5.1
123.08092	1.5
129.06992	8.4
131.08572	18.8
133.06462	1.6
133.10110	7.0
135.08055	2.2
135.11674	2.0
143.08582	7.3
145.10085	11.1
147.04402	1.5
147.08014	2.0
147.11685	3.6
149.09622	1.7
155.08585	3.1
157.10164	4.4
159.11665	3.5
161.13338	1.5
169.10124	3.4
171.11742	3.9
173.13297	2.7
181.10178	1.6
183.11694	3.6
185.13274	3.1
187.14818	2.5
195.11752	2.6
197.13203	2.6
209.13338	2.5
233.15381	1.5
335.23645	1.7
343.26141	3.1
353.24823	7.9
371.25851	9.1
389.26849	10.2
445.29556	100.0
463.30704	24.3
485.64145	1.5
609.28400	1.4
625.32263	16.9
625.42004	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	625.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99382	0.5
55.05510	0.5
55.13855	0.4
57.92625	0.5
67.05488	1.1
70.26741	2.0
73.81211	0.4
79.05495	0.7
81.07069	0.7
83.21194	0.5
93.07051	0.5
98.21513	0.6
105.07052	0.9
107.08589	1.0
119.08607	0.7
128.80351	0.5
131.08627	0.5
151.07568	0.7
203.05257	2.2
238.76746	0.5
238.79224	0.5
315.33630	0.5
445.25519	17.1
463.26617	13.1
463.75125	0.5
581.34668	0.5
625.32001	100.0
626.32697	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	625.3584
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	2.3
55.05507	10.7
57.03428	4.6
57.03713	1.1
57.07072	1.7
61.02924	2.4
67.05504	22.1
67.71037	1.2
69.03442	1.7
69.07060	10.3
70.42911	3.5
71.04988	2.3
72.08182	1.6
77.68975	1.1
79.05489	17.1
81.03425	2.2
81.07055	23.3
83.04980	2.7
83.08617	5.6
85.02900	1.7
85.06547	1.5
89.96789	1.1
90.98344	1.1
91.03960	2.0
91.05479	24.4
93.07044	20.4
95.04951	3.9
95.08609	14.8
97.02879	2.7
97.06502	2.3
97.10154	3.6
105.07027	24.3
107.04971	3.1
107.08575	10.6
109.06518	2.8
109.10164	6.0
111.08125	1.4
115.05469	2.0
117.07007	12.8
119.08574	19.3
121.06517	4.7
121.10129	7.0
123.04477	1.4
123.08064	3.0
125.09647	1.4
128.06215	1.9
129.07043	9.1
131.08563	23.8
133.06526	1.7
133.10114	10.6
135.08032	2.6
135.11710	3.6
137.06024	1.5
141.06998	3.8
143.08595	9.6
145.06494	2.7
145.10120	14.4
147.04381	1.2
147.08060	3.3
147.11679	4.7
149.09630	1.6
151.07660	1.4
155.08540	6.6
157.10123	6.1
159.08069	1.8
159.11665	6.8
161.09648	1.4
161.13121	2.0
167.07137	1.5
167.08553	1.4
169.10139	4.8
170.77370	1.2
171.11707	5.0
173.13260	4.0
175.11183	1.4
181.10144	4.1
183.11673	5.1
185.13280	4.4
187.14891	1.9
195.11725	4.2
197.13245	3.6
199.11235	1.3
199.14952	1.9
201.12714	1.4
203.05330	2.2
209.13266	2.0
211.14880	2.1
213.16611	1.5
219.17587	1.3
223.14848	1.8
225.16386	1.5
227.14249	1.6
233.15311	1.7
247.16942	1.7
325.25494	2.4
335.23734	2.1
338.24762	1.2
343.26263	2.5
353.24704	10.6
371.25797	11.4
389.26880	12.6
427.28326	1.6
445.29517	100.0
446.29871	1.6
463.30817	44.4
533.40051	1.4
625.32275	18.0
625.42822	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	623.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42976	0.1
53.03938	0.5
55.01860	0.6
55.05507	0.8
57.03415	0.3
57.07046	0.2
57.34586	0.1
59.04989	0.3
61.02891	0.2
67.01840	1.1
67.05495	1.4
68.99775	0.4
69.03415	1.6
69.07059	3.9
70.06567	0.2
71.04973	0.2
71.62836	0.3
73.02905	0.2
77.03892	0.2
79.05492	1.0
79.05875	0.2
79.94749	0.2
81.03415	1.2
81.06577	0.2
81.07047	3.0
81.11136	0.1
82.07372	0.2
83.04966	0.7
83.08590	0.5
84.08128	0.3
85.02896	3.8
85.06513	0.7
87.00806	0.2
91.05468	2.0
93.07032	6.9
95.04973	1.0
95.08597	2.0
97.02885	1.4
97.06519	0.5
97.10144	0.3
99.04442	0.6
99.08065	0.4
103.05505	0.2
105.04459	0.2
105.07008	1.0
107.04936	0.4
107.08572	1.4
109.02892	0.9
109.06496	0.4
109.10146	1.8
111.08068	0.7
111.11702	1.2
117.06998	0.2
119.04891	0.2
119.08567	1.1
121.06493	2.9
121.10125	1.1
122.06865	0.2
123.04418	3.1
123.08043	0.3
123.11703	1.0
124.04698	0.8
125.09584	0.4
127.03918	1.2
128.04271	0.2
128.06157	0.2
129.06992	0.2
131.08551	0.2
133.06413	0.3
133.10121	0.6
135.08069	0.3
135.11684	1.7
137.05949	0.6
137.09615	0.3
137.13219	0.2
139.07530	4.2
139.11145	1.2
143.08553	0.5
145.04947	0.4
145.06462	0.2
145.10127	0.7
147.03247	0.2
147.04344	0.7
147.11652	0.4
149.05965	7.5
149.13222	0.4
149.94789	0.2
150.06300	0.8
151.07512	1.6
157.12155	0.3
159.07979	0.2
159.11688	0.8
161.05952	0.3
161.09639	0.2
161.13245	0.5
163.07526	0.5
163.11183	0.2
165.05521	0.3
165.09091	3.2
167.07021	100.0
168.07381	1.8
171.08037	0.3
171.11635	0.2
172.08508	0.3
173.09558	0.2
173.13171	0.2
175.07515	0.6
175.11189	0.3
175.14803	0.2
177.05556	0.2
177.09140	0.3
177.16341	0.3
179.10616	0.2
181.08601	0.9
187.11221	0.2
187.14803	0.2
189.08975	1.0
191.10695	0.5
193.08551	0.3
201.09065	0.2
203.10661	1.6
204.10995	0.9
205.08626	0.2
205.12230	0.6
207.10115	1.7
213.18520	0.4
217.12254	0.6
218.12498	0.3
226.58508	0.2
233.11647	0.2
235.13290	0.4
263.23706	0.3
271.16898	0.5
271.24194	0.2
275.23349	0.2
277.25473	0.3
281.24783	0.4
289.17947	2.5
289.25162	1.1
293.24716	0.2
295.26282	0.5
296.27020	0.1
307.26306	1.8
329.12451	0.3
339.15918	0.4
340.16202	0.7
393.13394	0.2
393.79266	0.1
425.30222	0.5
443.31458	2.7
461.32605	13.9
462.33139	0.9
488.16052	0.3
502.21661	0.2
555.69116	0.2
587.20441	0.2
588.12305	0.3
588.21558	4.5
589.21722	0.5
605.20941	0.2
605.34430	0.2
619.78638	0.2
623.20654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03939	2.8
55.01870	4.3
55.05257	1.0
55.05506	14.7
57.03430	4.9
57.07072	1.4
58.28544	0.6
59.39295	0.6
60.77834	0.6
61.02922	19.5
62.83525	0.7
65.03922	1.8
67.05497	30.2
69.03419	7.4
69.07062	12.1
69.18811	0.8
69.77517	3.1
69.77939	2.0
70.06559	0.9
71.01366	0.8
71.04987	3.6
73.02912	6.2
73.06532	1.0
79.05486	24.1
81.03417	7.8
81.07047	34.5
83.04987	4.3
83.08611	8.8
85.02897	20.2
85.06518	3.4
91.03951	10.2
91.05471	34.1
93.07035	22.5
95.04955	8.1
95.08601	20.3
95.09113	0.5
97.02883	12.6
97.06531	5.8
97.10164	3.1
99.04444	2.5
99.08101	1.3
101.02340	1.0
101.05989	0.8
103.03911	0.8
103.05442	2.3
105.07017	25.6
107.04949	6.6
107.08579	13.2
109.02862	3.0
109.06514	4.8
109.10143	9.1
111.04454	1.2
111.08082	2.2
115.03903	1.0
115.05442	4.4
116.06221	1.1
117.07009	24.2
119.04942	2.1
119.08576	17.1
121.02821	0.9
121.06503	6.3
121.10131	8.6
123.04412	9.8
123.08063	4.5
123.11678	1.9
124.04730	1.1
125.05997	1.1
125.09615	2.6
127.03915	5.0
128.06223	6.0
129.06989	24.4
131.04938	2.5
131.08553	29.8
131.09508	1.6
133.06450	5.1
133.10117	11.6
135.04434	1.7
135.08026	4.0
135.11684	4.9
137.05937	1.7
137.09598	2.2
137.13307	0.9
139.11192	1.3
141.06984	10.5
142.07788	2.4
143.08543	20.7
145.04893	1.3
145.06482	7.1
145.10106	14.5
147.04401	3.1
147.08026	6.0
147.11691	4.4
149.05962	1.8
149.09618	4.9
149.13239	2.3
151.07535	3.2
151.11179	2.0
153.05458	2.8
153.06975	2.4
154.07771	1.7
155.08540	15.9
157.06508	2.2
157.10112	14.0
159.08037	4.2
159.11681	9.4
161.05971	1.5
161.09569	3.4
161.13202	1.5
163.07512	1.7
163.11172	3.0
165.05588	1.0
165.07007	2.3
166.07744	1.5
167.03386	0.8
167.07034	13.9
167.08568	7.7
168.07373	1.3
168.09297	2.0
169.10095	12.8
171.08023	3.7
171.11652	8.8
173.06038	1.6
173.09631	3.6
173.13243	2.6
175.03864	1.1
175.07500	1.6
175.11183	2.6
177.05434	1.1
177.09132	1.5
177.12733	1.6
178.07736	1.5
179.07088	1.1
179.08479	4.4
180.09360	0.9
181.10117	9.2
183.02811	0.9
183.08044	1.2
183.10172	1.2
183.11646	8.4
185.06007	0.8
185.09625	2.8
185.13223	6.3
187.11156	3.1
187.14862	2.9
189.05663	0.9
189.12770	1.4
191.10699	1.2
192.09332	1.3
193.10123	3.6
193.11977	0.7
194.10947	0.8
195.08052	1.3
195.11682	9.2
195.13451	1.3
197.09572	1.8
197.13263	7.6
199.11163	2.9
199.14813	4.7
201.12785	1.7
203.14326	2.2
205.10204	1.1
205.12042	0.9
207.11664	4.4
209.13228	6.3
211.07578	0.9
211.11156	2.0
211.14854	3.8
213.12711	4.2
213.16370	2.1
215.14371	3.9
217.12302	0.9
217.15955	1.3
219.11775	1.5
219.13800	1.1
221.13298	4.9
223.14789	5.1
225.12723	2.3
225.16354	2.3
227.14281	2.1
229.12219	0.9
229.14256	1.8
231.13858	1.2
231.17332	1.2
233.13226	1.6
233.15416	1.9
235.14746	3.3
237.16319	1.6
239.14328	4.7
241.15829	2.7
243.17563	1.3
245.15390	1.5
247.17120	0.9
249.16563	1.2
253.15794	3.3
255.06613	1.8
255.17630	1.1
257.15366	2.1
259.17007	1.7
267.17377	1.2
269.15350	1.3
271.09573	1.6
271.14410	0.8
271.16840	4.3
275.16391	0.8
275.20181	1.1
285.18402	1.6
289.17981	1.2
295.05981	3.4
295.09174	0.9
295.16989	1.0
301.10852	1.2
301.18234	0.8
302.10950	1.8
303.19653	1.1
305.22287	1.1
315.20935	1.8
323.23541	3.4
333.22064	10.1
336.25150	1.0
341.24744	5.8
351.12140	0.8
351.23141	31.0
359.25772	1.1
369.24219	23.3
387.25235	14.2
389.24744	1.2
407.26001	0.8
415.28400	1.5
425.26617	7.3
426.28036	0.9
433.29111	1.8
443.27881	100.0
444.28110	1.6
461.28918	69.0
462.29007	2.0
485.28848	2.2
503.29691	1.4
550.15948	1.7
551.29590	1.1
569.30664	0.9
587.32129	2.4
605.33234	2.1
623.19702	3.9
623.34027	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	623.2862
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
52.13396	0.4
52.16303	0.4
53.03920	0.4
62.85677	0.4
67.05502	1.0
69.32144	0.3
69.44103	3.5
70.41673	0.3
79.05495	0.8
81.07039	1.3
83.04974	0.4
91.05499	0.8
93.07064	1.0
95.08634	0.7
98.70869	0.4
105.06978	0.3
107.04960	0.5
107.08577	0.5
117.06998	0.6
119.08640	0.5
233.15541	0.4
254.37737	0.5
289.18103	1.0
391.19150	0.5
400.16727	0.4
401.17551	0.7
403.19775	0.5
404.20779	0.4
413.17807	0.5
414.18744	0.9
415.19220	1.5
417.21194	0.5
419.22977	0.6
420.19229	0.6
427.19449	0.6
428.20270	1.2
429.20786	4.3
430.22092	0.9
431.18417	0.7
431.23434	0.5
433.24167	1.1
442.21698	0.6
443.22400	3.7
444.23721	2.1
445.19363	0.6
445.24252	1.1
447.21561	1.3
449.23517	1.0
456.19513	0.8
457.24109	1.4
458.24985	2.6
459.21387	3.1
460.22910	1.8
461.19171	1.2
461.23740	1.7
462.20615	1.3
470.21027	0.8
471.21762	1.3
472.22629	3.7
473.23553	2.3
474.20267	0.6
475.21356	1.3
476.21863	1.8
477.23019	2.3
485.23410	6.0
486.24051	1.8
487.25134	2.5
489.22916	1.0
502.23761	0.8
503.24509	2.3
513.22668	0.8
517.26117	5.0
519.24036	1.0
520.25012	0.4
521.21899	0.6
531.23889	4.3
535.26434	0.7
545.25494	44.5
546.25977	1.6
548.24054	0.7
563.26471	12.0
564.26978	0.6
577.28149	0.5
591.26208	0.7
605.27563	5.0
623.28619	100.0
624.29089	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
54.08660	1.5
57.03375	1.0
80.32595	1.2
92.99699	1.2
99.81675	1.2
101.36431	1.2
113.61759	1.2
126.09315	1.2
143.57910	1.2
161.38708	1.1
162.52800	1.1
299.51788	1.2
405.20868	3.2
415.19254	2.5
419.18350	1.4
429.20786	3.4
433.20215	3.7
444.23053	2.1
447.17795	6.9
457.23929	1.5
459.21603	2.4
460.22253	1.8
461.18961	5.7
475.21338	1.7
476.21948	15.3
477.22827	1.6
485.23575	6.1
503.24323	4.4
515.24438	4.7
521.25647	3.7
531.23859	8.3
545.25555	9.1
549.24994	6.0
559.23492	2.8
563.26556	5.0
591.26227	15.0
605.27319	1.8
623.28613	100.0
624.28595	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	0.3
69.83892	0.9
69.84301	0.5
78.08936	0.2
80.81265	0.2
81.07024	0.4
88.10209	0.2
95.08600	0.3
96.87879	0.2
116.81879	0.2
154.81938	0.2
155.04364	0.3
185.22061	0.2
209.10802	0.3
223.12172	0.3
375.16068	0.4
376.16702	0.3
387.15662	0.3
388.16840	0.6
389.17755	0.8
391.19205	1.2
393.20898	0.2
401.17773	0.7
402.18497	0.7
403.19254	1.7
404.15497	0.3
404.20389	1.0
405.16071	0.3
405.21167	2.3
406.21323	0.5
407.22327	1.0
413.17838	0.2
414.19101	0.5
415.19626	1.4
416.20059	0.8
417.16635	0.9
417.21570	2.0
418.17313	0.5
418.21774	0.7
419.17697	0.4
419.22696	3.5
420.23016	0.8
421.24216	0.3
429.21576	1.1
430.16937	1.3
431.18091	3.2
431.23523	0.3
432.18640	1.5
433.20081	5.0
434.20908	0.6
435.21747	0.5
443.17819	1.6
444.18875	2.2
445.19955	4.6
446.21036	2.9
447.21948	3.9
448.22946	1.3
449.23431	0.8
457.20267	0.9
458.20850	5.8
458.26544	0.3
459.21719	4.7
460.22733	3.3
461.19260	0.7
462.20670	0.5
463.21188	1.9
465.22760	0.3
471.21854	0.7
472.22531	0.5
473.23776	1.1
475.20630	1.2
476.21948	0.9
477.22894	1.3
485.23819	0.6
487.25269	0.5
489.23660	0.3
490.23663	0.4
491.24576	0.5
493.25940	0.3
501.22855	0.3
503.24783	0.5
504.25748	0.3
505.22461	0.7
517.22571	0.9
518.22974	3.6
519.24066	0.4
521.21436	1.3
530.22693	0.3
531.23932	0.8
532.24585	0.5
533.25476	7.6
534.26086	0.5
535.27637	1.4
545.25464	2.9
546.25977	1.0
563.26532	5.0
573.25006	0.8
577.28058	0.6
591.26691	0.5
605.27570	10.2
606.27905	0.4
623.28558	100.0
624.28888	2.1
626.58521	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	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91454	0.4
69.57554	1.8
69.57979	1.2
74.61108	0.4
90.40389	0.4
91.05387	0.5
97.76157	0.4
98.21503	0.4
232.56874	0.4
271.66125	0.4
389.18747	1.0
390.18515	0.8
391.19177	1.3
392.19864	0.5
399.16077	0.6
400.17300	0.6
401.17722	1.0
402.19366	0.5
403.19690	0.8
404.20685	1.6
405.20767	3.9
406.21756	1.0
413.17569	0.8
414.18674	1.1
415.19229	3.4
416.19717	0.7
417.20755	1.4
418.21597	0.6
419.22476	1.5
420.23169	1.7
421.23773	2.1
427.19418	0.9
428.20102	1.0
429.20895	4.3
430.21881	2.1
431.17920	0.9
431.22897	1.2
433.19373	3.2
433.24966	1.0
434.24643	0.9
442.21631	1.4
443.22440	1.6
444.23459	2.5
445.20087	3.4
446.21048	1.2
447.17300	3.8
448.22864	0.9
452.22095	0.6
455.18903	0.6
457.24390	3.6
458.25079	0.6
459.21695	4.6
460.22723	4.7
461.19446	13.2
463.22220	0.5
470.21182	0.9
471.17740	0.6
472.22501	1.8
473.19839	1.4
475.20395	3.9
476.21823	11.6
476.27628	0.7
477.26956	1.3
478.24225	0.5
485.23526	14.3
486.20050	4.6
487.20297	0.7
487.25287	1.2
488.21808	2.9
489.23181	2.4
492.25723	0.8
493.26260	0.7
497.23273	0.9
499.21503	0.9
500.22009	1.8
502.23703	1.0
503.24396	11.7
504.21680	0.5
505.22986	0.7
513.23016	1.8
515.24414	12.4
521.25488	12.3
521.33008	0.8
531.23883	21.2
532.24109	0.7
535.22906	1.0
541.22394	0.8
545.25305	1.0
549.24957	17.9
559.23407	9.4
563.26593	1.4
564.27472	0.8
591.25977	40.8
592.25879	1.0
623.28589	100.0
624.28937	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91105	0.6
69.44392	5.4
80.21273	0.6
85.01058	0.6
94.25164	0.6
114.35721	0.6
146.52563	0.6
165.89519	0.7
209.10823	0.8
223.12364	0.8
237.13947	1.0
359.77618	0.7
376.17041	0.8
377.17773	2.1
378.18506	1.8
386.15179	0.8
388.18060	1.5
389.18643	2.5
390.18802	1.9
391.19275	6.3
392.19949	4.2
393.20752	3.5
395.23639	0.8
399.16086	2.0
400.16977	2.6
401.17624	2.4
402.18964	1.0
403.19455	1.7
404.20566	2.4
405.16534	0.8
405.20834	8.1
406.21356	8.1
407.22287	19.0
407.27347	1.1
412.17245	0.7
413.17700	3.2
414.18332	3.7
415.19235	9.2
416.20413	1.2
417.16284	0.8
417.21344	1.9
418.17346	1.2
418.22232	0.9
419.17819	1.1
419.23163	3.1
420.23129	3.4
421.23889	14.8
422.24646	2.4
427.19217	2.9
428.20291	4.3
429.20828	20.3
430.21753	5.0
431.17780	1.1
431.22495	2.0
432.19028	1.4
433.19940	2.2
433.24243	2.3
434.24646	1.3
435.20993	1.1
441.16183	0.8
442.21524	2.5
443.22461	14.3
444.23456	5.2
445.20123	4.2
446.21158	1.3
447.17145	2.9
449.23575	1.5
455.18643	2.4
456.19214	1.0
457.19482	2.2
457.24057	4.4
458.25027	6.7
459.22122	7.2
460.23355	3.2
461.18948	7.0
462.20526	3.7
463.21323	1.1
470.21216	2.0
471.21753	2.8
472.22745	4.5
473.19501	2.4
474.20593	1.2
475.20932	7.7
476.21765	3.9
477.23032	2.7
483.17969	1.4
484.18921	1.7
485.23746	10.1
486.20056	1.7
486.24716	1.2
487.21387	2.6
488.21976	2.1
489.23120	3.9
493.25784	1.1
498.20474	1.0
499.21405	4.1
500.21997	1.7
501.22827	1.0
503.24530	7.6
504.21881	1.0
513.22974	2.0
514.23315	1.4
515.24146	0.9
517.26221	6.8
521.25012	1.0
529.26129	1.3
531.24200	1.4
535.26984	3.9
545.25458	58.2
546.25806	1.4
547.26910	1.0
559.24432	0.8
562.24835	0.9
564.27057	2.0
573.24988	14.9
591.25610	0.9
605.27545	84.0
606.27692	3.3
623.28601	100.0
624.28906	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	623.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
57.03424	0.3
60.05625	0.4
60.73248	0.3
69.03410	0.6
70.06583	1.6
71.04979	0.4
71.62569	0.4
72.08152	4.4
81.03404	0.8
81.07055	0.5
84.04488	0.4
84.08128	0.9
84.64783	0.3
85.02910	1.5
86.03207	0.4
86.06051	0.4
86.09698	0.8
87.82336	0.3
89.10771	0.9
91.05457	0.9
93.07037	0.3
95.04948	0.7
97.02895	1.4
97.95801	0.3
98.03201	0.3
98.06042	0.4
98.09699	0.4
99.04441	0.3
102.05536	0.3
105.07008	0.7
107.04929	0.9
109.02869	0.8
110.02392	1.0
114.10268	0.6
115.08651	0.4
119.04916	1.4
121.02863	0.4
127.03898	1.5
131.04909	0.7
132.05743	0.6
133.06122	0.3
136.07545	0.4
137.05968	0.9
140.07011	0.3
145.02855	0.6
147.04391	5.4
148.04709	0.4
150.05505	0.3
151.03871	0.4
151.26949	0.3
152.07018	0.8
153.05504	0.3
156.10097	0.4
161.05869	0.4
163.03835	0.9
164.06969	0.3
165.05507	0.3
167.06998	2.0
168.07314	0.4
175.03813	0.4
177.05495	1.2
178.05791	0.4
179.07054	0.5
180.07739	0.6
181.08290	0.3
185.04243	1.7
187.03815	0.7
189.05222	16.1
191.07011	0.7
192.07774	2.5
193.08189	1.0
194.08331	0.6
202.06070	0.5
203.06815	1.0
205.04816	0.5
207.06270	0.4
209.08302	0.3
216.07579	1.3
216.11325	0.5
217.08395	2.1
218.05489	0.5
218.11823	0.4
219.06406	0.4
220.00603	0.3
221.59505	0.3
232.07097	0.5
233.07886	1.8
234.08621	0.7
235.05763	0.8
235.14316	0.3
239.22266	0.3
249.07339	3.4
250.08109	13.8
251.08887	0.9
255.06534	0.8
263.08920	4.9
365.11990	4.7
371.11261	0.5
372.11707	0.7
373.11948	0.9
379.13599	14.5
395.12909	1.8
429.15378	0.7
431.16827	0.6
445.14917	0.9
460.16843	1.1
461.17651	9.3
510.20859	0.6
623.22955	100.0
624.22968	1.8
641.22046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
55.05498	0.8
56.05014	0.8
57.03424	0.6
57.58614	0.5
60.05627	0.5
67.05467	0.5
69.03426	2.0
69.07040	0.9
69.56768	0.4
70.06584	5.4
71.04979	0.7
71.62717	0.9
72.08151	10.3
74.06022	0.5
76.46188	0.4
79.05463	1.0
81.03390	1.6
81.07050	0.6
84.04482	1.0
84.08125	2.9
85.02895	3.8
86.03180	0.6
86.06040	0.5
86.09673	1.8
89.10774	1.6
91.05464	2.2
93.06998	0.9
95.04920	1.1
95.08549	0.6
97.02879	3.6
97.06477	0.7
97.07659	0.5
98.06032	1.1
98.09676	0.5
102.05560	0.6
103.05461	0.8
105.07003	1.4
107.04920	1.9
108.08917	0.4
109.02831	1.3
109.10123	0.5
110.02374	1.2
110.07154	0.7
114.10244	1.3
115.08659	1.0
119.04932	3.7
120.08059	0.6
121.02875	1.0
121.10183	0.7
123.04423	0.8
125.05960	0.5
127.03909	4.2
129.10191	1.2
131.04915	2.3
131.12915	0.8
132.05746	2.3
133.06110	0.7
136.07550	1.0
137.05942	1.2
138.05432	0.5
145.02789	0.6
145.04959	0.7
147.04396	14.1
147.11632	0.5
148.04805	0.9
149.05965	0.8
150.05469	0.5
151.03847	0.9
151.07524	0.6
152.07036	0.8
152.94360	0.4
153.09074	0.4
154.88550	0.4
155.11781	0.4
159.09186	0.5
160.05107	1.6
161.05922	1.2
161.09622	0.6
162.06375	0.4
163.03844	1.6
163.07495	0.7
165.05544	0.5
167.07036	4.6
168.07433	1.2
173.02440	0.5
177.05455	3.5
178.05794	0.7
179.07019	1.1
180.07622	2.1
181.04872	0.5
181.08080	0.7
187.03862	1.6
188.04262	0.7
189.05186	1.6
191.07060	2.2
192.07788	8.3
193.08211	4.5
194.08351	1.9
197.01045	0.5
201.12393	0.6
207.06386	0.5
209.08095	1.1
210.08731	0.7
216.11253	1.6
217.04919	0.5
218.11809	0.9
227.02271	1.1
234.12192	1.0
235.14233	0.6
245.03281	1.1
250.08130	0.7
277.16553	0.5
284.81549	0.4
341.10214	0.6
342.10583	0.7
353.10431	0.6
354.10556	0.5
361.06168	0.4
371.10971	1.3
372.11642	2.7
373.11722	3.5
379.13330	0.9
419.13474	0.8
459.20737	1.0
460.21619	0.9
461.15872	1.6
461.21558	3.0
464.13272	0.9
479.15918	2.1
510.20465	1.9
613.87238	0.5
623.20648	100.0
624.21100	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	623.1754
Annotation	Naringenin 7-[3-acetyl-6-p-coumaroylglucoside]
Peak:m/z	Relative Intensity
53.03938	0.1
55.01850	0.2
55.05494	0.1
57.03043	0.1
63.37682	0.1
65.03936	0.2
67.05486	0.2
68.99770	0.1
69.03411	0.2
69.07051	0.2
70.27890	0.3
72.08138	0.2
79.05497	0.2
79.98820	0.1
81.03401	0.5
81.07051	0.4
83.04951	0.1
83.08596	0.1
84.08134	0.1
85.02917	0.3
85.06532	0.1
91.05469	1.6
93.07030	0.4
95.04968	0.1
95.08592	0.5
97.02875	0.2
97.06502	0.1
99.04431	0.1
103.05421	0.1
105.03394	0.1
105.07013	0.1
107.04973	0.1
107.08597	0.3
109.02844	0.3
109.10130	0.2
110.92355	0.1
111.04398	0.1
115.05402	0.1
119.04932	1.7
119.08518	0.1
121.02844	0.2
121.10133	0.1
123.04423	0.1
123.08051	0.1
123.11709	0.1
127.03894	0.3
128.06189	0.2
129.06961	0.4
131.04889	0.2
131.08554	0.2
133.02826	0.5
133.10114	0.1
134.03632	0.1
135.11740	0.1
137.02321	4.2
137.05978	0.1
141.06995	0.1
143.04845	0.1
143.08527	0.2
145.02827	1.0
145.06393	0.1
145.10086	0.1
147.04387	1.2
147.11702	0.1
149.01253	0.1
149.02333	0.4
149.05974	0.1
149.09515	0.1
149.13206	0.4
151.03894	0.1
151.07523	1.2
152.06207	0.2
153.06950	0.9
157.06493	0.8
158.64928	0.1
163.11131	0.1
165.06981	0.2
165.09096	0.2
167.07037	1.1
169.06425	0.1
171.08058	0.7
175.03888	1.9
175.07422	0.1
177.05521	0.1
179.07010	0.1
181.04987	0.1
181.06445	1.5
181.07892	0.1
182.07262	0.1
184.05171	0.2
185.05939	0.2
189.12756	0.1
191.10626	0.4
197.05989	0.1
198.06708	0.1
199.07515	7.5
205.12169	0.2
207.06499	4.7
209.05896	0.2
210.06705	0.1
211.07544	0.2
213.05495	0.1
227.06996	3.4
228.07068	0.1
237.05441	1.4
255.06482	100.0
256.06833	1.0
285.07504	0.3
351.10754	0.4
362.76694	0.1
369.11737	0.3
425.30450	0.1
443.31424	0.3
527.18243	0.1
623.17908	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	622.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25589	1.3
64.97938	1.3
70.96566	2.8
81.66151	1.2
82.83208	1.4
89.25728	1.1
90.31994	1.3
149.99930	1.4
170.36722	1.6
206.87283	1.2
237.13966	1.7
243.87843	1.2
416.65622	1.3
417.16989	1.8
432.19119	2.6
433.20303	3.1
447.17297	2.5
447.22556	3.3
460.22604	2.5
461.19196	3.9
462.20187	3.8
474.20331	1.9
475.21317	18.1
476.21982	8.8
477.22717	5.5
488.22067	1.6
489.23022	2.4
502.23880	1.6
503.20923	5.6
504.20435	1.7
505.22153	1.9
519.23853	2.2
520.24261	2.8
529.30383	1.4
533.21600	1.8
534.25562	2.9
535.23254	9.1
536.01630	1.6
536.24048	2.9
548.23566	2.1
550.50806	1.4
561.24896	1.7
562.25311	34.1
563.26532	9.4
571.32898	1.6
575.23157	1.6
590.24921	9.1
593.25079	4.3
594.27637	3.5
607.25415	4.0
622.27631	100.0
623.28644	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	622.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18987	0.6
53.03932	1.6
55.01863	1.4
55.05492	1.2
55.57160	0.5
57.03426	1.4
57.07051	0.8
57.58266	0.6
61.02915	1.5
65.03931	1.6
67.05499	6.7
68.99776	1.7
69.03419	6.3
69.07063	1.7
69.37186	5.8
71.04980	2.0
73.02916	1.5
75.74289	0.5
79.05482	1.8
81.03403	5.9
81.07051	3.9
83.08604	1.1
84.08145	0.7
85.02415	1.1
85.02901	14.4
85.06544	4.4
87.00838	3.6
91.05490	2.9
93.07056	2.9
93.07538	0.6
95.04953	3.5
95.08608	3.0
97.02879	5.4
97.10151	1.0
99.04449	2.9
103.05473	0.7
105.01857	3.0
105.07029	2.1
107.04977	1.3
107.08578	2.0
109.02880	7.2
109.10135	2.5
115.05428	0.6
117.01840	0.8
117.07018	1.0
119.04903	0.6
119.08584	1.1
121.02881	0.7
121.06487	6.6
121.10155	1.6
123.04419	91.5
123.11755	0.8
127.03906	9.5
129.01799	0.9
131.04897	0.7
131.08568	0.6
133.06494	0.9
133.10095	1.1
135.04399	2.0
135.11653	0.8
135.18417	0.7
137.05989	3.7
139.07491	0.8
145.04987	3.1
145.06421	2.1
145.10103	0.9
147.02748	0.6
147.03287	0.7
147.04419	8.1
147.08043	1.5
149.05978	14.7
149.09573	0.7
149.13350	0.6
150.06760	7.6
151.07532	7.1
155.00172	0.6
159.02878	3.5
159.04036	0.7
161.05946	1.9
163.03819	0.7
163.07533	21.5
165.05450	3.7
165.09113	1.0
167.07034	13.9
168.07318	3.6
171.08090	0.9
173.05923	2.2
175.07510	5.8
175.11205	0.6
177.05505	0.7
185.05907	0.8
187.07515	0.7
189.05493	2.3
189.09129	1.4
191.10698	1.1
193.08559	0.7
203.10638	1.0
207.10104	0.6
215.06961	0.8
217.12318	0.7
221.11708	100.0
222.12206	0.9
235.13208	4.0
247.13274	4.4
285.11163	16.3
309.11276	1.9
321.27686	1.0
339.28784	0.9
357.16934	91.0
358.17346	1.0
365.10278	0.6
381.16943	28.8
399.18250	0.7
423.17923	7.6
430.09818	1.0
447.18048	2.9
460.31247	2.0
465.19174	1.7
533.18158	1.0
551.19135	0.8
604.35742	0.7
621.48462	2.1
622.18854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01862	2.0
55.05503	1.3
57.03419	1.6
57.41062	0.5
58.30700	0.5
59.04995	0.9
61.02925	1.3
62.22107	0.5
67.05493	2.7
68.99786	3.1
69.03418	8.8
69.07056	0.7
71.04994	1.3
71.37225	1.4
73.02901	1.3
78.62023	0.6
79.05481	2.9
81.03411	6.4
81.07051	10.6
83.04968	0.7
83.08636	1.0
85.02896	11.8
87.00803	2.4
91.05464	2.5
93.07024	3.6
94.17299	0.9
95.04964	3.5
95.08606	2.1
97.02872	4.2
97.06541	1.2
99.04438	2.8
102.23985	0.6
103.03944	0.8
103.05461	2.4
105.01857	1.7
105.07045	2.4
107.04961	2.5
107.08570	1.2
108.08892	0.7
109.02863	6.0
109.06506	4.5
109.10145	1.2
115.03970	0.7
115.05447	0.7
117.07031	1.3
119.08597	1.4
121.06486	8.7
121.10098	0.8
123.04417	58.1
123.08021	0.8
127.03905	8.7
127.07585	0.8
128.06216	2.0
129.01837	1.0
129.07024	1.4
131.04910	1.4
133.06519	1.4
133.10138	1.1
135.04434	1.9
135.08073	0.7
135.11694	0.7
137.05966	3.4
141.07030	0.9
143.08548	5.7
145.04947	2.0
145.06509	1.3
145.10107	1.2
147.04410	1.1
147.08061	1.7
149.05963	41.8
151.07565	1.4
151.36417	0.7
158.07338	0.8
159.02921	1.6
159.08078	1.2
159.11520	0.7
160.05228	0.6
160.08846	1.3
161.05959	2.6
161.09683	0.7
163.07513	3.7
165.05515	2.0
167.06987	3.3
171.08025	7.0
172.08818	1.1
173.09651	1.4
174.06712	0.7
175.07526	5.0
175.11131	4.2
176.08241	0.8
177.05534	1.0
177.09062	1.0
187.07556	1.5
188.08299	4.7
189.05559	2.3
189.09093	2.3
201.09146	2.3
203.10649	34.9
205.12213	2.0
207.06682	0.7
215.06918	0.9
215.10756	1.3
217.12218	10.5
229.12175	3.2
245.11749	1.0
285.11093	4.0
325.07291	0.8
325.10748	3.3
325.14215	1.0
339.15903	21.6
381.17285	1.3
441.48840	0.7
487.15918	7.0
501.21155	4.0
533.17023	0.8
547.92310	0.8
587.21173	100.0
588.21973	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.42901	0.7
75.10426	0.2
81.07054	0.4
93.07034	0.2
93.18734	0.2
116.74580	0.2
120.08101	0.2
146.05940	0.2
209.10701	0.3
221.10881	0.3
223.12254	0.3
249.10396	0.2
251.11511	0.3
263.11673	0.2
323.14432	0.3
324.14545	0.2
373.14673	0.3
374.15436	0.6
375.16266	1.0
386.16638	0.3
387.16248	0.7
388.16736	1.1
389.17636	2.9
390.18460	0.8
391.19354	0.8
401.18381	1.0
402.13986	0.4
402.18893	1.2
403.15561	0.4
403.19403	4.4
404.19943	2.4
405.20782	2.8
406.21146	0.3
415.19263	0.8
416.15521	1.3
417.17062	3.6
417.21085	2.4
418.16818	1.5
418.21878	0.9
419.22409	7.9
420.23032	1.0
429.16745	0.4
430.17816	0.8
430.22125	0.6
431.18149	7.7
432.19061	3.6
433.20197	2.8
443.18689	0.9
444.19312	0.6
445.20071	6.1
446.21011	6.2
447.21756	10.0
448.22507	0.6
455.19122	0.3
457.20169	0.5
458.20929	0.4
459.21738	2.8
460.17899	0.4
460.22687	0.8
461.19449	1.5
463.21353	0.5
473.19675	1.5
473.24371	0.6
474.20264	6.0
475.21231	8.4
476.21829	0.5
477.23163	0.5
478.23825	0.3
487.21338	3.4
488.21735	1.2
489.22980	0.4
490.23166	0.4
491.19949	1.3
492.25247	0.5
501.22849	1.9
502.23608	0.5
503.20541	0.3
504.21750	0.3
505.21399	0.4
505.25772	1.1
517.22235	0.4
518.23120	0.5
519.19714	0.5
529.22382	0.6
533.25470	16.6
534.25696	1.5
546.22845	0.3
561.24945	24.7
562.25348	1.6
565.28058	0.4
589.25061	1.0
593.27545	3.8
614.19000	0.2
621.27020	100.0
622.27264	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	621.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69196	0.3
70.19091	0.2
71.34489	0.3
71.34825	0.4
88.45208	0.2
89.25033	0.2
93.08174	0.2
132.08012	0.2
139.74333	0.2
187.84451	0.2
197.10568	0.2
208.09761	0.2
209.10611	0.4
221.10649	0.6
251.11577	0.3
312.14822	0.2
373.14609	0.3
375.16052	0.8
387.15909	1.2
388.16888	1.2
389.17554	3.2
390.18686	1.1
391.19119	0.6
400.17407	0.3
401.17822	1.2
402.18942	1.4
403.19333	5.3
404.20032	2.6
405.20853	1.2
415.14664	0.4
415.19196	0.8
416.15295	1.2
416.20441	0.7
417.16910	3.2
417.20868	3.2
418.17303	0.7
418.21454	0.8
419.22357	7.6
420.22675	0.7
429.16812	0.9
429.21393	0.6
430.17377	1.8
431.18027	6.0
431.23264	0.8
432.19153	2.3
433.20029	1.5
443.18634	0.8
444.19418	0.9
445.20157	6.6
446.20929	4.5
447.21753	9.5
448.22388	0.6
457.20724	0.4
458.21085	0.5
459.17685	1.4
459.22049	1.7
460.18060	0.5
460.23016	0.8
461.19778	0.8
463.21167	0.3
473.19568	1.3
473.24612	0.4
474.20386	9.2
475.21255	13.9
476.21371	0.8
487.21387	3.6
488.21793	1.5
489.22949	0.3
491.20337	0.3
501.22784	2.0
502.23465	0.7
503.20721	0.4
504.21295	0.3
505.26343	1.3
518.23083	0.6
529.22437	0.9
533.25555	9.2
534.25958	0.4
546.22278	1.0
561.24951	69.6
562.25488	3.2
589.24463	2.0
593.27478	2.8
621.27045	100.0
622.27307	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	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.21386	0.2
70.23931	0.7
101.81390	0.2
211.12071	0.2
217.07620	0.3
223.12405	0.3
363.17346	0.3
374.15390	0.3
375.16061	0.3
387.16245	0.5
388.16785	0.8
389.17798	2.2
390.18353	1.1
391.19122	0.8
401.17703	0.9
402.18597	0.9
403.19464	3.6
404.20081	1.7
405.20728	2.3
406.21527	0.3
415.19485	0.6
416.15991	0.8
416.20065	0.8
417.17047	2.8
417.21060	1.9
418.17624	0.9
418.21780	0.9
419.22443	5.4
420.22824	0.9
429.16721	0.4
430.17218	0.5
430.22235	0.5
431.18073	5.4
432.19064	2.2
433.19958	2.3
443.18649	0.5
444.19461	0.5
445.19904	4.3
446.20975	5.8
447.21799	9.0
448.22107	0.7
458.21036	0.4
459.17163	0.8
459.21866	1.8
460.18784	0.9
461.19348	1.3
463.21429	0.3
473.19055	0.8
473.24103	0.8
474.20255	4.7
475.21225	6.5
476.22040	0.7
477.22888	0.3
478.23691	0.4
487.21341	2.6
488.21979	0.9
491.20871	1.0
501.22925	2.2
502.23190	0.6
505.21069	0.3
505.26129	0.9
518.22845	0.4
519.20233	0.8
529.22205	0.5
533.25446	14.8
534.25519	0.8
546.22864	0.8
561.24902	20.5
562.24835	1.4
565.28021	0.4
589.24365	1.1
593.27454	3.7
621.27002	100.0
622.27338	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.87503	0.6
53.46958	0.5
54.81931	0.5
71.32590	1.4
139.55418	0.5
261.36673	0.6
310.13565	0.6
334.62787	0.6
343.11569	0.6
388.17038	1.0
389.17746	2.5
390.18085	0.8
391.19547	0.7
401.17963	0.6
402.18585	0.8
403.19345	3.0
404.20001	1.9
405.21060	1.4
415.19540	0.8
416.20108	0.8
417.16959	1.6
417.21463	0.9
418.21701	1.0
419.22458	4.2
420.22946	0.9
431.18726	2.7
431.23413	1.2
432.19208	0.8
445.20676	2.8
446.20886	3.1
447.21823	6.7
459.18207	3.1
460.18893	0.9
461.19711	2.3
473.19778	1.7
474.20297	7.7
475.21271	13.4
477.23294	0.8
487.21280	4.0
488.22205	1.0
501.22839	3.1
505.25937	2.3
519.20129	1.2
529.21777	0.7
533.25726	6.5
561.24939	32.1
562.25574	1.4
589.24921	1.0
593.28174	0.9
621.27045	100.0
622.27191	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.3
53.45285	0.4
54.66714	0.6
55.01831	1.1
55.05454	0.6
57.03387	0.9
58.69161	0.5
61.02873	1.3
65.08084	0.5
70.06532	2.2
70.89478	0.5
70.89816	1.0
72.08150	7.1
73.02859	0.7
77.03898	0.5
79.05431	1.4
81.03352	2.2
83.53472	0.5
84.08092	0.9
85.02897	9.0
86.09653	0.9
87.04403	0.6
89.03877	0.6
89.10748	0.7
90.04656	0.7
91.05474	5.0
93.03358	1.1
93.07006	1.2
95.04917	1.3
97.02897	3.7
98.05978	2.1
99.04404	0.6
103.05460	6.2
104.06174	1.9
105.03357	1.2
105.07023	2.7
106.04108	1.7
107.04944	3.3
109.02851	1.3
111.04363	0.6
111.27927	0.5
115.05447	0.9
115.08674	4.4
117.03361	1.2
118.04103	1.6
119.04935	3.2
121.02805	1.2
121.06488	4.2
123.04379	1.0
123.08034	0.5
125.05941	0.9
127.03889	3.3
127.16392	0.5
130.04108	0.6
131.04919	20.3
132.05707	25.5
133.02840	3.5
133.06508	4.9
134.03584	0.7
135.04352	1.8
136.07495	0.5
137.05927	2.1
139.07494	0.6
145.02846	1.1
145.04860	0.9
146.03720	0.5
147.04388	7.3
148.05196	2.5
149.05963	8.4
151.03822	0.7
151.07513	4.3
153.05472	0.6
153.09064	0.7
154.06168	3.2
155.07010	0.9
159.04414	5.9
160.03914	0.8
160.05190	15.8
161.02309	1.7
161.05991	10.1
162.06677	1.1
163.03897	4.5
163.07492	4.8
164.04655	0.7
165.05452	7.2
167.07030	26.5
173.02383	2.6
173.05939	0.8
175.03853	1.0
176.04709	1.1
176.21606	0.4
177.05457	18.3
178.06129	1.4
179.05418	0.9
179.07016	13.0
179.08536	1.1
180.07799	31.9
181.04959	3.3
181.08551	4.3
181.51411	0.5
182.09355	7.5
187.03894	23.7
188.04353	0.8
189.05428	0.7
191.07016	24.6
192.07800	100.0
193.08539	7.8
199.03860	4.0
205.04720	1.3
207.06500	2.3
208.07225	0.7
209.08084	11.4
209.09912	1.0
210.08890	10.1
217.04976	4.4
219.08049	1.2
232.07100	2.5
233.05908	0.8
234.06827	0.6
235.07520	1.2
247.07585	2.0
249.05411	0.7
250.06310	0.8
251.07190	0.6
252.20731	0.6
261.05536	1.3
263.07083	1.9
265.08630	1.2
275.07031	1.2
278.05789	1.1
279.06528	0.7
280.07428	0.7
281.08081	0.9
283.06113	0.9
289.05029	0.8
291.06577	1.2
293.08078	1.6
295.06241	0.6
296.06436	0.6
307.09384	0.7
308.06729	1.0
309.07645	1.9
311.09235	0.6
321.07584	7.7
322.08173	0.6
323.09262	0.8
325.10846	1.5
335.09113	2.5
341.10141	12.2
341.13779	0.8
343.16525	0.6
353.10196	16.5
371.11243	86.0
372.11163	3.0
378.03278	0.5
381.11905	1.4
395.13245	1.1
441.20493	0.5
442.19101	1.0
459.21249	12.3
460.22141	0.6
473.59229	0.5
515.15863	1.2
533.16907	2.0
604.23969	3.8
621.27063	59.9
622.28076	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	621.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
53.03935	0.9
55.01853	0.6
55.05503	2.1
56.30843	0.3
57.03423	1.4
61.02922	1.2
65.03944	0.3
69.02682	0.4
69.03039	0.5
69.03423	4.9
70.06589	10.1
71.01088	0.7
71.05003	0.5
72.08151	76.0
73.02924	0.4
73.06552	0.3
73.08513	0.8
79.05495	0.3
80.01378	0.6
80.05046	0.3
81.03407	2.3
81.07056	0.5
82.02936	1.2
84.08137	0.6
85.02901	10.1
87.04470	0.7
89.10793	1.9
91.05468	1.1
95.04961	0.4
97.02869	3.1
98.02419	2.0
98.06044	2.0
98.97556	0.5
99.00788	2.8
99.04474	0.9
105.07013	0.4
107.04955	3.0
107.08620	0.4
109.02872	1.0
110.02393	39.8
111.02713	0.4
113.90256	0.3
114.09149	2.1
115.08681	0.5
116.03453	1.2
119.04945	1.9
121.02873	1.1
121.10134	0.4
123.04439	0.3
127.03919	2.3
128.03436	4.2
133.06398	0.4
133.10136	0.8
137.06029	0.3
138.09224	0.3
145.04984	0.3
145.06502	0.8
146.04469	0.3
147.04401	9.5
147.11646	0.4
150.09120	1.5
152.07054	37.2
153.07388	0.5
161.03036	0.5
163.84888	0.3
165.06944	0.3
167.07050	1.1
169.09720	23.5
170.08121	14.7
170.10255	0.3
173.05977	0.6
176.10634	0.4
180.10170	0.7
181.06532	0.8
183.08044	0.3
187.10797	0.8
191.07042	0.6
191.08566	0.5
191.14316	0.7
195.08061	0.5
197.06053	0.6
198.11336	1.0
201.05357	0.3
206.08115	1.2
207.06540	1.3
213.09085	0.8
217.13379	1.3
218.11731	3.1
219.08063	0.9
225.05478	0.7
234.06628	0.4
235.07574	0.7
235.14491	0.6
236.08423	0.7
237.09036	1.6
239.07048	0.5
241.08621	0.8
246.07079	0.3
247.07576	1.5
247.10773	0.4
250.06259	1.0
258.08890	1.9
263.06912	0.7
264.07785	0.7
265.08542	2.2
268.07309	0.4
272.10413	2.8
273.11206	1.0
277.08572	1.1
277.15323	0.6
278.05777	0.8
279.06436	0.6
283.09726	0.9
291.14386	0.4
292.07233	0.8
293.07965	1.5
294.09323	0.3
295.06262	0.3
295.09506	0.3
297.11182	1.2
306.09015	0.7
307.09586	0.6
310.08359	0.8
325.10751	2.9
337.10568	1.6
338.07941	0.4
352.11847	1.2
353.10352	1.0
354.13556	0.9
405.18143	0.4
414.02271	0.3
423.19122	6.7
424.17496	2.1
429.19800	0.4
440.16895	0.4
441.20224	7.0
442.18680	3.7
447.21072	0.4
459.21228	100.0
460.21661	4.4
501.22400	1.2
537.22083	2.1
544.10480	0.3
549.21954	0.7
555.23645	0.4
567.23431	1.3
585.24329	1.8
603.25031	0.4
604.24170	0.5
621.26532	12.4
622.26483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25256	0.6
53.03915	0.9
54.52528	0.7
55.01839	0.7
55.05502	1.8
57.03416	1.7
59.33355	0.6
61.02914	1.5
62.75303	0.7
69.03036	1.3
69.03420	7.1
69.21803	0.6
70.06578	6.7
71.01303	0.8
71.04977	1.4
71.60580	1.0
72.08151	76.5
73.02911	1.1
73.27758	0.7
75.98041	0.6
81.03403	2.9
82.02920	1.7
84.08131	1.6
85.02898	17.6
86.09692	6.2
87.04430	1.3
87.06529	0.6
87.82914	0.8
89.10796	4.8
90.56580	0.7
91.05455	2.4
97.02876	6.9
98.02375	1.7
98.06033	2.6
98.97566	2.4
99.00800	2.0
99.04465	1.1
103.12318	3.1
105.07041	0.9
107.04956	2.7
109.02871	2.2
110.02396	32.4
114.09084	1.6
116.03424	0.9
116.98598	1.0
117.06985	0.7
118.08626	1.4
119.01886	1.9
119.04935	7.6
121.02901	0.9
122.05997	1.1
124.07627	0.7
127.03891	5.4
128.03427	2.7
128.98643	0.9
131.01874	1.6
133.06445	0.9
138.05498	5.3
145.04929	1.9
145.06416	1.2
147.04393	30.4
150.09189	0.9
152.07056	32.4
152.10574	0.8
155.04903	1.1
157.03470	0.8
158.99722	1.0
161.02979	1.6
161.05850	1.2
167.07059	1.8
169.09705	23.4
170.08118	12.2
173.02933	1.7
175.03915	2.8
177.00725	2.1
183.08031	0.7
185.02936	1.9
186.97295	0.7
187.10770	2.3
189.00729	1.2
191.03880	1.3
191.07033	1.1
197.03015	0.9
199.03937	2.6
201.00719	1.1
203.03978	1.3
206.08090	1.1
207.06549	4.0
209.09679	0.8
213.09259	0.8
217.05418	0.8
217.13353	1.6
218.11786	8.9
219.01768	1.9
219.08121	1.2
225.05640	1.0
235.14429	2.8
237.02882	0.9
237.09097	1.4
241.08591	1.7
245.04991	2.6
247.07494	1.2
250.06131	0.7
251.04276	0.7
258.08893	1.3
261.02859	0.9
261.05627	0.8
265.08524	1.8
267.07169	1.2
272.10504	2.6
273.11154	1.4
278.05878	0.9
279.03842	1.8
279.07169	2.3
281.07312	1.4
283.09531	0.8
293.07950	1.6
295.06470	1.6
295.09589	1.0
297.04694	1.5
297.11221	1.0
307.09579	1.1
325.10629	1.2
353.10068	2.5
354.13461	0.9
362.09702	2.4
369.09897	1.3
383.08127	0.9
410.01627	0.7
423.07700	0.8
423.19098	5.7
424.17398	1.7
441.08701	2.2
441.20197	11.1
442.18848	3.3
450.12848	1.5
459.21164	100.0
460.21655	4.0
501.22223	1.2
503.50256	0.8
537.22351	1.4
567.23206	2.1
585.24036	1.1
603.14172	0.9
603.25073	1.4
621.15436	2.5
621.26733	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	621.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01873	0.4
55.05508	0.3
56.94974	0.2
66.92771	0.2
67.05489	0.5
69.03419	0.4
69.07067	0.2
69.99440	1.2
73.64063	0.2
79.05478	0.8
81.03410	0.5
81.07050	0.7
85.02934	0.3
91.05482	1.1
93.07043	0.6
95.04965	1.0
95.08598	0.5
102.49468	0.2
103.05444	1.8
103.72106	0.2
105.07013	3.6
107.04948	11.3
109.06525	0.3
111.04398	0.4
115.05469	0.3
119.04958	1.0
119.08565	0.3
121.02863	0.3
121.06495	2.4
123.04433	4.0
125.05991	0.6
127.03948	0.3
131.04918	46.5
132.05347	0.3
132.05688	0.3
133.06474	3.6
133.10062	0.2
135.04422	0.4
137.05974	5.6
145.06470	1.9
147.04375	1.1
149.05994	1.9
161.05969	15.2
162.06639	0.6
163.07523	0.4
167.07063	0.7
167.08582	0.8
169.04977	0.3
169.06427	0.3
171.08043	0.2
177.05464	0.2
177.07031	0.6
179.03404	1.1
179.08623	0.3
181.06439	0.6
184.08812	0.4
185.09598	0.2
186.92299	0.2
194.07170	0.5
195.08035	3.6
196.08723	0.5
197.04419	1.4
197.05952	0.4
197.09674	0.3
199.11316	0.2
205.06436	0.2
209.09579	0.6
211.07521	0.3
212.08334	1.5
223.07538	1.8
224.08299	3.3
225.05403	0.5
225.08981	0.5
227.07161	0.3
227.10699	4.1
237.09052	0.8
238.09859	0.3
239.07047	1.1
240.07813	4.7
254.01984	0.5
255.10141	100.0
256.10516	2.2
265.05136	0.3
269.04288	0.4
283.05893	0.3
287.05460	2.5
295.06082	0.3
313.07047	2.7
379.11740	0.5
391.11688	0.2
403.08109	1.9
435.10770	4.4
485.15948	2.5
497.15775	0.9
621.17633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99671	0.6
53.03954	0.6
53.90905	0.5
55.01862	1.0
55.05498	1.4
56.05027	0.6
57.03414	0.9
64.01731	0.6
67.05487	1.4
69.07049	1.2
69.70956	3.2
70.06593	3.1
71.04976	3.6
72.08153	3.5
72.14941	0.6
73.02916	0.9
79.05467	2.3
81.03395	2.5
81.07037	2.7
82.06593	1.2
83.04957	1.6
84.08134	3.2
85.02905	7.3
85.06514	1.7
86.06061	0.8
86.09702	0.8
91.05473	2.8
93.07034	2.4
95.04932	1.3
95.08578	2.3
97.02888	3.1
97.06530	1.1
98.06052	0.6
98.09702	0.8
99.04474	1.3
100.07621	3.7
101.06004	0.7
105.07017	2.1
107.04942	1.2
107.08577	1.1
109.02876	2.2
109.06509	1.0
109.10144	1.5
110.02376	3.0
110.03084	0.6
111.04464	0.9
112.07604	0.6
117.07046	0.7
119.04936	2.6
119.08577	1.2
121.02872	4.5
121.06495	1.0
121.10123	1.9
122.05993	0.8
123.04430	1.8
123.08087	0.7
123.11730	0.9
124.07589	1.0
127.03902	4.9
129.05418	1.4
131.04893	0.6
131.08606	1.2
133.06522	0.7
133.10118	1.7
135.04396	0.7
135.08017	0.8
135.11655	0.8
136.07582	1.6
137.02229	0.6
137.05971	2.2
137.09647	0.9
138.09189	0.6
140.07085	1.0
145.02773	0.8
145.04965	0.9
147.04402	6.4
147.11700	1.1
148.04698	0.8
151.03888	0.9
151.07520	3.7
152.07030	1.5
153.01826	2.6
159.08038	0.6
160.07532	1.1
161.05994	1.0
162.09109	0.9
163.03897	0.6
163.07567	0.6
164.07065	1.7
167.07011	6.7
169.09781	1.2
171.02858	0.7
175.03850	0.9
175.07553	0.6
175.14746	0.9
177.05479	1.7
183.06577	0.5
188.07045	1.6
191.07019	0.8
191.14362	0.8
193.05106	0.7
194.04510	2.5
203.03336	0.7
207.06563	2.4
208.06996	0.9
255.06511	1.7
264.46127	0.8
269.08218	1.0
271.05981	22.0
272.06396	3.4
273.07565	1.3
276.17450	0.7
285.07578	0.7
295.06067	1.4
296.06213	0.7
297.07431	1.5
307.05978	0.7
312.08725	5.7
313.09595	4.9
314.10205	5.3
325.07040	1.0
327.08606	1.2
337.06998	0.7
381.10004	0.7
509.68106	0.6
603.25677	0.8
621.19214	100.0
622.19855	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	620.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01866	17.0
55.05510	10.8
57.03423	5.7
57.07080	2.1
61.02913	2.9
61.35977	1.5
67.05497	43.8
69.03425	38.5
69.07060	9.2
70.00420	7.5
71.04984	12.1
72.77360	1.5
73.02911	8.7
79.05486	27.0
81.03412	38.3
81.07048	47.0
83.04974	4.4
83.08605	6.5
84.04472	1.3
85.02904	18.5
85.06548	2.3
91.05474	18.2
93.07034	32.1
95.04958	3.7
95.08595	36.8
97.02888	35.4
97.10181	1.9
99.04447	67.1
101.02368	4.3
105.07034	12.3
107.08592	19.5
109.02871	38.4
109.10152	20.6
111.04425	11.5
117.07017	5.7
119.08553	10.3
121.06527	1.4
121.10114	18.7
123.04430	2.7
123.08034	1.8
123.11683	12.4
127.03905	100.0
129.05460	1.8
131.08554	10.1
133.06477	1.6
133.10141	9.4
135.11674	12.2
137.13261	3.5
143.08595	1.7
145.04968	16.7
145.06049	1.8
145.10127	8.0
147.11688	9.6
149.13239	7.6
151.11201	1.6
151.14778	1.9
159.11673	6.8
161.13239	7.6
163.11227	1.4
163.14864	2.5
165.12764	1.7
167.06992	1.7
171.11722	2.4
173.13293	6.0
175.14772	2.0
179.14270	1.4
186.38055	1.3
187.14850	3.5
202.59773	1.5
205.15904	1.5
233.82205	1.5
241.19615	1.9
243.21082	5.7
259.20514	7.3
261.22128	23.0
271.08932	1.3
273.22165	1.3
277.21640	10.4
279.23227	3.6
283.01889	4.0
301.21649	1.2
303.23105	1.6
325.34814	1.7
333.24316	1.8
357.24213	2.3
369.24060	7.5
387.25287	5.7
405.26321	12.0
423.27405	66.7
424.28021	1.4
520.33984	1.3
539.44031	1.5
590.37354	1.5
620.27606	2.0
620.38159	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	619.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
54.47576	0.6
55.01845	2.0
55.05490	2.0
57.03441	4.2
65.03938	0.8
67.05501	8.7
68.99776	2.8
69.03416	1.3
69.07062	10.6
71.63896	1.0
79.05482	6.3
81.03412	1.0
81.07056	10.9
83.04971	1.0
83.08599	1.1
85.02888	0.9
91.05458	5.8
93.07035	6.2
94.40588	0.6
95.04964	6.3
95.08600	8.0
95.67398	0.8
97.06516	1.2
101.30304	0.7
103.05457	0.6
105.07035	6.1
107.04927	3.0
107.08582	4.3
109.06512	1.4
109.10117	3.6
115.05418	0.8
117.07009	3.0
119.04910	1.3
119.08601	4.8
121.06512	3.0
121.10132	3.0
123.04417	100.0
127.03889	0.8
129.06992	1.8
131.04919	0.8
131.08574	3.2
133.06490	4.1
133.10117	2.9
135.04404	11.9
135.08055	1.5
135.11664	0.7
137.02345	2.6
137.05960	26.5
141.14026	0.6
142.07744	0.8
143.08583	1.8
145.06448	2.2
145.10115	2.0
147.04390	4.7
147.08064	2.5
147.11656	1.3
148.05209	0.8
149.05965	17.4
149.09622	2.4
149.13272	1.0
151.07481	1.0
155.08537	1.6
159.04410	2.4
159.08015	2.3
159.11710	1.6
160.05235	0.9
161.05968	15.2
161.09570	2.1
161.13245	1.3
163.07533	20.0
165.09085	1.3
167.08493	0.7
169.10109	0.8
171.07970	2.5
173.05965	6.6
173.09541	3.5
174.06763	1.3
175.07547	12.8
177.09106	9.6
183.08092	1.1
185.05992	2.3
185.09538	1.2
187.07552	4.8
187.14662	0.9
189.09106	16.2
191.10654	31.3
193.08583	9.4
199.07558	2.6
199.11165	1.1
201.09085	10.7
203.10623	6.1
209.09720	0.9
213.09061	3.1
215.10655	10.8
217.08707	0.8
217.12233	5.5
219.10080	5.2
221.15271	0.9
223.16928	1.6
225.09073	1.1
227.10590	6.1
229.12141	1.6
231.10181	1.4
231.13797	10.3
233.11703	4.5
239.10562	0.9
241.12206	2.1
243.13800	2.6
245.11778	4.4
255.13792	1.2
257.11752	1.0
259.13510	1.1
267.13635	1.0
269.15332	3.6
271.09686	4.3
271.16946	2.5
275.20151	2.8
283.09671	1.5
283.16943	1.5
287.16406	4.4
295.09637	1.0
295.16943	0.9
297.18402	1.0
301.17801	1.5
309.18576	0.8
311.12781	2.8
313.14316	10.9
323.12885	1.8
336.13162	0.9
337.14301	6.0
339.15955	3.2
341.13806	28.3
346.12833	1.0
349.14459	3.1
355.15469	0.8
363.15717	1.7
365.17474	2.4
367.15265	15.5
379.19086	4.5
379.23099	0.9
391.18875	1.4
395.18085	1.0
397.19913	1.4
405.20557	6.4
409.23941	0.9
415.24835	7.3
423.21573	2.4
427.24612	2.0
429.26166	1.0
441.26425	2.1
465.23175	1.0
465.30167	1.3
479.31555	1.1
483.31058	12.6
497.32620	6.7
505.25339	1.1
509.32660	1.1
533.28632	0.9
545.28937	9.6
563.30035	31.5
601.11127	1.3
601.35065	9.1
619.12354	5.1
619.36041	3.2
620.12097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
55.01858	0.2
55.05497	0.3
61.02900	0.1
65.03923	0.2
67.05482	0.5
69.03423	0.8
70.06595	0.9
71.04957	0.2
71.62758	0.3
72.08159	1.1
77.03940	0.1
78.04707	1.3
79.05478	1.1
81.03397	0.5
81.07047	0.4
83.04971	1.0
84.04488	0.3
84.08125	0.5
85.02900	1.2
86.09704	0.4
87.04443	0.2
89.02375	0.2
91.05452	1.0
93.07028	0.5
94.04181	0.2
95.04967	0.8
96.05777	0.2
97.02896	0.6
97.06497	0.2
99.04432	0.2
101.06011	0.6
101.07085	0.1
103.05468	0.5
105.06401	0.2
105.06992	1.0
106.04172	0.7
107.04948	1.2
107.08582	0.2
109.02860	0.6
109.06513	0.5
109.10140	0.2
110.02346	0.4
111.04420	0.2
113.05215	0.3
113.05996	5.3
114.10253	0.3
115.03933	0.1
115.05444	0.2
117.07027	0.2
119.04948	0.7
119.08561	0.3
120.08109	0.2
121.06508	0.6
121.10142	0.3
123.04417	3.6
124.05207	1.5
125.05962	0.2
127.03900	1.4
129.06966	0.4
131.04939	0.7
131.07021	0.6
131.08566	0.3
133.06406	0.6
133.10124	0.3
134.03633	0.3
135.04396	0.4
136.03877	0.1
137.02382	0.1
137.05959	2.8
141.06949	0.2
145.02809	0.4
145.05003	0.3
145.06424	0.3
147.04384	1.8
148.04854	0.2
148.07585	0.2
149.05939	0.9
151.03886	0.9
151.07536	0.2
152.04684	1.1
152.07045	0.2
153.05324	0.1
155.07007	0.1
157.06487	0.9
159.08031	0.3
159.11671	0.2
161.05991	1.0
163.03917	0.9
163.07529	0.3
166.06332	0.2
167.07021	100.0
168.07445	0.6
174.06731	0.2
175.03879	0.5
175.07494	0.9
177.05516	0.5
178.08551	0.2
179.07001	0.4
179.08464	0.1
181.08597	0.8
185.04219	0.2
187.07516	0.6
189.09093	0.6
191.14391	0.1
192.07936	0.1
193.08591	3.8
199.07483	0.2
201.09021	0.3
205.08598	0.2
207.06517	0.7
207.10162	0.3
209.15344	0.2
211.09639	5.7
211.72563	0.1
215.06993	0.2
217.08545	0.2
219.10170	0.5
227.07022	0.1
229.15448	0.2
231.14902	0.3
233.16368	0.2
237.11194	0.3
245.05272	0.1
249.11230	0.2
251.10675	0.3
263.81339	0.1
267.12280	0.7
279.10229	0.3
289.10800	0.2
291.10327	0.2
311.12772	0.5
315.13373	0.8
323.12845	0.3
337.06796	0.2
347.09457	1.1
457.10211	0.2
497.87796	0.1
601.24414	0.4
619.16180	6.9
619.27930	1.6
620.16791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01842	0.6
55.05492	0.5
57.03430	1.4
59.04971	0.3
61.02884	0.7
65.03924	0.2
67.05510	1.1
69.03423	5.1
69.06715	0.2
69.07061	1.8
70.06556	0.8
71.01349	0.2
71.04971	0.6
71.62330	0.2
72.08148	1.2
73.02879	0.9
79.01183	0.2
79.05444	0.7
81.03413	2.0
81.07042	1.6
83.04950	0.5
83.08598	0.3
85.02898	9.8
85.03416	0.5
85.06499	0.3
87.00768	0.2
87.04453	1.2
89.03900	0.3
91.03927	0.4
91.05436	0.8
93.07001	1.0
95.04923	0.7
95.08587	1.0
97.02883	3.4
97.06487	0.2
98.06033	0.4
99.04418	0.8
101.02326	0.3
105.06986	1.0
107.04890	0.4
107.08546	0.8
109.02865	1.9
109.06484	0.4
109.10117	1.0
115.03867	0.3
117.03333	0.9
119.04832	0.2
119.08542	0.5
121.06471	0.5
121.10114	0.9
121.48119	0.2
123.04420	3.5
123.11707	0.4
127.03917	2.7
129.06999	0.2
131.04839	0.3
131.08522	0.6
133.04865	0.2
133.10083	0.7
134.03662	0.5
135.04358	0.5
135.08046	0.3
135.11655	0.5
137.05940	0.7
137.09573	0.3
143.08536	0.3
145.04906	1.0
145.06432	0.3
145.10028	0.3
147.04388	1.1
147.08057	0.3
147.11612	0.5
149.05949	1.6
149.13245	0.3
151.03856	0.6
151.07515	0.3
153.06990	0.2
153.09012	0.2
154.76260	0.2
159.11525	0.3
161.05960	0.6
161.09622	0.4
161.13254	0.3
163.07513	0.3
163.11122	0.5
163.14749	0.3
167.07022	1.7
167.08321	0.3
173.05977	0.5
175.03894	0.6
175.07469	0.2
177.01935	0.3
181.06442	0.3
189.09087	1.2
191.10617	0.7
191.14284	0.4
195.02899	1.1
197.05901	0.2
201.09010	0.6
203.10535	0.5
207.06409	0.4
209.15428	0.4
213.05409	0.5
213.09138	0.3
215.10666	0.2
217.04849	0.3
226.23392	0.3
228.04219	0.2
231.10083	0.4
237.05473	0.5
241.04974	1.2
253.04993	1.6
254.05673	0.9
255.06471	1.2
265.04953	0.6
265.08670	0.4
267.06540	0.6
269.08011	0.4
277.08585	0.3
281.04434	0.4
282.05176	0.9
283.05963	0.5
293.04382	1.0
293.07974	0.6
294.05209	0.4
294.08740	0.3
295.05951	0.6
296.06555	0.3
297.07559	0.8
298.04849	0.5
298.08188	0.3
299.05637	0.3
307.06036	0.4
309.04105	0.3
309.07526	1.0
309.11316	0.6
310.04694	24.3
311.05377	1.4
311.08698	0.4
313.07104	1.9
321.07492	0.3
322.08325	1.1
323.05615	0.7
323.09009	0.5
324.06308	4.1
325.07028	100.0
326.07355	2.2
332.06693	0.4
337.06937	0.5
337.10730	0.8
337.14316	0.4
339.08612	10.8
340.08936	0.2
347.09055	0.6
349.07092	0.4
350.07846	8.1
353.26816	0.3
363.08646	0.5
365.10168	16.2
366.10309	0.5
367.08099	1.2
367.15469	1.4
371.10822	0.4
375.08936	0.3
381.13336	8.1
383.11221	34.5
384.11606	0.6
395.14868	2.1
401.12277	8.1
407.11218	0.4
417.09146	0.4
417.13895	0.4
421.16422	4.1
422.16785	0.3
425.12012	0.4
435.14499	1.0
439.17502	14.8
440.18317	0.3
457.18549	25.9
458.18808	0.5
462.95364	0.3
473.16202	0.4
475.10223	0.5
485.15900	0.2
487.12283	1.2
499.14444	0.3
501.13867	0.3
508.07724	0.2
527.15204	0.6
531.16736	0.4
543.18439	4.1
545.16479	10.6
545.24847	0.5
563.17548	11.1
564.17639	0.3
583.21600	1.8
601.22827	5.5
604.20953	0.6
619.24200	10.7
639.64026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.3
55.01829	0.5
55.05471	0.3
57.03436	0.9
59.37912	0.1
59.95200	0.1
61.02924	0.8
65.03909	0.2
67.05501	0.6
68.99771	0.2
69.03426	3.7
69.07039	0.3
71.01316	0.2
71.02337	0.1
71.02661	0.2
71.04957	0.2
72.18983	0.1
73.02917	0.8
74.88951	0.1
78.74542	0.1
79.05446	0.3
81.03408	1.4
81.07005	0.4
83.04954	0.1
85.02899	7.2
85.06522	0.2
87.00796	0.1
87.04463	0.6
91.03913	0.2
91.05470	1.3
93.06989	0.3
95.04906	0.4
95.08601	0.6
97.02885	2.1
99.04440	0.6
101.02320	0.2
105.06953	0.3
107.04932	0.2
107.08540	0.4
109.02871	1.1
109.06454	0.3
109.10127	0.3
117.03366	0.2
119.04936	0.7
119.08556	0.2
121.02822	0.2
121.10085	0.4
123.04359	0.4
123.08023	0.1
125.05954	0.1
125.37268	0.1
127.03071	0.1
127.03910	1.9
131.04927	0.1
131.08478	0.2
133.10062	0.4
134.03537	0.3
135.04436	0.2
135.11613	0.1
137.05934	0.2
141.05383	0.3
145.04942	0.7
145.10014	0.2
147.03372	0.2
147.04410	2.1
147.11623	0.3
149.09583	0.2
149.13153	0.1
151.03851	0.5
151.07477	0.2
153.05396	0.3
161.80745	0.1
163.07529	0.1
165.05460	1.0
165.09019	0.1
167.07054	0.6
167.08401	0.1
173.13231	0.1
175.03893	0.3
178.02502	0.1
181.04961	0.2
181.06445	0.1
187.03827	0.1
187.07498	0.1
189.09186	0.1
191.03381	1.0
191.14200	0.2
195.08060	0.2
207.08118	0.1
207.10130	0.2
209.04454	1.2
209.15286	0.3
211.07603	0.1
223.07486	0.4
225.05360	0.1
234.98839	0.1
239.06932	0.6
240.07758	0.4
241.04950	0.1
250.06218	0.2
251.06981	0.4
267.06558	1.0
268.07315	0.6
271.96683	0.1
278.05679	0.3
279.06458	0.5
283.06418	0.1
283.09665	0.3
285.07626	0.2
293.08096	0.2
295.05972	1.5
296.06769	2.4
297.07291	0.2
306.05164	0.5
306.89627	0.1
307.05875	0.4
309.07535	0.4
310.04987	0.1
311.05673	0.2
311.09113	1.8
312.06256	0.2
321.07513	0.9
322.08224	0.1
323.05475	1.6
323.08994	0.3
324.06253	32.4
325.06686	0.7
327.08655	1.5
327.12164	0.2
337.07080	1.2
338.07751	0.3
339.08603	100.0
340.08893	1.1
345.09650	2.0
349.10638	0.2
353.10168	0.3
357.09653	34.9
358.09750	0.2
363.08701	0.2
381.09586	1.7
399.10379	0.2
403.28647	0.2
405.09628	0.2
421.29608	0.2
439.17529	5.2
439.30130	0.2
457.18558	22.7
458.19043	0.3
483.13214	0.2
501.13892	3.7
519.14972	18.1
601.22748	1.4
619.23767	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	618.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46090	0.1
53.03956	0.2
55.01865	0.2
55.05505	0.2
67.05509	0.2
68.35151	0.1
69.03424	0.5
69.07047	0.1
70.06583	0.5
71.04989	0.2
71.62537	0.2
72.08137	0.3
78.04720	0.8
79.05495	0.7
81.03407	0.5
81.07066	0.2
84.08138	0.6
85.02899	1.4
91.05482	0.8
93.07047	0.2
95.04965	0.5
95.08568	0.1
96.05728	0.1
97.02879	0.5
98.09685	0.2
101.06039	0.2
103.05477	0.2
105.07004	0.9
106.04177	0.5
107.04963	1.0
107.08532	0.2
109.02874	0.4
115.05396	0.2
119.04961	0.3
119.08643	0.1
121.02885	0.3
121.06490	0.5
122.03621	0.2
123.04422	2.1
124.05193	0.9
127.03939	0.6
128.10672	0.3
133.06540	0.7
134.03616	0.1
135.04378	0.2
137.05980	0.7
140.07059	0.2
145.02831	0.1
145.04919	0.2
146.08134	0.1
147.04401	1.1
149.05975	0.9
149.09621	0.1
151.03922	0.4
151.07539	0.3
152.04654	0.9
161.05977	0.7
162.09108	0.1
163.03906	0.2
165.09108	0.2
166.06224	0.2
167.07030	100.0
168.07388	0.4
175.03835	0.3
177.05502	0.5
179.06958	0.4
180.08768	0.2
180.10191	0.3
181.08603	1.2
193.06798	0.3
193.08600	5.6
206.04581	0.1
207.06471	0.4
209.08029	1.0
211.09642	23.7
212.10008	0.1
229.10669	0.6
243.11125	0.2
251.09233	0.2
255.11195	0.3
283.05923	0.3
295.06012	0.1
312.05847	0.1
313.07056	0.2
315.13275	0.4
325.07065	0.1
357.14706	0.2
362.09891	0.1
384.52515	0.1
417.16571	0.2
459.17352	0.4
470.72229	0.1
472.12256	0.4
477.18698	1.9
519.35162	0.1
618.25275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3652
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
55.05492	1.2
56.96550	1.2
57.03429	1.0
67.05498	3.4
69.03391	0.5
69.07050	1.8
69.91916	0.5
70.84180	0.5
70.84534	1.7
71.04958	0.8
71.06893	0.5
79.05497	2.7
81.07051	6.2
83.04980	0.7
83.08624	1.2
85.06528	0.6
91.05467	3.5
93.07030	3.6
95.04977	1.0
95.08595	3.0
97.06530	0.7
98.97557	0.6
105.07018	3.7
107.08576	2.5
109.06487	1.0
109.10149	1.3
111.08078	0.6
116.98581	0.9
117.07034	0.8
119.08579	2.6
121.10123	2.8
122.10519	0.5
123.08055	0.7
123.11705	1.0
125.98476	0.4
129.07036	0.5
131.08537	1.7
131.10635	0.5
133.10143	2.2
135.08009	0.5
135.11714	0.9
137.09509	0.5
139.68080	0.6
143.08519	0.7
145.10124	1.5
147.11700	3.3
149.09572	0.5
151.07492	1.0
157.10110	1.1
158.99741	0.5
159.11673	0.8
163.11116	0.8
165.09198	0.8
165.12688	0.8
167.02296	0.7
167.10669	0.9
169.10184	0.8
171.11711	0.6
173.13202	0.8
177.00703	0.9
181.12236	1.2
183.11705	0.9
185.13243	0.8
221.15404	1.7
236.21387	0.5
247.12991	0.9
251.12590	1.1
269.12137	0.8
293.86819	0.6
303.15826	0.8
307.15024	1.9
315.19101	0.9
317.18158	0.5
318.18253	1.2
333.20334	7.6
339.18298	0.5
389.23016	3.6
529.30786	0.9
531.29218	1.0
554.26801	1.2
599.20697	0.6
599.34821	2.5
617.36401	100.0
618.36554	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	617.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.1
55.01829	0.9
55.05476	0.8
57.03393	0.9
61.02873	1.3
67.05447	1.3
69.03423	5.4
69.06992	0.4
69.72619	2.6
70.37717	0.4
71.04962	0.6
73.02854	1.1
79.05457	0.9
81.03404	1.9
81.06995	1.4
85.02901	7.1
87.04414	1.3
91.03913	0.4
91.05421	0.6
93.07043	0.6
95.04910	0.8
95.08543	1.1
97.02888	3.2
99.04395	1.0
105.07003	0.8
107.08530	0.8
109.02803	1.4
109.06474	0.5
109.10123	0.6
115.27996	0.3
117.06940	0.7
119.04886	0.9
119.08504	0.4
121.02756	0.8
121.10110	0.6
122.57449	0.4
123.04435	2.8
127.03943	2.4
129.06927	0.5
131.08499	0.5
133.10037	0.6
135.04425	0.5
137.01529	0.3
137.02328	3.7
143.08411	0.6
145.06488	0.4
147.04367	0.8
149.02243	1.2
151.03902	2.0
155.08427	0.6
155.58521	0.3
157.06436	0.4
159.04416	0.9
159.87430	0.4
161.02316	0.7
161.05983	0.4
169.06435	0.9
171.08026	0.6
179.03297	0.4
183.08147	0.5
184.05138	0.4
185.05853	0.8
187.03944	0.6
187.07494	1.3
189.05396	0.7
193.10112	0.5
197.05925	1.0
199.07451	0.7
203.06985	0.6
208.08759	0.4
209.09636	0.6
211.07434	0.9
213.05440	4.5
213.08899	0.4
215.07008	0.5
223.07462	0.5
225.05475	1.0
225.08977	0.7
226.09885	0.4
231.06445	1.0
237.09077	0.7
239.07094	0.5
239.10747	0.4
245.09619	0.9
249.09077	0.6
253.08543	0.6
257.09589	0.5
261.92282	0.4
263.10709	0.6
267.06500	1.5
267.10110	1.2
273.09006	0.6
277.08337	0.4
283.06064	0.7
288.11053	0.5
290.09439	0.7
293.08023	0.7
295.05960	0.8
297.07520	3.2
301.08578	0.5
302.09009	0.4
303.10138	0.7
305.08044	1.1
307.06079	0.6
309.07556	0.5
310.04785	0.5
311.05487	5.4
313.08310	0.3
315.10165	0.4
319.09653	2.6
321.07474	1.4
321.11087	0.4
322.08310	0.7
323.05579	2.3
323.08969	0.7
325.06888	2.3
327.04984	0.9
330.08804	0.6
331.09515	1.0
333.07474	1.2
334.08353	1.2
335.05359	0.5
335.09097	1.7
337.07172	3.4
337.10712	0.8
339.08530	0.6
341.07507	0.4
343.09564	0.9
347.09128	10.6
349.06985	0.9
349.10754	1.5
350.07983	1.0
351.08386	0.5
351.12204	1.6
353.10220	0.9
357.11197	0.6
359.09109	3.7
361.06927	0.9
361.10718	1.5
362.07471	0.6
363.08575	1.6
364.09326	1.0
365.10168	24.3
369.13565	2.6
371.08902	3.1
372.10257	0.6
373.10367	0.9
373.14404	1.2
375.08279	0.6
375.12277	1.4
377.10040	5.0
377.13922	0.6
379.11557	0.9
383.12735	2.2
385.10739	1.4
386.11642	2.0
389.10126	1.5
391.11462	1.1
391.15503	1.2
401.08939	0.8
401.13840	11.0
403.11752	2.4
404.12439	1.4
418.13953	0.9
419.14859	100.0
420.15207	0.9
437.15991	3.9
455.17017	0.6
461.16141	1.4
527.15448	6.0
545.16498	3.1
581.20123	87.8
582.20251	1.2
599.21179	30.9
617.21973	2.1
617.35010	0.6
617.45807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00270	0.4
53.03874	0.5
55.05453	0.8
59.04912	1.5
61.02850	0.7
65.03864	0.4
67.05402	1.3
67.05751	0.6
68.99731	0.5
69.03332	2.4
69.07007	0.6
69.56287	2.8
69.56711	0.7
71.04925	0.4
79.05421	0.5
81.03316	1.7
81.03752	0.5
81.06956	1.9
83.01253	0.6
85.02799	3.8
91.05402	0.8
93.03305	0.5
93.06933	1.2
95.04887	0.5
95.08593	1.8
96.77263	0.3
97.02886	2.6
99.04353	0.4
105.06928	1.4
107.04887	0.9
107.08485	1.4
109.02880	2.5
109.06419	0.8
109.10047	1.2
115.05354	0.5
119.04872	0.5
119.08495	0.9
121.02770	0.6
121.06422	0.7
121.10102	0.7
123.04414	1.9
123.07980	0.6
123.11590	0.7
127.03906	2.3
131.08492	0.8
133.10028	1.1
135.04282	1.4
135.07973	0.4
135.11588	0.4
137.02203	1.6
137.09491	0.6
141.01685	0.4
143.08438	0.6
145.04857	0.7
147.04283	1.0
147.11565	0.5
149.05891	0.8
149.09529	0.9
149.13266	0.4
151.03806	0.6
151.07495	0.8
159.08087	0.4
159.11627	0.6
161.02197	1.1
161.05852	0.6
161.13228	0.6
165.01720	0.9
165.05467	0.4
167.06931	1.7
171.11644	0.4
177.01680	0.9
177.05424	0.8
179.03288	0.6
183.02812	0.8
189.01807	4.0
189.12633	0.6
191.03264	0.8
193.01268	1.8
195.02850	2.7
197.09308	0.4
205.04916	1.7
207.01105	0.6
207.02872	6.3
207.06265	0.4
207.13718	1.0
209.00697	1.5
211.02354	4.4
215.10565	0.6
219.06424	0.7
223.05940	1.3
225.03700	0.5
227.01654	0.9
229.04951	0.5
235.02301	0.9
237.07420	0.8
271.05844	0.5
281.04395	0.5
283.05948	0.8
284.06726	1.1
293.04361	0.7
295.05978	2.9
299.02292	0.7
299.05487	8.6
299.08878	0.6
305.04367	3.1
307.02213	1.1
309.03775	1.5
309.07086	0.5
311.05472	15.5
312.06161	1.4
313.06946	2.2
318.80151	0.4
321.07471	1.5
323.05475	26.6
324.06110	0.7
325.03458	19.4
325.07001	3.2
326.03867	0.6
327.04956	82.9
334.08813	0.4
335.08948	0.7
337.07071	0.4
339.08585	36.0
340.08786	0.7
341.06509	11.1
343.04471	4.3
347.09134	0.5
351.12115	2.1
351.15845	0.7
353.10138	8.1
363.08798	0.4
365.10172	1.4
367.11740	2.4
368.12228	2.8
369.12515	3.7
379.11768	9.6
381.09445	4.2
393.13251	0.8
399.10693	31.6
437.16040	2.2
455.16864	4.9
460.18701	0.6
485.11035	0.6
489.10153	2.1
501.13995	1.5
513.16669	0.4
543.14960	0.5
561.15985	100.0
562.16595	0.6
573.18378	1.8
581.20258	0.5
599.20929	0.6
602.71118	0.4
617.22559	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01848	0.5
55.05479	0.9
57.03388	1.4
61.02915	2.1
67.05460	1.3
69.03426	4.5
69.07021	1.1
70.06557	0.4
71.01321	0.4
71.04970	0.7
71.29841	0.4
72.08109	1.3
73.02866	1.2
74.61672	0.3
79.05453	0.8
81.03407	2.8
81.07053	1.9
83.01274	0.4
83.04929	0.5
85.02898	9.7
87.04408	1.2
91.03897	1.0
91.05456	0.7
93.06985	1.2
95.04914	0.6
95.08569	1.4
97.02898	3.3
98.06115	0.3
99.04418	0.9
101.02349	0.6
103.99532	0.3
105.07000	1.1
107.04855	0.4
107.08564	0.6
109.02877	1.7
109.06491	0.4
109.10102	1.1
114.10258	0.4
117.06954	0.4
119.04909	0.4
119.08544	1.0
121.10088	0.8
123.04392	0.6
127.03906	3.0
133.10072	1.0
134.03575	0.4
135.11644	0.4
137.05922	0.8
145.04900	1.4
145.10036	0.7
147.04361	1.5
147.11655	0.6
149.05904	0.4
151.03876	0.7
151.05348	0.3
152.08353	0.4
153.01744	0.6
167.06985	1.4
173.27682	0.4
175.14772	0.3
181.01271	0.4
182.87790	0.4
192.04161	0.4
192.07729	0.5
210.01494	0.5
229.05124	0.3
230.05687	0.4
233.01581	0.3
244.07196	0.5
271.05954	0.8
277.33945	0.3
286.04721	1.1
297.03983	0.6
298.04721	0.5
299.05383	2.7
300.06000	0.6
301.07034	0.9
309.03894	0.5
309.07309	0.5
310.04578	0.4
311.05487	0.8
313.03424	0.4
313.06915	1.4
314.04184	23.5
315.04648	1.0
316.05905	0.8
317.06512	2.1
324.06238	1.6
325.06863	0.8
326.04147	0.6
327.04968	3.0
328.05679	4.8
329.06528	78.1
330.06931	2.6
339.08600	3.7
341.06555	7.3
353.06351	0.4
357.09708	1.1
363.08566	0.4
367.11761	1.0
369.09552	0.8
369.13397	1.5
371.07578	1.4
371.11304	1.2
383.11365	0.8
384.11923	2.1
385.12878	4.1
397.12714	0.5
399.10617	0.5
409.77081	0.4
413.15952	2.7
437.16129	0.5
455.16992	100.0
456.17468	4.3
497.18320	0.7
536.33899	1.0
610.82648	0.4
615.40448	0.4
617.22394	7.9
618.22418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01845	1.7
55.05481	1.7
57.03445	2.1
61.02895	1.3
66.41199	0.4
67.05499	3.6
68.99762	0.7
69.03428	7.9
69.07028	1.7
70.06556	0.7
70.27028	2.0
71.04976	1.1
72.08117	1.0
73.02882	1.4
73.10469	0.4
79.05460	1.8
81.02974	0.7
81.03408	9.2
81.05058	0.4
81.07051	3.4
83.04962	0.9
83.08576	0.8
84.08116	0.5
85.02900	12.2
85.06519	0.8
87.00819	3.0
87.04444	0.7
91.05432	1.5
91.35847	0.4
92.06993	0.6
93.07038	2.7
95.04928	1.3
95.08588	2.1
97.02883	5.6
97.06502	0.7
99.04444	2.7
100.11240	2.6
103.03907	0.5
103.05434	0.5
105.01849	1.8
105.07023	2.4
107.04939	1.2
107.08549	2.0
109.02209	0.6
109.02873	6.2
109.06484	0.8
109.10136	1.5
111.08073	0.5
115.03925	0.5
117.07002	0.5
119.04892	1.3
119.08558	2.1
119.24663	0.4
121.02858	4.1
121.06495	0.9
121.10104	1.8
123.04387	1.5
123.08019	0.7
123.11709	1.0
127.03915	7.3
129.01770	0.6
129.06926	0.5
131.08563	1.2
133.02773	0.6
133.10086	1.9
135.11656	1.5
137.02292	1.5
137.05983	0.9
137.09581	0.6
139.03853	1.3
139.08539	0.5
143.08508	0.7
145.04921	1.4
145.06445	0.5
145.10072	2.0
147.04378	1.8
147.11679	1.0
149.02304	1.5
149.05890	0.7
149.09595	1.0
149.13190	0.6
151.03865	0.8
151.07530	0.5
153.05429	0.5
153.06912	0.8
155.08513	1.1
157.10132	0.8
159.02827	2.0
159.04276	0.7
159.07944	0.4
159.11594	0.8
161.13255	0.8
163.03909	0.9
163.11148	0.5
165.05545	0.5
165.06998	1.5
165.08987	0.5
167.03383	0.8
167.06985	1.8
175.03929	0.5
175.07494	0.5
175.14865	0.7
177.05449	0.5
177.09001	0.5
177.12712	0.4
180.50540	0.4
182.15387	0.8
183.08017	1.5
187.07541	0.6
187.11330	0.4
187.14851	0.5
189.05447	0.6
189.16339	0.5
191.65929	0.5
198.78259	0.4
203.17929	0.5
205.05011	0.5
207.06491	0.6
207.13719	0.7
211.07544	2.4
213.05476	1.2
213.09077	0.8
225.09013	0.6
225.29385	0.5
239.07013	3.2
245.09624	0.6
247.20676	0.8
251.06905	0.8
254.05827	0.7
255.06528	0.5
261.12283	0.5
264.23132	1.6
267.06512	39.1
268.06866	0.7
269.08160	0.6
274.09888	0.5
277.11591	0.4
279.06473	0.5
281.07999	1.5
282.05191	2.3
283.06030	2.4
285.07660	2.3
290.09293	0.6
294.05191	0.6
295.06052	2.5
297.07562	100.0
298.07889	1.6
305.08032	1.1
307.05988	2.4
307.09329	0.7
309.07538	4.1
309.10974	1.0
310.04727	1.0
311.05450	3.6
311.09183	2.3
313.07150	1.2
318.08853	1.2
319.09607	1.3
320.31039	0.5
321.07629	3.4
322.08194	0.7
323.05453	1.0
323.09189	1.5
325.03439	0.8
325.07013	4.4
327.04980	2.5
327.08234	0.5
333.11176	4.1
335.09128	1.4
336.09930	1.5
337.06992	1.0
337.10785	0.5
339.08661	0.8
339.12244	2.7
347.08963	2.7
349.10611	1.0
351.12259	64.5
352.12561	1.1
353.10068	0.7
353.13916	0.6
359.08942	0.5
361.10892	1.0
363.08487	0.7
363.12488	0.5
365.10202	6.6
367.11621	0.7
369.13324	81.8
370.13586	0.9
371.09113	0.6
373.28314	0.6
377.10031	1.3
379.11752	6.5
381.13321	2.7
383.12219	0.6
390.31210	0.5
393.13257	1.4
401.13794	2.4
403.11765	0.6
419.14893	20.1
419.31677	0.5
437.15878	1.8
441.13617	0.7
455.16788	1.2
459.14572	1.2
489.11191	0.5
513.17407	2.2
527.15558	1.3
545.16840	0.6
555.18481	2.0
561.15765	1.3
581.20245	18.0
599.20483	6.7
617.22498	3.0
617.35028	1.8
617.46259	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	616.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
67.05502	1.8
69.07063	1.3
69.70378	3.7
69.70802	3.4
70.18529	1.1
73.74955	1.0
77.03944	1.2
79.05483	4.5
81.07059	1.6
87.04445	1.4
89.06027	65.3
91.05460	4.1
93.07031	2.1
95.04965	2.7
95.08580	1.9
97.76804	1.0
98.21510	1.2
103.05445	8.0
104.01327	1.0
105.07025	100.0
106.07292	1.1
107.07054	4.3
107.08604	2.3
107.91736	1.1
109.10126	1.2
119.08555	2.1
121.10108	2.2
123.95300	1.0
124.38084	1.0
129.07001	1.3
130.08630	4.3
131.08574	1.1
133.08592	11.7
133.10107	1.7
137.09552	1.3
142.48424	1.0
145.10136	1.7
147.07875	1.2
149.02316	1.3
162.03102	1.1
164.81659	1.1
167.10663	1.5
171.08009	1.4
177.11226	21.2
193.10048	1.1
207.08023	2.1
207.11736	5.3
209.13266	1.2
221.15388	1.9
223.11092	2.6
249.12730	16.3
257.16544	1.1
301.15829	2.6
308.84564	1.3
327.17429	15.2
373.20020	9.6
394.80133	1.3
405.22092	42.4
422.96027	1.3
463.24634	2.1
477.26392	60.9
483.12442	1.8
497.14066	1.6
498.14975	5.5
557.15900	5.7
581.32623	51.7
596.10504	4.7
596.60760	2.2
598.39233	2.6
616.17627	9.7
616.40503	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	616.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01871	2.5
55.05510	2.4
56.05016	0.5
57.03431	1.0
58.06589	0.9
60.04521	0.5
61.02924	0.9
61.26793	0.5
65.03932	2.9
67.05489	1.4
69.03430	3.4
69.07058	0.8
70.06584	5.3
71.04996	4.6
71.62769	0.7
72.07797	0.6
72.08153	8.2
73.02888	0.8
73.68241	0.5
74.30959	0.4
75.04465	3.4
78.04700	2.0
79.05497	3.4
81.03433	2.8
81.07051	1.3
82.06568	0.6
82.79829	0.5
83.04970	1.6
84.04478	1.1
84.08138	6.7
85.02897	13.1
85.06541	0.9
85.31850	0.5
86.03214	0.7
86.06055	1.0
86.09702	1.9
87.04466	1.1
88.03989	0.5
89.03898	1.3
89.06033	1.4
89.10797	1.2
91.05473	14.6
93.03403	10.5
93.07034	5.9
95.04968	5.2
95.08569	0.9
97.02883	5.3
97.06528	3.5
98.06049	0.9
98.09689	0.7
99.04458	1.2
101.06015	3.0
103.05460	8.2
105.03380	0.7
105.07029	9.8
106.04166	23.5
107.04967	3.4
107.08576	1.7
109.02869	2.0
109.06498	1.6
109.10135	0.9
109.21756	0.4
110.02414	0.7
110.07105	0.7
111.04416	1.7
111.08073	0.5
114.10265	0.7
115.05429	1.6
115.08656	0.8
116.07040	0.6
117.03354	1.2
117.06998	0.8
118.04161	1.3
119.04951	3.1
119.08572	1.4
120.08110	1.1
121.02855	1.0
121.06495	29.8
121.10114	1.6
122.07323	0.6
123.04414	2.0
123.08062	1.7
124.05193	0.7
124.07554	0.9
125.05985	8.4
127.03933	4.9
128.10680	1.8
129.05438	1.6
129.06937	0.5
129.10231	1.2
131.04926	3.6
131.05814	0.7
132.05727	0.5
133.06494	11.3
133.10095	0.9
134.02914	0.4
134.03635	4.2
135.04384	1.9
135.08044	1.2
135.11693	0.9
136.06145	0.6
136.07539	1.6
137.05954	5.5
138.05507	0.9
138.06725	1.5
139.07547	2.8
145.02818	2.0
145.04956	1.0
145.06436	0.7
146.11711	2.2
147.04407	8.8
148.05186	3.1
149.05971	46.5
150.06496	0.7
151.03917	0.8
151.07491	2.0
152.07034	1.1
152.08205	0.7
153.05452	1.8
153.09094	12.2
161.05971	22.8
162.07695	1.3
163.03868	2.4
163.07513	5.4
165.05420	0.8
166.06218	1.4
167.07039	10.0
168.07413	0.6
173.13129	0.6
177.05469	22.6
177.09041	1.0
180.08723	0.7
181.08577	20.8
187.11201	0.7
191.07018	21.2
193.08589	25.8
195.06438	1.0
199.07597	0.6
207.06555	0.9
209.08075	100.0
210.08427	1.2
216.11050	0.6
218.11668	1.0
228.14659	0.5
235.14403	0.6
246.07477	0.5
247.14392	1.1
251.14090	0.5
254.16129	1.2
260.14914	4.0
271.16962	1.4
272.17303	1.3
289.17776	0.7
290.18307	1.1
355.15591	0.6
369.13177	0.9
383.14941	1.2
387.14166	2.7
391.17471	0.6
405.19254	0.7
419.17599	0.8
464.21356	1.2
534.86951	0.6
572.27002	0.7
598.23962	0.8
598.35150	0.7
616.25732	6.7
616.35895	0.7
617.24127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01865	2.5
55.05500	0.7
55.95118	0.5
57.03429	1.2
58.65933	0.4
60.04510	0.5
61.02924	0.8
65.03930	2.4
65.49342	0.5
65.67480	0.5
67.05504	1.0
69.03410	1.2
70.06588	3.9
70.78770	1.7
71.04976	1.2
72.08157	2.7
75.04482	3.7
77.03912	0.7
78.04697	2.2
79.05479	3.1
81.03389	0.7
84.04485	1.0
84.08127	2.0
85.02891	5.4
86.09688	1.2
89.03896	1.3
89.06003	0.9
89.10756	0.5
91.05470	10.5
93.03397	11.1
93.07032	5.8
95.04962	5.4
97.02884	1.6
97.06525	2.5
103.05440	6.9
105.07018	15.4
106.04163	24.2
107.04935	2.1
109.02878	0.9
109.06523	0.8
110.07160	1.4
111.04406	1.2
115.05421	2.7
117.03352	0.8
118.04131	1.5
119.04935	1.8
121.06490	27.7
121.10108	0.6
123.04404	1.5
123.08032	1.0
124.05196	0.7
125.05988	6.9
127.03902	3.5
131.04930	3.4
133.06477	16.0
134.03598	2.9
135.04413	1.4
135.08072	0.9
137.05974	4.3
138.06754	1.4
139.07523	2.0
145.02803	1.4
145.04929	0.7
147.04381	3.3
148.05196	3.3
149.05966	46.5
151.03911	1.0
151.07516	2.1
152.08220	0.7
153.05482	1.8
153.09081	12.3
159.04462	0.5
159.09225	0.5
161.05965	32.0
163.03860	1.4
163.07497	3.8
164.76711	0.6
165.05434	0.6
166.06224	1.0
167.07019	3.3
177.05446	23.5
179.07051	0.7
181.08575	19.9
181.10187	1.0
191.06990	16.6
193.08588	41.9
194.08893	0.5
195.06508	0.8
209.08070	100.0
210.08528	0.9
266.73834	0.5
369.13373	0.8
383.14673	0.8
387.14304	2.3
398.97897	0.5
401.15717	1.0
419.16879	0.8
434.56564	0.5
616.36560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.5
55.01864	5.9
55.05508	21.0
57.03428	10.5
57.07056	10.1
57.07320	2.4
59.04984	2.3
61.02904	7.9
65.03929	8.2
67.05506	34.0
69.03426	24.1
69.07063	34.9
70.06583	4.2
70.99859	3.4
71.00204	6.0
71.01350	7.0
71.04986	8.8
72.08152	4.7
73.02921	14.4
77.03934	2.6
79.05482	26.7
79.19585	2.3
80.12751	2.7
81.03423	16.3
81.07053	84.8
83.04978	16.6
83.08600	14.4
85.02905	55.3
85.06539	8.8
86.09712	3.2
87.04459	4.1
87.06897	2.4
91.05473	45.2
93.07033	65.5
95.01314	6.2
95.04969	14.8
95.08602	91.2
95.76732	2.6
97.02877	23.8
97.06528	12.4
97.10176	6.6
99.04433	7.7
99.08080	2.9
101.02338	2.8
103.03917	4.2
103.05478	3.8
105.07023	96.9
107.04936	7.4
107.08588	80.2
109.02872	12.2
109.06523	7.8
109.10149	64.6
111.08057	6.0
113.02373	7.1
115.03913	3.3
115.05372	3.1
116.07064	3.0
117.07014	16.0
119.04912	6.1
119.08574	97.8
121.02927	3.4
121.06503	5.0
121.10137	61.5
123.04411	13.9
123.08046	9.1
123.11699	26.6
125.05962	5.7
125.09610	6.2
127.03928	15.9
127.11329	2.4
128.06223	2.7
129.06984	11.1
129.12779	2.5
131.03407	5.6
131.08566	39.7
133.06522	4.4
133.10123	75.4
135.04289	3.7
135.08093	6.5
135.11685	50.1
137.02325	16.1
137.05934	11.7
137.09633	6.2
137.13264	11.7
139.03914	6.7
141.01839	12.6
142.07776	6.6
143.08545	24.9
144.09348	6.2
145.04938	4.6
145.06458	3.4
145.10114	46.4
147.04395	11.3
147.08028	3.4
147.11676	59.6
149.05975	4.3
149.09619	8.8
149.13243	45.4
151.03831	5.4
151.07520	3.4
151.11166	5.2
153.05486	11.5
153.12744	3.2
155.08536	4.5
156.09384	5.0
157.06523	4.2
157.10117	30.8
158.10915	4.0
159.02856	4.0
159.04404	5.4
159.08102	3.5
159.11674	74.0
161.06007	4.9
161.09613	7.8
161.13248	74.6
161.14592	4.2
163.03922	4.4
163.07545	4.5
163.11221	4.2
163.14798	32.5
165.05466	3.6
167.07039	43.5
168.07425	4.2
169.06461	2.9
169.10147	8.1
171.11719	20.7
172.12430	3.4
173.09596	3.6
173.13268	42.0
175.07544	6.0
175.11154	5.8
175.14824	34.9
177.05486	9.7
177.09258	4.2
177.12750	92.6
177.16359	9.8
179.14290	77.4
181.08551	2.8
181.10132	3.1
183.11667	9.9
185.13203	34.4
187.07561	7.3
187.14807	31.1
189.05458	3.9
189.09076	2.8
189.12772	9.6
189.16370	63.5
191.14308	20.4
191.17917	50.0
193.08600	3.4
195.03024	3.5
197.13228	8.4
199.14810	10.8
201.05553	2.8
201.16411	26.6
203.10757	5.8
203.14310	90.1
203.17902	41.5
205.08621	6.4
205.12199	3.7
205.15846	7.5
205.19489	4.4
206.04443	4.3
207.03015	6.2
207.06462	3.5
207.17490	4.9
211.14864	4.9
213.05524	12.8
213.16312	12.2
215.10738	4.3
215.14288	7.2
215.17924	14.3
217.15918	15.6
217.19533	9.3
219.17436	5.5
221.19124	3.1
225.16402	8.0
227.17964	9.0
229.15868	8.1
229.19533	9.9
231.17459	20.8
231.21056	9.9
235.09610	3.6
239.17903	3.5
241.19569	5.8
243.17734	3.7
243.21083	7.7
245.18990	5.5
253.19427	3.1
255.06496	3.1
257.19046	4.4
259.20755	3.8
265.19415	4.1
267.06357	5.3
267.20792	5.7
269.22641	5.1
271.20496	15.7
279.06564	4.4
281.22443	3.7
283.06219	3.8
283.20493	3.0
285.22122	6.5
290.69028	2.7
295.05951	5.0
299.23550	3.2
301.10602	3.3
303.10052	3.7
307.05817	5.0
309.07465	5.5
310.04745	6.3
311.05511	17.1
319.09836	2.7
321.07513	4.2
321.11127	65.6
322.11572	6.3
323.05243	3.8
323.08942	4.1
325.07123	28.6
325.25464	3.5
326.07462	3.6
337.06943	6.5
339.08688	8.4
345.07712	3.9
346.08261	3.6
347.09067	14.2
349.07004	4.4
349.10773	6.9
350.07358	3.4
351.08554	5.3
352.58649	3.3
353.10095	4.3
361.10867	4.2
363.08542	8.8
363.12311	11.6
365.10162	40.9
367.11667	20.4
367.15421	3.6
377.10455	3.4
379.11719	40.0
379.29810	4.4
381.13489	5.6
383.11118	3.8
391.33588	3.9
393.35028	5.0
395.11432	6.8
397.12766	10.7
399.11972	3.5
403.33475	18.3
407.15100	6.5
417.13229	16.6
421.34616	100.0
422.34796	3.9
435.13840	16.1
436.14761	3.5
439.35651	7.6
453.15125	73.1
454.15817	10.3
529.33215	3.3
571.34528	10.7
572.33575	3.2
579.18250	4.6
597.19922	14.3
597.38373	6.5
615.20575	36.3
615.32977	32.8
615.39703	12.6
616.21191	4.4
616.34296	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	615.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79294	2.2
53.03951	2.7
55.01870	2.2
55.05509	19.8
56.34386	1.9
57.03423	4.1
57.07067	4.5
65.03912	2.9
66.77686	1.8
67.05492	29.4
69.03427	12.5
69.07059	29.8
70.06581	2.7
70.19530	4.6
70.19924	3.6
71.01350	4.2
71.04984	6.4
72.08142	4.6
73.02895	9.2
79.05476	23.8
81.03416	10.0
81.07047	71.9
83.04972	13.8
83.08618	13.8
85.02893	35.2
85.06526	4.2
86.09666	2.5
91.05466	34.8
92.52798	1.9
93.07031	70.5
95.01312	12.9
95.04951	11.4
95.08596	100.0
97.02880	13.5
97.06509	9.2
97.10149	7.2
99.04468	2.2
101.02341	2.3
103.03956	2.7
103.05423	2.1
105.07016	88.5
107.04939	8.2
107.08578	80.0
109.02862	6.0
109.06499	8.3
109.10149	61.2
111.08060	6.0
111.11664	2.1
113.02368	8.2
115.05436	4.2
117.06992	12.2
119.08564	87.4
121.06490	7.1
121.10131	60.9
123.04404	12.6
123.08043	6.9
123.11704	28.6
125.09663	5.7
126.08131	1.7
127.03885	9.2
128.06215	3.0
129.06985	9.1
130.07751	2.8
131.03365	6.3
131.08531	30.2
133.06482	2.7
133.10114	71.4
135.08049	5.1
135.11668	48.5
137.05965	8.1
137.09598	7.1
137.13237	8.9
139.07524	5.7
139.11137	1.9
141.01854	17.0
142.07780	4.8
143.08542	20.4
144.09341	4.3
145.10104	43.2
145.11235	2.3
147.04399	4.8
147.07951	2.4
147.11676	52.9
149.05931	2.3
149.09579	6.0
149.13248	39.3
151.03973	2.4
151.07555	3.1
151.11171	6.1
151.14853	2.4
153.05438	2.6
153.09032	2.5
155.08594	3.0
156.09364	4.7
157.10123	24.9
158.10954	2.6
159.02892	4.9
159.04378	3.2
159.08032	4.3
159.11678	56.6
161.09604	6.0
161.13235	66.4
161.99344	2.3
163.03850	3.3
163.07532	3.8
163.11122	3.5
163.14824	28.7
165.09155	3.3
165.12764	2.3
167.07024	47.7
169.10141	6.7
170.10928	2.4
171.11653	21.3
172.12317	1.9
173.13252	39.5
175.07660	2.3
175.11172	5.3
175.14809	29.5
177.05421	2.5
177.09241	3.6
177.12727	71.7
177.16379	8.8
179.03378	2.9
179.14297	59.9
181.04922	2.2
181.10185	3.0
183.11703	7.1
185.09666	2.0
185.13254	29.6
187.07576	3.0
187.11153	2.6
187.14801	30.7
189.12781	4.0
189.16360	64.9
191.14297	21.5
191.17923	58.1
191.19565	3.6
193.08537	3.9
193.15840	3.0
195.13808	4.5
197.13260	8.6
199.14806	13.8
201.05428	3.0
201.09291	2.4
201.12628	3.3
201.16350	29.2
203.14296	85.2
203.17924	49.7
205.08710	2.4
205.15872	4.6
205.19466	3.5
207.17416	4.1
209.13159	3.1
211.14796	7.4
213.05481	7.2
213.16389	12.7
215.14357	6.6
215.17926	12.0
217.15901	13.6
217.19453	11.1
219.17404	4.9
219.21095	2.4
221.18956	4.2
225.16335	4.6
227.17986	6.8
229.15842	7.7
229.19450	9.1
231.17435	18.7
231.20993	10.4
233.08109	25.3
233.11609	3.0
237.16434	3.1
239.18021	2.5
241.15771	2.7
241.19420	3.7
243.17403	4.7
243.21117	8.0
245.22644	2.6
253.19591	4.2
255.20995	3.0
257.18918	3.0
259.20508	4.3
267.06500	5.5
267.21066	6.2
269.22495	4.2
271.20551	18.4
271.23416	3.1
273.22156	2.1
283.20578	3.1
285.22040	9.0
295.06052	5.5
297.07611	2.1
299.23593	2.6
309.04056	4.3
309.07458	2.9
310.04626	3.9
311.04953	4.7
313.07068	6.2
315.04974	6.7
318.26602	2.1
323.05664	3.1
323.12857	4.1
325.06952	10.5
331.09451	5.5
337.07062	3.0
337.25211	2.6
349.10651	11.9
361.10800	2.6
367.11731	42.0
368.11951	2.9
371.11288	4.9
377.10193	4.6
377.31686	3.2
379.11627	6.3
379.29968	3.9
381.13550	3.9
387.14005	2.7
393.13187	3.6
393.35049	6.4
395.11133	6.1
403.16510	2.9
403.33533	15.4
417.33575	5.5
421.34619	94.5
422.34814	3.7
435.18631	6.3
435.34973	18.2
439.35583	8.8
453.14557	12.1
453.35535	8.0
500.13538	2.3
571.35107	6.1
573.34491	3.0
597.19391	15.5
597.38446	5.1
610.21265	2.2
615.20013	7.8
615.32056	10.8
615.38916	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	615.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01855	3.3
55.05505	5.9
57.03434	14.3
58.06601	1.3
59.04988	1.5
61.02905	2.1
65.03941	1.7
67.05504	8.0
69.03132	1.2
69.03427	14.2
69.07050	4.9
69.39243	3.8
69.39669	8.2
70.06580	5.5
71.01327	1.6
71.04987	79.1
72.08149	11.6
73.02905	1.8
75.04462	3.3
79.05482	7.2
81.03403	7.4
81.07048	10.6
83.04970	13.0
84.08144	5.7
85.02898	100.0
86.09695	1.7
87.04440	5.0
91.05475	14.1
93.07032	10.1
95.01263	1.3
95.04945	8.5
95.08046	2.0
95.08603	21.3
97.02890	7.4
97.06528	2.9
98.06027	1.6
98.09684	1.5
99.04430	4.1
101.06001	4.7
103.03936	1.7
103.05466	1.6
105.07029	14.1
107.04932	4.0
107.08590	13.8
109.02847	4.3
109.06499	11.9
109.10163	7.4
109.91045	1.0
110.02377	1.4
111.04418	9.1
115.05428	1.4
117.07018	2.7
119.04915	5.1
119.07914	1.2
119.08586	14.7
121.06463	7.5
121.10133	30.1
123.04408	3.2
123.08054	13.0
123.11707	4.5
125.05969	2.7
125.09620	2.0
127.03918	9.9
127.07480	1.2
128.06203	1.3
128.10667	2.9
129.03696	1.1
129.05472	20.4
129.06978	2.9
131.04938	1.6
131.08557	6.9
133.06480	6.0
133.10120	12.5
135.08075	5.6
135.11703	10.5
136.07536	1.2
137.05951	3.4
137.09622	2.7
138.05458	1.5
139.11165	3.3
139.12277	1.2
141.06982	3.7
142.07637	2.4
143.08536	5.7
145.04933	3.2
145.06424	2.5
145.10123	10.6
146.07245	1.6
147.04430	10.4
147.06511	5.0
147.08076	7.2
147.11688	5.7
149.05969	6.6
149.09595	3.4
151.07547	10.9
152.07109	2.5
154.07661	1.8
155.07092	2.2
155.08522	5.0
156.09354	1.6
157.06491	1.6
157.10123	6.7
158.07162	2.2
159.08052	8.9
159.11665	8.1
160.08763	1.7
161.05974	2.3
161.09573	5.0
161.13237	3.8
163.03926	2.6
165.09044	2.3
167.07014	15.5
168.09279	1.4
169.08687	2.3
169.10097	7.6
171.08020	6.2
171.11638	4.4
172.08823	2.4
173.09683	6.8
173.13249	7.2
175.07562	2.7
175.11165	3.5
175.14775	2.7
177.05405	1.5
177.09058	3.4
177.12733	1.4
179.08514	3.5
181.08612	1.5
181.10016	2.8
182.10823	1.6
183.08118	1.4
183.11658	5.3
185.09619	3.7
185.13240	2.6
186.10307	1.4
187.11172	8.8
187.14828	3.0
189.09029	2.9
191.08257	1.3
191.10657	1.5
193.10123	2.5
195.10075	1.4
195.11684	2.0
196.12376	1.7
197.09566	12.1
197.13231	3.1
199.11134	4.3
199.14722	3.0
201.09129	1.5
201.12758	2.1
201.16306	1.6
203.10725	1.4
203.14314	5.3
205.10278	1.4
205.12198	2.8
207.06525	2.1
209.11647	3.9
209.13405	2.6
210.14194	1.5
211.11140	5.8
211.14780	4.6
213.12712	3.4
215.10658	30.0
215.14165	2.5
220.12503	1.7
225.12778	2.0
225.16331	5.6
227.14268	9.7
229.12167	2.1
229.15881	3.7
231.13785	1.7
233.11771	5.5
233.15137	2.2
235.14670	3.2
238.13524	1.5
243.17427	5.5
245.15199	2.7
247.14412	1.6
247.16859	1.6
253.15869	36.2
254.16223	1.5
260.14883	1.7
261.18436	1.5
271.05933	2.2
271.16904	53.5
275.12997	1.4
289.17953	53.7
295.05646	1.1
295.17059	1.8
307.19012	25.3
313.17862	1.5
331.19000	3.2
349.16528	2.8
349.20059	5.0
373.20029	1.3
381.20486	1.9
382.09332	2.2
391.21130	3.3
399.21619	2.2
417.22650	2.8
426.26846	1.2
435.23724	2.8
453.24261	2.3
473.29031	1.2
585.47607	1.7
615.20636	11.9
615.35107	8.2
616.26453	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	615.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
57.78315	0.5
59.88417	0.5
61.02884	0.6
67.05479	1.4
69.03455	0.6
69.07070	1.0
70.05246	2.5
71.04978	0.6
72.08138	0.4
78.04707	1.1
79.05473	2.0
81.03401	0.6
81.07034	1.1
83.04982	0.7
83.14732	0.4
85.02893	1.0
91.05474	1.7
93.07039	2.3
95.04949	1.5
95.08585	2.1
95.75455	0.6
97.02910	0.5
97.06475	0.5
105.07011	2.3
106.04138	0.7
107.04941	1.3
107.08594	1.0
109.06519	0.8
109.10131	1.2
115.05428	0.5
119.04794	0.4
119.08546	1.5
121.06459	0.8
121.10130	1.6
122.00183	0.5
123.04420	4.1
123.08019	0.9
124.05187	1.9
127.03889	0.5
128.06226	0.5
130.30185	0.4
131.08540	0.8
133.06464	1.2
133.10104	0.8
135.08061	0.9
135.11722	0.7
137.06023	0.8
143.08548	0.5
145.10107	1.8
147.08037	0.8
149.05910	1.1
151.03897	0.7
152.04660	1.3
154.68936	0.4
157.10063	0.8
161.05975	1.3
163.07544	0.8
167.07022	100.0
168.07411	1.2
169.10207	0.5
181.08679	1.1
181.10168	0.8
181.12193	0.7
193.08588	6.0
195.09984	0.8
211.09628	5.5
233.15207	0.8
290.06915	0.5
393.03061	0.5
450.03662	0.6
515.54712	0.5
557.16437	0.8
597.39795	0.6
615.21466	1.0
615.39752	2.1
616.17639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12283	0.1
53.03917	0.2
55.01856	0.2
55.05502	0.1
67.05503	0.2
67.80229	0.1
68.85000	0.1
69.03412	0.2
69.07056	0.1
69.70872	0.5
69.71288	0.2
77.03899	0.1
78.04706	1.4
79.05483	0.9
81.03398	0.2
81.07028	0.3
82.82748	0.1
84.08144	0.1
85.02889	0.2
91.05493	0.6
93.07037	0.5
95.04942	0.5
95.08583	0.3
96.05721	0.2
97.02882	0.1
103.05468	0.4
105.07030	1.3
106.04171	0.8
107.04951	1.1
109.02891	0.2
109.06541	0.1
109.10137	0.3
115.05434	0.3
119.04946	0.1
121.02818	0.1
121.06512	0.5
121.10159	0.1
122.03630	0.2
123.04424	3.5
124.05203	1.7
125.05962	0.1
132.05719	0.1
133.06485	1.3
133.10098	0.1
134.03593	0.2
135.04395	0.2
135.08043	0.1
135.11673	0.1
137.05972	0.4
139.07491	0.1
147.04376	0.2
149.05925	0.7
150.18221	0.1
151.03891	0.7
152.04663	1.4
161.05971	1.0
163.07507	0.2
165.08977	0.1
166.06190	0.1
167.07025	100.0
168.04056	0.2
168.07368	0.6
179.06960	0.4
181.08591	1.1
184.57246	0.1
193.08588	5.7
195.10170	0.9
211.09633	6.7
219.10115	0.1
223.09686	0.1
253.10693	0.3
297.07599	0.1
367.11676	0.3
367.83405	0.1
379.11539	0.1
385.16721	0.1
402.23154	0.1
417.33594	0.1
435.34854	0.2
453.35715	0.2
582.61188	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	615.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01837	0.4
57.03431	1.0
57.47541	0.2
59.04966	0.3
61.02919	1.5
67.05462	0.4
67.96509	0.2
69.03419	4.7
69.07060	1.3
70.41768	0.8
71.04969	0.5
73.02866	0.8
77.26229	0.2
81.03415	1.7
81.07005	0.6
83.04918	0.3
83.59772	0.2
85.02897	8.3
87.04418	0.7
91.03959	0.3
91.05443	0.4
93.07015	0.4
97.02878	3.3
98.20788	0.2
99.04389	0.8
101.02353	0.2
105.06995	0.6
105.49454	0.2
107.04942	0.3
107.08562	0.4
108.11031	0.2
109.02821	1.0
109.06487	0.3
109.10117	0.3
117.03346	0.3
121.06406	0.3
121.10155	0.2
123.04380	0.6
127.03894	1.9
131.08522	0.3
133.06474	0.3
133.10139	0.3
134.03586	0.9
137.05940	0.3
137.09610	0.4
143.08578	0.2
145.04886	0.6
145.10045	0.4
147.04362	0.5
149.05922	0.2
151.03882	0.3
153.05411	0.8
167.07018	3.3
177.05409	0.5
189.05469	0.3
195.02806	0.7
203.10631	0.3
211.09581	0.2
213.05527	0.3
213.09003	0.2
215.07025	0.4
231.06340	0.3
245.09628	0.3
253.04932	0.5
269.08154	0.3
281.04587	0.3
282.05206	0.4
283.06189	0.2
289.08640	0.4
293.04398	0.3
295.05908	0.4
298.04648	0.3
299.05640	0.2
301.08493	0.4
307.06192	0.4
307.09741	0.3
309.07471	0.8
310.04681	11.3
311.05252	0.7
313.07037	1.4
318.08850	0.4
322.04895	0.3
323.05399	0.6
324.06256	1.4
325.07025	34.5
326.07449	0.8
329.08130	0.3
333.10999	1.1
334.08167	0.3
335.09116	0.2
337.06955	1.1
337.10669	0.5
339.08551	1.7
345.07471	0.3
346.08322	2.0
347.09082	0.3
349.06848	0.4
349.10678	0.6
351.08530	0.7
352.09351	0.3
353.10104	0.4
361.10703	4.7
363.12234	0.4
364.09415	2.3
365.10126	0.6
367.08115	0.2
367.11823	3.5
367.15997	0.4
377.10071	0.5
379.11749	8.2
381.13251	1.5
393.13364	1.2
397.12891	2.0
407.18512	0.3
435.18082	1.8
438.16843	1.4
451.17499	0.8
452.17456	0.4
453.19031	100.0
454.19547	2.2
495.20169	0.6
597.22211	0.8
615.22498	0.7
615.39972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2065
Annotation	Arborside A
Peak:m/z	Relative Intensity
53.03779	0.7
53.04045	1.0
55.01725	0.3
55.01954	0.7
57.03246	0.6
57.03550	1.7
58.41251	0.3
59.05086	0.4
61.02703	0.7
61.03045	2.4
67.05634	1.2
69.03140	2.9
69.03561	10.5
69.07160	0.4
71.01451	0.4
71.05080	0.7
72.08241	0.3
73.02600	0.6
73.03052	1.9
79.05608	0.5
81.03045	1.0
81.03568	5.3
81.06738	0.3
81.07172	0.7
83.08727	0.3
85.02485	3.0
85.03057	16.3
87.00994	1.0
87.04620	1.9
91.04077	0.7
91.05618	0.4
95.08182	0.3
95.08733	0.7
95.18066	0.3
97.02371	1.1
97.03057	6.9
97.06649	0.4
99.04619	1.5
103.04111	0.4
105.01993	0.5
105.03562	0.5
105.07189	0.7
107.08729	0.5
109.03058	4.2
115.04075	0.5
117.03538	0.4
119.08691	0.7
121.06622	0.4
121.10281	0.5
123.04630	1.3
127.03083	0.6
127.04099	6.2
129.07167	0.3
131.08722	0.5
134.03758	0.5
135.04579	0.8
137.02495	0.9
138.05672	0.4
145.05177	1.4
147.04607	0.6
151.04031	0.4
159.03049	0.4
159.08264	0.3
161.02548	1.0
161.13449	0.4
163.04140	0.4
167.05771	0.6
167.07001	2.6
169.06599	0.5
177.01982	0.4
185.06067	0.3
187.04001	0.4
189.01944	0.9
191.03545	0.8
197.06032	0.5
201.01965	0.5
201.05731	0.4
203.03571	0.4
205.04965	0.4
207.03043	0.7
211.07680	0.6
215.07155	0.6
219.03032	0.5
225.05582	0.5
232.08986	0.3
233.08115	0.4
237.05507	0.6
243.06522	0.7
251.07251	0.4
257.09894	0.4
265.05188	0.4
267.06589	1.0
269.08173	0.6
275.10703	0.7
277.08585	0.3
278.09692	0.4
279.06665	0.9
283.06003	5.1
284.06619	0.5
285.09085	0.4
288.07776	0.4
291.06689	0.5
292.07175	0.4
293.11606	0.4
295.06339	0.8
297.07556	2.5
299.05609	1.8
303.10257	1.0
305.04617	0.3
305.08127	0.4
306.09067	1.0
307.06161	1.3
307.09650	0.4
309.07666	0.7
309.11075	0.3
310.04651	2.2
311.05499	2.0
311.09106	0.5
311.12827	0.6
312.06393	1.6
313.07034	8.6
317.08224	0.7
319.09747	0.8
321.07709	0.9
321.11264	0.7
323.05472	10.8
323.08337	0.6
324.06348	1.6
325.03421	0.8
325.07001	4.7
325.10599	0.4
327.05161	2.9
327.08615	0.8
329.06613	0.6
331.09561	0.7
333.07510	1.0
334.08246	2.1
335.05545	2.0
335.09308	1.1
336.06290	0.5
337.07050	11.7
337.10999	0.8
338.07611	0.5
339.05060	0.7
339.08600	1.3
339.12399	0.8
341.06522	6.6
347.05380	0.5
347.09091	0.7
348.10080	0.8
349.06900	0.5
349.10712	5.0
351.08655	6.6
352.09375	3.3
353.06528	2.2
353.10309	0.8
359.09067	4.7
361.06821	0.7
361.10831	0.5
362.07730	0.4
363.08527	0.8
365.10046	1.5
366.10944	1.3
367.11749	49.5
368.12140	1.4
377.10168	25.2
378.10864	0.7
379.11685	1.3
380.09021	0.7
381.09689	5.2
383.83124	0.4
393.13547	1.4
395.11230	100.0
396.11395	1.6
407.14816	1.3
409.12784	0.6
411.14334	0.6
419.11139	0.8
434.16287	0.4
435.14243	5.0
435.33783	0.5
437.12097	1.9
451.56107	0.3
453.15387	31.5
454.16025	0.5
529.09589	0.4
529.16986	6.3
539.15405	1.6
557.16479	12.9
571.18134	8.2
571.32080	0.4
572.18469	0.4
597.15271	1.8
615.17242	19.4
615.34106	1.0
616.17566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33311	0.4
52.71642	0.3
53.03944	2.3
55.01854	1.1
55.05495	1.1
57.03429	2.2
57.07057	0.6
61.02921	2.2
61.83878	0.5
63.94890	0.4
65.03929	0.5
65.64978	0.4
67.05498	2.8
68.99782	1.5
69.03423	14.0
69.07053	1.6
70.06588	1.0
71.01349	0.5
71.04974	1.7
71.62852	0.7
72.08154	2.8
73.02921	2.2
75.88895	0.4
79.05483	1.5
81.03410	11.7
81.07036	3.6
81.52207	0.4
83.04978	0.9
83.08604	0.6
84.08154	0.5
85.02897	15.5
85.06520	0.8
86.09680	0.7
87.00832	3.1
87.04459	1.0
91.03909	0.5
91.05465	2.3
93.07041	3.1
95.04967	1.4
95.08598	3.8
97.02888	8.0
97.06503	0.8
99.04437	3.6
101.02367	0.4
101.07137	0.5
103.03941	1.5
103.05535	0.4
105.01871	1.4
105.03416	0.6
105.07018	3.1
107.04945	2.0
107.08581	3.2
109.02877	7.6
109.06492	0.9
109.10157	1.9
111.04453	0.4
111.08057	0.9
115.03931	0.9
115.05451	0.4
117.01833	0.4
117.06989	0.6
119.04921	1.4
119.08563	2.0
121.02830	1.8
121.06461	1.2
121.10133	2.1
123.04417	1.7
123.08067	0.7
123.11718	1.0
125.05993	0.5
125.09629	0.5
127.03909	11.6
129.01834	0.6
129.06982	0.6
131.04970	0.5
131.08551	0.9
133.06458	0.5
133.10106	1.9
134.03668	0.8
135.04453	1.0
135.08022	0.8
135.11674	1.1
137.02316	0.6
137.06003	2.0
137.09637	0.5
139.03897	0.8
143.04865	0.4
143.08548	0.7
145.04955	2.2
145.06465	0.7
145.10110	1.1
147.04393	4.4
147.08084	0.5
147.11664	1.6
149.02316	0.5
149.05940	0.4
149.09669	0.7
149.13171	0.5
151.03865	0.6
151.07513	1.3
151.11205	0.5
153.05458	0.6
155.08498	0.5
157.06482	0.6
157.10097	0.6
159.02861	1.0
159.08047	0.6
159.11662	1.3
161.02292	0.8
161.05969	0.6
161.13240	0.6
163.03920	1.1
163.07536	0.6
165.09106	0.7
167.03374	0.5
167.07034	10.5
169.10078	0.5
173.13222	0.9
175.07527	0.5
175.10982	0.4
175.14764	0.8
177.05428	0.9
177.09044	0.5
179.03400	0.5
181.04953	0.9
181.06473	0.5
183.07993	0.6
183.11629	0.4
185.05843	0.4
185.13185	0.4
187.06029	0.6
187.07474	0.7
187.14801	0.5
189.05330	0.6
189.08997	0.6
189.16460	0.8
193.08620	0.7
195.03053	0.4
195.08066	0.7
199.07597	1.0
201.05515	0.6
201.16348	0.4
203.03404	0.5
203.07007	0.6
205.08727	0.5
211.07553	1.3
211.14951	0.4
213.03712	0.8
213.05505	1.1
215.07057	0.5
218.11945	0.4
223.07677	0.6
227.07018	1.1
231.04886	0.4
233.08022	1.2
237.05444	0.9
239.07031	1.1
240.10289	0.4
241.08447	0.5
254.05913	0.5
255.06474	0.9
260.08475	0.5
261.09167	0.9
267.06500	10.7
269.07883	0.7
271.06021	1.0
275.10489	0.6
277.05338	0.5
277.08575	0.6
279.06619	0.5
279.09940	0.4
280.07407	0.5
282.05240	1.3
283.05969	10.3
283.09012	0.8
284.06567	0.5
285.07568	1.2
289.05099	0.6
289.08423	0.4
290.09344	1.0
291.06714	0.7
293.11758	0.9
295.05911	0.8
296.06625	0.6
297.07547	24.4
298.04858	0.5
299.05502	2.0
301.07138	0.9
301.54303	0.4
305.08105	1.0
306.08792	1.8
307.05945	0.8
307.09659	1.1
309.07587	1.7
310.04626	3.7
311.05521	1.6
313.07022	19.1
316.07294	1.0
318.08957	0.6
321.07513	1.8
321.11188	2.5
323.05426	1.2
323.08920	0.5
324.06250	1.5
325.07028	15.4
325.10440	0.8
326.07660	0.5
327.08463	0.8
331.09631	1.8
333.07516	0.7
334.08292	3.8
335.09067	1.6
336.09985	0.6
337.07010	7.3
337.10718	0.4
339.08493	2.7
339.12277	3.4
346.08200	1.1
347.08966	0.6
348.09952	0.6
349.10681	29.3
350.11270	0.5
351.08719	2.6
352.09381	2.5
353.10251	0.6
361.10580	1.6
363.08490	0.6
363.12701	0.5
364.09525	1.3
365.10156	1.4
366.11008	1.9
367.11734	100.0
368.12048	0.9
377.10083	0.7
379.07834	0.6
379.11740	4.3
381.13519	0.5
387.14163	0.6
391.11572	1.0
393.13287	0.6
397.12775	5.5
399.28745	0.6
409.12781	2.0
417.13727	0.6
417.30203	0.7
435.14441	1.3
435.31158	0.8
453.19861	4.2
453.31955	0.5
459.12790	0.5
511.15997	1.5
529.16925	8.0
543.18250	0.5
553.16962	1.2
559.17719	1.9
561.13690	3.1
571.18030	26.6
579.14960	4.5
590.18402	0.4
597.15863	21.0
615.16907	53.7
615.33722	2.2
616.17767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01832	0.6
55.05476	0.4
57.03392	0.7
61.02917	0.7
63.48132	0.1
65.03903	0.3
67.05502	1.4
68.99794	0.8
69.03423	5.4
69.07019	0.6
69.83212	0.7
70.38139	0.2
71.01318	0.2
71.04946	0.7
72.08140	0.2
73.02908	1.3
79.05448	0.5
81.03411	4.7
81.04129	0.2
81.07061	0.9
83.08611	0.2
85.02898	5.5
87.00822	1.3
87.04430	0.2
91.05470	0.7
93.07054	0.8
95.04973	0.8
95.08591	1.2
97.02883	2.6
98.20844	0.3
99.04446	0.9
103.03904	0.5
103.05406	0.2
105.01852	0.4
105.03345	0.6
105.07010	1.6
107.04916	0.8
107.08562	0.8
109.02878	2.8
109.10087	0.6
115.03863	0.3
115.05460	0.3
117.01821	0.4
117.06962	0.7
119.04958	0.2
119.08528	0.7
121.02859	0.8
121.06437	0.2
121.10093	0.6
123.04387	0.6
123.08014	0.2
124.83563	0.1
125.05951	0.2
127.03905	3.4
128.06195	0.2
129.01749	0.2
131.04875	0.3
131.08511	0.5
133.02820	0.2
133.06467	0.7
133.07356	0.2
133.10078	0.7
134.03572	0.4
135.04411	0.7
135.08037	0.2
135.11624	0.5
137.02327	0.2
137.05934	0.2
137.09567	0.4
139.87057	0.1
141.01752	0.4
143.08502	0.3
144.05669	0.3
145.04916	0.6
145.06432	0.9
145.10086	0.4
147.04398	0.7
147.08078	0.2
147.11624	0.4
149.02342	1.9
149.05923	0.2
149.09599	0.4
149.13182	0.3
151.03851	0.3
157.06535	0.2
157.10066	0.2
159.02942	0.4
159.08092	0.9
159.11652	0.6
161.02332	2.4
161.13205	0.4
162.06743	0.2
163.03841	0.7
163.07454	0.7
163.14778	0.3
165.01779	0.7
165.09070	0.4
167.03345	0.7
167.07014	1.2
169.04884	0.3
169.10164	0.2
171.08070	0.2
171.11757	0.2
173.05898	0.4
173.13232	0.4
174.06856	0.2
175.03844	0.3
175.07468	0.3
175.14790	0.3
176.00948	0.2
176.04645	0.2
177.01773	0.3
177.05458	0.4
177.09003	0.3
177.12675	0.6
179.03384	8.4
179.14252	0.7
181.04961	1.0
181.06262	0.2
183.02922	0.9
183.04341	0.3
183.20502	0.1
185.06033	0.2
185.13242	0.3
187.03830	0.5
187.05963	0.4
187.07506	0.4
187.14793	0.3
189.01768	0.2
189.05435	0.3
189.09006	0.2
189.16330	0.6
190.06165	0.7
191.03392	2.4
191.06979	0.8
191.08499	0.2
191.14316	0.2
191.17851	0.4
193.04915	0.5
194.02029	0.2
197.04439	4.9
197.05954	0.2
199.07570	0.3
201.05475	1.4
201.16348	0.3
202.06184	0.6
203.03398	1.2
203.06976	0.3
203.14294	0.6
203.17926	0.5
205.04959	1.1
205.06573	0.2
205.06917	0.2
205.08582	1.6
209.04414	0.6
211.07526	0.3
213.05455	0.5
213.09207	0.3
213.16481	0.2
215.06973	1.7
217.04944	0.2
217.08418	0.2
218.05673	0.4
219.06419	0.3
220.07071	0.3
221.04381	0.5
223.11299	0.3
227.06970	0.6
231.06458	0.4
231.17490	0.2
233.08067	15.1
235.05853	0.3
235.14403	0.4
236.08864	0.2
239.07040	0.3
240.07771	0.2
241.04951	0.3
241.08522	0.4
243.06520	0.4
251.06775	0.3
251.09059	0.8
251.11028	0.4
253.04842	0.3
254.05698	0.2
254.09393	0.2
255.06548	1.0
256.07318	0.2
257.07910	0.2
261.09039	0.4
264.07755	0.6
265.05023	0.4
265.08554	0.2
267.06421	0.7
268.07233	0.3
269.08136	0.5
269.11682	1.6
271.05960	0.3
276.99344	0.2
278.09332	0.5
279.07181	0.3
279.10123	1.5
280.03659	0.2
281.04422	0.5
281.08035	0.5
281.11322	0.2
282.08884	0.5
283.06046	1.1
283.08841	0.2
283.13388	0.3
290.09335	0.3
291.06427	0.3
292.07272	0.3
293.04517	0.2
293.11673	0.7
295.06027	2.7
295.09274	0.4
296.10446	0.2
297.07742	0.4
297.11157	3.8
299.05508	0.9
301.07001	0.4
303.06464	0.4
303.09787	0.2
306.08813	0.5
307.05978	0.6
307.09653	0.3
309.07401	0.3
310.04721	0.8
310.07886	0.2
311.05402	0.5
311.12637	0.7
313.07028	9.3
316.07260	0.8
317.08087	1.0
318.08945	0.2
319.06052	1.5
319.09659	0.4
320.06668	0.2
321.07565	0.4
321.11139	0.5
323.05417	0.3
323.09009	0.3
324.06354	0.2
325.07037	4.4
325.10669	1.0
327.08630	0.5
331.09689	1.7
333.07687	0.7
334.08359	1.3
335.09149	0.6
336.09805	0.3
337.07037	2.4
337.10602	0.1
339.08594	0.9
339.12323	0.6
349.10675	7.0
351.08762	0.8
352.09433	1.5
361.10635	0.2
365.10263	0.3
366.10959	0.2
367.11734	100.0
368.11920	0.9
377.10541	0.2
379.11844	0.5
381.13147	0.5
391.11679	0.6
403.33105	0.2
409.12814	1.4
421.34570	0.7
435.34369	0.3
453.14700	0.8
529.16998	6.4
571.18073	23.2
597.15692	2.2
615.17010	50.0
616.17352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20023	0.1
51.87196	0.1
53.00275	0.1
53.03941	1.0
55.01865	0.8
55.05466	0.5
55.33907	0.1
57.03432	1.1
57.07053	0.2
61.02921	0.9
61.38751	0.1
64.86768	0.1
65.03905	0.3
67.05499	1.5
68.99764	0.8
69.03422	5.8
69.07063	0.8
70.75971	0.3
70.76340	0.3
71.01309	0.4
71.04985	0.6
72.02480	0.1
72.08109	0.3
73.02916	1.1
75.04433	0.2
77.03836	0.1
79.05479	0.8
81.03410	5.0
81.07047	1.7
83.01290	0.2
83.04936	0.3
83.08573	0.4
84.08118	0.2
85.02898	6.1
85.06509	0.2
87.00815	1.2
87.04420	0.3
91.05048	0.1
91.05463	1.1
93.03367	0.2
93.07025	1.7
95.01309	0.2
95.04961	1.0
95.08607	2.2
97.02883	2.6
97.06516	0.2
97.10154	0.2
99.04437	1.3
101.02332	0.2
103.03886	0.4
103.05402	0.3
105.01804	0.4
105.02515	0.1
105.03337	0.5
105.06390	0.2
105.07024	2.7
107.04938	1.0
107.08597	1.9
109.02228	0.2
109.02871	2.6
109.06479	0.3
109.10148	1.4
111.08066	0.2
115.03843	0.2
115.05386	0.3
117.07019	1.0
119.04898	0.2
119.07793	0.2
119.08570	2.3
119.70956	0.1
121.02840	0.8
121.06477	0.2
121.10127	1.3
123.04427	0.8
123.08009	0.3
123.11640	0.5
125.05962	0.2
125.09518	0.2
127.03912	3.4
128.06192	0.2
129.01752	0.3
129.06978	0.4
131.04886	0.2
131.08533	0.9
133.02803	0.4
133.06462	0.8
133.10130	1.4
134.03574	0.5
135.04359	0.7
135.07991	0.4
135.11639	0.9
137.02299	0.3
137.05942	0.3
137.09549	0.4
137.13206	0.1
141.01857	0.7
143.08525	0.5
144.05664	0.1
144.09285	0.2
145.04884	0.5
145.06473	0.9
145.10124	1.1
147.04356	1.0
147.11668	1.3
149.02324	2.0
149.05974	0.2
149.09569	0.3
149.13260	0.7
151.03857	0.5
151.07500	0.2
155.08484	0.3
156.09280	0.2
157.06445	0.4
157.10075	0.5
159.02843	0.4
159.04369	0.2
159.08061	1.0
159.10661	0.1
159.11678	1.2
161.02333	2.6
161.05927	0.3
161.09595	0.2
161.13255	1.5
162.06689	0.2
163.03885	0.7
163.07547	0.8
163.11011	0.1
163.14755	0.5
165.01820	0.7
165.09077	0.6
167.03400	1.1
167.07028	2.2
169.04872	0.4
169.10036	0.3
171.04300	0.2
171.08005	0.3
171.11630	0.4
173.05956	0.6
173.13199	0.8
174.06627	0.2
175.03886	0.3
175.07437	0.3
175.11029	0.1
175.14807	0.7
176.16943	0.2
177.01822	0.3
177.05373	0.5
177.09032	0.4
177.12717	1.2
177.16454	0.3
179.03377	8.3
179.14236	1.1
181.04932	1.2
181.08525	0.2
183.02963	0.9
183.04353	0.3
183.11615	0.2
185.13197	0.5
187.03925	0.2
187.05989	0.4
187.07477	0.4
187.14848	0.6
189.05386	0.5
189.09065	0.2
189.16344	1.0
190.06186	0.8
191.03375	2.7
191.06979	0.6
191.14203	0.6
191.17941	1.3
193.04916	0.5
193.08601	0.2
194.02052	0.2
195.02888	0.2
195.08047	0.1
197.04434	6.7
197.13237	0.2
199.07541	0.3
199.14748	0.3
201.05421	1.5
201.09087	0.2
201.16287	0.5
202.06168	0.5
203.03372	1.0
203.06906	0.3
203.14322	1.8
203.17917	1.0
205.04958	1.2
205.08580	1.6
207.17445	0.2
207.72409	0.1
208.08731	0.2
209.04391	0.8
211.07527	0.4
211.14769	0.2
213.05389	0.6
213.08981	0.2
213.16350	0.2
215.07001	1.5
215.14268	0.2
215.17883	0.4
217.05013	0.2
217.15799	0.2
217.19548	0.3
218.05692	0.3
219.06493	0.4
220.07263	0.4
221.04344	0.7
222.10393	0.2
223.11148	0.4
225.16559	0.1
227.06973	0.5
227.10583	0.2
229.04910	0.2
229.15892	0.3
229.19431	0.2
231.06477	0.2
231.17444	0.5
231.21124	0.2
233.08055	15.2
235.05721	0.3
235.14429	0.8
235.97533	0.1
236.08337	0.2
237.05418	0.2
239.06923	0.2
240.04102	0.2
241.04869	0.4
241.08582	0.4
243.06454	0.5
243.21161	0.2
244.05142	0.2
245.07903	0.2
249.07376	0.2
251.06769	0.2
251.09062	0.6
251.10846	0.4
253.04927	0.4
253.08571	0.4
255.06499	1.0
256.07086	0.2
260.08344	0.2
261.09137	0.5
263.07047	0.3
264.07813	0.6
265.05017	0.7
265.08453	0.4
267.06451	0.7
267.10031	0.2
269.08060	0.9
269.11633	1.7
271.05966	0.4
271.20532	0.3
277.08521	0.2
278.09265	0.3
279.06589	0.4
279.10080	1.9
280.03668	0.2
281.04388	0.7
281.08017	0.4
281.11484	0.2
282.04907	0.2
282.08762	0.7
283.05975	1.0
283.08838	0.2
283.13278	0.3
288.08051	0.2
291.06436	0.4
291.09848	0.2
292.07452	0.3
293.04337	0.2
293.11749	0.7
295.05975	2.9
296.10345	0.2
297.07602	0.5
297.11127	3.9
299.05457	0.9
301.06964	0.4
301.10397	0.2
302.05664	0.2
303.06461	0.5
305.07965	0.3
306.08701	0.4
307.05884	0.5
307.09579	0.7
309.07495	0.4
310.04672	0.9
311.05469	0.7
311.12695	0.8
313.07031	9.3
316.07358	0.9
317.08109	0.7
318.08813	0.2
319.06061	1.3
320.06921	0.2
321.07532	0.3
321.11148	0.4
323.05307	0.4
323.08929	0.3
325.07098	5.7
325.10693	1.1
327.08578	0.5
331.09595	1.7
333.07571	0.8
333.10950	0.2
334.08368	1.4
335.09094	0.5
336.09836	0.2
337.07004	3.2
337.10687	0.2
339.08582	1.0
339.12372	0.4
349.10666	6.5
351.08630	1.0
352.09271	1.2
355.08154	0.2
361.10867	0.3
364.09415	0.2
365.10175	0.3
367.11722	100.0
368.12033	0.8
379.11679	1.1
379.29733	0.1
381.13367	0.8
391.11758	0.3
395.11453	0.2
397.12860	0.2
409.12756	1.7
417.33609	0.3
421.34625	1.7
433.13004	0.2
435.14069	0.2
435.34698	0.4
453.15039	1.3
471.11041	0.2
529.16974	6.7
571.18048	22.6
597.15631	1.9
597.23846	0.1
615.16998	47.6
616.17267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01861	0.8
55.05510	0.2
55.71966	0.1
57.03425	0.8
61.02908	0.6
65.03931	0.2
67.05494	0.4
68.99789	0.5
69.03072	0.3
69.03429	5.1
69.07062	0.2
69.49503	1.3
70.06603	0.2
71.01350	0.2
71.04980	0.6
73.02917	0.8
79.05513	0.2
81.02972	0.3
81.03414	4.4
81.07050	0.4
83.01321	0.3
85.02902	8.4
86.09682	0.2
87.00830	2.5
90.04234	0.2
91.05486	0.3
92.39030	0.2
93.07024	0.3
95.04947	0.3
95.08583	0.4
97.02884	2.5
99.04455	1.8
101.02429	0.2
103.03928	0.3
105.01859	1.6
105.07027	0.4
107.04924	0.2
107.08571	0.3
109.02876	3.3
109.06513	0.2
109.10156	0.2
117.01823	0.5
119.08582	0.2
121.10134	0.3
123.04397	0.4
127.03913	5.3
129.01831	0.6
131.08537	0.2
131.17554	0.2
134.03618	0.2
135.04434	0.2
137.05994	0.3
145.04956	1.3
145.10210	0.2
147.02879	0.2
147.04466	0.2
149.06026	0.2
159.02870	1.5
161.06075	0.2
167.07022	1.1
182.22404	0.2
183.02989	0.2
194.01994	0.2
201.05481	0.5
203.03419	0.3
204.95221	0.2
213.04016	0.2
218.05734	0.2
219.06578	0.3
221.04456	0.7
226.65938	0.2
231.05054	0.5
236.06754	0.4
237.05464	0.2
254.67307	0.2
259.05917	0.2
265.04984	0.4
267.06473	0.3
269.08002	0.2
277.08572	0.2
281.08176	0.5
281.46649	0.2
282.05206	0.3
289.08429	0.2
291.57904	0.2
292.07233	0.2
293.04504	0.3
293.07828	0.2
295.06015	0.6
295.09668	0.4
296.06900	0.2
297.07645	0.9
298.04709	1.9
307.09650	0.3
309.07617	1.8
310.04721	0.6
310.08188	0.3
311.05429	1.2
311.08710	0.2
313.07043	4.6
317.08032	0.3
320.06754	0.5
321.07602	0.3
323.05582	0.7
323.09027	0.2
324.06360	0.4
325.07068	2.3
325.10739	0.5
333.07654	0.4
334.08490	0.9
335.08997	1.0
337.07043	4.7
337.11008	0.3
338.07767	1.0
339.08521	0.5
339.12204	0.4
349.10687	1.8
351.08701	0.7
352.09390	6.4
353.10223	0.6
367.11746	100.0
368.12183	0.8
379.11591	0.2
395.06931	0.2
409.12891	0.5
615.41095	0.2
638.79462	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	615.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76722	0.2
53.03947	1.1
55.01851	0.7
55.05508	0.3
57.03429	1.0
61.02917	0.7
64.31729	0.2
67.05489	0.7
68.99773	0.7
69.03423	5.9
69.07064	0.5
69.97765	0.8
69.98181	0.4
71.04964	0.6
72.08146	0.3
72.91483	0.2
73.02901	0.7
79.05479	0.4
81.03411	4.9
81.07050	0.7
83.04953	0.3
83.08607	0.3
84.08106	0.2
85.02898	9.0
87.00822	3.1
87.04453	0.3
91.03923	0.3
91.05465	0.5
93.07030	0.7
95.04957	0.3
95.08579	0.7
96.58097	0.2
97.02885	2.8
98.21386	0.3
99.04456	1.8
103.03927	0.4
105.01860	2.1
105.07018	0.5
107.04958	0.3
107.08562	0.7
109.02872	4.5
109.06496	0.3
109.10135	0.5
115.27518	0.2
117.01833	0.4
119.08572	0.6
121.06400	0.2
121.10112	0.5
123.04404	0.5
127.03907	6.0
129.01825	0.5
131.08517	0.4
133.10139	0.6
134.03647	0.2
135.08109	0.2
137.05977	0.3
143.08546	0.3
145.04967	1.8
145.10086	0.4
147.02850	0.4
153.01746	0.3
157.10146	0.2
159.02872	2.1
159.11697	0.5
161.06026	0.2
161.13171	0.2
163.11218	0.2
165.05519	0.3
167.07036	2.0
167.10686	0.5
175.14845	0.3
183.11681	0.4
201.05484	0.5
203.03374	0.5
219.06427	0.3
221.04469	0.8
231.04982	0.8
236.06851	0.5
253.04979	0.2
254.05515	0.2
261.09055	0.3
267.06546	0.6
269.08215	0.3
277.08578	0.3
281.08109	0.6
282.05142	0.5
283.06271	0.3
289.08594	0.3
292.07288	0.3
293.04388	0.5
295.05984	0.7
295.09286	0.3
297.07553	0.8
298.04697	2.5
307.09549	0.5
309.07596	2.2
310.04681	0.9
311.05466	0.4
313.07043	5.7
317.08026	0.3
320.06857	0.8
321.07568	0.2
321.11185	0.3
323.05438	0.6
323.08984	0.4
324.06171	0.5
324.09888	0.3
325.06970	2.1
325.10403	0.4
327.08627	0.3
333.07669	0.4
334.08289	1.4
335.09045	1.7
336.06253	0.3
337.07043	5.6
337.10446	0.2
338.07779	1.0
339.08633	0.6
339.12344	0.3
349.10779	1.7
351.08627	0.5
352.09387	7.0
361.10544	0.5
365.10214	0.4
367.11728	100.0
368.12134	0.6
379.11765	1.0
409.12555	0.4
435.17905	0.3
453.19226	2.4
511.28705	1.4
615.24878	0.3
615.40253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.1
56.69747	0.1
57.03409	0.1
67.05495	0.2
67.73677	0.1
69.07044	0.3
69.70765	0.7
70.04077	0.1
70.06544	0.2
71.04995	0.2
72.08144	0.1
79.05481	0.2
81.03389	0.2
81.07025	0.2
84.08122	0.3
85.02915	0.5
91.05431	0.1
93.06931	0.1
95.04926	0.1
95.08578	0.2
97.02881	0.3
99.04443	0.1
105.07029	0.1
107.04929	0.3
109.02808	0.1
112.07572	0.1
112.65647	0.1
116.01305	0.1
118.04144	1.7
119.04904	0.3
120.13548	0.1
123.04403	0.3
124.01521	0.3
127.03934	0.5
127.05025	0.1
133.10095	0.2
134.18071	0.1
135.04408	0.2
140.07094	0.2
145.02831	0.1
145.06444	0.1
147.04378	0.3
151.03886	0.1
152.01013	0.4
153.01816	2.9
153.79201	0.1
159.20285	0.1
161.05995	0.1
163.03928	0.2
167.03349	0.2
167.07030	1.8
168.06421	0.6
170.02094	1.9
181.04913	0.9
182.05247	0.3
207.06496	0.1
211.09698	0.2
213.05496	0.3
215.07010	0.1
229.08667	0.3
242.05702	0.4
255.06430	0.1
257.08099	0.2
258.37030	0.1
267.06412	0.1
269.04419	6.9
270.05206	22.9
271.05740	0.9
272.06329	0.5
285.07550	100.0
286.07901	1.7
366.04010	0.1
452.17828	0.1
596.21289	0.1
614.17896	0.8
614.42938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.29682	0.8
52.92793	0.9
53.03938	2.0
55.01877	1.3
55.05507	15.5
57.03450	5.1
57.07069	3.8
65.03925	2.1
67.05504	48.9
69.07065	17.5
71.04983	1.3
71.08613	1.3
71.54115	1.4
79.05493	25.7
81.07056	51.7
83.04967	1.6
83.08614	9.7
85.06544	1.1
91.04968	0.8
91.05479	22.8
91.39226	0.8
93.07044	32.1
95.04967	3.2
95.08604	42.1
97.06535	2.5
97.10159	4.6
100.67319	0.9
103.05473	1.0
105.07030	20.3
105.07739	1.0
107.08588	24.6
109.06495	1.0
109.10152	23.5
111.08086	2.6
117.07006	10.0
119.08585	23.2
121.10123	17.4
123.08086	1.1
123.11728	7.7
123.31667	0.8
129.07021	3.8
131.08562	16.4
133.10129	17.4
135.08221	0.9
135.11691	12.8
137.13239	2.9
141.06973	1.8
142.07817	1.3
143.08563	5.9
145.10126	17.3
145.11284	1.2
147.11699	13.9
149.13246	7.6
155.08585	1.8
157.10139	5.3
159.11699	14.1
161.13246	9.0
163.14830	5.0
169.10149	2.1
171.11636	5.0
173.13246	9.6
175.14795	4.4
177.16356	1.4
183.11765	2.7
184.05054	1.0
185.13182	5.6
187.14819	6.4
189.16418	3.2
197.13333	3.0
199.14824	4.1
201.16411	2.8
203.17982	1.4
211.14873	1.1
213.16432	3.0
215.18001	1.6
217.19545	1.7
229.19604	1.5
231.21126	1.4
233.18857	1.3
239.18019	1.0
241.19662	2.2
243.21170	2.3
247.20526	1.1
250.56517	0.9
259.20578	6.2
261.22189	8.3
279.23138	1.1
301.25317	1.1
303.23230	1.2
315.23480	1.2
317.24762	2.0
327.26923	1.2
333.24191	4.8
335.25833	13.6
337.27396	9.4
347.25549	1.1
399.73166	1.1
491.37677	1.1
521.43457	4.0
529.38519	1.4
539.44672	2.2
557.42517	1.2
595.47180	11.6
613.48236	100.0
614.48578	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	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03948	0.7
55.01852	1.0
55.05505	12.0
57.03433	4.3
57.07067	3.0
60.79900	0.8
64.46439	1.0
65.03951	1.8
67.05501	47.0
67.05870	2.2
69.07064	16.9
71.04985	1.8
71.08609	1.0
71.63193	2.4
79.05487	27.4
80.71917	0.8
81.07051	51.3
83.04978	1.2
83.08611	8.3
85.06528	1.8
91.05471	17.1
93.07041	31.0
95.04400	1.0
95.04971	2.7
95.08596	36.8
97.06517	2.0
97.10165	5.4
105.07029	20.2
107.08591	18.1
107.09296	1.8
109.06527	1.2
109.10149	20.9
110.48945	0.9
111.08076	1.6
111.11704	1.1
117.07009	8.9
119.08573	22.1
121.10133	17.4
123.11693	7.8
125.09599	1.2
129.07005	4.0
131.08560	16.6
133.10117	16.2
135.11679	13.6
137.13272	3.5
141.07068	1.1
143.08527	4.8
145.10117	14.6
147.11691	14.0
149.13254	8.1
155.08569	1.4
157.10077	6.1
159.11687	13.3
161.13251	8.7
163.14825	4.2
167.08606	1.0
169.10210	1.9
171.11656	4.9
173.13239	9.9
175.14786	6.2
177.12724	0.9
177.16360	2.0
181.10167	1.5
183.11655	1.8
183.96626	1.0
185.13290	5.8
187.14835	4.9
189.16457	3.5
194.64687	0.8
197.13309	2.0
199.14865	2.6
201.16434	3.5
203.17934	1.0
209.11208	1.0
209.13139	1.2
213.16440	2.1
215.17883	2.1
217.19438	1.4
225.16418	1.2
226.45702	0.8
229.19560	1.6
231.21027	1.6
236.86543	0.9
241.19554	2.6
243.21146	1.5
245.22365	1.0
247.20535	1.1
259.20538	6.3
261.22064	7.2
313.24966	1.0
317.24603	1.1
325.25031	0.9
333.24274	5.6
335.25751	12.5
337.27322	6.9
400.18335	0.9
489.35989	1.2
503.37006	1.8
517.39044	1.0
521.43512	3.3
539.44720	2.0
543.40271	1.8
595.47192	10.6
613.48199	100.0
614.48480	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.2
53.03954	0.7
55.01880	0.3
55.05508	0.3
56.91788	0.2
61.02925	0.3
63.02391	0.2
64.14213	0.2
65.03933	0.5
67.05518	0.7
69.03428	0.4
71.30354	0.4
72.08199	0.2
75.01250	0.2
77.03911	0.3
78.04716	1.3
79.05488	1.8
81.03410	1.5
81.07062	0.8
85.02912	0.9
85.30146	0.2
91.05469	3.0
93.07038	2.4
95.04965	1.3
95.08610	0.8
96.00652	0.2
97.02879	0.6
97.06526	0.3
99.04485	0.3
103.05441	1.8
105.04492	0.2
105.07012	4.4
105.07664	0.4
106.04167	1.2
107.04920	1.7
107.08585	0.5
108.05764	0.3
109.02908	0.4
109.06502	0.5
110.82420	0.2
111.04439	0.2
115.05440	1.3
117.06985	1.3
118.04213	0.3
119.04932	0.9
119.08563	0.4
120.05730	0.8
121.06496	6.4
122.03674	0.4
123.04416	5.2
123.08083	0.4
124.05182	1.4
125.05976	0.5
127.03905	0.8
130.04099	0.2
131.04938	0.9
133.06467	3.9
134.03636	0.4
135.04413	0.6
135.08052	0.8
136.05206	0.8
137.05969	2.5
138.06755	1.3
139.07526	0.3
144.05666	0.2
145.06467	2.5
145.10168	0.2
146.06853	0.3
147.04410	0.9
148.05159	0.5
149.05949	1.4
151.03920	2.1
151.07491	1.8
152.04675	1.8
159.08026	0.5
159.11687	0.3
160.05208	0.4
161.05983	4.0
163.07524	1.5
165.05482	0.4
166.06259	2.1
167.07019	100.0
168.07367	2.1
173.05966	2.4
174.06450	0.4
175.03836	0.3
175.07497	0.6
177.05403	0.8
177.09053	0.3
178.06143	0.4
179.06987	0.6
181.05096	3.6
181.08571	46.0
182.05281	0.3
182.08893	0.8
187.07443	0.7
188.08246	0.8
189.05505	0.5
189.08821	0.4
190.06136	0.5
191.06966	5.1
192.07724	0.4
193.06805	0.5
193.08585	10.9
195.10115	0.9
199.07391	0.3
204.07773	0.9
205.08516	3.2
206.08900	0.8
207.06480	0.3
207.10086	0.9
209.07967	0.6
211.09630	4.0
217.08583	0.8
219.10120	3.3
220.10469	1.6
221.08002	0.3
223.09633	5.8
231.10161	1.3
232.10553	0.5
232.37019	0.2
233.07906	0.3
235.09624	0.8
236.09851	0.3
245.27225	0.3
249.11221	1.2
250.11452	0.7
263.08963	0.3
271.05945	0.3
278.09363	0.3
279.12192	1.0
280.12454	0.7
285.11078	0.7
295.05945	0.4
344.12106	0.2
345.12753	0.3
357.13229	0.4
365.09683	0.4
385.12473	0.8
385.17020	1.2
387.14499	1.1
398.16696	0.5
416.17551	0.9
416.22787	0.3
417.15054	0.7
613.22614	3.1
614.22021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34026	0.2
55.01850	0.4
55.05470	0.3
57.03384	0.9
61.02875	1.3
66.51964	0.3
67.05463	0.6
69.03426	3.3
71.04961	0.3
73.02872	0.6
73.40386	0.2
79.00251	0.2
79.05449	0.4
81.03348	0.9
81.07012	0.5
85.02899	5.4
87.04437	0.6
91.05389	0.4
93.06987	0.3
97.02872	2.0
99.04400	0.3
101.02310	0.3
105.03310	0.3
105.06953	0.3
109.02806	0.8
109.06498	0.3
119.08489	0.2
123.04380	0.6
127.03875	1.3
129.06920	0.3
131.04880	0.4
133.02792	0.7
133.10052	0.3
135.04486	0.3
135.11736	0.3
137.05910	1.1
145.04839	0.4
147.04329	0.3
149.05951	0.4
150.03065	0.4
151.03873	1.8
159.04327	0.8
159.07991	0.3
163.03839	0.5
165.05470	1.5
165.06615	0.3
167.07016	0.6
169.10060	0.3
171.11601	0.3
181.06407	0.3
183.08118	0.3
187.03828	0.4
187.07462	0.9
189.05379	0.5
199.07462	0.4
208.08760	0.3
211.07451	0.6
212.08272	0.3
213.05432	3.3
213.08873	0.3
225.05444	0.6
225.09013	0.7
226.09712	0.6
227.06984	0.5
239.10609	0.6
241.12180	0.6
249.09027	0.4
251.06993	0.9
253.08609	0.7
263.10519	0.3
266.09344	0.4
267.10138	1.4
269.08041	1.1
302.09415	0.4
307.09219	0.3
309.07523	0.4
310.04770	0.4
315.13531	0.3
319.09653	0.4
319.13187	0.4
321.07513	0.6
322.04642	0.3
325.06924	1.3
329.11734	0.8
330.08521	0.3
331.10013	0.3
333.11102	0.8
334.08301	0.6
335.09122	0.6
336.06403	0.6
336.09964	0.5
337.06961	0.3
339.08551	0.5
343.13196	0.4
345.11014	0.5
346.08310	1.7
347.09137	0.8
347.12952	0.6
348.09793	0.5
349.10699	0.9
351.08530	1.1
357.07443	0.5
357.11130	1.5
358.08350	0.7
359.09192	0.3
361.06873	0.6
361.10635	2.8
361.14499	0.6
362.07617	0.4
362.11557	0.4
363.08179	0.5
363.12308	0.9
364.09341	3.4
365.10287	0.7
367.11786	0.6
370.08313	0.6
371.12964	0.4
372.09613	0.3
373.10620	1.3
373.14832	0.5
375.08398	0.3
375.12329	2.7
376.09485	0.9
377.10156	1.1
379.11719	11.8
380.12082	0.4
381.13409	0.8
382.11929	0.5
383.12872	0.5
385.10715	3.2
386.11328	0.7
389.09576	0.4
389.14142	0.5
391.11658	2.0
395.11057	0.4
397.14264	1.1
399.12222	0.6
400.13074	2.8
401.13785	0.4
403.11774	3.8
405.12955	0.5
405.17764	0.4
415.15375	5.5
417.13147	1.2
418.08698	0.5
418.14084	7.7
431.15018	0.3
433.16452	100.0
434.16815	1.9
451.17468	2.8
457.16553	0.3
475.17487	1.2
541.17126	5.3
543.18701	0.5
557.16382	0.4
595.21716	57.2
596.22150	1.2
613.23206	2.4
613.31934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2274
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03976	0.7
53.54233	0.2
55.01896	0.5
55.05529	0.2
57.03440	1.2
57.52002	0.2
59.05042	0.2
61.02922	2.2
65.03994	0.2
67.05523	0.7
69.03429	6.3
69.85919	0.4
69.86322	1.2
71.01388	0.3
71.05008	0.5
73.02924	1.3
79.05535	0.4
81.03418	2.0
81.07088	0.4
83.01372	0.4
85.02899	13.9
87.04462	1.0
89.03969	0.2
91.03998	0.7
91.05561	0.3
93.07036	0.2
95.03348	0.2
97.02890	4.1
99.04446	1.0
101.02416	0.4
105.07081	0.3
107.04959	0.3
108.73001	0.2
109.02883	1.7
109.06527	0.3
123.04472	0.4
127.03905	2.4
129.07112	0.2
133.02931	0.4
134.03726	0.3
135.04488	0.6
137.06081	0.7
143.08611	0.3
145.04987	1.1
150.03247	0.4
151.03899	1.6
153.05530	0.2
157.06435	0.3
159.04475	0.6
163.03954	0.8
165.05516	1.1
167.07076	0.4
171.04446	0.3
171.08092	0.3
183.08160	0.3
187.07629	0.6
189.05537	0.4
196.08867	0.2
197.05977	0.2
199.07544	0.4
201.09167	0.3
201.48918	0.2
209.09637	0.2
211.07693	0.4
212.08340	0.3
213.05470	1.5
213.12808	0.3
220.84372	0.2
221.09807	0.2
223.11256	0.3
225.05534	0.5
225.09114	1.0
226.09990	0.5
227.07233	0.3
239.07045	0.4
239.10753	0.6
241.12233	0.4
245.09662	0.3
249.09224	0.3
251.06981	1.0
253.08661	0.9
263.10913	0.3
267.10153	1.1
269.08026	1.0
275.07169	0.2
275.10260	0.2
279.10333	0.2
287.09198	0.4
289.08850	0.3
290.09470	0.4
291.10223	0.3
292.07397	0.3
293.08304	0.3
301.08682	0.7
301.12286	0.3
303.10107	0.3
304.07382	0.2
305.08344	0.3
305.11630	0.3
307.09665	0.4
310.04791	0.7
311.10663	0.3
313.08203	0.2
314.09540	0.3
315.10175	0.3
317.08093	0.2
318.08853	0.5
319.09692	0.5
319.13336	0.4
321.07596	0.3
322.04697	0.5
325.07071	1.0
329.08133	0.4
329.11786	0.6
331.09796	0.4
333.07690	0.3
333.11331	0.7
334.08386	0.3
335.09320	0.7
336.06192	0.4
336.09897	0.3
337.07123	0.5
337.10791	0.3
339.08844	0.4
343.09714	0.3
344.14197	0.3
345.07681	0.3
345.11383	0.5
346.08386	2.3
347.09109	1.4
347.12866	0.6
348.09799	0.6
349.06833	0.3
349.10794	0.6
351.08603	1.3
357.11176	1.4
358.08267	0.5
358.11981	0.2
359.09225	0.4
359.13144	0.3
360.10153	0.3
361.06348	0.4
361.10663	4.1
361.14514	0.4
362.07703	0.3
363.08591	1.4
363.12357	0.5
364.09424	3.3
365.10394	0.8
367.11969	0.5
370.08429	0.3
371.08835	0.3
371.12894	0.8
372.09579	0.4
372.13782	0.3
373.10583	1.3
375.08502	0.4
375.12338	2.7
376.09360	0.7
377.10092	1.1
378.11053	0.4
379.11755	9.8
382.12076	0.4
383.12842	0.6
385.10690	2.9
385.15408	0.2
386.11423	0.4
387.12158	0.3
388.09491	0.5
389.10043	0.8
389.13928	0.8
390.14725	0.4
391.11600	2.2
391.15756	0.3
397.14148	0.9
399.12323	0.6
400.12997	2.8
401.13712	0.6
403.11768	3.9
405.13040	0.5
405.17502	0.4
415.15421	5.6
417.13501	0.5
418.14087	7.8
433.16461	62.7
434.16696	0.6
451.17499	100.0
452.17709	1.1
475.17599	1.1
493.18237	0.3
577.20929	0.4
595.21729	0.8
613.22754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	1.2
53.17523	0.3
55.01845	0.6
55.05497	0.4
56.03427	0.3
57.03424	2.0
61.02917	2.8
67.05457	0.5
69.03422	8.4
69.07021	1.0
70.94255	1.0
71.04966	2.0
73.02917	2.0
76.30683	0.3
81.03405	2.4
81.07037	0.6
83.01278	0.3
83.04927	1.2
85.02895	17.0
87.04414	1.2
88.63174	0.4
89.03900	0.3
91.03910	0.9
91.05420	0.4
93.07005	0.6
95.04915	0.5
95.08575	0.6
97.02879	5.6
99.04395	1.3
101.02373	0.3
103.03865	0.3
109.02868	2.1
109.10136	0.4
111.04379	1.2
117.03328	0.7
119.08546	0.4
121.06448	0.4
123.11715	0.4
127.03891	3.2
129.05431	0.8
129.06982	0.4
131.08525	0.5
133.10039	0.5
134.03514	0.8
135.08060	0.4
137.05884	0.5
145.04941	1.9
145.06448	0.3
147.04391	0.5
147.06482	0.7
147.11687	0.4
148.05132	0.3
149.06000	0.6
151.03850	1.1
153.05360	0.3
159.04459	0.3
163.05981	0.4
167.07037	3.6
173.05884	0.4
183.20305	0.3
187.07501	0.4
193.08469	0.5
195.02806	1.1
208.08527	0.3
209.05875	0.5
211.09586	0.4
213.05402	1.3
225.05437	0.4
225.09004	0.3
228.04178	0.3
229.04933	0.6
237.09280	0.4
249.09169	0.6
251.06973	0.3
253.04936	1.5
253.08421	0.4
254.05548	0.5
260.08133	0.5
261.08960	0.4
263.06879	0.5
282.05093	0.9
289.08771	0.7
293.04370	0.8
293.07605	0.3
293.12201	0.7
295.05960	0.6
298.04593	0.5
301.08499	0.4
305.08063	0.8
306.08859	0.9
307.06134	0.5
307.09506	0.4
309.07422	0.6
310.04678	19.5
311.05197	0.9
313.06879	1.5
316.07263	0.5
317.08154	0.5
319.09589	0.5
321.11108	0.6
322.04749	0.4
323.05554	0.5
323.09247	0.4
323.12790	0.9
324.02646	1.0
324.06155	0.7
325.07022	68.7
326.04004	0.6
326.07343	1.5
333.07684	0.6
333.11234	0.6
334.08267	2.0
335.09088	0.9
337.06995	0.6
337.10675	0.4
338.07727	0.7
339.04947	2.2
339.08789	1.0
341.06390	1.5
344.06653	1.0
345.11227	0.4
346.08371	0.5
347.09052	0.7
349.07065	0.6
349.10675	3.8
351.08389	0.6
351.12173	3.4
353.06415	0.6
353.10217	2.6
359.09103	1.7
361.10815	0.6
362.07840	4.3
363.08374	0.5
364.09384	1.1
365.10324	2.4
367.08267	0.7
367.11819	7.7
375.12378	0.8
377.10132	22.2
378.10580	0.7
379.11649	3.2
381.13330	1.5
385.10611	1.3
389.14005	0.5
391.11844	0.8
393.13434	0.7
395.07220	0.5
395.11374	5.3
397.14490	0.5
400.12881	0.5
403.11655	1.1
409.13055	0.4
415.15381	1.6
418.14102	2.0
433.16425	25.3
434.16922	0.6
451.17484	100.0
452.17886	2.3
541.17206	0.7
595.21722	7.4
613.22980	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	613.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
53.04175	0.3
55.01876	1.4
57.03430	2.6
57.93433	0.3
61.02921	1.6
65.03935	0.3
67.05504	2.1
67.76374	0.3
69.03423	13.8
69.07063	0.9
70.24136	1.2
71.01348	9.2
71.04993	1.7
72.08156	0.4
73.02918	2.6
79.05492	0.8
81.03410	7.6
81.07060	1.0
81.17357	0.3
83.01336	0.4
83.04992	0.4
85.02896	16.1
87.04482	0.7
89.02377	1.9
91.03944	0.5
91.05488	1.4
93.07043	0.6
95.04970	0.7
95.08618	0.6
97.02885	5.8
99.04441	3.2
100.89503	0.3
101.02402	0.5
103.03947	1.3
105.07013	0.7
107.04951	1.9
107.08565	0.8
109.02872	5.6
109.03582	0.5
109.10133	0.4
115.03941	0.5
115.05451	0.5
117.07030	0.4
119.04943	1.0
119.08607	0.6
121.02840	2.1
121.06483	0.3
121.10167	0.4
123.04426	1.7
127.03902	9.2
127.04791	0.6
129.06978	0.5
131.03423	1.0
131.04935	0.9
133.02872	0.6
133.10152	0.6
135.04459	0.7
135.11659	0.5
137.02390	0.7
137.06018	0.7
138.02705	0.3
143.03430	0.7
143.08540	0.5
145.04973	2.0
145.06390	0.4
147.04376	0.7
147.11687	0.4
149.06010	0.4
151.03886	0.4
151.07593	0.5
153.05545	0.6
159.04427	0.6
159.07976	0.4
161.06010	0.4
163.03937	0.4
167.07036	1.3
167.08389	0.5
168.12508	0.3
168.54283	0.3
171.08051	0.6
177.05490	0.5
181.04958	0.4
181.08662	0.8
183.08095	0.3
187.07530	0.7
189.05423	0.5
189.09114	0.3
191.03268	0.5
195.08095	0.6
199.07625	0.4
201.09120	0.3
203.06970	0.5
211.07458	0.5
213.05481	2.3
215.05521	1.3
227.06949	1.5
231.08171	0.7
237.09097	0.5
245.07948	0.3
253.08577	0.5
255.06482	0.4
256.08807	0.6
261.12900	0.4
265.08640	0.6
267.06561	0.8
274.09811	0.8
280.07184	0.4
281.07904	0.5
283.06033	0.9
289.12262	0.4
291.06473	0.3
293.08054	4.2
294.08667	0.3
295.06003	0.3
297.07574	1.2
302.09244	0.6
303.10287	0.4
305.08124	0.8
306.08923	0.5
307.06293	0.7
307.09616	0.9
307.12915	0.4
309.07529	21.5
310.04654	0.7
310.08011	1.0
311.05695	0.5
313.08078	0.3
317.11661	0.8
319.09799	0.9
320.06839	0.7
320.10278	0.7
321.07568	6.5
321.11169	1.4
323.09058	1.0
325.07001	2.3
327.10211	0.7
329.07892	0.4
331.09464	0.6
333.07532	2.6
334.08337	2.3
335.09094	2.9
335.12735	0.7
339.09103	0.6
345.07019	0.7
345.11191	12.8
346.08084	0.5
346.11859	0.5
347.09067	3.7
348.09915	3.4
349.10745	0.4
351.08524	1.3
353.10037	1.2
361.10712	1.0
363.12238	63.0
364.08713	0.5
364.13040	2.3
365.10190	2.5
366.10574	0.6
367.11679	0.9
369.11011	0.3
375.08527	0.4
377.10068	0.6
379.11798	3.5
380.12305	0.4
381.13290	100.0
382.13611	4.6
387.12262	1.0
393.13446	0.4
395.11414	0.6
405.13361	4.4
417.13467	0.6
421.16696	0.4
423.14288	2.8
429.12906	0.5
433.16461	3.4
447.14490	0.7
451.17535	9.4
452.17862	0.4
507.16592	0.4
525.17719	1.3
527.15808	0.6
543.18579	53.7
544.18835	3.2
569.15515	0.4
595.18250	2.1
613.18988	18.2
613.34729	0.7
614.19055	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	612.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.6
55.01859	8.6
55.05264	5.2
55.05503	40.8
55.49788	5.1
57.03425	48.1
65.03920	8.1
67.05499	73.7
69.03416	12.8
69.07060	29.1
71.04952	11.8
71.62543	9.7
76.16199	6.3
78.82311	6.3
79.05486	76.8
81.03408	58.2
81.07047	77.0
83.04966	17.6
83.08602	36.3
85.02897	31.1
85.06518	6.3
91.05463	100.0
93.07033	78.9
95.04974	36.4
95.08585	36.9
97.06519	13.0
97.10154	18.9
97.55823	6.0
99.08103	7.5
103.05540	6.9
105.07021	92.9
107.04951	11.9
107.08588	44.3
109.06538	12.6
109.10134	16.4
111.08047	13.0
116.06248	6.1
117.07005	44.2
119.08559	69.1
121.06480	9.0
121.10133	24.2
123.04409	7.1
123.08046	7.6
125.09601	13.1
128.06189	6.4
129.07008	36.0
131.08542	59.5
133.06416	8.0
133.10121	36.1
135.04361	6.0
135.08025	8.1
142.07736	6.4
143.08569	25.0
145.10123	56.9
147.11658	40.9
149.09599	21.3
151.25903	6.0
155.08578	10.9
155.39804	5.4
155.85229	6.9
157.10098	34.1
159.11687	58.3
163.11147	10.3
165.12769	5.7
169.10149	12.2
171.11678	8.2
173.13257	16.4
174.23518	6.8
175.11237	19.8
183.11668	18.5
185.13194	49.0
187.14786	5.5
193.12187	55.1
197.13257	6.6
203.14394	15.0
211.13257	57.5
219.17708	6.4
227.12781	13.4
229.19427	11.4
239.17941	20.6
257.18893	54.4
267.15872	24.7
275.20056	60.0
285.16959	75.4
331.22794	9.9
333.23822	9.6
348.14548	5.8
349.23694	32.4
431.29355	9.1
541.35077	15.6
559.36194	36.3
626.37952	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	611.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01857	1.3
55.05265	0.8
55.05510	12.7
57.03436	4.7
57.07061	2.5
65.03933	0.7
67.05500	31.7
69.07063	11.1
71.04982	2.0
71.08630	1.5
71.55292	1.5
75.04478	0.9
75.80383	0.7
79.05052	1.4
79.05484	21.1
81.03422	0.8
81.07047	28.9
81.07518	1.6
83.04974	2.6
83.08614	5.9
85.06539	1.1
89.06047	1.2
91.05469	19.5
93.07038	24.4
95.04955	3.2
95.08599	22.5
95.09225	0.8
97.06511	2.7
97.10153	2.9
99.08120	1.0
103.05473	1.2
105.07018	20.6
107.08586	15.7
109.06545	1.0
109.10150	10.5
111.08093	0.7
111.11745	0.9
115.05427	1.3
117.07008	9.2
119.08569	19.7
120.08949	0.8
121.06474	1.0
121.10119	12.4
123.08031	0.9
123.11724	3.9
125.09607	0.9
126.52165	0.7
128.06186	1.5
129.06990	6.3
130.07753	0.7
131.08557	15.5
133.08580	1.1
133.10126	15.7
135.08037	0.9
135.11679	8.3
137.13274	2.0
141.07014	1.1
142.07800	1.3
143.08553	9.2
145.10117	14.4
147.11676	13.3
147.12776	1.0
149.13257	4.9
154.59140	0.9
155.08499	4.0
157.10110	9.1
159.11676	12.0
161.13261	8.4
163.11183	0.8
163.14825	2.7
167.08542	1.4
169.10129	5.3
171.11678	9.3
173.13278	8.7
175.14793	4.7
177.16377	1.2
179.08499	0.9
181.10127	1.7
182.10562	0.7
183.11681	5.2
185.13229	8.4
187.14799	4.8
189.16367	1.2
192.16478	0.8
195.11688	1.6
197.13185	3.8
199.14801	5.2
201.16376	2.5
203.14354	0.8
206.88412	0.7
209.13324	1.3
211.14822	2.5
213.16394	3.1
215.17949	1.7
223.14836	1.3
225.16446	1.8
227.18018	1.7
229.19527	1.1
231.17313	0.9
231.21063	1.7
237.16367	0.9
239.17957	1.6
240.33174	0.8
241.19545	5.8
243.21036	1.4
246.92194	0.9
251.18004	0.9
253.19704	1.3
257.19107	1.9
259.20538	12.7
261.22186	2.1
285.22144	1.5
286.66998	0.7
289.21698	1.0
299.23666	1.1
311.23743	1.0
315.23355	1.2
333.24103	6.6
335.25793	12.5
339.26843	1.2
353.28311	1.5
367.30151	1.0
381.31470	0.8
393.31488	1.0
395.33490	1.0
449.33954	0.9
475.34335	0.9
501.35608	1.0
515.37317	1.0
519.42023	5.0
527.37048	1.3
537.43060	2.6
541.38306	0.9
544.63263	0.9
593.45605	6.7
611.46631	100.0
612.46881	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	611.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05507	13.8
57.03435	5.6
57.07058	3.2
59.29681	0.8
65.03944	2.4
67.05499	36.2
69.07061	14.3
71.06856	2.3
71.60438	0.8
79.05489	25.7
80.76472	0.8
81.06574	1.9
81.07048	31.7
83.04946	1.5
83.08593	6.0
85.06531	1.3
88.30534	0.7
91.05470	25.1
93.07035	30.3
95.04967	4.1
95.08601	29.9
95.09219	1.2
97.06547	2.0
97.10166	3.0
99.08098	1.6
103.05453	1.1
105.07021	25.7
107.08584	17.5
109.06530	1.4
109.10157	11.8
111.08088	1.3
117.07003	11.2
119.08572	23.5
121.10136	16.6
123.11685	3.8
123.67567	1.0
123.97673	1.0
125.09652	1.9
128.06158	1.3
129.06984	7.4
131.08562	18.5
133.10130	17.4
135.11659	9.3
137.09541	1.2
137.13219	1.7
141.07004	2.2
142.07782	2.0
143.08534	8.8
145.10115	17.8
147.11685	14.9
149.09567	0.8
149.13246	7.5
155.08556	4.6
157.10106	9.4
159.11688	14.3
161.13249	9.3
163.14819	3.2
167.08646	1.8
169.10086	5.1
171.11671	11.3
173.13246	10.7
175.14825	5.2
181.10104	1.6
183.11678	4.9
185.13248	7.3
187.14841	5.8
189.16365	1.5
195.11714	1.9
197.13292	4.5
199.14830	5.2
201.16417	2.1
207.11559	0.9
209.13170	2.0
211.14883	3.2
213.16470	2.6
215.17986	1.8
223.14804	1.8
225.16402	1.3
227.17995	2.6
231.21121	1.6
239.18031	2.8
241.19669	6.5
243.21028	1.9
257.18954	2.1
259.20563	15.8
261.22156	3.0
267.21167	1.0
275.20187	1.0
299.23761	1.2
303.23471	1.2
311.23727	1.3
333.24258	9.1
335.25800	15.6
337.27536	1.9
353.28027	1.1
399.18497	1.0
404.36060	0.9
519.41699	5.8
537.43060	3.7
541.38873	2.2
565.91302	1.1
593.45526	8.1
611.46649	100.0
612.46893	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	611.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99498	0.4
69.97538	1.6
72.08167	0.5
74.02448	0.7
81.22556	0.4
85.02890	0.6
91.05447	0.4
105.78507	0.3
109.94299	0.3
113.05994	1.7
115.05408	0.5
117.05762	0.6
117.07005	1.0
118.06528	12.3
119.04948	0.5
130.06503	1.5
132.08086	4.6
137.05934	0.4
142.06511	1.2
143.07254	1.4
144.04413	0.8
144.08078	10.1
146.05992	55.8
147.04390	0.7
147.06250	0.6
159.09158	5.8
160.07524	0.6
170.05991	3.4
172.48776	0.4
175.08679	0.6
188.07045	100.0
189.07346	1.1
205.09706	51.7
206.09987	0.6
207.06493	0.5
221.09192	0.8
227.16425	0.4
240.97493	0.3
254.76402	0.4
260.91339	0.3
300.06207	0.4
336.78372	0.3
512.32660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25320	1.3
53.03945	2.3
55.01868	2.5
55.05510	18.3
57.03436	6.4
57.07082	2.6
58.88192	1.4
65.03924	2.7
67.05502	38.1
69.03433	1.5
69.07071	15.2
69.64431	1.2
69.70637	8.0
69.71050	2.2
71.04986	2.7
71.72448	1.5
72.40031	1.2
79.05495	30.6
79.05957	2.0
81.03421	6.2
81.07054	38.1
81.07508	2.3
82.07397	1.8
83.04989	2.2
83.08606	7.6
85.06544	2.7
91.05476	23.8
93.07040	33.5
94.07431	1.6
95.04977	4.2
95.08603	34.0
97.06557	2.2
97.10170	3.9
105.07021	25.7
107.08586	21.4
109.10152	14.4
111.08104	2.0
111.14568	1.7
117.06990	9.5
118.35775	1.5
119.08574	22.0
121.10134	15.4
123.11706	3.0
125.09602	1.8
128.06213	3.4
129.06979	6.5
131.08571	15.4
133.10139	17.2
133.11121	2.2
135.11679	11.6
142.07761	2.1
143.08589	9.1
145.10117	16.5
147.11691	12.8
149.13275	6.8
155.08580	3.8
157.10124	9.8
159.11702	14.5
161.13235	9.2
163.14828	2.6
169.10175	5.2
171.11729	10.2
173.13269	10.3
175.14879	4.8
178.95845	1.3
181.10072	2.2
183.11719	5.3
185.13278	7.8
187.14844	6.7
187.70915	1.5
193.12022	1.7
195.11803	1.8
197.13266	3.8
199.14871	6.1
201.16449	3.1
209.13286	1.7
211.14827	1.9
213.16417	4.1
215.18047	2.8
223.14931	1.7
225.16432	2.3
229.19646	1.9
233.45003	1.5
241.19612	7.4
257.19174	1.8
259.20526	12.5
261.22119	4.0
267.16086	6.1
270.49680	1.5
311.23434	1.5
333.24286	7.5
335.25775	20.6
343.59171	1.5
519.42029	4.7
527.36835	3.1
537.42767	3.0
541.38647	1.8
593.45599	8.5
611.46661	100.0
612.46777	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	611.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70139	0.3
57.03416	1.2
57.54654	0.3
58.36368	0.3
67.01846	0.3
69.03413	0.9
69.45048	1.9
69.45472	1.0
69.68020	0.3
70.06573	0.6
71.04987	7.4
72.08150	0.6
73.02905	0.4
78.04276	0.4
78.04700	1.2
79.05077	0.4
79.05479	2.0
81.03408	0.8
81.07031	0.7
83.81769	0.3
84.08120	0.3
85.02898	9.7
91.05465	1.4
93.07029	0.9
95.04964	1.6
97.02889	1.1
103.05440	0.5
104.00680	0.3
105.07018	1.0
106.04159	1.2
107.04933	4.5
109.02878	0.7
111.04408	0.5
115.05490	0.4
117.03336	0.5
117.06989	0.4
119.04911	0.4
121.06467	0.9
123.04408	3.9
124.05177	1.9
125.05994	0.6
127.03910	1.0
129.05502	2.5
129.07007	0.4
131.08508	0.5
133.06488	0.7
135.04401	0.9
137.05966	0.8
141.06946	0.4
142.67953	0.3
143.03413	0.3
144.05737	0.4
145.02853	1.7
145.06496	0.5
147.04378	1.4
147.06488	0.4
149.05962	1.3
151.03860	1.4
152.04660	1.2
153.00581	0.4
153.01804	6.3
153.05402	0.4
156.05659	0.4
159.08034	0.9
161.05969	1.1
163.03923	1.5
165.01807	0.7
167.07022	100.0
168.07399	0.7
171.02895	2.8
173.05963	0.4
175.03902	0.4
175.07587	0.5
177.01820	0.6
177.05466	3.9
179.03383	0.5
179.07024	1.0
181.04953	0.6
181.08578	2.0
183.02832	0.8
187.07530	1.1
190.06229	0.5
191.03357	1.0
193.08611	4.4
195.02879	5.5
195.06509	0.5
205.08557	3.3
207.06519	2.1
207.10182	0.4
209.08073	0.7
210.06747	1.0
211.07768	0.4
211.09666	3.3
217.08534	1.1
219.02817	1.9
219.08105	0.7
219.10172	0.4
231.02962	0.4
231.08015	0.8
236.08435	0.4
238.06303	0.7
245.04532	0.9
247.07533	0.5
248.08278	0.8
249.09267	0.3
251.14861	0.3
256.07306	0.5
261.04150	0.4
262.09930	0.4
263.05591	1.3
263.10599	0.7
264.07825	0.6
265.08582	0.6
266.05646	0.3
269.08112	0.4
271.09641	2.5
275.06958	0.4
276.07806	0.7
277.08588	0.3
279.10123	1.1
279.33951	0.3
281.06287	0.4
282.08890	0.5
285.07593	0.4
290.09143	0.6
291.10068	0.6
292.07147	0.4
293.07999	0.9
299.09216	0.9
301.07129	0.8
303.05054	0.7
303.08578	12.4
307.09598	0.9
308.10477	1.0
315.08649	1.6
319.09442	0.5
323.12735	1.8
325.10529	0.4
327.08514	0.6
330.11038	0.7
331.11792	2.9
337.10806	0.8
339.12289	0.7
343.11682	0.7
345.09665	1.4
351.12296	2.1
353.10162	0.9
367.21744	0.5
368.12384	0.6
369.09421	1.7
371.14856	1.0
383.10114	0.7
383.14819	7.8
386.88272	0.3
395.11270	0.4
401.15915	13.6
411.10822	0.7
413.12186	0.9
431.13654	0.7
447.12939	0.8
449.14328	0.5
465.13785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70139	0.3
57.03416	1.2
57.54654	0.3
58.36368	0.3
67.01846	0.3
69.03413	0.9
69.45048	1.9
69.45472	1.0
69.68020	0.3
70.06573	0.6
71.04987	7.4
72.08150	0.6
73.02905	0.4
78.04276	0.4
78.04700	1.2
79.05077	0.4
79.05479	2.0
81.03408	0.8
81.07031	0.7
83.81769	0.3
84.08120	0.3
85.02898	9.7
91.05465	1.4
93.07029	0.9
95.04964	1.6
97.02889	1.1
103.05440	0.5
104.00680	0.3
105.07018	1.0
106.04159	1.2
107.04933	4.5
109.02878	0.7
111.04408	0.5
115.05490	0.4
117.03336	0.5
117.06989	0.4
119.04911	0.4
121.06467	0.9
123.04408	3.9
124.05177	1.9
125.05994	0.6
127.03910	1.0
129.05502	2.5
129.07007	0.4
131.08508	0.5
133.06488	0.7
135.04401	0.9
137.05966	0.8
141.06946	0.4
142.67953	0.3
143.03413	0.3
144.05737	0.4
145.02853	1.7
145.06496	0.5
147.04378	1.4
147.06488	0.4
149.05962	1.3
151.03860	1.4
152.04660	1.2
153.00581	0.4
153.01804	6.3
153.05402	0.4
156.05659	0.4
159.08034	0.9
161.05969	1.1
163.03923	1.5
165.01807	0.7
167.07022	100.0
168.07399	0.7
171.02895	2.8
173.05963	0.4
175.03902	0.4
175.07587	0.5
177.01820	0.6
177.05466	3.9
179.03383	0.5
179.07024	1.0
181.04953	0.6
181.08578	2.0
183.02832	0.8
187.07530	1.1
190.06229	0.5
191.03357	1.0
193.08611	4.4
195.02879	5.5
195.06509	0.5
205.08557	3.3
207.06519	2.1
207.10182	0.4
209.08073	0.7
210.06747	1.0
211.07768	0.4
211.09666	3.3
217.08534	1.1
219.02817	1.9
219.08105	0.7
219.10172	0.4
231.02962	0.4
231.08015	0.8
236.08435	0.4
238.06303	0.7
245.04532	0.9
247.07533	0.5
248.08278	0.8
249.09267	0.3
251.14861	0.3
256.07306	0.5
261.04150	0.4
262.09930	0.4
263.05591	1.3
263.10599	0.7
264.07825	0.6
265.08582	0.6
266.05646	0.3
269.08112	0.4
271.09641	2.5
275.06958	0.4
276.07806	0.7
277.08588	0.3
279.10123	1.1
279.33951	0.3
281.06287	0.4
282.08890	0.5
285.07593	0.4
290.09143	0.6
291.10068	0.6
292.07147	0.4
293.07999	0.9
299.09216	0.9
301.07129	0.8
303.05054	0.7
303.08578	12.4
307.09598	0.9
308.10477	1.0
315.08649	1.6
319.09442	0.5
323.12735	1.8
325.10529	0.4
327.08514	0.6
330.11038	0.7
331.11792	2.9
337.10806	0.8
339.12289	0.7
343.11682	0.7
345.09665	1.4
351.12296	2.1
353.10162	0.9
367.21744	0.5
368.12384	0.6
369.09421	1.7
371.14856	1.0
383.10114	0.7
383.14819	7.8
386.88272	0.3
395.11270	0.4
401.15915	13.6
411.10822	0.7
413.12186	0.9
431.13654	0.7
447.12939	0.8
449.14328	0.5
465.13785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2117
Annotation	2,4-Divinylprotochlorophyllide
Peak:m/z	Relative Intensity
53.03922	2.3
55.01855	1.0
55.05486	0.8
55.75798	0.5
57.03432	2.7
59.04982	0.5
61.02924	3.9
67.05482	1.5
69.03426	12.8
69.07043	2.0
70.06574	0.7
71.01323	0.9
71.04964	1.3
71.62849	0.8
72.08130	1.0
73.02881	2.3
79.05463	2.1
81.03408	4.4
81.07053	3.4
83.04961	1.2
84.08154	0.6
85.02898	21.0
85.06527	1.1
86.09674	0.8
87.04468	2.6
91.03944	1.2
91.05462	2.3
93.07054	2.6
95.04942	1.3
95.08602	2.5
97.02271	0.9
97.02883	11.5
97.06519	0.6
98.09644	0.7
99.04436	2.0
99.08118	0.5
101.02364	0.8
103.03931	0.6
103.05447	0.9
105.03376	0.6
105.07045	2.5
105.50508	0.5
107.04918	1.6
107.08583	2.2
108.87065	0.5
109.02861	3.4
109.06477	1.0
109.10126	1.9
111.08061	0.7
112.03513	0.6
115.05421	0.6
117.07007	0.9
119.04906	1.5
119.08540	0.9
121.02780	0.8
121.06474	1.6
121.10102	1.4
123.00648	0.5
123.04404	1.7
123.11644	0.8
124.05190	1.1
125.09568	0.8
127.03903	7.4
129.06993	1.0
131.04898	1.4
131.08527	1.9
133.02844	1.1
133.10124	1.1
134.03635	0.8
135.04369	1.0
135.08054	0.7
135.11609	0.7
137.02356	0.5
137.05995	2.5
143.08525	0.7
145.02879	0.8
145.04927	1.6
145.06485	1.0
145.10121	1.2
147.04410	3.1
147.11705	1.1
149.05939	1.7
149.09584	0.9
149.95554	0.5
150.03177	0.6
151.03906	3.7
151.07529	1.4
152.04651	1.4
153.05423	1.0
157.06497	1.4
157.10004	0.6
159.04399	5.9
159.07982	0.9
161.06006	0.9
163.03899	1.3
165.05464	3.6
167.07036	26.1
168.07321	1.2
173.09543	0.5
175.07430	0.7
175.11090	0.5
177.05493	3.2
179.06880	0.6
181.04907	0.7
181.08572	1.5
181.10056	0.6
185.05952	0.7
186.06673	0.6
187.07520	4.6
189.05443	1.7
191.06931	0.8
193.08556	2.1
203.06992	0.6
205.08444	0.8
207.06448	0.7
211.09537	0.7
213.05475	20.9
214.05884	0.6
221.09576	0.7
223.07672	0.6
224.08263	0.7
229.04884	1.1
231.06540	1.3
233.09723	0.5
237.09047	1.2
239.07153	0.6
239.10393	0.9
240.04167	0.7
241.08589	0.8
247.07520	0.7
251.07336	0.7
251.10559	0.6
258.05151	0.5
261.09015	0.6
264.07773	1.1
265.08542	2.2
266.05829	0.5
267.06573	0.6
267.10269	0.6
271.05988	1.5
271.09567	0.8
277.08539	1.0
279.10184	1.0
289.08728	1.1
290.09409	0.8
292.07373	0.7
293.08044	1.1
299.10638	0.7
305.08136	0.7
307.09570	1.1
310.04785	1.4
313.07440	0.6
314.27185	0.5
317.08240	1.1
317.11697	0.9
318.08768	2.0
319.09799	1.3
321.07385	1.6
322.04871	0.8
323.09409	0.7
325.07086	3.6
325.10800	0.8
327.09976	1.7
331.09366	0.7
333.07617	0.7
333.11255	1.3
334.08249	0.9
335.09119	1.2
336.06326	2.5
336.10022	1.0
337.07074	1.3
337.10822	1.0
341.11826	1.1
343.13531	0.6
345.07498	0.9
345.11276	0.9
346.08347	10.3
347.09036	1.8
348.10065	1.0
349.07101	1.3
349.10742	1.4
351.08603	5.3
351.12350	0.8
355.09604	0.7
359.09039	1.3
359.13007	0.9
361.10669	12.8
362.07663	4.3
362.11316	0.6
363.08472	3.5
363.12476	1.3
364.09387	14.5
365.10178	1.8
367.11685	0.7
369.11154	0.8
370.12036	1.3
371.12820	0.9
373.07114	0.6
373.10800	5.7
374.07755	1.1
377.10178	10.7
378.10773	1.6
379.11743	76.7
380.12094	3.1
383.09256	1.6
383.14542	0.7
384.13565	0.8
386.08026	0.9
387.12485	1.1
388.08771	2.4
388.13452	1.2
389.10022	2.0
389.13980	1.7
391.11786	1.6
395.11270	1.1
397.10858	1.3
398.11441	6.5
399.12262	2.0
401.10236	6.4
401.15762	1.6
403.11584	0.6
403.15619	6.1
413.13812	10.7
413.30695	0.8
414.14658	0.7
415.11813	1.0
416.12527	11.2
417.13068	0.9
421.16699	13.8
429.13715	0.8
431.14886	100.0
432.15143	5.2
449.15945	93.1
450.16278	5.3
473.15973	2.3
491.16849	1.1
539.15735	0.7
541.16858	2.8
583.21851	1.1
593.20154	41.4
594.20697	2.1
611.21130	49.7
611.37170	1.6
612.21661	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	611.1971
Annotation	Neohesperidin
Peak:m/z	Relative Intensity
52.51521	0.4
53.03947	0.8
54.76548	0.4
55.01861	0.8
55.05499	1.4
57.03430	9.2
59.82772	0.4
60.62101	0.4
61.02907	0.9
65.03954	0.7
67.01869	2.8
67.05482	0.6
68.99789	1.8
69.00126	0.4
69.03422	7.1
69.07050	1.1
70.06571	0.9
71.01342	0.7
71.04987	58.8
71.62831	0.7
72.08154	1.0
73.02899	2.2
75.04469	2.2
79.05485	1.2
81.03403	3.4
81.07045	1.0
83.04983	3.1
84.08135	0.7
85.02897	72.8
85.06564	0.6
86.06057	0.7
87.04465	2.3
89.03912	1.1
91.05476	2.1
93.03355	0.7
93.07021	1.2
95.04967	2.9
95.08602	1.3
97.02865	4.1
97.06532	0.5
97.22090	0.5
99.04443	1.9
103.03955	0.7
105.07021	1.4
107.04952	2.4
107.08560	0.9
109.02886	3.2
109.06478	0.5
109.10152	0.7
111.00839	0.6
111.04442	3.0
117.03393	3.9
119.04928	1.1
119.08576	0.7
121.02863	1.9
121.10123	0.7
123.04430	2.6
124.03951	1.6
125.02355	2.1
125.05979	1.2
127.03901	5.2
129.05467	17.9
129.52260	0.4
131.04913	0.7
133.06456	0.4
133.10109	1.1
134.09669	1.6
135.04399	5.0
137.05997	3.0
139.03807	0.4
144.13785	0.6
145.02823	14.5
145.04770	0.8
145.10110	0.5
146.29068	0.5
147.04382	2.6
147.06505	3.9
149.02347	0.9
149.05966	2.2
151.03853	2.4
151.07513	4.1
153.01811	46.8
153.05383	1.1
161.05923	0.5
162.03102	0.4
163.03882	3.6
165.01810	6.4
165.05484	0.6
167.07028	11.5
167.08411	0.8
171.02875	23.5
175.03929	1.0
175.14687	0.5
177.01900	4.2
177.05452	31.3
179.03387	6.1
181.04967	0.7
183.02872	7.5
191.03369	7.8
193.01309	0.6
193.04939	0.4
193.08563	1.2
195.02872	44.9
197.00937	0.4
201.05600	0.5
203.03383	3.5
205.05028	0.4
207.02879	2.0
207.06279	0.8
209.04378	1.1
213.03903	1.5
215.06949	0.8
217.04910	1.4
219.02873	16.9
219.06316	0.7
221.04433	1.7
231.02898	4.0
233.04422	0.8
237.03972	1.1
243.02881	0.9
245.04427	8.6
249.03973	3.6
258.05197	0.7
259.05685	0.6
261.03876	4.6
261.06635	0.5
263.05469	11.3
269.04355	0.5
279.04941	1.5
281.06464	4.1
285.07455	0.8
286.04630	1.5
287.05258	2.2
288.05502	0.9
297.06174	2.0
298.95523	0.5
299.07715	1.2
301.07071	3.2
302.07437	2.9
303.08594	100.0
304.08881	0.8
308.25830	0.5
315.08612	7.0
323.08051	0.6
327.08505	5.2
329.06625	0.6
345.09644	12.2
353.09869	0.6
357.09525	0.6
369.09671	11.8
381.09674	2.4
383.14951	0.5
393.09375	0.7
395.11465	2.3
399.10684	1.1
401.15866	1.2
407.09561	0.6
411.10626	2.9
413.12338	7.9
425.10745	0.8
429.11661	3.7
431.13388	3.6
447.12766	4.6
449.14551	2.8
455.13232	0.5
465.13892	3.2
554.19696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03929	0.3
55.01861	0.4
55.05500	0.5
57.03222	0.2
57.03434	1.8
61.02912	0.6
63.80095	0.2
67.05500	0.4
69.03427	1.5
70.06582	1.5
71.01346	0.2
71.04989	10.5
72.08159	2.3
73.02898	0.4
74.06057	0.2
75.04470	0.7
79.05470	0.3
81.03393	0.8
83.04961	0.5
84.04474	0.3
84.08132	0.8
85.02902	14.8
86.06074	0.3
86.09701	0.6
87.04454	0.4
89.10799	0.3
91.05454	0.6
93.07028	0.3
95.04973	0.4
97.02898	3.2
97.06514	0.2
98.03195	0.3
98.06045	0.4
99.04448	0.3
105.07036	0.6
107.04951	0.7
107.68605	0.2
109.02868	1.0
110.02437	0.3
111.00798	0.7
111.04410	0.2
114.10301	0.3
115.05494	0.3
115.08716	0.2
119.04926	0.7
120.08080	0.9
121.02865	1.0
123.04396	0.5
125.02364	0.2
127.03925	2.5
129.05475	3.6
129.10237	0.3
133.06483	0.4
135.04434	0.3
136.07538	0.5
137.02338	2.2
137.06013	0.3
145.01067	0.2
145.04930	0.8
147.04399	2.8
147.06418	1.1
149.02354	0.5
151.03889	0.3
152.07115	0.5
153.01843	2.9
161.05991	0.8
163.03923	0.7
164.07108	0.2
165.01828	1.6
167.07053	3.9
175.08749	0.2
177.05533	0.5
181.08563	0.2
183.02855	0.6
183.04459	0.4
183.30342	0.2
191.07059	0.3
193.08556	0.5
201.05440	1.3
203.06953	0.3
207.06494	0.2
219.06631	0.3
220.05637	0.2
229.04962	3.1
247.06015	0.9
257.04370	1.8
257.73724	0.2
274.04745	0.7
285.03885	1.1
303.04977	100.0
304.05313	2.2
315.04630	0.2
323.19003	0.3
400.12247	0.3
401.16138	0.4
416.76096	0.2
465.10135	0.7
611.21411	0.3
611.30640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03938	0.1
54.82680	0.1
55.01862	0.1
55.05503	0.1
57.03435	0.1
61.02909	0.2
67.01855	0.3
67.05508	0.1
68.99803	0.3
69.03426	0.5
69.19339	0.1
69.64549	0.4
69.64966	0.2
70.06572	0.2
71.04970	0.1
72.08138	0.3
73.02869	0.1
74.36662	0.1
81.02536	0.1
81.03412	0.4
81.07036	0.1
81.23691	0.1
83.04968	0.1
83.13164	0.1
84.08132	0.2
85.02898	1.7
85.06583	0.1
86.09713	0.1
89.03892	0.1
91.03918	0.1
91.05467	0.1
95.04973	0.1
97.02882	0.6
99.04461	0.1
105.06982	0.1
107.04955	0.2
109.02881	0.5
109.10095	0.1
110.06937	0.1
111.04456	0.1
117.03371	0.1
119.04991	0.1
120.08014	0.1
121.10114	0.1
123.04424	0.1
124.51223	0.1
127.03931	0.9
128.10788	0.1
129.01860	0.1
131.04971	0.1
135.03395	0.1
135.04405	1.4
137.02319	0.5
138.05432	0.1
145.04964	0.4
145.06531	0.1
147.04424	0.4
151.03850	0.1
152.07004	0.1
153.01814	3.7
161.02354	0.5
162.05519	0.1
163.03920	0.2
163.07660	0.1
167.07036	0.7
171.02896	0.8
171.04330	0.1
179.03391	0.2
180.51697	0.1
182.35449	0.1
195.08182	0.1
203.03180	0.1
215.08211	0.1
219.06509	0.1
229.09679	0.1
241.04900	0.5
245.04414	0.1
257.09351	0.1
257.12790	0.1
259.05978	0.1
263.05457	0.1
269.04312	0.3
285.12225	0.1
287.05472	100.0
288.05765	1.2
295.10913	0.1
299.05789	0.1
313.11823	0.3
323.28555	0.1
329.06616	0.2
331.12769	0.2
353.06830	0.1
373.13824	0.1
413.08691	0.1
431.09357	0.1
439.14896	0.1
449.10797	1.4
457.16165	0.3
475.16953	0.2
611.14911	0.5
611.24573	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	611.1603
Annotation	Isoorientin 6''-O-glucoside
Peak:m/z	Relative Intensity
57.03418	3.0
61.02892	2.3
65.03938	1.7
69.03409	3.7
69.55027	2.2
69.55426	9.4
70.06575	2.9
71.04991	1.9
72.08144	7.3
73.02890	2.6
81.03396	3.0
84.08138	3.2
85.02897	12.4
88.89052	1.2
89.10774	1.6
91.05467	2.2
96.30699	1.5
97.02884	3.7
103.03922	3.1
107.04929	4.1
109.02872	4.5
113.49584	1.5
119.04913	3.5
121.02838	3.6
127.03902	6.5
134.59129	1.3
135.04391	8.0
137.02330	25.6
146.05910	2.0
147.04398	10.2
148.03874	1.6
149.02328	1.3
151.03911	1.5
153.01816	4.0
159.03015	1.4
161.02290	3.0
163.03893	2.7
165.01819	1.9
167.07062	2.3
173.05962	2.8
175.03893	2.6
176.01006	1.4
177.01952	1.7
177.03816	2.0
177.05443	2.9
179.03380	2.8
181.04967	1.8
187.07710	1.5
189.01797	5.2
189.05479	1.6
191.03345	9.0
195.02936	8.5
197.04349	2.0
197.54381	1.6
201.05408	2.0
203.03375	7.5
205.04932	3.4
207.02869	9.5
207.06566	3.0
209.04321	1.8
213.05405	2.3
215.03339	2.8
217.04938	5.8
218.11687	1.8
219.02850	5.7
221.04445	3.4
225.03786	1.7
229.05048	3.9
233.04422	3.0
245.04378	2.1
255.02663	2.5
255.06638	2.3
257.04291	1.9
283.05902	4.2
284.06271	4.8
285.06036	3.2
287.05396	4.7
295.05902	5.7
297.04202	1.4
297.07510	5.9
298.04272	1.8
299.05435	8.0
302.06549	3.3
303.04349	2.3
303.07074	5.5
307.06076	2.2
309.07465	3.9
310.04688	21.1
311.05469	70.6
311.08844	2.4
312.06226	8.7
313.07034	10.0
323.05460	46.8
324.06174	16.3
325.07098	11.5
329.06342	6.6
333.07532	2.2
335.05441	5.2
335.09039	2.1
336.06064	4.0
337.06961	24.2
337.10620	2.4
338.07858	9.1
339.04886	2.5
339.08575	6.2
341.06509	87.7
342.06827	2.8
347.05438	1.7
348.06314	1.9
349.06964	9.6
351.04721	2.7
351.08557	16.2
352.05585	1.8
353.06519	61.0
354.07028	2.3
355.07742	3.6
361.07080	3.6
362.07687	1.6
363.08658	8.9
365.06519	28.4
365.10739	2.7
366.06900	1.7
367.04083	1.4
367.08078	20.6
369.05890	2.5
371.07529	14.5
373.06793	2.3
377.06351	15.9
377.10406	2.7
379.08188	7.2
381.09579	8.6
383.07544	5.0
389.06570	7.7
391.08157	11.9
395.07571	46.3
401.06381	4.4
405.09558	5.9
407.07553	25.0
409.08850	2.1
417.09680	3.2
419.07501	20.9
421.08893	2.2
425.08640	40.2
431.09207	2.0
433.08807	1.8
437.08624	19.7
443.09747	34.2
444.09988	2.0
449.08698	3.2
455.09729	29.2
461.09436	6.0
465.12741	1.8
468.61740	1.5
473.10751	100.0
474.10956	3.3
479.09503	3.7
491.11703	20.9
497.10794	25.0
503.09607	1.8
509.10437	4.0
515.11676	19.3
521.10791	5.2
527.11768	27.3
537.93958	1.6
539.11798	21.5
545.12921	13.0
557.12817	29.6
575.13898	28.7
576.13788	2.1
593.14899	14.0
611.15118	2.2
611.27460	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	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01866	1.8
55.05508	12.4
57.03432	5.3
57.07062	1.8
62.10656	0.8
65.03928	2.6
67.05500	40.2
69.03442	0.7
69.07063	13.1
70.78136	2.1
70.78477	0.7
71.04982	1.9
77.03867	0.7
79.05485	29.2
80.25908	0.7
81.07053	37.9
83.04969	1.7
83.08607	8.0
85.06556	1.7
91.05472	30.4
93.07037	32.5
95.04973	5.9
95.08599	29.9
97.06522	3.5
97.10166	3.0
99.08087	1.9
103.05463	1.0
105.04537	0.7
105.07021	25.9
107.04951	1.0
107.08588	20.4
109.06499	2.2
109.10133	10.7
111.08076	1.6
113.09628	0.8
115.05448	1.7
116.06215	0.8
117.07008	22.3
119.08572	21.1
121.10134	14.4
123.08100	1.1
123.11702	2.7
125.09604	1.3
128.06204	2.4
129.07001	8.9
130.07782	2.2
131.08560	19.5
131.09489	1.3
133.10120	15.9
135.11685	7.8
141.06984	2.9
142.07739	1.8
143.08548	9.2
144.09410	1.0
145.10115	37.0
147.11674	12.8
149.09622	3.7
149.13237	4.1
151.11192	1.0
154.07797	1.0
155.08516	5.5
157.10123	14.0
157.47945	0.7
159.11690	26.8
159.13017	1.4
161.09647	3.1
161.13246	8.1
163.11217	1.7
163.14781	1.5
165.12808	0.9
167.08551	1.3
169.10158	6.9
171.11642	8.5
173.13252	12.7
175.11227	0.7
175.14883	2.4
179.14243	1.5
181.10056	0.9
182.10863	1.4
183.11671	7.5
185.13252	8.2
187.11160	1.3
187.14836	3.3
191.14380	0.7
195.11719	3.0
197.13268	6.1
198.13956	0.9
199.14810	2.9
201.16478	1.7
203.14337	0.9
209.13292	2.1
210.14099	0.8
211.14838	2.0
213.16354	1.8
215.17946	1.1
219.17490	2.8
223.14729	1.1
225.16228	1.0
227.18047	1.3
229.19420	4.4
235.20781	1.1
237.16377	1.6
239.17941	12.3
241.19543	1.8
255.17433	1.3
257.18988	26.4
259.20667	3.2
261.22156	2.8
275.20029	10.6
288.49722	0.7
313.21686	1.7
329.20679	0.7
331.22580	11.6
332.23959	0.8
333.24124	1.0
335.25830	21.7
337.27554	1.1
377.17892	1.2
379.30090	0.9
390.18427	1.3
391.19440	2.7
392.19901	1.6
393.20871	0.9
405.20828	3.4
406.21732	1.3
407.22342	4.1
414.18320	1.1
415.19101	2.1
417.21341	1.0
419.22882	1.1
420.23166	0.9
421.23981	4.0
422.24710	1.3
429.20825	2.5
430.21622	1.4
433.20239	1.8
435.21957	2.2
443.22552	0.8
444.23029	1.6
445.19995	1.0
446.21527	1.0
447.18240	3.1
457.23856	2.3
459.21841	2.4
460.22510	1.7
461.18927	4.0
462.19989	3.4
463.21432	2.1
474.20731	1.1
475.21048	8.1
476.21658	5.3
477.22168	4.3
485.23438	9.2
486.20602	3.0
489.23022	3.5
493.22696	1.4
494.26871	1.6
499.21689	1.2
500.22208	1.7
503.24466	5.4
504.24841	1.0
513.23108	1.4
515.24384	7.9
516.24963	1.7
517.40308	2.8
521.25867	4.7
531.23944	15.0
532.24371	2.3
535.23706	0.8
535.41223	1.4
539.37207	0.9
541.22253	2.0
548.24982	0.9
549.25018	6.9
550.25775	5.2
559.23309	4.7
577.24341	1.8
591.26038	22.7
591.43976	6.7
592.25854	3.8
609.27094	100.0
609.44977	84.3
610.27435	18.6
610.45282	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	609.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.05495	0.7
57.07059	0.4
61.02927	0.3
67.01855	1.2
67.05493	1.4
69.03429	1.0
69.07062	2.1
70.75777	0.3
71.62641	0.3
77.03896	0.2
79.05479	0.9
81.03397	0.6
81.07054	3.3
83.04972	0.5
83.08606	0.8
85.02423	0.3
85.02902	3.4
85.06542	0.4
89.95970	0.2
91.05434	1.3
93.07039	6.0
93.19746	0.2
95.04955	0.9
95.08606	3.0
97.02922	1.0
97.03431	0.2
97.10156	0.7
99.04462	0.2
105.06995	0.7
107.04940	0.3
107.08578	0.8
109.02817	0.3
109.10166	1.8
111.04396	0.2
111.08066	0.6
111.11717	0.6
115.05344	0.2
119.04972	0.2
119.08572	0.5
121.06509	1.8
121.10136	0.4
123.04417	0.5
123.11705	0.7
125.13249	0.2
127.03898	0.6
133.10054	0.2
135.08054	0.3
135.11647	0.4
137.05988	0.6
137.13245	0.4
139.06487	0.3
139.07544	4.5
145.04970	0.3
145.10121	0.4
147.04387	0.4
147.11646	0.3
149.05966	4.4
151.07506	1.0
151.14799	0.5
161.06003	0.3
162.53038	0.2
163.07549	0.3
165.08983	0.3
167.07031	100.0
168.07433	0.6
175.07495	0.2
177.09100	0.2
181.08574	2.7
183.17360	0.3
189.09122	0.4
189.12767	0.2
191.10721	0.5
195.10225	0.3
205.12135	0.5
207.10121	0.8
223.13315	0.5
235.13217	0.3
244.17519	0.2
249.14684	0.3
267.26849	0.4
279.26938	0.2
293.28308	0.3
299.06281	0.3
329.58273	0.2
351.25177	0.3
365.26953	0.6
405.13202	0.3
411.32431	0.3
429.33560	0.7
447.34662	5.2
609.19556	0.6
635.37836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.1
53.03926	0.4
55.01861	0.3
55.05490	0.5
57.03424	0.2
57.07066	0.1
61.02919	0.3
67.01846	1.1
67.05502	0.7
69.03428	1.0
69.07063	0.8
69.36186	1.4
71.04957	0.2
72.12981	0.2
77.03904	0.2
79.05463	0.5
81.03399	0.5
81.07056	1.5
83.04977	0.1
83.08590	0.3
84.08132	0.2
85.02898	2.9
89.60133	0.1
91.05453	1.2
91.22920	0.1
93.06462	0.3
93.07037	5.4
95.01292	0.2
95.04986	0.7
95.08602	1.2
95.86394	0.1
97.02921	0.8
97.06484	0.2
97.10144	0.3
98.21523	0.3
105.07024	0.4
107.04969	0.2
107.08599	0.5
109.02863	0.5
109.10169	0.7
111.08061	0.6
111.11682	0.2
113.09650	0.1
119.08527	0.2
120.01221	0.1
121.06491	1.7
121.10107	0.3
123.04408	0.1
123.08068	0.2
123.11712	0.3
125.13225	0.1
127.03898	0.5
131.04984	0.2
131.08595	0.2
133.10197	0.2
135.11696	0.3
137.05917	0.7
137.13251	0.2
139.07538	4.0
145.04919	0.3
147.04355	0.4
149.05972	4.7
149.13287	0.2
151.07506	1.2
151.14795	0.2
155.06995	0.4
161.05861	0.2
165.05551	0.2
165.09096	0.3
167.07025	100.0
168.07385	0.7
177.09140	0.2
181.08646	0.3
189.09108	0.3
191.10645	0.4
193.08604	0.2
205.12268	0.2
207.10115	0.4
255.10263	0.2
256.10526	0.2
257.10516	0.2
275.27307	0.2
329.51483	0.2
339.09033	0.2
362.28677	0.1
429.33740	1.5
447.34674	4.9
447.74707	0.1
494.43008	0.2
609.23865	0.1
609.33496	0.2
609.41595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2701
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.24843	0.6
53.03940	0.5
55.01867	0.6
55.05497	3.0
57.03422	1.0
67.05503	5.5
69.07066	2.8
70.15554	2.6
73.03022	0.5
76.38784	0.5
79.05482	5.1
81.03464	0.5
81.07055	5.5
83.08611	0.6
91.05476	4.8
93.07046	4.0
95.04975	0.5
95.08599	3.8
97.06496	0.7
97.10184	0.9
98.20833	0.8
105.07018	4.3
107.08602	3.2
109.10175	1.5
115.05441	0.6
117.07037	1.8
119.08587	3.1
121.10178	1.8
129.07011	0.7
131.08580	2.9
133.10132	1.6
135.11705	1.1
137.09723	0.5
143.08556	1.3
145.10138	3.9
147.11678	1.7
148.57530	0.5
149.09688	0.5
149.13342	0.5
155.08563	0.7
157.10156	1.5
157.29596	0.5
159.10553	0.5
159.11720	2.1
161.13275	0.7
163.11194	0.6
167.07089	2.9
169.10133	1.1
171.11690	1.4
173.13315	0.8
183.11729	1.5
195.11661	0.5
197.13263	0.8
199.14832	0.6
201.16713	0.5
211.14720	0.6
219.69540	0.5
232.83859	0.5
239.17935	1.0
247.77094	0.5
257.19083	1.8
262.13168	0.5
275.19971	2.6
335.25485	1.1
405.20947	1.2
415.19272	1.1
417.20956	0.7
419.18057	1.0
419.22983	0.8
429.20908	3.0
431.18021	0.7
431.22983	0.7
433.19516	0.9
433.23990	1.9
434.21106	0.8
443.22629	0.8
444.22983	1.6
445.24731	0.7
447.21930	1.6
457.19702	0.7
459.21350	4.2
460.22607	1.9
461.19171	1.6
461.23694	2.7
462.19980	2.5
471.21448	0.7
472.22589	1.7
473.23584	0.9
473.69925	0.6
475.20871	0.8
476.22028	2.0
477.22855	1.7
485.23401	1.2
487.24863	3.6
489.23071	2.6
503.24493	1.9
507.23743	0.7
518.22968	0.6
519.23950	2.1
521.21722	2.8
531.23932	21.7
532.24817	0.9
540.51660	0.6
549.24939	12.7
563.26404	1.1
591.26086	3.2
609.27039	100.0
609.43494	11.6
610.27454	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	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01871	0.8
55.05498	0.9
55.79785	0.7
60.30088	0.6
66.24799	0.6
67.05489	2.9
68.73631	0.6
69.07068	2.1
70.24502	0.5
70.60420	0.6
71.62759	0.7
79.05489	3.3
80.03381	0.6
81.07053	3.3
82.21989	0.6
83.08611	0.8
91.05485	3.3
92.15418	0.6
93.07020	3.0
95.04980	0.7
95.08582	3.2
97.06547	1.0
105.07034	2.1
107.04910	0.6
107.08556	1.5
109.10165	0.8
117.07032	1.3
119.08576	1.8
121.10147	1.4
123.56148	0.6
129.06990	0.9
131.08585	1.7
133.10120	2.2
135.11655	1.0
145.10106	1.8
147.11694	1.0
149.09683	0.7
169.10162	0.8
173.13200	0.7
179.14465	0.6
183.11630	0.6
238.14561	0.7
275.20105	2.3
295.78217	0.7
334.11414	0.7
376.16824	0.9
390.18683	1.1
391.19260	2.1
392.19983	0.8
399.15610	0.7
401.18121	0.8
404.20660	0.8
405.20908	2.9
406.21545	1.9
407.22266	2.6
415.19006	1.1
419.22580	1.1
420.23236	0.8
421.23618	3.6
423.18878	0.7
429.20871	2.5
430.21927	1.0
433.20456	1.8
443.22498	0.7
444.23059	1.0
447.17661	1.1
447.22507	0.9
449.19193	0.9
457.24109	1.5
459.21869	2.5
459.32944	0.7
460.23367	1.1
461.19235	6.5
462.20621	2.0
463.21423	1.7
468.11871	0.6
471.17599	0.7
474.20172	1.2
475.21051	8.0
476.21890	7.6
477.22504	4.4
479.24234	0.8
485.23648	5.6
486.20566	2.8
486.66309	0.8
488.21756	0.9
489.23141	5.4
493.22577	2.0
494.26605	1.0
499.21414	5.3
500.22189	1.6
503.24615	7.7
504.21600	1.2
507.24246	0.8
513.22717	1.4
515.24457	6.3
517.22400	1.9
518.23596	1.2
521.25732	5.2
531.23779	11.7
535.23669	1.4
541.22498	0.9
549.24872	2.8
550.25763	4.6
559.23212	5.1
563.26483	2.1
574.34338	0.8
575.18561	0.8
577.24744	1.8
591.25989	12.2
609.27020	100.0
609.44983	6.7
610.26910	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.27
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03938	1.0
55.01853	0.8
55.05505	3.2
57.03437	0.9
57.07079	0.5
67.05505	8.1
69.07056	3.1
69.61610	2.9
75.10628	0.3
79.05488	7.0
79.05906	0.7
81.07049	8.7
83.04975	0.3
83.08602	1.3
91.05473	6.4
93.07041	7.2
95.04957	1.4
95.08596	5.5
97.06504	0.9
97.10139	0.6
105.07023	5.3
107.08590	4.3
109.06487	0.5
109.10140	2.4
117.06992	4.2
119.08558	4.2
121.10128	2.8
123.08049	0.4
125.09663	0.4
128.06219	0.6
129.06989	1.7
130.07773	0.4
131.08556	4.6
133.10136	3.7
135.11719	1.7
137.09535	0.4
141.07040	0.5
142.07831	0.5
143.08571	2.0
145.10107	6.6
147.11655	2.6
149.09602	0.8
149.13275	0.5
154.07745	0.4
155.08563	0.9
157.10107	3.2
159.11678	4.6
161.13272	1.3
163.11253	0.5
168.73328	0.4
169.10175	1.4
171.11723	1.7
173.13315	1.4
175.14699	0.5
181.10117	0.8
183.11693	1.4
185.13249	1.6
187.14830	0.7
195.11673	0.6
197.13284	1.2
199.14830	0.6
201.16322	0.7
209.13243	0.5
211.14864	0.6
213.16345	0.4
219.17400	0.7
221.13393	0.4
223.12582	0.4
224.13162	0.4
225.14095	0.4
229.19553	1.0
238.14989	0.5
239.15704	0.5
239.17966	1.6
257.19037	3.6
259.20599	0.5
261.22159	0.4
275.20068	2.5
276.64056	0.4
331.22684	2.4
335.25708	3.1
341.18188	0.3
375.16995	0.5
376.17355	0.6
377.17758	1.6
378.18677	0.6
389.18759	1.1
390.18619	0.9
391.19147	2.7
392.19928	1.3
393.20462	0.5
399.16342	0.6
400.16672	0.5
401.17679	1.2
402.18549	0.4
403.19672	0.7
404.20645	1.0
405.16583	0.5
405.20929	4.1
406.21701	2.2
407.22241	3.9
413.17743	0.6
414.18658	1.0
415.19086	2.7
416.20306	0.5
417.16522	0.6
417.21332	0.8
418.22287	0.9
419.18542	1.2
419.22629	1.4
420.23282	0.8
421.23923	4.4
422.24539	1.0
427.19388	1.0
428.20059	1.0
429.16116	0.5
429.20908	3.5
430.21472	2.2
431.18115	0.6
431.23096	0.6
432.19672	1.3
433.20215	1.9
435.21567	0.7
442.21500	0.9
443.22687	1.1
444.23257	1.9
445.20261	1.4
446.21054	0.6
447.17181	2.6
448.18613	0.7
449.23410	1.3
451.21362	0.7
452.21759	0.4
455.18405	0.5
457.24530	3.0
459.21466	2.3
460.23483	2.4
461.19055	6.2
462.20193	2.9
463.21057	2.2
470.21448	0.7
472.22638	1.9
473.23849	0.4
474.20428	1.3
475.20868	8.7
476.21771	7.8
477.22479	6.1
478.23395	1.3
479.24423	1.0
484.18625	0.6
485.23590	12.1
486.20331	4.0
487.21420	1.2
487.25546	0.6
488.22388	1.0
489.22925	6.0
493.21701	0.7
494.26599	1.8
497.23242	1.0
499.21371	3.6
500.21796	1.9
502.23611	1.1
503.24493	7.0
504.21121	1.0
504.26306	0.7
507.23822	1.2
513.22797	1.5
515.24377	10.8
517.22064	1.3
517.40057	0.7
518.23169	0.7
521.26263	3.2
522.23743	0.4
531.23914	17.4
532.24261	0.6
533.25989	0.6
535.23181	1.0
541.22461	1.0
548.24384	1.0
549.24823	2.1
550.25690	5.2
559.23407	7.9
577.24756	1.9
591.25983	28.3
609.27008	100.0
609.44031	16.5
610.27545	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1805
Annotation	Biochanin A 7-O-gentiobioside
Peak:m/z	Relative Intensity
53.03914	0.2
55.01817	0.1
57.03430	0.5
61.02891	0.5
66.77396	0.1
69.03419	1.8
70.06570	0.2
70.92828	0.3
71.04977	0.3
72.08126	0.3
73.02880	0.4
75.84616	0.1
79.79797	0.1
81.03416	1.2
85.02893	3.4
87.04424	0.3
88.13261	0.1
89.10745	0.1
91.03899	0.1
91.05465	0.2
97.02885	1.2
99.04400	0.5
103.03897	0.3
107.04907	0.3
108.71576	0.1
109.02870	1.0
115.03844	0.1
118.04101	0.9
119.04887	0.2
123.04378	0.4
124.01519	0.2
127.03899	3.3
145.04927	0.3
147.04332	0.3
151.24716	0.1
152.00989	0.2
153.01804	1.9
162.09105	0.1
163.03873	0.3
167.03291	0.2
167.06927	0.1
170.02086	1.0
213.05528	0.1
216.04794	0.1
223.14407	0.1
223.65805	0.1
229.08604	0.3
238.05911	0.1
242.05730	0.6
255.06502	0.2
257.08069	0.6
257.16241	0.1
267.06610	0.1
269.04422	5.2
270.05191	26.4
270.57266	0.1
271.05533	0.3
283.06076	0.6
283.08701	0.1
284.06863	0.3
285.07529	100.0
286.07916	1.3
294.05042	0.2
297.07635	0.1
300.06378	0.2
309.07587	0.5
313.07025	0.2
327.08588	3.2
339.08655	0.2
351.08609	0.3
447.12811	73.0
448.13153	0.9
609.17841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1808
Annotation	Diosmin 
Peak:m/z	Relative Intensity
54.42069	0.1
55.78486	0.1
57.03422	0.2
65.68980	0.1
69.03415	0.1
70.38155	0.1
71.04994	0.8
72.08150	0.1
73.02913	0.1
76.14429	0.1
76.28278	0.1
81.07056	0.1
83.04967	0.1
85.02898	1.2
97.02874	0.3
109.10146	0.1
119.04884	0.1
127.03880	0.3
129.05452	0.3
147.04401	0.2
147.06497	0.1
149.05957	0.2
151.03909	0.1
153.01796	0.5
167.07022	0.2
171.02884	0.1
175.03905	0.1
177.05450	0.1
208.68770	0.1
229.05019	0.2
235.83563	0.1
257.04449	0.2
258.05231	12.8
259.05646	0.3
286.04697	33.5
287.05075	0.4
301.07037	100.0
302.07397	1.6
463.12234	0.5
609.17633	0.4
609.34210	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	609.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01864	5.0
55.05508	6.5
55.82292	1.6
57.03429	8.8
61.02910	5.5
67.05495	5.5
69.03432	11.1
69.07054	3.3
70.06588	9.1
71.04988	45.4
71.63244	1.8
71.63667	2.4
72.08159	9.8
73.02901	4.7
75.04449	2.4
79.05484	6.4
81.02975	2.4
81.03415	30.9
81.07056	7.7
83.04976	6.4
83.08609	7.4
84.04469	2.4
84.08130	7.3
85.02902	54.1
85.06533	4.1
86.06052	2.9
86.09697	8.2
87.04466	3.8
91.03938	5.6
91.05482	9.0
91.57476	1.5
93.07056	6.3
95.04976	14.0
95.08598	3.9
97.02878	11.3
97.06512	3.4
98.06042	4.4
98.09699	2.4
99.04456	3.9
101.06051	2.0
103.03940	2.5
105.07030	7.7
106.06536	1.9
107.04954	4.8
107.08586	5.3
109.02861	7.2
109.06493	2.7
109.10155	3.9
110.02409	2.6
110.06073	2.5
111.04420	4.3
111.08065	4.0
112.07604	2.8
117.06997	2.1
119.04914	4.2
119.08565	5.8
121.02840	11.3
121.06471	3.2
121.10169	3.9
123.04418	5.6
127.03913	16.5
129.05475	6.4
129.07005	3.8
130.06561	2.8
131.08537	4.4
133.06421	2.5
133.10097	3.5
135.04448	2.8
135.08084	1.7
137.05949	3.5
138.05490	3.4
145.02885	2.4
145.04956	3.6
145.10124	2.8
147.04391	13.3
147.06503	1.9
149.05975	3.6
149.09592	2.1
151.03889	5.8
152.07101	1.8
157.10144	5.0
158.05972	3.3
159.09218	1.8
161.05923	2.1
163.03885	2.6
163.06087	2.2
163.07449	1.6
163.11137	1.7
165.01852	3.8
167.03296	1.7
167.07048	7.4
171.03055	1.9
175.03799	3.9
175.11183	3.3
177.05431	5.4
179.03461	2.8
183.02895	5.0
187.04004	1.8
193.08560	2.2
193.12236	17.0
195.02876	2.0
197.50897	1.8
203.03499	2.3
207.02905	2.2
207.06558	4.5
209.00713	1.9
211.13240	2.9
235.02220	1.9
235.13361	2.2
246.14886	7.3
246.65048	1.9
267.06516	2.0
267.15808	13.4
271.05963	4.1
273.07507	2.8
282.05118	2.9
283.05957	4.2
285.07504	2.8
285.16949	16.8
286.04739	4.0
294.05106	1.9
295.06042	12.2
296.06741	6.9
297.07480	14.7
298.04730	12.1
300.06219	6.5
301.07089	9.1
307.06003	7.5
308.06805	4.3
309.03937	8.6
309.07587	5.3
309.16907	7.0
310.04514	4.7
310.07919	3.1
311.05298	5.4
311.08923	4.0
313.07031	100.0
314.07806	8.3
315.08636	5.0
316.16571	5.9
320.06613	2.8
321.07642	5.6
324.06277	10.5
324.11359	4.4
325.07004	23.2
327.04941	4.0
327.08545	3.0
328.05750	20.1
333.07480	2.3
335.05475	3.7
335.09134	4.6
336.06113	4.0
337.06909	10.3
338.07748	6.8
339.04910	7.6
339.08600	19.3
341.06531	5.4
343.08105	99.1
347.09146	2.2
349.07150	8.4
351.08572	7.0
353.06345	3.6
353.10190	14.5
361.06839	2.5
363.04770	4.3
363.08575	7.0
363.17950	2.0
365.06442	5.0
367.03650	3.5
367.08105	51.8
375.04605	2.0
375.18085	3.9
379.08041	17.5
381.09592	3.8
391.08072	14.3
393.05679	2.6
393.18884	3.0
397.09222	31.5
403.07950	3.3
409.09180	25.2
421.09277	7.2
427.10284	25.0
429.21133	2.6
439.10117	10.5
443.09622	5.2
445.11285	58.9
457.11032	3.8
459.09818	1.9
461.10760	9.0
463.12344	77.2
511.12930	2.4
523.12299	5.2
541.13116	8.4
555.14813	3.9
559.14258	8.5
573.16309	2.5
577.15515	2.0
609.23566	8.9
609.33191	2.5
619.99658	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	609.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02380	0.3
53.03948	0.2
55.05500	0.4
57.03431	0.2
63.02054	0.2
63.02383	0.6
63.10240	0.2
67.05496	0.7
68.99760	0.3
69.03422	0.6
69.07078	0.4
70.06602	0.2
70.89891	0.3
70.90266	0.5
71.04973	0.3
71.50237	0.2
72.08155	0.3
78.04708	0.5
79.05472	0.7
81.03406	0.7
81.07041	1.2
81.34541	0.2
83.08618	0.3
84.08124	0.2
84.47134	0.2
85.02891	1.1
85.06525	0.4
86.09660	0.2
89.03903	9.9
91.05466	1.2
93.07034	0.9
94.06625	0.2
95.04965	0.7
95.08612	1.0
97.02866	0.9
99.00505	0.2
99.04424	0.3
103.05439	0.4
105.07023	0.6
106.04153	0.6
107.04916	0.3
107.08630	0.9
107.09277	0.2
109.02865	0.7
109.06466	0.4
109.10138	0.5
111.04421	0.3
111.08091	0.2
115.05431	0.2
117.03366	26.0
118.03716	0.3
119.04944	1.3
119.08578	0.4
121.02883	1.0
121.06456	0.4
121.10133	0.5
123.04417	0.4
123.11686	0.5
123.73543	0.2
124.05230	0.4
125.09657	0.2
127.03903	1.3
128.86098	0.2
131.04936	0.2
131.08568	0.3
133.10136	0.4
134.03636	1.8
135.04393	1.9
135.11652	0.6
137.05969	0.6
145.02826	60.1
145.10042	0.3
146.03206	0.5
147.04370	0.9
149.02324	0.6
149.05959	8.1
149.09634	0.2
149.13219	0.3
150.06119	0.2
151.03929	0.2
151.07510	0.5
157.10085	0.2
158.05986	0.6
159.04330	0.2
159.11633	0.2
161.05948	0.3
161.13335	0.2
163.03915	1.2
165.01820	0.4
167.03404	0.7
167.07008	1.1
173.09500	0.2
175.03810	0.2
177.05447	100.0
178.05811	1.3
181.04935	0.3
183.02852	0.8
186.05476	3.2
187.03966	0.4
189.05539	0.2
189.09004	0.2
191.07054	0.2
191.14368	0.2
195.02921	0.5
195.06398	0.2
207.06479	0.5
213.05437	0.3
219.06480	0.7
229.04979	0.2
239.06949	0.5
249.79727	0.2
255.06404	0.6
267.06512	3.2
270.05069	0.5
271.05972	2.9
279.06403	0.2
281.08051	0.9
283.05963	11.2
284.06766	1.3
285.07593	1.1
295.05981	12.2
296.06213	0.3
297.07483	0.6
305.08218	0.3
307.05939	0.6
307.26260	0.3
308.06754	0.3
309.07535	2.4
313.07013	15.0
314.07275	0.4
321.07245	0.3
323.09045	1.5
325.07025	0.5
333.07248	0.3
335.05328	0.4
337.07004	5.9
337.11023	0.3
339.10590	0.7
349.07031	1.5
351.08597	0.5
361.07101	1.4
367.08084	2.6
379.03189	0.3
379.08035	5.5
380.08496	0.3
397.09119	2.6
415.04816	0.3
415.10196	7.1
416.10538	0.2
427.08185	0.3
428.09091	0.3
433.11273	8.4
443.11032	1.1
457.08853	0.2
471.10748	3.1
489.11688	1.2
550.77777	0.2
573.14252	0.4
591.14832	1.1
609.15106	1.2
609.21844	1.0
609.30591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1595
Annotation	Vitexin 2''-O-(E)-ferulate
Peak:m/z	Relative Intensity
50.01590	0.2
51.02380	0.3
53.03948	0.2
55.05500	0.4
57.03431	0.2
63.02054	0.2
63.02383	0.6
63.10240	0.2
67.05496	0.7
68.99760	0.3
69.03422	0.6
69.07078	0.4
70.06602	0.2
70.89891	0.3
70.90266	0.5
71.04973	0.3
71.50237	0.2
72.08155	0.3
78.04708	0.5
79.05472	0.7
81.03406	0.7
81.07041	1.2
81.34541	0.2
83.08618	0.3
84.08124	0.2
84.47134	0.2
85.02891	1.1
85.06525	0.4
86.09660	0.2
89.03903	9.9
91.05466	1.2
93.07034	0.9
94.06625	0.2
95.04965	0.7
95.08612	1.0
97.02866	0.9
99.00505	0.2
99.04424	0.3
103.05439	0.4
105.07023	0.6
106.04153	0.6
107.04916	0.3
107.08630	0.9
107.09277	0.2
109.02865	0.7
109.06466	0.4
109.10138	0.5
111.04421	0.3
111.08091	0.2
115.05431	0.2
117.03366	26.0
118.03716	0.3
119.04944	1.3
119.08578	0.4
121.02883	1.0
121.06456	0.4
121.10133	0.5
123.04417	0.4
123.11686	0.5
123.73543	0.2
124.05230	0.4
125.09657	0.2
127.03903	1.3
128.86098	0.2
131.04936	0.2
131.08568	0.3
133.10136	0.4
134.03636	1.8
135.04393	1.9
135.11652	0.6
137.05969	0.6
145.02826	60.1
145.10042	0.3
146.03206	0.5
147.04370	0.9
149.02324	0.6
149.05959	8.1
149.09634	0.2
149.13219	0.3
150.06119	0.2
151.03929	0.2
151.07510	0.5
157.10085	0.2
158.05986	0.6
159.04330	0.2
159.11633	0.2
161.05948	0.3
161.13335	0.2
163.03915	1.2
165.01820	0.4
167.03404	0.7
167.07008	1.1
173.09500	0.2
175.03810	0.2
177.05447	100.0
178.05811	1.3
181.04935	0.3
183.02852	0.8
186.05476	3.2
187.03966	0.4
189.05539	0.2
189.09004	0.2
191.07054	0.2
191.14368	0.2
195.02921	0.5
195.06398	0.2
207.06479	0.5
213.05437	0.3
219.06480	0.7
229.04979	0.2
239.06949	0.5
249.79727	0.2
255.06404	0.6
267.06512	3.2
270.05069	0.5
271.05972	2.9
279.06403	0.2
281.08051	0.9
283.05963	11.2
284.06766	1.3
285.07593	1.1
295.05981	12.2
296.06213	0.3
297.07483	0.6
305.08218	0.3
307.05939	0.6
307.26260	0.3
308.06754	0.3
309.07535	2.4
313.07013	15.0
314.07275	0.4
321.07245	0.3
323.09045	1.5
325.07025	0.5
333.07248	0.3
335.05328	0.4
337.07004	5.9
337.11023	0.3
339.10590	0.7
349.07031	1.5
351.08597	0.5
361.07101	1.4
367.08084	2.6
379.03189	0.3
379.08035	5.5
380.08496	0.3
397.09119	2.6
415.04816	0.3
415.10196	7.1
416.10538	0.2
427.08185	0.3
428.09091	0.3
433.11273	8.4
443.11032	1.1
457.08853	0.2
471.10748	3.1
489.11688	1.2
550.77777	0.2
573.14252	0.4
591.14832	1.1
609.15106	1.2
609.21844	1.0
609.30591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
55.83118	0.4
58.06592	0.6
59.04979	0.9
59.82369	0.3
59.92825	0.3
64.27963	0.3
66.97824	0.3
69.03416	1.4
70.06579	1.3
71.04979	0.4
71.08073	0.9
72.08160	2.2
72.72735	0.4
73.02914	0.7
73.06541	2.5
79.05470	0.6
81.03411	0.8
81.07072	0.5
84.04524	0.4
84.08150	1.8
85.02900	1.5
86.06038	0.5
86.09713	0.5
87.04459	13.7
88.25733	0.3
89.06023	100.0
90.06359	0.5
91.05473	0.7
91.07587	0.7
95.04961	0.5
95.08595	0.7
97.02907	1.0
97.06519	1.1
99.04459	0.5
102.81393	0.3
103.05444	0.4
105.07011	0.7
107.04961	0.4
107.07057	3.3
109.02884	0.7
110.02440	0.4
112.07616	0.4
113.06014	0.4
117.09118	1.6
119.04909	0.7
119.08588	0.4
121.02817	0.4
121.06496	0.5
121.10133	0.5
124.11280	0.4
127.03892	1.6
130.08611	1.6
131.03169	0.4
131.04868	0.5
131.07030	4.3
133.08591	64.4
135.10199	0.5
137.05968	0.7
141.01781	0.4
145.02835	0.6
146.11760	0.4
147.04391	2.8
147.11678	0.4
152.06990	0.5
159.10197	0.6
163.03825	0.4
167.07056	3.2
174.11005	0.4
175.09662	3.0
175.14813	0.6
177.05492	0.4
177.11212	25.8
179.09618	0.5
207.06458	0.9
207.22874	0.4
219.12254	0.8
221.13806	5.6
223.15257	0.6
229.08534	0.7
239.14821	1.8
265.16370	1.0
267.72076	0.4
281.48868	0.3
283.17453	2.1
285.07550	3.9
300.68176	0.4
309.18991	0.8
325.07004	0.5
327.20062	1.7
353.21552	0.9
371.22607	0.7
397.24173	0.7
410.29358	0.4
428.22464	0.9
441.26483	0.6
447.12704	0.7
459.27814	0.6
485.28906	0.4
503.30344	0.8
546.29004	0.4
547.32495	0.6
591.35889	9.1
608.22839	1.1
608.38208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
54.96881	1.7
55.01869	14.1
55.05501	5.5
57.03432	1.7
57.07069	6.2
58.06593	2.2
59.05001	2.4
65.72775	1.4
67.05491	7.3
68.99765	2.3
69.03422	15.1
69.07063	11.5
70.02940	5.3
70.06573	5.5
71.01340	2.2
71.04987	6.2
71.62240	3.2
72.04508	22.2
72.08150	10.2
73.02915	12.1
74.02432	1.8
79.05482	2.6
81.03407	18.8
81.07046	6.2
83.04972	9.7
83.08601	3.8
84.08132	10.5
85.02904	16.9
85.06536	9.5
86.06075	3.5
86.09702	5.4
86.78159	1.7
87.04455	1.9
87.08072	3.4
90.05552	49.4
91.05450	5.3
93.07015	3.7
94.13516	1.6
95.04962	29.3
96.08133	2.9
97.02895	17.6
98.02397	14.3
98.06019	2.8
98.09680	3.2
99.04435	10.4
100.03971	6.1
101.06003	4.1
103.03930	1.9
103.07572	5.4
105.07028	3.3
107.04964	4.6
107.08578	6.6
109.02869	26.9
109.10180	3.8
110.02406	4.1
111.04442	1.9
112.07568	3.4
113.05982	5.0
114.09122	2.5
115.03936	2.6
116.03451	27.7
119.04941	5.1
119.08574	5.5
121.02852	9.3
121.10141	1.9
123.04408	3.1
124.07588	25.1
127.03896	22.0
128.10730	2.8
131.04910	3.3
131.07039	4.0
131.08597	2.0
132.06567	12.4
132.10155	2.1
133.06491	1.7
133.10107	7.8
135.08003	2.9
137.05971	2.2
138.05487	10.0
139.03891	3.7
140.07008	1.7
142.08617	20.1
145.02826	3.9
145.04970	9.2
145.06360	2.8
145.10146	2.7
146.06044	3.9
146.11707	2.6
147.04385	12.9
147.11670	3.9
151.11162	3.5
152.07069	3.2
153.01807	2.7
153.09070	2.5
156.10237	3.4
160.07614	14.2
160.09665	7.0
163.07523	2.0
166.08665	5.4
167.07050	3.7
167.14290	4.4
169.04895	1.9
172.09682	6.6
173.04729	1.9
173.13237	5.0
174.11292	7.9
175.04041	2.3
175.14801	6.9
177.05522	3.9
178.08714	1.7
179.03410	2.3
180.06546	2.4
181.04961	2.0
184.09679	36.4
185.06003	1.9
187.06039	2.0
188.07077	30.2
191.14279	6.6
198.07611	4.0
199.05893	8.8
202.10732	100.0
209.15340	24.4
211.07762	1.5
211.09619	8.2
216.08675	6.0
217.05086	2.2
217.07071	7.0
219.08131	2.1
220.11775	27.7
230.10138	13.1
234.09740	10.7
238.40085	1.7
244.11728	2.8
262.12872	16.8
281.08136	2.7
285.07568	6.5
290.15985	3.4
293.07953	3.0
295.06223	3.8
307.05844	2.9
307.09528	2.6
309.07562	3.6
310.12811	8.0
316.27921	1.9
317.07971	2.2
321.07565	4.8
323.09076	2.7
325.07062	3.5
328.13889	90.5
329.08228	1.8
333.07440	3.5
335.09259	1.9
346.14938	21.8
347.09119	3.5
351.08554	4.6
361.06851	2.1
363.08511	5.9
364.15988	78.1
375.08209	2.2
389.09677	2.7
391.08072	2.7
392.11200	4.7
422.12292	10.6
434.12451	3.0
452.13623	7.8
470.14902	13.9
488.15280	7.9
494.14078	2.9
500.15244	4.1
506.13916	2.2
524.15320	3.1
536.15088	3.9
554.16089	3.8
572.17096	6.0
572.30811	2.9
590.18329	2.5
591.17010	2.0
608.20044	7.3
608.28668	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	607.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58597	0.2
53.03941	0.3
55.01859	0.4
55.05511	0.8
57.03431	0.3
57.07079	0.3
59.04981	0.2
61.02910	0.5
61.41107	0.2
65.03934	0.2
67.01848	1.2
67.05497	2.0
67.31081	0.2
68.99786	0.2
69.03111	0.2
69.03427	2.1
69.07070	1.9
70.06578	0.4
71.04971	0.5
71.22016	0.2
71.22343	0.3
72.08154	0.9
73.02882	0.3
74.09680	0.2
75.79539	0.2
79.05480	1.2
81.03424	1.3
81.06566	0.3
81.07053	5.3
83.01335	0.3
83.04981	0.4
83.08586	0.4
84.08170	0.4
85.02905	4.3
85.06535	0.5
86.09682	0.3
87.04414	0.2
91.05473	2.3
93.07041	6.4
95.04984	1.0
95.08601	4.0
96.08964	0.2
97.02886	2.4
97.06497	0.5
97.10132	0.6
99.04472	0.3
99.08080	0.4
103.05464	0.2
105.07021	1.5
106.85799	0.2
107.04966	0.4
107.08588	2.0
109.02864	0.9
109.06509	0.5
109.10152	3.3
110.02370	0.3
111.04417	0.3
111.08070	0.8
111.11703	0.5
112.11211	0.2
115.03945	0.2
119.04942	0.9
119.08553	0.7
121.06509	2.1
121.10124	1.3
123.04414	0.6
123.08041	0.6
123.11697	1.6
125.09628	0.3
127.03922	1.9
127.11248	0.2
131.08644	0.4
133.06442	0.5
133.10121	0.8
135.04422	0.2
135.08070	0.5
135.11703	1.1
136.07561	0.2
137.05998	1.0
137.13220	0.9
139.07536	4.0
139.11171	0.2
143.08565	0.2
145.05002	0.4
145.10110	0.5
147.04395	3.0
147.11667	0.7
148.04741	0.3
149.05977	4.8
149.09557	0.4
149.13235	1.2
151.07524	3.9
151.14790	0.2
153.05415	0.3
153.12708	0.2
157.10085	0.2
159.08067	0.2
159.11653	0.3
161.05980	0.4
161.09608	0.3
163.07474	0.3
163.14813	0.4
165.05536	0.2
165.09079	0.7
165.16452	0.3
166.06284	0.3
167.07031	100.0
168.07426	1.1
171.07985	0.3
173.09648	0.3
175.03900	0.4
175.07552	0.5
175.14870	0.2
177.05502	0.4
177.09050	0.3
177.16393	0.3
181.08572	0.6
183.11728	0.3
189.09148	0.7
189.16318	0.2
191.10628	1.2
191.17912	0.5
193.08620	0.9
199.11113	0.2
205.12222	0.4
205.19496	0.3
207.06595	0.3
207.10132	1.9
217.12282	0.4
233.11780	0.2
236.12822	0.2
260.12830	0.2
271.06049	0.4
273.25839	0.3
289.18021	0.2
291.19592	0.2
291.27023	0.3
303.19632	0.4
305.24741	0.2
323.25653	0.2
325.06915	0.4
329.12189	0.4
335.09103	0.2
339.08685	0.4
339.85883	0.2
341.14038	0.2
345.24466	0.2
359.25626	0.2
371.25656	0.3
381.13300	0.4
385.12900	0.2
391.11774	0.2
409.12930	0.5
427.13593	0.4
427.32080	3.5
428.32309	0.3
445.15497	0.3
445.33112	3.6
589.19824	0.3
589.34943	0.5
607.20575	1.0
607.34778	0.2
608.22302	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	607.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.5
53.03949	5.6
55.01859	5.5
55.05510	21.2
57.03429	5.2
57.07070	3.1
61.02921	1.5
65.03928	3.1
67.05501	57.4
69.03428	20.5
69.06709	2.0
69.07066	22.6
71.01350	2.4
71.04992	7.6
71.63004	2.0
73.02921	1.6
79.05486	41.8
81.03410	57.9
81.07050	77.4
83.04983	13.7
83.08608	14.4
84.08141	2.0
85.02916	10.2
85.06548	5.2
91.05472	32.2
93.07035	51.3
95.04980	11.3
95.08601	24.3
97.02883	12.3
97.06528	11.9
97.10175	1.5
99.04465	4.4
99.08077	3.9
103.03976	1.2
105.07028	17.3
107.04929	5.0
107.08592	24.0
109.02870	12.2
109.06522	6.0
109.10145	5.6
111.04426	7.1
111.08085	5.2
113.09637	1.4
115.05471	1.5
117.07005	13.5
119.08595	11.5
120.08936	1.0
121.06518	3.3
121.10136	14.1
123.04415	1.9
123.08043	2.8
123.11687	6.0
125.06003	1.4
127.03926	7.2
129.06995	5.4
131.04955	1.8
131.08578	15.0
133.06502	2.1
133.10135	11.5
135.08076	4.3
135.11668	7.6
137.06015	1.7
137.09567	1.3
137.13318	1.3
141.06987	2.3
143.08588	3.3
145.06448	3.0
145.10100	3.8
147.04364	2.7
147.08076	1.9
147.11693	11.4
149.13243	17.1
151.07530	2.0
155.08603	2.7
157.10132	3.5
159.08060	1.5
159.11644	13.0
161.05980	1.7
165.12759	3.9
167.07010	7.8
167.14359	1.2
169.10193	1.3
171.11674	3.4
173.04439	3.2
173.13255	1.7
175.07562	1.2
175.11139	1.7
177.12714	7.0
183.06589	1.9
187.11293	1.5
189.12727	1.5
195.12024	1.2
195.13780	18.1
197.13190	1.3
201.12701	2.3
213.14890	3.6
216.45430	1.3
219.13727	1.7
229.14372	2.0
229.96033	1.2
233.15387	2.1
261.14835	1.5
267.15985	3.4
269.17502	10.8
275.16583	1.7
285.14706	2.1
297.16785	1.3
303.15970	2.8
321.16968	5.8
323.05396	2.9
339.17993	13.7
371.25790	1.6
377.19452	2.8
395.20599	16.5
403.15372	11.2
429.68994	1.4
445.16422	1.8
445.29294	6.1
463.30576	13.2
533.31458	2.0
552.31934	1.3
589.33734	6.5
607.22046	10.4
607.34705	100.0
608.34937	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	607.2902
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
50.19814	0.6
70.23927	2.0
73.91394	0.5
159.83350	0.6
173.99756	0.7
183.03418	0.6
222.49544	0.6
296.18372	0.7
387.15787	1.0
389.17548	1.1
402.18219	1.2
403.19162	2.5
404.20047	1.2
405.20752	1.9
416.19998	0.9
417.21365	3.4
418.21631	2.1
419.22421	2.7
431.18344	10.3
432.18872	1.8
432.23807	1.1
433.24057	9.5
434.24863	2.1
439.06934	0.8
445.19745	9.8
446.20804	6.1
447.21555	8.1
459.21567	6.5
460.22427	22.8
461.23352	24.5
462.24149	1.0
463.21118	0.8
473.23499	6.3
474.24100	2.1
477.22919	2.0
487.25247	3.8
488.25443	0.7
491.24512	1.1
492.24963	1.9
505.21628	5.2
506.27106	1.4
515.24573	2.1
515.69824	0.7
518.22894	0.7
519.24323	2.6
519.26990	2.4
530.03296	0.7
532.24744	1.2
533.25653	1.4
547.26996	66.4
548.27118	2.4
575.26605	2.3
579.29669	1.9
607.29077	100.0
608.00073	0.8
608.29321	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	607.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
68.58250	0.4
71.49799	0.5
71.50120	0.6
75.63782	0.4
89.85130	0.4
93.14684	0.4
101.02666	0.4
187.85667	0.4
199.15355	0.5
221.10817	0.4
223.12294	0.7
233.98077	0.4
244.10399	0.4
375.16098	0.5
387.15994	1.3
388.16879	1.4
389.17746	3.1
390.18835	0.8
401.17780	1.2
402.18408	2.9
403.19266	7.0
404.19931	2.2
405.20758	3.3
415.19608	2.3
416.20441	2.4
417.16772	1.9
417.21320	8.5
418.21881	5.3
419.22339	6.8
429.16617	0.8
429.21442	0.9
430.17850	2.1
430.22165	1.4
431.18048	15.7
431.23355	1.9
432.18335	2.9
432.23746	1.5
433.24045	13.8
434.24643	1.2
444.19095	1.2
445.19827	21.3
446.20587	7.9
447.21658	5.6
458.20932	0.7
459.21561	7.4
460.22543	12.2
461.23386	9.4
462.20181	0.5
472.22467	0.7
473.23514	3.6
474.24286	0.7
475.06180	0.5
487.25131	1.2
489.22723	1.1
505.21820	0.9
519.23663	0.5
519.28101	0.7
532.24707	0.5
547.27051	25.4
548.27710	0.7
575.27264	0.7
579.29724	0.9
607.29102	100.0
608.29083	2.0
608.77100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
58.71436	0.1
67.05484	0.3
69.73632	1.3
74.02694	0.2
79.05483	0.2
81.07029	0.2
84.93782	0.1
91.05453	0.2
94.06551	0.2
94.16650	0.2
95.08628	0.2
97.95248	0.2
105.07002	0.2
133.10098	0.2
190.09264	0.2
204.06483	0.2
207.09138	0.3
210.11621	0.2
221.10732	0.4
223.12286	0.2
249.10255	0.2
251.11668	0.2
286.13419	0.3
287.14255	0.2
300.15176	0.2
338.16684	0.2
358.94067	0.2
374.15457	0.5
375.16205	0.7
376.16977	0.4
386.16489	0.2
387.16327	0.5
388.16696	0.8
389.17615	2.7
390.18335	1.1
391.19257	1.1
401.18066	0.8
402.14078	0.4
402.19135	1.0
403.19467	4.7
404.20108	1.7
405.20728	3.6
406.21033	0.4
414.18860	0.2
415.19348	0.6
416.16321	1.1
416.20831	0.3
417.16208	4.5
417.21188	1.9
418.17612	0.9
418.21573	1.1
419.22452	6.4
420.23312	1.1
428.16989	0.2
429.17010	0.5
430.17078	0.9
430.22833	0.3
431.18201	7.7
432.19131	3.7
433.20056	4.1
434.21008	0.5
435.21811	0.3
443.18655	0.3
444.19351	0.3
445.20099	5.6
446.20932	8.0
447.21725	7.8
447.27673	0.3
448.22507	0.8
457.20471	0.4
459.17670	0.9
459.22003	1.3
460.18857	0.8
461.19434	1.9
462.24130	0.6
463.20758	0.5
463.25684	0.4
473.19293	0.8
473.23828	0.8
474.20407	4.8
475.21109	5.0
476.21863	0.5
477.23605	0.8
478.23523	1.1
487.21289	2.1
488.22006	0.6
489.19156	0.2
490.23392	0.6
491.19907	2.5
501.23145	1.3
504.21381	0.4
505.22345	1.1
506.22971	0.6
517.22473	0.2
519.24042	17.5
520.24396	1.1
529.22327	0.3
533.23950	0.2
547.23346	13.6
548.23663	1.0
550.22333	0.3
551.26440	0.5
561.24902	0.5
575.23303	0.2
579.25952	6.2
589.25006	0.3
607.25452	100.0
608.25732	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01857	0.5
55.05504	1.5
56.01394	0.2
57.03432	1.9
60.31200	0.2
61.02919	0.5
61.95493	0.2
63.70053	0.2
66.60609	0.2
68.05029	0.2
69.03419	3.2
70.06584	2.0
70.80452	0.8
71.04993	0.4
72.08147	100.0
73.02891	0.4
73.08474	0.4
73.26791	0.2
79.05479	0.5
81.02995	0.3
81.03404	1.4
83.04976	0.2
84.04496	10.2
84.08145	0.9
85.02897	15.0
86.06087	0.3
87.04477	0.3
89.10783	35.8
91.05463	1.9
95.05006	0.4
96.04502	0.5
97.02885	2.6
98.03190	0.2
98.06049	4.3
99.04478	0.7
100.07615	0.2
102.05521	0.2
105.07004	1.0
107.04943	4.3
109.02219	0.2
109.02863	1.3
109.06516	0.3
110.09673	1.9
111.04505	0.3
112.05082	0.5
114.05484	0.4
114.09159	0.6
115.08691	2.1
119.04939	2.5
120.05739	0.3
121.02876	0.7
121.06547	0.3
124.11269	0.4
127.03911	3.0
130.08728	0.2
131.04948	0.4
131.08574	0.5
133.06483	1.6
137.05963	0.3
138.05511	0.3
138.09126	11.4
141.07005	0.4
144.05745	0.4
145.04965	0.4
145.06482	0.5
147.04376	2.9
147.08110	0.5
153.05548	0.3
153.07002	0.5
155.11774	10.8
156.10181	8.0
156.11462	0.4
157.05266	0.3
157.06458	1.6
159.08014	2.0
161.05991	1.9
165.06981	0.5
167.07066	2.0
167.08456	0.4
170.07318	0.3
173.12920	0.4
175.07571	0.3
177.07043	0.3
181.05074	0.4
181.06512	1.6
182.07335	0.4
183.08066	0.4
183.35963	0.3
185.06033	0.3
185.09637	0.8
185.45552	0.2
187.07617	0.3
191.07077	0.3
193.08681	0.7
195.07985	1.0
197.06032	0.4
198.06807	0.7
198.11314	0.3
209.05986	0.5
211.07516	0.4
213.09087	3.2
215.06985	0.3
218.11838	0.8
219.08131	0.8
225.05569	0.4
235.14389	1.2
236.08502	0.2
237.09035	0.2
241.08560	3.4
241.10654	0.3
247.07660	0.5
251.10774	0.6
258.08810	1.5
264.08005	0.3
272.10428	2.2
273.11188	3.1
279.10208	1.0
291.16446	0.2
311.12735	1.7
335.49661	0.2
391.40250	0.2
410.19699	1.8
427.22327	5.0
427.27933	0.3
428.20584	1.5
445.23328	27.2
446.23831	0.3
486.26340	0.3
495.16748	0.2
523.24652	0.3
535.25360	0.3
571.26343	0.4
572.25122	0.5
589.27545	8.7
590.27057	0.5
607.21198	0.6
607.28754	9.5
608.19470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2361
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
55.01864	0.4
55.05490	0.7
57.03432	0.4
57.22219	0.3
58.06581	0.3
67.05494	0.4
69.03426	1.1
70.06576	0.9
71.04966	0.6
71.47462	0.2
71.62357	0.4
72.08146	1.7
79.05495	0.4
81.03417	0.7
82.02969	0.3
83.04980	0.5
83.72350	0.2
84.07686	0.3
84.08141	4.3
85.02886	2.0
85.06527	0.4
85.08459	0.5
86.06067	0.3
86.09692	0.3
91.05477	0.5
93.07030	0.3
97.02876	1.0
98.06078	0.3
98.09690	0.4
99.04391	0.2
101.06046	1.4
102.14422	0.3
103.05488	0.4
105.07008	0.3
107.04948	0.6
107.08578	0.3
109.02869	0.7
110.02404	5.9
111.04192	0.7
115.08698	0.4
119.04955	0.8
121.02835	0.4
121.10143	0.3
123.04414	0.8
127.03923	1.3
128.10701	1.2
131.04897	0.4
133.06441	0.3
135.04454	0.3
137.05960	1.1
146.11760	0.7
147.04413	2.6
148.04730	0.3
149.05966	0.3
152.07077	2.3
153.01819	0.5
153.05470	0.5
160.05211	0.2
161.05994	0.4
163.03903	0.8
163.07521	0.3
167.07063	0.7
169.09706	2.1
175.03810	0.4
177.05466	0.5
179.03387	0.3
185.04179	0.3
189.05220	19.8
190.05946	2.2
191.08385	0.3
194.16592	0.2
207.06345	0.3
218.11774	0.4
230.07967	0.5
235.07639	0.3
235.14513	0.3
271.05801	0.4
283.05978	0.3
290.16000	0.7
291.16342	0.4
293.08032	0.4
298.04605	0.3
301.07077	0.5
313.07056	2.0
317.06516	0.4
318.07050	0.3
325.07184	0.5
337.06854	0.4
355.08228	0.4
377.14954	0.9
392.15237	0.4
399.15378	0.3
409.09152	0.7
409.17395	1.1
410.18964	0.3
427.10501	0.5
429.15204	2.4
430.15997	0.6
444.17621	2.4
445.11929	0.6
445.18307	13.3
446.18954	0.3
475.12213	0.3
559.24481	0.7
571.24146	0.3
589.24536	0.4
607.23602	100.0
608.23834	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	607.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05499	1.3
57.03422	2.5
58.32820	0.8
67.05505	1.5
68.99787	2.8
69.03425	4.7
69.07047	1.3
70.06574	1.1
71.04988	13.8
79.05480	1.6
81.03404	1.9
81.07055	2.8
83.04987	1.9
85.02900	17.2
85.06552	0.9
86.06077	0.8
91.05457	1.4
93.07021	2.3
95.04961	6.4
95.08594	1.3
97.02921	2.0
99.04452	1.4
105.07036	1.8
107.04955	7.7
107.08599	1.3
108.05263	0.9
109.02840	2.9
109.10132	2.0
111.04456	2.4
114.05629	0.9
115.05436	1.0
119.04943	1.0
119.08598	1.3
121.02877	2.1
121.06503	1.7
121.10131	1.1
122.06010	5.8
123.04417	5.0
123.06406	1.7
127.03905	5.5
129.05467	4.5
131.04922	1.8
133.10185	0.8
135.04387	7.5
137.02319	6.6
137.06000	1.6
143.08691	0.9
145.05023	0.9
145.06438	1.2
145.10139	1.4
147.04428	3.5
147.08058	3.2
148.07481	1.0
149.05948	1.0
151.03894	31.1
153.01814	1.6
153.23587	1.0
155.03336	0.8
161.06033	3.1
162.06377	0.9
163.03935	1.6
163.07452	0.8
167.07059	1.0
178.04988	2.3
179.03383	100.0
183.02939	1.4
189.05298	3.8
191.03433	2.0
193.04945	1.8
195.02890	3.2
197.04341	1.0
201.05484	1.4
203.03374	1.0
207.02872	2.8
215.08998	1.0
219.02867	10.5
219.06296	1.5
225.03931	1.4
231.02977	1.0
233.04417	1.5
234.08606	5.4
237.03914	5.5
239.06927	4.3
242.22934	0.9
243.02919	1.0
245.04527	2.5
256.07001	1.1
261.03885	6.5
269.04468	3.6
271.05786	1.2
283.05991	1.1
287.05524	6.4
295.06079	2.4
297.07611	1.0
298.10730	16.3
299.08673	48.9
305.06702	3.0
307.06125	1.9
309.07651	2.1
313.07031	1.1
322.26895	1.1
323.07523	4.0
325.07187	3.0
335.09122	1.9
337.07144	2.0
339.08585	5.8
351.08621	1.4
357.09756	1.8
365.12338	1.8
379.08405	1.8
379.13754	4.9
381.09140	1.2
391.08206	3.5
407.11194	5.2
409.09576	1.5
425.12265	2.7
427.10071	2.0
433.11359	1.5
443.13510	3.2
445.19305	3.0
469.12360	1.6
485.14755	1.1
523.12445	1.3
541.12848	1.3
553.13434	1.6
607.23395	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	607.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23522	0.4
53.03896	0.8
54.75895	0.4
55.01825	0.7
55.05443	1.3
55.05685	0.4
56.38546	0.3
57.03391	0.5
59.30504	0.4
59.37729	0.4
60.78560	0.3
65.03881	0.6
67.05422	3.3
68.99743	0.8
69.03354	1.2
69.06975	1.1
70.49905	1.1
74.91171	0.4
79.05482	4.3
81.03408	2.2
81.07047	3.3
83.04911	0.9
83.08565	0.7
85.02826	0.7
85.06469	0.4
91.05471	7.3
93.07038	3.7
95.04961	2.9
95.08498	1.2
97.06459	0.9
98.48262	0.4
99.85676	0.5
103.05450	1.9
105.03310	0.6
105.07022	9.5
107.04945	27.7
107.05611	1.1
107.08504	1.2
109.02811	0.5
109.06479	0.8
109.10101	1.0
111.04346	0.8
114.36304	0.4
115.05335	1.1
117.06982	1.8
118.04061	0.4
119.04930	4.3
119.08513	1.0
121.06488	3.8
121.10056	0.7
123.04427	3.5
125.05967	2.0
128.06120	1.6
128.31929	0.4
129.06906	0.8
131.04913	17.8
131.08553	2.3
132.05721	3.4
133.06480	13.4
133.10124	4.4
135.04306	0.9
135.11612	0.9
137.02281	0.6
137.05963	24.8
141.01695	1.2
141.06898	0.5
143.08429	1.2
144.05617	0.6
145.05431	0.4
145.06441	3.1
145.10088	0.6
146.07239	6.8
147.04280	1.5
147.08020	2.5
147.11626	0.6
149.05966	4.6
149.13127	0.5
151.07465	0.9
153.05392	0.6
153.06804	0.4
157.06404	0.9
159.07964	1.7
160.08720	0.4
161.02345	3.4
161.05968	24.3
161.09601	36.6
161.15828	0.4
162.06534	1.3
163.07426	0.9
163.11087	1.0
165.01819	4.0
167.06924	0.5
167.08499	0.5
171.04280	0.5
171.07881	1.2
175.07434	1.1
176.08229	1.4
177.01743	0.8
177.05370	0.5
177.08975	1.5
177.12714	0.4
177.61159	0.5
179.03307	0.7
182.07182	0.7
183.02884	4.5
185.09497	0.8
189.01834	0.8
191.10643	13.5
194.07312	0.4
195.07944	1.5
195.13776	0.5
195.63739	0.4
197.05875	0.6
197.09633	0.5
201.05399	0.5
203.03188	0.6
203.06902	1.4
203.10477	0.4
205.04880	0.6
207.02745	1.4
211.07408	0.4
211.42949	0.4
212.08258	0.5
214.05984	0.6
217.04834	1.0
219.06407	0.8
223.07469	0.9
224.08212	1.2
225.05312	0.7
227.10596	1.4
229.08476	1.6
231.06378	0.5
234.06573	0.4
239.06946	1.3
240.07713	1.0
241.04958	0.8
243.06343	0.7
251.06870	0.6
253.04854	1.5
255.10135	23.7
257.04361	0.8
267.06659	1.0
269.04269	0.7
271.06064	0.6
281.04391	2.6
283.06000	1.3
285.06985	0.5
287.05484	6.7
289.03433	0.8
295.05948	3.9
298.04675	1.0
299.05472	8.8
307.06180	0.5
311.05475	2.0
313.06961	7.0
321.14798	1.2
323.05457	4.2
325.06808	0.5
337.07025	2.0
339.08661	2.8
351.08612	0.6
353.10312	2.7
365.10175	3.7
377.10260	2.7
387.08746	0.6
391.08011	0.7
401.10001	0.8
415.08298	1.9
417.09595	2.1
419.11255	1.1
421.09268	0.9
429.09637	5.6
441.10025	0.5
445.29529	0.4
447.10699	100.0
448.11066	1.3
457.12543	1.4
459.10593	0.5
463.30313	0.6
471.14355	12.9
483.14261	3.9
501.15466	2.3
508.53366	0.4
589.34247	0.5
607.19580	37.4
607.33832	3.7
608.20026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05494	0.6
57.03416	0.3
67.05499	2.1
69.03416	0.8
69.07062	0.6
69.52911	2.2
71.65285	0.3
79.05486	1.7
81.03402	1.0
81.07037	2.1
83.08601	0.5
84.08108	0.3
85.02892	0.9
86.71442	0.3
87.74722	0.3
91.05463	1.7
91.10001	0.3
92.99733	0.3
93.07011	1.2
95.04946	1.0
95.08599	1.1
97.02859	0.6
103.05474	1.8
105.07014	4.5
107.04941	9.3
107.08564	0.6
109.02856	0.3
109.06521	0.5
109.10142	0.9
111.04449	0.4
115.05478	0.3
117.06998	0.5
118.04176	0.3
119.04937	1.2
119.08584	0.5
121.06474	2.4
121.10102	0.3
123.04411	4.1
125.05961	0.6
127.03840	0.3
131.04912	42.1
132.05240	0.3
133.06496	3.2
133.10146	0.3
135.04373	0.4
135.08058	0.3
135.11673	0.5
136.26047	0.2
137.05962	5.7
143.08565	0.3
145.06474	1.4
145.10147	0.4
147.04387	2.3
149.05977	2.1
149.13226	0.4
151.07559	0.6
157.06413	0.4
159.11629	0.4
161.05959	13.2
162.06717	0.6
163.11134	0.3
165.01826	0.5
167.07018	1.9
167.08516	0.8
171.08035	0.3
175.07530	0.4
177.05521	0.3
177.06963	0.9
183.02840	0.3
184.08809	0.3
187.07666	0.3
187.14705	0.3
189.09067	0.3
194.07262	0.8
195.08041	3.0
197.05940	0.6
197.09561	0.3
209.09573	0.7
211.03821	0.3
212.08351	1.5
216.22984	0.3
221.06145	0.2
222.06708	0.4
223.07513	2.0
224.08302	3.1
225.05363	0.3
227.07130	0.3
227.10619	4.0
237.09155	0.7
238.09564	0.3
239.07069	1.0
240.07788	4.0
255.10127	100.0
256.10474	1.1
257.04504	2.1
275.05487	0.3
299.05420	0.6
373.07309	0.5
377.10065	0.3
379.11722	0.5
389.10162	0.7
391.08060	7.2
403.15164	0.3
417.09686	0.3
421.08658	0.5
453.13379	0.4
483.14157	0.4
509.30978	0.3
566.53729	0.3
607.20135	1.3
607.34698	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	607.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05494	0.6
57.03416	0.3
67.05499	2.1
69.03416	0.8
69.07062	0.6
69.52911	2.2
71.65285	0.3
79.05486	1.7
81.03402	1.0
81.07037	2.1
83.08601	0.5
84.08108	0.3
85.02892	0.9
86.71442	0.3
87.74722	0.3
91.05463	1.7
91.10001	0.3
92.99733	0.3
93.07011	1.2
95.04946	1.0
95.08599	1.1
97.02859	0.6
103.05474	1.8
105.07014	4.5
107.04941	9.3
107.08564	0.6
109.02856	0.3
109.06521	0.5
109.10142	0.9
111.04449	0.4
115.05478	0.3
117.06998	0.5
118.04176	0.3
119.04937	1.2
119.08584	0.5
121.06474	2.4
121.10102	0.3
123.04411	4.1
125.05961	0.6
127.03840	0.3
131.04912	42.1
132.05240	0.3
133.06496	3.2
133.10146	0.3
135.04373	0.4
135.08058	0.3
135.11673	0.5
136.26047	0.2
137.05962	5.7
143.08565	0.3
145.06474	1.4
145.10147	0.4
147.04387	2.3
149.05977	2.1
149.13226	0.4
151.07559	0.6
157.06413	0.4
159.11629	0.4
161.05959	13.2
162.06717	0.6
163.11134	0.3
165.01826	0.5
167.07018	1.9
167.08516	0.8
171.08035	0.3
175.07530	0.4
177.05521	0.3
177.06963	0.9
183.02840	0.3
184.08809	0.3
187.07666	0.3
187.14705	0.3
189.09067	0.3
194.07262	0.8
195.08041	3.0
197.05940	0.6
197.09561	0.3
209.09573	0.7
211.03821	0.3
212.08351	1.5
216.22984	0.3
221.06145	0.2
222.06708	0.4
223.07513	2.0
224.08302	3.1
225.05363	0.3
227.07130	0.3
227.10619	4.0
237.09155	0.7
238.09564	0.3
239.07069	1.0
240.07788	4.0
255.10127	100.0
256.10474	1.1
257.04504	2.1
275.05487	0.3
299.05420	0.6
373.07309	0.5
377.10065	0.3
379.11722	0.5
389.10162	0.7
391.08060	7.2
403.15164	0.3
417.09686	0.3
421.08658	0.5
453.13379	0.4
483.14157	0.4
509.30978	0.3
566.53729	0.3
607.20135	1.3
607.34698	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	606.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00596	0.3
51.02383	0.3
51.05141	0.2
53.03939	1.0
55.05507	7.7
57.03434	1.6
57.07059	0.3
58.06594	3.0
59.05001	1.6
67.05499	1.3
69.03427	4.2
69.84375	2.0
70.06584	2.2
71.01348	0.4
71.04990	0.9
72.08141	0.9
73.02926	1.9
74.06067	1.4
79.05477	0.8
81.03418	3.6
81.07033	1.4
83.01336	0.4
83.04975	4.2
84.08137	52.7
85.02897	10.3
85.06531	1.8
86.06052	2.2
87.00822	0.5
87.04462	1.6
91.05491	1.4
93.07039	0.7
95.04973	1.4
95.08630	0.5
97.02888	3.1
98.06113	0.4
98.09689	3.9
98.20825	0.5
99.04465	2.1
99.09968	0.5
100.11249	2.3
101.02387	0.3
101.06010	17.5
103.03950	0.3
103.05488	0.5
105.07021	1.8
107.04957	0.9
107.08553	0.5
109.02875	2.8
109.06525	0.5
109.10156	0.4
109.62357	0.3
111.04450	0.9
111.05546	0.4
112.07595	0.4
114.09149	0.4
116.07092	0.7
117.06978	0.4
118.80231	0.3
119.04942	0.9
121.02907	0.4
121.06493	0.8
123.04417	8.1
127.03902	4.4
128.08186	0.6
128.10707	21.0
129.05498	0.6
129.06970	0.5
131.04930	0.5
131.08597	0.3
133.06485	0.4
133.10202	0.3
135.04436	0.4
135.08064	0.4
137.06003	0.8
138.05473	0.4
140.07033	0.4
144.06569	0.9
144.10172	0.4
145.05008	0.7
146.06123	0.3
146.09271	1.1
146.11749	12.7
147.04390	2.9
148.04761	0.9
148.07579	0.4
149.02344	0.5
149.06007	2.6
151.07564	0.5
153.01828	0.6
161.05940	0.7
161.09602	0.8
162.06775	0.4
163.03928	0.6
163.07526	5.5
165.05551	0.7
165.09116	0.7
167.06979	2.5
168.07425	0.8
173.05945	0.6
174.06752	0.5
175.03912	0.4
175.07690	0.3
177.05560	0.5
177.09111	8.2
181.08595	4.0
188.12807	0.9
189.09091	1.3
189.52480	0.3
191.03273	0.3
199.07495	0.4
207.06535	0.7
218.13963	0.5
230.13860	1.8
248.14996	0.7
254.13930	0.9
255.06503	2.2
272.14850	3.0
290.13263	0.5
290.15967	12.0
299.12778	5.5
299.15881	0.5
301.07083	0.9
323.09125	4.2
325.07214	0.7
326.07025	0.4
341.10287	1.9
358.12750	0.4
359.11322	2.8
369.09592	0.7
421.14557	0.5
426.21265	0.4
443.21960	0.7
444.22443	1.9
474.91019	0.4
521.16711	0.6
538.55908	0.4
606.29053	100.0
607.16229	1.4
607.29645	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	606.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01863	4.9
55.05501	1.4
57.03428	2.3
58.14855	0.7
61.02913	2.3
67.05497	3.0
68.99779	3.3
69.03423	13.4
69.07063	31.5
71.04998	2.6
71.35885	1.2
71.36223	1.0
73.02908	2.7
79.05491	3.0
81.03406	15.3
81.07054	2.8
83.08620	2.0
85.02898	30.4
87.00823	11.6
91.03944	1.4
91.05463	6.5
93.07030	1.9
95.04961	3.4
95.08591	1.2
96.84272	0.8
97.02890	10.8
97.10166	1.1
99.04449	4.6
103.03934	0.9
103.05445	1.7
105.01863	7.0
105.07005	6.9
106.07354	0.9
107.04962	1.8
107.08577	1.4
109.02872	12.5
109.06506	2.3
109.10159	0.9
115.03989	0.9
115.05478	1.6
117.01846	2.8
117.07020	3.6
119.04929	5.8
119.08591	1.2
121.06506	3.5
123.04417	88.9
127.03909	19.0
129.01842	2.1
133.06493	3.7
135.04434	1.8
135.08055	1.5
137.05965	34.2
145.04950	5.7
145.06465	5.0
145.10094	1.6
147.02800	0.9
147.03281	1.1
147.04399	9.4
147.08098	4.2
149.05972	34.4
151.07536	12.8
159.02893	7.5
160.05278	0.9
161.05908	4.2
162.60641	1.0
163.03941	1.9
163.07533	64.6
165.05504	4.0
167.07106	1.3
169.96814	0.7
173.05974	1.3
175.07542	13.4
177.09010	1.0
179.07019	5.4
185.05901	1.0
187.07527	1.6
189.05473	2.1
189.11305	0.9
191.07014	1.5
191.10626	3.5
203.07028	1.7
205.08466	0.9
205.12207	11.2
217.08574	1.4
217.12244	1.1
225.09036	1.0
227.12712	1.2
239.10773	1.6
245.08060	2.5
253.08623	1.1
267.10110	3.0
271.09601	1.5
273.11185	8.5
285.11191	100.0
297.11227	1.8
299.12799	1.9
309.11194	5.0
315.12225	3.2
327.12231	9.0
339.12357	2.3
339.16095	1.9
341.17331	5.8
351.12213	2.1
363.12088	1.0
365.17456	0.9
381.13300	7.5
383.18674	1.6
393.13260	2.3
401.21457	1.1
407.18680	1.4
485.14420	3.6
497.14258	2.9
515.15375	4.0
533.16510	96.0
534.16455	2.3
553.20215	0.9
606.45453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	3.0
68.99765	2.7
69.03417	5.6
69.07067	29.6
69.76206	7.4
69.76628	9.7
79.76458	2.4
81.03404	9.1
81.07058	3.5
85.02905	17.4
87.00829	4.4
91.05486	6.9
97.02895	8.4
98.20719	4.6
99.04423	3.4
105.07037	5.3
107.08579	3.7
109.02906	6.2
111.11249	2.3
113.78533	2.5
115.05353	2.4
118.97807	2.2
119.04927	8.8
119.08635	2.8
121.06484	4.3
123.04417	87.0
123.05301	4.7
127.03905	10.2
133.06494	3.4
137.05966	30.8
145.04938	6.5
145.06459	4.4
147.04463	5.5
147.08064	3.6
147.11591	2.7
149.05968	33.1
151.07536	15.3
159.02861	2.9
163.07535	59.6
167.07130	2.8
168.89063	3.0
175.07571	12.2
205.12317	7.9
273.11349	5.2
285.11209	86.2
309.11279	2.8
314.54861	2.7
327.12347	3.1
381.13580	3.0
411.14502	2.6
470.23032	2.8
533.16510	100.0
605.75085	2.4
606.19305	4.5
607.23383	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	605.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61973	0.6
55.05496	1.0
57.07068	1.5
67.05508	1.7
69.07058	1.0
69.32243	7.0
69.96300	0.6
71.08629	0.9
79.05477	1.4
81.07056	2.1
83.01099	10.7
91.05486	1.4
93.07077	0.7
95.08604	2.3
97.10172	0.6
98.21619	0.9
105.07049	1.4
107.04926	0.7
107.08615	1.3
109.10212	0.6
111.04212	1.9
112.04965	0.6
119.08610	1.4
121.10112	0.7
127.03673	5.3
141.10172	0.6
144.03947	1.4
155.06795	3.2
171.06277	2.9
199.09502	1.2
275.20157	2.8
313.27359	1.9
337.15576	1.4
349.23740	0.9
367.16565	1.2
395.19919	0.8
409.20047	1.9
413.18890	3.0
428.21173	3.4
466.81375	0.6
485.22870	3.5
501.26196	1.0
545.25348	1.5
551.02588	0.6
587.46851	2.2
605.32373	100.0
606.32898	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	605.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24182	0.2
53.03913	0.4
55.01839	0.6
55.05510	0.9
55.05706	0.2
57.03393	0.8
57.07045	0.5
59.04949	0.2
61.02891	0.6
65.03906	0.2
67.05505	1.1
68.99754	0.3
69.03426	2.7
69.07020	0.8
70.04071	14.7
70.06546	0.2
71.03730	0.5
71.04390	1.0
71.04988	2.3
72.05295	0.5
72.08109	0.4
73.02869	0.7
77.94698	0.2
79.01795	0.2
79.05459	0.7
79.76176	0.2
81.03416	1.5
81.07043	1.4
83.04933	0.8
83.08579	0.3
84.08114	0.4
85.02895	5.8
85.06512	0.5
86.03197	0.4
87.04414	0.4
91.05467	1.6
93.06998	0.7
94.56796	0.2
95.04923	0.7
95.08600	1.1
97.02880	2.0
97.06470	0.2
99.04394	0.6
99.08091	1.4
100.08305	0.3
100.11210	0.3
103.05445	1.1
105.03372	0.2
105.07029	0.9
107.04906	0.6
107.08543	0.7
109.02887	0.9
109.06483	0.4
109.10104	0.7
111.04398	0.7
111.08047	0.3
114.63553	0.2
117.06999	0.2
117.09093	0.3
119.04923	1.1
119.08529	0.6
121.02808	0.5
121.06447	0.2
121.10094	0.5
123.04417	2.0
123.08033	0.3
123.11680	0.2
125.05960	0.3
125.09550	0.3
126.09122	0.2
127.03905	1.9
128.04234	0.3
129.05449	1.1
129.65564	0.2
131.04924	1.7
131.08504	0.4
133.06456	0.4
133.10095	0.4
135.04361	0.6
135.08011	0.5
135.11670	0.4
137.02319	1.0
137.05949	0.3
137.09569	0.3
141.01785	0.3
141.05424	0.3
143.08524	0.3
145.04918	0.4
145.10101	0.3
147.04413	3.0
147.06506	0.3
147.07994	0.3
147.11603	0.5
149.05922	0.5
149.13216	0.3
151.07507	1.0
151.11140	0.3
151.13773	0.2
153.01715	0.2
153.05374	0.3
157.10136	0.2
159.08070	0.2
159.11636	0.3
161.05992	0.3
163.03839	0.5
163.07538	1.0
165.05464	1.5
165.09084	0.4
167.03424	0.4
167.06996	1.0
167.08340	0.2
173.09473	0.2
173.13171	0.2
175.03932	0.2
175.07527	0.3
177.05417	0.5
177.09067	0.8
177.16328	0.3
177.74301	0.2
181.04872	0.4
183.06532	0.2
187.03961	0.3
189.09088	0.3
191.03355	1.9
191.10626	0.3
195.08055	0.4
195.09953	0.3
201.05487	0.3
205.06445	0.3
205.08569	0.3
207.06508	0.4
209.04410	2.0
211.07495	0.2
213.05469	0.2
213.09039	0.5
213.10992	0.2
215.10628	0.2
216.07770	0.3
216.09564	0.9
217.10147	0.3
223.07523	0.3
226.11353	0.2
227.08481	0.2
227.12787	0.4
227.94099	0.2
228.08701	0.2
228.13103	0.3
231.06409	0.3
233.05978	0.2
235.13660	0.2
241.08534	0.5
243.12285	0.2
251.06947	0.4
255.06429	0.4
268.07486	0.2
269.08026	1.3
271.05893	0.6
279.06613	0.7
282.05026	0.2
283.05801	0.3
295.06152	0.2
297.07532	4.0
299.05606	0.2
299.12662	1.6
307.05878	1.5
309.07617	0.3
313.06946	1.1
323.05417	0.3
324.06360	1.1
325.07022	100.0
326.07242	1.2
331.08151	0.7
337.06857	0.4
339.08582	0.4
341.13901	0.4
343.08102	7.6
347.09085	0.2
357.13162	0.8
365.10138	0.8
367.08105	1.0
388.30161	0.2
407.14688	0.4
425.15936	2.3
443.17020	3.6
457.11130	0.3
459.17288	0.6
487.12302	9.4
493.13379	0.9
505.13354	36.2
506.13733	0.4
587.21399	3.0
605.22168	16.7
606.22278	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	605.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
57.03414	0.3
59.84867	0.2
65.35738	0.2
69.03423	0.6
70.06580	0.3
70.39767	0.4
70.40161	0.6
71.04974	0.3
72.08128	0.7
79.05500	0.3
81.03400	0.7
81.07058	0.4
84.08128	0.3
85.02888	1.4
85.06565	0.2
85.36902	0.2
86.34987	0.2
91.05477	0.6
93.07050	0.4
95.04969	0.2
95.08622	0.4
97.02869	0.7
98.09723	0.2
105.07077	0.3
107.04978	0.3
107.08584	0.3
109.02901	0.5
109.06519	0.2
109.10137	0.4
110.02387	0.2
113.02089	0.3
119.04927	0.5
119.08464	0.2
120.08114	0.4
121.02858	0.4
121.06496	0.2
121.10125	0.3
125.05959	0.3
127.03919	1.0
129.05388	0.3
133.10175	0.3
137.02354	0.4
145.04929	0.3
146.24010	0.2
147.04385	1.8
149.05927	0.2
161.06128	0.3
167.07014	0.6
173.05847	0.2
185.04170	1.8
185.05513	0.2
189.05208	9.5
190.05928	0.5
201.05182	0.3
202.06053	0.6
203.06769	1.4
207.06531	0.3
216.07570	2.1
217.04842	1.3
217.08334	3.4
219.06415	0.5
231.06329	0.4
232.07039	16.8
233.07797	2.7
245.07809	4.0
245.10031	0.3
255.06459	0.3
256.06812	0.4
269.08041	2.9
270.05258	0.4
270.08450	0.8
271.05896	0.8
275.13754	0.3
279.06577	0.6
279.09244	0.4
280.06781	0.8
280.09482	0.3
281.04370	1.4
281.07010	0.3
282.07205	0.3
296.09146	8.9
297.09811	10.7
298.07187	0.6
298.10480	0.4
352.11319	0.3
365.12021	8.1
379.13602	24.9
380.14038	0.4
395.13065	2.6
412.14868	0.4
413.15863	0.3
427.13620	1.0
442.16046	0.9
443.16779	5.4
444.17020	0.3
574.20422	0.6
575.20313	0.8
598.78754	0.3
605.21924	100.0
606.22485	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	605.199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68051	0.5
52.56431	0.5
53.03931	1.0
55.01873	1.0
55.05503	1.7
57.03411	1.3
57.07069	1.1
67.05492	2.3
68.99783	1.1
69.03421	4.0
69.07063	4.1
70.06574	0.6
71.01360	0.5
71.04980	2.0
71.61785	0.7
72.08134	0.9
79.05489	1.8
81.03408	4.4
81.07054	5.7
83.04988	0.8
83.08611	1.2
85.02895	8.8
85.06536	6.2
86.09726	0.5
87.00841	0.7
91.05465	3.2
93.07027	6.9
95.04950	1.7
95.08599	5.8
97.02871	3.8
97.06542	1.5
99.04433	1.0
105.07028	4.6
107.04948	1.3
107.08595	4.3
109.02856	2.5
109.06501	1.0
109.10142	5.4
111.04426	0.5
111.08054	1.2
111.11723	1.7
115.05415	0.8
117.07034	0.9
118.04173	0.5
119.04962	1.2
119.08572	3.5
121.06508	2.8
121.10123	3.0
123.04412	10.1
123.08057	1.3
123.11694	2.2
125.06031	0.6
127.03884	4.5
127.11211	0.6
129.05527	0.5
131.08577	1.7
133.06448	0.7
133.10123	2.9
135.04378	0.6
135.08069	1.7
135.11679	2.1
137.05994	1.8
137.09679	0.5
139.07539	2.5
143.08546	0.7
145.04962	1.1
145.06485	0.5
145.10083	2.8
147.04405	3.2
147.11722	2.6
149.05959	6.0
149.09639	0.6
149.13242	1.9
151.03923	0.9
151.07536	6.6
151.11223	0.9
157.10132	1.0
159.02913	0.8
159.08034	0.6
159.11746	1.8
161.05943	0.7
161.09618	0.8
161.13240	0.8
162.06718	0.6
163.07501	3.6
163.11174	0.7
163.14839	0.7
165.05495	0.6
165.09123	2.6
165.12769	0.6
167.07025	59.9
171.11786	0.7
173.13261	0.9
175.03885	4.8
175.07552	1.7
175.14832	1.4
177.09158	0.9
177.16411	1.7
179.03448	0.8
181.08640	0.5
185.13283	1.1
187.07494	0.5
189.09058	1.3
189.12852	0.8
189.16298	0.8
191.10678	2.4
191.17952	1.0
193.08597	0.8
201.16438	0.7
203.10712	1.8
203.17961	2.1
205.08646	1.0
205.12196	1.8
205.15868	0.7
207.10214	1.9
215.17847	0.6
221.11771	2.3
222.64388	0.5
245.11963	0.6
255.06560	0.9
267.06573	1.8
271.05817	0.5
285.11349	1.9
287.05402	0.7
297.07492	6.5
301.07037	3.8
314.78467	0.6
321.24277	0.9
329.12668	0.6
339.12323	3.4
339.15982	1.4
341.14468	0.6
348.31699	0.6
353.10458	0.6
357.13174	3.1
357.17007	1.5
407.14832	0.8
423.36249	1.1
425.15817	1.3
425.30463	3.7
441.37259	0.8
443.16180	1.2
443.31519	7.0
460.40405	0.6
489.16479	0.6
574.19507	0.9
605.19897	100.0
606.20197	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	605.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01822	0.7
55.05473	0.5
57.03432	1.5
60.67429	0.2
61.02876	1.0
65.03908	0.3
67.05475	0.4
68.99741	0.7
69.03423	7.6
69.07053	0.6
69.44410	0.3
69.44808	1.9
70.36586	0.2
71.01312	0.3
71.04937	1.0
71.05293	0.2
72.08107	0.4
73.02914	1.5
79.05445	0.6
81.03408	7.9
81.07052	1.4
83.04926	0.5
84.33232	0.2
85.02898	10.1
85.06498	0.3
87.00829	2.1
87.04417	0.3
91.05422	0.8
93.06993	1.0
95.04928	0.4
95.08593	1.1
97.02886	3.5
99.04454	2.0
101.02296	0.3
103.03875	0.9
105.01833	1.3
105.06991	0.7
107.04861	0.3
107.08539	0.9
109.02868	5.1
109.06503	0.2
109.10103	0.8
111.04403	0.3
111.08032	0.2
117.01813	0.3
119.04876	0.9
119.08524	0.8
121.02090	0.3
121.02859	2.8
121.10081	0.7
123.04351	0.3
123.15078	0.2
123.73701	0.2
124.08500	0.2
125.05944	0.2
125.09626	0.3
126.04630	0.2
127.03904	6.8
129.01794	0.8
129.06982	0.3
131.04930	0.3
133.10071	0.6
135.11647	0.5
137.05896	0.4
139.03831	0.9
145.04909	1.6
145.10066	0.3
147.04376	1.3
147.05380	0.2
147.11664	0.3
149.02376	1.3
149.05960	0.4
151.03914	0.3
151.07503	1.2
153.06912	0.3
155.08521	0.6
159.02811	0.8
159.11633	0.4
165.06984	1.2
167.03387	0.5
167.07039	3.5
171.11769	0.3
175.11055	0.2
183.08018	1.0
187.05956	0.7
191.10663	0.7
193.06331	0.3
211.07486	2.0
213.03886	0.4
213.09140	0.4
222.06645	0.3
231.04939	0.4
239.07027	2.8
249.05504	0.4
253.05089	0.2
254.05762	0.4
255.06580	0.5
256.00302	0.3
267.06494	41.4
268.06888	1.7
269.08060	0.6
280.07193	0.3
281.04773	0.3
282.05188	1.9
285.07785	0.3
291.06424	0.6
296.06732	0.7
297.07541	100.0
298.07904	2.1
309.07553	2.1
311.05374	0.3
321.07520	0.7
324.06177	0.7
325.07001	0.5
337.06985	0.3
339.08551	5.8
339.12219	37.7
340.12408	1.1
357.10013	0.3
357.13281	7.8
358.06854	0.3
358.13440	0.3
363.08463	0.3
364.09213	0.2
381.09009	0.3
381.13641	0.7
441.11993	0.3
459.12784	4.0
501.18759	4.6
519.18640	3.1
527.11902	1.1
543.18640	11.7
544.19073	0.4
545.12848	12.9
546.13135	0.5
561.19757	0.8
569.16418	2.1
587.17560	26.3
588.17908	1.2
605.18622	9.7
605.32928	0.4
606.19220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.6
55.01862	9.6
55.05257	3.0
55.05508	41.0
56.23001	2.2
57.03428	5.5
57.07066	4.3
58.63835	2.3
59.04997	3.1
61.02917	2.4
65.03911	3.7
65.10691	2.0
67.05166	4.0
67.05500	55.2
67.83858	2.3
68.99752	2.1
69.03428	16.4
69.07060	38.1
71.04977	8.8
71.61621	3.1
72.08135	2.7
73.02914	2.7
79.05487	41.7
81.03433	12.4
81.07047	88.0
83.04976	10.0
83.08607	24.4
85.02898	13.2
85.06524	6.8
91.04956	3.6
91.05473	42.7
93.07030	50.2
95.04961	19.6
95.08598	51.9
97.02886	9.5
97.06540	14.5
97.10175	13.8
99.04439	5.1
99.08089	5.9
103.05470	3.4
105.07025	47.2
105.07675	4.1
107.04935	9.5
107.08584	44.4
109.02855	9.6
109.06484	17.3
109.10152	28.0
111.04430	3.6
111.08070	5.8
111.11710	2.7
115.05421	4.4
117.07002	21.7
119.04916	4.1
119.08569	42.2
119.09348	3.5
121.06505	7.6
121.10137	32.7
123.04420	16.4
123.08076	11.0
123.11703	8.9
125.06009	2.5
125.09627	14.8
127.03906	10.0
127.07606	2.7
129.06978	10.0
131.08553	28.0
133.06477	7.0
133.10118	39.4
135.08060	14.5
135.11676	18.7
137.02385	3.0
137.05963	6.7
137.09618	10.3
137.13240	4.7
139.07486	3.0
141.06947	5.5
142.07765	3.2
143.08572	12.4
145.06476	4.9
145.10117	26.0
147.04405	6.7
147.08014	7.2
147.11655	21.1
149.05965	5.1
149.09622	13.9
149.13255	12.4
151.07512	12.8
151.11186	4.7
155.08534	6.1
157.10146	14.3
159.08069	5.8
159.11681	23.2
161.09613	5.9
161.13208	10.6
163.07622	5.2
163.11188	12.0
163.14766	3.4
165.05600	2.6
165.12825	3.8
167.07048	15.0
167.08328	3.4
169.10153	7.9
170.83565	2.3
171.08005	2.8
171.11652	8.9
173.09618	3.1
173.11884	2.9
173.13300	10.8
175.07561	5.4
175.11172	6.2
175.14798	5.9
177.05492	2.6
177.12694	6.3
179.10574	3.4
179.14278	3.5
183.11713	11.1
185.13232	7.4
187.11177	5.5
187.14801	6.2
189.09160	4.0
189.11163	6.8
189.12746	3.3
189.16396	2.9
191.14247	4.9
193.05048	2.4
193.08620	3.0
193.12184	3.0
197.13228	8.3
199.14795	3.0
201.12762	3.0
201.16330	3.2
203.10715	3.4
203.14426	2.5
205.12328	3.7
207.13782	4.5
209.13382	3.3
211.14839	4.7
211.16879	3.4
213.05379	3.0
213.12862	2.9
213.16319	2.3
215.14224	4.5
219.10071	2.7
225.16223	3.1
235.16945	7.5
239.18042	5.2
251.20227	2.8
257.19003	12.0
257.89954	2.5
269.07983	2.3
271.06091	4.0
273.18628	6.9
275.20038	100.0
277.21661	6.5
283.06104	6.2
285.11392	3.1
285.22092	3.2
287.20306	3.2
289.21646	4.5
291.19568	8.5
293.21060	20.4
295.05963	6.3
299.19839	2.3
311.05518	13.1
319.26382	4.8
325.07269	2.5
327.23282	2.5
337.06915	3.1
337.10681	2.9
347.09131	10.0
349.10791	3.4
350.10809	3.5
355.11938	10.6
355.15491	2.7
365.10205	19.0
366.10904	3.1
397.31482	3.2
413.30569	3.2
423.13992	11.2
431.31638	4.2
435.32547	2.7
437.30118	2.8
441.15289	2.7
441.29965	2.8
445.32660	2.9
455.31354	2.4
457.32776	2.8
461.32434	9.4
471.34192	2.2
473.32443	4.8
487.34665	4.1
527.15533	7.5
531.15332	2.5
531.38123	5.2
549.39288	8.0
567.40472	11.9
585.19830	17.7
585.41595	11.6
586.20618	2.6
603.20575	6.9
603.42688	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	603.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.5
53.03943	0.4
55.01855	0.5
55.05509	1.4
57.03414	1.3
61.02909	1.1
62.78549	0.4
62.78849	0.4
69.03422	3.8
69.62106	1.3
69.62531	1.3
70.06575	1.1
71.04980	0.5
72.08147	7.9
72.09936	0.3
73.02879	0.7
80.01384	0.6
81.03393	1.4
82.02929	2.2
85.02422	0.7
85.02895	10.2
87.04449	0.6
91.05460	1.5
97.02871	3.2
97.34071	0.4
98.02415	2.8
98.06046	0.8
99.04462	0.6
100.20197	0.4
101.02425	0.4
107.04942	1.7
109.02885	1.8
110.02391	88.1
111.02777	0.4
114.09147	0.5
115.08688	0.7
119.04936	3.0
127.03903	2.1
145.05003	0.8
145.06456	1.9
147.04388	5.0
150.09155	0.4
152.07053	51.4
167.07033	0.7
169.09711	36.3
173.05957	1.6
175.03894	2.0
176.04753	0.3
181.06374	0.7
185.09622	0.5
186.89294	0.3
188.90279	0.3
195.08038	0.7
205.08585	0.7
207.06480	3.2
207.08119	0.4
211.10715	1.3
213.09091	1.3
231.06523	0.8
237.09056	0.4
241.08591	2.2
247.10866	0.5
250.51213	0.4
258.08826	1.1
265.08685	1.0
273.11270	1.9
277.11920	0.5
353.10101	0.5
396.17703	0.4
423.18753	0.4
424.17801	2.2
438.99091	0.4
441.20181	100.0
442.20316	1.3
483.21344	3.1
516.75818	0.4
519.21155	3.9
531.21362	0.7
537.22137	1.0
549.22302	2.0
567.23199	2.2
585.24518	1.7
587.23676	0.4
603.25464	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	603.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01851	1.1
55.05501	2.2
56.96548	0.8
57.03416	1.7
61.02903	1.7
68.93940	0.4
69.03424	7.1
69.07062	0.5
69.58475	3.2
70.06567	1.4
71.01352	0.4
71.04991	1.0
72.08150	10.7
73.02892	1.3
73.38406	0.3
80.01366	1.0
81.03406	2.4
82.02937	3.2
83.04966	0.4
84.08121	1.1
84.96008	0.4
85.02898	14.6
86.09686	0.5
87.04453	1.1
91.03954	0.5
91.05468	2.1
97.02881	4.6
98.02424	3.4
98.06035	1.2
98.97581	2.5
99.04430	1.2
101.02340	0.4
107.04945	1.3
109.02896	1.8
110.02393	100.0
111.02759	0.5
111.60102	0.4
114.10311	0.6
115.03956	0.4
115.08706	0.6
116.98639	1.5
117.07011	0.6
119.01885	0.8
119.04950	4.2
121.02865	0.7
127.03910	3.6
128.03415	0.4
128.98558	0.6
131.01886	0.7
134.99663	0.9
137.05974	0.8
138.05489	1.2
143.01881	0.8
145.04961	1.8
145.06464	2.0
146.99600	0.5
147.03244	0.5
147.04393	7.2
152.07054	55.2
153.07352	0.4
157.03331	0.4
158.99648	0.8
161.01222	0.5
161.02985	0.8
165.22462	0.4
167.07094	0.9
167.08472	0.7
169.09706	38.8
170.99579	0.4
171.08040	0.4
173.02966	0.9
173.05945	1.6
175.03893	2.5
177.00699	1.3
177.05518	0.5
181.06480	0.4
185.02954	1.0
189.00674	0.9
191.03839	0.7
194.09216	1.2
195.07993	0.9
198.06688	0.5
201.00667	2.0
203.03987	0.8
205.08582	0.5
207.06541	4.1
211.10739	1.5
213.09132	1.8
218.11827	0.5
219.01727	1.5
221.05037	0.6
231.06497	1.3
235.10646	0.7
235.14372	0.8
237.02773	1.7
241.08598	2.0
245.05077	2.3
247.10774	0.8
258.08838	1.2
261.02792	1.4
265.08597	0.5
273.11270	1.4
276.99762	0.5
279.03888	1.2
281.07126	0.8
291.03699	0.4
293.07813	0.6
295.12875	0.5
297.11298	0.6
305.07675	0.4
321.04892	0.7
325.10757	0.5
330.13358	0.7
351.09921	0.6
362.09665	0.6
364.60184	0.4
365.09479	0.5
370.12616	0.6
411.19202	0.6
423.19162	0.6
424.17468	2.6
431.62579	0.9
432.13556	0.4
441.20184	91.4
442.20523	1.0
453.10779	0.9
472.96457	0.5
477.09860	0.6
483.21246	3.1
507.21094	0.7
519.21246	3.4
531.21222	0.8
549.22504	1.3
559.14270	1.0
567.23370	1.8
585.24176	1.2
603.13043	5.2
603.25659	10.3
604.12915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01860	0.8
55.05502	0.5
57.03413	0.6
61.02911	1.0
63.13347	0.2
67.05483	0.9
68.99755	0.8
69.03431	4.2
69.07053	0.9
69.69601	2.0
70.06573	0.3
71.04996	0.5
72.08131	0.3
73.02896	0.8
78.87804	0.2
79.05480	0.7
81.03421	3.4
81.07040	1.1
83.04970	0.4
85.02419	0.4
85.02901	5.4
87.00814	1.5
87.04418	0.4
91.03951	0.3
91.05468	1.0
93.07018	0.8
95.08595	1.4
96.33768	0.3
97.02888	2.4
99.04449	1.3
103.05480	0.3
105.01831	0.7
105.07000	0.8
107.04940	0.5
107.08585	1.2
109.02862	2.3
109.06451	0.4
109.10150	1.0
119.04968	0.5
119.08547	0.7
121.06523	0.3
121.10149	0.6
123.04412	0.9
123.11700	0.5
127.03905	4.2
129.01851	0.4
133.06512	0.3
133.10074	0.3
135.04427	0.6
135.08086	0.3
135.11678	0.6
137.02341	2.3
137.09590	0.4
141.01805	1.0
143.08479	0.4
145.04929	0.8
145.10020	0.4
147.04422	0.8
147.11578	0.4
149.13165	0.3
151.07532	0.3
153.05438	0.8
157.10057	0.4
159.02910	0.8
159.11626	0.4
163.07509	0.3
165.01833	2.8
165.05499	0.4
165.09052	0.4
167.07039	2.3
173.13213	0.3
175.03934	0.6
175.14780	0.3
181.29683	0.3
183.02887	3.1
187.05992	0.3
187.07642	0.4
189.09113	0.6
197.05988	0.4
199.02344	0.3
215.07050	0.8
225.05453	0.5
227.07025	0.5
243.06505	2.0
253.04900	0.7
257.04691	0.6
271.05988	2.6
279.70752	0.3
281.04303	0.7
287.05347	0.5
295.05881	0.3
298.04727	1.3
299.05484	100.0
300.05847	1.3
310.04688	0.8
325.07047	4.5
341.06497	1.5
346.07962	0.3
355.11740	15.7
367.11642	1.1
381.12915	0.4
423.17920	0.9
441.18869	0.8
461.10764	5.6
503.11856	4.9
517.17065	2.2
529.09473	1.1
529.16626	0.5
547.10773	14.2
559.18439	1.5
585.15253	0.6
603.16949	9.0
603.31482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.0
59.91938	1.0
66.19142	0.8
67.05491	2.2
67.28072	0.8
68.99780	1.4
69.07071	1.5
71.61999	1.8
79.05453	0.9
81.03416	2.8
81.07059	1.6
82.42567	0.9
85.62418	0.8
91.05473	3.3
92.99760	6.8
93.07040	2.2
95.04967	1.1
95.08608	3.2
96.55219	0.8
99.24563	0.9
107.08588	1.3
109.10144	2.0
119.04955	1.8
119.08570	2.0
121.02843	2.3
121.10141	2.0
131.04955	1.7
135.04410	4.8
137.02336	22.6
147.04430	3.3
147.06425	1.0
161.13295	0.8
163.03882	5.4
167.06981	1.0
175.14783	1.1
187.07581	1.2
193.04955	1.5
207.02969	3.2
221.09686	1.8
234.06741	1.9
262.06400	1.2
263.06836	1.1
271.06125	3.0
273.03876	10.7
275.06943	1.5
277.08533	9.1
283.06046	5.4
287.06885	1.6
297.03949	1.8
301.08496	1.4
305.08115	4.6
307.06143	1.2
316.07422	1.3
321.07733	1.4
329.08148	1.6
330.08783	6.8
333.07614	6.1
357.07553	3.1
361.07098	1.6
371.09036	1.5
381.07709	1.2
395.09274	5.9
408.10092	1.5
419.09070	1.9
421.10767	3.0
423.08405	2.3
426.07358	1.6
434.07941	4.7
441.09601	4.8
447.08719	1.7
449.09998	3.3
455.07062	1.2
467.11288	4.0
476.08545	1.2
493.09375	4.1
511.11563	2.0
513.09509	2.2
529.12726	4.4
531.10590	1.7
533.12018	1.0
539.10968	3.2
541.12122	1.0
542.09821	2.7
547.13147	1.0
557.12097	8.6
567.10718	3.0
570.09509	6.5
575.13171	6.6
585.11786	30.7
586.11865	1.2
602.38165	1.4
603.12799	100.0
604.12836	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	602.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01868	0.3
63.78096	0.2
69.03411	0.4
69.58107	0.2
69.58459	1.5
70.06564	0.3
71.04976	0.3
78.04698	0.8
79.05485	1.0
81.03403	0.2
84.49654	0.2
85.02901	1.3
91.05476	0.4
93.07029	0.2
95.04993	0.4
97.02887	0.5
98.21455	0.4
103.05428	0.2
105.06994	0.7
106.04159	0.5
107.04947	1.4
109.02867	0.2
119.04928	0.2
121.06474	0.4
123.04411	2.6
124.05202	1.3
127.03910	0.5
133.06464	0.6
136.18245	0.2
147.00484	0.2
147.04370	0.5
149.05954	0.7
151.03880	0.4
152.04712	0.7
161.05994	0.6
163.07605	0.3
165.05440	0.2
165.95767	0.2
167.07024	100.0
168.07362	1.6
169.07608	0.3
179.06998	0.4
180.08679	0.2
181.08595	0.9
193.08594	3.9
194.09038	0.2
207.10049	0.3
211.09639	16.6
212.09795	0.3
213.11183	0.9
266.13791	0.2
603.17102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
69.03435	1.1
70.06581	1.1
71.03664	1.1
72.08146	1.2
78.04697	1.9
79.05479	2.3
81.03403	0.8
81.07009	0.7
84.08132	0.6
85.02899	2.4
87.04425	0.5
91.05466	1.2
92.99243	0.4
93.07050	0.8
95.04962	1.0
97.02847	1.0
97.06548	0.9
101.06039	0.4
103.05466	3.8
105.07018	4.6
106.04168	0.8
107.04955	6.0
109.02860	0.5
109.06535	1.0
112.77077	0.4
115.05441	1.7
117.06997	1.1
119.04951	1.6
119.08537	0.6
121.02890	0.6
121.06486	1.9
123.04398	4.7
123.08095	0.5
123.68691	0.5
124.05252	2.5
125.05989	0.6
127.03900	1.5
129.06976	0.8
131.04924	6.4
131.08565	0.7
133.06483	5.6
135.08026	1.8
136.06165	5.3
137.05959	2.3
139.07507	0.6
140.35970	0.5
141.06998	1.3
143.05995	0.4
144.05687	0.6
145.06439	2.6
147.04425	3.7
149.05971	0.6
151.03880	0.9
151.07538	3.9
152.04663	2.1
153.05431	0.7
159.08070	1.5
160.05193	0.7
161.05971	6.0
162.02910	0.5
163.07527	9.9
163.08788	0.9
165.09236	0.6
167.07028	100.0
168.07329	0.8
172.05203	0.7
173.06029	1.2
173.09554	1.0
175.07530	2.3
177.09138	1.9
179.07001	3.0
180.08788	0.4
181.08575	4.7
186.06691	0.6
187.07477	2.2
192.07858	0.7
193.08589	14.1
201.09114	1.6
205.08606	1.0
207.10220	0.8
217.08549	0.6
219.08266	0.5
219.10106	2.4
231.08051	0.7
233.11702	3.0
237.11160	2.7
251.12819	1.3
263.10684	0.8
291.10226	0.7
323.12769	1.7
330.19110	0.8
354.31784	0.5
355.11542	0.4
355.15353	11.6
387.18011	10.3
405.19052	24.1
406.19522	0.6
422.23779	1.5
423.19876	0.8
538.00800	0.5
584.28870	1.0
602.23682	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	601.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64458	3.1
53.03934	9.7
55.05505	17.2
57.07063	11.5
62.57681	3.8
67.05501	38.0
69.03405	13.9
69.07056	31.3
71.63004	4.5
79.05480	39.4
81.03404	6.7
81.07047	57.2
83.04987	16.8
83.08611	17.5
85.06537	8.2
87.04421	7.0
89.06023	6.4
91.05476	57.2
93.06470	5.0
93.07036	94.5
95.04966	26.4
95.08588	50.9
97.06509	12.0
97.10158	4.7
98.19587	3.5
103.05411	5.5
105.07021	100.0
107.04963	5.8
107.08585	77.0
109.06497	20.0
109.10144	40.3
111.08105	5.0
112.73785	3.3
115.05447	7.1
116.06168	4.7
117.07023	25.6
119.08562	84.5
121.06499	14.2
121.09311	6.9
121.10138	91.0
122.10578	3.9
123.08038	15.1
123.11691	13.1
125.05982	4.0
125.09623	13.1
126.65395	3.2
128.06197	10.5
129.06993	15.2
130.07739	7.3
131.08542	46.9
131.23169	3.5
133.06503	5.6
133.10118	62.7
135.08005	20.0
135.11674	26.7
137.09618	8.5
139.11171	7.3
141.06999	7.8
142.07755	24.1
143.08549	46.2
144.09309	11.3
145.10106	67.3
147.08029	13.2
147.11685	27.1
149.09592	23.1
149.13307	5.0
151.07423	4.3
151.11162	3.9
154.07779	3.9
155.08536	22.6
155.10600	8.1
156.09337	18.4
157.10117	56.0
158.10794	7.0
159.08035	19.4
159.11685	39.3
161.09583	16.6
161.13252	9.9
163.11154	11.4
165.07004	7.9
165.09065	18.7
166.07831	4.1
167.08540	10.4
167.10663	60.8
168.09276	6.0
169.10101	28.1
170.10831	7.5
171.08096	3.5
171.11708	31.7
173.13213	25.1
175.11148	8.9
175.14851	21.7
179.08594	8.9
180.09357	7.4
181.10098	18.9
181.12265	8.4
182.10869	6.5
183.11690	25.3
184.12413	6.3
185.09621	7.0
185.13235	18.8
187.11160	5.2
187.14793	11.4
189.12758	10.1
189.16286	4.1
191.14067	3.4
193.10110	11.4
194.10834	12.6
195.11749	22.5
196.12366	8.5
197.09564	4.3
197.13229	26.0
199.11145	5.5
199.14796	8.6
201.12665	5.9
201.16342	8.9
203.14359	8.6
206.10823	6.5
207.11653	14.4
207.13562	3.8
208.12329	5.6
209.13254	22.5
209.15002	4.4
210.13931	5.0
211.14781	16.4
213.16428	5.4
215.14214	7.0
220.12415	4.5
221.13232	15.0
221.15344	41.6
223.14832	21.0
224.15604	4.8
225.16278	5.9
229.16022	4.1
233.13196	7.1
233.15274	29.0
234.14107	3.5
235.14748	10.6
237.12895	4.0
237.16379	6.3
239.14346	5.5
239.17818	6.6
241.15837	4.1
247.14789	5.4
249.16292	7.2
251.17839	8.1
255.17480	7.5
261.16205	5.6
263.17874	5.5
265.19525	4.4
266.11649	3.7
269.19061	10.5
277.19577	4.1
281.19073	4.3
283.20496	8.9
285.70120	3.8
293.18933	4.5
301.21716	4.3
311.19800	5.4
313.27234	4.4
331.24200	4.8
362.35251	3.5
396.82715	3.8
436.64731	4.2
491.35321	5.1
534.55994	3.8
565.39868	8.8
583.41180	17.0
601.42548	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.05511	7.4
56.80647	0.9
57.07060	2.4
59.05005	1.1
65.03939	1.6
67.05498	10.4
69.03416	3.5
69.07062	9.2
71.04976	0.9
71.14663	2.0
77.03931	1.5
79.05483	14.5
80.05859	1.0
81.07056	12.9
83.04974	6.5
83.08614	3.6
85.06561	2.3
87.04445	2.3
89.06018	8.1
91.05466	17.7
91.42532	0.9
92.05804	0.9
93.07042	25.9
95.04961	11.1
95.08612	12.6
97.06496	5.4
103.05460	5.0
105.07024	100.0
106.07358	20.4
107.04924	1.5
107.08585	24.5
107.09291	1.8
109.06490	5.2
109.10138	10.1
111.08085	1.9
113.09618	0.9
115.05432	1.5
117.07017	8.1
118.07849	0.9
119.08572	26.2
121.06480	9.3
121.10130	26.5
121.11022	1.5
122.06845	1.5
123.08045	6.3
123.11699	3.2
125.05988	1.1
125.09596	4.7
128.06165	4.4
129.07002	6.8
129.25987	0.9
130.07765	3.6
131.08560	13.5
132.09058	1.0
133.06589	0.8
133.08568	2.9
133.10124	20.6
135.08058	5.9
135.11702	6.6
135.59164	0.8
137.05998	1.0
137.09581	3.4
139.11186	1.4
141.06973	3.1
142.07784	8.4
143.08557	12.9
144.09302	3.5
145.06430	1.1
145.10106	26.0
146.10501	1.4
147.08029	6.1
147.11685	6.8
149.09601	5.9
149.13252	1.3
151.07597	2.1
151.11244	1.2
153.06911	1.0
154.07704	1.3
155.08501	6.8
155.10646	2.7
156.09367	6.1
157.10112	19.8
157.13278	0.9
158.10883	2.0
159.08026	4.9
159.11681	13.1
161.09636	4.0
161.13240	3.8
163.11189	4.0
165.06992	2.3
165.09088	10.6
165.12766	1.0
166.09445	1.7
167.08531	3.3
167.10654	15.6
168.09358	2.2
169.10143	10.7
170.10893	3.1
171.07872	0.9
171.11682	13.3
172.08496	0.9
173.09621	1.7
173.13277	8.0
175.11082	4.4
175.14792	4.3
177.12669	1.6
179.08574	3.6
180.09293	2.0
181.10115	6.6
181.12216	2.0
182.10881	3.6
183.11659	8.9
184.12332	1.8
185.09608	0.9
185.13255	8.4
186.13715	1.2
187.11189	2.3
187.14792	4.0
189.12695	2.6
191.14275	1.9
192.09404	1.2
193.10104	4.2
194.10866	4.1
195.11732	7.0
196.12476	3.6
197.13280	7.0
199.11171	1.5
199.14714	4.3
201.12668	1.1
201.16379	1.2
203.14285	3.5
205.10374	1.1
205.15958	1.0
206.10941	1.8
207.11794	4.5
207.13606	1.5
208.12453	2.7
209.13275	11.4
209.15170	1.3
210.13902	1.6
211.14854	6.6
213.12784	1.7
213.16327	1.7
215.14388	2.1
217.10095	1.1
217.15891	1.1
219.11691	2.8
220.12410	1.5
221.13217	4.8
221.15388	15.2
222.14012	1.5
223.14766	4.2
225.12747	2.2
225.16367	2.8
227.14403	2.2
227.18011	1.3
231.11513	1.0
233.13206	3.5
233.15390	8.6
234.13800	1.0
234.15971	1.6
235.14789	3.6
237.16360	2.5
239.14331	1.3
239.17911	1.4
245.13312	1.7
247.14702	2.1
249.16331	2.2
251.14278	1.2
251.18005	2.4
253.19586	1.2
255.17281	1.4
257.18982	1.4
259.14569	1.3
260.15652	1.5
261.16321	2.7
263.17923	1.9
265.19464	2.7
267.17209	1.1
269.18915	4.7
271.15317	15.1
271.20026	1.2
272.15710	9.1
274.16968	1.1
277.19415	1.7
281.19070	2.7
283.20532	3.4
285.18439	1.4
287.20215	1.5
291.21124	1.0
293.18875	1.8
295.20483	2.2
299.20279	1.5
301.21674	1.8
307.20013	1.0
309.22092	1.0
311.20044	1.2
317.22705	1.4
318.67636	1.0
349.25232	3.1
353.24396	2.0
367.26282	1.9
375.21664	10.4
375.26242	1.2
376.21912	15.1
378.25293	1.1
404.99997	0.9
480.28275	2.8
521.36304	1.2
565.40137	3.2
583.41235	5.3
601.43372	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48130	2.0
53.03941	6.2
55.01862	2.7
55.05507	26.3
57.07066	9.0
59.04995	3.3
65.03924	5.4
65.07774	2.2
67.05499	29.6
69.03415	15.7
69.07057	22.1
70.56784	6.1
70.57139	3.5
71.04984	4.5
77.03929	2.8
79.05479	34.1
81.07044	43.5
83.04973	20.5
83.08610	16.5
85.06530	6.5
87.04472	5.7
91.05470	60.9
93.07034	82.1
93.07619	4.2
94.07394	2.4
95.04972	30.3
95.08599	38.1
97.06537	12.2
103.05447	6.8
105.07019	97.8
107.04945	3.3
107.08585	75.4
109.06507	18.1
109.10142	36.4
111.08089	4.7
113.09653	5.1
115.05444	8.6
116.06215	2.8
117.07009	23.2
119.08570	100.0
121.06510	14.8
121.10131	81.5
123.08068	11.0
123.11697	13.8
125.05977	3.0
125.09623	16.9
128.06213	16.5
129.07019	22.4
130.07745	10.8
131.08563	41.0
133.06511	2.8
133.10123	52.7
135.08041	16.2
135.11662	20.3
137.09610	9.0
139.11163	8.1
141.07002	8.6
142.07762	23.0
143.08549	47.2
144.09349	12.2
145.06372	2.7
145.10106	69.4
146.10507	2.6
146.62474	2.5
147.08018	13.0
147.11668	24.5
149.09615	20.5
149.13242	4.6
151.11098	3.4
153.06998	4.8
154.07762	5.7
155.08517	15.4
155.10664	9.6
156.09329	20.0
157.10120	57.9
157.11420	3.0
158.10892	12.6
159.08052	17.3
159.11681	36.4
161.09659	14.4
161.13255	10.0
163.11156	9.8
165.06996	8.3
165.09137	6.1
167.08505	8.2
167.10654	78.5
168.09268	7.9
169.10109	31.0
170.10822	6.5
171.07968	3.5
171.11668	36.0
172.08688	3.0
173.09628	6.6
173.13234	23.0
175.11174	12.4
175.14818	18.9
179.08507	11.6
180.09254	6.8
181.10100	19.7
181.12204	6.0
182.10901	10.4
183.11670	27.4
184.12357	3.2
185.09569	3.9
185.13214	18.2
187.11189	4.6
187.14752	14.1
189.12785	8.3
189.16333	3.6
191.14294	6.7
192.09323	5.2
193.10152	14.9
194.10890	8.2
195.11685	25.6
196.12389	10.2
197.13220	24.4
198.14009	4.2
199.11111	3.8
199.14789	15.5
201.12712	5.4
201.16376	7.2
203.14302	7.0
205.10017	3.6
206.10915	8.7
207.11691	16.6
207.13591	3.7
208.12286	7.1
209.13277	22.2
209.15141	4.2
210.13971	4.5
211.11240	4.3
211.14786	17.8
212.15126	3.2
213.12729	5.6
213.16391	3.6
214.46786	2.4
215.14296	4.5
217.10019	2.5
217.15880	6.3
219.11707	4.3
220.12373	7.2
221.13245	13.3
221.15381	24.6
222.13829	2.8
223.14832	12.0
225.12708	5.9
225.16373	14.2
227.14240	5.4
229.15794	3.2
231.11656	5.6
231.13748	3.5
231.17377	3.6
232.12418	2.7
233.13220	5.9
233.15381	29.9
234.13905	4.3
234.15962	4.1
235.14743	11.5
237.16374	10.6
239.14285	5.1
239.17946	5.6
245.13245	4.4
246.14063	3.2
247.14761	5.5
247.16992	3.5
249.16402	8.8
251.17946	6.7
255.17371	3.2
257.13199	3.1
257.19131	3.5
259.14645	4.4
260.15494	2.7
261.16336	6.4
263.17517	4.3
265.19400	5.3
269.19025	6.0
271.20648	2.4
273.16046	4.9
273.18610	5.2
275.17920	6.9
277.19565	5.7
282.19629	2.9
283.20474	6.9
285.18536	3.9
287.19992	8.6
289.19324	3.6
291.20969	4.0
295.20615	2.6
301.21954	4.8
303.20856	3.1
307.20554	3.3
311.20242	2.9
313.21948	3.3
328.08899	2.5
331.24005	3.3
349.25381	3.3
361.25189	5.0
377.24762	4.5
491.35062	4.8
547.38568	2.8
565.40039	7.3
583.41833	13.0
601.42419	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.05501	8.0
57.07073	10.3
59.05003	3.2
67.05499	12.8
69.03440	9.5
69.07057	4.9
69.55709	9.8
69.56116	4.6
74.26041	1.6
79.05506	14.1
79.47523	1.6
81.07057	19.2
83.04982	3.1
83.08609	3.4
85.06545	5.3
85.07604	2.0
91.05477	24.2
93.07033	38.6
95.04966	11.3
95.08604	25.9
97.06545	2.5
99.35912	1.7
103.05458	2.2
103.20260	1.7
105.07028	47.9
106.09928	1.8
107.08588	20.5
108.08912	1.7
109.06519	10.2
109.10130	11.3
111.08076	3.4
112.89577	1.7
117.07037	8.5
119.08582	49.3
120.08875	3.8
121.06473	6.1
121.10147	25.5
123.08067	17.1
125.05991	5.4
128.06232	3.5
129.06985	6.0
130.07748	3.1
131.08568	18.3
133.10141	24.4
135.08047	15.2
135.11696	7.5
137.09619	14.2
141.07014	2.8
142.07782	8.5
143.08560	16.7
144.09308	3.7
145.10107	34.6
147.08044	30.6
147.11667	7.7
149.09583	6.7
151.07553	14.9
154.07869	2.0
155.08563	6.1
156.09357	6.7
157.10121	19.0
158.10689	2.0
159.08055	3.2
159.11673	20.3
161.09621	5.6
161.13257	6.6
163.11162	9.2
165.09096	50.4
167.08575	3.3
168.09290	2.1
169.10118	6.5
170.10869	3.4
171.11685	13.6
172.12340	1.9
173.09610	4.4
173.13243	7.2
175.11229	4.2
175.14891	4.3
179.08565	2.8
181.10144	5.5
181.12247	7.8
183.11656	7.8
185.13261	5.7
187.11205	3.9
187.14816	2.9
189.12683	3.8
191.14317	2.9
193.10153	2.7
193.12196	2.2
194.10796	2.2
195.11649	6.5
197.13298	7.5
199.11163	2.3
199.14743	3.6
203.14297	19.9
206.11005	2.0
207.11749	2.8
207.13794	6.1
209.13277	4.8
211.14842	4.3
213.12550	2.2
213.16403	2.4
221.13408	3.6
221.15346	100.0
222.15744	4.9
225.16371	3.8
233.15320	3.6
234.16190	2.9
235.14754	3.0
237.16258	2.9
247.16980	5.5
249.16420	2.2
285.18237	2.7
286.19128	2.9
287.20038	4.1
299.20065	2.4
300.20761	2.9
301.21567	2.8
311.20169	2.2
313.21744	2.3
326.21970	1.9
340.24091	2.4
367.26337	7.1
393.27591	3.5
428.82553	1.8
440.29211	2.6
441.29453	6.5
491.35202	10.0
509.36127	4.3
521.36029	8.2
582.29370	2.0
583.41376	14.2
601.42383	35.3
602.41968	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17900	1.5
53.03944	2.1
55.05511	5.1
57.07073	5.7
59.05009	3.0
60.90001	1.9
67.05489	9.5
68.67352	1.7
69.03416	8.4
69.07071	5.7
69.69307	12.2
79.05485	12.1
81.07064	17.1
83.05003	3.6
83.08594	3.0
85.06546	6.0
91.05469	19.0
93.07040	33.3
95.04954	7.6
95.08603	18.2
97.06499	3.1
105.07025	32.9
106.07381	3.6
107.08598	20.7
109.06520	5.5
109.10178	8.5
111.08089	2.5
115.05446	2.7
117.07050	6.8
119.08582	36.1
120.08892	3.8
121.06512	6.2
121.10155	16.3
123.08070	14.7
123.11706	2.7
125.06010	2.9
128.06242	2.9
129.06989	4.7
130.07809	2.6
131.08527	15.1
133.06500	2.5
133.10103	18.9
135.08040	11.0
135.11690	4.7
137.09595	10.5
142.07777	5.1
143.08560	11.7
144.09297	2.7
145.06569	2.1
145.10106	25.7
146.10512	3.0
147.08046	25.1
147.11684	5.6
149.09631	7.1
151.07559	11.7
153.06934	1.9
153.87190	1.8
155.08612	5.5
156.09341	4.9
157.10121	17.3
158.10741	3.8
159.08072	3.2
159.11688	15.6
161.09642	4.9
161.13272	6.1
163.11183	8.9
165.09117	44.3
166.09445	3.4
167.08600	2.0
169.10121	9.0
171.11699	12.5
173.09602	3.4
173.13235	7.2
174.44151	1.7
175.11195	5.5
175.14821	6.1
179.08493	2.2
180.09346	2.7
181.10211	2.1
181.12250	10.5
182.10915	3.0
182.12485	2.0
183.11734	7.3
184.12067	2.2
185.13266	7.9
187.11234	2.9
187.14783	4.5
189.12793	6.1
191.10739	2.3
191.14201	2.4
193.10219	3.0
193.12190	4.2
194.10916	2.9
195.11688	6.7
196.12436	2.8
197.13277	6.5
199.14915	3.1
201.12744	2.3
203.14322	16.7
204.14694	2.2
207.11678	4.8
207.13829	6.4
208.12332	2.0
208.14624	3.0
209.13239	6.8
209.15166	2.0
211.14780	3.5
215.14490	2.8
221.13376	4.4
221.15346	100.0
222.13829	2.3
222.15671	10.0
223.14789	2.5
234.16125	5.1
235.16792	2.6
237.16417	2.8
247.17020	5.9
248.17398	3.6
249.16331	2.4
269.18909	1.8
274.19250	2.5
277.16284	2.0
286.19434	2.4
286.37216	1.8
287.20010	6.3
299.20056	5.2
300.20493	3.8
301.21628	3.8
312.20547	1.9
313.21161	2.4
314.43591	1.7
325.21762	2.5
326.21960	3.4
326.59698	2.0
331.24545	2.0
340.23795	2.9
341.24405	2.3
352.23792	4.8
353.24335	5.5
367.26285	5.5
393.27762	2.3
420.29785	2.5
428.28809	2.5
440.29443	3.1
441.29666	9.9
491.35068	11.0
509.36118	6.3
521.35919	12.8
557.24255	1.9
583.41364	11.7
601.42310	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	18.7
57.07057	15.9
59.04973	7.0
66.95383	4.4
67.05495	30.5
69.03415	13.0
69.07051	17.6
69.48420	11.1
69.48830	33.6
73.80311	4.1
75.80426	4.0
79.05471	21.2
81.07048	44.1
83.04972	9.6
83.08579	8.8
85.06521	5.4
87.55797	4.3
91.05470	44.2
93.07040	54.8
95.04938	20.1
95.08613	31.5
97.06541	6.9
97.10111	4.7
98.20729	6.7
105.06377	6.3
105.07027	70.0
105.07684	8.6
107.08602	36.8
109.06500	18.2
109.10164	21.8
115.05332	5.2
117.07007	20.7
119.08591	69.4
121.06484	9.7
121.10153	26.8
123.08067	27.1
125.06014	6.9
128.06239	9.3
129.06976	19.8
130.07751	8.3
131.08586	32.9
133.10133	36.6
135.08029	15.3
135.11656	11.3
137.09604	13.2
141.07025	4.9
142.07785	15.7
143.08583	29.1
144.09317	8.8
145.06430	5.4
145.10107	57.2
147.08047	26.6
147.11684	18.5
149.09608	11.5
151.07527	17.8
154.07780	5.3
155.08501	16.2
156.09334	14.1
157.10144	41.4
158.10580	4.1
159.11673	34.6
160.08788	6.6
161.09555	10.8
161.13208	13.2
163.11194	7.0
165.06953	10.3
165.09094	47.8
167.08481	7.7
169.10095	21.2
171.11644	18.3
173.13232	10.7
175.11115	6.8
179.08514	8.7
181.10204	6.9
181.12163	9.4
182.10912	7.4
183.11644	19.9
185.13123	12.5
187.14807	7.6
189.12704	7.3
191.14394	4.3
193.10104	8.5
195.11670	16.7
196.12225	5.4
197.13245	16.3
203.14281	18.3
207.13719	6.1
209.13144	10.8
211.14792	11.0
221.13319	9.6
221.15329	100.0
222.15724	6.5
223.14766	8.6
226.73564	5.0
300.20511	5.9
353.24255	6.2
366.25745	5.7
491.35117	8.1
509.35989	5.7
521.35834	9.5
554.04132	5.1
562.05878	6.0
583.40894	11.4
601.42358	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	601.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90152	2.8
52.03791	2.7
55.05507	3.6
57.07063	5.2
63.86048	2.5
67.05489	7.9
69.03427	6.4
69.07046	4.4
70.83886	3.0
79.05472	10.2
81.07053	11.7
82.62811	2.9
83.04939	3.2
91.05467	17.2
93.07046	27.5
95.04961	6.8
95.08588	19.9
97.06540	4.3
97.84880	2.6
98.21503	6.1
105.07033	28.1
107.08607	16.7
109.06509	8.2
109.10134	9.7
117.06981	5.5
119.08582	30.3
121.06484	3.9
121.10125	18.3
123.08047	13.5
124.43964	2.8
128.06152	3.9
129.06982	8.6
131.08580	15.2
133.10133	18.0
135.08035	9.7
135.11702	6.8
137.09579	10.8
142.07825	6.7
143.08524	9.8
145.10100	22.1
147.08005	18.9
147.11671	9.3
149.09560	3.1
151.07533	9.4
155.08554	4.9
156.09270	4.1
157.10149	17.1
159.11731	13.1
161.09581	4.1
161.13257	2.8
163.11133	5.6
165.09103	38.4
166.07751	3.1
169.10097	9.2
171.11623	9.2
173.13248	6.1
175.11163	3.5
175.14819	6.8
181.10069	6.0
181.12173	4.8
182.10890	3.7
183.11667	9.6
185.13153	3.9
195.11629	5.8
197.13193	5.5
203.14301	14.7
207.11702	4.0
207.13791	5.0
209.13274	4.7
216.34375	3.0
219.13733	3.5
221.13409	4.2
221.15337	100.0
222.15714	5.4
223.14743	5.4
247.16753	3.7
287.19928	4.1
293.18768	3.3
352.23755	4.0
353.24319	7.5
491.34888	6.7
509.36099	4.6
521.35889	19.7
583.41174	10.9
601.42566	29.7
619.61176	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	601.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78638	2.0
53.03937	2.2
53.86063	2.0
55.05505	13.5
57.03431	2.5
57.07066	4.0
67.05502	26.2
69.03419	4.8
69.07062	28.6
71.01346	3.6
71.64035	2.5
73.02904	6.4
77.65301	1.8
79.05489	13.3
81.07051	43.2
83.08604	13.9
85.02893	18.4
91.05458	16.0
93.07027	36.5
95.01331	6.1
95.04963	5.0
95.08598	100.0
97.02868	3.3
97.10162	6.3
98.39714	1.8
105.07015	33.3
107.08585	58.8
109.10148	74.9
111.08096	2.1
111.11677	5.3
113.02335	5.1
117.07005	6.5
119.07932	1.0
119.08569	50.6
121.10133	55.5
123.08080	2.7
123.11681	28.0
129.06906	2.8
131.03383	5.7
131.08548	11.6
133.10123	47.9
133.74522	1.7
134.98589	2.1
135.11681	43.8
137.13278	9.2
141.01830	15.2
143.08574	3.3
145.10112	16.2
147.11674	38.6
149.13239	23.5
151.14874	3.5
157.10139	5.1
159.11687	22.2
161.13248	41.5
163.14812	25.7
171.11684	4.9
173.13214	15.2
175.14813	24.5
177.16374	32.4
178.16699	2.0
179.17847	4.2
185.13300	2.3
187.14786	19.4
189.16365	78.8
191.17935	59.7
199.14810	3.0
201.16373	22.5
203.17947	39.6
203.19722	3.2
205.19516	18.4
207.17424	4.7
213.16370	3.8
215.17928	19.0
217.19501	39.8
219.21011	3.0
221.18925	2.5
227.17863	4.0
229.19464	18.9
231.21057	8.2
241.19582	2.8
243.21088	9.0
245.22662	9.3
255.21078	6.4
257.22626	14.3
269.22632	7.0
271.24194	9.1
283.24200	3.3
297.25803	12.1
365.31937	3.9
383.20435	3.4
407.36670	60.1
407.42084	2.9
425.37689	9.1
601.41479	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	601.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01863	1.2
55.05513	6.5
57.03441	3.2
57.07069	2.8
59.04982	0.7
61.02910	2.3
65.03945	0.7
67.05502	11.9
68.99783	0.7
69.03080	0.8
69.03429	8.0
69.07061	11.8
69.07410	1.2
70.06596	3.1
71.01335	2.2
71.04985	1.8
71.08617	0.9
72.08147	0.9
73.02908	3.8
79.05493	6.6
81.03419	4.7
81.07051	20.0
83.01318	1.1
83.04980	1.0
83.08608	5.6
85.02898	21.6
87.04459	1.0
88.07613	2.1
91.03928	0.7
91.05464	7.7
93.07039	13.7
95.01323	2.8
95.04939	1.5
95.08602	44.4
96.08951	0.6
97.02878	6.5
97.10173	3.8
98.21451	1.1
99.00793	1.1
99.04441	1.7
101.02395	0.8
102.09169	1.3
103.03939	1.7
105.07024	16.6
107.04932	0.8
107.08588	25.1
109.02853	3.3
109.06520	2.0
109.10149	34.0
111.11737	2.9
113.02364	3.1
115.03923	0.7
117.07021	2.4
118.83750	0.7
119.08575	21.9
121.06475	1.0
121.10135	22.7
123.04428	5.4
123.11698	12.5
125.09617	0.9
125.28907	0.7
127.03907	4.8
129.07019	0.9
131.03398	2.5
131.08568	4.7
133.10123	22.4
134.03603	2.0
135.08025	1.1
135.11682	17.8
137.05978	0.8
137.09598	1.9
137.13231	4.4
141.01810	4.3
142.91245	0.6
143.08543	1.8
145.04961	1.2
145.06447	0.9
145.10121	7.6
147.04417	2.9
147.11668	15.5
149.02309	3.7
149.13242	11.0
151.07536	0.8
151.11116	1.2
151.14803	1.5
153.05487	0.8
157.10194	1.2
159.02881	1.2
159.11673	8.4
161.13251	14.7
162.85320	0.7
163.03925	0.8
163.14815	10.9
167.07042	2.5
171.11703	1.8
173.13271	5.1
175.14810	11.2
177.16379	12.0
179.17970	1.6
185.13210	1.2
187.07605	0.8
187.14816	9.3
189.05475	1.0
189.16371	33.7
190.16820	0.7
191.14272	1.2
191.17938	25.3
193.04897	4.7
199.14861	1.4
200.20129	5.0
201.16379	9.1
203.17955	16.1
205.19501	7.6
207.17421	2.0
209.15393	0.8
213.05444	1.2
213.16344	0.7
215.17924	7.8
217.19507	16.0
219.21098	2.1
221.18948	0.7
227.18019	1.8
229.19476	8.1
231.21053	4.5
237.07512	0.8
241.19615	1.0
243.20995	3.3
245.09659	1.0
245.22615	4.3
255.21002	2.4
257.22549	4.2
259.24146	0.9
262.09741	0.9
269.22620	2.0
271.24152	5.7
277.08957	0.7
283.24301	0.9
285.25720	1.2
289.08731	1.0
290.09296	1.2
297.07553	2.3
297.25769	3.6
299.12875	1.0
301.08557	0.8
307.09668	1.0
309.03885	1.2
310.04700	3.0
311.05518	7.5
311.27634	0.7
313.07196	1.0
318.08957	2.6
321.07526	1.1
322.08203	1.0
325.07010	9.0
327.04941	0.7
329.08041	1.1
333.10913	3.8
335.09073	1.2
336.10086	1.2
337.06970	2.3
337.10733	1.9
337.29068	1.0
339.08768	1.2
341.06885	1.0
346.08337	7.9
347.09012	2.4
351.08655	1.2
353.10150	14.0
353.13992	2.6
354.10339	1.3
361.10715	19.2
362.11115	1.7
364.09433	10.1
365.10254	4.0
365.31958	1.6
367.11700	2.3
377.10266	1.5
379.11737	53.1
380.12161	4.9
383.20621	1.6
385.08994	1.8
391.11810	1.2
393.13455	4.9
403.15488	2.9
406.14145	2.4
407.36685	24.6
421.16473	32.9
422.16718	2.7
425.37750	4.2
429.11734	1.9
439.17508	100.0
440.17896	11.5
473.11148	1.4
545.16620	8.0
546.16650	1.2
551.34027	1.3
583.21338	2.1
600.69385	0.8
601.23383	3.7
601.42188	4.5
602.29767	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	601.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05497	5.8
57.03442	1.6
57.07067	3.0
59.63940	1.0
67.05495	12.3
69.03426	3.8
69.07070	12.8
69.97829	5.4
69.98400	0.9
73.02906	3.7
79.05484	6.6
81.03405	2.9
81.07053	21.8
83.08608	7.2
85.02897	13.5
88.44144	1.1
91.05479	8.2
93.07036	15.1
95.01323	4.0
95.04949	2.1
95.08602	50.0
97.02896	3.7
97.06525	1.4
97.10216	2.3
98.20689	1.0
103.03941	1.6
104.63183	0.9
105.07025	16.1
106.89689	1.0
107.08585	27.5
109.02879	2.8
109.06506	1.5
109.10146	36.8
111.11728	3.5
113.02381	2.8
117.06998	2.4
119.08575	24.4
121.06555	1.4
121.10133	25.5
123.04414	3.3
123.08022	1.6
123.11697	12.1
127.03906	2.5
131.03391	2.6
131.08557	3.8
133.10121	24.3
135.04419	1.3
135.08057	1.6
135.11685	19.9
135.12694	1.4
137.02406	1.9
137.09647	3.0
137.13239	3.6
139.03905	2.4
141.01788	5.8
143.08594	1.1
145.10104	8.9
147.04315	1.5
147.11674	15.2
149.13245	10.5
157.10104	1.5
159.04370	1.2
159.11693	8.2
161.13258	15.4
163.03893	1.6
163.14819	11.5
167.07025	2.2
171.11745	2.6
173.13258	8.6
175.14845	14.1
177.16364	13.4
179.17873	1.8
185.13219	1.1
187.07538	1.2
187.14821	8.5
189.09064	1.2
189.16370	32.5
191.14311	2.4
191.17929	27.8
191.19586	2.0
195.02870	4.5
201.16383	10.2
203.17960	18.6
205.19467	10.7
207.17433	2.5
209.15375	1.1
213.05493	2.8
213.16417	1.6
215.17900	8.0
217.19519	19.2
219.21022	2.1
229.19591	6.5
229.21512	1.1
231.21072	4.2
241.19482	1.8
243.21077	4.6
245.22639	3.8
255.06499	1.5
255.21001	2.3
257.22681	6.8
269.22617	2.6
271.24316	5.3
283.06070	1.5
297.25790	5.8
299.05661	1.4
310.04681	2.8
311.05481	100.0
312.05823	7.9
313.06714	1.1
325.07111	15.1
326.07327	1.7
337.07159	1.2
347.09137	3.5
349.06665	1.7
351.08633	1.1
353.10080	5.1
353.13858	13.0
365.10135	12.6
365.31964	2.2
365.67020	1.2
366.10434	1.4
383.11227	19.8
383.20453	1.3
384.11600	1.6
393.13208	1.3
394.45258	1.1
407.31552	2.2
407.36713	29.3
421.16522	2.0
425.37659	4.2
439.17200	6.6
473.10678	3.1
515.19318	1.7
545.16504	63.6
546.16888	9.0
583.20953	1.5
601.22906	23.2
601.40741	4.8
602.22845	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	601.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01877	2.0
55.05504	10.5
55.06529	1.3
57.03422	3.4
57.07067	3.5
65.03911	1.8
67.05494	21.0
68.99782	2.3
69.03431	10.4
69.06766	1.6
69.07066	17.0
69.57729	4.2
69.58147	7.6
69.66366	1.3
71.01349	3.0
71.04997	2.6
73.02900	5.4
79.05492	11.8
81.03395	6.6
81.07048	30.9
83.04939	1.4
83.08606	11.6
85.02898	29.2
87.00809	4.2
91.05476	9.9
93.07038	25.5
95.01315	4.2
95.04977	7.0
95.08601	75.1
96.08920	1.5
97.02869	5.8
97.10158	5.5
99.04434	3.4
105.01823	2.1
105.07019	23.6
107.04933	1.8
107.08591	39.0
109.02859	5.1
109.06500	2.1
109.10152	64.6
109.10917	3.0
111.08047	1.7
111.11687	3.9
113.02352	4.1
117.06995	5.7
119.08569	45.4
121.09312	2.2
121.10134	37.4
123.04423	87.1
123.08021	2.6
123.11716	23.0
125.09598	1.6
127.03928	9.8
129.05418	1.9
131.03392	4.1
131.08534	9.9
133.10120	36.1
135.04440	2.5
135.11693	31.6
137.09564	1.7
137.13277	8.1
141.01820	9.9
143.08525	6.4
145.04985	2.8
145.06406	1.8
145.10112	14.8
147.04384	14.2
147.11656	29.6
149.13252	21.6
151.11188	1.5
153.05400	3.0
154.59427	1.5
157.10149	2.9
159.02861	2.8
159.08087	3.2
159.11690	13.5
161.05888	1.4
161.13266	30.3
163.03937	4.9
163.14827	18.4
164.04634	1.5
167.07021	6.5
171.08041	2.5
171.11673	2.5
173.13268	11.2
174.06699	1.9
175.14822	19.4
177.16379	25.3
179.17908	3.1
185.13278	2.2
186.06853	2.0
187.07545	5.3
187.14806	16.4
189.05472	3.0
189.09097	14.0
189.16360	58.8
191.10612	1.4
191.14316	2.1
191.17938	46.9
195.02866	1.8
199.07491	2.4
199.14911	1.7
200.20105	2.0
201.09157	4.2
201.16368	19.4
203.17929	36.1
205.19554	10.1
207.10080	2.3
207.17371	4.5
213.05537	1.8
213.16394	2.4
215.17960	17.1
217.19476	34.4
219.10150	100.0
219.21014	5.5
220.10400	5.3
227.17929	2.5
229.08560	3.0
229.19527	13.9
231.10197	4.8
231.21059	9.3
241.19646	2.8
243.21100	8.2
245.22600	5.5
255.21141	3.8
257.22614	8.9
269.22617	4.0
271.24216	5.4
279.10599	2.0
279.14215	1.7
285.25772	2.9
297.25613	8.7
307.09564	2.1
311.05450	4.9
313.06808	2.1
323.05463	2.0
323.09064	2.1
325.07111	4.2
338.07733	3.5
348.08646	1.8
353.10049	29.8
353.13843	44.1
354.10376	3.7
354.14224	3.5
354.43289	1.6
365.10065	3.6
365.19412	2.0
365.31900	4.1
378.65778	1.8
379.11957	2.1
381.12289	2.4
383.20557	3.8
407.31555	3.0
407.36694	48.4
419.15036	2.8
420.15112	3.9
421.15628	11.4
425.38074	8.7
439.17169	11.2
545.17010	8.9
583.20764	20.3
601.20447	8.7
601.41187	9.6
602.20428	2.4
602.29694	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	601.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.6
57.03413	2.5
57.07074	3.6
64.12022	1.5
65.74593	1.5
66.28163	1.8
67.05501	25.5
69.07062	25.1
70.88372	2.0
70.88682	3.2
71.01343	5.8
73.02912	5.6
79.05481	11.8
81.07050	42.9
82.45242	1.8
83.08607	15.1
83.24889	1.6
85.02898	17.5
91.05463	14.9
93.07033	30.8
95.01321	10.1
95.04964	2.6
95.08600	100.0
97.10162	8.2
99.00800	2.3
103.03972	1.8
105.07019	33.2
107.08588	58.1
109.06528	1.9
109.10146	86.4
111.08087	2.2
111.11744	7.2
113.02374	10.0
113.34543	1.7
117.07045	3.9
119.08567	54.6
121.10130	48.0
121.11010	2.4
123.11702	30.9
131.03392	3.8
131.08551	9.2
133.10121	41.6
135.11685	43.5
137.13254	9.9
141.01814	14.4
143.08574	3.8
145.10123	18.6
147.10628	2.9
147.11684	34.4
149.13235	27.1
151.11177	1.6
151.14728	1.7
157.10199	3.1
159.02892	4.8
159.11674	22.2
159.12881	2.6
161.13234	37.1
162.00116	1.6
163.14816	23.9
171.11623	3.4
173.13275	13.7
175.14821	29.9
177.16368	33.2
179.14345	2.6
179.17937	4.6
185.13272	2.9
186.66808	2.1
187.14784	17.8
189.16371	74.1
191.17940	55.1
198.30519	1.6
199.14723	4.2
201.16379	19.8
203.17950	42.0
205.19481	18.9
207.17480	5.9
213.16449	5.2
215.17920	20.3
217.19498	35.4
219.21083	7.8
227.17940	3.1
229.19505	18.5
231.21062	9.1
241.19626	2.8
243.21046	9.2
245.22630	8.1
255.21054	3.6
257.22559	8.6
269.22751	5.3
271.24185	11.5
283.24146	4.5
297.25681	13.1
311.27255	2.4
365.31863	4.2
383.20563	2.5
407.36710	60.7
425.37592	9.8
505.30972	1.6
511.55753	1.9
557.78210	2.0
601.40894	8.0
628.38702	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01862	1.0
55.05502	8.8
57.03428	3.2
57.07055	2.8
59.87607	0.8
61.02895	1.4
67.05500	15.4
69.03405	4.7
69.07060	16.3
71.01353	2.2
71.04992	2.2
71.08643	1.1
71.14203	1.4
71.14513	1.4
72.01112	0.8
73.02909	5.7
75.79929	0.8
76.03555	0.8
79.05484	9.0
81.03410	1.9
81.07051	23.7
81.65790	0.9
83.04985	3.0
83.08614	8.2
85.02900	19.2
91.05465	8.2
93.07038	20.1
95.01337	3.8
95.04955	1.7
95.08598	63.9
97.02898	4.2
97.10153	3.9
99.08108	0.9
101.02387	1.4
103.03958	1.2
105.07018	23.1
107.08590	33.0
108.08897	0.9
109.02876	3.6
109.10147	45.1
111.04482	1.5
111.08144	1.7
111.11723	3.4
113.02373	4.9
117.06974	2.1
119.08575	31.6
121.10128	29.6
123.04425	1.9
123.08123	1.5
123.11699	18.1
127.03925	1.2
129.06900	1.0
131.03412	2.7
131.08554	5.7
133.10115	29.7
135.04402	1.2
135.08015	1.2
135.11684	25.8
137.13226	5.6
141.01814	7.2
143.08575	2.1
145.10126	9.3
147.11671	22.0
149.13246	11.3
157.10106	1.6
158.10831	1.2
159.02864	1.8
159.11684	9.4
161.13257	21.7
163.14839	11.9
165.12755	1.0
167.07060	1.3
171.11673	2.0
173.13243	8.2
175.14825	15.3
177.16385	14.3
179.17996	2.0
185.13315	1.4
187.14795	11.0
189.16371	40.6
191.17921	33.8
195.02876	4.1
199.14883	2.3
201.16357	12.1
203.17943	26.5
205.19504	7.8
207.17407	2.1
213.05444	2.7
213.16385	1.3
215.17993	9.0
217.19498	22.6
219.21129	3.3
227.17909	1.8
229.19518	7.4
231.06526	2.3
231.21146	4.2
241.19548	1.6
242.11488	1.0
243.20996	5.0
245.22614	4.4
249.07578	1.8
255.21144	3.2
257.22626	8.1
269.22604	2.2
271.24124	4.8
283.06128	1.2
283.24127	1.6
293.04431	1.7
295.05841	1.5
297.25797	3.8
299.05478	10.4
311.05478	100.0
312.05811	8.1
313.06992	1.2
319.09683	1.9
323.05432	1.8
325.07022	1.9
347.09204	9.6
353.10208	3.5
365.10217	16.0
365.31943	2.7
366.10571	2.4
383.11221	53.1
384.11584	5.5
407.36746	27.3
421.16382	3.0
425.37360	5.1
439.17441	9.4
440.17654	2.1
473.10944	1.5
545.16510	57.7
546.16919	6.5
583.21875	1.4
601.22876	19.6
601.41132	5.2
602.23169	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	601.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05503	16.1
57.03423	2.9
57.07062	4.5
63.71766	1.9
67.05498	26.2
69.03419	3.2
69.07059	28.4
69.63459	1.2
69.63762	13.0
71.01345	3.2
73.02912	6.9
79.05080	2.2
79.05489	14.2
81.07048	45.1
83.08625	11.8
85.02899	20.4
91.05469	14.2
93.07035	32.6
95.01311	9.1
95.04963	4.3
95.08599	100.0
97.02921	2.6
97.06477	1.7
97.10175	9.0
98.21622	2.0
105.07018	38.2
107.08586	58.4
109.06505	3.9
109.10145	73.7
111.11736	9.0
112.44028	1.5
113.02357	6.4
117.07027	3.8
119.08566	48.2
121.06532	1.6
121.10135	53.2
123.08036	2.2
123.11693	30.6
129.06956	1.7
131.03368	6.2
131.08563	6.8
133.05206	1.7
133.10118	48.4
135.11685	45.7
137.09586	1.7
137.13240	10.7
141.01797	15.9
142.64003	1.7
143.08606	2.5
144.09364	1.6
145.10097	16.3
147.11665	33.8
149.13255	21.0
151.14717	2.3
157.10150	5.0
159.11670	19.2
160.12177	1.5
161.13229	36.6
163.14799	23.5
165.09167	2.3
165.16365	1.7
171.11690	4.1
173.13258	10.8
175.14813	26.1
177.16368	25.9
185.13205	2.6
187.14824	19.1
189.16370	73.8
191.14314	2.4
191.17937	58.6
199.14813	2.9
201.16380	21.0
203.17921	42.5
203.19716	2.6
205.19469	16.6
207.17366	7.8
213.16360	4.8
215.17931	17.8
217.19490	41.4
219.21066	3.8
227.17902	3.1
229.19460	16.0
229.21465	1.8
231.21135	9.2
233.15443	1.6
241.19444	3.0
243.20943	9.2
245.22694	7.6
255.20949	3.7
257.22598	13.2
269.22626	6.0
271.24164	10.4
283.24127	5.2
285.25735	3.2
297.25726	10.0
337.28934	3.3
365.32007	4.0
383.20413	4.7
407.36673	64.3
408.36987	1.8
425.37772	8.5
509.35333	2.5
601.41235	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05507	13.4
57.03421	3.1
57.07064	5.7
57.52538	1.1
58.38229	1.3
67.05499	25.1
69.03392	1.2
69.07060	25.7
69.35535	2.5
69.35934	11.6
71.01351	3.0
73.02921	7.1
74.42944	0.9
75.04465	1.4
76.13069	0.9
79.05482	10.3
81.03409	1.2
81.07048	46.8
83.08602	14.6
85.02895	18.7
91.05470	13.5
93.07035	32.7
93.07616	1.8
95.01309	7.5
95.04954	3.1
95.08598	100.0
97.02903	1.3
97.10159	7.8
98.20747	1.9
99.00784	1.9
103.03934	1.4
105.07014	39.3
107.08582	60.3
109.10143	73.3
111.11689	6.5
113.02361	9.3
113.54262	1.1
117.07014	3.6
119.08568	57.5
121.10129	54.8
121.80086	1.0
123.07999	1.2
123.11694	31.0
129.06932	1.4
131.03403	5.1
131.08557	8.6
133.10117	45.7
135.11679	41.8
137.13228	7.9
141.01801	10.5
143.08537	2.6
145.10115	19.1
147.11668	40.4
149.13232	24.0
151.11197	1.2
151.14842	2.9
157.10153	3.4
159.02869	2.9
159.11671	20.0
160.12477	2.4
161.13239	38.2
163.14806	23.4
163.16098	2.2
171.11670	3.8
172.12531	1.3
173.13252	12.9
175.14810	25.7
175.16257	1.9
177.16357	31.5
179.17979	4.6
185.13217	3.5
187.14801	20.1
189.16362	73.4
190.16708	1.5
191.17928	56.2
192.18352	1.3
199.14839	2.9
201.16357	24.6
202.16774	1.2
203.17935	39.8
205.19510	21.3
207.17419	5.0
213.16428	3.9
215.17937	19.7
217.19498	37.1
217.21576	2.3
218.19775	1.3
219.21080	5.5
221.18956	2.1
227.17793	2.9
229.19510	19.2
231.21071	8.9
241.19487	3.9
243.21030	9.2
245.22578	6.7
255.21036	4.6
257.22565	10.1
259.24265	2.2
269.22665	5.6
271.24179	12.2
281.61179	1.2
283.24060	3.9
285.25815	2.5
297.25787	14.2
311.05536	1.6
311.27319	1.8
315.26880	2.2
337.28876	2.7
347.09207	3.8
348.09711	1.1
353.10452	1.7
365.10150	6.9
365.31891	4.8
383.20605	3.1
407.36700	60.6
408.37122	2.2
421.16162	1.6
425.37665	9.1
483.34897	1.3
500.08337	1.2
527.15448	2.4
583.21527	4.2
601.41351	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	601.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01867	6.2
55.05509	8.4
57.03430	20.0
57.07067	2.3
57.41568	2.4
59.04983	5.5
61.02916	5.8
65.03932	2.3
67.05499	14.0
69.03426	68.8
69.07055	8.2
70.06609	9.2
71.01344	1.8
71.04974	5.8
71.61559	3.4
72.08158	15.4
73.02909	13.4
75.04479	3.4
79.05489	13.8
81.03417	17.7
81.07053	17.4
82.06536	2.1
83.04972	9.1
83.08599	4.6
84.08140	6.6
85.02898	67.8
86.09695	4.6
87.04463	26.1
91.05466	19.7
93.07047	21.6
95.04969	14.1
95.08600	43.2
97.02885	57.3
97.06533	6.2
99.04426	6.5
102.27815	1.8
103.03973	2.4
103.05470	1.9
105.07020	29.6
107.04939	7.5
107.08589	19.1
107.15160	2.0
109.02897	13.7
109.06518	19.0
109.10160	13.5
110.06033	4.4
111.04436	7.5
111.08041	3.3
112.07609	2.9
115.03926	33.0
115.05448	2.5
115.08706	2.4
117.07003	7.3
119.04935	3.0
119.08575	25.7
119.99126	1.9
121.02808	2.3
121.06507	10.0
121.10137	52.8
123.04417	5.1
123.08072	24.3
123.11694	5.7
125.05981	3.2
125.09611	3.0
127.03909	19.0
128.06165	3.0
129.05490	3.6
129.06985	7.2
131.08549	13.9
133.04956	22.2
133.06485	10.4
133.10115	19.2
134.04500	2.5
135.04410	2.3
135.08051	12.3
135.11678	15.4
136.06195	14.9
136.07518	9.5
137.05884	4.9
137.09593	4.2
138.05492	10.5
139.11145	5.6
141.06978	5.3
142.07765	5.0
143.08542	10.1
145.04922	6.8
145.06441	4.9
145.10123	21.2
146.07253	2.6
147.04427	12.3
147.08018	9.8
147.11664	11.6
148.04756	2.0
149.05965	8.7
149.09570	10.3
151.03813	3.1
151.07523	17.9
152.07043	4.4
155.07001	5.4
155.08527	7.5
156.09328	2.5
157.10077	14.1
159.08060	18.2
159.11697	19.6
160.08838	2.7
161.06009	3.0
161.09572	9.9
161.13286	3.2
163.03880	6.0
163.07582	6.1
163.11137	3.3
164.07022	5.6
165.07016	2.8
165.09138	3.8
167.07086	15.2
167.08406	3.3
168.09358	2.6
169.08553	5.9
169.10094	13.5
170.10822	2.4
171.08008	13.4
171.11676	8.7
172.08829	5.3
173.05908	2.3
173.09618	17.2
173.13251	12.6
175.07457	3.0
175.11157	3.5
175.14841	7.5
177.05470	3.5
177.09067	6.0
178.04994	5.3
179.07010	2.0
179.08530	7.0
181.08624	2.3
181.10141	2.8
182.11003	3.2
183.11624	10.0
185.09579	11.7
185.13249	6.7
186.10324	2.4
187.07556	3.2
187.11174	19.5
187.14839	7.4
189.09109	5.2
189.12811	2.6
191.10670	5.3
191.14333	5.7
193.10110	3.6
193.12216	2.8
195.10127	6.2
195.11726	4.2
196.12480	3.8
197.09602	23.9
197.13277	6.5
199.11156	3.9
199.14838	4.9
201.09111	3.3
201.12837	4.3
203.10619	5.3
203.14227	9.3
205.08524	3.2
205.12061	2.6
206.04480	11.0
207.13535	2.0
209.11708	6.6
209.13333	4.6
209.15190	2.1
210.14035	4.8
211.11197	13.8
211.14789	6.5
212.11955	3.5
213.08746	3.1
213.12828	6.2
215.07205	3.5
215.10657	61.8
215.14050	3.1
220.12457	3.2
225.12781	4.2
225.16383	12.6
227.14284	18.4
229.12259	4.7
229.15837	7.0
231.13712	5.5
233.11705	15.8
233.93965	2.0
234.07545	1.9
235.14809	8.6
238.13460	2.4
241.15913	5.5
243.17358	9.9
245.15395	7.4
253.15866	60.4
254.16161	2.3
261.18588	2.5
267.07730	3.3
271.16916	100.0
272.17258	2.7
289.17966	93.8
290.18094	2.6
295.17105	2.1
307.19055	36.8
313.08304	3.0
313.18002	4.1
331.19116	9.1
349.20020	8.2
349.23898	1.9
385.20273	4.8
391.21423	2.7
403.21106	7.9
421.22141	6.4
433.21948	2.6
439.23346	3.2
469.23856	3.1
583.22430	3.7
601.24170	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	601.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
55.01867	6.2
55.05509	8.4
57.03430	20.0
57.07067	2.3
57.41568	2.4
59.04983	5.5
61.02916	5.8
65.03932	2.3
67.05499	14.0
69.03426	68.8
69.07055	8.2
70.06609	9.2
71.01344	1.8
71.04974	5.8
71.61559	3.4
72.08158	15.4
73.02909	13.4
75.04479	3.4
79.05489	13.8
81.03417	17.7
81.07053	17.4
82.06536	2.1
83.04972	9.1
83.08599	4.6
84.08140	6.6
85.02898	67.8
86.09695	4.6
87.04463	26.1
91.05466	19.7
93.07047	21.6
95.04969	14.1
95.08600	43.2
97.02885	57.3
97.06533	6.2
99.04426	6.5
102.27815	1.8
103.03973	2.4
103.05470	1.9
105.07020	29.6
107.04939	7.5
107.08589	19.1
107.15160	2.0
109.02897	13.7
109.06518	19.0
109.10160	13.5
110.06033	4.4
111.04436	7.5
111.08041	3.3
112.07609	2.9
115.03926	33.0
115.05448	2.5
115.08706	2.4
117.07003	7.3
119.04935	3.0
119.08575	25.7
119.99126	1.9
121.02808	2.3
121.06507	10.0
121.10137	52.8
123.04417	5.1
123.08072	24.3
123.11694	5.7
125.05981	3.2
125.09611	3.0
127.03909	19.0
128.06165	3.0
129.05490	3.6
129.06985	7.2
131.08549	13.9
133.04956	22.2
133.06485	10.4
133.10115	19.2
134.04500	2.5
135.04410	2.3
135.08051	12.3
135.11678	15.4
136.06195	14.9
136.07518	9.5
137.05884	4.9
137.09593	4.2
138.05492	10.5
139.11145	5.6
141.06978	5.3
142.07765	5.0
143.08542	10.1
145.04922	6.8
145.06441	4.9
145.10123	21.2
146.07253	2.6
147.04427	12.3
147.08018	9.8
147.11664	11.6
148.04756	2.0
149.05965	8.7
149.09570	10.3
151.03813	3.1
151.07523	17.9
152.07043	4.4
155.07001	5.4
155.08527	7.5
156.09328	2.5
157.10077	14.1
159.08060	18.2
159.11697	19.6
160.08838	2.7
161.06009	3.0
161.09572	9.9
161.13286	3.2
163.03880	6.0
163.07582	6.1
163.11137	3.3
164.07022	5.6
165.07016	2.8
165.09138	3.8
167.07086	15.2
167.08406	3.3
168.09358	2.6
169.08553	5.9
169.10094	13.5
170.10822	2.4
171.08008	13.4
171.11676	8.7
172.08829	5.3
173.05908	2.3
173.09618	17.2
173.13251	12.6
175.07457	3.0
175.11157	3.5
175.14841	7.5
177.05470	3.5
177.09067	6.0
178.04994	5.3
179.07010	2.0
179.08530	7.0
181.08624	2.3
181.10141	2.8
182.11003	3.2
183.11624	10.0
185.09579	11.7
185.13249	6.7
186.10324	2.4
187.07556	3.2
187.11174	19.5
187.14839	7.4
189.09109	5.2
189.12811	2.6
191.10670	5.3
191.14333	5.7
193.10110	3.6
193.12216	2.8
195.10127	6.2
195.11726	4.2
196.12480	3.8
197.09602	23.9
197.13277	6.5
199.11156	3.9
199.14838	4.9
201.09111	3.3
201.12837	4.3
203.10619	5.3
203.14227	9.3
205.08524	3.2
205.12061	2.6
206.04480	11.0
207.13535	2.0
209.11708	6.6
209.13333	4.6
209.15190	2.1
210.14035	4.8
211.11197	13.8
211.14789	6.5
212.11955	3.5
213.08746	3.1
213.12828	6.2
215.07205	3.5
215.10657	61.8
215.14050	3.1
220.12457	3.2
225.12781	4.2
225.16383	12.6
227.14284	18.4
229.12259	4.7
229.15837	7.0
231.13712	5.5
233.11705	15.8
233.93965	2.0
234.07545	1.9
235.14809	8.6
238.13460	2.4
241.15913	5.5
243.17358	9.9
245.15395	7.4
253.15866	60.4
254.16161	2.3
261.18588	2.5
267.07730	3.3
271.16916	100.0
272.17258	2.7
289.17966	93.8
290.18094	2.6
295.17105	2.1
307.19055	36.8
313.08304	3.0
313.18002	4.1
331.19116	9.1
349.20020	8.2
349.23898	1.9
385.20273	4.8
391.21423	2.7
403.21106	7.9
421.22141	6.4
433.21948	2.6
439.23346	3.2
469.23856	3.1
583.22430	3.7
601.24170	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	601.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37619	0.2
53.03904	0.4
55.05459	0.4
57.03376	0.8
61.02871	1.0
61.58059	0.2
67.05453	0.3
67.05794	0.2
69.03426	3.6
69.07015	0.3
69.51428	2.0
71.04963	0.5
73.02846	0.9
79.05434	0.3
81.03415	1.8
81.06995	0.7
84.93866	0.2
85.02901	7.5
87.04384	0.6
90.10339	0.2
91.03886	0.3
91.05421	0.3
93.06976	0.5
95.04905	0.3
95.08534	0.8
97.02894	2.2
99.04388	0.8
101.02351	0.2
103.05422	0.3
105.06956	0.6
107.08519	0.7
109.02888	1.0
109.10081	0.7
116.02007	0.2
117.06947	0.4
118.25767	0.2
119.04900	0.3
119.08516	0.7
121.10062	0.5
122.03550	0.3
123.04340	0.6
123.11660	0.2
127.03897	1.8
129.06934	1.0
131.04852	0.7
131.08495	1.0
133.02788	0.6
133.10078	0.8
134.03600	0.3
135.04410	0.4
137.05894	1.0
143.08516	0.3
145.04869	0.7
145.06323	0.3
147.04385	0.5
147.11588	0.3
148.05113	0.3
150.03088	0.4
151.03839	0.8
152.04575	0.7
157.06424	0.5
159.04393	5.7
159.07968	0.9
159.11626	0.4
161.13127	0.2
163.03896	0.3
163.14693	0.3
165.05463	2.1
167.06950	0.5
169.06398	0.3
170.49721	0.2
170.51523	0.2
171.04388	0.5
171.07964	0.4
171.11665	0.2
173.13171	0.3
175.07538	0.3
179.78682	0.3
185.05905	1.0
186.06703	0.5
187.07542	5.5
189.04112	0.2
189.05479	2.1
189.16391	0.4
201.05438	0.3
203.07014	0.3
203.17894	0.4
207.02884	0.4
213.05452	22.7
214.05992	0.4
215.06963	0.5
217.19563	0.4
231.06477	1.1
280.10721	0.2
289.08432	0.6
290.09402	0.4
293.08054	0.3
295.05914	0.8
298.04877	0.3
306.07938	0.2
307.05939	0.9
307.09644	0.7
310.04657	1.3
311.05438	0.5
313.06866	0.3
317.07941	0.2
318.08917	1.7
319.09628	0.6
321.07547	0.8
322.04865	0.4
322.08319	0.5
324.06229	0.4
325.07040	3.2
333.11145	0.8
335.09033	0.6
336.06305	0.7
336.09885	1.3
337.07315	1.2
337.10358	1.2
339.08890	0.3
345.07510	0.3
346.08334	10.6
347.09094	0.8
349.06897	1.0
349.10645	0.5
350.51794	0.3
351.08557	0.9
351.12344	0.4
353.09882	0.4
360.09964	0.3
361.10657	14.7
362.07230	0.3
363.08450	1.5
363.12314	3.8
364.09387	15.5
365.10062	0.7
369.09708	0.3
377.10233	0.6
379.11734	100.0
380.12161	1.7
393.13458	0.6
397.12888	0.3
403.11572	0.5
406.14185	0.3
407.36612	0.4
421.16470	56.4
422.16904	0.9
437.16312	0.4
439.17484	37.5
440.17749	0.5
449.21124	0.2
457.97000	0.3
541.16992	13.1
545.16364	1.2
583.21722	18.0
600.81061	0.2
601.22766	14.5
602.22955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44124	0.4
53.03933	1.0
55.01868	1.1
55.05500	1.3
57.03424	1.5
59.04977	0.9
61.02916	2.2
65.03930	0.8
67.05491	2.1
68.99782	0.9
69.03419	8.6
69.07047	2.4
71.04977	0.9
71.61842	1.0
73.02907	1.1
78.80815	0.4
79.05473	1.9
81.03414	4.0
81.07030	4.1
83.04942	0.8
83.08595	0.8
84.08167	0.5
85.02896	10.4
85.06544	0.9
87.00829	0.7
87.04449	0.6
88.35337	0.4
90.06641	0.4
91.05459	2.6
93.07048	2.7
95.04949	1.3
95.08605	2.4
96.56544	0.4
97.02886	5.4
97.06521	1.0
99.04448	1.6
103.03970	0.6
105.07018	2.4
107.04948	1.8
107.08575	4.1
108.85835	0.5
109.02855	4.6
109.06518	1.9
109.10126	3.4
115.05434	0.5
117.07018	1.1
119.04996	1.0
119.08595	2.3
121.02881	1.8
121.06497	1.1
121.10143	3.3
123.04417	2.9
123.08088	0.7
123.11729	1.1
127.03900	4.9
131.05005	0.4
131.08548	1.3
133.06500	0.8
133.09113	0.7
133.10114	12.0
135.04442	1.3
135.08014	2.0
135.11696	1.6
135.79428	0.4
137.05956	0.6
137.09604	5.5
137.13205	0.5
143.08551	1.2
145.04953	1.2
145.10121	0.9
147.04410	1.3
147.11661	1.4
149.09615	1.3
149.13280	1.9
151.03868	0.6
151.11194	0.9
153.01852	0.8
157.06488	0.7
159.11670	0.8
161.05975	0.8
161.13268	0.6
163.11220	0.6
165.12793	0.6
167.07095	2.2
171.04420	0.5
173.05988	0.7
173.13293	1.1
175.07510	0.6
177.05486	0.9
183.11719	0.5
185.05870	0.5
189.05510	1.6
191.10588	0.5
191.14290	8.8
195.02863	0.9
203.10689	1.3
203.68114	0.5
207.06578	0.7
209.15367	1.9
213.05516	1.9
229.10060	0.9
231.06470	0.7
232.08902	1.5
247.11183	0.7
260.08270	1.2
269.08005	0.6
275.10696	1.4
279.06458	0.6
283.06110	1.0
291.06583	0.5
293.08249	0.7
293.11954	0.5
295.05969	19.6
296.06201	0.5
299.12927	0.6
303.10117	7.6
305.08203	0.7
307.06036	5.5
307.09747	1.7
309.04263	0.8
309.07675	1.9
311.05417	4.9
315.10205	1.0
319.09625	0.6
321.07703	2.9
321.11069	0.7
323.05637	0.7
325.07193	0.9
331.09592	28.0
333.07617	1.3
334.08340	1.7
335.08890	2.4
337.10831	0.7
343.09705	3.2
345.07532	1.0
345.11215	1.3
347.09225	1.9
348.09979	0.6
349.10666	45.4
350.11142	1.0
352.09207	0.5
353.10025	1.2
353.26703	1.0
357.07690	0.6
359.08792	0.7
360.10123	0.5
361.10721	3.0
363.12204	4.0
365.10248	0.6
367.11615	3.0
373.10733	2.0
375.16055	1.3
379.11829	1.5
383.11316	0.9
385.14319	2.9
391.11710	2.5
403.15414	9.7
421.16437	41.7
422.17212	0.9
439.17462	7.0
457.11545	0.9
463.17557	1.3
511.15866	2.4
527.15814	0.6
529.16992	7.9
545.16504	1.4
565.21417	0.8
583.21710	100.0
584.22125	3.2
601.22699	9.6
601.32056	1.7
602.23035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.4
55.01839	0.6
55.05473	0.4
55.14677	0.3
57.03383	1.1
61.02880	0.9
67.05450	1.2
69.03429	2.8
69.07038	0.7
70.22908	1.4
71.04941	0.4
73.02871	0.7
77.97983	0.3
79.05459	0.8
79.54861	0.3
81.03418	1.6
81.07003	1.0
82.57497	0.3
83.08566	0.5
85.02897	4.9
87.04427	0.5
91.05456	0.6
93.06985	0.8
95.04922	0.7
95.08604	2.5
97.02902	1.9
99.04429	0.4
105.06961	1.4
107.04906	0.7
107.08549	1.1
109.02818	1.0
109.10154	1.9
117.03349	0.3
117.06940	1.3
119.08504	0.9
121.02844	0.3
121.10082	1.2
123.04402	2.8
123.11658	0.6
127.03824	1.1
128.06294	0.3
129.06918	1.0
131.04855	0.5
131.08511	1.0
133.10052	0.8
135.04355	0.9
135.07996	0.9
135.11620	0.7
137.02263	1.4
140.10422	0.3
142.07605	0.3
145.04871	0.4
147.04379	0.6
147.11662	0.5
149.05919	0.6
151.03847	0.4
153.01756	0.5
155.08453	0.3
156.90898	0.4
157.06430	1.2
157.10068	0.5
159.04405	2.0
159.11664	0.6
161.02364	0.3
161.13199	0.4
163.14755	0.4
169.06465	0.7
171.04393	0.7
171.07895	0.3
175.14822	0.4
177.01619	0.4
177.16394	0.5
181.06462	0.5
185.06000	1.6
187.07458	1.1
189.01678	0.4
189.05444	2.3
189.16301	1.1
191.17921	0.6
195.02917	1.5
199.67220	0.4
202.07672	1.3
203.06958	1.1
203.17978	0.6
207.02896	0.9
209.13271	0.3
211.07489	0.5
212.57658	0.3
213.05467	7.6
217.10133	2.4
217.19420	0.6
219.08112	0.5
220.08847	0.4
221.09538	0.4
231.06468	2.2
237.09030	0.5
245.09610	5.1
247.07513	0.8
248.08157	0.7
255.06308	0.5
257.04401	0.4
257.22845	0.3
262.09836	0.4
263.10635	1.2
265.08463	0.4
267.10349	0.3
273.09100	2.1
273.54007	0.3
275.06934	1.4
276.07758	1.4
283.05820	0.6
285.03699	0.4
291.10098	2.8
293.04486	0.6
299.05530	0.5
301.08569	1.4
304.07257	0.4
305.04727	0.5
305.08072	0.9
308.06671	0.7
309.11002	0.5
311.05481	28.3
312.05847	1.1
318.08798	0.5
319.09634	11.3
320.09961	0.5
321.07697	0.7
322.08258	0.6
323.05426	2.4
323.09134	2.6
325.07068	0.5
329.07974	2.0
337.07230	1.5
337.10574	0.7
347.09116	53.0
348.09555	1.7
349.06992	1.6
350.07910	2.8
353.10089	0.9
364.09467	0.6
365.10168	100.0
366.10645	2.5
367.11856	1.0
383.11234	3.0
407.04025	0.3
407.11230	0.8
407.36804	0.8
421.16458	17.3
422.16534	0.6
439.17603	1.7
473.10901	1.5
527.15472	43.3
528.15625	1.6
529.16876	3.6
545.16577	5.2
545.28717	0.7
583.21710	60.2
584.21954	1.7
601.22797	4.3
601.34521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
53.70123	1.4
55.01854	3.2
55.05509	7.1
57.03426	3.5
57.07053	2.8
57.77321	1.3
59.04993	2.6
59.67794	1.2
59.94595	1.5
61.02900	3.7
67.05496	16.7
69.03423	15.8
69.07063	17.0
69.12971	1.3
71.04986	2.1
71.28780	3.0
73.02891	5.9
79.05499	8.5
79.80830	1.3
81.03420	9.6
81.07047	22.0
83.04951	2.7
83.08604	8.1
85.02900	31.7
87.04446	1.8
91.05482	10.7
93.07034	19.0
95.01317	4.6
95.04955	5.3
95.08602	50.1
95.09219	2.7
96.37795	1.6
97.02877	12.0
97.10148	4.4
99.04446	2.1
101.02375	1.7
103.05477	1.8
105.07019	20.0
107.04971	3.0
107.08585	32.4
109.02860	4.8
109.06496	4.5
109.10143	39.7
109.83817	1.4
111.11694	3.4
113.02362	4.4
114.36173	1.5
117.07008	3.1
119.08574	24.6
121.06492	2.0
121.10127	25.0
123.04416	36.3
123.08012	3.0
123.11691	12.8
127.03921	8.8
129.06976	2.6
131.03360	3.0
131.04878	3.2
131.08542	6.2
133.10123	38.7
134.03566	1.8
135.04378	2.1
135.08028	3.9
135.11674	21.2
137.05942	5.6
137.09590	10.6
137.13234	6.1
139.03880	8.7
141.01793	6.3
143.08583	3.5
144.20064	1.4
145.04930	2.3
145.06467	2.1
145.10094	10.8
147.04395	5.4
147.08047	2.2
147.11652	19.4
149.05916	2.8
149.09616	2.0
149.13214	12.3
151.03856	2.1
157.10098	3.1
159.02921	2.1
159.04390	4.7
159.07967	1.9
159.11691	11.7
161.13251	16.5
163.07506	1.9
163.14784	12.0
165.09140	2.0
167.07031	7.0
171.11621	2.9
173.13274	7.7
175.14807	11.4
177.05444	5.9
177.16364	13.5
179.17862	1.6
185.13260	2.5
187.07631	2.0
187.14824	7.4
189.05434	1.7
189.09128	2.9
189.16367	29.8
191.03432	2.1
191.14259	10.2
191.17938	25.4
193.04950	1.5
197.09799	1.4
199.14764	1.7
201.05402	1.8
201.16380	8.6
203.17920	15.0
205.19473	5.9
207.17470	2.2
209.15305	1.7
213.05502	2.8
215.07118	1.5
215.10680	11.6
215.17906	7.9
217.19498	14.8
227.17944	2.6
229.19469	9.6
231.06493	1.8
231.21144	4.2
241.04906	1.9
241.19429	2.1
243.21014	4.3
245.22620	2.4
251.06909	2.0
255.21146	2.2
257.22595	5.6
269.22458	3.5
271.24191	4.8
281.08237	1.4
285.11288	2.3
295.06009	1.9
297.07352	2.7
297.25854	4.7
298.04666	2.1
299.12671	12.7
301.08569	2.0
302.38968	1.6
310.04843	3.2
311.05417	8.6
311.12814	2.3
311.27145	1.6
313.06979	3.4
318.08890	2.9
322.04712	4.1
323.05276	2.6
325.06985	21.1
329.08105	1.8
333.11115	4.2
335.08911	2.1
337.07056	10.0
337.10449	2.1
339.08463	3.7
345.07486	1.8
346.08255	8.4
347.08984	3.1
349.10654	2.6
351.08517	3.3
353.10095	20.7
353.13834	3.1
359.09210	1.7
361.10596	16.1
363.08356	4.1
364.09332	10.3
365.10117	8.3
365.31726	2.7
367.11664	3.5
378.10742	2.1
379.11746	50.1
393.13266	51.2
403.15454	22.7
406.13965	1.7
407.11295	1.9
407.36667	23.0
419.10864	2.5
421.16431	71.0
425.37567	4.4
439.17471	100.0
471.14526	1.9
473.11279	1.7
480.47952	1.6
489.15384	1.8
527.15576	2.6
535.19788	8.7
545.16528	26.9
565.20819	2.7
569.10760	3.0
583.21442	16.1
601.22089	13.7
601.34100	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	601.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.4
53.68936	0.2
55.01867	0.3
55.05484	0.4
57.03406	0.4
59.04966	0.3
61.02890	0.5
63.55610	0.2
67.05471	0.7
69.03425	1.8
69.07035	0.6
69.76685	1.7
73.02877	0.3
79.05464	0.5
81.03365	1.0
81.07003	0.9
83.08569	0.2
85.02898	3.4
87.04436	0.3
91.05418	0.8
92.08727	0.3
93.06984	0.7
95.04943	0.4
95.08609	1.3
97.02837	0.8
99.04394	0.3
105.06989	0.6
107.08532	0.9
109.02850	1.0
109.06428	0.3
109.10094	0.8
119.04903	0.7
119.08521	0.8
121.02821	1.1
121.10060	0.5
123.04367	0.4
123.11597	0.3
127.03927	1.3
131.08466	0.3
133.10059	1.1
135.11690	0.5
137.09552	0.5
145.04826	0.4
145.10086	0.5
147.04362	0.6
147.11630	0.3
149.09520	0.3
151.07465	0.4
159.11642	0.3
161.13196	0.4
161.44281	0.3
165.01839	0.3
167.07001	0.9
173.13255	0.4
175.07568	0.4
189.01839	0.5
189.16420	0.3
191.14290	0.5
191.17899	0.3
195.02777	0.6
201.05356	0.3
207.02824	0.4
209.00792	0.9
209.15215	0.4
211.02333	0.6
213.09084	0.3
227.01804	0.6
233.04300	0.4
235.02376	0.9
251.06944	0.4
267.06506	1.0
268.07190	1.1
282.05087	0.4
283.06012	10.4
295.06015	17.4
295.09146	0.6
296.06732	2.2
297.07590	1.7
307.06009	3.5
309.03934	22.3
309.07245	0.8
310.04453	0.5
311.05478	89.9
312.05817	2.2
321.07666	0.3
323.09119	42.1
324.09457	0.5
325.07037	12.4
327.04987	4.8
335.09030	0.3
337.06714	0.6
337.10709	9.3
339.08624	0.5
347.09042	0.8
351.04773	0.5
353.06613	1.2
353.26996	0.3
365.10178	5.7
383.11234	25.7
384.11804	0.6
393.13031	0.4
421.16348	0.4
434.28271	0.3
439.17749	2.5
469.11292	0.4
473.10764	5.5
473.17099	0.5
485.14474	4.5
487.12735	0.4
527.15637	0.5
540.34955	0.3
545.16516	100.0
546.16931	3.1
601.22772	30.4
602.23297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98138	0.4
50.99892	0.4
53.03887	1.4
53.04105	0.5
55.01825	0.8
55.05440	1.4
55.05681	0.5
57.03365	2.2
61.02854	2.1
65.03875	0.4
67.05431	3.1
69.03355	9.8
69.03759	0.7
69.06985	1.7
71.04922	1.3
71.60030	0.5
72.08108	0.8
72.78114	0.5
73.02839	2.1
73.82789	0.4
79.05419	2.3
80.16249	0.5
81.03410	4.7
81.07039	4.5
83.04918	0.9
83.08567	1.0
84.08074	0.8
84.72923	0.5
85.02899	19.1
85.03365	1.0
85.06490	0.5
86.03185	0.5
87.04377	1.9
91.03880	0.7
91.05468	2.5
93.07034	3.3
95.04906	1.4
95.08576	4.4
97.02886	6.5
99.04364	2.0
103.03899	0.9
105.07008	2.6
107.04904	1.3
107.08583	4.2
109.02869	3.8
109.06441	1.4
109.09476	0.4
109.10143	3.7
111.04344	0.5
115.03871	0.7
117.06946	1.4
119.04874	1.3
119.08597	3.0
121.02762	1.9
121.06425	0.5
121.10117	2.7
121.10793	0.5
123.04314	1.5
123.08087	0.5
123.11604	1.6
127.03910	5.7
128.04166	0.5
129.06911	0.8
131.04842	0.5
131.08459	0.9
133.06380	0.6
133.10126	3.7
135.04324	0.9
135.07973	1.0
135.11615	1.8
137.09567	1.3
137.13266	0.5
143.08572	0.7
145.04916	0.9
145.06487	0.7
145.10054	1.2
147.04323	2.0
147.11682	2.6
147.27869	0.4
149.05911	0.5
149.09508	0.5
149.13190	1.0
151.07312	0.6
153.01781	0.5
153.05391	0.5
153.06828	0.5
157.06465	1.0
157.10133	0.6
159.11606	1.1
161.05775	0.7
161.13159	1.5
163.14679	1.2
167.07071	2.5
169.06380	0.5
169.10190	0.6
173.13216	1.4
175.14778	0.9
177.16237	1.0
181.10040	0.5
185.05902	1.1
189.05449	2.3
189.09001	0.6
189.16261	1.9
191.14206	2.3
191.17905	1.0
201.16292	0.8
203.06886	1.0
203.17880	1.6
213.05394	1.3
215.08505	0.6
215.17841	0.8
217.10080	0.5
217.19518	1.2
219.09871	0.6
219.11717	0.6
229.10168	1.3
229.19485	0.7
229.79788	0.6
231.06372	1.0
232.08774	2.9
247.11191	1.4
257.09500	0.6
260.08292	1.8
267.06720	0.5
275.10641	3.3
275.13162	0.5
279.06390	0.7
283.05936	1.1
292.07376	0.7
293.07938	0.8
295.05981	14.6
296.06717	0.6
297.07632	0.7
303.10138	11.4
307.05954	3.8
307.09515	2.3
309.07474	1.5
311.05441	1.9
317.07788	0.7
319.09515	1.1
321.07547	3.7
321.11221	1.0
325.07098	1.5
331.09628	49.2
332.10107	1.3
333.07419	1.0
333.11200	1.5
333.50128	0.5
334.08304	2.5
335.09109	4.1
337.07068	0.6
337.10724	2.1
347.09091	1.1
349.10678	100.0
350.11108	2.3
351.12268	1.5
352.12531	1.1
353.09668	0.7
353.13312	1.0
355.09598	0.8
361.10703	1.6
363.12271	3.1
365.10251	1.3
367.11707	1.8
373.10638	2.7
375.12061	0.8
377.10324	0.7
379.07346	0.7
379.11609	2.7
380.12051	2.2
381.12671	2.2
385.14224	1.3
391.11670	4.4
403.15390	11.1
407.36826	1.2
421.16431	23.1
437.15604	0.9
439.17505	80.9
440.17746	1.6
463.17664	0.8
481.18585	1.7
493.14926	0.8
511.16019	12.4
515.17950	0.8
545.16486	0.8
557.19391	1.2
583.21344	2.2
601.22839	49.7
602.22955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2273
Annotation	19-Hydroxy-13-oxobaccatin III
Peak:m/z	Relative Intensity
53.03917	0.6
55.01303	0.4
55.01844	0.7
55.05472	0.8
57.03397	1.4
61.02910	1.8
65.03894	0.5
67.05452	1.2
69.03418	7.0
69.07043	0.6
70.88652	0.8
71.04960	0.8
72.11140	0.3
73.02869	1.5
79.05453	1.0
80.01203	0.4
81.03397	2.1
81.07013	1.1
85.02895	9.1
85.06490	0.4
87.04409	0.9
91.03927	0.5
91.05454	1.2
95.08573	0.5
97.02386	0.4
97.02882	3.1
99.04431	0.9
101.02350	0.5
102.06792	0.4
103.03880	0.5
105.03389	0.5
105.06963	1.1
107.04886	1.7
109.02818	1.2
109.06462	0.6
109.10115	0.6
113.21524	0.4
115.03956	0.4
117.06947	0.4
119.04910	0.6
119.08562	0.6
121.02850	4.6
123.04440	0.6
123.11641	0.5
127.03839	1.7
131.04904	0.9
131.08447	0.5
133.02818	1.1
133.10121	0.8
135.04399	2.2
137.09557	0.7
143.08467	0.7
147.04350	0.6
149.05916	0.4
155.08516	0.5
157.06410	0.7
159.04356	0.9
161.02312	0.5
165.06985	0.5
167.06973	0.6
169.06354	0.6
171.08022	0.8
173.05972	0.5
181.06526	0.4
185.05989	0.5
187.03915	0.6
187.07510	1.0
189.05382	1.2
191.03333	0.4
191.14252	0.9
193.10135	0.7
195.02800	0.7
197.05966	0.5
199.07503	0.5
203.06842	0.4
210.61333	0.4
213.05452	4.4
213.23410	0.4
217.10130	0.5
221.09535	0.5
223.10991	0.5
225.05254	0.5
225.08990	0.6
231.06229	0.5
232.08789	0.8
239.10555	0.5
241.12292	0.7
245.09715	0.5
249.08862	0.5
252.08104	0.4
253.08394	0.5
259.11176	0.5
260.08282	0.6
267.10120	1.4
273.08994	0.6
274.09787	0.6
275.10568	0.7
287.10760	0.8
289.08661	0.5
291.06689	0.4
291.10077	0.6
295.05972	5.2
301.08383	0.6
302.09198	0.5
303.10065	2.6
305.07983	1.5
307.05927	2.2
307.09485	1.0
308.06635	0.5
309.07617	0.6
311.05438	3.4
314.09274	0.5
315.10046	1.4
316.83887	0.4
317.08182	0.9
318.08817	1.6
319.06195	0.6
319.09592	2.9
321.07541	3.6
324.11557	0.5
325.07697	0.5
327.10001	1.1
329.08002	0.5
329.15204	0.4
331.09604	11.4
332.10159	0.8
333.07425	1.1
333.11240	1.7
334.08261	1.0
335.09198	1.1
337.10687	0.9
341.07919	0.5
341.11768	0.8
342.12491	0.5
343.09613	4.5
343.13339	0.4
345.07349	1.0
345.11182	1.7
345.14822	0.4
347.09088	5.5
347.12982	0.6
348.09695	1.4
349.10669	25.3
350.10867	0.8
353.10208	0.9
355.09540	3.2
356.10379	0.5
357.11148	0.8
357.14859	1.0
359.09033	1.1
359.12891	1.0
361.10544	5.6
361.14517	0.7
363.12030	0.7
365.10065	6.8
367.13226	1.6
369.11005	2.2
370.11938	1.7
373.10455	2.2
375.12012	1.1
375.16037	1.4
382.97510	0.4
385.14313	11.4
386.14529	0.5
387.12277	1.0
388.13040	1.8
391.11707	0.7
400.95953	0.4
403.15366	100.0
404.15659	3.9
421.16409	7.7
427.15237	0.8
439.17484	0.5
445.16449	4.2
446.16013	0.4
457.10736	0.4
511.15912	6.7
527.15387	4.2
529.17047	2.8
543.60248	0.4
565.20612	95.2
566.20959	4.4
583.21680	32.8
584.22095	1.4
601.22961	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2275
Annotation	19-Hydroxy-13-oxobaccatin III
Peak:m/z	Relative Intensity
53.03920	0.6
55.01849	0.7
55.05488	0.8
57.03399	1.5
57.07054	0.3
61.02922	2.2
61.70550	0.3
62.20761	0.3
65.03881	0.4
67.05499	1.7
69.03422	7.4
69.07040	1.2
71.01347	0.4
71.04953	0.6
73.02909	1.9
79.05456	1.0
81.03419	2.1
81.07059	2.1
83.08603	0.4
85.02901	9.6
87.04443	1.3
91.03898	0.4
91.05471	1.7
93.07005	1.5
95.04955	0.8
95.08601	2.2
97.02885	4.9
97.10117	0.6
98.20713	0.8
98.87858	0.4
99.04423	0.8
101.02370	0.6
103.03898	0.6
103.05477	0.4
105.03384	0.3
105.07024	2.1
107.04985	2.2
107.08585	1.8
109.02855	1.7
109.06425	0.8
109.10114	1.4
115.05477	0.3
117.07018	0.6
119.04901	1.0
119.08561	1.7
121.02849	4.2
121.06474	0.5
121.10088	1.2
123.04379	1.0
123.08017	0.4
123.11595	0.5
127.03899	2.9
129.06931	0.9
131.04912	0.8
131.08574	0.7
133.02831	1.0
133.06418	0.5
133.10126	2.1
135.04422	2.2
135.11641	0.6
137.05896	0.3
137.09612	0.7
143.08449	0.7
145.04929	0.5
145.06454	0.4
145.10088	0.9
147.04411	0.9
147.11661	0.8
149.05992	0.7
149.13251	0.5
151.07521	0.5
157.06438	0.6
159.04373	1.6
159.08014	0.6
161.02277	0.4
161.13237	0.5
163.03839	0.4
163.14795	0.4
165.05519	0.3
165.06924	0.5
165.12634	0.4
167.07011	0.9
169.06482	0.7
171.04407	0.4
171.07986	0.8
173.13260	0.6
174.29805	0.3
175.03723	0.3
175.14845	0.6
179.08560	0.4
183.07986	0.6
185.05986	0.5
187.03918	0.5
187.07532	1.4
187.60754	0.3
189.05434	1.0
189.16281	1.2
191.14322	1.3
191.17929	0.6
193.10159	0.5
197.05994	0.7
199.07668	0.4
203.07024	0.8
205.10046	0.5
208.08792	0.6
209.09688	0.4
209.15422	0.9
211.11230	0.5
213.05472	5.8
217.10068	0.5
217.19411	0.5
221.09636	0.4
225.05354	1.0
225.09105	0.8
226.09929	0.6
232.08841	0.9
239.10606	0.6
241.12138	0.4
244.08891	0.5
245.09534	0.6
249.09192	0.6
253.08676	0.5
267.06525	1.6
267.10147	1.2
271.11301	0.4
274.09802	0.5
275.10535	0.7
276.07751	0.7
277.08484	0.7
283.05862	0.7
287.10681	0.6
289.08496	0.8
295.06012	4.7
297.07483	0.4
303.10059	2.2
305.08105	1.5
306.08679	0.5
307.05969	1.3
307.09305	0.7
309.07642	1.0
311.14038	0.4
314.12933	0.4
315.10086	1.0
317.08044	1.1
318.08844	1.8
319.09622	2.5
320.06717	0.5
321.07617	3.4
321.11053	0.8
323.09180	0.6
323.12903	1.0
324.11685	0.7
325.07190	0.7
327.10251	1.0
331.09613	11.6
332.10168	0.8
333.07599	0.7
333.10971	1.8
334.08441	1.1
335.09171	1.2
337.10733	1.1
341.11789	0.9
342.12332	0.7
343.09622	4.6
343.13461	0.5
344.10239	0.4
345.07523	1.3
345.11203	1.8
346.08249	0.9
347.09033	2.6
348.09940	1.1
349.10681	21.3
350.11273	0.5
353.10425	0.7
353.94623	0.4
355.09689	3.5
357.11108	0.8
357.15015	1.1
359.09039	0.6
359.12933	0.9
360.09586	0.5
360.13504	0.5
361.10635	5.8
361.14462	0.6
363.12442	0.8
364.09384	0.6
365.10162	1.3
367.13120	2.1
369.11325	1.7
370.12039	1.3
371.12823	0.4
373.10568	2.4
375.11948	1.1
375.15988	1.0
379.11792	3.9
385.14349	9.9
387.12253	1.4
388.13153	1.7
391.11850	0.5
393.13596	0.4
403.15396	93.2
404.15674	3.5
407.36649	0.9
421.16495	5.3
427.15253	0.5
439.12921	0.7
439.17743	1.2
445.16336	4.1
496.50677	0.4
511.15991	7.2
521.74695	0.4
529.16980	3.2
541.16772	0.6
565.20648	100.0
566.21118	3.8
583.21710	28.7
584.21887	1.0
601.22278	2.7
601.30951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01868	1.7
55.05495	0.4
56.96566	0.4
57.03422	1.3
59.04994	0.4
60.46020	0.3
61.02912	1.2
65.03924	0.7
67.05487	1.7
68.99773	2.8
69.03070	0.6
69.03423	9.2
69.07064	1.5
69.45560	0.3
71.01326	0.4
71.02487	0.8
71.04979	1.1
73.02906	1.2
79.05481	1.3
81.03409	7.2
81.07053	2.2
82.04148	0.4
83.04959	0.6
83.08614	0.5
85.02898	17.6
87.00832	3.3
87.04475	0.4
91.03928	0.5
91.05466	1.4
93.03367	0.8
93.07045	2.3
95.04938	1.0
95.08596	2.6
97.02893	5.1
97.06520	2.8
99.04450	2.9
101.02353	0.3
103.03940	0.5
103.05441	0.5
105.01855	4.2
105.07022	2.7
107.04929	1.2
107.08591	2.2
109.02876	8.4
109.06516	0.6
109.10152	2.5
110.03658	1.5
111.08051	0.5
115.03904	0.4
115.05441	0.7
117.01796	0.4
117.07006	1.1
119.04906	0.7
119.08599	2.1
119.09298	0.4
121.02821	0.7
121.06492	1.0
121.10159	2.3
123.04425	5.6
123.08106	0.4
123.11704	0.7
125.05988	9.0
127.03909	14.7
128.06212	2.5
129.01842	1.1
129.06973	0.4
131.04939	0.7
131.08563	0.8
133.02821	1.9
133.06509	0.4
133.10120	2.7
135.04410	0.5
135.08051	0.8
135.11661	1.0
137.05945	1.2
137.09567	0.9
138.03108	5.8
141.01813	0.5
142.07755	0.5
143.08556	6.9
143.09662	0.5
145.04936	5.1
145.06468	0.8
145.10098	0.8
146.07277	0.7
147.02875	1.0
147.04375	1.6
147.08044	1.0
147.11652	1.0
149.05957	1.2
149.09642	0.5
149.13231	1.0
151.03917	0.5
151.07607	0.5
153.05452	100.0
154.05753	0.6
155.08548	0.6
156.79398	0.3
157.06482	0.5
157.10141	0.4
159.02887	5.2
159.04283	0.5
159.08031	0.5
159.11661	0.6
160.05194	0.6
161.05959	1.1
161.09586	3.9
161.13216	1.0
162.03104	1.9
163.03848	1.0
163.11214	0.4
163.14822	0.5
165.05469	1.0
165.06844	0.3
167.07069	1.6
167.08409	0.4
171.08037	25.9
173.13203	0.8
174.06749	5.6
175.07544	0.6
177.05450	17.8
177.16336	0.5
178.06184	0.8
179.03383	0.3
183.11629	0.4
185.05962	0.5
185.09604	0.6
187.03963	0.5
187.07529	0.9
189.09093	87.4
189.16319	1.1
190.09366	0.5
191.03389	0.7
191.07085	0.5
191.14291	1.2
191.17906	0.8
193.05025	1.7
195.02859	0.8
195.06488	0.8
195.08101	0.7
198.06760	1.0
199.07544	4.6
201.09090	1.4
203.17902	0.8
209.15273	0.5
211.07576	0.9
213.05463	1.0
213.09108	3.1
214.09877	2.0
215.06892	0.4
217.19452	0.9
219.06557	1.0
225.08977	0.4
229.08578	1.3
231.04916	3.3
231.10020	0.6
241.04848	0.5
241.19432	0.4
243.06535	0.6
243.10201	0.6
245.07957	0.4
250.54140	0.3
255.10014	0.4
261.07523	0.6
265.08405	0.4
267.06451	0.6
271.24112	0.5
273.11130	0.3
280.04422	0.3
281.08188	0.4
283.05954	0.7
293.04434	0.8
293.07742	0.4
295.06000	2.3
297.07593	0.7
297.10910	0.6
299.09061	0.3
303.10059	0.4
307.05972	8.9
307.09470	0.7
308.06345	0.3
309.03891	1.1
309.07611	1.0
311.05505	4.7
313.06696	0.5
319.09637	0.3
321.11084	1.2
322.04681	0.4
322.08307	0.6
323.09140	3.3
324.06357	0.6
325.07077	2.2
325.14471	0.5
327.05005	0.7
335.09048	0.7
337.06903	1.0
337.10696	1.7
338.10959	0.7
339.08536	0.8
339.12131	0.5
341.06555	0.9
347.09122	1.3
351.08215	0.3
351.12250	4.7
352.12918	0.7
353.10150	4.8
353.13818	47.3
354.14053	0.7
363.12073	0.9
365.10062	3.2
365.13928	0.7
367.11649	0.5
377.13922	1.7
379.11826	0.9
383.11139	1.3
393.13278	4.1
395.14957	3.3
407.36658	1.0
411.14334	1.3
413.12180	0.5
419.14691	1.1
421.16409	1.8
439.17441	10.0
461.15399	1.2
489.14972	0.4
535.19452	0.8
545.16614	8.8
565.17322	0.9
583.17725	1.6
601.23059	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	601.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61330	0.3
53.03941	2.4
53.88337	0.2
55.01874	2.8
55.05513	0.7
57.03435	3.0
59.71410	0.2
61.02927	2.4
67.05517	1.2
68.99786	2.7
69.03426	18.0
69.07066	0.7
70.04955	1.5
70.06593	0.5
71.01331	0.5
71.04996	2.2
72.08163	0.7
73.02914	2.8
79.05507	1.3
81.03413	14.7
81.07047	1.9
83.01355	0.5
83.05000	0.8
83.08614	0.4
85.02900	28.8
85.06585	0.3
86.03269	0.3
87.00829	8.7
87.01333	0.5
87.04483	0.7
91.03957	0.6
91.05459	1.5
92.99785	0.7
93.07006	1.4
95.04964	0.7
95.08597	1.3
97.02884	9.2
97.03491	0.6
97.06555	0.3
98.21420	0.3
99.04453	5.3
101.02415	0.6
103.03950	1.5
105.01859	5.3
105.07024	1.7
106.04198	0.4
107.04978	0.9
107.08584	2.3
109.02872	13.8
109.06541	0.8
109.10162	1.4
115.03936	0.7
115.05424	0.4
117.01849	1.1
118.04183	0.3
119.04977	0.8
119.08595	0.9
121.02879	0.8
121.06518	0.8
121.10137	1.5
122.07271	0.3
123.04450	1.0
123.11684	0.4
125.06045	0.7
127.03910	21.0
128.06157	0.3
129.01823	2.4
129.07002	0.6
131.04941	0.6
131.08580	0.7
133.06488	0.8
133.10127	8.5
135.04436	0.7
135.08073	1.0
135.11708	0.6
137.02325	0.3
137.05934	0.4
137.09615	4.5
141.01808	0.5
141.07059	0.3
145.02866	0.4
145.04948	5.1
145.10135	0.7
147.02908	1.1
147.04343	1.4
147.11711	0.6
149.05971	0.4
149.09618	0.6
149.13289	1.1
151.07599	0.3
153.05530	0.4
153.09161	0.4
155.04918	0.9
157.06474	0.5
159.02893	5.2
159.04311	0.4
161.06018	0.4
161.13217	0.4
163.03891	1.0
163.14883	0.4
165.01837	0.7
167.07047	2.7
168.07372	0.3
171.03052	0.3
173.06006	0.3
173.09778	0.3
173.13286	0.9
175.03888	0.4
175.14931	0.3
177.05479	0.7
177.08989	0.4
181.06419	0.3
183.02931	0.9
185.05949	0.8
189.04070	0.6
189.05524	0.5
189.09045	0.3
191.14310	6.9
191.16039	0.4
193.08595	1.2
194.08955	0.3
209.08081	0.8
209.15385	0.9
210.08405	0.8
213.03906	1.1
213.05620	0.4
217.05069	0.4
227.06860	0.3
229.04921	0.3
231.05005	3.4
251.10677	0.6
255.90691	0.3
261.09271	0.4
263.07077	0.4
267.06512	0.6
270.05151	0.6
271.06076	0.6
273.03925	2.3
279.10107	0.7
281.08011	0.4
283.05988	20.9
285.07718	0.6
289.08728	0.3
292.07233	1.0
293.04572	0.3
293.08063	1.1
294.04990	1.6
295.05917	1.7
296.06482	0.5
297.07477	2.9
307.05942	1.1
307.09555	6.5
309.07675	0.4
311.05548	1.1
311.09158	0.7
317.08066	1.3
320.06757	2.1
321.07297	0.4
325.07120	2.1
325.10483	0.5
335.09119	48.2
336.09500	0.9
337.06973	0.4
340.33975	0.3
347.09073	0.4
349.06979	0.6
349.10812	0.8
353.10168	100.0
354.10550	2.0
365.10312	0.7
377.10233	1.4
393.13562	0.4
395.11035	1.9
403.15518	0.3
419.11093	0.5
421.16473	0.9
439.17462	0.5
497.14224	0.6
498.25073	0.3
539.15363	4.2
565.13373	0.7
583.14282	18.2
584.14941	0.6
600.45422	0.3
601.22162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01853	0.7
55.05501	0.7
57.03423	0.8
58.06577	0.2
58.15681	0.3
60.73694	0.3
61.02901	0.9
63.51233	0.2
63.56199	0.3
65.03908	0.3
67.05509	1.5
68.99780	0.7
69.03069	0.5
69.03426	6.9
69.07068	1.3
71.01344	0.4
71.04976	1.0
71.61893	0.3
73.02910	1.1
79.05486	0.7
81.03416	5.0
81.07041	2.2
81.22422	0.3
83.08604	0.5
85.02903	9.2
87.00819	3.0
91.05466	0.8
93.07027	1.3
95.04928	0.4
95.08603	3.3
97.02880	3.9
99.04454	1.7
103.03951	0.8
105.01862	2.3
105.07001	1.1
107.04953	0.4
107.08590	2.3
109.02876	4.1
109.06506	0.4
109.10141	2.9
117.01824	0.3
117.07009	0.4
119.08555	2.0
121.10117	1.9
123.04415	0.8
123.11671	1.0
127.03907	7.0
128.06152	0.3
129.01813	0.7
129.07072	0.3
131.08534	0.5
133.10132	2.4
135.08049	0.4
135.11699	1.4
137.02289	0.4
137.09645	0.5
137.13249	0.3
143.08589	0.4
145.04927	1.7
145.10101	1.1
147.11676	1.2
149.05919	0.3
149.09581	0.3
149.13248	0.5
151.07545	0.3
157.10236	0.3
159.02917	1.7
159.04190	0.3
159.11662	0.8
161.02292	0.4
161.13226	1.0
163.14787	0.8
165.05469	0.3
167.07040	0.4
173.13263	0.5
175.14847	0.9
177.01846	0.7
177.16409	0.9
183.02859	0.3
187.14842	0.4
189.16391	2.3
191.03340	0.4
191.07249	0.3
191.14220	0.5
191.17941	1.8
195.02921	0.6
201.05431	0.4
201.16304	0.7
203.17960	1.4
205.19446	0.4
213.05533	0.6
215.18015	0.4
217.19514	0.8
219.06427	0.3
221.04317	0.3
229.19604	0.3
231.06732	0.6
255.06511	0.7
261.09143	0.4
264.08017	0.3
265.05020	0.3
269.22528	0.5
271.24207	0.3
283.05969	2.0
293.04498	0.8
295.06107	0.5
297.07623	0.6
299.05496	8.0
307.06073	0.5
307.09558	0.7
309.07413	0.3
310.04828	0.3
311.05530	9.5
311.09052	0.7
312.05865	0.3
313.07120	1.1
321.07574	0.5
323.05478	1.3
324.06155	1.3
325.07053	1.8
325.10535	0.4
335.09204	2.4
336.06171	0.7
337.06989	1.1
337.10583	0.3
338.07880	2.7
347.09125	0.8
352.09470	0.7
353.10172	100.0
354.10489	3.0
365.10144	2.3
369.13174	0.6
383.11194	3.9
393.13342	0.4
395.11411	1.2
406.35345	0.4
407.36801	1.7
421.16406	0.6
425.37738	0.4
439.17471	3.3
453.91806	0.3
515.15393	1.9
545.16547	3.8
560.88971	0.3
583.13586	0.4
583.21869	0.5
600.39203	0.4
601.15039	4.8
601.23297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01870	1.0
55.05494	0.8
57.03425	0.9
59.05017	0.3
61.02916	0.9
65.03945	0.3
66.22726	0.3
67.05492	1.1
68.99791	0.8
69.03426	6.0
69.07059	1.0
71.04988	0.5
71.29509	1.0
73.02903	1.0
79.05479	0.8
81.03407	5.7
81.07048	1.9
84.66074	0.3
85.02901	8.4
86.76798	0.4
87.00826	2.2
91.03944	0.4
91.05473	1.1
93.07026	1.2
95.01336	0.3
95.04977	0.7
95.08588	2.1
97.02892	3.0
99.04440	2.1
100.52776	0.3
101.79431	0.3
105.01858	1.7
105.03362	0.4
105.07020	1.2
107.04934	0.7
107.08569	1.7
109.02872	4.3
109.06523	0.9
109.10158	1.5
117.00626	0.4
117.01884	0.7
117.07059	0.4
119.08554	1.5
121.10131	1.3
123.04399	1.5
123.08070	0.3
123.11666	0.3
127.03915	6.2
129.01839	0.7
131.08591	0.6
133.10127	2.9
135.04425	0.6
135.11661	0.8
137.02335	0.8
137.06023	0.4
137.09601	0.9
141.01868	0.5
145.04953	1.3
145.06531	0.5
145.10088	0.5
147.02917	0.4
147.04362	0.6
147.11636	0.7
149.13232	0.6
151.03896	0.4
151.07578	0.3
153.05455	0.8
156.88191	0.3
157.10080	0.4
159.02901	1.6
159.11678	0.4
161.02374	0.7
161.09587	0.3
161.13232	0.6
163.03925	0.3
165.01855	0.6
165.09093	0.4
167.03398	0.4
167.07056	0.9
173.06096	0.3
173.13225	0.5
174.06641	0.3
177.01854	0.5
177.05484	0.3
177.16377	0.5
183.02911	1.2
189.05412	0.4
189.09079	0.6
189.16409	1.2
191.03395	0.6
191.07031	0.4
191.14301	1.4
191.17934	1.4
195.02948	0.5
201.05399	0.6
201.16368	0.5
203.17938	0.5
207.10231	0.8
209.15479	0.4
213.05611	0.4
217.19522	0.5
219.06438	2.3
231.04887	0.6
243.06413	0.4
245.15504	0.3
255.06566	0.5
261.09119	0.6
265.05063	0.3
269.08173	0.5
279.10034	0.4
281.04449	0.7
283.05942	1.6
283.09192	0.5
292.07394	0.5
293.04355	1.2
295.06073	1.0
297.11237	0.7
299.05472	8.3
307.05890	1.1
307.09436	0.6
310.04782	0.8
311.05499	6.9
311.08859	0.5
313.07025	0.5
321.07535	0.7
323.05579	1.6
323.09009	0.7
324.06290	1.8
325.07251	3.0
325.10718	0.5
332.96533	0.3
335.09198	3.0
337.07123	1.6
337.10745	0.5
338.07764	1.8
339.08643	0.5
339.12253	0.4
347.09290	0.6
351.08688	0.4
353.10172	100.0
354.10501	3.0
363.12100	0.5
365.10315	1.8
377.10208	0.7
379.11853	0.7
383.11206	1.0
391.07944	0.4
393.13293	4.8
395.11185	0.7
403.15375	0.3
407.36728	0.5
421.16199	0.9
439.17450	6.0
515.15674	0.4
535.19653	0.9
545.16522	4.4
583.21429	1.1
601.14014	0.8
601.23627	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	601.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97854	0.2
53.03949	1.2
55.01854	0.7
55.05508	0.3
57.03442	0.9
61.02916	0.8
65.03929	0.2
67.05486	0.9
68.99783	0.7
69.03426	6.2
69.07050	0.5
71.01344	0.2
71.02406	0.5
71.04971	0.6
73.02907	1.3
77.22141	0.2
79.05468	0.4
81.03413	5.7
81.07037	1.0
83.01313	0.2
83.08630	0.2
85.02899	7.9
86.03233	0.2
87.00826	2.4
87.04478	0.4
91.03976	0.3
91.05474	0.4
93.07022	0.7
95.04912	0.3
95.08606	1.5
96.97442	0.2
97.02878	3.0
99.04442	1.7
100.58511	0.2
103.03909	0.3
105.01863	1.6
105.07027	0.7
107.08591	0.9
109.02875	3.9
109.06503	0.3
109.10136	1.1
117.01856	0.5
119.08581	0.8
121.10126	0.8
123.04440	1.3
123.11650	0.5
127.03903	5.0
129.01830	0.5
129.06935	0.2
133.10147	1.2
135.04410	0.4
135.11676	0.5
137.02351	0.5
141.01866	0.3
145.04959	1.4
145.10010	0.2
147.11674	0.4
149.13222	0.3
151.03798	0.2
153.01726	0.3
159.02893	1.8
159.11656	0.3
161.02348	0.4
161.13240	0.7
163.14911	0.3
165.01794	0.3
167.03336	0.2
167.06987	0.2
171.11502	0.2
175.14841	0.3
177.01851	0.7
177.16373	0.4
183.02959	0.3
187.07500	0.2
187.14751	0.2
189.05370	0.2
189.16409	1.0
191.14238	0.4
191.17882	0.5
201.05362	0.3
201.16364	0.2
203.17953	0.6
205.10110	0.3
205.19504	0.3
215.17932	0.3
217.19516	0.4
219.06499	0.5
219.10037	0.2
231.04936	0.8
231.21011	0.2
245.04509	0.3
255.06656	0.3
261.09027	0.3
265.04865	0.3
271.05917	0.2
279.10043	0.4
281.04129	0.2
282.09033	0.2
283.05945	1.7
287.05219	0.2
292.07587	0.2
295.05994	0.4
297.07642	0.5
297.11185	0.5
299.05481	8.3
307.09717	0.5
309.07474	0.2
310.04770	0.4
311.05588	2.8
311.09149	0.6
313.07034	0.6
315.54407	0.2
320.06769	0.4
321.07660	0.5
323.05417	1.3
324.06299	1.6
325.07001	1.6
325.10623	0.4
335.09103	3.0
337.06845	0.9
338.07782	2.4
339.08182	0.2
347.08929	0.5
352.08978	0.2
353.10156	100.0
354.10602	1.9
361.10687	0.2
365.10144	0.9
366.10471	0.4
367.11090	0.5
377.09982	0.5
379.11813	1.0
393.13162	0.3
395.11224	0.7
403.14676	0.5
407.11493	0.2
407.36630	0.7
419.14890	1.0
420.15384	1.4
421.15601	3.9
437.15857	0.8
438.16217	1.2
439.16986	3.8
476.28186	0.2
515.15326	0.6
545.16010	0.8
583.21722	1.0
601.14496	0.9
601.23242	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.05500	0.6
57.03422	0.5
58.51400	0.2
65.03944	0.3
67.05495	0.7
69.03431	1.3
69.07044	0.7
70.06588	1.4
71.04984	0.7
71.62630	0.2
71.63009	0.3
72.08150	1.5
73.42281	0.3
78.04704	0.2
79.05482	0.6
81.03420	1.6
81.07056	1.3
83.04957	0.6
84.04474	0.4
84.08142	0.5
85.02899	1.7
85.06526	0.4
86.09689	1.0
91.05477	1.6
93.07028	1.0
95.04974	0.7
95.08585	0.8
97.02865	1.4
97.06525	0.5
98.09711	0.2
99.04462	0.5
103.05463	0.5
105.07014	1.2
107.04935	0.7
107.08575	1.2
109.02875	1.6
109.06496	1.1
109.10151	0.8
112.07555	0.3
117.07013	0.3
117.66161	0.3
119.04906	1.6
119.08556	0.7
121.06495	0.4
121.10150	0.9
123.04427	0.7
123.08018	0.3
125.02037	0.3
125.05968	0.3
127.03910	3.2
129.10191	0.3
131.02875	0.3
131.04950	0.4
131.08606	0.4
133.06517	0.5
133.10124	2.3
134.06128	0.3
135.04330	0.3
135.08087	0.5
135.11703	0.5
136.07562	0.3
137.05984	0.8
137.09647	1.2
145.02814	0.4
145.04982	0.3
145.10132	0.4
146.35635	0.2
147.04401	8.6
147.08038	0.3
147.11758	0.4
148.04706	0.3
149.02115	2.2
149.09674	0.4
149.13255	0.4
151.03891	0.7
151.07552	0.7
152.07010	0.3
164.07109	0.5
165.12712	0.3
167.03267	0.5
167.07034	6.7
169.02641	0.5
173.13210	0.6
175.14882	0.4
177.05493	0.5
181.08614	0.3
185.02826	0.4
185.04254	3.7
185.13274	0.3
191.14290	1.9
193.08528	0.7
203.03722	0.4
209.15286	0.6
211.09592	0.7
211.61299	0.2
215.06879	0.3
218.11746	0.3
219.17647	0.3
249.07477	0.5
270.05249	0.8
278.11301	0.4
285.07544	2.9
295.05917	0.5
301.07074	0.3
311.07513	1.6
313.06552	0.3
321.07547	0.3
331.07843	1.0
349.10559	0.3
353.10217	2.2
371.14932	0.3
413.12048	2.0
415.10077	1.0
439.17374	0.3
439.28494	0.3
457.10815	1.2
475.12109	6.8
539.15375	1.6
541.13367	1.3
600.36823	0.3
601.15161	100.0
602.15594	2.4
613.32843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.05506	5.7
57.07066	6.1
59.06440	2.9
62.63648	3.1
65.03995	3.8
67.05490	13.7
69.03425	10.8
69.07057	8.5
69.30703	35.9
69.31107	4.3
71.04955	3.4
73.92104	3.4
77.76291	3.4
79.05489	13.7
81.07053	20.6
83.04978	8.5
85.06516	6.8
91.05485	22.0
93.07035	33.6
95.04970	10.2
95.08598	16.6
97.06531	9.2
98.21522	7.3
105.07029	47.7
107.08593	29.5
109.06509	12.8
109.10159	13.7
111.08119	4.1
112.94726	3.3
115.05453	3.3
117.06989	13.0
119.08565	48.9
120.09401	4.0
121.06499	7.3
121.10137	22.0
123.08033	24.3
125.06000	5.9
125.09644	4.0
128.06204	3.6
129.06999	13.0
131.08536	22.8
132.09354	4.6
133.10117	30.3
135.08051	12.1
135.11703	5.5
137.09596	8.6
141.07043	3.7
142.07765	15.5
143.08539	25.6
144.09323	9.8
145.06538	4.7
145.10104	50.0
147.08046	25.2
147.11661	11.3
149.09596	11.4
151.07558	9.7
155.08537	10.5
155.10695	4.9
156.09320	13.5
157.10143	42.7
158.10884	5.8
159.08092	8.3
159.11714	26.1
161.09605	10.0
163.11128	10.4
165.09096	40.4
166.07753	4.0
167.08595	4.6
168.09271	4.7
169.10109	13.9
170.10873	8.3
171.11670	23.7
172.12370	5.1
173.09566	5.4
173.13297	12.9
175.11157	15.6
177.12706	4.2
180.09286	3.9
180.11365	4.4
181.10152	5.8
181.12178	14.0
182.10818	4.6
183.11684	14.9
185.09572	3.9
185.13222	12.8
186.13992	3.9
187.11218	4.5
189.12749	9.8
190.13545	7.8
191.10655	4.2
193.10172	7.1
193.12251	11.7
194.10930	5.2
195.11656	17.9
196.12454	4.8
197.13275	13.6
199.11137	9.8
201.12708	5.4
203.14311	19.1
206.10985	3.7
207.11694	7.8
207.13771	11.2
208.12631	4.9
208.14554	9.9
209.13304	12.4
209.15131	3.3
211.11172	6.2
211.14870	8.2
213.12706	3.8
215.14340	5.1
219.13812	5.0
220.12602	4.2
221.13307	4.6
221.15321	66.6
223.14838	4.5
225.12805	3.6
229.15907	3.5
233.13234	4.6
233.15428	6.9
234.16080	20.9
237.12660	6.1
237.16461	6.7
247.14702	4.7
247.16977	18.5
249.16544	4.6
251.14322	5.4
253.15678	3.9
259.16864	3.8
262.19223	5.9
271.16879	3.6
274.19357	7.0
275.91238	3.6
281.18948	4.1
285.18753	4.3
286.19366	5.2
287.20071	7.5
299.20151	12.3
300.20801	3.6
311.20065	4.2
312.20831	5.7
313.21680	5.6
325.21512	15.6
326.22308	6.4
337.21640	8.2
340.23944	6.1
352.23953	72.9
365.24725	13.7
425.26971	3.5
427.28690	6.4
440.29163	13.5
507.34637	11.8
508.34921	12.1
516.02802	4.1
520.35449	100.0
600.41486	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	600.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.4
50.82426	0.3
51.02385	0.5
53.03939	0.9
55.05504	0.7
55.25021	0.3
57.07074	0.7
62.65496	0.3
65.03944	0.3
66.42085	0.3
67.05498	1.0
69.03414	0.6
69.07063	0.9
69.47078	3.1
77.03945	0.8
79.05485	5.0
81.07037	1.0
82.39479	0.3
83.04975	0.5
87.04446	0.9
89.06027	10.6
91.05479	2.9
93.07044	4.1
95.04976	3.2
95.08599	1.1
100.93903	0.3
103.05469	4.1
105.07030	100.0
106.07346	0.6
107.08596	2.1
109.06516	0.6
109.10163	0.7
116.07082	0.4
117.07005	1.0
119.04951	0.6
119.08585	2.9
121.06509	11.0
121.10137	2.1
123.08067	1.4
125.09607	0.5
129.06995	0.9
131.08568	2.2
133.08617	4.0
133.10123	1.8
135.07997	0.7
135.11728	0.5
137.09590	0.4
142.07787	0.5
143.08556	1.3
145.10136	2.6
147.08041	2.4
147.11705	0.4
149.09653	0.6
151.07561	0.9
155.08592	0.7
156.09402	0.5
157.10150	1.9
159.08055	0.7
159.11711	1.3
161.09682	0.7
161.13437	0.4
163.11140	0.7
165.09120	5.4
166.07864	0.4
167.08519	0.4
167.10710	0.8
168.11087	0.3
169.10141	1.1
171.11745	1.0
173.09587	0.4
175.09755	0.4
175.11218	0.7
177.11208	1.4
181.10138	0.8
183.10139	0.5
183.11732	1.3
185.13287	0.8
187.11218	0.5
189.12743	0.7
190.13548	0.5
193.10176	0.5
193.12289	0.5
194.10973	0.3
195.11699	0.9
197.13258	0.8
203.14360	0.9
207.11688	0.5
209.11633	0.6
209.13312	3.3
211.14832	0.4
215.14227	0.4
219.13808	0.4
221.13332	0.6
221.15337	3.1
225.12770	1.2
225.16406	0.4
227.12714	0.4
229.55132	0.3
233.15372	1.6
234.16000	0.4
237.14845	0.9
248.13966	0.5
251.14340	1.5
255.17372	0.9
269.15408	0.8
271.15390	29.1
286.19312	0.5
303.19562	1.2
321.11172	0.4
325.21548	0.5
327.17410	0.7
352.24036	1.9
365.24808	0.6
375.21664	28.0
479.27957	5.4
502.34982	0.4
507.34766	0.4
508.35168	0.5
520.35352	1.2
600.41266	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05495	0.3
57.03424	0.6
62.12534	0.3
66.94643	0.3
68.94033	0.2
69.03413	1.0
70.06580	0.6
71.04984	1.6
71.07539	0.4
71.07886	0.6
72.08139	0.7
81.03407	0.8
83.04966	0.3
84.08131	0.6
85.02496	0.3
85.02908	3.3
86.09718	0.3
87.04449	0.4
91.05466	1.2
97.02892	1.6
97.06522	0.3
98.09698	0.3
99.04474	0.3
103.05486	0.3
105.07029	0.7
107.04938	0.6
107.08587	0.3
109.02854	0.5
111.86806	0.2
115.05435	0.8
116.06255	0.3
117.07027	0.7
119.08581	0.3
121.06477	0.4
127.03881	1.2
128.06218	1.9
129.05496	0.6
129.06995	4.7
131.08568	5.9
132.05698	0.4
133.06485	1.3
133.10149	0.6
136.06160	1.2
137.05978	0.4
138.05487	0.6
141.06990	1.6
142.07790	0.4
143.08551	1.0
144.05667	2.0
145.04913	0.4
145.06448	1.5
146.07253	0.8
147.04388	1.5
152.07233	0.3
153.07025	0.7
156.05598	0.3
157.06451	2.4
158.07271	0.8
159.08041	11.0
161.05980	1.0
161.09610	2.5
163.07535	0.3
167.07021	1.9
169.06419	0.5
169.07675	0.4
170.07233	2.0
171.08023	2.5
172.05142	0.6
173.06007	1.4
173.09554	0.3
174.06773	0.7
175.07532	1.2
177.05426	0.6
180.08643	0.6
185.05862	0.4
187.07533	7.7
189.05379	0.4
189.09082	3.4
190.06328	0.3
191.06972	0.5
193.08473	0.4
198.06793	0.6
199.07550	1.4
201.05421	0.4
203.07018	1.4
204.07822	4.6
205.08551	0.9
207.10123	0.5
216.07835	1.1
217.08672	0.6
218.09375	0.6
219.10193	2.2
221.08031	0.3
221.11719	1.1
222.91496	0.3
223.14807	0.3
231.10170	2.8
234.08875	0.4
237.11165	0.9
249.11203	100.0
250.11536	0.9
267.12292	2.6
271.05991	0.4
313.06949	0.6
387.04028	0.6
437.08505	0.7
450.22855	0.3
455.09531	1.4
459.17618	0.3
600.34760	0.3
601.15216	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	600.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67413	0.1
53.03932	0.2
55.01863	0.2
57.03428	0.1
61.02916	0.2
61.79618	0.1
66.04712	0.1
69.03423	0.5
69.07053	0.1
69.62471	0.9
70.06583	0.1
71.10331	0.1
71.56406	0.1
78.04691	0.8
79.05488	0.8
81.03394	0.3
81.07062	0.2
83.04971	0.1
84.08160	0.1
85.02896	1.4
91.05460	0.5
93.07018	0.3
94.34958	0.1
95.04941	0.4
96.05737	0.2
97.02875	0.5
103.05451	0.5
105.04542	0.1
105.07018	3.2
106.04162	0.4
107.04943	1.2
109.02866	0.3
109.06536	0.1
111.04475	0.1
115.05437	0.8
117.06971	0.1
118.04135	0.2
119.04914	0.2
121.06483	0.4
122.03595	0.1
123.04407	2.4
124.05181	1.1
127.03886	0.4
127.33767	0.1
131.04863	0.2
133.06477	3.0
133.10100	0.1
134.03621	0.3
135.04413	0.1
137.05936	0.3
140.04610	0.1
140.07022	0.2
143.05984	0.2
145.04926	0.2
147.04391	0.3
149.05975	0.5
151.03888	0.4
152.04677	1.1
161.05963	6.2
162.07603	0.2
166.06235	0.1
167.07016	100.0
168.07361	0.6
173.06050	0.1
177.05553	0.1
178.06187	0.2
179.06987	0.3
180.08665	0.4
181.08580	0.7
193.08583	12.2
205.08577	0.2
211.09627	14.7
217.08678	0.1
221.06107	0.1
228.84341	0.1
265.08658	0.2
271.05933	0.4
295.06030	0.2
313.07169	0.2
331.10107	0.1
385.16434	0.1
438.17056	0.1
512.24109	0.1
540.77466	0.1
552.18408	0.3
601.15039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01868	4.4
55.05508	11.8
57.03438	2.3
57.07067	14.5
59.04997	2.7
65.03945	1.8
67.05499	21.3
69.03436	13.8
69.07068	20.7
69.44507	13.0
69.44938	5.8
69.45750	2.0
70.06622	2.1
71.04971	4.1
71.08632	5.3
73.02917	4.3
78.65523	1.8
79.05496	15.4
81.03420	9.6
81.07059	26.4
83.04998	4.9
83.08612	12.2
85.02927	4.2
85.06548	3.4
85.10190	2.6
91.05480	23.5
93.07042	42.4
93.07621	2.8
95.04972	11.9
95.08597	24.5
97.02885	12.1
97.06549	7.7
97.10222	2.4
99.04447	17.5
100.04806	3.8
105.07027	41.2
105.07670	3.3
107.04908	1.9
107.08593	26.9
109.02872	16.3
109.06531	7.2
109.10150	14.5
110.03197	3.3
111.08127	3.1
111.11700	3.2
115.05479	2.2
117.07049	8.4
119.08574	35.3
121.06485	9.8
121.10134	57.6
123.08051	12.0
123.11758	6.0
124.08780	2.1
125.05924	1.8
125.09655	2.3
127.03910	38.1
127.04758	2.2
128.04237	10.2
128.06252	4.0
129.07016	8.5
130.07808	3.2
131.08563	20.0
133.06497	2.8
133.10130	23.9
135.08087	6.4
135.11674	10.1
137.09663	6.0
139.11198	2.9
141.06984	2.5
142.07813	8.5
143.08578	16.5
144.09367	4.8
145.05003	5.6
145.06534	2.3
145.10109	28.6
145.11111	2.2
147.08026	9.2
147.11687	9.5
149.06018	4.2
149.09645	12.1
150.06383	2.7
151.07513	11.1
151.11256	2.0
155.08595	5.2
156.09373	8.5
157.10127	25.3
158.10922	2.6
159.08138	8.0
159.11658	15.8
161.09668	5.9
161.13333	4.6
163.11223	5.7
165.09106	11.6
167.08589	4.4
167.10664	82.0
169.10109	10.9
170.10904	3.9
171.11693	13.1
173.09660	5.0
173.13290	10.8
175.11304	3.5
175.14778	9.7
177.12737	1.9
179.08659	2.8
181.10164	7.8
181.12325	4.1
182.10945	6.2
183.08276	2.0
183.11688	9.7
184.12614	2.1
185.09660	2.8
185.13313	5.7
187.11223	4.2
187.14876	6.6
189.12866	6.5
191.14423	4.0
193.10120	4.0
194.10974	4.5
195.11697	10.7
197.13152	9.6
199.11208	4.3
199.14876	3.4
201.16446	3.5
203.14388	5.9
205.15979	2.7
206.10826	3.1
207.11813	8.3
207.13875	5.4
209.13368	9.2
209.15323	2.7
210.14214	2.7
211.11183	2.9
211.14835	4.5
213.12869	2.7
213.16475	2.4
215.14304	4.1
217.15984	3.1
219.11821	2.8
221.13367	5.1
221.15468	21.5
222.14182	2.9
223.14911	3.9
225.12856	4.0
225.16399	2.5
227.14528	2.4
229.16048	2.5
231.11728	3.6
231.17564	2.8
233.13181	4.0
233.15331	30.0
235.14841	4.0
237.12778	2.0
237.16435	3.1
239.14153	2.0
239.18010	3.3
239.23715	3.3
240.24202	3.8
243.11702	3.2
245.13232	3.0
247.17012	4.4
249.16620	2.9
251.14357	2.5
251.18169	2.5
253.16072	3.5
258.14093	2.2
261.16418	2.3
263.18021	3.3
269.19351	2.4
272.15533	2.3
285.29980	2.3
286.19052	2.3
299.20227	5.4
311.20197	5.8
313.21887	2.1
315.21396	2.1
339.29047	5.8
341.10648	2.8
365.25073	2.6
383.27942	2.2
384.28082	10.3
391.26514	4.1
393.24530	2.9
401.29080	6.2
402.29221	18.1
563.39050	3.5
581.40057	17.0
599.41162	100.0
600.41083	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	599.409
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
55.05510	11.5
57.03432	3.5
57.07078	4.4
65.03933	3.3
67.05498	14.3
69.03410	3.8
69.07053	11.3
69.34074	5.4
69.34483	23.3
79.05476	13.1
81.07053	22.1
83.04974	5.3
83.08607	8.1
85.06555	2.9
91.05464	19.7
93.07041	36.0
95.04971	8.5
95.08612	22.5
97.06546	6.2
97.10180	3.0
105.07025	39.0
107.08592	22.5
109.06531	6.0
109.10141	15.6
113.09621	2.8
117.07011	5.8
119.08569	34.7
119.09348	3.6
121.06500	5.3
121.10135	50.2
123.04440	3.3
123.08086	15.5
123.11687	5.7
125.09641	4.7
128.06227	2.8
129.06990	6.0
130.07753	4.2
131.08540	19.3
133.06494	5.8
133.10103	21.0
135.08084	7.1
135.11710	8.9
137.09631	9.0
139.11208	3.4
142.07784	7.2
143.08566	15.1
145.10118	24.9
147.08076	10.4
147.11708	6.6
149.09605	21.9
151.07549	20.7
155.08598	6.9
156.09322	6.0
157.10132	21.7
159.08089	7.7
159.11693	13.6
161.09590	6.3
161.13275	6.2
163.11174	6.0
165.09090	13.4
167.07056	8.1
167.10677	70.0
169.10187	11.0
170.10950	2.9
171.11673	13.4
173.09668	7.4
173.13246	12.6
175.11176	3.0
175.14838	5.7
181.10155	7.4
181.12367	6.5
182.10826	3.7
183.11716	11.7
185.09561	3.2
185.13315	7.2
187.14861	6.2
189.12852	5.8
191.14272	4.8
193.10120	4.8
194.10869	3.7
195.11777	7.8
196.12486	6.2
197.13326	9.3
199.11171	4.8
199.14890	5.3
201.12840	3.1
203.14304	6.3
205.15845	2.7
207.11734	6.7
207.13843	8.6
208.12473	6.5
209.13327	10.3
211.14865	7.3
213.16312	4.1
215.14331	6.8
219.11800	3.5
221.13362	5.0
221.15309	28.1
223.14821	6.2
225.12871	4.4
233.13269	5.8
233.15323	23.0
235.14760	3.6
237.16440	3.4
241.15948	3.1
247.14880	4.4
251.17769	3.6
262.17267	2.8
277.15799	2.8
299.20053	5.8
365.24884	3.5
377.24564	2.6
390.24744	2.7
391.26202	5.4
393.24527	4.6
401.94937	2.8
419.29520	3.3
425.31317	3.5
563.38257	4.2
571.41809	3.0
581.39655	25.1
581.47949	3.0
599.40967	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	599.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05497	4.7
55.48773	0.7
57.07071	7.3
59.04959	2.7
65.03918	1.1
67.05486	9.0
69.03427	7.9
69.07049	4.4
79.05480	8.0
81.03388	0.9
81.07052	15.0
83.04976	4.3
83.08576	2.1
84.91177	1.8
85.06535	4.5
91.05473	14.6
93.06487	1.2
93.07040	20.0
95.04964	8.0
95.08051	1.1
95.08599	12.7
97.06538	3.9
103.05440	1.2
104.96067	0.8
105.07023	23.8
107.04947	1.1
107.08583	13.5
109.06510	8.5
109.10148	5.7
111.08035	1.6
115.05414	1.2
117.06999	5.3
119.08572	26.8
121.06507	4.6
121.10128	14.7
123.08067	14.1
123.11681	1.6
125.05955	3.4
128.06175	3.3
129.06990	5.9
130.07709	2.7
131.08553	11.7
131.97357	0.7
133.06487	1.8
133.10123	15.6
135.08044	11.3
135.11681	4.8
137.05925	1.3
137.09612	13.6
139.07489	1.5
141.06960	2.1
142.07736	6.0
143.08545	10.1
144.09294	2.3
145.06422	1.0
145.10121	17.8
147.08031	26.1
147.11671	4.1
149.09613	5.0
149.13295	0.8
151.07518	9.3
153.07008	1.3
154.07677	1.0
155.08511	6.6
156.09346	5.8
157.10109	18.8
159.08025	4.4
159.11670	9.5
160.12471	0.8
161.09634	4.3
161.13240	5.8
162.10327	0.9
163.07600	0.8
163.11185	8.5
165.09100	50.8
167.08524	3.5
167.10637	3.8
168.09305	2.9
169.10117	9.4
170.10957	3.7
170.12239	0.8
171.08095	1.3
171.11687	8.9
173.09596	5.4
173.13254	4.3
175.11154	2.2
175.14830	1.9
177.09061	2.6
179.08588	1.1
179.10599	1.1
179.14230	1.0
180.09256	1.2
181.10141	4.7
181.12233	8.3
182.10904	1.8
182.83981	0.8
183.11649	11.4
184.12506	1.1
185.09627	2.3
185.13226	7.6
187.11160	3.5
187.14766	1.6
189.12706	4.1
191.10681	3.9
192.09418	1.0
193.10107	2.7
194.10886	1.4
195.11684	5.7
195.13527	1.5
196.12395	1.8
197.09691	1.1
197.13272	5.7
199.11121	2.5
199.14809	1.0
201.12715	1.9
201.16359	1.0
203.14302	17.7
205.10146	0.9
207.11671	3.2
207.13805	5.9
208.12442	1.1
209.09627	0.7
209.13214	4.8
209.15195	1.6
211.11095	1.5
211.14789	5.2
213.12726	2.4
215.14328	2.2
221.15337	100.0
223.11134	1.0
223.14822	2.6
225.12671	2.3
225.16380	1.7
227.14227	1.8
227.17868	1.1
229.15814	1.7
229.76834	1.1
231.11693	1.3
231.13773	1.9
233.13275	1.9
233.15376	4.9
234.14075	0.8
235.14769	1.8
237.12744	1.2
237.16257	1.1
239.14314	1.6
239.17860	1.5
247.14555	1.5
247.16939	17.3
249.16405	1.0
251.14134	1.3
255.13803	1.1
259.14761	0.8
261.16379	1.3
263.17871	1.8
269.19125	0.8
281.18903	2.3
285.18689	1.1
287.20078	6.7
299.20093	5.8
301.21558	1.9
309.18317	0.9
311.20047	1.4
313.21625	2.4
325.21692	1.6
327.23181	2.1
335.20258	1.0
339.27802	0.9
365.24579	4.5
377.24677	1.0
391.26373	11.2
413.26804	1.2
419.29510	3.4
427.28287	5.6
507.34848	8.3
519.34790	4.0
581.39844	3.9
587.66449	0.9
599.40900	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	599.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
55.01868	2.7
55.05509	16.5
57.03432	4.1
57.07071	5.0
59.05003	2.2
59.31458	1.2
61.03219	1.3
62.06052	1.3
65.68536	1.4
67.05501	32.7
69.03424	12.7
69.07070	19.5
69.67722	1.9
69.68122	10.1
70.06577	1.7
71.01347	2.6
71.04994	3.0
71.08627	2.3
72.08168	1.6
73.02908	8.9
79.05491	21.5
81.03417	4.0
81.07052	54.4
83.01321	2.3
83.04990	2.2
83.08612	10.0
85.02897	23.2
85.06527	2.0
87.04482	1.9
91.05461	22.6
93.07038	47.1
95.01352	5.3
95.04994	4.9
95.08602	100.0
97.02902	5.8
97.06531	3.3
97.10184	5.0
98.20825	2.8
99.04488	1.9
99.08089	1.6
101.02389	4.4
103.03973	4.6
105.07023	52.4
107.04916	1.6
107.08590	78.4
109.02888	4.0
109.06548	4.9
109.10149	71.2
109.10915	2.1
111.08070	7.7
111.11731	1.7
113.02380	3.0
117.07008	7.1
119.08575	68.9
121.06522	1.5
121.10137	62.7
122.10527	1.6
123.04426	1.9
123.08041	2.7
123.11687	23.9
125.06053	1.2
125.09637	4.0
127.03913	3.5
128.91844	1.5
129.07047	3.8
131.03442	1.6
131.08569	20.7
133.06525	1.5
133.09109	3.0
133.10123	62.2
135.08078	2.5
135.11685	48.7
135.12695	2.7
137.05954	2.6
137.09570	2.3
137.13205	8.3
139.11195	6.6
141.01822	11.4
141.07066	2.8
142.07800	2.4
143.08562	9.2
145.10117	30.7
147.04471	3.9
147.11681	38.7
147.12767	2.5
149.09669	2.0
149.13245	33.2
149.26141	1.6
151.03951	2.4
151.07510	2.0
151.11179	3.0
151.14809	3.7
155.08528	2.5
156.09355	2.3
157.10121	12.0
158.11005	1.7
159.02910	3.3
159.04338	2.4
159.08102	1.6
159.11681	33.2
161.06061	2.6
161.09734	1.8
161.13251	38.4
163.11214	3.3
163.14806	24.3
165.09116	1.5
165.12782	4.2
167.07039	17.0
169.10162	2.5
171.11636	8.8
173.13258	31.7
173.14644	1.9
175.12546	1.5
175.14839	33.6
177.12830	2.9
177.16371	24.4
177.17792	2.0
179.18060	1.8
181.10023	1.4
183.11740	5.4
185.13275	10.2
187.07672	1.7
187.14799	21.9
189.12793	2.1
189.16377	34.1
191.14359	4.5
191.17950	15.0
193.15944	4.7
195.02876	3.8
195.11797	1.8
197.13232	3.6
199.11212	2.0
199.14795	10.0
201.16367	27.7
203.14583	2.3
203.17949	50.3
205.15887	2.9
205.19403	6.9
207.17415	6.6
209.13292	1.9
211.14731	2.4
213.05522	6.2
213.16373	12.3
215.17928	26.8
217.08617	1.5
217.19482	26.5
219.17421	14.7
221.19035	6.2
225.16515	3.1
227.17900	11.9
229.19495	36.4
231.21127	4.5
233.19023	10.6
239.17902	2.9
241.19485	9.5
243.21063	7.1
245.19090	5.0
247.06313	1.6
247.20592	20.1
253.19566	5.1
255.21017	7.6
257.22690	9.7
259.20663	3.5
261.22192	2.2
267.21063	3.6
269.22626	7.7
271.20612	1.6
271.24225	4.3
273.22079	3.3
275.23788	4.9
281.22705	4.6
283.24335	4.0
287.23761	4.9
290.71091	1.5
293.04587	4.9
295.24194	2.8
301.25418	2.1
309.04367	1.8
309.07782	1.9
309.25919	1.9
311.05353	10.2
311.15042	3.3
311.27234	2.7
313.25259	3.4
327.26797	1.9
333.16846	1.6
337.07013	2.1
337.10757	1.9
339.08749	3.2
345.07574	2.3
347.09283	7.6
349.10989	1.5
350.08069	2.3
351.12402	5.6
351.17947	8.7
361.10797	3.2
363.08722	3.3
365.10193	23.6
365.19684	5.4
365.32196	4.5
367.12024	2.2
377.10223	3.4
377.19553	2.6
379.21243	5.6
381.09714	2.1
381.31387	2.1
391.15668	2.3
391.20996	2.4
401.13940	2.2
405.13348	1.7
405.35056	25.1
407.15237	2.1
419.14890	28.1
419.23846	2.1
420.15359	2.5
421.34763	5.0
423.36237	41.4
437.15939	53.9
438.16391	6.4
441.37207	11.6
527.15662	2.3
563.37335	2.1
581.19946	6.4
581.38312	31.6
599.21179	47.4
599.39819	38.0
600.22113	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	599.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01857	0.3
55.05497	0.3
55.39097	0.2
57.03409	0.3
61.02897	0.2
64.16583	0.2
65.03920	0.3
67.05475	0.6
69.03419	1.2
70.19509	0.6
70.19926	0.5
71.04984	0.3
72.08152	0.2
78.04713	1.4
79.05501	1.1
81.03388	0.8
81.07053	1.0
83.04960	0.4
84.08115	0.2
85.02902	1.7
87.04433	0.2
91.05459	1.1
93.07045	1.1
95.04976	1.0
95.08610	0.6
96.71538	0.2
97.02880	0.9
99.04415	0.3
103.05463	0.4
105.07016	1.4
106.04153	0.9
107.04964	1.4
107.08593	0.4
109.02882	1.0
109.06520	0.5
109.10132	0.4
115.05424	0.3
117.07003	0.4
119.04917	0.4
119.08581	0.7
121.02856	0.4
121.06490	0.8
121.10126	0.5
122.03627	0.3
123.04427	4.4
123.08060	0.3
124.05222	1.7
125.05963	0.5
125.09621	0.2
127.03895	1.2
129.07051	0.2
131.04932	0.4
131.08530	0.4
133.06490	1.0
133.10126	0.6
134.03618	0.4
135.04451	0.3
135.11751	0.3
137.05980	3.0
141.01808	0.2
145.06479	0.5
145.10132	0.2
145.24387	0.2
147.04370	0.8
149.05977	0.9
149.09630	0.6
151.03874	1.1
152.04663	1.2
159.08025	0.4
159.11653	0.3
160.05161	0.2
161.05968	0.7
161.13245	0.3
161.87436	0.2
167.07027	100.0
168.07361	1.4
173.05952	0.4
174.06726	0.3
175.07480	1.0
177.05394	0.2
179.06996	0.5
181.04977	0.3
181.08565	0.8
184.05225	0.2
187.07521	0.7
189.09003	0.2
189.12761	0.6
191.06958	0.3
193.08601	4.4
201.05479	0.2
205.08630	0.8
207.06480	0.3
207.13817	0.6
209.08092	0.3
211.09622	3.9
213.05568	0.6
217.08578	0.7
219.10139	0.3
221.07829	0.3
229.04948	0.3
235.09625	0.3
241.08533	0.2
249.08858	0.2
251.06796	0.2
255.06433	0.3
261.09079	0.4
285.07663	0.6
287.31207	0.3
289.08884	0.2
293.04489	0.4
295.06018	0.4
295.09329	0.3
300.09973	0.7
307.05896	0.5
309.03992	0.7
311.05469	2.3
313.10693	0.2
321.07605	0.8
321.11166	0.2
323.05545	0.5
325.06940	0.4
331.09659	0.4
333.07632	0.3
335.09216	0.2
336.06232	0.4
337.07010	0.3
337.10718	0.7
343.09445	0.6
345.07745	1.1
346.08060	0.3
347.08978	0.6
349.10846	1.0
350.07712	0.3
351.08603	0.8
353.13806	0.4
361.10712	3.1
363.08572	2.8
363.12460	0.6
365.10211	6.4
371.14914	0.8
377.13867	1.0
379.11835	0.3
381.09528	0.9
391.15555	2.3
401.13483	0.5
407.11517	0.4
419.14767	1.6
437.16043	2.7
523.15967	0.6
525.13776	0.3
527.15564	3.2
539.19379	0.3
553.20959	0.5
581.19971	1.6
599.21100	12.2
600.21210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03843	0.7
55.01791	0.4
55.05431	0.3
57.03318	2.2
57.03640	0.9
57.09840	0.2
61.02800	2.3
61.03148	0.7
67.05373	1.1
69.03294	8.6
69.03719	2.1
70.12287	1.3
71.01257	0.4
71.04868	0.9
71.91764	0.3
73.02777	1.8
73.03233	0.5
74.19184	0.2
77.95536	0.3
79.05387	0.5
81.03274	3.5
81.03795	0.5
81.06903	1.0
83.01238	0.3
85.02755	19.2
87.04322	1.5
91.03813	0.8
91.04309	0.3
91.05339	0.7
93.06949	0.4
95.04848	0.4
95.08452	0.9
96.71227	0.3
97.02731	5.9
99.04302	1.6
101.02262	0.7
103.03759	0.8
103.04362	0.3
103.05296	0.3
105.06887	0.7
107.04790	1.0
107.08492	0.4
109.02713	2.7
109.10036	0.4
109.14392	0.2
115.03800	0.6
119.04785	0.7
119.08476	0.7
121.02695	1.3
121.06375	0.4
121.09982	0.6
121.10867	0.3
123.04288	0.4
123.82039	0.2
123.84315	0.3
125.05888	0.4
127.03738	3.7
131.04823	0.5
133.02699	0.3
133.09996	0.4
135.04300	0.4
135.11493	0.3
145.02734	0.4
145.04787	1.5
145.06140	0.4
147.04224	0.7
147.11525	0.4
159.04305	0.3
159.11526	0.4
161.02242	0.6
161.05815	0.5
161.13071	0.4
163.03758	0.5
167.07030	2.3
169.06335	0.4
177.05414	0.4
183.07915	0.3
185.05786	0.3
189.01807	0.5
191.03204	1.0
191.06824	0.3
192.07684	0.3
193.08453	0.4
197.05835	0.4
201.01833	0.4
203.06918	0.4
207.02736	0.8
207.13747	0.3
211.07484	0.4
215.03336	0.4
223.07294	0.3
225.05296	0.6
234.06532	0.3
243.06390	0.3
244.08650	0.9
253.08485	0.4
259.07422	0.3
259.11011	0.5
263.06943	0.7
267.06396	0.8
268.07236	0.7
272.08191	0.6
277.08572	0.3
279.06482	0.7
279.10397	0.3
280.07114	0.3
281.08017	1.7
283.05841	0.7
287.10693	1.3
289.08493	0.5
290.09451	0.3
291.06497	1.4
291.09241	0.3
292.07159	0.3
293.07993	1.0
294.05258	1.9
295.05841	1.9
295.09134	0.6
296.06708	1.1
297.07565	1.9
300.07593	0.6
303.10107	0.7
305.08096	0.4
305.11639	0.4
307.05994	13.8
307.09299	0.6
308.06732	1.4
308.09967	0.3
309.03815	1.1
309.07446	2.9
311.05453	3.1
313.07016	0.5
315.09940	0.7
317.07916	0.9
318.08878	1.6
319.05920	3.0
319.09625	1.1
320.06589	0.8
321.07553	9.4
322.08170	0.5
323.05511	0.7
323.09015	1.2
324.06287	2.1
325.07001	7.6
331.06036	0.4
331.09619	0.8
332.06656	0.4
332.10446	1.1
333.07465	1.1
333.11163	1.9
334.08182	0.4
335.09097	5.5
336.09805	2.2
337.06961	3.9
337.10733	0.9
339.04718	0.5
339.08582	7.1
343.09576	6.2
345.07498	0.8
346.08282	1.0
347.09140	0.7
348.06274	2.6
349.06876	1.0
349.10693	1.4
350.07620	0.4
350.11545	0.7
351.08411	1.0
351.12189	4.7
352.09052	0.3
359.09082	0.3
361.10669	29.9
362.11145	0.4
363.08566	7.7
364.09155	0.6
365.10147	6.2
367.08347	0.8
377.09763	0.6
377.13812	1.0
379.11725	100.0
380.11987	1.3
381.09641	0.9
391.15460	2.0
393.13281	0.4
395.14899	0.8
401.13806	0.4
403.11621	1.6
407.11432	0.6
409.11148	0.3
409.16611	0.3
419.14850	8.8
421.12823	4.1
437.15918	37.1
445.12839	0.9
479.17065	1.2
513.17346	0.5
523.15930	2.0
525.13770	1.2
541.17017	11.2
543.15051	0.5
555.18549	0.5
581.20227	4.3
588.92456	0.4
599.21356	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	599.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
54.62634	0.4
55.01828	0.8
55.05461	1.1
57.03412	0.8
58.15395	0.4
61.02901	0.9
65.03915	0.7
67.05501	3.1
69.03416	3.5
69.07014	1.3
70.41714	0.3
71.04957	0.8
71.63923	0.5
73.02873	1.1
74.16019	0.4
79.05482	2.8
81.03407	2.9
81.07051	5.0
83.04930	0.7
83.08582	0.6
85.02895	5.3
91.05466	2.6
93.07035	2.8
95.01324	0.5
95.04910	1.4
95.08600	4.0
97.02882	2.6
105.03353	0.5
105.07013	3.1
107.04981	1.8
107.08578	4.3
109.02803	1.3
109.06496	2.0
109.10143	2.2
111.07980	0.8
117.06966	1.1
119.04911	0.9
119.08564	3.4
121.02806	0.8
121.06470	0.4
121.10129	2.7
123.04407	2.5
123.11650	1.1
125.39674	0.4
127.03827	1.4
128.06172	0.4
129.06923	1.2
131.04849	0.6
131.08601	1.8
133.06461	0.4
133.10126	2.7
135.04362	1.4
135.08058	2.3
135.11630	1.3
137.02283	1.2
139.03865	0.7
141.01746	0.6
141.06903	0.4
143.08488	1.2
145.06450	0.9
145.10106	0.9
147.04347	0.6
147.08005	0.7
147.11693	1.8
149.02354	0.6
149.05914	0.7
149.09557	0.9
149.13129	0.5
151.03867	1.3
155.08472	0.6
156.09335	0.6
157.06410	0.7
157.10057	1.6
159.04341	1.3
159.08025	1.0
159.11604	1.3
161.02299	2.4
161.05971	0.7
161.09499	0.5
161.13231	0.9
163.07445	0.6
163.14749	1.6
167.06987	1.6
167.08656	0.4
169.06401	0.7
171.08052	0.7
171.11635	0.7
173.05913	0.6
173.09541	0.8
173.13225	1.0
175.07463	0.7
175.14810	1.5
177.05392	0.5
177.16336	1.1
181.06339	0.6
183.11604	0.4
185.05977	0.4
185.13213	0.5
187.07491	0.8
187.14812	0.8
189.01741	1.1
189.05443	0.7
189.12691	1.3
189.16333	1.1
193.10112	0.7
193.12219	0.5
195.02852	1.2
195.08063	0.4
196.08858	0.6
197.05930	1.0
197.09555	0.4
199.07483	0.8
199.14676	0.4
201.05421	0.9
201.09119	0.6
201.16411	0.7
203.03308	0.9
203.06952	0.7
203.17938	0.9
207.02864	1.2
209.09583	0.6
211.11082	0.6
213.05457	2.8
215.06947	0.9
215.17844	1.0
217.05014	0.5
217.12094	0.5
219.06429	0.5
224.08318	0.7
225.05420	1.2
225.08978	0.5
227.07068	1.1
227.10555	0.5
229.04865	1.2
229.19521	0.9
231.06448	3.0
237.05431	0.5
239.06923	0.6
239.10651	0.6
241.05009	0.4
241.08521	0.5
243.06480	2.3
243.10010	0.6
243.21066	0.7
249.07295	0.7
251.07074	0.7
255.06570	0.8
257.11768	0.6
263.10745	0.4
267.10095	2.7
269.08014	0.6
269.22586	1.3
273.07617	0.5
277.08563	0.7
283.15118	7.1
285.08081	0.7
285.11191	11.6
289.08401	0.9
293.04321	1.5
295.06021	0.4
301.08603	0.5
305.07794	0.5
311.05557	2.9
312.11490	0.4
315.09930	0.5
317.07944	0.4
321.07428	0.4
325.03394	0.5
329.08093	0.7
330.08850	0.5
331.13245	0.8
335.09082	1.0
337.06964	0.8
339.17862	3.5
341.08081	0.5
343.09671	0.8
345.07513	0.6
347.09067	3.7
349.10437	0.6
349.14246	0.8
351.08536	0.7
353.10114	0.9
359.08936	1.8
361.10516	1.0
363.08511	1.3
365.10193	7.9
367.11563	0.4
371.09097	1.1
373.14539	0.5
377.09933	2.2
377.14148	0.4
379.11948	0.8
381.09427	0.6
383.12607	1.3
385.10675	0.7
386.11505	0.8
391.15802	0.5
401.13779	8.4
404.12598	1.0
405.35196	1.7
419.14859	65.1
420.15103	1.1
437.15927	100.0
438.16458	1.2
493.29379	0.4
497.14160	0.4
581.20123	3.9
599.21106	6.4
599.33917	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	599.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.9
53.04095	0.4
55.01808	1.2
55.05451	1.1
56.02134	0.5
56.95292	0.4
57.03360	2.0
59.04915	3.7
59.05243	1.1
61.02845	2.2
65.03867	0.6
67.05418	2.4
68.99744	0.5
69.03338	10.4
69.03751	1.1
69.06988	1.3
69.71423	3.6
71.04907	1.5
71.05264	0.4
72.08087	0.8
73.02832	2.3
75.57245	0.4
79.05396	1.7
81.03323	4.8
81.06958	2.9
83.01258	0.6
83.04903	1.0
83.08530	0.5
85.02806	15.8
85.03357	1.3
85.06454	0.9
87.04374	1.3
89.28379	0.5
91.05467	3.2
93.06940	3.2
95.04873	2.1
95.08599	3.7
97.02882	7.0
97.10065	0.6
99.04353	2.1
99.04974	0.7
101.02281	0.5
103.03900	1.0
105.07017	3.0
107.04835	2.0
107.08593	2.6
109.02875	3.5
109.06422	1.2
109.10162	2.8
111.04388	1.0
117.06925	1.1
119.04828	2.0
119.08463	2.2
121.02859	3.0
121.06445	0.8
121.10018	2.1
123.04404	2.5
123.05076	0.5
123.07970	1.4
123.11645	1.2
125.05888	1.1
125.09502	0.8
127.03922	4.7
128.06078	0.8
131.04881	0.6
131.08446	1.4
133.02740	0.8
133.06406	0.9
133.09984	1.9
135.04367	1.1
135.07935	1.8
135.11607	0.9
137.02267	0.9
137.05846	2.1
137.09558	1.1
141.06842	0.5
142.07648	0.6
143.08508	1.1
145.02725	0.7
145.04892	0.8
145.06387	1.2
145.10020	1.6
147.04417	2.9
147.07924	0.6
147.11539	1.5
149.05894	1.1
149.09485	2.2
149.13092	0.7
151.03865	0.6
151.07480	1.0
153.01750	0.5
157.10020	1.1
159.04362	1.1
159.07980	0.7
159.11606	1.7
161.13170	1.0
163.03822	0.9
163.11067	0.7
164.10854	0.5
165.06789	0.9
167.07037	9.1
169.06392	0.6
171.04315	0.7
171.11592	1.0
173.05966	0.7
175.03783	0.9
175.14723	0.8
177.05344	1.2
181.04897	0.5
187.07468	0.8
189.05405	0.8
189.12617	1.2
191.14264	0.7
193.08469	0.6
197.05820	1.0
199.07541	0.8
199.14806	0.5
203.06932	0.8
205.08517	0.7
207.02951	0.6
207.06352	0.8
207.09843	0.5
207.13698	1.9
211.07556	0.8
211.09515	0.8
213.05513	3.4
215.06924	1.9
229.04826	1.0
232.08641	0.7
245.09695	0.5
250.06273	0.9
256.75824	0.5
257.09625	0.9
265.08649	1.1
277.08414	0.7
283.05920	1.3
284.11954	0.7
287.10599	1.1
293.08026	0.7
295.05963	6.0
297.07541	0.6
303.09970	2.8
304.93188	0.6
305.11771	0.9
307.05905	4.1
307.09265	0.8
309.07431	1.5
310.04837	1.0
311.05450	1.8
312.11316	0.8
313.06967	1.7
317.08243	0.8
318.08737	2.2
319.06149	1.1
319.09625	2.0
320.06711	0.6
321.07541	4.7
322.08182	0.6
323.09030	2.4
325.06888	4.7
329.07782	0.8
331.06213	0.8
331.09641	8.8
333.07489	2.0
333.11130	1.5
334.08191	2.2
335.09039	1.5
337.06946	2.7
337.10849	1.3
339.08832	1.1
340.10922	0.9
343.09698	4.4
345.07532	0.8
346.08212	0.9
347.09122	15.3
348.09714	1.1
349.07361	1.1
349.10706	15.7
350.07669	1.5
351.08252	1.4
351.12274	1.2
351.49054	0.6
353.10382	0.8
355.13281	0.8
357.11240	0.9
358.11938	0.9
359.08997	2.8
359.12912	1.1
360.10037	0.9
361.10745	8.9
363.08322	1.3
363.12167	5.7
364.09116	1.1
365.10162	27.9
366.10257	1.4
367.09662	0.6
368.10529	1.2
371.09097	2.2
373.10202	1.1
373.14316	1.5
377.10040	2.9
379.11670	2.3
381.09549	1.6
383.12802	14.4
385.10471	1.5
386.11288	1.9
389.09851	1.4
391.11615	1.7
391.15616	1.4
401.13846	40.0
403.11697	1.0
404.12540	0.8
417.13797	0.7
419.14825	70.1
420.15405	1.3
425.13895	1.3
437.15912	16.7
443.14899	1.8
461.16055	3.4
509.14551	0.7
511.16147	3.0
525.17584	3.3
527.15564	7.9
563.19409	3.0
581.20172	100.0
582.20441	2.5
599.21387	33.4
600.20917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54650	0.4
53.03910	0.9
55.01832	0.8
57.03379	1.7
61.02861	1.9
67.05444	1.2
69.03428	7.2
69.68939	3.2
73.02884	1.0
79.05445	0.5
81.03404	2.5
84.56059	0.4
85.02896	11.4
87.04399	1.4
91.03912	0.7
91.05453	0.4
92.50075	0.4
95.04922	0.9
97.02878	4.5
99.04395	1.0
101.02313	0.6
101.22907	0.4
101.29410	0.4
101.84779	0.4
105.06957	0.5
109.02804	1.4
111.45750	0.4
123.04363	1.3
127.03938	3.0
135.04393	0.7
137.02333	4.1
137.03313	0.8
145.04869	0.8
149.02280	1.0
149.27664	0.5
151.03929	2.2
159.04341	0.7
159.07962	0.5
161.02298	0.6
169.06429	0.7
171.04318	0.8
171.07939	0.8
189.05354	0.9
197.05928	0.7
202.07797	0.6
203.06998	0.7
208.08730	0.7
211.07512	1.1
213.05431	2.5
215.03404	0.6
219.08246	0.5
222.52013	0.5
225.05363	0.9
225.08932	0.6
227.07091	0.5
229.09988	0.6
245.09610	0.9
248.08345	0.6
251.07071	0.5
253.08517	0.7
267.10104	1.4
275.10498	0.5
285.09006	0.7
291.09970	0.8
303.10101	0.6
305.08105	0.5
311.05453	3.7
315.09918	0.6
319.09384	2.5
321.07471	1.1
323.05426	2.0
324.06180	0.6
331.09622	1.0
333.07397	0.9
334.08417	1.4
335.09058	2.0
337.07037	3.0
343.09586	0.9
345.14880	0.6
347.09119	11.2
349.06915	1.0
349.10776	1.6
351.08731	1.3
353.10358	1.0
357.11209	0.7
358.12067	0.8
359.09045	4.2
359.12582	0.5
361.06787	1.0
361.10742	1.8
363.08511	1.8
364.09323	1.1
365.10159	17.9
368.10336	0.6
371.09094	3.5
372.10092	0.9
373.10541	1.0
375.08319	0.9
375.12561	1.0
377.09973	3.8
383.12576	2.3
385.10648	2.0
386.11545	1.7
389.10110	1.9
391.15375	1.5
401.13867	11.2
403.11694	1.5
404.12622	1.3
418.14105	1.3
419.14856	100.0
420.15393	0.7
437.15930	95.7
438.16315	1.7
461.16028	1.7
479.17291	1.2
581.20111	12.9
599.21179	44.6
600.21271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38756	0.3
53.03909	1.5
55.01851	1.0
55.05486	0.7
57.03432	2.6
59.04966	0.9
61.02921	2.9
67.05494	2.5
69.03419	11.8
69.07018	1.6
71.01337	0.4
71.04976	2.3
73.02898	2.4
79.05490	2.3
81.02983	0.4
81.03405	5.3
81.07045	3.5
82.42143	0.4
83.01304	0.7
83.04954	0.6
83.08600	0.5
85.02896	16.1
87.04459	2.5
91.03905	1.0
91.05435	1.4
93.07023	1.7
95.01331	0.4
95.04932	1.3
95.08585	2.4
97.02266	0.4
97.02881	6.6
97.06474	0.8
98.21502	0.8
99.04400	1.4
101.02316	0.8
103.03859	0.5
103.05451	0.4
105.07030	2.5
107.04894	1.7
107.08591	2.1
109.02875	3.1
109.06496	0.9
109.10090	1.4
111.04419	0.3
112.06364	0.3
113.34338	0.4
115.03936	0.5
115.05379	0.5
117.06995	0.5
119.04879	0.4
119.08565	2.4
121.02763	0.5
121.06455	0.7
121.10085	1.5
123.04390	2.3
123.08028	0.8
124.24386	0.4
127.03889	3.7
129.06963	0.9
129.12521	0.3
131.08539	1.6
133.02776	0.4
133.06415	0.7
133.10078	2.2
134.03435	0.3
135.04366	1.4
135.08015	0.6
135.11639	0.8
137.02333	2.6
137.05968	0.8
141.01796	0.4
143.08546	0.8
145.04913	1.6
145.06322	0.3
145.10039	0.7
147.04338	0.7
147.08060	0.5
147.11627	1.7
149.09583	1.2
149.13272	0.4
151.03867	0.8
157.06377	0.8
157.10092	1.1
157.61926	0.4
159.04379	0.8
159.08015	0.5
159.11652	0.8
161.02400	0.9
161.05849	0.4
161.13263	0.8
163.14702	1.0
165.12590	0.4
167.07028	0.9
169.06467	0.9
169.10129	0.4
171.07858	0.6
171.11572	0.7
173.06010	0.6
173.13213	0.9
175.14746	0.8
177.01741	1.1
177.05452	0.6
177.16417	0.6
179.03381	0.5
183.04333	0.4
185.05965	0.4
187.03850	0.5
187.07515	0.8
187.14827	0.8
189.16174	0.5
193.12254	0.4
195.02872	4.3
197.06084	0.4
199.07491	0.5
201.05441	0.6
201.16261	0.5
203.03365	0.4
203.17883	0.8
205.04933	2.3
207.13826	0.8
209.09634	0.7
213.05406	2.2
215.06851	0.5
215.17943	0.5
221.09621	0.5
223.05905	0.8
224.08334	0.5
225.05441	1.1
227.07007	0.9
229.04880	2.2
231.06538	1.2
233.09549	0.7
233.11470	0.4
237.05450	0.8
237.09073	0.4
239.07065	0.5
243.06360	0.7
255.06442	1.1
257.04404	0.5
261.09061	1.2
265.05023	0.8
265.08493	0.4
267.10062	1.4
269.22842	0.6
271.06091	0.5
279.10144	0.8
283.05911	1.3
283.15094	9.2
283.20044	0.4
285.11209	4.7
289.08731	0.6
290.09134	0.6
292.07468	0.4
293.04462	1.0
293.08069	0.9
295.05789	0.8
299.05444	1.5
305.07813	0.5
307.06268	0.5
307.09610	1.7
309.07462	1.0
309.11200	2.0
310.04761	1.4
311.05450	94.8
312.05814	1.3
313.06992	0.4
317.08017	0.9
318.08765	0.5
319.09561	0.9
320.06595	0.5
321.07559	1.2
323.05557	0.8
323.08820	0.7
325.03336	1.2
325.07040	1.2
327.04926	0.9
329.07858	0.6
331.09479	0.8
333.07455	0.7
333.11002	0.4
334.08063	0.7
335.05353	0.6
335.09085	6.8
337.06845	1.1
337.10669	4.4
339.08701	3.2
339.17676	4.7
345.07507	3.2
347.09116	2.1
348.06439	0.6
349.10580	1.2
349.14468	0.4
350.08060	0.5
351.08557	1.9
351.12466	0.8
353.06396	1.9
353.10205	11.1
357.11127	0.4
359.09012	1.5
361.10712	1.6
362.07697	0.5
363.08557	32.3
364.09213	0.5
365.10220	7.2
367.11679	1.4
369.09732	0.4
371.09088	1.8
373.10385	0.5
377.10095	2.0
379.11710	3.4
381.09576	5.6
383.12762	1.1
385.10834	0.7
386.11237	0.6
389.10068	0.9
393.13290	0.7
394.13678	1.0
395.13995	3.0
401.13809	6.1
403.11386	0.7
404.12061	1.5
405.09140	0.6
405.34940	1.1
406.14297	0.5
417.12976	1.1
418.13727	1.9
419.14789	61.0
420.15164	0.6
437.15894	100.0
438.16415	0.8
461.15958	0.8
479.16962	1.2
525.14227	0.5
527.15576	2.2
543.14777	1.4
581.19983	43.0
599.21118	38.4
599.33844	54.9
600.21423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34030	0.3
53.03861	0.8
53.04084	0.5
55.01785	0.6
55.05431	0.4
57.03326	1.5
57.03631	0.5
59.04905	0.5
61.02808	1.9
61.03164	0.6
64.17650	0.3
67.05384	1.7
67.05769	0.6
69.03307	8.4
69.03731	1.7
69.06973	0.7
71.01250	0.4
71.04896	0.7
73.02790	1.5
77.93618	0.4
79.05361	1.1
79.05760	0.4
81.03286	3.1
81.06918	1.9
83.04881	0.5
83.08508	0.7
84.08022	0.5
85.02765	13.1
85.03336	1.7
87.04327	1.3
87.33994	0.4
91.05338	1.1
93.06915	1.5
95.04848	0.8
95.08470	1.9
97.02750	5.2
98.20733	0.9
99.04312	1.3
101.02257	0.5
103.03787	0.4
103.05333	0.7
105.06876	1.7
107.04842	0.7
107.08437	1.3
109.02718	2.9
109.06391	0.8
109.07053	0.3
109.10034	1.1
115.03784	0.4
116.53033	0.3
117.06867	0.6
119.04852	0.6
119.08432	1.4
121.02731	0.5
121.06414	0.4
121.10020	1.0
123.04272	1.9
123.07956	0.5
123.11562	0.7
127.03905	3.9
128.06084	0.5
129.06894	0.4
131.04826	0.6
131.08443	0.8
133.02769	0.5
133.06311	0.4
133.09955	1.0
134.03427	0.5
135.04271	1.0
135.07982	0.5
135.11560	0.9
137.02315	3.6
137.05779	1.0
143.08429	0.7
145.04785	1.2
145.06277	0.5
145.10060	0.6
147.04314	0.7
147.11574	0.8
149.02193	0.8
149.05869	0.4
149.09499	0.8
151.03905	2.2
153.05354	0.4
155.08401	0.6
157.06413	0.5
157.09979	0.7
159.04283	0.8
159.11565	0.7
159.90570	0.3
161.02187	0.8
161.13155	0.6
162.24803	0.3
163.03818	0.5
163.14735	0.5
166.92664	0.4
167.07050	3.9
167.08322	0.5
169.06346	0.5
171.07835	0.5
171.11534	0.6
173.05843	0.6
173.13148	0.5
173.25052	0.3
174.06650	0.4
175.07368	0.5
175.14665	0.5
179.03352	0.6
179.08438	0.5
180.09232	0.4
181.09924	0.5
183.07957	0.5
187.07349	1.0
187.14662	0.4
189.05342	0.8
189.08989	0.5
189.12643	0.6
189.16235	0.7
193.10014	0.4
195.02827	0.5
195.08015	0.4
197.05861	0.6
197.09450	0.4
199.07439	0.5
201.16255	0.9
203.17868	0.5
207.06200	0.6
207.13666	0.9
208.08768	0.5
209.09354	0.4
211.07399	0.9
213.05469	3.5
213.12399	0.5
215.06828	0.4
215.17819	0.6
217.08307	0.4
217.10153	0.4
223.07515	0.4
223.11098	0.4
225.05367	0.6
225.08981	0.8
225.16348	0.4
226.09767	0.4
227.06918	0.6
231.06305	0.4
235.07262	0.6
235.11087	0.4
237.09018	0.4
241.12038	0.5
243.06454	0.4
245.09448	1.1
248.08145	0.5
249.08977	0.6
251.07297	0.5
251.10503	0.8
253.08391	0.4
267.10059	1.3
273.09064	0.5
275.07071	0.6
279.10031	0.4
281.07938	0.6
290.09189	0.4
291.10001	0.7
293.08008	0.4
295.05927	2.2
295.09213	0.6
297.07510	0.7
301.08405	0.4
303.10019	0.8
305.07956	0.5
307.05896	0.9
309.07233	0.8
311.05530	2.9
317.07944	0.5
319.09781	2.0
321.07465	1.1
321.10794	0.5
322.08289	0.7
323.05386	2.1
323.08948	0.8
324.06161	0.5
325.06961	1.2
329.07870	0.5
331.09415	1.0
333.07458	1.2
333.11087	0.7
334.08200	1.2
335.09134	2.1
336.09769	0.7
337.06958	2.8
337.10608	0.8
339.08633	0.9
343.09476	0.6
345.07574	0.6
345.11401	0.7
346.08347	0.6
347.04813	0.6
347.09106	11.3
348.09729	0.9
349.07138	0.7
349.10599	2.3
350.07645	1.1
351.08435	1.5
351.12238	4.1
353.10132	0.9
355.13275	0.5
357.07413	0.8
357.11377	0.5
358.08209	0.4
358.12094	0.5
359.09076	3.5
359.12881	0.6
361.06879	0.8
361.10611	1.8
363.08514	2.7
363.12250	0.7
364.09186	1.6
365.10147	18.7
371.09058	4.0
373.10300	0.6
373.14340	1.2
375.08133	0.6
375.12216	1.5
377.09940	3.8
379.11578	1.0
383.12854	2.1
385.10654	1.6
386.11215	1.2
387.12296	0.6
389.10040	2.0
390.11011	0.5
391.11536	1.1
391.16040	2.0
393.13370	1.0
401.13809	12.9
403.11694	1.4
404.12436	1.2
418.14233	0.9
419.14862	95.0
420.15314	2.1
437.15933	100.0
438.16360	1.9
461.15921	1.9
479.16986	0.9
505.81485	0.4
513.17816	2.5
527.15900	0.8
531.18866	0.4
563.19049	0.6
581.20197	13.0
581.29309	0.8
599.21332	36.8
600.22101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01854	0.9
55.05490	0.6
57.03432	1.6
57.07057	0.3
59.12829	0.3
61.02924	2.0
67.05491	2.2
68.99762	0.6
69.03421	9.0
69.07037	1.0
69.07374	0.3
69.72935	0.3
69.73268	2.1
71.04958	1.3
73.02917	2.1
79.05482	0.6
81.03410	8.0
81.07059	1.8
83.08572	0.3
85.02895	11.6
87.00814	1.3
87.04439	0.6
91.05451	1.1
93.07023	1.2
94.05806	0.3
95.08591	1.9
95.09509	0.3
96.99712	0.3
97.02882	5.6
98.38165	0.3
99.00825	0.3
99.04440	2.7
101.02380	0.4
103.03934	1.4
105.01843	0.3
105.07034	1.5
107.04935	0.8
107.08559	1.6
109.02129	0.3
109.02866	5.2
109.10115	1.3
111.04342	0.3
112.36779	0.3
115.03928	0.3
119.04931	0.6
119.08585	1.6
121.02832	1.1
121.06512	0.3
121.10149	1.7
123.04393	0.7
123.08095	0.4
123.11682	0.6
125.05968	0.4
127.03057	0.5
127.03902	5.7
131.08537	0.8
133.10106	1.4
135.04456	0.4
135.08012	0.4
135.11668	0.7
137.05972	0.5
139.03905	0.4
145.04933	1.3
145.10091	0.7
147.04387	0.5
147.11650	0.7
149.02303	0.4
149.05951	0.4
149.13225	0.7
159.02878	0.4
159.04352	0.3
159.08081	0.4
159.11649	0.6
161.13261	0.7
163.14787	0.4
165.06940	0.3
167.07025	2.3
169.06360	0.3
171.08018	0.4
173.13306	0.5
175.14806	0.6
183.08020	0.5
187.05988	0.7
187.07533	0.4
187.14790	0.7
189.09093	0.4
189.16367	0.6
191.17949	0.4
195.08199	0.3
197.05997	0.4
199.11029	0.3
200.80179	0.3
201.16380	0.5
203.17793	0.5
207.08144	0.4
207.13826	0.5
211.07535	0.7
213.05524	0.6
217.19502	0.4
225.09273	0.3
229.04910	0.6
239.07098	1.1
245.09569	0.9
248.08127	0.4
251.07036	0.8
253.08427	0.8
255.06741	0.3
259.72168	0.3
262.09912	0.6
263.07034	0.5
267.06497	11.6
269.08124	0.3
274.09851	0.8
277.12137	0.7
279.06509	0.4
281.08075	2.9
283.06027	3.4
285.07513	1.4
290.09482	1.6
291.10101	0.5
293.04898	0.4
293.08163	0.6
294.05209	1.0
295.06256	1.7
295.09222	0.4
296.06619	0.4
297.07544	20.9
298.07877	0.6
305.08279	1.8
305.11328	0.5
307.06006	1.6
307.09485	0.7
308.06720	0.7
309.07541	5.7
309.11053	0.5
311.05780	0.5
311.09293	0.8
317.08194	0.7
318.08719	2.0
319.09671	1.3
320.10501	0.8
321.07547	7.3
321.10913	0.3
322.08395	0.7
323.09106	2.5
323.12695	0.7
325.06961	0.6
333.11163	8.9
335.09222	2.6
336.09955	2.4
337.10541	0.4
339.08624	1.5
347.09204	0.5
349.10739	0.6
350.11682	0.6
351.12234	100.0
352.12628	2.9
353.10129	0.3
361.10608	0.5
363.08710	1.4
365.10168	1.9
366.10614	0.4
375.12204	0.8
379.11893	0.9
381.09787	0.5
393.13297	5.3
395.15280	0.3
405.13388	0.5
405.34961	0.6
417.13257	0.5
419.14941	2.1
422.12662	0.4
435.14658	0.4
437.16092	3.9
513.17487	9.4
514.18231	0.5
555.18561	38.5
556.18988	1.8
581.16333	3.9
599.17474	62.2
600.18103	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3025
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.80302	0.7
53.03946	1.0
55.01851	0.9
55.05508	11.5
57.03441	6.8
57.07061	2.0
62.39651	0.7
64.43262	0.8
65.03934	1.1
67.05498	30.2
69.03413	1.3
69.06721	1.3
69.07062	17.9
70.80501	2.7
71.05000	0.9
71.08598	1.0
79.05477	9.9
81.03405	5.7
81.07047	28.4
83.04948	1.9
83.08607	8.2
85.02878	1.3
85.06541	1.1
91.05477	7.2
93.07034	10.9
95.04953	3.1
95.08597	22.3
97.06508	2.5
97.10147	4.9
98.98460	10.5
99.88059	0.8
105.07017	6.4
107.08583	5.9
109.02868	4.1
109.06506	1.8
109.10143	9.6
111.08109	1.7
117.06945	0.9
117.51746	0.7
119.08585	4.8
121.10109	5.2
123.08028	1.6
123.11682	3.5
125.09575	0.9
127.03924	1.6
129.07001	1.1
131.08519	1.4
133.03448	1.0
133.10107	4.8
135.11681	3.3
137.09621	1.1
137.13281	1.2
138.86086	0.8
143.01947	1.1
143.08557	1.4
145.10074	2.2
147.08023	1.4
147.11665	3.3
149.09656	0.9
151.07501	0.9
153.12691	1.4
155.01019	2.3
155.10616	0.7
156.09315	0.8
157.10086	2.0
159.11664	1.7
161.02933	1.2
161.09613	1.1
161.13239	2.1
163.05997	1.0
165.09155	0.8
167.10661	1.0
171.11746	1.4
171.34532	0.8
175.14822	1.5
183.11700	1.2
185.13298	0.9
221.15338	2.0
245.22525	1.1
261.03665	3.0
263.23697	2.4
295.84546	0.8
297.18527	1.0
301.20093	12.3
319.21063	3.2
335.07388	1.5
337.27332	100.0
342.22754	1.6
361.22513	1.3
375.23895	1.5
481.26541	1.3
516.21912	1.1
537.29071	3.1
579.30420	1.3
579.38574	1.2
597.39471	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	598.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01852	1.5
57.03426	2.1
61.02911	1.7
67.05499	1.3
69.03414	3.3
69.07047	1.3
70.06561	1.7
71.04977	3.3
71.62299	1.2
72.08136	3.5
79.05492	5.1
79.15480	0.8
81.03413	13.4
81.07055	1.4
84.08135	0.8
85.02897	15.4
87.04477	1.8
91.05461	3.0
95.04958	3.3
95.08607	1.3
97.02898	4.5
98.09690	0.8
99.04453	0.8
103.05459	2.8
105.07042	3.7
107.04958	7.0
109.02864	1.8
114.77329	0.8
115.05434	5.1
116.06291	0.9
117.07005	13.4
119.04951	1.6
119.08558	1.3
123.04401	3.1
124.05196	1.8
125.02345	0.8
127.03934	4.1
127.05389	0.8
129.07001	2.6
131.04938	1.7
131.08559	3.0
133.06447	2.0
133.10118	0.9
138.05482	2.9
138.25276	0.8
141.06964	1.0
143.86440	0.8
144.05696	2.2
145.04953	2.6
145.06473	34.3
147.04439	4.1
147.08032	1.5
149.05911	1.2
151.03935	0.8
152.04657	1.4
155.05998	1.9
156.05609	4.7
157.06465	1.9
159.08044	5.4
161.06007	3.7
161.93692	0.8
162.07613	1.3
163.03889	1.6
167.07036	48.2
168.13808	1.0
173.05972	58.1
174.06624	1.2
175.03865	1.4
175.07567	1.8
177.05391	1.1
180.08685	4.8
181.04976	1.4
181.08598	1.0
183.06468	1.1
184.05215	1.0
185.09662	1.0
187.07520	5.7
189.05559	1.0
190.06247	31.8
191.06978	2.3
193.08580	2.7
202.06239	3.5
203.07014	6.3
205.08585	100.0
206.04382	1.6
206.08884	1.0
207.06508	1.7
209.08194	0.9
215.07085	1.3
215.26219	0.8
217.08589	40.9
219.10136	4.2
221.09749	0.9
223.09645	2.4
231.08086	1.1
231.10161	1.0
235.09630	31.3
247.07407	1.3
247.09618	8.4
248.08485	0.9
264.07761	1.2
265.10706	35.3
271.09546	1.4
276.07733	1.4
277.08554	0.9
285.07449	3.2
286.07828	3.4
291.10242	2.2
293.08255	1.1
299.08881	1.0
308.32770	0.9
315.08630	3.9
319.09781	1.1
321.11273	0.9
323.12680	2.0
330.10977	6.5
331.11777	2.9
337.10831	1.1
339.12424	1.2
351.12128	3.2
368.12570	0.9
369.13049	1.0
371.14862	3.8
383.14850	10.7
401.15884	13.4
598.26251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01852	1.1
55.05494	2.0
57.03434	3.3
59.04986	0.8
60.34498	0.5
61.02904	1.8
65.03935	1.0
67.05501	6.1
68.05835	0.6
69.03076	0.8
69.03423	10.5
69.07041	2.3
70.06576	0.7
71.04963	2.3
71.61655	0.8
72.08128	0.7
73.02890	2.2
75.99038	0.5
78.04623	0.5
79.05479	3.5
81.03413	5.1
81.07053	5.9
83.04953	2.0
83.08610	0.7
84.08137	0.8
85.02415	0.9
85.02897	13.6
85.06550	1.1
86.09707	0.6
87.04450	2.1
91.03926	0.6
91.05450	3.3
91.35936	0.6
93.07033	4.5
95.04949	2.2
95.08591	3.0
96.08877	0.6
97.02882	7.8
97.06515	1.3
97.10127	0.6
99.04440	1.9
103.03909	0.6
103.05459	1.5
105.07037	3.7
107.04950	3.8
107.08580	3.2
109.02879	3.8
109.06470	1.5
109.10152	4.6
111.04419	0.7
111.08077	0.6
115.03927	0.8
115.05435	0.9
117.07004	1.9
119.04911	0.9
119.08537	3.5
121.02861	0.7
121.06508	1.2
121.10114	2.2
123.04420	3.6
123.11739	0.8
125.05988	0.7
127.03900	9.3
128.04216	1.2
129.04379	0.6
129.05461	0.8
129.06984	1.6
131.04893	1.4
131.08597	2.6
132.05681	0.5
133.06485	1.4
133.10107	2.4
134.03596	1.5
135.04381	1.3
135.08057	1.2
135.11662	1.4
137.02347	2.9
137.05978	7.9
137.09630	0.7
139.07559	0.5
143.08553	0.7
145.04948	1.2
145.06476	1.2
145.10088	1.5
147.04416	2.5
147.08086	0.6
147.11673	1.0
149.02235	0.7
149.06003	1.2
149.09634	1.3
149.13246	1.3
151.03868	4.2
151.07527	1.3
157.06427	1.4
157.10092	0.7
159.04413	6.9
159.08028	1.4
159.11742	1.7
161.02284	0.9
161.05960	1.6
161.13223	1.0
163.03810	0.8
163.11130	0.8
167.07042	11.5
167.08403	1.3
173.05981	1.1
173.11713	1.5
173.13161	0.7
175.07549	1.1
177.05450	0.7
177.12724	1.0
181.04962	2.2
181.06470	0.7
181.08275	0.6
185.06009	1.5
187.07552	4.4
189.05453	2.9
189.16414	0.7
191.06984	0.8
193.08592	1.3
194.08904	0.5
203.03387	1.1
203.06985	2.7
205.08658	0.6
209.09735	0.6
213.05453	24.1
217.10257	0.8
221.04311	0.8
225.09134	0.7
229.04945	0.9
229.14354	4.2
230.14682	2.1
231.06378	3.2
239.10844	1.1
240.03896	0.6
241.08546	0.8
245.09688	1.3
249.07513	0.7
251.07076	0.7
255.06445	1.1
261.09048	1.3
263.10794	0.6
264.07874	0.8
265.08582	0.8
267.10123	0.8
269.17465	5.7
270.17819	3.5
270.64389	0.6
271.05988	1.2
275.20099	1.0
276.07813	0.7
277.08658	1.1
281.07956	0.6
283.09650	0.8
290.09418	0.6
291.09930	0.8
295.06021	1.5
299.05609	0.9
301.08569	1.5
305.07962	1.0
307.05933	0.6
309.07474	1.0
309.11111	0.6
310.04474	1.0
311.05496	6.8
313.07327	0.7
317.07996	0.9
318.08759	1.0
319.06073	0.9
319.09583	5.1
321.07681	1.9
322.08411	1.3
323.05435	2.8
323.09067	1.6
324.06201	0.9
325.07135	1.6
329.08105	1.6
331.09479	0.9
333.07532	1.2
333.11197	1.3
335.09256	1.4
337.07016	11.9
337.10663	1.5
345.07602	1.3
346.08258	3.0
347.09122	31.1
349.07047	2.3
349.10806	1.3
349.23737	2.3
350.07709	3.8
350.24063	1.5
351.08640	0.9
352.09680	0.8
353.10193	1.1
357.07391	0.6
359.09152	1.9
360.09720	0.8
361.06921	0.8
361.10748	6.0
363.08566	5.3
364.09482	3.3
365.10172	100.0
366.10617	1.2
370.12039	1.2
371.12802	1.3
374.07553	2.9
375.08539	2.3
375.12250	1.8
379.07388	1.0
379.11761	12.6
381.10999	0.8
383.09418	0.8
384.10043	1.1
385.10660	1.0
387.08682	4.4
387.14368	6.9
389.13953	7.6
393.13528	1.0
399.12204	8.4
401.10211	2.0
402.10934	2.0
407.14963	19.0
416.12488	0.8
417.13303	66.4
418.13400	1.3
435.14035	36.7
527.15448	6.1
541.17200	4.2
569.20013	4.3
579.18549	61.8
580.18457	1.2
597.19550	99.2
598.20087	1.7
601.40485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55000	0.3
51.21895	0.3
51.74858	0.3
51.94821	0.2
53.03913	0.6
55.01843	0.6
55.02100	0.3
55.05488	0.3
55.98094	0.2
57.03431	1.2
57.81613	0.2
61.02930	1.6
62.14783	0.2
67.05472	0.6
69.03427	6.9
69.07019	0.3
69.71906	1.9
71.01328	0.3
71.04953	0.5
72.08114	0.5
73.02875	1.0
79.05452	0.4
81.03411	2.4
81.07008	0.7
83.04937	0.3
83.08567	0.3
85.02903	10.9
87.04407	1.0
91.03923	0.5
91.05450	0.5
93.06996	0.5
95.04926	0.5
95.08558	0.6
97.02891	3.9
98.20766	0.5
99.04400	0.9
101.02329	0.3
103.03854	0.3
105.06979	0.6
107.04889	0.3
107.08553	0.6
109.02871	1.4
109.06506	0.2
109.10149	0.4
111.04452	0.2
111.05257	0.2
112.28278	0.2
115.03848	0.4
117.07037	0.2
119.04886	0.4
119.08548	0.5
121.06451	0.3
122.03559	0.2
127.03931	2.8
127.51005	0.2
131.08505	0.3
133.02785	0.4
135.04353	0.3
137.05910	0.9
143.08461	0.3
143.35562	0.2
145.04927	0.6
145.10126	0.5
145.65370	0.3
147.04362	0.6
151.03865	0.9
151.07516	0.3
157.10030	0.3
159.04411	0.4
161.05997	0.3
163.03835	0.5
165.05524	1.7
167.06998	1.0
171.08008	0.6
175.94673	0.3
183.08028	0.3
185.05907	0.3
199.07536	0.3
201.09067	0.8
203.06989	0.7
205.04785	0.3
213.05495	0.4
215.03375	0.5
216.07729	0.3
223.07553	0.2
224.08443	1.2
225.08965	0.6
226.06216	0.4
227.07031	3.3
229.04980	0.7
231.06511	0.5
237.09019	0.3
245.08038	0.5
251.06955	0.9
253.08762	0.3
263.06958	0.3
265.08554	0.4
275.07050	0.3
275.10770	0.3
285.09000	0.3
289.08496	0.4
293.08102	0.3
295.05972	0.3
300.07361	0.3
303.06458	0.3
303.10104	0.9
305.08136	0.3
307.09610	1.0
308.06628	0.3
313.08731	0.6
315.10004	0.3
317.08109	0.6
317.11676	0.6
318.08829	0.6
321.07544	0.7
321.11072	0.5
322.04755	0.3
322.08496	0.3
323.08981	0.4
324.06320	1.2
325.07114	0.5
325.10608	0.4
329.11652	0.5
331.09647	1.2
332.10403	0.6
335.09058	4.2
336.06274	0.6
336.09854	0.5
337.07034	0.5
339.08685	2.4
345.07526	0.6
345.11176	0.6
346.08331	1.1
346.12115	0.4
347.09033	0.5
347.12979	0.4
348.06332	0.9
349.07025	0.9
349.10800	1.0
350.07709	0.5
350.11816	0.5
351.08688	1.4
351.12335	0.4
356.10648	0.6
359.09094	1.5
360.05899	0.3
360.09836	2.8
361.10681	1.7
363.08578	7.0
364.09500	1.4
365.09946	0.6
365.13962	0.4
372.06110	0.5
373.10837	0.8
374.11444	0.9
375.08527	0.3
375.12332	3.1
377.10294	1.6
378.10959	6.7
379.11765	1.1
381.28491	0.3
384.09903	6.4
385.10583	0.6
386.07736	0.5
387.08630	3.7
389.14191	0.3
393.13297	75.4
394.13684	2.1
399.12222	6.7
401.10077	1.5
402.10956	21.9
403.11353	1.1
415.11942	0.5
416.12634	0.4
417.13309	100.0
418.13657	2.8
435.14313	10.2
459.14487	0.8
555.18372	1.2
579.18573	92.8
580.18799	2.3
597.19855	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	597.181
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03933	2.3
55.01848	4.2
55.05502	4.1
57.03437	11.2
61.02918	1.7
67.05487	3.4
68.99786	2.3
69.03432	18.2
69.07049	2.1
70.06572	6.3
71.04990	73.4
71.33478	2.9
71.33818	1.6
72.08148	19.5
73.02902	2.4
75.04469	4.5
79.05467	2.9
79.18515	1.5
81.03429	7.7
81.04533	1.9
81.07053	2.2
83.04975	6.5
84.08126	5.5
85.02901	100.0
85.06528	2.0
86.06054	1.8
86.09703	3.3
87.04466	5.1
89.03896	1.7
89.10777	2.2
91.05475	6.8
93.03381	1.4
93.07095	1.8
95.04939	5.1
95.06076	4.7
95.08588	3.1
96.04523	1.6
96.08132	1.8
97.02886	15.4
97.06521	3.0
98.06034	3.5
98.09661	2.9
99.04451	2.8
103.03926	3.0
103.52909	1.5
105.07036	3.0
107.04952	46.8
107.08575	2.8
109.02871	9.6
109.06564	1.9
109.10120	2.1
110.02370	4.1
111.04414	5.2
115.03967	1.4
115.05495	1.6
115.08627	1.8
116.98608	1.5
117.03345	2.2
117.07053	1.5
117.27204	1.8
119.04907	7.4
119.08550	3.8
121.02889	9.6
121.06540	1.6
121.10177	1.7
123.04421	5.3
124.07499	1.8
127.03919	25.4
127.04917	2.6
128.04335	2.1
129.04498	1.9
129.05466	27.5
129.06989	1.9
131.04884	2.3
131.08432	1.6
133.02776	1.5
133.10164	1.7
135.03516	1.4
135.04366	8.8
137.02324	6.4
138.05498	3.5
139.03870	4.2
141.01765	1.8
145.02849	3.3
145.04980	1.9
145.06537	1.9
147.03357	2.7
147.04419	28.5
147.06502	6.2
148.04721	1.8
149.02333	16.0
149.06007	2.8
149.09518	2.3
151.03882	5.6
152.07083	3.5
153.01814	26.6
153.05479	3.8
161.05933	2.8
161.13348	1.8
163.03856	13.8
164.04349	2.2
164.07040	1.6
165.01860	6.4
167.03334	3.0
167.07022	11.1
171.02864	6.0
173.02357	6.1
173.05988	2.6
175.03954	3.1
177.01811	5.0
177.05458	8.3
179.03320	3.1
181.04953	3.5
183.02890	6.6
183.07755	5.1
183.11320	6.0
187.03915	2.1
189.01820	2.7
191.03378	5.8
193.04961	2.0
195.02878	19.9
197.13065	2.1
203.03517	2.5
207.02861	1.7
207.06506	1.9
211.07547	3.0
215.03571	1.7
215.06982	11.9
218.11667	1.8
219.02933	8.2
229.08397	1.6
229.11760	2.8
231.02872	2.0
239.07056	9.6
241.15979	4.5
243.06573	11.9
245.04459	3.3
249.03976	2.4
252.04050	1.8
255.06459	5.3
257.08081	4.2
259.06348	1.7
261.03986	2.5
263.05435	3.5
267.06409	4.7
269.04578	2.1
269.08325	1.8
271.05969	8.7
271.16803	3.2
273.03897	1.9
273.07462	2.7
283.05997	4.6
285.07556	9.4
287.05597	2.1
289.07050	45.6
294.05304	1.9
295.06049	6.0
297.06180	2.4
299.05243	2.7
301.06915	6.6
307.05817	3.4
309.07608	5.8
309.10873	2.0
311.05542	3.0
312.05972	1.8
313.07108	12.1
315.04962	3.5
321.07684	3.6
323.05322	1.8
325.06976	4.4
327.04886	5.7
329.06488	3.4
331.08124	15.9
337.06952	5.0
339.04877	3.3
341.06479	4.1
345.06009	5.7
349.06805	2.6
353.06433	4.5
353.10245	2.2
355.08167	15.9
357.05875	2.2
365.06531	3.1
367.07932	3.0
369.05927	6.5
377.06030	2.0
379.08109	1.9
381.05807	4.4
383.07608	2.7
385.09155	2.5
395.07370	3.3
397.08948	7.1
399.06628	3.4
399.10944	4.5
407.09363	2.3
411.07068	4.3
415.10135	4.3
417.11758	2.9
421.09003	2.3
423.07291	2.7
425.10275	2.9
433.11258	7.8
435.12970	3.6
435.20163	2.5
441.07413	7.2
447.09531	2.3
451.12256	8.8
459.08917	10.2
465.09924	5.3
495.09290	1.9
513.10327	2.9
525.10669	3.6
543.11652	4.3
579.28149	2.8
597.27625	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.5
55.05502	14.0
57.03423	7.8
57.07058	2.7
61.10226	2.6
64.93705	2.8
67.05171	3.5
67.05504	67.2
69.07050	8.1
71.04996	17.2
71.97125	2.7
75.59442	2.7
78.79426	2.9
79.05492	36.6
81.07056	87.0
83.08601	8.4
85.06537	6.0
91.05479	29.4
91.07234	3.1
93.07040	35.0
95.04945	6.4
95.08591	26.2
97.06539	4.9
105.07019	13.1
105.57306	2.9
107.08601	20.9
109.10144	12.3
117.07048	3.6
119.08600	6.4
121.10117	12.6
123.11692	11.8
131.08533	9.2
133.10130	12.4
135.11664	8.0
145.10123	4.6
159.11719	6.7
229.73505	3.6
269.17386	3.7
301.20001	13.0
335.25797	33.7
337.46365	3.2
503.37283	100.0
517.39075	4.6
529.38629	6.8
561.28192	3.3
561.41534	48.2
596.59058	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	597.1814
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03932	0.6
55.01862	0.6
55.05504	0.4
57.03429	0.6
57.45139	0.2
61.02923	0.4
65.03934	2.7
67.05501	2.1
69.03424	2.0
69.07050	0.7
70.06590	1.6
71.04981	1.0
71.62827	0.4
72.08151	2.6
73.02908	0.4
75.57240	0.2
79.05467	0.8
81.03415	1.7
81.07056	0.7
83.04971	0.5
84.04467	0.3
84.08142	0.8
85.02898	3.7
85.06526	0.5
86.09712	0.7
87.04472	0.3
89.03894	1.8
89.10799	0.3
91.05491	1.5
93.03404	2.8
93.07022	0.8
95.04969	0.8
95.08611	0.9
97.02886	29.8
98.03206	0.5
99.04468	0.9
103.05473	0.5
105.07034	0.8
106.04190	0.4
107.04950	0.9
107.08608	0.6
109.02853	2.1
109.06528	0.5
109.10156	0.4
110.02322	0.3
110.07149	0.4
111.04406	0.6
116.01677	0.3
117.03369	5.0
117.07008	0.3
118.95129	0.3
119.04926	1.5
119.08569	0.4
121.02898	1.5
121.06457	0.5
122.03727	0.3
123.04415	1.1
124.05253	0.5
125.02384	0.4
125.05995	0.9
127.03908	100.0
128.04257	2.5
128.06206	0.7
129.04391	0.5
129.07001	2.5
129.10233	0.4
130.12270	0.3
130.27647	0.3
131.04997	0.3
131.08511	0.5
133.06488	0.6
133.10130	0.6
134.03667	0.4
135.04379	0.8
135.11731	0.3
136.07545	0.5
137.06003	1.4
138.09102	0.5
139.03867	0.4
139.05611	0.4
141.07037	0.8
142.39980	0.3
145.02838	16.3
145.04919	0.8
145.06491	0.4
145.10155	0.3
147.04399	5.6
149.02344	3.1
149.05997	2.4
151.03929	1.3
153.01825	0.5
157.06491	2.6
161.05975	0.8
162.02115	0.3
163.03906	1.2
163.07492	0.5
164.07104	0.4
166.08702	0.3
167.03403	16.7
167.04825	0.8
167.07022	3.2
168.03748	0.4
169.06465	1.1
173.06012	0.3
174.06764	0.5
175.07509	0.4
175.14825	0.4
177.05464	33.5
178.05888	0.3
181.04944	0.7
184.05235	0.3
185.06023	1.2
186.05486	0.7
187.07509	0.7
188.08340	0.6
189.05461	0.8
189.09120	3.0
191.07076	0.7
195.04501	0.4
199.07527	2.2
205.08731	0.6
207.06508	1.7
209.09367	0.6
213.05489	0.5
215.06992	0.6
217.08629	3.1
227.07027	2.4
236.12830	0.6
245.08040	5.2
249.11197	0.3
255.06398	0.6
263.09317	0.3
271.05905	0.4
272.06308	0.4
273.07529	1.3
283.06049	0.6
285.07538	0.6
287.05383	0.6
288.05920	0.5
289.06522	0.7
289.09204	3.7
291.08618	12.7
301.07294	0.4
309.09756	2.0
313.07239	0.5
337.07086	0.3
553.26434	0.8
597.26300	0.7
597.35986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.05262	0.5
55.05508	7.3
57.03180	0.5
57.03432	6.2
57.07057	0.9
65.03928	1.1
67.05499	30.3
69.03426	0.7
69.07067	6.3
70.87596	1.2
71.04990	0.6
79.05484	14.5
81.03016	0.4
81.03413	3.9
81.07047	24.2
83.04969	1.1
83.08618	2.6
83.28439	0.4
85.02885	0.8
85.06523	0.7
91.05472	7.5
93.07040	14.1
93.46233	0.4
95.04958	2.2
95.08601	18.7
97.06484	0.7
97.10175	1.0
98.98458	11.1
98.99100	0.6
99.04433	0.6
99.08046	0.5
105.07029	5.0
107.08577	7.5
109.02853	3.1
109.06460	0.7
109.10133	7.4
116.99476	0.4
117.07005	1.6
119.08568	4.0
121.10127	6.0
123.08064	0.6
123.11684	2.4
124.06663	0.4
127.03922	0.8
131.08556	2.6
133.10089	3.3
135.11676	3.5
137.09552	0.5
137.13216	0.8
145.10060	1.8
147.11655	1.3
149.09554	0.4
149.13208	2.1
149.27217	0.4
151.14729	0.5
155.01030	1.7
159.11688	0.9
161.13222	1.1
163.05978	0.9
163.14789	0.5
173.02017	0.7
173.13252	1.3
175.14810	0.5
208.61586	0.4
237.88481	0.4
243.21040	0.6
261.03708	4.6
261.22214	2.9
265.98599	0.4
287.05423	2.2
317.24686	1.6
335.25766	100.0
336.26099	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	595.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.05497	0.7
55.66539	0.4
60.04518	0.4
61.02914	0.5
61.34642	0.5
67.05499	1.4
69.03422	3.2
69.07064	7.4
71.04974	0.8
71.29363	0.8
71.29718	0.5
72.08142	0.6
73.02925	0.8
77.03907	0.5
79.05497	1.2
81.03413	2.8
81.07054	1.6
83.04978	1.4
84.08167	0.5
85.02892	4.5
85.06559	0.6
86.09702	100.0
91.05473	11.5
93.07050	1.5
95.04955	1.2
95.08591	1.6
97.02883	3.2
97.06525	0.7
99.04449	3.0
103.03932	1.9
103.05465	3.3
103.56609	0.5
104.04980	0.8
105.03386	3.5
105.07023	1.8
106.06554	0.4
107.04937	1.2
107.08598	1.2
109.02880	4.5
109.06535	0.6
109.10161	1.4
112.07594	0.4
115.05466	0.5
117.05775	0.6
117.07018	0.8
118.06538	29.0
119.04950	1.7
119.07323	8.2
119.08575	1.0
120.08108	13.9
120.38741	0.5
121.02869	0.6
121.06490	1.4
121.10138	1.1
123.04413	1.5
123.08072	0.4
123.11684	0.6
125.09620	0.5
127.03913	31.5
128.04195	0.5
128.10710	33.5
130.06538	1.8
131.04919	1.0
131.08549	0.9
132.08102	0.6
133.06424	0.6
133.10107	0.7
135.04402	0.4
135.11713	0.5
136.07567	8.4
137.05972	1.3
141.10205	0.6
143.08585	0.5
144.08058	0.7
145.04979	2.6
145.10098	0.9
146.06000	74.0
147.04407	1.8
147.11691	0.5
149.05975	0.6
149.09592	0.5
151.03908	0.4
151.07538	0.9
156.10194	15.6
159.11681	0.5
161.05911	0.5
162.05446	2.9
163.03951	0.8
163.07468	0.6
163.11205	0.4
165.05501	2.1
167.07040	4.3
167.08568	2.6
169.04958	0.5
169.10129	0.9
171.11647	0.5
174.05540	0.5
174.12737	2.6
175.08810	0.4
177.05482	0.5
181.04959	0.7
181.08586	0.4
182.08182	3.2
186.12769	2.7
187.06026	1.1
188.14362	2.6
189.09097	0.5
191.06920	0.7
191.08507	0.7
193.08511	0.6
193.10135	0.7
195.08098	1.5
196.11203	0.5
200.10675	0.8
203.15388	2.8
204.13840	0.7
207.06500	1.2
214.12263	1.0
219.08032	1.5
223.07541	4.6
228.10220	0.6
229.05035	0.4
231.14911	13.8
236.10713	8.0
237.08763	0.5
242.11838	2.7
247.14351	1.0
249.16029	0.7
253.06956	0.7
255.16309	0.4
259.14420	56.7
264.10181	0.6
265.08585	4.7
270.11200	1.9
271.08194	0.8
275.13870	6.4
275.17505	1.8
278.35880	0.4
282.11237	7.1
287.05469	5.1
289.09314	0.5
295.16522	8.1
299.13904	2.8
301.15451	12.3
313.07098	0.4
321.14438	5.2
325.07007	0.7
327.13260	0.8
333.07571	0.8
339.08667	0.5
341.09335	0.7
359.10110	0.5
377.09958	1.0
383.19678	2.9
386.24353	7.4
395.19629	5.0
412.22107	2.2
414.23883	4.6
415.16696	0.5
422.20941	0.5
423.19263	0.9
433.17001	5.0
434.16885	0.7
440.21860	19.2
567.31189	0.6
577.30438	0.8
595.21143	4.7
595.31018	3.9
596.21460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
54.10807	0.2
55.01816	0.3
55.05473	0.3
56.89831	0.2
57.03377	0.8
61.02872	1.0
67.05452	1.0
67.86583	0.2
69.03429	3.4
69.07027	0.5
69.89451	1.6
70.06567	0.3
71.04935	0.4
72.08114	0.4
72.51159	0.2
73.02856	0.8
76.68515	0.3
79.05427	0.7
81.03426	1.3
81.07005	1.0
83.04962	0.3
84.08118	0.2
85.02904	5.0
85.06458	0.2
87.04430	0.6
91.03928	0.3
91.05419	1.0
93.06989	1.0
95.04936	0.5
95.08549	0.7
97.02895	2.3
98.21410	0.3
99.04397	0.9
103.03904	0.5
105.03305	0.3
105.06966	0.8
107.04884	0.4
107.08536	0.4
109.02882	1.6
109.06447	0.6
109.10101	0.5
111.04424	0.3
117.07001	0.4
118.66786	0.3
119.08590	0.5
121.06460	0.4
121.10104	0.4
127.03909	8.2
129.06929	0.2
131.04836	0.4
131.08513	0.4
133.02797	0.7
133.06404	0.4
133.10101	0.2
134.03593	0.2
135.04369	0.5
137.05893	0.9
139.07434	0.4
143.08524	0.3
145.04906	0.7
145.06468	0.3
145.10065	0.4
147.04318	0.6
149.05896	0.9
150.03069	0.7
151.03926	1.7
151.07500	0.7
157.23340	0.2
159.04349	0.7
161.02280	0.3
161.05894	0.4
163.03831	0.4
165.05418	1.5
165.06795	0.5
167.07036	9.4
169.06450	0.4
171.08008	0.5
177.05441	0.4
181.08565	0.4
183.11597	0.3
187.03793	0.3
187.05923	0.4
187.07478	0.5
189.05421	0.6
193.08568	0.3
197.06020	0.3
203.28542	0.3
207.10126	0.3
209.09711	0.4
211.07378	0.5
213.05359	1.6
213.09003	0.2
219.08061	0.3
223.11249	0.5
225.05414	0.7
225.09067	1.1
226.09888	0.6
227.10643	0.3
229.04993	0.3
231.06516	0.4
237.09077	0.3
239.06929	0.6
239.10663	0.5
241.12105	0.9
248.08203	0.7
249.09023	0.4
251.04643	0.3
251.06987	1.6
251.10561	0.3
253.08582	0.7
253.12199	0.3
263.10608	0.3
267.10110	1.5
269.08109	0.9
271.05627	0.3
277.08420	0.5
284.10455	0.3
287.05499	1.3
287.08960	0.5
291.10129	0.4
293.07968	0.3
301.08588	0.3
305.08105	0.6
305.11365	0.3
307.09543	0.3
310.04709	0.3
311.10440	0.3
315.09723	0.3
317.08115	0.3
318.08865	0.4
319.09607	0.6
319.13062	0.3
321.07422	0.3
323.05341	0.3
325.07092	0.9
329.11707	0.6
330.08340	0.3
334.08328	0.7
335.09042	0.6
336.06268	0.5
337.06870	0.6
337.10794	0.3
339.09183	0.3
343.09622	0.5
344.10504	0.3
345.10947	0.6
345.14767	0.4
346.08279	1.3
347.09052	0.7
347.12900	0.6
348.09808	1.1
349.06763	0.5
349.10660	0.8
351.08600	1.3
353.11536	0.4
357.07339	0.4
357.11218	2.3
358.08362	1.4
358.12094	0.4
359.09015	0.6
360.09891	0.4
361.06882	0.7
361.10742	2.4
361.14523	0.5
362.07660	0.6
363.08334	0.4
363.12274	0.8
364.09372	2.8
370.08249	0.7
371.08978	0.7
371.12961	0.6
372.09756	0.5
373.10550	1.9
373.14322	0.4
375.08408	0.5
375.12405	3.6
376.09119	1.3
377.10175	2.0
378.10806	0.7
379.11755	6.5
382.11804	0.6
383.13049	0.4
385.10645	4.0
386.11322	0.8
387.11887	0.6
387.16144	0.4
388.09573	0.3
389.09604	0.4
389.13824	0.8
390.10583	0.3
390.14868	0.4
391.11597	2.3
397.14157	0.9
399.12280	0.9
400.13022	2.8
401.13858	0.8
403.11688	4.9
405.17441	0.5
415.15491	7.6
415.32047	0.5
417.13232	1.1
418.14093	8.1
418.19699	0.5
419.14438	0.4
431.14880	0.5
433.16458	100.0
434.16785	2.6
475.17484	1.7
576.20947	0.3
595.21729	94.8
596.21918	3.3
596.48499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.5
53.66087	0.3
55.01816	0.5
55.05448	0.4
57.03397	0.6
61.02864	0.9
67.01807	0.3
67.05442	1.0
67.74579	0.3
69.03420	3.6
69.07023	0.4
71.04945	0.5
71.62940	0.4
72.08054	0.3
72.87045	0.4
73.02878	0.7
79.05440	0.8
81.03398	2.0
81.06989	0.9
83.04931	0.9
84.08052	0.3
85.02897	4.5
87.04393	0.5
91.05398	0.8
93.06989	0.8
95.04897	0.5
95.08553	0.6
97.02873	1.9
99.04431	1.5
103.03841	0.6
103.05434	0.3
105.03272	0.3
105.06966	0.6
107.04915	0.4
107.08538	0.7
107.68711	0.3
109.02882	1.8
109.06474	0.6
109.10119	0.6
111.04443	1.5
119.04845	0.3
119.08541	0.4
122.03574	0.4
122.66051	0.3
127.03905	11.2
129.05452	0.3
129.06941	0.3
131.04872	0.5
133.02805	0.5
133.10071	0.7
135.04382	0.7
135.08008	0.3
135.11665	0.4
137.05905	0.9
141.05344	0.3
145.04898	0.8
145.06371	0.4
145.10036	0.3
147.04333	0.8
150.03029	0.5
150.96498	0.3
151.03903	2.2
157.06381	0.4
159.04288	0.4
159.11612	0.3
159.70570	0.3
163.03867	0.4
163.07359	0.3
165.05492	1.5
165.06621	0.4
165.12767	0.3
167.07103	1.6
167.08241	0.3
168.07266	0.3
175.07391	0.4
183.08005	0.5
185.05919	0.3
187.07414	0.4
189.05487	0.5
191.03304	0.3
197.09656	0.5
198.06767	0.5
199.07527	0.3
201.05385	0.4
208.75348	0.3
209.09531	0.4
211.07411	0.7
211.11003	0.3
213.05467	1.7
221.09541	0.4
223.11034	0.4
224.04712	0.4
225.05371	0.7
225.09056	1.1
226.09871	0.3
231.06560	0.4
239.07053	0.4
239.10664	0.5
241.12141	0.8
245.09676	0.4
247.07532	0.4
249.08936	0.5
251.06918	0.9
253.08472	0.9
262.81058	0.3
267.10046	1.5
269.08029	0.9
271.05597	0.4
271.08176	0.4
275.00735	0.3
275.06790	0.4
285.08777	0.3
287.05457	2.0
287.08813	0.6
289.08902	0.4
290.09756	0.3
291.10101	0.3
295.05920	0.6
301.08527	0.4
301.12177	0.4
307.06140	0.4
307.09692	0.5
311.10599	0.4
317.11472	0.3
319.09506	0.5
321.07474	0.4
325.06995	1.2
329.08041	0.5
329.11609	0.7
330.08783	0.4
333.07516	0.5
333.11102	0.5
334.08246	0.6
335.09122	0.7
336.06348	0.7
337.06995	0.7
339.08661	0.4
341.07990	0.5
343.09476	0.4
345.11032	0.4
346.08249	1.3
347.08990	1.1
347.12747	0.7
348.09863	0.8
349.06937	0.4
349.10751	1.1
351.08444	1.2
354.12119	0.4
357.11160	1.2
358.08331	0.9
359.12967	0.4
361.06851	0.5
361.10684	2.0
361.14465	0.4
362.07584	0.6
363.12454	1.7
364.09280	2.8
365.10522	0.5
367.11609	0.4
370.08337	0.6
371.08826	0.6
371.12991	0.6
372.09488	0.5
372.13666	0.7
373.10605	1.7
375.08313	0.5
375.12317	3.4
376.09256	0.6
377.10147	1.5
379.11752	6.6
382.11890	1.1
383.12827	0.6
385.10532	3.8
386.11261	0.6
387.12076	0.6
389.09766	0.7
389.14282	0.7
390.14816	0.5
391.11493	2.2
393.13239	0.4
397.14294	1.1
399.11993	0.4
400.13016	3.1
401.13809	0.6
403.11694	4.3
405.13025	0.5
415.15363	7.6
417.13116	0.8
418.14038	8.4
418.19540	0.5
431.14914	0.5
433.16437	100.0
434.16882	2.6
444.16467	0.3
475.17648	1.5
538.61194	0.3
595.21698	81.1
596.21869	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	595.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01876	0.6
57.03421	0.4
61.02915	0.3
68.99773	0.3
69.03423	3.4
69.46317	1.1
69.46741	1.2
71.04987	1.4
73.02903	0.9
79.05480	0.6
81.03411	5.2
81.07044	0.3
83.04973	0.8
85.02895	10.7
87.04451	0.3
89.03891	2.0
91.05494	0.6
95.04966	0.5
95.08580	0.5
97.02879	8.9
99.04444	9.1
101.02357	0.2
103.03928	8.4
105.07006	0.3
107.04958	1.1
107.08579	0.4
109.02120	0.5
109.02872	9.8
111.04446	0.2
115.03899	0.3
117.03369	2.7
119.04941	0.4
121.02843	1.5
123.04411	0.3
127.03904	100.0
133.10176	0.3
135.04401	7.5
139.03888	0.6
145.02866	4.2
145.04945	9.2
145.10182	0.4
147.04387	0.9
151.03874	0.3
153.01776	0.3
153.05406	0.3
161.05968	0.4
163.03889	53.3
163.06076	1.7
164.04198	0.4
167.07076	1.2
169.01413	0.3
169.04948	0.8
177.05466	0.3
181.04930	2.6
187.05997	2.2
189.05376	0.2
205.07043	1.0
207.06482	0.5
209.08054	0.3
211.05762	0.3
229.07111	0.3
235.05966	0.6
253.07021	1.0
255.06616	0.3
271.05838	1.2
271.08325	4.1
287.05469	6.5
289.09222	1.8
293.45590	0.3
300.22885	0.3
307.08014	1.9
325.09073	1.1
337.06848	0.7
360.70444	0.3
367.10178	0.7
397.11349	0.4
415.12411	1.8
433.13016	1.2
469.13333	2.6
591.22852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56579	0.2
53.03939	1.7
53.54243	0.2
54.59134	0.2
55.01868	0.6
55.05503	0.4
57.03434	0.3
58.64662	0.2
61.02922	0.5
69.03428	4.6
71.04990	1.2
71.07201	0.6
72.08135	0.4
73.02911	1.7
81.03414	6.0
83.04960	0.4
84.08116	0.3
85.02903	11.4
87.04454	0.3
97.02890	5.3
97.50665	0.2
99.04454	10.5
102.37829	0.2
103.03288	0.5
103.03941	6.4
109.02880	11.9
111.04468	0.2
115.03901	0.6
119.04948	0.6
121.02875	1.2
123.04457	0.2
127.03913	100.0
128.04231	0.3
138.36737	0.2
145.04951	6.9
147.04411	0.8
157.04982	0.3
163.03894	0.4
163.06049	1.7
169.04977	0.9
175.03903	0.3
177.05453	0.3
187.06010	4.0
189.05478	0.2
193.05020	0.4
199.05965	0.4
205.07007	1.4
209.08122	0.5
211.06044	0.3
226.36974	0.2
229.04962	0.3
229.07104	0.6
235.06065	0.8
247.08167	0.5
253.07025	1.7
265.85214	0.3
271.06015	0.5
271.08224	5.0
283.06052	0.3
289.09189	2.0
294.05359	0.5
295.05942	2.6
295.08795	0.3
296.06860	0.3
299.05228	0.3
307.06015	1.6
307.09781	0.4
308.06836	0.6
309.07596	0.3
321.07608	0.9
325.07034	3.4
335.09140	0.4
337.07028	2.2
347.09378	0.3
349.07138	1.0
351.08591	0.8
355.08231	0.5
361.07077	0.4
365.10049	0.5
375.08548	0.4
379.07645	1.2
391.08118	0.9
397.11362	0.7
403.08185	0.8
409.09344	1.2
415.12436	2.0
421.09219	0.9
427.10269	1.0
433.13586	1.2
439.10367	0.6
445.10275	0.3
445.45590	0.2
457.11295	2.8
463.10370	0.3
475.12314	0.6
481.11356	0.4
499.12366	0.7
511.12137	0.8
523.12366	0.6
541.13550	1.0
559.14496	1.0
577.16357	0.7
595.23053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01863	0.3
55.05497	0.2
56.80000	0.2
57.03411	0.5
61.02906	0.3
64.68867	0.2
69.03066	0.2
69.03423	3.6
69.83976	0.2
70.55717	0.2
70.56039	0.4
71.01348	0.2
71.04984	1.1
72.08147	0.2
73.02923	1.2
81.03412	4.7
83.04978	0.4
85.02898	9.9
87.04463	0.3
95.04982	0.2
97.02274	0.3
97.02891	4.4
98.07978	0.2
99.04449	7.7
99.05099	0.4
100.58115	0.2
103.03343	0.1
103.03928	5.6
109.02869	8.8
111.04421	0.2
112.58511	0.2
115.03963	0.2
121.02879	0.5
127.03905	100.0
128.04222	0.3
137.05920	0.2
145.04948	7.0
147.04422	0.4
151.03868	0.2
157.04944	0.4
163.05983	1.7
165.05374	0.2
169.04947	0.6
176.22258	0.2
187.05991	3.7
203.03450	0.2
205.05219	0.3
205.06990	1.2
208.06288	0.2
211.06087	0.2
217.05020	0.2
217.07007	0.2
218.11763	0.2
227.09024	0.2
229.06964	0.8
235.06020	0.8
247.08325	0.3
253.07010	1.7
271.08133	4.3
289.09125	1.9
294.05099	0.2
295.05984	0.8
307.05975	0.5
307.09909	0.3
321.07562	0.5
322.08237	0.2
325.06958	1.0
331.10251	0.5
335.08990	0.2
337.07144	0.6
349.07007	0.4
351.08737	0.2
361.06897	0.3
373.11310	0.4
379.08334	0.6
391.07935	0.2
397.11188	1.0
403.08426	0.2
409.09137	0.4
415.12369	2.1
421.09225	0.3
427.10428	0.3
433.13507	1.6
439.10263	0.4
451.14389	0.3
457.11536	0.9
475.12140	0.3
511.12427	0.4
523.12177	0.2
541.12970	0.3
559.14893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01857	0.4
55.05509	0.3
57.03415	0.6
61.02935	0.4
62.34061	0.2
69.03424	3.5
70.55383	0.2
70.55729	0.6
71.04977	0.9
73.02906	1.9
81.03411	5.8
83.04971	0.6
85.02898	11.4
87.04462	0.3
95.04976	0.3
97.02885	5.3
98.56491	0.2
99.04447	9.2
103.03938	6.0
109.02872	11.5
110.03606	0.2
111.04417	0.2
115.03918	0.4
123.04455	0.2
125.02345	0.2
127.03905	100.0
128.04239	0.6
137.05920	0.2
139.03862	0.2
145.04950	8.0
151.03957	0.3
157.04959	0.4
163.03841	0.2
163.05983	1.5
169.04948	0.8
187.06006	3.6
189.05566	0.2
193.04901	0.2
199.06052	0.2
205.05261	0.3
205.07036	1.8
207.06575	0.3
209.08121	0.6
211.06023	0.3
222.01106	0.2
229.07080	0.7
235.06003	0.9
245.10242	0.3
247.08199	0.4
253.07108	2.3
271.08102	5.4
289.09158	2.2
307.10373	0.3
313.09280	0.3
331.10257	0.4
349.11188	0.2
373.11288	0.3
379.10321	0.6
397.11353	1.1
415.12347	2.5
433.13309	1.5
451.14517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90221	0.3
53.03943	1.7
55.01837	0.5
55.05499	0.5
57.03416	0.6
61.02911	0.5
61.90403	0.3
62.56217	0.3
64.33434	0.2
69.03420	4.9
70.06551	0.4
71.01337	0.2
71.04988	1.7
71.28924	0.2
71.29327	0.7
72.08134	0.7
73.02910	2.1
79.05490	0.5
81.03410	6.3
81.07028	0.6
83.01315	0.3
83.04971	1.0
84.08114	0.5
85.02895	11.4
87.04479	0.5
91.05459	1.1
95.04952	0.5
95.08614	0.3
97.02879	6.5
97.06441	0.3
99.04440	9.4
103.03282	0.5
103.03928	6.6
103.05500	0.3
105.06997	0.6
107.04964	0.4
107.08584	0.5
109.02868	11.5
109.10144	0.3
115.03940	0.3
119.04906	1.1
121.02846	0.3
121.10105	0.4
123.04381	0.4
127.03899	100.0
128.04236	0.5
133.52853	0.3
135.04393	0.6
135.11705	0.3
139.03920	0.4
145.02687	0.2
145.04945	7.7
147.04391	2.8
153.01778	0.5
153.05391	0.3
157.04945	0.6
161.05949	0.3
163.03935	0.7
163.06052	1.6
163.07300	0.3
167.07040	1.1
169.04944	1.1
175.03900	0.9
177.05498	0.3
187.05986	3.4
187.07457	0.4
193.04875	0.4
199.05995	0.4
205.07021	1.3
207.06439	1.6
209.08130	0.6
217.05069	0.3
229.07039	0.7
235.05992	0.9
247.08011	0.5
253.07077	1.9
267.06595	0.3
271.05905	2.9
271.08148	4.3
287.05457	8.3
289.09143	1.6
307.10196	0.3
329.06375	0.4
347.10013	0.3
359.23117	0.3
379.10080	0.4
397.11237	0.9
415.12259	2.3
433.13068	1.4
595.13770	0.4
595.22162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01856	0.5
55.05515	0.5
56.04330	0.2
57.03424	0.7
61.02914	0.6
64.62565	0.2
69.03423	4.2
69.64256	1.6
70.06573	0.4
71.04990	1.3
72.60276	0.2
73.02915	2.2
81.03410	5.4
81.07016	0.2
81.17783	0.2
82.28500	0.2
83.04977	0.6
85.02897	11.7
87.04456	0.5
89.03928	0.2
91.05449	0.2
95.88099	0.2
97.02277	0.3
97.02884	5.5
98.21602	0.2
99.04446	9.4
103.03934	6.5
103.04938	0.3
107.04937	0.3
109.02872	11.4
115.03936	0.2
117.03362	0.3
119.04939	0.2
121.02821	1.2
123.04372	0.3
125.02340	0.3
127.03905	100.0
128.04239	0.3
135.04376	0.6
145.02919	0.4
145.04942	7.0
147.04382	0.3
151.03935	0.5
157.05016	0.3
163.03909	4.2
163.05957	1.7
163.07307	0.3
169.04976	1.2
175.03963	0.2
181.04985	0.4
187.06000	3.0
199.06015	0.3
205.07008	1.6
207.06477	0.4
207.65692	0.2
209.08029	0.3
211.06059	0.4
217.05005	0.3
229.07152	0.7
233.86877	0.2
235.06029	0.9
245.10245	0.2
247.07994	0.4
253.07042	2.0
271.05872	0.8
271.08255	4.1
285.07642	0.2
287.05496	4.5
289.09146	2.0
301.07257	0.3
307.10104	0.4
309.07452	0.3
331.10202	0.3
337.07178	0.9
349.07220	0.2
349.11264	0.3
373.11203	0.3
379.11505	0.3
397.11371	0.8
415.12335	2.0
433.13504	1.5
457.64395	0.2
472.42972	0.2
570.65424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.01873	0.3
57.03417	1.1
59.27200	0.3
61.02909	0.5
69.03424	4.6
69.53088	0.6
69.53472	2.2
71.04967	1.0
72.08138	1.2
73.02908	1.3
81.03410	4.6
83.01318	0.3
83.04958	0.4
85.02895	11.9
85.32328	0.3
87.04463	0.4
91.05436	0.3
97.02879	5.2
99.03819	0.5
99.04442	7.0
103.03932	4.5
109.02112	0.4
109.02868	9.2
111.04407	0.3
115.03925	0.4
119.04947	0.9
121.02861	3.1
123.04419	0.3
127.03903	100.0
130.06050	0.3
131.04936	0.4
139.03893	0.5
145.02916	0.7
145.04933	5.3
147.04387	1.4
151.03963	0.5
157.04880	0.3
161.57552	0.3
163.03882	0.6
163.06055	1.1
169.04988	0.4
179.03368	0.3
187.06007	4.1
189.01799	0.5
191.03395	0.5
192.35747	0.3
195.02879	0.7
203.03339	0.8
205.05083	0.5
205.06996	2.2
207.02869	1.1
215.03407	0.4
217.05032	0.5
219.02968	0.6
221.04446	0.4
229.04944	0.4
229.07069	1.1
235.05968	0.5
235.14333	0.3
245.04659	0.3
245.81984	0.3
253.06992	2.1
255.02809	0.3
271.05600	0.4
271.08148	4.2
279.06497	0.6
280.07520	0.3
281.08090	0.6
283.06033	0.7
285.03970	0.3
289.09158	2.1
293.08130	0.6
294.05228	2.3
295.05994	8.8
296.06699	1.0
297.07590	1.0
307.05972	5.0
307.09601	0.5
308.06766	1.5
309.07382	1.6
313.07187	0.8
317.08353	0.3
319.06146	0.9
321.07550	2.5
322.08322	1.1
323.09195	0.5
325.07007	10.2
331.09982	0.4
333.07556	0.8
335.09064	1.9
337.07025	6.5
337.11020	0.4
338.07367	0.3
345.07288	0.4
347.09045	1.1
349.07043	3.5
349.10825	0.4
351.08603	2.4
355.08051	1.7
361.06976	1.7
363.08630	0.6
365.10223	1.4
367.08072	0.6
373.06909	0.8
373.11392	1.2
375.08807	1.5
379.08060	6.3
385.06970	0.5
391.08075	3.1
397.11035	0.6
403.08038	2.4
409.09097	3.9
415.12515	2.3
421.09235	2.1
427.10281	3.5
433.13300	1.1
439.10233	2.9
445.10593	0.6
457.11267	9.8
463.10028	0.5
475.12350	2.5
481.11230	2.7
487.09766	0.3
493.11084	0.5
499.12411	2.3
505.11340	0.7
511.12253	2.5
523.12506	2.3
529.13422	1.4
541.13458	2.8
541.77820	0.3
559.14539	2.8
577.15350	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	595.1645
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03937	0.5
55.01870	0.3
55.05500	0.3
56.04993	0.1
56.34533	0.1
57.03439	0.8
57.53504	0.1
60.55290	0.1
61.02915	0.2
65.03939	0.3
67.05482	0.3
68.99812	0.2
69.03424	1.4
70.06570	0.2
71.04989	2.6
71.63033	0.2
72.08131	0.3
73.02908	0.5
75.04469	0.2
76.02222	0.4
79.05466	0.2
81.03410	1.5
81.07044	0.4
83.04975	0.4
84.04503	0.1
85.02898	6.4
86.09742	0.2
87.04478	0.3
91.05453	0.7
93.07027	0.3
95.01308	0.3
95.04962	0.2
95.08588	0.2
97.02885	2.1
97.06524	0.1
99.04443	2.7
103.03931	1.8
105.06985	0.3
107.04945	0.3
107.08570	0.2
109.02869	2.8
111.04450	0.4
114.10314	0.1
114.94349	0.1
116.01697	0.2
119.04935	2.4
121.02866	1.6
123.00775	1.7
125.02315	0.3
127.03908	25.3
129.05463	0.8
131.04863	0.2
135.04405	0.4
137.10905	0.1
141.01839	0.6
142.03156	0.1
143.03436	0.2
144.01149	0.2
145.02933	0.4
145.04939	2.3
147.04420	0.9
151.03864	0.2
151.38911	0.2
153.01814	1.1
157.06447	0.3
163.03896	1.6
163.06033	0.4
167.07039	0.4
169.01297	2.3
175.03819	0.2
177.05414	0.2
179.04788	0.2
185.06026	0.1
187.03876	0.1
187.05978	0.9
189.05460	0.2
195.02873	0.2
200.24738	0.2
205.07071	0.4
207.06511	0.3
213.05524	0.4
229.07043	0.1
231.06531	0.2
241.04961	0.8
245.04411	0.6
253.07042	0.4
258.05243	0.2
259.06006	0.8
269.04404	1.5
269.17612	0.2
270.05118	0.2
271.05722	2.0
271.08594	0.9
286.04633	0.2
287.05472	100.0
288.05853	1.9
289.09140	0.5
301.07034	0.3
378.18607	0.1
409.36502	0.1
415.12329	0.7
433.13452	0.2
448.21716	0.4
449.10788	1.5
502.22897	0.2
595.15613	0.3
595.24127	0.2
595.33331	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	595.1649
Annotation	6-C-Galactosylapigenin 6''-O-galactoside
Peak:m/z	Relative Intensity
57.03429	2.5
61.02920	2.4
73.02900	2.1
76.47282	1.4
81.03420	1.6
85.02890	6.2
89.06039	1.4
97.02882	1.5
103.03954	2.5
109.02895	1.8
119.04908	6.9
121.02852	32.0
123.04405	1.4
127.03887	2.3
140.29333	1.3
143.52789	1.4
145.02881	5.4
149.11469	1.5
163.03893	2.0
175.03888	1.4
177.01875	1.8
179.03395	3.8
179.06898	1.5
189.01820	5.9
191.03383	4.3
195.02910	7.8
199.03836	1.6
203.03351	8.4
207.02885	8.3
214.38123	1.4
215.03415	2.6
217.04947	3.0
219.02835	6.5
219.06435	2.1
221.04483	4.8
229.04997	4.0
229.71698	1.4
233.04501	2.3
251.07066	2.0
255.02907	3.7
267.06583	1.7
268.07330	4.6
269.04431	1.6
273.03909	2.1
279.06519	6.0
280.07147	2.7
281.08011	4.5
283.06000	5.3
285.03888	1.7
291.06522	1.6
293.04776	1.7
293.08014	2.5
294.05200	19.0
295.05978	80.8
295.08807	3.0
296.06653	6.9
297.07513	8.9
305.07907	1.9
307.05984	48.5
307.09479	2.6
308.06729	15.4
309.04102	2.3
309.07501	13.9
313.07031	5.7
317.07892	1.8
319.06006	4.3
320.06781	4.3
321.07526	25.2
322.08215	11.8
323.05438	3.7
323.09143	3.3
325.07022	100.0
333.07346	8.5
335.09109	16.5
336.06442	3.3
337.07031	58.8
339.08731	1.5
345.07413	2.6
347.09177	13.1
349.07004	34.6
351.04779	2.2
351.08630	22.4
353.06580	1.6
355.08105	21.2
357.07480	1.6
361.06979	18.9
361.10638	1.9
363.08630	5.8
365.06247	2.2
365.10190	12.2
367.08044	4.7
373.07080	8.7
375.08551	12.4
377.10172	2.5
379.08081	49.5
385.06946	2.1
387.08716	2.4
389.10318	3.0
391.08084	27.2
401.10419	3.6
403.07993	22.2
409.09106	43.9
415.08374	2.3
417.09665	3.4
421.09079	24.9
427.10254	36.4
433.09375	3.0
439.10236	28.1
445.10925	6.3
457.11264	99.8
463.10022	6.6
475.12323	23.7
481.11273	29.7
487.10162	2.2
493.11392	2.5
499.12366	24.0
505.11243	5.9
511.12256	27.4
523.12390	21.3
529.13348	12.6
541.13379	33.2
559.14478	30.0
577.15509	16.4
595.16180	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	595.1652
Annotation	Multiflorin B
Peak:m/z	Relative Intensity
50.75071	0.2
56.36499	0.2
57.03426	0.2
67.01849	0.6
68.99787	0.4
69.03403	0.4
69.71991	0.2
70.35840	0.6
71.04969	0.6
77.37007	0.2
81.03410	0.3
85.02898	2.1
90.06843	0.2
90.26131	0.2
91.05441	0.3
92.72730	0.2
97.02866	0.7
109.02821	0.5
113.85697	0.2
119.04913	1.1
121.02848	0.4
127.03886	1.4
129.05521	0.2
135.04376	1.2
137.02328	0.2
145.02802	0.5
145.04967	0.6
145.62363	0.2
153.01822	5.5
161.02347	0.3
163.03880	0.5
171.02913	1.3
179.03368	0.4
198.11488	0.2
209.57167	0.2
225.05461	0.3
241.04922	0.4
243.06453	0.3
258.57034	0.2
269.04343	0.4
271.05984	100.0
272.06357	1.6
287.05469	92.5
288.05786	1.3
433.11179	1.2
595.16370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	6-C-Galactosylapigenin 6''-O-galactoside
Peak:m/z	Relative Intensity
53.03930	2.9
55.01868	5.6
57.03431	3.4
57.59465	2.1
60.51057	1.9
61.02924	4.1
65.03918	2.4
67.05490	2.7
69.03432	12.0
69.78607	7.9
69.79028	6.2
70.06578	6.5
71.04981	3.9
72.08141	19.7
73.02905	2.7
79.05502	2.7
80.02326	2.3
80.39066	2.1
81.03411	10.6
81.07071	2.6
83.04952	3.7
84.08115	6.9
85.02898	25.6
86.06024	2.4
86.09684	5.9
91.05461	6.7
93.03392	2.6
93.07089	2.7
97.02869	10.5
98.09636	2.2
99.04443	11.2
103.03925	6.9
107.04919	7.0
109.02869	17.5
110.02451	2.3
114.10397	2.6
117.58228	2.3
119.04916	11.1
120.08106	3.2
121.02853	14.0
121.06506	3.3
123.04414	2.3
127.02939	4.8
127.03902	100.0
129.10190	3.0
133.06425	2.1
135.04407	2.8
136.07581	3.1
137.02315	7.9
138.09151	2.1
145.02806	6.3
145.04947	7.5
147.04405	24.2
148.04715	2.8
149.05946	11.2
151.03902	32.1
153.01801	3.6
153.12006	2.0
161.02388	3.5
163.03883	3.3
165.01805	2.4
166.08556	2.1
167.07031	5.4
173.02458	2.1
175.03883	8.4
177.01889	3.4
177.05429	5.4
179.03476	4.8
187.04012	3.2
187.05978	6.9
189.01830	6.2
191.03447	4.1
195.02872	12.2
201.01669	2.6
203.03357	13.2
205.04959	2.5
207.02856	13.3
207.06532	5.0
215.03352	3.4
215.07021	3.9
217.04897	7.0
218.11794	2.7
219.02863	7.3
221.04407	5.2
225.03915	2.6
227.03415	2.6
229.04980	5.5
231.02896	2.2
233.04649	5.2
241.05034	2.7
243.02870	2.1
243.99423	2.1
245.04451	3.2
255.02888	6.8
257.04315	3.3
267.06396	3.2
268.07117	4.3
269.04544	2.8
271.05829	13.0
273.04028	5.3
279.06461	3.2
281.04407	2.8
281.08066	3.4
283.06082	18.3
284.06842	6.7
285.03790	2.7
285.07578	2.3
287.05408	6.8
289.08838	4.1
293.08047	2.8
294.05197	6.0
295.05966	67.4
296.06638	4.7
297.07568	7.7
298.08231	3.4
307.05945	20.9
308.06644	5.9
309.04099	4.8
309.07584	12.5
310.04657	12.4
310.08093	5.1
311.05420	5.1
311.09058	4.0
312.06284	8.2
313.07092	20.1
320.06766	3.2
321.07407	13.1
322.04651	6.6
322.08212	2.8
323.05377	9.6
323.09137	7.7
324.06207	17.9
325.07016	98.7
326.07635	7.8
327.08505	5.5
334.04486	2.5
334.08212	3.6
335.05646	2.9
335.09091	13.6
336.06165	14.3
337.07031	65.4
338.07712	15.9
339.08511	18.4
340.05988	5.0
341.06253	2.5
343.08121	4.8
345.07770	3.1
347.09125	6.0
348.06406	3.3
349.06976	22.4
350.07776	8.5
351.08514	28.0
352.05698	8.1
352.09421	6.6
353.06262	5.2
353.10156	6.6
355.08105	75.0
359.09177	2.3
361.06845	13.2
362.07724	4.1
363.08685	19.0
365.06250	3.7
365.10123	8.8
366.07410	7.5
367.08093	55.0
367.12534	3.6
373.07010	6.3
375.08652	6.6
376.05655	4.6
377.10208	9.9
379.08051	43.7
380.08862	3.7
381.09726	17.1
385.09174	11.2
391.08066	37.0
393.09570	8.5
395.11304	9.4
397.09244	9.6
403.08185	7.1
405.09753	10.3
407.06989	3.2
409.09149	99.1
410.09644	3.2
415.09927	6.7
416.09091	2.5
421.08978	33.2
423.10498	4.0
427.10202	66.7
433.09082	21.4
435.10489	6.6
439.10266	43.0
441.09729	3.2
445.11453	25.0
447.10516	3.4
449.12158	4.2
451.10342	20.5
457.11261	31.3
463.10330	16.2
469.11374	17.9
475.12204	42.3
481.11206	37.6
487.12271	44.1
493.11035	7.7
499.12344	53.7
505.11124	12.2
511.05042	2.4
511.12308	42.8
523.12323	37.1
529.13281	36.0
541.13367	53.5
559.14441	59.9
577.15521	36.4
578.15656	2.6
595.16010	6.6
595.23077	3.4
595.30652	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01936	1.0
53.03935	3.1
54.03271	1.2
55.01857	3.8
55.05509	15.0
57.03437	9.3
67.05175	1.1
67.05502	17.9
67.42210	1.3
69.03407	3.7
69.07066	6.0
69.65504	4.6
69.65916	2.9
71.04979	4.2
73.19276	1.2
79.05486	19.7
81.03410	47.9
81.07048	19.7
83.04959	4.5
83.08614	18.5
85.02882	3.2
91.05457	15.6
93.07039	17.5
95.04964	21.1
95.08602	9.6
97.02882	2.2
97.06510	2.7
97.10165	14.7
99.04434	1.5
105.03342	1.4
105.07037	12.8
107.04955	13.6
107.08572	12.1
109.02859	2.7
109.06512	9.8
109.10159	6.8
111.08068	3.8
115.05498	1.3
117.07021	4.7
119.04930	1.2
119.08562	10.6
121.06515	11.1
121.10152	8.7
123.04431	7.0
123.08037	3.4
123.11704	1.9
125.09610	14.2
127.03905	11.0
129.06982	7.7
131.04961	3.1
131.08546	10.8
133.06476	4.9
133.10118	5.0
135.08055	4.7
135.11737	2.0
137.05974	2.3
137.09613	2.3
142.07713	1.3
143.08539	3.3
145.05243	1.1
145.06450	6.0
145.10115	5.0
147.04382	2.8
147.08064	5.6
147.11662	4.9
149.05923	1.8
149.09558	6.1
149.13185	1.1
153.09082	3.0
155.08553	1.8
157.10114	8.6
159.08069	1.8
159.11655	2.4
161.06020	1.3
161.09604	2.8
163.11142	4.5
165.09120	1.3
165.12782	1.5
167.07053	2.8
167.10631	1.7
169.10104	1.7
171.08061	2.4
171.11665	2.8
173.09651	1.6
173.13251	2.3
175.07550	1.2
175.11154	8.0
177.12750	1.9
185.13277	1.8
187.11096	1.4
189.09499	1.0
189.11180	6.7
189.12654	1.7
193.12254	11.9
195.11678	1.5
199.11136	4.0
203.14246	1.2
205.12234	2.2
211.13226	1.6
213.12720	1.4
215.14273	2.5
219.13699	2.9
223.13245	1.7
233.15341	3.8
237.12610	1.9
249.14989	1.3
255.13869	1.3
266.69751	1.1
267.15900	36.7
273.14734	6.4
287.05438	4.3
287.16226	1.5
293.17535	2.1
339.23190	2.8
349.21600	4.7
355.55042	1.3
357.24301	2.1
363.11978	1.2
367.22705	16.3
377.10269	2.6
385.18756	1.5
385.23691	27.5
403.24738	9.4
430.13565	3.4
433.16403	8.7
441.26236	8.6
459.27380	100.0
460.27353	1.6
477.28442	83.7
491.29944	12.1
509.31067	6.5
541.33484	1.7
594.16034	5.1
595.21814	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	593.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31414	0.2
69.56364	0.7
69.56789	1.1
93.69787	0.2
107.57567	0.2
137.10887	0.2
174.13457	0.2
193.98683	0.2
195.64716	0.2
215.92577	0.2
387.16013	0.3
388.16818	0.5
389.17728	0.8
401.17862	0.3
402.18161	1.1
403.19247	2.9
404.19888	0.9
405.20682	1.9
415.19565	0.4
416.19934	0.9
417.16473	0.9
417.21426	3.5
418.17639	0.2
418.21680	2.1
419.22311	3.3
430.17825	0.8
431.18210	7.8
432.18344	1.9
432.23712	0.8
433.24063	7.0
434.24799	1.0
444.18579	0.3
444.23959	0.4
445.19916	9.5
446.20749	4.4
447.21628	4.7
447.26733	0.3
448.22800	0.3
449.23135	0.3
459.21594	3.8
460.22534	11.1
461.23346	9.6
462.23727	0.7
463.20889	0.3
473.23944	1.9
474.24048	0.7
476.26242	1.2
477.21979	0.5
487.24829	0.7
489.26923	0.4
491.24927	0.4
492.25168	1.2
504.21191	0.3
505.21857	3.8
506.22427	0.3
517.26434	0.2
518.23090	0.6
519.23981	0.6
533.25476	39.4
534.25885	2.6
547.27032	0.4
564.23645	0.5
565.27972	0.7
575.26526	0.6
578.25317	0.3
593.27570	100.0
594.27899	8.6
597.77368	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	593.2753
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.16556	0.5
66.06343	0.5
69.34264	5.1
81.81618	0.4
114.95873	0.4
135.52417	0.5
146.55437	0.5
199.52223	0.6
210.11220	0.5
307.77594	0.6
388.16760	0.6
389.17688	1.2
401.17740	0.8
402.18484	1.0
403.19312	3.7
404.19934	1.8
405.20779	1.9
406.21130	0.5
408.17999	0.5
416.20752	1.0
417.16263	1.2
417.21423	4.6
418.21619	2.1
419.17346	0.7
419.22437	5.5
430.17828	1.8
431.18228	11.2
431.24176	0.8
432.18881	3.1
433.18716	0.7
433.24405	5.9
434.24609	2.4
444.19321	0.7
445.19815	12.4
446.20663	5.5
447.21664	7.8
449.23990	0.5
459.21503	4.2
460.22620	15.5
461.23370	12.1
473.23947	3.0
474.24246	0.8
476.26175	0.8
477.22519	1.0
487.25159	1.3
489.26450	0.6
491.24734	1.4
492.25406	1.6
505.22025	8.1
518.22736	0.7
519.23694	1.4
533.25470	37.6
534.25897	2.4
564.23499	0.8
565.27966	1.1
593.27563	100.0
594.27814	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	593.1862
Annotation	BUDDLEOFLAVONOLOSIDE
Peak:m/z	Relative Intensity
55.05487	0.5
57.03430	0.9
61.02909	0.3
65.03917	0.2
67.05495	0.3
69.03426	0.9
69.07056	0.4
69.42501	0.4
69.42897	1.5
70.06568	0.4
71.04987	5.8
73.02913	0.2
75.04466	0.2
79.05479	0.3
81.03405	0.4
81.07056	1.2
83.04958	0.4
84.08159	0.2
85.02896	7.2
85.06521	0.4
87.00823	0.2
87.04469	0.3
87.05428	0.2
91.05465	0.4
93.07020	0.6
93.95628	0.2
95.04953	0.4
95.08611	0.9
97.02866	0.9
97.06544	0.3
98.03201	0.2
99.04420	0.3
99.08041	0.2
105.07005	0.6
107.04932	0.5
107.08586	0.5
109.02840	0.8
109.06506	0.2
109.10143	0.5
111.00754	0.2
111.08025	0.2
118.04146	0.6
119.04918	0.6
119.08572	0.4
121.02888	0.3
121.06456	0.3
121.10118	0.2
123.04415	2.2
123.08036	0.3
123.11674	0.4
124.01543	0.2
126.59818	0.2
127.03884	1.3
127.19953	0.2
129.05438	0.9
131.04851	0.3
133.06473	0.5
133.10139	0.2
135.07980	0.2
135.11726	0.2
136.90700	0.2
137.05966	0.3
137.09674	0.2
145.02809	0.3
145.06433	0.3
145.10063	0.3
147.04396	1.0
147.11644	0.2
149.02342	2.0
149.06046	0.2
149.13171	0.2
151.03819	0.3
151.07515	0.7
152.01001	0.8
153.01863	0.9
158.03577	0.4
161.06004	0.3
163.03894	0.2
163.07570	0.3
167.07001	1.5
170.02113	2.9
175.03903	0.5
175.07526	0.2
177.05453	0.7
179.03357	0.4
187.07544	0.3
188.03679	0.4
191.10641	0.2
197.05980	0.3
201.05518	0.3
201.09082	0.2
207.06502	1.5
209.15338	0.2
213.05492	0.7
229.08574	3.1
241.04895	0.4
242.05748	1.5
252.04247	0.3
253.04996	1.9
255.06502	0.4
269.04407	1.4
270.05200	4.4
285.07547	100.0
286.07932	0.9
290.50275	0.3
309.27707	0.2
310.10489	0.2
324.06332	0.3
327.08536	0.5
339.08563	0.4
393.13208	0.3
394.13623	0.4
395.13992	0.9
411.14603	0.4
412.14581	0.4
413.15378	1.0
413.29584	0.2
429.15906	0.2
431.15826	0.8
447.12811	10.8
593.21735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66634	0.3
53.03930	0.6
53.05228	0.3
54.85248	0.3
55.01857	0.6
55.05508	9.0
57.03423	1.5
58.06598	2.7
59.04989	1.7
61.02908	0.4
63.69403	0.4
67.05490	1.1
68.99785	0.9
69.03426	4.5
69.79709	2.3
70.06577	1.5
71.01351	0.8
71.04984	1.1
72.04496	0.8
72.08147	1.0
73.02910	2.1
81.03407	3.0
81.07076	0.6
83.04974	4.0
84.04512	0.3
84.08138	54.0
85.02898	10.4
85.03419	0.5
85.06550	1.7
86.06052	3.9
87.04468	3.5
91.05480	1.4
93.07029	0.9
95.04950	0.9
95.08598	0.4
97.02883	3.5
98.06088	0.4
98.09708	1.2
99.04475	1.7
100.07641	0.9
100.11245	2.6
101.06013	19.0
104.07110	0.5
105.07042	0.7
107.04971	0.5
107.08557	0.5
109.02882	2.0
111.04436	1.8
111.05563	0.5
114.09151	0.4
115.03901	0.5
119.04919	0.9
121.06546	0.9
123.04417	10.0
125.07088	0.6
127.03916	4.6
128.07149	0.4
128.08200	0.9
128.10709	22.9
134.64893	0.3
137.06003	0.7
138.05539	0.7
144.10202	0.6
145.04930	0.6
146.09317	1.1
146.11752	13.1
147.04401	3.0
147.08038	0.8
149.05980	10.0
151.03819	0.4
160.10861	0.7
161.06006	0.5
163.03917	0.5
163.07529	3.9
165.05496	0.5
167.03540	0.5
167.07063	2.3
175.07500	1.7
177.05518	0.9
179.03406	0.6
188.12857	1.6
189.05623	0.5
194.06635	0.4
201.05528	0.4
207.06506	0.4
209.15483	0.5
218.13950	0.8
230.13994	1.5
231.06606	0.5
248.15047	0.6
254.13847	0.8
271.06003	2.2
272.14893	3.0
276.12311	0.4
283.28851	0.4
285.07883	0.7
285.11331	3.4
286.08023	0.5
290.13327	0.5
290.15979	11.7
299.05499	0.6
304.15060	0.7
311.05713	0.4
313.07291	0.5
321.07678	0.5
325.07263	0.5
337.07254	0.8
339.08743	0.8
449.38467	0.4
556.18604	0.8
592.27649	100.0
593.27698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.0
55.01832	0.8
55.05490	0.5
56.68779	0.3
57.03387	1.6
61.02878	1.7
61.89030	0.3
67.05499	2.3
69.03425	8.1
69.07022	1.1
70.05805	0.7
70.06223	1.3
70.06596	1.8
71.01307	0.5
71.04936	1.2
72.08121	0.7
73.02875	1.6
79.05455	0.7
81.03415	4.2
81.07047	3.3
83.04938	0.6
84.08090	0.8
85.02898	15.6
85.06476	1.4
87.04466	2.2
91.03890	0.4
91.05431	1.3
93.06979	1.6
95.04906	1.1
95.08598	2.7
97.02881	6.4
99.04388	1.1
103.03889	0.5
105.06968	1.5
107.04904	1.0
107.08546	1.5
109.02876	2.9
109.06487	0.7
109.10103	1.5
111.04375	0.4
111.08080	0.4
112.07546	0.8
113.07946	0.4
119.04877	0.9
119.08528	1.4
121.02848	0.9
121.06490	0.6
121.10091	1.6
123.04379	1.5
123.11635	0.9
127.03908	5.8
131.04901	0.4
131.08540	0.4
133.10059	0.8
134.03586	1.0
135.11624	0.8
137.02330	0.5
137.05939	0.9
140.07053	0.5
140.86478	0.4
145.02834	0.4
145.04884	1.2
145.10077	0.6
147.04395	2.0
147.05341	0.4
147.11665	0.5
149.05928	0.8
149.13228	0.4
151.03827	1.3
153.01805	0.6
159.11623	0.8
161.05952	0.9
163.03905	0.6
163.14699	0.6
167.07002	0.4
173.13202	0.6
175.03903	0.8
177.05470	0.5
183.08057	0.7
187.03827	0.4
187.14822	0.4
189.16006	0.4
191.03297	1.1
201.05452	0.6
208.03606	0.5
209.04411	0.7
211.07494	0.6
224.04515	0.4
225.09195	0.4
227.07065	0.5
239.06955	0.8
241.15755	0.4
255.06610	0.5
267.06512	1.5
268.07312	0.4
271.05991	1.2
279.06424	0.9
283.05884	0.8
285.07520	3.7
287.05154	0.5
289.25101	0.6
293.08096	0.6
295.05838	1.2
296.06668	1.9
297.07581	0.6
303.09940	0.4
307.26230	1.0
308.06689	0.7
309.07431	0.9
311.05286	0.6
311.08859	0.3
313.07019	0.7
321.07474	1.1
321.11200	0.7
322.07993	0.5
323.05469	1.7
323.09079	0.9
324.06247	41.5
325.06918	0.9
325.27789	0.4
327.08557	0.7
335.09085	1.4
336.06097	1.0
337.07007	1.4
338.07794	0.8
339.08597	68.3
340.09152	0.4
343.09473	0.5
345.09589	1.1
349.06906	1.2
349.10721	0.5
350.07675	0.7
351.08591	2.5
353.10123	1.6
357.09637	28.6
359.09070	0.4
360.09753	2.0
361.10617	0.5
363.08569	3.0
364.09116	0.5
365.10135	1.0
365.14148	0.5
366.11066	0.4
371.11118	0.5
375.12344	3.5
377.10083	1.1
378.10907	6.7
381.09421	1.4
381.13477	1.2
391.11459	0.5
393.13287	21.3
396.12112	1.3
399.14554	3.4
409.13406	0.5
411.14340	35.2
427.13788	0.6
429.15411	100.0
430.15891	0.5
471.16562	0.6
500.95493	0.4
519.15063	1.6
573.19098	0.8
591.20526	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	591.2069
Annotation	Amorphigenol O-glucoside
Peak:m/z	Relative Intensity
53.03912	0.7
55.01841	0.5
55.05475	0.4
57.03437	2.0
59.04963	0.7
61.02925	2.0
67.05465	0.8
69.03423	8.0
69.07034	0.8
70.06548	0.4
70.07134	1.5
71.01314	0.3
71.04954	0.6
72.08157	0.4
73.02915	1.3
79.05460	0.6
81.03410	3.0
81.07052	2.3
83.08596	0.4
85.02899	13.2
85.06510	0.5
87.00806	0.5
87.04492	1.3
91.03915	0.4
91.05447	0.8
93.07016	0.7
95.04947	0.4
95.08594	2.1
97.02887	4.6
98.20861	0.3
99.04436	1.4
101.02336	0.6
103.03933	0.4
105.07010	0.6
107.04958	0.3
107.08540	1.1
109.02873	1.8
109.06489	0.4
109.10159	1.7
111.08054	0.3
111.11643	0.3
117.03309	0.3
119.04853	0.5
119.08510	0.8
120.81907	0.2
121.06483	0.4
121.10100	0.6
123.04387	0.4
123.11676	0.6
125.09577	0.3
127.03911	3.8
133.02829	0.3
133.10085	0.6
134.03656	0.3
135.11604	0.8
137.05945	0.5
139.11150	0.3
145.04970	1.3
145.10110	0.4
147.04420	1.8
147.08029	0.4
147.11584	0.4
149.05945	0.4
149.13219	0.7
151.03912	0.8
159.11649	0.5
161.02303	0.4
161.13231	0.6
163.03912	0.4
187.03831	0.4
189.01810	1.0
191.03357	1.1
201.05501	0.4
201.09113	0.3
202.02557	0.8
203.03316	0.4
219.02806	0.4
220.03648	1.4
227.06970	0.8
229.04836	0.5
231.06602	0.4
231.10152	0.3
235.07495	0.3
241.08522	0.4
246.92668	0.3
261.07233	0.3
267.06561	0.5
271.24152	0.6
279.06534	0.7
280.07285	0.6
289.25284	1.0
291.06516	0.8
293.07990	0.6
295.05960	0.7
295.09595	1.0
296.06711	0.8
307.06216	0.4
307.09738	0.5
307.26389	0.8
308.06854	1.2
309.07541	0.7
310.08383	0.3
311.09094	0.5
319.05951	1.6
321.07452	0.9
321.11050	0.4
322.08322	0.4
323.05515	0.7
323.09091	2.3
324.06262	14.4
325.06995	1.1
325.27267	0.4
333.07571	0.6
333.11166	0.5
335.05377	1.2
335.09119	2.3
336.06247	7.1
336.09888	0.3
337.07050	4.2
337.10794	0.3
337.14371	0.7
338.07813	1.4
339.08594	33.8
340.09305	0.4
349.07104	0.7
349.10870	0.4
350.07822	0.9
350.11563	0.5
351.08606	28.5
352.09229	0.3
353.09991	1.6
357.09464	1.1
360.09900	0.5
361.10706	0.5
363.08539	2.7
364.09351	0.3
365.09747	0.4
365.13849	4.4
367.07773	0.4
368.08698	0.4
369.09589	2.9
375.12335	0.6
376.96085	0.3
377.10211	0.7
378.10953	4.9
381.09613	0.6
383.14758	0.3
393.13312	32.0
394.13962	0.4
411.14355	34.5
412.14874	0.3
429.15414	100.0
430.15710	0.8
435.14395	0.6
453.15012	0.5
455.57440	0.3
471.16241	0.4
555.18683	0.4
573.19818	3.0
591.20648	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	591.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.0
55.01832	0.8
55.05490	0.5
56.68779	0.3
57.03387	1.6
61.02878	1.7
61.89030	0.3
67.05499	2.3
69.03425	8.1
69.07022	1.1
70.05805	0.7
70.06223	1.3
70.06596	1.8
71.01307	0.5
71.04936	1.2
72.08121	0.7
73.02875	1.6
79.05455	0.7
81.03415	4.2
81.07047	3.3
83.04938	0.6
84.08090	0.8
85.02898	15.6
85.06476	1.4
87.04466	2.2
91.03890	0.4
91.05431	1.3
93.06979	1.6
95.04906	1.1
95.08598	2.7
97.02881	6.4
99.04388	1.1
103.03889	0.5
105.06968	1.5
107.04904	1.0
107.08546	1.5
109.02876	2.9
109.06487	0.7
109.10103	1.5
111.04375	0.4
111.08080	0.4
112.07546	0.8
113.07946	0.4
119.04877	0.9
119.08528	1.4
121.02848	0.9
121.06490	0.6
121.10091	1.6
123.04379	1.5
123.11635	0.9
127.03908	5.8
131.04901	0.4
131.08540	0.4
133.10059	0.8
134.03586	1.0
135.11624	0.8
137.02330	0.5
137.05939	0.9
140.07053	0.5
140.86478	0.4
145.02834	0.4
145.04884	1.2
145.10077	0.6
147.04395	2.0
147.05341	0.4
147.11665	0.5
149.05928	0.8
149.13228	0.4
151.03827	1.3
153.01805	0.6
159.11623	0.8
161.05952	0.9
163.03905	0.6
163.14699	0.6
167.07002	0.4
173.13202	0.6
175.03903	0.8
177.05470	0.5
183.08057	0.7
187.03827	0.4
187.14822	0.4
189.16006	0.4
191.03297	1.1
201.05452	0.6
208.03606	0.5
209.04411	0.7
211.07494	0.6
224.04515	0.4
225.09195	0.4
227.07065	0.5
239.06955	0.8
241.15755	0.4
255.06610	0.5
267.06512	1.5
268.07312	0.4
271.05991	1.2
279.06424	0.9
283.05884	0.8
285.07520	3.7
287.05154	0.5
289.25101	0.6
293.08096	0.6
295.05838	1.2
296.06668	1.9
297.07581	0.6
303.09940	0.4
307.26230	1.0
308.06689	0.7
309.07431	0.9
311.05286	0.6
311.08859	0.3
313.07019	0.7
321.07474	1.1
321.11200	0.7
322.07993	0.5
323.05469	1.7
323.09079	0.9
324.06247	41.5
325.06918	0.9
325.27789	0.4
327.08557	0.7
335.09085	1.4
336.06097	1.0
337.07007	1.4
338.07794	0.8
339.08597	68.3
340.09152	0.4
343.09473	0.5
345.09589	1.1
349.06906	1.2
349.10721	0.5
350.07675	0.7
351.08591	2.5
353.10123	1.6
357.09637	28.6
359.09070	0.4
360.09753	2.0
361.10617	0.5
363.08569	3.0
364.09116	0.5
365.10135	1.0
365.14148	0.5
366.11066	0.4
371.11118	0.5
375.12344	3.5
377.10083	1.1
378.10907	6.7
381.09421	1.4
381.13477	1.2
391.11459	0.5
393.13287	21.3
396.12112	1.3
399.14554	3.4
409.13406	0.5
411.14340	35.2
427.13788	0.6
429.15411	100.0
430.15891	0.5
471.16562	0.6
500.95493	0.4
519.15063	1.6
573.19098	0.8
591.20526	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	591.2067
Annotation	12-Dihydrodalbinol O-glucoside
Peak:m/z	Relative Intensity
53.03907	0.4
55.01839	0.5
57.03379	1.7
61.02869	1.9
65.83096	0.2
67.04281	0.2
67.05446	0.6
69.03423	7.2
69.03770	0.3
69.55894	0.2
69.65605	1.6
70.37213	0.2
71.01315	0.5
71.04952	0.5
73.02917	1.3
79.05434	0.3
81.03406	2.1
81.07005	0.5
85.02897	12.4
87.04465	1.3
91.03886	0.5
91.05442	0.3
93.06976	0.3
95.08553	0.2
95.90334	0.3
97.02888	4.1
99.04396	0.8
101.02333	0.5
103.03915	0.5
105.03362	0.3
105.06978	0.3
107.04955	0.2
107.99609	0.2
109.02875	1.5
121.02730	0.2
127.03100	0.2
127.03907	2.5
128.15395	0.2
131.08536	0.2
133.02806	0.4
134.03584	0.7
137.05928	0.3
142.07722	0.4
145.04947	1.0
147.04338	0.4
149.05920	0.3
151.03838	0.8
159.04213	0.2
159.87805	0.2
161.05937	0.3
170.07153	0.2
171.08046	0.2
187.03751	0.3
189.05424	0.4
195.07977	0.2
197.05873	0.2
198.06662	0.6
199.03772	0.3
199.07457	0.3
201.05389	0.4
203.03258	0.3
203.06969	0.3
203.30806	0.2
205.04910	0.3
213.05496	1.2
223.07365	0.3
226.06171	0.4
227.06946	1.5
229.05006	1.1
233.04381	0.4
245.07909	0.3
247.05939	1.1
247.11403	0.2
261.09045	0.4
267.06454	0.5
271.05972	0.4
275.10629	0.3
279.06369	0.8
279.09949	0.3
280.07114	0.4
281.08133	0.2
287.10504	0.5
289.08575	0.8
291.06470	0.3
293.07974	0.7
293.11258	0.2
296.06781	0.9
303.10095	0.8
304.10880	0.5
305.11661	0.3
307.05994	0.5
307.09613	1.1
308.06845	1.0
309.07642	0.5
311.09137	0.3
312.06155	0.2
313.06989	0.3
315.10266	0.4
317.08221	0.5
321.07452	1.3
321.11191	1.3
322.11911	0.3
323.05411	0.7
323.09116	1.2
324.06226	11.6
325.06973	0.5
326.07632	0.4
331.09631	0.7
332.10391	0.9
333.11282	0.9
335.05283	0.5
335.09073	3.6
336.06265	3.0
336.09845	0.4
337.06998	0.9
337.10400	0.5
339.08597	20.0
343.09540	0.9
345.07574	0.7
346.08298	0.6
347.08987	0.4
347.12820	0.5
348.06244	0.3
349.06937	1.3
349.10724	1.0
350.07779	1.5
350.11478	0.6
351.08600	4.0
351.12292	0.6
353.10236	0.7
357.09656	3.7
359.09076	1.2
360.09866	5.2
361.10751	1.4
363.08572	7.3
363.12616	0.3
364.09396	1.8
365.10016	2.2
365.13757	0.4
369.09787	0.6
375.12256	10.8
377.10342	1.2
378.10941	16.0
379.11499	0.3
381.09625	0.8
391.11737	0.6
393.13272	53.8
394.13791	0.4
396.12024	1.0
411.14331	100.0
412.14700	1.2
417.13397	0.3
423.14258	0.4
429.15225	1.7
435.14252	1.4
447.14282	0.3
453.15518	1.1
519.14954	3.9
550.38507	0.2
555.18646	0.9
573.19611	45.3
574.19983	0.9
591.20648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2065
Annotation	Amorphigenol O-glucoside
Peak:m/z	Relative Intensity
52.83602	0.2
53.03912	0.9
55.01828	0.8
55.05484	0.3
57.03425	2.1
57.48126	0.2
61.02922	2.7
62.15469	0.2
66.60648	0.2
67.05457	1.1
69.03421	9.6
69.07043	0.3
69.70472	1.3
71.01315	0.5
71.04950	1.1
73.02909	1.4
79.05457	0.3
81.03410	3.2
81.07018	0.4
83.01271	0.5
85.02894	17.8
87.04465	1.9
91.03909	0.7
91.05450	0.8
93.06992	0.3
95.08582	0.4
97.02885	5.8
98.21544	0.3
99.04444	1.4
101.02336	0.5
103.03896	0.3
105.03338	0.4
105.07018	0.5
107.04907	0.4
109.02870	2.7
109.34208	0.2
117.03359	0.3
119.04872	0.5
119.08528	0.3
121.06429	0.3
122.03622	0.5
123.04415	0.4
127.03902	3.3
128.06181	0.3
129.06963	0.5
131.04892	0.5
133.02814	1.0
134.03566	0.3
135.04370	0.4
137.05908	1.1
143.08467	0.4
145.04901	1.4
145.06418	0.4
145.10083	0.5
147.04340	0.6
149.05983	0.5
150.03067	1.1
151.03873	1.9
151.07474	0.3
155.08510	0.3
159.04366	0.9
161.02411	0.3
161.05884	0.5
163.03889	0.6
165.05446	2.7
167.08498	0.3
171.07962	0.7
173.05806	0.3
173.09633	0.4
177.05428	0.4
183.07990	0.7
185.05904	0.5
185.09627	0.3
187.03918	0.3
189.05528	0.3
191.03375	0.5
195.07996	0.4
199.07484	0.7
200.08241	0.6
201.05371	0.7
201.09070	1.8
203.03326	0.6
203.06923	0.9
203.56284	0.3
213.05394	0.2
213.09048	0.5
215.03340	0.4
215.06819	0.3
216.07593	0.3
223.07504	0.3
226.06096	0.4
227.06970	3.7
229.04895	2.0
229.08429	0.3
231.06473	1.0
244.07288	0.8
245.08031	0.9
247.05879	0.5
251.06949	0.3
253.05066	0.3
255.11284	0.2
259.10873	0.3
265.08450	0.4
267.06448	0.7
268.07425	0.3
279.06625	0.4
279.09979	0.6
283.09869	0.3
285.07523	0.6
287.10526	0.6
289.08588	0.5
291.06522	0.4
293.08072	0.9
293.11423	0.5
295.06012	0.7
295.09311	0.4
296.06760	0.5
303.10138	0.5
304.10852	0.5
305.08319	0.4
305.11670	0.6
307.06039	0.7
307.09628	2.2
308.06705	0.6
309.07614	0.5
310.08447	0.3
311.09055	0.5
312.06320	0.5
313.07065	0.5
317.08069	0.5
318.08810	0.8
319.09683	0.4
320.06696	0.3
321.07477	1.5
321.11166	1.2
322.04752	0.3
322.08191	0.5
323.05640	0.4
323.09073	1.1
324.06238	8.8
325.06879	0.8
325.10535	0.5
327.08615	0.8
331.09540	0.4
332.10403	1.4
333.07654	0.3
333.11227	0.9
335.05530	0.4
335.09082	9.5
336.06253	1.7
336.09512	0.4
337.07047	1.0
337.10532	0.3
337.14313	0.5
338.07672	0.4
339.08585	19.1
345.07535	1.2
346.08423	1.4
347.09006	0.6
347.12744	0.6
348.06091	0.4
349.07007	1.6
349.10751	1.0
350.07706	1.3
350.11511	0.9
351.08609	4.8
351.12662	0.5
353.09991	0.4
357.09674	2.4
359.09042	0.7
360.09906	3.1
361.10638	2.8
362.07498	0.4
363.08572	11.2
363.12283	0.4
364.09262	0.6
364.13144	0.3
365.09805	1.2
365.13919	1.1
369.09595	0.3
375.12277	5.6
377.10074	2.6
378.10947	15.6
379.11563	0.4
391.12225	1.1
393.13266	100.0
394.13644	1.2
411.14331	89.3
412.14798	1.6
417.12961	0.4
429.15405	55.7
430.15775	0.9
435.14432	2.7
453.15274	0.4
501.14255	0.4
519.15045	0.9
555.18610	2.1
573.19641	5.4
591.20630	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	591.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
54.19091	0.8
55.01872	1.2
55.05507	4.1
57.03424	2.1
61.31157	0.8
65.03938	1.2
66.79719	0.8
67.05505	8.4
69.07051	2.8
70.63536	1.0
70.63864	1.9
71.04962	1.2
71.62762	0.8
77.10435	0.7
79.05490	8.8
81.03404	1.8
81.07051	7.5
83.08617	1.7
85.02889	1.4
91.05476	10.1
92.99756	2.3
93.07042	7.2
95.04961	4.3
95.08604	4.8
97.06499	1.6
97.10150	2.2
103.05473	1.3
105.07029	10.5
107.04952	26.1
107.08588	2.9
109.06494	1.9
109.10134	3.7
115.05453	1.1
117.06984	2.5
119.04937	5.9
119.08575	3.9
121.02877	0.9
121.06485	3.4
121.10130	4.9
123.04428	2.6
123.08081	0.8
125.05985	1.7
125.09628	1.2
128.06209	2.6
129.07014	1.3
131.04927	13.0
131.08557	6.2
132.05727	3.1
133.06482	14.4
133.10110	7.4
135.04355	1.8
135.08078	1.3
135.11728	2.4
137.05972	22.1
137.07013	0.7
141.06999	1.2
143.08568	2.8
145.06444	3.6
145.10118	3.7
146.07265	7.2
147.04408	1.0
147.08040	3.4
147.11661	1.7
147.43358	0.9
149.05992	4.1
149.09604	2.5
152.20969	0.9
155.08525	1.0
157.10127	1.9
159.08070	2.9
159.11707	1.2
161.05974	25.8
161.09610	37.7
162.06837	0.9
163.03908	1.4
163.07439	0.8
163.11203	1.8
171.08049	1.7
171.11713	1.0
173.09619	1.2
175.07527	1.5
177.09109	1.0
183.11757	1.1
184.07361	0.8
185.09616	1.3
191.10652	12.8
197.09625	1.3
207.06525	0.9
227.10707	1.3
227.12697	1.9
229.08563	1.9
255.10133	12.7
261.22241	1.1
267.06561	1.2
271.05997	6.7
273.03809	1.8
275.20096	1.0
283.05988	17.3
291.19736	2.1
295.06039	3.0
297.17209	0.8
307.05942	6.0
313.27414	1.6
321.07602	3.2
321.14932	1.2
323.09177	3.1
337.10623	1.4
349.10782	3.5
361.10660	3.7
371.09253	2.3
383.08951	1.0
398.07907	0.9
399.08725	4.3
413.10236	14.5
431.11267	100.0
432.11548	2.2
441.13724	1.0
443.11374	1.2
449.30240	1.0
455.14825	13.8
467.14905	3.5
485.16010	1.7
487.30399	1.1
535.12646	1.4
541.35309	3.3
559.36255	2.1
573.37146	1.0
591.20062	30.4
591.39294	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	591.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.2
52.86915	0.2
53.03937	0.5
55.01857	0.3
55.05494	0.3
57.03426	0.2
64.93947	0.2
67.05487	0.5
69.07059	0.3
70.64353	0.7
71.04992	0.2
77.03933	0.2
79.05486	1.3
81.03436	0.4
81.07050	0.7
83.04945	0.3
85.02902	0.5
85.06550	0.2
91.05467	1.7
93.07026	0.7
95.04973	1.3
95.08602	0.3
96.48998	0.2
97.06485	0.3
103.05464	2.3
105.06370	0.4
105.07028	4.3
107.04946	11.4
107.08620	0.3
109.06496	0.3
109.10171	0.2
111.04478	0.3
117.06973	0.2
117.70261	0.2
119.04917	0.8
119.08601	0.3
119.92482	0.2
121.02878	0.5
121.06490	2.1
121.10149	0.3
123.04422	5.0
123.08047	0.2
125.05965	0.6
131.04921	45.7
132.05661	0.3
133.06490	3.7
133.10069	0.4
135.04451	0.3
137.05972	5.8
145.06474	1.6
145.10123	0.3
147.04393	1.0
149.05991	2.1
149.09583	0.2
151.07526	0.5
152.06261	0.2
152.81673	0.2
157.06494	0.3
161.05975	14.9
162.06775	0.5
163.03831	0.2
163.07465	0.2
163.11153	0.2
165.07004	0.7
167.07053	0.5
167.08539	1.1
169.06450	0.3
173.05984	0.3
173.09659	0.2
174.06697	0.3
177.05469	0.3
177.06952	0.4
181.06477	0.3
189.08968	0.3
191.13786	0.2
194.07297	0.7
195.08044	3.5
196.08823	0.6
197.05939	0.7
197.09642	0.4
209.09660	0.5
211.07639	0.2
212.08293	1.8
213.08965	0.2
222.06775	0.3
223.07509	2.2
224.08311	3.6
225.05403	0.4
225.09219	0.2
227.10677	3.7
229.04958	0.3
237.08998	0.9
239.06995	0.8
240.07811	4.4
243.06561	0.3
255.10146	100.0
256.10571	1.1
277.08527	0.3
283.05975	1.1
347.05164	0.2
349.10593	0.3
357.07452	0.9
359.12753	0.4
361.10791	0.5
373.10638	0.7
375.08621	11.4
393.13150	0.3
401.10562	0.3
411.14243	0.5
485.15933	0.4
573.33997	0.3
591.20618	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87947	2.8
55.05501	5.8
55.76992	3.1
57.03413	10.6
57.06865	2.2
57.07071	25.4
61.13672	2.6
67.05487	10.1
69.07063	4.6
69.62919	22.9
70.78632	2.7
71.08627	21.4
79.05476	7.9
81.03410	39.1
81.07053	14.9
83.08630	14.0
85.10169	7.5
91.05471	8.6
91.66302	2.5
93.07028	4.5
95.04939	11.8
95.08621	15.7
97.10179	6.4
102.56601	2.8
105.06989	8.0
107.04914	2.8
107.08606	4.4
109.10144	7.0
111.78170	2.9
113.00648	2.6
119.08571	9.0
121.10102	4.0
129.07027	4.7
131.08560	3.1
133.10120	5.5
140.32321	3.3
145.95721	2.6
147.08096	3.2
147.11646	4.5
149.09595	3.2
149.13220	2.8
157.10091	6.0
175.11128	5.7
179.14471	3.1
193.12206	18.5
241.19513	3.0
253.81343	3.4
259.20654	6.8
260.20877	4.6
267.15909	100.0
281.48062	2.8
313.27347	93.7
314.27628	9.3
319.15863	3.0
333.24200	3.7
334.24216	3.4
442.54602	2.9
505.38870	65.1
590.48419	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	590.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01869	9.8
55.05505	7.8
57.03427	2.4
57.07067	7.3
58.06596	1.3
59.04989	2.3
67.05500	5.3
69.03424	10.9
69.06766	0.9
69.07066	9.6
69.34447	2.1
69.34847	8.5
70.02941	5.8
70.06584	2.9
71.04961	4.2
72.04138	1.5
72.04512	20.9
73.02912	11.8
74.02416	1.9
79.05477	3.0
79.30596	1.0
81.03409	13.4
81.07049	8.7
83.04974	8.4
83.08623	5.0
84.04533	1.1
84.08129	12.2
85.02897	11.0
85.06537	9.2
85.71202	0.8
86.09692	3.9
87.08082	3.9
87.08564	0.9
90.05547	42.9
91.05462	3.3
93.07022	4.3
95.04959	18.1
95.08603	4.1
96.08121	2.2
97.02885	12.7
97.06486	1.9
98.02409	18.5
98.09696	1.4
99.04460	6.7
99.08068	1.5
100.03978	7.2
101.06025	4.5
103.03931	1.1
103.07561	4.5
105.07013	5.9
107.08596	4.9
109.02872	29.9
109.06510	6.5
109.10179	1.8
111.04428	1.2
112.07587	2.8
113.05325	0.9
113.05996	6.2
114.09132	1.9
115.03934	1.7
116.03441	21.1
117.07028	1.3
118.05009	1.1
119.08583	3.5
121.10140	7.6
123.04407	1.0
123.08073	7.2
123.11671	5.0
124.07578	25.3
124.08477	1.8
127.03909	19.9
128.10716	4.5
130.08633	3.9
131.07024	2.4
131.08543	2.9
132.06549	7.9
132.10175	1.8
133.10129	5.7
135.08029	1.9
135.11673	1.9
137.05905	1.0
137.09622	1.2
138.05452	2.3
139.03859	1.8
142.07549	2.0
142.08611	26.3
142.09711	1.3
143.08646	1.0
145.04961	5.1
145.10088	1.6
146.11749	3.1
147.04385	2.3
147.11650	5.8
149.13277	2.2
151.07602	1.3
151.93062	0.8
153.09096	2.6
156.06596	1.0
156.10167	2.1
157.04933	1.0
158.04533	1.2
160.09715	6.4
163.03867	0.8
163.14864	1.3
165.12741	6.6
166.05051	0.9
166.08632	4.1
167.07050	0.9
167.14287	1.6
172.09677	3.8
173.13223	3.9
174.11302	5.2
174.20245	0.9
181.04951	2.6
184.09677	36.0
187.05977	2.1
191.14285	19.6
193.08606	1.3
198.07610	4.6
199.06029	8.2
202.10727	100.0
203.11456	1.8
205.07065	1.2
209.15349	7.7
211.09615	8.6
216.08699	4.8
217.07062	5.4
220.11774	26.8
226.10667	1.2
230.10214	11.4
234.09703	11.8
244.11768	5.0
262.12839	19.5
269.04404	1.0
271.06140	1.2
286.04700	1.7
290.15973	4.1
301.07080	8.7
310.12814	14.2
311.05453	2.0
328.13870	89.1
329.14227	1.5
346.14938	53.2
364.15976	74.8
365.16290	1.4
382.17062	1.8
425.21701	2.1
460.25287	2.2
529.17279	1.0
536.28491	3.1
554.29565	2.8
572.31213	4.3
590.22314	22.3
590.31635	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	589.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.2
53.16970	0.1
55.01817	0.4
55.05464	0.4
57.03377	0.5
61.02919	0.6
65.03911	0.2
67.05502	0.6
68.99728	0.3
69.03424	2.1
69.03764	0.1
69.07024	0.2
70.06556	0.1
70.76910	0.3
71.04932	0.3
71.32008	0.1
73.02845	0.4
79.01763	0.1
79.05425	0.3
80.17978	0.1
81.03410	0.8
81.06998	0.4
83.04945	0.1
83.08566	0.1
84.08064	0.1
85.02894	3.5
85.06499	0.1
87.00772	0.1
87.04398	0.3
91.03903	0.1
91.05466	1.4
93.06973	0.3
95.04974	0.5
95.08585	0.5
97.02876	1.3
97.06451	0.2
99.04379	0.3
101.02316	0.2
103.03881	0.1
103.05441	0.1
105.03306	0.1
105.06950	0.4
107.04903	0.3
107.08572	0.3
109.02882	0.7
109.06480	0.2
109.10098	0.3
119.04931	1.2
119.08492	0.3
121.02853	1.2
121.06391	0.1
121.10059	0.2
122.99549	0.1
123.04411	3.1
123.08012	0.1
125.05914	0.1
127.03100	0.1
127.03905	1.3
129.03336	0.1
131.04848	0.3
131.08511	0.2
133.02829	0.1
133.06505	0.1
133.10031	0.3
135.04337	0.3
137.05911	0.2
141.01765	0.2
141.05360	0.4
142.96513	0.1
143.08533	0.2
145.02766	0.3
145.04869	0.3
145.10001	0.1
147.03215	0.2
147.04384	3.1
149.02321	0.1
149.05878	0.3
150.50371	0.1
151.07463	0.3
153.01724	0.1
153.05359	0.1
159.02884	0.2
159.04289	0.2
161.05878	0.1
161.09557	0.2
163.03877	0.7
163.07555	0.1
165.05467	1.6
165.08948	0.1
167.03374	0.3
167.06963	0.4
167.08379	0.1
169.10030	0.2
171.07948	0.4
173.13100	0.1
174.06712	0.2
175.03828	0.2
175.07498	0.1
177.05400	0.1
179.03282	0.1
179.08423	0.3
179.10655	0.1
181.04878	0.4
181.06313	0.1
182.07185	0.2
183.06506	0.1
183.07957	0.2
184.94084	0.1
185.05899	0.2
185.09578	0.2
187.03854	0.2
187.07506	0.2
189.09077	0.9
191.03355	2.3
197.05988	0.2
197.09546	0.4
197.11623	0.4
199.07561	0.2
205.08540	0.5
207.08005	0.4
207.10091	1.9
209.04401	1.8
210.06671	0.3
211.07268	0.1
213.05437	0.1
213.08963	0.1
219.10107	0.1
225.09187	0.5
235.07500	0.2
237.05515	0.1
239.06956	0.2
253.08560	1.1
255.06448	0.7
259.05981	0.1
263.06985	0.3
266.05734	0.2
267.06265	0.2
269.07980	0.7
281.08044	4.0
283.05856	0.1
291.06485	1.2
293.08121	0.1
294.05115	0.2
295.06073	0.2
297.07538	1.1
308.06824	0.2
309.07516	100.0
310.07852	1.2
311.05322	0.1
315.08588	0.9
323.05463	0.1
323.09229	0.2
323.12717	0.1
324.06201	0.3
325.07126	0.2
327.08588	6.2
333.07529	0.4
337.06921	0.2
339.08771	0.2
341.13803	1.4
351.08575	2.6
363.08438	0.1
369.09622	0.1
375.08768	0.1
409.16592	1.6
427.17792	2.6
451.17883	0.1
452.57486	0.1
468.17297	0.3
471.12827	14.4
472.13351	0.3
477.13733	0.7
489.13855	39.6
490.14117	0.7
515.11334	0.1
571.21704	4.0
589.22797	13.1
589.31616	0.5
590.23053	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	589.2248
Annotation	8-(4-Hydroxybenzyl)-4',5-Dimethoxy-2,2',7,7'-tetrahydroxy-9,9',10,10'-tetrahydro-[1,3-biphenanthrene]
Peak:m/z	Relative Intensity
52.63914	0.2
55.05492	0.4
61.02907	0.3
67.05508	0.3
68.99786	0.3
69.03426	0.9
70.88258	0.5
70.88572	0.3
71.04953	0.4
76.29986	0.3
80.14250	0.3
81.03425	0.9
81.07037	0.7
85.02901	1.6
88.95061	0.3
91.05466	0.3
92.65543	0.3
93.07014	0.3
95.08589	0.4
97.02870	0.8
97.06509	0.3
99.04428	0.3
105.07021	0.4
107.04948	0.3
107.08593	0.7
109.02893	0.4
109.06505	0.3
109.10172	0.6
117.07011	0.3
119.08566	0.3
121.06569	0.3
123.04417	1.6
123.08002	0.3
127.03917	1.2
131.08604	0.4
145.04924	0.3
145.10118	0.3
149.05994	1.1
151.07445	0.3
157.04761	0.3
166.12959	0.3
167.07091	0.5
169.04865	0.3
175.03841	0.3
176.04507	0.6
184.04938	0.6
185.04167	1.6
187.07561	0.5
189.05237	6.5
190.06001	0.4
197.11711	0.7
201.05278	1.1
202.05998	0.4
203.06886	0.8
205.08595	0.9
209.39200	0.3
215.06822	2.2
216.07550	14.6
217.08353	2.8
219.06335	0.8
229.08316	1.6
232.07043	0.4
233.07877	1.8
245.08011	0.6
283.09961	0.3
325.07007	0.3
339.08829	0.4
341.13840	1.1
352.11490	0.6
365.12091	4.9
379.13611	13.6
391.11798	0.4
395.13132	1.9
397.15198	0.5
409.12613	1.8
426.16415	0.5
427.13651	3.3
427.17657	3.1
541.87323	0.3
548.18268	0.3
589.22504	100.0
590.22803	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	589.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01865	2.6
55.05508	2.0
57.03422	2.7
57.07065	0.9
61.02912	2.3
65.03940	0.9
67.01871	0.9
67.05499	6.7
68.99768	4.2
69.03073	0.8
69.03424	12.7
69.07055	4.6
70.06590	0.6
71.01355	1.0
71.04985	2.0
72.08125	1.0
73.02908	2.3
77.03924	0.7
79.05486	4.3
81.02967	0.8
81.03410	10.4
81.07049	12.7
83.04968	1.4
83.08612	1.5
84.08138	1.3
85.02898	21.2
85.06538	0.8
86.09716	0.7
87.00826	3.3
87.04463	1.3
91.03938	0.9
91.05469	5.6
93.07034	9.8
95.04967	6.6
95.08590	10.3
97.02879	8.0
97.06519	1.9
97.10159	0.7
99.04462	3.5
99.08080	0.8
103.03956	1.0
105.01877	3.4
105.03378	0.8
105.07024	5.1
107.04927	2.6
107.08579	5.7
109.02869	9.5
109.06527	2.2
109.10137	7.2
110.02412	0.7
111.08047	1.1
115.03870	0.6
115.05492	0.5
117.07023	0.8
119.04935	1.6
119.08575	4.0
121.02868	2.3
121.06516	3.4
121.10113	3.8
123.04415	90.8
123.11701	3.5
124.04749	0.6
125.05974	0.7
125.09585	0.7
127.03906	14.7
128.06210	2.2
129.01852	0.7
129.07045	0.8
131.04916	1.1
131.08607	1.3
133.06461	1.1
133.10126	4.9
135.04411	3.0
135.08031	1.4
135.11696	3.0
137.02298	0.8
137.05959	4.8
137.09613	0.9
137.13255	2.1
139.07523	4.2
143.08549	7.2
145.04953	5.7
145.06453	1.5
145.10104	1.8
147.02797	0.9
147.03088	0.6
147.04395	16.5
147.05501	1.2
147.08011	1.5
147.11667	1.2
149.05969	6.7
149.09579	0.7
149.13239	3.7
151.03886	0.9
151.07520	3.2
153.05444	0.9
153.09064	0.6
157.10139	1.0
159.02879	4.0
159.04204	0.8
159.08049	1.5
159.11659	0.8
160.05135	0.7
161.05998	2.8
161.09593	6.3
163.03893	3.5
163.07527	1.5
163.11237	0.9
165.05466	2.5
165.09145	1.0
167.07027	87.4
171.08041	18.8
171.11809	0.9
173.05949	1.2
173.09708	0.6
174.06755	6.1
175.03877	1.0
175.07561	1.4
175.14928	0.6
177.05461	1.0
177.09157	1.2
179.08682	0.7
179.10675	1.7
181.04895	0.6
181.08575	1.5
185.09572	1.2
187.07526	2.0
187.11044	0.7
188.04384	0.5
189.09096	42.7
189.16367	0.7
191.03357	1.8
191.07002	0.9
191.10646	1.0
191.17883	0.8
193.12384	0.6
195.08032	1.6
197.05905	0.6
197.11668	7.1
197.13197	0.8
199.07541	1.8
201.05574	0.6
201.09138	1.3
203.10660	0.8
205.08588	3.1
205.19469	0.9
207.10144	100.0
208.10449	1.0
209.04446	1.8
213.05598	0.7
213.09099	2.4
217.12350	0.7
219.10165	1.3
225.09041	0.8
227.07062	0.9
229.08672	0.7
229.71980	0.6
231.04845	2.6
231.10052	0.9
235.07483	0.6
235.13345	1.1
241.08551	2.5
251.06944	0.8
253.08536	0.7
255.06519	1.7
267.06369	0.9
269.08078	24.1
271.05893	0.8
279.06342	0.6
281.08014	3.9
291.06390	1.0
293.08084	0.9
295.05930	1.2
297.07462	0.9
303.19650	1.0
309.07532	81.3
310.07675	0.8
311.09082	1.7
323.12656	4.4
323.25607	0.8
324.06042	0.9
325.07001	1.0
327.08563	4.8
335.09036	1.1
339.08746	1.3
339.12286	1.9
341.13797	43.2
350.11288	0.6
351.08557	2.2
353.06006	0.8
358.24841	0.8
365.14102	1.2
383.14804	1.9
407.15067	1.1
408.15094	0.9
409.12335	1.0
422.16653	0.8
427.12772	3.1
427.18158	1.5
427.32135	8.2
467.16681	0.9
468.17419	5.1
471.12817	11.6
489.13861	32.2
499.12015	0.8
517.13464	1.3
545.20282	0.9
571.22003	3.6
571.30316	1.0
589.21906	10.4
589.31970	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	589.1913
Annotation	Dalbinol O-glucoside
Peak:m/z	Relative Intensity
53.03903	0.7
55.01846	0.4
55.05491	0.2
57.03432	1.2
61.02931	1.9
67.05453	0.4
68.16432	0.2
69.03426	7.0
69.07021	0.3
69.63901	0.8
69.64323	0.4
70.06560	0.2
71.01310	0.3
71.04948	0.7
72.08111	0.3
73.02910	1.1
79.05465	0.4
79.48801	0.1
81.03413	2.3
81.07015	0.5
83.01295	0.2
83.04952	0.3
85.02899	13.1
85.06480	0.2
87.04465	1.0
91.03914	0.6
91.05448	0.4
93.03372	0.2
93.06998	0.4
95.08570	0.4
97.02886	5.3
98.07803	0.2
99.04440	1.2
101.02364	0.4
103.03888	0.4
105.07003	0.3
107.04910	0.3
107.08573	0.2
109.02869	1.8
109.10106	0.3
115.03875	0.3
117.03299	0.2
119.04951	0.4
119.08537	0.2
121.02849	0.2
121.06468	0.3
121.10126	0.2
123.04299	0.1
127.03902	3.3
133.02818	0.2
133.10080	0.2
134.03575	0.5
135.04419	0.2
135.11665	0.2
137.02322	0.2
137.05922	0.3
145.04953	1.3
145.06088	0.2
145.06447	0.2
145.10092	0.2
147.04410	0.8
151.03879	0.9
161.05933	0.2
167.07011	0.2
171.08009	0.2
174.06667	0.1
175.03844	0.4
181.06326	0.2
183.08009	0.3
187.07391	0.2
191.03366	0.5
197.05908	0.2
197.11453	0.2
198.06764	0.2
208.03610	0.2
209.04337	0.2
211.07494	0.5
214.06137	0.4
223.07410	0.2
227.07024	0.2
229.05043	0.4
239.06932	0.7
241.04875	0.3
242.05638	0.5
243.06415	0.4
267.06543	1.1
268.07016	0.2
271.05688	0.2
274.09814	0.2
277.08377	0.2
279.06332	0.4
291.09964	0.3
292.10782	0.3
293.08011	0.2
295.06006	0.4
295.09406	0.2
296.06766	1.2
301.08459	0.3
302.09439	0.3
303.09958	0.5
305.07962	0.4
305.24658	0.2
307.06027	0.3
309.07468	0.2
313.06967	1.4
317.07993	0.2
319.09592	0.9
320.10126	0.4
321.07501	0.5
323.05432	0.9
323.09085	0.4
324.06253	23.3
325.06812	0.6
326.07874	0.2
329.06693	0.3
330.08524	0.3
331.09552	0.6
333.07413	0.3
334.08371	0.3
335.09143	0.4
337.06940	0.5
339.08603	44.8
340.09067	0.8
347.09106	1.0
348.09888	1.4
349.10599	0.6
351.08578	0.4
353.10107	0.2
357.09680	15.0
358.08426	0.8
359.09021	0.4
361.06900	0.3
363.08395	0.5
363.12332	2.9
364.09354	0.6
365.10056	0.5
366.10913	0.3
367.11633	0.5
373.10690	1.0
375.08536	0.6
376.09375	7.2
377.09763	0.4
381.09601	0.4
381.13477	3.4
391.11716	13.0
392.12537	0.3
393.09744	0.3
394.10388	1.8
395.11084	0.2
396.12009	0.3
399.14462	2.0
409.12796	15.0
427.13852	100.0
428.14172	1.9
451.13571	0.3
571.17999	0.2
589.18848	0.2
589.30035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01867	2.0
55.05509	0.8
57.03426	3.2
59.04984	1.4
61.02922	3.1
61.50924	0.4
63.90573	0.5
67.05496	1.5
68.99410	0.4
68.99779	1.1
69.03424	16.3
69.07056	1.6
69.66397	3.6
70.06589	5.4
71.01344	0.5
71.04977	1.6
72.08123	0.6
72.88659	0.5
73.02911	2.7
79.05460	1.0
81.03413	6.6
81.07034	2.3
83.04973	0.5
83.08587	0.8
83.74509	0.4
84.08133	0.8
85.02899	24.9
85.06515	1.0
87.00838	2.3
87.04455	1.9
91.03924	1.0
91.05470	1.7
93.07058	1.3
95.04974	1.3
95.08605	1.7
97.02883	9.6
97.06514	0.5
97.10177	0.6
98.06110	0.6
98.09695	0.8
98.13303	0.5
98.21507	0.5
99.04442	3.3
103.03952	0.7
105.01859	2.1
105.07019	1.9
107.04913	1.1
107.08578	2.1
109.02876	7.2
109.10157	1.0
112.07591	2.9
113.07887	0.8
115.03940	0.8
119.04948	1.3
119.08580	0.9
121.02926	0.7
121.06474	0.7
121.10135	1.3
123.04431	9.5
124.04778	0.9
127.03902	13.1
128.04242	0.6
129.01860	0.8
131.08583	0.5
133.06490	0.7
133.10118	1.5
135.04407	1.1
135.11559	0.5
137.02306	0.7
137.05951	0.9
137.06981	0.5
140.07066	2.6
145.04964	4.0
145.10063	1.1
147.04381	3.7
147.11676	0.8
149.05972	1.7
149.13255	0.6
151.03905	0.7
151.07555	0.9
153.01804	0.7
159.02904	2.3
159.11653	0.7
161.05856	0.5
161.09621	0.9
163.03839	0.9
163.07545	1.7
165.05565	0.7
167.07079	0.9
173.13181	0.5
175.07571	1.0
175.14586	0.5
177.05522	1.0
177.09108	0.7
179.03349	0.8
183.08058	0.5
187.07520	1.0
191.03394	1.4
197.11649	1.5
201.05438	0.9
201.08998	0.6
205.08571	5.8
206.08810	0.6
209.04388	0.8
214.06140	0.6
231.04871	0.9
242.05708	1.1
243.06566	1.9
245.04395	1.1
255.06401	0.6
260.06876	1.1
261.07547	0.8
271.06052	1.0
281.08081	1.2
287.05518	0.5
291.09872	0.5
297.07440	1.2
303.09985	1.0
309.07544	27.1
311.05502	0.7
319.06210	0.7
319.09470	2.7
320.10376	0.7
323.09045	1.4
324.06088	2.6
325.07016	1.4
327.04919	0.9
327.08609	10.5
329.14111	0.6
331.09662	1.3
333.07379	1.8
336.06223	1.3
337.06854	0.7
339.08447	3.8
339.12091	0.7
341.13800	1.4
347.09018	1.8
348.10022	2.3
351.08536	6.2
352.09036	0.6
357.09610	0.9
361.06998	2.3
361.10770	0.7
363.08136	2.4
363.12408	0.7
365.09961	0.9
366.10818	1.1
375.08759	3.1
376.09399	27.7
377.10046	2.0
379.08014	4.2
379.11859	1.0
381.09091	0.9
381.13110	1.3
382.34042	0.5
389.10162	1.0
391.11740	51.5
392.12106	1.2
394.10413	5.8
409.12769	100.0
410.13181	2.5
425.12357	0.9
426.12619	0.9
427.13724	92.0
428.14209	2.5
433.12766	1.2
451.13858	1.3
571.18127	7.9
581.81409	0.5
589.19324	7.4
589.28723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.191
Annotation	Dalbin
Peak:m/z	Relative Intensity
53.03946	3.8
55.01874	4.5
56.07115	0.6
56.43856	0.5
57.03431	3.5
57.03654	0.6
59.04979	2.4
59.17451	0.5
61.02911	3.8
65.03934	0.7
67.05498	3.0
68.99774	6.2
69.03424	31.6
70.06581	1.8
71.04990	3.2
71.63198	0.5
71.63591	0.9
73.02917	5.1
76.84558	0.5
79.05463	1.3
81.03409	25.4
81.07029	2.8
83.01346	0.8
83.05007	0.7
85.02898	54.3
87.00824	18.5
87.04459	1.4
91.03993	1.0
91.05470	3.3
93.07028	2.2
95.04934	4.0
95.08593	1.4
97.02887	18.1
99.04449	9.8
101.02382	1.6
103.03924	1.9
103.05424	1.2
105.01855	13.4
105.07043	1.2
107.04961	1.7
107.08594	1.0
109.02871	26.8
109.06528	0.8
109.10149	0.6
111.04451	0.8
115.03920	1.5
117.01829	2.9
117.07018	0.7
119.04932	1.5
119.08598	0.8
121.06477	4.8
123.04417	100.0
124.07510	0.6
127.03906	51.7
129.01842	4.2
131.04880	0.7
131.08557	1.7
133.10144	1.3
135.04428	2.8
135.08044	2.0
137.05957	1.2
139.03909	0.7
140.07013	0.9
145.04950	16.4
145.06236	1.0
145.06552	1.0
145.10121	0.7
147.02878	4.1
147.04396	10.4
147.08031	1.3
149.04773	1.1
149.05971	22.3
149.09650	0.7
153.01875	0.8
159.02876	18.0
159.04240	1.1
159.08052	2.4
161.05978	2.5
161.09624	0.7
161.84680	0.6
163.07532	20.2
165.05457	7.3
171.03012	1.0
171.04428	0.6
173.05984	1.3
175.07552	2.7
177.03925	1.0
177.05502	0.8
177.09109	10.2
187.07535	5.1
189.03932	2.7
189.05499	2.5
189.09076	1.6
191.10899	0.6
197.11702	0.8
201.09126	1.1
203.10686	1.2
205.08583	67.8
206.09048	0.7
207.06512	0.7
213.03944	2.1
215.06996	0.6
219.10205	1.0
227.06935	0.6
229.08588	2.2
231.04929	10.4
231.10175	2.6
247.09647	2.3
271.06015	1.1
271.09586	1.4
287.05524	1.5
295.05988	1.0
299.12708	2.7
313.10611	1.0
323.12784	2.3
338.04105	1.0
339.12216	1.0
341.13800	28.5
348.08075	0.7
353.06458	2.0
365.13715	6.3
371.07587	1.0
383.14978	2.7
407.14828	2.7
409.25153	0.8
427.14401	3.4
431.14862	2.9
435.12531	0.8
449.15753	1.7
539.31201	0.7
588.18329	0.7
589.19189	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	589.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.8
53.03947	5.4
55.01871	6.1
55.21672	0.7
57.03430	3.8
60.35736	0.8
61.02926	5.6
65.03921	0.9
65.26381	0.7
67.05501	5.8
68.99783	8.2
69.03423	17.7
69.07055	8.3
70.95135	2.3
71.04974	3.6
73.02910	5.0
79.05462	2.8
81.03413	21.6
81.07044	4.0
83.08688	0.7
85.02898	41.0
87.00826	15.9
91.03960	1.5
91.05489	4.5
93.07034	2.6
95.04956	5.9
95.08595	2.1
97.02884	15.8
97.06493	0.9
98.18823	0.8
99.04445	7.9
103.03925	3.2
103.05426	1.6
105.01858	10.0
105.06999	3.0
107.04982	1.9
107.08536	0.9
109.02870	19.8
109.06526	2.0
109.10159	1.0
115.03934	1.3
117.01832	2.3
117.06975	1.1
119.04909	3.2
119.08602	1.4
121.02868	1.1
121.06484	3.4
123.04417	100.0
127.03907	26.8
129.01813	5.0
129.06985	1.5
131.04941	1.0
131.08504	2.6
133.06526	1.4
133.10127	2.0
135.04410	3.6
137.05965	3.6
139.03911	1.8
141.07030	1.2
143.08511	1.8
144.05698	1.2
145.04932	8.6
145.06084	0.9
145.06480	0.9
145.10178	1.0
147.02878	3.2
147.04382	19.1
147.11615	0.8
149.05980	19.5
151.03885	16.4
151.07451	2.0
153.05470	3.5
155.08510	0.9
159.02896	12.5
159.04288	1.8
159.08060	5.7
160.05235	0.9
161.05959	2.6
161.09651	1.7
163.03929	5.0
165.05472	25.2
165.06866	1.4
167.07031	3.0
167.08421	0.9
169.04939	6.1
169.06389	1.7
171.04427	2.3
171.08002	1.4
173.06015	1.2
173.09596	0.9
175.03922	4.0
176.04636	2.3
177.05432	3.2
177.09030	1.0
183.08046	0.9
185.05914	1.2
185.09622	0.8
187.07507	11.7
187.14909	0.9
189.03891	2.3
189.05457	6.8
189.09079	4.2
189.10670	0.8
190.06207	0.9
191.06897	0.9
195.02899	1.3
195.08054	1.5
197.06038	2.1
197.11678	0.9
199.07642	1.2
201.05455	1.2
201.09013	1.0
203.07050	1.4
205.04974	0.9
205.08580	23.7
207.10144	96.3
211.07565	4.1
213.05458	2.2
213.09061	2.6
215.07011	1.6
217.04936	1.5
219.10118	7.1
221.06039	0.9
223.68137	0.9
229.08501	1.1
231.04686	4.3
231.06886	1.3
231.10153	4.3
235.07642	1.6
239.06966	4.3
242.05682	1.1
243.06487	1.0
253.08794	0.8
255.06464	1.2
257.08081	3.4
263.06854	1.7
267.06546	2.9
271.06018	1.4
272.06763	1.1
281.08084	2.5
283.05948	5.8
284.06702	1.5
285.07529	48.2
295.05994	15.1
297.07458	2.6
299.09000	1.3
305.08051	1.4
309.07565	15.6
311.05432	3.6
313.07019	1.5
321.07480	1.2
323.09009	0.8
327.08560	15.8
327.11899	0.5
335.08997	2.7
337.07068	1.0
339.08707	1.4
339.12292	11.2
340.13208	0.8
341.13806	83.6
342.14218	1.2
351.08615	8.8
353.10123	2.8
365.13806	6.6
375.08463	2.4
383.14825	25.6
393.09439	5.0
407.14792	6.2
409.16727	0.9
431.14993	3.9
449.15866	3.0
457.11191	1.9
461.80701	0.8
497.10495	3.9
513.17603	1.8
515.16479	1.5
533.12231	4.1
546.82690	0.8
553.16730	1.5
571.20709	2.4
589.21826	3.5
589.32892	1.8
598.75330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37926	0.1
56.05028	0.6
58.06351	0.2
58.06621	0.4
60.08160	6.0
63.57716	0.1
67.05500	0.2
71.07372	2.6
72.08133	0.1
77.14027	0.1
79.05514	0.1
81.07045	0.2
86.09701	30.0
91.05445	0.2
95.08572	0.2
98.20619	0.2
98.98457	2.8
98.99105	0.1
104.10737	3.3
105.07004	0.2
105.41743	0.1
107.08561	0.1
116.99462	0.1
119.08558	0.1
124.99998	18.8
125.32500	0.1
135.08018	0.2
139.83646	0.1
143.01044	0.3
166.02626	0.1
184.07329	100.0
185.07683	0.3
200.69124	0.1
205.15871	0.1
230.00259	0.1
258.11096	0.3
570.35773	0.9
588.36591	4.7
593.25177	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	589.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.28433	0.4
55.01874	0.8
57.07050	0.4
65.03924	0.5
67.05487	3.0
68.99793	1.1
69.07079	0.8
71.62202	0.6
71.62622	0.5
76.36604	0.5
77.09056	0.5
79.05464	0.6
81.03423	2.5
81.07053	1.3
85.02887	1.1
91.05473	1.5
93.07023	1.3
95.04962	3.7
95.08624	0.8
100.30102	0.5
105.07013	0.8
107.04963	1.7
109.02905	0.8
109.10134	0.7
117.07001	0.5
119.04958	1.2
119.08574	0.7
121.02838	0.7
121.06561	0.6
121.10112	0.7
123.04421	25.4
128.06201	0.5
131.04904	0.6
133.10147	0.7
135.04405	1.0
135.11615	0.6
137.02328	23.0
138.19476	0.5
139.03943	0.9
141.06981	0.7
145.10121	0.8
147.04410	11.7
149.06001	0.6
151.07567	1.1
155.08528	0.9
159.04437	0.5
159.11638	0.6
163.03862	3.3
171.08089	0.5
174.06491	0.5
179.08609	0.7
184.07285	1.1
185.05981	1.0
189.05490	0.8
189.09120	0.9
193.04984	1.8
197.05971	0.8
203.08556	0.8
207.02914	0.8
211.07486	1.0
212.01114	0.5
213.05411	1.0
221.09654	1.1
224.82672	0.5
225.05504	1.8
227.07024	1.0
233.06003	0.5
234.06831	0.9
239.03386	0.7
239.06879	1.2
249.09108	1.5
251.06845	0.6
255.06512	0.8
259.07532	4.0
261.09207	0.7
262.06256	0.8
263.06961	0.7
264.07620	0.6
267.06641	0.6
268.03775	1.7
269.07980	0.9
272.08301	1.4
273.09088	0.7
275.07132	0.8
277.08585	6.8
283.06033	0.9
285.09027	1.4
287.07010	4.2
288.07776	1.1
289.08362	0.6
290.05771	0.8
293.08188	0.6
301.08450	1.1
303.06509	0.8
305.08026	8.2
307.09656	0.8
311.07074	0.9
313.08755	1.0
315.06635	0.5
317.08298	1.0
321.09070	0.7
329.08051	1.7
330.08893	6.7
333.07584	4.4
339.10287	0.9
341.13898	0.7
343.09720	1.0
347.09262	1.4
351.10065	0.9
354.08832	2.3
355.09439	0.9
357.07520	0.9
363.09918	1.0
366.09088	0.5
367.09720	2.1
369.11258	0.6
375.10153	0.8
378.08694	0.8
379.09781	1.3
381.07071	0.8
381.11514	2.6
383.09119	0.7
391.09750	1.8
392.10403	0.8
393.11411	1.2
394.08255	0.7
395.09167	2.3
397.10641	1.4
399.12683	0.7
405.11710	0.8
406.08502	0.6
407.09375	0.7
409.10645	3.5
412.09604	1.0
419.09079	1.7
420.10083	0.8
421.10904	2.7
422.08041	0.8
423.08450	1.4
424.09219	0.7
425.10132	1.3
427.12097	3.7
429.20724	0.5
433.10971	1.2
434.07599	0.8
435.12637	1.3
437.10196	3.0
439.11859	0.9
441.09473	0.9
449.10254	5.6
453.13791	1.1
455.11276	0.8
461.10278	1.4
467.11298	1.5
479.10992	1.0
483.12210	0.9
491.11035	1.2
502.14130	0.9
503.14899	1.1
525.13312	0.7
529.12952	1.0
533.15900	0.7
543.14331	4.7
553.12775	1.4
554.13470	0.8
556.11829	1.6
561.15375	8.2
571.06921	0.5
571.13855	17.9
589.14856	100.0
590.15723	2.5
594.22791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.1
55.01868	12.0
55.05491	3.1
57.03431	2.4
57.07071	7.5
59.04985	2.8
67.05501	14.3
69.03419	17.2
69.07059	8.9
69.75924	8.1
70.02940	5.3
70.03775	1.1
70.06582	6.8
71.04960	4.6
72.04508	19.6
72.08141	5.8
73.02903	11.6
73.48281	1.2
73.48675	1.1
74.02408	2.2
75.04464	1.1
77.06656	1.3
79.05476	2.9
81.03409	17.8
81.07026	3.1
83.04979	8.7
84.04498	1.8
84.08125	7.7
85.02901	16.9
85.06535	14.3
85.10423	1.3
86.06077	1.5
86.09690	8.4
87.08077	3.0
90.05543	41.7
91.05459	4.4
93.07018	4.6
95.04955	11.7
95.08604	17.0
96.08099	4.7
97.02874	17.5
97.06516	1.7
98.02408	11.9
98.06018	1.9
98.09683	33.7
98.21445	2.4
99.04453	8.3
100.03967	6.6
101.05980	1.5
103.07565	4.5
105.07014	4.9
107.04916	2.2
107.08594	5.4
108.04417	1.4
109.02111	1.8
109.02867	31.9
109.06469	1.6
109.10155	1.3
110.02440	1.9
111.04429	2.7
112.07548	2.5
113.05995	5.3
114.09131	2.4
115.03914	1.8
116.03439	21.9
119.04905	3.4
119.08585	6.3
121.02808	1.8
121.06487	2.4
121.10137	4.5
122.48734	1.1
123.04420	3.7
123.08044	11.0
124.03929	2.6
124.07581	24.1
127.03899	25.8
130.08603	1.7
131.07019	2.2
132.06548	11.7
132.10228	1.3
133.06477	2.4
133.10086	4.7
135.11632	1.4
136.07562	1.4
137.05960	3.5
137.09569	2.8
138.05493	8.8
142.08615	26.4
144.10149	6.2
145.04950	7.4
147.04391	13.3
147.08006	1.3
147.11639	2.8
148.04732	2.1
149.02405	1.7
149.05977	1.3
149.09631	6.3
151.03802	1.9
151.07512	3.0
152.06989	1.6
153.01854	1.8
153.05533	1.1
154.08682	1.8
155.10788	1.1
156.07648	1.3
156.10217	2.8
158.04538	1.8
160.09676	5.7
161.06006	1.5
161.13261	3.7
161.77899	1.2
162.05435	1.3
163.03906	1.4
165.12695	1.7
166.08597	5.1
167.06990	3.2
171.11632	1.6
172.09673	4.7
174.11414	7.0
177.05457	2.5
181.04974	2.5
181.08487	1.3
184.09666	41.6
187.05962	3.1
189.12758	10.4
193.08633	2.0
198.07632	3.7
199.05952	6.3
202.10721	100.0
203.11314	2.1
207.06572	1.5
207.13773	18.2
211.09618	8.1
216.08578	4.7
217.05281	1.4
217.06946	5.9
218.11783	2.5
219.11993	1.4
220.11790	25.9
226.10689	2.6
230.10257	12.5
234.09703	13.7
241.04999	1.2
244.11795	3.5
252.10616	1.2
262.12830	21.6
270.13385	1.8
271.05957	2.6
283.05762	1.8
288.14359	5.0
295.05862	1.7
301.07004	5.4
309.03769	1.4
310.12778	12.5
324.24594	1.1
325.07025	1.3
328.13855	88.6
328.66898	1.2
339.08508	2.0
346.14914	22.8
364.15982	86.4
365.09979	2.4
382.16943	5.2
396.18591	2.4
405.18817	2.2
409.12842	2.7
426.29523	1.5
427.13895	3.6
433.15970	2.0
440.22589	4.0
449.87393	1.1
458.23630	3.5
469.11282	1.8
480.04803	1.2
523.11768	1.2
527.15479	2.8
552.27826	7.0
570.28937	7.7
588.20032	16.4
589.19348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71464	0.2
53.03940	0.6
55.01863	0.5
55.05501	0.6
57.03429	0.6
61.02915	0.5
65.03933	0.3
67.05508	0.9
68.05028	0.2
69.03423	2.1
69.07078	0.5
70.06589	3.1
71.04985	0.6
72.08138	0.6
73.02895	0.3
74.55006	0.2
75.04477	0.5
79.05492	1.8
81.03416	1.4
81.07056	1.7
83.04974	0.5
84.04423	0.2
84.08138	0.4
85.02901	3.0
85.06530	0.2
86.09698	0.5
87.04478	0.4
91.05481	2.6
93.07037	7.3
95.04961	1.4
95.08602	1.7
97.02887	15.9
97.06527	0.8
99.04454	0.8
103.05436	0.5
105.07024	1.8
107.04955	0.6
107.07901	0.2
107.08586	1.8
109.02847	1.6
109.06508	1.0
109.10126	0.2
111.04449	0.9
111.08081	0.6
112.07613	2.3
115.03928	0.5
117.07006	0.6
119.04954	1.0
119.08573	6.0
120.08149	0.3
121.02874	0.3
121.06512	0.9
121.10137	5.5
123.04415	1.7
123.08041	0.7
125.04273	0.2
125.06046	0.5
127.03909	100.0
128.04237	0.4
128.06180	0.3
129.06998	0.5
131.04929	0.4
131.08586	0.9
133.06464	0.4
133.10133	0.7
135.04424	0.4
135.08061	0.4
135.11700	0.3
137.02338	0.7
137.05968	0.8
138.05495	0.4
140.07060	1.3
142.07774	0.3
143.08572	1.0
145.02899	0.3
145.04941	0.5
145.06482	0.4
145.10124	1.0
147.04419	1.2
147.08046	0.5
147.11685	0.4
149.05980	1.5
149.09587	1.2
151.03943	0.4
151.07541	0.4
153.01837	0.5
155.08615	0.2
156.09340	0.4
157.06567	0.3
157.10149	0.6
159.08124	0.3
159.11690	0.6
161.05968	0.6
161.09624	0.7
163.07550	0.6
163.11147	0.3
164.08374	0.3
165.09151	0.4
166.07721	0.3
167.03423	0.3
167.07019	1.1
167.10699	0.6
171.02982	0.2
171.08058	0.5
171.11717	1.0
173.09610	0.3
175.03920	0.5
175.07509	0.5
175.11143	0.2
177.05441	0.6
179.03333	0.3
179.06947	0.4
181.04964	0.3
181.10168	0.3
184.08806	0.2
187.07567	0.3
189.09120	1.1
189.12769	0.7
191.10617	0.3
199.07571	0.2
199.11159	1.1
201.12637	0.2
203.07086	0.3
203.10735	0.5
207.06464	1.5
213.09167	0.2
217.12257	2.7
227.10674	0.6
229.13361	0.6
230.84291	0.2
233.11752	0.2
235.13234	0.2
245.11731	2.9
247.14427	0.2
255.06566	0.8
256.06839	0.5
263.12854	1.3
270.05328	0.7
271.06094	0.3
281.13889	0.9
285.07596	3.0
286.07809	0.2
287.05545	0.4
289.09155	5.2
299.14819	0.3
301.07053	0.2
321.11212	0.7
325.07047	0.3
339.12393	0.4
379.11829	0.4
425.12637	0.3
569.15027	0.2
587.16241	0.6
587.23901	0.6
587.29871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76406	0.8
53.03936	2.5
55.01863	2.2
55.05502	2.7
57.03430	2.8
59.04997	0.9
59.21431	0.9
61.02918	2.8
67.05498	5.5
68.99786	4.2
69.03419	14.7
69.07059	3.7
71.04995	4.6
71.05322	0.9
71.61462	0.8
71.61879	1.2
72.08129	0.9
73.02906	3.5
76.00011	1.0
79.05479	4.0
81.03412	9.3
81.07053	16.2
83.04951	2.2
83.08598	1.7
84.08141	1.6
85.02894	22.8
85.06540	1.5
87.00828	1.8
87.04471	2.0
91.05478	4.9
93.07030	5.3
95.04960	5.1
95.08596	4.9
97.02895	6.7
97.06527	1.8
99.04455	3.4
103.03958	1.4
103.05474	3.0
105.01839	1.0
105.07034	5.7
107.04959	4.4
107.08593	3.6
109.02859	7.4
109.06507	6.3
109.10144	3.9
111.08030	0.9
117.06995	2.8
119.04937	3.0
119.08578	5.1
121.02874	3.4
121.06503	6.2
121.10141	3.3
123.04420	32.1
123.08029	1.2
123.11646	1.1
125.09590	1.1
127.03909	11.6
127.07532	1.2
128.06213	2.7
129.05507	1.8
129.06960	2.3
131.04892	2.4
131.08569	3.2
133.06487	1.6
133.10146	2.2
135.04431	4.0
135.08054	1.5
135.11739	1.3
137.02408	1.3
137.05984	3.5
142.07803	1.1
143.00290	0.9
143.08543	5.5
145.04941	2.2
145.06453	2.5
145.10127	2.9
147.04396	5.6
147.08023	1.0
147.11703	2.1
149.05974	28.9
149.09666	1.6
149.13243	1.3
151.03882	1.3
151.07542	1.8
153.01770	1.4
153.05495	1.2
155.08568	1.1
157.06491	2.1
157.10120	1.1
159.04385	9.8
159.08078	1.4
159.11748	1.6
160.08893	1.1
161.05989	3.3
161.09689	1.4
163.03879	2.0
163.07574	2.5
165.05429	2.4
167.07045	7.8
168.07414	1.0
171.08020	4.3
172.08817	1.1
173.05969	2.2
173.09660	1.8
173.13255	1.4
175.03922	2.8
175.07585	2.1
175.11206	3.9
175.14810	1.1
177.05461	2.1
179.07056	1.2
185.05988	2.6
187.07498	6.4
188.08350	4.1
189.05493	4.4
189.09093	2.0
201.09009	1.6
201.16289	1.1
203.07059	3.3
203.10657	20.6
203.17944	1.3
205.08548	2.0
205.12199	1.2
207.06488	5.8
213.03423	1.6
213.05457	32.9
217.12250	7.9
229.12242	2.4
231.06543	1.1
239.06935	1.1
245.12128	1.0
257.09537	1.1
267.06497	1.0
271.06015	1.1
275.19937	1.3
276.20560	0.9
283.06180	1.6
285.11307	2.7
287.05542	2.2
291.06882	1.0
295.05972	14.1
299.05405	1.0
303.10065	4.4
305.08261	1.3
306.08963	1.1
307.06082	3.8
307.09607	2.0
309.07568	2.1
311.05505	1.4
319.09729	2.1
321.07626	3.8
321.11081	1.1
325.07242	1.6
325.10809	2.5
325.14511	1.3
331.09604	27.1
333.07632	2.1
334.08395	3.1
335.09207	2.8
337.07022	1.2
337.10696	3.2
339.12125	2.0
339.15833	20.9
347.05164	1.5
347.08994	6.4
349.10663	100.0
350.11191	1.3
351.08633	1.6
361.10599	2.4
363.12216	10.4
365.10178	20.6
371.12817	1.3
379.11636	5.1
381.17139	1.7
389.13824	25.1
391.11511	1.6
405.35434	1.1
407.14899	37.5
423.36005	1.4
425.11801	2.6
425.16006	4.6
425.30438	1.6
431.14835	1.1
449.15985	1.2
469.10892	1.1
487.16312	5.7
501.21136	4.2
511.16010	38.2
525.17609	2.6
527.15619	4.7
531.14734	1.6
551.18951	12.0
569.20142	64.7
570.20422	1.2
587.21161	95.4
587.29736	4.4
588.21912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76406	0.8
53.03936	2.5
55.01863	2.2
55.05502	2.7
57.03430	2.8
59.04997	0.9
59.21431	0.9
61.02918	2.8
67.05498	5.5
68.99786	4.2
69.03419	14.7
69.07059	3.7
71.04995	4.6
71.05322	0.9
71.61462	0.8
71.61879	1.2
72.08129	0.9
73.02906	3.5
76.00011	1.0
79.05479	4.0
81.03412	9.3
81.07053	16.2
83.04951	2.2
83.08598	1.7
84.08141	1.6
85.02894	22.8
85.06540	1.5
87.00828	1.8
87.04471	2.0
91.05478	4.9
93.07030	5.3
95.04960	5.1
95.08596	4.9
97.02895	6.7
97.06527	1.8
99.04455	3.4
103.03958	1.4
103.05474	3.0
105.01839	1.0
105.07034	5.7
107.04959	4.4
107.08593	3.6
109.02859	7.4
109.06507	6.3
109.10144	3.9
111.08030	0.9
117.06995	2.8
119.04937	3.0
119.08578	5.1
121.02874	3.4
121.06503	6.2
121.10141	3.3
123.04420	32.1
123.08029	1.2
123.11646	1.1
125.09590	1.1
127.03909	11.6
127.07532	1.2
128.06213	2.7
129.05507	1.8
129.06960	2.3
131.04892	2.4
131.08569	3.2
133.06487	1.6
133.10146	2.2
135.04431	4.0
135.08054	1.5
135.11739	1.3
137.02408	1.3
137.05984	3.5
142.07803	1.1
143.00290	0.9
143.08543	5.5
145.04941	2.2
145.06453	2.5
145.10127	2.9
147.04396	5.6
147.08023	1.0
147.11703	2.1
149.05974	28.9
149.09666	1.6
149.13243	1.3
151.03882	1.3
151.07542	1.8
153.01770	1.4
153.05495	1.2
155.08568	1.1
157.06491	2.1
157.10120	1.1
159.04385	9.8
159.08078	1.4
159.11748	1.6
160.08893	1.1
161.05989	3.3
161.09689	1.4
163.03879	2.0
163.07574	2.5
165.05429	2.4
167.07045	7.8
168.07414	1.0
171.08020	4.3
172.08817	1.1
173.05969	2.2
173.09660	1.8
173.13255	1.4
175.03922	2.8
175.07585	2.1
175.11206	3.9
175.14810	1.1
177.05461	2.1
179.07056	1.2
185.05988	2.6
187.07498	6.4
188.08350	4.1
189.05493	4.4
189.09093	2.0
201.09009	1.6
201.16289	1.1
203.07059	3.3
203.10657	20.6
203.17944	1.3
205.08548	2.0
205.12199	1.2
207.06488	5.8
213.03423	1.6
213.05457	32.9
217.12250	7.9
229.12242	2.4
231.06543	1.1
239.06935	1.1
245.12128	1.0
257.09537	1.1
267.06497	1.0
271.06015	1.1
275.19937	1.3
276.20560	0.9
283.06180	1.6
285.11307	2.7
287.05542	2.2
291.06882	1.0
295.05972	14.1
299.05405	1.0
303.10065	4.4
305.08261	1.3
306.08963	1.1
307.06082	3.8
307.09607	2.0
309.07568	2.1
311.05505	1.4
319.09729	2.1
321.07626	3.8
321.11081	1.1
325.07242	1.6
325.10809	2.5
325.14511	1.3
331.09604	27.1
333.07632	2.1
334.08395	3.1
335.09207	2.8
337.07022	1.2
337.10696	3.2
339.12125	2.0
339.15833	20.9
347.05164	1.5
347.08994	6.4
349.10663	100.0
350.11191	1.3
351.08633	1.6
361.10599	2.4
363.12216	10.4
365.10178	20.6
371.12817	1.3
379.11636	5.1
381.17139	1.7
389.13824	25.1
391.11511	1.6
405.35434	1.1
407.14899	37.5
423.36005	1.4
425.11801	2.6
425.16006	4.6
425.30438	1.6
431.14835	1.1
449.15985	1.2
469.10892	1.1
487.16312	5.7
501.21136	4.2
511.16010	38.2
525.17609	2.6
527.15619	4.7
531.14734	1.6
551.18951	12.0
569.20142	64.7
570.20422	1.2
587.21161	95.4
587.29736	4.4
588.21912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
54.16542	0.7
54.66535	0.7
55.01875	3.5
55.05505	1.8
57.03421	3.1
59.04982	1.5
59.30681	0.7
60.12315	0.6
61.02904	3.0
65.03898	0.9
66.92778	0.6
67.05500	3.9
68.99786	10.5
69.03069	1.2
69.03423	19.6
69.07048	2.2
69.99992	3.7
70.06574	0.8
71.04968	1.7
73.02933	3.5
79.05492	6.3
81.03418	10.8
81.07050	25.9
83.04975	1.9
84.08115	0.8
85.02419	1.4
85.02904	26.9
85.03423	1.6
85.06536	3.9
87.00816	4.0
87.04472	1.7
91.05475	6.9
93.07035	5.2
95.04948	5.8
95.08564	1.6
97.02885	12.0
97.06526	1.5
99.04449	5.9
101.02323	1.0
103.03969	1.4
103.05466	5.0
105.01855	3.1
105.07020	5.1
107.04938	3.5
107.08568	1.9
109.02869	11.6
109.06519	15.4
109.10157	1.5
115.05441	2.1
116.06259	0.8
117.07003	2.2
119.04946	2.0
119.08596	3.1
121.02931	0.9
121.06494	18.0
121.10142	1.6
123.04420	100.0
125.06001	1.1
127.03913	19.3
127.07535	2.7
128.06198	6.0
129.01823	0.9
129.06999	2.2
131.04900	1.7
131.08566	1.7
133.06480	2.5
133.10162	2.0
135.04402	3.8
135.08064	1.4
137.05972	12.1
141.06918	1.0
142.07759	1.5
143.08545	13.2
144.05762	1.0
145.04974	4.2
145.06551	3.6
145.10100	3.9
147.02876	1.1
147.04404	5.9
147.08047	3.0
147.11697	1.2
149.05971	92.0
149.09644	2.6
151.07520	2.3
154.07700	0.9
155.08566	1.5
157.06435	1.4
157.10179	2.0
158.07295	2.1
159.02933	2.4
159.08131	2.4
159.11751	1.1
160.05237	1.0
160.08806	4.2
161.05977	6.2
161.09663	1.1
161.13327	0.9
162.06860	0.9
163.03882	1.2
163.07497	5.4
165.05452	5.0
165.09126	1.0
167.07039	2.1
169.10118	0.9
171.08051	11.9
172.08844	3.2
173.05975	3.6
173.09595	3.7
173.13234	1.0
174.06778	2.2
174.10509	1.0
175.03934	3.1
175.07570	7.8
175.11174	15.9
176.08328	1.4
177.05415	1.2
177.09131	1.3
179.07030	0.9
179.08597	0.7
185.06058	1.0
185.09624	1.8
186.10429	1.1
187.07553	2.8
188.08311	14.7
189.05470	8.2
189.09105	4.4
189.12708	1.1
191.07184	1.0
191.10638	2.4
193.08612	1.0
195.07957	0.7
197.09669	1.7
198.10472	0.8
199.07507	1.1
199.85228	0.7
201.09151	2.4
201.12708	0.8
202.09904	1.0
203.07043	2.4
203.10657	69.7
205.12320	1.8
207.06506	6.2
214.09904	1.1
215.07024	1.6
215.10724	1.8
216.21423	0.8
217.12234	27.5
229.12210	6.3
231.04895	1.4
245.11703	1.1
253.10722	1.5
273.11203	1.1
275.10709	0.9
283.06061	7.7
283.09161	1.1
285.11234	4.4
295.06058	5.0
299.09201	1.7
303.10208	3.2
307.06305	1.6
307.09689	1.6
321.07544	1.0
325.10748	7.3
325.14206	1.8
331.09595	11.6
335.09210	2.0
339.12262	5.5
339.15887	69.1
349.10678	21.9
361.11172	1.0
363.12292	2.6
367.12085	0.8
379.11752	1.5
381.17264	4.0
389.13870	1.7
391.11807	1.2
407.14816	5.0
425.15994	32.6
445.15082	0.9
487.15939	25.7
501.21307	19.3
511.16364	1.9
543.22321	2.5
569.20203	1.3
587.21222	99.5
588.21844	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	587.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08870	0.3
53.03940	2.1
55.01870	2.1
55.05505	0.9
57.03426	1.6
57.07050	0.4
59.04995	0.7
61.02915	1.7
61.60037	0.4
65.03920	0.6
67.05497	3.6
68.99780	3.0
69.03422	14.0
69.07043	1.0
70.06581	1.4
70.75832	1.3
71.01372	0.5
71.04981	1.4
72.08141	1.6
73.02905	1.7
79.05482	1.1
81.03410	8.6
81.07039	3.1
83.04981	1.5
83.08614	0.4
84.08138	0.8
85.02898	18.5
85.06534	1.1
87.00832	4.5
87.04458	0.7
91.03986	0.4
91.05469	3.5
93.07043	2.9
95.04961	4.6
95.08619	2.0
97.02878	6.9
97.06544	0.8
99.04449	4.0
103.03960	1.0
105.01862	4.8
105.07024	2.4
107.04927	2.0
107.08552	2.0
109.02869	9.2
109.06513	0.9
109.10147	2.4
111.04420	0.9
112.07608	0.5
115.03925	0.5
115.05432	0.8
116.06181	0.4
117.01817	0.5
117.07031	0.7
119.04928	1.7
119.08576	1.8
121.02865	0.8
121.06499	1.4
121.10146	2.0
123.04414	73.2
123.11662	0.6
125.05977	0.7
125.09570	0.5
127.03909	17.5
128.07088	0.9
129.01816	1.2
129.06964	0.7
131.04898	0.8
131.08531	2.5
133.06459	0.6
133.10115	1.2
135.04439	3.2
135.08046	1.8
135.11702	0.8
137.05969	2.0
137.09595	1.1
140.07089	0.6
143.08519	0.6
145.04941	5.5
145.06459	0.8
145.10065	1.1
147.02925	1.3
147.04384	14.9
147.08032	0.7
149.05899	2.2
149.09598	1.4
149.13199	0.7
151.03868	0.6
151.07497	0.9
157.10023	0.5
159.02881	5.3
159.08049	3.9
159.11623	0.8
160.05145	0.6
161.05992	2.1
161.09592	0.6
163.03882	3.2
163.07535	4.4
165.05467	2.0
167.07028	1.8
171.04449	0.5
173.05957	0.8
173.09677	0.4
175.03867	1.6
175.07466	1.1
175.14806	0.8
177.05432	1.4
177.09108	7.3
177.16554	0.4
181.04903	0.5
181.08604	0.4
183.08008	0.8
185.09601	0.4
186.06659	0.4
187.07532	4.3
189.03909	1.0
189.05473	1.7
190.06253	1.4
191.07013	1.0
199.07603	0.8
201.09038	1.9
205.08578	100.0
207.06435	2.9
211.07552	0.6
213.03879	0.7
215.07077	0.8
217.08672	0.9
229.08536	1.4
231.04883	2.8
245.08232	0.6
255.06422	0.8
269.08020	1.5
271.06006	0.7
271.13196	0.8
285.07367	0.5
285.11118	1.1
287.05469	0.6
311.12775	0.8
313.07303	0.6
321.07574	1.0
321.11136	1.0
337.07169	0.5
337.10663	2.0
339.08945	1.5
339.12231	33.7
340.12677	0.5
349.10623	0.7
361.10651	0.8
363.12332	2.7
381.13315	3.3
405.13324	1.3
407.10953	0.9
425.12000	1.4
429.13235	0.9
447.14395	1.1
544.04767	0.6
569.19629	1.5
587.19360	1.6
587.29553	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	587.1756
Annotation	Phyllanthostatin A
Peak:m/z	Relative Intensity
52.14231	0.2
55.01824	0.3
55.05482	0.3
55.80772	0.2
64.50747	0.2
67.05473	0.5
69.03416	1.1
69.07018	0.7
69.42427	0.3
69.42817	2.2
70.06535	0.7
71.04940	0.5
72.08155	1.4
73.56076	0.2
73.82188	0.2
79.05468	0.5
81.03359	0.5
81.06990	0.7
83.04932	0.3
84.08104	0.4
85.02879	1.2
85.06484	0.3
86.09660	0.7
89.03905	0.3
91.05412	0.8
93.07014	0.4
95.04929	0.5
95.08558	0.8
97.02875	3.1
97.06491	0.3
98.05948	0.2
102.38541	0.2
105.06948	0.6
107.04927	0.4
107.08558	0.5
109.02819	0.6
109.06466	0.5
109.10124	0.5
117.03303	0.7
117.06955	0.4
119.04877	0.7
119.08482	0.5
121.10064	0.3
123.11611	0.3
124.07560	0.2
127.03914	1.4
131.04848	0.5
131.08479	0.4
133.10072	0.4
134.03618	2.8
137.05887	0.8
137.09505	0.3
140.07033	0.3
145.02771	0.5
145.10147	0.2
147.04385	2.3
148.04724	0.3
149.05927	0.4
149.09540	0.3
151.03879	0.5
153.01816	0.3
161.05876	0.3
163.03874	0.3
167.06992	1.7
168.06493	0.6
171.04367	0.3
175.03886	0.4
177.05411	1.0
189.05457	1.1
191.07140	0.3
191.08696	0.3
191.14287	0.3
192.07745	0.4
195.06575	0.3
207.06471	0.8
213.05429	0.7
217.10162	0.6
219.08031	0.4
230.05611	0.4
231.06413	0.4
245.09541	1.2
247.07494	0.8
256.11719	0.3
261.09119	0.7
262.09955	0.6
262.14157	0.3
265.08490	0.3
272.08328	0.3
273.09171	1.3
275.07007	0.5
282.09503	0.3
283.05984	0.4
289.08472	0.8
290.09506	1.3
292.07095	0.3
293.07996	0.7
299.05496	0.3
300.07605	0.3
300.10834	0.3
301.08612	1.8
303.06290	0.2
305.11658	0.5
307.09637	0.5
310.04666	2.0
317.08011	0.8
318.08810	3.7
319.09598	0.3
321.07349	0.6
322.04626	0.7
322.08264	1.0
323.09106	0.3
325.07059	5.6
328.07297	0.5
329.08051	1.4
331.06000	0.3
333.11166	5.1
336.06348	0.5
336.09836	0.9
337.06970	1.2
337.10690	1.1
339.08646	0.4
345.07538	1.3
346.08304	10.6
349.07050	0.4
361.10669	26.1
362.10977	0.3
363.08527	0.6
364.09363	10.9
379.11725	74.9
380.12054	0.7
407.11227	6.0
425.12274	100.0
426.12402	0.5
444.15274	0.4
489.91287	0.3
587.31494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18005	1.2
53.03934	1.9
55.01872	1.5
55.05499	3.7
57.03430	3.0
63.05849	1.1
67.05489	5.8
69.03419	11.3
69.07060	3.1
70.06571	3.8
71.04993	1.4
71.61932	1.8
72.08149	2.1
75.04474	1.4
78.05417	1.0
78.31693	1.1
79.05486	10.1
81.03397	5.8
81.07056	9.2
83.04984	2.5
84.08141	2.2
85.02906	10.0
85.06537	1.8
86.03203	1.2
87.04473	1.5
91.05465	14.3
93.07034	36.3
93.07619	1.8
95.04961	5.8
95.08588	9.0
97.02881	100.0
97.06514	2.6
98.09671	1.6
99.04452	4.7
103.05421	1.6
105.01797	1.2
105.07017	11.6
107.04968	3.3
107.08600	9.8
109.02876	3.7
109.06508	3.7
109.10143	3.4
111.04457	4.4
111.08085	2.5
112.07590	2.0
115.03914	2.9
117.05492	1.4
117.07030	5.8
119.04939	2.9
119.08572	45.5
121.02852	2.2
121.06511	4.4
121.10132	30.6
123.04383	8.9
123.08035	2.8
124.03956	1.3
125.05981	3.4
127.03897	6.5
128.06198	2.0
128.10725	1.3
129.06995	2.4
131.08580	6.9
133.06468	3.2
133.10123	4.0
135.04369	1.7
135.08052	4.0
135.11674	2.4
137.02321	2.3
137.05960	5.4
139.11089	1.6
143.08574	5.9
145.05006	1.5
145.06540	2.0
145.10043	7.4
147.04402	7.4
147.08044	4.8
147.11652	2.8
149.05978	6.1
149.09608	10.0
151.03918	1.4
151.07520	2.4
153.05525	2.0
157.10141	3.7
159.08017	2.2
159.11684	3.3
161.05972	3.4
161.09628	4.3
163.07587	4.1
163.11217	3.0
164.08276	3.3
165.05450	1.4
165.09091	2.9
167.07040	4.5
167.10657	2.7
168.07336	1.8
171.08002	3.3
171.11664	4.0
173.09576	1.7
175.03862	1.9
175.07483	2.9
177.05449	3.0
177.09084	1.5
181.10150	2.5
187.07610	2.2
187.11221	2.5
189.09100	10.2
189.12723	4.2
191.10661	3.6
193.08650	2.0
199.11180	7.4
201.12723	1.9
203.10683	3.1
217.08813	1.4
217.12227	23.3
227.10689	4.3
233.11870	1.3
235.13263	1.6
245.09534	1.0
245.11713	26.4
253.14336	2.6
263.12775	20.8
268.99622	1.4
281.13834	19.5
283.05936	2.1
285.07635	1.4
307.05984	2.3
309.07556	2.8
310.07867	4.2
311.05457	1.7
321.07611	3.5
322.07767	1.6
333.07700	2.8
334.08054	4.2
335.09045	1.5
337.06921	1.5
338.07190	1.7
338.10892	1.8
339.12137	3.2
348.09424	1.7
349.10596	2.8
351.08151	2.0
364.12665	1.6
382.13577	2.7
388.12283	1.7
406.13510	3.4
424.06287	1.7
425.17239	1.5
496.13278	1.4
544.18854	1.6
568.18933	14.5
569.19385	1.7
586.19202	6.7
586.28864	2.0
587.20721	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	585.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01872	1.0
57.03440	1.5
61.02927	1.3
65.03918	0.2
66.31008	0.2
67.05502	0.5
68.99784	1.0
69.03427	8.5
69.07033	0.3
71.01354	0.3
71.04983	1.1
73.02914	1.6
81.03413	6.5
81.07031	0.6
83.01330	0.3
85.02901	12.5
87.00825	4.5
87.04473	0.2
91.03926	0.3
91.05447	0.3
95.04960	0.2
95.08611	0.4
97.02890	3.9
99.04449	2.3
101.02403	0.3
103.03945	0.9
105.01871	2.4
105.06986	0.2
109.02871	6.3
115.03909	0.3
117.01838	0.5
119.04919	0.3
121.02843	0.3
121.06477	0.2
123.04425	1.4
127.03908	8.8
129.01828	1.3
129.07002	0.2
135.11671	0.2
137.02385	0.2
145.04959	1.8
145.06355	0.3
147.02882	0.6
147.04326	0.4
149.05949	1.0
153.01762	0.2
157.06424	0.2
159.02879	1.9
165.01938	0.2
177.01790	0.4
183.02931	0.2
187.06021	0.3
189.03891	0.3
189.05412	0.2
195.02959	0.2
197.05937	0.2
201.05408	0.3
201.09074	0.6
211.07407	0.2
213.03937	0.5
219.06436	0.2
220.08876	0.3
229.04912	0.3
231.04910	1.5
234.28777	0.2
239.07039	0.5
245.09755	0.3
248.08171	0.3
255.06483	0.4
263.10699	0.5
267.06555	2.2
271.05978	0.5
276.07831	0.4
279.06409	0.3
281.08167	0.4
283.06009	9.1
291.10120	0.5
293.08069	0.5
295.06000	3.3
295.09641	0.9
297.07526	0.4
305.08029	0.3
307.06006	1.9
308.06769	2.0
309.07556	1.1
309.11169	0.8
319.09647	3.4
321.07672	1.5
322.08340	2.6
325.06973	0.7
333.07953	0.3
335.09015	0.4
336.06281	0.3
337.10675	100.0
338.11072	1.2
349.06763	0.2
349.10748	0.4
360.76398	0.2
361.10620	0.6
367.11517	0.3
379.11777	2.4
403.11636	0.3
499.16147	1.7
567.14270	0.3
585.15625	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	584.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.1
57.07061	14.1
66.74351	3.9
67.05490	6.5
69.03411	5.1
69.07067	10.5
70.06573	7.6
71.62299	6.3
79.05476	11.0
81.07032	20.2
83.05008	5.3
89.06028	4.9
91.05461	19.0
93.07009	24.7
94.77607	3.7
95.04962	6.8
95.08614	24.2
105.07011	41.7
107.08582	21.1
109.06500	6.9
109.10178	12.2
110.70991	3.9
116.03484	3.6
117.07006	6.5
117.07843	3.7
119.08567	46.0
120.09277	4.0
121.10137	16.3
123.08086	5.6
128.06218	5.6
129.06984	5.8
130.07771	4.2
131.08566	21.8
133.10138	20.8
135.07993	8.5
135.11639	4.6
137.09592	6.8
142.07806	8.9
143.08556	14.5
144.09294	6.3
145.10121	33.6
146.11725	5.3
147.08060	12.0
147.11685	11.1
149.09566	5.6
151.07507	4.6
154.07819	5.0
156.09335	5.6
157.10114	31.5
158.10764	5.0
159.08098	4.3
159.11662	23.7
161.09665	7.0
163.11127	7.8
165.09129	13.5
167.08519	5.3
169.10100	11.9
170.10799	7.0
171.11671	15.8
173.09773	4.4
173.13283	10.0
175.11104	8.9
175.14827	11.3
179.08380	4.1
181.10063	4.7
181.12253	5.8
182.10870	6.2
183.11710	16.1
185.13226	10.4
186.60315	4.6
189.12782	7.5
193.10132	5.1
193.12148	5.8
195.11668	11.7
197.13231	9.0
203.14256	11.9
207.11871	5.0
207.13754	4.4
209.13242	8.5
211.14801	9.4
219.13776	7.5
221.13316	8.6
221.15323	48.8
223.14845	11.0
234.16119	7.4
235.14719	6.3
247.17043	7.0
249.16365	4.2
256.26401	5.2
283.26266	5.1
299.19876	5.5
300.28870	15.2
311.29419	17.1
325.21576	12.0
352.23959	58.7
365.24619	10.9
398.27911	7.6
404.30716	5.2
412.29593	11.3
438.31207	13.3
491.35175	9.9
492.35507	6.5
504.35968	100.0
505.35815	5.2
584.42273	19.9
584.55981	56.4
601.51630	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	584.358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41101	0.5
51.02370	0.7
53.03955	0.5
56.59091	0.6
57.85323	0.5
69.07076	0.8
73.20197	0.5
76.47186	0.6
77.03923	0.7
79.05494	5.1
81.07050	1.0
83.84116	0.6
87.04466	4.6
89.06030	30.4
89.94770	0.6
91.05473	4.3
93.07041	4.6
95.04953	2.1
95.90428	0.6
103.05473	4.7
105.07027	100.0
106.07324	0.8
107.07069	1.6
112.10146	0.5
112.57915	0.6
119.04952	1.4
119.08557	2.9
121.06506	19.1
121.10186	0.7
129.06981	2.8
130.08667	1.3
131.07088	1.0
131.08553	2.7
133.08601	22.1
133.10130	0.9
133.86980	0.7
139.58847	0.6
145.06480	1.2
145.10182	1.0
147.08031	14.9
149.09612	3.7
165.09126	4.9
177.11209	10.0
177.12672	1.0
183.30206	0.6
209.11739	2.2
221.13733	1.3
223.11172	1.4
225.12735	8.9
249.12843	1.1
251.14365	1.1
253.14301	0.7
267.13583	0.7
269.15372	4.9
271.15488	2.4
313.17960	1.2
315.18149	1.8
349.03552	0.6
359.20645	19.3
359.25107	0.9
373.21509	3.2
375.26123	0.7
419.24088	0.7
463.26935	16.8
463.33163	1.2
492.35538	2.2
567.32904	4.3
584.41602	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	584.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
61.57282	0.5
61.77213	0.5
67.05508	0.6
71.36089	0.7
75.87043	0.4
79.05495	4.0
81.07034	0.9
87.04469	3.9
89.06026	26.9
91.05473	4.6
93.07041	4.2
94.54781	0.5
95.04987	2.9
95.08588	0.6
103.05457	4.6
105.07025	100.0
106.07381	0.6
107.04963	0.7
107.07047	1.4
107.08598	1.0
117.06997	1.0
119.04935	1.8
119.08576	2.7
121.06502	20.8
128.06168	0.8
129.07013	1.4
130.08655	1.5
131.07043	1.2
131.08560	3.5
133.08592	16.4
133.10175	1.6
135.11751	0.6
145.10103	0.9
147.08040	13.9
149.09644	2.8
157.10182	0.5
159.11710	0.5
165.09102	5.1
173.09685	0.5
175.09634	0.6
177.11218	7.2
181.10254	0.6
209.11702	1.3
209.13406	0.7
221.13712	0.8
223.11108	1.0
225.12724	4.9
227.12883	0.6
249.12781	0.5
251.14403	1.0
256.26282	0.9
269.15393	2.5
271.15421	1.1
313.18027	1.1
315.18097	0.8
359.20621	14.1
368.37357	0.5
373.21832	1.9
398.12650	0.5
412.14725	0.9
415.50873	0.6
419.23853	0.5
425.15930	0.6
426.16388	1.6
427.17014	0.9
440.14294	0.8
441.18948	1.0
442.19592	2.7
453.14713	1.3
454.16019	0.8
463.26883	13.7
468.18005	2.7
469.17972	1.7
470.19174	2.1
482.14975	3.3
483.16052	1.1
492.35794	1.1
497.17569	0.7
556.22675	0.9
567.33032	3.1
584.22180	22.0
584.42279	2.1
585.22107	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	584.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.0
53.03943	0.1
55.01870	0.1
55.05521	0.1
56.25841	0.0
57.03423	0.2
60.04520	0.1
61.02921	0.2
65.03923	0.1
66.04709	0.1
67.05508	0.1
69.03419	0.4
69.07081	0.1
69.87205	0.3
71.04955	0.0
73.02911	0.1
75.81287	0.0
77.03938	0.1
78.04691	0.7
78.05091	0.1
79.05489	0.5
81.03416	0.3
81.07058	0.2
85.02894	1.2
87.04464	0.1
91.03960	0.1
91.05466	0.3
93.03381	0.1
93.07040	0.2
95.04963	0.3
96.05743	0.1
97.02895	0.5
98.20657	0.1
99.04481	0.1
103.03957	0.0
103.05449	0.2
105.03331	0.1
105.07027	0.4
106.04141	0.5
107.04275	0.1
107.04959	1.0
107.08622	0.1
109.02855	0.2
109.06526	0.1
110.87724	0.0
115.03895	0.1
115.05426	0.1
119.04939	0.1
119.08599	0.1
121.02874	0.1
121.06483	0.4
122.03661	0.1
123.04416	2.3
123.08059	0.1
124.05202	1.1
125.05991	0.1
127.03909	0.4
131.04948	0.1
133.06458	0.5
133.10167	0.1
134.03604	0.2
135.04459	0.1
137.05939	0.3
143.08559	0.1
144.06552	0.1
145.04901	0.2
147.04315	0.1
147.08052	0.1
149.05956	0.6
151.03891	0.4
151.07541	0.1
152.04654	0.9
154.06279	0.1
155.07045	0.1
161.05966	0.6
162.07617	0.4
163.07497	0.1
165.05482	0.1
166.06271	0.2
167.07021	100.0
168.04189	0.1
168.07373	0.4
173.05952	0.1
175.07474	0.0
179.06989	0.4
180.08751	0.5
181.08569	0.7
191.07050	0.1
193.08591	4.1
195.10167	0.1
197.06030	0.1
200.07831	0.1
205.08551	0.1
207.10062	0.1
211.09636	17.6
212.10118	0.1
216.33525	0.0
223.09621	0.1
227.80597	0.1
235.09572	0.1
239.09085	0.1
266.99713	0.2
319.11642	0.1
335.08914	0.1
390.18005	0.1
400.92737	0.0
422.06662	0.1
584.19824	0.1
589.31213	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
63.02409	0.3
63.18684	0.3
65.03921	0.3
65.71155	0.3
67.05493	0.7
68.40506	0.3
68.99805	0.4
69.03430	2.4
69.07064	0.3
70.06583	1.5
71.04984	0.6
71.61541	0.4
71.61942	0.3
72.08149	0.9
73.02921	0.5
75.04465	0.5
78.03437	1.1
79.05482	0.5
80.05016	0.6
81.03413	0.9
81.07059	0.7
83.04972	0.9
84.04488	0.4
84.08127	1.3
85.02878	1.9
86.06095	0.3
86.09671	0.6
87.04478	0.5
89.93767	0.3
91.05469	0.9
93.07008	0.9
95.01332	1.3
95.04956	0.6
96.04500	0.7
97.02885	100.0
98.09686	0.4
99.04434	0.6
100.11232	0.7
105.07012	0.4
106.02908	7.8
107.04939	0.6
107.08554	0.7
109.02882	0.8
110.03658	4.3
111.04433	1.5
112.07574	0.3
119.04974	0.4
121.06539	0.5
121.10185	0.6
123.04409	1.0
123.08037	0.3
124.03951	9.5
125.05988	15.9
127.03925	2.7
128.07059	0.4
133.10141	0.4
135.08110	0.4
136.06178	6.3
136.07240	0.5
136.07614	0.3
137.05925	0.4
138.05493	4.5
139.03908	3.2
145.02826	0.4
145.04959	0.4
147.04391	1.5
147.82976	0.3
152.07057	0.4
153.05453	29.5
154.04997	0.5
154.06248	10.1
155.06947	0.4
167.07048	1.0
170.05719	1.6
173.13263	0.4
175.03809	0.7
175.15062	0.4
177.05447	0.6
182.15437	0.7
184.07280	0.4
185.08083	43.8
196.06010	2.3
196.13429	0.5
197.08115	0.4
198.11168	0.5
207.06519	0.7
210.14862	0.4
216.12473	0.4
220.06030	29.8
238.07106	6.2
246.14853	1.2
246.65019	0.6
254.06715	0.8
256.08096	0.6
263.09232	0.6
270.05249	0.4
271.06009	2.6
272.06171	0.7
285.07553	1.5
324.34094	0.4
330.19235	0.7
345.02823	0.7
400.12381	15.5
404.22385	0.4
422.15173	0.3
422.23880	3.0
538.19482	0.5
547.51819	0.3
584.20648	0.6
584.29132	1.8
584.39984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74181	1.5
53.03934	2.1
55.05498	8.1
57.07064	6.1
59.04990	2.8
59.16276	1.4
64.39851	1.6
65.03938	2.2
67.05503	15.7
69.03413	3.0
69.07059	9.9
70.69762	3.4
79.05482	11.8
81.07057	21.0
83.04969	5.0
83.08615	6.2
84.12934	1.7
85.06538	3.7
91.05479	20.8
93.07043	31.4
95.04964	7.3
95.08600	20.9
96.44148	1.5
97.06532	4.9
98.20770	1.6
103.05436	2.4
105.07027	42.8
107.08594	31.1
109.06509	4.9
109.10143	19.6
111.08067	1.8
113.09653	2.0
117.07037	7.2
119.08578	48.2
121.06490	2.5
121.10136	34.6
123.08067	9.7
123.11709	5.3
128.06258	5.0
129.07037	7.8
130.07756	2.7
131.08563	17.6
133.06496	2.4
133.10129	25.2
135.08066	7.3
135.11702	11.3
137.09618	5.0
141.06995	3.3
142.07780	10.8
143.08563	21.2
144.09357	3.1
145.06519	2.3
145.10106	32.3
147.08063	6.5
147.11676	11.9
149.09648	6.7
149.13232	3.1
151.07582	7.6
155.08546	9.2
156.09338	7.9
157.10097	31.5
158.10921	3.1
159.08052	4.5
159.11671	18.3
161.09592	3.2
161.13210	3.4
161.87402	1.8
163.11223	4.1
165.07011	2.4
165.09158	7.3
167.08568	4.3
167.10663	19.1
168.09370	3.5
169.10123	15.1
170.10895	4.2
171.11688	19.6
172.12444	2.0
173.09669	3.8
173.13228	14.1
175.11183	4.5
175.14859	5.0
179.08612	7.5
179.10527	2.0
180.09398	3.6
181.10196	7.0
181.12282	4.8
182.10959	3.6
183.11674	17.9
184.12508	2.6
185.13260	11.7
187.11105	2.0
187.14841	6.3
189.12874	3.7
191.14418	3.8
192.09364	3.6
193.10162	6.3
194.10893	4.5
195.11714	12.7
195.13307	2.3
196.12450	3.5
197.13254	16.2
199.11174	2.4
199.14722	9.5
201.12831	2.3
201.16382	3.2
203.14365	4.5
205.10161	2.1
205.22505	2.1
207.11737	12.2
207.13647	2.5
208.12491	5.6
209.13260	14.1
211.11316	2.0
211.14850	7.7
212.15462	2.2
213.12808	2.7
213.16502	3.8
215.14301	2.4
217.15916	5.0
219.11749	5.8
219.17494	2.4
221.13283	10.2
221.15424	16.4
223.11253	1.9
223.14769	9.4
225.12849	2.2
225.16499	6.5
227.14207	2.5
229.15923	3.1
231.11688	3.5
232.12442	3.4
233.13284	4.8
233.15454	8.0
235.14888	4.9
236.15636	2.6
237.16368	6.2
239.14133	1.9
239.17976	3.7
245.13219	4.4
247.14833	4.0
247.17082	2.4
249.16461	6.1
251.17947	3.4
257.19116	3.0
259.14783	3.9
260.15695	2.6
261.16501	5.8
262.17224	1.6
263.18140	4.2
265.19641	4.7
267.21188	1.7
269.18906	4.1
271.20932	2.2
273.16260	3.0
275.17871	3.7
277.19504	4.1
281.19095	2.8
283.20572	7.3
285.18564	2.0
289.19479	1.9
293.19162	2.5
295.20465	3.4
297.22260	2.1
303.21051	2.4
305.19125	2.4
317.22888	2.2
331.24304	3.2
335.23788	3.7
349.25348	5.0
361.25336	2.5
375.27200	4.0
403.30023	3.4
427.30234	2.2
439.02533	1.8
491.35254	6.3
520.64374	1.9
547.39063	5.4
565.40448	20.5
583.00262	1.9
583.41479	100.0
584.42194	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.9
57.07085	5.8
59.04972	4.2
67.05502	17.9
69.03416	8.7
69.07055	7.5
69.42982	14.4
69.43407	12.4
71.08651	2.7
79.05495	14.0
81.07049	21.2
83.04970	4.5
83.08615	4.8
85.06538	5.1
91.05464	27.1
93.07032	40.1
95.04970	9.2
95.08597	29.8
98.98445	6.9
105.07024	49.0
105.07672	4.6
107.05009	4.4
107.08608	22.5
109.06525	8.8
109.10146	14.9
115.05419	3.1
117.07031	7.0
119.08569	38.4
121.10141	21.0
123.08045	20.5
123.11730	5.2
128.06165	3.6
129.06961	6.7
131.08566	15.1
133.06531	4.0
133.10098	23.8
135.08083	12.3
135.11697	6.9
137.06004	5.1
137.09627	10.9
139.11153	2.6
142.07790	8.2
143.08600	16.8
144.09290	4.7
145.10135	20.4
147.08037	22.3
147.11705	8.2
149.09590	6.2
151.07486	20.4
155.01050	9.0
155.08542	8.0
156.09367	13.0
157.10129	30.2
159.11678	12.0
161.13240	6.7
163.11234	3.6
165.07014	3.7
165.09105	41.3
167.08592	6.9
168.09354	3.7
169.10139	15.2
170.10912	8.0
171.11702	14.2
173.13210	7.1
175.14832	6.0
179.08548	4.8
180.09335	4.2
181.10149	10.3
183.11726	9.8
185.13248	11.6
187.11278	3.4
189.12808	5.1
193.10159	8.0
194.10890	7.4
195.11725	12.4
196.12378	3.1
197.13258	12.9
199.14905	5.0
203.14326	13.8
206.10950	3.3
207.11676	8.2
207.13751	7.4
208.12532	3.8
209.13293	11.2
211.14806	6.9
219.11630	5.1
221.13359	7.3
221.15309	54.1
223.14867	4.5
231.17429	4.1
233.13234	3.2
235.14784	6.2
273.16647	3.2
275.17795	5.2
279.21152	2.9
281.19012	3.3
295.20706	3.6
297.22122	3.5
299.20255	4.6
341.30750	5.3
342.20676	3.1
375.26910	4.0
403.29794	6.7
503.35046	5.5
565.40430	23.2
583.41345	100.0
584.41888	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	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.4
55.05296	2.0
55.05513	24.0
57.07068	14.0
59.04987	5.3
62.21639	2.2
65.03951	3.3
67.05497	28.1
69.03423	7.2
69.07063	23.0
70.76833	6.3
71.04997	3.0
79.05492	32.6
81.07057	38.2
83.04984	11.2
83.08614	12.2
85.06544	6.6
91.05475	51.9
91.06005	4.5
93.07039	63.7
95.04977	17.0
95.08603	44.1
97.06522	5.2
103.05436	5.7
105.07024	96.9
106.07843	2.7
107.04944	2.8
107.08585	48.3
109.06518	12.3
109.10156	25.7
111.02138	2.0
111.08049	3.5
115.05445	6.3
116.06319	2.7
117.07005	21.1
119.08580	100.0
121.06488	7.7
121.10137	56.8
123.08040	16.0
123.11696	8.0
125.05965	5.8
125.09633	3.3
128.06215	14.4
129.06992	19.9
130.07799	9.7
131.08559	42.8
131.09508	3.5
132.09235	2.4
133.06468	3.8
133.10120	50.1
133.11076	4.4
135.08052	12.0
135.11699	19.5
137.09589	12.2
141.06981	11.0
142.07787	27.7
143.08551	42.5
144.09349	9.0
145.06448	3.0
145.10126	64.4
145.11278	3.9
147.08031	20.0
147.11665	16.6
149.09636	7.9
149.13293	4.4
151.07556	10.8
153.06982	5.3
153.09073	2.7
154.07797	3.2
155.08569	20.6
156.09328	26.1
157.10112	73.3
158.10912	8.6
159.08073	6.8
159.11685	30.7
161.09625	6.6
161.13243	9.7
163.11209	8.3
165.06995	7.8
165.09099	28.1
166.07776	5.4
167.08582	14.6
167.10667	20.0
168.09285	11.2
169.10120	40.6
170.10910	9.8
171.11687	41.6
172.12434	2.7
173.09608	5.8
173.13240	28.8
175.11172	6.6
175.14818	11.1
179.08533	16.8
180.09378	9.6
181.10138	24.2
181.12248	6.1
182.10878	9.3
183.11697	39.4
184.12488	12.8
185.13266	20.7
185.29182	2.2
187.11156	2.4
187.14833	9.4
189.12856	6.8
189.16385	2.7
191.08635	3.1
191.14325	7.3
192.09309	6.8
193.10156	19.8
194.10825	14.2
195.11671	30.8
195.13452	3.8
196.12515	8.3
197.13263	27.4
199.14844	17.5
201.12756	3.0
201.16400	3.0
203.14290	11.5
205.10136	6.4
206.10909	11.1
207.11729	23.9
207.13762	7.1
208.12532	9.7
209.13243	36.4
209.15106	3.7
210.14122	6.2
211.11211	2.8
211.14879	14.4
213.12804	3.4
213.16418	5.9
215.14290	4.1
217.10115	5.2
217.15836	15.1
219.11784	10.8
220.12408	10.9
221.13255	19.0
221.15413	59.7
223.14830	15.7
224.15759	2.4
225.16469	7.2
227.14371	4.2
229.15805	3.1
230.10880	3.4
231.11722	8.5
231.17439	4.5
232.12430	5.3
233.13292	17.5
233.15244	4.0
234.13994	6.9
235.14760	14.0
236.15643	3.1
237.12753	3.8
237.16415	8.8
239.17982	4.1
242.65515	2.3
243.11732	3.3
243.17461	3.2
244.12569	2.5
245.13348	10.8
246.14023	7.4
247.14854	11.7
249.16246	11.4
251.18095	6.1
255.17403	2.7
257.13223	4.1
257.19055	7.3
258.14059	2.9
259.14853	8.0
260.15543	5.4
261.16321	15.8
263.17987	7.8
265.19537	9.8
269.19022	2.6
271.14902	4.2
272.15668	3.4
273.16409	6.0
275.17889	16.1
277.19388	5.2
281.19107	3.3
283.20483	20.7
287.17886	5.8
289.19452	6.8
291.20834	2.7
293.19263	2.8
295.20581	5.0
307.20834	2.5
309.22137	3.4
331.24234	8.2
347.23428	2.7
349.25037	10.4
375.26831	7.9
385.28522	2.9
403.30011	4.4
491.35333	6.4
503.35318	3.6
565.40564	21.8
583.41449	93.1
584.41711	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03936	1.5
55.01863	0.7
55.05508	3.2
57.07064	2.3
59.04983	1.2
65.03929	1.4
66.95324	0.5
67.05499	6.5
69.03410	1.8
69.07060	4.9
69.45354	1.4
69.45756	3.5
69.66150	0.5
73.19898	0.5
77.03938	0.8
79.05482	9.0
81.07050	9.3
83.04965	1.7
83.08607	2.2
85.06531	1.9
87.04459	1.3
89.06023	8.2
90.24557	0.5
91.04959	1.1
91.05479	12.5
93.07037	16.3
95.04965	5.9
95.08595	10.3
97.06504	1.2
98.21478	1.4
98.98546	0.6
102.17112	0.7
103.05466	4.2
105.07022	100.0
106.07351	2.5
107.08585	10.8
108.05740	0.6
109.06504	2.0
109.10155	5.3
111.08085	1.2
115.05437	1.0
116.06239	0.7
117.06989	3.8
119.04950	0.9
119.08572	20.9
121.06502	11.7
121.10134	13.9
121.11007	0.8
123.08038	5.6
123.11698	1.8
125.09642	1.1
128.06204	2.7
129.06944	5.0
130.07771	1.8
131.08556	9.1
133.06517	0.9
133.08600	4.3
133.10118	10.7
135.08020	3.3
135.11687	4.2
137.09601	3.5
139.11200	1.0
141.06998	2.0
142.07764	4.9
143.08556	9.2
144.09328	1.9
145.06558	0.7
145.10117	14.0
147.08064	5.3
147.11694	4.8
149.09631	2.5
149.13306	1.1
151.07510	4.7
153.06946	0.8
154.07782	1.0
155.08554	4.2
156.09308	4.7
157.10109	14.2
158.10912	2.0
159.08061	1.1
159.11674	7.8
161.09604	1.6
161.13275	2.0
163.11127	1.3
165.06972	1.8
165.09108	14.8
166.07832	1.1
167.08505	2.7
167.10666	3.3
168.09303	1.2
169.10123	8.3
170.10873	2.6
171.11685	7.9
172.12440	0.6
173.09663	1.0
173.13266	6.1
175.11177	1.2
175.14807	2.4
177.11186	1.7
179.08586	3.7
180.09348	1.3
181.10104	3.9
181.12251	1.6
182.10899	2.3
183.10201	1.1
183.11678	7.8
184.12498	1.5
185.13249	5.4
187.11243	1.1
187.14838	2.0
189.12794	2.0
191.08525	0.9
191.14336	2.7
192.09323	1.2
193.10127	4.1
194.10895	3.2
195.11702	5.6
196.12477	1.7
197.13269	6.1
199.14839	4.5
201.12706	0.6
203.14325	5.0
205.10077	0.9
206.10909	1.9
207.11716	5.2
207.13814	2.9
208.12547	1.5
209.11470	1.1
209.13264	9.1
209.15125	1.1
210.13977	0.9
211.11165	0.7
211.14844	3.9
213.12790	0.9
213.16391	1.0
213.34042	0.6
215.14352	0.8
217.10037	0.9
217.15865	2.6
219.11749	2.4
220.12405	1.2
221.13263	3.8
221.15300	20.7
222.13950	1.1
223.14772	3.7
224.15553	0.9
225.12840	1.0
225.16393	2.2
231.11716	1.7
232.12566	1.6
233.13216	3.0
233.15398	1.4
234.13943	1.2
235.14862	2.8
236.15468	0.8
237.12808	0.8
237.16411	2.9
239.18031	1.3
241.15811	0.8
244.12560	0.6
245.13309	2.1
246.14102	1.2
247.14845	2.7
247.17101	1.0
248.15535	0.9
249.16435	3.1
251.14339	0.7
251.17955	1.8
253.19475	1.1
257.13254	0.9
257.19067	2.4
258.14105	0.9
259.10873	0.6
259.14822	1.8
261.16373	2.7
262.17239	0.7
263.17859	2.8
264.18796	0.6
265.19583	2.0
269.15521	1.1
269.19064	1.6
271.15375	34.4
272.15756	2.5
273.16373	1.6
274.17227	0.7
275.17786	2.7
276.18823	0.6
277.19501	1.4
279.20926	0.8
281.18921	1.1
283.20560	4.9
287.20377	0.9
289.19452	1.5
290.20441	0.8
291.21127	0.7
295.20532	1.3
297.22113	2.4
300.20746	0.8
307.20728	0.8
329.22592	1.2
331.24207	2.3
335.23676	0.8
345.22266	0.7
349.25314	2.7
357.25882	0.9
359.23343	0.7
361.25104	1.0
375.21680	9.6
375.26871	2.1
376.22171	0.8
403.30045	2.2
489.14307	0.6
491.35071	1.6
503.34903	2.2
547.38953	1.3
565.40375	10.6
566.40521	0.7
583.41418	43.3
584.41760	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01867	1.3
55.05508	9.5
57.07065	6.3
59.04977	2.7
65.03923	2.0
66.95432	1.0
67.05504	14.6
69.03426	5.7
69.07067	12.0
70.36406	2.3
70.36797	3.1
71.04971	1.1
74.47884	0.9
77.03908	1.2
79.05486	16.6
81.07049	22.7
83.04980	5.7
83.08607	7.5
83.86374	1.0
85.06540	4.2
91.05469	28.0
91.06001	2.1
93.07040	37.6
95.04966	9.4
95.08601	23.7
97.06512	4.1
103.05478	3.4
105.07024	50.5
107.08585	32.6
109.06547	6.1
109.10146	17.3
111.08076	1.8
113.09620	1.4
115.05450	3.3
116.06250	1.4
117.07003	8.6
119.08572	53.5
121.06483	4.3
121.10137	34.4
123.08048	10.7
123.11703	4.2
125.09636	1.5
128.06192	7.8
128.71855	1.0
129.06989	10.6
130.07773	6.4
131.08562	22.5
131.09503	1.6
133.06435	2.6
133.10132	29.9
135.08038	6.7
135.11674	11.8
137.09625	7.0
139.11209	2.3
141.06989	5.4
142.07773	13.7
143.08548	26.0
144.08354	1.5
144.09315	6.6
145.06477	1.2
145.10112	36.7
147.08058	6.9
147.11659	11.3
149.09587	7.1
149.13246	2.4
151.07523	12.4
153.07005	2.2
154.07738	1.7
155.08546	11.3
155.10638	1.5
156.09338	12.4
157.10123	36.5
157.50063	1.1
158.10887	4.9
159.08093	2.6
159.11699	16.4
161.09624	5.2
161.13249	4.7
163.11174	5.5
165.06993	5.7
165.09108	9.5
166.07768	2.1
167.08559	7.2
167.10654	21.9
168.09378	5.4
169.10106	18.7
170.10919	6.5
171.11684	21.9
172.12398	1.6
173.09657	2.0
173.13243	15.8
175.11198	2.8
175.14818	6.6
177.09099	1.7
177.12697	1.2
179.08530	8.7
180.09361	4.4
181.10133	14.1
181.12187	4.0
182.10899	6.0
183.11691	18.5
184.12474	4.7
185.09714	1.7
185.13225	11.7
187.11218	2.0
187.14793	6.1
189.12775	4.8
189.16441	1.5
191.14316	4.7
192.09334	2.8
193.10150	11.1
194.10922	7.2
195.11659	14.0
195.13188	1.5
196.12476	5.4
197.13243	13.3
198.13969	1.6
199.11223	2.0
199.14809	9.6
201.16420	2.5
203.08510	1.1
203.14365	5.8
205.10172	4.2
205.15857	2.2
206.10899	5.4
207.11726	13.5
207.13821	4.5
208.12485	5.9
209.13254	13.9
210.13907	2.7
211.11116	1.7
211.14786	8.8
213.12804	1.4
213.16341	3.4
215.14380	2.6
217.10210	2.4
217.15857	8.3
218.10867	1.9
219.11647	5.9
219.17419	1.9
220.12480	4.1
221.13251	11.3
221.15411	20.6
222.14005	4.1
223.11432	1.3
223.14832	13.3
224.15604	1.5
225.12686	1.3
225.16454	3.2
227.14343	1.7
227.17958	1.5
231.11838	5.2
231.17499	2.6
232.12570	2.1
233.13226	6.1
233.15439	7.5
234.14014	2.9
235.14778	8.1
236.15523	2.0
237.12762	1.7
237.16362	5.4
239.14357	2.8
239.18010	3.2
241.16040	1.1
243.11827	1.9
244.12383	1.6
245.13231	5.3
246.14134	2.5
247.14856	4.9
248.15462	1.7
249.16249	5.6
251.17972	5.0
253.15939	2.3
253.19518	2.2
257.13199	2.9
257.19049	4.8
258.14160	1.6
259.14810	5.3
260.15610	3.1
261.16312	5.5
263.18042	6.3
265.19489	5.9
269.18976	5.2
270.14120	1.3
271.14822	2.1
272.15680	2.1
273.16376	3.9
275.17828	6.3
276.18872	1.6
277.19464	2.9
279.17529	1.2
279.21198	1.6
281.19125	2.5
283.20502	9.5
285.16125	1.7
287.17780	2.4
289.19583	2.8
291.20990	1.6
293.19000	1.6
295.20474	2.9
297.22101	1.3
301.19247	1.9
303.20905	1.8
305.22626	1.2
315.20840	1.7
319.20721	1.3
321.21869	1.4
323.23425	1.3
331.24225	3.6
333.22266	1.8
335.23517	2.0
343.24203	1.3
347.23810	2.7
349.25378	4.5
355.20441	1.3
357.25754	2.0
358.48416	1.3
361.25098	1.8
363.26950	1.2
375.26788	2.9
385.28891	1.8
403.29996	3.3
491.35263	3.2
503.35162	2.7
509.34009	1.5
547.39581	4.6
565.40417	19.4
583.41412	100.0
584.41656	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79605	2.1
53.03935	3.9
55.05514	20.2
56.82124	2.3
57.07064	9.0
59.05003	4.1
65.03926	4.1
67.05508	27.3
68.44650	2.3
69.03419	5.1
69.07068	20.5
71.08649	2.9
71.63322	3.4
79.05492	28.5
79.87108	2.3
81.07053	38.8
83.04974	9.1
83.08614	13.2
85.06537	6.6
88.81525	2.2
91.05472	48.8
93.07040	60.0
95.04984	14.5
95.08606	41.4
97.06527	8.4
103.05474	3.7
105.07024	79.5
107.04974	2.5
107.08593	56.0
107.78221	2.5
109.06536	11.8
109.10167	24.2
109.20561	2.0
111.08089	4.4
111.11723	2.5
115.05463	7.2
117.07014	18.8
119.08576	89.6
121.06493	4.9
121.10131	60.8
123.08055	14.7
123.11752	6.1
125.05993	4.0
125.09622	3.1
128.06165	12.7
129.07028	17.4
129.26035	2.2
130.07791	7.0
131.08571	38.0
133.10115	46.8
133.11061	3.3
135.08061	12.6
135.11690	20.7
137.09639	7.5
139.11142	5.0
141.07014	7.1
142.07767	21.5
143.08560	39.1
144.09328	5.8
145.10120	60.1
147.08075	10.9
147.11665	18.8
149.09651	9.8
149.13246	3.4
151.07559	8.9
153.06996	4.7
154.07779	3.5
155.08569	18.8
155.10652	5.1
156.09381	13.5
157.10115	55.6
158.10876	7.1
159.08080	5.3
159.11699	31.4
161.09618	5.1
161.13268	9.8
163.11238	6.5
165.07047	4.8
165.09106	13.1
167.08543	13.4
167.10669	37.2
168.09354	10.5
169.10136	32.8
170.10939	8.7
171.11690	33.8
173.09561	5.4
173.13255	30.7
175.11261	7.0
175.14801	16.9
179.08588	14.1
180.09358	5.8
181.10117	20.0
181.12254	7.6
182.10912	8.2
183.11684	26.1
184.12437	5.5
185.13240	20.9
187.11217	3.1
187.14833	8.3
189.12750	5.4
191.14348	10.9
192.09343	4.7
193.10172	12.5
194.10983	9.0
195.11707	19.4
196.12410	5.5
197.13269	19.1
198.13959	3.3
199.14787	23.3
201.12732	2.7
201.16449	8.2
203.08673	3.2
203.14330	5.0
205.10146	5.9
206.10953	8.1
207.11742	21.2
207.13588	3.6
208.12457	7.3
209.13226	26.7
209.15073	3.5
210.14127	2.8
211.14781	14.0
213.16545	3.5
215.14308	2.6
217.10233	4.7
217.15829	20.5
219.11731	9.5
220.12518	7.5
221.13272	19.0
221.15422	26.9
222.13885	3.9
223.14755	12.4
224.15762	2.9
225.16428	9.3
227.14348	2.9
231.11644	7.2
232.12517	4.2
233.13248	9.8
233.15414	14.5
234.13972	6.2
235.14883	9.6
236.15337	3.1
237.16403	9.3
239.18036	2.5
243.17519	3.9
245.13373	7.7
246.14009	4.9
247.14943	9.3
248.15712	3.8
249.16487	8.1
251.17984	6.4
257.19049	9.8
259.14871	6.6
261.16403	10.3
263.18011	8.3
265.19608	8.9
265.25281	3.1
265.48853	2.4
269.19116	4.7
271.20886	3.4
273.16306	4.3
275.17844	11.1
277.19489	5.4
281.18930	4.1
283.20572	17.0
287.17822	4.3
289.19415	2.7
291.21152	4.0
293.19318	3.1
295.20490	5.2
301.19601	2.8
305.19012	3.0
307.20557	3.0
323.20145	2.6
331.24231	4.2
339.29013	4.0
343.24191	3.7
347.23730	2.6
349.25473	7.7
361.25363	4.6
375.26862	5.7
491.35104	5.4
509.34064	3.2
547.39111	4.8
565.40509	18.2
583.41467	100.0
584.41803	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	583.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69247	0.5
51.02365	0.7
53.03929	1.0
55.05492	0.8
65.03927	0.5
67.05494	0.9
69.07067	0.8
71.65250	0.8
79.05492	5.2
81.07033	1.4
87.04461	0.7
89.06028	10.5
91.05487	3.2
93.07037	5.4
95.04945	3.0
95.08598	2.0
103.05467	4.4
105.07025	100.0
106.90090	0.5
107.07095	0.7
107.08585	2.1
109.06519	0.8
109.10139	2.1
110.89268	0.6
119.08590	4.1
121.06499	14.4
121.10146	2.3
123.08080	0.6
123.11717	0.8
129.06987	0.8
131.08559	1.8
133.08598	3.9
133.10115	2.3
135.11667	1.3
143.08569	1.2
145.10132	2.6
147.08049	1.3
147.11684	1.0
149.09700	0.6
156.09351	0.7
156.26971	0.6
157.10110	1.3
159.11749	1.4
165.07001	0.7
165.09140	5.8
167.08632	0.7
167.10617	0.7
169.10133	1.8
170.50531	0.5
171.11658	1.3
175.14819	1.5
177.11244	1.2
181.10057	1.0
183.10146	1.1
195.11633	0.8
209.11639	1.0
209.13312	4.2
221.15324	1.2
223.11160	0.7
225.12849	0.7
233.15327	0.9
251.14406	1.3
269.15289	1.2
271.15381	36.7
327.27454	0.6
375.21677	11.7
427.29895	0.6
488.51947	0.6
491.35046	0.9
547.65790	0.7
565.39532	1.0
583.41388	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	583.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69247	0.5
51.02365	0.7
53.03929	1.0
55.05492	0.8
65.03927	0.5
67.05494	0.9
69.07067	0.8
71.65250	0.8
79.05492	5.2
81.07033	1.4
87.04461	0.7
89.06028	10.5
91.05487	3.2
93.07037	5.4
95.04945	3.0
95.08598	2.0
103.05467	4.4
105.07025	100.0
106.90090	0.5
107.07095	0.7
107.08585	2.1
109.06519	0.8
109.10139	2.1
110.89268	0.6
119.08590	4.1
121.06499	14.4
121.10146	2.3
123.08080	0.6
123.11717	0.8
129.06987	0.8
131.08559	1.8
133.08598	3.9
133.10115	2.3
135.11667	1.3
143.08569	1.2
145.10132	2.6
147.08049	1.3
147.11684	1.0
149.09700	0.6
156.09351	0.7
156.26971	0.6
157.10110	1.3
159.11749	1.4
165.07001	0.7
165.09140	5.8
167.08632	0.7
167.10617	0.7
169.10133	1.8
170.50531	0.5
171.11658	1.3
175.14819	1.5
177.11244	1.2
181.10057	1.0
183.10146	1.1
195.11633	0.8
209.11639	1.0
209.13312	4.2
221.15324	1.2
223.11160	0.7
225.12849	0.7
233.15327	0.9
251.14406	1.3
269.15289	1.2
271.15381	36.7
327.27454	0.6
375.21677	11.7
427.29895	0.6
488.51947	0.6
491.35046	0.9
547.65790	0.7
565.39532	1.0
583.41388	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	583.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
57.03423	0.3
67.05489	1.2
69.03416	0.4
69.07077	0.9
69.54276	2.5
72.14014	0.3
79.05504	0.9
81.03423	0.8
81.07052	2.0
83.08617	0.3
85.02902	1.5
87.00821	0.4
91.05496	1.1
93.07052	1.1
95.04941	0.4
95.08600	2.7
97.02869	0.6
98.21464	0.6
105.07027	1.8
107.08580	1.5
108.76954	0.3
109.02879	0.5
109.10160	2.3
111.11749	0.4
119.08565	1.9
121.10131	2.1
123.11747	1.1
127.03911	0.6
130.06490	0.4
131.08571	0.4
133.10121	1.4
135.11710	1.1
144.08122	0.4
145.10130	0.7
147.04424	0.4
147.11702	0.8
149.13226	1.0
157.08914	0.4
157.10155	0.4
158.09637	0.6
159.11685	0.6
161.13277	1.2
163.14859	0.5
171.10400	0.6
172.07552	0.4
175.14844	1.0
177.16428	1.3
182.86313	0.3
186.09148	0.5
187.14909	0.7
189.16348	1.5
191.17941	0.7
197.10809	0.4
201.10350	0.5
201.16422	0.5
203.18002	1.1
204.10234	1.3
205.19666	0.4
207.09227	0.4
208.09918	0.5
209.10876	0.5
213.10240	1.4
215.17909	0.4
216.10226	2.9
217.04988	0.3
217.11053	0.4
217.19565	0.9
218.08119	0.4
220.09929	0.5
221.10721	0.5
223.08821	0.3
223.12312	1.0
227.11838	0.8
229.19624	0.5
230.11772	2.9
231.11386	0.4
235.12341	1.0
236.09508	0.6
236.11768	0.6
237.10381	0.4
241.09744	0.4
242.10545	0.9
245.10434	2.0
246.11307	0.9
250.09657	0.5
250.13487	0.9
251.11772	4.0
252.15097	0.8
255.11285	0.6
257.22647	0.4
258.11319	1.3
259.10736	0.4
260.11646	0.4
261.13840	0.4
263.11792	0.9
264.11179	1.7
265.12073	1.4
276.12173	1.0
278.12979	1.0
278.16577	0.3
280.14429	6.7
283.10834	1.1
284.11584	0.4
289.13184	0.5
290.12961	0.8
291.13678	0.3
292.14444	1.1
294.12503	0.4
296.14044	1.4
301.11920	1.2
302.12915	0.4
304.11746	11.4
306.16022	3.2
307.16776	1.3
313.12622	0.5
314.12869	1.1
314.16333	0.4
315.13794	0.8
315.17279	0.4
316.14346	0.5
317.15402	0.4
319.12839	3.5
320.13971	0.6
325.13309	0.4
326.12915	0.7
327.13974	0.6
328.14496	2.1
329.15433	0.9
330.16052	0.9
332.13876	0.5
335.09116	6.5
336.09494	0.4
340.14520	0.9
341.15259	0.7
342.15942	2.1
343.12924	2.8
343.16916	1.3
344.17624	1.0
345.14682	0.5
354.16037	0.5
356.17542	3.8
358.19244	0.8
359.12680	0.5
360.17120	0.5
365.10291	1.6
366.16061	0.6
370.19348	0.4
372.13483	1.0
373.14316	1.3
374.14828	5.4
374.18518	0.6
384.17224	0.7
386.15073	1.2
387.15631	3.5
388.16678	0.6
389.17413	1.0
390.16769	0.5
393.18063	0.4
400.16617	0.4
401.16907	0.4
402.18137	8.2
403.18860	1.4
405.17850	0.5
406.14047	0.5
406.19150	0.6
407.18802	1.0
407.36740	0.7
418.18262	0.6
420.15448	0.6
421.16382	1.0
421.21042	0.5
423.21979	0.6
432.16983	0.6
434.17880	0.4
435.18225	1.2
436.19016	2.4
446.18726	1.0
447.19247	0.4
448.20093	0.5
449.19748	1.0
450.20453	0.4
451.21133	0.7
453.19354	0.4
460.20285	0.4
463.21341	0.5
467.20709	0.5
476.16010	0.4
481.22220	2.4
491.20172	0.4
494.19348	0.5
495.20120	0.6
505.22430	0.5
506.21127	1.2
507.21021	0.3
509.21750	2.0
510.22739	0.7
511.27090	0.4
523.23315	1.3
524.23584	0.3
553.20502	0.7
565.24554	1.4
566.23157	0.8
567.22772	0.4
568.23077	2.9
583.25500	100.0
584.25928	3.0
596.89581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
51.72786	0.2
53.03944	0.6
55.05523	0.4
56.44414	0.2
57.10755	0.2
61.52582	0.2
62.83053	0.2
65.03918	0.5
67.05510	0.8
69.03426	0.9
69.07063	0.6
70.07835	0.4
70.08245	0.9
78.04704	1.4
79.05475	2.1
81.03418	0.5
81.07054	1.1
83.04975	0.7
85.02901	0.9
91.05466	3.3
92.06261	0.3
93.07039	2.7
93.30743	0.3
95.04964	1.3
95.08602	1.0
97.02888	0.9
97.06503	0.2
99.04485	0.3
103.05443	1.6
104.28106	0.3
105.03384	0.4
105.07030	3.1
106.04178	0.9
107.04930	1.7
107.08590	0.9
108.05733	0.3
109.02890	1.1
109.06533	0.6
109.10146	1.0
111.04415	0.3
115.05445	0.7
117.07019	0.7
119.04959	0.7
119.08566	0.9
120.05710	0.5
121.02876	1.9
121.06486	5.2
121.10139	0.9
122.03660	0.5
123.04414	3.6
123.08084	0.4
124.05178	1.4
125.05977	0.3
127.03887	1.5
127.46294	0.2
131.04922	2.8
131.08566	0.4
132.05612	0.3
133.06474	1.9
133.10117	1.9
135.04398	0.4
135.08047	1.1
135.11665	0.3
136.05206	0.6
137.02345	0.2
137.05962	3.9
137.09593	0.9
138.06766	1.2
139.07590	0.3
145.06465	0.8
145.10126	0.5
147.04413	0.8
147.08049	0.3
147.11659	0.4
148.05000	0.3
149.05971	1.2
149.09599	0.3
149.36690	0.2
151.03836	1.6
151.07515	2.4
152.04675	1.1
153.09087	0.3
155.52356	0.3
157.84575	0.3
161.05966	2.5
162.06728	0.5
163.03947	0.3
163.07526	3.1
165.05417	0.5
166.06201	1.4
167.07022	100.0
168.07407	0.8
175.07518	0.6
177.05463	0.5
177.09109	0.3
178.06258	0.4
179.06999	0.5
181.08574	43.4
187.07506	0.5
189.12633	0.3
191.07028	2.9
191.14326	1.7
193.08585	7.5
195.06496	0.4
195.10135	0.9
201.09151	0.4
205.08601	1.4
207.06493	0.3
207.10144	0.4
209.07932	0.4
211.09633	5.4
221.07951	0.5
223.07634	0.5
223.09637	5.2
249.11154	0.3
313.06958	0.4
325.06882	0.7
343.08160	0.5
355.15253	1.1
367.08133	0.3
409.09769	0.2
583.24475	0.8
583.37488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2168
Annotation	Auriculatin 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03827	0.6
53.04055	1.1
55.01748	0.5
55.01972	0.8
57.03270	1.3
57.03571	1.7
61.02759	1.0
61.03080	1.2
65.03792	0.5
67.05309	1.6
67.05712	1.3
69.03230	6.0
69.03658	4.6
69.95456	2.5
71.04853	0.6
73.02705	1.6
73.03150	0.8
76.44261	0.5
81.03197	2.6
81.03712	1.1
81.06916	0.5
85.02682	14.9
85.03259	6.2
87.00668	0.7
87.04282	1.3
87.04823	1.0
91.05325	0.9
93.62366	0.5
95.04720	2.4
95.05387	1.1
97.02660	4.8
97.03332	1.4
99.04228	1.7
99.04920	0.8
100.21353	0.5
101.02211	0.6
103.00390	0.4
103.03771	0.6
107.04688	1.9
109.02616	3.0
115.03750	0.6
117.06818	0.5
119.04771	1.0
121.02600	4.9
121.03572	1.1
123.04161	48.7
123.05165	8.1
123.05656	1.7
124.04580	0.8
127.03658	4.7
127.04668	0.7
129.06747	0.7
131.04724	0.8
133.02621	0.6
135.04123	1.8
142.07521	0.6
145.04721	1.4
145.06184	0.5
147.04140	5.3
158.07092	1.0
159.04216	1.0
163.03700	1.3
169.06258	1.0
171.07877	0.8
173.05782	0.9
173.09332	4.6
187.05826	0.7
187.07349	0.9
189.05313	1.0
193.09857	0.8
201.09087	16.7
205.04846	0.5
211.07376	0.8
213.05473	3.2
213.08957	0.5
215.06677	0.5
220.08495	0.5
223.10912	0.7
225.05370	0.5
225.08850	1.9
226.09694	1.0
229.11971	0.5
232.08716	0.9
241.08333	0.6
241.12154	0.7
245.09390	1.1
247.11003	0.6
248.08081	0.7
249.09035	0.6
259.10968	0.7
267.10010	1.5
276.07822	0.5
277.08408	0.5
281.09222	0.5
287.10480	1.3
289.08636	0.6
290.09357	0.8
291.06473	0.6
295.06049	2.9
299.10519	0.5
303.10062	2.9
305.07867	1.6
307.05878	1.9
307.09332	0.8
309.07755	0.6
315.09869	1.3
315.13336	0.6
317.07956	1.1
318.08713	1.7
319.09531	2.4
321.07578	3.1
327.10028	1.4
331.09656	12.5
332.10248	1.0
333.07449	1.3
333.11096	3.2
334.08255	1.2
335.09195	0.9
335.12741	8.3
337.10541	0.9
339.13635	0.6
341.08304	0.9
341.11694	1.1
343.09595	5.1
345.07269	1.5
345.11209	1.5
346.08173	0.7
347.09024	2.0
348.09814	1.6
349.10703	19.7
355.09708	4.3
356.10025	0.9
357.10965	0.8
357.14801	1.0
359.08945	1.2
359.12839	1.1
361.10629	4.3
367.13046	2.8
369.11182	2.1
370.11963	1.5
373.10556	3.0
374.11014	0.6
375.11829	1.1
375.15884	1.2
377.13666	0.7
385.14322	11.7
385.32788	0.5
387.12283	2.1
388.13043	1.6
391.11789	1.3
403.15396	96.2
404.15753	4.4
421.16443	100.0
422.16733	2.6
427.15448	1.3
445.16409	5.5
463.17606	2.2
487.17975	0.6
511.16348	0.8
539.19012	0.8
565.20697	10.6
583.21936	40.0
584.22034	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	583.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07226	0.3
55.01816	0.5
55.05471	0.5
55.31570	0.3
67.05450	0.7
69.03368	1.2
69.95692	2.2
70.63628	0.3
78.58362	0.4
79.05450	0.4
81.03366	0.6
81.06989	0.6
85.02828	1.4
91.05424	0.7
93.06952	0.7
95.08554	0.7
97.02862	0.5
103.05427	0.6
105.03346	0.3
105.04350	0.4
105.06979	0.6
107.08530	0.8
109.10098	0.4
117.06976	0.7
118.30405	0.4
119.08524	0.4
121.10060	0.7
123.04362	0.8
127.03812	0.5
129.06920	1.0
131.04866	0.6
131.08504	1.3
135.11711	0.4
137.02237	1.4
145.06461	0.5
147.04294	0.5
151.03835	1.5
151.07439	0.3
157.06418	1.0
159.04399	6.6
159.08009	0.9
159.50006	0.4
171.04384	0.6
185.05917	0.6
187.07520	4.4
189.05423	2.1
203.06958	1.4
213.05449	24.5
215.06937	0.5
217.10109	0.4
218.93266	0.4
231.06444	1.3
245.09581	0.9
273.09177	0.6
276.07596	0.4
291.10010	0.7
301.08542	0.5
308.06885	0.4
311.05505	5.3
319.09659	2.3
321.07480	0.9
322.08246	0.7
323.05515	1.2
323.09030	0.8
325.07123	0.5
335.09140	0.5
337.06915	1.0
337.10605	0.7
346.08295	0.5
347.09131	22.4
348.09317	0.5
349.06964	1.8
350.07742	2.7
361.10797	0.6
364.09424	0.7
365.10168	100.0
366.10495	2.8
379.11752	1.1
389.10571	0.4
421.16357	4.9
451.38678	0.4
527.15460	76.8
528.15814	3.2
555.59869	0.3
583.21716	23.9
584.21527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.217
Annotation	Auriculatin 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03905	0.7
55.01830	0.8
56.96538	0.2
57.03393	1.6
61.02927	1.5
67.05472	0.5
69.03423	6.3
69.65911	1.4
70.97711	0.2
71.01307	0.3
71.04953	0.6
73.02912	1.2
79.05422	0.4
81.03403	2.3
81.07010	0.3
85.02898	10.6
87.04462	1.7
89.03858	0.5
91.03912	0.6
91.05462	0.3
95.04930	0.3
97.02886	3.9
98.20660	0.2
99.04426	0.6
101.02283	0.3
102.40009	0.2
103.03872	0.2
107.04916	0.5
109.02866	1.4
115.03934	0.3
115.05429	0.3
117.03329	0.3
117.06950	0.8
123.04370	0.8
127.03907	2.0
129.06960	0.7
132.79604	0.2
133.02806	0.2
135.04370	0.5
137.02322	1.0
141.06973	0.2
145.04886	0.9
147.04358	0.3
147.11594	0.2
151.03947	0.2
153.06862	0.4
157.06433	0.7
159.04381	0.4
159.07927	0.2
161.02303	0.2
169.06471	0.5
171.04350	0.7
179.03444	0.3
181.06480	0.3
185.05940	1.2
189.01842	0.3
189.05441	2.3
192.09338	0.5
193.10164	0.2
195.02910	0.6
202.07825	1.4
203.06912	0.5
207.02678	0.3
207.11766	0.4
209.05888	0.2
209.09712	0.2
210.68822	0.2
212.14308	0.2
213.05455	2.7
217.10112	2.3
219.08150	0.4
221.09595	0.3
227.08598	0.3
229.96469	0.2
230.07307	0.4
231.06335	1.4
235.11111	0.7
237.08949	0.5
245.09578	5.2
247.07536	0.6
248.08263	0.9
249.09167	0.3
255.06343	0.2
257.04407	0.3
258.06659	0.3
261.08984	0.2
263.10614	1.2
265.08505	0.4
267.06604	0.3
269.04425	0.3
273.09125	2.4
274.09998	0.2
275.07034	1.4
276.07794	0.9
277.08551	0.5
279.06503	0.2
285.03854	0.5
289.08612	0.2
290.09235	0.3
291.10077	2.9
293.08014	0.5
295.06000	0.6
295.09341	0.2
297.12268	0.2
299.05536	0.3
301.08505	1.5
305.08218	0.3
307.06104	0.3
308.06842	0.6
309.07672	0.3
309.11185	0.6
310.04794	0.2
311.05469	12.2
318.08722	0.5
319.09619	12.2
320.09720	0.4
321.07562	0.6
322.08282	0.6
323.05435	3.1
323.09140	2.3
325.07126	0.5
329.08008	1.7
333.07639	0.5
335.09216	0.4
336.06168	0.3
337.06937	1.0
337.10739	1.0
346.08307	0.8
347.09113	53.1
348.09464	1.3
349.07034	1.2
350.07809	2.6
353.10431	0.3
363.08493	0.3
364.09399	0.8
365.10162	100.0
366.10471	2.1
371.09360	0.3
379.11737	0.4
389.10092	0.9
406.13483	0.3
407.11090	2.3
421.16418	96.8
422.16702	2.0
433.16293	1.0
451.17517	0.9
463.17413	0.8
501.64941	0.3
509.14636	0.3
527.15424	7.2
527.27545	0.3
565.21204	0.6
583.21686	35.5
584.21997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.6
55.01830	1.1
55.05469	0.9
57.03394	1.1
57.07022	0.3
61.02880	1.1
67.05497	1.8
69.03423	3.9
69.07023	1.1
71.01338	2.2
71.04963	0.7
71.63631	0.4
71.64030	0.5
73.02876	0.9
75.04432	1.1
79.05435	1.3
81.03400	1.9
81.07040	2.4
83.08578	0.5
85.02891	8.5
87.04419	1.0
87.22323	0.3
89.84780	0.3
91.03867	0.3
91.05447	1.9
93.07035	2.0
95.04929	0.6
95.08599	4.2
97.02895	3.0
97.06490	0.7
97.10097	0.4
99.04397	0.9
101.02372	4.1
105.07022	2.3
107.04957	0.6
107.08563	2.5
109.02852	1.7
109.06474	0.6
109.09569	0.2
109.10141	2.5
117.06956	0.7
119.07918	0.3
119.08562	3.2
120.64439	0.3
121.02829	0.4
121.10123	2.3
123.04418	2.5
123.08010	0.6
123.11617	0.7
127.03899	12.6
128.06120	0.4
129.06950	0.3
131.04906	0.4
131.08563	1.6
133.06453	0.4
133.10114	2.5
135.04384	0.5
135.11655	1.8
137.02307	1.6
137.05957	0.6
137.09520	0.3
137.13159	0.4
141.06926	0.4
143.08484	1.0
145.04945	3.3
145.10159	2.1
147.04356	0.8
147.11641	1.8
149.05942	0.4
149.09586	0.5
149.13225	0.5
151.03908	1.7
155.08495	0.5
157.06529	0.4
157.10072	1.1
158.10844	0.4
159.11717	1.5
161.13174	1.3
163.03835	0.3
163.14737	1.0
167.07057	1.9
167.08348	0.4
169.10130	0.3
171.08006	0.8
171.11647	0.8
173.13210	1.1
175.14787	0.9
177.16393	0.5
179.03343	0.4
183.08075	0.6
183.11797	0.3
187.07481	0.4
187.14752	1.2
189.16351	1.2
191.14232	1.1
191.17911	1.6
195.07990	0.6
199.14862	0.7
201.09068	1.1
201.16295	0.9
203.14214	0.8
203.17863	2.0
207.17403	0.9
213.05351	1.0
213.08929	0.4
213.16328	0.8
215.03391	0.3
215.17944	0.7
217.15811	0.3
224.08307	0.5
225.05405	0.3
225.09041	0.8
227.06992	3.0
231.17383	1.8
233.04393	0.4
241.08644	0.4
245.08012	0.8
251.06969	2.1
269.05258	0.3
269.07980	1.7
271.05945	0.5
283.05890	0.4
287.09152	1.1
290.09338	0.5
295.05893	0.5
299.05270	0.4
305.11639	0.5
308.06787	0.4
309.07520	1.4
311.05359	0.4
318.08762	0.4
321.07471	0.9
322.08160	0.5
323.05322	0.4
323.09000	0.6
325.07040	4.9
331.09711	0.4
332.10678	0.5
333.11118	0.9
335.09219	0.8
336.06210	0.4
336.09723	0.5
337.07193	2.3
339.08755	0.4
343.09509	0.5
345.07526	0.9
346.08347	0.9
347.09070	1.4
349.07040	3.9
349.10895	0.6
350.07797	1.1
351.08408	1.1
351.12247	1.0
357.11420	0.7
359.09259	1.0
361.06726	0.6
361.10709	5.3
362.07675	0.4
363.08548	2.6
364.09406	2.0
365.10013	1.7
370.08307	0.8
371.09158	0.6
373.06940	2.1
375.12433	0.7
378.10965	0.4
379.11725	59.9
380.11987	0.6
384.09720	0.4
385.10648	11.9
387.08594	3.7
388.09326	4.3
389.09802	0.5
393.13196	2.7
402.10825	3.6
403.11682	67.3
404.11966	0.7
409.34470	0.7
419.14935	1.1
420.15317	0.7
421.12604	2.6
421.16614	2.0
421.34592	2.3
439.35321	1.7
527.15363	1.3
535.18988	0.5
541.17029	14.0
565.16962	100.0
566.17139	2.0
583.19348	7.1
583.30933	1.4
583.38831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22680	0.3
53.03913	1.0
55.01868	1.7
57.03439	2.6
57.07831	0.3
61.02922	2.5
65.03921	0.7
67.05496	3.1
68.99767	0.5
69.03419	11.0
70.80164	0.8
71.01326	0.5
71.04967	1.4
73.02908	1.7
79.05478	0.4
81.03414	5.0
81.07027	0.5
83.01299	0.3
85.02895	17.2
87.00838	1.6
87.04432	1.1
91.03898	0.6
91.05453	1.0
93.07027	0.5
95.04955	5.3
95.08603	0.6
96.36181	0.3
97.02884	5.3
97.91671	0.3
99.04440	2.1
101.02328	0.5
103.03909	0.8
103.05501	0.4
104.82489	0.3
105.01848	0.7
105.07059	0.4
107.04278	0.3
107.04942	1.9
109.02872	4.1
109.06467	0.4
109.10104	0.5
114.23615	0.3
115.03908	0.5
115.05387	0.4
117.07020	0.7
119.04922	0.5
121.02844	3.0
123.04414	100.0
124.04721	0.6
127.03897	6.9
129.06956	0.5
130.24124	0.3
131.08603	0.5
133.02827	0.5
133.10031	0.3
135.04382	2.1
137.05902	0.3
143.08618	0.5
145.03014	0.3
145.04916	1.5
145.10161	0.4
147.04395	10.5
147.11694	0.5
152.59874	0.3
158.07225	1.0
159.02866	0.9
159.04318	0.7
159.08008	0.6
161.02370	0.4
163.03876	1.8
165.05623	0.6
165.06990	0.5
171.08055	0.4
173.09608	9.2
181.06471	0.5
182.07208	0.4
185.05952	0.8
185.09605	0.6
187.06042	1.0
187.07574	0.6
189.05469	1.2
189.08984	0.4
192.09216	0.3
193.10132	0.4
197.05980	0.5
197.09607	0.5
198.06714	0.5
201.09088	34.1
202.09518	0.5
209.09731	0.6
211.07547	0.8
213.05559	2.3
213.09100	1.7
215.08675	0.4
221.09663	0.4
223.11125	0.5
225.05595	0.5
225.09100	2.1
226.09865	1.4
227.07047	0.4
231.04761	0.5
231.08305	0.4
232.08849	0.4
239.07130	0.5
239.10765	0.4
241.12312	0.4
243.96896	0.3
245.09618	0.8
249.09192	0.4
253.08530	0.4
259.11316	0.4
260.41455	0.3
261.09323	0.3
267.10229	1.0
275.10657	0.9
277.08643	0.4
278.77719	0.3
283.06131	0.4
287.10690	0.8
289.08655	0.5
290.09225	0.4
293.07999	0.4
295.05951	2.7
303.10056	1.8
304.11072	0.4
305.08093	1.4
305.11411	0.4
306.09012	0.6
307.06122	1.5
307.09564	0.7
314.12845	0.4
315.10172	1.2
317.08240	1.0
318.08920	1.6
319.09750	1.3
320.10452	0.8
321.07632	2.3
321.10938	0.4
327.10278	0.8
329.11642	0.6
331.09613	8.1
331.13303	0.6
333.07599	0.7
333.10922	2.3
334.08435	1.1
335.09106	0.8
335.12729	17.8
337.10715	0.4
339.14078	0.3
341.08298	0.5
341.11969	0.9
343.09628	3.8
343.13098	0.5
345.07587	0.7
345.11371	1.8
347.09052	1.5
348.09985	0.8
349.10651	15.2
350.96570	0.3
355.09592	2.8
356.09946	0.5
357.11084	0.7
357.15042	1.2
359.09073	0.6
359.12921	1.2
361.10614	3.2
361.14365	0.4
367.13217	1.7
369.11157	1.7
370.12021	1.3
373.10800	2.2
375.12265	0.9
375.16238	0.8
377.14056	0.5
385.14352	9.0
387.12268	1.5
388.13190	1.4
391.11746	0.8
403.15372	67.8
404.15988	0.7
421.16415	67.8
427.15677	0.7
445.16473	4.2
445.22205	0.5
463.17535	1.8
469.16733	0.7
480.29950	0.3
487.17667	0.4
511.16290	0.4
539.18915	1.8
565.20599	9.6
583.21954	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	583.1656
Annotation	B 90063
Peak:m/z	Relative Intensity
52.65707	2.1
53.03931	2.9
55.01860	8.3
55.05487	3.6
55.07758	2.6
56.56852	2.4
57.03434	3.4
61.02922	2.8
69.03416	8.7
70.06582	9.0
71.04989	5.2
71.61868	3.4
72.08142	17.8
73.02897	1.8
76.36428	1.7
79.05466	3.0
81.03410	5.7
83.04966	2.0
84.04521	1.8
84.08113	4.8
85.02900	13.0
86.06030	2.4
86.09694	2.5
87.04416	2.9
91.05460	6.7
93.03395	2.8
97.02911	12.2
97.06535	4.2
98.06065	2.9
98.09660	2.3
101.06045	2.1
105.07035	2.4
107.04928	6.4
107.08530	2.4
109.02857	6.6
110.02379	4.1
114.10335	2.4
119.04929	21.0
119.55852	1.8
121.02853	48.6
123.04383	3.0
124.07613	2.1
124.97850	1.8
127.03920	14.0
131.04922	2.4
133.06487	2.6
133.67903	2.0
135.04436	3.3
137.02306	4.7
137.05977	2.7
138.05479	2.1
142.82143	2.0
145.02826	8.8
145.04932	2.2
147.04410	29.8
149.05984	3.6
152.07079	4.4
153.01797	2.2
163.03888	11.6
173.05984	3.4
175.03944	4.3
177.05498	9.6
179.03363	4.4
189.01813	5.7
189.05565	2.2
191.03323	6.3
193.04738	1.9
194.02299	2.1
195.02913	16.9
203.03365	12.9
205.05023	2.1
207.02872	11.3
215.03343	6.5
217.04987	8.1
218.11671	3.4
219.02899	7.4
221.04465	9.1
227.03232	3.4
229.04872	6.8
231.02798	4.9
233.04489	7.9
235.14397	3.7
239.06984	2.7
241.04935	3.0
243.02884	3.8
245.04413	3.3
257.04636	2.7
261.03955	5.1
267.06595	4.0
268.07419	4.4
269.04401	3.7
271.05954	4.4
273.03882	2.4
279.06302	6.1
279.16943	4.8
280.07443	2.6
281.08102	5.3
283.06009	20.1
284.06607	2.3
292.07132	3.9
293.08139	4.6
294.05197	20.9
295.05984	100.0
295.09262	5.4
296.06705	6.2
297.04245	2.0
297.07376	9.6
303.13202	2.7
305.07928	6.0
307.06012	70.6
307.09436	3.3
308.06787	23.1
309.07498	24.3
311.05505	3.9
312.05823	2.6
313.07059	13.8
317.08112	3.5
319.05945	7.3
320.06775	9.6
321.07547	50.5
322.08286	11.3
323.05499	5.4
323.09109	9.7
325.07043	81.6
329.07935	2.5
330.30255	2.2
333.07620	24.7
334.08417	2.7
335.05640	3.4
335.09158	18.3
336.06262	8.5
337.07022	66.6
337.11057	3.8
339.08304	5.2
342.06818	2.5
345.07495	10.7
347.09192	15.7
349.07019	57.2
349.10114	2.3
351.08569	31.3
355.08072	12.2
359.09082	4.9
361.06982	24.0
363.08759	18.9
365.06180	3.5
365.10172	8.6
367.08069	13.9
373.07220	11.5
373.11298	2.5
375.08740	11.7
377.10583	3.2
379.08090	98.6
385.07156	3.9
387.08453	7.9
389.05795	2.6
389.10172	4.6
391.08063	45.2
393.09515	2.4
397.09082	46.3
401.10574	3.1
403.08020	19.9
405.09512	8.2
409.03616	3.8
409.09131	68.9
415.10303	19.5
417.09790	3.5
421.09045	18.8
427.10284	67.0
429.09833	2.4
433.09116	21.5
439.10199	15.1
445.10745	27.1
451.10257	35.3
457.11282	40.4
461.15884	2.4
463.10846	9.8
469.11267	42.7
475.10397	15.5
481.11246	38.8
487.11588	3.7
493.11249	38.6
499.12186	26.4
511.12360	66.9
529.13251	53.0
547.14276	26.8
565.15210	8.1
583.16425	2.6
583.26672	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	583.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72331	0.3
53.03941	1.3
55.01849	0.6
55.05505	0.7
57.03420	1.3
61.02913	1.1
66.54010	0.2
67.05502	0.9
68.99776	0.3
69.03424	5.6
69.07068	0.9
69.78993	1.8
70.06594	0.6
71.01343	0.3
71.04981	0.9
73.02919	1.2
79.05486	1.6
81.03411	4.3
81.03857	0.5
81.07050	1.8
83.04976	0.8
84.08130	0.5
85.02895	6.9
87.00829	0.6
91.05489	2.0
92.99767	3.1
93.07032	1.3
95.04976	0.7
95.08601	1.2
97.02882	2.9
97.10116	0.3
99.04452	1.5
103.03929	1.2
103.05460	0.5
105.07020	1.9
107.04944	1.6
107.08590	2.2
109.02871	3.2
109.06503	0.4
109.10178	1.5
111.04415	0.5
115.03930	0.4
115.05441	0.5
117.06999	0.4
119.04955	1.1
119.08566	0.8
121.02834	1.6
121.06495	0.7
121.10140	1.1
123.04404	0.6
123.11720	0.5
125.06002	0.5
127.03909	5.8
128.06212	0.5
129.06995	1.3
131.04918	0.6
131.08575	0.5
133.02824	0.4
133.06461	0.6
133.10123	5.8
134.03494	0.3
135.04396	3.2
135.08060	0.7
137.05986	1.0
137.09610	3.3
138.05536	0.4
143.08563	0.5
143.56363	0.3
144.48508	0.3
145.02798	0.6
145.04979	0.6
145.06494	0.7
147.04416	1.2
147.11681	0.4
149.06010	0.6
149.09590	0.5
149.13225	0.6
151.03888	0.4
151.07495	0.6
153.01790	0.5
153.07030	0.4
155.04903	2.6
157.06522	1.8
159.04443	0.3
159.08009	0.4
159.11610	0.3
161.02345	0.7
161.05974	0.9
163.03873	2.1
163.11124	0.4
163.14787	0.3
167.07062	2.9
167.08467	0.6
168.07443	0.3
169.10191	0.4
171.04437	1.1
173.06006	0.8
173.13257	0.7
175.03934	0.9
175.07471	0.5
177.05421	0.4
181.06511	0.8
181.08672	0.7
184.07376	0.5
185.05943	3.3
187.05894	0.4
189.05464	1.1
190.07693	0.4
191.14304	3.3
193.08478	0.4
194.01939	0.3
194.07423	0.4
195.08073	1.0
199.03781	0.4
199.07536	0.3
202.07730	0.5
203.03284	0.3
203.06830	0.4
205.10255	0.6
207.06487	1.2
208.08778	0.7
209.09688	0.4
210.06819	0.3
213.05495	1.3
215.03375	1.1
215.08557	0.7
217.04953	1.4
218.07280	1.4
219.07986	0.4
220.03577	0.5
223.07576	0.7
223.11195	0.5
233.04391	0.8
233.09697	1.2
235.07651	0.5
236.08324	1.0
245.09653	0.5
247.07625	0.4
251.07022	0.4
251.10643	3.3
261.09097	1.0
263.06961	0.9
264.07800	0.5
266.05762	0.5
267.06534	1.3
269.08127	0.3
270.05142	1.4
273.03918	6.0
279.06787	0.5
279.10132	2.2
283.06186	0.5
285.07684	0.4
289.08606	1.6
291.06470	1.2
291.09857	0.5
292.07297	4.0
292.15161	0.3
293.04715	0.5
293.08032	1.7
294.05209	7.1
295.05930	2.4
303.10358	0.3
305.08051	1.2
306.08923	0.6
307.06052	2.3
307.09573	25.3
308.09933	0.4
309.07526	5.5
311.05591	0.4
311.09045	0.3
315.04849	0.4
316.06818	0.4
317.07980	2.3
319.06036	0.6
319.09708	0.9
320.06787	13.3
321.07690	1.3
325.06821	0.3
331.09647	0.8
333.07492	6.4
333.11255	0.3
334.08325	1.0
335.09100	100.0
336.09491	0.8
337.06915	0.4
337.10599	0.4
345.07574	0.4
347.09152	3.0
349.07071	0.7
349.10739	1.4
350.07877	0.9
351.08847	0.6
351.12286	0.7
359.09186	0.5
361.10852	0.6
363.08447	0.4
365.10162	5.2
375.12292	2.9
377.10175	2.8
379.11743	2.0
393.13162	0.9
403.11453	5.0
421.12000	1.0
421.17233	3.6
446.32227	0.3
497.14355	6.8
527.15436	1.6
539.15448	44.1
540.15997	0.4
541.17194	1.6
565.17340	13.6
582.42297	0.6
583.14172	51.8
584.14514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01870	4.7
55.05491	2.0
57.03424	0.9
58.06595	3.5
67.05494	1.2
68.05022	1.2
69.03416	3.8
69.07061	0.9
70.06586	6.9
70.43214	2.3
71.04979	2.0
72.08138	3.8
72.17133	0.4
73.02903	0.6
79.05483	6.0
81.03416	2.7
81.05788	0.8
81.07050	6.6
82.06564	1.4
83.04967	0.5
84.08130	3.1
85.02905	5.1
86.03220	0.6
86.06122	0.6
87.04440	1.8
91.05480	3.4
93.07044	1.4
94.06561	2.9
95.04948	1.0
95.08587	0.7
96.08118	7.4
97.02907	2.6
97.06522	27.3
98.05998	0.6
98.09686	15.5
99.04421	0.9
100.07602	0.6
101.05994	0.8
105.06976	1.3
107.04897	1.0
107.07336	0.8
108.08102	5.3
109.02850	2.5
109.06480	1.1
110.09646	1.4
111.04392	0.9
115.03913	1.7
119.04935	5.0
120.08122	0.7
121.02849	2.8
122.09638	1.2
123.04394	0.9
124.07606	0.7
124.11217	30.1
125.05979	12.1
125.50982	0.6
127.03912	5.1
133.04948	0.7
133.06435	1.2
135.04378	1.2
135.08041	0.7
135.70586	0.5
137.02333	16.5
137.05891	1.2
138.05446	1.1
140.07031	0.5
142.12292	0.7
145.02734	0.7
145.04948	0.7
147.04393	6.7
149.05974	0.7
150.12753	1.5
151.03923	0.5
152.07008	0.9
152.10715	0.7
154.08601	11.0
161.05989	1.7
163.03868	2.3
163.07465	0.8
164.04230	0.7
164.10712	0.9
167.06990	0.6
168.13756	0.8
175.03905	7.0
177.05470	0.6
179.03421	1.5
189.01842	0.6
189.05463	0.7
191.03450	1.0
192.10229	0.8
193.08638	1.5
194.11757	1.8
195.02887	1.3
199.06053	0.8
207.03059	0.5
207.06523	12.0
212.12895	1.0
214.14346	1.5
215.06966	0.6
218.11732	0.6
224.12848	6.2
231.02811	0.6
239.06927	0.7
248.16493	0.8
251.09076	0.6
257.08218	0.7
266.17554	0.7
268.97394	0.7
273.07339	0.7
276.06631	0.8
277.15469	0.6
277.24240	0.6
287.05527	0.7
287.08472	0.5
288.05975	0.7
295.05972	0.6
296.06412	0.7
299.05646	0.6
307.06070	0.6
310.07806	0.5
311.05301	2.2
312.05878	2.0
313.06705	0.5
323.05582	0.9
324.05762	1.7
325.06723	1.0
326.07324	0.6
330.12967	0.7
337.06995	1.3
338.07312	1.3
339.08417	1.1
342.06818	1.5
349.06918	1.1
350.07361	1.0
351.10977	1.3
352.09009	1.0
352.17529	0.7
353.06360	0.8
354.06778	2.2
356.17007	1.8
361.07458	0.6
363.07394	0.7
365.06128	0.6
366.07007	2.5
368.08560	1.3
368.17056	3.0
369.11887	2.4
378.07172	0.9
379.08237	0.8
395.07312	0.9
396.07825	3.2
408.07855	1.5
410.21689	1.6
414.08969	1.1
426.08926	3.3
428.22714	2.8
432.08267	0.8
444.10065	3.8
450.09152	1.0
462.10516	0.9
481.11234	0.8
486.11127	1.4
492.10956	0.5
492.18457	1.4
498.10928	1.9
504.18686	7.2
510.10773	1.7
510.19452	1.3
516.12042	1.6
522.19623	4.1
528.12103	3.2
529.12964	0.7
540.20892	3.4
546.13098	2.0
546.22833	1.0
564.24194	18.4
582.25317	100.0
583.25690	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02948	2.0
50.69113	1.6
52.20660	1.7
53.03930	2.1
55.05497	8.8
57.03422	2.8
57.07059	5.0
61.28669	1.8
67.05200	2.0
67.05504	19.4
69.03417	8.8
69.07061	15.1
71.04970	3.5
71.64829	2.9
78.78291	1.9
79.05477	12.7
81.07054	24.2
83.04951	5.0
83.08607	7.2
85.02891	5.9
85.06536	2.6
86.88680	1.8
89.68281	2.0
91.05460	21.1
93.07035	32.6
95.04974	14.1
95.08601	21.2
97.06496	3.5
97.10118	2.7
98.98457	3.2
103.05497	2.3
105.07027	45.1
107.04902	1.9
107.08582	31.7
109.06519	6.2
109.10148	18.1
111.11694	1.9
115.05433	3.8
116.63528	1.9
117.07039	9.4
119.08568	37.6
121.06512	6.4
121.10135	48.9
123.08064	11.0
123.11696	8.2
124.95583	1.7
125.06057	1.9
125.09608	4.8
128.06184	3.4
129.05377	2.6
129.06987	8.2
130.07809	3.7
131.08553	24.4
133.06413	1.9
133.10118	68.1
135.08032	8.7
135.11670	12.0
137.09590	6.0
137.13313	2.3
141.07027	3.4
142.07747	12.0
143.08551	17.6
144.09389	2.6
145.06483	2.0
145.10123	38.1
147.04393	2.9
147.08041	12.7
147.11647	10.0
149.09590	14.1
151.07553	8.2
153.01828	4.0
155.08566	8.2
156.09335	9.7
156.10408	1.7
157.10118	31.0
158.10869	5.2
159.08076	4.6
159.11674	14.3
161.09598	9.2
161.13286	6.0
163.11206	4.7
165.09096	18.9
167.08514	3.3
167.10664	48.1
168.09363	3.1
169.10135	11.7
170.10869	5.6
171.11674	20.7
173.09618	3.2
173.13257	23.7
175.11223	4.6
175.14786	6.4
178.07805	2.3
179.08498	5.4
180.09363	3.3
181.10143	8.5
181.12219	3.7
182.10950	4.2
183.11699	15.3
184.12431	3.0
185.13275	14.6
187.11179	6.4
187.14842	13.6
189.12749	8.3
191.14313	3.0
193.10135	5.5
194.10910	3.9
195.02869	3.0
195.08237	2.3
195.11690	7.5
196.12544	4.7
197.09555	2.5
197.13177	10.0
199.11127	3.7
199.14780	9.5
201.12762	4.6
201.16483	2.7
203.14326	8.6
205.10141	2.7
205.15833	2.1
206.10916	3.6
207.11722	9.1
207.13802	5.5
208.12476	3.9
209.09885	2.1
209.13370	11.0
209.15210	3.0
210.14122	2.1
211.11227	4.6
211.14783	9.5
213.12752	4.0
213.16431	2.8
215.14307	5.6
217.15921	2.2
219.11710	4.0
220.12480	3.1
221.13255	9.2
221.15392	39.1
223.14845	5.5
225.12849	3.8
225.16380	3.5
231.11691	2.6
233.13210	3.5
233.15295	19.6
234.13991	2.6
235.14771	4.7
237.16393	3.9
239.14322	3.2
239.17929	4.4
241.19702	3.6
243.11711	2.7
245.13300	2.7
246.14195	3.5
247.14833	3.7
249.12756	2.4
249.16507	3.3
251.17883	4.4
258.13934	2.4
259.14835	3.7
261.16415	3.0
263.14374	2.3
263.17950	2.8
265.16098	2.9
265.19571	2.8
267.17560	2.4
273.07581	3.2
273.16150	2.5
277.15872	2.1
311.20129	3.5
315.21017	2.4
339.28912	3.2
347.23471	2.4
359.23636	5.3
373.25360	4.0
393.24265	6.8
399.27097	3.0
407.29361	5.2
525.33423	3.0
553.40729	2.7
563.38538	18.7
581.39801	100.0
582.40155	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	581.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
53.29488	1.2
54.19045	1.1
55.05513	6.1
57.07081	5.9
59.04995	2.3
65.03925	1.4
67.05499	11.4
67.20485	1.2
69.03422	5.5
69.07070	9.7
70.18396	6.4
71.04996	2.6
71.44718	1.0
78.04701	1.3
79.05487	13.5
79.90113	1.2
81.03382	1.5
81.07058	15.7
83.04977	3.3
83.08614	4.9
85.02920	3.0
85.06517	1.9
91.05479	20.1
93.07040	26.5
95.04965	11.0
95.08610	17.9
97.06524	4.9
102.37053	1.2
103.05435	1.7
105.07020	51.4
107.04970	1.9
107.08589	20.5
109.06504	5.9
109.10155	13.4
111.08092	1.4
113.16132	1.6
117.07005	4.5
119.08574	31.8
121.06511	4.2
121.10146	35.9
121.11021	1.7
123.08079	10.6
123.11702	4.9
125.09704	1.8
128.06221	2.2
129.07036	6.4
130.07803	3.1
131.08557	16.4
133.06572	1.4
133.10124	34.8
133.11073	2.7
135.08051	8.2
135.11676	9.1
137.09657	5.6
139.11172	2.9
140.55847	1.2
141.06993	3.8
142.07791	7.8
143.08557	14.3
144.09364	3.9
145.10126	24.0
146.57104	1.2
147.08028	10.9
147.11658	7.3
149.09602	13.0
151.07529	11.5
153.01784	1.9
153.07068	1.4
153.09053	1.4
155.08530	9.0
156.09369	6.9
157.10118	20.2
158.07239	1.3
158.10904	2.1
159.08061	4.6
159.11682	16.2
161.09622	5.4
161.13287	3.6
163.11151	3.5
165.06990	3.1
165.09140	15.8
167.08568	3.4
167.10666	27.5
168.09361	3.1
169.10110	10.0
170.10965	2.8
171.11710	14.3
172.08955	1.6
173.09604	4.5
173.13226	11.2
175.11255	3.5
175.14867	5.4
177.09157	1.4
179.08603	5.7
180.09279	2.8
181.10077	7.9
181.12267	4.0
182.10907	3.6
183.11684	10.1
184.12456	2.1
185.09677	3.4
185.13251	10.0
187.11179	3.9
187.14803	9.9
189.12753	5.5
191.10660	2.0
191.14299	2.4
193.10126	5.1
193.11836	1.5
194.10924	3.2
195.02795	1.4
195.10219	2.0
195.11673	9.4
195.13306	1.5
196.08800	1.8
196.12502	3.6
197.13237	9.3
199.11218	1.5
199.14813	8.0
201.12752	3.3
201.16443	2.0
203.14334	7.4
205.10185	2.3
206.10957	3.6
207.11737	9.1
207.13857	6.3
208.12518	3.8
209.13266	9.3
209.15182	1.8
210.13960	1.5
211.11180	3.3
211.14825	6.5
213.16409	4.4
215.14317	3.4
217.10329	1.5
218.10953	2.2
219.11745	4.5
220.12547	3.4
221.13281	7.1
221.15315	37.7
223.14818	6.4
225.12810	2.4
225.16327	2.7
227.04303	1.3
227.14262	2.7
229.10120	1.8
231.11688	3.0
232.12445	1.7
233.13225	3.9
233.15401	10.5
234.14011	2.5
235.14774	3.3
237.12849	1.5
237.16356	3.4
239.14528	2.2
239.17975	4.0
241.19514	2.8
243.11742	2.8
244.12425	1.7
245.13300	2.9
245.15466	1.4
246.14182	3.0
247.14821	3.2
247.17090	2.4
249.16452	2.8
251.14374	1.9
251.17966	3.8
257.13196	2.4
258.14041	1.7
259.14703	2.4
260.15579	1.4
261.16394	4.4
261.18909	1.4
263.18076	3.0
267.17380	2.5
269.19025	2.0
270.13895	1.3
271.14825	1.8
273.07550	4.0
273.16226	2.6
275.17752	1.7
277.19400	1.6
283.14465	1.8
284.15707	1.7
287.17703	2.5
287.20505	1.7
289.19531	2.4
290.20331	2.0
295.20996	1.4
297.16367	2.3
299.20386	2.3
312.20895	8.7
313.19534	2.3
317.19107	1.7
317.22745	2.7
329.22479	1.6
359.23590	2.1
361.25415	1.8
373.25272	4.2
383.27011	1.4
393.24277	1.9
397.02103	1.3
407.29678	1.5
415.30069	1.6
553.40240	2.1
563.38849	13.1
581.39868	100.0
582.40198	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	581.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06799	0.2
51.73756	0.1
53.03927	0.3
55.01859	0.2
57.03418	0.2
66.58076	0.1
67.05491	0.4
69.03433	0.4
70.06574	0.3
71.04980	0.6
71.62847	0.2
71.63222	0.2
72.08145	0.5
78.04713	1.8
79.05486	1.6
81.03415	0.4
81.07067	0.4
83.04962	0.2
84.08121	0.1
85.02896	0.9
85.06563	0.1
86.09704	0.1
88.17416	0.1
91.05479	1.4
93.03435	0.2
93.07027	0.5
95.04966	0.9
95.08588	0.3
97.02881	0.7
97.06528	0.2
98.97364	0.1
99.04424	0.2
103.05465	0.8
103.72564	0.2
105.03392	0.3
105.07015	1.9
106.04154	0.9
107.04944	1.9
107.08581	0.3
109.02885	0.5
109.06519	0.3
110.03676	0.2
111.04412	0.2
115.05442	0.6
117.06995	0.3
118.04121	0.2
119.04967	0.7
119.08584	0.3
121.06507	1.0
121.10129	0.2
122.03646	0.2
123.04414	4.1
124.05190	1.7
125.05968	0.2
125.49511	0.1
127.03909	0.9
129.05489	0.2
129.07010	0.8
131.04840	0.7
131.08578	0.2
132.05711	0.2
133.06485	1.4
134.03609	0.2
135.04437	0.2
137.05972	1.3
144.05756	0.2
145.02879	0.2
145.06427	0.2
147.04388	1.9
147.08049	0.3
147.11639	0.2
149.05968	1.4
151.03877	1.1
151.07491	0.3
152.04674	1.6
153.01828	0.5
153.05461	0.4
155.04924	0.2
155.07043	0.2
159.08037	0.7
160.05151	0.2
161.05991	1.8
163.03937	0.2
163.07547	0.2
165.05550	0.2
165.09076	0.2
166.06250	0.3
167.07028	100.0
168.04263	0.1
168.07358	1.5
169.06369	0.1
171.08054	0.2
175.07530	1.4
177.05368	0.3
179.07016	0.5
180.94048	0.1
181.05103	0.2
181.08545	1.9
184.05135	0.2
187.07532	2.6
189.06871	0.2
189.09106	0.4
191.06995	1.8
191.08549	0.3
193.08588	3.6
193.10262	0.3
195.02870	0.5
199.07513	0.8
202.07825	0.2
203.08582	0.4
205.06554	0.2
205.08482	0.2
206.07303	0.2
207.06448	0.2
209.07927	0.2
211.09621	3.4
215.08621	0.3
217.08524	0.2
218.07220	0.4
219.08057	0.3
221.09610	0.4
229.06567	0.2
231.08034	0.3
232.08716	0.3
233.09647	0.5
234.06725	0.3
235.07565	0.5
243.07964	0.2
246.06674	0.3
247.07526	0.3
249.09105	0.7
250.09837	0.2
255.06567	0.2
257.05911	0.2
259.07501	0.2
260.08301	0.3
261.08963	1.0
262.06296	0.2
263.06970	0.3
266.09125	0.2
271.06055	0.4
272.06250	0.3
273.07486	0.8
277.08545	0.6
278.09241	0.4
281.11755	1.2
285.07639	0.3
289.08487	0.8
290.09210	0.2
291.10162	0.2
293.11722	0.4
294.08929	0.2
295.09558	0.2
305.07944	0.2
306.08780	0.7
307.09637	0.3
309.11273	1.0
310.11856	0.4
321.11179	1.5
322.11740	0.5
326.11569	0.3
327.12323	0.2
337.10657	0.2
338.11298	0.3
338.88800	0.2
341.13794	3.8
348.06204	0.2
352.12991	0.4
353.13742	5.6
355.15417	0.2
363.08337	0.2
371.14679	0.4
419.14853	0.2
581.19293	0.3
581.36377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06799	0.2
51.73756	0.1
53.03927	0.3
55.01859	0.2
57.03418	0.2
66.58076	0.1
67.05491	0.4
69.03433	0.4
70.06574	0.3
71.04980	0.6
71.62847	0.2
71.63222	0.2
72.08145	0.5
78.04713	1.8
79.05486	1.6
81.03415	0.4
81.07067	0.4
83.04962	0.2
84.08121	0.1
85.02896	0.9
85.06563	0.1
86.09704	0.1
88.17416	0.1
91.05479	1.4
93.03435	0.2
93.07027	0.5
95.04966	0.9
95.08588	0.3
97.02881	0.7
97.06528	0.2
98.97364	0.1
99.04424	0.2
103.05465	0.8
103.72564	0.2
105.03392	0.3
105.07015	1.9
106.04154	0.9
107.04944	1.9
107.08581	0.3
109.02885	0.5
109.06519	0.3
110.03676	0.2
111.04412	0.2
115.05442	0.6
117.06995	0.3
118.04121	0.2
119.04967	0.7
119.08584	0.3
121.06507	1.0
121.10129	0.2
122.03646	0.2
123.04414	4.1
124.05190	1.7
125.05968	0.2
125.49511	0.1
127.03909	0.9
129.05489	0.2
129.07010	0.8
131.04840	0.7
131.08578	0.2
132.05711	0.2
133.06485	1.4
134.03609	0.2
135.04437	0.2
137.05972	1.3
144.05756	0.2
145.02879	0.2
145.06427	0.2
147.04388	1.9
147.08049	0.3
147.11639	0.2
149.05968	1.4
151.03877	1.1
151.07491	0.3
152.04674	1.6
153.01828	0.5
153.05461	0.4
155.04924	0.2
155.07043	0.2
159.08037	0.7
160.05151	0.2
161.05991	1.8
163.03937	0.2
163.07547	0.2
165.05550	0.2
165.09076	0.2
166.06250	0.3
167.07028	100.0
168.04263	0.1
168.07358	1.5
169.06369	0.1
171.08054	0.2
175.07530	1.4
177.05368	0.3
179.07016	0.5
180.94048	0.1
181.05103	0.2
181.08545	1.9
184.05135	0.2
187.07532	2.6
189.06871	0.2
189.09106	0.4
191.06995	1.8
191.08549	0.3
193.08588	3.6
193.10262	0.3
195.02870	0.5
199.07513	0.8
202.07825	0.2
203.08582	0.4
205.06554	0.2
205.08482	0.2
206.07303	0.2
207.06448	0.2
209.07927	0.2
211.09621	3.4
215.08621	0.3
217.08524	0.2
218.07220	0.4
219.08057	0.3
221.09610	0.4
229.06567	0.2
231.08034	0.3
232.08716	0.3
233.09647	0.5
234.06725	0.3
235.07565	0.5
243.07964	0.2
246.06674	0.3
247.07526	0.3
249.09105	0.7
250.09837	0.2
255.06567	0.2
257.05911	0.2
259.07501	0.2
260.08301	0.3
261.08963	1.0
262.06296	0.2
263.06970	0.3
266.09125	0.2
271.06055	0.4
272.06250	0.3
273.07486	0.8
277.08545	0.6
278.09241	0.4
281.11755	1.2
285.07639	0.3
289.08487	0.8
290.09210	0.2
291.10162	0.2
293.11722	0.4
294.08929	0.2
295.09558	0.2
305.07944	0.2
306.08780	0.7
307.09637	0.3
309.11273	1.0
310.11856	0.4
321.11179	1.5
322.11740	0.5
326.11569	0.3
327.12323	0.2
337.10657	0.2
338.11298	0.3
338.88800	0.2
341.13794	3.8
348.06204	0.2
352.12991	0.4
353.13742	5.6
355.15417	0.2
363.08337	0.2
371.14679	0.4
419.14853	0.2
581.19293	0.3
581.36377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01857	0.5
55.05517	0.4
57.03408	0.7
61.02910	0.6
63.02362	0.5
68.99762	0.4
69.03426	1.4
69.62261	1.8
70.06577	1.7
70.51162	0.3
71.05006	1.2
72.08153	6.2
73.02905	0.4
77.03893	0.3
79.05471	0.7
81.03420	1.5
83.04941	0.3
84.08111	0.2
85.02904	3.6
86.09691	0.6
87.04461	0.5
89.03906	5.7
89.10783	1.2
91.05466	0.7
92.48997	0.2
95.04946	0.4
97.02900	1.2
98.03618	0.4
98.06049	1.1
98.09664	0.3
98.21455	0.5
103.03944	0.3
107.04945	2.6
109.02871	2.3
111.00765	0.5
111.04408	0.5
113.05996	0.9
115.08722	1.5
117.02601	0.4
117.03374	7.0
119.04932	0.7
121.02898	0.4
121.06499	0.3
123.04437	0.2
125.02332	0.4
126.03121	0.7
127.03914	1.6
133.02826	0.3
134.03603	0.4
135.04408	19.4
137.02345	2.9
139.03865	1.4
140.04686	0.2
141.05461	8.2
145.02835	14.3
145.06540	0.3
147.04405	4.2
149.05760	0.3
152.07065	0.3
153.01819	0.8
154.02525	0.4
155.04890	0.4
157.02867	0.3
161.02269	0.4
161.05942	0.5
163.03891	100.0
164.04211	0.7
165.01836	0.4
167.48853	0.3
169.04955	19.8
170.05685	0.3
171.02951	0.5
171.06551	0.5
173.02365	0.6
177.01938	0.3
177.05473	0.6
179.03348	0.5
183.02922	0.3
183.04388	1.4
184.05147	0.3
185.02371	0.4
187.07477	0.3
189.01825	0.3
191.03371	0.5
195.02853	1.3
197.05927	0.4
200.04666	0.3
203.03392	1.1
205.04967	0.3
207.02908	0.6
211.03879	1.1
212.04688	0.3
215.03429	0.3
215.07101	0.4
217.04929	0.3
218.11819	0.3
219.02885	0.6
223.03903	0.5
227.07059	0.6
229.05028	1.2
233.04387	0.4
233.10518	0.7
234.11238	1.0
235.14297	0.4
238.02534	1.4
239.03372	3.4
241.04703	0.3
243.02998	0.3
243.06509	0.8
245.04427	0.4
250.13324	0.7
251.13826	1.9
253.04912	2.7
255.06487	1.0
257.04486	0.4
267.02838	2.3
271.06009	2.6
273.04391	0.3
273.07495	2.3
281.04391	1.0
283.05865	1.2
284.06573	0.3
285.03928	1.2
285.07187	0.5
287.05508	0.5
289.75528	0.3
295.06094	0.5
297.07532	0.6
299.05469	21.0
307.05875	0.3
309.07449	0.3
310.04657	0.9
311.05493	4.8
311.08875	0.5
312.06024	0.4
313.07028	3.9
317.06329	0.3
321.07764	0.3
323.05472	2.9
323.08972	0.5
324.06223	0.9
325.06989	1.2
331.08145	4.6
333.07730	0.4
335.05533	0.4
336.06305	0.7
337.07095	2.5
338.07779	0.5
339.08636	0.7
341.06519	5.1
341.10666	0.3
349.06854	1.5
351.08691	1.7
353.06467	3.6
361.07043	0.9
365.06421	2.7
366.07190	0.3
367.08084	1.8
369.14502	1.1
370.12527	0.8
371.07434	0.7
375.08600	0.3
377.06485	1.3
379.08029	2.3
383.07281	0.6
384.14569	0.3
387.15573	2.6
389.06470	1.0
391.07983	0.7
395.07605	4.4
396.07980	0.3
401.17102	4.2
402.15561	1.4
403.08066	0.4
407.07553	3.8
413.08725	0.9
419.18097	20.3
420.18082	0.4
425.08606	6.2
426.09061	0.4
431.08072	0.8
437.08771	0.4
443.09668	7.6
444.09949	0.4
449.08884	0.8
455.09619	0.4
461.10672	1.4
467.09537	0.3
473.09946	0.9
475.12265	0.8
479.09753	0.5
485.10895	0.4
491.11215	0.9
493.13232	0.8
497.10703	2.0
509.11008	1.2
515.11938	1.7
527.11829	5.5
527.19214	0.2
528.12354	0.4
545.12775	2.9
545.20563	0.4
546.12915	0.3
549.20245	0.6
549.27448	0.6
563.13757	0.9
564.20874	2.7
581.23303	28.6
582.23773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.6
55.01849	0.4
55.05462	0.6
57.03374	0.9
61.02868	0.8
63.46068	0.2
64.77007	0.3
67.05444	0.8
69.03425	2.3
69.07033	0.4
69.89901	0.2
71.04934	1.1
71.62716	0.5
72.08110	0.3
73.02866	0.4
74.42216	0.2
79.05427	1.0
81.03348	1.2
81.06990	1.0
83.04932	0.5
83.08572	0.5
85.02900	5.7
85.44244	0.3
91.05428	0.7
93.07016	0.6
95.04916	0.6
95.08541	0.9
97.02875	1.9
99.04445	0.3
105.03352	0.4
105.06958	1.0
107.08521	1.1
109.02823	0.9
109.06456	1.0
109.10094	0.6
119.04884	0.5
119.08493	0.8
121.02732	0.4
121.10073	0.3
123.04400	0.6
123.07961	0.4
123.11666	0.3
127.03841	1.2
129.05431	0.5
131.04826	0.3
131.08479	0.4
133.02792	0.5
133.06470	0.4
133.10059	0.7
135.04303	0.5
135.08008	0.4
137.05898	1.0
145.04912	0.4
145.10001	0.3
147.04314	1.0
147.11659	0.3
149.05914	0.4
149.13174	0.3
150.03017	0.3
151.03883	2.4
151.04993	0.4
151.07478	0.3
152.10599	0.3
153.01810	1.5
155.01675	0.3
159.08037	0.4
159.11606	0.5
161.02235	0.3
161.13237	0.5
162.04094	0.3
163.03888	0.7
165.05493	0.7
165.06741	0.3
167.07042	4.4
167.08409	0.5
171.02829	0.4
171.11681	0.3
173.13216	0.3
177.05411	0.4
183.07979	0.5
185.05901	0.3
189.48868	0.3
191.03279	0.3
191.14267	0.5
195.02817	1.0
195.07907	0.3
197.09805	0.3
209.09554	0.5
211.07474	1.0
213.05341	0.9
219.02792	0.6
225.09076	0.6
226.09874	0.6
227.06929	0.5
227.10609	1.1
229.04759	0.3
235.07445	0.4
237.05434	0.5
239.06989	0.7
239.10651	0.4
249.09090	0.5
253.08618	1.8
254.09459	0.4
255.06396	1.5
271.05936	0.8
271.09747	0.3
272.06415	0.3
273.07465	3.2
291.06070	0.4
291.10141	0.3
301.08340	0.4
305.11676	0.7
315.09653	0.4
318.08765	0.5
319.09665	0.7
319.13425	0.3
321.07648	0.5
330.12549	0.4
333.07642	0.6
333.11139	1.2
334.08167	0.6
335.09052	0.5
337.06851	0.4
339.08673	0.9
343.09482	1.1
346.08411	0.6
347.09091	1.2
347.12808	1.2
349.10748	0.5
350.07733	1.5
358.11902	0.5
359.12814	0.4
361.06360	0.4
361.10663	4.1
362.07831	0.7
363.08536	1.1
364.09283	0.9
365.10138	1.5
369.11008	0.5
371.09042	2.1
372.09857	0.4
375.08401	0.7
375.12408	1.3
376.13019	0.9
377.10172	1.2
378.11160	0.4
379.11694	1.7
383.12360	0.5
385.10675	1.0
386.11523	2.1
387.12250	0.8
389.10138	5.1
389.14844	0.3
391.15399	0.8
401.13892	4.1
403.11459	1.5
404.12534	13.2
417.13235	0.5
419.14859	100.0
420.15204	1.1
461.16052	1.1
581.20142	69.5
582.20282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.4
54.60706	0.3
55.05463	0.4
57.03377	1.2
59.11269	0.3
61.02895	0.8
67.05438	1.0
69.03429	2.9
69.07023	0.7
71.04928	1.3
71.58986	0.3
71.62898	0.4
73.02866	0.7
79.05464	0.6
81.03351	1.4
81.06998	1.1
85.02900	4.5
85.06452	0.4
87.04420	0.6
89.79395	0.3
91.05437	0.9
93.07026	0.7
95.04903	0.9
95.08544	0.8
96.30537	0.3
97.02883	2.0
99.04406	0.4
105.06940	0.7
107.04939	0.5
107.08523	0.5
109.02805	1.2
109.06476	0.4
109.10157	0.6
119.08537	0.6
121.06403	0.6
121.10080	0.7
123.04362	0.7
127.03830	1.3
129.05437	0.4
129.06906	0.6
133.02763	0.5
133.10075	0.4
135.04356	0.5
137.02312	0.3
137.05899	0.9
141.07018	0.3
143.08543	0.4
144.60069	0.3
145.10127	0.4
145.14639	0.3
147.04434	1.5
147.11693	0.4
151.03885	2.4
153.01773	1.0
155.08516	0.4
157.10001	0.3
159.04385	0.5
161.05876	0.5
163.03825	0.5
165.05423	1.1
167.05840	0.4
167.07042	5.7
169.10106	0.4
170.15692	0.3
171.02844	0.6
171.08022	0.4
175.07480	0.3
183.08017	0.4
187.07442	0.4
191.06966	0.4
195.02795	0.7
197.05801	0.4
197.09592	0.3
207.08015	0.4
211.07536	1.5
213.05379	0.7
215.03348	0.4
219.02718	0.4
225.09024	1.1
226.09689	0.5
227.06865	0.4
227.10658	0.8
229.08359	0.4
233.09726	0.4
237.05386	0.7
239.06905	1.0
239.10550	0.5
249.08960	0.5
253.08595	1.6
254.09267	0.4
255.06480	1.6
255.10025	0.5
257.08084	0.4
271.05743	0.4
273.07602	2.7
295.10330	0.3
297.07675	0.3
305.11673	0.4
315.09744	0.5
319.05920	0.5
319.09692	0.5
321.07632	0.4
325.07077	0.5
329.11740	0.6
332.06607	0.4
333.07553	0.6
333.11163	1.6
334.08267	0.6
335.09009	0.5
337.06921	0.6
339.08771	0.3
343.09665	1.3
344.10361	0.4
346.08405	0.5
347.09039	1.3
347.12738	0.9
348.06085	0.5
348.09918	0.7
349.10724	0.6
350.07834	1.6
357.11160	0.4
358.12000	0.7
359.12790	0.4
361.06735	0.4
361.10684	4.5
363.08444	1.1
364.09399	1.0
365.10144	2.1
370.08740	0.4
371.09137	2.3
372.09857	0.7
373.10266	0.5
375.08231	0.6
375.12283	1.4
376.12955	0.8
377.10181	1.1
378.10962	0.6
379.11880	1.7
383.12680	0.7
385.10690	0.9
386.11435	2.5
387.12476	0.7
389.10165	5.3
391.15396	0.9
401.13898	4.1
403.11600	1.4
404.07132	0.7
404.12494	14.9
405.12994	0.4
417.13174	0.4
419.14856	100.0
420.15228	1.8
461.15894	1.7
581.20142	63.5
582.20410	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	581.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01855	1.9
55.05493	1.0
57.03410	2.7
61.02920	3.3
63.23259	0.5
67.05476	2.6
69.03419	10.5
69.07039	1.5
69.75788	4.4
71.04656	0.6
71.04989	5.1
72.08093	1.0
73.02893	2.1
78.04688	2.4
79.05496	4.6
81.03403	4.5
81.07016	2.3
81.10207	0.7
83.01297	0.6
83.04972	0.9
85.02901	18.6
87.04449	1.7
91.05454	2.3
93.07027	3.0
95.04945	1.8
95.08585	2.4
95.86092	0.8
97.02877	5.7
97.06522	0.9
99.04414	1.3
103.05465	1.7
105.07005	3.6
106.04151	1.4
107.04963	3.7
107.08549	2.5
109.02851	3.2
109.06519	1.2
109.10123	1.3
111.04404	0.8
117.07005	0.8
119.04932	2.1
119.08533	1.3
121.02840	5.7
121.06482	2.2
121.10129	1.5
121.70454	0.7
123.04412	6.8
123.11720	1.1
124.05188	1.6
127.03905	7.3
128.04195	0.8
128.06206	1.2
129.05496	1.5
129.06966	1.6
131.04906	3.2
131.08534	2.0
133.02887	1.4
133.06459	2.6
134.03607	0.6
135.04411	3.2
135.11694	0.7
137.05951	1.9
145.04953	0.7
145.06445	1.1
145.10118	1.2
147.04407	3.7
147.11630	1.1
149.05937	1.3
149.09583	1.4
151.07477	1.3
152.04681	1.3
153.01796	3.7
153.05379	1.4
157.06548	1.3
159.04387	6.2
159.08029	2.2
161.05943	2.9
163.07571	0.7
163.11247	0.9
167.07028	100.0
167.20578	0.7
168.07516	0.7
171.02859	0.9
174.06735	0.7
175.07510	2.3
177.05380	0.8
181.08620	2.1
185.05954	1.6
187.07549	6.7
189.05479	1.9
189.08966	0.8
190.07687	1.0
191.07024	1.0
193.08556	3.6
193.10146	0.9
195.02873	2.8
195.08125	1.0
196.08894	0.7
197.09677	1.1
199.07498	1.3
203.07016	1.8
205.04881	1.0
207.06566	1.1
211.09509	4.4
213.05455	21.4
217.08597	0.8
219.02971	0.9
229.04897	1.2
231.06502	1.2
233.09596	1.4
237.08995	1.0
239.10663	1.2
241.04839	0.8
249.09134	1.1
250.06245	1.7
251.07111	1.0
260.08267	1.1
261.09174	2.0
262.59851	0.7
265.08615	1.1
271.05844	1.3
273.07550	6.7
275.10632	0.8
275.83466	0.6
277.08609	1.4
281.11832	1.2
288.07718	0.8
289.08551	1.9
292.07056	0.7
293.08185	0.8
295.06094	6.2
303.09985	4.9
305.08078	1.3
306.08713	1.9
307.05920	2.5
307.09427	1.3
309.11295	1.3
311.10403	0.8
313.06973	1.1
317.08179	1.4
318.08847	1.1
319.09756	1.6
321.07578	8.6
321.11389	2.3
331.09601	25.2
331.13461	1.3
333.07516	1.7
333.11130	1.0
334.08383	3.2
335.09134	1.3
339.09366	1.2
340.10907	1.5
341.14035	3.3
343.09573	1.9
347.09091	14.2
347.13141	1.2
348.09872	2.2
349.10681	81.0
353.13943	4.3
354.12692	1.5
355.13336	1.9
357.10846	1.1
358.08279	2.0
358.12274	1.1
359.09042	4.1
359.12918	2.1
361.10672	1.6
363.08524	1.5
363.12396	0.9
365.10895	2.1
367.09637	1.6
368.10666	1.6
369.11234	1.0
371.09207	5.1
371.13287	0.9
373.10574	1.1
373.14392	7.0
377.10104	0.9
383.12738	16.4
385.10721	2.0
386.11444	3.0
387.11554	0.8
391.11566	1.4
391.15576	13.0
393.13272	1.1
401.13818	76.7
404.12375	1.4
419.14856	38.6
425.13568	0.8
443.14951	3.0
461.15833	1.1
511.16013	10.8
553.20612	5.2
563.19080	71.3
581.20135	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.01852	0.3
55.05474	0.4
57.03395	0.6
61.02883	0.5
67.05453	0.8
69.03417	1.9
69.07032	0.4
70.04937	1.1
71.04950	0.4
73.02875	0.3
74.50185	0.3
79.05428	0.7
81.03369	0.6
81.07002	0.7
85.02896	2.5
87.04414	0.4
91.05417	0.7
93.06993	0.5
93.61084	0.2
94.84576	0.3
95.04931	0.5
95.08538	0.7
97.02834	1.0
99.04401	0.3
100.38554	0.2
103.77642	0.2
105.06979	0.6
107.04883	0.6
107.08553	0.3
109.02813	0.4
109.06461	0.4
109.10087	0.5
117.06998	0.3
119.04918	0.5
119.08541	0.4
121.02821	0.4
123.04417	1.5
127.03885	0.6
129.06914	0.5
131.08504	0.4
133.02881	0.4
133.10124	0.5
134.29260	0.2
135.04422	0.4
137.02335	2.3
137.03294	0.4
141.07048	0.3
143.08485	0.3
145.06476	0.3
145.10112	0.2
147.04358	0.8
149.02274	0.6
151.03882	1.5
151.07570	0.3
153.01778	0.6
159.04346	0.8
161.02251	0.5
161.05930	0.4
163.07458	0.3
167.06955	1.1
171.08026	0.5
171.11519	0.3
183.07964	0.4
187.07454	0.6
193.10030	0.6
195.02818	0.2
195.08051	0.5
197.09520	0.3
199.07599	0.4
211.07417	0.6
212.08339	0.4
213.05440	2.0
213.09055	0.5
215.06964	0.6
223.11081	0.3
225.05415	0.7
225.08986	0.8
226.09848	0.5
231.06538	0.3
239.07050	0.3
239.10597	0.3
241.12277	0.6
247.07349	0.3
248.08243	0.4
249.09047	0.3
251.07050	0.4
253.08510	0.4
263.10577	0.3
267.10129	1.1
271.06015	0.7
272.06277	0.4
273.07352	0.4
276.28827	0.2
287.06689	0.3
291.10007	0.4
293.08115	0.5
303.10001	0.7
305.07898	0.4
306.09119	0.3
307.06024	0.4
311.05435	0.9
317.07962	0.3
319.09573	0.6
321.07468	0.9
323.05423	0.9
323.09061	0.3
325.07172	0.4
330.08997	0.4
331.09525	0.9
333.07571	0.5
334.08401	0.7
335.08945	1.3
336.09747	0.3
337.06927	1.4
340.10959	0.4
343.09698	0.7
345.07419	0.3
347.09146	3.7
349.06845	0.4
349.10776	1.2
350.07712	0.4
351.08325	0.4
353.09958	0.4
357.07462	0.5
357.11353	0.6
358.11972	0.3
359.09018	2.9
359.12894	0.5
360.09644	0.4
361.06845	0.7
361.10785	1.3
363.08478	1.3
364.09357	0.8
365.10165	7.4
371.09171	2.8
373.10327	0.4
373.14334	0.7
375.08020	0.4
375.12234	1.0
377.10098	2.8
377.14053	0.5
379.11749	0.5
383.12564	1.6
385.10690	1.3
386.11545	1.0
387.12161	0.4
389.10010	1.3
390.10471	0.3
391.11136	0.4
391.15350	1.1
401.13806	8.3
403.11832	1.3
404.12488	4.0
418.14053	1.2
419.14853	84.0
420.15167	1.1
461.15903	0.7
509.76932	0.3
563.18652	0.4
581.20123	100.0
582.20471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.4
55.01838	0.3
55.05469	0.4
55.06294	0.2
57.03406	0.5
61.02895	0.4
67.05462	1.0
69.03428	2.2
69.07042	0.6
71.04977	1.3
71.44530	0.4
71.44900	0.5
73.02882	0.5
79.05448	0.9
81.03362	1.1
81.07021	0.7
85.02900	3.4
87.04421	0.3
91.05428	0.5
93.07011	0.4
95.04906	0.6
95.08575	0.5
97.02832	1.2
99.04387	0.2
105.03285	0.3
105.06973	0.7
107.04920	0.7
107.08564	0.5
109.02842	0.6
109.10107	0.4
115.85116	0.2
119.04883	0.5
121.02834	0.9
121.06455	0.4
121.10129	0.3
123.04430	1.9
127.03874	0.6
131.04861	0.3
131.08530	0.4
133.02769	0.4
135.04340	0.8
137.02342	2.6
137.05966	0.3
143.08539	0.3
147.04343	0.6
149.02260	0.5
151.03864	1.5
153.01802	0.6
159.04442	0.4
161.05928	0.3
167.07033	1.9
169.06386	0.4
171.07954	0.4
173.05933	0.3
179.08505	0.4
183.02856	0.3
185.05981	0.4
187.07494	0.5
189.05424	0.4
193.10088	0.6
195.02878	0.4
197.05873	0.4
199.07487	0.6
201.05418	0.4
208.08784	0.5
209.09612	0.4
211.07480	0.4
212.08379	0.3
213.05441	2.3
223.11087	0.3
224.08188	0.3
224.92230	0.3
225.05412	0.7
225.09123	0.8
226.09943	0.4
227.06996	0.4
231.06473	0.3
233.09724	0.3
235.11142	0.3
237.09012	0.3
239.06973	0.3
241.12181	0.6
245.09500	0.3
249.09076	0.4
251.06961	0.3
253.08504	0.7
261.09323	0.3
265.08743	0.4
267.10092	1.2
271.06003	0.3
273.07458	1.1
275.10675	0.3
277.08554	0.4
285.09015	0.5
290.09375	0.5
301.08731	0.3
303.10181	1.1
307.05994	0.4
311.05521	1.5
311.08859	0.3
317.07877	0.4
318.08960	0.3
319.06113	0.3
319.09631	0.9
321.07571	0.9
323.05365	0.7
325.07065	1.2
330.08743	0.4
331.09689	0.8
333.07486	0.7
334.08316	1.1
335.05539	0.4
335.09100	1.7
337.07101	1.6
337.10559	0.4
340.11011	0.4
343.09735	0.7
345.07559	0.5
345.14871	0.5
347.09109	4.4
348.09830	0.4
349.06903	0.6
349.10733	1.3
350.07813	0.6
351.08566	0.4
353.10156	0.4
357.07471	0.4
357.11166	0.7
358.12000	0.4
359.09106	3.4
359.13019	0.5
361.06921	0.4
361.10773	1.5
363.08444	1.4
364.09302	1.0
365.10156	7.2
371.09177	2.9
373.10406	0.5
373.14426	0.6
375.12347	1.0
377.10059	3.3
377.13879	0.3
379.11884	0.4
381.13104	0.3
383.12759	1.9
385.10730	1.3
386.11670	1.4
387.12396	0.4
389.10199	2.1
391.11069	1.3
391.15961	0.6
401.13837	8.7
403.11807	1.1
404.12500	3.2
418.14072	0.9
419.14856	89.8
420.15665	1.3
420.20120	0.3
461.16083	0.6
581.20117	100.0
582.20313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39405	0.2
53.93115	0.2
55.01832	0.4
55.05466	0.4
57.03390	0.5
61.02873	0.7
61.90184	0.2
65.03917	0.3
67.05444	0.9
69.03423	2.5
69.07026	0.5
69.64539	1.1
69.64964	0.7
71.04931	0.9
73.02877	0.6
79.05457	0.4
81.03367	1.1
81.06988	0.8
83.78293	0.3
85.02898	3.2
87.04409	0.6
91.05431	0.9
93.06997	0.6
95.04905	0.6
95.08549	0.5
97.02875	1.4
99.04390	0.4
103.05398	0.4
103.83326	0.3
105.03351	0.5
105.06958	0.8
107.04906	0.7
107.08509	0.5
107.77010	0.3
109.02807	0.7
109.06456	0.3
109.10120	0.3
111.27852	0.3
112.79460	0.2
115.05374	0.3
119.04917	0.6
119.08490	0.4
121.06463	0.2
121.10111	0.3
123.04396	1.8
127.03848	1.1
129.06958	0.4
131.04831	0.3
131.08531	0.4
133.02769	0.3
133.10086	0.3
135.04355	0.7
135.07968	0.2
135.11565	0.2
137.02344	3.1
137.05908	0.8
137.09612	0.3
141.06892	0.3
143.08467	0.3
145.06322	0.3
147.04323	1.1
147.08107	0.3
149.02275	0.3
149.05902	0.3
151.03882	1.5
153.01782	0.8
155.08536	0.3
157.10005	0.3
159.04395	0.7
159.08043	0.5
159.11642	0.3
161.02316	0.4
163.03831	0.3
165.06975	0.3
167.07025	2.4
169.06453	0.4
171.07977	0.4
173.05911	0.4
177.01852	0.5
179.08356	0.3
181.06404	0.3
183.02882	0.5
183.07980	0.3
183.11707	0.4
187.03886	0.3
187.07439	0.6
189.05464	0.4
193.10104	0.6
195.02846	0.6
195.08006	0.3
197.05940	0.4
199.07472	0.4
201.05402	0.3
203.03323	0.3
203.07013	0.3
208.08707	0.4
209.09598	0.4
211.07486	0.5
212.08344	0.3
213.03990	0.2
213.05476	2.2
219.02824	0.3
219.06358	0.3
219.38693	0.3
223.11180	0.4
225.05426	0.6
225.09120	0.6
227.06950	0.5
231.06447	0.4
237.02858	0.4
237.05298	0.3
237.09052	0.4
239.06912	0.6
239.10657	0.4
241.12263	0.6
245.04173	0.3
245.09525	0.4
249.09044	0.5
251.06892	0.4
253.08768	0.6
256.70798	0.3
267.09998	0.9
269.07822	0.3
271.06128	0.7
272.06299	0.5
273.07492	2.2
275.06796	0.3
275.10577	0.4
277.08490	0.4
281.08258	0.3
285.11279	1.0
288.07626	0.4
289.08658	0.3
290.09442	0.5
301.08548	0.5
303.09998	0.6
307.09668	0.4
309.11856	0.3
311.05475	1.5
315.09705	0.3
317.08057	0.3
319.09479	0.4
321.07578	0.9
321.11224	0.5
323.05472	0.8
325.07083	0.4
330.08725	0.5
331.09625	1.0
333.07434	0.8
333.11163	0.4
334.08264	1.0
335.09155	1.4
337.07016	1.6
339.08609	0.4
343.09631	0.7
345.14725	0.3
346.08347	0.4
347.09167	3.9
348.09756	0.3
349.06891	0.5
349.10699	1.4
351.08310	0.4
357.07413	0.7
357.11279	0.6
358.12064	0.4
359.09122	3.2
359.12982	0.4
361.06842	0.6
361.10699	1.4
363.08588	3.4
364.09344	1.1
365.10196	7.4
371.09085	3.0
373.10452	0.6
373.14471	0.9
375.08267	0.6
375.12326	0.8
376.13156	0.3
377.10074	2.7
377.14017	0.5
379.11652	0.7
383.12735	2.1
385.10544	1.7
386.11374	1.1
387.12061	0.4
389.09906	1.4
391.11652	0.8
391.15558	0.7
401.13837	9.4
403.11737	1.3
404.12485	4.3
405.13132	0.6
418.14020	1.3
419.14862	91.7
420.15164	1.1
443.14453	0.3
461.16003	0.7
563.19586	0.3
581.20142	100.0
582.20428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77999	0.6
57.03431	9.0
59.04999	0.9
61.02905	1.1
64.89552	0.6
67.01856	1.3
68.99796	1.5
69.03429	5.3
70.10197	3.1
71.04987	52.6
73.02898	1.9
75.04462	2.2
81.03408	1.1
83.04980	2.1
85.02897	65.7
87.04472	1.1
88.42411	0.6
91.05468	1.4
95.04922	0.9
97.02885	2.1
99.04425	0.9
103.03934	0.7
107.04961	3.2
109.02850	2.0
111.04443	2.1
119.04939	6.0
121.02869	2.4
121.06498	2.4
123.04449	1.9
125.02374	1.5
127.03868	1.0
129.04494	0.8
129.05469	15.8
129.06367	1.4
131.07666	0.7
135.04402	3.7
147.04402	21.6
147.06386	4.7
149.02451	0.7
153.01814	46.1
163.03868	1.0
165.01814	7.3
165.32112	0.6
167.07089	0.8
171.02873	13.5
177.01834	3.4
178.24828	0.7
179.03345	1.4
182.28217	0.7
183.02861	6.4
189.01819	1.1
189.05403	0.7
191.03378	6.8
195.02876	36.4
197.00726	0.8
203.03409	1.5
207.02844	1.9
213.03812	1.0
217.05017	1.1
219.02866	15.2
221.04370	1.2
231.02892	3.6
237.03925	1.8
243.02844	1.2
243.76059	0.7
245.04414	8.4
249.04041	2.2
257.04385	0.9
261.03931	5.6
263.05435	8.2
263.07455	0.7
271.06006	12.2
272.06305	11.4
273.07553	100.0
274.07907	1.0
279.04990	1.1
281.06659	3.8
285.07513	6.8
287.05688	0.9
297.07733	4.0
309.07629	0.7
315.08569	13.0
321.06540	0.8
339.08615	11.9
351.08630	3.1
365.10208	3.5
369.09750	1.6
371.07455	0.7
381.09708	3.8
381.77887	0.8
383.11194	10.1
399.10715	3.7
401.12170	3.7
407.09460	0.8
417.11832	6.3
419.13428	4.6
425.11917	0.7
435.12799	4.3
441.69046	0.7
454.39569	0.7
565.53064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1855
Annotation	Naringin chalcone
Peak:m/z	Relative Intensity
53.03925	0.8
54.28217	0.9
55.75341	0.9
57.03430	10.0
60.97163	0.8
61.02896	1.4
64.12419	1.1
67.01847	1.9
68.99783	1.5
69.03107	1.0
69.03426	9.1
69.35503	5.0
69.35933	3.6
71.04988	54.0
73.02889	2.4
75.04472	2.8
81.03413	1.1
83.04961	1.7
85.02900	65.9
87.04468	1.7
91.05470	1.4
91.69619	0.7
97.02863	2.0
99.04422	1.3
107.04987	1.9
109.02859	1.5
111.04457	1.8
119.04925	4.3
121.02856	1.8
121.06414	1.2
123.04442	1.6
127.03931	1.7
129.05461	16.7
135.04401	2.5
147.03204	1.2
147.04401	21.9
147.06393	4.6
153.01814	45.3
163.03931	1.5
165.01851	8.9
171.02869	12.5
177.01779	4.5
179.03386	1.9
183.02872	4.8
189.01811	1.1
191.03397	5.8
195.02884	43.2
203.03354	2.1
207.02835	1.1
209.04440	1.0
213.03862	1.3
217.04997	1.0
219.02843	13.8
221.04477	1.2
231.02838	3.2
237.03976	1.8
243.02968	1.3
245.04494	7.0
249.03629	1.1
261.03922	5.0
263.05487	8.9
271.05994	13.9
272.06320	11.2
273.07562	100.0
274.07996	1.7
279.05026	1.3
281.06549	2.9
285.07523	7.5
297.07822	5.4
299.33368	1.0
315.05075	1.6
315.08551	13.3
339.08588	12.7
351.08551	2.5
365.10162	3.5
381.09543	3.6
383.11145	11.1
399.10809	4.0
401.12192	3.0
417.11700	6.6
419.13300	4.9
435.12863	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	581.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05491	0.4
57.03181	0.4
57.03433	3.1
65.03931	0.6
67.01907	0.4
67.05502	0.4
68.64765	0.3
68.99778	0.9
69.03427	6.2
70.06574	0.9
71.04990	12.0
71.63352	0.7
72.08154	2.3
73.02882	0.7
75.04462	0.9
79.05492	0.3
81.03394	1.3
81.07034	0.5
83.04932	0.5
84.08135	0.5
85.02901	21.0
86.09726	0.4
87.04475	2.0
91.05432	0.7
95.04953	1.2
97.02902	2.6
98.06049	0.4
98.09693	0.3
99.04443	0.6
103.03986	0.4
103.05494	0.4
105.03405	0.5
105.47528	0.3
107.04931	1.5
109.02848	1.5
110.02391	0.6
111.00835	0.5
111.04433	0.7
113.06010	0.3
115.03905	1.8
119.04925	2.1
121.02873	2.3
121.06517	0.7
123.04410	1.5
126.45822	0.3
127.03905	1.9
127.04684	0.3
129.05481	4.1
131.04918	0.4
133.04919	1.6
135.04420	2.5
137.02310	0.9
138.05476	0.3
145.04988	0.7
147.04399	9.3
147.06473	1.2
149.02338	1.5
152.07018	0.7
153.01823	18.0
161.02335	1.1
161.05936	0.3
163.03876	1.0
165.01796	1.7
167.07027	0.8
168.27309	0.4
171.02898	3.8
175.03885	0.7
177.01805	1.1
177.05397	0.6
179.03365	0.9
183.02892	2.0
185.05968	0.6
189.05482	0.6
191.03416	2.0
193.04965	0.5
195.02879	13.6
199.03860	0.4
203.03348	1.8
203.06963	0.6
207.02890	0.7
213.05452	1.3
215.03398	0.5
217.04907	1.8
219.02878	4.1
221.04451	0.7
231.03096	0.5
231.06503	2.7
235.14333	0.3
237.04044	0.5
241.04956	6.7
241.08658	0.4
245.04448	3.9
259.05951	0.5
261.04010	0.8
263.05493	5.3
269.04425	3.2
273.07574	25.2
281.06479	1.5
283.06042	0.5
285.07562	1.5
286.04764	0.5
287.05487	100.0
288.05890	1.7
295.05768	0.6
297.07629	2.2
299.05334	2.0
300.06137	0.5
310.04715	0.5
311.05563	2.2
313.07077	0.8
315.08643	5.1
323.05499	1.4
324.06241	0.4
325.07059	1.3
329.06418	2.7
336.05948	0.4
337.07016	1.1
339.08612	3.9
341.06442	1.6
349.07059	0.7
351.08542	0.7
353.06454	2.0
365.06473	1.2
365.10349	1.5
367.07919	0.4
379.08035	0.7
381.09717	0.6
383.07373	1.2
383.11609	3.0
395.07376	2.0
399.10287	0.6
401.12323	1.3
407.07645	1.2
413.08740	0.6
417.11349	0.6
419.09396	1.1
425.08734	1.9
431.09665	0.8
443.09702	2.5
449.10867	7.8
461.10251	0.5
473.10690	0.5
493.23431	0.5
497.10599	1.3
509.11151	0.4
515.11737	0.9
527.11951	1.1
545.12885	1.6
563.14075	0.4
563.22894	0.9
581.24146	1.4
581.31738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01873	4.4
56.12931	0.9
57.03420	2.1
61.02906	2.1
68.99767	1.0
69.03412	1.7
70.06570	3.6
70.07443	1.9
70.07838	2.3
72.08155	8.5
73.02898	1.3
79.05445	0.9
81.03391	1.9
85.02913	4.8
86.09750	0.9
89.03911	3.4
89.10768	2.5
93.03391	1.2
96.37497	0.8
97.02869	1.6
103.03933	2.0
103.05399	1.1
107.04945	2.3
109.02872	2.6
117.03355	4.0
121.02866	2.0
123.04449	1.0
127.03867	1.3
135.04416	14.1
137.02327	28.1
137.03354	1.3
141.05434	4.4
145.02812	8.2
147.04369	2.3
151.03845	1.1
159.04448	1.5
161.02328	3.5
161.05898	0.9
163.03882	63.7
169.04935	5.8
173.02309	1.2
173.05898	1.3
175.03842	1.1
177.01764	1.6
178.04938	1.3
179.03392	1.9
187.03888	2.4
189.01816	5.2
189.05476	1.9
191.03383	4.6
195.02885	5.8
199.03882	1.0
201.01921	1.5
201.05458	1.3
203.03395	10.9
205.04939	2.1
207.02818	5.8
209.04376	1.4
211.03851	1.4
213.01822	0.9
215.03375	4.6
217.04997	4.9
219.02843	4.0
221.04402	4.3
227.03410	2.2
229.04872	2.7
231.02905	1.7
233.04500	4.6
233.10527	1.3
234.11470	1.4
239.03340	2.7
241.04959	2.5
243.02957	2.1
243.06413	1.2
245.04390	3.4
250.13040	2.3
251.13914	3.7
253.04990	1.2
261.03925	2.1
267.02887	2.4
270.05069	1.0
271.06042	1.2
273.03906	2.0
273.25995	0.8
279.06537	1.3
283.06067	4.5
284.06726	2.4
285.04108	1.4
286.71658	0.9
287.05597	1.0
295.06033	3.0
296.06921	1.1
297.07544	4.0
299.05484	12.7
305.08005	1.1
307.05975	2.3
308.06635	2.6
309.07602	3.2
310.04684	12.1
311.05481	49.4
312.06161	4.2
313.06940	6.2
321.07547	2.4
322.08411	1.4
323.05484	37.5
323.08960	2.6
324.06192	10.1
325.07071	12.0
329.06589	2.9
331.08374	2.1
333.07446	2.1
335.05453	4.8
336.06259	6.9
337.03119	1.9
337.07031	32.3
337.11078	1.6
338.07849	4.6
339.04810	2.0
339.08609	5.6
341.06509	47.9
342.06503	1.1
345.07556	3.8
349.07025	16.6
350.07706	3.8
351.04849	1.3
351.08557	17.8
352.05606	3.2
353.06525	44.2
355.08112	4.7
361.06982	12.2
362.07535	1.2
363.08435	4.8
364.05649	2.3
365.06512	37.0
366.07053	1.5
367.08109	19.9
369.14178	1.2
371.07666	9.4
375.08511	2.6
377.06491	22.7
377.11133	1.6
378.07214	1.4
379.08109	23.5
383.07718	6.2
387.15399	6.4
389.06299	10.6
389.10583	1.0
391.08127	5.8
393.05429	1.0
395.07596	47.4
403.08142	4.9
407.07535	42.4
409.09192	1.4
413.08640	2.1
415.08029	1.1
417.09668	4.5
419.07693	5.7
419.18045	33.5
421.08945	2.6
425.08621	74.9
431.07529	5.9
433.09058	3.6
437.08710	5.9
443.09714	100.0
445.09122	2.4
449.08701	8.4
455.09598	3.2
461.09344	5.9
463.11081	1.1
467.09534	1.8
473.10675	9.9
479.09650	5.1
485.10889	1.9
491.11322	9.6
497.10822	25.1
509.10730	12.6
515.11810	16.3
527.11798	69.8
545.12885	37.4
545.21143	2.0
563.13849	16.0
563.22369	1.4
581.14563	5.5
581.23145	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	581.1497
Annotation	LMPK12110490
Peak:m/z	Relative Intensity
55.01865	4.4
61.02921	2.5
66.92258	0.9
69.03427	1.2
69.80961	2.5
69.81364	4.7
72.08130	1.1
78.24034	0.9
81.03410	2.1
85.02898	3.5
91.05460	1.3
102.18021	1.1
103.03928	2.5
107.04969	2.8
109.02874	1.7
115.05450	1.2
121.02866	1.4
121.68609	1.0
135.04393	4.2
137.02330	23.7
137.03387	1.9
137.05856	1.0
147.04422	2.0
159.04408	1.5
161.02333	4.1
163.03918	3.1
165.49211	0.9
171.04419	1.5
173.05968	1.7
175.03951	1.7
177.05482	1.7
179.03313	1.7
187.03926	1.8
189.01866	4.2
191.03424	2.4
195.02892	4.9
199.03957	1.4
201.05428	1.7
203.03343	9.2
205.04988	1.9
207.02869	6.2
209.08139	1.1
215.03448	3.4
217.04990	3.6
219.02835	3.1
221.04454	4.7
227.03375	2.1
229.04871	1.9
233.04439	2.5
241.04996	1.4
243.02795	1.8
243.06451	1.0
245.04453	2.6
245.71959	1.1
255.03107	2.3
255.06212	1.0
259.05737	0.9
261.03891	1.5
268.07925	0.9
273.03949	2.7
283.06171	2.8
284.07007	2.4
286.31497	1.0
295.06009	2.4
296.06735	2.5
297.07794	2.6
299.05588	4.5
300.06335	1.5
307.05939	1.2
308.06711	2.1
309.07590	3.1
310.04654	11.3
311.05487	55.2
312.06134	3.3
313.07175	5.8
322.08124	1.4
323.01581	1.9
323.05484	34.9
323.08768	1.8
324.06262	13.2
325.06995	14.2
329.06659	4.0
333.07620	3.2
335.05417	5.0
336.06241	6.1
337.03433	0.8
337.06995	30.8
338.07764	5.8
339.04868	2.8
339.08743	4.7
341.06509	51.8
342.07190	1.2
345.07455	3.3
347.05511	1.3
349.07068	15.0
350.07788	3.7
351.04950	1.1
351.08609	17.5
352.01233	1.1
352.05774	2.6
353.02142	2.2
353.06509	40.8
354.07291	1.0
355.08118	4.0
361.06998	10.9
363.08554	4.7
365.06516	38.8
365.10065	1.8
366.07196	1.4
367.08078	18.9
371.07639	5.7
375.08456	3.2
377.06470	22.2
378.07144	1.4
379.08072	20.2
381.09708	2.3
383.07639	6.3
389.06470	13.5
389.10638	1.5
391.08279	7.7
393.09949	1.7
395.07593	52.6
396.07709	1.1
398.90891	1.1
403.08133	5.7
405.09656	1.9
407.07556	45.8
408.08197	1.9
409.09006	1.4
413.08676	7.2
415.08264	1.5
417.09769	3.2
419.07547	9.0
421.09302	2.9
425.08624	66.1
431.07123	5.8
433.08679	4.5
437.08542	5.9
443.09711	100.0
445.09061	2.9
449.08624	10.7
455.09720	3.7
461.10388	11.3
463.09995	2.1
467.09796	4.6
473.10760	13.7
479.09796	5.2
485.10684	7.6
491.11041	9.1
497.10742	30.5
509.10803	13.7
515.11823	28.2
527.11792	62.0
545.12854	36.6
545.21332	1.5
563.13831	21.6
581.14923	12.2
581.23425	1.1
603.98798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.2
53.96946	2.4
55.01862	11.8
55.05508	21.3
57.03438	24.7
60.04508	5.4
61.02925	13.5
65.03927	5.5
67.05496	58.8
68.67145	2.7
69.03423	30.4
69.07064	69.5
70.06578	6.6
71.04996	35.7
71.63387	4.9
72.04501	3.1
72.08141	6.2
73.02903	10.2
79.05486	64.9
81.02973	3.6
81.03412	36.0
81.07051	70.4
83.04982	18.3
83.08614	16.7
84.08134	6.5
85.02897	40.1
85.06527	8.5
86.09682	3.1
91.03937	7.9
91.05473	51.6
93.07036	70.2
95.04961	26.2
95.08595	39.2
96.04476	3.1
97.02894	30.7
97.05903	5.2
97.06523	100.0
97.10152	6.0
99.04420	7.0
99.08083	11.4
103.03932	3.8
103.05450	4.8
105.07016	44.0
105.58228	2.7
107.04940	27.8
107.08586	42.8
109.02856	21.1
109.06503	32.1
109.10141	19.3
109.42426	3.0
111.04404	5.8
111.08060	11.4
113.06013	5.4
115.05437	3.3
115.07557	41.6
117.07010	16.6
119.04916	11.2
119.08565	29.2
121.02877	3.8
121.06482	14.7
121.10131	19.5
123.04430	15.8
123.08053	12.2
123.11694	6.3
124.07616	3.2
125.06005	5.9
125.09624	5.9
127.03891	27.8
127.07606	4.6
128.04170	4.2
129.05473	7.1
129.07001	10.2
131.04900	4.7
131.08556	24.8
133.06474	11.1
133.10130	24.1
135.04478	3.4
135.08025	10.0
135.11705	13.6
137.02205	3.2
137.05975	10.8
137.09659	3.8
138.90718	3.1
139.03893	4.4
141.06912	3.9
143.08536	11.8
145.02831	4.7
145.04971	3.8
145.06461	6.6
145.10121	18.7
147.04401	27.9
147.07993	9.5
147.11649	10.0
148.04630	3.0
149.05966	6.6
149.09589	13.3
149.13245	18.6
151.07568	3.1
151.11179	9.8
153.01813	19.0
153.05438	9.0
155.08652	3.3
157.10098	11.7
159.02962	2.8
159.08060	6.3
159.11676	27.1
161.05865	4.4
161.09615	11.2
161.13206	5.7
163.11189	9.1
165.08998	4.0
167.07021	61.4
168.07353	7.7
169.10104	5.2
171.02811	3.9
171.11609	6.3
173.04535	6.6
173.09558	3.1
173.13260	5.2
175.03828	5.0
175.07541	4.3
175.11159	7.6
177.05455	8.0
177.12752	21.1
179.06985	2.8
179.14342	5.3
181.04971	3.1
182.11734	11.5
187.11160	6.6
189.12724	3.7
193.08635	7.8
195.02907	5.3
195.13757	11.0
199.14793	5.4
201.12749	4.8
205.12251	3.3
207.06487	10.2
217.08539	3.1
217.15929	9.5
221.15274	4.2
233.15273	15.6
236.12746	3.1
245.18994	6.4
251.16310	4.4
255.15820	9.0
269.17453	74.0
271.05988	40.9
272.06317	57.4
273.07544	29.5
273.18491	37.5
284.06158	3.4
285.07419	19.2
286.07831	13.5
291.19449	24.6
295.05774	5.0
295.09039	3.5
297.16946	10.6
307.18951	6.1
313.06979	3.4
315.08740	3.3
325.06921	3.9
325.19870	4.3
332.27899	4.7
338.10895	3.9
347.22269	20.4
349.06998	5.9
365.23193	52.8
383.24146	23.3
400.14337	3.3
419.15063	5.2
580.19440	7.0
580.35162	15.1
581.19464	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.4
55.01867	8.7
55.05507	19.4
57.03436	23.4
59.04988	3.0
60.04525	4.6
61.02921	8.9
65.03936	3.7
67.05502	53.2
69.03426	24.9
69.07066	54.2
70.06595	4.3
71.04992	35.4
71.61726	3.5
72.08143	3.1
73.02908	8.6
73.06561	2.8
73.44949	2.4
79.05486	52.3
79.05898	4.2
81.03409	25.2
81.07053	58.9
83.04981	15.5
83.08620	10.8
84.08106	3.9
85.02896	38.9
85.06544	7.6
87.04475	3.7
91.03967	4.0
91.05471	44.9
93.07037	59.4
94.19238	2.2
95.04959	20.9
95.08603	34.0
95.09155	3.4
96.04461	2.9
97.02882	27.0
97.06525	100.0
97.10159	5.5
99.04451	7.8
99.08097	8.5
103.03895	2.8
103.05466	3.6
105.07011	32.6
107.04942	17.7
107.08582	27.7
109.02856	14.0
109.06510	25.8
109.10147	11.7
111.04479	4.1
111.08075	10.0
113.06020	5.3
115.07567	34.7
117.07018	17.9
119.04945	10.3
119.08555	20.7
121.06483	14.1
121.10123	17.2
123.04433	12.1
123.08083	8.5
123.11777	3.8
124.03892	2.8
125.05985	3.3
125.09631	4.9
127.03915	33.0
127.07501	4.2
128.04271	5.2
128.06296	2.6
129.05537	4.4
129.06987	10.7
131.04912	4.5
131.07054	5.7
131.08546	26.0
133.06477	8.2
133.10123	26.7
135.08057	15.7
135.11679	12.8
137.05972	6.9
137.09567	3.9
143.08588	8.3
145.02795	3.9
145.04970	6.0
145.06464	4.0
145.10115	18.0
147.04382	23.3
147.05342	2.4
147.08054	6.5
147.11636	12.4
148.04836	2.7
149.06026	4.7
149.09628	10.5
149.13261	14.7
151.03915	5.3
151.11151	3.0
153.01779	13.2
153.05511	5.2
157.10127	10.0
159.08040	3.3
159.11714	19.4
161.09622	7.7
161.13243	6.0
163.07547	3.5
163.11121	6.9
167.07045	56.5
168.07420	4.5
169.10046	3.3
171.02966	5.3
171.07985	3.1
171.11665	7.0
173.04433	6.5
173.09679	3.8
173.13234	2.6
175.03899	3.7
175.11229	6.4
175.14871	3.4
177.05507	9.1
177.09219	2.6
177.12729	20.1
179.10654	2.9
179.14204	3.2
181.10106	2.7
182.11755	8.2
183.02879	3.4
183.11778	4.9
184.07329	3.0
187.11148	2.7
187.14700	2.6
189.09380	2.3
189.11186	6.0
189.12730	3.2
189.16463	2.4
191.07031	3.0
191.14351	3.4
193.08582	5.1
193.12311	3.8
195.03024	3.5
195.13788	6.1
199.11157	3.4
199.14838	3.1
203.14404	2.8
205.12169	3.0
207.06459	4.6
207.13806	3.1
217.08598	2.8
217.15880	10.5
219.13770	2.5
219.43088	2.3
221.15356	4.4
227.12614	4.5
229.14363	3.6
233.15265	12.3
237.16397	3.4
245.18990	6.1
251.16454	3.3
255.15816	7.1
260.40561	2.6
262.14502	2.7
263.20001	3.6
269.17456	63.5
270.05154	3.1
271.06039	29.8
272.06320	37.4
273.07632	25.6
273.18460	40.9
284.06207	3.4
285.07449	11.5
286.07919	9.2
291.19586	18.0
295.06073	3.0
297.16934	9.1
301.07098	6.8
307.19073	4.9
313.07178	3.3
325.19940	4.6
335.99005	3.8
347.22183	19.8
349.06848	4.0
365.23209	47.2
383.24182	25.1
389.17896	2.9
434.11639	3.3
580.19629	3.7
580.34784	13.8
581.16321	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	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.4
55.01867	8.7
55.05507	19.4
57.03436	23.4
59.04988	3.0
60.04525	4.6
61.02921	8.9
65.03936	3.7
67.05502	53.2
69.03426	24.9
69.07066	54.2
70.06595	4.3
71.04992	35.4
71.61726	3.5
72.08143	3.1
73.02908	8.6
73.06561	2.8
73.44949	2.4
79.05486	52.3
79.05898	4.2
81.03409	25.2
81.07053	58.9
83.04981	15.5
83.08620	10.8
84.08106	3.9
85.02896	38.9
85.06544	7.6
87.04475	3.7
91.03967	4.0
91.05471	44.9
93.07037	59.4
94.19238	2.2
95.04959	20.9
95.08603	34.0
95.09155	3.4
96.04461	2.9
97.02882	27.0
97.06525	100.0
97.10159	5.5
99.04451	7.8
99.08097	8.5
103.03895	2.8
103.05466	3.6
105.07011	32.6
107.04942	17.7
107.08582	27.7
109.02856	14.0
109.06510	25.8
109.10147	11.7
111.04479	4.1
111.08075	10.0
113.06020	5.3
115.07567	34.7
117.07018	17.9
119.04945	10.3
119.08555	20.7
121.06483	14.1
121.10123	17.2
123.04433	12.1
123.08083	8.5
123.11777	3.8
124.03892	2.8
125.05985	3.3
125.09631	4.9
127.03915	33.0
127.07501	4.2
128.04271	5.2
128.06296	2.6
129.05537	4.4
129.06987	10.7
131.04912	4.5
131.07054	5.7
131.08546	26.0
133.06477	8.2
133.10123	26.7
135.08057	15.7
135.11679	12.8
137.05972	6.9
137.09567	3.9
143.08588	8.3
145.02795	3.9
145.04970	6.0
145.06464	4.0
145.10115	18.0
147.04382	23.3
147.05342	2.4
147.08054	6.5
147.11636	12.4
148.04836	2.7
149.06026	4.7
149.09628	10.5
149.13261	14.7
151.03915	5.3
151.11151	3.0
153.01779	13.2
153.05511	5.2
157.10127	10.0
159.08040	3.3
159.11714	19.4
161.09622	7.7
161.13243	6.0
163.07547	3.5
163.11121	6.9
167.07045	56.5
168.07420	4.5
169.10046	3.3
171.02966	5.3
171.07985	3.1
171.11665	7.0
173.04433	6.5
173.09679	3.8
173.13234	2.6
175.03899	3.7
175.11229	6.4
175.14871	3.4
177.05507	9.1
177.09219	2.6
177.12729	20.1
179.10654	2.9
179.14204	3.2
181.10106	2.7
182.11755	8.2
183.02879	3.4
183.11778	4.9
184.07329	3.0
187.11148	2.7
187.14700	2.6
189.09380	2.3
189.11186	6.0
189.12730	3.2
189.16463	2.4
191.07031	3.0
191.14351	3.4
193.08582	5.1
193.12311	3.8
195.03024	3.5
195.13788	6.1
199.11157	3.4
199.14838	3.1
203.14404	2.8
205.12169	3.0
207.06459	4.6
207.13806	3.1
217.08598	2.8
217.15880	10.5
219.13770	2.5
219.43088	2.3
221.15356	4.4
227.12614	4.5
229.14363	3.6
233.15265	12.3
237.16397	3.4
245.18990	6.1
251.16454	3.3
255.15816	7.1
260.40561	2.6
262.14502	2.7
263.20001	3.6
269.17456	63.5
270.05154	3.1
271.06039	29.8
272.06320	37.4
273.07632	25.6
273.18460	40.9
284.06207	3.4
285.07449	11.5
286.07919	9.2
291.19586	18.0
295.06073	3.0
297.16934	9.1
301.07098	6.8
307.19073	4.9
313.07178	3.3
325.19940	4.6
335.99005	3.8
347.22183	19.8
349.06848	4.0
365.23209	47.2
383.24182	25.1
389.17896	2.9
434.11639	3.3
580.19629	3.7
580.34784	13.8
581.16321	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	579.3887
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03937	5.9
55.01866	8.7
55.05257	2.2
55.05507	21.9
55.29340	1.4
57.03440	10.2
57.07051	3.5
65.03925	3.6
66.79550	1.8
67.05501	100.0
68.05809	2.1
69.03427	1.9
69.07066	20.3
69.58039	7.3
69.58476	8.5
71.04986	3.6
71.40137	1.7
79.05489	64.3
81.03403	8.9
81.07052	96.7
83.04976	24.0
83.08602	12.8
85.02882	3.1
85.06523	6.7
91.05470	39.7
92.37360	1.7
92.91812	1.6
93.07035	68.9
95.01282	1.9
95.04968	19.2
95.08601	65.2
97.06531	15.7
97.10157	6.2
98.21474	3.5
99.04451	4.1
105.07030	30.7
107.04944	30.4
107.08582	38.6
109.06521	6.7
109.10147	33.5
111.04442	23.1
111.08053	9.1
111.79052	1.7
115.05421	1.9
117.07006	16.7
119.08575	28.0
121.06501	6.4
121.10130	49.0
121.10999	2.5
123.04366	2.1
123.08080	3.1
123.11703	13.8
125.05995	4.3
125.09608	3.5
129.06966	6.5
130.07790	3.3
131.04910	4.1
131.08554	24.5
133.10107	16.1
135.08037	3.5
135.11678	39.3
137.09628	2.3
137.13220	6.4
137.19572	2.0
139.07571	1.9
139.11186	2.4
143.08505	5.3
145.06479	7.0
145.10123	39.2
147.08038	5.2
147.11664	12.8
149.09601	6.3
149.13275	10.8
151.11105	2.7
153.12718	10.5
155.08571	10.2
157.10172	2.7
159.11673	10.3
161.13217	5.8
163.11185	37.1
163.14828	4.5
169.10173	1.7
171.11609	2.4
173.09631	21.9
173.13251	7.1
175.14842	3.0
177.16371	1.9
181.12216	17.0
185.13232	2.8
187.14745	4.8
191.10670	28.2
191.52161	2.0
199.14732	2.0
201.16360	2.6
209.11673	8.3
218.62184	1.9
219.13911	2.2
227.12781	27.1
233.22510	2.1
241.19621	1.9
243.21091	6.3
259.20532	4.0
261.22171	25.8
265.14337	41.1
267.15854	2.9
271.06006	44.4
272.06390	3.8
277.21844	2.5
279.23276	9.0
283.15381	58.5
299.14871	4.2
301.16422	46.8
301.21509	2.3
317.24582	6.1
330.63910	2.0
335.25790	44.0
336.26065	2.1
337.27454	2.3
412.09711	1.9
423.32291	4.0
441.33740	1.8
451.31885	5.9
469.32880	7.8
487.33887	2.9
515.37549	11.9
525.35815	10.0
533.37964	2.3
543.36743	34.3
561.37964	28.6
562.38025	1.9
579.38574	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	579.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.9
55.05509	15.5
57.03434	9.7
57.07053	3.8
60.44144	2.5
65.03933	4.0
67.05499	94.2
69.07062	15.3
70.90954	5.6
70.91328	5.1
71.04991	4.5
73.57072	3.1
79.05484	56.4
81.03411	4.6
81.07050	80.8
82.15633	3.3
83.04963	13.8
83.08603	8.6
85.02876	3.5
85.06533	4.1
91.05471	42.0
93.07039	63.7
95.04958	13.1
95.08600	54.4
97.06531	11.6
97.10136	3.5
98.20764	2.7
98.36083	2.7
100.98626	2.6
103.05441	2.8
105.07020	27.6
107.04948	23.1
107.08588	36.9
107.84236	2.7
109.06502	4.4
109.10136	21.7
111.04450	17.9
111.08102	4.2
117.07008	16.6
119.04932	2.8
119.08569	22.9
121.06528	3.9
121.10126	34.4
123.11717	11.5
125.09667	3.3
128.06181	2.5
129.06990	4.9
131.04918	4.2
131.08554	26.8
133.10152	16.7
135.07913	3.0
135.11697	28.9
145.06494	5.6
145.10144	34.8
147.11667	8.3
149.09668	9.5
149.13232	5.5
153.12758	8.7
155.08554	5.9
159.11656	6.0
161.13217	4.0
163.11183	27.8
163.14760	3.7
171.11707	3.5
172.74599	2.4
173.09613	17.0
173.13245	6.5
175.14949	2.7
181.12230	11.9
185.13275	2.7
187.14822	4.1
191.10670	16.9
197.13158	3.4
199.72728	2.9
209.04454	2.8
209.11655	3.3
217.83649	2.6
227.12766	20.3
243.20998	6.4
261.22177	23.1
265.14359	18.8
267.16025	3.5
271.03021	5.8
271.05988	100.0
272.06290	5.7
279.23141	8.1
283.15347	46.8
301.16428	25.3
317.24612	10.1
335.25824	41.3
337.27020	3.6
383.44861	3.1
451.32352	3.1
469.33234	7.9
498.05200	3.0
515.37305	11.0
525.35437	8.3
543.36877	37.0
561.37659	32.8
579.38757	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	579.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47426	1.6
51.55944	1.9
53.03934	2.0
55.01871	4.9
55.05506	18.0
57.03422	9.7
57.07067	5.1
65.03927	2.2
65.35070	1.6
65.47070	1.5
67.05502	77.7
69.03423	5.1
69.07069	16.0
70.49177	7.0
71.04981	4.5
71.08627	2.2
73.02909	4.0
74.92831	1.7
79.05489	35.9
81.03414	8.9
81.07053	80.9
83.04969	4.0
83.08609	10.2
85.02883	3.9
85.06551	4.7
91.05476	20.4
93.07037	48.0
93.07622	2.6
95.04952	4.8
95.08603	70.5
97.02878	3.0
97.06525	2.4
97.10173	5.4
98.21482	1.8
98.98462	31.7
99.04441	2.8
99.08064	3.1
103.61728	1.6
105.07011	21.4
107.08595	35.1
109.02859	7.0
109.06542	1.8
109.10152	37.7
110.03665	3.3
111.04408	3.4
111.08086	3.7
113.09612	1.7
117.07000	9.0
119.04839	1.6
119.08581	16.5
121.10140	34.2
123.11693	21.3
125.09637	2.1
127.03907	3.3
127.11166	2.3
129.06985	1.9
131.08574	20.7
133.10117	17.1
135.11690	24.2
137.13246	9.4
139.11229	2.6
143.08575	3.6
145.10150	12.9
145.77159	1.7
147.11699	13.6
149.09665	2.0
149.13257	19.7
151.11186	1.9
151.14745	2.4
153.01828	2.1
155.01042	25.6
155.08559	2.1
157.10117	2.5
159.11694	13.5
161.13225	8.8
163.11140	2.1
163.14838	14.0
165.12793	3.5
169.10002	1.8
171.02985	1.5
171.11694	2.0
173.13252	16.1
175.14832	5.5
177.12727	1.7
177.16389	4.9
179.14328	3.2
187.14883	8.2
191.00058	4.0
201.16379	2.1
233.22661	3.9
243.21056	29.0
245.22719	3.5
261.22125	100.0
262.22388	1.8
263.23767	10.8
271.05997	73.5
272.06241	2.3
277.21588	2.2
279.23209	4.3
303.23325	1.7
317.06409	4.7
335.25766	23.5
337.27325	21.4
353.26880	85.7
377.26880	3.2
425.28751	1.8
451.21414	3.9
469.22546	3.1
478.72363	1.7
543.36603	3.0
561.27490	7.0
561.37439	2.0
579.38019	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	579.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01876	3.7
55.05504	11.6
57.03437	4.5
57.07083	4.6
60.87120	0.8
61.02917	1.1
65.03925	3.1
67.05499	58.4
69.03419	3.0
69.07059	11.3
71.04982	2.5
71.08622	2.2
71.35868	2.0
73.02911	3.7
75.04473	1.3
77.03931	0.8
79.05486	33.9
81.03416	5.6
81.07050	65.7
83.04968	0.8
83.08605	8.3
85.02895	4.3
85.06546	3.1
88.26354	0.9
91.05466	20.1
93.07035	49.0
95.04958	3.8
95.08598	56.0
97.02884	2.4
97.06525	3.7
97.10180	3.6
98.98466	12.9
99.04437	2.9
99.08053	2.2
105.07026	19.2
107.08588	33.2
109.02883	9.9
109.06523	1.6
109.10146	32.2
109.57337	0.8
110.03642	3.3
111.04440	3.6
111.08091	2.6
113.09663	1.5
117.07001	9.1
119.08563	16.6
121.10136	32.4
123.08086	1.6
123.11700	17.7
125.09608	1.9
127.03880	5.3
127.11181	0.9
129.06992	1.8
131.08559	20.2
132.99545	1.3
133.10118	13.3
135.11688	22.3
137.09607	3.0
137.13257	6.2
139.11148	1.6
143.08556	1.3
145.10117	17.0
147.08084	0.8
147.11674	11.8
149.02315	1.8
149.09538	0.8
149.13252	16.5
151.11171	2.2
151.14766	2.1
153.12692	1.6
155.01035	13.9
155.08516	1.1
157.10092	1.5
159.11685	15.0
161.13231	12.4
163.11157	1.7
163.14815	13.5
165.12729	2.4
165.16333	1.0
167.08521	1.0
169.10184	1.2
171.02988	0.8
171.11644	1.2
173.13254	14.7
175.14844	5.1
177.12698	1.1
177.16368	6.2
179.14313	3.1
185.13200	1.8
187.14801	8.5
189.16336	1.4
191.00105	2.6
191.14253	1.1
195.11705	1.2
201.16391	2.9
203.17793	0.9
205.15816	1.1
213.12529	0.8
233.22681	2.7
243.21066	31.7
245.22612	1.9
261.22122	100.0
262.22513	1.6
263.23685	6.3
271.03064	1.2
271.05994	26.3
277.21643	1.0
279.23233	3.1
283.06042	1.3
303.23242	1.6
313.06818	1.3
317.06396	1.9
317.24734	1.4
334.73611	0.8
335.25739	14.1
337.27332	12.2
353.26834	86.7
354.27039	1.6
369.24194	1.8
377.26923	2.5
389.27298	1.0
415.10568	1.1
428.44000	0.8
433.11270	1.6
433.20535	1.2
443.28101	1.9
451.21198	2.4
469.22339	1.5
487.23587	1.6
543.26367	1.4
561.27179	8.2
561.37048	2.3
579.28333	3.2
579.37555	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01854	0.8
55.05508	0.7
57.03429	0.4
58.06589	0.3
61.02914	0.4
64.44450	0.3
65.03938	1.0
66.04711	0.2
67.01849	0.2
67.05492	0.8
68.99783	0.2
69.03423	2.0
70.06574	0.5
70.88965	0.7
71.04967	0.8
72.08139	0.4
73.02916	0.4
77.03943	0.3
78.04707	1.7
79.05493	1.1
81.03399	1.3
82.03725	0.2
82.04191	0.6
83.04975	0.7
84.04468	0.3
84.08137	2.9
85.02909	4.1
85.08438	0.5
86.06062	0.7
86.09686	0.6
87.04456	0.7
91.05454	1.2
92.68437	0.2
93.03369	0.4
93.07020	0.3
94.41372	0.2
95.04987	1.3
96.05690	0.2
97.02866	1.8
97.06527	0.4
99.04438	0.6
101.06004	0.9
102.06403	0.2
103.05478	1.3
103.40245	0.2
105.07002	0.4
106.04167	1.0
107.04961	1.4
108.02055	0.3
109.02859	0.9
109.06505	0.2
110.03676	0.5
111.04452	0.6
115.05443	3.0
117.07016	5.6
119.04973	0.3
119.08566	0.3
120.08086	0.3
121.02844	0.6
121.06512	0.2
123.04424	6.9
123.08029	0.2
124.05274	1.8
125.06019	0.4
127.03921	3.1
127.05444	0.6
128.04259	0.6
128.08141	0.3
128.10704	0.8
129.04439	0.4
129.05453	0.3
131.04906	0.3
133.06482	0.2
134.03642	0.3
135.04364	0.3
137.02396	0.3
137.05969	0.6
138.03093	0.3
139.03888	0.3
140.58565	0.2
142.02609	0.3
143.04906	0.5
145.06476	10.3
146.11700	0.4
147.04398	0.9
147.07889	0.6
149.02399	0.3
149.05927	0.3
151.03932	1.3
152.04692	1.5
153.05434	0.4
155.06042	2.0
159.04372	0.3
161.05954	0.4
167.07033	100.0
168.07370	1.0
171.06523	1.5
173.05975	19.5
175.07558	0.4
179.03401	0.8
181.04948	22.0
187.04036	0.2
189.05486	0.3
191.07016	0.6
201.05507	0.9
203.07091	0.3
205.08580	4.0
207.10239	0.2
221.12906	0.3
233.08080	5.3
235.09636	3.9
253.15981	0.7
271.05981	2.1
272.06308	1.2
272.14978	0.3
285.07544	0.5
289.07074	0.4
290.07486	0.5
290.15991	1.4
291.16422	1.2
295.06091	0.5
296.06583	0.4
297.06989	0.4
301.07010	1.0
306.58502	0.3
323.05350	0.3
324.06076	0.3
325.06494	0.6
326.07260	0.3
337.06845	0.3
351.08017	0.3
353.06424	0.4
354.06607	0.2
355.07260	0.2
387.14368	13.4
388.14734	0.3
409.08231	0.5
417.15430	8.9
453.24008	0.2
459.11713	0.4
483.12491	0.5
513.12439	0.5
525.13306	0.3
543.13672	0.3
561.14764	0.4
579.20728	57.7
580.20941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30901	0.3
55.01855	1.2
57.03413	0.3
65.03922	0.6
67.05502	4.2
68.99791	3.2
69.07047	0.5
71.05004	0.6
71.63921	0.5
72.08118	0.5
75.68430	0.3
79.05476	1.5
81.03408	0.8
81.07047	4.1
85.02869	0.6
91.05474	1.7
93.07018	2.1
95.04962	6.2
95.08569	0.5
96.31707	0.4
103.05460	1.4
105.07003	1.1
107.04947	2.7
107.08593	0.5
111.89983	0.3
117.07011	0.4
119.04890	0.7
119.08574	0.6
121.06494	4.3
121.10158	0.4
122.06779	0.3
123.04418	100.0
124.04758	1.6
129.07018	0.7
131.04947	0.5
133.10136	0.6
135.04393	1.4
136.05205	0.9
137.05972	0.7
143.08594	0.5
147.04420	1.8
147.11807	0.4
149.05971	15.5
153.01823	1.1
153.05504	0.4
157.06503	0.7
165.07071	0.6
171.08049	0.8
186.06760	0.8
187.07513	1.0
188.08379	0.6
198.06718	0.6
199.07472	2.0
209.09595	0.4
211.07564	0.9
217.10188	0.4
221.09512	0.5
231.07953	0.6
232.08841	0.7
233.09648	1.3
235.07581	0.5
237.09178	0.7
245.09581	0.5
247.11166	0.7
248.08255	0.6
249.09059	0.6
260.08383	0.5
261.09280	1.4
262.10159	0.4
263.07062	0.8
264.07867	1.6
265.08575	0.7
271.05988	10.0
272.05994	0.4
272.08636	0.4
275.07129	0.3
275.10779	1.4
276.07877	0.7
277.08505	4.0
279.06851	0.4
279.10187	2.5
283.06070	0.5
284.06650	0.7
288.07782	0.6
289.08432	2.5
290.09375	1.1
291.06873	0.8
291.10236	2.8
292.07333	1.9
293.08142	0.9
293.11517	0.6
303.10184	2.1
304.10709	0.4
305.08090	3.6
305.11411	0.8
306.08929	2.3
307.09610	8.9
313.07245	1.0
317.11594	0.4
318.08746	0.8
319.09653	1.8
321.11218	4.2
322.11816	0.5
333.11331	1.4
335.12943	0.4
347.12692	0.5
397.09570	0.4
399.12134	0.5
413.13937	2.0
415.10455	0.7
415.15710	0.5
425.13959	1.8
427.15567	1.7
428.12552	3.0
429.13449	0.9
433.11603	1.0
439.15399	0.5
441.13327	11.9
443.14865	35.2
444.15268	0.9
445.16592	1.0
451.15869	0.6
455.14828	10.3
456.15515	0.6
457.16476	4.1
469.16458	1.5
579.20032	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	579.1705
Annotation	7,4'-Dihydroxy-6-methoxyisoflavone 7-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.35019	0.1
69.03413	0.2
70.06569	0.1
71.62004	0.3
72.08128	0.5
81.03427	0.1
81.13078	0.1
84.08139	0.2
85.02885	0.3
86.09686	0.1
86.93077	0.1
87.04449	0.2
91.05450	0.2
95.04985	0.2
97.02855	0.2
98.09709	0.1
103.03934	0.1
105.07061	0.2
107.04925	0.3
109.02865	0.2
118.04121	1.4
119.04913	0.3
119.08571	0.4
121.02865	0.2
123.04445	0.3
123.08049	0.1
124.01575	0.3
127.03899	0.7
128.04196	0.2
133.10051	0.2
135.04329	0.2
140.07010	0.1
147.04407	0.9
147.11639	0.1
148.04910	0.1
152.01038	0.4
153.01830	2.0
154.08578	0.1
163.03859	0.3
167.06993	0.6
170.02104	1.2
175.14807	0.6
176.15092	0.3
181.04976	0.2
182.08107	0.2
201.35901	0.1
211.82906	0.1
213.05530	0.1
229.08572	0.3
242.05739	0.5
269.01483	0.2
269.04428	5.3
270.05219	20.5
271.05707	0.2
285.07556	100.0
286.07764	0.6
326.12442	0.2
385.64920	0.4
447.12915	0.3
579.16071	0.8
579.33917	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	579.1705
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
50.22252	0.1
51.34425	0.1
57.03419	0.6
59.05001	0.2
64.24741	0.2
69.03419	1.6
69.48222	0.4
69.48633	1.2
81.07059	0.2
82.42384	0.2
85.02902	1.4
87.04454	1.1
93.56192	0.1
97.02884	1.2
98.21551	0.3
107.04952	0.3
109.02868	0.2
115.03928	1.1
118.04130	0.5
119.04929	0.4
123.04431	1.5
124.01571	0.4
127.03909	0.5
133.04958	1.0
133.06471	0.4
147.04338	0.5
149.02335	1.8
152.01042	0.8
153.01782	1.1
158.03603	0.3
167.06978	0.3
170.02115	2.6
177.05266	0.2
179.03384	0.4
197.06012	0.3
197.82153	0.2
207.06509	0.3
213.05446	0.7
229.08577	2.9
242.05733	1.7
253.04956	1.9
257.08157	0.3
269.04367	1.2
270.05200	4.4
271.06027	1.9
285.07547	100.0
286.07813	0.6
297.07465	0.2
313.07047	0.3
327.08621	0.5
381.09641	0.2
399.13736	0.2
417.11783	0.3
433.11063	0.2
447.12854	8.2
473.82718	0.2
579.20227	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	579.1702
Annotation	vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
53.03923	0.5
54.36174	0.4
55.05507	0.9
57.03418	1.5
59.04981	0.5
61.02915	0.5
69.03432	2.7
70.06615	0.3
70.46718	0.4
71.04987	10.3
71.29289	0.7
72.08149	0.8
73.02877	0.5
73.52493	0.4
74.44711	0.3
75.04468	0.7
81.03368	0.8
84.08130	1.2
85.02895	12.0
85.03419	0.6
87.04454	0.6
91.05471	0.9
93.06970	0.4
97.02874	0.6
100.11226	0.8
101.06005	0.4
107.04979	0.6
109.02859	0.9
110.29160	0.3
111.04430	0.5
115.92100	0.4
117.07022	0.4
119.04903	1.9
119.08572	0.4
121.02856	6.0
123.04403	1.1
126.10280	1.4
127.03058	0.4
127.03887	2.3
128.04227	0.7
128.10686	0.9
129.04526	0.4
129.05449	2.3
135.04445	0.4
145.02806	1.4
145.06482	0.8
147.04398	1.6
149.02335	1.4
153.01804	4.3
156.96895	0.4
163.03902	0.8
165.01848	0.9
167.03314	0.4
167.07019	7.1
169.06427	0.5
173.05984	1.7
177.01837	0.4
179.03328	0.3
181.04898	2.0
183.02878	1.0
189.01794	1.0
191.03380	0.9
195.02863	1.1
196.16400	0.4
197.06004	0.7
201.05379	0.6
203.03360	0.8
205.04964	0.5
207.02852	1.2
213.05490	0.8
215.07007	3.3
217.04872	1.0
219.03006	0.8
225.05464	0.7
229.05023	0.5
233.04457	0.7
243.06480	3.3
246.14949	0.4
253.04927	1.0
255.06401	0.7
256.07080	0.5
261.03967	0.5
267.06485	1.2
268.07166	0.4
270.05280	0.7
271.05981	100.0
272.06284	0.6
279.06326	0.9
281.08047	1.5
283.06006	17.3
284.06793	4.7
293.08057	0.5
294.05167	2.5
295.05988	10.0
295.09280	0.9
296.06775	1.2
297.07513	4.0
301.07266	0.9
305.07892	0.7
307.05963	6.5
308.06927	2.1
309.04034	0.7
309.07449	4.7
311.05560	0.5
313.07019	18.8
319.05969	0.8
320.06641	0.5
321.07547	4.2
322.08392	0.9
323.05627	0.6
323.09000	3.7
325.07050	12.7
325.10928	0.6
333.07523	1.2
335.05432	0.7
335.09106	1.4
337.07031	13.1
337.11057	0.8
339.08405	0.7
343.08005	0.8
347.05334	0.5
347.09155	2.0
349.07074	4.1
351.08597	3.5
355.08044	3.1
361.06857	1.9
363.08600	0.5
365.10086	1.1
367.08121	5.5
373.06744	0.5
375.08612	2.6
379.08142	8.1
387.14307	0.6
389.10172	0.5
391.08075	2.4
393.09744	4.0
397.09164	4.2
403.08112	3.0
405.09720	1.1
409.09174	3.1
411.10690	4.3
415.10260	7.7
421.09003	2.8
423.10626	0.6
429.11676	0.9
433.11282	33.9
439.10269	2.4
441.11890	2.3
447.10672	1.5
453.34274	2.0
454.34470	0.5
457.11218	7.2
459.12967	2.8
464.77536	0.4
465.11829	2.7
483.12769	4.5
489.11591	0.9
495.12817	3.0
507.12939	2.5
513.13776	2.1
525.13831	3.6
532.67725	0.4
543.14905	3.9
561.15570	2.9
579.17963	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	579.1698
Annotation	vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
52.30720	0.8
55.05497	0.9
57.03417	3.1
59.62684	0.7
69.67374	6.5
71.04987	21.4
79.01854	0.9
81.03397	1.1
85.02898	22.5
111.04395	1.3
119.04918	1.5
121.02852	8.3
129.05447	2.9
141.01863	0.8
145.02881	1.6
165.01801	4.3
167.03392	1.8
177.01779	1.0
183.02858	2.5
184.53076	0.8
187.03920	0.9
188.83200	0.8
195.02853	2.1
217.04964	0.9
255.06364	1.3
256.07251	2.1
259.06082	0.9
261.03784	1.3
267.06461	6.5
270.05161	1.7
271.06021	7.2
281.08112	5.3
283.05981	88.2
284.06754	16.5
285.07608	1.2
295.02899	1.0
295.06033	13.8
295.09320	1.7
297.07532	7.6
305.07993	1.4
307.05804	1.1
308.06760	2.4
309.04071	1.8
309.07520	19.3
311.05508	1.7
313.07031	100.0
321.07358	1.4
323.05524	1.8
323.09082	16.9
325.07056	2.3
333.07590	2.3
337.07004	31.6
343.08176	3.7
349.07019	8.1
351.08539	5.7
361.06973	7.5
367.08078	16.4
379.08038	14.8
397.09131	18.3
415.04807	1.5
415.10223	27.0
433.11261	62.4
579.17004	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	579.1703
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
57.03413	0.1
57.53661	0.0
65.03922	0.0
67.01852	0.4
68.99760	0.3
69.03413	0.1
70.27766	0.2
71.04982	0.6
73.02898	0.1
75.04449	0.1
83.04972	0.1
85.02898	1.1
91.05457	0.3
97.02869	0.1
105.59673	0.0
111.00767	0.1
111.04439	0.1
119.04932	1.6
121.02847	0.6
127.03887	0.1
129.01836	0.1
129.05467	0.2
141.06953	0.1
145.02827	0.7
147.06477	0.0
153.01810	3.9
153.32365	0.0
163.03877	0.3
171.02888	0.8
187.03879	0.2
197.06050	0.1
203.07011	0.2
211.03848	0.1
215.06999	0.0
225.05411	0.3
229.04933	0.3
234.90634	0.0
243.06433	0.3
247.06024	0.2
253.04861	0.1
270.04831	0.1
271.05975	100.0
272.06268	0.8
313.07147	0.1
433.11270	0.4
579.16736	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	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
65.03934	0.7
69.03421	1.3
71.04988	0.8
81.03410	2.6
82.25640	0.2
84.95409	0.2
85.02899	6.2
91.05473	6.5
94.18137	0.2
97.02882	11.2
99.03825	0.4
99.04447	5.9
103.03931	8.6
109.02863	3.7
119.03693	0.3
119.04933	20.3
127.03905	54.5
128.04236	0.3
145.04945	5.9
147.04396	100.0
148.04727	0.3
153.01816	0.5
163.06009	0.8
165.05455	4.0
167.07042	0.3
229.08620	0.3
253.07059	0.3
255.06607	0.4
271.05887	6.7
273.07315	0.3
291.08630	3.9
301.07001	0.4
309.09711	2.2
313.06845	0.5
337.07184	0.3
351.10971	1.0
394.84808	0.2
417.11456	0.2
433.11227	0.4
435.12366	0.3
453.07874	0.4
453.13885	6.2
474.62234	0.2
579.19513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1701
Annotation	Rhoifolin
Peak:m/z	Relative Intensity
53.03932	1.0
55.01871	0.9
55.05496	1.3
55.94240	0.3
56.05056	0.4
57.03430	7.1
59.04997	0.6
61.01136	0.4
61.02922	0.6
65.03953	0.6
67.05502	0.7
67.84421	0.4
68.99799	0.8
69.03416	1.3
70.06579	1.0
71.04986	44.7
71.62363	0.5
72.08146	1.6
73.02907	1.2
74.06046	0.3
75.04475	1.3
81.03404	1.4
81.07033	0.5
83.01321	0.3
83.04983	2.0
84.08137	3.0
85.02895	49.5
85.06569	0.4
86.06036	0.4
86.09692	0.6
87.04461	1.4
91.05468	1.1
93.07013	0.6
95.04957	0.9
95.08591	0.5
97.02875	2.1
98.09677	0.4
99.04442	1.5
101.06031	0.8
103.03967	0.6
105.07034	0.5
107.05003	0.4
109.02856	2.3
109.10101	0.4
111.04428	1.6
119.04914	3.1
119.08542	0.4
121.02843	6.0
121.06480	0.4
121.10120	0.6
123.04401	1.3
127.03912	5.9
128.04248	1.0
128.10716	0.8
129.04485	0.8
129.05450	8.4
133.02838	0.4
133.06282	0.3
133.10185	0.6
135.04414	1.0
135.08095	0.5
135.11642	0.4
137.05951	0.7
139.03784	0.3
141.01778	0.6
145.02809	2.3
145.04904	0.7
145.06516	0.4
146.11751	0.6
147.04385	5.3
147.06517	1.2
148.04770	0.6
149.02350	1.1
151.03938	0.4
153.01848	1.3
159.11746	0.4
161.05951	0.4
163.03857	2.8
165.01817	5.5
167.03398	3.0
167.07027	2.9
175.03952	0.5
177.01819	1.0
177.05475	0.7
179.03519	0.8
181.04962	1.5
182.05243	0.5
183.02866	4.6
187.03882	0.9
191.03400	1.4
195.02922	2.0
195.04376	0.3
205.04951	1.2
207.06415	0.4
209.04379	0.5
229.04897	1.3
233.04407	0.8
236.12885	0.6
237.12895	0.5
239.07047	1.2
241.08331	0.4
243.02777	0.8
255.06491	0.9
256.07285	0.6
261.03888	1.2
267.06494	9.5
270.05258	3.6
271.05978	22.8
277.08313	0.4
279.06516	1.0
281.08069	8.5
282.67636	0.4
283.05978	95.7
284.06729	10.2
285.07574	1.3
290.16080	0.5
293.07813	0.6
294.05316	0.4
295.06055	12.5
295.09586	2.3
296.06702	0.4
297.04120	0.7
297.07568	3.6
305.08069	2.5
307.06088	2.2
308.06784	2.1
309.04065	1.4
309.07504	24.3
310.08109	0.5
311.05347	1.3
313.07016	100.0
314.07419	1.1
321.07458	2.4
323.05594	0.9
323.09061	15.8
324.06165	0.8
325.07065	1.4
333.07590	3.3
335.05438	0.7
337.07010	45.5
339.08533	1.9
349.07022	11.9
351.08557	3.3
361.07031	10.3
367.08081	30.4
379.08081	19.4
385.09015	0.8
397.09143	23.8
415.10187	53.7
416.10495	0.6
417.11743	1.6
433.11270	61.2
434.11157	0.7
459.12518	0.5
561.15576	0.4
579.15881	1.2
579.23663	3.6
579.33722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01868	0.5
55.05508	5.4
56.05015	0.3
57.03425	1.0
57.20525	0.3
58.06590	1.6
59.04993	0.8
67.05484	1.0
68.99786	1.1
69.03426	3.2
70.06593	3.3
70.87242	0.8
70.87593	0.5
71.04986	0.6
73.02916	1.6
81.03396	2.3
83.04974	3.1
84.08138	27.3
85.02901	5.9
85.06514	0.8
86.06066	1.2
86.09732	0.4
87.04462	1.7
89.05977	0.4
91.05458	0.7
95.04963	1.6
97.02459	0.3
97.02895	2.8
97.06470	0.4
98.09715	0.8
99.04465	2.3
99.09959	0.3
100.11246	1.6
101.06013	13.1
103.03948	0.6
104.72964	0.4
107.04990	0.9
109.02863	2.5
111.04459	2.2
114.09127	1.5
119.04974	0.6
121.02853	1.3
123.00790	1.0
123.04423	43.3
124.09186	0.3
127.03905	15.8
128.04265	3.3
128.10712	13.2
132.10284	0.4
135.04436	1.9
137.02390	0.4
139.03926	2.7
145.04950	1.4
145.06383	0.3
146.09222	0.4
146.11752	9.1
147.04427	1.1
149.02296	0.6
149.06023	0.5
151.03903	6.9
153.01816	2.0
159.04413	0.4
163.03841	1.9
163.07594	0.4
167.03381	3.5
173.06027	1.0
175.03874	0.4
175.07539	0.6
177.05510	0.5
179.03389	13.4
187.03905	3.7
188.12654	0.6
197.06044	0.7
201.05457	4.8
203.07031	0.7
207.02936	0.5
215.06979	2.2
225.05380	0.7
229.04982	3.7
230.13992	0.9
243.06560	1.8
245.04428	0.6
248.14986	0.4
253.04985	0.7
254.13953	0.8
261.07666	1.1
271.06000	41.4
272.08701	0.4
272.14880	3.5
276.14307	0.4
283.06113	0.5
289.07034	9.1
290.15979	17.3
294.04935	0.3
295.05881	1.8
296.06418	0.8
307.06070	0.7
308.06491	0.5
308.14578	0.6
309.04007	0.4
309.07462	0.5
310.08170	0.4
313.07068	0.4
321.07712	0.5
322.08011	0.6
324.05792	0.5
325.06992	0.9
326.07401	1.0
337.06982	1.6
338.07593	0.6
349.07333	0.5
350.07703	0.3
351.08688	0.5
354.07092	0.7
361.07285	0.5
366.10452	0.6
379.08264	0.5
380.08801	0.3
392.08511	0.4
410.09473	0.8
416.13980	0.3
422.09021	0.4
423.10748	0.5
428.10889	0.8
433.11121	0.5
440.10550	0.7
441.11646	0.9
458.11624	0.8
482.11597	0.6
494.11563	0.5
498.11731	0.3
512.12964	0.4
525.14056	0.9
542.13715	1.2
560.13910	0.6
560.21362	5.1
578.22235	100.0
579.22754	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	578.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01860	1.2
55.05509	7.7
56.05038	0.6
57.03435	2.1
58.06595	3.3
59.04992	1.6
61.02923	0.7
64.53494	0.3
65.03939	0.6
67.05489	1.6
68.99770	0.8
69.03066	0.6
69.03420	7.7
70.06586	1.4
71.04987	3.4
71.63231	0.5
71.63624	0.8
72.08150	0.4
73.02916	2.7
74.06079	0.7
79.05481	1.1
81.03413	5.6
81.07036	0.8
81.15269	0.4
82.03750	0.7
83.04971	5.0
84.08136	47.2
84.99822	0.4
85.02897	17.1
85.06539	1.8
85.08450	0.4
86.03233	0.9
86.06062	1.9
86.09684	1.9
87.04456	2.5
91.05463	1.6
95.04967	1.3
95.08590	0.7
97.02882	5.3
97.06471	0.5
98.03223	0.6
98.09686	0.9
99.04443	5.6
100.04790	1.4
100.11245	2.8
101.06007	16.2
103.03928	2.6
103.05441	0.6
105.07014	0.6
107.04964	1.6
107.08633	0.7
109.02866	7.1
109.06539	0.5
110.03204	1.5
111.04463	2.0
117.07002	0.7
119.04942	1.0
119.08584	0.8
121.02872	1.4
121.10128	0.7
123.04412	7.9
127.03907	49.6
128.04240	13.1
128.08167	0.7
128.10707	20.3
129.05492	0.8
133.10139	0.7
135.04407	2.6
135.08115	0.5
137.05975	0.7
139.03880	1.3
145.04962	3.7
145.06487	1.4
146.05310	0.7
146.11752	9.7
147.04379	1.3
149.02359	0.5
149.06013	0.8
151.03893	4.9
151.07497	0.5
152.07051	0.6
153.01840	2.7
153.05489	0.6
161.05980	0.7
162.05496	7.6
163.03891	3.5
165.01869	0.9
165.05504	0.9
165.06851	0.5
167.07039	8.7
169.05013	0.7
173.06001	1.3
173.13249	0.4
175.03943	1.0
175.07458	0.4
177.05482	1.0
179.03378	7.3
179.04860	0.5
179.07025	0.4
181.04944	1.9
183.02942	0.5
187.03931	0.8
187.06004	1.0
188.12823	1.0
189.01872	0.5
190.04982	4.7
191.03448	0.7
191.14279	0.6
195.02869	0.4
201.05518	1.2
203.07080	0.6
205.06992	0.4
207.02829	0.6
209.15424	0.6
211.09624	0.7
215.07126	1.2
219.02870	1.4
229.05139	0.7
230.13931	1.3
233.07970	0.6
243.06570	1.1
248.14978	0.6
253.06993	0.5
254.13899	1.0
255.06578	0.5
261.03989	0.7
261.07748	0.6
267.06421	0.5
269.04449	0.6
271.05920	15.3
272.08539	1.3
272.14996	2.5
283.06009	2.1
284.06677	1.2
289.07013	6.0
290.15976	12.5
295.06036	1.4
296.06381	1.2
297.07489	0.9
301.07120	0.7
301.10681	0.8
307.05933	0.7
308.06448	0.8
309.07483	0.9
313.06940	4.1
316.08209	2.0
321.07413	0.6
323.08795	1.0
325.07068	1.1
326.07425	1.0
331.08142	0.7
334.09143	1.5
337.07111	1.0
339.08530	0.6
349.07025	0.6
352.10028	0.9
354.06918	1.4
355.08014	0.9
367.07767	0.8
372.16183	0.4
379.07935	0.5
381.09457	0.4
387.14429	1.2
397.09338	1.2
399.10797	0.5
403.40720	0.4
415.10294	0.8
417.11197	0.7
422.09274	0.4
433.11362	3.3
440.10455	1.2
453.10516	0.5
458.11429	0.9
482.11563	0.6
524.12067	0.4
542.13562	0.8
560.20544	2.7
570.31390	0.4
578.22253	100.0
579.21539	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	577.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87654	2.3
52.44531	2.3
53.03942	6.3
53.92810	2.0
55.01863	4.9
55.05507	37.7
57.03432	15.4
57.07071	3.2
57.14867	2.0
59.04997	3.4
65.03945	4.9
67.05502	91.7
69.03416	6.7
69.07058	26.1
70.25440	3.4
70.25848	8.5
71.04989	18.2
79.05485	63.0
81.03417	25.3
81.07053	100.0
83.04971	10.6
83.08598	22.7
85.06551	11.4
91.05471	55.1
93.07043	76.0
95.04969	21.3
95.08601	67.1
97.06541	12.3
97.10146	23.3
99.08104	2.7
105.07024	55.3
107.04934	3.7
107.08588	46.1
109.06496	8.2
109.10152	36.6
111.08075	6.6
115.05489	2.5
117.07004	19.5
119.08582	43.2
121.06510	4.8
121.10140	38.2
123.08065	6.4
123.11697	12.2
125.09628	14.6
129.06969	18.2
131.08565	38.4
133.10124	32.4
135.08076	5.5
135.11676	18.8
137.09645	4.5
137.13264	2.7
139.11201	4.7
141.06937	3.5
142.07742	3.6
143.08522	12.1
145.10126	28.6
147.08076	2.2
147.11674	25.9
149.09634	7.9
149.13240	9.8
153.09117	2.4
155.08546	8.7
155.94113	2.2
157.10101	16.0
159.11665	20.2
161.09686	3.3
161.13229	12.9
163.11157	3.2
163.14821	4.3
165.12778	2.5
169.10149	8.8
171.11659	13.9
173.09645	3.1
173.13226	16.7
175.11137	5.6
175.14824	7.6
181.10127	3.9
183.11743	8.0
185.13223	11.1
187.14819	6.2
189.11177	6.1
189.12646	3.1
193.12209	10.2
195.11763	3.9
195.13741	2.5
197.13194	6.4
199.13235	3.0
199.14818	6.8
201.16454	3.6
211.14844	5.0
213.16476	3.9
227.12769	18.2
239.16481	6.7
243.21188	4.7
244.84996	2.3
259.20541	4.3
261.22156	9.2
267.15866	29.7
271.20490	3.2
279.23105	3.0
285.22165	8.8
287.20099	3.6
287.23590	4.2
289.21622	6.0
299.23633	5.5
301.20401	3.2
301.21918	2.7
301.25113	16.3
303.23184	6.9
323.23727	3.8
335.25943	15.6
359.25833	4.2
363.25195	6.9
417.31409	5.7
435.27325	4.2
435.32574	24.3
453.33667	22.2
471.34586	9.4
473.33923	2.7
491.34927	3.6
509.36230	10.9
527.37286	94.6
528.37384	3.0
536.74438	2.5
545.38324	75.1
559.39966	16.2
577.41254	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	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01858	15.4
55.05509	29.3
57.03441	18.9
57.03690	4.5
57.07064	3.2
59.04982	3.3
65.03917	5.6
65.41106	2.9
67.05162	5.7
67.05502	91.4
69.07065	20.0
70.24992	10.2
71.04989	9.1
73.02898	3.5
75.26519	3.1
77.03925	3.4
78.69301	2.9
79.05488	89.6
81.03416	12.9
81.07053	86.6
83.04983	30.8
83.08603	15.1
84.20127	3.1
85.02895	5.4
85.06528	9.7
91.05470	93.1
93.07042	100.0
95.01330	3.4
95.04956	23.4
95.08605	52.6
97.02876	5.6
97.06524	16.1
99.04455	5.9
103.05454	3.3
105.07028	84.1
107.04951	46.6
107.08587	56.1
109.06519	11.5
109.10152	21.6
111.04453	35.8
111.08098	15.5
115.05428	5.5
117.07007	30.0
119.08570	79.9
121.06554	7.1
121.10144	64.5
123.04411	16.8
123.08027	7.1
123.11686	5.2
125.09612	4.1
127.03885	5.0
128.06175	3.3
129.06995	17.5
130.07787	6.2
131.04922	12.4
131.08556	41.7
133.10129	59.4
135.08023	6.3
135.11681	49.6
137.06003	4.5
143.08560	12.7
145.06456	9.0
145.10124	67.7
147.04373	3.6
147.08034	5.4
147.11678	47.2
149.09650	8.8
149.13237	13.8
153.12704	21.6
155.08525	13.5
157.10115	17.1
159.11655	19.2
161.05949	6.6
161.13266	44.4
163.11191	54.6
163.14793	5.0
167.07065	5.1
169.10101	3.6
171.11740	16.3
173.09634	26.0
173.13257	17.6
175.11197	4.3
175.14833	21.7
181.12259	26.0
183.11670	4.8
185.13246	16.1
187.14767	7.9
191.10658	30.8
199.14886	5.6
207.06447	3.1
209.11729	8.8
213.16394	4.5
222.01678	4.1
227.12788	37.2
231.21103	8.4
241.19479	41.2
255.10118	26.8
257.18939	9.7
259.20535	78.5
265.14471	24.5
267.15805	4.5
275.20114	5.9
277.21555	10.3
283.15408	63.4
297.87314	3.2
299.14856	4.5
301.16391	72.9
301.19571	5.2
315.23126	8.0
333.24252	58.0
335.25815	4.9
349.23734	3.8
351.25287	5.8
421.31143	5.3
431.29749	4.2
446.14746	4.2
449.30655	6.9
467.31564	7.3
513.35577	13.5
523.34381	10.2
541.35278	34.0
559.36157	36.5
577.37012	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	577.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01866	1.0
55.05498	0.9
57.03418	0.5
65.03913	0.7
67.05498	3.3
69.07075	1.1
69.97031	2.6
79.05475	2.5
81.03437	1.0
81.07054	2.4
83.04976	0.4
88.22294	0.4
91.05451	2.7
93.07034	1.7
95.04970	3.9
95.08610	1.3
97.06533	0.6
97.10133	0.4
98.20831	0.8
103.05459	2.4
105.07023	5.2
107.04949	16.5
107.08566	1.6
109.06485	0.8
109.10146	1.0
111.04435	0.6
117.06996	0.9
119.04963	0.9
119.08574	1.3
121.06502	2.7
121.10132	1.2
123.04424	53.0
124.04778	0.5
125.06001	0.8
127.03886	1.2
131.04924	45.7
131.08578	0.9
133.06477	3.3
133.10104	1.2
135.04440	0.8
135.11679	0.6
137.05971	11.7
143.08546	0.6
145.06529	2.1
145.10107	1.2
147.04390	5.1
147.11607	1.1
149.05974	2.5
149.09525	0.4
151.07571	0.7
155.08556	0.7
157.09981	0.6
161.05983	12.2
162.06731	0.9
163.11151	0.5
165.06956	0.4
167.07057	1.4
167.08560	1.2
169.06363	0.5
171.08034	0.5
173.13249	0.5
177.07025	0.6
181.06473	0.6
185.09578	0.6
194.07285	0.9
195.08025	4.1
197.06001	0.7
197.09547	0.6
199.07710	0.7
201.08974	0.6
201.52403	0.4
209.09634	0.6
211.07591	0.7
212.08302	1.7
213.09187	2.1
215.10712	1.5
222.06816	0.6
223.07574	2.2
224.08289	3.0
225.09077	0.5
227.10677	4.6
227.12708	0.8
237.09052	0.9
239.06924	0.8
240.07803	4.7
241.19598	0.5
243.09984	0.5
253.08549	1.3
255.10159	100.0
256.10461	1.0
269.08105	1.1
283.15497	0.5
307.13364	0.6
309.11209	0.6
319.13358	0.8
321.14798	1.3
323.12698	0.8
335.12927	0.7
347.12915	0.7
361.10474	0.7
387.12241	3.2
391.11624	1.0
441.17062	2.7
443.18585	0.5
453.16995	1.1
471.18082	4.1
483.17996	0.6
513.17590	0.5
541.35120	0.4
559.36011	1.3
577.22400	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59620	0.3
53.03924	0.6
55.01871	0.8
55.05503	1.3
57.03431	0.5
65.03944	0.7
67.05499	4.0
67.11557	0.3
68.99769	0.4
69.07057	0.9
71.35553	0.7
71.35883	0.4
79.05476	2.1
81.03404	0.8
81.07053	2.9
83.08615	0.7
86.09703	0.4
91.05461	2.2
93.07036	2.1
95.04957	3.4
95.08607	2.2
97.10155	0.4
98.98452	2.1
103.05428	2.1
105.07030	4.5
107.04951	14.2
107.08573	1.3
109.10137	0.7
112.78889	0.3
117.06976	0.8
119.04961	0.8
119.08562	0.7
121.06487	1.9
121.10114	1.3
123.04418	45.7
125.05992	0.7
131.04916	46.2
132.05661	0.5
133.06483	3.4
133.10132	0.8
135.04350	0.4
135.11688	0.6
137.05971	13.2
143.08542	0.6
145.06485	1.7
145.10101	0.5
147.04402	4.2
147.11636	0.4
149.02338	1.3
149.06003	1.6
149.13182	0.4
152.06271	0.5
155.00966	1.8
157.06497	0.4
159.07970	0.3
159.11703	0.8
161.05968	14.6
162.06754	0.8
163.07483	0.4
167.08530	1.5
171.08080	1.2
177.06947	0.7
179.08606	0.4
181.06442	0.7
185.09590	1.0
189.09067	0.4
193.04987	0.7
194.07248	0.8
195.08028	3.4
197.05933	1.0
197.09567	0.4
199.07527	0.7
201.09142	0.6
209.09735	0.7
211.07425	0.5
212.08282	1.6
213.09084	1.6
215.10710	1.3
222.06703	0.6
223.07483	2.2
224.08353	2.0
225.05470	0.5
226.06200	0.5
227.10648	4.5
237.09059	0.8
239.06932	0.6
240.07764	4.4
243.10126	0.4
243.21072	0.7
253.08594	0.8
255.10144	100.0
256.10532	1.4
261.22141	1.0
269.07986	0.8
275.19952	0.5
307.13150	0.5
309.01813	0.4
319.13132	0.9
321.14890	1.2
323.12750	0.7
335.25656	1.2
337.14383	0.4
349.14050	0.4
361.10818	0.5
380.64682	0.4
387.12262	2.6
389.95844	0.4
391.11710	0.8
441.16855	4.7
453.16702	0.9
471.18057	3.3
559.35828	0.5
577.13812	0.9
577.22180	9.5
577.36493	0.7
578.22156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.192
Annotation	diandraflavone
Peak:m/z	Relative Intensity
50.96375	0.4
52.31720	0.5
53.03946	2.2
54.29461	0.5
55.01868	1.6
55.05517	0.9
57.03439	2.7
57.30929	0.4
59.04995	0.7
61.02920	3.0
67.05495	3.0
69.03422	14.7
69.07064	1.5
70.06582	0.5
70.15745	2.6
71.04981	2.0
72.08145	1.0
73.02908	2.4
74.72315	0.4
79.05492	2.4
81.03412	9.5
81.07056	3.7
82.62584	0.5
83.04971	1.5
83.08612	0.5
84.08138	0.9
85.02899	19.6
85.06526	0.8
86.62468	0.5
87.04455	1.7
91.03968	0.7
91.05422	2.9
93.07056	1.8
94.89599	0.5
95.04962	2.1
95.08620	1.7
97.02882	10.9
97.06532	0.8
98.21341	0.7
99.04448	7.2
103.03929	2.4
103.05481	1.4
105.03376	0.7
105.07038	1.5
107.04961	1.9
107.08600	2.1
109.02875	10.6
109.06510	1.2
109.10159	1.8
111.04431	0.8
111.08049	1.1
115.03904	0.6
117.07059	0.9
119.04955	3.1
119.05678	0.4
119.08579	1.6
121.02858	1.3
121.06487	1.1
121.10146	1.9
123.04405	2.9
123.08073	1.2
123.11707	1.2
127.03906	54.3
128.04364	0.5
129.07004	0.6
131.04921	1.0
131.08543	1.3
133.10146	2.2
135.04422	1.7
135.08073	0.7
135.11667	1.1
137.02356	2.0
137.05930	1.0
137.13237	0.5
138.05640	0.5
143.08638	0.9
145.02852	0.7
145.04948	5.0
145.10143	0.6
147.04420	4.7
147.11653	1.0
149.02414	0.5
149.05965	1.2
149.09557	1.3
149.13196	0.6
151.03951	0.9
151.07535	0.8
153.01793	1.2
153.05470	0.7
159.04553	0.5
159.11629	0.7
161.02347	0.6
161.09573	0.8
163.03943	1.5
163.06085	0.7
163.07478	1.1
167.07048	2.3
167.82634	0.5
171.11707	0.7
175.03905	2.8
175.11104	0.6
177.05519	0.8
177.09106	0.5
179.10599	0.5
181.04898	0.7
182.02051	0.5
184.93880	0.5
187.05984	1.5
187.07487	0.9
191.03375	0.9
191.08235	2.7
191.14346	0.7
193.05048	0.6
193.12218	0.6
199.07549	0.6
203.03383	1.0
205.07095	0.6
207.06487	7.7
209.04404	0.7
211.07521	0.5
211.13210	0.6
213.05484	0.8
217.04965	0.6
217.12137	0.7
223.07480	0.8
227.07022	1.5
235.13409	1.0
245.07924	0.9
251.06978	0.5
253.07040	0.9
253.14433	0.9
255.06601	0.6
259.11179	0.5
271.05872	9.9
271.08282	1.4
277.12280	0.6
281.08084	0.7
287.05518	0.7
289.09109	0.6
293.11523	0.5
295.05615	0.5
297.07648	1.0
299.05325	0.7
299.09460	0.6
299.12851	0.7
301.07007	0.7
305.11783	0.7
307.05939	1.1
307.12811	0.8
309.07562	2.5
311.09286	0.7
311.12784	1.9
313.06955	0.9
315.04935	0.6
321.07523	0.8
322.08148	0.7
323.09042	0.7
323.12656	1.0
324.06296	0.9
325.07028	28.6
326.07495	1.0
329.13742	3.4
333.11105	1.1
337.07037	6.5
337.10623	1.0
339.08554	1.0
343.08041	3.6
349.07117	2.1
350.07648	2.4
351.08383	3.0
351.12076	2.8
353.10019	0.8
355.07852	1.2
361.10687	12.8
363.08621	1.6
364.09314	2.9
367.07996	0.7
379.11746	52.3
380.12149	1.8
397.12790	100.0
398.13181	1.7
415.13818	4.8
421.12949	1.0
425.12985	0.6
505.13565	4.1
541.16785	1.0
558.83276	0.6
559.18066	40.7
560.18274	1.5
577.20508	7.3
577.33032	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	577.1918
Annotation	diandraflavone
Peak:m/z	Relative Intensity
53.03878	1.2
53.04111	0.6
55.01819	0.6
55.05454	0.6
56.69630	0.3
57.03368	1.7
61.02845	1.8
67.05451	0.6
69.03344	7.3
69.06993	0.7
69.33052	3.5
71.04906	1.1
72.08092	0.5
73.02828	1.3
81.03412	5.5
81.06987	1.0
83.04913	0.7
84.08083	0.5
85.02894	15.9
85.03355	0.9
87.04378	1.1
91.03889	0.9
91.05384	1.1
93.06963	0.9
95.04887	0.7
95.08527	1.0
97.02877	6.2
99.04440	3.8
103.03927	1.8
105.06935	0.7
107.04905	0.3
107.08501	0.6
109.02868	5.9
109.06449	0.4
109.10072	0.6
115.03848	0.4
119.04840	1.0
119.08466	0.7
121.02808	0.5
121.10009	0.4
123.04299	1.0
127.03902	27.4
127.04784	0.9
134.03532	0.7
135.04338	0.4
135.11665	0.4
137.05891	0.8
139.03815	0.5
143.61465	0.3
145.04955	3.4
147.04405	1.8
147.09065	0.4
149.05876	0.7
151.03796	1.1
151.07562	0.5
153.01724	1.2
161.05977	0.5
163.03854	0.6
163.05898	0.4
163.07410	0.7
167.06981	0.5
169.04832	0.5
175.03799	0.9
177.05421	0.7
177.08990	0.4
187.03818	0.4
187.05890	0.5
189.05376	0.4
191.03334	1.0
191.08168	1.8
205.04880	0.6
207.06503	2.4
209.04344	0.6
217.04669	0.3
239.06967	1.1
240.07794	0.5
251.06981	0.6
255.06514	0.6
267.06479	1.5
271.05957	22.5
272.06107	0.6
287.05432	1.5
289.09009	0.6
295.06003	0.7
296.06808	2.7
307.05981	0.5
307.12793	1.0
309.07462	0.5
311.09006	0.8
312.06256	0.5
321.07611	0.9
323.05560	1.9
324.06241	60.2
325.06808	2.9
325.13736	0.5
326.07404	0.5
327.07983	1.1
329.13763	0.6
335.09189	0.4
337.06995	1.7
339.08588	100.0
340.08792	2.7
343.07974	0.5
345.09418	1.1
357.09644	56.1
358.09991	0.6
363.08316	0.6
364.09363	5.9
367.07999	0.5
379.11713	29.9
380.12027	0.8
381.09705	1.6
382.10208	1.7
395.11377	0.7
396.11615	0.5
397.12784	62.3
398.13309	0.9
399.10535	0.6
414.12610	0.6
415.13818	79.4
416.14182	1.2
433.16129	0.4
439.13547	0.6
457.15231	0.6
519.14954	10.2
541.16992	5.6
559.18005	19.8
560.17896	0.8
577.19189	17.3
577.33325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01854	1.8
55.05507	1.0
56.72630	0.5
57.03441	3.1
59.04974	0.6
61.02904	2.2
67.05486	2.0
69.03074	0.8
69.03425	11.2
69.07033	1.0
71.04974	2.3
71.61570	0.8
73.02912	3.9
79.05470	1.5
81.03414	9.4
81.07032	1.5
83.01366	0.5
83.04974	1.2
85.02899	22.5
85.06533	0.8
87.04435	1.4
91.03962	0.7
91.05465	1.9
93.07046	1.2
93.92352	0.5
95.04949	1.3
95.08588	1.2
97.02882	9.8
97.06545	0.7
99.04453	11.0
101.02337	0.7
103.03930	5.4
105.07003	0.8
105.15569	0.5
107.04959	1.8
107.08575	1.5
109.02869	13.7
109.10124	0.8
111.04407	0.6
113.29977	0.6
115.03902	0.9
117.06980	0.7
119.04923	2.0
119.08557	0.9
121.06552	0.6
121.10108	0.8
123.04399	3.8
125.05990	0.7
127.03906	100.0
128.04240	1.0
128.06189	0.5
131.04958	0.5
131.08557	1.2
133.06474	0.8
135.04410	1.1
135.90506	0.5
137.02350	2.3
137.05908	0.9
137.09520	0.6
145.04950	8.4
145.06058	0.8
145.06551	0.7
147.04395	2.8
147.11703	1.2
149.05949	0.8
151.03870	3.6
153.01811	1.2
153.05389	0.5
161.06020	0.8
163.03984	0.6
163.06114	0.8
163.07530	1.3
165.12701	0.6
167.07050	1.1
167.08472	0.7
169.04982	0.7
173.05968	0.7
173.09596	0.9
175.03914	1.2
175.07480	0.6
175.11183	0.5
177.05490	0.5
177.09149	1.4
179.08401	0.6
181.04955	0.6
182.69733	0.6
185.05975	0.6
187.06044	2.6
187.07535	0.5
191.03456	0.8
191.08220	0.7
201.09087	2.3
203.03413	0.8
203.06998	1.0
205.04881	0.7
205.07039	1.1
207.06494	2.3
213.05408	0.6
213.09221	0.6
215.07065	0.6
223.07680	0.9
227.06966	3.7
245.08118	1.5
253.06961	1.0
255.06482	0.9
271.05856	17.3
271.08258	2.7
283.06357	0.6
289.09055	1.6
293.08215	0.6
295.06100	1.0
297.07477	1.4
299.05502	1.8
299.12701	0.7
305.11688	0.7
307.06119	0.6
309.07553	3.6
311.05649	1.0
311.08887	2.5
313.06992	0.9
319.05994	0.6
321.07562	1.0
322.08261	0.7
323.05777	0.7
323.09348	0.8
323.12796	0.8
325.07031	23.4
329.06485	0.7
329.10172	1.4
332.10468	0.6
333.11182	1.9
335.05383	1.0
335.08701	1.0
336.06201	0.8
336.09885	0.5
337.07031	5.2
337.10611	0.8
339.08521	0.7
343.08258	2.0
345.07562	0.6
346.08347	0.9
349.07050	2.8
350.07748	2.2
351.08609	1.4
351.12329	2.2
352.05728	1.1
353.10190	0.8
361.10654	7.5
363.08585	4.7
364.09436	2.9
365.09943	0.9
367.08099	2.8
378.10800	0.9
379.11734	91.5
380.12079	2.0
397.12784	44.0
398.13052	1.1
415.13782	11.1
421.12866	2.2
487.12341	1.0
505.13217	2.1
541.16998	8.1
559.18103	48.5
560.18311	2.1
577.19135	42.5
577.32123	3.3
578.19830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01864	0.5
55.05495	0.7
55.07777	0.2
57.03423	0.7
61.02909	0.4
67.05494	0.5
68.99801	0.2
69.03065	0.4
69.03423	5.1
69.07042	0.5
70.06565	0.7
70.89098	0.6
71.01347	0.4
71.04987	1.6
72.08138	0.7
73.02905	1.6
75.06187	0.2
79.05482	0.7
79.49822	0.2
81.03411	5.7
81.07037	0.7
83.01340	0.3
83.04988	1.1
84.08158	0.4
85.02895	10.6
85.06508	0.4
87.04462	0.6
91.03940	0.3
91.05470	0.7
93.07032	0.9
94.01585	0.2
95.04962	0.6
95.08620	0.6
97.02876	5.5
97.06507	0.4
99.04443	9.8
101.02337	0.2
103.03935	5.1
103.05421	0.3
105.07015	0.7
107.04923	0.4
107.08595	0.6
109.02867	10.3
109.06544	0.3
109.10110	0.5
111.04447	0.5
113.74122	0.2
114.10260	0.3
115.03915	0.7
115.05475	0.2
115.90147	0.2
117.06995	0.2
119.04955	0.6
119.08569	0.5
120.08064	0.3
121.02888	1.0
121.06494	0.6
121.10134	0.3
123.04416	1.9
125.00124	0.2
125.02333	0.2
127.03903	100.0
131.08496	0.3
133.06474	0.4
133.10127	0.4
135.08086	0.4
137.05956	0.5
137.09508	0.2
145.04953	8.0
145.06197	0.4
147.04402	0.9
147.11688	0.3
149.02332	0.2
149.05977	0.6
149.09627	0.3
151.03922	0.5
153.01831	0.4
157.04922	0.4
163.03882	0.6
163.06030	1.0
163.07535	1.1
165.05481	0.4
165.12836	0.3
167.07074	0.6
169.04968	0.9
175.03874	0.8
177.05495	0.3
177.09079	1.3
179.03392	0.6
181.04857	0.3
181.08578	0.3
187.06003	2.8
187.07471	0.3
189.05501	0.3
191.08148	0.9
191.14384	0.4
193.04840	0.4
193.08646	0.3
193.12314	0.2
199.05896	0.4
205.05017	0.4
205.07050	1.0
207.06544	1.2
209.08020	0.3
211.05988	0.2
229.07089	0.9
235.06116	0.7
235.17949	0.3
253.07042	1.7
253.14330	0.4
269.04431	0.3
269.07904	0.2
271.05948	4.8
271.08240	3.2
283.06195	0.4
286.04971	0.2
287.05380	0.3
289.09274	1.7
295.06061	0.5
297.03894	0.9
297.07257	0.5
299.05527	1.4
299.12775	2.3
307.05789	0.3
309.07651	0.4
311.05588	0.7
313.06876	0.4
318.37521	0.2
323.05484	0.3
323.12656	0.3
325.07019	3.6
325.10477	0.4
327.04904	0.4
329.06317	0.4
337.07053	0.8
343.07938	1.3
351.08640	0.3
361.10828	0.4
361.16379	0.2
365.06262	0.3
367.11765	0.3
373.09784	0.4
379.11932	1.2
381.05954	0.3
395.11429	0.5
397.12720	2.8
415.13422	2.7
425.12082	0.7
431.09741	0.4
433.13525	0.3
439.14035	0.4
449.12259	0.5
474.99896	0.2
479.13196	0.3
481.15164	0.4
493.14856	0.3
509.14673	0.3
517.13708	0.4
523.15717	0.3
527.15118	0.8
541.16888	0.8
559.18390	1.1
577.18909	4.7
577.32916	1.0
585.64221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01863	0.5
55.05508	0.4
57.03419	0.8
61.02913	0.6
67.14745	0.2
69.03429	4.0
70.05491	1.3
70.06580	0.9
71.04998	1.3
72.08146	2.0
73.02912	2.5
79.05479	0.3
81.03410	6.0
83.04973	1.4
84.04497	0.5
84.08125	0.7
85.02900	11.6
85.06571	0.3
86.06097	0.2
86.09691	0.6
87.04449	0.5
91.03928	0.2
91.05470	0.5
93.07058	0.2
95.04082	0.2
95.04940	0.4
97.02882	6.3
98.20796	0.2
99.04448	10.5
103.03934	5.1
105.06985	0.4
107.04945	0.3
109.02871	12.1
109.06512	0.2
110.02399	0.7
111.04427	0.4
114.10308	0.2
115.03918	0.5
117.05535	0.3
119.04932	0.7
121.02848	1.6
123.04403	0.5
125.02347	0.4
127.03909	100.0
128.04271	0.5
129.10217	0.4
131.04919	0.3
135.04343	0.2
136.07500	0.2
137.05939	0.3
145.04948	8.8
145.10037	0.2
147.04390	2.0
151.03926	0.4
152.07068	0.5
157.05005	0.5
161.02234	0.2
161.05977	0.4
163.03917	0.3
163.06046	0.7
167.07031	1.2
169.04956	1.0
169.09811	0.3
170.08112	0.3
173.04518	0.2
175.03738	0.2
177.05479	0.4
181.04973	0.2
187.06012	2.4
189.05658	0.3
191.08243	0.5
193.05038	0.3
195.02953	0.4
199.06148	0.4
203.03358	0.3
205.05118	0.4
205.07060	0.7
207.02898	0.5
209.08173	0.6
211.05978	0.3
217.05034	0.4
219.02896	0.3
229.07121	0.7
235.05933	1.0
247.08099	0.2
253.07065	2.2
271.08118	5.1
283.05972	0.7
287.05450	0.6
289.09152	2.4
289.12000	0.3
293.07965	0.2
294.05295	0.3
295.05988	3.3
296.06677	0.5
297.07620	0.5
305.08228	0.2
307.05994	1.5
308.06897	0.7
309.07599	0.7
311.05472	0.6
321.07486	1.5
322.08484	0.4
323.05444	0.9
325.06952	2.8
325.10309	0.2
329.07431	0.3
331.05978	0.2
333.07373	0.5
335.09174	0.5
337.06879	1.0
339.04956	0.3
339.08569	0.3
347.09253	0.4
349.07138	0.9
351.04840	0.3
351.08636	0.6
353.06537	4.5
363.08578	0.4
365.06396	0.5
365.10370	0.3
375.08603	0.5
377.06516	0.6
379.08185	0.4
391.08075	0.6
393.09790	0.3
395.07657	0.5
397.11288	0.6
409.09155	0.9
415.12286	2.0
421.09177	0.7
427.10141	1.0
433.13547	0.6
439.10242	2.2
440.10135	0.2
455.09695	0.5
457.11359	2.6
473.10754	0.6
481.11102	0.6
493.11673	0.3
493.94809	0.2
497.10300	0.3
505.11038	0.5
509.16550	0.2
511.12326	0.5
523.12720	0.5
527.17346	0.2
541.13593	1.7
559.13452	1.0
570.90741	0.2
576.24133	0.2
577.15045	0.3
577.32727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01860	0.5
55.05496	0.5
57.03421	0.6
58.00319	0.2
61.02916	0.5
67.05510	0.2
69.03426	4.1
69.03802	0.2
70.06562	0.2
70.97274	0.5
71.04987	1.3
72.08136	0.3
73.02915	2.2
81.03416	6.2
81.07047	0.4
83.04959	1.1
85.02901	11.2
86.44149	0.2
87.04465	0.4
90.74744	0.2
91.03903	0.2
91.05453	0.4
93.07053	0.3
95.04937	0.2
95.08583	0.3
95.92017	0.2
97.02885	5.3
97.06535	0.3
99.04450	10.4
101.02370	0.2
103.03934	5.8
105.06996	0.3
105.93247	0.2
107.04927	0.2
109.02872	11.4
111.04462	0.3
115.03929	0.7
119.04946	0.6
121.02871	0.3
121.10176	0.2
123.04430	0.3
127.03909	100.0
128.04276	0.3
129.47913	0.2
138.09177	0.2
145.04951	8.9
147.04407	0.8
151.03844	0.3
153.01862	0.5
157.04965	0.3
161.05983	0.2
163.03888	0.3
163.06027	1.3
165.05544	0.2
167.07086	0.3
169.04977	1.0
175.03891	0.4
177.05510	0.2
181.04932	0.2
187.06012	2.9
189.05482	0.2
191.03442	0.4
191.08228	0.4
193.05006	0.4
199.06010	0.4
205.05209	0.3
205.07080	1.1
207.06509	0.8
209.08221	0.2
211.05952	0.4
215.99709	0.2
217.04974	0.2
229.05124	0.2
229.06969	0.9
232.29721	0.2
235.05908	1.0
239.06818	0.2
247.08066	0.2
253.07008	2.0
271.05969	0.6
271.08221	5.3
283.05975	0.2
289.09195	2.0
299.04889	0.2
307.06018	0.2
318.53638	0.2
321.07364	0.2
325.07117	0.4
339.08749	0.3
349.11139	0.2
351.08698	0.3
369.09677	0.2
370.92178	0.2
373.11285	0.2
379.10632	0.2
383.11249	0.6
397.11700	0.8
411.14462	0.2
415.13229	2.6
432.81451	0.2
433.13458	0.8
577.18982	0.7
577.32977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01854	1.2
57.03438	2.3
61.02921	0.9
69.03429	5.9
69.62527	4.3
69.62945	1.2
70.06589	1.9
71.04993	2.9
72.08141	5.3
73.02903	2.4
79.05505	1.0
81.03409	6.7
83.04980	1.3
84.04532	0.8
84.08138	1.3
85.02896	13.8
86.09714	1.6
91.05469	1.5
93.07006	0.9
97.02873	6.3
98.20780	1.5
99.04460	10.5
100.07601	0.8
101.07130	1.2
103.03954	6.1
107.04948	1.1
109.02872	13.4
110.02383	1.4
111.04421	0.9
119.04920	4.8
121.02869	16.4
123.04437	1.1
127.03913	100.0
133.39003	0.7
145.02870	1.5
145.04932	8.7
147.04399	5.4
149.06139	0.8
151.03937	1.3
163.03981	1.4
163.05995	1.5
167.07089	1.6
177.05476	3.1
179.03424	1.4
187.04016	0.8
187.05989	2.3
189.01778	2.2
191.03426	2.3
195.02933	3.3
203.03371	2.5
205.04979	1.2
207.02893	4.1
207.06485	0.8
217.05009	2.0
219.02858	3.0
219.06728	0.8
219.89372	0.8
221.00824	0.9
221.04514	1.6
223.02457	1.2
231.02867	1.8
233.04623	0.9
235.06058	1.4
235.14369	0.9
235.86652	0.9
243.02760	1.0
246.88011	0.9
253.06978	1.4
255.02808	0.9
257.04556	1.3
267.06390	1.2
268.07382	1.7
271.08231	4.5
279.06509	1.6
281.04507	1.0
281.08017	1.6
283.06003	3.2
284.06540	0.9
287.05432	1.4
288.94858	0.8
289.09152	1.8
291.06406	0.9
293.07990	0.9
294.05280	3.5
295.05988	31.0
296.06647	2.9
297.07614	3.4
307.05978	12.7
308.06656	4.3
309.03946	2.8
309.07568	8.8
310.04764	2.1
311.05441	6.8
312.06046	0.8
313.06931	1.9
319.06033	4.2
319.09427	1.1
320.06775	2.0
321.07562	9.7
322.08380	2.3
323.05600	10.8
323.09061	1.7
325.07037	24.5
326.07452	1.0
331.06012	1.6
333.07495	4.0
335.05441	2.4
335.09134	6.3
336.06259	1.3
337.07016	15.8
339.04935	1.8
339.08743	2.3
341.06442	2.2
344.80771	0.9
347.09018	3.8
349.07016	9.3
350.07614	1.0
351.08661	5.8
353.06528	38.6
355.08093	1.2
359.09125	1.2
361.07043	3.5
363.08673	3.8
365.06467	10.8
365.10324	2.1
367.08295	1.4
367.17105	1.0
373.07004	1.1
375.08704	5.0
377.06418	8.4
377.10535	1.0
379.08017	6.8
381.05905	1.9
385.06796	1.4
391.08081	6.6
393.09668	2.4
395.07523	5.2
403.07916	4.3
405.09955	1.8
409.09140	11.0
415.12579	0.9
417.09622	2.1
419.07498	2.5
421.09280	10.1
427.10266	12.2
431.07507	1.4
433.08536	1.2
437.08923	1.3
439.10208	15.8
449.08829	1.3
449.49985	0.9
451.10504	1.0
455.09689	4.9
457.11310	26.4
461.08588	1.0
463.10406	3.6
473.10913	4.5
475.09967	2.0
479.09549	1.2
481.11362	15.6
487.10248	1.1
493.11368	3.2
497.10791	3.2
505.11133	4.4
511.12296	12.2
515.11725	1.8
523.12341	10.8
541.13422	17.3
559.14526	12.1
577.14746	5.4
577.31592	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.155
Annotation	Maysin
Peak:m/z	Relative Intensity
53.03922	2.5
55.01862	1.9
57.03423	2.9
61.02918	3.4
65.03926	1.6
67.05521	1.7
69.03434	7.0
70.23862	4.9
71.04996	2.1
72.08147	2.0
81.03416	6.3
83.01320	1.1
83.04998	2.3
84.08122	5.6
85.02891	14.7
86.09711	1.0
91.05471	2.1
95.04953	1.0
97.02879	5.7
98.09674	4.1
99.04449	8.9
101.06014	2.7
103.03949	4.4
103.05485	1.2
107.04936	1.8
109.02863	14.4
111.04488	2.0
118.42857	1.0
119.04925	8.2
121.02869	24.1
121.03790	1.4
123.04414	4.5
127.03905	85.2
128.10655	1.7
142.08611	1.4
145.02855	3.3
145.04945	6.2
146.11819	1.1
147.04391	1.7
151.03964	1.7
153.01817	1.3
157.95502	1.2
161.05948	1.1
163.03888	1.9
170.06787	1.3
175.03879	3.0
177.01871	2.2
179.03365	4.6
181.04868	1.3
187.05994	2.1
189.01755	3.2
189.05501	1.4
191.03453	2.9
191.08133	1.5
191.62746	1.1
195.02878	7.5
199.03912	2.3
201.01816	1.3
203.03360	9.2
205.01318	8.8
205.05014	1.2
206.02054	1.5
207.02904	8.6
207.06548	3.0
215.03386	1.9
217.01385	2.4
217.04991	7.6
219.02837	3.1
221.04378	5.1
223.02403	3.8
227.03383	3.2
229.04953	2.6
231.02924	3.2
233.04581	2.4
235.02351	3.6
241.04947	1.3
243.02802	1.6
245.04457	2.3
247.02367	2.5
249.03975	1.3
251.07048	1.1
254.05836	1.6
255.02940	3.2
257.04303	1.4
261.03949	1.4
266.05634	1.8
267.06573	2.1
268.07367	2.5
269.04370	1.7
270.05048	1.6
271.05951	3.6
271.08429	2.7
273.03894	2.8
279.06458	5.2
280.07144	1.4
281.08148	1.9
283.02567	2.4
283.06033	8.1
284.06766	2.0
287.05518	4.9
288.05807	4.7
289.09003	1.7
290.15784	2.2
293.08005	2.8
294.05222	9.1
295.05997	75.1
296.06607	5.0
297.04651	1.1
297.07516	6.1
305.08228	1.8
307.06000	23.7
308.06784	6.4
309.03912	7.6
309.07562	16.5
310.04684	15.2
311.05493	4.5
311.37057	1.1
313.07101	3.4
317.07986	2.5
319.06030	3.3
320.06744	3.0
321.07574	23.6
322.04608	3.5
322.08231	3.3
323.05490	100.0
323.08505	3.6
324.06122	6.5
325.07010	33.9
329.08215	1.4
331.05853	2.7
333.07449	6.4
335.05441	11.1
335.09158	15.9
336.06241	3.4
337.07025	25.3
339.04962	2.7
339.08832	1.8
341.06473	1.8
345.07449	5.8
346.08344	2.7
347.05447	2.5
347.09146	6.8
349.07028	24.5
350.07617	2.1
351.04855	5.0
351.08679	6.3
353.06537	72.8
355.08035	2.5
361.06970	14.4
361.10782	1.6
362.08002	1.7
363.04291	1.3
363.08615	21.5
365.06445	9.1
365.10306	2.2
367.08057	2.5
373.06979	9.5
375.04645	7.4
375.09070	6.2
376.05563	1.9
377.06467	24.9
377.10480	1.2
379.08109	12.1
387.08838	1.7
389.06372	6.1
391.08072	19.6
393.09531	3.1
395.07498	3.3
401.06375	11.6
401.10709	1.1
402.06973	1.9
403.07898	6.9
405.05563	1.4
405.10196	1.2
407.07562	57.9
409.09183	18.9
415.08890	1.5
417.09598	3.0
419.07544	20.4
421.09085	9.8
427.10153	25.5
429.09879	1.4
435.10571	1.8
437.08630	18.2
439.10190	17.6
455.09830	6.2
457.11282	48.7
459.10733	1.1
463.10239	7.7
475.10223	2.7
481.11276	82.1
487.10645	3.6
493.11386	9.5
499.12445	2.2
505.11307	10.3
511.12344	30.9
523.04486	1.3
523.12311	31.4
541.13318	52.8
559.14368	29.1
577.22461	11.3
577.30798	2.2
578.22247	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1549
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
51.47262	0.1
53.03931	0.6
54.41050	0.1
55.01859	0.3
55.05492	0.4
57.03415	0.4
58.57287	0.1
60.05649	0.1
61.02919	0.2
67.01855	0.3
67.05490	0.4
68.99829	0.2
69.03419	1.7
69.07049	0.3
69.65036	0.2
69.65438	0.7
70.06595	0.2
71.04991	0.7
72.08154	0.9
73.02911	0.5
74.52869	0.1
79.05469	0.4
80.70190	0.1
81.03417	2.3
81.07043	0.7
83.04967	0.5
84.08143	0.2
85.02903	3.7
85.06509	0.1
86.09691	0.2
87.04427	0.1
91.05465	0.9
93.07024	0.5
95.04961	0.3
95.08620	0.6
97.02891	2.4
97.06536	0.2
99.03820	0.2
99.04453	3.8
103.03938	2.0
105.07049	0.6
107.04905	0.2
107.08589	0.3
107.45603	0.1
109.02874	3.8
109.06527	0.2
109.10193	0.3
114.10290	0.4
115.03932	0.1
119.04935	1.7
119.08507	0.1
120.08106	0.2
121.02879	0.6
121.06472	0.2
121.10137	0.4
123.04434	0.3
123.08027	0.2
125.02285	0.1
125.05991	0.2
127.03910	32.4
129.01819	0.2
131.04941	0.2
131.12892	0.2
133.06473	0.1
133.10168	0.2
135.04410	0.1
135.07977	0.1
137.02353	0.1
137.05930	0.2
138.09132	0.2
139.03958	0.1
145.02834	0.6
145.04942	2.9
145.06235	0.2
145.06503	0.1
145.10178	0.1
147.04420	1.1
147.11670	0.2
149.05995	0.1
149.09618	0.2
151.03893	0.2
153.01825	3.4
161.05981	0.2
163.03888	0.6
163.06044	0.4
167.07065	0.5
169.04999	0.2
171.02907	0.7
175.03889	0.3
177.05434	0.3
187.03984	0.2
187.06035	1.2
189.05510	0.3
191.08301	0.6
191.82707	0.1
197.05969	0.2
199.03999	0.2
201.05478	0.1
205.05121	0.1
205.07059	0.4
207.06525	0.4
211.13382	0.1
213.05467	0.3
225.05533	0.3
229.05051	0.2
229.07033	0.2
235.06020	0.2
235.13269	0.1
243.06435	0.2
253.06949	0.6
253.14246	0.2
267.13687	0.1
271.05981	100.0
272.06329	0.9
289.09155	0.6
297.07507	0.2
307.05957	0.2
307.12997	0.3
309.14676	0.1
325.07187	0.5
325.13947	0.2
339.08627	1.1
357.09521	0.1
361.10550	0.1
373.90399	0.1
379.11685	0.9
397.12622	1.1
415.13629	0.9
433.11206	3.8
457.10883	0.2
541.36090	0.1
559.18292	0.7
576.41382	0.3
577.17786	0.4
577.32416	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	576.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01849	0.9
55.05502	2.1
57.07072	77.5
64.74540	0.8
66.71915	0.8
67.05498	3.1
69.03419	1.8
69.07064	1.4
69.59083	6.8
70.11147	1.0
71.08634	1.3
73.06543	2.7
75.28985	0.8
79.05476	2.4
81.07033	2.8
83.08633	1.3
86.09672	1.1
87.04459	14.4
89.06026	100.0
91.05465	10.4
93.07039	10.3
95.04967	4.5
95.08626	1.5
97.06494	1.1
97.10131	1.1
98.20770	1.7
103.05463	2.5
105.07010	4.1
107.04955	1.9
107.07055	3.9
107.08584	3.9
109.10160	1.8
113.13280	0.8
117.07011	2.3
119.04900	4.6
119.08574	7.8
121.06502	39.0
121.10139	1.6
123.08039	2.1
127.03878	1.5
130.08609	4.5
131.07057	5.4
131.08546	1.4
133.08595	65.3
135.08046	4.9
135.11703	2.1
138.19650	1.0
145.10110	1.0
147.08026	14.5
149.09615	4.9
149.13216	1.0
149.21634	0.9
150.06761	8.1
159.11722	2.5
163.11150	2.8
165.09088	15.9
167.10672	2.5
175.09665	3.8
175.11066	1.4
177.11230	27.6
177.12746	3.0
191.10648	3.8
193.12338	1.4
209.11702	7.3
211.13275	3.5
217.12025	1.2
221.13808	6.6
233.19009	24.8
235.13268	3.8
253.14343	3.5
255.15958	2.7
259.20587	2.4
275.23743	1.1
277.21619	39.1
277.24677	2.0
278.21887	1.0
279.16022	1.2
283.17343	2.0
303.23169	2.5
309.19315	1.2
313.15436	1.2
315.18048	2.8
321.24219	13.2
359.20663	2.9
403.23105	2.8
447.25894	25.2
471.33044	2.0
515.35486	3.1
544.36743	1.4
559.38385	40.6
576.41412	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	576.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.05505	17.7
57.03432	2.3
58.06594	9.4
59.04990	3.3
61.02915	1.0
67.05490	1.3
69.03422	5.9
70.06580	1.2
71.01338	0.4
71.04984	0.9
71.61113	0.4
72.08125	1.7
73.02909	0.7
79.05504	0.5
81.03416	3.3
81.07063	0.4
83.04974	9.8
84.08135	45.7
85.02895	7.2
85.06543	1.0
86.06043	0.7
86.09688	0.5
87.04471	1.7
91.05492	0.6
94.23896	0.4
95.04967	0.8
96.02112	0.4
97.02271	0.6
97.02883	10.7
97.06512	1.1
98.09687	0.6
98.97614	0.7
99.04429	1.5
100.11255	2.5
101.06009	37.8
102.78252	0.4
103.03939	0.6
109.02876	1.9
111.04417	0.8
114.09129	0.5
115.03917	1.3
119.04962	0.5
121.10191	0.4
124.07632	0.4
124.11222	0.6
125.05976	0.7
127.03912	6.0
128.10706	17.2
135.04448	0.6
137.02327	9.9
139.03882	0.5
145.04930	1.2
146.11748	24.7
147.04370	1.4
153.01814	0.9
163.03903	0.9
167.07011	0.8
173.08081	1.0
177.05467	0.5
186.11472	0.3
191.11520	0.6
201.13580	2.7
202.14404	1.4
203.03513	0.4
214.14246	0.4
218.13843	6.4
242.13820	5.1
252.17854	0.4
258.13480	0.7
260.14917	31.1
261.15442	0.4
278.15976	1.2
283.12347	0.4
325.07339	0.4
373.64920	1.1
417.19501	0.4
422.20203	16.7
423.20963	0.6
426.20068	1.1
445.17661	0.4
457.11548	0.6
499.12433	0.5
558.15564	0.3
558.21844	3.4
558.29187	0.7
576.22791	100.0
577.23145	2.0
583.20636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01868	5.3
55.05507	7.8
57.03425	2.8
57.07062	1.0
58.06578	1.5
58.14435	0.7
59.05000	1.2
61.02912	1.4
67.05483	2.5
69.03126	1.0
69.03426	11.3
69.07057	1.6
69.38634	7.2
69.39046	1.9
70.06587	5.4
71.04990	6.9
72.04507	8.1
72.08148	6.0
73.02911	8.3
75.04463	1.2
79.05466	2.1
81.03410	18.1
81.07041	4.5
82.06570	7.9
83.04977	5.5
83.08602	2.3
84.04491	2.0
84.08134	22.3
85.02891	18.1
85.06496	1.4
86.06040	3.1
86.09682	1.6
87.04459	1.5
90.05534	8.7
91.05464	2.7
93.07030	3.4
95.04974	5.9
95.08594	1.9
96.04449	1.0
97.02869	13.8
97.06548	1.1
98.02396	1.0
98.06036	5.2
98.09191	0.7
98.09704	7.1
99.03825	1.7
99.04448	28.1
100.07599	2.7
101.06023	7.3
103.03928	5.3
105.07027	3.0
107.04935	1.3
107.08576	3.9
109.02869	32.6
109.06493	3.8
109.10149	1.5
110.02433	1.7
110.06033	54.6
111.04433	1.8
111.08057	1.3
114.05513	1.1
115.03943	1.1
116.03433	1.5
116.07076	2.5
119.04919	1.5
119.08580	2.1
121.02840	3.9
121.06503	1.1
121.10114	5.6
123.04415	3.0
123.08076	5.0
123.11697	2.4
127.03906	100.0
128.07065	11.5
128.10709	8.9
129.10228	1.0
131.08597	1.6
133.06480	1.2
133.10127	3.5
135.08037	2.1
137.02336	1.2
137.05945	1.7
138.05516	2.9
140.06992	0.9
141.47754	0.9
142.08659	1.1
144.10193	2.5
145.04933	9.2
146.08087	3.9
146.11774	4.7
147.04414	5.7
147.11664	3.4
149.05962	1.3
149.13318	1.2
151.03799	1.4
152.07050	26.0
153.01820	4.7
153.09097	1.5
154.08617	0.9
161.02284	1.0
161.05951	1.4
163.03854	1.3
163.07445	1.2
163.14767	0.9
165.12758	3.5
167.07042	4.8
169.09683	0.9
170.08112	56.5
171.02910	1.0
171.42050	0.9
173.13162	1.6
175.03839	1.1
181.04871	1.5
187.06003	1.8
188.09157	23.0
189.05475	1.6
191.14308	10.9
198.07663	1.5
199.06006	4.1
203.03331	1.2
206.04636	1.4
206.10243	7.1
207.06396	1.3
209.15367	2.4
212.09207	1.5
216.08664	6.3
217.04916	5.6
217.07100	4.0
230.10336	1.0
231.06523	1.3
234.09831	1.2
247.07535	1.4
248.11089	2.0
253.06976	2.1
255.02745	0.9
255.06354	1.0
267.06558	1.2
269.04416	3.0
271.05884	2.7
271.08237	3.6
272.14932	0.9
278.10269	2.8
283.05981	5.2
287.05478	24.7
288.05917	2.1
288.14444	1.9
289.09149	2.1
290.15982	3.8
295.05923	5.1
296.11288	18.1
307.05969	2.6
307.09543	1.4
309.07614	3.0
311.05487	2.0
313.07108	2.4
314.12305	55.8
321.07599	6.6
323.05478	3.0
325.07120	2.9
325.10599	1.0
332.13342	10.4
334.46289	1.0
335.09009	1.3
336.06445	1.0
337.07101	3.3
337.10773	1.1
347.09088	1.6
349.07132	1.4
350.14432	32.4
351.08533	1.8
351.12296	1.6
353.06647	1.7
363.08795	1.6
367.08029	2.5
375.08704	1.6
379.08224	1.9
391.07816	1.2
395.07727	1.0
407.07358	1.2
415.13892	1.2
419.07736	1.5
421.09244	2.4
427.10184	1.7
451.10547	1.2
457.10828	1.7
481.11401	2.6
499.12244	1.2
504.25754	1.8
511.12119	1.5
523.12494	1.9
526.16980	1.3
540.27917	3.4
541.13593	1.9
558.19476	2.7
576.20648	47.5
576.29761	2.7
577.20630	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	576.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01838	1.0
55.05510	4.6
55.43373	0.3
57.03408	0.6
58.06555	1.4
59.04987	0.8
67.01824	1.2
67.05456	0.9
68.06780	0.3
68.99771	2.0
69.03420	2.3
70.06586	1.8
70.95968	1.0
71.04964	0.8
72.08102	1.1
73.02860	1.2
81.03401	2.3
81.07030	0.4
82.06531	0.4
83.04987	2.4
84.04449	0.3
84.08137	23.1
85.02899	4.8
85.06514	0.8
86.09644	0.4
87.04424	0.9
91.05443	0.8
96.08086	1.2
97.02895	3.1
98.09679	15.1
99.04404	1.5
99.09992	0.4
100.11227	0.7
101.06008	11.5
107.04883	0.6
109.02834	1.6
111.04403	1.6
114.09127	0.6
119.04938	0.7
120.66163	0.4
121.02818	1.2
121.06459	0.6
123.03568	0.4
123.04418	5.5
127.03902	5.1
128.07014	0.5
128.09790	0.7
128.10706	11.4
128.11641	0.9
129.01785	0.6
133.06491	0.4
135.04372	0.8
137.02296	1.0
142.08595	1.4
145.02792	0.4
145.04955	0.8
145.10020	0.4
146.11742	6.6
147.04375	2.2
149.02318	2.2
151.03868	1.1
153.01823	18.8
161.02345	1.8
161.05890	0.9
163.03813	0.5
165.01799	0.4
167.03378	0.4
167.06978	0.6
171.02875	9.2
173.05869	0.5
175.03813	1.9
179.03351	1.5
185.05920	0.6
188.12738	0.4
189.05458	4.9
195.02832	0.6
199.03905	0.5
201.05472	1.1
203.03351	0.5
203.06989	1.5
213.05408	1.4
217.04939	21.4
218.13823	0.4
219.06473	0.7
229.04976	0.6
230.13803	0.9
231.06482	4.8
241.04962	1.6
245.04402	3.4
246.13449	0.4
247.54230	0.4
254.13826	0.5
259.06100	2.4
269.04425	22.5
270.13333	1.0
271.06039	3.4
272.14981	3.1
287.05475	87.7
288.05862	1.3
288.14438	2.7
289.07104	1.1
290.15955	12.3
295.05957	2.0
307.06021	1.0
321.07477	1.0
323.05447	0.9
325.07022	1.2
329.06375	0.5
333.07458	0.6
335.08990	0.5
337.07043	0.5
345.07333	0.6
347.05182	0.4
347.09003	0.5
349.07062	0.8
351.08591	0.6
353.06525	0.9
363.08710	0.6
377.06564	0.5
379.07846	0.4
391.08142	0.8
427.10825	0.5
439.09506	0.4
455.52820	0.4
457.11111	0.7
466.36804	0.4
480.12759	0.4
481.11194	0.8
511.12231	0.8
523.12213	0.4
540.14368	0.6
541.13110	0.9
558.20288	4.0
559.14075	0.4
576.20709	100.0
577.20959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.2
55.01865	11.7
55.05511	52.5
57.03427	13.0
57.07069	4.7
60.20692	2.7
60.98775	2.8
65.03957	4.9
67.05503	100.0
67.05869	5.8
69.03426	7.4
69.07062	37.4
69.54068	24.5
71.04990	20.4
79.05053	5.6
79.05490	83.9
81.03398	24.5
81.07054	84.3
83.04971	11.1
83.08620	32.1
85.02888	8.1
85.06522	9.5
91.05479	78.6
93.07044	64.1
95.04968	26.2
95.08596	68.6
97.02853	3.3
97.06525	16.6
97.10183	18.9
99.08089	12.2
105.07030	63.7
107.04942	12.2
107.08589	45.9
107.93361	2.9
109.06517	10.6
109.10143	32.7
111.04453	4.4
111.08080	8.9
115.05422	3.5
116.06274	3.6
117.07020	45.8
119.08581	46.9
121.06493	10.2
121.10139	32.9
123.04476	3.5
123.08079	12.6
123.11675	7.3
125.09635	23.1
128.06221	8.5
129.07004	29.4
130.07820	3.5
131.08553	46.1
133.06473	6.6
133.10126	40.9
135.08025	12.6
135.11694	15.4
137.09616	5.7
139.11176	5.7
141.07005	6.3
142.07751	6.6
143.08565	26.0
145.10115	43.9
147.08051	6.8
147.11658	19.5
149.09607	17.0
149.13243	6.5
151.11160	5.6
154.76126	3.4
155.08589	16.6
157.10152	25.3
159.07993	5.9
159.11681	27.7
161.09616	11.6
161.13268	9.0
163.11153	8.3
165.12776	4.2
167.08603	3.8
169.10121	22.4
171.11670	22.7
173.09644	6.4
173.13222	15.8
175.11200	6.6
176.54218	3.0
177.12874	4.2
179.08492	4.1
181.10156	9.3
181.12192	3.3
183.11679	18.9
185.13264	12.6
187.11118	6.1
187.14861	10.2
189.11208	8.1
189.12779	5.6
193.10144	4.4
193.12180	9.8
195.11694	10.5
197.13269	10.7
199.14828	5.1
201.16310	3.9
207.11818	3.0
209.13284	8.0
211.13211	14.3
211.15024	3.3
213.16345	4.3
215.14482	4.2
217.15918	4.6
223.14833	3.4
225.16415	4.9
227.12631	15.1
235.14789	3.8
253.14320	4.7
267.15967	8.4
273.18484	12.3
275.20157	10.9
283.20419	4.1
287.20181	4.4
291.19492	27.7
299.23682	13.8
325.21933	3.5
325.58319	3.0
347.22266	3.7
365.23358	4.5
370.82523	3.0
415.29559	5.9
421.25726	5.7
423.27414	5.1
433.30969	21.4
451.32019	12.1
469.33047	8.7
471.31421	4.7
499.33749	3.9
507.34332	8.9
517.35229	26.2
525.35748	72.3
538.39893	3.1
543.29260	5.6
543.36865	69.6
557.37720	29.1
575.38281	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
53.61743	2.7
55.01855	14.9
55.05511	19.1
57.03440	19.1
65.03931	3.0
67.05499	75.3
69.03430	4.3
69.07066	19.8
69.57993	21.3
71.05007	9.2
71.91372	2.8
79.05487	71.6
81.03413	9.8
81.07054	67.4
83.04974	36.0
83.08631	15.5
85.02882	4.0
85.06541	7.8
91.05471	88.3
91.05997	5.4
93.07037	75.8
95.04955	27.4
95.08595	45.8
97.02863	3.4
97.06512	18.1
97.10148	7.2
99.04471	7.3
99.08105	2.7
103.05422	4.8
105.07019	68.8
105.71722	2.7
107.04937	25.5
107.08584	42.6
109.06530	6.6
109.10139	16.5
111.04446	33.9
111.08074	16.8
115.05476	6.8
117.07008	57.8
119.08566	54.1
119.09328	3.5
121.06502	6.0
121.10118	40.7
123.08054	4.7
123.11658	3.3
125.09551	3.3
128.06200	5.7
129.05531	3.2
129.06998	26.1
130.07755	5.4
131.08563	59.2
131.09502	3.9
133.10114	27.9
135.08049	6.8
135.11673	31.9
141.06987	5.5
142.07852	3.5
143.08554	21.3
145.06494	9.5
145.10110	93.1
147.04355	4.3
147.08040	5.6
147.11667	31.5
149.09627	12.8
149.13309	3.9
153.07045	4.4
153.12737	22.5
155.08527	13.5
157.10110	22.6
159.11674	54.9
161.09648	5.8
161.13275	11.2
163.11179	42.8
169.10184	9.4
171.11624	13.8
173.09602	24.7
173.13223	18.5
175.11234	4.0
175.14880	4.8
178.08495	2.8
181.12207	24.1
183.11678	7.9
185.13222	17.9
187.14769	3.8
191.10660	26.2
197.13306	9.8
197.16611	2.8
198.50882	2.9
199.14870	4.5
201.12645	2.9
203.14372	6.9
209.11732	8.4
211.14838	5.0
219.17477	10.2
222.55174	2.7
227.12755	28.4
229.19543	8.9
239.17934	16.2
247.20665	3.7
255.17403	3.8
257.18970	72.0
265.14304	25.3
267.15851	4.2
273.18549	3.7
275.20044	35.7
283.15411	44.5
291.19620	4.3
299.14847	3.9
301.16452	28.3
313.21820	3.4
316.07791	3.7
331.22592	16.0
339.08633	3.8
349.23984	7.5
447.28864	4.1
450.18451	3.1
465.30048	3.8
483.31058	3.7
511.34225	11.8
539.33612	16.0
557.34705	29.3
575.35797	100.0
575.49445	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	575.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01871	6.2
55.05510	23.6
57.03426	6.1
57.07079	9.0
61.02919	5.3
65.03919	2.2
67.05501	43.5
68.99795	2.5
69.03426	28.9
69.07062	41.8
70.06580	2.2
71.04993	15.1
71.08624	3.3
71.22253	3.7
72.08144	3.0
73.02911	3.5
75.04524	1.4
76.14268	1.5
79.05495	20.2
81.03413	24.2
81.07053	100.0
81.41402	1.2
83.04970	4.9
83.08615	23.4
84.08145	1.9
85.02904	66.0
85.06525	4.0
85.10136	1.9
87.00820	20.5
87.04469	1.8
91.05477	14.3
93.07038	38.5
95.04968	8.1
95.08604	97.3
97.02886	23.7
97.06523	10.1
97.10156	15.9
99.04456	10.6
101.02336	1.7
105.01854	21.2
105.03391	2.0
105.07026	19.0
107.04940	4.6
107.07874	1.7
107.08591	34.7
109.02872	19.2
109.06509	3.7
109.10150	60.5
110.10507	1.6
111.04459	3.4
111.08086	6.0
111.11719	10.5
115.03959	1.8
117.01803	1.7
117.07017	3.7
119.04957	2.4
119.08575	16.0
121.06496	2.2
121.10136	27.2
123.04430	3.2
123.08067	3.2
123.11702	35.3
125.09605	3.5
125.13277	5.1
127.03911	37.1
129.01808	1.8
131.04901	1.8
131.08606	5.7
133.10127	10.1
134.03636	2.5
135.08142	2.0
135.11691	26.0
137.06044	3.7
137.09587	2.2
137.13226	11.5
139.11191	3.6
143.08618	1.9
145.04984	9.0
145.06537	2.2
145.10144	4.2
147.04366	7.1
147.08118	1.9
147.11673	7.0
149.05956	1.5
149.09662	2.6
149.13249	26.7
151.03943	2.5
151.07588	3.3
151.14818	6.1
159.02895	6.0
159.08043	1.6
159.11710	3.5
161.05952	2.3
161.13239	7.6
163.03876	2.2
163.07681	2.1
163.14828	16.4
165.16359	4.2
167.07056	7.8
167.14310	1.9
171.11697	3.1
173.09654	1.7
173.13252	2.6
175.07491	2.8
175.11276	1.4
175.14809	5.9
177.16374	9.4
179.18019	3.8
182.92633	1.4
189.04022	2.0
189.16357	3.5
191.17937	6.4
193.19620	2.2
203.17961	3.0
205.12241	1.8
205.19412	2.1
213.03787	1.9
217.19537	6.2
227.06963	2.5
231.04991	5.6
239.07021	1.9
245.22708	1.7
247.24269	4.0
261.25766	3.9
273.25757	24.1
279.14044	1.8
279.26834	4.9
291.26782	15.1
297.27908	10.7
309.27893	26.4
323.09122	2.2
324.06259	19.4
325.06699	2.5
327.28943	8.4
335.09229	4.1
339.04990	5.1
339.08578	29.1
340.09048	3.1
349.06927	2.4
351.08594	1.8
353.10141	2.3
357.09708	13.0
360.09943	4.8
363.08545	5.3
364.09518	3.5
365.10172	2.2
375.12183	9.2
376.12881	1.5
377.10214	2.3
378.10999	12.8
381.27991	3.4
393.13303	47.0
394.13641	4.6
395.11133	6.0
399.29095	3.1
411.14325	50.1
412.14786	4.3
413.16183	12.9
417.29938	4.9
429.15369	1.9
435.31274	2.0
480.44858	1.5
503.15396	3.6
503.30081	2.0
521.30499	2.0
552.66827	1.4
557.20270	67.5
557.32544	3.9
558.20703	9.9
575.19446	10.2
575.33350	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	575.2119
Annotation	Dalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03913	0.5
55.01839	0.5
55.05512	0.7
57.03437	1.1
57.07047	0.3
61.02924	1.3
65.03931	0.2
67.05502	1.0
68.99728	0.2
69.03427	5.2
69.07063	0.9
71.01321	0.2
71.04990	0.7
73.02911	0.9
73.28654	0.1
79.05451	0.5
81.02988	0.1
81.03414	1.8
81.07052	2.3
83.01283	0.2
83.04926	0.2
83.08572	0.4
84.08118	0.1
85.02899	11.4
85.06509	0.3
87.00799	0.3
87.04462	0.8
91.03909	0.4
91.05469	1.3
93.07040	0.9
93.10516	0.1
95.04919	0.4
95.08597	2.0
97.02885	3.7
97.06496	0.1
97.10124	0.6
99.04440	0.7
101.02355	0.3
103.03909	0.2
105.01807	0.4
105.03328	0.2
105.06985	0.5
107.04920	0.2
107.08569	0.8
109.02872	1.7
109.06490	0.3
109.09556	0.1
109.10142	1.5
111.07984	0.2
111.11681	0.2
117.03342	0.4
119.04884	0.4
119.08519	0.4
121.06497	0.3
121.10104	0.6
123.04396	0.5
123.08031	0.2
123.11673	0.7
127.03910	3.0
129.01819	0.2
131.08548	0.2
133.10106	0.3
134.03575	0.5
135.04385	0.2
135.11650	0.4
137.05943	0.2
137.13237	0.3
141.05423	0.2
145.04965	1.2
145.06070	0.2
145.10074	0.3
147.04402	1.9
147.11671	0.3
149.06062	0.2
149.13239	0.8
151.03842	0.5
161.05940	0.1
161.13223	0.2
163.03879	0.2
163.14822	0.5
165.05489	1.0
167.06981	0.3
167.08444	0.1
174.02943	0.1
175.03914	0.2
177.01736	0.2
177.16330	0.2
183.10059	0.1
183.11877	0.2
191.03328	1.3
195.08047	0.3
197.05956	0.2
208.03587	0.2
209.04408	1.3
212.08394	0.2
215.10739	0.2
217.04909	0.2
217.19542	0.2
223.07513	0.3
225.05496	0.2
231.04977	0.1
237.35197	0.1
239.06924	0.5
240.07715	0.3
251.07019	0.4
261.25989	0.2
265.08539	0.2
267.06540	1.6
268.07111	0.8
269.08051	0.2
273.25809	0.3
278.05475	0.2
279.06470	0.5
279.26712	0.3
281.04211	0.2
283.09674	0.2
285.07397	0.2
289.17761	0.1
291.26700	0.7
293.08084	0.2
295.05972	1.3
296.06769	2.9
299.12967	0.2
306.05194	0.5
307.05948	0.2
309.04141	0.2
309.07639	0.5
309.27884	0.2
311.09073	1.3
312.06125	0.2
321.07605	0.9
323.05481	1.8
323.09030	0.3
324.06259	37.3
325.06567	1.5
327.08713	0.2
327.12219	0.2
337.07086	1.1
339.08603	100.0
340.08926	2.6
348.63898	0.1
351.08664	0.2
357.09662	28.0
358.10217	0.7
363.08783	0.3
381.09683	2.0
393.13327	0.6
395.15030	4.9
396.15424	0.2
399.10977	0.2
405.09698	0.2
411.14175	0.7
413.15927	59.1
414.16290	1.0
501.13998	1.4
519.14935	4.5
557.20911	1.1
575.21112	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	575.2119
Annotation	Dalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03907	0.5
55.01844	0.4
55.05473	0.2
57.03430	1.2
61.02916	1.1
65.03904	0.1
67.73560	0.1
69.03424	5.1
69.03787	0.2
71.01333	0.3
71.04947	0.4
71.12750	0.2
71.13130	0.4
73.02911	0.8
81.03409	1.6
85.02898	9.7
87.04467	0.8
89.03879	0.2
91.03900	0.4
91.05448	0.8
95.04965	0.2
97.02879	2.9
99.04457	0.6
101.02365	0.3
103.03880	0.2
109.02868	1.1
115.03847	0.2
117.03316	0.4
117.91094	0.1
119.04890	0.5
123.04403	0.2
127.03886	1.6
134.03555	0.2
135.04367	0.1
141.05428	0.3
145.04945	1.0
147.04391	1.7
149.05951	0.1
151.03885	0.3
151.04947	0.2
163.03809	0.2
165.05486	0.8
165.06778	0.2
175.03906	0.2
187.03835	0.2
191.03357	1.1
195.08037	0.2
208.03610	0.2
209.04430	1.1
209.16478	0.1
223.07545	0.3
225.05327	0.2
239.06990	0.5
240.07817	0.3
251.06952	0.5
253.04904	0.1
267.06528	1.2
268.07315	0.8
278.05676	0.2
279.06458	0.6
283.09567	0.3
295.05966	1.2
296.06793	2.9
297.07434	0.2
306.05148	0.3
307.05957	0.4
309.04166	0.2
309.07312	0.7
311.09039	1.4
321.07523	0.9
323.05432	1.7
323.08884	0.3
324.06244	33.8
325.06641	0.9
337.06964	1.2
338.07813	0.3
339.08588	100.0
340.08911	1.6
341.06561	0.4
353.10245	0.2
357.09644	27.9
358.09885	0.6
363.08588	0.5
381.09659	2.5
395.14890	5.4
399.10666	0.2
405.09506	0.4
407.28043	0.2
413.15909	57.5
414.16165	1.7
455.17090	0.3
483.12595	0.1
501.14041	1.3
519.14941	4.6
520.14838	0.2
557.19690	0.5
575.21393	2.6
576.21326	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	575.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
58.06585	0.3
59.05001	0.3
61.02911	0.3
65.03930	0.3
67.05505	0.4
69.03427	0.9
69.07040	0.4
69.46671	0.3
70.06586	1.3
70.59969	0.5
70.60370	0.7
71.04978	0.6
72.08154	2.4
79.05466	0.4
81.03423	0.6
81.07079	0.5
84.04529	0.3
84.08132	0.7
85.02893	1.4
86.06073	0.5
86.09692	0.9
87.04449	0.4
91.05486	0.7
93.07020	0.4
95.04952	0.5
95.08592	0.4
97.02897	1.8
98.06051	0.9
98.09649	0.5
99.04462	0.3
107.04934	0.6
107.08595	0.3
109.02872	1.0
109.06484	0.3
109.10179	0.3
110.02406	0.8
111.04457	0.3
116.07079	0.6
119.04921	0.5
119.08598	0.4
121.02872	1.4
121.10136	0.3
123.04385	0.5
127.03900	2.6
131.04941	0.3
137.06012	0.6
138.21815	0.2
145.02826	0.4
145.04933	0.4
147.04391	4.1
148.04739	0.8
149.05969	0.3
151.03889	0.4
167.07077	1.2
175.03749	0.3
177.05450	0.6
185.04271	0.5
189.05212	10.4
190.05666	0.3
191.03386	0.4
201.05299	0.3
202.06010	1.8
203.03485	0.3
203.06859	0.8
207.06595	0.4
215.03430	0.4
215.06775	1.9
216.07436	0.4
217.08359	0.6
218.11790	0.4
232.07123	0.4
233.07947	0.7
250.39194	0.3
269.04779	0.3
271.05881	0.7
272.06235	0.4
277.16650	1.8
277.66690	0.4
283.06036	1.2
285.07544	0.7
286.07944	0.7
295.05939	0.8
305.07977	0.3
307.05960	0.5
308.06833	0.5
309.03912	1.3
309.07581	0.9
313.07181	1.2
321.07407	1.4
323.05374	0.3
323.09131	0.4
325.06976	0.5
333.07672	0.6
335.05493	0.4
335.09146	0.4
337.06833	1.7
339.04965	0.8
339.08636	0.6
347.09296	0.7
349.07013	0.8
355.08170	0.5
361.06873	0.6
365.12097	1.8
367.08142	1.1
375.08646	0.6
379.08350	0.7
379.13574	6.3
383.15082	0.3
395.12952	1.1
397.08719	0.6
397.13098	0.5
407.07581	0.6
412.14899	1.2
413.10632	0.5
413.15750	6.8
414.16608	0.5
415.10355	0.4
421.09134	0.8
437.08780	0.7
451.10382	0.6
455.09564	0.6
457.11005	0.6
461.08670	0.5
479.09766	1.8
491.09668	1.1
499.12094	1.1
509.11115	0.7
521.10864	0.8
539.11670	1.2
557.19183	0.4
575.20898	100.0
576.21124	5.0
599.00757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05494	0.7
61.02928	0.4
65.03954	0.5
66.10166	0.4
67.05501	1.7
69.03421	1.8
69.07056	1.1
70.06575	0.9
71.04985	1.1
71.62794	0.5
72.08148	1.5
73.02927	0.8
73.28423	0.4
79.05489	1.5
81.03414	2.2
81.07047	3.0
83.01096	0.6
83.04977	1.0
83.28927	0.4
85.02903	3.1
85.03338	0.5
85.06545	0.5
86.06065	0.5
86.09711	0.5
91.05473	2.2
93.07034	2.3
94.11433	0.4
95.01073	1.2
95.04955	1.5
95.08588	2.2
96.01900	0.8
97.02877	2.5
97.06538	1.2
99.04425	0.8
103.05466	1.1
105.07019	2.9
107.04979	0.7
107.08591	1.6
109.02875	1.4
109.06533	0.6
109.10159	1.7
113.02158	1.2
118.04134	0.5
119.04933	1.1
119.08597	1.5
121.06539	0.6
121.10134	1.5
122.10478	0.4
123.04450	1.0
123.08064	0.5
123.11713	0.8
127.03904	2.7
131.04880	2.2
131.08580	0.8
133.06500	1.4
133.10178	1.0
135.11682	0.6
137.06027	1.3
143.08522	0.7
145.05038	0.4
145.10138	1.0
147.04413	3.4
147.08038	0.7
147.11694	0.8
148.04764	0.5
149.06023	0.6
149.13307	0.5
151.07527	0.8
153.01726	0.5
157.04776	0.4
159.11726	0.7
163.03925	0.7
163.07541	0.9
165.09204	0.5
167.07028	3.4
170.99733	0.4
171.11674	0.4
173.09634	0.5
176.04472	1.1
177.05467	0.5
185.04227	2.8
192.35194	0.4
193.08641	1.8
201.03665	2.3
201.05319	1.8
202.06110	0.8
203.05203	3.6
207.06511	0.5
216.07559	11.0
217.08362	2.2
218.11635	0.6
229.08498	0.5
307.06204	0.6
311.05566	4.4
311.08942	0.6
316.05905	0.5
323.05328	0.5
323.09192	0.5
324.06256	1.6
325.07034	0.8
335.09515	0.5
337.07117	1.1
339.08521	3.3
349.10831	0.5
357.09650	0.6
363.08615	0.8
363.40793	0.4
365.13602	5.0
367.11725	0.5
377.10187	0.9
378.11020	0.7
391.11887	0.9
393.13391	4.3
395.10590	2.5
411.14423	2.8
413.16113	2.1
429.15591	1.7
473.10718	0.5
539.31122	0.7
557.16132	2.1
557.32275	1.6
575.20959	100.0
576.21277	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	574.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01431	1.1
53.03945	6.0
55.01862	3.2
61.02917	4.2
65.03921	3.1
66.92668	1.2
67.01820	1.1
67.05497	4.1
68.05003	1.3
69.03423	2.1
69.55264	1.2
70.06570	3.9
71.61973	2.4
71.62352	1.7
72.08150	12.0
75.04462	1.3
77.58872	1.2
81.03419	2.1
84.08127	2.5
85.02874	3.5
86.06049	2.2
86.09701	1.9
91.05483	6.8
93.03391	5.7
93.07040	2.6
95.04964	63.1
97.02882	3.7
97.06521	1.7
98.09679	1.5
101.57171	1.2
103.05460	4.5
105.04493	1.8
105.07015	2.0
106.04164	10.7
107.04970	6.3
108.02110	2.0
110.02427	2.2
110.07149	1.8
111.04427	2.3
114.10258	1.4
115.08634	1.4
119.04926	6.0
121.06503	12.6
123.04422	65.4
125.02396	1.3
125.05991	2.6
127.03873	2.2
127.07545	2.1
131.04944	4.1
133.06476	1.2
134.03651	1.8
137.05978	3.0
140.04671	17.9
140.07059	2.8
144.51234	1.3
147.04398	30.8
148.04820	3.5
149.05974	19.3
151.03909	1.9
152.07063	2.5
152.08330	1.2
153.09109	5.3
155.05772	2.2
155.07027	36.5
159.04391	1.8
161.05859	1.2
163.03894	3.8
167.07045	7.4
177.05450	15.5
181.08562	10.4
183.06522	100.0
183.20287	1.2
191.07027	4.4
193.08607	2.7
195.06541	4.4
209.08086	91.6
218.11734	2.0
223.04253	16.8
225.07494	1.6
227.09039	1.7
235.14355	1.6
243.08572	6.5
250.10742	3.8
277.16544	1.8
311.96979	1.3
312.08945	4.7
325.49365	1.2
330.28915	2.7
435.16708	2.0
574.24298	6.1
595.00586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05500	4.8
57.03416	2.8
57.07072	37.5
57.11175	0.9
59.47053	1.1
60.03547	0.9
67.05509	10.7
69.07060	7.1
69.56323	7.7
71.08626	26.2
73.02885	1.1
75.04461	2.2
75.60226	0.8
79.05471	2.8
81.07052	13.1
83.08616	11.8
85.10175	16.3
91.05471	1.4
93.07024	2.1
95.08598	21.1
97.10163	5.5
98.21425	1.6
98.24194	0.8
100.90981	0.9
105.07062	1.5
107.08549	1.0
109.02866	3.3
109.10145	11.9
110.03654	1.3
111.11687	1.5
119.08541	1.1
121.10144	1.4
123.11714	4.5
127.03882	1.6
131.08574	1.2
137.13245	2.2
149.13290	1.0
154.78963	1.0
184.07338	2.7
191.00056	2.3
207.37190	1.0
235.15251	0.8
239.23676	27.0
246.70572	0.9
257.24704	4.0
298.27206	2.0
312.10620	0.8
313.27347	100.0
319.14691	0.9
331.28406	20.5
539.28802	3.3
573.48816	1.6
574.24518	1.4
574.48981	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	575.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99444	0.7
60.86190	0.9
69.03435	0.8
70.06580	1.5
70.31177	3.4
70.31526	1.0
72.08141	0.9
81.03417	0.9
82.99884	2.1
84.08106	1.2
84.96036	0.8
85.02886	2.2
98.97579	2.9
100.07616	0.9
101.00870	3.5
116.07079	2.4
116.98593	1.8
118.97400	0.8
119.01913	14.6
121.01640	1.8
128.98622	1.3
131.00209	0.9
131.01874	3.5
133.03482	2.0
137.02943	2.2
138.05495	1.5
139.02457	0.9
140.40050	0.7
142.01123	4.5
143.00113	0.9
143.01880	13.5
145.01669	0.9
145.03432	9.5
146.08122	2.0
146.99672	0.9
147.04361	0.9
149.03000	1.3
155.01881	7.1
157.03445	43.1
158.03609	0.8
158.99606	1.1
159.03236	1.4
160.02161	6.5
161.01538	1.3
161.02931	21.2
162.03056	1.6
163.02676	2.0
163.04543	1.7
167.01868	4.7
169.03430	3.2
170.99695	1.0
171.05043	3.1
173.01363	1.5
173.02934	17.4
175.02983	1.6
175.04509	41.6
177.04189	1.7
179.01901	2.4
185.02942	33.2
186.03127	1.6
187.02725	4.6
187.04503	20.3
189.00645	1.2
189.04428	0.9
191.04015	2.5
197.02946	10.4
198.06104	2.0
199.02774	1.4
199.04514	1.9
201.00671	2.9
201.06021	1.2
203.03983	12.4
205.03789	3.2
205.05563	2.0
211.04492	1.1
215.04007	9.2
217.05547	12.9
219.01778	2.5
219.05363	0.9
221.05112	1.2
227.04016	7.2
229.05624	1.3
232.92250	7.0
233.03133	1.5
233.05112	1.5
237.02780	1.6
239.03970	1.0
241.05560	2.2
243.01762	1.1
245.05051	100.0
246.05241	3.2
247.04564	6.3
247.06805	2.5
251.04457	2.0
257.05066	5.2
259.06586	4.9
261.02774	3.6
263.06125	11.6
265.05557	1.0
275.06131	60.4
276.06226	1.1
277.05594	0.8
279.03882	3.5
287.06128	4.8
289.07678	1.8
292.93225	1.7
293.07303	14.7
305.07169	33.0
306.07391	0.8
307.06955	2.2
316.08859	1.8
317.07230	1.3
319.08585	0.9
321.04959	1.8
323.08200	3.1
335.08234	15.2
347.08054	1.0
351.06693	0.8
353.09250	2.7
365.09235	23.2
366.09308	1.3
367.09122	4.8
377.09238	6.4
383.10184	1.7
395.10571	3.8
399.08221	1.3
413.10956	1.2
437.10876	1.3
441.09039	2.0
455.24335	0.9
557.14990	6.5
575.14984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63781	0.3
53.03922	0.4
55.01863	0.6
55.05483	0.4
59.92089	0.3
65.03941	0.6
69.03417	2.0
69.07088	0.3
70.06590	3.9
72.08143	0.4
76.47954	0.4
77.03923	0.4
81.03416	4.2
81.07034	0.5
84.08119	1.8
85.02906	2.6
85.39603	0.3
86.06059	0.6
86.09698	0.5
86.36666	0.3
91.05475	13.1
95.04935	1.0
95.08595	0.4
96.04492	0.5
96.08138	0.4
96.38239	0.3
97.02869	1.8
97.06541	0.5
98.09676	1.7
99.04446	0.4
103.05424	0.7
105.03413	0.5
105.07008	0.7
107.04964	0.6
107.08567	0.5
109.02865	1.8
109.10160	0.7
112.07581	2.3
114.05462	0.5
119.04931	20.4
121.02854	0.7
123.04404	0.7
124.03948	0.6
127.03932	1.9
129.03351	0.4
132.02051	0.7
132.04440	6.2
133.10051	0.5
135.04367	0.4
140.07045	1.9
144.10262	0.4
147.04398	20.0
149.02332	0.7
149.93901	0.4
151.07529	0.6
157.03961	1.2
158.08104	0.4
160.03923	0.5
162.03020	0.4
163.03993	0.4
164.04706	0.6
167.07027	0.4
175.03889	35.5
176.04161	0.6
178.04977	54.5
179.07030	1.2
206.04468	87.9
207.06509	100.0
208.06847	0.9
225.07536	0.7
271.05896	0.4
287.05414	0.4
288.14240	0.5
310.07709	0.5
323.08191	0.5
335.09079	0.7
351.10757	6.8
368.09662	2.0
369.11755	6.0
394.13605	0.4
412.14548	0.8
455.12686	0.6
556.18018	0.7
574.16840	1.9
574.26398	0.9
574.34479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3416
Annotation	13beta-Hydroxymilbemycin D
Peak:m/z	Relative Intensity
53.03929	4.4
55.01869	10.4
55.05508	27.6
56.38052	0.9
57.03430	4.6
57.07062	1.9
59.04980	2.6
65.03939	2.4
67.05504	31.8
69.03427	8.8
69.07068	25.7
70.91037	3.1
71.04984	4.4
71.08622	1.2
73.19096	0.9
79.05487	35.6
80.26588	0.9
81.03413	11.3
81.07053	30.5
83.01328	4.5
83.04980	13.1
83.08623	12.7
85.02885	2.4
85.06540	1.9
91.05477	26.8
93.07038	33.1
95.04972	16.3
95.08602	17.0
95.28706	0.9
97.02901	10.8
97.06535	7.1
97.10162	10.2
103.05428	1.2
105.04533	1.1
105.07021	18.4
107.04943	11.9
107.08586	22.8
109.06506	7.4
109.10143	9.9
111.04463	2.5
111.08078	3.3
115.05464	1.7
117.07008	11.6
119.08575	15.7
121.06490	4.4
121.10149	9.2
123.04404	1.5
123.08047	8.1
123.11678	1.9
125.05972	1.3
125.09622	8.1
128.06166	1.7
129.07030	5.1
130.07768	2.4
131.04860	1.2
131.08569	10.2
133.06470	3.4
133.10118	7.0
135.08060	4.8
135.11694	9.4
137.09633	3.5
141.06982	1.3
143.08623	4.8
143.09550	0.9
145.06508	1.4
145.10120	13.2
147.08115	6.2
147.11678	3.9
149.09624	1.7
149.13255	2.7
153.12764	3.0
155.08705	1.7
157.10112	3.8
159.08023	1.5
159.11711	4.4
161.09605	3.9
163.11179	12.6
165.09097	2.0
171.11684	3.1
173.09605	1.7
173.11841	1.3
173.13171	1.0
175.11227	1.2
177.12776	2.7
181.10187	1.2
181.12193	2.8
185.13304	1.9
189.11208	4.5
189.12711	1.3
191.10693	1.6
192.35681	1.0
195.11937	1.1
195.13814	2.2
197.13217	1.5
205.12257	1.8
209.11739	3.1
223.13261	16.9
227.12733	5.6
245.19002	1.3
249.14996	2.4
255.17534	1.7
273.18475	15.8
275.20004	2.5
283.15414	2.6
291.19534	97.0
297.88757	1.0
347.22147	2.2
365.23267	1.9
385.54294	1.1
389.65622	1.1
411.14090	1.6
474.67563	1.0
481.20786	1.0
541.34698	1.9
545.34875	1.4
555.33527	2.3
573.34149	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	573.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.7
53.03937	0.5
55.01857	1.2
55.05491	1.3
57.03415	1.0
59.04999	0.3
61.02913	1.7
62.85240	0.3
63.54816	0.3
69.03428	5.7
70.06597	2.2
70.79768	1.2
71.04984	0.5
72.08153	16.2
73.02909	0.8
79.45871	0.3
80.01361	0.8
81.03404	2.0
82.02934	3.9
83.01328	0.4
83.04983	0.5
84.08133	1.5
85.02900	9.9
86.09719	0.8
87.04459	0.9
89.10768	0.6
91.05461	0.7
95.04976	0.8
95.08594	0.3
97.02884	3.5
98.02405	3.5
98.06026	0.9
99.04425	0.9
103.03971	0.5
107.00782	0.3
107.04947	1.0
109.02873	1.2
110.02395	100.0
111.02705	0.4
111.04441	0.6
117.03364	1.0
119.04941	1.7
121.02861	0.7
123.04424	0.3
127.03920	2.5
128.03415	0.4
131.04959	0.7
137.06010	0.6
145.02846	2.6
145.04929	1.1
145.06483	1.2
147.04404	4.9
149.05956	0.4
151.08699	0.3
152.07057	48.3
153.07330	0.4
163.03925	0.5
163.07518	0.4
165.07083	0.6
169.09714	30.8
170.08142	0.4
170.10176	0.5
175.07547	1.1
177.05463	4.3
183.08081	1.1
211.07578	1.2
211.10727	0.6
218.11830	0.6
235.14459	0.4
237.09213	0.5
243.10184	1.1
247.10843	0.4
257.04764	0.3
265.15417	0.4
267.10226	0.6
307.12958	0.5
343.15057	1.1
381.17984	1.8
394.16623	1.1
411.19110	46.9
412.19730	1.2
451.17163	0.9
453.20206	1.8
489.20200	2.0
519.21283	1.0
537.22296	0.8
555.23334	2.2
573.24426	29.1
574.24725	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3032
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.52320	0.5
53.03942	0.6
55.05501	3.7
57.03425	5.1
57.07072	23.9
63.91300	0.6
65.03935	0.6
67.05496	7.2
69.07063	4.7
71.04985	0.8
71.08628	17.7
71.11094	0.6
71.62482	1.0
79.05489	1.7
81.03411	3.0
81.07050	10.0
81.64634	0.7
83.08607	5.2
85.09701	1.1
85.10174	9.8
86.09671	1.1
89.06027	0.9
91.05460	1.2
93.07030	2.6
95.08594	11.7
97.10146	2.8
98.98457	21.2
99.08047	0.6
105.07027	1.5
107.08598	1.7
109.02865	2.5
109.10145	5.7
111.11725	1.1
116.99487	1.4
117.06983	0.7
119.08559	1.3
121.10143	1.4
123.11736	1.8
125.00068	0.7
127.96289	0.5
129.87541	0.5
131.08618	1.2
133.10184	0.8
135.11653	0.9
137.13158	1.1
143.66017	0.5
149.13031	0.6
151.14644	0.5
155.01025	19.7
165.77560	0.5
173.02164	1.4
184.07306	3.3
187.14868	0.7
217.68385	0.7
239.23657	4.3
261.03720	0.9
289.74216	0.6
301.29935	0.6
313.27338	100.0
314.27609	1.1
317.06366	2.7
335.07413	1.6
350.44482	0.6
391.76547	0.7
393.23969	4.6
401.29126	2.7
403.32248	0.6
408.52432	0.6
503.90897	0.6
537.28235	3.0
555.27606	0.6
573.48621	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	573.1966
Annotation	Dehydrodalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03971	0.7
54.87817	0.2
55.01898	0.6
55.05530	0.6
55.89835	0.2
57.03459	1.1
61.02950	0.9
65.03954	0.3
67.05491	1.2
69.03426	4.5
69.07105	1.0
69.35431	0.2
69.35749	2.7
70.06603	0.5
71.05023	0.7
73.02946	0.8
79.05511	0.6
81.03410	2.4
81.07034	1.5
83.05011	0.4
83.08639	0.3
85.02895	7.1
85.06575	0.6
87.00865	0.3
87.04507	0.7
91.05528	0.8
93.07096	0.7
95.08598	1.5
97.02869	3.1
97.06569	0.5
99.04497	0.9
105.03435	0.3
105.07089	0.8
107.04971	0.6
107.08631	0.8
109.02867	2.1
109.06552	0.3
109.10193	0.9
115.03954	0.3
117.07063	0.3
119.04977	0.3
119.08631	0.8
121.02876	0.3
121.06530	0.4
121.10198	0.7
123.04424	1.5
123.08138	0.3
123.11722	0.4
124.04015	0.5
127.03896	3.4
129.07053	0.4
131.08627	0.3
133.02896	0.4
133.06525	1.1
133.10143	0.5
134.03694	0.6
135.04434	0.4
135.11710	0.5
137.02382	0.4
137.06007	0.4
139.03935	0.3
142.07855	0.2
143.08614	0.3
145.05006	1.0
145.06517	0.5
145.10170	0.6
147.04410	0.6
147.11688	0.4
148.05243	0.3
149.06029	0.5
149.13246	0.3
151.03972	0.7
151.07568	0.4
153.01898	1.0
157.10162	0.2
159.03064	0.4
159.08006	0.4
159.11705	0.3
163.04007	0.4
163.07780	0.3
163.11281	0.3
167.07039	0.6
170.07350	0.3
173.05959	0.3
175.03922	0.3
175.07524	0.4
175.11136	0.4
175.12550	0.3
175.14706	0.2
177.05524	0.4
181.04944	0.2
181.06561	0.3
187.11214	0.3
189.09111	0.6
191.03371	0.3
199.03889	0.3
199.07571	0.3
201.05589	0.4
203.07016	0.4
205.04779	0.3
213.05521	0.7
219.10129	0.3
220.03548	0.3
226.06325	0.4
227.07076	0.8
229.05038	0.4
233.04338	0.3
245.08055	0.4
247.06104	0.8
251.07120	0.4
255.06552	0.5
261.09198	0.3
262.08508	0.3
265.08994	0.3
267.06729	0.6
267.16931	0.4
268.08191	0.3
271.06055	0.8
279.06616	0.7
279.10175	0.3
283.06070	0.5
287.05804	0.4
289.08524	0.5
293.08087	0.5
294.12549	0.3
295.06186	0.4
295.09488	0.4
296.06729	0.4
303.10208	1.0
304.11075	0.4
305.08261	0.3
305.11923	0.3
307.06369	0.4
307.09732	1.1
307.26346	0.7
308.06757	0.7
309.07657	0.4
311.05530	0.7
313.07104	1.1
315.10211	0.4
317.08136	0.4
319.06049	0.5
321.07556	0.7
321.11252	0.9
321.52740	0.3
322.12021	0.4
323.05609	0.7
323.09097	0.8
324.06247	7.3
325.06940	0.7
325.14285	0.3
326.07877	0.3
327.08603	0.3
331.09485	0.5
332.10583	0.6
335.05511	0.5
335.09015	2.4
336.06277	2.0
336.09869	0.5
337.07077	0.6
339.08588	9.9
341.06482	1.1
343.09598	0.9
345.07288	0.5
346.07846	0.3
347.12769	0.3
349.07120	0.9
349.10846	0.5
350.07846	1.2
350.11511	0.5
351.08572	2.6
351.12234	0.4
353.10150	0.5
359.09259	0.9
360.09885	4.1
361.10599	0.7
362.07861	0.3
363.08603	5.8
364.09308	0.9
365.10049	1.6
365.13843	0.4
375.12253	6.8
377.10294	1.2
378.10977	11.9
379.08218	0.7
381.09402	0.4
383.11069	0.4
393.13312	53.7
394.13705	0.5
396.12140	0.5
411.14349	100.0
412.14334	0.5
468.17136	0.4
486.95334	0.3
555.15100	1.3
573.19904	1.6
573.33234	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	573.196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03933	2.2
55.01861	4.4
55.05492	0.7
57.03427	3.5
61.02917	2.2
67.05489	2.9
68.06345	0.4
68.99432	0.6
68.99783	11.5
69.03420	19.7
69.07040	0.4
69.25614	0.4
69.33862	3.3
69.34270	1.3
71.01350	0.7
71.04993	2.1
73.02911	4.4
73.73286	0.3
79.05476	2.1
81.03406	16.2
81.07050	11.8
83.01346	0.6
83.04936	0.5
85.02895	21.7
87.00826	8.1
87.04453	0.6
91.03928	1.0
91.05463	4.2
93.07040	5.2
95.04956	4.5
97.02881	8.7
99.04436	5.9
101.02370	1.0
103.03918	1.5
103.05450	3.6
105.01864	5.0
105.07018	5.7
107.04939	5.2
107.08563	1.3
109.02870	16.5
109.06518	2.4
115.00647	0.4
115.03908	0.7
115.05446	1.6
117.01817	1.0
117.06993	1.5
119.04904	2.1
119.08565	4.7
121.06487	15.1
121.10133	5.9
123.04413	100.0
123.84710	0.5
127.03903	24.5
128.06172	3.2
129.01773	2.2
129.06975	1.1
131.04897	1.8
131.08553	1.8
132.05685	0.5
133.06488	5.9
133.10120	3.1
135.04359	2.7
135.08037	0.9
135.11707	0.7
137.05949	1.9
142.07791	1.0
143.08537	8.5
145.04935	7.9
145.06459	6.1
145.10127	1.3
146.07239	2.1
147.02896	1.6
147.04382	8.8
147.08023	2.3
147.11700	0.6
149.05962	75.0
151.07516	0.6
155.08548	0.6
156.09387	0.5
157.06459	0.7
157.10054	1.3
158.07217	0.4
159.02881	6.7
159.04199	0.4
159.08002	1.2
160.05193	1.5
161.05968	9.5
161.09604	9.9
162.06729	0.6
163.03888	0.8
163.07494	0.9
165.05461	6.8
167.07103	0.7
167.08508	0.6
169.10243	0.6
171.02922	0.5
171.08029	16.4
172.08731	0.6
173.05975	5.0
173.09607	0.7
174.06741	13.8
175.03888	4.1
175.07512	3.5
175.11118	2.1
183.07976	0.8
185.05945	1.2
185.09564	1.0
187.05972	2.4
187.07330	2.5
187.11150	1.9
188.08067	1.5
189.05592	2.7
189.09084	79.8
191.07091	0.9
191.10629	1.8
197.09679	0.7
199.07458	0.9
200.08238	1.7
201.05486	0.9
201.09120	2.0
203.10643	36.5
211.07541	0.6
211.14668	0.5
213.03943	1.4
213.09053	1.9
215.10634	9.6
227.10684	1.1
231.04799	3.9
231.06935	0.6
231.10085	4.3
255.10136	1.3
269.11932	0.5
271.09622	1.3
279.09988	1.0
280.55630	0.4
297.11197	2.3
307.13297	0.7
309.11176	2.7
310.11526	4.4
311.09097	8.1
311.12790	1.6
323.12711	0.7
325.14294	73.5
326.14624	0.7
335.09146	0.8
337.14267	0.8
349.14346	6.3
353.09970	0.7
355.08206	0.6
367.15363	20.8
371.25858	0.4
391.15359	6.8
393.14059	0.9
411.14322	1.9
415.15063	1.0
419.12982	0.7
433.16367	4.4
451.17285	0.7
469.18179	0.5
472.17023	0.7
473.14282	1.3
487.19537	2.1
519.16595	0.6
529.21075	0.8
537.17572	4.5
555.18646	10.3
558.16766	4.7
573.19592	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1961
Annotation	Dehydrodalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03914	0.3
55.01830	0.7
55.05473	0.4
57.03406	0.7
61.02879	1.1
67.05448	1.2
68.99741	1.0
69.03423	5.0
69.07024	1.0
69.49477	2.0
69.49895	0.6
71.01311	0.5
71.04955	0.4
73.02867	1.3
74.69264	0.3
77.18991	0.2
79.05453	0.7
81.03403	2.5
81.07018	0.9
85.02898	7.0
87.00746	0.3
87.04408	0.9
91.03920	0.3
91.05430	0.7
93.07001	0.6
95.04913	1.1
95.08572	0.5
97.02881	2.7
98.20665	0.3
99.04398	0.9
105.01817	0.6
105.06988	0.7
107.04899	0.6
107.08545	0.6
109.02882	1.7
109.10091	0.3
115.05454	0.3
119.08565	0.4
121.06477	0.6
121.10083	0.3
123.04415	12.0
127.03898	3.5
129.06984	0.3
131.08458	0.5
133.02780	0.3
133.06422	0.4
133.10133	0.4
134.03566	0.6
135.04340	0.9
137.02254	0.3
137.05888	0.3
143.08490	0.4
145.04887	1.2
145.10120	0.4
147.04381	1.3
147.07880	0.3
149.05968	2.6
149.57317	0.3
151.03902	0.6
159.02834	0.4
159.08038	0.4
161.05911	0.7
163.03751	0.3
163.07545	0.8
167.07007	0.3
169.06563	0.3
170.07158	0.3
173.09549	0.9
175.07484	0.3
181.09595	0.4
187.07329	0.3
189.09064	0.5
191.10655	14.6
195.08023	0.3
199.07480	0.6
199.30974	0.3
201.05377	0.4
205.08560	1.7
213.05417	0.9
215.10608	0.3
216.09340	0.3
226.06282	0.5
227.06941	1.1
229.04912	0.7
229.08406	0.3
241.08475	0.4
247.05978	1.1
261.08923	0.4
269.08038	1.7
279.06512	0.4
289.08612	0.8
293.08047	0.3
296.06927	0.5
303.10034	0.9
304.10907	0.4
307.06094	0.4
307.09659	0.9
310.04617	0.3
313.06726	0.3
321.07434	0.7
321.11151	0.9
323.09064	0.9
324.06213	6.5
325.06949	1.0
325.14282	4.1
326.07996	0.4
327.08975	0.3
332.10406	0.3
335.09064	2.7
336.06235	1.8
336.09695	0.6
337.07166	0.6
339.08594	11.3
339.12732	0.5
341.13782	1.0
343.09525	0.8
345.07513	0.3
349.07150	0.8
349.10739	0.7
350.07797	0.8
350.11688	0.7
351.08594	3.4
351.12259	0.7
353.10065	0.5
355.08118	1.7
359.09076	0.8
360.09824	4.7
361.10495	0.6
363.08578	5.5
364.09470	1.0
365.10199	1.4
375.12289	6.9
377.10236	1.4
378.10944	12.0
393.13272	58.3
394.13626	0.6
395.11316	0.3
396.11987	0.7
411.14331	100.0
412.14648	0.9
415.37637	0.3
517.13300	0.6
555.18341	0.4
573.19464	2.3
573.28888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1962
Annotation	Dehydrodalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03918	0.5
55.01846	0.5
57.03440	1.2
61.02923	1.3
67.05474	0.4
69.03424	5.1
69.68348	0.9
71.01325	0.2
71.04967	0.4
73.02911	0.9
81.03407	1.5
83.01315	0.2
85.02897	10.6
86.32313	0.1
87.04453	0.7
91.03925	0.5
97.02286	0.2
97.02883	3.2
99.04431	0.9
99.30882	0.1
101.02348	0.4
103.03910	0.2
105.03379	0.1
109.02873	1.2
115.03886	0.3
127.03064	0.2
127.03919	2.2
133.02835	0.2
134.03584	0.4
137.05933	0.2
145.04968	1.0
145.06306	0.1
147.04324	0.2
149.05977	0.1
151.03879	0.5
153.31386	0.1
159.04333	0.2
161.05963	0.1
175.03801	0.1
179.03383	0.1
198.06735	0.3
199.07510	0.1
201.05421	0.2
203.03355	0.2
203.06868	0.2
213.05481	0.3
219.08055	0.2
226.06148	0.3
227.07089	0.8
229.04880	0.5
233.04721	0.2
239.06976	0.2
244.07480	0.1
247.05975	0.5
251.06920	0.2
261.09061	0.4
265.08615	0.2
267.06528	0.3
275.10370	0.2
279.06580	0.3
280.07236	0.2
283.06094	0.2
287.10550	0.2
289.08447	0.4
293.07996	0.2
296.06873	0.1
297.07507	0.1
303.10068	0.6
304.10831	0.2
305.08313	0.2
305.11548	0.3
307.06021	0.2
307.09399	0.6
308.06693	0.4
309.07581	0.2
311.05502	0.2
313.07135	0.2
317.07913	0.2
321.07419	0.5
321.11218	0.6
322.12009	0.2
323.05539	0.3
323.09070	0.7
324.06250	5.6
325.06595	0.2
326.07813	0.2
327.08780	0.2
331.09756	0.3
332.10245	0.4
333.11127	0.5
335.05386	0.2
335.09036	2.0
336.06189	1.1
336.09842	0.4
337.06998	0.6
337.10580	0.3
338.07599	0.2
339.08594	8.3
340.09097	0.2
343.09500	0.5
345.07501	0.4
346.08273	0.2
347.08969	0.2
349.07065	0.8
349.10336	0.6
350.07736	0.8
350.11624	0.4
351.08548	2.5
351.12268	0.4
353.10184	0.2
357.10275	0.2
359.09000	0.8
360.09906	3.1
361.10684	0.9
363.08594	4.5
364.09433	0.9
365.10117	1.1
365.14069	0.3
369.09650	0.2
375.07504	0.3
375.12250	6.2
377.10098	0.9
378.10956	10.3
379.11554	0.4
381.09723	0.3
391.11563	0.3
391.55499	0.1
393.13290	34.0
394.13696	0.6
396.12057	0.8
411.14334	100.0
412.14694	1.5
417.12909	0.2
435.14401	0.6
453.15479	0.6
459.14728	0.1
477.15793	0.1
573.19781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1961
Annotation	Dehydrodalpanol O-glucoside
Peak:m/z	Relative Intensity
53.03888	0.6
55.01824	0.6
56.53668	0.2
57.03381	1.6
61.02920	1.9
67.05472	0.5
69.03422	6.9
69.03761	0.3
71.01305	0.4
71.04941	0.6
71.07906	0.4
73.02901	1.2
81.03407	1.9
85.02893	12.5
87.04463	1.2
88.37064	0.1
89.50234	0.2
91.03902	0.5
91.05409	0.3
93.06998	0.2
94.04096	0.2
95.04907	0.2
96.89130	0.2
97.02880	3.6
99.04424	0.8
101.02345	0.2
103.03909	0.2
105.06963	0.2
107.04877	0.2
107.08548	0.2
109.02853	1.1
115.03887	0.3
119.04855	0.2
121.06499	0.2
122.03635	0.3
127.03902	2.2
128.06175	0.2
129.06949	0.3
131.04903	0.4
131.08464	0.2
133.02763	0.6
133.74535	0.2
134.03630	0.2
135.04379	0.2
137.02292	0.4
137.05943	1.2
143.08438	0.4
145.04889	0.9
145.06430	0.2
145.10164	0.2
147.04306	0.3
149.06000	0.3
150.03094	0.6
151.03886	1.4
153.35490	0.2
157.06458	0.5
159.04338	0.4
161.05862	0.3
163.03831	0.5
165.05472	1.8
171.08005	0.5
173.05948	0.3
173.09583	0.3
175.03891	0.2
177.05360	0.2
183.07935	0.3
185.05991	0.4
185.09515	0.2
187.07503	0.4
189.05458	0.3
189.08960	0.2
191.03409	0.4
199.07469	0.4
200.08194	0.5
201.05495	0.3
201.09033	1.5
203.03358	0.5
203.07001	1.8
211.07433	0.2
213.05408	0.5
213.09042	0.4
215.03305	0.2
215.06924	0.3
216.07654	0.2
217.08539	0.2
223.07425	0.4
225.05385	0.2
226.06061	0.4
227.06982	3.5
229.04929	1.7
229.08525	0.6
231.06461	0.6
235.07466	0.2
237.09125	0.2
241.08385	0.3
244.07272	0.4
245.08054	0.8
247.05936	0.5
249.09033	0.2
251.06795	0.2
253.04930	0.3
255.06296	0.3
262.08313	0.2
263.06799	0.2
265.08560	0.2
267.06592	0.2
272.08197	0.2
275.06924	0.2
277.08588	0.2
279.06351	0.4
279.10043	0.4
280.07275	0.3
281.08008	0.3
285.07614	0.4
287.10641	0.4
289.08459	0.7
293.08026	0.5
293.11581	0.4
295.06122	0.3
295.09412	0.4
297.11224	0.3
298.04681	0.3
303.10150	0.5
304.11063	0.3
305.11710	0.7
307.05954	0.5
307.09637	1.8
308.06812	0.5
309.07492	0.2
310.08261	0.6
311.05490	0.2
311.09030	0.3
312.06290	0.3
313.06894	0.9
315.10083	0.3
317.07971	0.5
318.08624	0.4
319.09576	0.2
319.13278	0.4
321.07797	1.2
321.10559	1.1
322.08234	0.4
322.11969	0.5
323.05621	0.2
323.08942	0.9
324.06241	2.9
325.07016	0.5
325.10660	0.7
327.08600	1.4
331.09619	0.6
332.10468	1.0
333.07574	0.2
333.11206	0.6
334.08426	0.2
335.05786	0.3
335.09109	7.0
336.06186	1.3
336.09793	0.6
337.06998	0.4
337.10538	0.3
337.14316	0.5
339.08554	4.9
342.08926	0.3
343.09634	0.2
345.07584	0.8
346.08258	1.1
347.09045	0.4
347.12781	0.6
349.07169	1.4
349.10324	1.2
350.07553	1.0
350.11237	0.9
351.08572	2.6
351.12228	0.3
353.09973	0.3
357.11194	0.2
359.09134	0.7
360.09897	3.4
361.06775	0.3
361.10657	2.3
362.07785	0.3
363.08560	9.7
364.09180	1.0
365.10098	0.7
365.13977	0.6
375.12231	4.6
377.10129	2.8
378.10934	12.8
381.09619	0.2
391.11572	0.8
393.13263	94.0
394.13672	1.9
396.11966	0.2
411.14322	100.0
412.14636	2.5
417.13248	0.5
435.14365	2.5
453.15311	0.6
555.18536	2.2
573.19586	14.6
574.19653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.196
Annotation	Dehydrodalpanol O-glucoside
Peak:m/z	Relative Intensity
55.01870	0.2
57.03424	0.4
67.05515	0.4
68.75762	0.2
69.03422	1.1
69.07087	0.2
69.32701	2.5
79.05455	0.3
81.03417	0.7
81.07030	0.4
85.02889	2.0
87.04461	0.3
91.03915	0.3
91.05460	0.3
95.04968	0.3
97.02885	1.3
98.21513	0.4
99.04455	0.3
105.03361	0.2
107.08593	0.4
107.79856	0.2
109.02865	0.6
115.05358	0.2
119.01267	0.2
119.08566	0.2
127.03914	1.2
133.02827	0.3
134.03581	0.4
134.89656	0.2
135.08099	0.2
137.05975	0.6
145.04935	0.4
145.10161	0.2
147.04399	0.6
149.05922	0.2
151.03883	0.5
161.05954	0.3
167.07042	0.3
169.06281	0.2
177.05421	0.3
187.03848	0.2
198.06784	0.4
201.05496	0.4
203.03334	0.2
203.06886	0.3
213.05644	0.5
223.07500	0.2
226.06119	0.2
227.06940	1.1
229.04909	0.6
245.08260	0.3
247.05998	0.8
257.32541	0.2
262.08438	0.5
267.06424	0.4
268.07370	0.2
279.06641	0.4
279.09912	0.2
287.10706	0.3
289.08560	0.7
295.06277	0.3
296.06723	0.3
303.10123	0.8
305.11877	0.3
307.09656	0.8
308.06760	0.7
317.08087	0.3
318.08929	0.2
319.06046	0.2
319.09702	0.3
321.07449	0.7
321.11234	0.8
322.12003	0.3
323.05667	0.3
323.09146	0.7
324.06241	6.5
326.08002	0.4
327.08704	0.4
332.10391	0.6
333.10986	0.4
335.05511	0.4
335.09036	2.3
336.06268	1.8
336.09814	0.4
337.07285	0.5
338.07852	0.3
339.08594	10.4
339.76324	0.2
343.09683	0.6
345.07446	0.4
347.12845	0.3
348.05954	0.3
349.06870	0.8
349.10770	0.6
350.07834	1.3
350.11566	0.4
351.08624	3.3
351.12332	0.6
353.10239	0.5
359.08972	1.1
360.09891	3.9
361.10547	0.5
363.08591	6.1
364.09262	1.2
365.10162	1.2
365.14252	0.4
369.09485	0.4
375.12253	5.7
377.10059	1.1
378.10953	11.5
383.11414	0.3
393.13290	37.7
394.13721	0.5
396.11847	0.9
411.14340	100.0
412.14587	1.0
558.99500	0.2
573.18787	1.8
573.26947	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	573.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01873	2.7
55.05512	0.7
57.03420	2.0
61.02912	1.7
61.59980	0.4
65.03934	0.6
67.05495	2.8
68.99423	0.8
68.99782	9.0
69.03074	0.9
69.03424	13.5
69.69167	2.3
69.69579	0.9
71.04968	1.5
73.02912	3.1
73.65955	0.5
74.59088	0.5
79.05488	2.9
81.03409	11.2
81.07050	9.2
82.47704	0.4
83.04920	0.6
85.02898	17.7
87.00803	2.6
91.03953	0.4
91.05480	3.2
93.07037	4.5
95.04963	3.3
95.08597	1.1
97.02883	6.7
99.04445	3.3
103.03944	1.2
103.05442	2.9
104.32377	0.5
105.01870	3.5
105.07024	5.8
107.04932	3.6
107.08573	1.2
109.02868	8.2
109.06486	1.6
109.10172	0.6
111.46038	0.5
115.05458	1.2
117.07030	1.3
119.04906	1.2
119.08572	2.9
121.02869	1.2
121.06497	11.4
121.10131	5.1
123.04417	100.0
124.04775	1.6
127.03903	15.1
128.06209	2.6
129.01842	1.3
129.07011	1.0
131.04897	2.1
131.08548	1.4
133.06499	4.9
133.10115	2.7
135.04433	1.2
135.11716	0.6
137.05963	1.0
139.07539	0.5
141.06993	0.6
142.07825	0.7
143.08562	6.6
145.04941	4.3
145.06432	4.0
145.10091	1.5
146.07217	1.3
147.03278	0.6
147.04407	5.5
147.08052	1.3
147.11719	1.0
149.05968	63.6
151.03915	0.5
157.10089	1.0
159.02873	2.8
159.04144	0.5
159.08090	0.9
160.05186	0.8
161.05968	6.7
161.09599	9.5
163.03928	0.6
165.05476	3.1
169.10045	0.9
171.08041	14.0
171.09518	0.8
173.05978	4.7
173.09592	0.7
174.06755	11.8
175.03877	5.1
175.07556	2.3
175.11140	1.0
179.08513	0.8
185.05978	0.8
187.05971	1.9
187.07558	2.9
187.11183	1.8
188.08087	1.5
189.05504	2.1
189.09093	81.3
190.09473	0.8
191.06987	0.7
191.10637	1.8
199.07532	0.8
200.08276	1.0
201.05534	1.1
201.09045	0.6
203.10651	26.2
213.03893	0.6
213.09142	0.7
215.10651	7.0
227.10620	0.6
228.79385	0.5
231.04999	1.8
231.10147	1.4
271.09659	0.9
307.13513	0.6
309.11179	2.0
310.11465	3.3
311.09113	10.3
311.12439	0.5
324.12894	0.5
325.14313	52.7
329.10101	0.7
337.14398	0.6
349.14230	2.4
353.31677	0.5
367.15332	8.1
378.10867	0.8
391.15393	2.6
393.13489	1.6
411.14377	3.0
433.16516	1.9
473.14624	1.6
487.19604	3.6
529.20605	3.7
537.17743	1.9
555.18713	3.6
558.16913	5.4
573.19617	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	6.5
67.05828	2.0
69.07048	3.2
71.64462	2.4
79.05480	5.5
81.07047	3.3
89.06021	51.5
91.05521	1.8
93.07037	2.5
95.04933	3.3
103.05458	10.2
105.07025	100.0
107.07072	4.6
107.08601	2.5
129.06967	2.5
130.08633	2.6
133.08586	54.4
134.28227	2.0
148.25844	2.3
149.05989	2.8
189.09981	2.4
193.10098	2.1
206.10872	2.6
207.11636	5.2
245.77986	2.4
249.12686	16.8
270.77142	1.9
301.15820	2.9
327.17514	21.5
329.17468	6.0
335.87683	2.0
381.93625	2.1
405.22107	53.5
433.23724	40.7
433.29523	2.6
537.29968	61.4
572.35028	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	572.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01863	12.2
55.05510	1.9
57.03420	2.2
57.07073	7.7
59.04987	2.8
67.05497	9.5
69.03419	12.1
69.07068	10.4
69.75346	4.7
69.75776	3.8
70.02938	6.6
70.06583	3.4
71.04974	3.2
72.04515	19.1
72.08143	1.8
73.02911	13.2
74.02440	1.5
79.05476	4.8
81.03406	17.1
81.07053	7.8
83.04968	7.4
83.08620	2.6
84.08128	2.0
85.02901	11.1
85.06530	10.9
86.09698	4.1
87.08092	3.9
90.05543	45.3
91.05457	6.2
93.07017	8.8
95.04964	11.9
95.08594	5.1
96.08133	3.3
97.02898	11.6
97.06532	3.5
98.02399	17.7
98.09676	5.6
98.48893	1.1
99.04446	6.6
100.03976	7.6
103.03925	1.5
103.07559	4.3
105.07019	7.6
107.04919	1.4
107.08583	11.5
108.04448	1.4
109.02864	27.4
109.06480	7.2
109.10130	4.7
111.08057	2.2
112.07587	3.4
113.05996	8.7
116.03436	26.0
117.07005	3.5
118.05036	1.4
119.08568	6.1
121.06438	1.6
121.10143	7.8
123.04414	1.4
123.08033	6.2
123.11683	3.2
124.07582	24.4
124.72320	1.2
127.03898	19.2
130.08670	2.0
131.07031	3.2
131.08549	7.3
132.06551	11.6
132.10194	1.9
133.10118	17.1
133.98605	1.2
135.08047	22.2
135.11688	1.3
137.06010	1.3
138.05482	4.9
142.07550	2.0
142.08618	29.8
145.04922	6.6
145.10083	2.3
147.04362	1.5
147.11661	5.7
149.09569	2.7
149.13271	5.9
152.65244	1.2
153.09138	1.3
156.10185	3.6
158.04428	1.5
158.10857	2.0
160.09712	9.0
161.09717	1.3
163.14742	1.2
166.08632	5.6
167.06926	1.8
172.09641	4.8
173.13290	10.7
174.11310	5.7
181.04941	3.8
184.09668	41.8
187.05922	2.9
191.14287	40.0
193.08707	1.5
198.07587	3.2
199.06049	7.3
202.10724	100.0
203.11371	2.3
206.90341	1.3
209.15335	1.8
209.27429	1.2
211.09695	9.1
216.08640	3.5
217.07028	5.0
220.11772	29.9
226.10843	1.5
230.10216	10.4
234.09679	12.6
244.11687	3.3
262.12854	17.6
271.05981	5.3
310.12842	11.0
328.13867	87.1
329.14230	1.8
346.14944	47.9
364.15991	77.7
365.16510	2.0
536.28485	2.1
554.29773	4.5
572.22430	1.7
572.30963	8.9
573.15234	2.6
573.23456	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	571.1804
Annotation	lissoclibadin 3
Peak:m/z	Relative Intensity
53.03925	0.6
55.01839	0.6
55.05483	0.6
57.03399	0.6
61.02887	0.4
62.63471	0.3
65.03937	0.3
67.05457	1.1
68.99748	0.5
69.03423	3.0
69.07021	0.7
70.06545	0.8
71.04934	0.8
71.62615	0.3
72.08102	0.9
74.67053	0.2
79.05445	0.8
81.03414	2.0
81.07053	1.7
82.94214	0.2
83.04927	0.4
83.05978	0.3
84.08113	0.6
85.02895	3.5
85.06536	1.3
86.09676	0.3
87.00836	0.3
87.04409	0.3
91.05460	1.3
93.07009	1.4
95.04919	1.2
95.08588	1.4
97.02381	0.3
97.02873	2.8
97.06505	0.6
99.04404	0.8
99.08060	0.5
103.03941	0.3
105.01856	0.4
105.07001	1.5
106.04115	0.3
107.04905	0.5
107.08559	1.5
109.02885	2.1
109.06464	0.6
109.10117	0.8
110.05991	0.3
111.04434	0.3
111.40840	0.2
112.07632	0.3
115.03922	0.4
115.05435	0.5
119.04883	0.5
119.08540	1.2
121.02821	1.2
121.06451	0.7
121.10081	1.1
123.03564	0.4
123.04413	6.6
123.08006	0.5
124.03894	0.3
127.03893	3.7
128.06099	0.4
129.05405	0.2
129.06978	0.3
129.10248	0.3
131.04890	0.7
131.08554	0.7
133.02834	0.3
133.06467	0.5
133.10068	1.1
133.86696	0.2
134.03555	0.3
135.04338	0.7
135.08025	0.4
135.11650	0.5
136.04941	0.2
136.07541	0.2
137.02293	0.7
137.05969	1.6
137.09590	0.3
139.03873	0.4
141.05489	0.3
141.06799	0.3
143.08525	0.7
145.04901	0.6
145.06384	0.5
145.10078	0.6
147.04405	3.6
147.07907	0.7
147.11641	0.6
149.02242	0.3
149.05928	0.3
149.09616	0.5
149.13167	0.6
151.03813	1.0
153.01805	0.9
153.05409	0.4
155.04794	0.3
158.07130	0.3
159.02850	0.4
159.04355	0.3
159.08018	0.5
159.11679	0.6
161.05905	0.7
161.09586	0.7
161.13232	0.4
163.03819	0.6
163.07451	0.4
165.05486	0.4
167.07040	3.6
171.02881	0.4
171.08043	1.4
173.05954	0.5
174.06624	0.5
175.07513	0.6
175.14758	0.3
177.05389	0.5
179.03319	0.7
179.06998	0.3
179.10684	0.4
180.10066	0.3
183.08029	0.4
186.06743	0.4
187.07495	0.5
189.09097	7.2
191.03316	0.5
195.02823	0.5
197.11659	1.0
198.06705	0.4
199.03865	0.3
199.07460	1.0
201.05479	1.2
201.09082	0.4
211.07520	0.6
212.08270	0.3
212.30179	0.3
213.05484	0.4
213.09013	0.5
214.06218	0.7
217.04869	0.3
219.02866	0.5
225.05461	0.3
227.06924	0.7
229.04857	1.1
231.06555	0.3
232.07159	0.4
239.06972	0.7
241.04971	0.3
242.05737	2.0
243.06454	2.0
244.07092	0.3
245.08017	0.4
249.08908	0.3
255.06508	1.4
259.05887	0.5
259.09506	0.4
259.20493	0.9
260.06818	1.4
261.03867	0.6
261.07675	0.6
264.07822	0.3
264.11493	0.4
271.05997	0.4
275.10568	0.5
277.08533	0.6
279.06528	0.3
280.07242	0.4
289.08600	0.4
291.07053	0.3
291.10104	1.5
292.07706	0.4
292.10938	0.9
293.07983	0.4
302.09296	0.4
303.10138	1.0
305.08231	1.9
305.11249	0.4
307.09592	0.7
309.07431	0.3
311.05435	0.6
319.06070	0.5
319.09592	4.5
320.10379	1.3
323.09171	0.4
323.12692	3.6
324.06183	0.4
325.06961	0.6
329.08002	0.3
330.08905	0.7
331.09467	0.8
333.07486	2.1
334.08105	0.3
335.09158	1.2
337.07068	0.6
337.10654	0.3
339.07379	0.5
346.08408	0.3
347.09094	1.8
348.06149	2.3
348.09888	4.3
351.08557	0.5
358.08176	0.3
359.09100	1.0
359.16699	0.4
361.06982	1.8
361.10757	0.3
362.07681	0.5
363.08514	7.0
363.12256	0.6
364.09250	0.8
366.07184	0.3
375.08600	3.2
376.09372	37.7
377.10043	3.6
378.10938	1.5
389.09927	0.5
391.11722	50.4
392.12143	1.6
394.10446	12.0
395.11063	0.4
407.11044	0.3
409.12778	79.4
410.13031	2.2
425.12183	0.3
487.12997	0.3
515.21222	0.3
553.17053	1.4
571.18030	100.0
571.30652	3.1
572.18439	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	571.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
54.31508	0.3
55.01859	1.6
55.05496	2.1
57.03431	2.5
59.04985	0.4
61.02907	1.5
65.03921	0.7
67.05494	3.4
68.99777	2.7
69.03424	11.9
69.07047	1.2
69.47890	4.1
70.06583	0.7
71.01338	0.9
71.04974	1.8
72.08160	0.7
73.02907	2.9
79.05475	1.4
81.03410	9.3
81.07058	3.8
81.99122	0.4
83.01349	0.6
83.04980	2.4
84.08140	0.5
85.02898	15.1
87.00808	1.8
87.04440	1.1
91.05482	7.0
92.05772	0.7
93.07043	1.9
95.04967	3.5
95.08588	2.2
97.02885	6.6
97.06537	0.6
99.04467	3.3
103.03931	1.9
103.05453	1.9
105.01842	1.9
105.07034	3.0
107.04929	1.6
107.08582	2.1
109.02876	7.5
109.06500	1.8
109.10152	1.8
111.04418	0.7
111.08080	0.5
115.03914	0.5
115.05443	1.5
116.06227	1.0
117.06999	2.0
118.04139	0.8
119.04980	0.6
119.08568	2.2
121.02852	0.8
121.06477	1.6
121.10132	2.0
123.04419	70.5
123.11719	0.8
124.05202	0.4
125.06033	0.7
127.03914	13.2
128.06221	0.7
129.06970	3.0
130.07841	0.6
131.04926	1.8
131.08563	2.8
132.05667	0.5
133.06496	2.4
133.10109	1.5
134.06871	0.5
135.04416	1.6
135.08066	0.5
135.11751	0.8
137.05959	1.5
141.06967	1.4
142.07790	1.3
143.08562	1.4
144.05661	2.3
145.04951	3.4
145.06487	2.6
145.10126	1.6
147.04395	8.5
147.08049	0.7
149.05963	6.2
149.09691	0.5
149.13290	0.5
151.03984	0.5
151.07516	1.3
153.01801	0.5
155.08543	0.6
157.06479	1.2
157.10126	1.7
158.07256	1.2
159.02893	1.6
159.04434	2.8
159.08017	5.4
159.11691	0.7
161.05960	2.4
161.09628	1.2
163.03917	0.6
163.07544	0.7
163.11194	0.5
165.05496	4.3
165.09088	1.1
167.07040	1.6
167.08517	0.5
169.06430	1.1
170.07275	1.2
171.04309	0.7
171.08086	1.2
171.11690	0.5
172.05139	0.9
173.05949	4.3
173.09604	1.4
175.07474	1.1
177.05452	1.3
179.03380	0.7
179.06972	0.6
179.10771	0.5
185.05916	2.9
185.09583	3.8
186.06740	4.0
187.07529	90.5
188.08228	3.7
189.05389	0.9
189.09085	5.1
193.08569	6.0
193.12315	0.5
194.08943	3.7
195.08060	0.6
197.06015	0.7
197.11714	1.9
198.06816	2.9
199.07538	1.5
200.08308	1.0
201.09085	75.9
201.59242	0.5
202.09470	1.3
203.10681	1.4
205.05034	0.6
211.07605	0.6
213.09090	15.0
215.07060	0.4
215.10666	1.7
217.08569	0.8
225.09053	0.6
227.10651	0.6
229.08607	1.9
231.04977	1.7
247.09593	2.6
255.06714	0.6
271.05759	0.5
273.11261	0.6
277.12283	0.6
295.06125	0.7
295.09555	0.8
305.11722	1.2
305.24881	0.7
311.05734	0.5
313.06958	1.1
322.04718	1.2
323.12747	100.0
324.12912	3.2
325.07034	1.0
335.09076	0.4
337.07230	2.5
337.14304	5.6
339.08575	0.6
347.12720	1.5
351.08475	0.5
351.12277	1.5
353.10291	0.5
363.08286	0.6
365.13855	12.4
379.15421	0.8
383.14954	0.9
389.13855	0.6
391.11441	4.0
394.10611	2.8
409.12796	13.8
410.13248	0.7
431.14954	1.3
449.16141	0.7
467.16922	1.0
485.17947	5.2
499.19379	1.4
527.19196	2.8
553.17694	1.3
571.18024	75.8
571.30957	2.7
572.18097	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	571.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41722	0.2
53.03930	0.8
54.18947	0.2
55.01862	1.4
57.03421	0.6
58.66500	0.2
61.02903	0.7
65.03926	0.6
67.05492	2.9
68.99777	2.5
69.03423	5.4
69.67210	0.5
69.67640	1.0
71.01348	0.4
71.04977	0.6
73.02898	0.8
75.95215	0.2
77.03915	0.2
79.05473	0.5
81.03409	4.0
81.07037	0.6
83.04913	0.2
85.02899	8.0
87.00816	2.5
87.04436	0.2
91.05470	1.6
93.07031	0.6
95.04962	3.9
95.08596	0.4
97.02888	3.0
99.04441	1.4
103.03919	0.4
103.05445	0.4
105.01853	2.2
105.03361	0.3
105.07008	1.2
107.04930	0.9
107.08604	0.3
109.02880	4.6
109.06483	0.2
115.03909	0.3
115.05412	0.4
117.07037	0.4
119.04933	1.1
119.08542	1.2
121.06466	0.6
121.10136	0.6
123.04417	78.2
124.04734	0.4
127.03908	8.1
128.06206	1.9
129.01840	0.6
129.06978	0.4
131.04918	0.7
131.08545	0.4
132.05702	0.2
133.06508	0.2
133.10129	1.0
135.04393	0.9
135.08069	0.2
142.07800	0.2
143.08536	5.7
145.04950	3.1
145.06456	0.8
145.10149	0.4
146.07243	0.8
147.04393	20.5
147.08038	1.3
148.05124	0.7
149.05983	1.8
157.10045	0.2
159.02872	2.3
159.08083	1.0
160.05159	0.5
161.06010	1.4
161.09581	3.1
163.03902	3.1
163.07526	0.3
165.05417	0.6
167.08543	0.3
170.11328	0.2
171.08032	19.9
173.05923	0.5
173.09573	0.4
174.06755	4.4
175.07544	1.4
176.08302	0.2
177.03958	0.2
177.05382	0.3
177.09087	0.5
183.08124	0.3
185.05939	0.4
185.09592	0.9
187.06050	0.4
187.07567	1.6
188.08319	0.7
189.09091	100.0
190.09474	1.1
195.08069	0.7
197.05997	0.3
198.06741	0.8
199.07509	1.8
201.09123	1.3
203.10631	0.8
209.09663	0.2
211.07512	0.3
213.03809	0.3
213.09058	2.6
214.09848	0.4
217.12192	0.3
229.08603	0.4
231.04958	1.7
239.07030	0.3
240.07649	0.3
253.08693	0.3
263.07025	0.4
265.08649	0.2
267.06458	0.3
269.08005	0.2
279.06512	0.3
280.07260	0.5
281.07950	0.3
291.10178	0.3
293.08035	0.6
295.13226	1.0
305.11548	0.3
307.09506	0.5
308.10065	0.6
321.11157	1.3
322.12305	0.3
323.12753	45.3
324.13098	0.7
339.15759	0.5
347.12750	0.8
363.12473	0.2
365.13828	2.3
389.13684	0.6
431.14716	0.5
515.15009	0.6
535.15808	0.3
553.16992	0.7
571.17828	3.3
571.29974	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	571.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57538	1.3
70.31017	6.8
74.85026	1.4
82.54378	1.4
85.02878	4.4
97.02846	2.3
98.21426	1.7
98.97591	2.4
101.00886	4.5
101.31116	1.3
113.00851	1.4
115.02509	1.5
116.98584	1.8
119.01913	26.9
127.02427	1.7
131.01892	8.2
133.03418	2.4
137.02943	5.4
143.01891	17.1
145.03468	9.9
146.99643	2.0
147.01378	2.4
149.02904	3.6
155.01866	10.2
157.03467	8.9
159.05026	1.5
161.01466	2.3
161.02942	33.4
163.04507	3.9
167.01967	3.4
168.99738	3.4
169.03464	3.9
171.05072	2.0
173.02950	29.7
175.04514	3.7
177.00737	2.4
179.02028	1.5
184.04776	1.3
185.02951	44.1
187.00861	5.2
187.04494	4.4
189.00772	2.5
189.02458	3.9
191.04018	5.1
197.02934	16.7
199.00833	2.0
199.04393	1.5
201.02498	2.8
203.03978	16.3
208.04506	1.6
209.02875	2.4
215.00430	8.9
215.03975	11.5
217.01923	5.1
217.03735	1.5
219.01688	2.4
221.05034	3.4
225.02406	1.9
227.04005	10.5
228.55981	1.9
229.01817	1.9
231.03496	4.4
237.02785	2.2
239.03999	2.3
245.05051	100.0
246.05313	1.6
247.02911	9.4
257.05090	4.5
259.02927	3.4
263.06210	14.6
271.03006	4.5
273.04437	1.8
275.02692	3.3
275.06091	13.3
279.03961	1.9
286.07608	2.2
289.04041	6.4
293.07138	3.6
299.02423	2.9
301.04004	2.1
305.07166	10.6
307.05222	8.9
307.08078	1.5
317.07120	1.7
318.58981	2.5
319.05084	4.9
330.06573	2.3
331.05154	7.7
333.06516	1.6
335.08124	5.1
349.06088	14.3
359.04456	2.6
365.09244	20.3
373.05814	1.7
377.05811	3.1
383.10071	2.4
391.07077	9.4
409.08298	4.0
411.09769	1.7
483.11658	1.6
511.11551	12.4
539.10809	3.4
571.13428	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	570.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53517	0.7
57.07082	4.4
58.06603	1.6
62.65000	0.8
65.03197	0.7
67.05482	0.9
69.07069	0.9
70.06587	12.9
71.08626	2.5
71.62076	0.8
78.24935	0.7
85.10182	0.8
88.07623	16.5
89.21157	0.8
91.28960	0.6
95.04958	0.9
95.08573	0.7
102.09172	11.9
105.03378	12.4
113.49108	0.7
124.36576	0.8
149.02333	10.4
149.05963	50.8
178.08669	2.2
181.06419	1.9
193.04910	7.2
222.86406	0.7
222.89713	0.8
256.26334	44.4
297.07574	12.4
341.10162	48.5
408.15002	1.3
553.15643	1.0
570.26935	4.6
570.34222	100.0
571.34497	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	570.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05499	0.9
56.14229	0.3
56.96573	0.3
57.03426	1.4
61.70641	0.4
65.03935	0.5
66.04714	0.7
67.05499	0.8
69.03421	2.1
69.07051	0.4
69.51265	2.6
70.06561	0.6
71.04986	0.9
72.08160	2.2
73.02915	0.5
75.04457	0.3
77.03941	0.3
78.03454	0.6
78.04696	0.3
79.05495	3.3
81.03413	2.2
81.07059	1.8
83.04994	0.6
84.08141	0.6
85.02900	2.9
86.09681	0.7
89.03918	0.3
89.10810	0.6
91.05478	6.6
93.07036	1.1
94.04169	0.4
95.04955	1.2
95.08593	1.1
96.04436	0.3
97.02891	5.9
97.06544	0.3
103.03957	0.5
103.05466	4.3
104.06237	0.4
105.03429	0.3
105.07027	12.3
106.02899	2.5
107.04945	1.7
107.08582	1.3
109.02864	2.6
109.06511	0.7
109.10176	0.7
111.04416	0.4
112.27872	0.3
115.03942	0.3
115.05437	1.1
118.04160	11.3
119.04953	3.6
119.08559	0.6
120.05709	0.8
121.02850	0.3
121.06518	2.4
121.10142	0.7
122.07272	1.4
123.04426	0.8
123.08026	0.4
124.03945	4.3
124.05199	6.5
127.03895	2.0
129.43587	0.3
131.04921	1.4
131.08528	0.4
133.02850	1.3
133.06487	17.3
133.10088	0.3
134.07216	0.9
135.04449	2.0
135.08063	2.8
135.11639	0.4
136.07556	0.8
137.05963	4.1
137.39885	0.3
141.06865	0.3
145.04915	0.5
145.06511	0.3
145.10100	0.5
147.04420	5.6
147.08009	0.7
148.04924	0.4
149.05984	1.2
149.09589	0.4
150.06755	7.3
151.03899	0.8
151.07539	3.3
153.01814	0.4
160.05144	0.4
161.05984	4.4
162.06729	0.5
163.03912	1.0
163.07520	1.4
165.05498	0.6
165.09116	11.6
167.07060	2.4
168.07295	0.4
175.07542	1.1
177.05479	0.8
178.06236	0.5
179.07034	2.5
179.10779	0.3
184.07355	0.6
187.04057	0.4
189.09099	0.3
191.07034	0.9
191.10625	0.3
193.08598	100.0
194.08980	0.8
195.10181	0.9
207.06502	0.4
220.06032	1.2
250.07117	0.7
256.11771	1.9
259.09756	0.4
268.08154	2.2
283.05908	0.4
285.11139	0.6
285.14780	0.5
293.10117	0.5
323.12830	2.0
325.06964	1.0
343.15417	0.7
355.15399	1.6
391.11673	0.9
400.12375	0.7
409.13083	0.9
489.27768	1.5
489.77219	0.7
494.15219	0.4
552.20978	0.3
552.38873	0.4
570.22986	1.3
570.40308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33488	2.0
54.07111	2.0
55.01860	8.6
55.05510	13.3
57.03428	3.1
57.07056	4.7
65.03921	2.2
67.05502	22.3
68.54636	2.2
69.07059	24.4
70.87786	5.4
71.01352	32.7
71.04977	2.6
75.04475	7.2
79.05491	11.5
81.07059	47.1
83.08598	16.2
85.02896	39.3
88.18369	2.1
91.05476	14.5
93.07024	34.8
95.04966	4.2
95.08601	100.0
97.10155	9.6
101.02376	65.6
102.39722	2.1
105.07024	43.2
107.08591	60.7
109.10155	78.4
111.08075	5.0
111.11703	9.1
119.07779	4.3
119.08580	54.9
121.10143	51.4
123.08078	2.4
123.11717	35.8
125.09662	2.3
127.03892	12.0
131.08560	9.7
133.09120	2.7
133.10123	47.2
135.11676	48.7
137.09723	2.5
137.13239	9.2
140.06223	2.1
143.08447	2.7
145.04950	79.8
145.10135	12.3
147.11681	41.3
149.13239	24.2
151.11290	3.0
151.14783	2.3
159.11682	15.3
161.13234	47.4
163.14801	24.1
167.27876	2.2
173.13257	7.9
175.14816	39.1
177.16379	27.7
178.08693	2.4
179.14255	5.6
179.17899	7.5
185.13353	2.5
187.14763	13.3
189.16368	48.4
191.17949	22.8
199.14917	2.7
201.16367	12.2
203.17944	31.3
205.19557	17.3
207.17424	51.0
215.18001	12.4
217.19511	46.8
219.21062	5.6
219.45238	2.2
221.18936	4.3
227.18011	3.0
229.19586	15.8
231.21007	11.6
233.18855	3.7
243.21091	9.0
245.22673	13.9
247.20573	2.8
255.20882	2.6
257.22626	7.0
269.22586	3.1
271.24210	10.3
285.25723	5.1
297.25681	5.3
315.26849	6.2
393.31949	3.9
407.36682	36.7
425.37735	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	3.5
55.01867	11.9
55.05509	17.3
55.09557	2.6
67.05492	21.4
69.07050	18.2
69.73558	16.7
71.01350	31.5
75.04474	9.5
79.05486	11.9
81.07049	42.3
81.68620	3.0
83.08616	12.0
85.02911	28.8
91.05490	20.8
93.07042	33.8
95.04932	3.8
95.08603	100.0
97.10218	6.1
101.02371	59.0
101.69622	2.8
105.07027	35.5
107.08586	63.6
109.10148	73.5
111.08058	6.5
111.11728	7.3
117.07058	5.6
119.08578	45.0
121.09299	5.0
121.10133	51.0
123.11716	29.9
127.03909	10.8
131.08546	4.3
133.10129	45.9
135.11682	42.5
137.13234	9.2
145.04958	74.2
145.10104	9.3
147.11688	33.2
149.13248	25.0
151.11128	4.0
157.10027	3.1
159.11705	16.7
161.13264	39.6
163.14825	26.4
171.11743	4.0
173.13255	12.2
175.14815	32.9
177.16397	31.0
179.14323	4.2
179.17976	5.9
187.14818	8.6
189.16370	44.9
191.17969	24.4
201.16411	14.7
203.17938	30.4
205.19514	19.5
207.17445	52.5
215.17952	11.8
217.19513	55.9
221.19051	3.7
229.19556	12.3
231.21068	10.7
243.21136	8.5
244.95193	2.7
245.22731	15.6
255.21223	3.1
257.22537	9.1
271.24194	11.8
284.09918	3.5
285.25723	4.6
297.25851	3.7
315.26685	8.5
364.79401	3.4
365.10281	3.4
407.36664	38.1
425.37805	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.05506	31.0
57.03426	25.5
57.07060	13.7
63.16882	4.9
63.53697	4.9
65.71091	5.5
67.05491	74.5
69.03409	22.6
69.07051	20.6
69.64945	14.3
69.65367	27.6
71.04986	74.2
71.08637	5.8
73.02888	6.0
75.04449	6.6
79.05478	38.6
81.03409	36.9
81.07042	89.8
83.04982	36.0
83.08619	10.0
85.02894	100.0
87.04413	7.0
89.06027	21.7
91.05475	33.0
93.07037	61.5
95.04958	25.3
95.08589	66.0
97.02876	27.0
97.06513	10.4
97.10191	8.8
99.04457	11.9
103.03947	7.1
105.07001	38.5
107.04951	9.3
107.08566	29.0
109.02885	22.4
109.06486	10.5
109.10155	30.3
111.04459	30.1
113.05986	5.4
117.06995	21.9
119.08576	31.3
121.10148	31.4
123.04414	5.4
123.08101	7.3
123.11703	13.9
127.03901	22.6
129.05450	21.6
129.06995	10.6
131.08556	35.3
132.93790	5.4
133.08557	7.1
133.10136	25.1
135.11681	19.9
143.08557	12.5
145.04980	6.6
145.10120	24.2
147.08099	7.0
147.11668	16.5
149.13252	14.9
155.08620	6.1
157.10143	9.0
159.07977	8.4
159.11655	26.3
161.09593	6.2
161.13239	14.3
163.14903	9.3
169.10098	8.6
171.11646	13.2
173.13252	17.8
175.11171	6.6
175.14871	11.1
178.08650	10.5
183.11591	11.0
187.14847	11.1
189.12659	8.5
199.14825	7.2
243.21159	6.8
259.20648	6.9
261.22144	25.7
270.48972	6.3
273.22299	6.4
277.21704	8.9
279.23187	7.7
291.23264	12.3
303.23135	21.0
314.20840	5.7
315.23105	6.1
321.24261	14.1
327.23196	9.7
329.24759	8.5
345.24338	12.5
353.24500	10.1
369.24142	35.6
371.25684	7.5
382.70276	5.5
387.25232	29.1
389.26910	8.5
405.26276	20.1
408.25192	5.4
409.11270	5.9
421.25964	9.6
423.27283	7.9
447.27783	6.7
465.27893	6.1
494.23004	6.0
497.28967	8.8
515.29895	16.7
533.30719	16.9
551.31915	11.5
568.56793	8.4
569.25775	10.8
569.33276	10.6
569.56311	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	569.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05526	0.4
67.05508	0.4
69.03437	0.5
69.07063	0.3
71.04968	0.2
72.08158	0.4
79.05489	0.5
79.15520	0.2
81.03422	0.5
81.07042	0.6
83.04987	0.4
84.08130	0.3
85.02891	1.0
91.05473	0.6
93.07053	0.3
95.04939	0.3
95.08601	0.5
97.02881	0.7
98.20706	0.6
98.48781	0.2
99.04439	0.3
105.07037	0.6
107.08536	0.3
109.02884	0.7
109.06489	0.3
109.10173	0.3
111.04396	0.3
119.08575	0.3
121.06493	0.4
121.10101	0.4
127.03945	0.8
133.10100	0.4
133.12694	0.2
135.11729	0.3
137.02277	0.3
137.05971	0.4
143.08574	0.2
145.10150	0.3
147.04457	0.4
147.11609	0.2
152.53523	0.2
167.07066	1.2
175.07468	0.2
177.50752	0.2
178.08801	0.3
196.48950	0.3
203.05251	0.9
259.07819	1.3
321.16772	1.1
325.07172	0.3
333.11264	0.4
333.20264	0.2
351.08698	0.3
379.11697	0.3
389.18011	0.3
389.22943	0.3
395.11414	0.3
407.23993	2.1
431.02042	0.3
455.22717	0.3
481.24060	1.1
483.21982	11.0
551.33838	0.3
569.29291	100.0
570.29779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
57.03404	0.1
57.21594	0.1
67.05486	0.6
69.03415	0.3
69.07050	0.3
69.46333	0.1
70.99694	0.1
71.04987	0.1
71.63689	0.2
79.05484	0.3
81.03403	0.3
81.07048	0.5
84.08156	0.2
85.02893	0.5
90.37616	0.1
91.05484	0.2
93.07024	0.4
95.04958	0.3
95.08591	0.4
97.02877	0.3
100.72200	0.1
105.07033	0.4
107.04976	0.1
107.08575	0.3
109.02876	0.3
109.06474	0.2
109.10143	0.3
111.08080	0.2
119.08612	0.3
121.10133	0.2
123.04394	0.3
123.08083	0.2
123.11682	0.2
125.05925	0.2
127.03929	0.4
129.07033	0.1
133.10144	0.2
135.08083	0.2
135.11720	0.2
137.05954	0.2
143.08537	0.2
145.10139	0.2
147.04405	0.2
159.11711	0.2
161.06041	0.1
167.07031	0.6
177.05576	0.2
178.08609	0.2
185.04227	0.6
189.16327	0.2
191.07010	0.2
203.05229	1.2
207.06528	0.2
251.00328	0.3
253.00005	0.2
254.30104	0.2
255.06451	0.2
259.07864	1.3
269.07977	0.2
291.10324	0.1
295.15222	0.3
309.16666	0.2
310.04703	0.1
311.05576	0.8
318.08893	0.1
325.07065	0.2
325.15872	0.2
331.09988	0.5
333.11188	0.4
333.20386	0.3
337.07001	0.2
351.08713	0.6
379.11713	0.6
389.17795	0.2
389.22971	0.2
407.14407	0.4
407.18604	0.5
407.24054	1.7
457.20425	3.0
471.21960	3.1
487.21396	0.9
545.14673	0.1
569.29254	100.0
570.29517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01864	1.2
55.05514	0.6
57.03428	1.8
61.02915	1.3
65.03932	0.7
67.05502	3.7
68.99798	1.6
69.03426	7.7
69.07053	1.1
69.80389	1.6
69.80802	0.8
70.18914	0.4
70.91470	0.4
71.05002	1.0
72.08140	0.5
73.02913	2.3
76.51569	0.4
79.05492	1.4
81.03423	5.7
81.07056	3.1
83.04963	1.0
84.08120	1.1
85.02899	15.5
87.00819	2.6
87.04471	0.5
91.05484	3.9
93.07047	1.2
95.01379	0.4
95.04978	4.0
95.08613	1.3
97.02892	5.7
99.04449	2.8
103.03947	1.0
103.05437	0.5
105.01852	3.2
105.07013	1.6
106.74831	0.4
107.04973	1.1
107.08601	1.1
108.52151	0.4
109.02885	6.5
109.06500	1.9
109.10133	0.9
115.05419	0.7
119.04937	1.4
119.08609	1.0
121.10154	1.0
123.04424	85.7
125.05947	0.5
127.03915	11.5
128.06189	4.5
129.01842	0.8
129.06979	1.5
131.04930	1.4
131.08565	1.5
133.06448	0.7
133.10089	0.9
134.03636	0.5
135.04440	1.0
136.05147	0.4
137.05983	1.1
141.06970	0.7
143.08553	7.1
145.04962	3.9
145.06497	0.9
145.07544	0.9
145.10112	0.8
147.03093	0.5
147.04404	13.0
147.07912	0.4
147.11659	0.4
149.05952	1.0
151.03966	0.5
153.07004	0.7
155.08531	0.7
156.05630	0.8
159.02895	2.9
159.04373	0.8
159.08067	2.7
160.05244	0.6
161.06026	0.7
163.03912	1.3
163.11316	0.4
165.05457	6.7
167.07050	2.8
169.06517	0.5
171.02954	0.7
171.04404	5.7
171.08060	5.4
172.05266	0.4
173.05986	1.9
175.07542	1.0
177.03957	0.5
177.05481	1.3
177.08839	0.5
181.06540	0.6
183.08023	0.9
184.05165	2.8
185.05954	1.0
187.07541	100.0
189.03915	0.9
189.05508	1.5
189.09128	0.9
197.06046	1.3
199.07535	52.9
201.09135	1.3
203.10588	0.6
211.07549	11.4
212.08295	2.9
213.09077	2.1
225.09052	0.7
229.04921	0.5
229.08482	0.9
231.04877	2.9
236.08231	0.4
237.09099	0.5
241.08569	0.5
251.10602	1.1
253.08650	1.0
253.11879	0.4
255.06618	0.5
263.06921	0.5
271.09717	0.6
275.10638	0.6
277.08472	0.5
278.09464	0.6
279.10095	0.6
289.08679	1.4
291.10342	0.5
293.08102	1.3
293.11737	1.3
303.10098	1.4
304.11270	0.6
305.07993	0.9
306.08868	1.5
319.09622	1.2
320.10379	1.2
321.11194	76.3
322.11487	0.6
325.06824	0.4
333.11090	0.7
335.09006	0.8
335.12732	2.5
345.11127	1.6
349.10651	1.1
363.12238	9.1
377.13742	0.8
381.13940	0.5
387.12323	0.9
389.13708	0.6
391.13715	0.9
435.12741	0.5
483.16815	0.8
525.17389	0.9
525.30878	0.6
569.16431	8.5
569.24249	0.9
569.31458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.05514	11.9
57.07061	8.6
65.03925	3.2
66.43435	2.0
67.05495	15.7
69.03423	1.8
69.07062	16.0
71.62125	2.3
79.05489	23.4
80.06271	4.3
81.07053	32.7
83.04974	3.2
83.08614	5.1
85.06528	4.2
91.05475	42.1
93.07037	52.6
94.07863	2.4
95.04961	42.0
95.08597	30.4
97.06509	2.2
103.05448	2.7
104.30870	1.9
105.07025	84.3
106.07838	3.5
107.08592	43.7
109.06502	6.2
109.10138	20.6
115.05445	5.0
116.06264	2.7
117.06995	24.9
118.07805	3.4
119.08573	100.0
120.09379	10.7
121.06523	3.0
121.10135	30.3
123.08072	13.3
123.11677	7.0
125.09606	2.3
128.06224	8.7
129.06995	17.8
130.07771	11.5
131.08565	48.0
132.09322	7.4
133.06404	2.5
133.10123	66.7
134.10904	4.5
135.08057	7.1
135.11670	17.4
137.09578	5.6
138.10381	8.2
141.06953	6.2
142.07779	17.0
143.08548	45.5
144.09351	16.6
145.10114	89.8
146.10866	5.8
147.11661	24.7
149.09637	5.3
149.13242	3.6
151.11206	5.0
153.06990	2.5
155.08549	13.2
156.09343	14.6
157.10120	52.0
158.10994	9.7
159.11682	41.6
160.12360	3.2
161.09641	5.9
161.13243	7.8
163.11183	5.2
163.14761	2.2
165.07149	2.8
165.08861	2.1
167.08546	6.9
168.09299	6.5
169.10109	28.5
170.10889	7.9
171.11673	32.7
172.12440	7.1
173.13258	27.2
175.11273	2.4
175.14828	22.6
177.12720	5.4
179.08563	8.1
180.09277	4.0
181.10092	18.6
182.10915	9.9
183.11676	28.0
184.12454	5.2
185.13242	22.2
186.14037	7.0
187.11108	2.5
187.14888	11.4
189.12733	4.7
191.14304	9.6
192.15033	3.6
193.10103	12.2
194.10849	9.8
195.11702	15.0
196.12410	10.5
197.13222	28.1
198.14001	7.0
199.14830	14.2
200.15421	2.4
201.12758	3.1
201.16357	10.5
203.14391	3.8
205.10010	2.7
206.10901	3.5
207.11713	9.0
208.12495	4.1
209.13246	27.7
210.14093	4.7
211.14807	17.8
212.15451	2.9
213.16376	6.5
217.15836	4.8
219.11800	2.3
221.13261	10.6
222.14014	3.4
223.14723	14.9
224.15547	8.9
225.16432	9.1
226.17160	2.5
227.18011	2.8
229.15889	2.1
231.11746	2.5
235.14780	8.4
236.15517	2.3
237.16388	8.8
238.17235	2.4
239.17950	5.3
241.19493	3.9
247.14828	2.6
249.16310	5.1
251.18022	3.7
259.14893	4.1
259.20642	2.8
261.16364	4.5
263.17963	4.0
265.19412	5.7
270.19696	3.0
272.21375	1.9
275.17947	4.3
277.19467	4.9
283.20657	4.2
284.29437	4.7
285.22336	2.6
291.35229	2.4
297.22064	4.2
305.22742	2.8
307.10272	2.2
311.29156	2.1
323.23651	9.0
337.25342	2.3
338.26007	49.8
349.25085	2.7
420.30057	2.9
430.32263	20.3
476.36472	27.8
563.91034	2.2
568.42792	39.3
568.56195	10.3
583.03607	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	568.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01856	1.2
55.05494	1.3
57.03423	1.2
57.49392	0.6
57.82278	0.6
61.02908	1.3
67.05487	1.8
69.03423	4.4
69.07056	1.0
70.06571	1.8
70.18186	0.7
71.04975	1.1
71.62331	1.0
72.08147	3.2
73.02920	0.9
78.04720	1.2
79.05494	5.1
81.03416	3.2
81.07037	3.5
82.07391	0.9
83.04957	0.9
84.04516	0.7
84.08124	3.1
85.02896	11.1
85.06540	2.1
86.09669	0.7
91.05471	4.0
93.07007	2.3
94.07376	0.8
95.04959	2.6
95.08583	2.8
96.08862	0.8
96.66273	0.6
97.02883	8.3
97.06493	1.1
98.06046	0.7
98.09671	1.0
99.04446	1.5
102.04047	0.6
102.08500	0.7
103.05432	2.0
105.07022	9.9
107.04940	9.0
107.08577	2.1
108.04434	0.7
109.02860	2.3
109.06477	0.9
109.10159	1.8
110.10534	0.7
113.81567	0.7
115.05442	2.6
117.07015	0.7
119.04915	1.8
119.08553	1.7
121.06516	0.9
121.10130	1.0
122.06066	0.8
123.04420	4.0
123.07997	1.0
124.03920	1.2
124.05172	2.4
125.05979	2.2
125.09568	0.9
127.03922	5.4
128.06203	1.8
129.07004	14.9
131.04875	1.6
131.08546	1.3
132.05673	0.8
133.06483	6.8
133.10115	1.7
134.03687	0.9
135.04436	0.7
135.11652	0.8
136.03978	1.0
136.07532	0.8
137.05960	4.1
138.05464	2.6
140.07092	0.8
141.06935	1.0
144.05669	1.4
145.02736	1.0
145.04991	2.1
145.06436	1.8
147.04405	4.7
147.08020	1.5
147.11609	0.7
149.05960	1.3
149.13216	0.6
151.03876	0.8
151.07579	0.7
152.04652	1.4
152.07080	0.9
153.01767	0.7
153.05443	3.9
155.04889	2.1
155.07019	1.1
156.05583	1.0
156.06686	1.0
156.10254	0.7
159.08043	7.7
161.05972	15.3
161.09650	1.2
163.03848	1.2
163.07425	0.7
165.06921	0.9
166.04994	1.3
167.07031	63.3
168.07352	0.9
171.08087	0.9
172.05161	1.9
175.07523	10.4
177.05464	2.4
178.07803	2.2
179.07008	2.0
179.08467	0.9
180.06512	0.8
180.08606	2.5
181.04993	0.8
181.06586	0.7
181.08577	1.4
182.08101	1.2
183.02930	0.7
184.06131	5.2
187.07527	28.1
189.06999	2.3
189.08951	1.1
190.07681	1.2
191.06998	3.7
191.08469	1.6
193.10123	1.4
195.07971	1.3
198.07533	1.5
199.07516	5.4
201.09001	1.2
202.07788	2.2
203.08553	5.1
205.06441	1.5
206.07269	6.0
207.08057	1.0
209.08049	1.6
215.08554	0.7
217.06653	1.1
217.08620	2.9
218.07254	1.7
219.08096	3.6
220.08826	1.8
221.09613	9.2
230.13553	0.7
231.08018	2.8
233.05991	0.9
233.09668	0.9
234.06766	5.5
235.07637	3.3
237.09070	1.5
238.09885	0.8
245.05956	1.2
247.07542	1.8
248.08388	2.1
249.09084	12.1
250.09808	1.4
251.06972	4.9
259.07544	0.7
260.08420	1.3
261.08966	1.2
262.06302	0.9
263.06915	0.8
263.10623	0.8
265.08597	1.9
266.09406	3.4
267.10043	0.9
276.07922	1.0
277.08548	7.9
278.09384	1.8
279.06546	1.6
280.08054	1.7
280.10751	0.8
281.11707	32.3
283.06113	1.0
284.06354	1.6
285.06705	1.5
286.04608	2.6
289.08627	1.1
291.10205	1.4
293.08295	1.3
293.11517	1.3
294.08865	4.1
295.09473	2.0
298.09155	2.6
301.07062	12.5
309.11188	31.9
310.08453	0.9
310.12003	2.0
311.08926	2.3
313.06973	0.9
314.07178	1.7
315.07648	0.9
316.07968	1.2
321.07556	0.7
321.11145	1.8
322.08020	0.7
325.65134	0.7
326.07455	0.8
326.11606	2.3
338.07370	2.3
339.07825	1.0
339.12238	0.7
340.07986	1.7
341.13809	100.0
342.14404	1.2
344.13486	1.2
351.25293	0.7
352.07959	0.9
352.25522	1.6
353.13843	8.9
359.14728	3.5
368.08582	1.3
369.08890	1.2
370.08920	1.9
370.26718	1.9
371.14862	2.5
404.10675	1.5
405.10852	1.6
406.11002	3.7
490.17221	0.8
568.14764	1.1
568.30853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34457	0.3
53.03939	0.6
55.01851	0.6
56.34488	0.3
57.03416	0.6
61.02924	0.4
65.03919	0.4
66.39828	0.3
67.05526	0.3
67.21811	0.3
67.74413	0.3
69.03428	1.6
69.90303	0.8
69.90715	1.0
70.06559	0.5
72.08144	0.6
78.04713	1.5
79.05488	2.1
80.52453	0.3
81.03397	0.7
81.07061	0.6
85.02904	3.8
86.09586	0.4
91.03918	0.4
91.05468	4.2
93.07017	0.6
95.04946	1.1
97.02891	1.7
99.04446	0.6
103.05447	1.4
105.07024	3.2
106.04135	0.6
107.04945	4.6
109.02838	0.4
109.06493	0.4
115.05437	0.8
117.07000	1.1
119.04922	2.5
119.08551	1.2
121.02822	0.4
121.06493	0.9
122.03651	0.5
123.04402	3.2
124.05166	1.4
125.06005	0.5
127.03887	1.0
128.06218	1.0
129.07001	4.0
131.04916	2.6
132.05698	1.3
133.06487	2.7
134.03578	0.6
135.04430	0.5
136.05180	1.4
137.05984	2.2
139.07538	0.4
140.04665	0.6
144.05655	0.6
145.04967	1.3
145.06441	2.3
147.04413	1.6
147.08029	2.5
149.05975	0.5
151.03873	0.8
151.07524	3.2
152.04689	1.3
153.05440	0.7
155.04845	0.5
155.07008	0.7
156.05707	0.5
157.06444	0.5
159.08052	2.6
160.05179	1.1
161.05975	7.4
162.06705	0.7
163.07535	0.8
167.07025	100.0
168.07442	0.6
171.08047	0.4
172.05179	0.6
173.05943	0.9
174.06737	0.4
175.07538	18.4
176.04745	0.5
177.05443	1.0
177.09039	0.6
179.07027	10.4
180.08661	1.4
181.08571	0.4
184.05193	0.4
185.05923	0.6
187.07521	9.6
189.06989	0.6
189.09093	0.5
190.07774	0.3
191.07010	8.8
192.38333	0.4
193.08591	2.9
195.08057	0.5
199.07497	3.1
202.07845	0.4
203.08528	1.0
205.06668	0.5
205.08577	5.5
206.07248	1.0
209.08020	1.7
215.08603	0.4
217.06633	0.6
217.08467	2.3
218.07388	0.6
219.08102	1.1
221.09602	1.7
223.07538	0.9
223.09666	1.3
231.08017	0.6
233.09595	1.0
234.06801	1.6
235.07495	1.0
235.09668	0.9
237.08919	0.5
245.05988	0.5
247.07576	0.9
248.08469	0.4
249.09090	3.4
250.09818	0.4
251.07007	1.0
252.07726	0.4
260.07993	0.4
261.09070	1.8
263.07013	0.9
264.08011	0.4
265.08594	0.6
266.09344	1.1
277.08582	2.2
278.09143	0.7
279.06747	0.4
279.09869	0.7
281.11676	4.1
283.09497	0.3
289.08569	1.6
293.08197	0.6
293.11606	0.9
294.08844	0.9
295.09482	0.6
299.12772	0.5
307.09525	1.1
308.10474	0.4
309.11194	5.5
310.11789	0.6
311.09143	0.8
321.11200	2.6
322.11768	0.4
325.14188	0.4
326.11523	3.2
327.12085	0.4
339.12216	1.3
341.13812	18.2
344.12589	0.8
353.13803	7.2
359.14862	10.5
371.14874	11.5
389.15805	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	568.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59317	1.4
53.03936	1.7
55.01859	2.3
55.05495	4.7
57.03423	3.5
61.02914	1.9
65.03922	2.2
67.05495	4.8
69.03414	7.6
69.07052	3.2
69.42342	15.1
70.06553	3.3
71.04984	4.2
72.08131	4.3
73.02921	2.5
79.05489	7.6
81.03419	13.1
81.07059	7.3
83.04955	3.7
84.08131	2.1
85.02892	23.7
85.06527	4.7
86.09691	2.3
91.05462	4.8
93.07031	5.3
94.07321	1.9
95.04963	4.7
95.08576	4.6
95.18057	1.6
96.08104	2.3
97.02884	11.0
97.06515	2.8
99.04440	2.4
103.05467	4.2
105.06999	5.7
107.04940	12.0
107.08584	3.7
109.02862	5.5
109.06517	3.1
109.10149	5.3
111.04414	4.1
111.08018	1.3
112.07586	1.6
115.05437	11.0
117.07014	11.3
119.04965	2.6
119.08562	4.3
121.02875	12.0
121.06524	2.6
121.10120	2.4
122.03622	4.7
123.04404	7.1
125.05930	2.2
127.03919	12.1
128.06180	4.0
128.07076	2.2
129.06984	7.6
131.04904	6.5
131.08548	4.6
133.06436	3.0
133.10114	2.9
135.04413	2.3
135.08060	2.5
137.05963	95.4
138.05460	2.1
140.07042	3.6
143.04889	7.3
144.05664	2.1
145.04984	4.1
145.06465	25.9
147.04376	8.2
147.08046	2.6
147.11649	2.8
148.61494	1.6
149.05933	2.0
151.03859	2.2
152.07047	3.9
153.01817	2.2
153.05424	4.5
154.08565	2.0
155.05962	2.6
156.05621	3.9
156.10260	2.6
157.06511	8.9
159.08047	8.4
160.05211	11.3
161.05965	6.9
163.03900	1.9
163.07562	3.9
167.07034	47.0
172.05168	5.3
173.05971	47.2
174.06728	2.5
175.07538	100.0
177.05473	4.9
180.08643	6.2
180.10062	2.4
187.07516	42.1
189.09074	7.9
190.06244	19.7
191.07022	3.3
193.08624	4.8
195.02855	2.4
202.06183	3.1
203.06981	8.0
205.08575	94.1
207.06462	2.4
217.08572	34.5
219.10118	2.6
232.08791	1.7
233.09688	1.7
235.09636	55.4
241.08597	2.8
247.07332	1.8
247.09659	7.6
249.09027	3.3
261.09146	3.8
263.06873	1.9
265.10696	40.2
269.07968	1.9
271.05911	2.3
277.08588	4.5
285.07593	4.5
290.07370	2.2
293.11667	3.0
295.05725	1.6
299.05432	2.9
300.09842	8.4
301.10660	4.1
309.11139	3.8
311.05444	6.0
321.11050	6.6
329.06561	4.8
334.24567	3.1
338.11279	2.0
339.12332	3.1
341.13824	9.4
352.25616	3.0
353.13766	14.8
369.26495	1.6
370.26617	5.6
371.14865	32.6
474.40057	1.7
568.26929	1.9
568.33655	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	567.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01856	6.0
55.05296	1.5
55.05508	17.1
56.36980	1.5
57.03428	3.0
57.07052	3.7
65.03928	2.7
67.05497	44.0
69.03429	4.8
69.06714	2.4
69.07057	19.6
69.98581	9.3
71.01345	20.3
71.04989	3.2
75.04465	6.0
79.05488	15.5
81.03410	10.1
81.07050	52.8
83.04976	2.2
83.08613	11.0
85.02898	24.1
85.06522	2.8
91.05470	16.8
93.07039	42.2
95.04952	4.7
95.08599	98.2
97.02872	5.1
97.06528	2.8
97.10185	4.6
99.04447	1.6
99.08115	1.5
101.02367	30.5
105.07016	45.4
107.04960	3.0
107.08587	56.0
109.02826	3.6
109.06503	3.5
109.10142	64.4
110.80218	1.8
111.04438	1.9
111.08079	21.1
117.06999	5.4
119.08572	44.5
121.02876	1.7
121.10128	39.6
121.41479	1.6
123.04395	3.3
123.08031	2.2
123.11696	24.4
125.09599	3.8
126.81657	1.6
127.03909	33.2
129.06958	4.2
131.08554	12.7
133.10112	39.8
135.11670	29.7
137.13225	4.8
137.43367	1.7
139.11160	4.6
143.08534	5.5
144.09381	2.2
145.04947	44.6
145.10132	20.6
147.11682	31.6
149.13260	30.7
151.11041	2.5
152.13655	1.8
155.10576	1.7
157.10100	7.7
158.10812	2.0
159.11671	27.0
161.13242	26.6
163.14781	16.2
167.07030	2.5
169.10150	2.7
170.20329	1.7
171.11665	5.6
173.03069	1.9
173.11749	3.8
173.13239	16.9
175.14821	15.6
177.12651	1.7
177.16371	18.3
179.17982	3.5
185.13216	5.6
187.14801	11.0
189.16382	23.1
191.17949	13.0
193.15904	4.1
199.14832	6.9
201.16364	44.4
203.17932	30.7
205.15865	7.3
205.19493	6.2
207.17453	6.5
213.16376	5.5
215.03397	2.2
215.17946	13.0
217.15923	3.0
217.19496	24.2
219.17386	4.8
227.17958	9.6
229.19507	11.3
231.17265	1.7
231.20982	2.7
233.19012	3.5
235.20566	3.0
239.17950	2.2
241.19502	6.0
243.21075	4.0
245.05046	1.9
246.05182	2.0
255.21019	8.7
257.22659	4.7
261.22009	2.3
269.22629	13.2
283.24030	2.9
297.60648	2.0
299.14908	2.2
365.31985	6.7
379.11746	2.8
405.13290	36.8
405.35153	10.5
406.13608	3.5
423.36172	100.0
424.36719	2.1
549.26923	6.4
567.18390	25.1
567.28009	40.4
568.18372	4.3
568.27716	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	567.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
53.67486	2.3
55.01884	6.3
55.05504	33.5
57.03435	22.7
57.07065	3.2
59.04986	2.6
65.03942	6.0
67.05499	54.1
69.03428	3.5
69.07061	35.7
71.04993	6.7
73.08572	2.2
79.05483	64.8
81.03426	3.2
81.07051	67.9
83.04980	3.0
83.08611	21.4
85.02928	4.3
85.06558	8.5
91.05470	74.2
93.07038	63.1
93.07622	3.7
95.04963	13.7
95.08601	59.6
97.06522	31.6
97.10176	7.3
97.68183	2.3
99.08121	6.9
103.05519	3.9
105.07021	68.1
107.04977	2.8
107.08580	45.2
109.06493	38.2
109.07143	2.8
109.10152	24.2
111.08088	6.2
113.09597	2.9
115.05444	4.2
117.07011	34.0
119.08575	57.0
121.06477	4.2
121.10142	25.3
123.08074	7.9
123.11714	4.4
125.09628	3.3
128.06236	8.2
129.06990	26.0
131.08563	39.9
133.10109	39.6
135.08038	14.8
135.11667	19.7
137.09624	5.5
141.07004	11.6
142.07808	5.0
143.08557	30.0
145.10115	30.6
147.11670	24.5
149.09616	5.8
149.13261	6.5
151.07574	2.3
153.07066	6.7
154.07755	3.2
155.08546	23.8
156.09370	3.7
157.10112	28.4
157.11050	2.5
159.08060	6.8
159.11678	29.3
161.09673	6.3
161.13274	7.1
163.11169	3.5
165.06978	3.5
166.07767	2.5
167.07228	4.5
167.08623	13.0
168.09406	6.9
169.10091	25.8
170.10918	2.7
171.11678	21.7
173.09663	3.1
173.13275	12.7
175.14803	5.3
177.12845	2.5
179.08588	7.4
180.09341	3.9
181.10117	20.9
182.10991	5.1
183.11667	23.9
185.13206	18.6
187.11235	3.2
187.14806	3.5
189.16348	3.0
191.08632	2.8
193.10204	10.6
195.11716	20.6
195.13548	2.9
196.63908	2.5
197.13254	14.0
199.11215	3.8
199.14890	6.3
201.12779	4.2
201.16586	2.7
203.14296	3.1
207.11708	7.7
208.12428	2.5
209.13292	12.2
211.14876	10.4
213.12775	4.4
213.16457	2.9
217.15932	4.8
219.11803	3.3
219.13852	2.6
221.13422	5.2
221.15414	5.9
223.14911	12.1
223.71103	2.5
225.16389	4.2
229.73598	3.0
233.13283	2.9
233.15536	2.5
235.14856	6.4
235.16913	2.8
235.93198	2.4
237.16397	5.7
239.17943	6.0
246.14291	3.0
247.14705	3.6
257.19086	8.4
261.16379	3.2
273.18494	9.2
275.20074	56.3
277.21619	20.1
281.19064	3.2
285.18350	2.8
291.19501	32.4
297.18665	3.5
299.20328	3.1
311.20142	5.1
313.21725	3.4
325.21649	3.2
337.21509	3.4
339.23306	5.4
349.21466	2.9
353.24854	4.4
365.10385	4.1
365.24908	4.3
367.26236	5.0
405.13339	21.5
405.27710	3.3
406.13538	3.8
417.27545	3.3
459.32574	6.9
477.33597	6.1
481.08826	5.0
481.33722	2.8
495.34573	17.8
509.36456	5.8
513.37537	5.7
531.38098	15.8
549.39294	34.3
550.40173	3.3
567.18256	18.5
567.40417	100.0
568.18762	3.2
568.40692	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	567.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
66.96223	0.2
67.05504	0.7
69.03410	0.3
69.07047	0.2
69.82375	0.4
69.82779	0.6
71.04965	0.2
79.05474	0.4
81.03382	0.6
81.07034	0.6
83.01099	0.3
83.08624	0.2
85.02876	0.5
91.05460	0.4
93.07036	0.4
95.01080	0.2
95.04943	0.2
95.08574	0.5
96.01838	0.2
97.02852	0.3
105.06992	0.6
107.04971	0.2
107.08563	0.3
109.02863	0.2
109.06510	0.2
109.10130	0.6
111.04440	0.2
111.08015	0.1
119.08510	0.4
121.10159	0.3
127.03832	0.4
131.08542	0.2
133.10098	0.3
137.05904	0.2
147.11707	0.2
156.76120	0.2
167.06987	0.2
185.04132	0.6
193.12300	0.2
194.06055	0.2
201.03625	0.6
203.05249	1.3
206.89024	0.2
215.03323	0.7
251.12608	0.2
259.07825	1.7
273.03735	0.2
283.15121	2.2
307.09473	0.6
320.06741	0.3
331.10037	1.4
335.09100	3.5
339.17712	1.1
345.11365	0.3
349.06717	0.2
349.10632	0.2
359.12811	0.3
373.14642	0.3
387.16165	0.8
401.17331	0.2
405.13385	3.1
405.22250	2.1
425.77277	0.2
469.20029	0.6
485.19608	0.2
497.14243	0.9
567.27441	100.0
568.18835	0.3
568.27612	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	567.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18539	0.2
53.03891	0.2
55.01789	0.2
55.05444	0.7
56.00186	0.2
57.03370	0.2
58.06543	0.5
68.04973	0.4
69.03346	1.3
70.06578	1.4
71.04924	0.3
71.62605	0.2
72.08072	3.9
79.05431	0.5
81.03331	1.5
81.07053	1.4
82.06543	0.5
83.04898	0.2
83.07291	0.2
84.08124	1.0
85.02896	3.0
86.09618	0.5
87.07900	0.2
88.04697	0.2
89.10703	0.6
91.05396	0.6
93.06975	0.3
94.06519	0.2
95.01266	0.2
95.40804	0.2
96.08067	0.5
97.02903	1.7
97.07607	0.2
98.05968	0.7
98.09686	17.9
98.10299	0.7
99.04428	1.6
103.03946	1.2
105.06918	0.2
107.04868	0.5
109.02867	1.3
110.02319	0.2
110.03136	0.2
111.04325	0.4
114.10276	1.2
115.08630	0.2
119.04859	0.6
120.08031	0.2
121.06486	0.2
123.04372	0.3
124.03857	0.5
124.11221	18.7
125.88947	0.2
126.05416	0.2
126.47198	0.2
127.03912	5.7
128.04161	0.9
129.04352	0.5
129.05286	0.2
131.04793	0.2
131.12840	0.2
135.04382	0.4
137.04704	0.4
138.05417	0.4
140.07002	0.2
145.02783	0.3
145.04868	0.7
147.04399	4.5
148.11096	0.8
149.99409	0.2
150.05420	0.2
150.12675	0.6
152.06966	0.3
157.10786	0.2
161.05951	0.3
162.05426	0.6
163.03802	0.7
163.06070	0.3
164.07076	0.4
167.06973	0.7
175.03719	0.2
176.07068	1.1
177.05350	0.3
177.07765	0.6
178.08557	0.5
187.05902	0.4
188.06990	0.5
189.07834	0.3
193.08572	0.3
205.09795	0.3
207.06546	0.3
216.10001	0.2
218.11710	0.7
219.11258	4.5
220.12018	0.3
225.03758	0.3
227.11688	0.5
230.11572	0.5
235.14241	0.2
256.09567	0.2
261.15964	100.0
262.16248	0.6
273.03946	0.3
277.16483	0.6
285.03583	0.2
289.16617	0.2
291.09814	0.3
303.10370	0.2
403.37323	0.2
405.16791	0.2
411.09918	0.3
464.13876	0.2
469.28076	0.3
513.12854	0.3
531.14313	0.3
549.22113	0.6
567.24475	10.4
568.26178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.4
69.03412	0.4
70.82888	0.7
70.83252	0.6
71.04958	0.6
81.03405	0.4
81.07058	0.5
85.02899	0.8
91.05498	0.6
95.08579	0.5
97.02866	0.4
107.04918	0.3
109.10158	0.4
119.04953	0.3
123.04378	0.6
135.11713	0.3
135.28410	0.3
137.02377	0.4
178.08614	0.7
189.05534	0.3
215.03358	2.8
225.09030	0.6
233.04451	0.7
239.07007	1.5
251.07057	0.5
252.07835	0.4
253.08711	0.3
293.08246	0.6
295.06137	0.4
303.10248	0.4
305.08148	0.4
307.05835	0.5
319.09613	0.6
321.07501	1.2
331.09662	1.2
333.07663	0.7
336.01648	0.3
337.07101	1.8
347.09097	4.0
348.09848	0.3
349.07016	5.5
349.10776	2.3
350.07700	1.3
351.08759	0.4
361.06772	0.3
361.10727	1.1
365.10098	2.3
371.09106	0.7
377.13712	0.5
387.12219	0.6
404.12424	1.9
405.13248	100.0
406.13766	1.5
421.16196	0.9
567.18433	63.5
568.19092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03378	0.3
69.07027	0.2
73.18663	0.2
81.07018	0.4
85.02847	0.3
86.48868	0.2
89.21735	0.2
91.05425	0.3
93.07012	0.3
95.04980	0.3
95.08572	0.3
98.20723	0.6
105.07043	0.2
107.08566	0.2
109.10125	0.2
115.28931	0.3
119.04919	0.5
119.08579	0.2
127.03859	0.2
135.04327	0.3
137.02280	0.6
147.04366	0.3
167.07004	0.5
185.09654	0.3
211.07503	0.5
213.05380	0.4
213.08981	0.3
215.03380	3.6
223.07675	0.3
225.05399	0.4
225.09116	0.3
227.07007	0.3
233.04482	0.5
238.06406	0.3
239.06973	1.7
251.07014	1.0
253.08484	0.3
255.09964	0.2
268.74036	0.2
291.06631	0.4
291.10040	0.4
293.07843	0.5
305.07956	0.4
307.06213	0.3
321.07520	1.1
333.07446	0.9
333.11069	0.3
334.08261	0.4
337.07080	1.6
343.09778	0.4
347.09140	3.6
349.07022	4.5
350.07828	0.7
351.08673	0.3
357.07275	0.2
359.12509	0.4
361.10809	1.1
363.12064	0.4
365.10370	0.2
371.09036	0.9
377.13751	0.4
379.11490	0.3
387.12137	1.0
389.09882	0.2
404.12503	2.1
405.13290	100.0
406.13675	1.0
511.12796	0.4
567.18555	68.2
568.18970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1706
Annotation	5,7,4'-Trihydroxyflavonone 4'-O-xylosylglucoside
Peak:m/z	Relative Intensity
53.03942	1.5
55.01867	3.5
55.05486	1.9
57.03433	13.6
57.07063	1.1
61.02906	4.0
62.36573	1.0
65.03933	1.2
67.05489	4.3
68.99783	2.8
69.03418	10.2
69.07050	3.8
70.06571	3.1
71.01354	1.2
71.04987	2.0
72.08137	3.8
73.02915	15.1
79.05463	3.5
81.03416	6.3
81.07047	6.1
83.04983	2.6
85.02901	30.1
85.06541	5.9
86.09724	1.0
87.04467	1.7
89.06038	2.1
89.10801	1.0
91.05482	6.9
93.07043	5.6
95.04960	5.5
95.08582	5.3
97.02882	12.4
97.06515	2.5
99.04423	1.9
103.03922	2.2
105.07005	3.9
107.04953	5.2
107.08561	3.9
109.02865	9.3
109.06507	2.8
109.10127	2.9
111.04419	1.9
115.03927	5.0
117.07031	1.7
119.04942	13.2
119.08585	3.6
121.02851	14.1
121.06497	3.9
121.10124	2.3
122.03181	1.5
123.04408	17.0
123.11712	1.9
125.02348	3.4
126.92856	1.0
127.03903	10.3
129.06972	1.4
131.04913	1.6
133.10114	3.5
135.04391	2.2
135.11670	2.5
137.02342	1.3
137.05989	4.3
138.05489	1.2
139.03934	1.6
139.11130	1.4
141.01801	1.7
145.02844	1.1
145.04938	3.2
145.06451	1.3
147.04402	39.0
147.08035	1.3
147.11673	1.9
148.04765	1.4
149.02368	2.3
149.05974	2.2
149.09583	1.3
151.03896	4.1
151.07474	1.2
151.11162	1.3
152.07088	1.1
153.01811	39.4
153.05408	1.8
157.05000	1.0
157.10141	1.4
159.04301	1.7
161.06007	1.8
162.09134	1.4
163.03889	7.7
163.07538	1.7
163.09546	1.5
163.14841	1.2
165.01814	22.7
165.05424	1.2
167.03371	2.3
167.07047	5.8
168.86589	1.0
171.02892	12.8
173.06027	3.3
173.13232	1.4
175.03909	6.5
175.14772	1.6
176.04214	2.0
177.01833	12.4
177.05461	3.3
179.03386	8.0
180.10197	3.5
181.04959	1.6
181.10486	2.1
182.18935	1.0
183.02873	28.7
187.03928	2.3
187.07605	1.5
189.01814	3.5
189.05412	1.6
191.03394	19.5
193.01393	1.2
195.02879	100.0
196.03120	1.6
197.00830	1.6
198.11201	1.5
201.05403	2.6
203.03349	7.7
205.04936	2.6
205.08737	1.1
207.02901	5.3
207.06516	7.5
208.06860	3.5
209.04433	3.0
213.03854	2.0
215.03389	2.4
215.07097	1.6
217.04979	1.3
219.02873	40.0
221.04456	1.7
225.03952	1.6
229.04788	1.3
231.02844	21.3
233.04356	3.6
237.03902	3.6
243.02902	3.3
245.04356	1.3
249.03925	21.1
255.06473	1.6
261.03952	20.0
267.04956	3.9
271.05991	19.8
272.06320	5.1
273.07562	75.6
274.07654	1.3
279.04773	4.8
285.07556	28.0
285.20496	1.3
289.07056	12.2
291.05035	1.4
295.05984	2.3
297.07843	15.5
303.05008	1.1
309.07367	1.9
313.07257	2.0
315.08572	32.2
331.07962	1.4
333.24228	2.7
338.07217	1.6
339.08597	34.3
339.12711	1.6
351.08542	11.2
351.25186	5.7
363.08359	3.1
369.09531	16.2
369.26373	7.0
370.12015	1.9
379.08417	1.4
381.09637	12.1
387.10516	4.1
387.27594	2.2
399.10724	17.2
405.11652	5.0
411.10181	2.4
417.11743	17.2
422.09879	1.3
429.10785	3.5
435.12827	17.9
467.17810	1.0
513.13147	2.2
549.15472	1.3
567.15405	1.1
567.23999	3.1
567.31720	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	565.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01868	0.5
57.03434	2.3
65.03916	0.4
67.05511	0.4
68.99779	0.5
69.03067	0.5
69.03426	7.1
71.04987	8.7
71.32097	0.3
71.54557	0.5
71.54898	0.4
72.08129	0.4
75.04482	0.3
78.04703	0.9
79.05497	1.5
81.03411	1.1
81.07034	0.5
83.04967	0.7
85.02898	13.4
85.06562	0.5
87.04414	0.5
91.05452	0.8
92.97925	0.3
93.03415	0.4
93.07036	0.7
94.31984	0.3
95.04948	1.4
97.02877	2.8
97.06532	0.3
99.04458	0.8
103.05463	1.0
105.06377	0.5
105.07024	7.7
106.04140	0.5
107.04954	3.7
109.02860	1.0
111.00822	0.6
111.04431	1.5
115.05460	2.0
118.04131	0.5
119.04921	1.7
121.02857	0.9
121.06488	1.0
123.04411	3.4
124.05182	1.4
125.02383	0.4
125.05940	0.7
127.03911	4.0
129.05463	2.9
129.07053	0.3
131.04901	1.4
133.06485	7.2
134.03664	0.4
135.04391	4.4
137.05977	0.8
143.05989	0.5
147.04395	3.0
147.06497	0.7
147.07877	0.3
149.05969	1.5
151.03888	0.9
152.04660	1.3
153.01842	1.9
153.05437	0.8
157.06409	0.4
161.05975	12.9
163.03902	0.9
165.01848	2.5
165.79158	0.3
167.07028	100.0
168.07388	0.9
171.02925	0.6
173.05997	0.8
177.01796	2.0
177.05449	0.9
179.03336	0.3
179.06918	0.4
181.04962	0.5
181.08603	0.9
183.02904	1.7
185.05956	0.4
187.07443	0.5
189.01846	1.0
191.03384	2.1
193.08595	16.2
195.02878	13.4
201.05417	0.5
203.03394	2.3
205.04951	0.4
205.08614	1.4
207.02812	1.5
211.09650	7.3
215.03381	0.6
217.04988	1.8
219.02856	5.5
220.03183	0.5
221.04437	1.1
229.04866	0.7
231.02899	0.7
233.04356	0.5
235.09735	0.4
237.03888	1.4
243.02913	0.3
245.04436	6.7
249.04077	0.4
255.06497	0.4
257.04474	0.9
257.08102	2.2
259.05991	0.4
261.03940	1.5
263.05472	6.9
269.04382	0.8
271.06033	0.7
273.07556	1.4
275.05338	0.6
281.06461	0.7
283.06070	1.1
285.04181	0.6
285.07608	1.2
286.07901	0.4
287.05499	2.0
294.05191	0.4
295.06024	1.5
297.07428	1.7
299.08209	0.5
305.06494	1.5
307.06009	1.1
308.06781	0.4
309.07538	0.9
311.05490	0.9
313.07135	0.7
315.08588	3.1
321.07526	0.8
323.07587	0.6
325.07037	1.1
327.08447	0.4
329.06482	1.8
333.07834	0.4
337.07095	1.5
337.12732	0.9
339.08582	3.7
347.07761	0.5
349.07147	0.9
351.08484	0.7
355.08121	0.8
361.07065	0.4
365.10260	2.0
373.09268	1.9
379.08078	1.7
381.09781	0.5
383.11240	7.2
389.09872	0.6
391.10294	3.0
395.10898	0.5
397.09326	0.5
401.12244	3.4
403.10068	0.4
406.16443	0.3
406.21860	0.4
407.11313	1.5
409.10269	1.4
413.12421	0.4
419.13370	4.4
425.12234	0.8
427.10168	1.5
443.13046	0.5
449.12384	0.5
467.13419	0.6
475.13748	1.1
481.11383	0.5
493.14536	0.6
499.12518	0.4
511.15393	1.3
529.13721	0.7
547.15137	0.5
565.18408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.11249	0.5
55.01868	1.4
55.05502	0.6
57.03428	2.1
67.05492	0.6
68.99791	0.9
69.03074	0.7
69.03426	9.7
70.98291	1.3
70.98653	0.6
71.04987	11.9
71.27700	0.5
72.13947	0.4
73.02900	0.5
78.04714	1.7
79.05484	1.6
81.03398	1.3
83.04975	0.8
84.39220	0.5
85.02900	19.6
87.04440	0.7
87.83585	0.5
91.05463	1.6
95.04939	1.7
97.02876	2.9
99.04460	1.3
103.05461	0.9
105.06359	0.8
105.07020	7.8
106.04126	0.7
107.04942	4.4
109.02870	2.1
109.06535	0.5
111.00781	0.8
111.04449	2.5
115.05461	0.9
119.04935	1.8
121.02848	1.7
121.06498	1.2
123.04418	3.8
124.05222	0.9
125.05990	0.8
127.03930	5.1
129.05472	3.1
129.07068	0.6
131.04967	1.2
133.06488	6.4
133.10117	1.3
135.04402	6.6
137.05920	0.7
145.06444	1.0
147.04446	4.7
147.06544	0.6
149.02318	0.5
149.05956	1.0
151.03899	1.0
153.01814	2.6
153.05423	1.0
157.50089	0.5
161.05978	12.0
163.03917	1.8
165.01831	3.4
167.07030	100.0
171.02921	0.8
171.04315	0.6
173.05956	0.8
177.01822	2.1
177.05438	0.8
179.03409	1.2
179.06982	0.7
181.08675	1.1
183.02818	3.6
187.07507	0.7
189.01752	1.4
189.05469	0.9
191.03360	3.1
193.08580	16.2
195.02881	20.3
201.05441	1.2
203.03308	3.3
205.08543	1.2
207.02754	2.5
207.06424	0.7
211.07732	1.1
211.09624	6.9
213.03761	0.9
217.04932	2.1
219.02873	8.8
221.04408	1.4
223.02339	1.3
229.04861	0.6
231.02876	1.1
233.04434	1.0
235.05804	0.6
237.03918	1.7
241.04951	0.7
243.06439	0.9
245.04422	8.2
248.22650	0.5
249.04134	0.6
255.06404	1.1
257.04291	1.3
257.08078	3.5
261.03842	3.0
263.05505	10.7
269.04373	1.2
271.05936	1.1
273.07596	1.7
275.05576	0.7
279.72968	0.6
281.06430	1.0
283.06000	1.2
285.03693	0.6
285.07504	2.0
287.05490	4.1
291.60007	0.6
295.05933	2.8
297.07556	2.6
305.06415	2.4
307.05826	1.2
309.07431	1.4
311.05484	1.1
313.06952	1.5
315.08554	6.5
319.11786	0.7
321.07462	0.8
323.07764	1.7
325.07153	1.8
329.06522	2.3
333.07721	0.8
337.06857	1.9
337.12741	0.8
339.08615	5.7
340.08716	0.6
349.07098	1.2
351.08423	0.8
355.08310	1.0
363.08469	1.0
365.10056	3.2
367.08044	1.4
373.09128	2.5
379.08087	2.0
381.09399	0.7
383.11191	11.8
384.11902	0.8
386.47946	0.6
389.10391	0.7
391.10156	4.7
395.11139	1.1
397.09058	1.0
401.12302	6.0
403.09943	0.8
407.11227	2.8
409.11102	1.9
413.12198	1.2
419.13327	6.4
425.12219	1.8
427.10406	1.8
443.13165	1.7
449.12494	1.1
475.13742	1.3
481.11475	0.9
511.16794	3.2
524.66370	0.6
529.13605	1.5
547.14246	0.8
565.15436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1913
Annotation	Pinocembrin 7-O-neohesperidoside
Peak:m/z	Relative Intensity
53.03941	1.1
53.92324	0.7
55.01864	1.2
55.05502	1.0
57.03180	1.0
57.03433	12.2
59.04985	1.0
61.02901	0.7
67.01835	1.3
67.05478	1.3
68.99788	1.2
69.03427	12.9
69.91747	4.5
71.04988	56.3
73.02896	1.1
75.04453	2.0
79.05475	1.1
81.03396	2.6
81.07033	1.8
83.04958	1.9
85.02901	69.5
85.06541	1.7
87.04446	1.3
91.05460	2.4
93.07037	1.7
94.50000	0.8
95.04935	1.0
95.08564	1.3
97.02869	3.2
97.06527	0.9
99.04440	1.1
103.05457	4.9
105.03400	1.1
105.07027	2.4
107.04933	2.2
107.08573	1.7
109.02854	3.3
109.06535	0.8
109.10194	0.9
109.28085	0.8
111.04416	1.9
118.35636	0.8
119.04977	1.0
119.08617	0.8
121.02872	2.6
121.06482	0.8
121.10085	0.9
123.04429	3.5
125.05998	1.0
127.03935	4.8
129.05470	18.5
129.06960	1.0
131.04913	16.6
133.10133	1.2
135.04395	2.1
137.02336	0.7
137.05992	1.1
137.09587	0.9
145.02815	1.6
145.06508	0.9
147.04370	1.3
147.06528	4.8
151.03850	1.7
153.01826	31.5
163.03853	1.8
165.01859	4.9
167.07028	2.9
171.02873	11.7
173.06024	1.3
175.03879	1.4
176.48038	0.7
177.01822	3.1
177.05432	4.9
177.09113	1.3
183.02887	5.8
189.01776	1.1
191.03358	6.3
191.06964	1.2
191.14198	1.0
195.02887	27.0
203.03384	2.0
207.02850	2.0
207.06520	1.5
209.04297	1.0
213.04015	1.7
219.02872	8.0
221.04382	1.2
231.02875	2.3
233.04414	0.7
237.03877	1.5
243.02957	1.3
245.04422	3.5
249.03899	1.0
257.08075	100.0
261.03842	3.8
263.05405	2.3
266.30054	0.8
269.08047	10.8
271.06171	0.9
281.08255	6.4
283.05936	0.7
293.08270	1.0
295.05960	3.2
295.09061	0.7
299.09161	21.2
299.12476	1.4
308.31506	0.7
309.07483	1.0
311.05408	0.8
321.07520	1.2
323.09152	15.8
325.07083	2.3
326.08667	0.7
333.07541	2.5
335.09125	4.5
337.06891	1.5
347.09085	1.9
349.06979	1.1
349.10681	3.2
351.08508	0.7
353.10217	1.8
358.43439	0.8
365.10190	5.0
367.11734	8.2
375.12274	1.0
379.08057	2.7
383.11368	4.5
385.12589	3.4
391.07767	1.1
401.12210	6.7
403.13840	4.4
409.08881	2.0
419.13513	5.5
425.11682	0.9
427.10034	2.1
457.11432	0.9
499.11905	0.9
511.12314	2.4
565.16711	1.2
565.20825	1.2
565.29559	1.9
565.37225	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	565.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01870	3.1
55.05507	2.9
57.03430	2.6
61.02923	2.5
67.05504	5.5
68.99786	2.2
69.03429	12.7
69.07061	3.5
70.06589	2.0
71.05000	3.3
71.62926	1.5
72.08150	4.5
73.02914	2.4
73.34014	0.9
75.04467	1.1
78.83164	1.0
79.05492	5.0
81.03417	11.9
81.07055	7.0
83.04996	2.0
83.08635	1.2
84.08140	1.6
85.02905	22.3
85.06534	3.6
86.09677	1.2
87.00829	4.2
91.05475	9.2
93.07038	6.5
95.04958	5.4
95.08607	4.6
97.02876	12.4
97.06525	1.3
97.67117	0.9
99.04449	3.7
100.11285	1.1
103.03915	1.3
103.05463	3.9
105.01877	2.0
105.07028	12.2
107.04948	4.2
107.08575	5.5
109.02875	9.9
109.06511	2.4
109.10138	4.4
111.04452	1.6
117.07005	3.9
119.04916	4.7
119.08582	4.4
121.02855	4.0
121.06548	5.5
121.10135	2.8
123.04423	68.9
123.08067	1.3
123.11722	2.0
124.04722	1.0
127.03916	19.9
129.06998	3.2
129.95998	1.0
131.04881	1.5
131.08540	2.4
133.06462	2.9
133.10144	6.9
134.06052	1.0
135.04359	1.2
135.08031	6.5
135.11691	2.4
136.05203	1.2
137.06012	5.8
137.09601	4.0
137.13278	1.7
143.08548	1.2
145.02838	1.5
145.04951	3.5
145.06485	2.9
145.10095	2.1
147.04411	12.7
147.08075	1.3
147.11722	2.2
148.04810	1.4
149.05971	22.0
149.09628	4.1
149.13281	1.7
151.07559	3.8
159.02895	2.6
159.08032	1.2
160.05205	2.1
161.05959	4.9
161.09581	6.5
162.06799	5.1
163.03926	1.2
163.07533	48.3
164.07942	1.4
165.05450	5.1
165.09091	4.6
167.07034	16.8
173.05989	2.1
173.13309	1.7
174.06738	3.0
175.03935	1.1
175.07553	3.5
177.05724	2.1
177.09103	62.2
179.07004	1.4
181.05008	2.1
181.08617	15.5
182.09140	1.1
185.06021	1.0
189.05450	1.9
189.09096	12.7
191.06914	1.8
191.14308	5.2
191.17943	2.0
193.08612	1.6
195.02888	2.4
195.10097	1.0
199.07544	1.2
205.08565	14.2
205.19513	1.6
207.02693	1.1
207.06509	2.0
207.10065	1.1
215.07007	1.9
217.04947	1.4
217.19478	1.0
219.10072	1.5
221.04535	1.5
231.10095	1.8
239.10732	1.1
245.57765	1.0
271.06076	1.2
273.07199	1.5
281.08340	1.1
281.11649	1.3
285.11209	3.1
286.11499	3.5
295.05969	5.1
297.11148	2.2
299.12772	100.0
307.05981	4.5
308.06635	1.9
309.07416	1.9
316.13135	1.9
317.13657	9.2
321.07654	5.5
323.12714	10.1
323.16296	1.4
325.07065	7.0
333.07477	1.4
337.06900	4.7
341.13797	17.1
345.07767	1.4
349.07138	3.9
351.08554	1.8
355.15076	1.6
361.07028	2.3
363.08838	1.7
365.13861	4.7
373.06982	1.6
375.08893	1.5
379.08032	6.7
385.34662	1.4
391.08154	4.0
397.09268	1.4
407.14917	2.9
409.08954	5.6
427.10205	9.2
433.09039	1.7
439.10095	1.5
457.10971	1.8
466.23050	1.3
469.11328	1.9
481.11246	4.5
499.12173	3.2
511.15448	6.2
521.30609	2.1
529.13062	4.6
547.18188	31.1
565.29327	3.3
565.37134	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80074	1.8
55.01859	4.5
55.05507	3.5
57.03437	24.1
57.03700	3.2
67.01853	3.5
67.05496	5.6
68.99797	3.5
69.03423	53.3
69.07076	2.7
69.10350	1.6
69.29611	21.5
70.06565	2.9
71.04989	66.0
72.08153	3.8
73.02914	9.9
75.04478	35.7
79.05481	6.5
81.03419	11.3
81.07050	7.2
83.04976	8.7
85.02899	90.9
87.04407	2.7
91.05489	9.8
93.03412	2.5
93.07037	5.8
95.04971	10.0
95.08607	5.0
97.02884	23.3
98.21506	3.3
99.04449	6.1
101.06030	2.3
103.05489	2.2
105.07031	6.4
107.04945	15.6
107.08595	3.4
108.41901	1.6
109.02869	11.0
109.06509	4.0
109.10123	3.9
111.00785	1.8
111.04431	11.0
113.05982	2.1
117.07047	3.3
119.04920	14.1
119.08579	2.9
121.02858	9.6
121.06487	7.5
121.10148	2.6
123.04414	8.3
125.05982	3.3
127.03912	13.8
129.04576	3.0
129.05460	18.9
129.07021	2.6
131.04918	3.8
133.06464	3.4
133.10106	3.8
135.04404	25.5
135.47304	1.8
137.05977	7.3
145.02849	2.5
145.06534	2.9
147.04396	44.6
147.06483	2.9
149.02338	2.6
149.05971	3.8
151.03896	4.0
151.07581	3.9
153.01822	51.9
153.05450	3.2
161.06003	4.5
163.03931	7.0
164.91808	1.9
165.01823	21.0
165.30087	1.9
167.03314	2.0
167.07031	37.6
171.02911	15.5
173.13194	2.0
175.03935	4.0
175.07451	3.3
177.01767	11.5
177.05458	6.7
179.03384	5.7
181.05002	2.7
181.08612	2.8
183.02902	22.6
187.07526	4.1
189.05418	3.3
191.03383	27.9
191.08163	7.5
191.14441	2.6
193.04913	4.3
193.08617	2.9
193.78204	1.8
195.02875	100.0
203.03369	18.5
203.91896	1.9
207.02805	10.2
207.06461	3.0
209.04521	3.1
213.03822	3.8
215.03409	2.0
217.04984	12.7
219.00716	3.3
219.02869	63.3
221.04427	8.0
223.02441	2.5
227.03331	2.7
235.05974	2.5
237.03920	6.8
241.05110	2.0
245.04449	51.7
249.04022	2.6
255.06511	3.0
257.04492	3.1
261.03958	5.9
263.05472	50.2
271.06119	2.5
273.07535	69.7
279.06522	2.4
281.06403	10.4
283.05829	4.4
285.07535	12.6
287.05441	7.2
294.04974	1.8
295.05933	10.1
297.07568	8.4
305.06302	3.5
307.05927	5.7
307.12872	4.0
308.06836	2.8
309.07498	3.7
311.05624	2.4
315.08621	23.4
321.07620	7.0
323.08044	3.0
325.06998	11.9
325.14096	2.2
329.06604	5.8
333.07654	3.3
335.09088	3.7
337.06985	8.1
337.10593	2.9
339.08594	47.0
347.07837	3.1
349.07028	6.0
351.08667	5.4
361.07095	2.8
363.08344	4.6
365.10220	18.9
365.22824	2.7
367.11969	2.4
373.09055	2.2
379.08194	9.3
383.11224	60.5
391.10406	10.9
397.08762	2.5
401.12289	36.5
403.14691	3.3
409.09415	6.3
419.13348	56.9
421.16040	2.5
427.10306	10.9
443.13391	3.2
457.11111	3.5
467.13074	2.9
469.11240	3.8
481.11322	2.4
499.11935	4.8
511.12381	7.0
565.29163	4.1
565.37231	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	565.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36657	1.3
55.01867	3.3
55.05492	4.8
57.03432	13.6
58.32600	1.7
62.66267	1.8
64.62849	1.5
67.01852	2.8
67.05514	3.9
68.99804	2.3
69.03423	45.9
69.03806	2.5
69.07081	3.9
70.06590	3.1
71.04987	61.8
72.10114	1.7
73.02914	4.6
75.04462	3.0
79.05481	5.0
81.03412	7.5
81.07056	7.6
83.04980	10.7
83.08595	2.3
84.08121	3.0
85.02895	92.4
85.06552	2.0
86.44740	1.5
87.04476	1.9
91.05467	8.2
91.86632	1.5
93.03374	1.8
93.07056	4.3
95.04961	7.3
95.08600	6.1
97.02859	8.1
97.06532	2.5
98.20744	3.0
99.04449	5.2
105.07021	6.6
107.04946	13.1
107.08602	5.0
109.02860	11.1
109.06519	2.4
109.10119	2.1
111.04434	10.2
115.05463	2.3
119.04926	8.4
119.08517	2.2
121.02849	8.0
121.06506	3.8
121.10084	2.5
123.04429	7.3
123.11692	2.4
125.02341	3.7
125.05992	3.4
127.03917	20.1
129.05461	20.3
131.05069	1.9
133.02895	1.8
133.06512	2.3
133.10120	5.8
135.04405	21.2
137.05959	9.0
137.09624	2.6
141.01749	2.7
145.02835	3.2
145.04964	2.3
145.06502	1.5
147.04411	33.2
147.06534	4.6
147.11719	2.3
149.05905	4.3
151.03870	4.3
151.07584	1.7
153.01811	37.8
153.05463	3.7
161.05986	4.0
163.03879	5.8
165.01826	12.3
165.52103	1.8
167.07021	16.1
171.02864	17.6
171.04277	2.6
173.05891	2.0
173.13222	2.8
175.00073	1.8
175.03955	4.0
177.01773	9.4
177.05518	5.3
179.03392	4.0
181.04965	4.1
183.02872	17.8
187.07457	2.0
189.05441	2.8
191.03368	17.1
191.14275	4.4
193.04964	3.6
193.08557	2.6
195.02866	100.0
201.05487	3.1
203.03349	14.1
205.08591	2.1
207.02866	6.2
207.06508	4.5
209.04385	3.2
213.03902	2.1
217.04997	8.3
219.02875	39.2
221.04506	9.1
225.03903	2.2
233.04366	3.3
235.05855	2.7
237.03960	5.1
245.04419	43.4
255.06499	3.6
257.04459	2.2
261.03922	5.9
263.05505	46.3
269.04608	3.3
271.06012	6.8
272.06207	2.3
273.07535	60.6
281.06506	9.8
285.07532	10.6
287.05450	3.7
295.05960	10.7
295.08926	1.8
297.07538	14.4
305.06610	2.1
307.05933	5.2
308.06903	2.0
309.07635	4.1
309.11166	1.7
311.05698	3.0
313.06973	3.2
315.08527	29.5
315.11783	2.4
317.06351	2.2
320.06506	2.7
321.07556	4.0
323.07559	3.7
325.07013	7.5
329.06424	2.9
333.07578	1.8
335.09326	2.9
337.07156	8.0
337.10828	2.2
339.08633	30.6
349.07028	5.0
351.08661	5.6
355.08011	2.2
361.06821	2.2
363.08554	3.2
365.10107	18.2
373.09250	2.0
379.08139	8.9
383.11212	64.6
389.10074	2.7
391.09802	6.9
397.09125	3.3
401.12271	31.6
403.15482	7.1
407.11227	2.4
409.09296	5.3
411.10864	1.9
419.13339	47.7
425.12244	3.7
427.10129	12.6
431.11017	1.9
445.11041	3.0
457.10794	2.6
467.13223	1.9
469.10977	3.7
481.11655	3.9
499.12088	3.4
511.11670	8.2
529.13458	7.2
547.13397	3.0
565.20721	11.5
565.28558	3.7
565.36652	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	565.1906
Annotation	Cascaroside C
Peak:m/z	Relative Intensity
53.03922	1.4
55.01830	1.2
55.05469	1.1
57.03387	2.2
59.04996	4.5
61.02873	1.8
67.05444	0.8
69.03423	10.3
69.07011	1.7
70.06551	1.5
70.39937	0.5
71.01287	0.6
71.04961	0.7
71.62971	1.1
72.08096	2.4
73.02876	1.0
79.05437	1.2
81.03417	4.2
81.06994	2.4
83.01299	0.6
84.08085	1.2
85.02897	20.6
85.06511	0.8
86.09670	0.9
87.04404	1.8
87.17097	0.5
91.05420	1.5
93.06997	1.2
95.08542	1.8
97.02881	7.4
99.04394	1.5
99.06129	0.5
101.02351	0.6
103.03878	0.6
105.01792	0.7
105.06993	1.0
107.04884	0.9
109.02866	4.4
109.10107	0.8
109.27523	0.7
115.03909	0.8
115.78436	0.6
119.04863	1.2
119.08511	0.7
121.02872	4.0
121.06455	0.6
123.04359	1.1
123.11618	0.6
127.03905	8.1
133.06396	0.6
133.10052	1.0
135.11632	0.7
137.02298	1.4
137.05948	0.8
145.02780	1.1
145.04904	1.5
147.04442	2.7
147.11665	0.7
149.13240	0.8
150.03087	0.9
153.01746	1.7
159.11589	0.6
160.66463	0.5
161.05896	0.8
163.03961	0.7
163.07512	0.7
165.01790	2.1
165.05458	0.6
167.07022	2.8
169.07509	0.6
169.54655	0.5
175.03900	1.8
175.07582	0.6
177.05368	0.9
178.02618	0.9
179.03300	2.8
181.04878	0.6
189.01808	0.7
191.14172	0.6
193.08554	0.9
195.02824	0.8
196.03607	2.0
199.04065	0.6
203.03349	0.8
207.02875	0.7
223.05989	0.7
227.06908	0.8
236.16478	0.6
239.06973	1.6
255.06456	2.7
256.07306	1.9
267.06332	3.8
269.04276	0.6
271.05984	24.8
279.06665	0.7
280.07480	0.6
283.05948	1.9
284.06671	1.1
287.05515	4.0
294.05267	1.5
295.06009	11.8
296.06897	0.7
297.07516	2.3
298.04703	1.0
299.25980	0.8
300.06216	0.7
301.07010	1.3
307.06079	3.7
309.07526	2.7
311.05569	8.7
311.09024	1.1
312.06232	22.9
313.07025	3.8
317.06421	1.4
321.07529	2.0
323.09088	0.7
324.06201	2.1
325.06949	4.8
327.08603	77.7
328.09006	0.7
329.09933	1.1
333.07480	1.1
335.08914	0.7
337.07092	2.9
338.07730	1.1
339.08569	7.3
339.12140	1.1
349.07275	2.6
351.08691	2.5
352.09296	1.6
357.09619	3.7
361.06824	1.2
367.11749	5.7
369.09625	1.0
379.08167	3.7
385.12808	55.8
386.13153	1.1
391.08170	2.3
397.08862	0.8
403.13889	100.0
404.14584	1.1
409.09210	2.4
427.09875	3.3
451.10480	0.9
457.11087	1.3
481.11316	1.6
493.11502	1.2
499.12814	1.0
511.12360	3.2
529.13489	1.9
547.18677	4.4
565.18835	7.4
565.26019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.05515	0.2
55.01866	0.9
57.03424	0.7
61.02918	0.7
69.03423	2.4
69.72799	1.3
69.73212	0.4
71.04982	0.5
73.02911	0.6
76.82074	0.2
81.03408	2.1
82.25779	0.2
85.02898	5.7
87.04465	0.6
89.58221	0.2
91.05525	0.3
97.02882	3.6
98.74453	0.3
99.04459	3.4
101.47485	0.2
103.03929	4.8
107.04967	0.3
109.02866	3.1
115.03901	0.5
119.04925	0.7
121.02872	3.6
121.06515	0.3
127.03908	100.0
128.04250	0.7
133.04971	0.3
145.02840	0.8
145.04955	4.0
147.04396	0.4
163.06017	1.4
175.06020	0.3
175.44717	0.2
187.03993	0.4
187.06013	1.0
189.01839	0.5
191.03403	0.5
195.02859	0.6
203.03371	1.3
207.02869	1.0
215.03398	0.4
217.04959	0.5
219.02866	0.4
221.04489	0.4
233.04381	0.4
245.04565	0.4
268.07309	0.5
271.08096	1.0
273.03903	0.5
279.06616	0.6
283.06009	0.6
289.08994	0.6
293.08011	0.5
294.05151	1.5
295.05975	6.0
295.09299	0.3
296.06723	0.7
297.07535	0.7
305.08002	0.5
307.06079	4.0
307.09607	0.5
308.06741	1.2
309.07648	1.6
317.08112	0.6
319.05945	0.5
320.06696	0.7
321.07565	3.7
322.08298	0.5
323.08942	0.5
325.07016	5.5
329.08188	0.4
333.07474	1.9
335.09085	1.9
337.07034	4.2
339.08762	0.8
345.07535	0.8
347.09109	0.6
349.07010	4.3
351.08685	2.0
355.08258	0.7
359.09259	0.4
361.06985	1.9
361.10880	0.6
362.07932	0.4
363.08643	2.2
367.08160	0.6
373.06879	1.1
373.10983	0.3
375.08743	1.0
379.08200	5.5
380.08313	0.3
387.08624	0.5
391.08051	4.8
397.09317	0.8
399.08426	0.3
401.10336	0.7
403.07983	0.8
409.09119	6.8
410.09372	0.3
415.08218	0.6
421.09003	0.6
427.10248	9.7
428.10535	0.5
433.08902	0.7
433.13968	2.3
439.10181	0.4
445.10538	0.9
451.10172	0.7
457.11322	1.3
463.10129	0.6
469.11438	0.8
475.10992	1.0
481.11407	3.0
493.10928	1.6
499.12424	2.6
511.12299	6.5
512.12885	0.4
512.95740	0.3
529.13385	3.7
547.14264	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	565.1554
Annotation	Apiin
Peak:m/z	Relative Intensity
52.45548	0.1
53.03936	0.1
55.01866	0.1
57.03416	0.3
61.02906	0.1
67.01870	0.4
68.99799	0.2
69.03407	0.3
70.06564	0.2
70.11377	0.3
72.08142	0.3
73.02906	0.4
79.05476	0.1
79.64577	0.1
80.04275	0.1
81.03415	0.2
81.07068	0.1
84.08143	0.1
85.02907	0.7
86.09639	0.1
86.74100	0.1
91.05466	0.4
95.04951	0.1
97.02882	0.6
99.04424	0.1
103.03941	0.1
103.05462	0.1
105.07023	0.2
107.04961	0.2
107.08544	0.2
109.02882	0.3
109.06532	0.1
115.03905	0.1
119.04923	1.9
119.08560	0.1
121.02861	1.0
121.10133	0.1
123.04443	0.1
127.03917	0.7
129.01797	0.1
133.02829	0.1
133.10056	0.1
137.05983	0.1
137.09552	0.1
145.02838	0.5
147.04408	0.5
149.09583	0.1
153.01816	3.5
161.05969	0.1
163.03841	0.4
167.06975	0.4
171.02887	0.6
173.05890	0.1
177.05452	0.3
181.04939	0.2
187.03883	0.3
191.03409	0.1
195.02921	0.2
197.05962	0.1
203.03450	0.2
205.05061	0.1
207.02870	0.1
207.06398	0.1
209.13968	0.1
213.05568	0.1
215.03294	0.1
217.04910	0.1
225.05492	0.3
229.04935	0.3
231.23895	0.1
233.04503	0.1
243.06425	0.3
247.06042	0.2
262.14423	0.1
271.05991	100.0
272.06326	2.0
283.06079	0.3
284.06793	0.2
287.05539	0.3
292.07062	0.1
293.07822	0.1
294.05029	0.2
295.06058	1.5
296.06534	0.1
297.07404	0.2
307.06061	0.8
308.06683	0.2
309.07605	0.7
313.07224	0.4
319.05939	0.1
321.07663	0.8
323.09097	0.1
325.07050	1.0
333.07419	0.5
334.08456	0.1
335.09189	0.3
337.06940	0.9
339.08713	0.2
345.07385	0.1
347.09332	0.1
349.06973	0.8
349.10672	0.1
351.08447	0.4
355.08130	0.1
359.09293	0.1
361.07114	0.7
363.08606	0.2
367.07910	0.5
373.07004	0.1
379.08124	1.3
385.09024	0.2
387.08502	0.1
391.08185	0.6
397.09146	0.4
403.09659	0.3
409.09116	0.8
415.09344	0.2
421.09274	0.3
427.10287	1.0
433.11270	0.5
439.10095	0.2
445.10898	0.3
451.10168	0.1
457.10919	0.3
463.10043	0.2
469.11124	0.2
475.10846	0.2
481.11310	0.6
489.13748	0.2
493.11145	0.4
499.12314	0.3
511.12335	1.3
529.13214	1.0
547.13678	0.4
563.28040	0.1
565.15112	0.6
565.21942	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	565.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
61.02915	5.2
62.35390	2.1
65.03925	2.1
68.99781	2.1
69.51861	17.9
81.03398	2.3
85.02870	2.7
107.04974	2.2
109.02872	3.0
119.04934	10.7
121.01994	2.4
121.02861	48.2
135.04396	2.3
145.02831	6.6
147.04411	3.1
156.32376	2.2
159.04289	2.4
162.28371	2.2
163.03894	2.1
175.03931	2.5
177.01837	2.4
179.03409	4.0
187.03986	2.8
189.01775	9.9
191.03418	10.2
195.02858	7.8
199.03873	2.8
201.05458	3.4
203.03378	15.1
207.02911	16.1
209.04514	3.7
215.03326	6.4
217.04964	7.8
219.02858	8.4
221.04482	7.8
229.04884	4.8
229.18321	2.0
231.02913	2.5
231.06560	2.0
233.04431	7.0
243.02910	4.1
245.04366	3.2
251.07086	2.5
253.05045	3.2
255.02676	3.2
257.04459	3.9
258.78714	2.1
267.06461	3.0
268.07291	5.8
279.06540	10.9
280.07242	3.7
281.08102	7.3
283.06052	12.4
284.06885	2.8
289.09140	2.4
291.06461	5.1
292.07050	2.3
293.08063	7.3
294.05234	22.6
295.06000	100.0
296.06659	8.4
297.07510	13.2
305.08109	3.3
307.05963	68.8
307.09247	3.1
308.06772	17.0
309.07510	21.0
317.08063	3.2
319.05969	7.9
319.09549	2.8
320.06741	5.8
321.07507	43.1
322.08463	13.5
323.05603	3.5
323.09122	8.9
325.07062	75.1
333.07495	18.0
334.08682	2.4
335.05588	3.4
335.09134	14.0
336.06079	3.3
337.07031	55.0
339.08716	3.4
345.07605	4.8
347.09198	13.5
349.07028	32.2
349.10721	3.0
350.07587	2.5
351.08633	25.9
355.08066	10.2
359.09100	4.8
361.06982	25.1
361.10727	3.2
363.08609	9.8
365.10126	6.4
367.08215	7.9
373.06921	7.4
375.08466	9.1
377.10391	3.9
379.08118	69.7
387.08514	4.8
391.08069	26.0
393.10101	2.9
397.09143	47.6
401.10220	2.8
403.07922	15.8
405.09656	4.3
409.09128	36.4
415.10223	15.3
417.09604	2.8
419.11255	4.1
421.09198	19.2
427.10315	26.2
429.09219	3.0
433.09299	15.3
439.10464	17.5
445.11310	30.8
451.10315	24.7
457.11282	43.6
463.09888	3.9
465.11575	2.2
469.11349	45.1
469.17462	1.9
475.10052	7.8
481.11240	29.4
488.15942	2.2
493.11163	24.7
499.12457	26.6
511.12326	39.2
529.13361	43.8
547.14325	23.1
563.32050	2.4
565.15100	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	565.1546
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
55.01863	4.3
57.03425	1.6
57.63028	1.7
61.02916	2.3
65.83699	1.6
69.78737	10.6
75.08989	1.7
85.02899	3.9
93.03364	1.5
94.18984	1.2
98.20823	2.3
103.03942	2.7
107.04965	2.1
111.04459	2.1
115.77841	1.6
119.04935	5.7
121.02862	30.3
145.02844	2.8
179.03397	2.1
187.03931	3.0
189.01875	4.4
191.03371	2.9
195.02914	6.8
203.03358	7.7
205.05136	2.2
207.02884	4.9
215.03391	3.7
217.04985	5.7
219.02750	3.1
221.04489	5.1
227.03302	2.1
229.04938	2.3
231.06570	1.8
232.67310	1.4
233.04430	2.0
243.02838	2.3
245.04480	3.5
261.03992	1.8
267.06589	2.4
268.07220	2.9
279.06607	3.4
280.07208	1.7
283.06049	5.8
284.06949	1.6
291.06653	2.0
293.08054	3.4
294.05237	13.5
295.06000	61.3
295.09302	3.0
296.06720	4.8
297.07544	6.9
305.08096	3.1
307.05991	40.5
307.09482	2.8
308.06732	13.7
309.07468	14.0
313.07114	3.0
317.08270	2.2
319.05893	3.3
320.06769	5.3
321.07544	29.2
322.08264	8.2
323.05655	2.0
323.09195	6.2
325.07059	50.7
329.08044	3.0
333.07486	17.5
334.08350	3.6
335.05347	1.5
335.09100	20.2
336.06317	4.3
337.07028	39.9
339.08560	4.1
345.07544	11.2
347.09143	5.4
349.06989	36.8
350.07675	2.9
351.08566	18.9
355.08249	9.5
361.07028	21.9
361.10947	2.1
362.07678	2.3
363.08597	25.7
367.08127	4.2
373.06992	13.3
373.11093	1.9
375.08548	6.8
379.08096	57.2
380.27237	1.6
387.08594	5.3
389.10373	2.2
391.08096	49.7
391.13004	3.2
392.08316	2.2
393.09271	1.8
397.09192	9.4
399.08862	2.0
401.10147	3.1
403.08096	8.7
405.09445	1.8
408.74405	1.7
409.09146	76.8
410.09726	1.9
415.07941	8.1
417.09601	2.8
419.11438	1.9
421.09100	5.6
427.10239	100.0
428.10446	2.9
429.09839	2.5
433.09158	11.0
439.09955	3.5
445.10822	13.8
451.10123	5.5
457.11267	15.9
463.10037	7.4
469.11121	8.2
475.11426	10.4
481.11237	37.7
486.38486	1.6
493.11154	17.1
499.12329	30.6
511.12393	72.0
512.12042	2.4
529.13428	43.7
547.14374	22.5
565.15546	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
57.03428	1.2
57.98608	0.9
61.02925	2.1
65.03951	1.1
70.79048	1.0
70.79372	2.1
85.02905	2.9
91.05478	1.2
93.03402	1.5
95.04945	1.1
98.73959	0.8
98.98090	0.9
100.69122	0.8
103.03920	1.7
107.04939	2.4
109.02825	1.3
111.04473	1.0
119.04936	7.6
121.02854	35.2
131.17085	1.0
132.64481	1.0
135.04417	2.0
139.03906	1.2
145.02829	4.7
145.06523	1.2
147.04321	1.1
159.04390	1.4
161.02428	1.4
163.03896	2.5
171.04382	1.5
177.01877	1.7
177.05434	1.3
179.03418	2.2
187.03966	2.8
189.01779	6.4
189.05492	1.2
191.03278	4.8
195.02934	7.5
199.03911	1.6
203.03355	10.4
205.05061	2.5
207.02890	9.0
207.54515	1.1
209.04410	1.7
213.01569	0.9
213.05472	1.3
215.03343	8.0
217.04906	6.8
219.02843	4.0
221.04420	4.2
227.03300	2.2
229.04967	1.6
231.02850	2.3
233.04500	4.5
241.04839	1.3
243.02812	3.3
245.04453	3.1
251.07124	2.1
255.02922	1.8
261.03934	1.9
267.06268	2.2
268.07303	3.5
269.04276	1.0
273.03845	2.2
279.06546	4.0
280.07278	2.3
281.08060	4.2
283.05957	5.3
284.06830	1.3
291.06598	1.9
292.00754	1.0
292.07281	3.0
293.08148	5.2
294.05206	13.5
295.05984	59.3
296.06726	4.8
297.07474	6.0
298.07983	1.1
304.07361	1.4
305.08102	3.3
306.08899	2.3
307.05978	40.2
307.80127	1.0
308.06827	13.7
309.07516	15.9
313.07083	3.4
317.08145	3.4
319.06027	6.7
320.06738	7.2
321.07544	34.9
322.04993	1.2
322.08215	5.0
323.05463	3.3
323.09122	4.9
325.07013	48.3
329.08084	3.7
333.07498	18.3
334.08365	5.1
335.05280	1.9
335.09085	17.3
336.06293	3.6
337.07050	40.1
337.11127	2.0
339.08606	4.9
345.07489	11.5
347.09097	5.6
348.06299	1.2
349.07016	37.0
350.07547	1.6
351.08615	18.6
355.08151	9.0
359.09021	2.0
361.02878	1.0
361.07034	24.4
361.10736	1.3
362.07602	1.3
363.08545	24.5
367.08047	6.3
371.09198	1.2
373.06912	9.9
373.10861	1.8
375.08737	5.9
379.08087	44.0
387.08704	5.5
389.10388	1.6
391.08072	45.7
401.10196	2.9
403.08087	7.1
405.09680	2.0
409.09158	63.2
410.09222	1.9
415.08105	5.3
417.09732	2.8
421.09253	4.5
427.10226	100.0
428.10464	2.2
429.09503	2.6
433.09073	8.4
439.10159	3.7
445.09851	5.5
457.10965	8.3
463.10114	4.1
464.86258	1.1
469.11655	1.0
472.69196	1.0
475.12042	9.4
481.11267	21.3
493.11252	11.3
499.12354	16.7
511.12338	69.3
512.12622	2.8
529.13336	34.0
547.14362	15.5
565.15387	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	565.1549
Annotation	Kachimoside
Peak:m/z	Relative Intensity
53.03949	1.6
55.01867	2.7
57.03428	2.0
65.03952	1.3
68.99811	1.7
69.03418	5.1
70.06586	2.5
70.88116	3.0
70.88445	1.4
71.04996	1.9
71.47748	1.3
72.08152	4.3
73.02915	2.3
80.01476	1.1
81.03448	1.6
81.07025	1.9
83.01317	1.3
83.04980	1.7
85.02910	7.2
86.09724	1.6
87.04478	1.4
91.05482	2.5
95.04964	1.9
97.02859	7.6
99.04472	1.5
103.03958	1.3
105.07062	1.3
107.04955	3.0
109.02888	3.5
111.04470	2.0
115.03922	1.4
119.04944	9.0
119.08537	1.3
121.02867	21.8
127.03918	7.9
131.04941	2.0
133.04974	1.9
137.05933	1.7
143.10497	1.2
145.02876	4.4
147.04390	9.2
153.01804	4.6
155.22008	1.2
159.04495	1.6
161.05974	1.4
163.03966	2.4
167.07028	3.0
176.96201	1.3
177.05507	1.8
179.03336	1.2
187.03934	2.2
189.01880	3.0
191.03418	2.9
195.02908	7.9
203.03401	9.2
205.05000	3.0
207.02904	5.2
215.03391	7.4
215.06970	3.2
217.04959	3.4
219.03040	1.3
221.04398	4.9
231.02966	1.5
233.04475	4.8
236.13078	1.3
241.04945	2.5
243.02974	4.6
243.06523	3.2
243.08778	2.1
244.09554	2.1
267.06555	2.6
268.07410	1.6
271.06003	100.0
273.03998	1.6
279.06604	2.1
281.08173	1.3
283.05933	8.0
284.06393	1.3
285.03836	1.4
287.05478	3.8
291.06696	2.0
293.08032	1.4
294.05328	6.1
295.05994	69.6
296.06723	4.0
297.07581	5.3
299.05533	3.4
307.05994	30.3
307.09506	2.5
308.06812	8.0
309.04004	2.0
309.07510	16.0
313.07007	6.4
317.08090	3.7
319.05847	2.3
320.06790	3.6
321.07565	30.4
322.08231	4.2
323.05475	3.0
323.09143	5.8
325.07068	29.6
329.06888	1.6
333.07483	21.0
334.08447	2.5
335.05521	2.0
335.09061	11.6
336.06293	3.0
337.07043	21.9
337.10623	1.0
339.08582	2.7
345.07611	5.1
347.09195	3.5
348.06235	1.8
349.07071	38.7
349.11322	2.2
350.07809	2.3
351.08658	10.0
353.06537	2.5
355.08157	2.3
359.09109	2.5
361.07022	32.7
361.11169	2.2
362.07291	1.5
363.08490	8.4
365.06400	2.6
367.08112	7.2
373.07062	8.9
375.08554	5.5
379.08084	44.3
383.07581	3.6
387.08704	3.0
389.10306	2.0
391.08093	22.8
393.09476	1.8
397.09128	15.2
399.08575	3.5
401.09827	2.6
403.08041	7.6
405.09866	3.4
409.09225	19.1
415.09137	6.1
417.09570	2.5
419.10083	4.0
421.09146	5.5
427.10297	38.8
429.09903	3.1
433.10349	10.9
435.10712	2.0
439.10468	6.4
445.09500	11.5
451.10199	3.8
457.11197	15.5
463.10104	6.5
469.11182	5.3
475.10349	9.1
481.04990	2.2
481.11322	33.2
493.11398	14.4
499.12350	17.7
511.12357	67.9
512.12738	2.5
529.13361	37.0
547.14520	24.9
565.14801	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	565.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26960	2.1
55.01866	5.8
58.30951	1.6
61.02921	3.2
68.99809	2.5
69.44370	16.2
85.02908	3.6
91.05485	3.6
93.03394	2.4
97.02855	4.0
98.20679	1.8
103.03944	2.2
107.04951	3.3
109.02914	3.0
119.04915	11.0
121.02853	48.8
135.04391	2.9
145.02850	7.7
147.04387	4.5
159.04408	2.9
163.03903	2.9
166.24834	1.9
177.01747	2.3
187.03975	2.3
189.01836	7.5
189.05545	2.0
191.03392	6.2
195.02829	10.2
201.01794	1.9
201.05617	2.7
203.03363	14.8
205.05058	3.4
207.02908	8.9
209.04503	2.2
213.05487	2.6
215.03416	6.9
217.04848	9.2
219.02925	4.0
221.04494	6.9
227.03392	4.5
229.04976	3.0
231.02936	2.1
233.04420	5.2
243.02815	2.4
245.04375	3.0
267.06421	3.6
268.07297	5.9
273.03854	3.8
277.08578	2.2
279.06549	6.6
280.07230	2.5
281.08054	5.1
283.05777	10.4
292.07428	4.6
293.08127	4.9
294.05161	20.6
295.05994	87.8
296.06766	8.9
297.07535	10.6
305.08090	3.8
307.06003	61.2
307.09399	3.9
308.06680	17.6
309.07535	25.4
313.06976	4.4
317.08014	3.7
319.06042	5.4
320.06674	7.0
321.03772	3.4
321.07538	50.5
321.11163	3.4
322.08228	10.4
323.05502	3.3
323.09070	7.1
325.07034	75.0
329.08035	3.6
333.07559	23.3
334.08371	4.8
335.05518	3.5
335.09024	21.3
336.06149	3.5
337.07053	52.9
337.11057	2.6
339.08688	6.0
345.07629	14.3
347.05408	2.3
347.09207	7.9
349.07016	49.5
350.07697	2.5
351.08627	27.5
355.08047	12.3
359.09280	2.7
361.07019	29.1
361.11093	2.5
363.08640	32.6
367.08081	8.4
373.06952	16.5
375.04572	2.1
375.08713	9.9
379.08090	94.9
387.08658	6.4
389.10373	2.8
391.08066	59.2
393.09753	2.4
397.09216	22.7
399.08618	4.6
401.10068	3.4
403.08054	12.7
405.09613	5.4
409.09146	88.0
415.09937	9.8
417.09882	2.3
421.09085	12.2
427.10245	100.0
428.10373	4.5
429.09650	6.0
433.09079	14.4
439.10236	9.1
445.10556	15.7
451.10046	12.7
457.11121	21.4
463.09998	9.0
469.11383	16.9
475.11011	12.4
481.11273	33.5
493.11365	23.8
497.87140	2.1
499.12323	26.7
506.75287	2.3
511.12350	72.4
529.13306	42.6
530.13489	2.0
547.14386	18.2
565.15375	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	564.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	0.3
61.54587	0.3
67.05470	0.4
69.03413	1.1
70.06579	1.4
71.04983	0.6
71.09201	0.7
71.09531	0.5
72.08150	2.3
73.02924	0.7
73.06554	2.2
79.05482	0.5
81.03400	0.6
81.07048	0.5
84.08149	0.7
85.02901	1.7
86.09679	0.5
87.04458	11.4
88.04803	0.4
89.06023	100.0
91.05462	0.6
91.07561	0.5
97.02883	1.5
103.03941	0.4
105.06986	0.6
107.05005	0.5
107.07055	3.8
109.02853	1.3
110.62948	0.4
113.06040	0.5
114.10331	0.4
117.09119	1.4
119.04924	1.3
121.02863	3.2
123.04463	0.5
127.03912	2.0
130.08611	1.2
131.07036	3.8
133.08588	64.5
137.05913	0.4
145.02852	0.9
145.04994	0.5
147.04391	3.2
153.01785	0.4
159.10121	0.5
161.11658	0.6
163.06082	0.5
167.03281	0.4
167.07042	1.0
173.05882	0.5
175.09702	2.5
177.11206	26.0
191.03352	0.5
195.02808	0.7
195.12274	0.5
203.03355	1.6
207.02867	0.5
215.03348	1.0
215.07185	0.5
217.04977	0.8
219.02895	0.7
219.12349	0.9
221.04305	0.6
221.13837	4.7
233.04434	0.7
239.14859	1.0
239.34877	0.4
243.93674	0.3
246.14798	1.3
261.04034	0.3
265.16330	1.3
270.04932	0.6
271.05978	7.5
283.05942	1.5
283.17542	2.0
285.07550	1.8
286.07895	2.1
294.05148	1.0
295.02817	0.7
295.05984	8.9
296.06903	0.5
297.07632	0.5
307.05997	4.1
308.06702	1.2
309.07446	2.0
309.18954	0.8
313.06897	1.1
317.08173	0.5
319.05927	0.5
320.06583	0.6
321.07623	3.9
322.08524	0.7
323.09216	0.8
325.07025	5.0
327.19986	1.5
333.07635	2.7
335.08945	1.2
337.07016	3.4
339.08224	0.4
343.38690	0.4
344.48584	0.4
345.07626	0.8
346.81549	0.4
347.09058	0.7
349.07053	4.4
351.08539	1.0
353.21555	1.1
355.08057	0.6
361.06885	2.8
363.08380	1.2
365.10312	0.5
367.07846	0.9
371.22656	0.9
373.06750	0.7
375.08630	0.9
379.08075	6.1
387.08514	0.6
389.10086	0.4
391.08130	2.9
397.09106	2.5
401.10629	0.5
403.07962	1.2
405.38071	0.4
409.08966	3.0
415.09921	0.8
415.25333	0.8
417.08960	0.4
421.09021	1.5
427.10339	3.6
433.09024	0.9
439.09653	1.0
445.10309	1.2
451.10083	0.9
457.11075	2.4
459.27826	0.5
463.09793	0.6
469.11273	1.2
475.10434	1.1
481.11200	3.8
493.11383	2.2
499.12256	2.1
500.42038	0.4
503.30103	1.4
511.12335	7.3
529.13324	5.0
547.14398	2.8
547.25464	0.5
547.33221	10.0
548.33618	0.7
564.35254	1.9
565.14709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01865	2.2
55.05510	8.5
57.03434	12.1
58.91109	1.1
60.41666	1.2
61.02910	4.5
61.04702	1.0
65.30810	1.1
67.05499	16.3
68.41536	1.1
69.03413	3.0
69.07057	8.3
69.45110	10.4
70.06602	1.3
71.04984	2.0
73.02882	1.5
79.05494	22.0
81.03406	2.8
81.07056	20.6
83.04964	2.4
83.08605	5.2
85.02915	7.0
85.06516	2.6
91.03951	2.0
91.05473	29.0
93.07039	23.4
95.04944	3.7
95.08601	17.1
97.02894	3.2
97.06530	2.6
97.10139	1.2
99.08087	3.8
103.05445	1.5
105.07024	26.7
107.04931	1.8
107.08585	15.0
109.06532	3.8
109.10159	5.5
111.04436	2.3
111.08103	2.8
113.05976	1.2
114.74249	1.1
115.03883	1.3
115.05442	1.4
117.07014	14.9
119.07292	1.3
119.08578	28.5
121.06463	2.1
121.10119	10.4
123.08084	2.3
123.11697	1.7
125.09582	1.5
127.03887	3.6
128.06200	2.2
129.05464	2.1
129.06973	10.5
131.07043	2.4
131.08562	19.8
133.10120	14.9
135.08043	2.2
135.11674	4.8
137.06029	1.0
141.06973	2.9
143.08533	7.3
145.10118	22.5
147.04379	2.4
147.08055	2.1
147.11681	12.8
148.10793	1.0
149.09618	6.7
149.13237	1.6
155.08525	3.5
157.10106	10.2
159.11682	28.4
161.09627	1.9
161.13248	7.5
163.11171	4.3
167.07053	2.3
169.10052	5.2
171.11678	5.7
173.13240	11.7
175.11192	3.6
175.14890	2.5
177.12732	1.6
181.10153	1.2
183.11685	4.2
185.13254	19.3
187.11205	1.6
187.14835	2.9
189.12706	1.2
191.14154	2.5
197.13289	3.2
199.14848	1.2
201.16487	2.3
203.14348	9.4
205.15848	2.8
211.14859	2.2
213.16391	1.5
215.18054	1.5
217.15921	2.0
219.17471	7.1
221.15419	1.5
229.19531	3.0
239.17921	15.2
257.18982	28.4
275.20050	28.3
277.17969	1.3
293.21143	2.1
295.06042	2.8
295.19159	1.1
308.83105	1.5
309.20648	1.3
325.06918	1.9
327.12012	1.4
331.22537	4.6
349.23709	100.0
364.73309	1.3
367.24780	3.4
379.07825	1.3
403.15350	3.9
425.84628	1.1
427.09985	1.2
457.25394	1.6
475.26572	1.5
493.27963	1.8
511.12247	2.5
511.28955	2.7
564.44098	2.0
565.20331	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
53.27180	2.0
55.01867	3.5
55.05508	8.7
57.03446	16.9
59.04999	1.7
61.02910	8.3
61.08551	1.5
64.24941	1.6
65.03927	1.9
65.16232	1.8
67.05163	2.4
67.05500	31.9
67.63538	1.6
68.52965	1.7
69.03424	10.8
69.07053	13.1
70.06596	2.4
71.04990	5.7
71.62958	3.7
72.08135	3.6
79.05483	25.8
81.03430	9.9
81.07053	35.5
83.04964	4.7
83.08595	7.0
84.08150	3.6
85.02898	16.1
85.06532	3.6
87.04456	3.0
89.92780	1.7
91.03948	3.5
91.05473	44.3
93.07042	34.9
95.04972	7.2
95.08601	27.3
95.66048	1.6
97.02878	8.4
97.06520	5.6
97.10163	2.9
99.08071	4.9
103.03931	2.5
103.05465	2.0
105.07021	54.5
107.04955	6.1
107.08585	21.7
109.02874	4.3
109.06526	8.5
109.10140	12.2
111.02676	1.8
111.04449	1.9
111.08037	5.0
115.03934	1.8
115.05496	2.9
117.07015	31.2
118.42815	2.2
119.04954	2.2
119.07788	2.9
119.08582	37.4
121.02858	6.3
121.06541	3.1
121.10133	17.2
123.04439	4.3
123.08051	2.6
125.09616	2.2
125.29777	2.0
127.03945	11.8
128.06235	2.3
129.06992	16.1
131.07047	4.0
131.08566	34.5
131.74388	1.7
133.06511	5.6
133.10123	24.6
135.08043	4.2
135.11696	7.2
136.07520	2.3
137.05986	2.4
137.09589	2.2
141.06978	6.5
142.07782	4.0
143.08556	17.2
145.10117	37.4
147.04430	6.0
147.08116	3.7
147.11699	16.6
149.05969	2.5
149.09593	11.1
149.13257	4.1
151.07535	2.4
151.11226	2.7
155.08534	6.3
157.10147	16.8
159.11697	37.8
160.24419	2.1
161.05980	3.7
161.09605	1.9
161.13255	10.4
163.03906	2.4
163.11185	8.4
167.07056	19.1
169.10106	8.8
171.11688	8.2
173.09700	1.9
173.13274	19.3
175.11182	4.5
175.14868	4.3
177.12788	2.9
183.11665	10.1
185.13242	31.0
187.07581	2.2
187.14835	3.7
189.57248	2.0
191.14386	2.6
193.08629	3.8
197.13292	4.1
199.14767	1.9
201.12778	2.2
201.16391	6.1
203.14323	15.1
213.16356	2.1
217.15973	2.2
219.17412	9.5
227.12801	2.3
229.19579	2.4
239.17908	20.3
257.18997	37.8
269.17441	6.5
275.20044	45.5
287.10718	2.4
293.21085	3.5
295.06003	6.2
295.19025	2.1
307.06064	5.1
309.07590	2.8
309.20474	3.7
310.07831	2.0
321.07632	3.7
325.07092	5.4
331.09656	2.1
331.22833	2.7
337.06921	2.1
349.06955	2.3
349.10754	8.2
349.23724	100.0
351.08582	2.3
361.10574	3.0
367.24741	5.8
383.22433	2.5
385.14182	5.2
391.08069	3.6
394.89246	1.9
402.14880	2.1
403.10028	3.6
403.15341	53.5
409.09079	4.0
419.24274	4.9
427.10114	5.6
481.10904	2.7
511.12354	4.3
529.13257	3.1
564.18243	2.2
564.44501	3.4
565.20892	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89183	1.0
53.03952	1.3
55.05505	5.5
56.02629	0.9
57.03433	2.2
57.07080	1.1
60.54455	1.0
61.02930	2.5
65.03954	1.2
67.05511	3.6
68.05034	2.7
68.99800	1.1
69.03426	14.0
69.07074	2.7
69.74450	5.4
69.74869	2.3
70.06593	15.4
71.04984	4.8
72.08147	9.0
73.02934	1.0
79.05486	2.8
81.03416	5.7
81.07055	8.0
82.06559	1.3
83.04980	3.5
83.08630	3.6
84.08143	4.0
85.02901	18.9
86.06065	6.2
87.04468	20.9
88.20181	0.9
90.05553	1.9
91.05489	3.9
93.07057	5.0
95.04960	8.5
95.08611	2.4
96.04504	3.3
97.02889	10.0
97.06509	2.6
97.10209	1.4
98.06052	100.0
98.09682	2.1
99.04438	8.8
101.06039	1.9
103.03937	5.4
105.07018	4.8
107.04958	2.6
107.08599	9.7
109.02858	6.3
109.06533	3.6
109.10184	3.0
110.06068	1.3
110.07170	1.4
111.04443	1.4
111.08149	1.2
112.07614	1.4
113.06091	1.0
114.09212	1.8
116.07085	13.8
116.98708	1.1
119.04972	3.1
119.08597	2.8
121.02857	1.5
121.10111	6.5
123.04385	1.5
123.08084	2.2
123.11673	1.9
124.07661	1.2
127.03911	62.6
127.07574	1.2
131.08577	2.3
133.10129	9.1
135.04399	1.4
137.05994	1.3
138.05479	5.3
140.05952	2.0
140.07056	43.8
143.45348	1.0
145.04990	2.6
145.10153	2.3
147.04398	9.9
147.11699	2.1
148.04764	1.5
149.13277	2.6
151.03993	1.2
151.11206	2.1
153.09167	1.7
156.06607	1.4
158.08150	14.7
163.03851	1.0
167.14334	2.1
173.13229	5.5
176.09172	20.4
177.05493	1.7
180.89488	1.0
191.14316	4.7
193.52174	1.1
207.06596	1.1
209.15340	7.6
218.10313	2.3
219.12091	1.1
237.02681	1.0
242.10516	1.3
253.04706	1.0
260.11438	3.0
266.10214	1.2
271.06000	1.3
278.12369	1.5
284.11453	2.5
295.06143	2.7
302.12375	7.8
307.06332	1.4
309.07492	1.2
311.08868	1.1
320.13388	63.9
321.07578	1.6
325.07196	2.9
335.09042	1.4
337.07254	2.9
338.14462	13.9
349.07187	2.0
379.08334	2.7
402.15598	4.7
409.09164	2.9
427.10422	4.1
433.13657	1.3
476.24884	2.4
481.11371	1.5
499.12408	1.2
511.12457	2.6
528.28253	6.0
529.13080	1.2
546.21136	0.6
546.29150	42.7
564.30292	63.6
565.15710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
53.32044	1.8
55.01854	3.3
55.05507	19.0
57.03430	7.5
57.07074	2.8
67.05501	68.8
69.06774	1.9
69.07066	19.0
71.04957	4.2
74.23149	2.1
76.99583	1.8
79.05484	35.5
81.07053	100.0
83.04978	5.1
83.08630	10.3
85.06503	5.0
91.05476	35.3
93.07033	41.9
95.01631	2.9
95.04939	7.8
95.08599	51.2
97.06507	5.5
97.10162	2.7
98.21598	3.8
99.08102	4.0
105.07020	34.4
107.08597	27.8
109.06490	3.8
109.10170	19.4
117.07012	6.2
119.08572	26.3
121.10134	33.7
123.08047	4.7
123.11695	26.1
125.09618	2.4
127.07594	2.4
129.07010	2.4
131.08562	12.7
133.10133	12.4
135.11682	13.8
137.09622	2.7
137.13220	5.0
145.10123	10.6
147.11678	52.2
148.52074	1.8
149.13226	9.7
154.21481	1.9
157.10124	3.0
159.11667	8.6
161.13226	5.3
163.14798	3.8
165.12775	21.9
169.67462	1.9
173.13232	6.9
175.11240	3.4
183.13820	3.3
185.13179	2.0
187.14827	3.0
229.14328	8.0
243.21089	8.5
244.53825	2.3
244.64748	2.3
261.22153	34.0
267.15915	48.7
279.23187	6.9
285.16946	39.3
317.24725	8.4
335.25763	63.7
353.26962	2.8
434.20480	2.7
453.33832	3.0
471.34869	2.2
471.42914	2.0
527.37219	5.6
545.38391	33.8
563.39203	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01856	1.6
55.05506	14.1
56.72663	1.1
57.03431	7.7
57.07084	2.4
63.34328	1.0
65.03922	2.8
67.05502	59.2
69.03426	1.7
69.07069	16.9
71.01346	1.2
71.04991	4.1
71.08630	2.2
79.05494	32.7
81.07052	100.0
83.04962	5.7
83.08618	9.8
85.06519	5.0
91.05473	28.5
93.07034	38.2
93.07621	2.0
95.04958	4.8
95.08601	50.7
97.06503	5.9
97.10159	2.6
98.21439	2.7
99.08082	3.9
100.68466	1.1
105.07024	38.3
107.08588	25.0
109.06511	5.3
109.10145	21.8
117.07001	6.1
119.08569	29.8
121.10135	29.6
123.08077	6.2
123.11691	29.3
125.09638	1.5
127.07560	2.9
129.06947	1.3
131.08566	11.6
133.10133	9.2
135.11714	12.2
137.09660	1.8
137.13242	5.9
145.10077	7.9
147.11678	59.2
149.09619	1.8
149.13222	9.7
157.10178	2.6
159.11713	5.8
161.13245	4.2
163.14848	4.1
165.12752	27.7
171.11703	1.2
173.13235	5.7
175.11162	2.0
175.14832	2.0
177.16386	1.7
181.40973	1.2
183.13823	3.5
187.14804	3.2
193.12231	2.2
201.16458	1.7
223.16771	1.1
229.14355	8.4
233.22659	1.5
241.99937	1.3
243.21088	9.3
250.29065	1.2
261.22131	32.9
267.15906	49.0
271.01547	1.3
271.07501	1.1
279.23248	4.6
285.16946	64.3
317.24802	8.2
335.25772	55.9
353.26797	3.9
453.33765	3.1
458.92258	1.4
471.34586	4.4
527.37402	10.1
545.30353	2.1
545.38306	32.8
563.39691	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	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65863	1.0
55.01881	1.1
55.05504	14.1
57.03440	8.3
57.07073	2.2
59.05002	1.1
65.03940	2.7
67.05498	56.0
69.07060	17.2
69.15299	0.9
69.33723	0.9
69.69722	8.2
71.05001	3.0
77.03947	1.3
79.05486	32.0
81.03416	2.5
81.07049	100.0
81.61208	1.2
83.04990	4.5
83.08611	8.5
85.06567	4.2
91.05470	26.2
91.06001	1.7
93.07031	36.2
95.04964	6.3
95.08601	43.5
97.06525	5.2
97.10174	2.8
98.21501	1.6
99.08116	1.8
101.06015	1.1
105.07024	35.8
107.04985	1.6
107.08588	27.1
107.09267	1.5
109.06534	3.9
109.10146	18.2
109.10817	1.5
110.66515	1.0
111.08077	2.4
113.06008	1.4
113.09661	1.8
117.07019	4.7
119.08560	26.6
119.09335	1.6
119.49485	1.3
121.10129	27.1
123.08082	4.1
123.11701	24.7
125.09588	2.0
127.07578	1.6
129.07021	2.3
131.08554	8.9
133.10130	9.4
135.11696	11.3
137.09628	1.9
137.13286	4.3
141.09148	1.1
145.10089	6.8
145.86510	1.1
147.11673	51.5
149.09607	1.7
149.13234	5.0
151.11197	1.5
157.10158	2.1
159.11653	6.6
161.13315	4.0
163.14754	5.3
165.12741	22.1
171.11693	1.1
173.13307	6.3
175.11253	1.6
175.14806	1.5
177.12807	1.3
177.16328	1.2
183.11790	1.0
183.13789	3.4
187.14854	2.6
193.12218	3.2
229.14325	6.9
243.21075	6.5
261.22107	29.9
267.15891	39.1
279.23218	6.0
285.16931	50.0
299.23514	1.2
305.24820	1.3
317.24698	6.5
335.25769	45.2
353.26981	3.5
453.33810	2.2
471.34607	2.9
527.36951	6.7
545.38293	27.6
563.39435	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01876	2.1
55.05507	15.7
57.03430	7.9
57.07060	4.1
57.20251	1.3
65.03951	1.8
67.05502	54.5
69.07066	15.4
71.04973	4.2
71.08626	2.1
71.63155	1.4
71.63609	2.2
79.05491	30.5
81.07052	100.0
83.04958	6.6
83.08630	10.1
85.06535	3.2
91.04900	1.5
91.05467	31.0
91.06007	2.4
93.07036	38.2
95.04958	6.2
95.08599	48.3
97.06521	5.2
97.10173	3.7
99.04425	2.0
99.08100	3.4
105.07021	35.4
106.81833	1.4
107.04930	1.5
107.08592	25.5
109.02853	2.4
109.06506	6.0
109.10143	19.4
117.07009	6.1
119.08572	28.8
121.10141	27.3
123.08060	6.0
123.11702	20.3
127.03899	3.8
128.06302	1.4
129.07001	1.7
131.08572	12.2
133.10112	14.2
135.08063	2.2
135.11658	13.1
137.13237	4.1
143.08571	2.1
145.10121	10.7
147.11679	42.8
149.09578	2.9
149.13225	6.6
151.14799	1.4
157.10146	5.9
159.11688	6.4
159.42651	1.5
161.13242	4.0
163.14816	4.4
165.12750	19.8
169.10172	1.4
171.01373	4.3
171.11609	2.1
173.01099	2.8
173.13292	9.3
175.11179	2.3
175.14789	2.2
183.11816	1.4
183.13823	3.7
185.13274	2.6
187.14781	3.1
193.12169	2.2
223.16991	1.6
229.14352	6.6
243.21115	9.8
247.65782	1.5
256.89069	1.5
261.22150	33.9
267.15909	41.1
279.23248	6.7
285.16949	38.1
317.24765	7.3
330.61429	1.6
335.25775	62.4
353.26923	2.2
471.34192	3.0
527.36957	6.5
545.30334	2.3
545.38361	33.0
563.39038	16.5
592.48456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
53.87206	3.0
55.01878	6.6
55.05508	42.5
57.03437	14.2
57.07069	5.7
64.21455	2.6
65.03944	4.7
67.05501	87.7
67.05865	4.3
69.03442	4.7
69.07066	25.5
70.66485	5.0
70.66837	7.4
71.04973	6.8
78.28550	2.3
78.29160	2.4
79.05495	47.3
79.72727	2.7
81.03403	22.4
81.07052	100.0
83.04965	16.4
83.08616	24.0
85.02908	11.7
85.06556	6.1
91.05473	49.6
93.07041	58.3
95.04966	20.8
95.08599	63.8
96.51351	2.4
97.06534	10.3
97.10171	19.0
99.08094	5.6
100.01816	2.5
105.07028	44.2
107.04984	4.2
107.08590	41.2
108.06224	2.5
109.06531	9.3
109.10149	38.6
111.04437	7.3
111.08083	10.0
115.05439	3.1
117.07014	19.0
119.08576	43.8
121.06476	4.7
121.10155	29.0
123.08081	6.4
123.11688	12.4
125.09605	14.3
129.06976	16.4
131.08575	36.6
133.10126	39.6
135.08084	9.0
135.11673	23.2
137.09651	5.2
137.13260	6.5
141.07033	2.9
142.07782	5.9
143.08533	13.6
144.09406	3.3
145.10123	33.6
147.08028	4.4
147.11685	20.0
149.09633	8.4
149.13266	11.8
151.11172	4.0
153.12755	5.7
155.08531	7.0
157.10155	17.0
159.11673	19.4
161.13251	10.0
163.11189	6.3
163.14749	3.0
163.73567	2.4
165.12808	5.2
166.37404	2.4
167.08658	2.5
169.10118	8.5
171.11720	10.9
173.13237	20.1
175.11198	11.1
175.14848	5.8
177.12639	3.8
181.12289	3.0
183.11668	6.4
185.13269	7.4
187.14828	7.8
189.11243	9.2
191.10655	4.7
191.14378	2.9
193.12219	25.8
195.11609	4.1
197.13309	10.5
199.14879	3.3
201.16418	3.2
203.14194	3.1
209.13365	3.7
211.13248	32.6
211.14983	4.8
213.16476	5.2
221.13260	3.2
223.14922	4.8
227.12769	16.2
229.14384	7.2
261.22141	12.0
267.15887	7.0
283.15567	3.6
285.16895	18.5
285.22128	8.0
299.23746	4.5
301.25201	3.5
303.23145	10.8
329.28497	3.7
335.25821	18.9
359.25781	3.5
435.32605	12.2
453.33752	12.3
471.34772	12.3
473.33176	3.4
487.33698	4.3
509.36530	3.0
527.37341	48.2
545.38373	94.0
563.39282	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
53.59539	0.5
55.01855	1.6
55.05495	1.5
57.03437	4.2
65.03934	1.4
67.05501	7.0
69.03428	1.3
69.04967	0.5
69.07041	1.8
70.97816	1.4
71.04985	1.0
71.76624	0.6
74.92863	0.7
79.05487	6.6
81.03413	1.0
81.07055	5.6
83.04967	0.9
83.08593	1.1
85.06560	1.3
91.05463	7.5
93.07044	8.4
95.04962	5.9
95.08581	2.8
97.06507	1.0
97.10114	0.7
103.05453	0.7
105.07027	8.6
107.04926	2.6
107.08575	4.5
109.06505	1.6
109.10126	1.2
112.56109	0.5
114.90845	0.5
115.05443	1.2
116.50778	0.6
117.07017	4.1
119.04918	1.3
119.08546	3.6
121.06480	2.4
121.10139	1.7
123.04418	100.0
124.04704	0.5
128.06200	1.7
129.07036	2.8
131.08565	3.1
133.06503	2.6
133.10141	2.2
135.04420	3.8
135.08011	1.1
135.11624	0.9
137.05966	8.0
138.09502	0.5
141.07025	0.9
142.07759	1.0
143.08563	2.0
145.06483	1.6
145.10089	2.1
147.04382	5.1
147.08022	1.8
147.11649	1.2
149.05972	11.0
149.09598	2.3
151.07492	1.0
153.07047	0.6
154.07753	0.7
155.08556	1.7
157.06496	1.2
157.10114	1.2
159.08029	1.5
159.11710	1.5
161.05974	10.2
161.07262	1.0
161.09589	1.1
161.13242	1.5
163.07550	2.3
167.06992	2.0
171.07924	1.1
173.05980	11.7
173.09631	2.2
175.07510	4.5
177.09097	11.5
179.08554	0.6
181.06546	0.9
183.08156	0.8
185.05923	2.4
185.09641	1.3
185.13275	1.7
186.06775	1.4
187.07533	3.2
187.11162	1.1
189.07372	1.3
189.09090	25.6
191.10637	0.7
195.08070	0.8
197.06094	1.1
197.09605	1.0
198.06746	0.6
199.07425	2.4
201.09073	10.8
203.10838	0.8
203.14326	1.1
207.08057	0.6
209.09660	0.9
211.07529	1.4
211.11172	1.2
213.09122	2.4
214.09909	0.6
215.10670	11.1
217.12231	0.8
221.09685	0.8
221.15359	1.1
225.09068	1.7
227.10641	9.1
229.12196	1.1
231.10088	1.0
233.11713	12.8
239.10670	2.6
241.12183	1.8
245.11703	7.5
247.13214	0.5
249.04919	0.5
253.12196	0.9
257.19141	0.7
259.13263	0.6
271.09601	4.7
275.20145	1.9
279.10205	0.6
283.09833	1.5
285.11292	1.4
285.14874	0.5
293.11734	0.7
295.09589	0.7
295.16891	2.5
297.11218	1.1
307.09607	2.0
309.11169	1.3
309.18457	0.9
311.12689	7.1
323.16330	1.1
331.13315	0.7
349.14270	5.7
351.15771	1.3
367.15372	26.8
368.15683	0.6
391.18805	0.8
409.23730	1.5
423.25085	0.7
427.24905	1.7
441.26471	0.8
465.22745	1.3
477.22641	3.2
527.27954	0.8
545.29028	5.1
563.29987	99.2
564.30292	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01868	9.1
55.05510	29.2
57.03428	14.1
65.03949	3.9
67.05164	6.1
67.05502	90.4
69.03416	8.4
69.07071	27.5
69.42201	29.5
71.04975	8.4
76.23170	3.2
79.02593	3.4
79.05487	55.6
81.03414	28.1
81.07052	91.9
83.04982	11.6
83.08614	26.2
85.02875	5.8
91.05485	52.4
93.07039	67.3
95.04970	19.1
95.05460	3.4
95.08596	53.8
97.06515	11.6
97.10175	17.7
99.08114	4.1
105.07024	47.9
107.04935	4.9
107.08594	50.1
109.06547	5.1
109.10130	36.9
111.04418	6.3
111.08089	9.4
117.07024	16.6
119.08578	42.9
121.10138	31.2
123.08064	5.2
123.11691	12.2
125.09640	11.0
129.07008	14.5
130.07753	3.3
131.08551	33.1
133.10136	32.1
135.08112	3.1
135.11667	22.7
137.09535	3.0
137.13361	3.9
142.07742	3.6
143.08565	10.4
145.10103	23.6
147.08092	3.4
147.11649	19.9
148.54427	3.6
149.09605	8.0
149.13258	10.5
151.11156	4.5
154.07635	3.8
155.08646	3.8
157.10168	18.7
159.11685	20.5
161.09587	4.0
161.13321	4.2
163.11159	5.4
164.69962	3.0
165.12805	3.7
169.10172	5.2
171.11734	11.7
171.39780	3.1
173.13287	10.9
175.11208	6.7
177.12746	4.2
181.10194	3.8
181.12206	6.1
183.11725	7.2
185.13272	12.8
187.14777	4.1
191.10802	4.3
193.12280	15.6
195.11586	3.9
197.13278	7.7
199.14758	5.0
207.14018	3.3
209.13388	4.6
211.13234	28.1
227.12778	11.0
227.18140	3.4
227.28915	3.6
261.22208	17.1
267.15912	5.2
279.23395	3.4
285.16885	13.7
301.25290	4.3
303.23181	9.3
317.24896	4.9
335.25723	25.7
435.32422	6.0
453.33246	8.4
471.34460	13.7
489.35559	6.2
527.37207	31.1
545.38287	100.0
563.39178	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1752
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
50.63187	0.2
53.03955	0.2
55.01862	0.3
55.05495	0.6
57.03405	0.5
59.05030	0.2
60.01863	0.2
65.03884	0.2
67.05484	0.4
68.99772	0.2
69.03410	0.7
69.31199	2.3
70.06552	0.3
71.04993	1.7
72.08144	0.8
74.88129	0.2
81.03399	0.4
81.07038	0.4
83.04955	0.3
84.08138	1.4
85.02896	2.6
85.06524	0.6
91.05441	0.5
93.07013	0.2
95.08598	0.6
97.02876	0.5
101.05994	0.8
102.06396	0.2
105.07008	0.4
107.08562	0.4
107.72551	0.2
109.02844	0.3
109.10099	0.2
119.04913	0.4
119.08541	0.4
121.02866	0.8
121.10104	0.4
123.04436	0.3
127.03900	0.7
128.10706	0.7
129.05478	0.3
129.06963	0.3
133.10135	0.2
135.11659	0.2
137.02332	0.2
139.03857	0.3
141.07034	0.2
145.02840	0.5
145.04861	0.2
146.11766	0.3
147.04390	2.1
147.11778	0.3
153.01817	1.5
154.02150	0.7
157.06479	0.7
163.03853	0.2
165.12935	0.2
167.07025	0.3
171.02876	1.4
171.04370	0.8
172.03226	0.4
177.05528	0.3
185.05954	0.3
213.05453	1.1
222.48109	0.2
227.07010	1.0
237.05200	0.2
243.95554	0.2
255.06491	100.0
256.06882	1.3
271.06030	1.1
272.15018	0.3
273.07513	0.8
274.07886	0.7
283.05981	3.0
284.06830	0.3
285.07593	0.7
290.15991	0.7
291.16238	0.4
295.06055	0.3
297.07672	1.0
307.05609	0.3
309.07501	1.0
311.09088	0.3
313.06992	1.8
321.07611	1.1
323.08911	0.5
335.09045	0.4
337.07196	1.0
339.08435	0.8
363.08530	0.8
365.10095	1.0
381.09592	1.5
383.11234	1.9
399.10605	0.6
401.12253	1.7
417.11768	1.1
446.17963	0.2
519.29193	0.5
545.16199	0.3
563.22980	6.0
563.33612	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	563.1756
Annotation	Glycyroside
Peak:m/z	Relative Intensity
55.01871	0.1
57.03406	0.1
64.03210	0.1
67.05485	0.1
68.99762	0.1
69.03403	0.3
69.97655	0.4
70.06559	0.1
72.08124	0.2
76.80807	0.1
79.05495	0.1
81.03415	0.1
81.07033	0.2
83.04940	0.1
85.02877	0.2
90.04722	0.1
91.05472	0.2
93.07047	0.1
95.04946	0.1
95.08595	0.1
97.02881	0.3
97.06521	0.1
98.20803	0.1
101.05969	0.1
105.07011	0.2
106.91323	0.1
107.04939	1.3
107.08576	0.2
108.02061	0.1
109.02826	0.1
111.04418	0.1
117.50942	0.1
118.04146	2.1
119.08541	0.1
121.02812	0.2
121.10146	0.1
123.04430	0.2
127.03882	0.3
133.02867	0.2
133.06473	0.3
133.10155	0.1
136.01472	0.2
137.02327	0.7
137.05905	0.1
147.04410	0.3
147.11729	0.1
151.03934	0.1
151.07465	0.1
154.02586	1.0
156.05664	0.1
157.06506	0.1
163.03876	0.3
167.07033	0.2
170.07222	0.2
171.04283	0.1
181.06490	0.4
182.07213	0.3
183.07921	0.1
185.09616	0.1
195.02948	0.1
195.08020	0.2
197.05954	0.9
198.06740	0.7
199.07433	0.2
213.09082	4.6
225.05525	0.4
226.06204	2.5
237.05435	3.8
238.05956	0.1
241.08569	0.3
253.04936	3.1
254.05699	5.1
269.08041	100.0
270.08429	1.1
271.05930	0.5
297.03934	0.2
299.05374	0.1
337.06973	0.1
395.11087	0.4
401.12225	0.2
417.12161	0.1
421.12473	0.1
425.12070	0.2
431.13287	1.1
467.13535	0.2
479.13416	0.2
491.13205	0.1
545.15936	0.1
563.16956	0.4
563.32782	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	563.1756
Annotation	Talosin B
Peak:m/z	Relative Intensity
51.86953	0.4
52.96126	0.5
53.03934	1.6
55.01856	1.0
55.05495	1.6
57.03424	2.4
65.03940	0.9
67.01853	0.6
67.05487	2.2
68.99786	1.1
69.03424	8.7
69.07062	1.7
69.99428	1.8
69.99838	1.2
70.06573	2.3
71.04988	8.9
72.08132	2.3
73.02891	1.2
79.05476	1.8
81.03422	3.6
81.07057	3.4
83.04969	2.0
84.08130	1.9
85.02898	15.0
85.06524	1.5
86.06047	1.2
86.09700	0.6
87.04443	1.0
91.05463	4.6
93.07038	3.0
95.04955	2.0
95.08604	2.8
97.02876	3.0
97.06503	1.3
98.09694	0.8
99.04453	1.4
103.03944	0.8
103.05449	0.6
105.03389	1.1
105.07043	3.1
107.04966	0.7
107.08572	2.3
109.02869	5.7
109.06498	1.6
109.10143	2.6
110.07120	0.9
111.04416	1.3
112.07645	0.6
119.04935	5.7
119.08561	2.0
121.02856	5.9
121.06495	1.4
121.10111	2.3
123.04422	3.0
123.08072	1.0
123.11678	0.8
125.05939	0.9
125.09622	0.8
127.03911	16.3
129.05463	1.9
131.04909	1.1
131.08514	1.0
133.06412	0.8
133.10104	1.9
135.04430	1.6
135.08022	0.8
135.11642	0.9
137.02361	0.7
137.05988	1.6
137.09645	0.6
139.03986	0.5
139.07504	0.7
139.11160	0.7
141.01819	0.8
145.02856	1.6
145.04913	0.9
145.06532	0.6
145.10124	1.5
147.04405	6.9
147.11655	2.1
149.05905	1.1
149.09584	2.0
149.13264	1.1
151.03873	1.1
151.07574	0.9
153.01787	4.0
153.05338	0.7
157.10112	0.7
159.11678	0.9
161.05998	1.6
161.09596	0.9
163.03970	2.7
163.07590	1.3
163.11191	0.9
163.48482	0.6
165.01848	1.2
165.05499	1.0
165.09122	0.5
167.07019	4.3
169.10162	0.6
171.02905	0.8
173.13295	0.8
175.03882	1.0
175.07468	0.9
175.11250	0.6
177.05476	2.4
179.03471	1.2
183.02930	1.1
187.03864	0.7
187.07533	0.7
189.09123	0.7
191.03381	1.5
191.07005	0.8
195.02931	0.9
207.06459	0.8
207.13857	0.9
213.05620	0.7
217.04854	0.8
219.06508	1.2
221.04457	1.0
235.05984	0.8
241.04951	1.0
243.06560	0.8
245.04430	1.0
255.06552	2.0
256.07321	1.1
263.05405	0.8
267.06500	1.4
269.04236	1.1
269.08032	2.7
270.05237	1.0
271.05988	100.0
272.06372	1.3
273.07474	0.7
281.08139	2.7
283.05997	18.4
284.06796	8.9
285.07516	2.3
285.10852	1.0
286.04800	1.4
287.05344	0.7
295.05975	5.0
297.07626	4.1
301.07013	8.9
308.06964	1.0
309.03940	2.1
309.07535	8.1
309.11169	1.0
311.05258	1.8
311.08725	1.2
313.07034	33.4
315.04886	1.3
315.08484	1.2
319.09750	1.1
321.07477	2.5
323.05420	0.7
325.06958	2.9
325.10535	1.0
327.04797	1.0
327.08466	1.1
329.06381	0.8
329.21472	0.6
335.09113	3.5
337.06992	18.2
337.11008	0.9
339.04922	0.9
339.08606	1.9
341.10220	1.8
343.08121	1.4
351.08514	0.7
353.10132	1.5
363.04886	0.7
363.08640	11.9
365.10040	1.1
365.22815	0.6
381.09641	23.5
383.11090	9.5
387.23871	0.8
399.10712	11.0
401.12030	4.6
417.11765	39.8
491.29602	0.6
527.24982	0.9
545.16980	1.4
545.26184	1.6
563.17407	12.1
563.26514	3.0
563.35730	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	563.1757
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
51.47357	0.1
55.05489	0.1
57.03392	0.3
67.01865	0.7
67.05457	0.2
68.99780	0.5
69.03385	0.3
69.07038	0.1
69.44098	0.1
70.06552	0.3
70.18803	0.4
71.01311	0.1
71.04985	1.2
72.08112	0.3
73.02895	0.2
75.04446	0.2
79.05452	0.1
81.03387	0.2
81.07008	0.3
83.04919	0.4
84.08136	0.1
85.02902	2.2
91.05418	0.4
93.07004	0.2
95.04973	0.1
95.08585	0.1
95.69526	0.1
97.02852	0.4
99.04423	0.1
101.05922	0.1
103.05439	0.8
105.03343	0.4
105.06977	0.2
107.08584	0.1
109.02837	0.2
111.04391	0.2
112.07538	0.2
119.04930	0.9
119.08519	0.2
121.02817	0.3
121.10136	0.2
121.99863	0.1
127.03934	0.5
129.01817	0.2
129.03336	0.6
129.05515	0.5
140.07013	0.1
145.02832	0.3
145.04947	0.1
147.04381	0.9
147.06422	0.2
153.01813	4.9
163.03827	0.2
167.07014	0.4
171.02942	0.9
171.04277	0.2
177.05469	0.3
185.05919	0.1
187.07481	0.3
193.08470	0.2
203.07021	0.1
209.05936	0.3
213.05489	0.3
229.05025	0.1
231.06479	0.3
235.17995	0.3
243.06482	0.2
255.06497	100.0
256.06851	2.4
262.14322	0.3
271.05991	50.3
272.06326	1.2
309.07605	0.2
313.07199	0.2
325.07254	0.1
329.06659	0.2
341.10141	0.2
383.11221	1.0
383.15436	0.1
401.12167	0.6
417.11667	0.6
545.16858	0.1
545.39319	0.2
563.17139	0.2
563.34583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04653	0.4
53.03936	0.6
55.01863	0.4
55.05502	2.3
57.03421	0.7
57.07061	0.3
59.04978	0.5
65.03928	0.5
67.01862	1.1
67.05490	1.4
68.99785	0.9
69.03417	3.9
69.07063	0.4
69.81266	1.7
70.06573	0.7
71.04972	0.7
72.08132	0.6
77.65622	0.2
79.05481	0.9
81.03411	5.6
81.07047	2.0
83.04555	0.3
83.04983	2.1
83.08613	0.3
84.08109	0.6
85.02896	2.7
85.06532	0.9
85.81207	0.3
86.09715	0.3
87.00820	0.4
87.04457	0.7
91.05472	3.8
93.07049	1.1
95.04937	1.6
95.08600	1.7
97.02880	3.4
97.06519	0.7
99.04433	1.2
101.02374	0.3
101.06003	1.5
101.11318	0.3
102.99344	0.3
103.05448	0.4
105.07015	1.5
107.04943	2.3
107.08572	1.2
109.02871	3.5
109.06536	0.4
109.10139	1.0
111.04427	0.9
117.07059	0.3
119.03462	0.7
119.04932	8.2
119.08562	0.7
121.02850	1.0
121.06483	1.0
121.10109	0.7
123.04424	3.8
123.08078	0.6
123.11694	0.4
127.03903	4.2
129.05452	1.8
129.06975	0.3
131.08571	0.4
133.06526	0.5
133.10100	0.9
135.04433	0.3
135.08092	0.4
135.11711	0.4
137.06003	0.9
137.09526	0.3
145.02820	0.8
145.04930	0.6
145.06456	0.3
145.10086	0.4
147.04393	30.0
148.04691	0.5
149.02353	0.4
149.05962	0.5
149.09625	0.5
151.03894	0.8
151.07512	0.9
153.01811	59.9
154.08601	0.8
157.10172	0.3
159.11641	0.4
161.05986	0.6
161.09621	0.3
161.13211	0.4
163.03914	0.6
163.07524	0.5
163.11220	0.4
167.07024	2.6
171.02870	8.2
171.11613	0.4
173.04443	0.5
175.07474	0.4
177.05472	1.8
179.03391	1.2
179.06995	0.3
181.08624	0.5
183.02856	0.6
183.06430	0.3
189.05560	0.7
191.03366	1.0
193.04901	0.3
193.08600	0.6
195.02887	0.8
207.06531	0.6
219.02898	1.5
227.09036	0.4
231.06638	0.4
241.05037	0.7
255.06412	0.8
255.08665	1.3
269.04468	0.6
269.07993	0.4
271.06012	2.6
272.06277	1.7
273.07538	100.0
274.07962	1.2
279.04865	0.4
285.07449	0.6
286.04745	1.1
295.05972	0.6
296.06238	0.6
297.07370	0.3
301.07028	8.9
313.06934	0.4
315.08597	0.5
325.07053	0.6
326.07239	0.5
327.08597	0.4
337.06946	0.5
339.08481	1.4
360.11508	0.3
383.10809	0.5
401.12045	0.6
409.12973	0.3
518.18207	0.4
519.28638	0.6
545.16693	0.7
563.18127	1.1
563.29352	0.5
563.35852	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	563.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01864	0.8
55.05495	0.6
57.03427	1.1
65.03936	0.7
67.05489	0.6
68.99803	0.8
69.03424	2.6
69.07059	1.0
70.06574	1.0
70.62519	1.5
71.04980	1.9
72.08137	1.2
79.05482	0.9
81.03396	2.0
81.07050	1.4
84.08132	0.9
85.02900	5.2
85.06532	0.5
86.06097	0.4
86.09702	0.4
91.05465	1.7
93.07035	1.1
95.04984	0.7
95.08591	1.2
97.02894	1.4
97.06531	1.6
98.09698	0.5
101.03593	0.4
101.82349	0.4
105.03393	0.6
105.07023	1.0
107.01321	1.0
107.04947	0.7
107.08580	1.0
109.02869	1.9
109.06546	0.7
109.10162	0.6
111.00823	0.8
111.04421	0.6
119.04929	7.2
119.08563	0.7
121.02857	13.4
121.10127	0.8
123.00758	2.1
123.04401	1.8
123.08018	0.6
125.02358	0.5
127.03927	2.8
131.04903	0.5
133.10138	0.5
135.00745	1.1
135.04378	1.3
135.08046	0.6
135.11688	0.5
137.05972	1.2
141.01826	0.8
145.02838	1.6
147.04399	2.4
149.02344	0.9
149.05992	0.7
153.01805	1.1
154.02629	0.7
161.02299	1.4
161.06007	0.7
163.03894	1.9
165.01852	1.0
167.07001	2.3
173.02338	0.6
173.05928	0.5
175.03915	0.7
177.01816	0.7
177.05472	0.9
178.02631	0.7
179.03368	1.3
181.01312	0.8
183.02890	1.0
185.05969	0.5
187.03954	0.8
189.01797	1.4
191.03313	0.9
193.01294	0.7
193.04965	0.5
193.08600	0.5
195.02896	0.5
197.00803	1.2
203.03339	0.8
203.95259	0.4
205.04872	0.5
207.02917	1.1
209.00798	10.7
211.02438	1.6
217.01352	0.9
217.08516	0.4
219.02867	0.9
221.00830	3.0
223.02289	0.8
227.01819	4.4
231.02872	0.8
233.04359	0.7
235.02354	7.8
239.01796	2.7
241.05032	0.6
243.06514	0.9
249.03922	1.9
254.05663	0.7
255.06522	0.9
257.04489	0.5
267.06470	0.7
268.03592	0.5
269.04373	1.4
269.08191	0.4
271.06021	2.3
275.44641	0.5
278.05865	0.5
279.06396	0.9
282.05341	0.7
283.05994	10.5
283.09042	0.8
291.06488	0.5
293.04803	0.4
293.07986	1.0
295.05960	2.1
296.03162	1.6
297.03925	7.4
297.07532	4.3
298.04831	0.9
299.05621	2.4
300.05945	0.5
301.07007	0.7
307.06021	1.6
309.03915	100.0
310.04474	1.8
311.05487	3.0
311.09097	1.4
313.07050	3.5
321.03900	1.6
321.07578	5.8
323.05453	4.8
323.09244	1.5
325.06912	1.8
325.10446	0.4
327.04965	7.4
327.08603	1.8
329.06714	0.7
331.05997	0.5
335.05472	12.7
335.09122	0.7
337.06992	1.8
337.10574	0.6
339.04977	36.0
339.08606	3.1
340.05438	0.6
341.06573	0.5
347.05582	0.6
347.09421	0.7
349.07068	7.6
351.04932	0.9
353.06610	2.7
357.06021	6.1
361.06927	0.8
363.04941	18.8
363.08722	1.4
365.10135	3.1
367.08115	1.3
375.04865	2.6
377.06546	1.4
381.05569	2.3
381.10007	2.1
383.11234	8.8
393.06018	18.9
395.07278	0.5
395.11380	5.9
399.10742	1.1
401.12265	4.9
405.06015	13.4
411.07104	1.1
413.12360	1.3
417.11746	3.2
421.12775	1.0
423.07062	22.0
425.12207	4.1
435.14050	0.8
441.08139	27.8
442.08722	0.6
443.13770	1.1
449.12302	1.8
459.09164	28.1
467.13361	2.4
473.12241	0.7
477.10367	0.6
479.13428	2.5
489.14139	0.9
491.13083	1.2
497.14713	0.8
501.14157	0.8
509.14584	2.5
527.15387	3.0
545.16278	6.8
563.17004	3.7
563.25226	0.9
563.33759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39799	0.6
55.01861	1.3
55.05507	0.7
57.03419	1.3
65.03910	0.8
67.05487	1.4
68.99767	1.0
69.03426	6.5
69.07038	0.7
70.06576	0.9
71.04987	5.7
72.08145	2.2
79.05508	0.9
81.03394	2.2
81.07047	1.7
83.04948	1.1
84.08128	1.8
85.02899	12.6
85.06544	0.7
86.09709	0.7
91.05467	2.3
93.07034	1.2
95.04944	1.4
95.08586	1.9
97.02871	2.4
98.09650	1.1
99.04419	0.8
104.76299	0.6
105.07004	1.3
107.01291	2.2
107.04919	2.9
107.08576	1.1
109.02859	3.5
109.10126	1.0
111.04413	1.8
119.04925	8.8
121.02853	16.0
121.10107	1.2
123.00819	1.9
123.04398	1.9
127.03893	2.8
129.05481	1.6
131.04906	0.8
133.02808	1.6
133.06494	0.8
133.10242	0.6
135.00728	0.9
135.04413	6.0
135.11655	0.7
137.02322	0.7
137.05936	1.1
139.03963	0.6
141.01791	0.7
145.02820	1.6
145.04901	0.9
147.04395	8.0
149.02335	1.2
149.05959	0.7
149.09663	0.8
151.03848	1.1
153.01833	3.2
153.05542	1.3
154.02055	0.6
157.06471	0.6
161.02313	1.4
163.03876	2.5
165.01801	4.5
167.07024	1.9
171.02872	1.4
173.02332	1.8
175.03928	1.4
177.01819	2.6
177.05449	0.9
178.15373	0.7
179.03323	3.2
183.02867	3.9
189.01823	2.9
189.05499	1.4
190.99770	1.0
191.03386	4.4
193.01233	1.7
195.02881	3.8
197.06059	1.0
201.05363	0.8
203.03380	2.8
205.04860	0.9
207.02902	4.0
209.00810	14.0
209.04425	0.7
211.02336	1.5
215.03409	1.1
217.01355	2.1
217.04967	1.1
219.02866	11.0
221.00826	5.6
221.04376	1.2
223.02293	1.0
227.01807	5.5
229.04961	1.0
231.02913	5.7
233.04401	2.0
235.02339	12.3
239.01807	6.2
243.02798	1.8
243.06551	1.0
245.04376	4.7
247.02386	1.0
249.03874	6.3
249.30931	0.6
255.06485	3.3
257.04443	1.9
259.02338	1.4
261.03854	5.4
263.05392	3.8
265.04898	0.7
269.00903	0.7
269.04382	1.3
271.06036	1.0
273.04019	1.3
273.07544	1.7
275.01950	0.7
277.26501	0.6
279.06573	0.7
282.05292	0.9
283.05969	4.8
285.03854	1.9
285.07513	3.5
287.01929	3.0
287.05200	0.9
293.04355	2.1
295.06006	1.9
296.03168	0.8
297.03888	4.0
297.07526	11.4
301.07040	1.1
303.04916	0.7
307.05972	2.6
309.03894	100.0
310.04395	1.5
311.05438	4.8
311.08670	1.1
313.07031	2.8
315.08521	3.3
321.04083	2.9
321.07486	2.6
323.05496	2.3
325.06989	1.2
327.04965	29.0
327.08469	2.6
329.06503	2.7
331.05911	1.7
335.05463	28.0
335.08817	0.6
337.06970	1.1
339.04938	58.5
339.08572	6.7
341.06729	0.6
349.03003	1.2
349.07016	15.6
351.04712	1.0
351.08423	2.1
353.06567	4.6
357.05988	2.0
359.05246	1.7
361.07370	1.0
363.04916	38.3
365.10281	3.7
366.57501	0.7
367.07950	2.7
375.04962	14.1
377.06351	2.9
381.05847	1.8
381.09912	1.7
383.11218	7.2
387.04959	4.2
393.05960	29.1
395.11087	1.2
399.10617	1.8
401.12384	7.1
405.06006	26.2
407.09860	2.7
413.08459	11.6
417.12021	5.5
423.06970	15.3
425.11557	1.4
429.11646	1.1
441.08102	10.0
443.09573	6.2
449.12653	0.9
459.09045	2.3
467.09650	12.9
497.10712	8.1
509.10828	2.2
527.11438	6.0
545.17108	3.8
563.22937	2.3
563.32526	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	563.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30252	0.1
53.03943	0.1
55.01869	0.2
64.21953	0.1
67.05491	0.3
68.99792	0.2
69.03422	0.6
69.07068	0.2
71.02601	0.3
71.04972	0.1
79.05469	0.2
81.03394	0.3
81.07050	0.3
82.07987	0.1
84.08122	0.6
85.02905	0.7
85.13078	0.1
87.00803	0.1
91.05477	0.4
93.07040	0.3
95.04970	0.2
95.08602	0.4
97.02881	0.4
99.04484	0.1
105.01851	0.1
105.07011	0.4
107.08598	0.3
108.05727	0.1
109.02874	0.7
109.06542	0.1
109.10145	0.2
114.92943	0.1
117.73154	0.1
119.04967	0.3
119.08571	0.2
120.36176	0.1
121.06511	0.4
121.10121	0.2
123.04411	0.6
123.11700	0.1
127.03935	0.6
131.04933	0.3
132.05693	0.1
133.06497	0.5
133.10127	0.3
134.07251	0.3
135.04449	0.2
137.05968	0.2
145.04913	0.2
145.06506	0.2
147.04390	0.3
153.01874	0.2
159.02879	0.3
161.05954	0.8
163.07538	0.1
167.07091	0.3
168.00513	0.2
169.01332	0.2
170.07245	0.2
171.04446	0.3
171.08015	0.2
173.05991	0.2
173.09532	0.1
174.06749	0.4
175.07571	0.2
177.05418	0.2
179.03273	0.1
183.02966	0.2
185.00851	0.2
185.05966	0.2
186.01500	0.2
187.03741	0.2
189.05481	0.2
198.06770	0.3
199.07503	0.3
201.05479	0.4
203.06966	0.1
213.05464	0.5
219.06525	0.1
226.06253	0.4
227.07018	0.5
229.04892	0.8
230.05679	0.2
239.03421	0.3
240.04163	0.2
241.04941	2.0
243.06523	0.3
244.07346	0.2
247.05936	0.3
248.06856	0.7
253.04994	0.2
254.05783	0.5
255.06519	1.0
257.04465	0.7
259.09692	0.2
261.11383	0.1
267.02856	0.2
268.03708	0.3
269.04446	4.7
271.06015	0.6
272.06735	0.7
282.05249	0.2
283.06012	0.2
284.06741	0.3
285.04001	0.7
299.05502	1.0
300.06265	41.6
301.06726	0.4
309.07504	0.1
315.08597	100.0
316.08966	0.9
331.07849	0.1
345.46356	0.1
365.13919	0.3
383.14618	0.4
401.11502	0.2
401.15903	0.5
545.17828	0.2
563.12708	0.5
563.35474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46131	0.3
53.03927	0.8
55.01853	0.4
55.05503	5.3
57.03426	0.9
57.07064	0.3
58.06593	2.0
59.04977	1.0
67.01859	3.2
67.05487	0.8
68.99783	1.1
69.03426	2.8
69.34130	3.7
69.34517	0.8
70.06573	1.0
71.04968	1.4
72.08137	1.2
73.02907	1.6
79.05476	0.7
81.03401	2.6
81.07047	0.7
83.01353	0.4
83.04967	4.6
84.04539	0.4
84.08134	29.2
85.02891	6.1
85.06519	1.2
86.06057	0.5
86.09681	0.5
87.04460	0.8
91.05458	1.3
93.07035	0.9
95.04972	1.0
95.08605	1.2
97.02883	3.0
97.06526	0.4
98.09672	0.9
99.04446	1.2
100.11232	1.8
101.06007	15.0
101.06679	0.7
105.07014	0.9
106.06560	0.3
107.04950	1.6
107.08579	0.9
109.02879	1.5
109.06545	0.5
109.10189	0.5
111.00768	0.4
111.04414	1.3
114.09203	0.5
119.04912	2.9
119.08557	0.9
121.02888	0.9
121.06495	2.8
121.10122	0.4
123.04419	1.2
124.03827	0.3
124.60999	0.3
127.03905	2.9
128.10703	16.1
129.01808	0.7
129.05479	0.6
133.10118	0.7
137.05963	1.0
139.03865	0.4
145.04913	0.6
146.11739	9.8
147.04393	12.4
147.11705	0.6
151.03899	1.0
153.01808	43.0
161.05959	0.4
166.08522	0.3
167.07002	0.6
171.02867	39.8
177.05479	0.7
179.03430	2.9
181.08586	0.6
188.12773	0.8
189.05508	0.3
191.14267	0.6
195.02914	0.5
207.06503	0.3
209.15259	0.4
211.17134	0.3
230.13898	1.0
231.06448	0.5
231.10117	0.5
248.15063	0.7
254.13884	1.3
255.06520	2.9
261.03897	0.5
264.01318	0.4
271.06003	1.3
272.06366	1.2
272.14899	3.9
273.07547	25.6
283.05954	0.8
290.15933	19.4
295.05984	0.4
296.06299	0.3
400.17673	0.5
401.12265	0.8
442.17020	0.5
544.21844	0.7
544.34814	0.8
561.32428	0.7
562.22791	100.0
563.22986	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	562.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01865	3.1
55.05505	12.0
57.03431	14.1
59.33090	0.8
67.05498	18.5
68.79905	0.8
69.03416	3.5
69.07060	6.7
70.61233	2.2
70.61630	1.9
71.01353	0.9
71.04985	3.5
77.27938	0.9
79.05492	22.7
81.03413	86.5
81.07053	21.3
83.04977	9.1
83.08614	20.2
85.02898	10.6
85.06550	2.4
91.05476	25.4
93.07037	15.1
95.04960	26.3
95.05552	1.7
95.08601	7.9
97.02885	3.7
97.06518	2.9
97.10172	4.8
99.08082	1.3
105.07026	20.2
107.04964	7.9
107.08598	9.5
109.06528	5.3
109.10139	4.5
111.04466	1.5
111.08067	7.2
113.05956	1.4
115.05493	1.2
115.69871	0.8
117.07044	2.9
119.04922	1.5
119.08578	15.5
121.06527	4.3
121.07250	0.9
121.10133	9.1
123.04412	1.7
123.08047	4.2
123.11716	1.9
125.09629	3.5
127.03921	1.6
128.06223	1.0
129.06989	10.6
131.08575	13.2
133.06479	4.4
133.10112	9.1
135.11752	1.5
137.05962	1.8
137.09644	2.5
142.07771	2.4
143.08517	1.1
145.06476	3.0
145.10129	2.9
147.04349	1.1
147.08047	3.9
147.11687	12.5
149.06020	1.0
149.09621	5.9
157.10126	12.8
159.11681	1.1
161.05981	1.1
163.07555	1.3
163.11194	1.9
165.12775	2.2
167.06960	1.2
169.10173	1.2
173.09589	1.3
175.11165	15.8
175.12540	1.6
182.07739	0.9
189.09151	1.9
189.11234	1.4
189.12807	1.7
193.12228	33.7
195.11722	1.5
203.46635	0.9
205.12366	1.1
211.13295	20.5
211.15247	1.3
229.14189	1.2
242.59470	0.8
249.14822	2.9
255.13857	1.3
256.10504	1.0
263.67670	0.8
267.15900	100.0
273.14847	3.6
285.16913	21.5
291.19492	4.3
326.07544	1.3
341.21133	1.0
349.21738	2.4
365.17496	1.2
365.23105	5.6
367.22653	9.9
383.18445	1.3
385.23682	12.8
403.24622	3.2
405.24252	1.9
433.25906	10.5
441.26157	4.0
459.27356	56.0
477.28470	46.7
477.35529	1.5
479.15149	0.9
553.83069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01882	2.5
55.05510	4.9
56.05039	2.2
57.03439	2.7
58.06581	2.0
61.02914	1.9
67.05484	1.5
68.05012	1.5
68.79937	1.1
69.03426	5.5
69.07071	1.4
70.06586	15.6
71.04983	3.9
71.62579	2.0
72.08152	17.4
73.02917	2.5
75.24796	1.3
79.05498	1.7
81.03416	6.9
81.07047	1.6
82.06586	1.9
83.04969	2.3
84.04501	2.4
84.07708	1.6
84.08130	9.2
85.02900	13.0
86.06065	18.3
86.09705	4.4
87.04471	2.5
91.05475	4.7
91.41875	1.2
93.07056	2.9
94.06570	4.8
95.04986	1.8
95.08610	2.5
97.02892	9.0
98.06061	2.9
98.09692	3.3
99.04430	1.8
100.07598	2.2
101.06059	1.6
103.03947	1.9
105.07014	2.4
107.04947	3.8
107.08531	2.1
109.02882	3.8
109.10104	1.4
110.02396	3.0
110.06042	2.2
110.07162	2.5
111.04440	1.6
112.07612	8.2
114.09164	1.1
114.10294	2.7
115.08761	1.2
119.04927	8.5
119.82653	1.1
120.08169	1.8
121.02865	30.4
121.03718	2.5
121.06571	1.4
121.10128	1.9
122.06030	1.3
123.08080	1.7
124.07607	1.8
127.03922	13.6
128.04243	1.4
128.07082	2.2
128.10736	2.5
129.10205	1.7
130.17085	1.1
133.06506	1.6
135.04370	2.9
137.02345	4.1
137.05949	2.7
138.05463	1.3
140.07060	1.4
145.02832	2.4
145.04961	1.6
145.06474	1.5
146.11757	2.2
147.04398	28.6
147.05489	1.8
147.11642	1.3
148.04749	1.9
149.05989	2.6
151.69997	1.4
152.07101	3.1
153.01830	1.6
154.08640	1.5
159.04489	1.2
159.11751	1.2
161.05977	3.4
163.03932	3.1
166.05003	2.1
167.07043	3.4
169.09689	1.8
175.03928	2.3
177.05453	6.9
178.08632	5.8
187.03856	2.0
189.05371	1.8
191.03380	1.7
193.05028	1.3
193.08565	1.3
195.02911	5.6
199.07605	1.3
200.09213	2.0
203.03358	9.5
207.02917	3.2
207.06569	1.4
208.43570	1.2
213.05580	1.8
215.03334	3.4
215.06955	2.5
217.04887	8.6
218.11829	3.4
219.06395	2.0
221.04498	5.6
227.03410	2.5
229.04944	2.9
235.06100	3.5
235.14174	1.3
243.06602	1.7
245.04544	1.7
253.04964	1.8
255.02853	3.5
255.06607	2.1
267.06555	1.4
269.04523	2.5
273.03922	3.7
277.08447	2.8
279.06384	3.4
283.06000	8.3
285.07712	2.7
290.16187	1.4
294.05115	2.4
295.05984	56.6
295.09351	2.8
296.06689	1.7
297.04254	1.2
297.07523	6.0
299.05469	1.5
305.08139	4.2
307.06018	13.3
308.06793	5.3
309.07544	21.1
311.05643	7.8
311.08939	2.3
313.07153	1.9
317.08167	3.6
319.09860	1.3
320.06677	4.0
321.07578	35.7
322.08447	1.8
323.05386	5.7
323.09045	2.9
325.07098	12.5
333.07452	12.8
333.10913	1.4
335.05188	1.7
335.09116	29.9
337.07065	5.9
337.10611	1.3
338.07727	1.7
339.08563	2.8
341.06638	4.8
345.07498	3.5
346.08667	1.9
347.09189	12.3
349.07040	25.4
349.10577	1.7
351.08643	10.7
353.06543	1.7
359.08936	1.8
361.06870	9.7
361.10840	8.7
363.08630	42.8
365.06470	3.8
365.10306	4.5
367.08151	3.2
371.09082	2.0
373.06873	8.3
373.11002	2.2
375.08563	19.7
375.12659	2.1
376.11935	3.4
377.06223	2.0
377.10355	2.5
379.08310	6.2
382.12906	2.5
387.08524	5.5
389.10376	9.0
391.08087	17.6
393.09677	10.8
394.12891	17.1
395.07523	7.7
399.08426	4.9
401.10181	2.0
403.11783	8.0
405.09634	5.2
406.12796	4.0
407.07535	2.0
408.17563	1.8
409.09232	4.5
413.08926	3.4
417.09677	20.1
419.07489	2.5
423.10611	2.4
424.13791	9.4
425.08737	3.2
427.09976	3.5
429.09940	6.8
435.10684	3.5
437.09079	1.7
441.10553	5.3
442.14584	3.6
443.09406	1.8
447.10776	2.3
448.07947	2.6
448.13849	30.0
449.08499	1.6
453.11682	2.8
459.10602	7.2
460.13712	3.0
466.15030	3.4
467.09619	4.1
472.13870	10.4
473.10510	3.8
477.12088	2.1
478.14905	26.9
485.10635	1.5
490.15082	21.1
495.12820	3.6
497.10489	3.5
508.16016	42.8
509.10605	2.0
515.11945	2.2
526.17084	100.0
527.11475	4.1
544.17749	11.9
545.12708	3.0
562.20197	10.2
562.33777	5.9
563.13440	2.7
579.29517	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	562.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
55.05491	1.0
57.03419	2.1
58.06595	1.6
67.05508	1.3
69.03407	3.2
69.39593	5.3
69.40026	4.9
70.06579	10.0
71.04988	1.6
72.08145	2.4
73.02893	1.6
79.05497	1.2
81.03413	2.5
82.06606	1.8
84.08138	19.5
85.02897	6.7
86.06064	20.9
86.09713	1.2
87.04423	1.3
91.05479	1.2
93.07021	1.0
94.06532	4.5
97.02869	2.3
98.09679	1.7
99.04471	2.0
100.07578	2.1
102.92609	1.0
103.03943	1.1
105.06990	1.3
107.04920	1.5
109.02868	2.6
111.04407	1.3
112.07580	6.6
119.04959	4.9
121.02862	18.7
123.04411	7.2
127.03885	4.2
128.07066	1.8
130.08618	4.2
131.07240	1.1
133.10030	1.5
135.04413	1.1
145.02797	2.2
145.04736	1.1
146.11801	1.0
147.04378	3.0
147.17876	1.0
151.03844	1.4
152.72693	1.0
153.01842	1.4
157.76495	1.0
161.05937	1.5
162.05447	1.1
163.03902	1.8
173.05896	1.2
178.08585	3.1
179.03368	2.8
181.10201	1.1
187.03903	1.2
189.05412	1.7
191.03381	4.2
195.02838	3.5
199.03876	1.9
201.05464	2.0
203.03381	7.7
203.06917	1.3
205.04918	1.3
207.02829	3.2
207.06534	2.1
209.04494	1.3
215.03401	1.2
217.04889	7.1
221.04404	3.8
227.03355	1.3
229.04970	2.6
233.04456	1.3
235.05928	2.1
241.04752	1.3
243.06454	2.5
245.04475	2.1
251.06821	1.4
253.04836	1.3
255.02963	1.9
255.06027	1.0
256.11700	1.5
257.04327	1.8
268.07327	1.2
271.05963	5.5
274.12796	4.6
279.06335	1.6
281.08035	1.8
283.05927	7.5
285.07419	3.0
287.05478	1.3
293.07919	2.1
294.05112	1.9
295.05997	56.0
296.06406	1.4
297.07504	4.6
305.08041	1.5
307.05957	14.4
307.09378	1.6
308.06757	3.6
309.07532	20.1
311.05554	2.0
313.06967	2.2
317.07867	3.1
319.09576	2.1
320.06686	2.3
321.07581	37.4
322.08185	4.4
323.05319	3.0
323.09116	5.2
325.07031	13.2
333.07553	8.8
334.08362	1.5
335.05188	1.5
335.09070	26.3
337.06870	3.0
339.08679	5.1
345.07446	4.5
347.05389	2.0
347.09140	11.8
349.07086	14.3
349.10806	2.6
350.07089	1.3
351.08624	12.9
357.07428	1.4
359.09222	1.6
361.06876	7.0
361.10852	6.3
363.04202	2.0
363.08591	35.8
365.06030	1.8
365.10025	8.0
371.09064	1.8
373.06927	4.2
375.08542	22.2
375.12402	1.5
376.11826	1.9
377.10474	2.2
379.08017	2.6
385.10828	2.0
387.08435	2.8
389.10101	8.2
391.08041	10.0
393.09634	11.3
394.12964	7.7
399.08514	3.8
401.10080	3.3
403.12076	5.8
405.09753	7.1
406.12540	4.5
409.09067	6.9
413.10086	3.4
417.09634	20.7
423.10669	4.4
424.13882	12.2
427.10364	7.1
429.09656	6.1
431.10974	4.3
435.10870	5.7
441.11493	6.7
442.14816	2.4
447.10486	3.1
448.13824	18.0
453.11636	5.5
459.10565	5.1
460.13776	1.4
472.14072	5.5
477.12030	5.5
478.15036	11.6
490.14938	13.8
495.12872	14.5
497.10468	1.2
508.16003	31.0
513.14215	1.6
526.17053	100.0
527.17365	1.9
544.18066	54.0
562.19019	51.1
562.33337	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	561.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03940	3.6
55.05512	18.1
55.27557	1.2
57.03433	2.6
57.07077	1.8
65.03950	3.6
65.99802	1.5
67.05503	71.4
69.03419	2.5
69.07066	11.5
69.97925	4.0
69.98335	2.6
71.04991	41.1
77.03916	1.3
79.05492	45.8
79.05962	2.3
79.44793	1.5
81.03413	3.2
81.07056	77.9
83.04984	12.2
83.08616	6.8
85.06557	3.1
91.04896	1.9
91.05477	48.6
93.07042	55.6
93.07623	2.7
95.04962	8.8
95.08598	29.4
95.09153	2.2
97.06544	6.2
97.10168	2.7
98.20791	1.6
99.08096	1.3
105.07024	28.2
105.07661	1.9
107.08591	30.1
107.09284	1.8
107.95060	1.4
109.06465	3.1
109.10152	12.7
111.08100	2.8
117.07005	7.1
119.08563	10.8
120.97842	1.4
121.10131	15.3
123.08039	1.3
123.11716	16.0
125.09644	2.2
131.08577	11.0
133.10115	23.4
133.11055	1.5
135.08099	2.3
135.11702	14.2
138.06728	1.2
143.08607	2.1
145.10149	4.9
147.11671	6.2
149.13240	9.8
151.11174	10.1
157.10124	1.7
159.11690	11.9
161.13223	2.5
163.11240	1.6
165.12766	1.6
173.13306	3.1
175.14905	1.8
177.12825	3.1
183.13770	14.2
187.13304	2.0
187.14854	2.1
195.13776	4.1
213.14899	1.2
227.12827	1.4
227.16405	1.8
232.69719	1.3
235.76611	1.2
242.34818	1.3
261.22266	3.4
269.17465	2.5
283.18958	1.6
285.17007	4.2
303.73843	1.4
307.81772	1.3
335.25858	1.8
361.27484	2.2
363.25378	4.1
437.34653	1.4
517.38879	25.0
517.45856	2.2
529.38770	14.5
543.36829	2.2
544.53064	1.3
561.41473	100.0
562.42133	2.4
586.23376	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	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
55.01867	2.8
55.05504	27.1
57.03431	6.3
57.07065	4.2
59.05025	2.0
59.99423	2.1
60.21215	1.9
65.03928	3.4
66.04707	2.2
67.05502	92.9
69.03436	3.0
69.07062	23.5
71.04991	41.3
71.62078	3.5
79.05490	60.3
81.03416	3.6
81.07055	98.9
83.04980	8.9
83.08627	14.9
85.06538	6.8
85.66560	1.9
91.04895	2.7
91.05473	58.2
93.07045	67.4
95.04987	13.9
95.08601	47.3
97.06529	7.7
97.10195	5.8
99.08102	2.8
105.04473	2.1
105.07021	43.3
105.07667	3.0
107.05002	2.0
107.08584	37.4
109.06531	5.7
109.10155	18.6
111.08092	3.3
117.07003	13.2
119.08571	23.7
121.10148	22.1
123.08049	2.5
123.11723	14.8
125.09642	2.9
129.07050	5.6
131.08553	22.3
133.10132	34.5
135.08116	3.0
135.11693	20.5
139.11157	2.7
143.08537	4.7
145.10144	15.5
147.11731	7.5
149.13255	10.3
151.11168	10.6
157.10170	5.3
159.11681	17.5
161.13301	8.1
163.11131	3.3
168.85838	2.8
169.10136	2.9
171.11765	6.0
173.13316	6.5
175.14886	3.4
179.14404	3.1
183.11880	3.1
183.13860	14.7
185.13303	3.7
186.02359	2.1
187.14835	3.2
195.13835	4.9
199.14995	2.3
227.12869	6.0
253.18034	5.3
259.20758	3.2
261.22205	4.7
285.16879	2.9
335.26010	7.5
437.34134	3.6
511.37949	4.2
514.12787	2.3
517.38794	21.0
529.38788	52.7
541.14832	2.3
543.36627	4.9
561.41443	100.0
562.42084	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	561.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21753	1.3
53.03939	5.3
55.05506	14.9
57.07077	2.6
61.02935	1.6
65.03951	2.0
67.05503	60.7
69.07066	13.4
71.04993	43.1
71.05296	0.9
71.63533	2.0
79.05487	38.3
81.07056	69.0
83.04967	8.0
83.08618	9.2
85.06559	4.5
85.26614	1.3
91.05478	41.7
93.07039	48.6
95.04973	7.3
95.08606	28.9
95.09164	2.5
97.06530	5.9
97.10179	3.1
99.08071	2.1
105.07029	21.8
107.08591	25.2
109.06539	4.0
109.10157	13.6
111.08081	3.9
115.05367	1.8
117.06993	7.8
119.08562	12.1
121.10132	21.0
123.11666	16.4
129.07059	2.0
131.08557	12.4
133.10133	25.2
135.11716	13.6
143.08601	1.4
145.10149	6.6
147.11710	5.4
149.13280	9.9
151.11163	11.1
159.11673	12.1
161.13297	3.0
168.93845	1.3
173.13260	2.0
177.12827	4.3
183.13797	16.7
187.13370	3.4
195.13872	5.8
205.61148	1.5
227.16646	1.7
261.22211	4.4
269.17639	3.5
283.18994	1.8
285.16992	5.0
335.25885	2.0
361.27332	2.1
363.25314	3.5
517.38940	29.9
529.38953	14.2
561.25269	7.3
561.41553	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	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01862	6.9
55.05510	20.1
57.03419	12.2
57.07077	3.1
62.10388	2.6
65.03919	3.2
67.05497	61.0
69.07061	18.2
70.20391	7.6
70.20778	6.3
79.05485	51.6
81.03415	4.9
81.07051	74.0
83.04978	4.2
83.08613	16.8
91.05460	26.8
93.06467	4.9
93.07033	74.7
95.04946	10.3
95.08593	71.6
97.02848	4.4
97.06507	3.6
97.10162	5.5
99.04425	5.9
105.07027	20.2
107.04928	8.6
107.08576	52.1
109.06527	3.9
109.10116	21.1
111.07986	2.7
117.06985	18.3
119.08565	23.7
121.06462	9.3
121.10123	25.6
122.17770	2.8
123.11678	5.8
125.09607	4.2
131.08536	9.2
133.10106	11.0
135.11674	53.8
145.10126	33.4
147.11620	7.7
149.13216	3.3
159.11696	6.8
161.13240	4.0
163.11169	42.1
163.14813	4.2
173.13252	4.6
181.12180	10.9
187.14723	4.5
227.12756	100.0
232.74973	3.2
243.20992	6.3
259.20578	3.7
261.22055	23.1
269.75531	3.1
283.15356	48.3
290.12042	3.2
298.64636	3.4
317.24591	11.0
335.25763	64.5
335.29480	2.3
469.33572	3.7
543.36670	48.2
561.39020	24.4
582.54938	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01863	4.5
55.05503	26.0
57.03434	10.9
57.07065	3.2
63.93535	1.8
65.03942	4.6
65.98203	1.5
67.05499	80.8
69.03433	2.5
69.07066	21.1
71.04984	12.4
71.50610	1.5
73.02957	1.8
73.74264	1.5
74.21127	1.4
79.05488	56.9
81.03403	5.3
81.07047	74.5
81.32318	1.6
83.04948	8.6
83.08620	16.4
85.06558	2.7
91.04958	3.1
91.05478	37.0
93.07037	79.1
95.04961	13.6
95.08601	71.6
97.02888	2.7
97.06520	6.9
97.10158	7.0
99.04430	5.0
105.07019	30.3
107.04961	9.7
107.08587	60.5
107.61108	1.6
109.06516	4.6
109.10139	24.8
111.08063	3.2
117.06997	16.1
119.08571	27.7
121.06500	7.6
121.10136	37.8
123.11718	9.3
125.05998	3.9
125.09601	2.7
129.07022	2.5
131.08556	12.3
133.10126	19.7
135.08038	5.3
135.11685	60.2
139.07527	2.1
143.08522	3.5
145.10115	36.9
147.11690	8.9
149.13274	7.7
151.11188	3.2
159.11674	8.7
161.13245	5.6
163.11165	55.9
163.14828	3.6
173.09619	2.4
173.13245	8.4
175.14781	2.2
181.12222	9.8
183.13741	2.0
185.13284	1.8
186.15825	1.9
187.14799	2.9
209.11685	3.6
213.16463	1.9
227.12770	96.3
243.21072	6.6
253.14371	3.7
261.22116	28.4
283.15390	46.0
291.19733	2.1
293.21005	2.2
295.97183	1.7
317.24701	10.8
335.25769	100.0
336.26083	2.1
517.38312	2.1
525.35870	2.1
529.38721	4.6
543.36743	63.9
544.37042	3.7
561.39398	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01873	6.8
55.05503	30.8
57.03437	9.0
57.07067	2.1
65.03931	2.4
67.05495	55.5
68.45151	1.2
69.03416	3.3
69.07056	14.2
69.39588	11.9
71.04978	4.9
79.05000	1.3
79.05482	41.4
81.03407	8.8
81.07047	50.2
83.04967	11.8
83.08605	16.8
85.02882	3.3
85.06541	2.7
91.05467	32.7
93.07027	39.6
95.04954	11.1
95.08591	31.8
95.09158	2.5
97.02886	1.4
97.06534	5.7
97.10149	20.9
98.20620	1.6
99.04438	1.8
99.08076	2.7
103.05470	1.6
105.07014	25.8
105.07662	2.2
107.04929	6.0
107.08580	32.5
107.18832	1.2
109.06488	3.2
109.10145	22.6
111.04411	5.9
111.08075	5.4
114.11481	1.5
115.05389	2.4
117.06998	16.5
119.08559	27.3
121.06507	3.0
121.10130	17.8
122.95266	1.2
123.08096	3.4
123.11669	6.0
125.09616	16.0
128.06204	2.0
129.06981	9.5
131.08554	25.4
133.06447	1.7
133.10120	18.4
135.08057	5.9
135.11681	17.0
137.09644	1.7
137.13190	1.4
141.07008	3.9
142.07806	2.2
143.08537	7.9
143.09567	1.0
144.09390	1.5
145.06487	3.6
145.10098	24.8
145.11128	2.0
147.08012	3.6
147.11652	10.5
149.09627	4.6
149.13249	4.8
151.11197	2.1
153.09062	2.1
153.12744	5.4
155.08559	4.0
157.10088	9.7
159.08112	1.4
159.11664	14.3
160.11954	1.2
161.09572	1.2
161.13222	7.0
163.11128	14.9
163.14804	1.7
167.08640	2.1
169.10152	5.5
171.10316	2.2
171.11711	6.9
173.09628	3.6
173.11873	2.1
173.13208	8.3
175.11124	3.4
175.14793	2.2
177.12767	2.0
181.10126	2.5
181.12219	4.2
183.11684	5.7
185.13307	7.1
187.11214	1.4
187.14807	5.5
189.11226	10.2
189.12746	2.5
191.10646	3.6
191.14178	1.6
193.10440	1.9
193.12309	3.8
195.11697	3.0
197.13228	2.9
199.14848	4.0
201.16498	2.3
205.15945	1.3
209.11729	3.5
211.13167	2.8
211.14919	1.7
213.16249	2.0
214.18869	1.1
225.16269	1.3
227.12717	35.0
229.14258	1.3
231.17627	1.8
241.19482	2.3
243.21190	2.2
245.13806	2.1
259.20624	4.1
261.19479	1.3
261.22015	8.0
267.15836	2.0
273.22043	2.2
275.20047	2.0
277.21664	2.0
279.23175	2.0
281.22543	1.4
283.15308	15.5
283.20480	2.5
285.16885	2.1
299.20349	1.9
299.23627	10.1
301.21640	4.1
315.23230	2.3
317.24640	7.0
333.24252	2.9
334.38205	1.3
335.25800	10.6
339.22852	1.3
357.24387	2.1
373.27350	1.4
414.51651	1.3
431.37170	1.3
433.30783	8.3
441.33411	2.0
451.32059	10.1
469.33118	11.1
487.34445	9.4
515.37158	4.1
525.35675	21.6
543.36755	100.0
544.36926	3.7
561.25867	2.7
561.37787	52.0
562.38263	2.0
578.62048	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.56785	1.0
55.01875	6.7
55.05506	32.7
57.03438	6.2
57.07061	2.3
59.04999	2.5
59.10149	1.0
62.01779	0.9
65.03922	2.3
67.05499	51.2
69.03407	4.3
69.07065	14.3
69.94894	5.8
71.04980	3.8
77.06446	1.2
78.13581	0.9
79.05489	39.6
81.03412	9.1
81.07050	51.6
83.04971	11.8
83.08609	20.5
85.02895	2.4
85.06527	3.1
85.49363	1.0
91.05473	31.2
93.07037	37.6
95.04967	9.8
95.08601	31.2
97.06535	5.5
97.10162	23.6
99.08090	1.3
103.05470	1.2
103.79243	1.0
105.07025	30.7
107.04955	4.6
107.08588	30.4
109.06525	5.4
109.10143	18.3
111.04432	7.4
111.08080	5.9
115.05445	1.2
117.06999	16.2
119.08573	25.8
121.06493	3.0
121.10133	17.1
123.08051	3.4
123.11694	6.9
125.09620	20.5
128.06155	1.7
129.05446	1.1
129.06992	8.1
130.07732	1.1
131.08568	24.2
133.10114	18.3
135.08037	5.1
135.11673	14.1
137.09584	1.8
137.13251	2.2
141.07004	2.1
142.07774	2.1
143.08522	10.8
145.06493	3.5
145.10107	20.7
147.08038	3.6
147.11687	12.1
149.09601	2.7
149.13269	7.6
151.38272	1.1
153.09149	2.3
153.12761	7.0
155.08560	4.2
157.10086	8.5
159.08081	2.4
159.11670	14.7
161.09544	1.4
161.13258	7.7
163.11188	11.6
163.14847	2.3
167.08562	1.9
169.10098	7.0
171.08051	1.1
171.10321	1.6
171.11690	6.6
173.09592	3.2
173.11887	2.0
173.13246	11.3
175.11192	2.8
175.14784	3.8
181.10114	1.9
181.12198	5.6
183.11687	4.8
185.09651	1.5
185.13187	7.1
187.11118	2.3
187.14738	6.2
189.11203	14.2
189.12692	2.3
191.10667	4.7
191.14375	1.2
193.12262	2.8
195.11670	3.3
197.13260	3.0
199.14818	5.5
201.16399	2.4
209.11682	2.9
209.13354	1.8
211.13182	2.6
213.16400	2.2
215.17758	2.0
219.17589	1.2
221.13127	1.3
223.14900	1.2
227.12758	29.6
227.14876	1.7
235.14566	1.1
239.17950	1.7
241.19398	1.4
243.21127	1.5
245.13773	3.3
259.20605	4.8
261.18585	1.2
261.22153	8.5
267.15829	2.2
273.22128	1.5
275.20187	1.5
277.21564	3.2
279.23309	2.3
281.22504	2.8
283.15378	14.7
283.20511	2.5
285.16943	1.4
287.20230	1.4
291.23227	1.4
297.22064	2.6
299.23630	14.7
301.21536	3.0
315.23019	2.7
317.24622	7.8
321.85742	1.2
333.24323	3.5
335.25833	9.3
343.22684	1.5
357.24139	1.3
361.16983	1.2
371.25909	1.6
373.27554	1.7
375.25308	1.1
415.29874	2.3
423.32492	2.7
433.30988	6.6
441.33472	1.4
451.32147	9.2
469.33197	13.0
487.34299	7.1
501.69980	1.2
515.37299	4.7
517.35730	1.1
525.35706	19.0
533.38202	2.2
543.36804	100.0
544.36560	5.8
561.37860	55.7
562.38086	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01869	7.2
55.05257	2.4
55.05508	39.0
57.03431	6.5
57.07079	2.9
60.15470	1.3
65.03928	2.1
67.05499	58.1
69.03432	3.2
69.07066	19.1
69.63198	5.3
69.63626	5.6
69.73853	1.2
71.04987	4.6
79.05489	38.8
81.03407	9.3
81.07053	52.7
83.04974	9.8
83.08622	19.9
85.02898	2.3
85.06534	2.9
91.05476	32.9
93.07036	41.5
95.04964	9.1
95.08595	36.0
97.06544	6.4
97.10162	24.0
103.05463	1.9
105.07030	29.4
107.04964	3.6
107.08585	31.0
109.06540	5.9
109.10145	19.6
111.04414	6.6
111.08076	6.2
115.05468	1.7
117.07008	19.9
119.08569	26.6
121.06470	2.4
121.10128	17.0
123.08088	2.7
123.11717	6.1
125.09628	17.0
128.06250	1.7
129.07011	9.4
131.08562	23.6
133.06432	1.5
133.10124	19.3
135.08066	5.2
135.11681	14.3
137.09564	2.7
141.06969	3.1
142.07721	1.7
143.08554	8.1
145.06422	1.8
145.10101	23.3
147.08072	2.5
147.11674	15.2
149.09605	3.2
149.13272	6.1
149.97253	1.3
151.11281	1.8
153.09050	2.4
153.12741	5.4
155.08545	8.4
157.10109	10.9
159.08058	1.5
159.11674	14.7
161.09644	2.7
161.13182	7.5
163.11191	11.1
163.14842	1.7
169.10191	4.8
171.08089	1.2
171.11624	8.1
173.09619	3.2
173.13232	10.8
175.11200	2.0
175.14877	2.7
177.12701	2.1
181.10121	2.9
181.12282	5.3
183.11691	5.5
185.09508	1.7
185.13222	6.9
187.14899	5.0
189.11263	13.7
191.10661	3.0
193.12154	3.0
195.11731	2.7
197.13283	4.8
199.14854	5.2
201.16426	1.6
209.13425	3.4
211.13200	1.9
211.14923	2.5
213.16464	2.2
223.14964	1.8
227.12762	24.6
241.19559	2.5
243.21013	2.0
245.13661	2.0
259.20642	5.5
261.22116	9.3
261.59460	1.4
267.16003	3.7
273.22113	2.3
277.21680	3.6
283.15390	9.3
283.20587	3.0
297.22244	1.5
299.23590	14.2
299.26083	1.2
301.21671	4.5
315.22949	1.8
317.21582	1.6
317.24814	9.9
333.24417	2.8
335.25830	9.5
339.23276	2.3
357.24280	1.9
404.49103	1.4
415.29767	2.0
423.32690	2.0
433.31033	7.6
439.79462	1.6
451.32001	11.4
459.34824	1.6
469.33069	12.7
487.34146	10.8
489.33496	1.6
515.37549	4.2
525.35724	23.1
525.43011	2.3
543.36774	100.0
544.37000	3.7
561.38019	51.4
562.38562	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	561.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56147	0.4
53.00278	0.5
55.05509	2.2
57.03433	0.5
59.56808	0.5
61.02911	0.5
69.03420	3.5
70.06585	2.2
70.75507	1.2
72.08149	86.7
73.02927	0.4
74.53872	0.4
77.50471	0.4
80.01384	0.6
81.03413	1.5
82.02930	1.5
84.08134	0.5
85.02897	7.6
87.04475	0.7
89.10793	1.0
91.05465	2.3
97.02871	2.0
98.02403	3.2
98.06052	1.3
99.00822	5.0
99.04471	0.8
107.04945	2.2
109.02908	0.9
110.02393	58.7
114.09155	0.6
115.41457	0.4
116.03442	2.1
119.04916	4.0
127.03929	1.3
128.03430	6.0
145.04903	0.6
145.06496	1.4
147.04385	3.3
150.09157	0.6
151.08687	0.4
152.07051	51.8
153.21339	0.4
164.63982	0.4
169.09711	36.7
170.08104	19.4
187.10838	1.2
195.08006	0.7
212.08305	2.4
213.09126	1.9
218.11835	1.1
223.07626	0.7
225.09003	0.5
237.08972	1.0
265.08612	1.5
280.20505	0.4
293.08112	0.7
364.15341	1.6
381.18103	4.8
382.16602	1.1
399.19141	14.7
435.14481	0.4
456.35690	0.5
543.23309	2.7
544.21875	2.5
561.24402	100.0
562.25177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01871	7.5
55.05505	39.4
57.03427	7.6
57.07063	3.3
62.03033	1.5
65.03931	4.0
66.99975	1.6
67.05497	61.6
69.03418	4.8
69.07060	19.1
70.88133	4.3
71.04985	4.7
71.08629	1.4
79.05481	47.0
81.03414	9.3
81.07050	69.7
83.04971	11.7
83.08609	20.5
85.02905	3.7
85.06535	2.2
91.05473	35.3
93.07031	48.0
95.04967	11.3
95.08598	38.9
97.02904	1.6
97.06528	6.5
97.10166	26.5
99.08101	2.6
100.66909	1.4
105.07015	33.8
107.04943	4.2
107.08579	31.7
109.06518	4.3
109.10149	24.1
111.04437	8.2
111.08082	4.4
115.05473	2.3
117.07014	20.9
119.08576	27.3
119.09366	2.7
121.06501	4.5
121.10140	17.4
123.08073	4.5
123.11710	7.7
125.09612	21.5
128.06311	1.9
129.07007	10.4
130.07794	1.3
131.08554	28.6
133.06519	2.9
133.10121	20.4
135.08029	6.1
135.11678	20.3
137.09578	2.3
137.13339	1.3
141.06995	2.2
142.07693	1.4
143.08553	9.2
145.10115	26.1
147.08064	3.0
147.11673	13.5
149.09634	3.7
149.13261	6.9
151.11188	3.3
153.09059	2.4
153.12773	6.1
155.08582	6.8
157.10118	9.9
159.08072	2.4
159.11664	17.5
161.09683	1.9
161.13202	8.6
163.11150	13.5
163.14835	2.1
167.08549	2.5
169.10143	5.4
171.11662	9.3
173.09552	3.3
173.11855	2.6
173.13211	12.3
175.14825	2.5
176.71689	1.6
177.12747	2.6
181.12271	6.4
183.11710	5.5
185.13258	5.4
187.13374	1.7
187.14876	6.4
189.11247	11.2
189.12737	1.9
191.10631	3.4
193.12202	3.1
195.11697	2.1
196.25282	1.6
197.13292	4.5
199.14888	4.4
201.16414	2.3
209.11713	2.5
209.13373	3.5
209.15157	1.5
211.13197	2.7
211.14977	1.6
213.16405	1.8
223.14809	3.0
227.12741	24.4
231.17352	1.6
241.19467	2.1
243.15822	2.0
243.21169	1.6
245.13884	1.8
259.20630	5.7
261.22089	11.9
267.15927	4.2
273.22195	1.5
277.21622	3.8
279.23193	2.0
283.15375	13.8
283.20447	2.1
285.16840	2.3
297.22086	4.1
299.23621	17.2
301.21790	5.1
315.23242	2.0
317.24622	9.9
325.21545	1.6
333.24295	5.0
335.25754	8.3
351.72754	1.6
357.24268	1.9
415.29678	1.8
423.32764	2.7
433.30988	7.4
451.31973	13.9
469.33118	10.9
487.34369	8.9
496.76038	1.5
515.37140	4.3
525.35754	24.4
526.35730	1.8
543.36780	100.0
544.37274	6.9
561.37866	64.2
562.38599	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	561.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55782	0.9
55.01855	0.9
55.05495	2.6
58.51907	0.9
60.60606	1.0
61.02919	2.0
67.01766	0.8
69.03425	4.0
70.06580	3.0
70.96771	2.2
71.01345	0.9
72.08150	98.5
81.03400	2.6
82.02948	1.1
84.08126	1.2
85.02902	9.8
89.10771	1.8
91.05460	1.8
97.02903	2.8
98.02416	3.7
98.06060	1.5
99.00806	5.0
107.04959	3.3
110.02395	62.5
114.09203	1.1
115.08684	1.3
116.03436	1.9
119.04926	6.3
124.07584	0.9
127.03946	3.0
128.03441	7.3
145.05002	0.9
145.06390	1.2
147.04398	15.3
152.07059	54.2
159.79759	0.9
169.09714	37.4
170.08109	20.6
189.34991	1.0
212.08365	2.2
213.09206	1.7
218.11790	3.1
235.14307	0.9
237.09181	1.3
247.07565	1.3
265.08530	1.3
350.29477	1.0
364.15387	1.7
381.18158	6.0
382.16302	1.1
399.19086	15.2
543.23303	3.9
544.21783	4.2
546.54779	1.2
561.24396	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	561.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
53.59821	0.2
55.01844	0.6
55.05487	0.2
57.03426	1.1
59.04992	0.2
61.02925	1.6
65.03917	0.3
67.05498	1.1
69.03426	4.3
69.07041	0.3
69.31390	0.5
69.31812	1.2
71.01326	0.2
71.04972	0.6
72.08140	0.3
73.02904	0.8
79.05470	0.4
81.03407	1.8
81.07046	0.4
81.24262	0.2
83.01317	0.2
84.08124	0.2
85.02901	9.8
85.06524	0.2
87.04443	0.6
91.03927	0.4
91.05463	0.7
93.03408	0.2
93.07025	0.4
95.04942	0.4
95.08586	0.4
97.02280	0.2
97.02890	3.6
97.06492	0.2
99.04431	0.7
101.02344	0.2
105.03378	0.3
105.07001	0.5
106.45181	0.1
107.04942	1.0
107.08578	0.5
109.02885	1.4
109.06507	0.2
109.10151	0.4
111.04439	0.2
115.03926	0.2
115.05469	0.2
117.07035	0.2
119.04938	0.9
119.08579	0.3
121.02856	1.7
121.10097	0.2
123.04388	0.6
123.11680	0.2
127.03905	2.1
129.06967	0.2
129.67043	0.1
131.04921	0.7
131.08543	0.3
133.02818	0.3
133.10094	0.3
135.04395	0.3
135.08041	0.2
137.02232	0.2
137.05977	0.3
143.08565	0.4
145.04936	1.1
145.06441	0.3
147.04396	0.8
147.11665	0.3
151.03918	0.2
153.05475	0.2
155.08588	0.3
157.06412	0.2
157.10150	0.3
159.04352	0.3
159.08026	0.2
161.02258	0.2
161.05933	0.3
163.03880	0.2
165.06845	0.2
167.03331	0.2
167.07047	0.4
167.08481	0.3
169.06493	0.2
171.08049	0.3
172.05411	0.2
173.06033	0.2
175.03883	0.3
175.07478	0.2
177.05513	0.2
179.08530	0.2
181.04921	0.2
181.06418	0.3
183.08038	0.2
185.05977	0.2
187.03934	0.2
189.09128	0.2
191.03383	0.5
193.05000	0.2
194.07184	0.2
195.07996	0.4
197.05989	0.2
199.03906	0.2
199.07460	0.3
203.03348	0.6
205.04951	0.2
207.06430	0.2
209.04375	0.4
211.07565	0.3
213.05455	0.4
217.04820	0.2
219.08034	0.2
223.07487	0.3
224.08444	0.2
227.06944	0.7
231.08052	0.4
237.05327	0.2
243.23422	0.2
246.10555	0.2
247.07582	0.2
251.06947	0.2
255.06505	0.5
256.08865	0.2
260.08258	0.2
265.08609	0.7
267.06567	0.3
271.11124	0.4
274.09848	0.7
279.06497	0.3
279.10135	0.3
281.08124	0.6
283.06024	0.5
284.08322	0.3
285.11337	0.2
289.12106	0.2
291.06461	0.4
291.09772	0.2
292.07187	0.3
293.08066	2.7
295.06137	0.3
296.06735	0.2
297.07639	0.9
299.10562	0.2
302.09399	0.7
303.09967	0.3
305.08145	0.6
306.08771	0.2
307.05942	0.6
307.09650	0.7
307.13034	0.2
309.07550	24.2
310.07895	0.4
312.06302	0.4
317.11707	0.7
319.09607	0.4
320.06668	0.4
321.07611	5.5
321.11130	0.9
321.14252	0.2
323.09128	1.1
324.06009	0.2
325.07135	0.7
327.08530	4.1
329.07999	0.3
333.07538	2.1
334.08331	1.8
335.09097	2.5
335.12735	0.6
336.06186	0.3
336.09732	0.2
339.08548	1.1
343.08096	0.4
345.11200	10.4
347.09201	1.6
348.09879	3.0
351.08432	0.4
363.12250	39.8
364.12393	0.8
366.11157	0.2
379.11700	0.3
381.13306	100.0
382.13724	2.2
393.13120	0.3
399.14374	3.3
400.14722	0.2
475.62234	0.2
489.14090	0.3
505.13452	0.3
527.65192	0.2
543.18628	5.8
544.19055	0.2
561.18079	1.1
561.34540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05194	1.0
53.03939	2.2
55.01883	2.1
55.05508	1.6
57.03444	5.0
61.02927	4.8
65.03938	1.0
67.05496	6.0
69.03423	18.9
69.07068	3.5
71.01334	1.8
71.04993	3.4
71.61894	1.5
73.02910	3.5
75.88718	1.0
79.05500	2.5
80.59574	0.9
81.03411	9.6
81.07035	6.2
83.04987	1.0
84.08134	2.8
85.02897	27.8
85.06556	2.5
86.09701	1.4
87.04473	2.3
91.04014	1.1
91.05460	5.5
93.07049	3.8
95.04961	2.1
95.08607	3.6
97.02886	13.2
97.06510	1.1
99.04466	2.0
101.02364	2.2
105.07019	4.2
107.04953	2.4
107.08589	3.6
109.02866	6.9
109.06527	1.9
109.10177	3.8
112.16286	0.9
115.03962	0.8
115.05450	0.9
117.07047	1.1
119.04948	1.8
119.08585	2.8
121.02867	3.9
121.06528	2.0
121.10152	3.7
123.04416	6.6
123.08111	1.0
123.11665	1.0
125.09662	1.2
127.03899	11.1
128.06157	0.8
129.07022	0.9
131.08583	2.0
131.82596	0.8
133.10110	2.4
135.04492	1.0
135.08031	1.8
135.11722	1.7
137.02377	1.4
137.05989	2.6
137.09648	0.9
140.12366	0.9
141.05489	0.9
145.02930	0.8
145.05003	2.1
145.10153	1.5
147.04425	4.9
147.11734	1.4
149.05945	2.1
149.09613	1.2
149.13268	1.3
151.03864	5.3
151.07545	1.1
155.08681	0.9
157.10109	1.2
159.04491	1.0
159.11710	1.8
161.06017	1.4
163.07567	3.3
167.07080	2.7
169.12253	1.2
171.11644	1.2
173.13310	1.4
175.04034	0.9
175.07520	1.2
177.05429	1.4
177.09058	4.2
181.04948	1.0
189.09138	1.6
191.03391	2.2
193.08586	1.2
193.12218	1.0
199.07634	1.2
203.03419	2.1
203.06953	1.4
207.06573	2.3
209.04430	2.0
217.05229	0.8
227.46844	1.0
255.06474	2.0
263.07108	1.3
265.08569	1.3
267.06451	0.9
271.05896	2.0
279.06494	0.9
281.08170	2.6
283.05829	1.3
291.06577	1.1
293.07983	4.1
295.06128	1.2
296.06873	2.3
297.07492	9.8
299.05594	1.1
299.12836	2.5
307.06024	4.3
307.09232	1.1
308.06686	1.2
309.07538	92.0
310.07996	2.4
311.09167	3.3
313.06982	1.6
315.08652	2.6
321.07544	21.5
321.11121	1.5
323.05527	1.0
324.06241	28.8
325.07019	3.8
327.08524	10.2
328.08939	1.5
329.08975	1.4
333.07504	1.7
335.09247	3.6
335.12933	1.7
337.06830	1.3
337.10553	1.1
339.08585	100.0
340.09143	2.2
345.11237	3.2
347.09143	1.6
349.07385	1.0
351.08530	6.5
351.12216	1.1
353.10278	1.0
353.13904	4.6
363.08490	1.7
363.12262	19.1
379.11765	1.7
381.09863	4.0
381.13351	76.5
382.13712	2.2
397.12784	1.6
398.12949	1.3
399.14334	76.0
400.14902	2.1
423.14597	2.1
441.15897	1.3
457.24384	1.6
501.14032	5.4
543.18738	41.1
543.27533	1.8
544.19055	1.3
561.19641	97.2
561.32239	5.2
561.39899	2.4
562.20148	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	561.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.9
55.01826	0.7
55.05483	0.3
57.03427	1.6
61.02914	2.4
61.73315	0.2
65.03914	0.5
67.05496	1.3
69.03423	7.5
69.07039	0.2
69.43775	1.5
69.44189	0.6
71.01306	0.2
71.04948	0.9
73.02910	1.7
79.05487	0.4
81.03413	2.2
81.07011	0.7
83.01320	0.3
83.04955	0.3
85.02895	12.0
87.04462	1.2
90.10220	0.2
91.03933	0.4
91.05453	1.0
93.07006	0.4
95.01262	0.2
95.04908	0.4
95.08569	0.3
97.02295	0.2
97.02887	4.1
99.04421	1.3
101.02356	0.4
103.03870	0.5
103.05437	0.2
105.06979	0.9
107.04951	2.1
109.02854	1.4
113.02321	0.2
115.03906	0.2
115.05412	0.4
117.06938	0.2
119.04925	1.3
119.08516	0.4
121.02862	3.8
121.10060	0.4
123.04366	0.6
123.07933	0.2
127.03905	1.9
128.06143	0.5
129.06978	0.4
130.38750	0.2
131.04881	0.6
131.08566	0.3
133.02834	0.5
133.06459	0.3
133.10114	0.2
135.04396	2.9
137.02319	0.2
141.06926	0.3
141.41547	0.2
143.08546	0.6
145.04904	0.6
145.06458	0.6
145.10085	0.5
147.04382	1.8
153.01781	0.9
155.08450	0.5
157.06453	0.2
159.04382	0.5
159.08006	0.6
161.02298	0.3
161.05974	0.3
161.09563	0.2
163.03822	0.5
165.05412	0.5
167.07014	0.5
167.08415	0.3
171.04399	0.6
171.07962	0.8
173.09569	0.3
175.03850	0.3
177.05482	0.3
179.03278	0.3
183.07977	0.5
185.05878	0.2
185.09544	0.2
187.07433	0.4
191.03328	0.6
195.07986	0.8
199.07460	0.6
201.09097	1.2
203.03270	0.6
203.06885	0.5
209.04428	0.4
209.09592	0.2
213.09047	0.5
217.08592	0.3
219.07991	0.3
221.09442	0.4
227.06984	3.8
229.08662	0.3
231.08014	0.4
237.09065	0.4
239.06895	0.3
241.08591	0.3
243.11786	0.3
245.08105	0.8
246.10324	0.7
249.09035	0.5
253.04875	0.3
253.08562	0.5
254.05690	0.3
255.06529	0.7
256.08829	0.3
261.12427	0.2
263.06979	0.3
265.08588	0.7
267.06509	0.5
267.10257	0.4
271.05991	11.3
271.10886	0.6
272.06287	0.5
273.07089	0.3
274.09888	0.9
277.08524	0.5
279.06549	0.5
280.07239	0.3
281.08063	1.3
283.05984	0.8
289.12128	0.7
291.06546	0.5
292.07312	0.3
293.08026	3.9
295.06097	0.7
295.09619	0.8
297.07486	1.6
302.09338	0.5
303.06586	0.4
303.10049	0.3
305.08020	1.3
306.08755	0.7
307.05820	0.6
307.09561	1.1
307.13312	0.6
309.07532	28.3
310.08047	0.3
313.20306	0.3
316.10867	0.3
317.11609	1.8
319.05969	0.7
319.09616	1.3
320.06824	0.7
320.10480	0.7
321.07614	6.7
321.11209	1.2
322.08023	0.3
323.05618	0.3
323.09131	0.6
325.07098	0.3
327.08817	0.9
329.07843	0.6
330.08813	0.4
331.09644	1.1
333.07526	3.5
333.11414	0.4
334.08350	2.4
334.11874	0.4
335.09039	2.6
335.12784	1.9
339.08426	0.3
345.11185	8.1
347.09100	4.3
348.09897	3.4
351.08655	0.8
362.11414	0.5
363.12222	100.0
364.12689	2.1
381.13293	32.1
382.13522	0.4
387.12375	1.0
391.11899	0.3
399.14401	6.7
405.13245	5.8
423.14285	1.1
429.13254	0.5
471.12982	1.5
489.13910	2.4
525.17529	10.0
526.03510	0.2
543.18579	51.3
544.18958	0.8
561.19647	41.8
562.19666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1962
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
51.68714	0.4
52.75431	0.4
53.03907	0.7
55.01847	0.7
55.05489	0.4
57.03387	1.8
57.66752	0.4
61.02926	2.6
65.69530	0.4
67.05484	0.5
69.03422	8.2
69.07024	0.4
69.47863	3.9
70.06552	0.6
70.86774	0.4
71.04945	0.6
72.08118	0.6
73.02873	1.4
73.40526	0.5
75.18403	0.5
79.05437	0.6
81.03412	3.4
84.13863	0.5
85.02899	13.7
87.04437	0.7
91.03920	0.6
91.05437	1.1
93.06970	0.5
95.04942	0.6
95.08578	0.7
97.02879	4.4
99.04400	1.4
103.03901	0.8
105.07016	0.6
107.04919	1.4
109.02799	1.7
119.04863	1.2
121.02818	1.8
121.09164	0.5
121.10104	0.5
127.03882	3.2
131.04872	0.7
133.02785	0.5
135.04398	0.7
145.04895	0.6
145.10045	0.5
147.04361	2.7
153.05423	0.8
161.02235	0.6
161.05844	0.5
163.03848	0.9
165.05458	1.0
171.04355	0.8
187.03879	0.5
191.03320	1.5
201.09024	0.7
203.03392	1.1
209.04375	0.8
219.02834	0.6
227.06963	0.6
229.05063	1.0
237.08971	0.8
239.06514	0.5
253.08549	1.0
255.06308	0.6
265.08563	2.1
267.06503	0.6
271.05951	0.7
277.08566	0.5
281.08038	2.4
291.06421	0.8
293.08084	8.1
295.06213	0.5
297.07571	1.1
303.06668	1.1
305.08096	0.7
307.06046	4.7
307.09506	0.8
307.13290	1.1
308.06689	1.0
309.07538	65.5
310.07831	1.3
313.10385	0.6
319.05762	0.6
320.06763	1.3
320.10413	0.7
321.07562	50.6
322.07834	1.1
323.09241	3.9
326.15988	0.5
327.08664	1.4
333.07715	1.2
334.08298	0.8
335.09177	0.8
335.12689	5.6
339.08551	6.0
345.11191	1.5
347.09149	1.7
348.09842	2.0
351.08524	1.9
357.09604	0.8
363.08490	5.5
363.12299	44.6
364.12656	1.2
381.09473	7.4
381.13345	29.5
399.14398	31.2
405.13196	1.8
423.14392	1.6
471.12805	1.6
483.12384	0.8
497.18042	0.9
525.17621	3.3
543.19348	21.9
561.19647	100.0
562.20270	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	561.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62889	0.5
53.03928	0.8
55.01860	1.2
55.05508	0.5
61.02905	1.2
65.03934	0.5
67.05499	2.3
69.03428	4.5
69.07045	0.6
69.57123	4.1
71.04985	1.1
73.02886	0.6
79.05510	0.8
81.03406	2.3
81.07040	1.3
85.02421	0.7
85.02904	10.0
87.04442	0.5
91.05480	1.4
93.07047	1.1
95.04958	3.9
95.08646	0.5
97.02901	3.6
99.04455	1.3
100.47617	0.5
105.07000	1.1
107.04948	1.5
107.08597	0.6
109.02862	1.6
109.06495	1.0
109.10139	0.8
119.04939	0.7
119.08579	1.2
121.10152	0.5
123.04424	60.0
127.03899	2.3
127.95923	0.5
131.04936	0.5
131.08568	1.3
133.06525	0.9
135.04416	1.5
136.77193	0.5
137.26445	0.4
141.95760	0.5
142.84296	0.5
145.04970	0.9
147.04414	3.6
149.05992	1.0
149.09616	0.8
151.03954	0.5
153.05464	1.0
159.08006	1.0
161.05965	1.3
161.09634	0.5
163.03854	0.9
165.05440	1.1
167.07010	0.7
173.09473	0.5
175.07576	1.1
177.05504	0.9
177.09036	0.6
178.04924	0.6
181.18338	0.5
181.19994	0.5
183.08055	0.6
187.03952	1.0
187.07509	0.6
189.05507	1.8
191.03432	0.6
192.02655	0.5
201.05486	0.9
201.08986	0.6
203.03427	1.1
203.07002	1.0
205.04933	1.3
206.04449	0.8
213.09094	0.6
217.04903	3.7
217.08589	1.5
219.10188	1.1
225.09085	0.7
227.07085	0.9
229.04900	0.6
229.08534	1.0
231.10144	1.2
241.08507	0.8
245.08075	5.9
253.08644	1.1
259.09659	17.8
263.09152	0.9
271.09604	6.3
277.10693	4.4
282.05084	0.6
289.10733	1.6
295.06073	0.6
295.09662	0.8
297.07678	0.8
312.06345	0.9
321.07416	1.0
325.06873	0.7
327.08545	2.7
335.12796	1.3
341.06528	1.0
342.06927	1.2
343.07251	1.4
345.11151	1.2
347.08850	0.7
348.09903	1.2
349.51849	0.5
363.12241	19.5
381.13330	38.4
396.74600	0.6
397.12503	0.8
398.13162	1.3
399.14352	100.0
400.14713	1.4
423.14191	1.4
441.15393	1.6
525.17346	0.8
543.18359	1.1
561.18542	2.6
561.33899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1966
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
53.03912	0.7
55.01844	0.5
57.03436	1.7
61.02925	2.2
65.03923	0.3
67.05463	0.9
69.03425	7.2
71.01313	0.3
71.04954	0.4
73.02907	1.7
78.73551	0.2
81.03411	2.1
81.07041	0.3
85.02901	9.3
87.04457	1.0
90.30283	0.2
91.03925	0.4
91.05444	0.8
93.07009	0.2
97.02885	4.0
98.20663	0.3
99.04404	0.9
101.02354	0.4
103.03914	0.5
107.04976	1.2
109.02863	1.3
115.03914	0.3
119.04956	1.2
121.02882	2.6
127.03912	1.5
131.04875	0.9
133.02849	0.3
135.04375	0.3
145.04926	0.4
145.06395	0.2
147.04367	0.9
153.01846	0.4
153.06816	0.2
155.08472	0.4
157.06500	0.3
167.08450	0.2
171.04298	0.2
171.07933	0.3
173.86206	0.2
175.03815	0.2
179.03497	0.2
181.06474	0.4
183.08046	0.3
185.05861	0.3
187.03857	0.2
191.03342	0.5
195.08035	0.6
199.03880	0.3
199.07509	0.7
203.03342	0.6
209.04332	0.4
211.07594	0.4
213.05406	0.9
217.04933	0.2
223.07562	0.3
227.07011	1.0
228.09418	0.3
229.08470	0.2
231.08197	0.3
232.08766	0.3
237.09012	0.3
237.48402	0.2
246.10381	0.6
255.06511	0.3
265.08649	0.8
271.05960	1.3
271.11008	0.4
273.07492	0.3
274.09961	0.5
277.08453	0.3
279.06552	0.2
280.07227	0.6
281.08063	1.0
283.06030	0.7
287.10706	0.2
289.08807	0.3
289.12137	0.5
293.08069	3.5
294.08749	0.2
295.06165	0.3
296.06851	0.3
297.07617	1.2
299.10431	0.3
302.09323	0.8
303.06839	0.3
303.10187	0.5
305.08090	0.8
306.08792	0.3
307.06256	0.5
307.09729	0.9
308.06876	0.3
309.07547	31.1
310.07733	0.5
311.08963	0.2
317.11597	1.2
319.09692	0.7
320.06781	0.5
320.10345	0.3
321.03741	0.4
321.07617	7.5
321.11185	1.3
323.09085	0.8
327.08469	2.2
329.08237	0.2
330.08945	0.4
331.09616	0.4
333.07581	2.5
334.08322	2.6
334.12000	0.4
335.09091	2.6
335.12735	0.8
339.08566	1.0
345.11194	13.2
346.11807	0.4
347.09100	2.0
348.09866	3.5
351.08563	1.4
362.11441	0.4
363.12244	54.2
364.12567	0.9
377.09781	0.3
381.13306	45.1
382.13586	0.5
387.12250	1.0
399.14230	0.8
403.11401	0.2
405.13354	3.2
423.14328	2.3
447.14682	0.3
478.06189	0.2
489.13950	4.5
525.17535	2.3
534.00604	0.2
543.18597	100.0
544.18707	1.4
561.19751	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	561.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01845	1.7
55.05472	1.3
57.03403	1.9
61.02883	1.5
65.03918	1.0
67.05493	3.0
68.99747	0.6
69.03427	9.6
69.07041	0.9
70.06567	0.5
71.04951	1.1
71.62717	0.9
73.02893	1.1
79.05456	1.4
80.86858	0.6
81.03409	3.7
81.07027	2.3
85.02900	9.9
85.85147	0.5
87.04422	1.1
91.03925	0.7
91.05455	1.2
93.06997	1.2
95.04977	3.7
95.08561	1.4
97.02885	4.5
99.04423	1.0
101.02320	0.6
105.06976	0.8
107.04930	1.2
107.08556	1.2
109.02843	1.7
109.06470	0.7
109.10121	1.4
117.07031	0.8
119.04906	0.9
119.08553	1.3
121.02810	0.8
121.10110	0.9
123.04420	7.0
123.11648	0.9
127.03952	2.8
131.08470	0.7
135.04367	1.7
137.05914	0.8
141.01785	2.3
141.05467	2.9
145.10120	0.8
147.04369	2.1
149.02364	3.0
150.02620	1.4
153.05365	0.7
157.10144	0.6
161.02264	1.6
163.03854	2.0
163.18304	0.5
167.03360	2.4
167.07040	1.0
167.08543	0.6
172.56131	0.6
181.04958	1.1
191.03383	39.2
201.16377	0.6
209.04440	57.1
211.03851	1.2
223.07498	1.1
251.06932	0.9
267.06570	0.6
279.06497	3.7
307.05988	44.7
308.06363	0.7
310.32608	0.6
313.06973	1.6
313.49185	0.6
325.07043	100.0
326.07324	1.4
327.04913	0.9
339.08591	0.8
343.08102	36.1
349.06934	0.7
363.11716	0.7
379.11780	1.4
380.12173	0.9
381.13239	8.0
397.12854	1.9
398.13242	2.6
399.14334	84.9
400.14377	1.2
487.12302	2.8
505.13373	12.2
543.18359	2.0
561.19568	31.8
561.33032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01858	0.4
55.05480	0.3
57.03442	1.4
61.02923	2.1
64.04372	0.2
64.87411	0.2
67.05477	0.3
69.03073	0.4
69.03424	6.5
69.07047	0.5
69.70792	1.3
71.01351	0.3
71.04945	0.6
72.08138	0.5
73.02898	1.0
78.02753	0.2
79.05462	0.3
81.03407	2.6
81.07029	0.5
83.04947	0.2
85.02898	11.9
87.04430	0.8
91.03936	0.9
91.05454	0.9
93.07025	0.7
95.04945	0.3
95.08582	0.4
97.02295	0.3
97.02892	4.6
97.06539	0.4
99.04432	0.8
101.02341	0.2
105.03355	0.3
105.07002	0.6
107.08569	0.3
109.02883	1.6
109.10195	0.2
115.03920	0.4
117.06944	0.3
119.08543	0.5
127.03905	2.8
133.02827	0.6
134.03670	0.3
137.02272	0.5
137.05975	0.3
145.04955	1.1
147.04366	0.9
148.05167	1.4
151.03874	0.3
163.03966	0.3
167.03369	0.4
167.07031	0.6
184.05106	0.5
185.05937	0.4
191.03430	0.5
198.06764	0.3
201.05428	0.8
215.07018	0.4
217.04832	0.3
217.08914	0.2
225.05472	0.3
229.04971	0.8
233.08069	0.3
243.06441	0.5
244.07272	2.9
253.04941	0.7
254.05664	0.4
255.06523	0.5
257.04401	0.9
262.73505	0.3
269.04410	0.3
271.06003	0.9
272.06793	1.0
282.05185	0.5
283.05908	0.4
285.03836	1.6
287.05289	0.3
297.07608	0.9
298.04816	0.4
299.05524	2.0
300.06293	3.6
307.05890	0.3
309.04037	0.3
309.07581	0.4
310.04770	1.7
311.05542	0.4
313.03476	5.7
313.06946	0.5
315.05099	0.5
315.08679	0.7
324.06253	0.4
325.07047	13.8
327.04953	2.1
328.05756	36.1
329.06384	0.9
341.06592	1.7
343.08093	100.0
344.08398	1.3
363.12259	0.4
381.13394	0.5
385.09189	1.9
399.14355	74.0
400.14713	1.5
441.15240	0.4
487.12262	0.6
505.06256	0.4
505.13351	4.2
543.18127	0.4
561.19513	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	560.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01870	7.7
55.05504	15.5
56.41278	1.5
57.03444	14.4
57.07076	1.6
59.04976	2.7
67.05501	22.0
69.03424	2.5
69.07055	5.8
71.04971	5.2
71.63970	1.5
79.05487	24.2
81.03413	56.4
81.07049	24.2
82.07385	2.6
83.01339	3.5
83.04990	9.7
83.08614	13.9
85.02885	4.8
91.05467	20.9
92.05825	1.6
93.07046	24.2
94.07343	2.1
95.04975	19.0
95.08613	8.0
97.02884	3.5
97.06506	5.7
97.10153	7.4
105.07023	16.6
106.07336	1.6
107.04954	10.0
107.08583	13.3
108.47597	1.7
109.02831	2.0
109.06496	7.8
109.10133	4.5
111.04494	2.2
111.08078	5.4
115.05462	1.5
115.57217	1.6
117.07022	8.4
119.04922	2.2
119.08556	15.0
121.06520	4.3
121.10136	8.1
123.04404	1.9
123.08064	5.0
123.11715	1.8
125.09606	4.9
129.06966	8.4
131.04930	2.2
131.08594	9.4
133.06506	1.8
133.10161	7.0
135.08080	2.5
135.11668	5.4
143.08583	3.6
145.06531	2.7
145.10100	14.6
147.08046	5.1
147.11687	8.4
149.09630	4.1
149.13120	1.5
155.08545	2.4
157.10095	8.2
159.11670	2.7
161.06007	2.9
161.09546	1.6
163.11180	12.6
169.10181	2.0
173.09621	3.5
175.11186	5.8
182.98012	1.5
183.11824	2.0
185.13318	2.5
189.11174	2.2
191.10655	2.9
193.12248	12.4
198.22304	1.5
203.53040	1.5
210.19611	1.7
211.11078	2.3
211.13211	4.7
227.12762	3.7
231.13905	3.6
258.19272	1.5
267.15906	49.2
275.20117	1.9
276.20370	2.2
283.15366	31.5
289.14471	2.4
289.17767	1.6
349.23709	2.6
357.71939	1.5
365.21176	2.9
383.22171	21.2
401.23065	10.6
419.23950	3.0
431.23615	2.0
439.24792	3.2
457.25809	24.0
468.31497	2.5
475.26895	100.0
486.33127	2.2
493.27829	8.7
542.35034	10.4
560.18115	1.8
560.36475	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	561.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20000	0.1
53.03890	0.3
55.01819	0.3
55.05463	0.3
57.03385	0.4
57.97269	0.1
60.23125	0.1
61.02861	0.9
64.19212	0.1
67.05441	0.3
69.03426	3.1
69.03773	0.2
70.23093	0.2
70.23492	0.3
71.04926	0.3
73.02847	0.6
79.01829	0.1
79.05438	0.3
81.03413	1.0
81.57889	0.1
85.02900	4.0
87.04404	0.4
91.03899	0.1
91.05476	1.2
95.04890	0.4
97.02883	1.7
99.04393	0.3
105.03310	0.2
107.04885	0.3
109.02812	0.5
117.03350	0.2
119.04939	0.8
121.02821	0.1
123.04459	0.6
127.03896	0.7
131.04863	0.3
133.10083	0.1
135.04349	0.5
137.02344	0.7
141.01746	0.3
141.05420	0.4
145.02800	0.2
145.04892	0.3
147.04401	2.7
149.02240	0.4
151.87479	0.1
153.05406	0.1
159.04361	0.1
161.02184	0.2
163.03825	0.5
165.05481	1.5
166.07454	0.1
167.03322	0.3
167.08517	0.3
177.05443	0.1
181.04887	0.4
183.06564	0.2
191.03381	2.9
195.08073	0.5
201.05449	0.2
205.06493	0.3
209.04422	2.0
213.09000	0.3
223.07443	0.6
227.07095	0.2
229.04869	0.2
241.08589	0.5
251.07062	0.7
253.04967	0.2
257.04303	0.2
269.08060	1.6
271.06061	0.6
275.05594	0.2
279.06500	0.7
283.05804	0.2
295.06067	0.2
297.04230	0.1
297.07526	4.1
299.05508	0.2
307.05997	1.6
310.04843	0.1
311.05420	0.2
313.07016	0.2
323.05563	0.2
324.06216	1.0
325.07034	100.0
326.07370	1.2
327.05109	0.8
337.07022	0.2
339.08716	0.4
341.06628	0.2
343.08115	10.2
351.08557	0.2
367.08063	1.5
381.13336	4.9
399.14392	16.2
400.14871	0.1
441.15372	0.1
487.12350	6.1
505.13376	17.5
526.42706	0.1
543.18616	2.2
561.19727	29.8
562.19910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
55.05506	36.0
55.17586	1.2
57.03426	2.8
57.07069	10.4
67.05495	30.4
69.03437	1.6
69.07059	63.1
71.04986	4.0
71.08619	5.2
71.36235	1.6
71.36559	1.5
73.34361	1.1
73.97491	1.0
79.05479	17.8
81.03429	1.2
81.06571	2.8
81.07048	50.5
81.92179	1.3
83.04976	4.0
83.08608	41.4
85.06525	4.7
85.10175	2.2
91.05464	17.3
93.07037	20.9
94.89771	1.0
95.04979	2.7
95.08595	46.4
97.06522	10.8
97.10158	46.8
99.08083	4.8
105.07026	14.0
106.46696	1.4
107.08582	19.3
109.10140	25.1
111.08078	4.0
111.11701	22.9
113.05933	1.3
113.09655	3.1
115.07540	2.4
119.08567	20.0
121.10131	27.2
121.34949	1.3
123.08092	3.1
123.11697	10.8
125.09624	6.7
125.13261	7.7
129.09102	2.4
131.08592	2.2
133.10121	20.4
135.11662	27.5
137.09598	4.9
137.13235	7.5
139.10135	1.6
139.11142	8.7
139.14781	1.5
141.09033	1.6
143.08488	1.4
143.10655	2.9
145.10130	1.2
147.11678	16.9
149.13257	6.0
151.11153	8.8
151.14796	5.9
153.12720	5.9
155.10617	2.0
157.12267	4.3
159.11720	1.5
161.13257	15.3
163.14767	1.9
165.12721	9.7
169.12262	3.1
171.13800	2.8
175.14799	5.8
179.14311	6.5
183.13751	3.3
189.16388	2.0
191.18001	2.0
193.15935	2.0
193.19495	3.2
197.15430	2.4
217.19505	44.5
235.20554	72.3
253.21602	100.0
271.22647	55.5
271.25635	1.8
511.51697	1.5
541.35126	3.5
559.35754	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	560.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41067	1.3
53.03924	2.1
55.01871	1.3
55.05510	2.9
56.36827	1.4
57.03432	2.2
58.06588	1.8
61.02917	1.7
65.51044	1.4
67.05504	2.7
69.03423	5.2
69.07066	1.5
70.06599	10.0
71.05000	2.0
71.61499	1.6
71.61901	2.0
72.08148	3.7
79.05486	2.8
81.03410	5.2
81.07047	2.9
82.06579	6.0
83.04967	1.6
84.04478	1.8
84.08144	23.2
85.02897	9.7
86.06080	2.8
86.09712	4.7
88.03999	3.9
91.05453	2.1
93.07016	2.5
95.04976	2.1
97.02886	8.8
97.06523	2.2
98.09699	8.0
98.54537	1.4
99.04443	4.4
99.05286	1.4
103.05553	1.5
103.40797	1.5
105.07020	2.3
107.08572	3.6
109.02863	7.3
109.10208	1.7
110.03274	1.5
110.06063	3.3
112.07608	2.3
113.93853	1.4
119.04920	2.2
121.02852	17.6
123.04404	4.2
124.11248	2.5
127.03911	29.3
128.04277	6.6
128.07077	13.7
128.10725	2.2
128.68819	1.3
133.06470	1.7
133.10146	2.3
137.02345	2.0
140.07103	3.4
144.10207	3.3
145.02832	4.5
145.04944	2.1
146.11745	1.4
147.04428	8.0
157.00511	1.6
163.03946	3.6
167.03378	3.4
167.07033	5.8
170.08076	3.1
170.90907	1.3
175.03909	1.7
177.05469	1.9
187.03908	1.6
188.09262	2.1
191.03400	2.0
193.04919	2.6
205.04947	2.3
207.02861	1.9
207.06450	2.3
211.00751	1.5
217.05034	3.7
229.04994	1.9
255.06599	2.8
269.04462	1.7
271.06036	5.0
283.05994	3.6
285.07654	2.1
292.07419	1.9
293.07913	2.4
295.06009	13.8
297.07587	1.8
305.08005	5.0
306.08673	2.0
307.06003	13.1
307.09238	2.8
308.06403	3.3
309.07510	11.1
309.10736	2.1
313.07150	1.8
314.12405	1.8
317.08008	4.8
319.05899	2.6
319.09528	2.6
320.06964	2.6
321.07468	8.8
323.09024	8.5
325.06937	7.4
326.07449	9.1
329.07901	2.3
331.06082	1.7
331.09552	2.2
333.07687	7.2
334.08151	2.3
335.09143	11.4
337.07120	4.7
337.10739	2.0
338.07355	2.7
339.08365	2.1
343.09384	2.1
345.07718	1.9
346.10980	2.7
347.09100	9.0
348.12515	2.5
349.07092	4.2
349.10870	2.2
351.08514	4.0
353.10339	2.4
355.09317	1.6
359.09210	2.8
361.07016	5.8
361.10721	4.4
362.10843	7.2
363.08594	4.7
364.11850	3.8
365.10068	5.8
371.08929	2.1
373.06754	3.0
373.10883	2.3
375.12402	2.4
377.10226	4.0
379.07846	4.2
379.11850	6.0
380.12082	21.0
387.08829	2.1
389.10034	3.9
391.07941	3.0
394.12820	4.8
397.12921	14.7
398.13098	50.0
401.10129	3.3
405.09842	3.1
409.09106	3.3
410.12247	7.6
413.10056	2.0
418.12866	3.4
419.11362	2.2
431.11374	2.0
433.09113	2.0
440.13474	11.8
442.12878	1.9
449.12976	2.1
450.15582	1.6
460.13791	2.4
464.13501	11.6
470.14532	3.3
475.09933	2.9
478.14801	3.7
488.13501	3.2
494.14200	8.6
496.15933	3.2
498.17575	2.5
506.14523	4.3
524.15485	32.6
542.16498	100.0
560.16846	37.3
560.34338	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	559.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47303	1.7
53.03933	3.7
55.05508	32.3
57.03418	3.7
57.07074	5.3
65.03900	2.8
67.05504	67.7
69.06718	4.0
69.07066	55.8
70.66863	2.1
71.04966	4.3
71.08638	2.4
71.63187	1.7
71.63555	2.0
79.05054	2.6
79.05495	34.3
81.07056	100.0
83.04977	5.5
83.08618	37.3
84.19958	1.8
85.06530	4.3
91.05472	27.3
91.48098	1.9
93.07039	37.7
95.04947	6.4
95.08601	76.3
97.06512	9.5
97.10156	27.9
99.08053	5.3
105.07029	27.7
107.08596	28.2
109.06509	3.2
109.10146	39.0
111.08056	7.0
111.11714	12.6
113.09679	2.6
117.07043	3.1
119.08576	19.4
121.10136	44.4
123.08053	3.6
123.11683	14.1
125.09631	4.9
125.13255	4.8
129.06963	2.3
131.08540	7.5
133.10124	22.4
135.11688	37.3
137.09622	2.8
137.13226	6.9
139.11147	6.1
143.08505	2.8
145.06384	2.1
145.10106	8.5
147.11699	20.3
149.13232	8.3
151.11165	6.4
151.14798	5.8
153.12744	5.6
155.08595	2.8
157.10031	2.1
159.11716	3.9
161.13228	13.4
165.12685	4.3
169.10063	2.9
173.13219	2.2
175.14787	6.8
179.14346	3.4
187.14622	2.5
191.18059	3.6
193.15868	2.5
193.19582	2.5
193.67656	2.2
217.19475	36.0
235.20555	51.2
253.21613	39.0
271.22815	11.9
272.12234	2.5
277.21887	2.3
345.96649	2.3
418.19159	2.1
469.40475	20.3
487.41437	68.0
488.99805	2.1
505.35480	3.7
505.42432	46.8
523.43469	7.0
527.37347	4.6
541.35193	5.5
559.37543	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	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.9
55.05507	30.6
57.03437	20.8
65.03932	5.7
67.05500	99.4
69.07072	21.6
69.62833	18.0
69.63258	12.8
72.25005	3.2
77.82521	3.1
79.05053	7.1
79.05491	93.0
81.03434	8.5
81.07054	89.6
83.04978	14.5
83.08611	11.2
85.06538	4.8
91.04887	3.9
91.05475	82.1
93.07041	100.0
95.04973	27.8
95.08605	61.6
97.06528	9.0
97.10165	4.1
98.21651	3.8
103.32153	4.2
105.07046	42.8
107.04947	10.1
107.08592	41.4
109.06494	12.1
109.10158	15.3
111.08099	3.6
115.76385	3.7
117.07034	15.8
119.08569	40.6
121.10120	18.0
123.08049	5.1
123.11697	6.3
128.06261	5.1
129.07008	18.2
131.08562	13.9
133.10152	18.7
135.11674	9.4
143.08530	10.1
145.10114	17.6
147.11678	49.0
149.13300	7.4
159.11713	7.8
161.09665	5.3
161.13269	14.1
171.11673	34.6
173.13286	8.9
189.12802	9.7
207.13802	29.0
246.97891	3.7
250.03331	4.0
261.22171	14.6
281.17477	56.5
327.91385	3.9
335.25793	75.4
541.38953	79.3
561.86420	5.7
562.37238	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	559.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
53.97070	2.5
55.01855	6.2
55.05509	32.8
57.03434	25.4
65.03935	2.6
67.05502	45.3
69.03430	6.6
69.07059	17.3
70.14083	5.6
70.14476	5.9
71.05008	4.1
79.05489	51.4
79.05955	3.0
81.03409	34.4
81.07049	60.1
83.04994	11.2
83.08617	24.0
83.82502	2.3
85.02882	17.5
85.06546	7.0
91.05475	51.5
93.07038	43.5
95.04956	23.2
95.08603	33.9
97.06536	7.9
97.10159	17.5
99.08074	4.5
105.07022	49.0
107.04960	8.2
107.08581	32.7
109.06521	9.4
109.10139	13.7
111.04487	3.0
111.08070	9.1
115.05465	5.8
117.06998	24.8
118.89162	2.3
119.08577	33.6
121.06493	5.9
121.10157	14.9
123.08080	6.9
123.11696	5.9
125.09586	14.2
128.06224	6.0
129.06990	25.2
131.08560	35.5
133.06555	5.2
133.10123	21.3
135.08084	7.4
135.11714	6.6
137.09657	2.7
141.07008	7.9
142.07784	5.7
143.08542	22.4
145.06483	3.9
145.10104	33.7
147.04378	3.1
147.08061	3.2
147.11679	23.1
149.09633	10.7
155.08554	11.0
157.10124	19.6
159.11687	17.8
161.09613	2.8
161.13286	7.3
163.11217	8.8
167.08565	4.5
169.10042	11.0
171.07967	2.8
171.11638	12.7
173.09682	4.3
173.11919	2.7
173.13287	10.3
175.04018	2.8
175.07521	2.6
175.11218	9.5
179.14247	2.8
181.10199	4.6
183.11722	9.3
185.13257	16.2
187.11208	4.5
189.11261	9.1
193.12206	20.9
195.11670	4.8
197.13287	7.6
203.14398	4.8
207.11749	3.1
211.13225	28.1
221.13344	3.9
227.12811	6.7
229.19501	6.0
233.15448	2.7
235.14937	2.6
239.18042	5.8
243.17578	2.9
253.18182	3.2
257.19067	17.8
267.15854	17.2
275.20032	26.9
281.18948	2.5
285.16998	4.5
296.55350	3.1
297.22330	7.2
299.20087	7.7
311.56100	3.0
313.21741	4.3
315.23071	3.6
323.19940	3.3
331.22809	8.1
349.23740	5.9
359.30167	2.6
362.07626	2.9
373.23770	2.9
377.10339	5.1
379.11905	5.9
397.13016	7.2
431.29361	4.9
449.30582	9.8
466.90991	2.4
467.31400	12.1
469.29688	6.6
475.27017	4.0
485.32642	6.8
487.30737	8.2
523.34235	10.5
541.35242	69.2
552.17755	2.4
559.18677	4.5
559.36340	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	559.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
53.84824	3.3
55.01859	5.3
55.05508	23.4
57.03423	17.3
62.74133	3.7
65.03912	5.0
67.05499	52.1
69.03416	4.9
69.07069	24.1
69.07385	4.9
71.05002	6.1
71.30346	4.1
71.62177	6.7
72.08138	6.7
79.05480	50.0
81.03403	8.3
81.07050	100.0
83.04951	9.6
83.08615	17.7
85.02892	8.0
85.06529	6.7
85.07648	8.4
91.04951	5.7
91.05470	57.0
91.98844	3.9
93.07046	34.5
95.04942	14.7
95.08593	43.7
97.06528	11.7
99.08078	9.0
105.07024	68.2
107.04955	5.0
107.08576	31.1
108.08900	3.8
109.06480	8.8
109.10119	9.8
112.43308	3.6
115.05508	4.3
117.07018	33.9
119.08568	62.6
121.02834	3.9
121.06503	4.3
121.10136	32.8
123.08041	6.2
123.11686	28.6
125.09666	4.6
127.07547	6.3
128.06165	5.6
129.06973	14.8
131.08582	34.8
133.06532	4.1
133.10115	16.5
135.08064	7.9
135.11662	10.8
137.13269	4.6
141.06946	5.1
143.08568	10.9
145.10126	58.5
147.11655	81.8
157.10126	15.5
159.11703	43.6
161.09613	4.9
161.13287	7.4
163.11116	9.4
165.12735	28.0
169.10132	7.7
171.11717	10.7
173.13251	15.1
183.11629	9.2
183.13853	6.1
185.13231	12.1
187.11180	5.0
193.12241	4.7
197.13211	5.6
203.14299	4.9
219.17249	3.9
223.29494	4.3
229.19498	5.8
239.17889	18.6
257.18994	53.2
267.15866	45.1
275.20038	35.0
285.16940	30.2
313.21567	7.4
331.22540	19.3
341.06470	7.0
349.23465	6.4
397.12756	9.3
467.31424	4.5
541.35175	18.3
559.17517	9.3
559.36340	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	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01854	4.4
55.05264	1.9
55.05510	26.5
57.03423	3.3
57.07059	4.5
63.09440	1.7
65.03926	2.0
67.05496	46.1
69.03403	2.7
69.07061	11.4
69.95327	10.0
71.04971	2.7
79.05483	33.5
81.03403	2.9
81.07048	42.1
83.04959	6.6
83.08618	15.3
85.06533	2.9
91.04952	3.0
91.05467	32.0
93.07032	38.2
95.04955	7.4
95.08600	24.7
97.02866	4.1
97.06546	3.8
97.10167	18.0
99.00794	6.2
105.07007	26.5
107.04956	7.5
107.08590	23.6
109.02880	6.6
109.06493	2.2
109.10160	14.3
111.04391	2.5
111.08068	4.8
115.05391	2.1
117.06998	9.4
119.08581	20.8
121.06531	4.0
121.10137	16.8
123.08062	2.9
123.11678	4.8
125.09618	10.6
126.27473	1.6
128.06190	1.9
129.06982	5.7
131.08556	14.7
133.09216	3.2
133.10112	31.1
135.08025	3.1
135.11671	11.9
143.08546	8.3
145.10114	15.9
147.07973	3.1
147.11644	9.2
149.09637	2.6
149.13255	4.7
151.11169	3.2
153.09100	2.7
155.08578	4.8
157.10100	9.3
159.01610	2.0
159.11647	10.2
161.09653	11.9
161.13245	5.4
167.08488	2.3
169.10097	4.3
171.08038	2.5
171.11693	5.7
173.13239	7.2
175.11258	2.5
175.14742	2.2
179.10686	4.8
181.12228	2.1
183.11667	4.9
185.13248	4.1
187.11223	2.2
187.14859	2.8
189.09114	5.3
189.11221	6.8
197.13242	2.4
199.14850	3.6
207.10126	2.2
223.14891	2.2
225.11058	10.0
225.16328	1.9
227.12823	4.9
243.21010	3.4
259.20444	2.7
261.22159	7.7
277.21573	2.1
281.13763	8.1
283.15356	2.8
285.22263	3.4
286.23291	2.0
287.23718	6.2
295.05994	3.6
297.22067	3.7
313.21655	2.4
313.27377	2.5
315.23093	11.9
317.24713	2.4
322.07956	1.9
421.30774	6.0
439.32214	4.4
449.30515	9.2
457.33197	2.7
467.31503	13.7
485.32349	12.1
513.35583	16.1
515.37506	3.0
523.34326	3.3
531.36731	15.1
541.35217	49.8
559.36163	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	559.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.4
55.01859	9.1
55.05268	2.4
55.05511	34.6
57.03406	6.9
57.07064	2.5
59.04976	2.4
59.55100	2.4
65.03914	3.0
67.05168	3.5
67.05502	49.7
69.03407	5.7
69.07063	19.0
69.56499	7.6
69.56927	9.4
71.04987	4.7
79.05483	38.6
81.03415	16.6
81.07053	54.7
83.04983	10.3
83.08613	19.3
85.02876	4.4
85.06539	3.5
87.04486	2.4
91.05475	39.4
93.07038	37.9
95.04965	14.1
95.08601	24.5
97.02879	2.7
97.06522	8.7
97.10163	23.8
98.20781	4.5
105.07014	42.6
107.04945	6.2
107.08595	25.6
109.06507	6.9
109.10141	16.9
111.08087	3.2
115.05437	3.8
117.06998	22.1
119.08582	32.4
121.06470	3.9
121.10133	12.9
123.08079	3.7
123.11690	3.0
125.09632	19.1
128.06245	5.0
129.06999	13.8
131.08568	29.7
133.06516	2.8
133.10120	25.0
135.08026	6.2
135.11703	13.0
141.07028	2.3
142.07745	4.0
143.08585	15.8
145.06494	5.0
145.10121	26.0
147.08017	5.2
147.11678	17.8
149.09607	4.7
149.13237	4.7
153.12737	2.8
155.08517	7.9
157.10109	12.9
159.08047	5.0
159.11674	18.8
161.13222	8.9
163.11162	7.5
165.12787	2.6
169.10103	7.9
169.40022	3.0
171.11679	14.1
173.09605	4.0
173.13260	9.1
175.14732	2.2
181.10141	4.0
183.11659	6.7
185.09587	2.4
185.13222	9.6
187.11075	3.7
187.14868	3.8
189.11205	11.1
193.12233	3.2
195.11665	5.7
197.13249	4.9
199.14821	7.6
201.12727	3.2
209.13223	3.2
211.14830	3.8
213.16350	3.5
219.11772	2.5
227.12721	17.5
237.16290	2.8
241.19534	4.1
257.18967	4.1
259.20535	8.7
267.15689	2.9
273.18591	2.5
275.20078	11.4
283.15375	5.8
291.19427	5.1
297.22116	8.9
299.20129	2.8
315.23215	10.8
327.22919	2.9
333.24435	5.2
349.23602	4.8
396.56244	2.3
421.31146	4.7
431.29138	5.2
449.30472	10.6
467.31412	12.4
485.32623	14.4
513.35382	3.2
523.34100	11.0
531.36945	2.9
541.35248	100.0
559.36237	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.2
55.01822	1.0
55.05462	0.6
57.03431	2.2
57.07042	0.6
59.04987	1.9
61.02922	2.1
61.86628	0.3
67.05448	1.1
69.03421	7.3
69.07012	0.5
69.64893	1.7
69.65308	0.8
70.06535	1.0
71.04934	0.9
71.67960	0.3
72.08096	1.1
73.02851	1.3
78.51280	0.3
79.05473	0.6
81.03397	3.5
81.06991	1.1
83.04939	0.7
84.08118	0.6
85.02896	14.2
85.03407	0.8
85.06463	0.4
86.09654	0.7
87.04411	1.0
91.03967	0.4
91.05424	1.2
93.06974	1.2
95.04906	0.6
95.08563	0.9
97.02879	4.9
97.06467	0.8
99.04459	1.7
101.02328	0.5
103.03908	0.4
105.06959	1.2
107.04892	1.3
107.08541	1.3
109.02862	3.4
109.06465	0.6
109.10126	0.4
111.07999	0.4
115.05418	0.3
119.04872	0.8
119.08561	0.7
121.02862	1.7
121.06385	0.4
121.10109	0.5
123.04292	0.3
127.03896	7.6
129.06927	0.3
131.04868	0.7
131.08466	0.5
133.06461	0.4
135.04301	0.5
135.07997	0.3
135.11670	0.5
137.05907	0.6
145.04877	1.1
145.06360	0.3
145.10060	0.4
147.04388	1.5
147.11626	0.8
151.03822	0.5
153.05348	0.3
155.08427	0.3
159.07982	0.5
159.11714	0.3
167.07047	0.6
169.06436	0.7
173.05907	0.4
175.07434	0.4
175.14787	0.4
177.05476	0.3
183.07918	0.5
185.05914	0.4
187.05923	0.5
189.05264	0.3
191.03447	0.5
191.06824	0.5
195.02829	0.3
203.06863	0.4
207.06477	0.4
211.07494	0.6
213.05478	0.5
215.06958	0.4
217.04993	0.4
219.08101	0.4
228.04146	0.5
233.04637	0.4
234.10376	0.4
235.13078	0.5
243.06490	2.9
246.05244	0.4
251.06911	0.4
259.06009	0.3
261.07468	1.0
265.08475	0.9
267.06500	0.4
269.07986	0.5
271.08231	0.5
277.09137	0.4
277.12231	0.9
283.05914	0.5
285.07953	0.4
290.09235	0.7
293.08017	1.3
295.05966	1.4
296.06882	0.4
304.07181	0.9
305.08334	0.6
305.11676	0.9
307.06158	0.7
309.03931	1.5
309.07523	2.9
310.04727	0.6
311.05444	0.8
313.06873	0.5
317.08081	0.5
318.08798	2.1
319.09558	0.5
320.06769	0.5
321.07529	8.7
322.08270	0.4
323.05560	0.4
324.06223	3.2
325.06982	1.3
331.09698	0.5
333.07465	2.6
333.11209	3.1
334.08490	0.7
335.05524	0.6
335.09128	0.7
337.07031	1.8
337.10767	1.0
339.04807	0.9
339.08545	6.2
343.09698	0.5
345.07501	5.9
346.08301	12.4
347.08969	1.7
348.09857	0.6
349.06995	0.7
351.12274	0.6
357.09686	0.6
359.09204	0.7
360.09827	0.9
361.10657	75.9
362.10938	1.1
363.08694	1.1
364.09378	2.6
365.10324	0.5
375.04794	0.5
378.11118	0.5
379.11716	100.0
380.12265	1.0
381.09436	0.4
382.10208	0.9
388.73016	0.3
397.12778	51.9
403.11819	2.7
409.09232	0.5
421.12943	3.1
436.58228	0.4
439.13940	1.2
457.11322	0.5
493.11270	0.5
523.16437	1.5
541.17029	40.9
559.18048	67.8
559.30835	1.9
560.18384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.0
54.15382	0.6
55.01836	1.0
55.05459	2.1
57.03391	3.0
58.21900	0.7
59.04974	0.7
61.02918	3.7
67.05482	3.6
69.03421	17.0
69.07021	2.0
71.04950	1.6
71.29030	1.4
72.08119	1.2
73.02851	2.3
79.05441	2.5
80.46975	0.6
81.03411	7.7
81.07054	4.4
83.04916	1.8
83.08562	1.1
83.68741	0.7
84.45204	0.7
85.02896	26.5
85.06501	1.7
86.09669	0.7
87.00742	0.8
87.04418	2.2
91.05429	3.1
93.07036	4.3
95.04911	2.8
95.08628	3.5
97.02888	10.2
97.06458	2.0
99.04472	3.4
101.02332	0.8
103.03881	1.3
103.05442	0.7
105.01746	0.7
105.06996	3.4
107.04912	1.6
107.08532	2.8
109.02868	6.8
109.06470	2.1
109.10104	1.8
111.08051	1.4
117.03369	1.1
117.06927	0.9
119.08569	3.8
121.06482	1.5
121.10061	2.2
123.04377	3.1
123.08006	1.4
123.11652	1.4
125.05931	0.7
125.09595	0.8
127.03088	0.8
127.03908	12.1
131.04857	1.0
131.08453	0.8
133.02798	0.6
133.10075	2.3
134.03543	2.1
135.07968	1.2
135.11639	0.9
137.05919	2.0
137.09554	0.9
139.03844	1.1
143.08545	1.0
145.04901	3.0
145.10045	2.0
147.04378	3.9
147.11635	2.0
149.02284	1.6
149.05873	1.9
149.09592	0.9
151.03883	1.5
151.07503	1.6
151.11183	0.8
153.01793	1.6
153.05319	0.7
153.09013	0.8
157.10077	1.6
159.08017	0.8
159.11644	1.3
161.06006	1.4
161.13312	1.0
163.03812	0.7
167.07013	1.6
173.09598	0.8
173.13280	0.8
175.03920	0.9
175.07579	1.0
175.11115	0.9
177.05420	1.5
181.06377	0.9
187.05995	1.2
191.03346	0.9
193.12169	1.1
199.07489	1.9
207.06383	0.9
215.06897	1.3
216.04251	0.7
217.12199	1.2
225.05350	0.7
226.06224	1.1
227.06946	2.5
230.05664	2.1
231.06468	0.9
237.05405	1.6
243.06461	1.2
253.14264	1.3
254.05811	1.6
255.06511	1.6
265.04938	1.8
265.08551	1.2
271.05988	22.0
276.07770	1.0
279.06573	0.7
279.09900	0.8
281.07980	0.8
282.05209	13.2
284.06677	1.6
290.09332	0.7
291.10184	1.8
293.08032	1.5
293.21085	1.3
295.06076	1.4
297.04065	1.2
297.07498	21.4
305.07974	0.9
307.09503	3.5
308.10379	1.0
309.07559	1.8
311.05502	1.4
312.06259	20.0
314.07516	0.8
319.09601	2.0
320.10327	0.9
321.04013	0.8
321.07593	3.1
322.08182	0.9
325.06992	2.6
327.08600	88.2
335.08990	3.2
336.09818	3.5
337.10596	1.7
339.08771	1.3
341.06207	0.7
346.08459	3.6
347.09082	1.7
351.08450	3.7
351.12329	7.0
361.10690	1.8
362.11221	0.8
363.08554	1.9
364.09384	27.5
365.09903	1.3
369.09482	2.1
369.13367	14.3
377.10083	1.3
379.11731	100.0
380.12247	1.2
382.09348	0.8
395.11273	1.5
396.11484	1.0
397.12796	94.0
398.13431	1.1
421.12915	2.0
489.14194	1.3
541.17059	28.5
559.18018	19.2
559.32062	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	559.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.1
54.39750	0.2
55.01848	0.8
55.05500	0.5
57.03430	2.6
61.02923	3.0
67.05495	0.5
69.03424	9.2
69.90346	1.2
69.90772	0.4
71.01328	0.6
71.04979	0.7
73.02929	1.6
77.71027	0.3
79.05472	0.5
81.02961	0.3
81.03413	3.3
81.07030	0.5
83.04948	0.3
85.02901	20.2
85.06441	0.2
86.09690	0.3
87.04466	1.5
87.56938	0.3
91.03941	0.5
91.05456	0.9
93.03392	0.3
93.07024	0.4
95.04990	0.5
95.08585	0.4
97.02277	0.4
97.02890	6.3
99.04469	1.3
101.02408	0.6
103.03918	0.9
105.06987	0.4
107.04930	1.2
107.08603	0.3
109.02870	2.3
109.06516	0.3
111.04422	0.3
119.04909	1.2
121.02867	2.9
121.06490	0.4
123.04388	0.4
124.07587	0.3
127.03061	0.5
127.03912	5.5
131.04959	0.6
131.08513	0.4
135.04430	0.4
135.07997	0.3
137.05939	0.3
145.04929	1.8
145.10103	0.5
147.04355	1.0
151.03802	0.3
153.01794	0.5
153.06944	0.4
157.06599	0.3
159.04294	0.4
163.03940	0.6
167.07031	0.6
169.06450	0.4
171.08054	0.3
179.08507	0.3
181.06563	0.4
183.08029	0.5
187.03911	0.5
187.07556	0.4
191.03348	1.6
199.07594	0.5
200.04570	0.5
207.08231	0.4
209.04420	1.1
211.07559	0.9
213.05415	0.6
215.07025	0.3
225.05554	0.5
227.06956	0.3
239.06961	0.8
243.06557	0.6
244.08855	0.6
245.09627	0.3
255.06544	0.6
259.11029	0.4
260.63519	0.3
263.06909	0.3
271.05954	5.9
276.08026	0.4
280.07260	0.3
281.08112	1.4
283.06046	1.5
289.08524	0.6
290.09442	0.3
293.08035	0.6
296.06711	0.5
297.07492	0.3
299.05548	0.3
305.08209	0.4
305.11685	0.4
307.06177	0.4
308.06577	0.4
309.07550	62.8
310.08005	0.7
315.10196	0.4
317.07959	0.4
318.08817	1.1
319.09677	1.0
321.07568	0.6
323.09073	0.5
325.07153	0.9
327.08615	15.5
331.09381	0.4
333.07495	1.1
333.11200	4.2
334.08282	0.8
335.08957	0.4
335.12851	0.4
337.07028	0.7
337.10956	0.5
339.08636	0.4
343.09534	3.0
345.07690	0.5
346.08423	1.9
351.08560	4.8
351.12329	3.4
361.10684	19.2
362.11108	0.3
364.09497	0.8
365.10172	0.4
366.10919	0.8
367.08228	0.3
369.09445	0.7
369.13336	2.0
379.11749	18.0
397.12808	100.0
398.13248	1.1
403.11722	1.3
421.12857	1.6
434.20782	0.3
439.13971	2.4
463.13599	0.4
489.13879	0.6
523.16052	0.3
541.17035	2.7
559.18024	25.0
559.31396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81281	0.2
53.03940	0.5
55.01863	0.3
55.05496	0.4
56.01323	0.2
57.03432	1.0
61.02903	1.0
67.05485	0.8
69.03423	3.4
69.07052	0.4
71.03725	0.2
71.04990	0.4
71.62996	0.4
72.08146	0.3
73.02901	0.9
78.33011	0.2
79.05481	0.9
81.03419	1.6
81.07029	1.2
83.04985	0.4
83.36709	0.2
84.08114	0.3
85.02418	0.4
85.02898	6.0
85.06525	0.2
87.04447	0.7
89.23543	0.2
91.03929	0.4
91.05453	0.9
93.07022	0.9
95.04929	0.2
95.08602	1.3
97.02888	2.2
99.04437	0.8
105.07019	0.6
107.08564	0.9
109.02860	0.9
109.06527	0.4
109.10111	0.5
117.06992	0.3
119.04873	0.4
119.08601	1.0
121.06551	0.3
121.10163	0.5
127.03885	2.1
131.08539	0.3
133.02777	0.3
133.10103	0.5
135.11621	0.3
137.05980	0.6
143.08505	0.3
145.04967	0.5
145.06465	0.3
145.10118	0.4
147.04417	0.3
147.11633	0.5
151.03915	1.1
151.04945	0.2
157.09984	0.4
159.11668	0.3
161.13269	0.4
165.05449	0.5
167.06979	0.3
171.04414	0.2
171.11542	0.3
173.05914	0.5
173.13261	0.3
188.15213	0.2
189.05423	0.5
190.06212	0.7
200.15096	0.2
201.16324	0.2
217.05049	0.4
233.04524	0.3
267.06314	0.2
279.06577	0.2
293.08099	0.4
295.06021	0.5
304.32932	0.2
309.07544	0.2
311.09076	0.3
319.09528	0.5
321.07410	0.9
322.08334	0.5
323.05423	0.3
323.09171	0.2
324.06192	0.7
325.07080	1.1
328.05698	0.7
335.09366	0.3
336.05991	0.3
336.09628	0.4
337.06818	0.6
337.10706	0.6
339.04971	0.3
339.08585	2.4
340.05832	0.5
343.08093	0.8
347.09161	0.3
349.07053	0.7
350.07852	0.9
351.08539	0.8
352.05737	7.0
353.06512	1.5
353.10425	0.5
354.07333	0.5
354.11261	0.3
355.08151	0.7
363.08563	0.4
364.09421	1.1
365.10162	1.6
367.08084	22.2
368.08395	0.5
379.11795	1.7
381.09601	0.4
382.10406	4.9
395.11130	0.4
396.11243	0.4
397.12784	100.0
398.13019	1.9
408.33057	0.3
439.13953	1.1
443.65823	0.2
513.35522	0.2
541.16888	0.3
541.34070	0.5
559.17889	5.8
559.27155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	0.7
55.01833	0.4
57.03431	1.6
59.04961	0.3
61.02919	2.1
65.03900	0.3
67.05450	0.7
69.03425	6.6
69.82912	0.6
69.83327	0.3
70.12110	0.2
71.01327	0.5
71.04947	0.5
73.02914	1.4
79.05453	0.2
81.03410	2.2
81.07013	0.2
83.01301	0.3
85.02898	10.6
87.04459	1.5
91.03906	0.6
91.05417	0.3
95.04918	0.3
96.90868	0.2
97.02882	4.3
99.04441	0.8
101.02337	0.4
105.03381	0.4
107.04872	0.3
109.02877	1.1
115.03925	0.3
117.03397	0.2
121.02761	0.3
123.04438	1.2
127.03911	2.5
128.06281	0.2
129.06969	0.2
131.04961	0.2
135.04338	0.7
137.02325	1.6
143.08546	0.3
145.04906	0.9
147.04352	0.5
149.02287	0.4
153.06914	0.2
155.08482	0.2
157.23058	0.2
159.04369	0.2
161.02292	0.6
163.03865	0.4
165.06880	0.2
167.03401	0.2
167.08551	0.3
169.06432	0.3
171.08018	0.3
173.05975	0.2
175.03810	0.3
177.01787	0.2
179.08517	0.2
185.05922	0.2
185.28357	0.2
191.03354	0.5
195.07933	0.5
199.07497	0.3
203.03326	0.9
209.04381	0.3
210.78424	0.2
213.05522	0.4
216.09352	0.3
217.04883	0.3
223.07591	0.2
227.06938	1.4
229.05029	0.2
231.11577	0.2
235.07439	0.3
239.06934	0.2
244.08994	0.3
245.08023	0.4
249.09036	0.2
251.07210	0.2
253.08615	0.2
259.11191	0.6
262.09766	0.3
263.07175	0.2
267.10162	0.2
271.05881	0.3
272.08450	0.3
277.08548	0.2
277.12228	0.3
279.06281	0.4
281.08109	0.6
287.10760	0.5
289.08707	0.2
290.09335	0.3
291.06387	0.2
293.07947	0.3
295.13351	0.3
296.06747	0.2
297.07642	0.6
299.05469	0.6
305.11688	0.5
307.05939	0.4
309.07584	2.5
312.06058	0.3
313.06958	0.6
315.10168	0.5
317.08139	0.2
318.08887	0.4
319.09750	0.3
321.07684	0.9
321.10693	0.2
322.08304	0.4
323.05420	0.4
323.09030	0.5
323.12610	0.3
324.06183	0.4
325.07037	20.4
326.07718	0.2
333.11212	0.9
335.09082	0.5
336.06244	0.4
336.09866	0.2
337.07034	5.3
337.10724	0.8
339.08459	0.9
341.06818	0.3
343.09659	0.8
345.07410	0.2
346.08450	0.3
347.09097	0.4
349.07004	2.2
350.07709	2.0
351.08517	2.2
351.12335	0.9
355.08090	0.4
361.10699	10.7
363.08655	1.9
364.09399	3.0
369.13794	0.2
378.10907	0.6
379.11734	47.7
380.12259	0.6
381.09500	0.2
382.10150	0.3
395.11371	0.3
396.11661	0.2
397.12793	100.0
398.13214	0.9
421.13031	1.4
433.12955	0.3
439.13873	1.3
440.68796	0.1
541.17108	0.4
559.18054	30.1
560.18396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20422	0.2
51.47425	0.1
53.03928	0.5
55.01863	0.6
55.05505	0.2
57.03429	0.9
61.02923	0.9
67.05491	0.9
68.99792	0.2
69.03072	0.2
69.03429	4.6
69.07066	0.3
71.04981	0.5
73.02901	0.6
74.16391	0.2
76.93166	0.2
79.05483	0.4
80.40868	0.2
81.03404	1.5
81.07063	0.9
85.02901	5.7
85.06554	0.2
87.04452	0.7
91.05490	0.6
93.07039	0.5
93.74760	0.2
95.01366	0.2
95.04960	0.3
95.08624	0.3
97.02876	2.7
99.04443	0.5
100.79305	0.2
105.07025	0.4
107.04940	0.9
107.08594	0.2
109.02863	0.8
109.06511	0.8
115.05460	0.2
119.04958	0.3
119.08586	0.2
121.02882	0.2
121.06492	0.2
121.10149	0.3
123.04432	0.9
127.03921	2.6
128.06218	0.4
129.06935	0.3
131.04887	0.2
131.08563	0.8
133.02826	0.2
134.03647	0.2
135.04398	1.0
137.02356	1.0
143.08624	0.8
145.04948	0.3
147.04439	1.2
147.08092	0.2
149.02341	0.4
149.06003	0.4
149.09602	2.8
151.03879	0.4
155.11725	0.2
159.04382	0.9
159.07990	0.3
161.02399	1.3
161.05977	0.3
163.03923	0.3
165.05547	0.2
171.08058	0.8
173.06052	0.2
175.03909	0.6
175.07541	0.5
175.10982	0.2
177.05513	0.3
177.09094	0.8
179.03503	0.2
180.47137	0.2
183.08096	0.3
185.06023	0.2
187.07454	0.2
189.01947	0.2
189.05475	0.4
191.03375	4.1
193.04977	0.5
195.08060	0.3
197.06006	0.2
199.07610	0.6
201.05527	0.2
201.09073	0.7
202.06264	0.2
203.03380	2.8
203.06992	1.0
205.04938	0.4
209.04420	1.6
213.09067	0.2
216.04103	0.2
216.07684	0.4
217.04985	0.9
217.08597	0.7
219.02873	0.2
221.04471	0.4
224.08446	0.2
227.07004	3.4
229.05009	0.3
229.08568	0.3
230.05724	0.4
234.05289	0.3
239.07135	0.3
241.08560	0.2
243.06557	0.3
245.08070	12.6
253.04930	0.2
259.11194	0.3
261.07349	0.3
263.09018	1.8
267.06458	0.4
271.05713	0.2
272.08453	0.2
277.12659	0.2
279.06418	0.3
281.08032	0.4
281.11597	0.3
283.06113	0.2
285.11655	0.2
287.10696	0.2
290.09515	0.3
291.06723	0.4
291.10086	0.6
293.08194	0.3
295.06024	0.5
297.07669	0.3
299.05502	0.6
304.07077	0.2
305.08426	0.3
305.11719	0.5
307.06036	1.5
309.07608	0.7
309.11127	1.2
311.09119	0.3
313.06985	1.0
315.10214	0.3
317.08188	0.3
318.08984	0.6
319.05945	0.6
319.09695	0.5
321.07568	0.6
323.05307	0.2
323.08942	0.4
323.12750	0.6
325.07043	5.7
331.06039	0.3
332.06744	0.3
333.07428	0.4
333.11224	0.8
335.09000	0.3
336.09824	0.3
337.07019	2.5
337.10751	0.6
339.08612	0.4
343.09747	1.4
345.07590	0.7
346.08279	1.1
347.09012	0.2
349.06955	0.6
350.07742	0.6
351.08594	0.8
351.12320	1.0
355.08243	0.4
361.10666	8.8
362.11169	0.2
363.08533	1.3
364.09467	1.2
378.11221	0.3
379.11743	60.6
380.12238	1.3
382.10114	0.2
397.12793	100.0
398.13141	1.2
421.12799	0.8
439.13477	0.5
503.11484	0.3
514.27545	0.2
541.16962	3.3
559.17999	32.3
560.18201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.5
55.01833	0.4
55.05498	0.4
57.03414	0.5
57.07029	0.2
60.14791	0.2
61.02888	0.8
67.05461	1.0
68.99769	0.3
69.03425	3.8
69.07040	0.6
69.51102	1.6
69.51534	0.6
71.04969	0.6
73.02875	0.6
79.05444	0.7
81.03419	1.3
81.07048	1.7
83.08566	0.3
85.02898	4.4
87.04449	0.4
91.05480	1.2
93.07005	0.9
95.04946	0.4
95.08601	1.2
97.02875	2.0
97.06484	0.4
99.04416	0.5
103.05412	0.9
105.03385	0.3
105.06977	0.9
107.04893	1.0
107.08535	0.8
109.02841	0.9
109.06474	1.0
109.10104	0.9
111.04354	0.3
111.11755	0.2
112.34327	0.3
115.05452	0.2
117.06940	0.6
119.04940	0.6
119.08544	0.5
121.02788	0.3
121.06480	0.5
121.10056	0.6
121.91557	0.2
123.04416	1.5
123.11653	0.6
127.03898	1.7
128.06186	0.7
129.06934	1.0
131.04863	1.0
131.08553	1.8
133.02823	0.4
133.10086	0.6
134.03603	0.7
135.04385	1.1
135.07988	0.4
135.11624	0.3
137.02286	0.8
137.05933	0.6
143.08534	0.6
145.02811	0.2
145.04926	0.3
145.06456	0.7
145.10110	0.4
147.04369	0.9
149.05937	0.5
149.09618	2.9
149.13240	0.3
150.03075	0.6
151.03931	1.1
152.04663	0.4
153.05524	0.2
157.06444	1.0
157.09959	0.3
159.04407	5.6
159.07985	1.0
159.11589	0.3
161.02315	0.7
161.05949	0.4
163.03876	0.6
163.07623	0.2
163.14790	0.2
165.05461	1.6
171.04308	0.3
171.07959	0.6
173.06030	0.3
175.03886	0.5
175.07489	0.6
175.20187	0.2
177.05476	0.6
177.09071	0.8
185.05916	0.8
186.06700	0.5
187.06038	0.3
187.07527	4.7
189.05464	1.8
189.09047	0.3
191.03343	1.5
199.07462	0.4
201.09070	0.4
203.03342	2.3
203.06979	1.5
205.04887	0.3
209.04395	0.5
213.05447	19.0
215.06905	0.4
217.04890	0.7
217.08464	0.5
221.04376	0.7
227.07002	2.3
229.04927	0.4
230.05560	0.3
231.06477	1.0
243.06456	0.3
245.08066	11.6
253.04794	0.3
261.07431	0.3
263.09073	2.2
265.08640	0.2
271.06067	1.3
279.10089	0.2
289.08530	0.9
290.09323	0.9
291.09933	0.3
293.08044	0.4
293.28299	0.4
295.05948	0.4
295.12848	0.2
305.11490	0.2
307.05948	0.8
307.09515	0.9
309.11255	0.4
310.04733	1.9
313.07098	0.5
317.07986	0.6
318.08890	1.8
319.09567	0.4
321.07483	1.1
322.04590	0.6
322.08105	0.5
323.08572	0.3
325.07053	4.1
332.06262	0.3
333.11356	1.1
335.05646	0.3
335.09085	0.9
336.06161	0.4
336.09863	0.9
337.07047	1.0
337.10779	0.7
343.09668	1.5
345.07629	0.6
346.08316	9.6
347.08945	0.5
348.06445	0.4
349.07010	1.0
351.08505	0.5
351.12326	0.3
361.10657	15.0
362.11063	0.2
363.08658	1.2
364.09390	12.5
365.10019	0.4
379.11722	100.0
380.11993	1.0
397.12793	30.6
421.12582	0.7
541.16998	65.7
542.17218	0.7
549.70050	0.3
559.18048	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01853	0.4
55.05499	0.4
57.03416	0.3
60.46867	0.2
61.02905	0.5
65.03937	0.3
67.05468	0.7
68.99808	0.2
69.03423	1.9
69.07043	0.6
71.04967	0.4
71.61684	0.4
72.94411	0.2
73.02890	0.5
79.05458	0.7
81.03412	0.9
81.07018	0.7
83.04977	0.2
83.08610	0.3
85.02905	2.7
91.05451	0.6
93.03371	0.2
93.07021	0.6
95.04937	0.4
95.08572	0.7
97.02875	1.1
98.06023	0.3
99.04447	0.5
105.07008	0.6
107.04980	0.4
107.08549	0.7
109.02860	1.1
109.06498	0.3
111.04386	0.3
112.07571	0.4
112.47868	0.2
115.05490	0.2
119.08570	0.4
121.02853	0.3
121.10126	0.3
123.04410	0.8
127.03916	2.2
131.08548	0.3
133.02841	0.5
133.10106	0.3
134.03619	0.3
135.04390	0.6
135.11694	0.4
137.02324	0.7
137.06006	0.3
139.03909	0.2
140.36887	0.2
145.10085	0.5
147.04364	0.5
147.07957	0.2
149.05945	0.4
151.03891	1.2
153.05392	0.3
157.06410	0.2
159.11647	0.2
161.02292	0.3
163.03900	0.2
165.07002	0.4
167.06964	0.2
168.04117	0.3
175.03860	0.4
179.03397	1.6
182.78508	0.2
189.16444	0.2
191.03300	0.2
198.13629	0.2
201.05586	0.3
203.03375	0.5
205.04987	0.2
205.08456	0.2
207.02863	0.5
207.06635	0.2
210.06723	0.3
211.07524	0.5
213.05402	0.5
215.07014	0.2
221.06023	0.3
227.07010	0.5
228.07837	0.4
233.08095	1.4
235.06009	0.3
239.07104	0.6
241.04889	0.5
249.03734	0.9
255.06525	0.7
256.07401	0.4
257.08035	0.3
266.05670	0.2
267.06479	1.2
270.05194	0.4
271.06000	0.3
283.05960	3.0
284.06772	6.5
284.09967	0.4
285.07562	0.7
295.05881	1.8
296.06787	0.6
297.04193	0.2
298.04587	0.8
307.05975	0.3
309.07480	0.8
311.05444	1.8
312.06256	10.1
313.07034	9.7
323.05508	1.4
325.06973	2.1
327.08151	0.2
337.06998	0.7
337.10675	0.5
340.05682	0.5
341.06528	100.0
342.06976	0.6
343.08267	0.2
349.10803	0.3
351.08514	0.3
351.12329	0.4
361.10745	1.5
364.09375	0.3
379.11703	6.3
382.10223	0.3
383.07214	0.3
395.11172	0.4
396.11652	0.5
397.12790	19.4
412.14722	0.4
413.14935	0.3
462.09897	0.2
503.11804	55.9
504.11728	0.4
541.16687	0.6
559.17932	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	557.2987
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.95781	2.0
55.05500	8.5
55.62814	1.9
57.03436	4.3
57.07071	50.9
67.05502	20.5
69.07065	8.7
69.32510	19.7
71.08628	36.5
75.04487	3.6
79.05493	4.7
81.03421	2.7
81.07047	25.5
83.04980	2.8
83.08628	12.2
83.09029	2.0
85.06519	1.7
85.10173	21.5
90.36969	1.8
91.05462	2.0
93.07046	4.0
95.08597	37.5
97.02914	2.5
97.10168	8.0
105.07042	3.7
107.08603	3.1
109.02853	2.5
109.10149	17.5
111.11737	4.0
117.07011	2.9
120.47260	1.8
121.10143	1.9
123.11691	6.5
125.13215	1.8
131.08543	3.3
135.11722	2.1
137.13274	2.2
145.10146	2.0
147.47034	2.1
159.11711	1.9
171.11674	1.9
174.08234	1.8
204.70827	1.9
221.22585	1.8
239.23688	41.7
257.24738	5.3
313.27341	100.0
331.28229	2.5
376.44122	2.0
538.21063	1.8
556.52850	3.0
557.37726	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	557.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74295	2.7
53.03941	5.9
55.05501	22.1
57.03426	6.5
63.91711	2.4
67.05502	30.2
69.03436	6.6
69.07064	23.6
70.42667	8.5
70.43047	5.8
73.02916	3.6
79.05489	31.6
81.03436	4.1
81.07051	56.8
83.04948	3.5
83.08598	15.4
85.02902	11.2
85.06538	4.9
91.05470	40.5
93.07039	55.1
95.04957	10.0
95.08600	81.8
95.88565	3.1
97.02878	5.8
97.06567	5.2
97.10157	8.0
103.05473	4.4
105.07030	67.7
107.04957	5.1
107.08583	71.3
109.02867	3.3
109.06503	8.7
109.10143	50.9
111.08062	4.7
115.05453	3.6
117.06978	17.4
119.04942	5.2
119.08569	75.7
120.08848	2.7
121.06495	3.3
121.10137	45.6
123.04417	5.6
123.08011	3.6
123.11681	24.2
125.05968	4.2
127.03909	9.1
128.06148	5.6
129.07011	10.5
131.08562	34.8
133.06581	3.4
133.10112	54.3
135.04385	3.5
135.08046	3.3
135.11684	36.7
137.05975	4.4
137.13245	4.8
139.07484	4.4
142.07779	10.6
143.08560	31.9
144.09306	5.6
145.06491	3.4
145.10117	61.7
147.04413	11.0
147.08078	2.8
147.11674	46.2
148.04729	3.4
149.05968	10.1
149.13258	16.3
151.11179	3.6
151.14857	3.0
155.08551	6.9
156.09366	7.0
157.10129	42.0
158.10883	3.6
159.08089	3.2
159.11690	64.2
161.13254	46.4
163.07552	6.5
163.11189	4.0
163.14822	10.9
167.07053	4.4
167.08472	2.8
169.10129	8.9
170.10889	9.6
171.11693	35.1
173.09671	4.3
173.13260	25.2
175.14812	18.5
177.05457	6.0
177.16409	9.5
179.14265	3.7
183.11678	11.2
185.13237	46.2
187.11157	5.7
187.14803	47.1
189.09111	11.3
189.12752	3.6
189.16359	41.8
191.10701	13.5
191.17957	33.3
197.13181	13.4
199.11090	4.4
199.14807	48.2
201.16382	30.8
203.10635	7.2
203.14427	3.1
203.17941	50.5
205.12233	22.4
205.19385	3.9
207.13675	3.7
207.17418	17.3
211.14703	5.0
213.16423	9.7
215.10690	5.2
215.17924	10.0
217.08705	3.8
217.12259	13.5
217.19437	5.6
219.13776	6.6
221.18867	3.3
224.51134	2.7
225.16489	5.1
227.14209	4.1
227.17992	12.4
229.19548	10.3
231.13773	16.8
231.20961	6.9
233.15395	12.5
239.18002	9.2
241.08969	3.1
241.19542	3.1
243.13750	3.9
243.21149	7.7
245.15350	49.9
247.16792	4.4
253.19609	9.6
255.21138	6.4
267.21054	9.3
273.18488	4.1
285.18582	4.7
299.19998	3.9
303.15961	5.8
309.13046	4.0
310.04559	3.9
321.13373	7.6
323.05524	12.6
324.06189	3.5
325.07089	8.6
339.08621	6.9
349.16479	19.5
359.09174	2.9
362.07718	4.9
377.10260	28.6
378.10425	3.4
380.08905	26.3
389.32135	14.0
390.31726	3.1
393.13339	10.8
395.11209	100.0
396.11639	8.7
407.33072	81.2
411.14316	10.5
435.32568	30.9
453.33694	11.6
493.32846	5.5
511.34283	25.6
539.33594	58.4
540.34375	13.4
557.16260	79.1
557.34808	17.1
558.16760	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	557.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14692	0.4
55.01861	0.7
55.02993	3.8
55.05506	3.2
56.55008	0.4
60.05646	1.4
67.05504	1.3
68.05016	0.6
69.03428	1.2
69.07056	1.1
70.06592	3.0
71.01357	3.0
71.05000	0.6
71.26295	0.8
72.08150	22.7
79.05481	0.9
80.01380	0.6
81.03404	0.8
81.07041	2.7
82.02947	1.3
84.04501	0.8
84.08159	1.7
85.02906	1.3
85.06548	0.9
86.06067	0.6
86.09715	1.4
87.07986	0.5
89.02388	3.9
89.10794	1.0
91.05465	2.1
93.07051	1.3
95.05000	0.9
95.08612	1.6
97.02879	2.6
97.06599	1.0
97.07645	20.0
98.02412	3.4
98.06043	3.0
99.00817	1.4
105.07026	1.2
107.04958	4.4
107.08585	1.0
109.02882	0.7
109.06433	0.5
109.10156	2.0
110.02393	41.5
110.07144	0.5
111.04415	0.4
111.08102	1.3
111.81609	0.4
114.10283	10.2
114.12797	0.7
115.08701	2.3
117.07018	0.4
119.04942	3.3
119.08591	0.7
121.02849	0.9
121.06454	0.5
121.10170	1.4
122.06033	0.5
123.08061	0.4
123.11710	0.7
124.05072	0.5
124.07623	0.9
127.03928	3.9
128.03441	0.9
128.07135	0.6
131.04907	0.5
131.12904	1.8
133.06512	0.5
133.10127	0.5
134.44551	0.4
135.04582	0.4
136.07637	0.4
137.02266	0.5
137.05983	0.7
138.05446	0.5
140.04564	0.4
140.07092	0.9
140.08165	0.8
144.05638	0.6
145.02835	0.5
145.06439	0.6
146.06073	0.5
147.04393	19.1
147.11710	0.8
148.04793	1.8
151.08720	1.1
151.11084	0.5
152.07053	46.5
157.10759	0.4
159.11743	0.5
161.05977	1.0
163.03926	0.8
166.09816	1.8
169.09738	3.1
170.08118	2.9
173.06009	0.7
177.05472	0.7
183.11319	0.4
194.09238	32.3
195.07915	0.6
209.09612	0.9
211.07437	0.5
211.11989	2.5
211.14252	0.5
212.08360	2.0
212.10220	0.5
213.09137	0.6
217.04874	0.5
217.13353	1.0
218.11819	1.4
219.08144	0.5
223.07526	1.1
225.95612	0.4
235.27277	0.4
237.09125	2.5
247.07629	0.6
260.14047	1.1
265.08557	2.6
267.10236	0.7
273.11978	0.6
277.16605	2.8
286.09232	1.4
287.23831	0.5
292.09790	1.2
293.08066	2.6
305.24875	0.8
323.25854	1.5
328.12335	0.4
341.26865	0.8
344.21417	0.4
356.23022	0.4
363.17197	1.0
364.15555	1.5
395.13461	1.2
406.17676	1.3
423.20456	1.4
441.21277	7.3
539.21399	0.6
540.20313	0.9
557.22491	100.0
558.23248	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	557.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.2
55.02987	3.0
55.05505	2.8
57.03416	0.5
58.59378	0.4
60.05651	4.2
61.02897	0.6
63.29106	0.5
65.73306	0.5
67.05492	1.3
69.03429	1.3
69.07061	0.9
69.85609	2.1
69.86025	1.2
70.02936	0.7
70.06586	6.1
71.01355	3.3
71.04984	1.4
72.08151	38.3
73.08492	0.6
74.06064	0.5
79.05476	1.1
81.03402	0.9
81.07051	1.9
82.06563	1.1
83.04982	0.7
84.04508	0.7
84.08111	1.0
85.02905	3.1
85.06535	1.2
86.09712	0.9
89.02374	3.4
89.10783	1.3
91.05464	3.4
93.07024	2.0
95.04980	0.6
95.08578	1.8
97.02876	1.8
97.06549	1.3
97.07648	19.2
98.02424	2.7
98.06048	2.1
99.00822	1.2
99.04488	0.5
103.65952	0.5
105.07035	1.5
107.04973	2.4
107.08601	2.3
109.02884	1.0
109.10102	0.6
110.02397	21.2
110.07117	0.5
111.08090	2.3
114.10284	53.6
115.08687	3.8
116.07066	0.9
119.04934	8.3
119.08572	1.4
121.06496	0.6
121.10122	2.5
122.06069	0.8
123.04407	0.6
123.11688	1.1
124.07586	0.6
127.03900	3.2
129.10306	0.6
131.12917	6.3
136.07591	0.7
137.06007	0.8
140.04559	1.1
140.07066	0.7
145.04955	0.7
145.06491	0.7
145.10153	0.7
147.04401	64.2
147.11700	0.8
148.04768	3.8
149.05952	0.7
149.13286	1.0
151.08669	0.6
151.11192	0.5
152.07059	25.2
152.08078	0.9
163.03899	0.6
166.08560	0.5
167.07013	4.1
169.09740	1.8
169.12253	0.5
170.08083	1.3
173.05925	0.5
175.42075	0.6
176.10747	0.5
177.05487	1.2
178.08569	0.5
187.03871	0.6
189.05261	0.5
189.16452	0.6
194.09235	17.9
209.08061	1.0
211.11827	4.0
212.08318	1.6
213.09074	0.5
217.13356	4.4
218.11720	5.2
219.08080	0.8
223.07629	0.5
225.12463	0.6
227.09178	1.2
227.27975	0.5
235.14456	1.1
237.09122	0.6
237.18465	1.1
247.07527	0.8
251.17369	0.6
255.19627	0.8
259.15677	0.7
260.13907	4.6
265.08563	1.2
277.16571	17.3
278.36865	0.5
287.23822	0.9
293.08072	1.1
305.24768	1.2
323.25845	3.1
341.26782	2.3
352.67749	0.6
355.33600	0.5
364.15790	0.5
381.17206	0.6
406.17538	1.6
423.20251	22.4
441.21286	8.9
557.22333	100.0
558.22656	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	557.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.02987	0.3
55.05489	0.8
58.06594	0.3
60.05632	0.9
65.03928	0.7
67.05483	0.2
69.03415	0.6
69.07070	0.3
69.67106	0.8
69.67531	0.8
70.06589	1.2
71.04982	0.3
72.08151	12.3
72.65417	0.2
73.80021	0.2
81.03410	0.7
84.08131	1.5
85.02892	1.3
86.09695	1.1
87.09356	0.2
89.10793	0.6
91.05477	5.6
95.04985	0.3
96.04514	0.2
97.02865	1.1
97.06544	0.4
97.07652	3.6
98.02416	0.4
98.06023	1.1
98.09702	0.4
98.14376	0.3
98.20767	0.5
99.04294	0.2
101.06020	0.3
106.06509	0.2
107.04959	0.6
107.08578	0.3
109.02912	0.3
110.02420	2.1
114.10284	16.1
114.12800	1.4
115.08695	3.1
119.04935	17.6
120.08086	0.2
122.06052	0.2
127.03935	1.2
128.10724	0.3
131.12881	1.3
131.15491	0.3
137.05908	0.3
138.05435	0.3
145.04941	0.3
145.06363	0.2
147.04399	100.0
148.04785	1.3
152.07076	3.5
161.06030	0.4
163.03854	0.4
164.07053	0.2
167.07013	0.3
169.09726	0.5
175.07524	0.3
177.05453	0.4
180.10080	0.4
181.80994	0.3
194.09242	2.1
211.11925	0.7
212.08420	0.2
217.13342	4.1
218.11757	8.7
218.13850	0.5
235.14365	0.6
249.75502	0.2
260.13910	5.2
277.16559	3.6
277.19189	0.3
290.15952	0.7
293.08090	0.3
309.10617	0.2
406.17749	0.4
423.20010	1.2
441.21191	4.6
457.16867	0.3
515.20032	0.3
539.21191	0.4
540.19659	0.6
557.22375	64.6
558.22681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.165
Annotation	Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
Peak:m/z	Relative Intensity
55.01830	0.3
61.26015	0.2
67.05457	0.3
69.03368	0.9
69.07037	0.3
71.63367	0.4
74.90864	0.3
79.05454	0.5
81.03385	0.6
81.06993	0.7
83.04964	0.6
85.02861	0.7
85.06525	0.3
91.05435	0.5
93.06992	0.5
95.04925	0.6
95.08562	0.6
97.02836	0.6
99.04393	0.4
105.06953	0.8
107.04903	0.2
107.08512	0.4
109.02802	0.6
109.06489	0.5
109.10130	0.4
119.04934	0.3
119.08543	0.5
121.02821	0.2
121.06448	0.3
121.10095	0.4
122.46783	0.3
123.04350	0.5
125.05900	0.4
127.03842	0.8
131.04846	0.3
131.08554	0.3
133.10098	0.3
137.05905	0.4
145.10030	0.7
147.04367	0.7
149.05855	0.3
151.03819	0.4
159.11604	0.5
161.05934	0.3
163.11136	0.5
167.06952	0.4
172.05217	0.3
173.05939	0.4
173.09560	0.4
177.05432	0.3
191.10579	0.3
193.08568	0.3
200.04654	0.3
201.05377	0.3
202.06181	0.3
213.05399	0.5
215.03368	0.9
215.07089	0.3
215.10561	0.4
219.06480	0.4
225.05429	0.4
228.04108	0.5
229.04875	1.4
231.06450	1.7
233.11597	0.4
243.06374	0.4
246.05135	0.7
249.07497	0.8
251.06808	0.3
255.06503	0.5
263.06943	0.6
265.08594	0.7
271.05942	1.4
275.07077	0.3
277.08582	1.1
278.09283	0.8
279.06403	0.7
281.08133	0.9
283.05899	0.3
289.08572	0.4
291.06360	0.9
292.07202	0.3
293.07928	1.4
295.06161	0.3
295.09613	0.3
305.08069	2.2
306.08810	1.0
307.06061	0.3
307.09473	0.4
313.07190	0.3
319.05890	0.7
320.06833	0.3
321.07513	3.0
323.05521	0.5
323.08762	0.5
333.07526	2.3
334.08240	1.5
337.06888	0.5
345.07376	0.3
349.07010	7.2
350.07532	0.5
351.08603	0.5
352.09354	3.8
361.06946	0.9
362.07791	12.7
363.08536	1.2
364.09393	2.9
377.10159	7.4
379.08075	0.6
380.08853	52.8
381.09448	1.2
393.09784	0.8
394.10373	0.3
395.11212	100.0
396.11563	2.4
557.16467	96.0
558.16943	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	556.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.3
53.03943	0.5
70.05281	1.1
77.03925	0.4
79.05489	3.8
79.74512	0.2
81.07083	0.2
85.70205	0.2
87.04462	1.1
89.05471	0.3
89.06019	5.2
91.05487	0.6
93.07047	1.4
95.04959	2.0
98.21422	0.3
103.05453	3.1
105.07021	100.0
106.07348	0.7
107.07048	0.2
107.08599	0.2
121.06493	8.2
129.06996	0.3
131.08566	0.5
133.08591	3.2
139.07542	0.4
147.08034	0.5
165.09103	4.0
181.09885	0.2
184.43414	0.2
209.11479	0.4
209.13258	3.3
223.11113	0.2
227.12759	31.1
251.14243	1.1
280.32626	0.2
292.58322	0.2
327.17380	0.8
329.18280	0.2
331.19006	10.2
433.23724	0.6
435.25494	1.3
556.33966	0.5
556.52740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03938	0.8
61.26253	0.2
69.31403	1.6
69.31806	0.5
77.03942	0.5
79.05486	3.9
87.04476	0.9
89.06023	6.2
89.06554	0.4
91.05449	1.0
92.56651	0.2
93.07041	1.8
95.04977	2.3
103.05458	3.8
105.07024	100.0
106.07392	0.2
121.06493	8.9
131.08566	0.4
133.08594	2.7
139.07523	0.7
139.20197	0.2
147.08064	0.4
157.21471	0.2
163.11166	0.2
165.04472	0.2
165.09099	4.2
195.53568	0.2
197.09642	0.2
197.22162	0.2
209.11476	0.4
209.13258	3.8
223.11189	0.4
225.12762	0.2
227.12762	38.1
235.13300	0.2
251.14299	0.8
300.29285	0.2
327.17325	0.8
329.18213	0.2
331.19012	11.7
433.23639	0.4
435.24966	0.7
484.26443	0.2
509.25427	0.2
556.52655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.2
53.03951	0.2
58.52409	0.2
59.85452	0.2
61.69644	0.2
69.03430	0.5
70.06599	0.6
72.08151	1.0
79.05495	0.6
84.04478	0.2
85.02902	0.8
85.27741	0.2
91.05479	0.7
93.07045	1.4
95.04964	0.4
96.08113	0.5
97.02877	0.6
98.06019	0.4
98.09691	2.5
99.10020	0.8
103.05457	5.4
107.04952	1.6
120.08094	100.0
121.06470	0.3
121.08425	0.9
123.80280	0.2
124.11235	0.8
131.04906	2.3
132.04428	0.8
133.04797	0.3
136.07593	0.4
140.07059	0.7
146.06042	0.4
147.04425	1.1
149.05974	2.2
154.06229	0.2
158.06030	0.5
166.08624	55.5
167.07047	2.8
167.08934	0.7
181.08574	1.1
211.09622	4.2
217.22203	0.3
218.11670	0.3
237.02756	0.3
237.08896	0.3
261.15985	2.5
262.16342	3.2
328.17355	0.2
355.14951	0.3
357.06201	0.2
423.20706	1.1
424.15759	0.4
424.21518	4.6
556.25031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42051	0.4
51.03831	0.4
53.00312	0.5
53.03922	0.8
55.05510	3.4
56.95757	0.5
57.03434	6.4
57.07071	28.1
57.99113	0.4
59.04971	0.5
67.05162	0.9
67.05497	10.8
69.03429	0.7
69.07058	6.6
69.39201	1.9
69.39639	2.4
71.04976	0.8
71.08627	22.5
79.05473	0.8
81.03414	8.2
81.07049	14.2
83.08620	9.2
85.02903	0.7
85.06496	0.7
85.10173	10.6
93.07054	0.8
95.08600	20.0
95.92018	0.4
97.10164	4.2
98.20776	1.0
98.98458	72.3
99.04430	1.8
99.11701	1.0
101.89013	0.5
105.07008	1.0
107.56531	0.5
109.02870	5.6
109.09443	0.8
109.10143	8.8
111.11717	0.7
116.99499	3.3
123.11696	3.9
125.13281	0.5
127.03897	0.7
137.13216	1.7
139.14848	0.8
140.01082	1.8
145.05034	0.5
155.01027	100.0
173.02107	0.9
196.03696	1.6
206.81902	0.5
239.23672	12.7
243.02702	1.2
299.05124	0.9
313.27338	76.9
314.27649	1.6
317.06277	9.9
383.28168	2.2
393.23975	8.5
401.28922	6.5
425.16061	1.0
426.17145	0.6
439.14084	1.5
441.19254	3.2
453.15543	2.7
454.15610	0.9
468.17862	0.8
537.28204	3.8
555.22284	11.2
555.29456	0.7
555.36224	0.7
556.22235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42800	0.3
50.58731	0.2
50.97918	0.3
53.03927	0.4
55.01862	0.5
55.05512	0.6
61.02905	0.2
65.03938	0.8
67.05489	0.5
69.03429	2.6
69.07056	0.3
69.53918	1.8
70.01351	0.2
70.06587	3.0
71.04985	0.3
72.08158	3.0
72.89711	0.3
73.02893	0.3
75.11883	0.3
79.05479	0.7
81.03423	2.2
81.07044	1.1
83.04968	0.4
84.04472	0.5
84.08125	1.2
85.02908	2.3
85.06528	0.6
86.06065	4.3
86.09691	0.8
87.04444	0.9
91.05474	7.6
93.07056	0.6
95.04967	1.5
95.08594	0.8
97.02892	1.9
97.06512	0.7
98.06017	0.4
98.09697	0.9
99.04424	0.4
104.07056	0.3
105.07039	0.8
107.04962	2.0
107.05579	0.4
107.08589	0.5
109.02863	2.2
109.10160	0.7
110.02432	0.3
110.06110	0.4
110.07144	0.4
112.07565	0.4
113.05975	0.3
114.10289	0.4
115.08700	0.3
116.07149	0.4
117.06981	0.4
119.04937	21.0
119.08575	0.3
121.02862	1.2
121.06548	0.4
123.04424	0.4
123.08039	0.3
126.09237	0.4
127.03892	4.2
128.07072	0.7
129.05455	0.3
130.04996	0.8
131.04906	0.6
133.06451	0.7
133.10147	0.5
134.05928	0.3
135.04414	1.0
136.07587	0.6
137.05997	1.5
138.05455	0.4
138.19382	0.3
140.07048	0.8
141.06984	0.4
145.06454	0.4
147.04402	100.0
148.04730	1.4
149.06010	0.5
151.03893	0.3
152.07095	0.7
153.09148	0.3
157.06497	0.3
159.04364	0.3
161.05960	0.8
163.03952	0.3
164.07057	0.3
165.07039	0.4
167.07025	1.0
169.06358	0.4
173.05983	1.4
175.03880	0.5
175.07518	0.7
176.11249	0.2
177.05423	1.0
181.06471	0.4
182.08206	0.3
183.08060	0.7
185.05930	0.5
187.07445	0.3
191.03389	1.1
192.06084	0.3
193.08612	0.5
194.08229	0.3
207.06541	0.9
209.08072	0.4
211.07535	2.0
212.09203	0.7
218.11812	0.6
227.06967	0.4
229.08580	4.3
230.10362	1.3
232.09660	0.9
237.05505	0.4
248.11336	1.7
250.10742	3.4
255.06532	5.2
256.15475	0.3
256.65765	0.8
260.99255	0.3
265.72183	0.3
273.07651	0.9
291.08591	0.5
292.11972	0.3
309.09595	0.9
340.11768	0.8
358.12823	5.1
367.63068	0.3
374.14554	0.5
376.13919	2.0
394.06824	0.3
394.15033	3.4
412.22794	0.5
450.36972	0.4
520.18536	0.4
556.21674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84491	1.4
55.05500	3.5
57.03434	3.6
69.03423	5.1
70.06587	5.9
71.42252	1.7
71.42583	2.0
72.08150	27.8
73.39747	1.4
82.06609	1.8
83.07355	4.4
84.08135	3.1
85.02897	5.2
86.09731	1.6
87.04478	1.6
89.10788	3.2
90.51463	1.5
91.05482	4.3
95.01324	3.4
96.08124	6.8
97.02912	4.1
98.06049	12.4
98.09689	54.5
107.04973	3.1
114.10293	2.5
115.08668	12.6
119.04928	4.8
121.02840	2.4
124.11235	14.1
127.03965	1.7
132.04442	20.0
134.02461	1.5
136.07535	1.5
141.01871	2.0
146.06033	7.5
147.04416	37.5
148.04819	2.5
152.06972	2.1
157.85524	1.5
158.05992	11.4
160.07686	2.0
164.07153	2.2
176.10684	2.4
177.05458	3.0
200.10745	6.0
201.09105	1.5
218.11836	8.8
222.20078	1.5
235.14401	4.8
243.14954	8.5
256.15555	3.1
256.65823	2.9
261.15973	91.7
262.16602	1.8
273.52423	1.6
423.21249	100.0
457.19592	6.2
469.28073	3.3
475.20947	4.7
493.21902	5.3
537.20551	3.1
555.22046	13.3
555.32135	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	555.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.3
54.62473	0.2
55.01810	0.2
57.03377	0.3
57.03616	0.2
61.02856	0.4
67.05428	0.2
69.03329	1.3
69.06979	0.2
69.42325	1.7
71.04905	0.3
73.02845	0.3
79.05394	0.2
81.03295	0.7
81.06953	0.6
83.04910	0.2
85.02794	3.3
85.03355	0.3
87.04403	0.2
91.03831	0.2
91.05366	0.3
93.06946	0.4
95.08518	0.3
97.02780	1.3
99.04341	0.3
105.06961	0.4
106.04076	0.2
107.08514	0.4
109.02883	0.8
109.10061	0.4
117.03254	0.3
119.08493	0.3
121.06425	0.3
121.10023	0.3
121.18538	0.2
123.04340	0.5
127.03912	0.8
133.10057	0.2
134.03625	1.6
137.05800	0.2
137.09479	0.2
145.04863	0.3
145.10043	0.2
147.04410	0.4
147.11636	0.2
149.05869	0.3
161.02258	0.3
165.06828	0.2
167.06937	0.4
175.82870	0.2
185.05807	0.2
189.01695	0.5
189.09129	0.2
207.02904	1.1
221.05896	0.2
237.05499	0.4
238.06259	0.4
249.05324	0.4
265.04935	3.2
266.05646	1.1
271.06122	0.2
277.04974	0.4
293.04492	1.1
294.05249	3.4
294.08429	0.1
305.04330	0.4
321.03903	0.9
322.04706	36.1
323.05017	0.5
325.07074	0.6
333.11118	0.2
335.05405	0.3
337.07037	100.0
338.07419	1.2
339.08975	0.2
346.08264	0.3
347.08829	0.2
361.10623	0.7
364.09515	0.4
379.07889	0.7
379.11996	1.6
393.13287	9.9
499.12344	24.5
500.12784	0.5
555.18835	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	555.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01835	0.4
57.03392	0.6
61.02878	0.7
67.05463	0.4
69.03423	2.1
69.07039	0.3
70.06541	0.3
71.04968	0.3
71.62938	0.3
73.02882	0.5
79.05465	0.4
81.03365	0.8
81.07021	0.5
83.04944	0.3
85.02893	3.8
87.04423	0.5
89.03887	0.3
91.05457	0.5
93.06989	0.4
95.08561	0.3
97.02854	1.6
99.04396	0.4
105.06988	0.4
106.04118	0.4
107.08564	0.3
109.02812	0.6
109.10105	0.3
117.03311	0.4
121.10085	0.5
126.01351	0.2
127.03835	1.0
134.02634	0.4
134.03613	5.9
137.05934	0.4
137.27344	0.2
139.97778	0.2
145.04942	0.3
147.04393	0.4
147.11589	0.3
153.01743	0.3
161.34811	0.2
165.06944	0.4
167.07047	1.1
178.02553	0.3
179.03334	0.9
181.06277	0.2
189.01723	0.4
193.06479	0.3
206.02017	1.6
207.02867	0.4
210.06757	0.5
221.06032	1.1
227.06796	0.2
237.05487	0.4
238.06244	1.2
240.04170	0.4
249.05370	1.0
265.05017	1.0
266.05670	1.9
277.04919	3.3
277.07758	0.4
281.07999	0.4
289.04910	0.3
291.06638	0.3
293.04395	0.4
294.05261	1.1
302.79443	0.2
304.03735	0.3
305.04398	6.1
306.05136	0.3
307.06033	0.5
309.07709	1.1
310.04587	0.2
319.05984	0.7
321.03854	2.6
321.07529	0.6
322.04675	23.1
325.06982	0.4
335.05463	0.9
337.07004	100.0
338.07434	1.4
339.08411	0.4
361.07190	0.4
378.10928	0.5
379.07904	1.2
393.13263	82.3
394.13641	0.9
397.12561	0.3
435.14264	0.5
537.17804	0.3
555.18536	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	554.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03949	0.1
53.95293	0.1
55.05504	0.3
57.03438	0.4
61.02923	0.2
66.38230	0.1
67.77120	0.1
69.03426	1.6
69.07080	0.1
70.06572	0.3
70.87403	0.4
71.04993	0.3
72.08144	1.0
73.02895	0.2
78.03445	1.4
78.68248	0.1
79.05489	0.1
80.05011	0.3
81.03434	0.6
83.04974	0.5
84.08140	0.4
85.02911	1.2
86.06075	0.1
86.09718	0.2
87.04467	0.2
91.05454	0.2
95.04986	0.3
96.04489	0.9
97.02888	100.0
98.03205	0.2
98.09657	0.2
99.04445	0.3
101.06001	0.2
105.07008	0.2
106.02911	7.5
109.02882	0.3
110.02393	0.4
111.04453	0.3
115.03906	0.2
115.08686	0.2
119.04945	0.3
121.02888	0.2
121.06537	0.2
123.04468	0.1
124.03950	9.0
127.03915	0.8
137.02318	0.4
137.05980	0.2
138.05455	0.2
139.03978	0.1
145.04991	0.2
147.04411	1.7
148.04819	0.2
149.05946	0.1
152.07011	0.3
154.04967	0.1
163.03949	0.2
164.65773	0.1
167.07101	0.2
196.06015	0.5
207.06526	0.1
218.11790	0.2
220.06036	25.5
221.06337	0.2
238.07100	3.9
254.06604	1.2
256.08142	0.6
280.08102	0.2
382.11194	0.2
400.12381	8.7
424.33371	0.1
455.66324	0.1
554.13702	0.3
554.21570	0.4
554.28510	0.4
576.05731	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	554.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
54.28017	0.1
55.01864	0.3
55.05499	0.2
57.03426	0.2
61.02930	0.2
62.92375	0.1
65.03931	0.2
66.04701	0.2
67.05482	0.5
68.19312	0.1
69.03425	0.8
69.07069	0.2
71.04986	0.3
71.62428	0.2
79.05502	0.4
81.03411	0.5
81.07051	0.9
85.02905	2.0
87.13805	0.2
91.05472	0.6
92.26871	0.2
93.07061	0.4
94.04198	0.8
95.04945	0.3
95.08592	0.4
97.02895	1.4
99.04423	0.2
103.05452	0.7
105.07008	0.4
105.94964	0.2
107.04972	0.3
107.08565	0.3
109.02876	0.6
109.06510	0.2
109.10172	0.2
119.04961	0.5
119.08580	0.2
121.10120	0.3
122.03644	2.5
123.04426	0.3
127.03904	0.6
131.04915	0.7
133.10101	0.2
135.08031	0.2
135.11653	0.2
137.05971	100.0
138.06335	0.6
145.04971	0.6
151.07544	0.5
153.01868	0.3
154.06311	0.2
163.07536	2.6
167.07011	0.7
175.07561	0.4
181.08586	14.0
195.10162	0.4
337.07162	0.3
338.07217	0.3
391.11667	0.3
392.12006	1.0
393.13477	0.2
400.12674	0.2
554.17169	1.2
554.31177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	0.3
69.85767	1.4
79.05496	0.2
81.07085	0.2
85.02943	0.2
91.05450	0.2
107.08540	0.3
122.90689	0.2
133.74966	0.2
185.04207	0.4
203.05254	0.8
259.07819	1.1
310.04660	0.2
325.07281	0.3
379.11578	0.3
381.09512	0.2
391.24762	1.2
395.11221	0.3
553.29816	100.0
554.30127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06101	0.4
53.03920	0.5
55.05507	0.7
55.41666	0.5
56.96561	0.4
58.92463	0.4
59.69184	0.4
67.05495	0.6
69.03418	1.6
69.07059	11.1
70.06575	0.7
70.97346	1.0
71.04961	1.4
72.08136	1.9
79.05489	0.5
81.03410	1.4
81.07052	0.7
83.04965	0.8
84.08136	0.8
85.02895	2.4
85.06533	0.5
86.09696	100.0
91.05469	13.5
93.07043	0.9
94.06528	0.5
95.04963	1.3
97.02885	1.7
97.06520	1.6
98.06060	0.6
99.04456	0.4
103.05461	3.9
105.03382	1.7
105.07024	1.7
106.06548	1.3
107.04963	1.0
107.08583	1.2
109.02872	2.1
109.10148	0.7
110.02419	0.4
111.04395	0.6
112.07549	0.5
113.10766	3.1
114.09204	0.6
115.05450	1.2
116.04962	1.0
118.06528	22.5
119.04955	3.2
119.07288	3.7
120.08090	14.5
121.02837	0.4
121.06503	1.0
123.04440	1.9
127.03888	2.8
129.06992	1.2
130.06511	5.3
131.04881	0.9
131.07283	1.2
131.08580	0.9
132.08083	2.2
133.10158	0.9
135.08170	0.6
136.07559	10.6
136.08522	0.8
136.93268	0.5
137.05986	2.0
138.05486	0.7
140.07068	0.9
141.07088	0.6
141.10187	4.9
143.08565	1.3
144.08032	0.7
145.10098	1.2
146.05994	16.9
147.04375	3.4
148.07555	1.1
149.05951	0.5
151.03938	0.5
162.05505	1.8
164.07060	6.8
165.05443	5.1
166.05070	0.5
167.07057	1.3
167.08513	0.8
169.10138	1.7
171.11673	0.7
174.05487	1.0
174.12764	3.3
175.08690	1.0
179.08534	0.7
181.10086	0.6
182.08116	8.3
182.09656	0.6
186.12720	3.0
188.14325	36.8
190.08553	0.5
195.08063	0.5
197.11569	0.5
200.10667	2.6
203.15442	0.6
204.13826	3.7
206.09660	0.6
208.05780	0.5
209.09727	0.5
214.12213	3.7
215.15352	1.3
219.08005	0.6
223.07549	2.0
224.10703	0.5
228.10185	1.5
231.14848	3.2
232.13324	4.5
232.15730	4.3
233.16446	6.0
236.10667	4.2
242.11751	3.5
243.14893	5.4
247.14497	1.1
255.06592	1.2
259.14398	22.3
265.08633	1.5
270.11209	5.7
275.13934	4.6
281.13074	0.6
282.11221	4.0
287.13885	1.7
295.16473	6.9
299.14011	0.8
299.21173	0.6
305.15027	0.5
308.11459	0.5
309.12207	0.8
311.13956	1.3
321.14398	4.2
327.12921	0.7
327.20660	1.1
344.23499	0.7
355.12802	0.9
360.12726	0.5
366.17130	0.8
372.22803	4.8
383.19641	6.0
391.10300	0.4
391.18741	1.2
395.19431	2.1
422.20819	0.8
423.18985	2.3
424.22360	2.1
440.21756	7.7
468.21259	54.3
469.21814	0.6
525.30713	2.9
535.29034	1.5
536.27496	15.2
553.22607	1.0
553.30176	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	553.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01438	0.3
51.73167	0.3
55.05501	0.5
60.43202	0.3
67.05496	0.7
74.88583	0.3
79.05510	0.3
81.07021	0.6
83.01103	0.7
85.02891	0.8
91.05473	0.6
93.07034	0.4
93.49264	0.4
95.01077	0.6
95.08600	0.7
96.01867	0.5
96.13250	0.3
97.35313	0.3
98.20697	0.9
105.62551	0.3
107.08609	0.6
109.02937	0.5
109.10161	0.6
117.03158	0.3
119.08582	0.8
123.04386	0.4
127.03841	0.5
147.04419	0.4
157.04735	0.4
159.11720	0.4
185.04259	1.5
201.03752	1.1
203.05295	1.8
216.21544	0.4
232.34987	0.4
259.07861	1.8
262.99982	0.3
296.82419	0.4
309.20514	0.4
325.06876	0.5
331.10004	2.3
337.07166	0.5
359.13107	1.0
361.10565	0.5
373.14874	0.9
379.11697	1.1
387.12402	0.5
390.14163	0.7
391.14291	1.6
391.24637	0.8
401.18002	0.6
415.19373	1.1
483.21674	2.1
517.21545	0.4
553.29791	100.0
554.30090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1338
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03943	0.9
53.99794	0.4
55.01863	0.8
55.05497	1.6
57.03440	0.7
59.04983	0.4
61.02915	0.7
65.03931	4.5
67.05489	1.6
68.99785	1.2
69.03424	2.8
69.07053	1.6
70.06613	1.0
71.62341	0.5
72.08140	1.8
78.62345	0.4
79.05484	1.3
81.03403	4.1
81.07028	2.4
83.04962	1.4
84.08125	1.8
85.02884	3.7
85.06533	1.2
86.09699	1.1
89.93111	0.4
91.05467	2.2
93.03441	0.5
93.07043	1.9
94.22697	0.4
95.04959	1.5
95.08598	2.0
97.02875	6.7
97.06537	1.1
98.09725	0.7
99.04443	1.0
100.11229	0.9
101.06037	0.7
103.05486	0.5
105.07034	1.9
106.02914	0.6
107.04953	1.3
107.08572	2.2
109.02869	6.3
109.06503	1.1
109.10134	1.0
110.02370	0.9
111.04427	4.8
111.08057	0.7
119.04930	3.0
119.08588	1.5
121.02854	100.0
121.10128	1.2
123.04417	3.2
123.08056	1.0
124.03967	0.8
125.06014	0.5
125.09589	0.7
127.03888	4.3
131.04921	1.2
131.08562	0.9
133.10112	1.2
135.07985	0.5
135.11650	0.6
136.07542	0.7
137.05977	3.1
138.05466	0.5
139.03847	0.7
145.02834	1.5
145.06479	0.7
145.10103	0.8
147.04398	3.5
147.08047	0.8
147.11676	0.7
149.02319	0.9
149.06009	0.8
151.03908	1.6
151.07518	0.7
151.11116	0.5
152.07050	1.0
153.01830	1.4
154.58386	0.4
155.08466	0.5
159.11580	0.6
161.05943	1.1
163.03847	1.7
163.07565	1.4
164.07037	0.7
165.01848	1.5
165.05455	0.7
165.09167	0.5
167.03409	2.5
167.07002	5.1
167.10677	0.5
177.01851	1.2
177.05441	1.0
179.03384	0.6
179.10712	0.8
181.05017	0.7
183.02882	1.4
184.06099	0.6
187.03853	0.6
189.01900	0.5
193.08627	0.8
195.02861	1.6
197.11729	1.8
203.92856	0.6
205.04984	0.5
205.08586	1.6
207.06343	0.5
211.07526	0.5
218.11954	0.6
219.09982	0.8
220.06004	1.1
239.06978	1.8
245.15869	0.4
267.06497	14.0
270.05145	1.4
271.05905	4.2
281.08090	2.1
283.05801	18.8
284.06750	3.2
285.07553	1.7
286.07910	1.1
293.07977	0.5
295.05981	74.8
296.06308	0.6
297.07584	1.3
307.05850	0.8
308.06790	0.9
309.04007	0.8
309.07498	6.3
313.07016	40.3
314.07324	0.5
321.07623	0.5
323.09070	2.2
333.07507	0.9
337.06964	11.2
337.23703	0.5
349.07199	2.6
351.08707	0.9
355.15588	0.5
356.15634	0.6
361.07101	1.9
367.07922	3.1
379.08063	6.5
391.11905	1.2
397.09116	5.4
415.10196	15.0
433.11087	9.9
449.16263	0.8
535.11896	0.8
535.30609	0.6
553.13556	7.2
553.26758	1.9
553.33289	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	553.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
51.98226	0.4
53.03944	4.1
55.01872	4.5
55.05499	1.8
57.03437	2.4
57.07066	0.5
58.06586	0.5
59.08562	0.4
59.98864	0.4
61.02924	2.5
65.03946	0.8
67.05496	2.1
68.99789	2.7
69.03074	1.0
69.03425	16.6
69.07050	2.0
70.06579	0.9
71.04983	2.8
71.62692	0.8
72.08137	2.0
73.02561	0.5
73.02903	3.2
79.05482	1.9
81.03411	23.3
81.07042	3.9
83.01332	1.3
83.04965	1.5
84.08134	1.7
85.02898	31.8
85.06538	1.4
86.09701	0.8
87.00825	10.0
91.03951	1.0
91.05462	2.9
93.07041	3.8
95.01288	0.7
95.04956	3.2
95.08608	3.2
97.02885	12.6
97.06524	1.2
97.10148	0.5
99.04448	6.5
100.11207	0.6
101.06007	0.8
103.03922	0.7
103.05479	0.9
105.01862	7.5
105.03388	1.1
105.07008	3.6
106.02919	1.0
107.04902	1.2
107.08597	3.1
108.44632	0.5
109.02870	26.3
109.06500	1.3
109.10159	2.5
110.02391	1.5
111.00765	0.7
111.04449	1.4
114.10262	0.6
115.03904	0.8
115.05419	0.6
117.01884	2.4
117.03377	0.7
117.06997	0.6
119.04946	1.8
119.08578	1.8
121.02865	2.1
121.06480	1.4
121.10150	2.4
122.03609	0.6
123.04430	11.7
123.08032	1.0
123.11668	0.9
124.03922	1.1
124.04714	0.6
125.05986	0.7
125.09589	0.6
127.03910	31.8
129.01820	1.9
131.04897	1.4
131.08542	1.3
133.02867	2.9
133.06465	0.9
133.10103	1.9
135.04416	1.2
135.08058	0.8
135.11679	2.0
137.02376	1.2
137.05946	6.4
137.09622	0.9
139.03899	18.3
145.04942	7.4
145.06465	1.1
145.10115	1.4
147.02998	1.2
147.04393	4.2
147.11649	1.4
149.02324	0.8
149.05983	1.5
149.09633	0.9
149.13240	1.4
151.03893	26.5
151.07576	0.7
151.11111	0.5
152.07025	1.2
153.01814	9.5
153.05452	2.0
155.03400	5.7
157.06508	0.5
157.10085	0.7
159.02896	10.2
159.08066	0.6
159.11702	1.1
160.05162	0.8
161.02344	0.8
161.05960	1.5
161.13165	0.7
163.03903	1.9
163.07484	1.0
164.07028	0.9
165.05405	0.7
165.07544	0.5
167.03412	1.3
167.07030	6.2
168.07275	0.7
173.13257	0.6
175.03871	1.4
175.07547	1.2
177.05464	1.7
177.12950	0.5
179.03381	19.5
179.06946	0.7
179.10596	1.1
181.04910	1.4
181.08673	1.0
184.05975	0.5
185.05977	0.5
187.03900	0.7
189.03912	0.7
189.05444	1.2
191.03398	0.8
191.07004	0.7
193.04877	0.9
194.09326	0.6
197.11789	2.7
199.03748	0.6
203.03499	0.6
205.08508	0.7
207.06505	1.3
213.03889	1.0
213.05525	2.5
213.09175	0.7
217.04909	1.6
222.22585	0.5
223.05876	0.6
231.04832	2.8
231.06924	0.7
235.06038	0.7
241.04947	1.5
243.07649	0.7
253.04941	0.6
259.05951	1.5
267.06509	0.6
269.04401	0.6
271.05890	0.9
277.07040	2.1
283.06094	1.7
285.07559	2.5
286.07806	2.9
287.05469	19.1
287.12692	0.6
295.06097	1.4
305.06540	100.0
306.06845	1.1
311.05515	1.4
325.07028	0.6
329.06638	3.8
347.07550	4.5
349.07117	0.9
351.08636	0.7
353.26636	2.2
355.15189	0.8
356.15839	1.3
369.12970	0.6
371.07681	2.1
391.11914	0.8
395.07474	0.9
413.08594	2.7
535.31281	1.7
552.34436	0.7
553.15344	1.4
553.26532	2.4
553.34161	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	551.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
55.05506	8.9
57.03430	5.1
57.07074	27.1
65.03940	2.5
67.05499	15.4
69.03454	2.7
69.07059	8.2
69.70995	13.3
71.05006	2.6
71.08630	21.4
73.19303	1.7
79.05481	10.3
81.03422	29.2
81.07055	22.3
83.04977	4.1
83.08611	12.9
85.02907	15.5
85.06557	1.8
85.10172	8.9
91.05457	12.0
93.07059	5.2
95.04967	10.3
95.08608	16.4
97.10175	6.6
98.21435	3.3
99.11730	2.2
105.07018	10.8
107.08574	3.7
109.06461	2.6
109.10170	6.7
111.08077	3.2
119.08578	9.4
121.10124	4.7
123.11772	3.5
129.06973	3.5
131.08559	4.2
133.10110	2.3
137.13234	2.4
142.07799	2.6
147.11673	5.0
157.10126	6.3
158.23781	1.6
163.72366	1.7
175.11176	4.3
186.32739	1.8
193.12212	24.1
211.13261	29.2
219.46457	1.8
221.05424	1.9
238.76730	1.7
258.39908	2.0
267.15945	5.9
318.08859	2.0
338.20639	1.7
341.30743	4.6
343.68066	2.1
348.16513	1.7
383.36456	2.1
551.43011	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	552.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.1
56.05003	0.1
56.97369	0.1
67.05480	0.1
68.99781	0.1
69.03407	0.2
69.07041	0.1
70.06554	0.2
72.88891	0.1
79.05470	0.2
81.03374	0.2
81.07035	0.2
83.04952	0.1
84.04469	0.1
85.02864	0.4
85.06545	0.2
91.05452	0.2
93.07031	0.1
95.04959	0.1
95.08614	0.2
95.57431	0.1
97.02872	0.3
99.04441	0.2
100.11211	0.3
103.05424	0.1
105.07037	0.2
107.04964	0.4
107.08549	0.1
109.02851	0.2
109.10137	0.2
112.29131	0.1
117.07026	0.1
118.03379	0.1
118.04136	1.8
119.04901	0.3
119.08575	0.2
120.53875	0.1
120.79769	0.1
121.02840	0.1
121.10118	0.2
123.04419	0.5
123.11700	0.1
124.01559	0.3
124.03927	0.2
127.03895	0.4
131.08592	0.1
133.10077	0.1
135.11644	0.1
136.07521	0.3
137.05937	0.3
138.05472	0.6
138.09076	0.2
139.03865	0.2
145.04889	0.1
147.04387	0.4
147.11693	0.1
149.13217	0.1
150.58775	0.1
152.01012	0.5
153.01817	2.8
153.05362	0.2
154.05765	0.1
163.03877	0.3
163.54308	0.1
164.07022	0.3
166.08621	0.3
167.03348	0.2
167.07033	0.6
168.07353	0.2
170.02090	1.5
177.05408	0.2
193.08495	0.1
199.07541	0.1
207.06516	0.1
213.05479	0.1
217.08652	0.1
225.05435	0.1
229.08530	0.3
241.05145	0.1
242.05801	0.6
257.08057	0.1
269.04425	6.7
270.05200	22.9
271.05612	0.3
285.07541	100.0
286.07895	1.5
295.06094	0.1
367.89148	0.1
390.19254	0.2
423.21506	0.1
552.14905	3.3
552.44946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.05515	11.3
57.07069	11.1
67.05498	28.6
69.07059	21.8
69.50296	44.8
79.05487	24.0
81.07049	53.8
83.08629	8.0
91.05472	39.3
93.07040	60.1
95.08585	37.6
98.20721	9.7
105.07024	67.3
107.08582	61.3
109.10155	52.5
116.06128	5.6
117.06997	12.0
119.08566	100.0
121.10131	67.7
123.11738	9.8
123.53004	5.2
125.69723	4.6
129.07001	11.9
130.07784	9.1
131.08522	35.0
133.10123	59.6
135.11694	43.1
142.07776	11.0
143.08556	21.2
144.09348	11.8
145.10110	67.0
147.11705	24.6
149.13254	8.6
155.08548	9.8
156.09354	7.5
157.10066	28.8
158.10759	4.9
159.11729	32.0
159.12834	4.8
161.13251	10.7
167.08684	6.1
169.10132	22.5
171.11705	24.8
173.13229	25.0
175.14786	39.3
181.10092	8.6
183.11713	14.9
185.13261	22.7
187.14848	17.0
193.10237	8.1
194.10756	5.2
195.11647	9.1
197.13271	16.7
198.14096	5.1
201.16483	15.2
207.11700	6.4
209.13268	10.3
211.14845	12.1
213.16466	6.3
219.17517	7.1
221.13242	10.9
223.14873	15.2
225.16316	5.8
237.16434	6.5
241.19496	6.3
251.17816	5.1
265.19501	6.4
277.19440	6.4
278.07318	5.0
283.20407	5.8
420.70709	5.2
426.98886	5.3
454.03021	5.3
533.42126	6.7
545.98651	6.5
551.42657	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.05508	6.7
57.07068	3.3
60.45370	1.5
67.05507	10.8
69.07066	14.7
70.56667	4.7
71.01350	10.9
75.04473	2.4
76.19434	1.4
79.05488	5.7
80.65329	1.6
81.07048	29.0
83.08632	7.3
85.02907	10.6
86.55270	1.4
91.05479	6.3
93.07040	17.9
95.08602	57.1
97.10154	4.4
99.00819	1.4
101.02376	22.3
103.90488	1.7
105.07022	20.8
107.08592	25.5
109.10152	32.4
111.11713	3.0
117.06993	1.6
119.08575	24.3
121.10140	25.9
123.11692	16.9
127.03909	18.3
131.08563	6.0
133.10124	21.1
134.70221	1.5
135.11687	19.3
137.13272	13.4
143.08527	1.8
145.04951	25.4
145.10150	7.7
147.11681	14.9
149.13260	16.4
157.10159	3.3
159.11649	12.8
161.13266	13.9
163.14888	9.0
171.11674	2.7
173.13200	5.0
175.14812	7.9
177.16360	16.0
179.17986	2.1
182.05141	1.5
185.13188	1.8
187.14807	7.9
189.16364	15.4
191.17935	15.4
193.98438	1.5
199.14857	2.9
201.16356	18.7
203.17921	22.4
205.19534	5.4
213.16315	3.8
215.17941	8.6
217.19498	18.3
219.20876	1.5
227.17960	4.6
229.19537	11.1
231.21065	5.3
241.19537	2.4
243.21138	3.6
245.22659	2.6
255.21063	8.5
257.22723	7.4
269.22528	8.0
271.24158	3.7
283.24072	3.7
297.25833	4.9
337.28857	2.5
382.29337	1.8
407.36703	100.0
409.12439	1.9
533.21399	1.6
551.33789	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	551.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01886	3.5
55.05502	9.6
57.07074	4.7
67.05509	18.8
69.07059	16.9
71.01360	9.3
71.62199	8.0
75.04454	3.7
79.05483	7.7
81.03390	4.2
81.07047	38.5
83.08609	12.2
85.02917	18.2
91.05494	11.5
93.07033	23.3
95.08602	65.2
97.10165	8.0
101.02382	19.2
105.07039	21.9
107.08577	27.6
109.10151	44.8
117.06983	4.2
119.08562	25.3
121.10147	27.3
122.80904	4.3
123.11694	16.4
127.03872	19.9
131.04958	3.6
131.08525	7.6
133.10132	21.4
135.11700	15.8
137.13264	15.4
143.08528	4.7
145.04947	23.5
145.10138	12.0
147.11687	20.3
149.13254	15.3
159.11716	7.1
161.13252	17.0
163.14764	8.8
167.07022	5.9
171.11633	5.5
173.13249	6.7
175.14886	7.6
177.16405	15.1
187.14871	8.8
189.16399	16.6
191.17903	15.6
201.16415	18.1
203.17955	26.9
205.19521	8.8
213.97400	3.7
215.17969	9.0
217.19569	22.0
217.21387	3.8
219.20924	3.9
227.17903	8.5
229.19499	14.4
231.21014	5.0
243.21046	4.7
255.21065	8.4
257.22794	6.0
260.71613	4.4
269.22714	9.2
271.24182	5.2
297.25659	4.1
333.11261	7.9
358.85724	4.5
361.10492	6.0
367.11475	4.0
379.11813	20.2
389.13721	11.2
389.18030	8.2
407.31519	7.6
407.36710	100.0
533.21082	5.1
551.22412	18.7
551.31866	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	551.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01853	3.1
55.05505	6.1
55.78754	1.0
56.96556	1.5
57.07066	4.0
67.05499	12.4
69.07061	14.4
71.01348	8.9
71.08617	1.5
71.62426	1.3
75.04473	2.7
79.05495	7.5
81.07054	30.9
83.08614	6.1
85.02898	11.8
91.05465	6.3
93.07045	17.4
95.04958	1.0
95.08598	53.8
97.10155	4.5
98.97553	1.4
101.02370	15.9
105.07032	15.8
107.08585	29.2
109.10149	34.0
110.97601	1.1
111.11715	2.7
117.07016	1.8
119.08580	22.3
121.10141	24.0
123.11695	17.9
125.13256	1.2
127.03915	18.3
128.98550	2.4
129.06926	1.4
131.08553	6.0
133.10129	20.9
135.11694	17.0
137.13248	12.7
143.08537	2.5
145.03889	1.8
145.04947	20.3
145.10109	10.3
146.99706	1.7
147.11674	15.1
149.13249	13.6
151.14807	2.0
157.10147	2.9
159.11681	13.0
161.13231	12.2
163.14828	9.0
171.11693	3.7
173.13258	7.0
175.14778	6.0
177.16368	18.2
179.17953	1.9
185.13234	2.3
187.14821	7.7
189.00719	2.4
189.16383	14.4
191.17915	14.1
199.14822	3.2
201.16367	20.0
203.17941	23.8
205.19498	5.0
213.16377	2.1
215.17967	9.8
217.19507	15.9
219.21040	2.9
227.17987	5.8
229.19481	10.8
231.20988	5.0
232.86537	1.0
240.71959	1.3
241.19482	3.5
243.21095	5.5
245.22586	2.6
255.21045	6.3
257.22693	5.6
269.22675	8.7
271.24225	2.5
283.24191	3.8
297.25620	2.2
337.28952	1.2
361.10730	1.1
379.11761	3.1
389.13596	2.5
407.36703	100.0
408.36969	1.7
451.07425	4.5
511.09216	1.3
515.20178	1.2
533.21338	1.3
551.21008	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	551.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05506	10.0
57.07055	4.0
67.05498	16.0
69.07065	17.3
70.06614	2.3
71.01348	11.1
71.62212	2.0
71.62598	3.3
72.08138	2.2
79.05494	6.8
79.82172	2.3
81.03436	2.5
81.06635	3.2
81.07059	33.5
83.08618	9.0
85.02897	16.9
91.05479	8.3
93.07050	16.1
95.04976	2.4
95.08605	70.6
97.10178	4.1
101.02380	21.2
105.07029	17.1
107.08601	32.6
109.10152	37.9
117.07037	2.2
119.08588	24.5
119.09367	3.1
121.10146	23.9
123.04452	7.8
123.11710	20.2
127.03922	17.3
131.08542	7.0
133.10109	22.4
135.11696	16.3
137.06068	2.1
137.13258	16.0
143.08560	3.6
145.04955	24.7
145.10136	10.2
147.11688	17.0
149.13246	15.6
157.10124	3.7
159.11649	13.6
161.13290	16.7
161.36827	2.1
162.83377	1.9
163.14836	12.0
167.07057	5.6
171.11647	4.1
173.13222	11.4
175.14825	8.4
177.05586	2.8
177.16374	16.4
179.18054	3.1
185.13411	2.8
187.14818	8.7
189.16367	21.9
191.17882	14.6
199.14926	2.5
201.16370	22.2
202.16983	2.3
203.17949	25.6
203.66261	1.9
205.19518	6.5
213.16476	3.9
215.17955	9.2
217.19531	21.2
219.21062	2.7
227.18137	4.7
229.19585	12.5
231.21181	6.1
243.21146	6.0
255.21094	6.9
257.22678	8.3
263.09180	2.9
269.22562	10.5
283.24243	3.0
285.11273	4.2
297.25928	2.4
365.10007	2.7
379.11871	3.8
389.13492	6.7
407.36703	100.0
409.12854	13.6
483.15607	2.2
505.40604	2.6
515.20544	5.0
533.21783	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	551.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01852	0.3
55.05498	0.3
57.03427	0.2
63.67107	0.2
65.03929	0.5
66.84424	0.2
67.05480	1.0
69.03421	0.7
69.07049	0.8
69.65875	1.7
70.06579	0.7
71.04968	0.7
72.08141	0.7
72.55065	0.2
78.04704	1.6
79.05495	2.2
81.03408	0.6
81.07056	2.4
83.04958	0.4
83.08617	0.2
84.08134	0.6
85.02912	1.1
85.06515	0.7
86.09674	0.3
86.70487	0.2
91.05475	1.8
93.07050	1.3
94.04160	0.4
95.04963	1.2
95.08589	1.6
97.02877	0.9
97.06515	0.5
99.04446	0.5
103.05459	0.5
105.03378	0.8
105.07027	1.6
106.04164	0.7
107.04943	2.3
107.08575	1.0
109.02861	0.7
109.06504	0.5
109.10116	1.2
111.04456	0.3
111.08080	0.3
115.05436	0.6
117.07015	0.3
119.04958	0.6
119.08548	0.7
121.06485	1.0
121.10110	1.0
122.03673	0.6
123.04419	4.7
123.08044	0.4
123.11692	0.9
124.05225	1.7
125.09604	0.3
127.03903	1.8
128.06213	0.3
129.06981	0.9
131.04904	0.6
131.08585	0.4
133.02812	0.6
133.06496	1.2
133.10117	0.6
135.11690	0.9
137.05965	9.3
137.13246	0.3
144.05679	0.2
145.06473	0.4
146.07254	0.2
147.04420	1.6
147.07970	0.3
147.11668	0.6
149.05975	1.5
149.13295	0.6
151.03885	1.0
151.07532	0.9
151.11153	0.4
152.04651	1.2
153.05457	0.6
155.06978	0.2
157.06506	0.7
159.08040	0.6
159.11636	0.4
159.57347	0.2
160.05157	0.3
161.05974	1.7
161.13234	0.3
163.03874	0.2
163.07571	0.4
165.05467	0.7
167.07030	100.0
168.04176	0.4
168.07341	0.7
169.06392	0.2
171.13799	0.5
172.05147	0.6
174.06735	0.8
175.07533	1.8
177.05482	1.2
177.09114	0.6
178.07793	0.3
179.07040	1.0
181.08571	1.4
181.10013	0.3
187.05841	0.4
187.07536	6.9
189.09079	2.3
191.07036	0.6
193.08591	4.3
193.10269	0.3
196.05269	0.3
199.07449	0.4
203.08527	1.1
205.08592	0.4
207.06491	0.3
211.07545	1.1
211.09660	3.2
213.05446	0.3
214.67868	0.2
217.08539	1.3
219.08098	0.5
220.08905	0.5
228.07904	0.3
231.08034	1.0
232.08644	0.3
233.05838	0.3
233.09497	0.2
239.07025	0.8
240.07756	1.1
247.07568	0.6
248.08350	1.6
249.09113	0.7
251.10643	0.6
255.06557	0.4
256.07336	0.9
259.07474	0.4
260.08295	0.2
261.09055	0.4
263.10733	1.4
264.07767	0.4
265.08633	0.7
270.08954	0.3
271.09616	5.7
276.07751	0.9
277.08606	0.9
279.10181	0.9
281.11740	0.7
283.09763	0.9
291.10110	4.9
292.10928	0.3
293.08078	0.7
294.08728	0.3
295.09637	0.3
296.10452	0.8
297.11139	0.5
303.07489	0.3
308.10370	0.5
309.11246	1.1
311.09427	0.3
311.12775	1.9
313.14328	0.5
317.24698	0.9
323.12781	3.7
335.25729	1.6
338.07626	0.2
341.13815	11.0
353.10120	0.3
353.26920	1.6
369.25473	0.3
371.10840	0.3
371.15054	0.5
371.27905	0.9
489.31821	0.3
489.51367	0.3
507.32895	0.9
551.24329	0.4
551.33063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
65.41068	0.4
70.20074	0.6
70.20496	1.3
73.74210	0.4
74.02422	0.5
77.83123	0.3
80.81884	0.4
91.05498	0.5
104.73991	0.4
115.05457	0.7
117.05819	0.4
117.06998	0.6
118.06542	16.0
130.06523	1.2
132.08087	4.7
142.06528	1.6
143.07298	1.8
144.08078	10.8
146.06003	54.2
147.06384	0.4
159.09181	5.6
160.07602	0.8
170.05965	3.2
188.07054	100.0
189.07364	1.2
205.09714	47.7
206.10094	0.5
306.02271	0.3
325.80133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25858	0.3
53.03920	0.7
55.01882	0.3
55.05486	0.6
57.03402	0.3
57.07064	0.4
57.10372	0.3
60.64025	0.3
65.03924	0.5
67.05478	1.3
69.03408	1.0
69.07059	1.2
69.41266	1.1
69.41685	1.6
70.06571	0.6
71.04974	1.0
72.08133	0.6
78.04694	1.6
79.05486	2.9
81.03407	1.7
81.07037	4.0
83.04976	0.7
83.08604	0.6
85.02905	1.4
85.06519	1.9
86.09700	0.3
91.05474	2.2
93.07027	2.5
94.04070	0.3
95.04945	1.5
95.08607	2.7
97.02870	1.9
97.06507	0.5
98.20766	0.7
99.04459	0.6
99.08099	0.5
101.05930	0.3
103.05460	2.6
105.03402	0.3
105.07014	2.9
106.04129	1.2
107.04935	3.6
107.08566	2.0
109.02831	1.2
109.06502	0.9
109.10129	2.3
111.04388	0.3
111.08104	0.4
113.05967	1.0
115.05462	0.7
117.07013	0.7
119.04906	0.8
119.08553	1.2
121.06488	1.4
121.10136	1.6
122.03625	1.0
123.04412	4.9
123.08025	0.6
123.11691	1.3
124.05199	2.1
125.05994	0.6
125.09588	0.8
127.03892	6.1
128.06203	0.9
129.05527	0.3
129.07002	2.1
130.42296	0.3
131.04904	4.3
131.08594	0.3
133.06473	2.3
133.10098	1.3
135.04385	0.7
135.07993	0.3
135.11696	0.8
137.05959	11.3
137.13190	0.4
138.03122	0.3
143.04883	0.4
143.08537	0.6
144.05692	0.4
145.06502	0.5
145.10124	0.7
147.04385	1.8
147.08037	0.4
147.11671	1.2
149.06001	1.6
149.06982	0.3
149.09612	0.5
149.13229	0.4
151.03877	2.2
151.07533	1.6
151.11165	1.0
152.04695	1.6
153.05434	0.6
155.04901	0.4
157.06427	0.4
159.08023	1.3
160.05241	0.3
161.05968	2.0
161.09633	0.4
161.13315	0.4
163.03831	0.6
163.07530	4.6
163.11162	0.4
167.07016	100.0
168.07240	0.4
171.13815	0.3
173.06070	0.5
173.09494	0.3
173.13231	0.3
174.06735	0.9
175.07536	1.6
175.14720	0.3
177.05447	0.9
177.09062	0.5
178.04930	0.9
179.05403	0.5
179.06976	0.7
181.04950	0.8
181.08539	2.0
185.06042	0.4
187.07523	5.6
189.09094	2.7
191.07022	1.0
193.08595	6.4
193.10278	0.6
193.12173	0.5
199.07515	0.6
203.08450	0.3
205.08621	1.1
206.04495	1.6
206.07248	0.4
207.04776	0.6
207.06502	0.5
207.13837	0.4
209.08162	0.3
211.09589	2.1
211.13231	0.4
217.08533	0.7
218.07462	0.4
218.09676	0.3
219.08182	0.4
219.17603	0.3
221.09579	1.0
223.07564	0.3
231.08144	0.5
234.06795	0.9
235.07388	0.7
249.09113	1.2
251.07008	0.9
255.06500	3.1
263.06940	0.3
265.10861	0.4
266.09442	0.4
271.06058	0.4
273.06540	0.3
277.08554	0.6
278.09045	0.3
279.06479	0.5
279.19476	0.3
281.11664	2.4
285.07330	0.4
291.10110	0.5
294.08771	0.5
309.11093	1.9
310.11874	0.3
311.09167	0.5
317.24707	1.0
323.12915	0.9
325.10391	0.4
327.12137	0.4
335.25732	2.5
339.12341	0.4
341.13782	8.7
351.25180	0.3
353.13760	0.5
353.26825	2.6
355.15521	0.5
357.13397	0.4
371.10989	0.7
371.15057	0.8
371.27972	1.1
375.14264	0.4
379.15366	0.7
389.12167	0.6
389.28958	0.4
519.19788	0.5
533.21747	0.6
551.24402	1.7
551.32928	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01867	4.4
55.05502	5.6
55.54583	1.7
55.90324	1.7
57.03432	15.4
57.07084	2.2
59.04983	2.8
61.02908	6.0
65.03924	4.5
67.01852	4.7
67.05486	8.3
68.99791	2.5
69.03422	32.9
69.07062	9.1
69.42980	3.5
69.43383	16.1
70.06571	8.0
71.01329	2.2
71.04986	50.7
72.08165	11.1
73.02921	11.7
74.06077	2.6
75.98441	2.3
77.21869	1.7
79.05492	12.2
81.03402	6.9
81.07047	23.3
82.24139	2.0
83.04971	8.8
83.08618	3.9
84.08125	8.2
85.02898	78.3
85.03426	4.1
85.06532	8.3
86.09693	3.2
87.04452	3.3
89.06015	3.0
91.03950	2.0
91.05498	10.7
93.07029	12.9
94.06475	1.9
95.04955	9.4
95.08584	19.0
97.02882	20.2
97.06526	6.2
97.10139	3.3
99.04454	5.4
101.06000	4.3
103.05448	3.7
105.07040	10.7
107.04923	12.4
107.08585	8.6
109.02853	7.7
109.06509	7.7
109.10161	11.2
111.04390	9.1
111.08051	2.5
114.10301	2.3
115.03929	2.9
119.04923	14.1
119.08577	8.0
121.02853	12.4
121.06503	7.5
121.10126	8.0
122.03694	2.0
123.04459	10.0
123.08081	2.7
123.11696	7.2
125.05985	4.9
125.09636	2.7
127.03899	24.5
129.05482	12.2
131.04884	3.8
131.08521	4.8
133.02834	3.0
133.06456	5.5
133.10120	8.4
135.04419	13.9
135.08084	3.2
135.11681	5.4
136.07579	2.8
137.05956	21.5
137.13219	2.9
139.03906	2.8
144.35028	1.8
145.02834	4.0
145.04980	3.4
145.06529	3.0
145.10091	3.5
147.04398	47.8
147.06458	2.5
147.11658	6.4
149.05986	4.1
149.09586	2.4
149.13206	2.9
151.03911	4.9
151.07509	4.5
151.11134	3.7
153.01814	60.0
153.05493	2.9
157.10060	2.1
158.07538	1.9
159.11687	2.4
161.05949	5.7
161.09673	2.4
163.03856	13.5
163.07625	2.3
163.11148	3.1
163.14781	2.8
165.01802	13.5
166.08777	2.0
167.07021	63.7
169.04910	2.0
171.02876	32.3
171.13754	3.5
173.05920	3.4
173.13229	2.5
175.03870	3.7
175.07481	4.8
175.14836	3.3
177.01851	7.3
177.05493	9.4
179.03374	4.0
181.04906	8.2
181.06369	2.5
181.08534	4.5
183.02905	17.7
185.05928	3.2
187.03900	2.6
187.07527	4.3
189.01854	3.7
189.05495	4.1
191.03386	13.2
191.07050	4.0
193.04947	4.3
193.08623	4.6
195.01086	4.0
195.02879	79.4
196.18774	1.9
199.07457	2.8
203.03369	14.5
203.17953	6.4
205.19635	2.0
207.02864	7.9
207.06548	3.4
217.04967	4.5
219.02882	34.9
221.04462	6.7
221.19006	2.9
225.03815	3.9
231.02840	17.2
235.06047	2.2
237.03969	2.9
243.14398	1.8
245.04414	25.1
249.03932	29.7
255.06725	2.2
261.04025	6.1
263.05481	25.9
271.05997	8.0
271.16992	2.3
272.06274	4.4
273.07553	100.0
275.05780	2.4
281.06479	3.8
285.07526	15.6
291.04938	3.4
297.07495	10.9
303.17038	4.9
309.07541	3.1
314.04303	3.4
315.05130	3.8
315.08566	24.8
317.24722	4.8
329.06522	17.0
335.25800	10.5
339.08585	23.3
341.13834	6.6
351.08569	7.5
351.25046	3.2
353.10202	4.3
353.26840	13.6
359.07672	2.6
365.10141	8.0
369.09641	24.5
369.25787	3.4
371.11020	9.4
371.27893	3.7
377.08655	7.5
381.09628	3.1
383.11240	25.8
387.10638	16.1
389.12338	5.5
401.12332	8.7
405.11890	12.3
419.13446	15.3
507.32928	3.8
533.29639	2.3
535.28876	2.0
551.23938	3.2
551.31055	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	551.1755
Annotation	Styraxjaponoside A
Peak:m/z	Relative Intensity
51.61928	0.2
53.03934	0.8
55.01859	0.5
56.55350	0.2
57.03429	2.0
61.02922	2.1
65.14301	0.2
69.03422	8.4
69.34268	1.3
69.34692	0.7
70.06568	0.2
71.01347	0.3
71.04972	0.6
72.08139	0.3
73.02910	1.4
78.20377	0.2
81.03412	2.6
84.08130	0.2
85.02895	16.2
86.44954	0.2
87.04459	1.8
91.03940	0.6
91.05473	0.5
93.03400	0.5
95.01307	0.3
95.04928	0.2
97.02881	5.0
98.21548	0.3
99.04434	1.1
101.02374	0.4
103.03948	0.4
106.04147	0.2
107.04183	0.2
107.04923	0.5
109.02864	1.8
115.03864	0.4
117.03365	0.3
119.04940	0.3
120.05663	0.5
121.04514	0.2
121.06499	0.2
122.03608	0.2
127.03897	3.3
131.04903	0.3
134.03589	0.5
135.04430	0.3
137.02301	0.4
137.05943	0.5
143.04927	0.3
143.84361	0.2
145.02797	0.5
145.04950	1.3
145.05927	0.2
145.06538	0.3
147.04427	0.8
148.05174	0.4
151.03888	0.8
153.05370	0.2
161.05925	0.4
163.03896	1.7
167.07030	0.7
169.06529	0.2
173.05927	0.4
175.03899	0.7
176.04713	0.9
177.05396	1.5
179.07063	0.3
180.36534	0.2
181.08646	0.2
187.03867	0.3
189.05479	0.4
191.03340	2.3
193.05028	0.2
197.05975	0.4
201.05507	0.3
203.03337	0.9
204.04192	1.1
205.04907	1.5
219.08113	0.3
221.04449	0.6
222.05205	0.8
225.08937	0.2
237.09093	0.2
239.06985	0.4
242.06216	0.2
253.08702	1.0
254.09174	0.4
255.06444	1.7
263.06958	0.3
264.07782	0.2
265.08578	1.3
267.06528	0.5
280.07175	0.2
281.08054	4.9
282.08789	1.4
283.09277	0.3
285.07602	0.3
292.07178	0.3
293.08090	1.8
295.05945	0.5
295.09399	0.2
296.07175	0.2
297.07938	0.3
297.11096	1.3
303.08884	0.2
309.07584	1.7
310.08319	1.6
311.08951	0.3
319.05835	0.4
320.06821	0.5
321.07544	3.5
321.11151	0.3
323.05624	0.3
323.09183	0.7
325.06839	0.6
325.10690	0.5
326.07376	0.2
327.08728	0.2
335.09085	1.4
337.07025	8.9
337.10464	0.4
338.07803	27.3
339.08365	0.6
351.08438	0.8
353.10141	61.5
354.10657	0.8
356.08862	1.4
369.09576	0.3
371.11209	50.1
372.11438	0.6
377.10214	0.4
389.12259	100.0
390.12537	1.2
395.11197	0.8
413.12390	1.3
431.13354	0.5
515.15894	0.4
533.16541	2.0
551.17426	6.4
551.29962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75268	0.2
53.03938	1.4
55.01868	1.2
55.05504	0.5
57.03428	0.5
61.02931	1.8
69.03420	2.2
70.06593	1.1
71.04985	1.1
71.62969	0.4
72.08150	1.9
73.02912	2.6
81.03419	4.0
83.01329	0.3
83.04970	0.9
83.06101	0.2
84.08137	0.7
85.02901	5.1
86.06058	0.3
86.09710	0.2
86.41874	0.2
87.04441	0.3
91.03951	2.1
91.05478	0.5
94.06598	0.2
94.38767	0.2
95.04947	0.3
97.02891	2.8
98.06059	0.5
98.09634	0.2
98.97546	0.2
99.04449	8.2
101.02379	1.6
101.06019	0.3
103.03929	1.9
103.05483	0.2
105.07014	0.3
107.04949	0.3
107.08573	0.3
109.02876	8.4
110.02367	0.3
115.03936	1.1
119.03404	1.9
119.04933	0.8
123.04436	0.3
125.06025	0.2
127.03909	100.0
128.04227	0.4
133.06535	0.3
134.99712	0.4
137.04439	0.9
137.05945	0.3
138.05525	0.2
140.07124	0.2
145.04950	3.2
147.04399	3.9
150.05411	0.2
153.10229	0.3
157.04991	1.2
161.04456	7.0
161.05917	0.7
163.03888	0.4
167.07089	0.5
177.05501	0.6
178.08832	0.3
187.06053	1.1
187.07471	0.2
190.45184	0.2
193.08598	0.3
199.06055	0.4
201.00517	0.2
203.05504	1.0
205.07062	0.3
207.06509	0.4
209.07990	0.2
210.02028	0.2
218.11833	0.3
227.05498	4.5
229.07143	0.4
235.14342	1.0
245.06555	3.8
247.14464	0.3
253.07004	0.4
255.37614	0.3
263.07690	0.5
271.08072	1.0
289.09323	0.4
290.15991	0.3
292.67258	0.2
311.15768	0.2
317.57236	0.3
346.52225	0.2
353.08575	0.4
371.09372	0.3
389.10529	1.9
407.11642	0.6
533.27606	0.5
551.20288	1.1
551.29944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
54.68833	0.2
55.01863	1.1
55.05500	0.5
55.32742	0.2
57.03415	0.5
57.38368	0.2
61.02921	2.1
69.03428	1.8
69.95790	1.1
70.06583	0.7
70.35963	0.2
71.04993	1.2
72.08160	1.5
73.02913	2.7
73.28410	0.1
74.32850	0.2
81.03416	3.6
81.07035	0.2
83.01318	0.2
83.05009	0.8
84.00381	0.2
84.04474	0.2
84.08132	0.8
85.02900	4.3
86.09731	0.2
87.04469	0.2
91.03960	3.3
91.05468	0.3
95.04945	0.2
97.02889	2.3
98.09691	0.3
99.04451	9.8
101.02375	1.6
101.06036	0.3
103.03951	1.8
103.05447	0.3
105.07043	0.2
109.02879	6.9
110.02384	0.3
111.04453	0.2
115.03933	1.0
118.04192	0.2
119.03413	3.8
119.04905	0.5
127.03912	100.0
128.04231	0.4
131.04926	0.5
135.04424	0.2
137.02426	0.2
137.04449	2.4
137.09653	0.2
145.04956	2.8
147.04401	2.3
148.04800	0.3
157.04979	1.5
161.04454	7.1
161.05870	0.3
163.06094	0.2
167.07008	0.6
169.04919	0.2
187.05983	1.4
193.08502	0.2
199.05991	0.6
203.05470	1.4
205.07043	0.9
206.04474	0.2
224.68434	0.2
227.05510	3.2
229.07005	0.3
235.14409	0.2
245.06572	6.4
253.07082	0.4
263.07602	2.0
269.06522	0.2
271.08139	1.5
289.09125	0.5
330.78732	0.2
353.08597	0.3
371.09952	0.3
389.10583	2.2
407.11755	0.5
551.19116	0.6
551.26642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.5
53.53247	1.3
55.01867	8.2
55.05513	2.5
61.02907	2.1
69.03417	4.9
69.07063	2.6
70.06567	4.2
70.59598	4.9
71.04973	3.0
72.08147	10.3
79.05477	3.2
79.92591	1.3
81.03404	3.4
81.07034	2.1
83.04966	2.8
84.08129	4.4
85.02901	9.0
86.09690	2.1
91.05463	3.4
93.06995	1.8
95.04973	2.3
97.02895	4.4
98.06016	1.5
99.04446	2.3
99.65123	1.3
101.43874	1.4
103.05480	2.6
105.07024	10.3
107.04923	2.9
108.08113	1.5
109.02841	4.2
109.06492	1.8
110.67912	1.7
111.04420	1.5
115.05467	3.1
115.15887	1.5
119.04922	6.5
119.08464	1.5
121.02864	5.2
121.06506	1.4
123.04418	1.3
127.03900	6.8
131.04883	3.2
133.02768	1.5
133.06474	8.5
133.10091	1.4
135.04436	7.2
137.02336	27.7
144.13821	3.8
147.04395	22.7
149.05907	1.6
152.07053	2.1
155.04868	2.0
158.59557	1.4
159.04367	2.4
161.02307	4.8
161.05974	10.7
163.03920	2.2
167.07034	4.5
173.05923	1.6
175.03879	2.8
177.01799	2.1
177.05478	2.9
179.03488	2.5
181.04831	2.0
181.06285	1.5
187.03860	3.0
189.01825	4.3
191.03351	5.5
191.07021	7.8
193.08566	7.0
195.02786	6.7
199.03923	2.6
201.05450	2.3
203.03386	14.4
205.04842	3.3
207.02823	6.4
207.06506	1.6
209.04178	1.6
213.05307	1.8
215.03288	6.9
215.10625	2.4
217.04970	5.0
218.11862	1.7
219.02954	2.7
221.04405	8.2
226.74286	1.7
227.03424	2.6
227.89154	1.4
229.04851	1.9
231.02834	1.9
233.04399	4.5
241.04942	3.0
243.02809	2.3
245.04344	3.6
262.97986	1.5
271.05927	2.0
273.03937	2.4
273.07101	1.4
283.05981	2.1
284.06723	2.2
286.04092	1.4
295.05969	5.3
297.07434	3.3
299.05423	5.7
300.06219	2.1
303.22791	1.9
307.05991	2.6
308.06677	1.8
309.07477	4.4
310.04767	11.4
310.07965	2.6
311.05444	48.6
312.06262	3.1
313.06952	5.4
321.07523	3.3
322.08444	2.0
323.05472	39.9
324.06186	10.1
325.07028	18.3
329.06631	3.4
333.07416	5.5
335.05411	5.9
335.09244	2.1
336.06161	8.2
337.07016	39.5
338.07721	5.0
339.05032	2.0
339.08643	5.3
341.06531	33.7
345.07639	4.2
349.06989	24.3
350.07758	4.6
351.04846	2.6
351.08624	16.3
352.05612	2.3
353.06509	35.7
355.07986	3.5
361.07025	15.7
363.08737	7.6
365.06506	42.8
365.10760	3.1
366.07172	1.8
367.08093	14.7
371.07501	2.7
375.08759	7.5
377.06482	26.1
378.07056	2.1
379.08020	19.1
381.09753	1.8
383.07507	12.2
389.06522	17.7
391.08014	11.9
393.09708	2.7
395.07581	56.2
401.08771	2.1
403.08121	9.3
405.09634	4.6
407.07532	39.7
407.12616	3.0
409.08994	5.3
413.08578	31.7
415.07950	5.4
419.07391	14.6
421.09036	8.8
425.08643	42.6
431.07965	10.7
433.09158	8.3
437.08563	4.8
443.09689	35.4
449.08661	23.7
461.09219	20.1
467.09708	32.0
479.09714	19.8
485.10751	63.5
497.10748	100.0
515.11816	96.8
533.12756	41.0
551.13464	19.1
551.20795	5.9
551.27740	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	549.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01859	2.1
55.05507	28.8
57.03433	4.2
57.07078	5.9
67.05499	30.4
69.03427	2.1
69.07065	26.9
71.04990	2.5
71.06358	1.4
71.08614	3.3
72.87175	1.0
79.05489	17.0
79.15444	1.1
81.03416	34.7
81.07053	32.7
83.04978	5.2
83.08614	27.3
85.02902	15.6
85.06554	2.2
85.10174	1.6
91.05473	15.5
93.07034	13.2
95.04971	14.0
95.08601	28.3
97.02891	1.4
97.06522	2.5
97.10159	9.9
99.08090	1.3
105.07040	9.5
107.04972	2.1
107.08592	7.9
109.06532	2.9
109.10142	12.0
111.04384	1.2
111.08088	6.2
111.11749	2.6
119.08574	9.3
121.06482	1.3
121.10140	10.1
123.11719	4.1
125.09660	1.6
125.13262	1.2
129.07025	5.0
131.08562	4.3
133.10118	6.8
135.11697	4.7
142.07755	1.9
147.07976	1.4
147.11679	5.1
149.09645	2.7
149.13239	1.8
151.14690	1.3
157.10136	4.7
163.14848	1.8
165.12767	2.1
175.11139	6.8
193.12234	28.7
211.13278	39.0
247.24161	1.6
249.14851	1.3
265.25287	5.1
267.13416	1.4
267.15805	5.9
339.28873	4.2
457.36569	1.8
531.40302	4.6
549.41492	100.0
550.42639	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	549.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.5
53.90197	0.2
55.01804	0.5
55.05461	0.4
57.03356	0.9
57.07022	0.3
60.04818	0.2
61.02846	0.9
61.74048	0.2
66.83852	0.2
67.05445	0.5
69.03343	4.5
69.06985	0.8
71.04903	0.8
71.05249	0.2
71.63499	0.2
73.02833	0.7
75.49156	0.2
79.05403	0.7
79.23188	0.2
81.03320	2.1
81.07048	1.4
83.08559	0.4
84.08066	0.4
85.02892	8.5
85.03355	0.4
85.06483	0.2
87.04361	0.7
91.05386	0.8
92.32662	0.2
93.06952	0.7
95.04897	0.5
95.08511	1.1
95.11304	0.2
97.02880	3.1
97.06461	0.3
99.04354	0.8
103.05426	0.2
104.43373	0.2
105.06927	0.7
107.04882	0.3
107.08479	0.8
109.02853	1.5
109.10033	0.9
115.03879	0.3
117.03297	0.6
119.04865	0.4
119.08492	0.5
121.02747	0.4
121.06454	0.5
121.10027	0.6
123.04348	0.5
123.11642	0.3
127.03892	3.2
133.10017	0.5
134.03622	1.2
135.04327	0.4
135.07986	0.3
135.11612	0.3
137.05872	0.8
137.13168	0.2
145.04834	1.0
145.10033	0.3
147.04317	0.7
147.11618	0.2
149.02238	0.7
149.05847	0.8
149.09523	0.2
149.13222	0.3
151.03810	0.4
151.07481	0.3
159.11595	0.3
161.05963	0.4
163.07513	0.3
167.03279	0.3
167.07008	1.8
175.03781	0.5
177.05376	0.5
181.04886	0.2
181.06424	0.4
191.06984	0.3
193.08521	0.3
198.06633	0.5
207.06465	0.5
209.05914	0.3
211.07590	0.3
213.09279	0.2
226.06154	0.9
227.06923	0.3
237.05424	1.5
241.04990	0.3
241.08646	0.3
253.08525	0.2
254.05620	0.8
255.06418	0.5
265.04922	1.2
266.05569	0.2
267.06451	0.3
269.07928	0.5
280.07233	0.3
281.04483	0.7
281.07919	0.3
282.05173	12.8
283.05829	0.5
284.06705	1.1
295.05865	0.4
297.07523	19.0
299.05133	0.4
299.08807	0.4
301.06976	0.5
301.27203	0.3
309.07614	0.2
311.05554	0.5
312.06229	18.4
313.06912	1.1
325.06955	0.7
327.08572	100.0
328.09052	0.5
336.10019	0.2
337.06982	0.3
339.08353	0.5
341.09952	0.3
351.08395	0.8
351.25104	0.3
367.08002	0.3
369.13306	48.3
370.13669	0.2
381.24316	0.3
387.14349	24.7
403.10056	0.4
411.14731	0.3
415.22171	0.2
489.13840	9.3
505.31042	0.2
514.93652	0.2
517.18207	0.5
531.18579	7.0
531.30658	0.3
549.19574	4.1
549.30872	0.5
574.13354	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	549.1601
Annotation	Mollupentin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
53.03933	4.2
53.47846	2.2
55.05513	3.3
56.05049	2.3
57.03422	10.3
59.04992	8.8
61.02919	6.6
65.03932	4.4
67.05505	13.5
68.99799	2.2
69.03069	4.5
69.03427	61.1
69.07055	6.4
70.06572	9.3
71.04658	3.0
71.04980	16.3
71.29626	5.4
72.08151	15.4
73.02925	4.5
75.04485	2.9
79.05481	10.7
81.03405	15.1
81.07053	20.1
83.04960	9.0
84.08139	6.8
85.02411	4.6
85.02899	59.9
85.06529	13.2
86.06021	2.5
86.09702	3.8
87.04460	3.2
91.05473	12.8
93.07038	11.9
95.04961	6.9
95.08601	9.9
96.08961	2.6
97.02897	21.0
97.06522	5.3
98.09686	6.6
98.97573	2.7
99.04443	6.4
101.06030	3.2
103.05445	2.3
105.03389	2.3
105.07001	12.6
106.04239	2.9
106.67789	2.8
107.04951	10.2
107.08556	11.9
109.02870	16.7
109.06489	7.5
109.10161	11.2
111.04414	3.9
114.09166	3.2
117.07001	3.0
119.04922	19.0
119.08599	10.6
121.02865	45.8
121.06483	3.0
121.10125	9.4
123.04417	11.6
123.08084	7.3
123.11734	3.4
125.09686	3.1
127.03919	36.3
128.04207	3.0
129.05441	3.5
131.04898	3.4
131.08574	4.4
133.06476	7.3
133.10117	10.2
135.04424	3.6
135.08096	3.0
135.11678	3.9
137.02341	5.2
137.05977	11.5
137.09657	2.8
138.05394	3.0
139.03925	4.9
139.07497	3.2
145.02846	9.0
145.04959	12.6
145.06526	2.3
145.10130	5.6
147.04411	31.4
147.11670	9.9
148.04759	8.1
149.05966	8.5
151.03905	7.0
151.07562	8.7
152.04243	5.0
153.01830	3.2
153.05438	2.7
157.10159	3.0
159.04411	3.3
159.11714	3.0
161.05972	7.2
161.09654	3.3
163.03854	5.2
163.07535	3.0
163.11162	5.7
165.01875	3.3
165.05487	4.1
167.07021	19.7
173.05946	3.8
175.03893	4.8
177.01878	2.8
177.05444	18.7
181.04913	3.1
183.02872	3.5
189.01836	6.6
189.12688	2.7
191.03374	6.6
191.14311	4.5
193.04880	3.2
193.08643	5.6
195.02907	8.0
201.05472	3.9
203.03363	9.0
207.02921	6.8
207.06511	8.0
207.13792	19.6
209.08041	4.0
209.15300	4.0
215.03465	3.7
215.07080	3.8
217.04910	8.3
219.02892	4.5
219.06435	2.9
221.04482	7.9
225.14815	4.2
229.04970	4.9
231.06685	4.6
233.04395	4.3
236.12868	3.9
237.13101	4.5
245.04346	4.5
253.04909	3.1
255.06549	3.7
257.04504	5.4
264.54410	3.0
265.04956	2.5
267.06509	7.7
268.07257	6.0
269.04425	5.0
271.05984	66.2
273.04111	3.1
279.06448	9.0
281.07990	5.9
283.06006	44.6
284.06659	6.5
287.05505	5.4
292.07257	3.9
293.08078	9.6
294.05069	16.9
295.06021	53.9
296.06665	4.8
297.07501	21.0
299.05420	6.9
301.07120	17.6
305.08170	5.0
306.08978	3.8
307.06003	49.9
307.09396	3.9
308.06787	17.2
309.04007	4.7
309.07452	31.6
311.05484	59.0
311.08902	5.1
313.07022	36.9
317.07867	2.9
319.05978	6.9
320.06696	6.3
321.07556	52.9
322.08221	9.0
323.05527	5.3
323.09097	9.6
325.07040	49.5
329.08243	2.5
331.09421	3.7
333.07629	19.8
334.08325	5.1
335.09036	18.7
336.06125	3.6
337.06995	83.4
339.08514	9.8
343.09109	4.5
345.03018	4.6
345.07593	6.4
347.09106	11.2
349.07019	47.2
349.10449	2.8
351.08609	38.0
355.08359	8.4
359.09177	6.5
361.06998	19.3
362.07709	4.1
363.04236	4.8
363.08539	25.8
367.08017	43.8
369.09500	16.8
373.06931	10.3
375.08716	27.3
377.10049	10.2
379.08060	54.7
381.09689	3.0
385.09003	21.0
387.09683	17.7
387.19928	3.5
389.10330	3.3
391.08060	33.6
393.09531	19.1
397.09518	3.3
403.10461	36.4
405.09717	36.8
409.09070	44.2
411.10846	17.2
413.09940	4.2
417.09579	4.5
421.08868	5.0
423.10696	25.8
427.10257	32.2
429.09937	5.7
431.11157	3.9
433.09088	13.9
435.10406	4.1
441.11560	15.4
445.11285	16.1
447.10669	11.9
451.10098	16.9
458.29694	2.6
459.10831	20.9
459.30219	4.0
465.11722	18.9
469.11264	32.0
473.10901	6.2
477.11868	25.0
483.12720	19.3
489.06995	6.0
495.12799	100.0
507.07968	8.8
513.13898	88.0
513.20441	1.7
513.21735	3.2
531.14795	31.9
549.14819	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1601
Annotation	(2R,3R)-3,5,7,4'-Tetrahydroxyflavanone 7-(6-[4-Hydroxy-2-methylenebutanoyl]glucoside)
Peak:m/z	Relative Intensity
57.03426	0.1
57.96691	0.1
65.03938	0.1
67.01854	0.3
68.99491	0.1
68.99828	0.2
69.03419	0.2
69.48092	0.5
71.04999	0.5
72.08136	0.1
72.58184	0.1
81.07065	0.1
83.04980	0.1
85.02901	1.0
87.88679	0.1
91.05465	0.4
93.07017	0.1
95.05022	0.1
97.02886	0.2
99.04422	0.1
103.03924	0.2
104.04259	0.1
105.41144	0.1
109.02811	0.1
111.04438	0.1
115.03962	0.1
119.04941	1.4
121.02865	0.5
127.03895	0.4
127.04699	0.1
129.01785	0.1
129.05499	0.2
137.05971	0.2
140.01959	0.1
145.02817	0.4
145.04927	0.1
147.04401	0.1
147.06548	0.1
153.01820	3.5
161.05931	0.1
163.03864	0.4
163.05974	0.1
163.84111	0.1
165.05542	0.1
167.07043	0.2
171.02899	0.7
187.03908	0.1
196.88446	0.1
197.06044	0.1
203.07007	0.1
225.05434	0.3
229.04977	0.2
231.20013	0.1
243.06519	0.2
270.05286	0.1
271.05994	100.0
272.06284	1.0
286.04565	0.1
301.07019	0.4
327.08765	0.2
367.08072	0.1
403.10168	0.4
513.29736	0.1
549.15558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1596
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
55.05504	3.5
61.81785	1.8
64.90730	1.7
69.03416	6.0
69.07051	1.9
69.53355	14.5
70.06571	8.1
72.08145	16.3
73.02914	2.4
74.06077	1.6
81.03390	6.2
84.04478	2.3
84.08121	3.6
85.02901	16.1
86.09688	3.8
87.04481	1.9
91.05452	4.3
95.04968	3.0
97.02895	10.3
98.06026	2.4
98.21400	4.3
98.59021	1.8
103.03913	2.8
105.07043	2.2
107.04936	2.9
109.02835	5.5
110.02405	2.1
111.04442	3.2
115.08677	3.6
119.04941	6.0
119.08528	2.0
121.02855	45.5
121.06450	2.3
122.03191	5.4
123.08028	2.2
127.03896	14.7
128.04277	3.7
131.04897	2.7
133.10117	3.7
135.08022	1.9
138.09140	2.0
140.07019	2.6
145.02873	2.6
145.04924	3.3
147.04408	21.7
148.04778	3.4
149.09573	2.0
152.07037	1.8
163.11072	2.9
165.54912	1.8
167.07043	3.4
171.04332	2.2
177.05350	1.8
183.98679	2.6
189.12668	2.6
191.03448	2.1
191.14282	3.3
195.02937	2.3
197.06084	1.9
203.03416	3.5
207.13770	19.5
217.05081	2.4
223.07581	1.9
225.14874	2.2
233.04317	2.1
252.07887	4.2
254.09198	2.0
255.06494	16.5
258.73807	1.9
265.08649	2.1
267.06479	4.3
268.06961	2.9
275.06778	2.4
277.08667	3.4
279.06537	40.2
279.09686	1.8
280.07288	6.1
281.08078	19.9
282.08682	5.1
285.07330	3.4
290.09338	2.1
291.06448	7.4
292.07291	4.5
293.08044	25.0
295.05939	16.6
295.09055	2.8
296.06201	14.5
297.06741	17.2
298.07562	2.4
301.07013	4.0
302.09494	2.2
304.07101	2.2
305.08005	18.1
306.08713	4.8
307.05905	9.9
307.09583	11.2
308.06656	8.7
308.09744	3.2
309.07434	46.0
310.07715	5.6
311.08337	5.1
317.08081	17.9
318.08878	3.9
319.05942	4.1
319.09583	13.1
321.07578	18.9
322.07953	9.9
323.08670	18.3
324.09018	2.2
325.06891	7.1
326.07391	9.6
327.07404	13.4
329.08072	2.2
331.09610	5.3
333.07446	19.1
333.11108	3.7
334.07947	5.6
335.08868	16.8
337.06702	5.5
337.10373	8.6
338.07257	4.5
339.08383	26.1
345.07483	22.3
346.08075	3.6
346.63635	2.1
347.08951	17.0
348.09384	2.5
349.06827	9.0
349.10629	6.3
350.07220	8.1
351.07935	23.5
352.08865	4.5
353.09320	7.5
359.09177	4.3
361.06668	3.7
361.10648	4.2
362.07089	4.5
363.08441	52.2
364.08871	4.3
365.09546	10.7
369.09073	3.6
371.09064	3.5
375.08365	21.7
377.09827	7.3
379.08081	8.3
380.08527	8.5
381.08746	26.7
385.10461	5.0
387.08621	8.1
389.09775	5.5
391.07996	8.7
392.08447	3.8
393.09293	52.6
399.08688	4.0
401.09705	3.6
403.11646	6.8
405.09293	8.4
407.10910	2.3
409.09048	8.0
410.09308	6.6
411.10120	41.1
417.09537	15.9
419.10498	3.6
423.10504	9.8
427.10178	10.5
428.10513	12.6
429.11069	61.4
431.11145	3.5
435.09930	10.0
441.11194	8.3
447.10574	11.6
453.11307	3.4
459.11230	11.5
465.11554	20.8
471.12540	3.3
477.11566	21.2
483.11917	20.7
495.12665	40.3
501.12982	10.4
513.13342	100.0
514.13940	2.5
531.14661	80.1
549.15729	92.1
549.30627	7.2
550.15936	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	549.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.90834	0.3
55.01867	2.7
55.05492	0.6
55.61329	0.3
57.03438	6.0
57.03702	0.8
59.04966	0.7
61.02894	1.3
62.16172	0.3
65.03924	0.5
65.83804	0.3
67.05473	0.6
67.73026	0.3
68.99777	1.5
69.03433	3.4
69.68242	0.8
69.68643	2.2
71.01316	0.7
71.04988	36.2
71.81252	0.4
72.08151	0.7
73.02896	0.9
75.04436	1.5
79.05462	1.1
81.03375	0.6
81.07013	0.4
83.04966	1.2
84.08117	0.3
85.02897	40.1
87.04439	0.7
91.05438	1.3
92.99757	0.6
93.03467	0.4
93.06981	0.4
95.04951	0.8
97.02896	2.0
103.05427	0.7
105.06992	0.9
106.04111	0.8
107.04920	1.3
109.02825	0.9
109.10137	0.6
111.04396	1.2
119.04936	3.0
121.01974	0.7
121.02849	12.0
125.69825	0.3
127.03869	1.4
129.04588	0.7
129.05467	7.2
129.82547	0.4
131.04880	1.5
133.06439	0.8
134.03627	0.4
135.04353	0.4
137.05934	0.5
141.01759	1.0
141.03812	0.4
145.02820	3.3
145.43527	0.4
146.61954	0.4
147.04361	1.4
147.06503	1.3
149.02309	0.7
149.05940	1.4
150.41943	0.4
151.07484	0.5
161.05960	1.7
163.03906	5.0
165.01830	6.9
165.05525	0.5
167.03400	2.5
167.06996	1.1
169.02879	0.7
175.03891	1.4
177.01813	1.4
177.05466	4.5
179.03348	1.6
179.07008	0.4
179.10805	0.4
181.05077	0.7
183.02902	5.4
187.03859	1.6
189.01811	0.4
191.03397	1.5
193.04890	1.3
193.08597	1.2
195.02884	2.2
197.06143	0.4
203.03366	3.6
207.02884	1.5
207.13705	0.5
209.00752	0.4
209.04364	0.6
213.05313	0.6
221.04443	2.7
229.04977	2.2
231.02808	2.0
239.07074	1.1
241.04857	1.0
241.14262	1.1
249.03935	2.2
253.08463	0.5
255.06512	1.2
267.06479	7.6
269.04529	0.5
269.08011	0.4
270.05151	2.7
271.05978	6.6
273.03903	0.8
279.06339	3.3
281.04889	0.7
281.08072	8.7
283.05984	81.0
284.06738	8.3
285.07501	0.9
286.04611	0.5
293.07977	5.1
294.05164	1.0
295.06012	14.8
295.09415	0.8
296.06558	0.8
297.04007	1.0
297.07513	13.9
301.07108	3.6
305.07956	2.5
307.06012	5.5
308.06787	1.7
309.03986	1.6
309.07523	24.8
311.05438	3.5
311.09137	4.5
313.07022	59.8
314.07492	0.9
319.06064	0.5
320.06683	0.7
321.07547	38.1
322.07999	0.8
323.05612	0.9
323.09021	0.6
325.07047	9.2
331.06183	0.5
333.07538	0.4
335.08932	0.4
337.07022	45.3
338.07275	0.5
339.08582	4.1
343.08408	0.4
347.09097	0.6
349.07031	39.8
350.07391	0.7
351.08615	1.1
351.25208	0.4
363.08466	0.8
367.08093	87.9
368.08539	1.4
375.08502	0.8
379.08127	1.1
381.09442	0.5
385.09143	46.3
386.09592	0.7
387.10251	0.7
391.07816	0.5
393.09595	0.8
403.10211	100.0
404.10449	1.8
405.09796	0.9
409.09265	1.2
423.10635	1.8
427.10327	1.1
445.11484	0.8
447.10773	0.6
451.10004	0.7
459.11084	0.6
465.10901	0.5
469.11273	1.5
477.11935	0.7
483.12698	0.7
495.12906	3.7
513.13812	3.8
530.83795	0.4
531.14789	1.3
549.15930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1599
Annotation	Isohemsleyanoside
Peak:m/z	Relative Intensity
53.03927	0.5
57.03453	1.1
60.93876	0.4
60.99736	0.4
65.03954	0.5
69.03445	1.5
70.06605	1.5
70.27568	2.2
71.05000	1.4
72.08164	0.8
72.11371	0.5
73.02966	0.6
79.01865	1.1
81.03429	1.2
81.07027	0.6
83.10254	0.6
83.78967	0.5
84.08154	1.4
85.02898	6.6
85.54453	0.4
89.06052	1.3
93.07062	0.9
95.04971	0.9
95.08583	0.7
97.02905	1.8
98.21460	0.5
99.04478	1.3
103.03934	2.3
105.03373	2.5
107.04977	0.5
109.02895	0.8
119.04985	2.2
119.08566	0.6
121.02850	10.2
123.04414	1.3
127.03889	5.6
127.04640	0.5
133.08646	0.6
137.02385	0.5
137.06006	1.7
145.02901	1.2
145.04968	1.6
145.10117	0.7
147.04459	1.6
151.03918	0.5
153.01881	0.6
163.03928	2.4
163.06058	1.7
167.03481	0.9
167.07051	2.1
167.81148	0.5
171.02934	0.8
177.01843	0.6
177.05466	0.8
179.03448	0.7
181.04979	0.9
183.02859	0.6
191.03413	1.0
193.05040	0.5
195.02921	0.9
197.06047	0.6
203.03357	1.4
205.05011	3.3
207.02882	1.2
209.04483	0.6
211.07596	0.7
213.05440	1.8
215.03346	0.8
217.04884	1.0
219.03070	0.5
221.04468	0.6
227.06845	0.9
228.07828	0.8
229.05019	1.1
231.02890	1.2
236.06137	0.4
243.06563	0.8
247.06010	1.6
249.03943	2.9
251.07059	0.7
255.06328	2.6
256.07217	4.4
259.05954	0.5
263.07126	0.5
268.07321	0.8
270.05264	0.6
271.05966	5.1
277.08694	0.6
278.05865	1.0
279.06543	7.4
280.07285	1.1
283.05991	35.7
284.06766	25.2
285.07581	1.9
291.06531	3.3
292.07288	0.8
293.08139	2.1
295.05957	9.9
296.06268	0.9
297.07559	20.9
298.04770	0.8
299.05481	0.8
301.07098	1.4
303.06555	0.6
304.07382	0.6
305.07974	4.3
306.08875	1.1
307.06000	2.2
307.09506	1.0
308.06757	1.7
309.07538	11.2
311.05499	2.5
311.09149	5.0
313.07019	54.0
314.07495	0.6
317.08078	2.1
318.08884	1.0
319.09625	2.2
321.07556	8.9
323.05484	1.0
323.08975	1.6
325.07001	7.2
327.08597	0.8
329.08124	1.3
333.07419	4.0
335.09186	2.2
337.07031	28.6
339.08603	6.0
343.08041	9.5
345.07541	2.2
347.09058	2.1
349.07086	5.1
351.08548	1.9
355.08243	0.9
357.07501	1.0
359.09082	0.6
363.08524	5.9
367.08081	54.9
368.08325	1.2
369.09799	0.9
375.08633	5.0
379.07748	0.6
381.09631	0.7
385.09119	26.0
393.09662	7.1
399.08719	0.7
403.10211	100.0
404.10687	1.9
411.10730	11.4
413.10147	0.8
417.09720	1.0
429.10147	0.7
441.11444	1.1
447.10663	0.6
459.11810	1.1
465.11746	3.0
477.12033	1.1
483.12531	2.7
495.12817	6.3
513.13708	4.9
531.14545	2.4
549.15857	27.8
550.15881	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1597
Annotation	Isohemsleyanoside
Peak:m/z	Relative Intensity
51.74327	0.7
54.84397	1.0
55.01867	1.7
57.03426	3.7
57.25825	0.8
69.60872	5.7
69.61276	1.8
71.04989	23.2
85.02894	20.5
85.03413	0.8
92.28684	0.9
121.02872	8.4
129.05478	3.3
145.02875	1.6
163.03897	3.6
165.01837	3.1
167.03355	1.2
170.41205	0.8
183.02943	1.9
187.03940	1.4
189.96417	0.9
203.03438	1.3
205.04996	0.9
230.04668	0.9
231.02843	1.1
256.07541	1.1
267.06540	4.2
271.06018	5.3
279.06528	1.7
281.08005	4.9
283.06003	56.2
284.06802	7.8
291.64941	0.9
293.08096	1.7
295.05991	9.1
297.04022	1.3
297.07523	11.4
307.05984	3.4
309.04013	2.0
309.07513	19.4
311.09033	2.3
313.07040	40.0
321.07571	21.8
325.07068	7.3
337.07016	50.0
339.08505	5.1
343.08118	2.6
349.07007	22.7
367.08090	66.0
385.09213	25.8
403.10205	100.0
404.10715	1.2
465.41882	1.0
549.16028	10.2
560.33099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1596
Annotation	Isohemsleyanoside
Peak:m/z	Relative Intensity
53.03951	0.9
55.01883	2.6
55.05500	2.3
57.03429	8.1
58.07549	1.1
58.79723	0.9
67.05452	1.3
69.03416	2.8
70.06587	1.8
71.04985	58.7
71.16841	1.0
72.08137	3.3
73.02927	1.6
75.04478	1.9
79.05471	1.7
81.03421	1.3
81.07049	2.0
83.04972	2.2
84.08150	1.1
85.02898	64.9
85.06528	1.2
87.04473	2.0
91.05421	1.1
93.07051	1.0
95.04975	1.6
95.08589	1.2
97.02895	4.8
99.04486	1.1
105.07001	1.6
107.04922	1.5
107.08587	1.1
109.02848	1.3
109.10125	1.8
110.02387	1.0
111.04415	2.2
119.04934	4.7
121.02864	14.9
123.08049	1.0
124.07574	3.0
127.03896	9.2
128.04185	1.3
129.05455	12.1
131.04903	2.9
137.05943	2.2
145.02841	4.9
145.04973	1.4
147.04399	4.8
147.06532	2.2
149.05966	1.3
151.07550	2.4
152.07066	7.0
156.71089	1.1
163.03908	5.6
165.01820	6.1
167.03365	3.1
167.07054	2.7
175.03946	2.1
177.01855	1.5
177.05550	1.1
179.03419	2.3
181.05020	2.0
183.02863	5.8
187.03911	2.0
191.03430	1.4
193.04932	2.0
195.02872	2.5
203.03372	3.4
207.06401	1.3
207.13829	3.5
221.04382	2.0
229.04842	3.1
248.33020	1.0
249.03960	1.6
255.10164	2.0
267.06473	6.6
270.05283	2.8
271.05969	9.4
271.24036	1.0
279.06519	3.4
281.08032	12.0
283.05984	85.1
284.06628	8.6
293.08069	4.1
294.05215	1.4
295.05960	14.0
297.07495	14.5
299.05286	1.3
301.07111	1.2
305.07928	2.9
307.06018	6.4
309.07532	35.0
310.07779	1.1
311.05673	1.3
311.09119	4.5
313.07034	62.9
314.07245	2.0
315.04614	1.4
321.03748	2.0
321.07532	41.5
325.07034	10.5
337.07013	72.5
338.07462	1.4
339.08701	5.8
342.66766	1.2
349.07019	40.5
350.07080	1.2
367.08093	100.0
385.09116	45.6
387.13843	2.0
403.10214	85.7
459.11929	1.3
495.12335	1.2
513.14197	1.7
516.75916	1.2
531.14801	2.1
549.16711	3.7
549.31348	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	549.1598
Annotation	Isohemsleyanoside
Peak:m/z	Relative Intensity
53.03939	1.0
53.83845	0.4
55.01872	0.7
55.05503	0.6
57.03428	1.7
62.94806	0.4
65.03947	0.7
65.65112	0.5
67.05514	1.0
68.99809	1.0
69.03409	2.5
69.07071	1.5
70.06583	0.9
71.04982	5.4
71.05288	0.4
72.08150	1.7
73.02921	0.8
73.24681	0.5
79.01866	0.8
79.05524	0.5
81.03405	3.7
81.07051	2.0
83.04967	1.3
84.08158	1.2
85.02897	10.4
85.06551	0.7
86.03249	0.5
86.09723	0.6
87.00828	0.6
87.04482	0.8
89.06015	2.5
91.05486	2.0
93.07050	1.3
95.04982	1.1
95.08600	1.2
97.02875	5.8
97.06533	0.5
99.04461	2.0
103.03944	2.6
104.04324	0.7
105.01888	0.6
105.03371	2.4
105.07030	1.8
107.04956	1.0
107.08611	1.1
109.02862	3.1
109.06495	0.8
109.10139	1.1
111.04459	0.9
117.07022	0.5
119.04916	2.5
119.08618	0.5
121.02858	9.7
121.06452	0.8
121.10127	1.2
123.04416	2.2
123.08057	1.3
123.11722	0.7
127.03899	10.1
127.04767	0.6
128.04286	1.5
129.04442	0.7
129.05486	1.0
131.04900	0.9
131.08574	0.7
133.06425	0.5
133.10117	0.9
134.03610	0.6
135.11667	0.5
137.02350	0.5
137.05954	2.3
139.03909	0.9
143.04951	0.5
145.02849	2.3
145.04919	2.6
145.06520	0.7
147.04417	1.9
149.02304	1.0
151.03889	0.9
151.07567	0.5
153.01804	3.8
153.05464	0.7
157.10101	0.6
159.02911	0.6
159.04378	0.6
161.05946	1.0
163.03909	2.2
163.06046	1.5
165.01811	0.8
167.03409	0.7
167.06995	5.4
171.02919	0.6
173.06023	0.9
175.03862	1.2
175.14787	0.5
177.05467	2.0
179.03410	0.7
179.07085	0.6
181.04985	0.6
183.02852	1.1
187.03964	0.9
187.07500	0.5
193.04985	0.5
193.08612	0.8
195.02873	0.8
201.05510	0.7
201.09038	0.6
203.03430	0.6
203.07059	0.6
205.04976	3.0
207.02780	1.2
207.06583	1.3
213.05540	2.3
215.07024	1.4
217.05025	2.3
219.02885	0.7
227.06982	0.9
229.04979	1.4
231.02902	1.6
241.04977	1.8
243.06416	2.5
247.06094	1.5
249.03888	2.7
251.07028	0.6
253.04897	0.7
255.06421	2.5
256.07242	3.6
257.16513	1.7
259.06012	0.6
267.06467	0.9
269.04437	2.9
270.05164	0.8
271.05981	41.2
272.06281	0.8
273.07526	0.9
279.06522	1.1
280.07050	0.7
281.08157	1.1
283.05984	38.9
284.06750	22.9
284.09940	0.7
285.07510	2.2
286.04700	3.3
287.05463	9.7
287.08472	0.5
293.08084	0.5
295.05997	10.0
295.09402	0.8
297.07544	20.3
299.05478	1.1
301.07037	20.8
301.10519	1.0
305.08054	1.6
307.05988	1.5
307.09537	0.7
308.06769	1.9
309.07562	6.9
311.05484	1.9
311.09143	4.9
313.07019	56.5
314.07446	0.8
321.07532	4.5
323.05756	1.0
325.06976	6.7
327.08707	1.3
337.07010	30.9
338.07568	0.9
339.08624	6.2
343.08069	10.2
349.07016	5.1
351.25366	0.5
355.08160	0.9
367.08081	61.2
368.08411	1.2
369.09586	1.7
385.09146	27.5
386.09225	0.9
387.14377	0.9
403.10193	100.0
404.10706	2.4
429.09531	0.8
443.13568	0.5
531.14948	1.5
549.15851	31.5
549.24097	1.0
549.32965	1.0
550.16290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.3
55.01836	0.4
55.05465	0.5
56.40153	0.3
57.03400	0.6
65.03886	0.3
67.05447	0.8
68.99754	0.6
69.03374	1.1
69.07027	0.7
70.06517	0.5
71.04928	1.0
71.63548	0.4
72.08095	0.8
73.02848	0.4
75.51161	0.3
79.05458	0.7
81.03359	1.3
81.06998	1.1
83.04922	0.7
85.02892	2.7
85.06467	0.3
86.09672	0.7
91.05415	0.9
93.06973	0.7
95.04900	0.7
95.08527	1.0
97.02883	1.9
98.05985	0.3
99.04384	0.4
101.05965	0.4
105.06955	1.1
107.04855	0.6
109.02866	1.6
109.10085	0.4
111.04436	0.4
113.79649	0.3
119.04916	0.7
119.08536	0.5
121.02856	4.1
121.10023	0.5
123.00745	0.6
123.04415	1.4
124.01465	0.4
127.03095	0.3
127.03905	3.9
128.04187	0.5
131.04852	0.8
133.10051	0.5
134.03629	2.0
137.05969	1.4
139.03755	0.4
145.02768	0.4
145.04895	0.3
145.06473	0.4
145.10072	0.6
147.04330	1.1
149.02267	1.2
153.01810	7.0
157.06433	0.4
161.02173	0.4
161.05956	0.4
163.03825	0.4
165.01810	0.5
167.07036	1.9
170.02054	0.8
173.13225	0.3
175.03844	0.5
177.05374	0.5
179.03355	0.4
181.04910	0.5
183.02809	0.4
185.05931	0.5
191.06895	0.3
193.04744	0.3
197.05930	0.5
199.03842	0.3
201.05443	0.4
205.04922	0.9
207.03053	0.3
207.06534	0.4
212.04590	0.3
213.05466	2.7
217.04860	0.3
229.04929	3.8
229.13405	0.4
230.05753	1.8
241.04918	8.4
243.06477	0.6
245.08002	0.9
247.05998	0.6
249.03917	1.1
255.06467	0.8
256.07214	1.4
258.05191	0.8
269.04416	11.7
270.05179	0.7
271.05954	8.1
277.08557	0.3
283.05984	14.0
284.06763	9.8
284.09897	0.4
285.03873	1.1
285.07373	0.6
286.04684	14.0
295.05951	3.4
297.04150	0.4
297.07504	8.6
299.05527	0.9
301.07031	100.0
302.07343	0.8
305.08069	0.4
307.06030	0.7
308.06772	0.9
309.07574	2.6
311.05447	1.4
311.09067	2.6
313.07034	21.8
321.07520	2.2
323.05371	0.7
325.07016	2.9
337.07007	10.9
337.11111	0.5
339.08606	2.3
339.12384	0.4
343.08105	4.0
349.07120	2.1
351.08258	0.5
367.08093	22.9
369.09204	1.6
385.09128	8.1
387.10483	0.5
403.10196	30.5
428.14487	0.4
459.12909	0.5
463.12408	0.6
531.14764	1.4
548.35138	0.6
549.16052	28.4
579.68976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1238
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
52.70921	0.1
53.03928	0.2
55.05499	0.2
56.67316	0.1
64.05048	0.1
64.95256	0.1
67.05486	0.3
68.99791	0.3
69.03421	0.7
69.07055	0.2
70.06571	0.2
71.04970	0.3
71.62867	0.2
72.08145	0.6
79.05479	0.3
81.03413	0.4
81.07052	0.4
83.04966	0.2
84.08141	0.2
85.02892	1.2
85.06546	0.2
86.09691	0.4
87.00812	0.2
89.03960	0.1
89.10804	0.1
91.05462	0.3
92.07106	0.1
93.07009	0.2
95.04954	0.3
95.08598	0.3
97.02885	1.0
98.06026	0.1
99.04444	0.4
101.06039	0.1
103.05453	0.2
105.01841	0.2
105.07002	0.3
107.04929	0.3
107.08598	0.4
109.02882	0.7
109.10133	0.3
111.00791	0.1
111.04439	0.1
111.08041	0.1
115.05455	0.1
117.06988	0.2
119.04931	0.3
119.08594	0.2
121.02837	0.3
121.06513	0.2
121.10144	0.1
123.00771	0.4
123.04391	0.3
124.01560	0.3
125.05949	0.1
127.03902	3.2
127.04790	0.2
128.04236	0.2
129.03352	0.1
131.04924	0.4
133.10127	0.2
134.03629	2.0
137.05998	0.9
140.38448	0.1
141.06848	0.2
145.02916	0.2
145.04962	0.4
145.06471	0.3
145.10080	0.2
147.04395	0.9
147.11588	0.2
149.02342	1.2
149.05945	0.3
151.03873	0.2
151.07504	0.2
152.01006	0.3
153.01814	6.6
153.05392	0.2
157.06474	0.3
159.02917	0.1
159.04326	0.1
161.02332	0.3
161.05981	0.2
163.03912	0.2
167.07028	0.8
170.02094	0.9
171.04335	0.2
175.03922	0.2
177.05437	0.4
181.06511	0.1
181.08607	0.1
185.05991	0.4
187.03772	0.2
191.06975	0.2
193.08589	0.2
197.05988	0.3
199.03871	0.6
201.05339	0.2
202.06232	0.3
205.08652	0.1
207.06558	0.2
212.04738	0.2
213.05438	1.9
215.03514	0.1
215.06923	0.3
217.05096	0.1
227.06999	0.2
229.04938	3.2
230.05748	1.9
240.04218	0.2
241.04938	9.1
245.08124	1.2
255.06273	0.1
257.04477	0.3
258.05280	0.9
269.04437	12.9
270.04898	0.2
271.05997	4.6
273.07550	0.4
277.08667	0.1
282.28027	0.1
283.05869	0.1
285.03903	1.0
286.04694	13.9
287.05133	0.3
297.04010	0.2
299.05490	0.2
301.07034	100.0
302.07428	1.1
309.07327	0.2
311.05399	0.2
351.08148	0.2
353.10458	0.2
369.09668	0.5
389.12149	0.3
463.12341	0.5
464.89572	0.1
495.12668	0.2
513.12939	0.2
531.14618	0.4
548.34473	0.5
549.12061	1.6
549.19843	0.2
549.31348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01870	4.4
55.05520	16.1
57.03426	12.1
60.93961	2.1
61.02929	5.2
65.93791	2.3
67.05162	3.7
67.05498	45.2
69.03410	7.3
69.07066	16.2
69.53743	15.5
69.54175	6.8
71.04981	7.1
71.08666	2.7
72.08125	3.4
79.05485	42.6
81.03402	4.6
81.07050	49.6
83.04993	4.3
83.08620	10.1
85.02892	11.9
85.06528	4.9
91.03947	3.4
91.05464	42.3
91.70224	2.3
93.06468	3.7
93.07036	58.8
95.04958	9.1
95.08598	41.8
97.02888	9.3
97.06525	6.9
97.10157	6.4
98.20697	2.7
99.08099	4.3
105.07029	34.5
107.08587	36.5
109.02821	5.3
109.06491	5.1
109.10148	19.4
109.51243	2.4
111.08060	3.8
113.09689	2.7
115.05416	3.5
117.07002	16.3
118.87822	2.4
119.08569	29.6
120.37123	3.0
121.10138	37.7
123.08061	6.0
123.11697	5.9
125.09583	3.3
127.03912	8.0
128.06189	2.7
129.06982	2.7
131.08568	23.4
133.10126	31.5
135.11670	26.0
143.08568	8.6
145.10117	20.5
147.04387	4.6
147.11678	26.2
149.09627	3.6
149.13260	13.5
157.10121	6.6
159.11632	17.3
161.13229	13.2
163.11174	5.3
165.12741	2.5
171.11713	7.0
173.11835	3.2
173.13266	10.7
175.14769	6.7
177.12669	6.5
185.13275	5.7
187.14830	12.1
190.76782	2.4
199.14790	7.2
201.16385	5.6
213.16402	3.6
219.17429	5.8
221.18973	4.0
229.14290	4.4
241.19504	18.0
259.20541	35.1
269.17438	8.4
277.21579	40.8
333.24240	5.2
351.25256	100.0
377.91217	3.0
379.12064	2.9
393.13171	3.2
403.24606	2.8
411.14026	4.8
449.15182	2.8
456.30460	3.4
513.30396	3.6
548.35181	9.2
548.45038	6.9
560.38947	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82339	1.4
53.03938	2.9
54.72077	1.4
55.01863	2.4
55.05511	12.4
57.03436	17.0
61.02912	5.7
67.05165	2.5
67.05502	36.7
68.61752	1.4
69.03419	4.1
69.07068	15.5
69.89024	8.8
71.04990	6.6
79.05482	36.7
81.03434	2.2
81.07051	46.4
83.04970	1.6
83.08617	7.2
85.02895	6.0
85.06557	4.1
91.03947	1.9
91.05470	36.0
93.06461	3.0
93.07034	47.9
95.04964	6.4
95.08598	37.6
96.64891	1.9
97.02879	5.8
97.06546	2.7
97.10165	2.8
98.21440	3.0
99.08083	3.2
105.06304	1.7
105.07021	34.6
107.08590	29.1
109.06498	4.2
109.10142	13.9
111.08054	3.4
117.06994	12.8
119.08566	26.8
121.10138	31.6
123.08052	3.9
123.11726	2.5
125.09612	2.4
127.03857	1.8
129.06990	5.4
131.07077	1.9
131.08559	16.7
133.10127	24.2
135.08069	2.1
135.11681	24.2
135.53172	1.4
137.09593	2.2
143.08543	5.1
144.20279	1.4
145.10118	15.3
147.11665	23.3
149.09625	3.4
149.13271	11.3
151.11220	3.6
151.49239	1.5
157.10162	5.1
159.11685	15.5
161.13203	10.9
163.11104	2.6
163.14806	2.8
171.11671	5.8
173.13252	5.9
175.14774	3.8
177.12772	4.0
185.13312	5.8
187.14830	9.0
199.14835	4.3
201.16359	5.4
205.15910	4.8
219.17470	5.1
221.18968	2.8
229.14284	2.6
241.19466	15.3
259.20551	32.8
269.17566	6.2
277.21609	25.8
333.24142	5.7
351.25272	100.0
477.28384	2.6
495.29880	2.9
513.30402	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01871	1.2
55.05504	1.6
57.03427	1.9
59.04980	0.8
61.02915	1.9
67.05497	1.7
69.01838	0.7
69.03426	9.3
70.06574	1.9
71.04980	5.3
72.08135	1.7
73.02906	2.9
74.06110	0.6
79.05484	1.2
81.03412	13.5
81.07048	2.0
83.04969	2.6
84.08140	1.3
85.02897	60.2
86.09690	1.1
87.04465	1.8
91.05463	1.7
93.07047	1.1
95.04933	1.8
95.08605	1.2
97.02884	27.8
98.03212	1.9
99.04448	34.7
103.03933	83.6
105.07015	1.5
107.08551	1.3
109.02874	15.6
109.06492	1.7
109.10145	1.0
111.04414	1.1
115.03892	1.3
117.05500	0.7
119.04958	1.7
119.08588	2.4
121.02818	1.1
121.06535	0.8
121.10116	2.4
123.04417	1.5
123.08057	21.7
123.08943	1.4
127.03906	100.0
128.04247	6.4
133.10121	1.4
137.05954	1.5
145.04945	53.0
145.10092	0.8
147.04420	5.5
147.11668	0.9
149.09616	3.5
151.03871	0.8
151.07535	0.8
151.11171	2.4
155.32814	0.7
161.05939	0.9
161.13184	0.9
163.06004	67.5
167.07074	0.8
169.05038	0.8
171.31828	0.6
175.14851	1.3
177.05435	1.4
181.04935	0.8
181.12233	1.7
187.05988	5.8
189.12712	1.2
205.07028	4.9
205.12186	1.3
207.06447	1.3
207.13757	10.3
225.14851	14.6
229.75352	0.7
253.07167	1.1
271.05539	6.8
271.08505	7.1
284.06281	0.9
286.04709	1.9
286.07724	1.6
289.09201	8.0
295.05835	1.0
296.06387	1.9
301.07040	10.5
307.10220	21.8
308.06464	1.8
310.07852	1.5
321.07440	1.0
322.07892	1.6
326.07361	1.6
334.07916	1.4
337.07004	1.2
338.07520	1.9
350.07498	0.9
362.07251	1.5
367.11652	1.5
368.12012	5.8
380.08484	0.9
385.12991	1.2
386.12988	5.3
392.08215	1.2
410.09537	1.5
411.19934	0.8
477.20728	0.8
482.11700	2.8
494.12137	1.0
495.22147	2.3
512.12665	2.9
513.23572	1.1
548.18170	0.9
548.35175	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01859	3.1
55.05510	8.2
57.03422	3.1
57.07074	1.5
61.02920	5.6
65.03915	1.5
67.05496	6.9
68.99735	0.8
69.03419	17.0
69.07063	15.9
69.82102	3.9
69.82533	1.9
70.06583	3.7
71.01354	0.9
71.04977	3.2
72.08147	1.6
73.02914	2.4
79.05483	4.5
81.03416	5.2
81.07047	9.8
82.07375	0.8
83.01316	1.5
83.04975	14.5
83.08594	2.1
84.08150	6.5
85.02898	23.5
85.06537	3.1
86.06044	2.0
86.09684	1.6
87.04469	2.0
91.03938	3.2
91.05476	6.8
93.07034	9.5
95.01318	4.0
95.04961	6.2
95.08600	19.6
97.02884	16.3
97.06528	5.2
97.10174	7.9
98.03205	2.3
99.04432	5.1
101.05998	2.9
103.03951	1.2
105.07014	15.8
107.04955	2.8
107.08588	11.0
109.02878	7.1
109.06496	3.5
109.09442	1.3
109.10152	15.5
111.04420	2.7
111.08068	3.5
113.02335	1.2
113.06016	1.5
115.03924	1.7
116.83608	0.9
117.07001	2.4
119.04912	3.1
119.08570	37.9
120.09348	2.4
121.02867	5.5
121.06499	3.8
121.10129	20.6
122.03215	1.7
123.04410	9.0
123.08046	7.8
123.11691	7.7
124.04734	1.7
125.05978	3.4
125.09585	4.0
127.03909	35.4
128.04242	9.2
128.10709	1.8
129.06972	0.9
131.04907	1.2
131.08540	3.2
133.06482	2.1
133.10120	62.6
134.10876	1.4
135.04427	1.6
135.08052	5.8
135.11684	3.8
137.02335	1.0
137.05956	3.3
137.09599	2.9
139.03871	4.6
139.07538	1.3
141.01802	2.3
141.05452	3.2
143.03403	3.3
143.07094	0.9
143.08545	1.7
145.04951	3.9
145.10117	3.2
147.04382	4.6
147.08040	2.6
147.11670	23.9
149.06007	2.5
149.09599	1.0
151.03961	1.5
151.07510	4.1
151.29106	0.8
153.05457	5.3
153.09032	1.7
157.04947	5.9
157.10078	2.6
159.06529	2.9
159.11655	1.5
161.06004	1.7
161.09599	2.1
161.13240	10.6
163.03918	1.2
163.11133	1.2
165.05460	2.4
165.09084	1.4
167.07031	8.9
169.04932	1.4
169.08565	1.0
171.10123	1.8
173.09641	1.3
173.13261	4.3
175.03850	2.4
175.07520	1.9
175.14806	77.8
176.15565	7.2
177.03944	4.0
177.05412	1.5
179.07011	4.5
179.10678	1.0
180.08636	2.2
180.10208	3.8
181.04980	1.2
183.02896	0.9
183.06467	8.6
185.04416	2.4
185.08023	4.9
185.13234	1.5
185.15611	0.8
187.11131	0.9
187.14754	2.5
189.09058	3.5
191.10602	2.2
193.08517	1.2
193.15869	9.5
196.02864	0.9
197.08098	1.4
199.09538	1.1
203.03593	1.1
203.05495	4.6
203.14240	1.9
205.05002	1.2
205.08607	1.3
207.06502	3.1
207.10210	2.0
209.11719	1.2
211.06009	7.5
211.09575	1.8
213.07491	4.0
215.03519	2.0
215.05461	16.9
215.14307	2.1
217.05136	1.0
217.08556	1.8
223.06010	1.0
225.11247	5.2
227.14517	1.0
229.07051	26.8
231.08585	0.9
234.47777	1.0
235.09776	2.0
241.07080	1.6
243.08669	7.7
243.12256	0.9
253.10768	2.3
255.13835	1.8
257.10211	9.3
268.07156	1.3
269.15292	1.4
271.11737	33.1
283.06110	1.8
284.06427	1.1
287.16428	1.4
290.16110	1.3
294.05359	1.1
295.05994	5.4
296.06274	7.9
297.07071	1.4
298.07813	1.9
301.07104	1.5
305.17502	6.6
307.05933	2.4
308.06363	3.9
309.07407	2.7
310.04163	1.1
310.07916	2.5
311.05127	1.6
312.05923	2.0
313.06995	2.6
314.07452	1.4
318.08411	0.9
320.06274	1.4
321.07465	2.1
322.08017	1.8
323.05469	2.5
323.18384	1.2
324.05725	5.3
324.09204	1.1
325.07071	2.5
326.07574	4.9
332.06442	1.0
333.07578	1.1
333.16907	2.8
334.08008	2.6
337.07077	4.1
338.07452	2.6
349.07019	2.3
350.07452	4.7
350.11194	1.1
351.18002	100.0
352.09113	1.4
353.06412	2.7
354.06775	3.8
362.07388	2.8
363.08414	1.2
369.18951	4.0
374.07001	1.1
376.09070	2.2
378.06729	1.2
379.08139	1.6
380.08383	3.9
386.21701	1.3
392.08176	1.5
398.09140	1.8
403.10208	2.6
409.09039	1.0
410.09464	2.9
418.10406	1.2
422.09360	2.4
425.08859	1.1
426.08853	2.0
427.10092	1.4
428.10294	2.8
440.10522	3.7
444.10059	2.8
452.10434	1.4
458.11493	3.5
464.10556	1.2
476.10953	1.6
482.11542	4.7
486.10895	1.0
494.11496	3.7
495.12659	2.1
512.12579	10.5
513.13782	1.8
530.13702	4.7
548.15161	3.3
548.26721	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	548.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01850	2.8
55.05502	2.0
57.03442	3.7
57.03660	0.8
61.02908	3.3
67.05486	2.5
68.99796	0.9
69.03070	1.0
69.03419	13.2
69.07065	1.9
70.06567	1.8
70.36136	0.7
70.79716	0.7
70.97706	0.7
70.98043	2.0
71.01340	0.8
71.04339	0.7
71.04982	15.4
72.08140	0.9
73.02895	3.0
75.04490	1.0
79.05469	1.9
81.03406	14.9
81.07042	2.9
83.01381	0.7
83.04967	2.7
84.08136	1.8
85.02895	71.7
85.06512	1.3
86.09682	1.2
87.04449	1.2
91.05477	3.0
93.07024	2.3
95.04948	2.8
95.08585	2.4
97.02879	25.5
97.06535	1.4
98.03239	1.5
99.04441	35.1
101.06020	1.2
103.03928	80.6
105.03377	0.9
105.07014	2.6
107.04926	1.2
107.08593	3.2
109.02859	18.5
109.06504	1.8
109.10149	1.1
111.04445	2.0
115.03902	1.3
119.04936	2.4
119.08562	3.1
121.02841	4.1
121.06470	0.9
121.10132	3.2
123.04415	3.5
123.08052	23.6
123.11715	0.9
127.03901	100.0
128.04231	2.7
129.05455	2.3
131.04893	1.0
133.10101	3.6
135.08026	1.0
135.11719	0.9
137.05963	2.9
137.09615	1.7
138.05460	0.9
139.97008	0.9
145.04939	47.3
145.10118	1.9
147.04411	3.9
149.02301	0.8
149.05998	1.4
149.09601	4.3
151.07518	1.1
151.11166	1.8
153.01840	2.1
153.05463	1.9
161.05962	1.1
163.05995	68.0
163.11148	0.9
165.01903	1.4
167.07040	4.9
167.10635	0.8
169.04973	1.0
175.03920	1.3
175.14798	2.1
177.05414	1.9
181.04915	0.8
181.12247	1.8
183.02943	0.8
183.06430	0.7
187.06026	4.0
189.12741	1.7
191.14340	1.1
205.05228	0.9
205.06955	3.6
205.12103	1.1
207.06564	1.7
207.13792	8.3
225.14842	14.2
258.05161	1.2
267.06482	1.2
271.05832	28.4
271.08255	4.7
272.06400	1.2
281.07889	1.9
283.05991	19.8
284.06744	2.7
285.07477	1.8
286.04764	3.1
286.07953	2.6
289.09164	8.1
295.06018	4.4
297.07535	3.8
301.07004	15.1
301.10156	1.3
305.07999	0.9
307.06494	1.3
307.10172	20.6
308.06592	1.2
309.07486	7.6
310.08014	1.1
313.06979	15.8
314.07465	0.9
321.07535	9.8
325.06943	2.7
326.07516	1.3
337.07013	18.0
338.07492	1.7
339.08569	2.2
349.06985	9.6
367.08041	22.7
368.12027	3.9
385.09039	10.8
386.13171	3.4
403.10187	25.1
482.11191	0.9
495.21933	1.6
512.12524	1.6
513.23505	1.1
531.15631	0.9
548.14087	1.0
548.34790	3.3
549.15851	1.7
564.94147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
54.03485	0.7
55.01870	1.2
55.04239	0.6
55.05502	1.3
56.13982	0.4
57.03408	0.5
57.87422	0.6
58.06595	1.1
63.03435	0.4
65.35096	0.6
67.05501	0.6
68.99777	2.8
69.03419	2.4
70.06586	100.0
71.04975	0.9
71.06918	0.5
71.61046	0.5
72.08144	2.6
79.05496	1.4
81.03391	2.2
81.07047	2.0
82.27290	0.5
84.08144	1.6
85.02898	4.2
86.06075	3.5
86.09689	0.8
86.79160	0.4
87.04459	1.4
91.05460	1.5
93.07025	1.3
94.92567	0.4
95.04955	1.3
95.08570	0.5
95.65096	0.5
96.08106	0.7
97.02889	4.6
97.06532	1.3
98.03170	0.7
98.06054	0.6
98.09661	0.9
99.04440	1.7
100.07589	0.8
103.03943	0.6
103.05447	1.6
105.07001	0.5
107.04935	2.1
107.08607	0.6
109.02877	2.3
109.06522	1.0
109.10153	0.7
114.09177	0.4
119.04942	1.1
119.70693	0.4
121.02911	0.6
121.06507	4.0
123.04432	4.4
124.11221	0.7
125.07111	1.0
127.03909	16.1
128.04268	3.0
128.05043	0.5
128.10718	0.7
131.04895	1.0
135.04408	3.6
138.05501	0.6
140.07059	1.1
145.04942	0.6
147.04381	4.6
149.05969	9.7
159.04379	2.0
160.09642	0.4
160.10815	2.7
161.06003	0.8
165.05466	1.7
167.07031	0.8
175.07487	1.3
177.05452	80.6
178.05884	0.7
216.10306	0.6
234.11232	5.7
241.06914	0.7
242.09840	0.5
247.14403	3.6
262.13943	1.0
265.40735	0.5
290.16049	0.7
311.09036	0.7
329.10138	4.1
343.52908	0.5
491.15402	2.8
530.30060	0.8
548.20831	64.2
548.30927	16.6
549.20917	1.5
562.22937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3991
Annotation	Oogoniol 1
Peak:m/z	Relative Intensity
53.03938	4.4
53.23601	3.0
55.01857	4.6
55.05506	31.3
57.03413	9.3
59.14368	2.9
65.03919	5.6
67.05500	89.7
69.07062	24.7
71.04981	6.1
71.62413	3.8
71.67659	3.4
79.05491	44.0
81.07052	100.0
83.04964	5.5
83.08609	14.4
84.04579	3.2
85.06554	4.4
87.43414	3.5
91.05472	43.2
93.07040	60.2
95.04947	7.0
95.08600	63.2
97.06499	9.1
97.10174	9.4
105.07034	37.0
107.08589	45.2
109.01291	3.3
109.06522	4.4
109.10158	32.0
111.08057	6.6
117.07016	13.1
119.08563	32.0
119.30332	2.9
121.10137	28.9
123.08026	3.0
123.11713	8.5
127.03924	6.8
129.07043	5.3
131.08572	26.9
133.10133	28.2
135.11655	18.8
137.09558	3.1
137.13278	3.5
142.15854	3.0
143.08534	10.4
145.10092	16.8
147.11638	17.4
149.09732	3.7
149.13239	25.2
155.08495	4.8
157.10152	11.0
159.11696	25.0
161.13243	10.2
163.14883	4.5
165.12726	4.3
169.10065	5.3
171.11673	6.2
173.11813	3.6
173.13248	14.6
177.12756	5.6
185.13281	6.4
187.14740	8.0
195.13756	4.5
197.13100	3.8
199.14812	4.7
213.14613	3.9
238.80574	3.1
243.15736	3.7
243.21201	4.1
261.22061	8.4
267.15918	7.0
269.17502	27.1
274.05927	3.2
287.23877	4.7
301.25180	6.3
317.24820	4.0
335.25745	21.2
409.50769	3.4
419.32739	5.3
437.34311	16.7
455.35135	9.1
459.69339	3.6
473.36081	11.0
503.37283	4.8
511.37582	8.8
529.38892	95.5
547.39954	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	547.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54874	1.7
69.63607	13.8
70.06584	2.1
72.08150	10.2
81.59211	1.7
85.02895	2.4
90.75709	1.6
97.02869	2.7
97.61178	2.0
98.06054	1.8
118.06551	14.4
127.03911	4.8
132.08087	4.9
133.92995	1.7
142.06570	2.4
143.07381	2.1
144.08064	10.5
146.05997	58.8
147.04344	11.0
153.79352	1.7
159.09184	7.0
170.06017	2.2
188.07050	100.0
205.09702	55.4
235.14409	3.5
236.14417	1.8
237.02664	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	547.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01866	1.0
55.05504	1.4
57.03425	1.7
57.07076	0.5
59.04987	0.2
61.02909	0.4
65.03932	0.4
67.05495	2.0
69.03065	0.5
69.03423	6.3
69.07073	1.6
70.80280	0.6
71.01383	0.2
71.04983	2.2
72.08145	1.6
73.02914	0.6
77.03942	0.2
78.04676	0.3
79.05484	2.4
81.03417	4.0
81.07049	5.2
81.07525	0.5
83.01345	0.8
83.04973	1.8
83.08618	0.4
84.08138	0.5
85.02411	0.5
85.02903	6.2
85.06528	1.4
86.09694	0.3
87.04461	0.4
91.05467	2.2
93.03461	0.3
93.07047	2.4
95.04977	1.5
95.08605	2.9
97.02885	41.3
97.06506	0.7
97.10137	0.7
98.03205	0.9
99.04447	7.0
99.08131	0.3
103.03956	2.0
105.07034	2.5
107.04952	1.7
107.08583	2.7
109.02870	6.5
109.06505	1.6
109.10131	2.8
111.04437	2.4
111.08079	0.4
112.47402	0.2
114.10292	0.6
115.03928	5.0
115.05408	0.4
117.06989	0.7
119.04951	1.2
119.08593	1.5
121.02867	1.1
121.06515	2.0
121.10146	1.9
123.04408	1.9
123.08073	0.7
123.11669	1.4
124.05175	0.4
125.02362	0.4
125.05982	1.1
125.09601	0.9
126.52039	0.2
127.03906	100.0
127.11161	0.3
128.04247	2.3
129.05464	0.6
131.04893	0.7
131.08571	0.5
132.99876	0.2
133.06462	1.0
133.10120	1.1
135.04391	2.2
135.08043	0.8
135.11676	1.1
137.05960	1.1
137.09590	0.5
139.03871	1.7
139.07518	1.1
139.11191	0.5
141.05460	0.4
141.59985	0.3
145.02838	0.2
145.04944	2.4
145.10130	0.7
147.04391	5.1
147.07994	0.3
147.11674	0.9
148.04745	0.5
149.06010	1.5
149.09616	0.5
149.13269	0.5
151.03889	0.7
151.07527	1.2
151.11217	0.5
152.04614	0.4
153.01779	0.7
153.05438	0.9
153.09134	0.4
153.12671	0.3
155.07050	0.3
157.04947	2.3
159.04422	0.4
159.08105	0.3
159.11679	0.6
161.05978	2.6
161.13202	0.6
163.03914	0.8
163.07492	0.5
163.11191	0.8
163.14809	0.4
165.01826	0.7
165.05476	2.1
167.07030	26.2
168.07387	0.7
169.04951	0.4
171.02914	0.4
171.06589	0.4
173.04553	0.3
173.05966	0.5
173.09642	0.6
173.13274	0.5
175.06081	0.6
175.07494	0.6
175.14899	0.3
177.01813	0.7
177.05455	2.1
177.09044	0.5
179.07039	1.4
181.04930	1.3
181.06332	0.3
181.08601	0.8
181.12209	0.5
183.02899	0.6
187.03917	0.3
187.05978	1.0
187.07558	0.5
187.14748	0.4
189.01826	0.4
189.05518	0.3
189.09244	0.2
189.16382	0.5
191.03358	0.9
191.06975	0.5
191.10527	1.1
191.14252	0.3
193.04935	1.5
193.08580	2.8
193.12297	0.3
195.02881	0.9
195.06458	0.4
197.08051	1.0
199.05913	1.4
201.05464	0.3
203.03369	0.5
203.18088	0.3
205.04958	2.9
205.06871	0.5
205.08632	0.9
207.02864	0.6
207.10193	1.1
209.11674	1.2
211.09627	1.7
215.03430	0.4
217.05032	0.6
218.11690	0.6
219.02859	2.5
219.10152	0.6
219.17459	0.3
221.04527	0.4
223.05988	6.0
223.09497	0.4
225.11121	0.3
229.06992	0.4
231.02786	0.3
233.04578	0.4
235.05884	0.5
235.16861	0.3
237.11226	2.0
237.18326	0.5
239.12772	0.3
239.20087	1.4
241.04846	0.4
241.07019	7.0
245.04491	1.2
247.64053	0.4
249.03964	0.5
255.12276	1.1
256.15479	2.3
256.65726	1.1
257.04428	0.8
259.05652	0.4
259.08054	2.3
261.03943	0.9
263.05374	0.8
267.06570	0.3
269.04404	0.5
271.05737	0.4
271.08228	0.5
273.07922	0.5
273.13458	0.3
275.05530	0.3
275.16580	0.3
277.16562	0.3
283.05823	0.5
285.04474	0.4
285.07529	1.5
287.05524	0.7
295.06030	1.6
297.07443	0.7
305.06577	0.5
307.06033	0.6
309.07544	0.9
311.05423	0.3
313.06937	0.5
319.11707	0.7
321.07455	0.7
323.08572	0.3
325.06976	0.9
329.06479	0.9
333.07468	0.4
335.09384	0.3
337.07059	0.5
337.12524	0.4
339.08636	1.3
340.09146	0.3
349.06879	0.3
351.08636	0.6
355.07813	0.3
361.07141	0.3
363.12323	0.4
365.10184	0.4
365.18677	0.3
367.10327	0.8
373.09161	0.5
379.08008	0.7
381.13333	0.3
383.11215	1.3
385.12006	0.7
389.10025	0.3
391.10199	1.7
401.12097	1.0
403.12320	1.2
407.10779	0.7
409.10806	0.8
413.12259	0.4
421.13678	1.1
427.10693	0.5
431.11725	0.3
437.11981	0.3
439.10638	0.3
439.28159	0.7
449.12112	0.3
457.29276	1.1
475.30573	1.5
481.11230	0.4
493.10400	0.3
493.15002	0.3
493.31351	1.0
511.12524	1.0
511.30020	0.5
529.13965	0.4
547.15192	0.4
547.34613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1815
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
53.03935	0.3
53.94739	0.2
55.01832	0.2
55.32667	0.2
57.03419	0.5
60.76613	0.2
61.02895	0.3
67.05477	0.5
69.03419	1.7
69.07064	0.2
69.34636	2.2
70.06585	0.2
71.04964	0.2
72.08139	0.3
73.02896	0.5
81.03399	0.9
81.07026	0.3
85.02897	4.4
91.05431	0.3
95.08585	0.3
97.02885	3.6
98.21496	0.5
99.04438	0.9
105.07014	0.3
107.04935	0.3
109.02864	0.9
109.06549	0.3
111.66396	0.2
115.03892	0.3
127.03912	7.3
134.03606	0.5
137.05936	0.9
145.04967	0.9
145.06325	0.3
147.04395	0.6
149.05943	0.2
151.03899	0.2
163.07576	0.4
167.07074	0.3
176.01051	0.2
177.05560	0.5
179.03403	0.5
181.06497	0.3
183.60547	0.2
197.04359	0.3
201.05443	0.6
203.03369	0.9
205.05006	0.2
218.05685	0.3
221.04449	1.5
223.06024	0.4
236.06749	1.0
241.07037	0.4
253.04984	0.5
253.08517	0.4
254.05890	0.3
261.09073	0.4
265.04974	0.5
267.06479	0.9
269.08163	0.3
270.05334	0.4
277.08487	0.4
278.09155	0.4
281.04553	0.2
281.08038	1.1
282.05252	0.7
285.07364	0.3
289.08438	0.5
291.06357	0.2
292.07336	0.3
293.04462	0.6
293.07819	0.3
295.05997	1.2
295.09625	0.8
296.10455	0.5
297.04651	0.2
297.07629	1.4
298.04718	7.4
299.05280	0.3
299.12781	0.4
301.07138	0.6
306.05295	0.3
306.08618	0.4
307.06186	0.2
307.09567	0.5
309.04111	0.5
309.07550	3.6
310.04739	1.4
310.08096	0.4
311.05396	0.3
311.08905	0.4
313.07037	18.0
314.07343	0.8
315.07635	0.5
317.08032	0.6
319.06049	0.2
320.06836	1.1
321.11108	0.3
323.05423	0.9
323.08939	0.4
324.06216	0.8
324.09814	0.3
325.07007	3.3
325.10724	1.0
327.08585	0.3
333.07666	0.4
334.08432	1.7
335.09219	1.0
337.07040	7.1
337.11090	0.4
338.07831	1.9
339.08551	1.0
339.12363	0.6
347.09326	0.3
349.10605	3.3
351.08704	0.9
352.09402	10.0
365.10062	0.3
367.11740	100.0
368.12045	1.6
370.10477	0.3
379.11554	0.3
383.11475	0.3
384.11606	0.3
385.12781	16.8
386.13046	0.4
466.30075	0.3
529.16614	1.9
547.17255	0.8
547.35071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.181
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
55.01860	0.4
55.05500	0.4
57.03423	0.4
61.02913	0.4
67.05488	1.1
69.03420	1.0
69.07052	0.5
69.85050	1.1
71.04977	0.2
73.02895	0.2
78.28491	0.2
79.05479	0.5
81.03421	0.9
81.07059	1.0
83.04970	0.3
83.08594	0.3
84.08106	0.2
85.02902	2.4
85.06528	0.4
91.03936	0.2
91.05478	0.7
93.07023	0.7
95.04937	0.2
95.08589	0.5
97.02886	3.4
97.06539	0.2
99.04442	0.7
104.89308	0.2
105.03376	0.2
105.07018	0.4
107.04939	0.4
107.08578	0.7
109.02859	1.0
109.06520	0.4
109.10124	0.6
115.03914	0.4
118.81048	0.2
119.04890	0.2
119.08566	0.4
121.02839	0.7
121.06519	0.3
121.10123	0.6
123.04443	0.7
123.11661	0.2
125.06040	0.2
125.09595	0.3
127.03903	7.3
128.04262	0.2
129.06979	0.3
131.08566	0.3
131.13176	0.2
133.10100	0.5
134.03635	0.7
135.04364	0.2
135.07993	0.2
135.11723	0.4
137.05975	0.7
137.09605	0.3
145.04947	0.6
145.06473	0.2
145.10088	0.4
147.04382	0.6
147.08075	0.2
147.11673	0.3
149.05974	0.4
149.13226	0.2
151.03918	0.4
153.01799	0.3
159.04491	0.2
161.05986	0.3
163.03947	0.3
163.07552	0.3
167.06998	0.3
175.03926	0.4
175.07549	0.3
176.00986	0.2
177.01784	0.3
177.05444	0.5
177.09175	0.2
181.06665	0.2
181.08580	0.6
183.02905	0.2
189.05499	0.3
191.03369	0.2
191.14325	0.3
194.02141	0.4
195.02914	0.3
197.05936	0.2
201.05493	0.7
203.03406	0.7
207.02794	0.3
213.05466	0.4
217.08609	0.2
218.05707	0.2
219.06462	0.4
221.04446	1.3
236.06744	0.7
237.05560	0.3
238.47705	0.2
241.05000	0.4
253.04868	0.3
253.08609	0.4
254.05678	0.2
257.04379	0.2
263.06989	0.3
265.04974	0.5
267.06537	0.8
268.11115	0.3
269.08087	0.3
270.05191	0.4
271.06085	0.2
277.08508	0.4
278.09167	0.3
279.06711	0.3
279.10193	0.3
281.04901	0.3
281.08072	1.4
282.05206	0.6
284.03156	0.5
285.07425	0.3
286.04706	0.3
289.08597	0.4
291.06564	0.3
292.07300	0.4
293.04474	0.5
295.05991	1.5
295.09415	0.4
296.07144	0.2
296.10458	0.6
297.04095	0.4
297.07562	1.5
298.04706	5.7
299.05551	2.0
306.08838	0.4
307.05957	0.7
307.09674	0.6
308.06900	0.3
309.04028	0.4
309.07495	3.1
310.04745	1.5
310.07925	0.3
311.05496	0.4
311.09015	0.4
313.07019	12.7
317.08179	0.7
319.06097	0.4
320.06754	0.6
321.07516	0.6
321.11163	0.5
323.05478	1.2
323.09033	0.4
324.06195	0.8
324.10046	0.4
325.07129	4.1
325.10751	0.7
327.08633	0.2
331.09689	0.3
333.07544	0.6
334.08380	2.1
335.09137	1.3
337.07034	8.0
337.11096	0.4
338.07770	1.9
339.08575	1.1
339.12350	0.7
349.06830	0.4
349.10657	3.2
349.23810	0.3
351.08444	1.2
352.09360	9.4
363.04807	0.2
365.10153	0.2
367.11734	100.0
368.12039	1.0
379.07837	0.2
379.11966	0.3
385.12781	2.7
391.07983	0.2
427.09964	0.3
475.30612	0.2
511.15530	0.8
529.17065	2.0
547.15796	0.7
547.27417	0.2
547.34558	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	547.181
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
53.03904	0.4
55.05481	0.6
57.03415	0.3
58.16157	0.2
61.02892	0.4
67.05464	0.7
69.03426	1.9
69.07032	0.4
71.04933	0.3
71.61735	0.4
79.05461	0.6
81.03408	1.3
81.07055	1.3
83.08565	0.3
85.02898	2.3
86.10503	0.3
87.04412	0.3
91.05432	0.7
93.07018	0.6
95.04900	0.5
95.08550	0.9
97.02881	1.7
97.06461	0.4
99.04399	0.4
103.97846	0.2
105.06956	0.8
107.04912	0.7
107.08552	0.4
109.02848	2.1
109.06477	0.3
109.10132	0.5
111.08021	0.3
117.03374	0.3
119.08518	0.4
121.10085	0.6
123.04388	0.9
127.03899	3.7
133.10062	0.8
135.04358	1.1
135.11613	0.4
137.02263	1.1
137.05942	0.3
137.09560	0.3
145.04861	0.3
145.10085	0.5
147.04359	0.7
147.11633	0.4
153.06946	0.4
157.04771	0.3
159.11736	0.4
161.05919	0.3
167.07056	0.3
171.08023	0.4
173.05960	0.4
177.01801	1.3
177.05554	0.3
181.06430	0.8
194.25395	0.3
195.02879	7.5
199.07591	0.4
209.06013	0.4
213.67876	0.3
223.06015	0.3
227.07018	1.1
237.05391	0.6
255.06671	1.4
265.05014	0.6
283.05914	1.5
293.04297	1.2
295.06006	0.4
299.09036	0.3
310.04562	0.7
311.05466	100.0
312.05765	0.9
313.06937	1.5
325.06985	0.6
329.06500	0.6
349.23969	0.2
353.06610	0.3
367.07486	0.3
367.11719	5.5
367.16046	0.5
385.12433	1.2
473.10742	22.6
474.11105	0.3
503.30344	0.4
529.17029	34.2
547.17493	1.3
547.25989	0.3
547.35614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01868	0.8
55.05503	1.5
56.05035	1.2
57.03428	1.0
57.05815	0.3
57.07058	0.2
57.71167	0.2
61.02913	0.5
65.03949	0.5
67.05508	1.5
69.03429	4.6
69.07062	0.8
69.75911	0.7
69.76327	1.0
70.06593	5.3
71.04982	1.1
72.08151	5.8
73.02914	0.7
73.08489	0.2
74.06067	0.9
79.05498	1.6
81.03416	4.2
81.07058	3.0
83.01331	0.4
83.04966	1.5
84.08138	16.5
85.02895	5.8
85.06540	1.5
85.08485	0.8
86.06043	0.4
86.09700	8.4
86.10232	0.4
87.04465	0.7
87.10040	0.6
89.06063	0.4
91.05470	2.0
93.03399	0.3
93.07044	2.4
95.04967	1.1
95.08589	1.4
97.02888	41.4
97.06529	0.7
97.10168	0.3
99.04448	7.8
99.08099	0.4
101.10773	0.8
103.03921	2.3
103.05472	0.6
105.07034	2.4
107.04949	0.7
107.08601	1.7
109.02875	6.3
109.06503	0.9
109.10130	2.2
111.04448	1.6
111.08064	0.3
114.10348	0.2
115.03922	5.8
115.08700	0.3
119.04904	1.3
119.08566	1.2
121.02869	1.8
121.06487	0.9
121.10133	1.2
123.04423	1.1
123.08056	0.8
123.11674	1.3
125.05992	0.5
125.09609	0.5
127.03909	100.0
127.08639	1.3
128.04248	0.7
129.05496	0.5
129.06929	0.2
129.10234	7.3
130.10590	0.5
131.04916	0.5
131.08583	0.3
133.06468	0.4
133.10124	1.1
135.04459	0.6
135.08038	0.4
135.11684	1.1
137.02332	0.4
137.05983	0.6
137.09599	0.3
139.03909	1.6
139.07573	0.4
139.08652	0.3
139.11201	0.3
141.10179	0.3
145.02931	0.3
145.04962	2.2
145.10121	0.9
147.04382	2.7
147.08089	0.4
147.11659	0.8
149.05966	1.0
149.13271	0.6
151.03955	0.5
151.07561	1.4
152.14365	0.6
153.05443	0.6
155.07011	0.3
155.08182	0.3
155.11763	0.3
157.04993	2.2
157.09740	0.4
157.13322	0.5
159.11734	0.3
161.05989	1.5
161.09654	0.5
161.13240	0.8
163.03914	0.4
165.01807	0.3
165.05466	1.4
167.07018	1.9
169.04929	0.6
171.06589	0.4
173.04480	0.4
173.13275	0.4
175.06015	0.7
175.14761	0.5
177.05435	2.0
179.07033	1.1
180.65967	0.3
181.04955	0.6
181.08553	0.5
183.11331	0.4
185.12900	0.3
185.16476	0.4
187.05986	1.1
187.14635	0.5
191.10542	0.3
193.04994	1.5
193.08522	0.4
193.12212	0.4
195.02879	0.4
197.08096	1.7
197.16492	0.8
199.06003	1.4
201.12357	0.7
203.03426	0.5
205.04955	3.4
205.06886	0.5
205.12289	0.3
207.02960	0.5
207.06396	0.3
207.10136	0.6
209.07832	0.3
209.11688	0.6
216.87971	0.3
217.04962	0.3
223.06007	6.2
224.17557	0.3
226.15483	0.5
229.07008	0.5
229.11957	0.3
233.04033	0.3
237.11299	0.4
241.07065	7.4
253.07121	0.5
259.08176	2.6
268.07425	0.3
271.08231	0.6
279.06387	0.4
283.05936	0.5
286.17059	0.5
287.16351	0.3
295.06009	4.2
297.07724	0.4
300.15463	0.7
307.06000	1.6
309.07480	1.0
311.05505	1.8
313.06897	0.4
314.67786	0.4
319.05878	0.4
319.10919	0.2
321.07428	1.4
323.05563	1.4
325.07043	2.9
329.06360	0.4
333.07556	1.2
335.08960	0.4
337.07117	1.8
339.04797	0.4
339.08508	0.4
346.18427	0.3
349.06894	1.5
351.08499	0.6
353.06494	1.9
361.06943	0.9
363.08673	0.5
365.06235	0.3
367.11902	1.5
373.06860	0.3
375.08279	0.6
377.06354	0.4
379.07999	2.1
385.11670	1.0
391.07941	1.0
395.07324	0.4
397.09103	0.8
403.07825	0.5
403.12439	1.1
405.09845	0.4
407.07660	0.6
409.09036	0.5
421.08771	0.9
421.13919	1.4
421.74576	0.4
425.08459	0.5
427.10107	0.9
439.10187	0.7
439.28171	0.7
443.09631	2.7
457.10956	1.2
457.29184	1.3
463.10040	0.5
467.09384	0.4
469.10849	0.3
475.10223	0.4
475.30432	1.0
481.11157	1.1
485.10800	0.3
493.11374	0.7
493.31354	0.7
499.12634	0.3
499.79126	0.6
508.64755	0.4
508.98505	0.4
509.31146	0.5
511.12198	3.0
529.13214	1.5
540.98547	0.4
541.32117	0.9
546.65607	0.9
546.99847	1.4
547.14056	2.2
547.21301	1.4
547.33685	0.6
549.32532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.30191	0.4
55.01862	0.6
55.05494	0.7
57.03415	0.8
57.37762	0.4
58.06615	0.5
67.05492	1.1
69.03423	4.9
69.07050	1.0
70.06580	1.5
70.63734	0.5
71.04969	1.9
72.08147	2.2
73.02894	0.7
79.05475	1.7
81.03416	4.5
81.07043	1.9
83.04971	0.9
84.08128	1.4
85.02893	7.3
85.06543	0.8
86.06094	0.4
86.09688	1.3
90.55865	0.4
91.05474	1.4
93.07025	1.6
95.04943	1.4
95.08615	1.3
97.02885	42.0
97.06534	0.4
98.05999	0.6
98.20771	1.0
99.04446	6.6
103.03911	2.9
104.08775	0.4
105.07027	1.2
107.04943	0.7
107.08607	1.1
109.02876	7.3
109.06578	0.6
109.10149	0.7
110.02431	0.5
111.04467	1.1
113.10648	0.4
115.03918	5.6
119.04938	1.3
119.08598	0.9
121.02887	2.6
121.06487	0.9
121.10124	1.1
123.04395	0.8
123.08078	0.7
125.02319	0.5
125.05914	0.4
125.09665	0.5
127.03906	100.0
130.08818	0.4
133.06464	0.6
133.10153	0.7
135.11752	0.5
136.07549	0.5
137.02307	0.5
139.03908	1.5
143.08492	0.6
145.04938	2.6
147.04396	1.9
149.05998	1.2
151.03877	0.5
151.07545	1.3
153.05473	0.5
157.04962	2.6
161.06075	1.0
163.03835	0.5
165.05467	0.7
167.07072	0.8
173.04361	0.5
175.06033	1.0
177.05443	1.7
179.07057	0.9
181.05008	0.8
187.06018	1.1
193.04953	1.3
197.08125	1.2
199.05997	1.2
203.03291	1.0
205.04980	4.2
205.06975	1.0
207.02847	0.9
215.03387	0.7
219.02594	0.5
221.11830	0.5
223.05946	6.7
229.07024	0.6
241.07016	8.2
241.09238	0.6
253.07091	0.6
259.08127	3.0
271.08130	0.7
279.89780	0.4
283.05975	1.0
289.09033	0.6
295.05948	5.3
296.06543	0.7
298.04614	5.5
307.05896	2.4
308.06723	0.9
309.07581	1.2
313.07028	21.7
321.07675	2.6
322.08432	0.7
325.07050	4.6
333.07593	1.5
335.09192	1.3
337.07159	2.0
347.09259	0.6
349.06879	2.8
351.08649	1.4
361.06952	1.2
363.08755	0.8
367.11838	2.4
375.08545	0.6
379.08191	3.9
385.12857	13.0
387.08859	0.6
391.08295	2.2
397.09164	2.3
403.07971	1.0
403.12460	1.1
409.09088	1.4
415.10043	0.9
421.08743	1.0
421.13617	1.6
427.10037	1.0
433.09079	1.1
443.60602	0.4
451.10300	1.7
457.11462	2.2
469.11145	2.4
475.10004	0.5
481.11295	2.1
493.11230	2.5
499.12494	1.4
511.12180	3.4
529.12628	2.5
529.20801	0.6
547.14185	1.3
547.21466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01878	3.3
55.05507	0.7
57.03422	2.0
61.02915	1.8
65.03938	0.6
68.99804	0.6
69.03416	4.0
70.06566	1.0
71.04979	1.3
71.63275	0.9
72.08136	1.3
73.02895	1.9
79.05479	0.9
81.03405	5.2
81.07043	0.8
83.04964	1.3
84.08134	1.2
85.02898	8.5
87.04465	0.6
91.05457	1.2
93.03411	0.8
93.07024	0.7
95.04953	1.1
95.08605	0.8
97.02882	39.5
99.04443	6.9
101.06039	0.5
103.03957	3.4
103.05437	0.8
105.03318	0.5
105.06985	1.0
107.04945	1.8
107.08597	0.6
109.02870	7.8
109.10123	0.6
111.04435	2.2
115.03931	5.3
119.04955	4.9
119.08592	0.5
120.71194	0.5
121.02856	23.4
121.06514	1.3
123.04401	0.9
123.08020	0.7
127.03905	100.0
128.04254	0.6
129.07030	0.6
131.04878	1.0
133.06503	1.1
133.10106	0.5
135.04390	1.3
137.02338	0.5
137.05954	0.7
139.03865	1.1
145.02850	3.4
145.04961	3.0
145.06461	0.6
147.04417	2.4
147.11604	0.6
149.02316	0.5
149.05966	1.1
151.03841	0.6
153.87939	0.5
156.92458	0.5
157.04955	1.5
157.06206	0.5
159.04411	1.3
161.05969	1.4
163.03909	1.6
165.01834	0.6
167.03268	0.5
171.04482	0.8
173.06004	1.2
175.03883	1.2
175.06067	0.8
177.01883	0.8
177.05495	3.2
179.03351	1.4
179.07008	0.6
181.04926	1.5
187.03926	1.9
187.06004	1.2
189.01830	3.1
189.05440	1.4
191.03441	2.3
193.04951	1.3
195.02904	5.2
195.08174	0.5
197.04427	0.6
197.06082	0.9
197.08099	1.5
199.04019	1.0
199.05992	1.3
199.07635	0.6
200.18219	0.5
201.01724	0.6
201.05472	1.6
203.03366	10.0
203.05147	0.7
205.04971	5.5
205.06851	0.5
207.02902	4.1
213.05542	1.2
215.03375	4.4
217.04936	4.6
219.02948	0.8
219.06575	0.7
221.04416	5.9
223.05959	6.1
225.05463	0.7
227.03423	1.5
229.04988	3.0
231.02898	1.4
231.06458	0.9
233.04457	3.2
235.05945	1.2
241.04889	1.3
241.07086	6.7
243.02852	2.5
243.06430	0.7
245.04459	1.8
247.05951	0.6
251.07101	0.6
253.04854	1.0
253.07149	0.7
255.02838	1.8
255.06593	0.7
257.04459	1.0
259.08167	1.6
261.03922	1.4
266.05600	0.6
267.06552	1.3
268.07321	2.3
269.04401	1.2
271.05869	0.7
271.08331	0.8
273.03967	1.4
277.08710	0.7
279.06488	2.9
280.07339	1.3
281.04593	0.9
281.08057	1.5
282.05270	0.7
283.05893	4.0
285.04007	1.3
287.05569	0.6
289.08701	1.0
290.08453	1.0
291.06644	0.6
292.07260	1.1
293.07962	3.3
293.10904	0.5
294.05228	4.4
294.08417	0.9
295.05991	54.0
295.09039	1.8
296.06674	5.0
297.04440	0.8
297.07452	3.3
304.07419	0.9
305.08029	2.0
306.08945	1.2
307.05981	27.6
307.09073	1.0
308.06763	12.0
309.04153	0.7
309.07516	11.0
311.05472	1.0
313.07184	1.8
317.08136	2.8
319.05997	2.6
319.09555	0.9
320.06708	3.7
321.07553	34.6
322.04706	0.6
322.08243	8.2
323.05420	1.4
323.09109	4.6
325.07025	39.6
326.07443	1.3
329.08035	1.9
331.06003	1.2
331.09570	0.8
333.07523	17.0
334.08179	2.2
335.05429	1.3
335.09085	13.1
336.06250	2.9
336.09756	0.7
337.07040	16.5
337.11087	1.0
338.07581	0.5
339.05173	0.5
339.08539	2.1
343.01215	0.5
343.09668	0.7
345.07584	5.6
346.08255	1.6
347.05396	0.8
347.09100	9.7
348.06119	0.7
349.07010	37.5
350.07724	2.8
351.08588	20.1
353.09946	1.0
355.08203	0.6
357.07559	1.8
359.09125	3.0
361.06992	20.2
361.10730	1.6
362.07730	1.1
363.08585	13.1
365.06454	0.7
365.10309	3.6
367.08029	4.7
371.09143	1.0
373.06967	7.8
373.10947	0.6
374.07581	1.1
375.08640	10.3
377.06393	1.0
377.10251	2.7
379.08102	56.2
380.08328	1.7
381.10071	0.6
385.07135	2.1
386.07758	0.8
387.08652	5.6
389.06033	0.7
389.10257	3.8
391.08066	21.9
393.09720	2.0
397.09155	27.3
399.08749	1.4
401.10123	3.3
403.08020	13.9
405.09698	7.3
407.07504	0.6
409.09149	29.4
410.09515	1.1
415.10202	9.4
417.09555	3.5
419.11295	2.9
421.08984	8.2
421.13165	0.7
423.10672	0.8
427.10269	36.0
428.10410	0.7
429.09824	2.6
433.09152	15.5
434.09488	0.7
435.10657	0.8
437.12238	0.9
439.10245	7.5
445.09082	8.2
447.10803	1.3
451.10199	21.2
457.11230	15.6
463.10156	5.8
465.11514	0.8
469.11261	25.9
470.11481	1.0
475.10233	8.6
481.11258	32.3
482.11151	0.8
493.11295	17.2
494.11844	0.6
499.12329	23.7
500.12726	0.7
511.12347	41.6
512.12415	0.8
529.13373	32.3
530.13574	1.0
547.14386	19.8
547.37000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66756	0.3
53.03938	1.3
55.01867	0.5
55.05497	0.8
55.74653	0.3
59.01884	0.3
59.66703	0.3
64.92559	0.3
67.05497	0.7
69.03419	2.7
69.07060	0.6
70.28085	0.2
71.04988	1.0
71.17863	0.5
71.18187	0.4
72.08163	0.5
73.02901	0.8
79.05501	0.8
81.03420	3.1
81.07048	1.2
83.01323	0.5
83.04985	0.7
85.02896	5.4
85.06512	0.3
85.11887	0.3
91.05462	1.1
91.96903	0.3
93.07034	1.3
95.04976	0.8
95.08604	0.6
97.02883	40.8
97.06561	0.3
99.04446	6.3
99.08078	0.4
103.03922	2.2
105.07024	0.7
106.11585	0.3
107.04951	0.5
107.08587	0.6
109.02880	6.6
109.06485	0.4
111.04414	0.8
115.03923	6.3
119.08575	0.4
121.06499	0.9
121.10140	0.4
123.04405	0.4
123.08041	0.4
125.02335	0.4
127.03906	100.0
128.04288	0.6
129.05396	0.3
133.06490	0.5
135.04355	0.5
135.08095	0.3
137.02342	0.4
139.03891	0.9
145.04947	2.8
145.06000	0.4
147.04388	1.1
147.11646	0.4
149.05945	0.4
151.07529	1.2
153.05458	0.3
155.74715	0.3
157.04907	2.6
161.05972	1.3
167.07019	0.7
169.04950	0.8
173.04329	0.3
175.06026	0.7
177.05495	2.0
177.60217	0.3
179.07004	1.0
181.04942	1.5
187.05949	1.5
193.04945	1.5
195.06532	0.5
197.08086	1.0
199.05997	1.7
205.04959	4.0
205.06865	0.5
223.05981	6.4
241.07057	7.8
241.09561	0.4
253.07047	0.6
259.08090	3.0
268.05008	0.3
271.08133	1.0
285.07797	0.4
289.08817	0.3
295.05978	0.4
307.05902	0.6
309.07608	0.6
321.07574	0.4
325.06985	0.5
337.11322	0.4
349.06882	0.5
356.27609	0.3
365.10364	0.4
367.10855	0.8
375.08734	0.5
379.08011	0.4
385.11697	0.9
391.08121	0.4
395.07596	0.7
403.12424	1.4
421.13483	1.7
427.10779	0.3
439.10159	0.5
457.29120	0.5
464.96320	0.3
467.09326	0.3
485.10999	0.5
493.10803	0.3
493.31116	0.3
511.12476	0.9
529.13538	1.1
547.15167	0.4
547.34668	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	547.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01859	0.6
55.05492	0.6
57.03423	0.6
61.02921	0.3
67.05487	0.7
67.42789	0.1
68.40424	0.2
69.03420	3.7
69.07062	0.5
70.06570	0.5
71.04987	0.9
71.62655	0.2
71.63091	0.2
72.08132	0.7
73.02905	0.7
79.05482	0.7
80.18426	0.1
81.03410	3.2
81.07053	1.4
83.01332	0.4
83.04983	0.9
83.08554	0.2
84.08134	0.3
85.02899	5.4
85.06509	0.4
86.09695	0.2
87.04481	0.4
87.89658	0.2
91.05466	0.9
93.07031	1.5
95.04968	0.8
95.08603	0.6
97.02883	40.7
97.06500	0.3
99.04446	7.4
103.03938	2.2
103.05437	0.4
105.07007	1.3
107.04948	0.3
107.08583	0.7
109.02869	6.3
109.06545	0.3
109.10149	0.8
111.04433	1.2
113.02385	0.2
113.06031	0.2
114.10252	0.3
115.03919	5.6
117.07019	0.2
119.04931	0.8
119.08542	0.5
121.02867	0.4
121.06497	0.9
121.10107	0.4
123.04409	0.8
123.08038	0.5
123.11665	0.5
125.02342	0.4
125.06010	0.4
127.03905	100.0
128.04225	0.4
129.05527	0.2
131.04898	0.4
131.08572	0.3
133.06464	0.4
133.10094	0.6
135.04402	0.5
135.08090	0.2
135.11707	0.2
137.02374	0.2
137.09676	0.2
139.03876	1.6
139.07497	0.3
145.04941	2.4
145.10143	0.2
147.04402	1.9
147.11687	0.3
148.04721	0.2
149.05960	0.9
151.03961	0.3
151.07523	1.2
152.06982	0.2
153.01750	0.2
157.04947	2.6
159.04416	0.2
159.11702	0.2
161.06003	1.5
161.13193	0.3
163.03856	0.3
163.06078	0.3
163.07565	0.2
165.05495	0.7
167.07031	2.2
169.04924	0.5
173.04439	0.4
175.03819	0.2
175.05995	0.8
177.05420	1.6
179.07036	0.9
179.10570	0.2
181.04889	0.9
187.04036	0.2
187.06013	1.2
191.10675	0.3
193.04930	1.5
193.08562	0.4
195.02849	0.2
195.06526	0.4
197.08095	1.2
199.06053	1.3
203.17955	0.2
205.04980	3.7
205.07022	0.5
207.10150	0.2
211.06061	0.3
218.11823	0.3
223.05980	6.7
225.92070	0.2
229.07091	0.5
241.07047	7.2
247.08061	0.2
253.07104	0.4
256.15561	0.5
256.65799	0.3
259.08072	2.2
259.10333	0.2
270.05167	0.4
271.08118	1.1
273.07224	0.2
277.16611	0.3
285.07547	1.7
289.09305	0.3
295.06116	0.5
296.06848	0.2
307.06055	0.6
308.06482	0.2
309.07425	0.3
313.07047	0.2
321.07605	0.7
325.07001	0.4
337.07242	0.3
337.11072	0.2
349.06982	0.3
351.08905	0.2
361.07104	0.3
367.10532	0.7
373.11194	0.2
381.13327	0.2
385.11414	0.9
391.08182	0.3
403.12433	1.2
409.09698	0.3
421.13437	1.5
427.10263	0.3
457.29459	0.3
475.30664	0.6
481.10941	0.3
493.11182	0.2
493.31583	0.3
511.12485	0.7
511.30969	0.3
512.30597	0.2
529.13879	0.6
547.14661	0.3
547.26514	0.4
547.34479	5.9
557.35400	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	547.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01865	0.5
55.05488	0.6
56.09829	0.3
57.03424	0.7
61.02913	0.4
65.97599	0.3
67.05486	0.4
69.03420	4.0
70.06586	2.9
71.04980	0.9
71.06924	0.3
71.62778	0.2
71.63121	0.3
72.08147	2.9
73.02902	0.8
75.26687	0.2
79.05476	0.5
81.03407	3.6
81.07001	0.3
83.04962	1.1
84.08141	0.6
85.02892	5.7
86.09659	0.3
87.04477	0.6
89.22122	0.2
91.05456	0.8
93.07025	0.7
95.04930	0.5
95.08566	0.3
97.02877	39.5
98.09680	1.0
99.04441	7.6
103.03937	2.0
105.07024	1.4
107.04937	0.7
108.38463	0.3
109.02869	6.2
110.02390	0.9
111.04462	0.5
115.03914	5.5
119.04914	0.7
121.02837	0.8
121.06516	0.7
123.04417	0.7
123.08061	0.3
124.41213	0.2
125.02351	0.4
127.03899	100.0
128.04242	0.5
131.04907	0.4
131.66640	0.3
133.06456	0.8
135.04417	0.6
137.02339	0.5
139.03860	1.3
145.04945	2.5
147.04344	1.5
149.05968	0.7
151.03905	0.4
151.07491	1.0
152.07018	0.7
157.04956	2.2
161.05954	1.6
163.04024	0.6
165.05495	0.3
167.07054	0.5
169.04967	0.4
169.09758	0.5
173.04376	0.3
175.04471	0.2
175.06010	0.8
177.05476	1.7
179.06955	0.5
181.04893	1.4
187.06000	1.1
193.04868	1.3
193.08659	0.6
194.08937	0.3
195.06488	0.4
197.08150	1.3
199.05956	1.4
200.46024	0.3
205.04967	2.9
205.06947	0.6
209.08020	0.3
223.05989	5.7
235.05899	0.5
237.02928	0.3
241.07040	6.8
253.07024	0.6
259.08102	2.2
271.08160	1.0
295.06030	1.3
302.00174	0.3
307.05701	0.4
308.06668	0.4
321.07343	0.6
325.07086	0.7
335.09189	0.4
337.07184	0.4
337.11603	0.3
351.08615	0.4
361.07623	1.0
367.10034	0.6
379.08072	1.2
385.11194	0.8
391.08234	0.5
403.12402	1.0
409.09229	1.0
421.13589	1.5
427.10196	0.9
433.09183	0.4
435.10135	0.3
481.11191	0.5
493.11426	0.4
499.12549	0.7
509.93048	0.3
511.12247	0.8
529.13171	0.4
545.49463	0.3
547.20502	1.6
547.29114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.1
55.05475	0.4
57.03427	2.8
61.02928	2.5
65.03900	1.4
68.99777	0.9
69.03385	1.7
70.06540	1.8
70.61464	0.6
70.61796	0.8
71.01294	0.5
71.99831	0.4
72.08146	2.0
73.02870	1.6
77.03946	0.4
79.05457	0.6
81.03401	2.9
81.07015	0.5
81.07672	0.4
83.01297	0.8
83.04964	0.4
84.08112	0.8
85.02426	0.4
85.02895	6.6
86.09663	0.7
89.10768	0.4
91.05470	2.1
93.03367	1.2
93.06985	0.6
95.04920	1.3
97.02886	8.2
98.06022	0.8
99.04454	2.0
103.03922	2.0
103.05447	0.7
105.03374	0.6
105.06981	1.4
107.04391	0.3
107.04946	3.8
109.02863	3.3
109.06469	0.8
111.04372	1.5
114.74245	0.4
115.03890	1.1
115.05418	1.1
119.04935	12.4
119.08501	0.5
121.02852	49.2
121.06448	1.3
123.04432	0.6
127.03901	23.0
128.06190	0.4
129.06978	0.8
129.65231	0.4
131.04877	1.3
133.06444	1.1
133.10117	0.5
135.04352	1.4
139.03859	0.7
139.85013	0.4
140.06950	0.4
141.06973	0.6
141.30547	0.4
143.04880	0.9
145.02837	5.2
145.04933	0.7
145.06358	0.5
147.04385	4.2
149.05995	0.7
151.03833	1.0
155.04918	0.8
157.04919	0.7
157.06435	0.5
159.04424	2.4
161.02296	1.5
161.05960	0.9
163.03857	2.1
165.01768	0.8
165.06955	0.5
167.03317	0.4
167.07101	0.4
169.06453	0.8
171.04372	1.2
173.02303	0.7
173.05945	1.7
175.03868	2.3
175.07246	0.4
177.01802	1.9
177.05444	1.7
179.03448	2.4
181.04955	0.8
183.04387	0.8
185.05882	0.9
187.03920	3.3
189.01804	6.0
189.05357	2.1
190.02603	1.0
191.03346	3.5
193.04919	1.0
194.01971	0.4
195.02878	10.3
195.04617	0.9
197.05966	1.5
199.03883	1.9
201.01776	0.9
201.05435	2.5
202.02660	0.4
203.03368	22.0
204.04103	1.1
205.01291	0.4
205.04953	4.4
207.02863	8.6
208.03630	1.2
209.04443	0.9
209.06100	0.5
211.03874	1.2
213.01881	0.4
213.05388	2.0
215.03366	7.2
215.06918	0.8
217.04933	8.0
219.02795	3.0
219.06419	0.9
221.01109	0.4
221.04420	9.7
223.06024	1.4
225.03734	0.8
225.05641	0.9
227.03355	3.2
229.04927	4.5
231.00745	0.6
231.02835	2.9
231.06430	0.8
233.04384	7.2
235.05986	1.5
239.03387	1.1
239.07153	0.8
239.13884	0.5
241.04901	3.1
241.07111	1.3
243.02890	4.5
243.06589	1.8
245.04355	3.7
247.02353	0.7
247.05849	0.8
249.03941	1.4
251.07013	1.5
252.07701	0.7
253.04865	1.6
253.08304	0.4
254.05580	0.7
255.02913	2.6
255.06471	0.9
257.04474	2.3
259.05832	0.6
261.03876	3.1
263.07071	0.7
265.04950	1.0
265.08594	0.9
266.05737	0.6
267.02740	0.6
267.06561	2.3
268.07281	4.7
269.04443	2.4
271.06015	1.7
273.03949	2.6
275.05374	0.6
277.08588	1.5
279.06516	6.8
280.07278	2.0
281.04672	1.0
281.08078	4.0
282.05148	0.9
283.05975	8.7
284.06735	1.2
285.03940	1.7
287.05377	0.6
289.08575	1.4
291.06366	1.8
291.09921	0.5
292.07245	3.4
293.04724	0.6
293.08029	6.7
294.05191	7.1
294.08817	2.2
295.05984	94.7
296.06689	6.7
297.04095	0.9
297.07446	7.6
299.05350	0.8
301.08496	0.5
303.06488	0.7
304.07300	1.4
305.08081	3.7
306.08990	2.0
307.05994	57.0
307.09344	2.6
308.06741	20.9
309.04037	1.7
309.07495	22.1
311.05521	0.9
311.08871	0.5
313.06891	3.0
316.07114	0.7
317.08069	6.3
318.08826	1.5
319.05972	4.0
319.09598	1.3
320.06760	8.5
321.07535	65.1
322.04779	1.2
322.08292	14.9
323.05444	3.0
323.09128	9.7
324.06299	0.5
325.07019	66.5
326.07550	0.6
327.09854	0.4
329.08096	3.6
331.05914	1.8
331.09525	0.9
332.06735	1.4
333.07529	33.7
334.08234	4.9
335.05429	2.7
335.09076	25.1
336.06226	4.9
336.09854	1.3
337.07007	30.9
337.10345	1.2
338.07404	0.9
339.04846	1.0
339.08649	4.2
341.07797	0.5
343.09625	1.4
344.06827	1.5
345.07526	12.5
346.08319	3.0
347.05469	1.1
347.09103	15.8
348.06351	1.5
349.07010	71.8
350.07758	2.9
351.08606	40.5
353.06583	1.2
355.08276	1.0
357.07660	1.9
358.08362	0.6
359.09085	5.4
360.06155	1.1
361.06985	34.6
361.10706	3.1
362.07687	2.2
363.08563	23.5
365.06329	0.7
365.10257	5.3
367.08017	7.8
371.09082	1.4
373.06949	11.2
373.10779	1.2
374.07684	2.2
375.04840	1.1
375.08649	18.7
377.06293	1.1
377.10229	4.3
378.07324	0.9
379.08078	100.0
380.08655	1.2
381.09677	2.5
383.08990	0.6
385.06531	3.0
386.07706	0.8
387.08594	10.5
389.06342	1.1
389.10428	6.0
391.08063	40.2
392.08688	0.9
393.09686	2.6
395.07190	0.5
395.11929	0.6
397.09146	36.8
399.08609	3.1
401.10245	5.4
403.08069	24.5
404.08514	0.6
405.09680	12.5
407.07379	0.5
409.09143	56.0
410.09485	0.5
411.08261	0.7
415.09821	14.2
417.09637	6.2
419.11569	3.9
421.03638	0.9
421.09119	13.1
421.14761	0.7
423.10925	0.7
425.08838	0.7
427.10248	68.7
428.10361	0.7
429.09598	4.3
433.09152	26.3
435.10941	1.1
437.12341	0.9
439.10168	11.8
445.09085	13.8
447.10590	2.2
451.10211	31.7
457.11172	28.7
463.10175	10.1
465.11560	1.0
469.11243	41.1
475.10196	12.0
475.16644	0.8
481.11252	57.2
482.11807	0.9
487.12827	0.4
493.05792	0.4
493.11224	30.1
499.12302	42.2
500.12619	0.4
511.12311	67.7
512.12769	0.7
529.13367	57.0
530.13702	0.7
546.36035	0.5
547.14423	36.8
548.14874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
55.01869	3.9
55.05503	0.9
57.03433	3.2
58.06580	0.5
59.04952	0.5
61.02921	3.1
65.03912	1.3
67.05468	1.1
68.99744	0.8
69.03410	3.0
69.07034	0.5
70.06580	2.6
70.13910	1.9
71.04974	1.0
72.08109	1.9
73.02878	1.1
77.54649	0.4
79.05450	1.4
81.03412	3.1
81.07019	1.9
83.04942	1.1
84.08141	2.6
85.02431	0.5
85.02898	7.8
86.06042	0.6
86.09675	0.9
91.05481	2.5
93.03347	1.3
93.07011	1.0
95.04929	1.7
95.05487	0.4
95.08558	1.3
97.02887	8.7
97.70656	0.4
98.06023	1.0
98.09692	0.5
99.04410	1.5
101.05959	1.4
103.03905	1.4
103.05429	0.9
105.07024	2.3
107.04932	3.5
107.08569	1.1
109.02881	4.3
109.06544	0.6
109.10110	1.0
110.02358	0.5
111.04385	1.4
115.03913	1.0
115.05453	0.9
117.03317	0.7
117.06947	0.7
119.04934	9.0
119.08559	1.0
121.02853	40.6
121.06419	0.7
121.10088	1.0
123.04356	0.9
127.03901	19.2
129.05444	0.6
131.04858	1.2
133.06497	1.0
133.10095	1.1
135.04362	1.5
135.08044	0.6
137.02272	0.8
137.05945	1.0
139.03828	0.7
143.04906	0.5
145.02823	5.2
145.06424	1.2
146.11707	1.0
147.04379	4.8
147.11633	1.6
149.05954	0.6
149.13336	0.5
151.03886	1.0
153.01729	0.7
155.04875	0.5
157.05009	0.7
157.06299	1.0
159.04343	1.5
161.02303	1.0
161.05948	1.3
161.13196	0.6
163.03860	2.4
165.01816	1.0
165.58073	0.4
167.03455	0.5
167.07007	2.4
169.06447	0.7
171.04350	1.1
173.05957	1.3
175.03857	2.0
175.11171	0.6
177.01859	1.7
177.05429	1.5
179.03409	2.1
183.04283	0.6
185.05896	1.2
187.03899	2.7
189.01788	4.7
189.05399	1.9
190.02515	0.7
191.03386	3.3
192.04037	0.5
193.05006	0.6
195.02879	9.2
197.04373	0.6
197.05960	1.1
199.03854	1.3
201.01791	1.1
201.05490	2.3
203.03377	15.6
203.17903	0.7
204.04085	0.7
205.04956	3.5
207.02861	8.2
207.06282	0.5
208.03676	0.9
209.04324	0.8
211.03848	1.1
213.05379	1.7
215.03386	5.7
217.04951	7.0
219.02878	2.1
219.06352	1.0
221.04427	7.9
223.05927	1.4
225.03662	0.7
225.05531	1.1
227.03314	1.7
227.06961	0.6
228.04060	0.7
229.04932	5.6
231.02863	2.3
231.06424	1.0
233.04419	5.8
235.02251	0.5
235.05968	1.4
237.05562	0.5
239.03340	0.9
241.04897	2.5
241.07036	1.2
243.02884	2.6
243.06424	1.2
245.04369	1.7
247.02304	0.7
247.05782	0.9
249.03809	0.7
251.07094	1.0
252.07678	0.6
253.04921	1.7
254.05623	0.8
255.02844	2.6
255.06392	1.5
257.04471	3.1
259.05859	0.9
261.03918	1.6
263.07068	0.5
265.04889	0.6
265.08566	0.6
266.05658	0.6
267.03033	0.6
267.06485	1.9
268.07239	3.6
269.04376	2.4
269.07538	0.7
271.05945	1.5
273.03943	2.0
273.09329	0.5
275.05524	0.6
277.08517	0.8
279.06512	5.4
280.07251	1.4
281.04465	1.5
281.08142	2.7
282.05026	0.7
283.05951	8.7
284.06784	1.2
285.03976	2.1
285.06885	0.5
287.05377	0.6
289.08554	0.9
290.16119	0.6
291.06427	1.4
291.09918	0.9
292.07224	2.0
293.04697	0.7
293.07999	5.9
294.05176	6.0
294.08701	1.8
295.05981	93.5
296.06705	5.7
297.04178	0.9
297.07538	7.2
297.11053	0.7
297.12332	0.4
299.05234	0.8
303.06329	0.4
304.07285	1.3
305.08032	2.3
306.08832	1.3
307.05972	50.6
307.09238	1.9
308.06735	19.1
308.09628	0.3
308.16986	1.2
309.03931	1.8
309.07483	17.8
311.05499	0.9
313.06900	3.5
316.07166	0.7
317.08072	5.3
318.08844	1.0
319.05957	3.8
319.09665	1.5
320.06772	5.5
321.07532	53.8
322.04691	1.4
322.08286	15.1
323.05420	3.4
323.09088	8.9
325.07013	73.5
326.07437	0.6
329.08163	2.4
331.06027	1.2
331.09729	1.4
332.06805	0.6
333.07516	27.0
334.07980	2.5
335.05432	2.1
335.09076	18.9
336.06189	4.3
336.09839	1.1
337.07004	30.4
339.04962	1.0
339.08594	2.3
343.09528	1.4
344.06946	0.8
345.07529	5.6
346.08255	2.0
347.05524	1.2
347.09122	17.5
348.06143	0.8
349.07019	62.1
349.10632	3.5
350.07620	2.1
351.08591	33.6
352.08990	0.6
353.06516	1.4
355.08170	1.1
357.07431	3.4
359.09180	5.2
360.06192	1.3
361.06979	31.0
361.10458	1.6
362.07712	1.8
363.04175	0.9
363.08569	13.2
363.13037	0.8
365.06259	0.8
365.10199	8.5
367.08054	7.2
371.09241	0.9
373.06952	10.0
373.10760	0.7
374.07861	2.2
375.08636	18.6
377.05905	2.1
377.10410	4.6
379.08081	100.0
380.08395	1.3
381.09683	1.9
383.09204	0.6
385.06924	5.6
386.08023	0.7
387.08566	8.4
389.05872	1.0
389.07324	0.7
389.10394	4.1
391.08035	25.1
392.08774	0.7
393.09622	2.7
395.07278	0.9
397.09146	56.7
398.09589	0.5
399.08499	2.6
401.05838	0.4
401.10400	3.7
403.08051	25.8
405.09674	13.0
407.07581	0.7
409.09146	34.0
410.09186	0.6
415.10278	19.9
417.09769	4.8
419.11380	5.1
421.09088	19.5
421.14764	0.9
423.10696	0.9
427.10306	17.5
429.09573	3.7
433.09149	26.9
437.12430	1.3
439.10211	16.2
445.09146	15.1
447.10486	2.3
449.08960	0.5
451.10205	45.7
452.10669	0.9
457.11255	39.9
463.10168	6.7
465.11542	1.3
469.11270	62.2
475.10223	13.1
481.04080	1.1
481.11240	45.3
493.11240	34.7
499.12311	34.5
511.12305	51.4
529.13348	58.2
546.36194	0.8
547.14410	36.5
547.22522	1.5
556.17651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1448
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03912	0.1
55.01856	0.2
55.05482	0.2
63.07870	0.1
66.03497	0.1
67.05479	0.3
69.03393	0.5
69.33153	1.5
70.06581	0.1
73.02848	0.1
76.76373	0.1
79.05463	0.4
81.03385	0.5
81.07054	0.6
83.04906	0.2
83.08607	0.1
85.02901	0.7
85.06511	0.1
91.05457	0.3
93.06996	0.4
95.04924	0.3
95.08580	0.5
97.02288	0.2
97.02880	2.9
97.27020	0.1
98.44336	0.1
99.04417	0.6
103.03911	0.2
103.05467	0.1
105.07014	0.7
107.04922	0.3
107.08582	0.3
109.02887	0.7
109.06537	0.2
109.10118	0.4
115.03880	0.4
119.04886	0.3
119.08506	0.2
121.06475	0.4
121.10082	0.2
123.00743	0.3
123.04414	0.7
127.03906	7.3
132.05721	0.1
133.06464	0.5
133.10132	0.3
134.07211	0.2
135.04395	0.2
135.11681	0.2
137.02290	0.4
137.05920	0.3
139.03882	0.2
145.04907	0.3
145.10051	0.3
147.04372	0.4
147.11676	0.1
149.05933	0.2
151.00200	0.2
151.07474	0.1
152.01021	0.7
153.01788	0.6
153.05409	0.2
157.04904	0.3
161.05940	1.3
163.03835	0.2
167.07050	0.2
169.01318	0.3
170.02061	0.7
177.05449	0.2
182.07214	0.2
183.07999	0.7
191.14188	0.2
193.04939	0.2
196.05200	0.3
197.05914	0.2
199.07375	0.2
205.04929	0.3
207.06520	0.3
210.06691	0.3
211.07489	0.9
213.05466	0.5
223.05975	0.5
224.04842	0.1
227.06995	0.4
228.07822	0.5
238.06125	0.2
239.07008	2.3
241.04904	0.9
241.07033	0.4
243.10077	1.1
252.04221	0.2
253.04808	0.7
255.06747	0.7
256.07312	2.3
259.07962	0.2
269.04401	0.6
283.06021	0.3
284.06766	41.4
285.07138	0.3
297.07541	0.3
299.09106	100.0
300.09399	0.8
349.10712	0.3
361.25046	0.1
367.11795	0.9
379.11954	0.3
385.12689	0.5
403.12433	0.3
471.04666	0.2
529.16663	0.3
546.33716	0.2
547.13928	0.2
547.21777	0.3
547.35541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03933	2.4
55.01852	4.5
55.05508	4.2
57.03434	3.5
57.07056	1.5
61.02913	1.6
67.05512	6.8
69.03427	7.0
69.07073	5.7
69.56242	7.3
70.06585	8.1
71.04983	2.9
72.08159	7.6
73.02911	1.4
74.06027	1.0
79.05486	4.1
81.03405	5.2
81.07053	11.8
83.01340	1.6
83.04960	2.7
83.08599	1.2
84.04478	1.8
84.08134	4.2
85.02896	11.3
85.06522	5.7
85.08437	0.8
86.06040	1.4
86.09705	4.4
87.04455	1.9
89.06018	3.6
91.05486	6.5
93.03393	0.8
93.07037	8.6
95.04949	3.4
95.08604	6.6
97.02882	33.1
97.06512	2.7
98.06066	1.0
98.20734	1.7
99.04449	7.2
99.08092	1.7
103.03955	2.7
103.05461	1.3
105.07029	9.1
107.04946	3.0
107.08585	6.9
109.02873	9.4
109.06535	3.2
109.10146	7.7
110.07146	1.0
111.04446	4.7
111.08064	1.4
113.05979	0.9
113.09621	0.9
114.10264	1.6
115.03917	4.3
115.08720	0.9
117.06999	1.9
119.04932	6.0
119.08569	4.3
120.08038	1.4
121.02854	17.0
121.06505	2.5
121.10140	6.3
123.04439	3.2
123.08062	2.3
123.11703	2.8
125.02390	1.0
125.06000	1.7
125.09651	1.5
127.03907	100.0
129.05513	1.8
129.10277	2.3
131.08569	2.8
133.06473	1.8
133.08636	2.2
133.10130	5.7
135.04410	1.6
135.08035	2.0
135.11710	3.3
137.05963	5.2
139.03888	4.3
139.07552	1.8
139.11180	1.3
140.07086	1.8
141.05417	1.1
145.02853	3.3
145.04947	3.2
145.10129	3.2
147.04402	9.1
147.11694	4.5
149.06023	2.6
149.09584	1.1
149.13246	1.9
151.07559	4.0
151.11206	1.4
152.07123	1.0
153.05475	3.0
153.09085	1.1
155.07056	1.3
157.04970	1.7
158.08173	1.4
159.11711	1.7
161.05971	3.2
161.13205	1.4
163.03908	2.5
163.06078	0.9
163.11214	1.9
165.05450	6.5
167.07021	7.9
167.10620	2.0
171.06525	2.0
173.06114	1.0
173.13248	1.7
175.03893	1.3
175.14737	0.9
177.05418	4.2
179.03387	1.1
179.06967	1.8
179.10739	1.6
181.04848	1.4
181.08595	1.1
183.06404	1.1
187.03943	1.7
187.07573	1.3
189.01810	1.6
189.16414	2.7
191.03426	2.1
191.10583	1.6
193.04926	2.0
193.08577	1.0
195.02852	4.2
199.07513	1.1
201.05493	1.4
203.03342	4.3
205.01341	2.1
205.04953	2.9
205.08505	1.4
205.12221	1.1
207.02878	3.9
207.10173	2.8
209.11790	2.2
215.03410	3.0
217.04945	2.2
217.12125	1.0
218.11627	1.2
219.02966	1.3
221.04469	3.0
223.05984	4.1
225.11165	1.5
228.04114	1.0
229.04932	1.5
231.02675	1.2
233.04399	1.9
235.02443	1.1
235.09502	1.2
241.06999	6.5
243.02824	2.4
246.15248	1.2
253.10695	1.4
255.06320	0.9
257.04410	1.0
259.08170	1.5
261.03833	1.4
268.07419	1.8
279.06519	1.9
280.07236	1.0
281.08331	1.4
283.06039	4.3
291.16037	1.6
292.07593	1.2
294.05240	4.2
295.05984	34.5
296.06787	2.2
297.07544	2.6
305.08185	1.2
307.05984	14.2
308.06766	4.0
309.04053	2.3
309.07538	7.5
310.04623	3.0
311.05264	1.1
313.06989	1.9
317.08038	2.7
317.17468	4.3
319.06036	2.6
320.06821	2.3
321.07559	16.3
322.04623	1.4
322.08188	1.8
323.05511	22.6
323.09177	2.1
324.06122	1.5
325.07050	15.1
333.07547	11.7
335.05432	3.4
335.09158	5.0
335.18491	2.9
336.06390	1.3
337.07059	13.5
339.08640	1.2
344.06705	1.1
345.07632	3.5
347.05270	1.1
347.09091	2.8
349.07007	22.0
351.04712	1.4
351.08597	4.0
353.06509	11.8
353.19696	1.5
361.07013	17.6
361.10898	1.5
363.08612	4.9
365.00174	1.0
365.06458	3.0
365.10437	1.4
367.07977	1.6
371.20532	0.9
373.07043	3.0
373.23495	1.0
375.04501	1.4
375.08646	4.0
377.06433	6.4
377.10498	1.8
379.08038	19.6
385.12558	1.2
387.08493	1.7
389.06445	7.2
389.10315	1.3
391.08069	12.0
393.09766	1.2
397.09076	4.1
401.10248	1.4
403.08142	4.5
405.09723	2.2
407.07562	28.8
409.09302	9.3
415.09479	2.5
417.09485	2.5
421.09061	3.6
425.08582	2.8
427.10217	13.4
429.09467	2.0
431.07410	1.1
433.09180	3.7
439.10114	4.2
439.28098	1.5
445.09091	3.8
451.10324	2.4
457.11392	9.7
457.29517	5.5
463.10297	4.6
469.11002	1.1
475.10110	4.6
475.30402	4.1
481.11252	41.4
493.11292	12.7
493.31516	2.6
499.12073	3.9
511.12347	47.8
529.13342	16.2
547.13855	11.8
547.28033	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	546.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.8
55.05505	4.5
57.03439	4.4
57.07066	1.5
62.06083	1.1
65.03925	0.6
67.05498	9.1
69.03400	0.9
69.07063	8.7
70.07400	2.4
71.04975	1.4
71.08625	4.8
72.08137	0.7
79.05499	4.6
81.03394	0.8
81.07053	12.4
83.04984	1.8
83.08606	3.5
84.63593	0.5
85.02923	0.6
85.06527	0.9
91.05462	5.2
93.07041	7.2
95.04978	1.6
95.08599	9.6
95.09150	0.4
97.06526	2.3
97.10170	1.6
98.20826	0.7
98.98466	4.2
99.08080	3.0
105.07027	7.3
107.08581	8.0
109.06519	6.7
109.10141	4.0
111.08076	1.8
117.07023	1.2
119.08578	9.2
121.06490	0.6
121.10139	4.8
123.08059	15.3
123.11722	1.9
125.09653	1.5
129.07031	0.7
131.08554	2.1
133.10109	8.9
135.08046	8.8
135.11665	1.9
137.09547	1.2
137.13260	0.8
143.08620	0.9
145.10117	2.9
147.07980	0.6
147.11694	6.2
149.09599	2.4
149.13266	2.4
151.11157	0.8
151.14774	0.6
157.10138	1.6
159.11748	2.9
161.09612	1.7
161.13254	2.0
162.10382	0.7
163.11235	1.0
163.14804	0.6
165.12764	1.3
167.14395	1.4
171.11597	1.1
173.02119	0.7
173.13239	0.8
175.14825	6.2
177.12737	3.3
177.16359	1.1
179.12712	1.2
179.14299	25.2
185.13245	0.8
187.14803	1.0
191.14346	1.4
193.12167	0.9
193.15921	1.8
201.16331	0.6
205.15863	3.9
216.06369	1.4
219.17455	0.6
231.15892	0.7
233.19073	0.7
263.20026	1.4
275.19962	1.2
277.21640	0.8
289.21674	6.4
289.25012	0.9
293.21136	2.6
303.26846	2.2
319.22726	1.6
331.26282	13.8
337.23846	1.1
347.25864	1.1
349.23480	1.0
349.27350	6.0
357.27942	1.1
358.28601	0.5
361.27179	1.0
369.27945	1.5
374.30493	2.0
375.28842	2.4
387.29010	6.0
405.29971	100.0
406.30316	1.7
485.26526	0.9
503.27618	5.8
546.31671	2.2
546.39111	0.5
547.83307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19625	1.2
53.03935	2.3
55.01857	3.5
55.05497	4.2
55.28975	1.1
57.03420	4.3
59.04990	1.8
59.21713	0.9
61.02917	2.6
63.64879	1.0
65.03921	3.1
67.05489	6.9
68.05015	1.9
69.03423	13.5
69.07072	5.0
70.06586	16.5
71.04985	5.5
71.61893	1.3
71.62265	1.5
72.08153	7.0
73.02892	3.4
77.03921	1.2
79.05479	4.6
81.03419	6.0
81.07050	11.0
83.04975	2.6
83.08604	2.4
84.08123	8.1
85.02889	14.7
85.06535	1.3
86.06065	4.2
86.09697	1.5
87.04451	18.8
90.05542	2.3
91.05469	10.5
93.07023	11.4
95.04958	81.3
95.08617	8.1
96.04478	3.7
97.02882	12.9
97.06518	3.2
98.06045	100.0
98.09682	3.8
99.04453	8.5
99.89870	1.0
100.07592	1.4
101.05990	3.9
103.03932	2.8
103.05465	1.7
105.07024	17.0
107.04956	4.3
107.08579	14.5
109.02862	5.7
109.06512	8.6
109.10142	7.7
110.02380	1.8
111.04419	2.8
112.07604	1.9
114.09132	1.7
116.07066	11.0
117.03405	1.8
119.04926	7.6
119.08559	8.2
121.02854	31.5
121.06444	1.9
121.10143	11.2
123.08073	5.2
123.11695	6.6
125.09682	1.9
127.03889	19.6
128.10718	2.4
131.04948	1.6
131.08578	6.0
133.10115	25.8
134.05959	1.0
135.08025	5.9
135.11690	2.2
138.05486	4.3
140.07050	35.8
143.08469	2.1
145.02846	8.9
145.04922	1.5
145.10106	3.1
146.08080	1.0
146.11729	3.1
147.04387	8.8
147.11673	10.7
149.05991	1.5
149.09662	1.2
149.13242	8.0
152.07031	1.4
153.09081	6.1
156.06537	2.1
158.08093	13.4
158.10925	2.0
159.04385	1.8
160.10892	1.4
161.06015	1.4
161.13210	2.0
163.03853	1.7
165.12764	1.7
167.06912	2.0
173.13211	14.4
175.14821	1.2
176.09167	15.6
177.05458	7.7
179.03374	2.3
183.02896	1.0
187.03877	3.3
188.03683	2.6
189.01762	3.1
189.05426	1.9
191.03377	2.3
191.14279	27.7
195.02867	4.9
199.03983	1.2
201.05475	1.6
203.03368	10.5
203.17905	4.6
205.04922	1.6
207.02884	4.8
209.15358	3.9
211.03918	1.2
215.03395	3.7
217.04881	5.3
218.10153	2.3
219.02861	1.9
221.04420	5.7
221.18967	1.2
223.05957	1.2
224.09143	2.1
227.03383	1.9
229.04962	1.2
233.04440	4.0
243.02901	2.5
245.04428	2.7
246.07683	1.9
255.02876	2.0
257.04691	1.1
260.11197	2.4
261.03958	1.5
267.06516	1.3
268.07358	2.2
269.04364	1.6
273.04001	2.5
278.12427	1.5
279.06476	4.1
280.07230	1.2
281.08060	2.9
283.06003	5.5
284.11197	3.3
290.15872	3.7
291.06448	1.1
292.07184	2.6
293.08102	3.3
294.05258	5.6
295.05984	50.4
295.09143	1.8
296.06827	3.7
297.07550	3.8
302.12311	6.2
305.07916	2.0
306.08759	1.9
307.06024	31.4
307.09476	2.4
308.06659	10.4
308.16989	10.4
309.07535	12.9
313.07016	2.3
317.08102	4.3
319.06155	1.4
320.07355	6.3
320.13351	51.7
321.03729	2.1
321.07526	35.4
321.11157	2.2
322.08243	4.6
323.05734	2.1
323.09140	6.0
323.12479	1.3
325.06998	37.3
329.08005	2.9
333.07587	21.0
334.08173	2.9
335.05591	1.9
335.09128	16.6
336.06274	2.4
337.07025	21.9
338.14392	27.7
338.17618	1.1
339.08575	4.4
345.07538	12.4
347.09149	3.1
349.07010	37.8
351.04599	1.2
351.08572	20.0
358.08197	1.3
359.09100	2.9
361.06961	24.5
361.10629	1.7
362.07523	2.0
363.08624	21.0
365.06311	1.3
367.08087	4.7
371.09229	1.4
373.07016	12.5
375.08594	4.9
379.08087	47.8
381.09106	1.7
387.08633	4.1
389.10266	2.3
391.08078	42.5
393.09540	1.7
397.08908	1.5
399.08704	2.5
401.10193	2.3
403.08044	6.0
405.09583	2.3
409.09131	54.9
415.08057	7.5
417.09604	4.1
421.09033	3.6
427.10233	83.5
429.09479	2.7
433.09161	8.3
435.10577	1.2
439.10071	1.6
445.09106	5.6
457.09641	4.2
463.10266	7.3
475.09946	6.4
481.11258	28.2
493.11203	9.2
499.12241	18.5
511.12326	63.7
528.27795	22.2
528.35187	4.7
529.13336	32.6
529.19299	0.7
546.21631	1.9
546.29083	45.3
546.36237	6.2
547.14331	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	546.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19574	2.0
55.01866	3.8
55.05497	4.5
57.03420	8.0
60.14973	2.2
61.02925	3.5
67.05485	6.5
69.03434	13.3
69.07059	4.4
69.61031	17.8
70.06586	20.3
71.04987	29.6
72.08167	11.7
73.02908	4.2
81.03402	10.2
81.07048	9.6
83.04972	10.5
84.08134	9.5
85.02421	3.9
85.02903	51.0
86.09682	3.6
87.04456	3.8
91.05461	6.9
93.07038	7.5
95.04952	2.6
95.08591	5.8
97.02882	43.3
97.06503	3.5
98.09691	2.7
99.04445	9.3
103.03949	2.9
103.05476	2.8
105.07009	7.7
107.04911	8.0
107.08575	7.2
109.02878	12.4
109.06536	4.1
109.10150	4.7
111.04453	7.6
115.03944	3.9
119.04918	9.8
121.02875	12.9
121.06495	3.5
121.10127	4.2
123.04445	6.0
123.08041	3.3
123.11616	3.3
125.09616	2.9
126.76350	2.1
127.03905	100.0
129.05489	11.7
129.10204	3.5
131.08575	4.6
133.06483	3.7
133.10078	3.0
135.08052	4.0
139.03871	3.2
145.02884	3.3
145.04929	4.8
145.10043	3.6
147.04410	24.0
147.06497	5.7
148.04875	3.4
153.01831	32.3
154.06262	14.2
159.08060	2.8
161.06004	3.9
163.03918	4.3
163.07478	8.8
167.07030	10.3
173.05881	3.6
173.13271	3.9
177.05457	3.4
179.03416	2.6
186.36653	2.6
187.07530	3.4
190.10744	13.7
191.03415	3.7
195.10146	35.0
203.03415	6.5
205.04936	4.2
205.08633	6.3
206.10248	8.3
207.02895	2.8
207.06490	3.2
207.10161	2.3
219.02916	6.3
220.03287	2.2
221.08023	2.6
223.05859	6.0
238.10634	3.7
238.14371	5.3
241.07063	5.1
243.14941	4.6
259.08105	3.1
261.03882	4.4
262.04266	3.8
271.05954	3.2
277.16440	3.0
286.04446	2.5
294.05206	3.4
295.05991	24.0
297.03860	4.4
297.07605	3.0
298.04251	5.2
299.05334	5.0
300.05908	4.8
301.07010	3.8
304.05228	3.7
305.13596	6.0
307.05905	11.0
309.07724	12.8
311.05548	3.1
313.06952	4.3
314.07675	2.3
319.05963	3.2
321.07538	10.2
323.05545	3.6
325.06891	13.3
333.07434	2.7
335.09207	7.5
337.06931	10.6
339.08743	3.8
347.09256	3.1
349.06921	6.0
351.08569	6.6
361.06973	7.8
363.08591	7.2
365.06403	4.2
366.10184	3.6
367.07965	3.3
367.12122	3.8
373.07001	3.3
379.07977	8.8
383.11182	4.1
384.11328	11.5
385.12637	5.7
391.07980	11.5
395.11334	3.9
396.11655	16.2
409.09244	16.5
419.07391	2.8
422.13077	3.7
426.12650	12.7
427.09933	5.1
431.07504	3.2
450.12637	11.4
463.10031	5.4
474.12134	3.3
474.29007	3.8
480.13693	6.3
481.11334	13.5
492.13934	4.2
493.11328	14.8
510.14517	7.9
511.12021	14.6
528.15753	6.6
529.14197	3.6
546.16907	6.4
546.33496	33.9
547.13904	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01869	5.1
55.05255	1.7
55.05507	22.9
57.03436	6.1
57.07060	2.1
60.39072	1.2
62.84154	1.1
65.03941	1.5
67.05500	48.5
69.03425	2.3
69.07055	11.4
70.79264	2.6
70.79622	1.9
71.05000	2.0
73.15802	0.9
79.05486	26.9
81.03410	20.5
81.07052	43.9
83.04987	3.7
83.08128	1.8
83.08599	12.0
85.06531	1.8
91.05471	23.9
93.07036	28.8
95.04967	14.7
95.08606	27.6
97.06530	4.2
97.10165	12.8
97.77225	1.1
98.43609	0.9
105.07024	21.9
107.04927	5.8
107.08574	20.1
109.06527	4.2
109.10149	19.7
111.08060	3.7
113.60340	0.8
113.61384	0.9
115.05452	1.3
115.10746	1.0
117.07005	10.2
119.08574	21.6
121.06509	7.3
121.10133	15.5
122.11382	1.0
123.08067	3.1
123.11707	7.6
125.09627	10.5
129.06985	5.3
131.08566	15.1
133.06543	1.4
133.10127	12.8
135.08047	5.1
135.11682	8.7
137.09631	3.2
137.13211	1.5
141.06961	1.5
142.07755	1.8
143.08549	6.1
145.06467	2.0
145.10097	14.8
147.08067	3.5
147.11688	8.4
149.09621	2.8
149.13239	4.2
155.08536	3.1
157.10121	6.7
159.08109	1.5
159.11678	9.4
161.09554	2.4
161.13287	6.0
163.11166	2.6
163.14828	2.9
165.12820	1.2
169.10043	2.4
171.11676	5.7
173.13260	6.3
175.11183	3.2
175.14816	2.7
177.12784	1.7
181.10120	1.5
183.11684	3.0
185.13268	4.6
187.14818	4.4
189.11160	5.8
193.10530	1.0
193.12213	5.6
195.11673	2.4
197.13205	1.7
199.14883	1.7
201.16342	2.2
203.14345	1.2
213.16440	1.5
227.12753	11.0
228.13089	1.5
233.15381	1.5
243.21178	2.1
247.16975	2.5
255.17348	1.3
261.18729	1.2
261.22168	9.1
267.15906	20.3
273.21991	1.4
283.24326	1.4
285.22119	3.9
287.19919	2.5
289.21854	1.2
299.23758	2.2
301.25208	13.6
303.23276	2.1
317.24936	1.5
329.20984	1.8
335.25745	15.1
341.24713	1.3
403.24933	1.4
417.31570	1.7
421.25940	3.8
435.27228	3.3
435.32727	4.9
453.33640	9.5
471.34866	8.2
509.36206	1.3
527.37280	50.1
528.37738	2.0
545.38336	100.0
546.38660	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
53.86390	0.8
54.17838	0.8
55.01855	3.7
55.05257	1.7
55.05508	23.6
55.05774	1.4
56.05801	0.8
57.03432	6.5
57.07062	1.8
59.04973	1.0
65.03932	1.5
67.05499	45.2
69.03416	2.5
69.07063	11.0
69.32946	4.6
69.33370	4.8
71.04982	2.8
71.07032	0.9
79.05484	29.9
79.61535	0.8
81.03417	17.0
81.06571	2.1
81.07050	40.6
83.04967	4.8
83.08614	13.8
85.02878	1.2
85.06528	2.0
91.05475	20.1
93.07037	26.4
95.04961	14.7
95.08595	25.1
97.06519	3.9
97.10173	13.7
99.08085	1.0
105.07018	19.8
107.04945	4.4
107.08588	17.5
109.06514	4.0
109.10152	18.2
111.08055	4.4
115.05438	1.2
117.06996	10.5
119.08558	17.8
121.06494	4.7
121.10133	12.1
123.08065	3.9
123.11692	6.0
125.09621	12.9
129.07021	7.0
131.08551	16.0
133.06473	1.5
133.10114	14.8
135.08075	4.5
135.11673	8.5
137.09641	3.0
142.07793	1.7
143.08549	5.4
145.06464	1.7
145.10106	13.8
147.08028	2.6
147.11699	10.5
149.09633	3.2
149.13257	4.0
151.11206	1.2
155.08554	3.0
157.10127	5.6
159.11670	10.3
161.09616	2.1
161.13185	5.6
163.11172	1.5
163.14870	1.5
165.12759	1.2
169.10101	3.4
171.10304	1.2
171.11703	3.8
173.09529	0.9
173.11887	1.3
173.13231	7.3
175.11224	2.8
175.14851	3.1
177.12753	2.4
181.10074	1.5
183.11707	2.5
185.13275	4.0
187.11147	0.9
187.13277	1.3
187.14771	5.8
189.11240	9.7
189.12759	1.1
189.16389	1.0
193.10495	1.4
193.12180	6.0
195.11731	1.2
197.13283	1.6
199.14917	1.5
201.12651	0.9
201.16330	1.4
203.14250	0.9
211.13184	2.2
211.14891	1.5
213.16365	1.2
215.14374	1.1
219.13788	1.1
225.16539	1.0
227.12796	11.9
227.18030	1.0
233.15428	1.9
243.21092	2.6
243.79739	1.0
247.16913	2.5
249.14838	1.4
254.89983	0.8
261.19547	1.2
261.22150	8.9
267.15878	20.8
267.21313	1.2
273.18686	1.0
273.22037	0.9
279.23419	1.3
281.20950	1.3
283.24118	1.2
285.22177	2.8
287.20181	1.7
290.59915	0.9
293.21036	1.8
299.23755	2.0
301.21875	2.1
301.25223	14.7
303.23209	1.3
317.24692	1.5
327.23026	1.1
329.20966	1.2
335.25751	16.0
359.25848	3.1
403.24567	0.9
417.31439	1.0
421.25534	4.4
435.27188	3.4
435.32684	6.4
449.28754	1.6
453.33588	12.0
471.34921	7.1
509.36224	1.8
527.37280	52.8
528.37579	1.9
545.38324	100.0
546.38672	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01865	2.8
55.05259	1.9
55.05508	23.8
57.03432	6.5
57.07040	1.7
62.01179	1.1
65.03930	3.4
67.05502	41.8
69.03420	2.3
69.07065	12.4
70.88695	2.6
70.89063	1.6
71.04990	3.7
79.05052	2.4
79.05488	36.9
81.03410	26.6
81.07053	43.6
83.04967	4.7
83.08611	15.5
85.02895	9.6
91.05473	29.9
93.06457	2.5
93.07036	36.5
95.04964	16.6
95.08601	29.0
97.02879	2.2
97.06520	4.5
97.10152	8.4
99.08051	1.9
105.07021	24.8
107.04990	3.4
107.08585	20.1
109.06516	4.0
109.10152	17.2
111.08070	5.4
115.05460	1.6
117.07019	9.1
119.08576	22.1
121.06519	3.0
121.10143	17.6
123.08098	3.0
123.11684	4.2
125.09599	7.3
129.06985	5.6
131.08553	16.9
133.06454	2.1
133.10124	14.0
135.08055	2.9
135.11694	9.9
137.09645	1.4
137.13231	1.4
139.52455	1.3
142.07822	1.7
143.08568	3.9
145.10115	11.4
147.08032	3.0
147.11678	9.4
149.09619	3.4
149.13243	4.2
155.08537	1.9
157.10110	9.0
159.11650	7.0
161.09612	1.6
161.13260	5.0
163.14787	2.1
169.10091	1.9
171.11693	4.0
173.13266	6.9
175.11148	7.3
175.14856	2.3
183.11656	2.6
185.13242	2.7
187.14857	2.8
189.11220	4.2
193.12218	19.7
195.11691	1.4
197.13290	2.5
199.14804	1.4
211.13254	18.7
211.14986	1.9
227.12738	5.7
230.39291	1.6
243.21140	1.7
247.16982	1.3
261.22168	7.0
267.15796	11.4
281.21188	1.6
285.21933	2.1
301.25101	6.8
335.25729	9.1
359.25943	1.6
435.32602	5.4
453.33826	7.6
455.37088	1.3
471.34366	5.8
489.69724	1.2
509.36353	2.8
527.37286	31.6
527.44440	2.2
530.85229	1.3
545.38342	100.0
546.38544	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
53.03946	3.7
54.95889	0.6
55.01864	2.5
55.05506	18.8
57.03431	6.7
57.07056	2.0
58.72596	0.6
59.05009	0.9
65.03931	3.0
67.05500	41.8
69.03419	3.1
69.07060	12.2
70.28630	1.4
70.29025	1.6
71.04987	4.7
79.05488	43.1
81.03412	31.6
81.07051	43.6
83.04974	6.5
83.08618	15.3
85.02898	14.9
85.06526	1.5
91.04901	0.7
91.05472	30.8
93.07036	38.7
95.04964	17.9
95.08598	25.9
97.02869	1.4
97.06505	3.5
97.10162	5.1
99.08101	1.2
105.04552	1.1
105.07023	25.0
107.04935	4.0
107.08583	18.2
109.06513	3.3
109.10146	11.1
111.04420	1.0
111.08083	6.1
113.05999	1.6
115.05434	1.2
117.07018	6.2
119.08563	17.9
121.06508	1.8
121.10143	17.1
123.08060	2.4
123.11666	2.7
125.09615	3.6
129.07002	7.1
131.08557	12.6
132.12321	0.6
133.06503	1.2
133.10126	10.9
135.08006	1.2
135.11690	7.3
137.09607	0.9
137.13203	0.9
139.10011	0.7
142.07758	1.4
143.08571	2.1
145.10117	7.5
147.08058	1.8
147.11679	11.2
149.09592	2.9
149.13269	3.5
151.11206	0.9
155.08565	0.9
157.10123	7.4
159.11693	4.9
161.09651	0.7
161.13274	3.4
163.11137	0.8
163.14853	1.0
165.12801	1.8
169.10089	1.0
171.11703	1.9
173.11891	0.8
173.13225	3.7
175.11177	7.0
175.14825	2.0
181.26015	0.6
183.11653	1.2
185.13310	1.4
187.14841	2.0
189.11266	1.0
193.12239	28.2
197.13174	1.0
199.14723	0.8
201.16360	0.9
211.13278	31.6
227.12825	1.9
243.21039	1.0
261.22064	4.8
267.15860	5.7
285.16794	0.9
301.25259	2.8
317.24704	2.1
335.25781	5.4
359.25830	0.9
386.36414	0.7
435.32532	3.1
453.33414	2.4
471.34570	2.0
509.36020	1.3
527.37323	15.0
528.37640	0.7
545.38336	100.0
546.38477	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
53.03936	2.4
55.01857	3.3
55.05507	18.9
57.03432	6.7
57.07067	1.8
59.04993	1.0
65.03928	3.0
67.05499	45.7
69.03422	2.7
69.07064	13.3
71.03596	1.0
71.04996	4.2
71.33203	0.6
77.03958	0.8
79.05488	40.1
81.02914	0.8
81.03412	31.1
81.07053	42.3
83.04976	8.0
83.08610	14.4
85.02903	14.4
85.03957	0.6
85.06524	2.7
91.05479	33.1
93.07039	37.8
95.04964	20.3
95.08601	25.3
95.09216	1.1
97.02869	1.0
97.06525	4.5
97.10168	5.9
99.08065	1.4
105.07025	25.2
107.04949	3.3
107.08589	19.4
107.09283	1.3
109.06539	4.1
109.10152	9.9
111.04434	1.0
111.08062	6.4
113.06014	1.3
115.05440	0.8
117.07022	7.2
119.08573	19.0
121.06502	2.0
121.10136	17.8
123.08065	2.3
123.11712	3.6
125.09636	3.7
129.06989	6.5
131.08557	14.5
133.06456	2.0
133.10117	11.6
135.08052	1.3
135.11691	8.5
137.09605	1.7
141.06995	0.8
142.07741	1.6
143.08562	3.0
145.10132	7.0
147.08058	2.4
147.11670	13.2
149.09586	3.0
149.13237	3.7
152.05644	3.0
155.08519	1.3
157.10097	7.8
159.11699	5.5
161.13319	3.6
162.09048	2.9
163.14809	1.7
165.12791	1.6
169.10118	1.4
171.11688	2.2
173.13298	4.0
175.11163	7.1
175.14897	1.1
183.11710	1.6
185.13284	2.0
187.14832	1.8
189.11212	2.4
189.16426	0.7
193.12238	26.8
197.13289	0.9
199.14816	0.9
201.16467	1.3
211.13278	33.0
227.12810	2.4
243.21170	1.3
243.32089	0.6
247.09662	0.9
249.14935	0.8
252.23888	0.7
252.85837	0.6
261.22113	4.9
267.15854	4.9
285.16736	0.7
285.22092	1.1
297.22049	0.8
301.25272	3.5
303.23099	1.1
317.24817	1.1
335.25742	4.8
341.24542	0.7
359.25632	1.5
417.31329	1.1
435.27213	0.8
435.32541	2.7
453.33765	2.6
471.34717	3.1
509.35806	1.1
527.37323	15.5
545.38306	100.0
546.38544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01855	3.3
55.05261	1.7
55.05505	24.7
57.03423	5.9
57.07069	2.8
65.03925	2.9
67.05499	46.0
69.03400	3.1
69.07058	12.5
70.90109	2.4
70.90452	1.1
71.04974	2.1
74.50497	1.0
79.05486	30.7
81.02972	1.6
81.03413	19.5
81.07047	44.6
83.04972	4.8
83.08604	15.2
85.06521	2.0
87.07100	1.0
91.05475	26.2
93.07032	29.4
93.28961	1.0
95.04965	17.6
95.08599	27.7
95.09215	1.5
97.06507	4.7
97.10160	16.2
101.53764	1.1
105.07021	22.2
107.04955	4.1
107.08586	23.0
109.06505	4.5
109.10142	23.5
111.08081	3.5
113.17776	1.1
115.05420	1.8
117.07001	10.2
119.04955	1.1
119.08571	20.6
121.06483	7.6
121.10126	12.4
123.08088	3.5
123.11688	7.7
125.09621	14.8
127.93480	1.3
128.06184	1.4
129.06993	7.4
131.08563	19.0
133.06505	1.4
133.10120	17.2
135.08086	5.1
135.11688	10.6
136.97028	1.1
137.09596	3.5
137.13277	1.4
141.06944	2.2
142.07747	2.3
143.08545	6.8
145.10115	14.0
147.08043	2.9
147.11678	7.7
149.09650	3.8
149.13252	4.4
153.09056	1.3
155.08540	2.5
157.06483	1.3
157.10143	9.6
159.08057	1.5
159.11658	11.1
161.09669	2.4
161.13234	7.0
163.11198	2.5
163.14828	1.4
165.12633	1.6
169.10153	2.9
171.08054	1.2
171.11667	5.1
173.13205	8.4
175.11189	4.0
175.14848	4.2
177.12776	2.6
181.10104	1.9
183.11748	2.8
185.13280	4.3
187.11301	1.4
187.13301	1.8
187.14841	3.7
189.11192	8.1
189.12665	1.3
189.16417	1.8
193.12245	7.9
195.11819	1.6
197.13434	2.5
199.14830	2.0
201.16479	2.1
203.14334	1.6
213.16234	1.3
215.17952	1.4
225.16357	1.2
227.12704	9.2
243.21126	2.9
247.17056	1.9
249.14775	1.7
251.16730	1.0
261.22128	12.2
267.15909	23.0
275.20050	1.6
279.19693	1.5
279.23001	1.3
283.23917	1.8
285.22180	3.3
287.19998	2.4
299.23648	2.1
301.25143	14.0
317.24893	2.1
327.23270	1.4
329.21280	1.2
335.25885	17.2
359.25797	2.5
361.23743	1.1
403.24744	2.4
417.26599	1.4
417.31708	2.6
421.25940	3.0
435.27362	1.6
435.32590	5.7
453.33652	12.5
461.28589	1.3
471.34891	9.7
509.36032	2.0
527.37274	54.0
528.37695	2.0
545.38361	100.0
546.38519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01862	3.2
55.05260	1.7
55.05508	23.3
57.03436	7.5
57.07058	2.9
65.03919	2.3
67.05501	46.9
69.03413	2.7
69.07066	12.6
70.56793	2.8
71.04987	2.6
77.03878	1.2
78.46154	1.0
79.05488	30.8
81.02914	0.9
81.03415	20.2
81.07053	45.8
83.04970	4.4
83.08614	15.4
84.09788	0.9
85.02876	1.3
85.06538	2.2
85.36693	0.8
91.04893	1.0
91.05477	24.6
93.07040	29.8
95.04963	14.9
95.08600	33.1
97.06504	3.6
97.10166	14.5
99.08067	1.4
105.07027	21.1
107.04934	6.1
107.08585	20.0
109.06501	3.7
109.10145	19.7
111.04388	1.1
111.08070	2.8
113.09653	0.9
115.05444	1.1
117.07014	13.0
117.21379	1.0
119.08573	21.4
121.06512	6.2
121.10136	15.1
123.08065	3.2
123.11691	7.1
125.09624	12.7
128.06189	1.0
129.07010	7.3
131.08566	17.5
133.06483	2.3
133.10123	14.0
135.08044	5.9
135.11682	9.7
137.09587	2.8
137.13264	1.3
142.07820	1.5
143.08560	6.7
143.10643	1.1
145.06558	1.5
145.10095	11.3
147.08018	2.1
147.11687	10.8
149.09581	5.0
149.13228	3.2
155.08580	2.6
157.10141	8.7
159.11682	10.3
161.09608	1.1
161.13297	6.1
163.11147	2.5
163.14815	2.7
165.12793	1.2
167.08400	1.0
169.10146	3.1
171.08051	1.1
171.10460	1.0
171.11664	6.1
173.09605	1.6
173.13232	7.1
175.11176	3.5
175.14803	3.3
177.12715	1.5
177.16446	0.9
181.10106	1.6
183.11736	2.8
185.13252	4.6
187.14854	4.2
189.11226	9.2
189.12723	1.8
189.16310	1.6
191.14281	1.7
193.12215	8.5
195.11653	1.2
197.13235	2.6
199.14810	2.8
201.12698	1.6
201.16339	1.4
205.12427	1.3
205.16037	1.5
209.13219	1.3
211.13181	1.7
213.16507	1.7
219.17456	1.0
227.12733	8.4
231.17599	1.2
233.15419	1.3
237.06291	1.0
243.21048	2.3
247.16881	1.7
249.14848	1.7
259.20862	1.1
261.22141	10.5
267.15915	20.5
279.23264	2.1
281.21234	1.7
283.24152	1.1
285.22183	2.7
299.23569	1.8
301.21906	1.5
301.25143	13.5
315.23105	1.2
329.21103	1.3
331.22861	1.3
335.25818	16.7
357.27966	1.1
359.25900	1.5
361.23575	1.4
394.62479	1.0
417.26276	1.4
417.31403	2.6
421.25766	3.7
435.27353	2.1
435.32578	5.8
449.28955	1.2
453.33542	11.1
471.34784	9.0
475.30911	1.8
489.35526	1.1
509.36270	2.1
527.37299	52.8
528.37494	2.0
545.38348	100.0
546.38995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.01856	6.4
55.05513	11.0
57.03432	24.9
57.07059	1.9
59.93067	1.9
61.02914	5.3
65.03922	3.8
66.32655	1.6
67.05500	33.7
69.03428	11.0
69.07069	10.3
70.06580	2.9
71.01353	2.9
71.04979	8.6
71.63382	1.8
73.02898	4.1
79.05492	19.1
81.03407	10.7
81.07047	26.6
83.04973	6.7
83.08607	3.3
85.02899	19.9
85.06528	23.9
91.05462	15.1
93.07040	14.0
95.04961	41.0
95.08610	16.7
97.02864	10.8
97.06516	7.9
97.10150	4.5
99.04459	2.4
105.07029	14.4
107.04962	10.5
107.08582	17.8
109.02867	8.1
109.06507	34.7
109.10157	8.5
111.04425	1.9
111.08052	4.5
113.05988	56.7
117.07002	8.3
119.04958	5.1
119.08566	14.4
121.02856	5.6
121.06473	5.9
121.10139	9.0
123.04392	7.2
123.08044	5.1
123.11701	4.8
125.06004	4.1
127.03884	17.2
129.06979	6.0
131.04953	3.4
131.08527	14.4
133.06459	3.3
133.10136	9.8
135.04372	2.3
135.08037	27.4
135.11705	5.2
137.05959	3.9
139.03917	2.9
143.08543	7.1
145.06485	2.6
145.10112	12.7
147.04417	5.5
147.08003	3.7
147.11690	4.9
149.02342	2.2
149.09648	5.4
149.13271	3.5
153.01791	2.2
153.05453	2.6
157.06432	2.1
157.10120	6.1
159.08041	3.8
159.11661	5.6
161.05937	3.5
161.09555	7.7
161.13306	2.4
163.03815	2.6
163.11116	2.6
165.09256	2.6
167.07031	6.4
171.08115	2.4
171.11665	5.0
173.13277	4.2
175.11201	3.9
177.05408	3.6
179.03377	5.1
189.09131	2.9
197.04407	5.4
199.14906	4.5
207.06474	2.9
209.00764	3.6
217.15833	8.5
227.01920	2.9
229.04968	6.5
235.18025	2.3
249.07602	4.0
255.06248	2.9
257.04471	5.6
269.04440	3.9
273.18457	21.4
283.05917	6.3
285.03952	3.6
286.04617	4.4
287.05414	5.9
291.19485	60.3
295.05969	7.4
297.03885	17.9
297.07144	3.0
298.04541	4.2
299.05423	3.3
307.18939	3.0
309.03882	64.0
309.07535	68.5
310.04282	5.3
310.07803	2.7
311.05432	5.8
313.07010	13.7
321.07593	2.2
323.28809	2.4
325.07153	3.4
327.04950	11.0
327.08618	28.9
332.06876	2.7
333.07632	2.5
337.06711	2.5
339.08578	11.8
345.11148	4.6
347.09067	14.4
347.22037	7.4
351.04758	2.7
351.08591	3.5
363.12204	20.4
365.10266	21.9
365.23190	100.0
377.16321	2.4
381.13373	10.1
383.11020	63.7
383.14798	7.0
384.11371	4.6
395.11105	4.2
471.09058	14.4
489.14401	18.7
527.15680	26.3
528.16058	2.7
545.17334	19.7
545.34009	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	545.2014
Annotation	7,5'-Dihydroxy-5,4'-dimethoxy-3'-prenylisoflavone 7-O-galactoside
Peak:m/z	Relative Intensity
53.03916	0.3
54.77744	0.2
55.01836	0.2
55.05479	0.4
57.03387	0.4
59.04946	0.2
61.02869	0.9
64.18764	0.2
67.05460	0.3
69.03425	2.8
69.03777	0.2
70.56607	0.1
71.01311	0.2
71.04981	0.2
71.14340	0.3
73.02859	0.5
79.01814	0.2
79.05460	0.3
81.03419	0.8
81.03765	0.2
82.69801	0.2
85.02902	4.7
87.04402	0.5
91.05471	1.2
93.06969	0.2
95.04937	0.4
97.02892	1.3
99.04388	0.6
101.02306	0.3
103.03958	0.1
107.04894	0.2
107.20645	0.1
109.02846	0.4
119.04949	1.0
121.02883	0.7
123.04409	0.3
127.03897	0.9
131.04866	0.3
135.04446	0.2
141.05432	0.4
145.02808	0.3
145.04944	0.2
147.04404	3.0
163.03818	0.5
165.05498	1.1
179.08478	0.3
181.04948	0.4
182.07251	0.1
183.08015	0.2
187.03883	0.2
191.03387	2.2
197.09639	0.2
207.08058	0.3
209.04477	1.7
210.06734	0.2
225.08984	0.5
235.07529	0.3
237.05334	0.2
239.07095	0.2
247.87939	0.2
253.08620	1.2
255.06444	0.7
263.06970	0.4
266.05789	0.2
267.06451	0.3
280.07202	0.2
281.08093	3.6
283.05927	0.1
291.06479	1.2
294.05035	0.2
308.06851	0.2
309.07541	100.0
310.07901	1.5
311.05542	0.2
323.08917	0.3
324.06085	0.2
327.08585	7.7
333.07550	0.4
351.08627	3.5
365.13828	3.5
369.09790	0.3
375.08487	0.3
378.83994	0.2
383.14890	13.5
425.15875	0.3
426.89865	0.1
471.12863	10.3
489.13882	18.4
490.14270	0.3
527.19159	2.5
545.20184	28.4
546.20483	0.6
573.27649	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	545.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80050	0.5
53.03973	1.9
55.01888	1.2
55.05512	3.4
57.03425	3.2
57.07102	1.2
59.05005	0.8
61.02910	3.5
67.05489	4.8
69.03420	13.2
69.07051	4.1
69.58241	3.4
69.58676	2.0
71.01385	1.2
71.05018	2.4
72.08176	1.0
72.74521	0.7
73.02945	2.8
79.05496	4.1
81.03410	7.0
81.03831	0.5
81.07043	11.4
83.01349	0.6
83.05013	2.9
83.08627	1.6
85.02893	18.4
85.06541	3.6
87.04514	2.8
91.03974	0.9
91.05456	4.7
93.07038	7.8
95.05003	2.5
95.08597	8.3
97.02872	13.2
97.06564	1.9
98.03254	1.0
98.06023	0.7
99.04461	3.6
99.08098	0.8
101.02399	0.9
105.07018	5.0
107.04967	1.7
107.08588	6.9
109.02873	3.4
109.06534	2.7
109.10133	6.6
111.04489	0.9
111.08113	0.9
111.11730	0.8
113.09602	0.7
115.03994	0.9
117.07030	1.0
119.04971	2.4
119.08558	4.6
121.02915	2.9
121.06577	0.9
121.10143	5.0
123.04483	2.4
123.08115	0.9
123.11686	3.8
123.19843	0.6
125.06040	1.7
125.09650	1.7
127.03896	8.9
129.06981	0.8
131.08585	1.9
132.70715	0.6
133.10133	4.3
134.03629	0.8
135.04425	2.4
135.08081	1.2
135.11636	4.5
137.02390	1.9
137.05986	2.1
137.09691	0.7
137.13257	0.8
139.03888	5.3
139.11179	0.8
141.05550	0.7
143.08531	1.6
145.04984	1.3
145.10146	2.4
147.04390	3.1
147.08018	1.0
147.11716	2.4
149.02335	1.8
149.05963	0.8
149.09683	1.0
149.13263	1.8
151.07571	0.9
153.05495	3.7
153.06845	0.8
153.09146	1.2
157.05075	0.8
157.10152	0.8
159.08023	1.1
159.11699	2.4
161.02338	1.0
161.09570	0.8
161.13312	2.1
163.11194	0.7
163.14809	1.1
165.09113	1.0
167.03421	1.6
167.07053	2.2
169.04973	1.5
169.10187	0.9
173.06113	0.9
173.13281	1.5
175.07655	0.7
175.11211	1.5
175.14879	2.0
177.01796	0.7
177.05527	0.7
177.16342	0.7
179.03358	1.5
179.07060	0.8
179.10637	0.7
181.06503	1.1
185.04454	1.5
187.07578	0.8
187.11200	0.9
187.14799	1.1
189.12804	0.8
189.16458	0.9
191.10687	1.1
193.08565	1.6
195.10138	1.1
197.04436	2.3
199.03879	0.8
199.07585	2.8
203.17886	0.9
209.06021	1.0
215.10719	0.9
216.04192	1.5
217.04971	1.0
217.12433	0.8
227.07004	3.9
231.06561	1.4
237.05327	3.6
242.05714	0.8
255.06438	3.2
260.08282	0.7
263.10577	1.0
265.04929	1.3
270.05240	1.6
271.05936	1.2
275.06860	1.3
276.07486	1.1
277.08469	1.2
281.11774	0.9
283.05975	37.9
285.07452	1.3
291.10065	1.1
293.07925	1.3
294.08649	1.1
295.05746	1.5
297.04111	0.8
297.07410	0.8
298.04642	1.8
299.05557	0.8
300.06284	0.9
303.06451	1.4
304.07266	1.1
305.07990	0.8
306.08737	2.0
307.05899	1.2
309.07483	3.0
309.10898	1.4
310.07840	1.8
311.08185	2.5
312.06049	1.0
313.07010	100.0
314.07254	0.7
317.08121	0.9
321.07449	2.9
322.08188	3.4
323.08832	2.3
324.06375	0.8
325.06885	0.9
332.06644	3.6
334.08224	0.9
335.09009	1.5
336.09613	0.9
337.06931	0.6
337.10663	9.1
339.08557	1.1
347.08780	8.1
349.06714	1.4
349.10645	1.0
350.07745	7.4
355.08081	1.1
355.11719	11.5
363.12283	2.3
364.08499	0.8
364.12430	2.1
365.10025	91.0
366.10471	0.7
381.13153	1.9
382.13409	2.4
383.10843	35.5
407.11176	2.4
411.28757	1.8
429.29718	2.7
447.30859	1.9
473.28595	2.7
475.12448	6.6
491.29568	2.3
509.14142	0.9
509.30789	2.5
517.16931	3.7
527.15387	55.9
544.91736	0.9
545.16760	40.6
545.32867	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	545.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
55.01835	0.4
55.05473	1.3
56.03381	0.4
57.03396	0.7
61.02900	0.6
67.05450	1.4
69.03424	2.3
69.07018	1.2
70.06535	0.6
70.22295	1.9
71.04948	0.9
79.05436	1.5
81.03364	1.1
81.07046	2.9
83.04946	0.7
83.08545	0.5
84.08102	0.4
85.02897	3.6
85.06504	0.7
87.04393	0.4
91.05432	1.3
93.07010	2.2
95.04929	0.8
95.08593	2.7
97.02834	1.6
97.06462	0.8
97.10126	0.5
98.21454	0.6
99.04415	1.2
103.05439	0.7
105.07036	2.4
107.04917	0.6
107.08595	2.3
109.02812	1.4
109.06444	0.6
109.10157	2.3
111.04419	0.5
117.06970	1.3
119.08515	1.2
121.02873	0.6
121.06438	0.7
121.10080	1.8
123.04363	1.7
123.07985	0.6
123.11701	0.6
125.05948	0.5
125.09557	0.6
127.03908	3.4
129.06958	1.8
131.04910	0.9
131.08501	1.2
133.06448	0.5
133.10081	1.0
135.07983	0.6
135.11670	1.0
137.02267	1.8
137.05905	1.0
139.03876	1.2
139.07533	0.5
143.08459	0.5
145.06470	0.6
145.10071	0.9
147.04337	1.3
147.11574	1.2
149.13187	0.8
151.03876	2.2
153.05452	0.8
157.06419	1.3
159.04404	6.2
159.07974	0.9
161.13219	0.5
163.11156	0.4
167.07018	1.0
169.04944	0.6
173.13159	0.6
175.14700	0.6
177.05464	0.7
179.14185	0.6
179.90761	0.5
185.05957	1.8
185.09471	0.5
187.07559	4.3
189.05365	1.8
193.12386	0.4
203.06958	2.4
203.17949	0.5
213.05447	24.4
215.10692	0.5
231.06487	1.5
245.09682	0.7
255.06479	1.1
265.08536	0.7
276.07797	0.5
283.06006	0.6
283.09137	0.5
291.10046	0.6
293.07947	0.6
297.03784	1.3
297.07358	0.8
298.05383	0.4
305.07932	0.7
307.06131	0.8
309.07428	1.0
309.10956	0.7
311.05447	6.0
319.09586	3.5
321.07547	0.6
322.08221	2.0
323.05399	1.0
323.09067	1.0
325.06909	2.0
333.07571	0.6
336.05823	0.4
337.07159	0.9
337.10632	2.8
339.08380	0.9
341.10010	0.8
347.09100	23.3
349.07047	2.9
350.07928	3.6
365.10159	97.6
366.10568	0.9
383.11148	9.7
383.15540	0.6
383.27551	0.7
429.29959	0.9
447.30478	0.5
473.29007	0.9
491.29822	1.2
509.30789	1.1
527.15448	100.0
528.15955	1.7
545.16058	2.7
545.34125	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	545.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01869	1.5
55.05503	2.0
57.03417	1.6
57.07051	0.7
59.04977	0.8
61.02928	0.7
67.05500	3.3
68.99785	0.6
69.03433	4.5
69.07063	2.1
70.06602	0.6
71.04974	1.5
71.62350	0.9
71.62753	0.7
72.08168	0.7
73.02882	0.8
74.61835	0.6
77.76473	0.5
79.05481	2.2
81.03406	2.9
81.07053	6.1
83.01345	1.2
83.04983	1.6
83.08615	0.9
85.02901	6.8
85.06538	2.2
91.05482	3.3
93.07043	5.8
95.04955	1.7
95.08595	4.8
97.02891	4.4
97.06532	1.1
97.10131	0.6
99.04447	1.5
103.05477	1.0
105.07031	3.8
107.04981	2.6
107.08591	4.9
109.02849	2.8
109.06497	2.4
109.10141	3.3
111.08087	0.6
113.06017	0.9
115.05441	0.8
117.07008	3.5
119.04932	1.5
119.08578	2.3
121.02856	0.5
121.06509	1.6
121.10139	2.3
121.81873	0.5
123.04462	2.8
123.08028	0.7
123.11691	2.3
125.05980	1.2
125.09612	1.1
127.03914	10.4
128.06226	0.6
129.07008	1.5
131.04926	1.3
131.08557	2.3
133.06522	1.0
133.10101	2.1
135.04436	1.5
135.08038	8.4
135.11693	1.7
137.02309	1.1
137.05988	3.1
137.09596	0.7
139.03918	1.7
143.08568	0.6
145.06474	1.2
145.10123	1.3
147.04402	3.2
147.08083	1.0
147.11679	2.0
149.05977	0.7
149.13278	1.5
151.03874	3.0
151.07545	1.1
153.01823	0.7
153.05452	1.4
157.06491	1.6
157.10121	0.8
159.04416	4.3
159.08032	0.9
159.11702	1.1
161.02316	0.8
161.05991	1.1
161.09633	0.8
161.13324	1.1
163.03897	0.9
163.07544	2.4
165.05511	1.3
165.12706	0.5
167.07042	1.5
171.04514	0.7
171.07997	0.9
173.09637	0.7
173.13284	0.6
175.03947	0.8
175.07509	1.3
177.05504	1.0
177.16452	0.7
185.05946	1.4
187.07547	3.4
187.11250	0.8
189.01787	3.2
189.05475	5.0
189.12756	0.6
193.04907	0.7
195.02829	0.9
203.03470	0.7
203.05290	0.8
203.07069	3.4
203.14227	0.6
207.02882	4.1
207.06523	1.6
213.05450	16.2
213.07420	1.0
216.04213	0.9
216.07658	1.3
217.05051	0.9
219.06493	1.0
231.06522	16.9
241.04482	0.6
249.07552	11.2
251.68239	0.7
255.06561	1.4
258.83862	0.6
271.05814	0.6
277.08694	1.2
279.23303	0.5
283.05890	1.2
291.10165	1.4
293.04480	1.1
297.03870	1.1
297.20532	1.1
301.08844	0.7
305.08130	0.8
307.06009	0.7
307.09576	0.5
309.07535	20.3
310.04596	0.7
311.05518	1.3
314.04214	1.1
319.09689	1.3
322.08499	0.6
323.09210	1.3
325.06934	2.5
326.07819	0.8
327.08588	5.3
329.08133	5.0
331.05823	0.8
332.06805	1.0
336.06122	0.7
337.10587	1.6
339.08606	2.2
341.06601	1.0
341.10074	3.6
347.09122	11.2
349.07202	0.6
350.07880	3.7
351.08585	0.7
353.06583	1.8
354.11063	0.9
365.10181	63.9
366.10483	1.0
368.08917	1.4
383.11066	52.5
383.14893	6.8
411.28796	0.9
425.12524	1.0
429.30084	1.0
447.31271	0.9
473.29120	1.2
491.30231	2.3
509.30789	1.6
527.15466	100.0
528.15680	1.6
545.19934	16.1
545.33899	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03934	2.2
55.01869	2.5
55.05507	13.1
57.03428	3.2
57.07074	1.5
65.03926	1.8
67.05499	23.7
69.03432	1.3
69.07064	6.8
70.45452	1.4
70.45850	2.5
71.04987	2.3
79.05480	15.1
79.05896	1.2
81.03403	4.0
81.07051	22.5
81.84267	0.9
83.04972	2.1
83.08603	7.8
85.02873	0.8
85.06553	1.0
91.05476	15.1
93.07034	14.8
95.04955	5.8
95.08598	12.6
97.06531	2.6
97.10164	8.5
99.08089	1.1
103.05453	0.9
105.07020	15.8
105.07665	1.3
107.04948	2.2
107.08584	12.7
109.06519	1.9
109.10146	8.4
111.08050	1.6
115.05500	1.3
117.07014	11.2
119.08577	10.6
121.06531	3.3
121.10135	5.5
123.08066	1.8
123.11692	1.9
125.09605	5.2
128.06264	2.0
129.07001	8.1
131.08559	14.5
133.06494	1.8
133.10107	9.0
135.08073	2.1
135.11635	4.1
137.09625	1.4
141.07008	2.2
142.07820	1.0
143.08557	8.8
145.06505	1.9
145.10120	11.5
147.08046	1.4
147.11667	4.3
149.05966	1.0
149.09628	2.0
149.13245	1.6
151.11197	1.0
155.08537	5.3
156.09334	0.9
157.06499	0.8
157.10123	8.5
159.08092	2.2
159.11676	9.0
161.09627	1.6
161.13295	2.0
161.23737	0.8
163.11211	2.0
167.08618	2.8
168.09264	0.7
169.10164	4.5
171.08002	1.3
171.11659	7.9
173.09647	1.8
173.11931	1.0
173.13280	4.2
175.11217	1.2
175.14848	0.9
179.08470	0.9
181.10103	3.4
183.11665	5.9
185.09607	1.5
185.13248	4.7
187.11201	2.3
187.14905	2.4
189.11221	3.3
193.10184	1.6
193.12317	2.2
195.11829	2.1
197.13319	3.1
199.11278	1.3
199.14868	3.4
201.12923	1.2
201.16505	1.0
207.11732	2.3
209.13322	3.0
211.11148	0.8
211.14923	2.0
215.14333	1.0
221.13191	1.2
223.14850	1.8
225.16374	1.2
227.12697	4.2
229.14288	1.0
233.15324	1.0
237.16351	0.9
239.17870	1.0
241.15979	1.3
247.14824	1.1
257.19104	1.5
259.20645	3.1
267.16006	2.5
273.18549	0.9
275.20206	2.4
283.20654	1.6
285.21860	0.9
293.21109	0.7
297.22238	2.1
299.20267	1.4
299.23529	5.8
301.21683	1.1
313.21707	0.8
315.23331	0.9
321.22397	0.8
333.24542	1.4
339.23154	1.1
342.10406	0.8
389.27579	0.8
405.31461	1.1
415.29773	1.3
423.32443	0.9
433.30930	7.3
435.27609	1.1
445.29535	1.5
451.32089	9.3
469.33047	4.9
487.34018	1.3
507.34589	2.2
509.86548	0.8
515.37622	0.9
525.35760	21.2
543.36890	100.0
544.37244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01852	2.0
55.05505	12.4
57.03413	2.6
57.07053	1.3
58.08803	1.1
65.03961	1.6
67.05500	36.8
69.03417	1.8
69.07068	9.1
71.04983	3.4
71.63534	2.0
76.21902	1.1
79.05050	2.3
79.05491	36.3
79.40486	1.1
81.03414	2.3
81.07053	32.9
83.04960	3.4
83.08615	7.3
91.05479	21.8
93.07037	49.5
95.04950	12.4
95.08603	37.2
97.02886	3.1
97.06519	3.3
97.10162	2.5
99.04442	3.2
103.05432	1.9
105.07023	22.7
107.04945	7.8
107.08587	30.5
109.06516	4.2
109.10146	6.3
113.71529	1.3
117.07005	11.4
119.08581	14.8
121.06506	6.9
121.10137	20.2
123.11715	1.6
125.05962	2.7
129.06975	1.5
130.07768	1.9
131.08594	6.9
133.10135	7.5
135.08051	3.1
135.11682	39.9
145.10118	26.4
147.11693	3.3
149.13268	3.2
159.11673	3.2
161.13246	2.7
163.11182	50.2
171.11703	1.2
173.13268	2.7
175.14711	1.3
181.12245	12.4
209.11833	3.2
214.03358	1.2
227.12766	100.0
261.22214	6.0
266.95911	1.2
312.78616	1.2
317.24820	1.8
372.36578	1.3
416.15088	1.5
525.35828	3.0
534.84406	1.3
543.36798	80.5
544.37061	2.1
548.12427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
53.03933	0.5
53.49770	0.2
55.01851	1.0
55.05499	1.5
57.03414	0.8
58.06567	0.3
59.04995	0.3
61.02919	1.1
65.03949	0.3
67.05473	0.2
69.03423	3.7
70.06580	0.8
70.71962	0.6
70.72338	0.4
71.01341	0.3
71.04989	1.0
72.08150	7.0
73.02898	0.8
79.05419	0.2
80.01374	1.2
81.03421	1.3
81.07064	0.3
82.00523	0.2
82.02938	4.0
83.04995	0.3
84.08118	0.8
85.02896	7.5
86.06000	0.2
86.09705	0.3
87.04449	0.8
89.10788	0.3
91.03945	0.2
91.05462	1.2
95.04979	0.3
96.04436	0.3
97.02888	2.7
98.02412	3.1
98.06033	0.3
98.97588	0.5
99.04447	0.8
100.11233	0.3
101.02345	0.3
101.05981	0.3
107.04962	1.2
109.02880	1.2
110.02390	100.0
110.09662	0.2
111.02726	0.3
111.04427	0.4
112.44442	0.2
113.21261	0.2
119.04923	3.0
121.02824	0.6
127.03905	2.7
128.03450	0.4
138.05505	0.3
145.04924	0.4
145.06471	1.3
147.03391	0.2
147.04390	10.7
152.07050	46.8
157.06480	0.3
169.09706	25.2
177.05431	0.3
183.08012	0.3
188.07074	0.3
211.10738	0.3
213.09103	0.9
218.11740	0.5
219.08253	0.3
235.14429	0.3
237.02974	0.3
237.09068	0.6
239.10661	0.3
247.10870	0.3
259.10825	0.2
265.08636	0.6
360.09586	0.6
364.15488	1.3
381.18033	16.5
397.19919	0.3
423.18997	1.0
459.19232	0.7
461.12918	0.2
488.13385	0.3
489.20065	0.3
507.21384	0.3
543.23328	59.1
544.23706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.5
55.01828	0.5
55.05451	0.9
56.04986	0.5
57.03374	0.9
57.98816	0.3
61.02884	0.5
66.73923	0.2
67.05424	1.6
69.03418	2.6
69.07002	0.8
69.32377	0.6
69.32791	2.6
69.90351	0.2
70.06516	7.5
70.06940	0.5
71.04918	1.4
71.06857	0.3
72.08079	3.4
73.02863	0.4
74.06021	0.4
79.05441	0.7
81.03329	1.7
81.07043	1.7
82.06496	0.6
83.04919	0.8
83.08548	0.5
84.04501	1.4
84.08141	3.9
85.02903	4.0
85.03364	0.6
85.06496	0.7
86.06026	0.4
86.09695	1.4
87.04389	0.4
88.03899	0.4
89.10729	0.3
91.05489	2.1
93.07043	1.6
95.04897	1.2
95.08521	1.1
97.02891	2.5
97.06460	0.7
98.02279	0.2
98.09648	0.5
99.04390	0.8
102.05472	0.6
103.05389	0.4
105.06940	1.3
107.04932	1.4
107.08599	1.3
109.02807	1.2
109.06434	0.8
109.10068	1.0
110.02352	0.5
110.07123	0.4
111.04402	0.6
111.08006	0.4
112.07559	0.3
114.10212	0.4
115.08642	0.6
116.07059	0.5
119.04921	2.2
119.08475	0.9
120.08040	0.5
121.02865	2.5
121.06459	0.5
121.10060	1.0
123.04360	0.9
123.07993	0.7
123.11652	0.6
125.09554	0.5
127.03908	2.3
128.07001	0.6
129.05399	0.3
129.10133	1.3
130.08533	0.3
131.04855	1.0
131.05818	0.3
131.08453	0.4
133.06418	0.5
133.10039	1.2
134.08139	0.3
135.04378	0.4
135.07956	0.6
135.11615	0.4
136.07512	0.9
137.05907	0.7
137.09523	0.4
139.03857	0.3
143.08534	0.4
145.02814	0.4
145.04878	0.8
145.10046	0.8
147.04407	6.5
147.11546	0.9
148.04691	0.5
149.09505	0.5
149.13161	0.4
151.03867	0.5
151.07455	0.4
152.07039	0.5
153.05423	0.4
153.09068	0.4
155.08278	0.3
157.06352	0.3
159.11623	0.4
161.05917	0.5
161.09630	0.4
163.03847	0.6
163.07430	0.3
165.05344	0.3
167.07077	1.4
167.08223	0.3
167.93541	0.3
169.09695	0.3
171.07872	0.4
173.05920	0.3
173.13153	0.3
175.03833	0.5
175.07497	0.3
175.14679	0.5
177.05400	1.3
178.04910	0.6
181.04781	0.3
181.06323	0.4
185.05850	0.4
191.03352	0.4
193.04819	0.4
195.08006	0.6
197.05989	0.4
199.07387	0.6
206.04451	1.0
207.06467	0.4
213.05438	0.3
217.08347	0.4
217.15865	0.7
218.11650	0.7
219.02850	0.4
227.06931	0.6
263.07104	0.6
265.08722	0.7
281.08084	0.5
283.05893	0.6
293.08093	2.7
295.05942	0.4
296.06503	0.4
297.07611	0.7
302.09274	0.5
305.08160	0.7
307.05945	0.9
307.09665	0.9
309.07574	19.6
310.07819	0.6
317.11649	0.7
320.06711	0.4
321.07632	6.2
321.11206	1.1
323.08905	0.6
325.07089	0.4
327.09390	0.4
329.08038	0.4
333.07553	2.3
334.08179	2.3
335.09125	2.5
335.12814	0.4
339.08536	0.6
345.11194	10.6
346.11441	0.6
347.09137	1.8
348.09909	2.9
363.12259	45.1
364.12701	1.3
381.13327	100.0
382.13748	2.7
543.15210	1.7
543.24982	3.2
544.23376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.5
55.01818	0.6
55.05449	0.8
55.05685	0.3
56.82077	0.3
57.03380	0.7
61.02858	0.7
65.03873	0.3
67.05421	1.6
69.03345	2.8
69.06991	0.9
69.59138	2.2
70.06517	0.7
71.04945	0.5
73.02875	0.5
79.05400	0.8
81.03326	2.1
81.07050	2.3
83.02957	0.3
83.04917	0.6
83.08546	0.3
84.08031	0.3
85.02898	4.7
85.06456	1.0
87.04401	0.5
91.05461	1.4
93.07038	1.4
95.04877	0.7
95.08589	1.8
97.02885	3.0
97.06478	0.4
99.04356	0.9
99.08005	0.4
103.05408	0.3
105.06935	1.2
107.04874	0.4
107.08595	1.5
109.02789	1.1
109.06487	0.6
109.10057	1.0
117.06924	0.3
119.04861	0.4
119.08487	0.9
121.02870	0.3
121.06470	0.5
121.10125	1.4
121.85188	0.3
123.04331	0.6
123.07969	0.4
123.11611	0.9
125.05961	0.4
125.09566	0.5
127.03911	2.5
129.06967	0.3
131.08504	0.6
133.10022	1.2
134.03497	0.9
135.04393	0.3
135.07964	0.4
135.11603	0.6
137.05865	1.0
137.09499	0.5
139.03871	0.6
139.11066	0.3
143.08464	0.4
145.06325	0.3
145.10078	0.6
147.04308	0.9
147.07990	0.4
147.11646	0.5
149.02232	0.4
149.05858	0.3
149.13161	0.8
151.03772	0.6
151.07547	0.3
153.01706	0.3
153.05328	0.7
159.07957	0.3
159.11531	0.8
161.05836	0.6
163.07391	0.3
163.11011	0.4
163.26129	0.3
165.09090	0.3
167.06973	0.3
175.11058	0.4
183.11572	0.4
187.11055	0.3
189.05403	0.4
193.08511	0.4
195.07932	0.3
214.06172	0.5
215.07024	0.8
217.15842	0.3
222.05116	0.4
232.07228	0.6
233.07706	0.4
235.05978	2.2
239.06931	0.3
250.08273	1.1
253.05000	0.5
255.06313	0.3
261.09042	0.4
265.04892	0.3
267.06448	0.7
269.07919	0.5
277.08514	0.5
279.06421	0.6
281.04398	0.3
282.05292	2.7
282.12213	0.3
283.05911	0.8
289.08701	0.4
291.10086	0.6
295.06094	0.7
295.09747	0.9
296.06741	0.5
297.07559	4.0
298.04593	0.9
307.06128	0.4
307.09464	0.6
309.07565	1.1
309.11136	1.0
310.04755	3.2
310.11847	0.6
311.05331	0.6
311.08963	0.6
312.06223	5.6
313.07053	2.0
319.06070	0.4
319.09589	0.5
320.06635	0.4
321.07419	0.6
321.10971	0.5
323.08804	1.3
324.06174	2.6
325.07047	11.1
327.08566	13.3
331.09653	1.2
333.07498	0.3
334.08304	0.7
335.09058	3.9
336.06226	0.9
337.06976	1.8
337.10818	0.8
338.07794	1.0
339.08621	3.2
339.12317	0.5
347.09357	0.9
348.09927	3.0
349.10706	1.6
350.07843	0.6
350.11499	0.7
351.08575	8.8
351.12701	0.6
352.09308	0.6
353.10010	1.0
363.08414	0.8
363.12280	6.1
365.10153	1.4
366.10965	13.9
379.12003	0.4
381.13324	100.0
382.13657	2.1
390.68494	0.3
423.14142	1.4
445.29263	0.3
487.12616	0.4
489.28632	0.4
515.29077	0.3
543.18689	58.3
543.30725	6.0
544.18695	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	543.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84706	0.4
55.05500	0.7
55.18668	0.3
57.03428	0.5
61.02901	0.7
65.03931	0.5
67.05507	1.6
67.06908	0.3
67.75095	0.3
69.03427	2.8
69.07054	0.5
70.06580	0.7
71.04997	0.5
71.61691	0.6
72.08150	0.4
72.43256	0.3
73.02909	0.3
79.05485	0.5
81.03408	1.1
81.07068	2.0
81.62276	0.3
83.04977	0.9
85.02898	3.3
85.06523	0.5
91.05473	1.1
93.07030	1.0
95.04964	0.7
95.08594	1.0
97.02880	3.7
97.06523	0.6
99.04448	0.3
99.08046	0.4
103.55910	0.4
105.03376	0.7
105.07027	1.4
107.04926	1.9
107.08564	1.0
109.02870	1.2
109.06489	0.6
109.10152	1.4
111.04433	0.8
112.01860	0.3
115.03981	0.3
115.05479	0.3
117.07040	0.4
119.04915	1.3
119.08593	1.0
121.02853	2.2
121.06433	0.5
121.10122	0.8
123.04436	1.0
123.08060	0.7
125.05921	0.4
125.09662	0.5
125.12128	0.3
127.03918	2.7
129.06938	0.4
131.04887	1.1
131.08556	0.6
133.02870	0.4
133.06404	0.4
133.10094	1.0
135.04396	0.3
135.11725	0.6
137.02328	0.8
137.09572	0.4
140.09079	0.3
143.08522	1.2
145.02788	0.7
145.04941	1.0
145.06433	0.7
145.10110	0.5
147.04408	1.0
149.09567	0.4
153.01823	2.1
159.04344	0.4
159.11708	0.7
161.02200	0.3
161.05968	0.8
165.05463	0.5
167.07050	0.7
167.08411	0.3
171.04390	0.4
173.05920	0.9
185.05997	0.5
187.03853	0.3
189.05450	0.4
191.03401	0.5
195.08058	0.6
197.06075	0.5
199.07578	1.1
202.06174	0.4
203.03427	0.5
213.05527	0.6
225.05362	0.3
227.07088	0.9
229.05017	4.0
230.05582	0.3
245.04337	0.4
246.10416	0.7
247.06023	1.5
248.08255	0.4
249.09253	0.4
255.06496	1.2
261.09064	0.5
263.06848	0.3
265.08554	1.1
271.11172	0.4
274.10025	0.6
277.08521	0.6
281.08127	1.0
283.06091	0.9
284.08405	0.5
289.08606	0.6
289.12091	0.4
292.07275	0.4
293.04810	0.6
293.08029	4.7
296.06836	0.4
297.07523	0.7
302.09271	0.7
303.06516	0.4
303.09970	0.5
305.07993	1.2
306.08920	0.8
307.05933	1.4
307.09592	1.2
309.07559	24.8
310.07623	0.5
311.05374	1.7
317.08200	0.7
317.11752	1.0
319.09561	0.5
320.06909	0.5
321.07635	8.8
321.11224	1.2
322.08264	1.7
323.09027	1.2
325.06992	0.7
327.09213	0.5
329.08072	0.5
333.07544	3.0
334.08368	2.6
335.05368	1.8
335.09146	3.1
335.12781	0.9
339.08630	1.0
345.07083	0.7
345.11215	12.0
346.11554	0.4
347.09225	2.0
348.09943	3.1
349.06992	1.6
350.07825	13.4
351.08157	0.6
353.09976	0.5
363.08438	15.5
363.12259	52.3
364.08740	1.0
364.12683	1.6
366.07217	1.1
380.08804	1.3
381.09476	57.5
381.13321	100.0
382.09451	3.2
382.14166	3.1
412.11057	0.4
423.10306	0.4
471.27081	0.4
507.15723	0.4
543.14850	53.9
543.31744	1.6
544.15131	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	543.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.6
53.04119	0.1
55.01820	0.4
57.03382	1.8
61.02922	2.2
63.45150	0.1
65.03900	0.2
67.05455	0.6
69.03423	6.6
70.19493	0.5
70.19894	0.3
71.01307	0.4
71.04932	0.5
73.02910	1.3
79.05443	0.2
81.03412	2.2
81.07002	0.2
82.34550	0.1
82.40795	0.1
83.01305	0.2
85.02898	13.6
86.03194	0.1
87.04465	1.2
91.03905	0.4
91.05417	0.6
94.67384	0.1
97.02878	3.7
99.04432	1.1
101.02306	0.5
101.35846	0.1
103.03894	0.4
107.04901	0.6
109.02883	1.5
109.06455	0.2
115.03876	0.2
119.04913	0.7
121.02850	1.5
123.04334	0.2
123.34781	0.1
127.03913	2.6
129.06961	0.3
131.04839	0.5
135.04362	0.2
145.04930	0.8
145.06444	0.2
147.04340	0.3
155.08449	0.1
157.06468	0.2
159.04388	0.2
167.03311	0.2
167.08435	0.2
171.07959	0.5
175.03850	0.2
178.07620	0.1
181.06396	0.3
185.05925	0.3
186.77698	0.1
189.05383	0.2
191.03346	0.3
193.04877	0.2
195.07976	0.5
199.07430	0.2
203.03394	0.3
203.07074	0.2
209.04364	0.2
211.07471	0.2
213.05458	0.3
219.02792	0.1
221.09483	0.3
223.07491	0.3
227.06990	0.6
228.09286	0.2
231.08018	0.4
237.09084	0.2
245.08009	0.2
246.10367	0.6
247.07443	0.2
255.06332	0.2
256.08740	0.3
261.12775	0.2
265.08502	0.6
267.06396	0.3
271.11102	0.4
274.09793	0.5
277.08554	0.2
280.07343	0.2
281.08051	0.7
283.05966	0.5
284.08389	0.4
289.09174	0.2
289.12244	0.5
291.06360	0.2
292.07053	0.2
293.08026	3.3
295.05853	0.2
296.06689	0.3
297.07370	0.7
302.09354	0.4
303.10132	0.3
304.07452	0.2
305.08005	0.7
306.08783	0.5
307.05960	0.5
307.09689	0.5
307.12997	0.2
309.07535	18.8
310.07834	0.4
316.10641	0.2
317.11594	0.7
319.09683	0.6
320.06802	0.3
320.10355	0.2
321.07648	5.5
321.11218	1.0
322.07910	0.3
323.09000	0.9
327.09885	0.3
329.08051	0.4
330.08813	0.2
331.09610	0.3
333.07504	2.1
334.08286	2.3
334.11960	0.2
335.09091	2.5
335.12836	0.9
339.08551	0.6
345.11188	11.2
346.11646	0.3
347.09055	1.7
348.09930	2.8
349.10287	0.2
351.08563	1.0
362.11478	0.3
363.12234	46.4
364.12692	1.2
365.10089	0.3
366.10480	0.2
369.11356	0.3
380.33676	0.1
381.13287	100.0
382.13651	4.3
387.12384	0.8
391.11853	0.2
405.13306	3.3
409.12732	0.2
417.13287	0.2
423.14374	3.5
424.15073	0.2
429.13281	0.2
430.32028	0.2
435.14624	0.4
447.14520	0.4
502.32718	0.1
507.15765	0.2
525.17365	0.4
543.18597	26.4
544.18890	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81025	0.2
53.03918	0.3
55.01850	0.3
56.64011	0.2
57.03387	0.7
59.98992	0.2
61.02921	1.2
62.98962	0.2
65.81425	0.2
65.81763	0.2
67.05469	0.6
69.03416	2.3
70.79664	0.8
71.01311	0.3
73.02875	0.5
75.83755	0.2
76.70532	0.2
81.03370	1.0
81.07032	0.3
85.02903	3.8
87.04434	0.7
97.02914	1.2
99.64072	0.2
105.07033	0.3
106.69952	0.3
109.02846	0.5
110.46982	0.2
112.85842	0.2
127.03865	0.6
134.03552	0.7
137.05923	0.3
147.04372	0.2
161.02274	0.3
214.06287	0.4
215.06998	0.8
217.04921	0.6
221.04428	0.8
224.27536	0.2
232.07161	0.4
233.07848	0.3
235.05991	3.0
239.07063	0.4
250.08423	1.1
251.07149	0.4
267.06509	0.8
267.10040	0.5
275.10773	0.3
277.08536	0.8
279.10123	0.4
281.08127	0.4
282.05231	2.3
283.06027	0.3
283.09500	0.4
288.07779	0.3
291.10098	1.0
292.10898	0.5
293.04529	0.4
295.06375	0.4
295.09695	1.1
296.06812	0.6
297.07562	4.4
298.04703	1.2
305.08044	0.5
309.07651	0.6
309.11249	1.1
310.11914	0.5
311.05502	1.0
311.08905	0.6
312.06281	5.7
313.07083	1.8
314.08041	0.5
315.08582	0.5
316.07306	0.3
320.10376	0.5
321.07706	0.3
321.11176	0.8
323.08975	1.2
324.06207	1.7
325.07101	2.9
326.07690	0.4
327.08618	13.8
331.09650	0.8
333.07681	0.5
334.08405	0.7
335.08987	1.4
336.06155	0.6
337.06995	1.7
337.10782	0.6
338.07834	0.8
338.89703	0.3
339.08563	3.1
339.12241	0.4
341.10489	0.3
347.09137	1.1
348.09879	3.4
349.10696	1.6
350.11447	0.7
351.08612	9.1
351.12030	0.4
352.09348	0.4
353.10114	1.0
363.08121	0.4
363.12268	5.3
365.10327	1.8
366.10965	14.7
367.11441	0.3
381.13315	100.0
382.13669	2.5
423.14386	1.5
431.97699	0.3
487.12265	1.0
543.18622	61.1
544.19110	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	543.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.01823	0.5
57.03387	1.3
61.02931	1.7
61.46670	0.2
64.61212	0.2
65.03887	0.3
67.05463	0.5
69.03426	5.3
69.76559	1.5
71.01335	0.3
71.04955	0.4
71.35845	0.2
73.02919	1.2
73.03222	0.2
79.05444	0.4
81.03423	1.4
81.07000	0.3
85.02901	8.2
87.04414	0.7
91.03917	0.2
91.05465	0.4
95.04886	0.3
97.02885	2.5
98.21485	0.3
99.04408	0.7
101.02351	0.3
102.09025	0.2
103.01311	0.2
103.03914	0.4
105.07001	0.3
107.04955	1.7
109.02874	1.4
115.03854	0.2
119.04916	0.5
119.43367	0.2
121.02831	2.2
123.04365	0.5
127.03925	1.4
131.04904	0.4
133.02815	0.6
135.04413	2.4
137.02339	0.2
143.08466	0.2
145.04892	0.5
145.06438	0.4
145.10097	0.5
147.04372	0.6
159.04346	0.6
159.07973	0.6
163.03810	0.5
165.06812	0.3
171.04358	0.5
171.07985	0.7
172.30296	0.2
175.07483	0.2
183.07959	0.6
185.05998	0.3
189.05449	0.3
191.03386	0.3
195.07962	0.3
199.07463	0.4
201.09114	1.1
203.03329	0.5
203.07056	1.2
209.06032	0.3
211.07414	0.4
213.09026	0.5
217.04883	0.4
217.08527	0.2
223.07520	0.3
224.67981	0.2
227.07010	4.0
231.07852	0.4
241.08472	0.3
245.07947	0.6
246.10341	0.4
249.09056	0.5
252.07860	0.3
253.08562	0.5
254.05563	0.3
255.06493	1.1
263.06924	0.3
264.07944	0.2
265.08551	0.8
267.06546	0.5
267.10144	0.6
271.11313	0.3
273.08981	0.4
274.09793	0.6
277.08606	0.4
279.13895	0.2
281.08127	0.7
283.06122	1.2
289.12082	0.5
291.06693	0.2
292.07407	0.4
293.08063	3.4
295.06189	0.5
295.09540	0.8
297.07654	1.6
299.10376	0.3
302.09308	0.6
305.08054	1.0
306.08859	0.6
307.06033	0.4
307.09518	0.8
307.13141	0.6
309.07547	9.2
316.10837	0.5
317.11713	1.5
319.06018	0.6
319.09683	0.7
320.06763	0.7
320.10422	0.5
321.07568	5.2
321.11060	0.7
323.09241	0.4
325.07214	0.3
329.07932	0.4
331.09610	0.7
331.74158	0.3
333.07513	2.5
334.08368	1.6
334.11887	0.4
335.09753	1.8
335.12216	1.8
345.11203	7.5
346.07938	0.2
347.09146	3.4
348.09924	3.1
351.08685	0.4
362.11548	0.3
363.12241	100.0
364.12701	2.0
381.13321	28.5
382.13614	0.7
387.12415	1.2
405.13354	4.7
415.16577	0.2
423.14307	0.9
429.13391	0.4
447.14035	0.3
525.17542	12.5
543.18610	89.5
544.19073	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	543.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72268	0.6
67.64647	0.7
69.93796	1.7
69.94201	2.2
79.89691	0.7
143.01816	0.9
161.02942	1.1
173.03027	0.8
240.05692	0.8
245.05019	1.8
251.86339	0.7
271.48254	0.7
292.05472	0.9
363.06839	1.7
381.07904	13.5
422.02014	0.8
543.13196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1499
Annotation	Cleistanthin B
Peak:m/z	Relative Intensity
55.01822	0.4
55.05477	0.5
61.41772	0.2
61.95222	0.3
67.05444	0.7
69.03381	0.6
69.07009	0.5
70.06581	1.3
72.08097	0.5
79.05454	0.4
81.03368	0.6
81.06964	0.9
83.04927	0.4
84.08076	0.5
85.02834	0.8
85.06445	0.3
86.09637	0.2
91.05423	0.4
93.07014	0.5
95.04887	0.6
95.08530	1.0
97.02807	0.9
97.06474	0.4
105.06982	0.6
107.04884	0.6
107.08511	0.8
109.06435	0.3
109.10077	0.8
109.41941	0.2
119.04878	0.5
119.08508	0.4
121.02825	0.4
121.06507	0.3
121.10064	0.7
123.04356	0.5
127.03838	0.6
131.04889	0.3
133.06326	0.3
135.04333	0.5
135.07990	0.3
135.11577	0.4
137.02242	0.8
139.07454	0.3
139.08624	0.2
142.07674	0.2
145.06392	0.6
145.10095	0.3
147.04318	1.0
147.11623	0.4
149.09570	0.3
151.07420	0.3
153.01752	0.3
161.05905	0.4
165.05464	0.6
167.06946	0.6
173.05989	1.3
175.03842	0.3
181.30109	0.2
199.07437	0.4
203.03477	0.3
225.11235	0.2
229.04912	4.8
231.06456	0.4
233.09541	0.4
245.04312	0.5
247.05914	1.8
251.06906	0.3
261.08908	0.3
265.08398	0.4
277.08533	0.5
289.08563	0.3
293.08047	1.4
305.08078	0.8
306.08600	0.6
307.05899	2.0
307.09479	0.7
309.07541	2.4
317.07941	0.7
321.07611	2.7
321.11099	0.5
322.08264	1.8
325.06863	1.0
333.07492	0.9
334.08292	0.3
335.05402	2.7
335.09088	0.9
337.06985	0.3
339.08548	0.6
345.07413	0.4
345.11206	0.9
349.06967	2.4
350.07816	17.5
351.08267	0.4
353.10095	0.4
362.29907	0.3
363.08536	26.0
363.12347	2.8
380.08945	1.9
381.09586	100.0
382.10306	1.4
447.22189	0.3
471.27237	0.5
482.84241	0.3
503.43088	0.3
543.14917	80.0
543.31567	2.1
544.15143	1.0
548.79236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16325	2.9
53.03925	8.7
55.05514	26.4
55.84112	3.0
57.03409	3.8
57.07062	6.4
59.86858	2.9
65.03941	5.5
67.05169	5.4
67.05504	80.5
69.03435	3.2
69.07074	21.4
70.06559	6.6
70.55031	3.0
71.04980	4.7
71.08621	3.5
71.62380	5.5
73.06570	2.9
77.98243	2.8
79.05058	6.3
79.05489	88.8
81.03378	5.3
81.07056	68.1
83.04967	11.0
83.08598	7.4
88.07604	6.9
91.05476	74.0
93.07041	80.7
95.04967	18.9
95.08604	45.6
97.06521	7.7
97.10159	5.0
102.09165	7.7
105.07024	56.7
107.04935	6.2
107.08601	28.7
107.52010	3.0
109.06507	8.1
109.10138	13.8
111.07984	2.9
114.78617	3.0
117.07009	14.7
119.08582	27.8
121.10133	17.3
123.08031	5.1
129.06992	14.4
131.08566	12.1
133.10126	12.8
135.11667	9.9
143.08574	5.4
145.10117	10.5
147.11690	31.0
149.13248	3.9
155.08629	3.5
159.11699	7.0
161.09613	3.5
161.13264	12.7
169.10112	3.2
171.11723	19.8
171.25150	3.5
174.28697	3.0
189.12723	11.0
207.13770	20.1
256.26297	9.1
257.26553	4.8
271.22577	3.8
281.17273	3.8
284.29416	5.4
311.29395	11.1
531.54321	4.1
540.53204	12.3
541.38916	100.0
541.53125	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	541.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01859	3.5
55.05506	16.8
57.03421	3.7
65.03932	1.1
67.05173	1.3
67.05505	19.9
69.03414	1.6
69.07084	6.4
69.64246	3.9
69.64673	4.2
71.04978	1.0
79.05491	16.4
81.03417	4.1
81.07050	20.0
83.04963	2.3
83.08611	8.2
85.06558	1.6
86.09708	2.7
91.05477	13.3
93.07029	11.4
95.04959	6.1
95.08609	9.0
97.06549	1.6
97.10175	10.4
98.20799	2.2
105.07029	11.5
107.04952	2.1
107.08585	7.3
109.06492	1.4
109.10160	6.2
111.08036	1.3
117.07018	9.7
118.05023	1.0
119.08580	9.3
121.10131	3.7
123.08047	2.3
123.11728	1.1
125.09634	7.5
128.06233	3.3
129.06989	10.6
131.08554	10.9
133.10118	7.7
135.08057	2.4
135.11700	2.0
141.06990	2.8
142.07774	2.3
143.08554	7.9
145.06470	1.7
145.10118	8.4
146.98151	2.2
147.08084	1.8
147.11664	2.4
149.05957	1.0
149.09596	1.3
153.07013	2.4
153.09137	1.9
155.08537	7.1
156.09288	1.3
157.06537	2.3
157.10115	7.7
159.08078	2.8
159.11658	5.1
167.08577	3.4
168.09422	1.1
169.10020	6.9
171.08110	2.3
171.11664	7.9
173.09630	1.3
173.13289	2.5
175.11209	1.9
179.08568	1.5
180.09407	1.1
181.10136	4.4
183.11711	7.1
185.09583	2.2
185.13235	5.4
187.14818	1.1
189.11240	3.8
193.10287	1.3
193.12224	1.2
195.11714	4.1
197.13300	3.5
199.11253	1.3
199.14853	2.8
207.11684	1.7
209.13284	3.0
211.14821	3.2
213.12700	1.4
213.16365	1.5
219.11711	1.3
221.13350	2.2
223.14789	2.6
225.12810	1.5
227.12634	5.6
235.14786	1.4
239.18001	1.4
245.13275	1.2
249.16504	1.1
257.19043	2.4
269.15240	1.1
275.20206	1.9
279.21072	1.2
281.18991	1.7
285.22168	1.5
295.20355	1.3
297.22125	7.4
299.20169	1.4
313.21719	1.4
315.23434	1.1
323.20010	1.6
325.21613	1.4
335.23859	1.3
337.21460	1.5
413.28619	1.7
421.31137	1.7
431.29297	6.4
449.30521	10.3
459.56656	1.1
467.31638	4.8
483.25009	2.5
485.32645	2.9
495.34628	1.0
513.36523	1.2
523.34271	12.5
541.35248	100.0
542.35034	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	541.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84898	0.1
55.01854	0.3
55.05502	0.4
57.03423	0.3
63.62404	0.2
65.03917	0.2
67.05487	0.5
69.03424	0.9
69.07064	0.3
70.06591	0.2
71.04964	0.2
71.62414	0.2
79.05477	0.5
81.03417	0.8
81.07051	1.0
83.04949	0.2
84.20699	0.2
85.02907	1.3
91.05447	0.5
93.03391	0.6
93.07021	0.7
95.04981	0.4
95.08582	0.7
97.02869	0.7
97.06516	0.2
99.04417	0.5
105.03369	0.3
105.07008	0.6
107.04943	0.6
107.08561	0.5
109.02854	0.4
109.10116	0.5
111.08059	0.2
117.03373	0.5
117.06997	0.2
119.08578	0.8
121.02814	0.4
121.06530	0.3
121.10087	0.2
123.04391	0.3
123.08038	0.2
123.11694	0.2
127.03931	0.8
131.08528	0.4
133.02890	0.2
133.10101	0.3
135.04384	0.6
135.08061	0.2
135.11713	0.4
137.02307	0.7
145.02901	0.2
145.04889	0.2
145.10104	0.3
147.04411	0.3
147.11653	0.3
149.09618	0.2
151.03891	0.3
153.05473	0.2
157.10027	0.2
159.11615	0.3
161.01131	0.2
161.02361	1.9
163.11110	0.2
164.89059	0.2
165.06982	0.3
171.11794	0.2
175.04007	0.2
177.01807	0.5
179.03380	0.5
183.07932	0.3
189.01814	5.8
193.06516	0.3
195.02933	0.8
201.05846	0.2
207.02863	8.0
211.07481	0.5
221.05968	0.8
237.02765	0.2
239.06912	0.8
249.05545	1.0
251.06938	0.3
267.06467	1.4
277.04938	0.6
279.03824	0.2
295.06009	1.1
305.04449	0.6
310.04648	0.2
311.05725	0.2
322.04568	0.4
323.05472	100.0
324.05835	1.0
325.07062	0.2
361.10727	0.4
365.06549	0.4
379.11731	3.2
441.09286	0.2
481.08627	0.6
485.10764	47.9
486.11047	0.6
523.28839	0.3
541.16925	12.8
541.34619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.01850	0.3
55.05493	0.5
56.96548	0.3
57.03399	0.4
57.07054	0.2
59.91287	0.2
61.02911	0.3
67.05470	0.8
69.03423	1.4
69.07040	0.5
70.06581	0.3
71.04982	0.3
72.08121	0.4
75.79053	0.2
78.04690	0.4
79.05457	0.5
79.55917	0.2
80.60093	0.2
81.03383	0.9
81.07037	1.4
83.04949	0.5
83.08589	0.3
85.02892	1.9
85.90971	0.2
87.04436	0.2
91.05471	1.3
91.25146	0.2
93.07021	1.0
95.04946	0.5
95.08608	1.5
97.02901	1.1
97.06486	0.5
99.04432	0.4
103.05448	1.4
105.03384	0.4
105.07001	0.8
106.04156	0.5
107.04903	0.4
107.08582	1.0
109.02857	0.9
109.06517	0.5
109.10116	0.8
111.04414	0.2
111.08025	0.2
112.34252	0.2
112.34991	0.2
115.05455	0.6
117.06985	0.6
119.04950	0.4
119.08550	0.6
121.06464	0.4
121.10124	0.6
122.03663	0.4
123.04420	1.0
123.08019	0.3
123.11665	0.5
125.09628	0.2
127.03886	1.4
128.06195	0.6
129.06992	1.9
130.07770	0.3
131.04915	2.2
131.08534	1.5
133.02840	1.3
133.10106	0.5
134.03609	1.5
135.04391	0.4
135.08012	0.4
135.11635	0.5
137.02216	0.2
137.05971	1.2
137.09621	0.2
143.08545	0.3
144.05649	0.2
145.02783	0.3
145.04988	0.2
145.06439	0.5
145.10120	0.5
147.04396	1.2
147.08006	0.3
147.11687	0.3
149.05963	0.3
149.13185	0.2
150.03079	0.7
151.03876	1.8
151.07593	0.2
152.04741	1.0
157.06473	1.6
158.07224	0.6
159.04404	9.5
159.08006	1.7
159.11700	0.4
161.09543	0.3
163.03899	0.5
163.11246	0.2
165.05472	2.3
165.09114	0.2
167.07059	1.0
169.06459	0.4
171.04410	0.7
171.08092	0.5
173.05870	0.2
173.13194	0.2
177.00674	0.3
177.05449	0.3
185.05946	1.7
186.06689	1.0
187.07535	7.2
187.11151	0.2
189.01816	0.3
189.05463	3.1
189.09250	0.3
191.17857	0.2
199.07527	0.6
201.05458	0.4
201.16602	0.2
202.07802	0.2
203.06998	0.7
213.05453	31.3
214.06021	0.6
215.03363	0.4
215.06999	0.7
217.05023	0.3
219.01727	0.3
227.06979	0.3
231.06523	2.0
232.07268	0.2
234.10461	0.2
237.02827	0.3
245.09673	0.6
247.07512	0.3
248.23795	0.2
253.04951	0.3
261.09079	0.5
262.09912	0.4
263.10660	0.3
265.08517	0.4
273.09222	0.5
275.06943	0.3
277.08624	0.3
279.03900	0.5
279.06763	0.3
279.10193	0.4
289.08530	2.3
290.09247	1.6
291.10049	0.3
293.08154	0.7
298.04910	0.2
301.08508	0.3
305.08041	0.2
307.06320	0.3
307.09607	1.6
308.06885	0.2
308.10263	0.3
310.04715	3.2
313.07080	0.3
317.07971	0.6
318.08908	2.7
319.09656	0.8
321.07553	1.9
322.04617	0.8
322.08273	0.5
323.05533	1.0
325.07031	3.8
333.11115	1.1
335.09247	1.0
336.06161	0.6
336.09909	2.0
337.06943	1.0
337.10718	1.2
345.07489	0.5
346.08328	16.4
347.09036	1.2
348.06323	0.3
349.07053	1.9
351.08524	0.5
361.10690	17.7
363.08600	2.3
364.09381	18.7
365.09805	0.4
379.11731	100.0
380.12024	1.3
421.12933	0.5
481.08490	0.9
541.17004	94.7
542.17499	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	541.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01859	0.3
61.02911	0.4
62.40736	0.2
67.05496	0.9
69.03409	1.1
69.07059	0.6
69.66149	0.5
69.66554	1.7
70.06590	1.3
71.04992	0.4
72.08158	2.2
74.93459	0.3
79.05479	0.7
81.03429	1.0
81.07059	1.7
84.08131	0.8
85.02889	2.6
85.06529	1.0
86.09702	0.4
87.04463	0.3
93.07041	1.0
95.08583	1.1
97.02888	58.6
97.06491	0.4
98.20710	0.3
99.04424	0.3
99.08104	0.3
105.07011	0.9
107.08585	0.8
109.02871	1.2
109.10140	1.3
110.02389	0.5
110.06063	0.6
112.07601	0.5
119.04893	0.4
119.08572	0.5
121.02865	8.1
121.10146	0.4
123.11696	0.8
124.03946	0.9
125.04286	0.3
127.03912	100.0
128.04271	0.7
133.06485	0.3
133.10120	0.4
135.11751	0.5
136.07628	0.4
139.11153	0.4
140.07053	7.3
141.07426	2.1
144.70496	0.3
145.04965	0.7
145.10146	0.3
147.04422	2.1
147.11685	0.4
149.13252	0.5
151.03885	1.1
152.07126	0.7
160.79163	0.3
161.05951	0.7
162.06421	0.3
167.07062	0.3
177.05528	0.6
182.03575	0.3
187.07892	0.3
215.07019	0.3
217.04985	4.7
235.06039	1.1
235.14436	0.5
236.12877	0.3
253.06949	1.3
268.08011	0.4
269.08630	0.5
289.09183	3.3
289.25305	0.5
295.26291	0.4
307.26294	1.2
312.10666	0.5
313.11023	1.0
325.27347	0.4
331.12076	0.4
343.28519	0.7
408.86963	0.3
541.22260	0.9
541.30780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.3
55.01834	0.4
55.05491	0.6
56.96531	0.8
57.03408	0.6
61.02877	1.0
67.05449	1.2
69.03419	3.7
69.07030	0.7
70.78619	0.4
70.78949	0.6
71.04946	0.5
72.08095	0.4
73.02869	0.8
79.05434	1.0
81.03413	1.9
81.07046	2.3
83.04955	0.4
85.02902	6.7
85.06491	0.4
87.04399	0.5
89.03886	0.4
91.05418	1.2
93.06979	1.3
95.04914	0.6
95.08604	1.9
97.02880	2.1
98.97536	1.0
99.04388	0.9
105.03339	0.4
105.06963	1.2
106.07356	0.3
107.04885	0.9
107.08559	1.7
109.02866	1.4
109.06474	0.7
109.10077	1.0
116.98547	0.8
117.03326	0.7
117.06966	0.6
119.04914	0.4
119.08524	1.0
121.06458	0.7
121.10143	0.7
123.04358	0.7
123.08052	0.5
123.11622	0.6
127.03895	3.0
128.98547	0.4
129.06946	0.7
131.08539	0.6
133.10080	0.5
134.03622	3.7
134.99600	0.4
135.04335	0.5
135.07971	0.7
135.11621	0.8
137.05934	0.8
137.09514	0.4
137.13240	0.4
143.00093	0.7
145.04826	0.4
147.04362	0.6
147.07962	0.8
147.11678	0.5
149.01126	0.3
149.05904	0.4
149.13136	0.5
151.03856	0.3
151.07533	0.4
157.06453	0.4
157.10033	0.4
159.07996	0.4
159.11623	0.5
161.01123	1.3
161.02345	0.7
161.13197	0.3
163.03909	0.7
167.07037	0.8
169.06525	0.3
170.99605	0.4
171.04344	0.4
175.07431	0.9
175.14732	0.5
177.00630	0.7
185.01199	0.4
185.05940	0.5
187.05917	0.4
189.00366	0.4
189.02083	1.4
189.05467	1.9
197.06041	0.4
201.05397	0.3
202.07819	0.6
203.02222	0.4
207.02867	2.1
212.04619	0.5
213.05447	1.2
217.10211	0.5
219.01601	0.7
219.08099	0.6
230.05499	0.4
231.06432	0.5
234.10448	0.4
237.02774	1.2
243.06400	0.6
245.09598	2.0
247.07440	1.0
255.06424	0.4
261.02985	0.4
261.09070	1.1
262.09888	0.7
265.08548	0.4
273.09103	1.5
275.06931	0.9
279.03845	1.7
279.06436	0.4
289.08490	1.7
290.09360	2.2
291.10385	0.4
292.07416	0.6
293.08011	0.6
295.06085	0.7
301.08533	2.7
302.05414	0.4
303.06503	0.6
305.11597	0.6
307.06308	0.4
307.09586	1.1
310.04611	3.7
311.05472	0.8
317.08035	0.9
318.08878	4.0
321.07629	1.0
322.04639	0.7
322.08398	0.9
323.05502	1.2
325.06998	5.2
329.08041	2.6
333.07239	0.4
333.11188	7.7
335.09042	0.8
336.09842	0.7
337.06967	1.2
337.10754	1.2
345.07532	1.5
346.08301	10.3
347.09167	0.6
349.07126	0.8
351.08456	0.6
351.12354	0.6
359.29752	0.3
361.10663	29.2
362.11578	0.6
363.08612	1.7
364.04810	0.6
364.09372	11.9
379.11725	100.0
380.12238	1.1
421.12482	0.8
425.09631	0.9
481.08640	4.4
485.10922	0.4
522.41534	0.4
523.15826	0.5
541.17023	59.0
542.17639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20041	0.6
53.03930	1.4
57.07060	1.3
59.04981	0.6
61.78921	0.5
69.70712	1.2
69.71119	2.8
76.78026	0.6
79.05496	4.4
87.04457	2.5
89.06026	20.8
91.05471	3.2
93.07040	3.9
95.04960	2.6
100.26127	0.6
102.86858	0.6
103.05471	4.6
105.07024	100.0
107.04919	0.6
107.07066	1.4
117.07050	0.6
119.04946	0.9
119.08566	2.1
121.06498	18.8
129.07010	1.7
130.08644	0.7
131.07027	1.2
131.08580	1.6
133.08594	16.0
145.35199	0.6
147.08025	9.9
149.09592	2.0
165.09120	5.3
173.09604	0.8
177.11221	4.6
209.11726	2.2
209.13457	0.7
221.13768	1.0
225.12729	4.1
227.12798	2.0
241.73715	0.5
249.12804	0.9
256.26419	0.6
269.15381	1.5
271.15457	0.9
311.29291	0.7
313.17972	1.0
315.17996	31.6
330.50858	0.7
373.21527	1.7
419.24268	19.7
523.30554	3.9
529.16211	0.6
540.53632	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	540.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
51.72809	0.3
52.40201	0.4
53.03947	1.0
55.01852	0.4
56.44919	0.4
57.07067	1.4
67.05495	0.9
69.03413	0.6
69.34499	2.2
69.34932	2.4
71.08594	0.6
73.02897	0.7
75.61202	0.4
79.05486	3.7
81.03394	0.6
81.07039	1.1
83.08612	0.6
85.10210	0.5
87.04464	2.4
89.06024	20.4
90.09876	0.4
91.05461	3.2
93.07028	3.0
95.04967	2.8
95.08604	0.9
103.05457	4.9
105.07020	100.0
106.07359	0.4
107.07057	1.1
107.08594	0.4
119.04948	0.9
119.08569	1.3
121.06492	19.1
121.07362	0.9
129.06976	1.2
130.08627	1.2
131.07034	1.2
131.08562	1.1
133.08589	15.1
147.08032	7.4
149.09590	1.3
159.81628	0.4
163.87822	0.4
165.09099	5.2
175.09641	0.5
177.11235	4.5
184.04526	0.4
209.11649	2.6
221.13744	0.7
223.11185	1.0
225.12720	3.1
227.12854	1.5
251.14301	1.0
259.76898	0.5
269.15350	1.5
271.15436	0.9
283.26227	0.5
311.29385	0.6
313.17798	0.7
314.27689	0.6
314.90598	0.5
315.18002	28.7
373.21353	0.8
375.21454	0.5
419.24258	17.0
523.30420	2.6
540.32635	4.5
540.39948	0.6
540.53516	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	540.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01853	0.6
55.05502	0.7
59.24956	0.2
60.24804	0.2
61.02907	0.2
65.03921	0.6
66.45165	0.2
67.05515	0.3
68.99795	0.3
69.03430	1.7
70.06604	0.3
70.99076	0.3
71.04992	0.3
72.53662	0.2
78.80382	0.2
81.03403	1.5
81.07055	0.7
84.08137	0.6
85.02898	2.8
85.06523	0.2
86.09709	2.0
87.00832	1.0
91.05480	10.0
93.07037	0.4
94.73917	0.2
95.04948	0.5
95.08622	0.3
97.02910	1.4
99.04458	0.6
103.05422	0.3
105.01815	0.3
105.03407	0.3
105.07012	0.4
105.20739	0.3
105.24228	0.2
109.02876	1.4
109.06479	0.3
112.07581	1.0
117.03405	0.2
118.04141	0.4
119.04940	22.0
123.04412	0.2
124.07596	1.0
127.03924	3.2
129.01802	0.3
129.03352	0.3
131.04927	0.5
132.02084	0.5
133.02803	0.3
137.05949	0.4
145.02829	1.0
145.05006	0.4
146.03615	0.7
147.04405	22.4
148.04787	0.2
149.02319	0.4
149.09671	0.3
152.07082	1.5
157.03966	1.5
159.02888	0.5
161.05905	0.3
164.04697	0.3
167.07074	0.6
170.08105	0.4
174.03185	0.6
175.03903	46.0
176.04292	0.8
177.05463	1.0
179.07014	1.4
191.06923	0.3
192.04198	2.3
193.59308	0.2
207.06522	100.0
208.06825	1.5
224.69904	0.2
237.02888	0.3
262.14355	0.6
272.23920	0.2
292.15421	64.4
293.15692	1.3
379.12201	0.2
392.35327	0.2
481.08939	0.5
540.44153	0.3
541.16614	1.9
553.73267	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	540.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01867	0.5
55.05504	0.9
57.03420	0.2
58.06589	0.2
60.66629	0.2
65.03934	0.5
69.03422	1.6
70.06576	0.2
70.95721	0.5
71.04992	0.4
76.70271	0.1
77.03914	0.4
77.63719	0.2
79.05469	0.2
81.03408	1.7
81.07040	0.3
84.08133	1.2
85.02895	2.8
85.21248	0.2
86.09695	1.8
87.00803	0.7
89.03893	0.3
91.05470	10.8
93.07011	0.2
95.04922	0.2
95.08573	0.3
97.02852	0.9
99.04445	0.3
99.26829	0.2
103.05438	0.5
105.01849	0.8
105.03362	0.4
105.07015	0.2
107.04884	0.2
109.02882	1.3
112.07587	1.7
119.04927	24.7
121.02859	0.2
121.10123	0.2
123.04417	0.5
124.03946	0.3
127.03915	2.6
129.03375	0.5
131.04941	0.2
132.02063	0.3
133.02859	0.5
144.55971	0.2
145.02831	0.4
145.04932	0.5
146.03627	0.3
147.04387	24.9
148.04738	0.2
149.02338	0.3
149.05986	0.3
157.03926	2.0
159.02863	0.6
161.05861	0.2
164.04678	0.6
167.07036	0.4
175.03880	54.0
176.04298	0.6
176.19623	0.2
177.05484	0.2
179.06989	1.4
191.07004	0.3
192.04158	1.8
207.06499	100.0
208.06844	0.9
231.05043	0.5
249.07533	0.2
251.44545	0.2
268.08200	0.3
273.07315	0.3
273.57315	0.2
292.15381	88.7
293.15665	1.2
305.53162	0.2
334.16394	0.3
454.21088	0.2
540.20679	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	540.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.1
53.03950	0.2
54.14209	0.1
54.94764	0.1
55.01862	0.4
55.05505	0.2
57.03439	0.1
58.02961	0.3
58.06593	0.4
68.05032	0.1
68.27682	0.1
69.03432	0.9
69.07053	0.3
70.06590	0.3
70.56857	0.3
70.57236	0.3
71.04987	0.3
72.08134	0.3
79.05487	0.2
81.03402	0.7
81.07030	0.3
81.92651	0.1
84.08146	0.4
85.02905	1.3
85.06551	0.1
85.63350	0.1
86.09705	0.2
87.00829	0.3
91.05463	0.2
93.07046	0.2
95.04950	0.2
95.08588	0.4
97.02889	0.7
98.20878	0.1
99.04433	0.4
105.01878	0.2
105.07030	0.2
107.04959	0.2
107.08588	0.2
109.02900	0.5
109.10158	0.5
110.06008	0.2
112.07595	100.0
113.07935	0.7
115.07671	0.1
119.04952	0.2
119.08570	0.2
123.11615	0.2
124.66681	0.1
125.09625	0.1
127.03919	0.9
128.07053	0.4
131.08499	0.1
133.10088	0.2
135.11713	0.1
137.05971	0.5
137.09633	0.2
145.04918	0.2
147.04453	0.6
159.02879	0.2
161.05966	0.1
163.14793	0.1
167.07059	0.3
175.14821	0.3
177.20512	0.1
181.08603	0.3
193.15892	0.4
211.16943	0.4
233.11765	0.3
259.07855	0.2
260.12646	0.2
292.15396	19.5
293.15659	0.3
339.13422	0.2
346.43753	0.1
363.27704	0.1
539.77454	0.1
540.20923	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	540.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59383	0.6
53.03930	2.3
55.01859	2.5
55.05490	1.5
56.25032	0.5
57.07070	0.6
58.64836	0.5
61.02918	0.8
65.03938	3.4
67.05484	2.2
69.03410	2.0
69.07051	2.2
69.48872	4.1
69.49294	1.0
70.06590	4.6
71.04980	1.1
72.08155	5.5
74.06078	0.7
75.04486	3.3
78.04690	2.4
79.05481	2.4
81.03405	1.0
81.07056	5.0
82.07355	0.5
83.04971	0.9
84.08128	1.8
85.02901	5.0
85.06532	5.1
86.06877	0.8
86.09679	1.2
87.09228	13.6
88.09563	0.5
89.03905	1.5
91.05476	13.5
93.03397	10.8
93.07039	8.3
95.04968	6.7
95.08611	3.3
97.02869	1.7
97.06530	3.7
98.20675	0.7
98.97569	0.6
99.08132	0.7
100.11237	0.6
103.05451	5.7
105.07019	3.9
106.04170	24.0
107.04932	3.1
107.08596	2.7
109.02901	1.1
109.06541	1.1
109.10136	2.4
110.06018	0.8
110.10428	0.6
111.04422	1.1
111.08007	0.6
117.03346	0.8
119.04927	2.8
119.08557	2.0
120.08131	0.8
121.06496	25.6
121.10132	1.8
123.04398	1.5
123.08055	0.9
123.11678	0.7
124.05204	0.9
124.07642	1.0
124.95084	0.5
125.05986	6.9
127.03939	3.1
128.07024	0.8
129.10246	0.7
131.04915	1.9
133.06429	1.7
133.10124	1.5
134.03625	3.1
135.04381	1.6
135.08054	0.7
135.11699	1.9
137.05969	5.4
138.05486	3.1
138.06589	1.0
139.07512	2.3
140.07074	1.2
144.18947	0.6
145.02835	1.5
145.10092	1.1
147.04385	6.6
147.11665	0.9
148.05153	1.5
149.05972	42.0
149.13258	1.3
151.07558	1.7
152.07091	1.4
153.05435	2.0
153.09085	13.4
156.50586	0.6
159.04399	0.7
159.11595	0.9
161.05975	1.7
161.13239	0.9
162.01410	0.7
162.03038	0.6
163.03886	2.2
163.07520	2.6
165.05435	0.8
166.06233	1.2
167.07045	5.1
170.08127	2.4
175.14795	1.0
176.15033	0.6
177.05460	23.4
180.10089	0.7
181.08598	16.8
190.00865	0.8
191.06966	3.7
191.14218	0.8
192.07811	0.6
193.08598	2.3
195.06528	0.6
207.06635	1.1
209.08076	100.0
210.08470	1.1
218.11794	0.8
223.04230	6.5
243.06619	0.7
256.15430	0.7
305.24887	0.8
306.25150	1.6
306.67911	0.5
312.08853	1.3
314.12396	0.8
323.25928	0.6
324.26041	1.1
339.08676	0.6
342.27173	0.9
350.61517	0.6
359.27780	0.9
369.12289	0.6
377.48767	0.5
401.16135	0.8
455.18005	1.2
477.31473	0.7
540.21881	2.1
540.31232	1.3
542.16022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01867	13.4
55.05301	1.2
55.05511	15.2
57.03416	5.5
57.07072	56.9
65.03932	2.7
67.05501	42.6
69.03426	10.2
69.07064	15.9
69.97466	6.5
71.04978	4.8
71.08627	40.7
73.02907	10.3
75.41150	1.2
78.83430	1.2
79.05061	1.8
79.05488	24.5
81.03415	10.8
81.07053	46.9
83.04539	1.9
83.04982	25.4
83.08615	18.0
85.02911	10.9
85.06548	2.6
85.10180	21.1
87.09270	1.4
88.75646	1.1
91.05478	12.6
93.07035	23.6
95.04970	8.1
95.08602	47.0
97.02874	4.1
97.06509	9.3
97.10174	6.9
97.42262	1.2
99.04439	9.2
99.08102	2.1
99.11695	2.8
101.06018	1.6
105.07001	5.8
107.04945	10.7
107.08593	11.9
109.02870	15.4
109.06508	3.6
109.10153	24.8
110.03671	2.9
111.03686	2.6
111.04436	41.5
111.08068	7.5
111.11695	2.3
117.07017	7.6
119.08581	9.1
121.06487	1.8
121.10143	19.4
123.04448	1.4
123.11725	8.6
125.06029	2.5
125.09596	2.6
125.13233	1.7
127.03909	7.4
129.07013	3.0
130.07721	2.0
131.04976	1.2
131.08554	7.8
132.99530	7.0
133.10037	1.6
135.08061	2.6
135.11685	19.2
137.13237	4.5
139.65309	1.2
141.97127	1.3
145.06476	4.1
145.10133	15.6
147.11676	2.4
149.09595	5.1
151.00690	1.4
151.14790	1.4
153.12727	15.3
155.08534	5.1
163.11176	32.4
165.16441	1.5
170.43393	1.3
173.09630	11.8
177.09183	1.2
181.12228	30.9
191.00095	8.6
191.10677	26.9
209.01135	2.5
209.11707	10.9
221.22630	2.6
227.12778	34.0
239.23691	31.2
257.24850	1.5
265.03714	1.6
265.14404	10.2
274.60049	1.3
283.15396	36.8
303.52563	1.4
313.27335	22.0
314.27612	1.6
521.38562	12.1
539.28784	23.9
539.39227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01857	2.2
55.05500	0.8
65.03945	2.7
67.05496	1.3
68.05833	0.5
69.03416	1.4
69.07048	1.2
70.06570	1.5
70.39936	0.9
70.40333	1.0
71.04993	0.7
72.08141	1.9
75.04481	2.7
78.04695	1.8
79.05482	2.8
81.03395	1.5
81.07037	1.9
84.08119	0.8
85.02888	3.1
85.06538	2.5
86.09689	0.9
89.03912	1.4
89.06026	1.3
91.05479	11.4
93.03397	11.0
93.07031	5.2
95.04967	5.6
95.08579	1.6
97.02898	1.1
97.06522	2.8
98.06020	1.1
98.09687	0.7
98.21416	0.8
103.05470	5.6
105.03375	0.9
105.04522	0.5
105.07005	2.0
106.04167	24.8
107.04942	2.2
107.08572	1.5
109.02833	0.5
109.10144	1.1
111.04444	0.7
117.03350	1.4
119.04927	1.6
119.08607	1.1
121.06499	26.9
121.10109	0.6
123.04411	1.0
123.08032	1.1
123.11712	0.7
124.05162	0.8
125.05987	7.3
127.03891	1.4
131.04979	2.6
131.05811	0.5
131.08543	0.6
133.06456	0.8
133.10098	1.3
134.03621	3.3
135.04408	1.1
135.11630	0.8
137.05956	3.1
138.05521	0.7
138.06781	0.7
139.07526	2.0
145.02834	1.4
145.10153	0.5
147.04379	2.4
148.05176	1.9
149.05972	41.1
151.07530	2.3
153.05510	1.3
153.09090	11.0
157.09976	0.7
159.11768	0.5
162.01294	0.7
163.03877	2.4
163.07507	1.4
165.05495	0.7
166.06235	1.3
167.07028	3.6
173.13106	0.6
175.14798	0.5
177.05464	21.1
178.20537	0.4
181.08589	19.3
182.09355	0.5
188.03749	2.0
191.07014	1.9
203.42656	0.5
209.08080	100.0
219.10110	1.4
223.04250	5.7
289.06989	0.6
312.08887	1.4
314.07001	0.9
522.20856	0.6
540.26172	0.5
543.79950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.3
55.05505	14.6
57.03431	5.2
57.07067	12.4
58.71090	1.8
59.05008	3.7
61.02896	3.4
63.90169	1.6
63.90569	1.7
64.56149	1.8
67.05502	35.1
67.93233	1.9
69.03419	8.8
69.07062	19.9
70.06578	7.7
71.04975	5.9
71.07345	4.6
72.08167	8.7
79.05482	14.4
79.46531	1.6
81.03402	5.1
81.07050	60.5
83.04958	5.9
83.08606	5.4
84.04490	2.4
84.08107	5.5
85.02893	16.8
85.06537	100.0
86.09698	3.1
87.04462	3.0
91.05470	19.0
93.07029	38.8
95.04966	14.1
95.08597	45.1
97.02876	6.1
97.06516	11.7
97.10155	6.4
98.06051	4.4
99.04435	3.4
99.08080	10.5
103.05434	1.9
105.07027	24.0
106.04142	2.8
107.08586	31.6
109.02850	2.6
109.06507	4.4
109.09446	3.1
109.10143	39.1
110.06031	2.1
110.13128	1.7
111.08073	5.7
111.11689	3.3
113.09662	4.4
115.07574	1.7
115.08681	4.4
117.06992	4.1
117.99599	1.7
119.04911	2.3
119.08553	26.1
120.08082	2.2
121.06493	4.8
121.10130	26.3
122.85953	1.7
123.04482	2.4
123.08074	2.5
123.11670	12.9
125.09594	11.2
125.23721	1.7
127.03897	11.3
129.06953	2.1
131.08537	9.5
133.10107	27.6
135.08034	2.5
135.11697	27.2
137.05928	3.8
137.09610	8.1
137.13239	4.4
138.05478	12.3
139.11166	7.2
143.08551	4.4
143.10655	2.6
144.09325	2.2
145.10101	12.9
147.04382	8.7
147.11671	20.0
149.05931	7.9
149.09550	2.2
149.13229	14.1
151.03932	3.1
151.11203	2.7
153.12715	4.1
155.10661	3.6
155.95561	1.8
157.10063	5.6
157.12234	6.4
159.11728	13.6
161.05933	2.7
161.12094	1.7
161.13216	10.0
163.03831	3.7
163.11211	3.2
163.14784	7.7
165.12735	5.6
167.07034	4.5
167.10712	2.8
171.11690	2.9
173.13239	8.5
175.14786	9.3
177.05447	2.7
177.12787	2.5
177.16371	6.6
181.08504	2.3
183.13762	2.2
185.13260	4.3
187.14789	7.8
189.05270	2.3
189.16353	8.5
193.15857	5.6
195.13734	2.5
199.14816	3.2
201.16347	4.3
203.17883	4.2
207.17561	2.2
209.08095	12.8
211.16977	15.0
213.16409	9.2
221.19235	1.8
227.16275	3.0
227.18266	2.2
229.17998	5.2
231.17497	2.4
257.22604	2.4
259.09631	4.4
269.22577	8.1
275.23697	7.5
279.48550	1.8
287.23676	18.9
293.24741	8.3
305.24728	27.8
311.25729	5.7
323.25793	27.0
341.26883	22.3
359.27927	28.0
521.20911	4.2
539.18652	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	539.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05509	4.3
57.03392	1.1
57.07047	1.5
67.05505	6.5
67.05849	1.2
67.06384	0.7
69.07040	2.4
69.99258	2.3
69.99669	1.5
79.05484	5.7
81.03391	0.7
81.07056	5.9
83.08582	2.1
87.54791	0.8
89.94606	0.9
91.05472	6.2
93.07046	5.0
95.04926	1.1
95.08596	4.0
97.06475	1.2
97.10126	1.0
98.85996	0.7
105.07027	5.6
107.08543	3.2
109.10114	1.6
117.06940	2.1
119.08562	4.0
121.10074	2.1
129.06938	2.8
131.08495	2.5
133.10127	3.6
141.06827	1.6
143.08496	3.2
145.10052	2.9
147.11606	2.6
155.08490	2.7
157.10043	2.7
159.11615	2.1
161.13329	0.9
167.08498	2.2
169.10123	4.3
171.11696	3.4
173.13159	1.6
181.09964	2.0
183.11607	3.0
184.07297	1.0
185.13153	1.8
189.12589	0.9
194.20975	0.8
195.11589	3.1
197.13170	1.8
203.05281	1.0
207.13751	1.0
209.11348	0.9
209.13162	2.1
211.14706	1.7
213.16307	0.9
221.13196	1.0
223.14780	1.5
232.94164	0.9
259.20554	0.9
321.22275	1.3
429.31158	1.4
447.32654	4.6
465.33154	1.9
485.33734	0.9
516.30072	0.8
521.36792	3.7
521.43073	1.0
539.31238	100.0
540.31836	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.05509	16.7
57.07064	5.8
65.03938	3.3
67.05222	2.2
67.05511	28.8
69.03414	7.6
69.07062	26.6
69.93926	2.5
70.06580	3.3
70.10566	1.9
71.04995	2.7
71.08621	2.4
71.62563	2.0
72.08149	4.4
72.28443	1.9
79.05484	28.5
81.03403	7.6
81.07053	57.5
83.04973	1.9
83.08618	12.2
84.08160	2.9
85.02891	12.6
85.06519	2.1
87.00803	2.1
91.05475	40.8
93.07042	53.3
95.04967	9.9
95.08602	89.5
97.02906	10.7
97.06519	3.2
97.10155	6.7
99.04436	2.4
100.11252	2.8
103.05492	3.2
105.07026	65.1
107.04964	2.4
107.08590	64.3
109.02847	3.6
109.06501	5.7
109.10156	48.4
110.02413	2.4
111.04447	2.6
111.11754	2.0
115.05439	2.5
117.07010	19.6
119.04943	4.2
119.08570	70.1
121.06503	2.4
121.10141	50.1
123.04405	2.6
123.08039	3.1
123.11720	16.8
125.05968	3.4
125.09618	3.3
127.03893	7.4
128.06201	8.9
129.06990	15.0
130.07764	2.6
131.04932	3.0
131.08557	39.7
133.06464	3.8
133.10123	37.3
134.05991	2.5
135.04390	5.0
135.08011	2.6
135.11699	29.8
137.05971	8.8
137.13281	15.0
139.07568	2.5
141.06946	4.5
142.07777	12.2
143.08557	45.4
144.09331	5.2
145.10114	62.6
147.04419	10.1
147.08041	3.4
147.11682	37.6
149.05984	15.9
149.13271	18.6
151.07498	6.1
151.14792	4.4
155.08521	9.9
156.09335	7.8
157.10129	46.3
158.10934	2.8
159.08044	3.5
159.11687	50.7
160.12425	3.2
161.09575	4.7
161.13257	33.7
163.07527	6.5
163.11206	2.7
163.14822	11.5
165.09151	4.0
167.07018	5.7
167.08363	2.4
168.09343	3.5
169.10158	11.2
170.10954	12.2
171.08052	2.1
171.11673	30.0
172.12468	2.5
173.13274	18.0
175.07521	4.7
175.11166	3.9
175.14783	15.2
177.09061	4.1
177.16335	8.4
180.10164	2.9
182.10950	2.0
183.11674	15.5
184.12398	3.0
185.09718	3.5
185.13243	39.0
187.11134	5.1
187.14793	32.2
189.09070	9.3
189.16374	42.2
191.10655	7.5
191.17944	49.5
195.11717	5.9
197.13269	10.7
199.14822	72.0
200.10600	3.1
201.09215	3.0
201.12712	2.5
201.16364	40.1
203.10632	5.6
203.17940	41.7
205.12257	16.1
207.06393	2.1
207.11678	3.1
209.13239	6.3
211.14865	5.5
213.12753	3.5
213.16345	6.5
215.10713	4.7
215.17944	10.1
217.12233	9.1
217.15996	2.6
217.19551	5.1
219.13838	5.7
221.13344	2.3
223.14792	3.5
225.16360	5.0
227.07072	2.5
227.14259	7.0
227.17937	4.3
229.12201	4.6
229.19611	10.5
230.18829	2.9
231.13843	8.2
231.21054	7.7
233.15323	6.4
237.03076	2.2
237.16299	4.1
239.17752	4.7
241.08038	2.9
241.19543	4.7
243.13742	4.2
243.21085	5.6
245.15375	100.0
251.17976	13.8
253.19612	2.6
255.20944	5.1
257.15295	2.6
265.19482	3.5
269.22583	5.8
283.16934	2.9
285.18546	3.3
291.15921	2.9
295.05939	2.5
303.09979	2.5
303.15912	5.8
307.06140	4.2
311.05386	3.9
321.13235	3.7
323.05396	28.0
335.05438	7.3
337.06903	3.0
347.08978	3.2
347.15060	2.5
349.11902	3.2
349.16357	21.8
359.09042	6.7
377.10187	76.6
378.10519	6.3
379.11246	2.6
389.32007	63.0
393.13953	2.3
415.21103	4.3
435.32623	32.7
441.35110	2.8
453.33304	2.6
455.68304	2.1
476.76517	2.1
493.33270	13.6
495.34589	5.6
497.28485	2.6
503.19949	3.5
503.35321	2.8
521.21521	6.2
521.32062	4.4
539.15381	67.0
539.33496	69.4
540.15570	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	539.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27658	2.4
53.03925	6.9
55.01872	21.0
55.05510	17.2
57.03439	19.0
57.07072	67.8
61.02920	4.8
67.05501	29.8
69.03427	49.4
69.07054	19.0
71.01340	2.5
71.04980	7.0
71.08626	54.6
71.64702	3.4
73.02912	44.3
79.05486	5.5
81.03419	36.0
81.07055	39.8
83.04967	9.4
83.08607	30.9
85.02906	36.1
85.10180	29.8
89.06026	2.9
93.07025	6.3
95.08598	55.7
97.02306	3.3
97.02890	17.6
97.10153	15.7
99.04439	20.9
105.06991	3.0
109.02867	68.4
109.10154	30.5
110.03651	11.2
111.04434	49.6
111.11725	4.6
119.08612	2.8
121.86717	2.6
123.11696	12.2
125.13237	3.6
127.03908	35.5
132.99536	23.4
137.13203	6.2
151.00589	6.3
167.00087	3.3
172.99046	4.3
176.82977	2.7
191.00084	33.4
209.01161	11.0
209.11693	2.7
214.37247	3.1
221.22597	3.9
227.12819	4.6
239.23688	100.0
257.24799	9.6
265.03891	5.5
298.27466	5.5
313.27347	51.6
480.27155	3.2
524.21497	3.5
539.28833	98.4
539.38879	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	538.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.4
57.07075	7.6
62.06088	31.1
67.05499	5.5
69.07062	14.2
70.13896	0.9
70.87669	2.4
71.08317	0.8
71.08631	7.1
79.05482	2.5
81.07053	13.2
83.08601	5.8
85.10162	3.6
85.85838	0.9
86.06074	1.2
88.03989	1.3
91.05496	4.2
93.07033	8.1
95.04948	0.8
95.08597	14.3
97.06546	1.0
97.10161	6.8
98.06025	0.9
105.07021	7.0
107.04922	0.9
107.08588	8.9
109.06512	1.6
109.10127	9.2
111.04417	1.9
111.08067	1.5
111.11703	2.8
117.07008	1.2
119.08566	7.8
121.10117	6.5
123.11732	4.4
125.13205	0.9
126.09138	2.9
128.07059	3.1
131.08577	7.3
133.10118	9.7
135.11670	5.1
137.13205	2.9
143.08530	1.9
144.10106	0.9
145.10135	10.0
147.11674	6.8
149.13214	3.7
151.14749	1.2
153.90956	1.0
157.10120	2.9
159.11674	4.8
161.09590	1.6
161.13248	3.5
163.14819	2.4
171.11642	2.3
173.09616	5.1
173.13216	3.6
175.11133	1.8
175.14719	1.7
177.16350	1.8
179.10588	0.9
181.10054	1.0
183.11661	1.2
185.13203	3.0
187.11174	1.5
187.14845	2.8
191.10654	2.9
197.13242	1.4
199.11124	1.5
199.14851	2.7
201.12750	1.1
201.16441	2.7
205.12263	1.5
209.13217	1.4
213.12666	1.3
213.16295	2.0
215.14207	1.1
224.41568	1.0
227.14290	1.8
227.17989	2.3
229.15814	1.0
231.13745	1.3
245.15366	1.7
247.16806	1.0
255.17435	0.9
256.26245	1.4
259.16998	0.9
264.82935	0.9
269.19138	1.4
287.19943	1.0
301.28799	1.7
367.33487	3.4
409.34534	5.2
427.35770	11.5
452.38788	3.6
454.58984	1.0
470.33698	1.5
470.39914	22.9
488.40973	100.0
506.34845	1.7
506.42047	30.9
520.43915	5.6
538.36780	1.5
538.44684	27.0
538.52301	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	538.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.24276	0.3
55.01871	1.3
55.05508	3.4
57.03437	2.2
59.04990	1.0
61.02922	1.8
65.03935	1.4
67.05499	3.2
69.03424	4.6
69.07067	1.3
69.47582	1.2
69.48017	1.9
69.80612	0.3
70.06593	1.5
71.01351	0.5
71.04985	4.3
72.08157	0.9
73.02909	9.4
73.03298	0.7
79.05492	1.4
81.03422	1.7
81.07065	2.8
83.04974	4.9
83.08610	4.5
84.04502	0.4
84.08132	0.7
85.02898	9.1
85.06528	1.7
86.09693	0.5
87.04464	1.0
91.05465	1.7
93.07034	3.4
95.04961	100.0
95.08602	1.4
96.05294	1.2
97.02884	6.3
97.06505	1.5
97.10127	0.5
99.04446	16.6
99.08089	0.5
103.03947	0.8
105.07029	2.2
107.04947	0.5
107.08590	6.2
109.02885	1.8
109.06518	3.2
109.10149	3.3
111.04420	0.8
111.08076	1.4
115.03909	2.8
115.07557	0.4
117.07006	0.4
119.04948	0.8
119.08566	1.4
120.71101	0.3
121.06492	0.7
121.10124	2.7
122.10474	0.4
123.04425	2.6
123.08070	1.2
123.11730	1.1
124.03956	0.7
124.04783	0.7
125.05984	0.8
125.09612	3.6
127.03904	4.8
131.08554	1.9
133.04930	2.4
133.10124	7.2
135.04420	0.4
135.08058	1.8
135.11670	0.6
137.05971	1.2
137.09610	0.7
138.05449	1.8
139.03807	0.4
139.11169	1.2
143.08574	0.4
145.04951	2.3
145.10121	0.7
147.04399	3.0
147.11679	0.9
149.05925	0.6
149.09645	1.2
149.13263	1.4
151.03894	0.5
151.11166	9.9
153.05440	0.5
153.09090	22.5
155.07092	0.6
157.10103	0.5
158.10837	0.5
159.06558	0.4
159.11726	0.5
163.03935	0.4
163.05962	1.2
163.07376	0.4
163.14784	0.5
165.12706	0.5
167.07025	0.8
167.14302	5.9
169.12225	1.2
173.08101	1.1
173.13246	4.2
175.03987	0.4
175.07500	0.4
175.11191	0.5
175.14903	0.4
177.05426	0.7
179.03346	0.7
179.14302	1.9
180.03767	0.4
181.08585	0.4
181.12231	2.3
185.08072	0.4
187.03773	0.3
191.14264	4.0
193.08717	0.5
193.15903	0.7
195.10233	0.4
203.09106	0.4
207.06432	0.5
209.11908	1.7
209.15349	64.8
210.15700	0.7
215.06961	0.3
227.16466	1.9
233.15337	0.7
235.08209	0.4
241.07089	0.4
251.16406	4.1
253.42770	0.4
255.06476	0.5
259.08121	0.6
263.16287	0.9
268.08035	0.5
271.05942	1.7
272.06332	2.6
275.16275	0.4
287.16492	0.6
289.07071	1.2
290.07300	2.3
295.15247	0.4
305.17401	0.7
311.12820	0.5
319.18884	0.5
323.18423	0.7
335.18494	4.6
341.19641	3.9
353.19562	0.8
371.20599	3.5
411.76279	0.4
467.22180	0.6
503.24847	2.3
538.16779	0.5
538.29193	1.0
539.17230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07227	0.4
53.03930	0.6
54.17722	0.3
54.27502	0.3
55.01867	2.5
55.05509	10.5
57.03185	0.4
57.03431	3.7
57.07049	0.4
59.04977	0.9
61.02918	3.2
65.03909	1.0
67.05495	2.4
69.03082	0.4
69.03428	7.7
69.07063	1.7
70.06587	4.8
70.90142	1.2
71.01339	0.8
71.04967	1.7
71.06892	0.7
72.08139	2.4
73.02913	15.0
74.06023	0.4
78.93967	0.4
79.05492	2.0
81.03419	1.7
81.07051	3.4
83.04975	9.6
83.08149	0.4
83.08614	8.6
83.99348	0.3
84.04510	0.4
84.08124	1.3
85.02900	15.0
85.03420	0.8
85.06508	0.9
86.09689	0.8
87.04440	1.4
91.03941	0.8
91.05467	2.2
93.07032	2.4
94.06543	1.3
95.04964	18.5
95.08594	2.5
96.04443	0.7
97.02274	0.7
97.02889	12.1
97.06526	3.0
97.10172	2.1
98.06035	0.6
99.04456	5.1
99.08051	0.6
103.03911	0.6
105.07011	2.8
106.06531	1.6
107.04929	0.7
107.08591	5.0
108.08100	0.6
109.02876	2.1
109.06521	3.8
109.10150	8.3
110.06030	1.4
111.04448	0.6
111.08080	2.3
112.07049	0.3
112.07620	3.1
113.07954	0.7
113.09612	0.4
115.03911	5.1
115.07558	0.4
119.04949	2.4
119.08572	1.8
121.02880	2.4
121.06498	0.5
121.10143	3.4
122.03169	1.2
123.03380	0.4
123.04392	1.0
123.08063	1.0
123.11720	2.7
124.07574	0.8
125.06001	0.8
125.09631	3.0
127.03914	6.6
128.06960	0.4
129.10233	0.7
131.08549	1.6
133.04961	5.1
133.10121	6.2
134.05980	0.7
135.08038	2.6
135.11664	0.7
136.07626	0.5
137.05972	1.3
137.09621	1.0
138.05492	37.1
139.05815	0.8
139.11185	1.4
140.07059	2.2
141.07314	0.6
143.08490	0.5
144.09079	0.3
145.02859	0.8
145.04933	5.1
145.10081	0.8
146.05957	0.4
147.04393	4.3
147.11646	1.8
148.04758	1.0
149.05925	0.4
149.09604	0.7
149.13249	2.4
150.07631	0.5
151.03853	0.4
151.11179	14.3
152.07062	2.4
153.05489	0.4
153.09090	7.9
155.07002	0.6
155.10663	0.4
158.10851	0.5
159.04565	0.4
163.03819	0.4
163.06000	2.3
163.14795	0.6
167.07013	0.6
167.14307	17.5
168.06496	1.0
169.12225	0.8
170.08058	1.4
171.06522	0.9
173.08069	0.8
173.13263	3.0
174.97176	0.3
175.03859	2.1
175.14795	1.7
177.05460	1.2
178.05032	0.8
180.10161	0.9
181.12227	1.1
183.11377	0.3
185.08128	0.4
191.14296	4.5
193.15913	1.6
195.02956	0.4
195.10110	0.4
196.03334	0.4
199.06174	0.3
203.03300	0.5
204.03745	0.4
206.04468	1.2
207.06499	3.5
209.15352	100.0
210.15741	1.3
217.06758	0.4
223.05988	1.1
227.16417	8.9
233.15382	0.6
236.12817	0.7
237.13123	0.6
241.07024	1.5
255.06467	0.6
259.07983	3.0
277.09366	0.7
295.05832	1.1
295.10095	1.1
296.06265	2.1
297.06573	1.3
298.06940	1.4
307.05960	0.8
308.06393	1.6
308.09488	0.4
309.06924	1.3
310.07294	1.4
311.07990	0.5
312.08490	0.5
321.07309	1.2
322.07892	1.1
323.08212	1.5
324.08691	1.4
326.07349	1.0
327.07370	0.9
328.07819	1.2
333.07208	0.5
334.07980	1.1
335.08441	0.5
336.09103	1.0
338.07449	1.3
340.08157	1.7
341.19547	3.6
346.07928	0.7
347.08209	0.5
348.08783	0.8
350.07504	1.1
351.07657	1.5
352.07974	1.9
353.09296	0.5
362.07388	0.6
364.08209	1.6
366.09531	1.0
370.08667	0.5
371.20535	0.7
374.07382	0.7
375.07712	0.4
376.08264	1.3
377.08932	0.5
378.09799	0.5
379.07492	0.5
380.08334	1.9
381.08658	1.4
382.09091	3.1
390.09714	0.5
392.08389	1.0
393.08636	0.8
394.08856	2.5
396.10696	0.4
398.09219	0.8
399.09781	0.9
400.09949	2.2
402.09500	0.5
406.09299	0.9
408.10587	0.7
410.09485	1.3
411.09515	0.5
412.10068	2.6
418.09274	0.9
428.10675	0.5
430.11002	1.5
434.09680	0.5
436.10141	1.0
446.09454	0.5
448.10696	1.4
454.11258	1.4
464.10666	0.5
466.11072	1.5
472.12234	2.5
482.11426	1.6
484.12054	7.4
485.12000	0.6
500.12839	0.6
502.13113	6.5
503.13403	0.5
503.25046	0.6
520.13495	2.0
521.21210	0.8
538.17126	14.3
539.17737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.11786	1.2
55.01864	3.6
55.05517	6.2
55.05743	1.3
57.03431	10.3
57.07076	4.5
59.04990	2.2
61.02927	6.6
67.05492	4.3
69.03426	23.2
69.07060	5.2
69.67751	2.4
69.68175	6.2
70.06588	2.3
71.01347	2.5
71.04989	5.5
72.08154	4.0
73.02912	33.4
79.05493	4.0
81.03413	5.8
81.07053	11.2
83.04968	6.5
83.08609	4.8
84.08141	1.3
85.02896	36.3
85.06543	2.9
87.04451	2.9
91.05458	6.1
93.07037	6.6
95.04961	34.1
95.08582	6.3
97.02886	22.4
97.06537	10.7
98.06017	1.4
98.97565	1.3
99.04443	10.7
99.08105	4.3
105.07024	11.9
107.08589	13.0
109.02884	5.4
109.06499	21.6
109.10144	11.5
111.04411	1.2
111.08086	2.2
115.03922	11.8
115.07541	1.6
116.98598	1.5
119.04922	1.7
119.08567	8.4
121.06470	1.9
121.10123	15.4
123.08030	4.9
123.11720	5.6
125.09626	3.0
125.65386	1.2
127.03902	15.3
129.06998	1.2
131.08557	8.4
133.04956	11.5
133.10120	48.9
135.08023	6.1
135.11697	3.2
138.05460	5.4
139.11169	31.7
143.10666	1.5
145.04953	11.6
145.10124	3.7
147.04428	5.4
147.11682	18.4
149.09601	1.3
149.13243	6.2
151.11201	4.6
152.07086	1.4
153.09091	19.0
158.10899	3.6
158.99678	1.4
163.06085	2.9
163.14865	2.8
165.12735	6.3
167.10623	2.0
167.14339	4.3
168.06586	2.0
171.10153	5.9
173.13252	22.5
175.05986	1.2
175.14786	1.9
177.00809	1.7
181.04764	1.4
189.05875	1.2
190.04906	4.7
191.14287	47.2
199.05940	1.7
201.00639	1.1
207.06580	2.0
209.15349	63.8
223.05981	1.6
227.16400	100.0
237.02887	2.8
241.07071	3.3
259.07999	1.4
274.07016	5.1
283.07547	18.4
295.06989	3.5
320.14923	1.0
345.14407	1.1
346.09079	16.6
520.68030	1.1
521.21320	1.5
538.18365	2.6
538.26489	3.4
539.23383	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	538.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01855	2.4
57.03434	4.0
59.04980	2.8
60.81176	0.7
61.02918	6.0
62.10302	0.7
64.37058	0.7
65.03918	0.9
67.05489	3.1
68.99781	2.8
69.03426	22.4
69.07058	0.9
70.06573	2.2
70.93207	2.2
71.01339	0.7
71.04987	1.8
72.08147	1.5
73.02911	3.4
74.06056	0.8
79.05499	2.0
81.03410	10.6
81.07057	3.9
81.10081	0.6
83.04972	1.4
84.08111	1.7
85.02901	55.8
86.09702	1.0
86.53743	0.7
87.04465	2.9
91.03945	2.1
91.05466	2.5
93.07018	2.6
95.04980	4.0
95.08582	1.1
97.02888	16.0
97.06544	1.1
99.04449	3.8
101.02343	1.1
103.03931	2.2
103.05430	1.3
105.07044	1.9
106.02913	1.0
107.04928	2.3
107.08596	2.3
109.02870	10.2
109.10151	1.7
110.07219	0.7
111.04441	0.8
115.03900	1.9
117.07004	1.2
118.57344	0.8
119.04970	1.3
119.08553	2.2
120.08101	2.6
121.06503	4.0
121.10087	1.1
123.04421	100.0
124.03927	1.7
124.04769	1.7
126.05476	0.7
127.03915	16.6
129.10208	0.8
131.08519	1.2
133.10136	1.8
135.04422	2.4
135.11717	1.7
137.02332	0.9
137.05981	2.2
138.05499	1.5
145.04936	7.2
147.04411	12.0
149.05966	22.5
149.07103	1.5
149.09601	0.8
151.03877	4.9
152.07111	1.0
153.05489	0.9
159.02985	0.8
159.04381	0.8
159.08066	1.6
159.11691	1.2
161.05988	3.0
163.03926	1.1
163.07539	32.6
165.05460	3.8
165.12759	0.7
167.07028	2.2
173.05984	0.9
175.07542	3.3
175.14845	1.5
177.05516	1.0
177.09096	8.4
187.07516	3.4
189.05510	1.4
189.09132	3.6
201.05455	2.8
203.10674	0.9
205.08591	60.9
206.04427	0.9
209.15459	1.2
213.09099	1.3
219.10056	1.6
227.16354	0.9
231.10208	2.4
271.06012	7.4
299.12808	3.2
323.12796	1.6
341.13818	93.6
342.14224	2.6
383.14957	1.0
449.16150	1.0
485.18134	1.7
503.19083	42.3
504.19498	1.4
538.13428	3.0
538.30957	1.0
539.14972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01865	2.1
55.05497	1.3
57.03427	5.3
59.04989	3.0
61.02916	3.7
65.86133	0.8
67.05483	3.0
68.99776	2.0
69.03422	21.3
69.07050	1.5
70.06584	2.2
71.01359	1.2
71.04980	2.7
71.63282	1.6
72.08138	2.2
73.02901	3.1
78.03416	1.0
79.05495	1.9
81.03409	11.1
81.07035	4.1
83.01311	0.9
84.08128	1.9
85.02898	52.5
85.06548	1.8
87.04452	2.6
91.03938	2.6
91.05481	3.0
93.07036	3.2
95.04946	3.2
95.08601	3.8
97.02890	16.2
99.04458	3.7
103.03917	2.0
103.05414	1.3
105.07022	2.3
106.02890	1.1
107.04951	2.2
107.08572	2.4
109.02871	10.5
109.06483	1.6
109.10175	1.6
119.04939	1.6
119.08567	2.2
120.08085	1.8
121.06502	5.0
121.10132	1.1
123.04417	100.0
124.03931	2.6
124.04749	1.1
124.07630	1.1
127.03908	19.1
127.07568	0.9
128.04219	2.0
131.04881	1.2
131.08572	2.2
133.10127	2.1
135.04408	1.6
135.08023	1.9
136.07523	1.0
137.05959	3.0
137.09636	1.2
140.07036	1.0
145.04947	7.6
145.06485	1.7
145.10104	1.3
145.58856	0.8
147.04402	13.6
147.11678	1.9
149.05969	22.1
151.03912	3.4
152.07013	1.2
153.01749	1.1
153.05452	1.0
158.06230	1.0
159.02997	0.8
159.08011	1.9
159.11691	0.9
160.64861	0.9
161.05960	2.9
163.07526	28.2
165.05487	3.4
167.07011	1.7
173.05945	1.2
175.07558	3.0
175.14856	1.9
177.05435	1.1
177.09151	7.7
187.07512	2.9
189.05602	1.0
189.09166	1.6
201.05446	4.9
205.08578	60.9
206.04555	1.2
206.09047	1.2
207.06439	1.0
209.15288	1.3
215.07043	1.1
218.48457	0.9
219.10086	1.0
229.05038	1.5
231.10052	2.4
271.05991	11.7
299.12753	2.0
313.13904	1.1
323.12949	2.9
341.13803	93.5
342.14169	2.4
365.13675	1.2
407.14938	1.3
503.19098	40.5
504.19556	1.4
538.13251	3.9
538.30798	1.5
539.14246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
54.40832	0.6
55.01860	1.7
57.03411	0.6
61.02927	0.8
62.63571	0.5
65.03946	0.6
67.05471	0.7
69.03427	5.5
69.07053	1.2
70.06572	2.4
70.41828	2.0
70.42165	0.7
71.04984	1.4
72.08140	2.6
79.05476	1.5
81.03401	2.4
81.07039	1.5
83.08600	0.6
84.08145	1.1
85.02901	6.3
87.04439	0.7
91.05472	4.5
93.07025	1.9
94.04195	1.3
95.04980	3.1
95.08605	0.7
97.02882	3.6
97.06501	0.6
99.04474	1.6
100.11237	0.6
103.05446	2.4
105.07024	5.2
107.04918	2.0
107.08596	1.6
109.02864	3.1
109.06521	1.9
109.10137	1.0
111.04409	0.6
113.05956	0.6
115.05466	1.8
117.06989	1.9
119.04947	3.2
119.08552	1.5
121.02856	2.4
121.06525	2.4
121.10121	1.5
122.03743	3.1
123.04421	1.5
127.03904	4.6
128.06206	1.2
129.07025	1.2
131.04941	1.4
131.08562	0.6
132.05748	0.8
133.06474	4.4
133.10088	1.3
135.04393	1.0
135.08058	0.6
137.05966	100.0
138.05417	0.9
144.05714	0.7
145.04922	1.2
145.06473	3.3
147.03232	0.8
147.04399	12.3
147.08032	2.6
147.11696	1.4
149.05994	5.3
151.03889	0.6
151.07532	0.9
152.07011	0.6
153.05476	1.0
157.06480	0.7
159.06566	1.2
159.08069	1.7
160.05232	0.8
161.05965	16.9
162.06754	1.8
163.07518	1.3
167.07054	1.6
171.06506	2.0
171.07924	0.9
172.05157	0.9
173.05965	0.9
173.13194	0.8
175.07533	27.3
177.05365	0.9
177.09111	0.8
179.07088	0.9
179.08554	0.8
181.04967	1.2
187.07510	6.4
189.09076	0.7
190.07832	1.2
191.08546	3.6
191.14435	0.8
193.08578	6.7
199.07533	3.9
203.08617	1.3
205.04945	10.1
205.06743	0.8
205.08492	3.4
206.05307	6.9
207.08180	0.6
209.15240	1.1
213.11205	1.7
217.08664	1.6
218.07236	0.7
219.08040	6.9
220.08774	1.3
223.06015	1.2
227.16420	1.7
231.08078	1.7
236.08243	1.1
236.12842	1.7
242.16493	0.5
247.07579	2.5
248.08302	1.3
249.09003	0.8
251.10660	10.6
251.78535	0.7
253.08624	0.7
259.07513	1.8
260.08200	0.8
263.10840	1.2
264.07858	0.6
265.08493	1.0
269.11710	0.6
276.07697	0.9
279.10144	9.6
280.10895	1.2
281.08096	0.9
291.10049	4.4
292.10794	0.9
295.05887	1.2
296.06216	2.2
296.10278	0.8
297.06549	1.3
298.06958	2.1
302.01959	0.6
308.06400	0.8
308.09830	0.6
309.06970	1.6
309.11063	1.2
310.07037	1.3
311.12747	30.6
321.07379	2.3
322.07828	5.0
323.08807	1.2
323.12729	10.3
324.08499	1.8
326.07587	1.6
327.08051	0.7
328.07877	2.1
329.13705	5.4
334.07928	0.9
335.08685	0.8
336.08838	1.1
338.07281	1.2
339.08603	3.4
340.08923	9.2
341.09824	0.6
341.13794	13.3
350.07370	1.4
351.07745	1.1
352.08072	1.8
357.09662	3.5
358.09985	10.4
359.14709	1.0
362.07111	0.7
364.08350	1.5
366.09647	1.7
369.08734	0.7
375.10785	6.3
376.06900	0.9
376.11127	16.6
377.11197	0.9
378.09213	0.7
380.08624	1.6
381.08530	1.7
382.08960	2.3
392.08325	1.0
394.08963	2.8
398.09534	1.4
399.09909	0.8
400.09906	2.0
406.09222	1.0
408.10532	1.0
410.09561	1.5
411.09842	1.1
412.10068	2.8
418.10510	0.7
428.10443	0.9
429.10577	1.2
430.11063	2.4
436.10117	1.2
448.11316	0.7
452.10257	1.0
454.11032	2.3
454.34821	0.7
457.30508	0.7
466.11032	1.2
472.12128	4.7
475.31281	0.9
478.23047	0.7
482.11343	1.7
484.12167	7.5
502.13245	6.2
520.14252	2.9
538.15979	10.8
538.30023	1.0
539.16003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93067	0.8
53.03934	1.8
55.01846	0.9
55.05501	1.6
65.03944	4.2
66.06568	0.9
67.05481	1.4
69.03413	3.1
69.07030	0.7
69.68804	5.4
70.06568	3.3
71.04974	1.8
72.08152	6.1
74.06079	0.8
77.03925	1.0
77.52783	0.8
79.05492	7.5
79.51225	0.7
80.04962	0.9
81.03428	5.4
81.05801	2.6
82.06546	1.2
83.04951	2.2
84.04493	0.9
84.08125	3.0
85.02911	5.6
86.06046	0.8
86.09692	1.7
89.10731	0.8
91.05473	19.4
92.04993	6.7
93.07012	1.1
94.06570	1.2
95.04958	3.8
96.08145	7.4
97.02876	4.2
103.05467	1.3
105.07008	1.3
106.06553	42.8
107.04983	4.2
107.08601	0.9
108.08115	7.1
109.02894	4.1
109.05241	1.8
111.04430	1.3
111.55990	0.7
112.07601	0.8
114.10245	0.8
119.04947	30.8
121.02844	0.9
121.10117	1.1
122.06053	0.9
123.06805	6.6
123.08095	1.3
124.05209	1.3
124.07588	29.8
127.03885	2.7
129.10159	0.8
131.08601	0.9
133.02840	1.1
133.10129	1.0
134.06012	30.1
135.08044	1.7
135.11682	1.3
136.07573	4.8
137.05988	2.0
138.05518	1.1
143.08417	0.8
145.02855	0.8
147.04407	38.3
148.04736	1.6
150.05505	1.0
152.07063	80.9
153.05423	2.9
154.08711	0.9
157.03947	2.4
163.07538	1.8
165.01721	0.8
167.07007	2.7
170.08121	57.5
173.13196	0.8
175.03902	50.2
177.05435	1.2
179.07098	2.0
180.07794	1.7
185.04158	0.9
186.05542	1.7
191.14310	1.1
192.04187	1.2
195.10161	9.4
204.06523	0.9
207.06522	100.0
209.15364	1.6
215.07178	1.3
224.19205	0.8
225.07477	1.0
225.38344	0.8
234.11427	0.9
245.01724	0.7
252.10495	1.0
278.70349	0.8
280.09744	1.9
296.09390	0.9
308.09210	1.2
312.12280	2.7
314.12326	2.3
326.10110	0.9
332.13361	11.4
340.11710	2.9
351.10696	3.0
358.12854	1.7
369.11777	5.1
383.68719	1.2
429.48727	0.9
452.40155	0.8
478.16968	0.8
520.10565	1.5
520.18091	28.0
538.19122	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	537.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
57.07050	0.9
67.05499	1.2
69.07051	1.1
69.71300	3.9
71.04980	0.5
74.09686	0.6
79.05443	0.8
81.07036	1.8
83.08572	0.8
91.05437	0.8
93.07005	0.9
95.08603	1.0
105.06985	0.8
107.08596	1.2
109.10139	0.9
117.06949	0.7
121.10139	0.7
130.11464	0.5
134.03583	2.8
135.11662	1.1
153.12755	2.9
153.96567	0.6
185.05864	1.0
189.05431	1.5
213.05591	0.7
219.07985	0.7
245.09639	1.9
247.07669	0.9
261.09189	0.7
262.09991	1.1
266.66568	0.6
273.09079	1.5
275.07132	0.8
289.08542	1.7
290.09216	1.0
293.07965	1.0
299.05771	1.2
301.08578	2.1
310.04730	3.1
317.08072	1.0
318.08786	2.9
322.04807	1.0
322.08264	0.7
325.06973	4.9
329.07974	2.0
333.11212	5.0
337.06927	1.6
337.10590	1.6
345.07465	1.4
346.08304	8.3
361.10666	27.1
362.11011	0.8
364.09415	8.8
367.11722	7.1
379.11728	100.0
380.12259	1.3
461.19708	0.7
481.18726	1.0
501.22922	0.7
507.48343	0.6
519.23730	13.1
537.24670	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1604
Annotation	Chrysosplenoside E
Peak:m/z	Relative Intensity
51.16951	0.3
51.41615	0.2
52.68925	0.3
53.03885	0.7
55.01816	0.9
55.05451	0.4
57.03370	1.5
61.02862	2.1
67.05451	0.6
69.03425	8.5
69.03759	0.6
69.07000	0.7
70.06519	1.1
70.16026	1.3
71.01303	0.4
71.04926	0.7
71.29841	0.3
72.08086	2.0
73.02907	1.2
75.44882	0.2
79.05447	0.6
81.03420	2.6
81.06981	1.0
81.07394	0.3
84.04435	0.5
84.08076	0.6
85.02898	16.4
85.03368	0.6
85.06512	0.6
86.09621	0.7
87.04465	1.4
89.10771	0.3
91.03931	0.5
91.05396	0.8
93.06957	0.9
95.04941	0.6
95.08521	0.7
97.02882	5.9
97.06491	0.5
99.04454	1.3
101.02325	0.4
103.03916	0.3
105.06944	0.8
107.04883	0.5
107.08533	0.8
109.02858	2.4
109.06462	0.5
109.10062	0.9
112.07535	0.3
115.08626	0.3
119.04916	0.6
119.08598	0.5
121.02806	0.5
121.06432	0.5
121.10056	0.6
123.04385	0.4
125.05843	0.3
127.03912	4.7
131.04855	0.4
133.02786	0.5
133.10065	0.6
134.03589	0.3
135.04419	0.4
135.11591	0.5
137.05977	1.2
145.04951	1.9
145.10036	0.3
147.04401	2.9
147.11557	0.4
151.03813	1.1
151.07457	0.4
153.01840	1.4
153.02774	0.3
163.03824	0.8
167.06964	1.0
175.14719	0.4
177.01817	0.3
177.05408	0.8
191.03278	1.0
191.07060	0.3
193.01242	0.4
195.02840	0.7
201.05565	0.3
207.02763	0.3
207.13725	0.6
208.03529	0.4
210.01535	0.5
211.02243	1.1
212.03049	0.4
239.06898	0.3
240.03171	0.9
243.06531	0.3
253.05009	0.6
255.06392	0.4
258.08929	0.3
265.04675	0.3
267.06335	0.5
269.07892	0.3
270.05151	0.3
271.05939	2.2
281.04379	0.8
282.04999	0.5
283.06079	0.3
285.07437	0.5
295.05975	0.9
296.06540	0.8
297.07468	0.8
299.05539	3.7
303.23267	0.6
307.06015	0.3
309.03845	1.5
309.07147	0.3
310.04608	0.5
311.05396	0.9
311.08914	0.4
312.06302	0.8
313.06973	0.9
314.04202	1.4
314.07346	0.4
321.07822	0.3
321.24222	0.7
323.05414	0.8
324.06247	1.1
325.07016	1.8
326.04291	1.2
326.07629	0.3
326.60999	0.3
327.05072	5.4
327.08585	0.5
329.06500	5.6
329.10349	0.4
330.06891	0.5
337.06769	0.4
339.08603	0.6
339.25345	0.4
341.06528	16.4
342.07312	36.7
343.07861	0.8
355.07886	0.5
357.09656	51.8
358.10013	0.9
360.08426	0.6
375.10724	100.0
376.11151	1.7
381.09500	0.4
383.18619	0.6
399.10568	0.8
417.11768	0.5
501.12552	0.3
537.16504	0.5
537.30200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06376	0.2
55.05502	0.3
56.05027	0.5
58.06601	0.4
60.08160	6.4
67.05506	0.7
69.89452	1.0
70.06583	0.3
71.07375	2.7
79.05489	0.2
81.07055	0.9
85.02880	0.4
85.06507	0.2
86.09701	26.8
91.05417	0.2
91.05864	0.2
92.21655	0.2
93.07053	0.5
93.38568	0.2
95.08597	0.7
98.20792	0.3
98.98448	2.3
104.10732	2.7
105.07011	0.4
107.08611	0.2
107.62558	0.2
109.10156	0.3
115.32542	0.2
124.99998	18.7
127.03910	0.3
133.10132	0.2
135.11668	0.2
137.81343	0.2
140.21767	0.2
143.01051	0.5
147.04393	0.3
155.49712	0.2
167.05534	0.6
167.06882	0.2
184.07329	100.0
185.07635	0.3
186.07866	0.2
190.42398	0.2
248.42984	0.2
299.06107	1.2
325.06744	0.2
344.97757	0.3
379.11984	0.4
380.11795	0.3
500.31198	1.1
518.32465	8.2
536.31335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.16
Annotation	5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside
Peak:m/z	Relative Intensity
53.03901	0.9
55.01832	0.8
57.03425	1.9
61.02916	2.6
67.05457	0.5
68.99722	0.4
69.03419	9.7
69.07024	0.5
69.90040	1.4
71.01308	0.4
71.04984	1.3
72.08105	0.4
73.02911	1.6
76.82781	0.2
79.05439	0.6
81.03405	2.9
81.07004	0.6
83.01313	0.3
84.08058	0.2
85.02895	13.4
87.04457	1.7
88.91766	0.2
91.03930	0.5
91.05419	0.8
93.03394	1.7
93.07030	0.3
95.01279	0.5
95.04926	0.6
95.08541	0.7
97.02877	4.8
99.04457	1.2
101.02341	0.4
103.03834	0.2
104.41918	0.2
105.06957	0.6
107.04901	1.0
109.02853	1.9
109.06470	0.2
109.10123	0.5
115.05392	0.5
117.06995	0.3
119.04893	0.9
119.08529	0.5
121.02824	0.3
121.06445	0.3
123.04424	1.2
127.03900	2.7
129.05428	0.3
131.04858	0.5
131.08510	0.2
133.02806	0.2
133.06456	0.4
133.10065	0.6
135.04358	1.0
137.02324	2.9
137.05911	0.9
141.06863	0.3
141.79791	0.3
143.04837	0.7
145.04890	0.6
145.06389	0.5
146.92918	0.2
147.04402	1.5
149.02286	0.3
151.03806	0.2
153.90091	0.2
157.06442	0.2
159.04399	0.4
161.02251	0.3
161.05913	0.6
163.03822	0.8
167.06992	0.4
169.06398	0.4
173.05995	1.3
175.03889	0.6
175.14841	1.3
176.15179	1.4
177.01762	0.2
177.05391	0.6
187.03709	0.3
187.07623	0.4
189.05473	0.3
191.08554	0.5
194.16063	0.3
195.08038	0.4
197.05933	0.5
201.05382	0.8
202.06120	0.4
203.03270	0.4
205.04936	9.8
209.09512	0.5
215.06987	0.7
219.08064	0.5
221.04376	0.3
223.05948	0.6
225.05339	0.4
229.04909	1.0
237.09010	0.8
243.06361	0.5
247.07500	0.8
255.10106	1.2
265.08481	1.1
267.10254	0.3
268.07187	0.3
269.08078	0.5
271.06027	1.4
281.07947	0.5
283.09607	3.2
289.07037	1.8
293.08029	1.7
295.05988	0.6
296.06647	0.3
297.07440	0.9
309.07404	0.4
310.07913	0.3
311.05783	0.4
311.09116	2.4
313.06967	0.3
321.07529	5.7
322.08490	0.3
323.05338	0.3
329.10117	0.4
337.06848	0.6
338.07748	1.0
339.08582	100.0
340.08887	2.1
354.11768	0.2
355.08020	0.3
356.08914	0.3
357.09637	55.1
358.10110	1.0
363.08157	0.5
375.10696	41.8
376.11032	1.0
381.09793	1.4
393.08926	0.3
399.10742	1.4
417.11877	0.5
501.13858	2.1
519.14978	13.0
520.15161	0.4
537.15985	73.4
538.16370	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	536.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01867	3.6
55.05492	7.5
57.03426	2.5
57.07069	1.9
61.02890	2.3
65.03909	2.1
67.05493	7.2
69.03423	13.5
69.07068	12.4
70.06591	12.9
71.04999	13.9
71.62573	2.8
71.62971	2.0
72.08150	27.3
73.02888	2.9
73.08470	2.2
75.98023	1.7
76.86658	1.6
79.05481	14.3
81.03432	10.8
81.07054	18.2
81.37853	1.7
83.04958	9.2
83.08617	3.5
84.04485	3.6
84.08140	6.1
85.02898	28.4
86.06050	2.8
86.09706	6.3
87.04460	2.3
87.10044	2.3
89.10747	2.5
91.05463	22.4
93.07043	23.9
95.04951	6.8
95.08610	26.7
97.02885	12.7
97.06525	3.8
98.06042	3.7
99.04485	2.9
99.08083	7.7
99.08671	1.8
103.03938	1.9
103.05421	2.9
105.07024	54.6
107.04939	3.5
107.08582	31.8
109.02871	7.3
109.06501	2.4
109.10131	6.0
110.02327	2.4
110.07167	2.1
110.50175	1.8
111.04422	2.1
113.09638	3.4
114.28718	1.8
115.03949	1.8
119.04927	19.0
119.08572	57.2
120.04448	2.1
120.08121	3.8
121.02873	7.9
121.05576	1.8
121.06480	3.3
121.10118	11.3
123.04449	1.9
123.08042	4.4
123.11703	3.6
125.09595	2.5
127.03899	13.2
128.06169	1.8
129.05466	10.0
131.04877	2.0
131.08554	5.6
133.06494	3.1
133.10127	69.2
135.08017	2.8
135.10684	2.3
135.11694	37.7
136.07574	2.7
137.05940	6.5
137.09587	7.5
138.05510	4.9
145.02867	2.1
145.04913	5.1
145.10063	2.3
147.04404	52.7
147.06487	6.2
147.11658	7.0
148.04730	4.6
149.09616	2.1
149.13274	5.5
151.03882	2.7
151.07558	2.7
152.06990	2.6
153.09009	2.3
160.04794	1.9
161.05992	2.7
163.03911	4.0
167.06987	9.1
173.05994	3.2
173.13254	2.5
175.03856	11.4
175.14819	100.0
177.05391	6.6
177.16373	1.9
184.06061	5.7
187.07605	2.8
193.15878	17.8
193.96385	2.1
199.03854	2.3
200.04218	2.7
201.05415	5.3
207.06493	25.4
207.13774	2.9
211.07431	1.9
216.07405	1.9
216.75644	2.0
241.08527	2.1
271.06003	6.0
277.16565	5.9
281.08118	2.4
284.13797	2.1
295.05771	2.9
296.06421	8.6
299.06161	3.7
307.06100	2.5
308.06406	4.6
309.07455	8.4
309.11407	2.4
310.07907	6.2
320.06146	1.9
321.07584	4.3
322.07858	5.9
325.07077	4.2
326.07428	4.5
334.07922	5.0
337.06940	2.4
338.07364	5.5
339.08527	3.7
342.07422	3.6
346.07828	2.2
350.07266	4.3
356.15948	2.0
357.09576	5.8
362.07523	2.6
364.08896	3.8
374.09286	3.0
374.15924	5.7
375.10910	15.0
380.08322	7.4
392.08514	7.3
398.09305	5.6
410.09488	7.3
427.09628	2.1
428.10260	4.3
430.19382	3.5
434.09610	3.5
446.10294	3.1
452.10486	3.9
464.10675	3.6
470.11713	9.0
482.11771	16.1
483.11240	2.3
500.12595	14.5
501.13211	2.8
518.13696	5.1
518.29285	6.4
519.14368	2.6
536.14539	2.8
536.23029	2.4
536.30750	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	536.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03921	1.7
55.01868	2.2
55.05519	5.5
57.03423	2.1
57.07067	2.7
59.05004	1.1
61.02914	1.3
65.03931	1.3
67.05503	5.3
68.86404	1.0
69.03426	5.5
69.06750	1.1
69.07063	9.4
70.06582	6.0
71.04636	1.3
71.04992	14.0
71.13309	2.5
72.07803	1.0
72.08154	13.1
73.02925	1.4
75.04459	1.9
76.47782	1.0
79.05488	8.5
81.03393	3.8
81.07053	12.9
83.04974	5.9
83.08607	3.2
84.04496	2.5
84.08119	4.6
84.17717	1.0
85.02412	1.9
85.02900	24.6
85.06525	2.7
86.03200	1.1
86.09696	4.5
87.04445	2.4
88.16079	1.0
91.05456	16.3
93.07040	16.8
95.04958	4.6
95.08602	24.9
97.02885	7.4
97.06523	2.3
99.04475	1.9
99.08076	6.1
103.05434	2.2
105.03435	1.1
105.07025	46.5
107.04922	1.6
107.08585	25.9
109.02847	3.2
109.06535	2.9
109.10155	4.3
111.04424	2.8
113.09650	3.5
114.10240	2.1
115.08714	1.2
117.03451	1.2
117.07018	2.5
119.04939	9.4
119.08578	57.0
120.08093	2.3
121.02838	3.8
121.06523	1.7
121.10135	7.3
123.04410	2.4
123.08038	2.9
123.11702	4.3
127.03923	7.7
129.05438	9.2
129.10252	2.0
131.04904	1.7
131.08551	3.2
131.12930	1.0
133.10126	60.6
135.11687	38.9
137.05937	3.7
137.09628	5.0
138.05453	1.9
143.08693	1.2
145.02863	1.9
145.04955	2.3
145.10126	2.4
147.04417	23.3
147.06451	4.9
147.11670	6.1
148.04741	2.6
149.13251	3.4
151.07518	2.8
152.07039	1.3
153.09059	1.2
161.05975	3.2
161.13152	1.3
163.03951	1.7
163.07545	1.5
167.05634	1.8
167.07043	3.7
170.67889	1.2
173.13242	2.5
175.03906	5.9
175.07457	1.6
175.14818	100.0
176.15152	1.3
177.05458	2.8
177.16397	2.7
179.06897	1.2
184.06064	2.6
189.09074	1.2
191.07050	1.1
193.08513	1.4
193.15865	17.6
195.10081	1.1
199.03976	1.7
200.04124	1.1
201.05557	2.1
202.05798	1.2
207.06514	15.6
207.13811	2.1
214.05736	1.3
215.06956	1.2
218.11740	2.5
227.07004	1.4
250.06952	1.1
255.28224	1.0
263.09189	1.2
268.07730	1.2
271.05966	4.1
272.06180	1.2
277.16571	3.9
292.07123	1.3
295.05859	3.4
296.06384	3.1
299.06046	3.8
307.05997	1.1
308.06284	2.6
309.07376	2.8
309.11487	1.5
310.07999	3.8
321.07410	1.8
322.07864	3.9
324.06302	1.1
325.06976	1.5
326.07410	2.8
329.06485	2.4
334.07883	2.3
336.09344	1.3
337.06955	2.0
338.07385	3.7
339.08035	1.5
341.06345	1.3
342.07297	2.9
350.07333	3.0
352.08618	2.0
357.09735	5.0
362.07877	1.2
364.08905	2.9
374.16071	2.6
375.07513	1.5
375.10938	11.6
376.08780	1.7
379.07813	1.2
380.08395	4.3
387.88809	1.1
392.08340	3.1
398.09268	2.3
404.08151	1.3
410.09369	3.4
428.10168	1.3
430.19351	1.8
434.09375	1.9
446.11542	1.1
452.10452	2.2
464.10611	1.8
470.11661	5.7
482.11588	8.3
500.12662	7.9
501.12704	1.3
518.13824	3.6
518.29449	3.7
536.14868	2.6
536.24170	2.5
536.30914	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	536.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01869	1.0
55.05512	3.2
57.03429	9.7
59.04994	1.7
61.02920	2.1
62.43307	0.8
65.60613	0.9
67.05499	2.5
68.99787	0.8
69.03426	5.6
69.07066	1.4
70.06593	1.9
70.15762	0.8
71.01334	0.8
71.04985	100.0
71.63445	1.6
72.08149	1.1
73.02902	2.5
75.04467	3.7
79.05492	2.2
81.03420	4.7
81.07049	6.6
83.04967	10.4
83.08615	1.1
84.08124	1.1
85.02895	82.7
86.06039	1.0
87.04447	2.9
87.08101	1.1
91.05488	2.5
92.97275	0.9
93.07037	3.6
95.04970	3.1
95.08575	4.4
97.02885	7.0
99.04459	2.3
103.03938	1.5
103.05441	0.9
105.03335	1.2
105.07032	2.9
107.04961	1.9
107.08580	5.7
109.02889	3.6
109.06503	1.3
109.10171	2.5
111.04429	8.5
117.07011	0.9
119.04884	1.3
119.08578	3.3
121.06519	1.0
121.09303	0.8
121.10123	21.9
123.04420	18.7
123.08051	2.6
123.11694	28.4
123.12565	1.7
124.04768	1.3
125.09602	1.1
127.03904	15.7
129.05469	32.0
130.71040	0.9
131.04898	0.9
131.08585	1.3
133.10112	2.4
135.04533	1.3
135.11696	1.4
137.05984	3.7
137.09613	2.5
144.02048	0.8
145.02847	1.2
145.04936	3.5
146.05934	0.8
147.04459	5.8
147.06493	17.6
147.11700	1.9
149.02347	1.0
149.05978	1.8
149.09579	1.0
149.13268	2.2
151.03922	1.5
151.07480	1.7
151.11145	5.2
153.05466	1.0
161.05937	1.3
163.03920	2.3
163.07576	1.6
164.09161	1.1
165.07552	1.2
165.12729	5.0
165.16580	1.0
167.05591	1.8
167.07065	2.7
175.07498	1.0
175.14790	4.6
177.05470	2.1
178.04938	1.1
191.07031	1.1
193.15862	91.0
194.16255	1.6
203.06932	1.0
205.08592	1.1
206.04515	1.3
207.06482	1.6
211.16908	65.8
213.05325	1.1
213.09145	1.4
225.14877	1.8
229.18011	3.3
237.07614	2.0
255.08714	3.5
271.05997	1.0
273.09653	2.9
273.24347	0.8
283.06165	1.2
285.11328	2.1
287.05615	1.0
291.10358	1.1
299.05817	4.8
300.05844	5.3
307.06039	0.9
309.11630	2.7
321.20621	2.9
325.06985	1.1
339.12271	3.7
356.12054	1.9
357.08951	1.1
357.13239	3.3
357.22684	2.1
373.12558	1.2
374.12973	5.5
482.11740	1.8
501.17447	1.3
518.17529	1.4
518.29437	1.1
519.18134	1.5
536.30945	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	536.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73460	0.4
52.50757	0.3
55.01862	0.7
55.05501	0.5
57.03421	0.7
57.07057	0.5
61.02928	0.9
65.03931	0.9
65.16149	0.4
65.83643	0.4
66.21912	0.4
67.05502	5.4
68.99784	1.5
69.03432	2.0
69.07036	0.4
70.47221	0.3
70.93923	1.2
71.05005	0.8
79.05475	0.8
81.03410	1.0
81.07051	1.8
85.02896	6.2
85.06535	3.8
87.04509	0.4
91.05448	0.9
93.07027	1.1
95.04948	1.7
95.08620	0.6
97.02876	1.8
99.04480	0.6
102.90814	0.4
103.05468	0.9
105.03377	0.4
105.07024	1.5
107.04939	1.0
107.08560	0.6
109.02852	0.9
109.10162	0.5
115.05437	0.5
117.06991	0.9
119.04883	0.5
119.08627	0.4
120.05759	0.5
121.06474	3.7
121.10121	0.5
122.07283	0.5
123.04420	97.4
127.03917	1.6
130.50220	0.4
133.06517	0.8
133.10184	0.4
135.04457	0.9
135.08051	0.6
137.05954	2.3
145.04974	0.8
145.06474	1.7
147.04410	1.2
147.08049	1.1
149.04752	0.8
149.05968	15.4
150.06755	5.1
151.07530	4.3
161.05963	0.7
163.07541	20.4
165.05449	0.5
167.05579	0.5
171.07977	0.6
175.07542	5.0
175.11084	0.4
177.05666	0.5
189.09178	1.2
190.00925	0.5
203.10718	0.8
217.12199	0.4
219.87517	0.4
221.11716	96.6
222.12080	0.6
235.13289	5.6
245.70905	0.4
247.13356	3.3
253.21635	1.0
267.10251	0.9
285.11203	20.5
299.06262	1.5
357.16940	100.0
358.17416	0.9
361.45786	0.4
381.16885	1.9
414.99088	0.4
423.17703	0.6
536.34082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10340	0.4
53.00300	0.4
53.03947	0.4
54.00607	0.4
55.01862	1.0
55.05502	0.6
57.03403	0.8
58.09308	0.5
60.02486	0.4
61.02898	0.7
62.79388	0.4
67.05491	2.6
69.03431	2.4
69.07062	14.0
69.77845	3.1
79.05483	1.9
81.03402	1.4
81.07037	2.1
83.08612	1.0
83.19157	0.5
85.02907	4.3
91.05432	1.3
91.40295	0.4
93.07030	1.0
95.04947	2.5
95.08598	1.2
97.02888	2.4
97.10179	0.6
99.04487	0.6
103.05447	0.6
105.07007	2.5
107.04918	0.9
107.08591	1.0
109.02861	0.7
109.06553	0.7
109.10145	0.8
115.05413	0.5
117.07018	1.7
119.04882	0.8
119.08553	0.8
121.06512	1.3
123.04416	100.0
127.03904	1.5
133.06461	3.0
133.10124	0.6
135.04382	1.6
135.08044	1.2
135.11642	0.5
137.05978	0.8
138.03123	1.9
145.04927	0.7
145.06497	1.2
147.03310	0.6
147.04391	3.0
149.05963	6.5
153.05452	48.6
161.06059	0.5
163.07547	0.6
164.04541	0.6
165.05476	3.4
167.05600	0.9
167.06995	6.7
173.05956	0.8
176.04605	0.6
177.05505	0.8
179.07007	10.7
184.07320	0.7
191.07018	5.6
191.10657	1.1
198.57533	0.5
210.14795	0.6
221.11726	4.0
233.11682	1.6
235.13321	1.3
253.21538	0.7
269.08011	0.9
271.22705	2.1
283.09766	0.6
287.05597	0.5
287.09113	1.5
289.10654	14.2
299.06146	2.0
301.10675	63.7
302.10919	0.7
320.16617	0.5
357.16901	7.7
380.12207	0.7
463.15903	9.5
536.34961	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	536.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65236	0.4
55.01856	0.5
67.05505	2.2
68.57246	0.4
69.03413	1.2
69.06711	0.8
69.07064	10.3
69.75581	2.0
69.75998	0.9
79.05487	1.4
81.03397	1.2
81.07048	1.2
81.69309	0.5
83.04987	0.6
83.08631	0.5
85.02911	3.3
91.05463	0.6
93.07053	0.8
95.04974	3.0
95.08591	0.7
97.02889	1.2
103.05470	1.2
105.07023	3.0
107.08578	0.9
109.02899	0.8
109.06549	0.5
112.39196	0.5
115.05432	0.7
117.07007	3.0
119.04910	0.4
121.06467	1.1
123.04417	100.0
127.03916	3.1
130.19611	0.4
131.04950	0.6
133.06488	5.7
135.04420	1.3
135.08011	1.1
137.06018	1.0
137.50615	0.4
138.03104	1.1
140.75574	0.5
145.06479	0.9
145.10045	0.5
147.04382	1.6
149.05945	3.5
153.05455	35.2
161.06012	0.9
165.05478	3.7
167.05624	1.0
167.07037	4.4
176.04651	0.9
177.05431	0.5
179.07018	10.4
179.08559	0.8
180.08676	0.6
180.10252	0.6
189.09221	0.5
191.07011	6.3
191.10591	0.7
213.09145	0.8
221.11748	2.8
233.11681	1.1
235.13336	0.8
241.08479	0.8
251.07053	0.6
269.07956	1.0
283.09494	0.6
287.09006	1.2
289.10709	11.4
290.29462	0.4
299.06229	2.0
301.10678	58.9
344.97559	0.5
357.16910	7.0
379.11398	0.8
380.12180	0.6
463.16623	0.5
518.22308	1.0
518.34454	0.9
536.24023	0.6
536.30267	0.6
536.35126	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
54.70431	0.9
55.01859	1.3
55.05489	2.4
56.73763	0.9
57.03432	1.7
57.26119	0.8
61.02909	2.5
67.05511	2.0
68.99788	6.3
69.03113	1.0
69.03428	9.1
69.07045	2.5
70.06562	1.6
71.04977	2.2
72.08154	1.3
73.02890	1.5
79.05460	2.8
81.03406	3.9
81.07053	11.2
83.04991	1.2
85.02910	11.5
85.06557	2.0
87.04457	2.0
91.05466	3.1
93.07016	4.4
95.04955	4.6
95.08585	3.0
97.02899	6.8
97.06499	1.5
99.04443	1.8
99.08109	0.9
101.02377	1.1
103.05448	3.0
105.07003	3.9
107.04951	3.0
107.08595	1.7
109.02872	4.7
109.06495	2.4
109.10159	1.6
117.07004	1.4
119.04926	1.6
119.08555	2.3
120.08097	1.3
121.06490	8.4
123.04420	61.8
127.03891	7.7
128.06209	2.9
129.06996	1.0
131.04892	1.2
131.08562	1.0
133.06471	2.1
133.10136	2.1
134.06044	1.3
135.04372	1.0
136.07487	1.0
137.05954	3.8
137.09714	1.1
141.06851	0.9
143.08530	6.5
145.04900	1.1
145.06503	1.5
145.10104	1.5
147.04370	2.5
147.11688	1.0
149.05966	55.7
149.09628	1.4
151.07539	1.5
152.07085	1.0
155.08456	1.0
158.07193	0.9
159.08084	1.2
161.05914	2.2
161.09621	2.0
163.07559	3.3
165.05457	1.4
167.05540	2.0
167.06993	1.3
169.10316	1.1
171.07997	5.7
172.08820	1.3
173.09508	1.7
175.03873	1.2
175.07532	4.4
175.11169	5.2
177.05458	2.2
180.10213	1.3
184.07378	0.9
187.07544	2.3
188.08310	4.8
189.05363	1.1
189.09091	3.7
191.10655	1.4
201.09091	2.1
203.10652	44.8
205.12195	1.1
206.08209	1.4
217.12224	14.2
221.11646	1.1
229.12257	2.4
229.39043	1.2
285.11121	3.4
299.06201	4.5
303.23331	1.2
325.14435	1.4
336.87158	1.0
339.15891	48.3
345.59854	1.0
354.27084	1.2
357.16806	1.9
373.13199	1.4
374.13165	1.3
380.11929	1.1
392.24402	1.3
492.33841	5.2
500.33417	2.1
501.21173	100.0
502.21313	3.2
518.34973	4.4
535.69275	1.1
536.34027	3.8
564.66565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01859	1.6
55.05502	5.8
57.03432	2.3
57.07063	1.1
63.67741	0.9
65.03946	1.0
67.05485	2.1
68.99812	1.0
69.03421	11.1
69.07051	3.8
70.06577	3.3
70.15071	1.0
71.04986	8.0
72.08170	6.5
73.02924	1.3
79.05503	2.3
81.03414	2.3
81.07047	4.0
83.04974	6.0
83.08598	2.7
84.08127	4.4
85.02898	14.8
85.06545	0.9
86.06097	1.7
86.09680	1.0
91.05466	3.0
93.07031	5.4
95.04945	1.8
95.08605	6.1
97.02886	6.4
97.06506	1.7
97.10165	3.5
99.04471	1.7
99.08125	4.5
101.06003	2.1
105.07013	2.6
107.04962	1.6
107.08591	12.3
109.02874	2.4
109.06524	3.2
109.10131	5.7
110.10524	1.0
111.04417	2.4
111.08098	4.3
113.06020	1.4
119.04921	2.8
119.08553	2.0
120.08170	1.0
121.02855	3.8
121.06529	1.9
121.10120	10.0
123.04386	1.2
123.08078	2.4
123.11657	1.6
125.05982	2.0
125.09617	37.1
127.03928	4.8
128.10773	1.3
129.05455	2.8
131.08575	2.2
133.10143	5.0
135.04449	1.1
135.08046	3.6
135.11664	2.4
137.05974	1.2
137.09618	2.5
138.05441	1.1
138.09081	1.0
139.07571	1.6
145.04912	1.1
145.10072	1.2
146.11736	1.0
147.04401	7.9
147.06622	1.5
147.11659	2.6
149.09601	44.7
149.13206	5.1
151.11186	12.3
152.07053	1.0
153.09096	9.9
163.03920	1.3
163.14760	7.1
167.06995	1.4
167.10645	1.6
173.13264	3.4
177.05408	2.2
191.14285	24.0
195.02895	1.0
200.23215	1.0
207.13702	1.8
209.15352	100.0
227.08150	0.9
227.16403	29.4
229.72354	1.0
235.14456	1.5
283.05655	1.3
285.07382	1.8
294.05316	1.6
295.05920	5.0
295.09045	0.9
307.06052	4.2
308.06836	1.6
308.16931	1.5
309.07397	1.3
309.17480	1.3
321.07599	3.0
322.08194	1.1
325.07043	2.0
333.07632	2.2
335.09131	2.0
337.07104	3.7
345.07401	1.1
347.09052	1.0
349.06876	3.2
361.06979	1.7
363.08875	1.9
367.07968	1.1
371.20688	2.0
375.08780	1.2
379.08109	4.3
389.10236	1.0
389.21436	2.4
391.08054	4.0
397.09052	3.0
405.09860	1.4
409.09232	2.8
427.10153	2.2
433.09198	2.9
445.10309	1.6
451.09964	1.9
463.10080	2.0
469.11206	2.3
481.11337	6.9
499.12234	3.9
535.22528	1.1
535.33209	8.7
536.15240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.6
67.05489	4.4
69.07038	1.3
71.62512	1.6
79.05477	4.3
81.07038	3.7
83.04967	2.4
91.05463	7.5
93.07039	3.0
95.08613	2.2
100.05535	1.0
105.07015	12.2
107.08601	3.4
109.10145	3.5
131.08545	1.6
133.10115	13.4
134.03593	4.0
189.05440	1.7
245.09387	1.4
247.07475	1.3
261.09018	1.2
262.10007	1.4
273.09109	1.8
282.05154	1.2
289.08499	2.1
301.08542	3.1
307.09464	1.6
310.04791	6.7
313.07077	1.3
318.08810	4.8
325.07065	17.8
327.08594	2.5
329.08041	2.1
333.11267	5.7
333.14655	1.2
337.07031	2.5
337.10587	1.3
345.07678	2.5
346.08334	12.6
351.08603	2.1
361.06287	2.2
361.10690	26.7
364.09369	11.7
367.11694	6.7
379.11743	100.0
393.13641	1.4
397.12973	1.8
429.13290	2.8
445.16287	1.6
457.16220	1.7
463.17633	2.3
469.16391	1.3
485.24716	1.1
499.21109	32.5
517.22168	34.1
535.23126	3.3
564.73804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1806
Annotation	Phellatin
Peak:m/z	Relative Intensity
53.03915	0.9
55.01838	0.9
55.05476	0.9
57.03432	1.9
57.03642	0.6
58.93396	0.4
59.04989	4.1
61.02879	1.7
61.03157	0.4
63.35867	0.3
67.05454	1.2
69.03423	8.1
69.07036	0.6
69.97579	2.4
70.06538	0.7
71.04959	0.8
72.08141	3.7
73.02858	1.6
79.05470	0.5
81.03400	2.5
81.06995	1.5
83.08559	0.6
85.02896	11.4
87.04426	0.9
89.10729	0.9
91.05418	1.5
92.99705	1.0
93.03327	0.4
93.07021	0.8
95.04912	0.5
95.08582	0.7
97.02892	3.8
97.10179	0.4
98.21410	0.5
99.04389	1.4
100.11196	1.1
101.02322	0.5
103.03893	0.9
105.07001	1.1
107.04930	0.9
107.08572	0.6
107.87370	0.4
109.02856	2.0
109.10072	0.5
111.04375	0.4
114.10242	0.7
115.08675	0.6
117.03325	0.8
119.04852	1.2
119.08556	0.6
121.02861	1.9
121.10065	0.5
123.04433	0.7
123.11694	0.6
127.03891	3.1
131.04886	0.7
133.10178	0.6
135.04370	1.1
137.05936	1.3
145.02809	1.6
145.04901	1.3
145.06461	0.6
147.04416	2.8
147.11572	0.5
151.03856	0.5
159.04370	0.7
161.05933	0.7
163.03897	2.8
167.07101	2.1
167.08406	0.6
173.02316	0.6
173.05905	1.4
175.03822	0.8
177.05450	1.8
177.06854	0.5
179.03413	2.5
181.06380	0.7
182.15271	0.5
185.05940	0.7
187.03868	0.6
187.07414	0.5
195.07991	1.3
197.05943	0.7
197.81035	0.4
199.03804	0.9
199.07486	0.5
201.05438	1.4
210.14857	0.5
213.05473	1.4
213.08997	1.4
217.04852	0.5
223.07539	0.9
225.05510	0.5
226.06320	0.5
227.07016	0.8
229.04951	3.1
239.06937	1.0
241.05019	0.5
241.08618	3.3
247.06020	1.1
251.07022	0.6
253.04976	0.6
253.08521	0.4
254.66202	0.4
255.06612	0.8
267.06390	2.3
269.08093	2.4
271.05933	1.5
273.03909	1.4
273.07520	0.6
279.06488	4.3
281.08063	1.3
283.05936	4.4
287.05435	4.3
295.05984	3.1
297.07547	100.0
298.07938	2.3
299.09097	1.3
307.05911	1.1
308.06763	1.5
309.07559	3.6
309.11066	0.7
311.12735	1.0
321.07462	2.0
325.07043	1.0
327.08600	4.3
333.07254	0.7
335.08942	0.5
337.06796	0.5
337.10699	6.6
337.55826	0.4
339.08658	4.1
349.07166	0.6
351.08466	1.0
355.11710	44.3
356.12048	1.0
363.08456	0.8
373.12793	25.4
374.13193	0.8
379.08124	1.5
391.08176	0.8
397.12985	2.0
400.36502	0.4
409.09134	0.8
415.14053	1.1
427.09830	0.5
429.19162	1.6
447.20300	0.6
451.09937	0.5
459.12753	1.4
469.11438	1.0
481.11356	1.6
492.36972	0.4
499.12274	1.8
517.17084	23.1
517.29205	1.9
518.17944	0.9
534.43280	0.7
535.18109	59.5
535.29968	8.9
536.18451	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	535.1808
Annotation	Phellatin
Peak:m/z	Relative Intensity
51.02382	0.4
53.03926	0.8
53.19075	0.3
53.43806	0.3
55.01839	1.5
55.05488	0.9
57.03403	1.3
59.04972	0.5
61.02887	1.2
61.30213	0.5
64.20760	0.4
65.03921	0.9
67.05474	1.5
68.99751	0.9
69.03082	0.4
69.03423	5.8
69.07027	1.1
70.06582	0.6
71.04968	0.9
71.61593	0.9
72.08129	0.9
72.42958	0.3
73.02888	0.8
79.05447	1.7
81.03419	4.3
81.07063	3.2
83.04984	0.7
84.04481	0.4
84.08138	4.6
85.02903	7.8
85.06518	1.1
86.03187	0.5
87.04422	0.5
91.03940	0.5
91.05457	2.2
93.03364	0.5
93.07043	2.1
95.04963	3.7
95.08628	2.0
97.02892	4.1
97.06494	1.0
99.04444	0.6
103.05428	0.4
105.06994	1.5
107.04932	1.4
107.08566	1.2
109.02886	2.0
109.06501	1.1
109.10124	1.6
111.04402	0.7
111.08054	0.6
112.87907	0.4
117.03342	0.4
119.04913	0.8
119.08554	1.2
120.08089	0.4
121.02856	4.9
121.06471	0.7
121.10094	0.9
123.04430	3.4
123.08057	0.6
125.05930	0.4
127.03913	3.7
130.08594	0.4
131.08546	0.8
133.06485	0.5
133.10092	1.3
134.03658	0.8
135.04378	1.5
135.08034	0.5
135.11668	0.7
137.05949	1.7
137.09566	0.5
137.13145	0.4
139.03844	0.7
143.08476	0.4
145.02826	1.1
145.04994	0.5
145.06557	0.5
145.10092	0.6
147.04350	1.2
147.11676	0.8
149.02339	8.5
149.05908	1.0
149.09601	0.5
149.13176	0.6
151.03914	1.8
153.01778	0.5
161.02304	0.7
163.03903	3.6
167.03384	3.4
167.07039	1.2
169.04996	2.2
171.03041	0.4
173.06052	0.5
173.13239	0.4
175.07454	0.4
177.05466	2.0
179.03387	42.3
181.04970	0.4
181.06596	0.4
186.05281	0.5
187.03914	0.7
191.03259	0.5
191.14264	0.8
197.04442	34.8
201.05301	0.5
203.03470	0.4
207.06520	0.5
209.05995	1.2
213.05504	2.0
215.06998	0.4
237.05417	1.3
252.04285	0.5
255.06514	0.5
265.04977	3.0
267.06570	0.6
269.21072	0.8
271.05978	0.5
273.07498	0.6
273.11316	0.7
280.03604	1.6
283.05945	4.4
285.11279	0.5
295.05991	16.7
299.05539	1.3
299.09122	1.3
311.12732	0.6
313.07040	100.0
314.07471	1.7
325.07135	1.0
329.13837	0.5
337.10678	0.9
337.14304	0.6
339.08279	0.4
351.08755	0.5
355.11746	58.0
355.29474	1.4
356.12119	0.7
363.08804	0.4
373.12784	21.7
373.30652	1.2
377.10135	0.5
379.11761	1.1
429.18753	0.5
475.12350	15.9
480.02774	0.5
499.12112	0.8
517.17078	20.4
517.29590	1.4
518.16577	0.5
535.18085	22.4
535.30524	4.6
563.42181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1803
Annotation	Amurensin
Peak:m/z	Relative Intensity
53.03918	0.6
55.01834	0.6
55.05460	0.7
57.03408	0.5
61.02875	0.8
65.03898	0.3
67.05453	1.1
69.03423	3.9
69.07025	1.2
69.52020	0.9
69.52454	1.4
70.06560	0.4
71.01317	0.3
71.04979	1.2
72.08109	0.4
73.02867	0.7
77.39799	0.3
77.83232	0.2
79.05451	1.0
81.03413	2.4
81.07050	2.7
83.04923	0.4
83.08569	0.7
84.08131	1.2
85.02898	6.2
85.06490	1.1
87.04408	0.8
91.03934	0.3
91.05454	1.3
93.07027	1.8
95.04922	0.9
95.08585	2.0
97.02868	2.1
97.06462	0.7
97.10109	0.4
99.04424	0.5
103.05419	0.6
105.06964	1.1
107.04903	0.9
107.08580	1.6
109.02892	1.3
109.06480	0.4
109.10098	1.0
111.04395	0.4
117.03290	0.8
117.06955	0.6
119.04922	0.5
119.08585	1.2
121.02850	2.0
121.06435	0.5
121.10075	1.1
122.03562	0.3
122.10468	0.2
123.04408	1.5
123.08015	0.3
123.11680	0.5
125.05949	0.3
127.03914	1.9
128.06253	0.3
131.04854	1.0
131.08533	0.3
133.02736	0.3
133.10063	0.7
134.03618	0.3
135.04401	1.2
135.08040	0.3
135.11668	0.6
137.02267	0.4
137.05963	1.8
137.09557	0.3
139.03848	0.8
143.08533	0.3
145.02872	1.2
145.04915	0.4
145.06418	0.4
145.10080	0.6
147.04353	1.2
147.08012	0.4
147.11626	0.6
149.02264	0.9
149.05901	0.7
149.13229	0.3
151.03909	0.3
151.07542	0.4
153.06898	0.8
161.02301	0.3
161.05916	0.4
163.03844	1.1
163.07494	0.9
167.03357	0.6
167.07014	1.5
171.08023	0.3
173.05827	0.3
175.07501	0.7
175.11160	0.4
175.14790	0.3
177.05417	1.9
179.03389	0.4
181.04999	0.4
181.06406	1.1
187.07521	0.4
189.09122	0.4
189.11008	0.2
191.14226	0.3
193.08588	0.3
197.04321	0.3
199.07492	0.8
201.05443	0.6
209.05956	1.3
213.05525	0.3
227.06934	1.4
229.08537	0.5
229.62700	0.3
237.05437	2.6
239.07047	0.5
255.06409	1.9
257.07990	0.3
265.04919	0.8
270.05130	0.8
271.05975	0.5
282.05124	0.3
283.05978	35.8
284.06345	0.7
285.07587	0.8
287.05383	0.4
295.06027	0.8
297.07288	0.4
298.04639	1.7
312.06140	0.6
313.07013	100.0
314.07513	1.4
319.22919	0.3
319.26343	0.8
321.07553	0.4
325.07104	0.4
333.07611	0.5
334.08203	0.3
337.06836	0.6
337.10791	0.4
337.27359	1.0
339.09256	0.3
339.15887	0.6
349.06982	0.4
355.11713	31.2
355.28632	0.8
373.12747	4.4
379.07745	0.5
391.08060	0.3
397.13269	0.4
409.09210	0.4
427.09818	0.3
469.11139	0.3
475.12326	18.6
476.12592	0.5
481.11423	0.6
499.12231	0.9
517.17035	33.9
518.17401	0.5
535.18109	18.1
535.30499	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	535.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31067	2.1
55.01858	8.4
55.21618	2.2
69.44265	21.1
69.44592	2.5
72.08145	3.6
93.75015	1.8
97.02861	2.9
98.21454	4.0
101.92332	2.0
119.04938	9.4
121.02852	37.0
133.63046	2.3
135.04359	2.0
145.02841	13.2
147.04431	5.6
175.03940	2.3
177.05476	17.8
179.03410	3.4
187.03937	3.5
189.01758	4.5
195.02817	8.1
203.03349	15.3
205.04980	2.6
207.02856	9.1
215.03389	8.4
217.04924	4.8
219.02776	2.3
221.04466	7.7
227.03331	2.7
233.04477	4.7
243.02936	3.9
248.12828	8.6
255.02808	2.8
267.06711	2.7
268.07422	2.2
273.03983	2.5
279.06442	3.3
280.07349	3.9
281.07999	3.7
283.06009	4.3
292.07040	2.4
293.08163	4.8
294.05212	11.9
295.06006	61.0
295.09341	4.4
296.06680	5.9
297.07504	7.8
305.08069	4.0
306.08710	3.6
307.05997	41.8
307.09393	3.7
308.06720	14.7
309.07605	19.9
313.06982	3.0
317.08032	3.9
319.06046	7.7
320.06686	9.9
321.07553	49.3
322.08182	5.2
323.09106	6.7
325.07056	35.6
329.08044	3.3
331.06226	2.9
333.07526	26.9
334.08475	4.9
335.09164	15.1
336.06442	2.4
337.07056	29.1
345.07541	15.2
347.09189	9.7
349.07056	41.5
351.08603	21.0
355.08167	2.7
359.09216	3.1
361.06973	24.8
363.08432	21.5
367.08087	9.1
373.07065	12.2
373.17563	18.6
375.08578	13.6
377.10184	3.2
379.08118	64.5
385.07645	2.2
387.08502	6.3
389.10083	4.5
391.08096	45.7
393.09906	4.2
397.09213	40.8
399.08633	3.2
403.07971	11.0
405.09494	11.2
405.91602	2.1
409.09158	60.0
415.08075	11.3
417.09579	8.2
421.09012	5.9
427.10266	31.3
433.09222	31.0
445.09451	17.0
451.10178	34.4
463.10236	28.5
469.11282	61.3
481.11267	100.0
499.12323	70.9
517.13507	25.2
535.14087	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	535.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.8
61.02912	6.1
69.30170	2.1
69.46351	6.0
69.46766	17.1
73.02892	2.3
73.10638	2.3
73.16618	2.5
74.07413	2.2
91.05471	2.7
91.71616	2.2
98.21430	5.7
107.04933	2.4
119.04958	8.9
121.02860	49.4
129.18658	2.3
145.02808	7.8
157.06419	2.6
167.07039	7.4
175.04016	2.7
177.01720	2.5
179.03339	3.8
185.05931	3.3
187.03928	4.4
189.01863	6.3
191.03352	7.0
195.02910	11.6
201.01830	3.6
203.03352	19.7
205.04848	2.4
207.02850	9.0
209.04501	2.3
215.03307	8.6
217.05008	7.1
219.02974	5.1
221.04451	6.4
227.03368	5.7
231.02907	3.8
233.04446	8.2
243.02850	6.0
245.04300	4.4
268.07315	6.8
271.06012	5.0
273.03827	4.4
279.06549	3.5
280.07349	3.5
283.05887	6.8
291.06540	5.6
292.07263	4.0
293.08075	6.6
294.05206	18.1
295.05994	81.9
296.06674	7.8
297.07529	10.9
305.07993	3.9
307.05988	66.3
307.09485	5.5
308.06787	21.5
309.07455	23.3
313.07092	2.9
317.07953	8.6
319.06009	6.4
320.06793	15.3
321.07529	68.8
322.08228	9.1
323.05499	3.1
323.09122	8.1
325.07007	59.6
329.08176	5.3
331.05862	3.9
333.07504	40.4
334.08209	8.7
335.05444	3.6
335.09116	28.5
336.06128	3.2
337.03128	4.7
337.07019	60.9
337.11047	3.5
339.08667	7.8
345.07562	25.3
347.09067	10.3
349.07004	60.7
351.08627	29.6
355.08212	7.4
359.09183	4.0
361.06995	39.4
361.11157	3.2
363.08572	38.8
367.07999	12.7
373.06985	20.7
375.08643	17.3
377.10226	3.8
379.08102	89.3
387.08661	10.4
389.10107	5.8
391.08090	79.7
392.08478	3.2
393.09637	4.8
397.09174	38.6
399.08649	5.6
403.08112	20.4
405.04901	2.9
405.09586	15.8
409.09180	70.7
415.08029	12.8
417.09637	9.3
421.09131	7.4
427.10275	56.6
433.09171	34.1
445.10114	23.7
451.10187	37.3
463.10147	23.6
469.04578	2.8
469.11270	77.5
481.11295	100.0
499.12326	94.6
517.13373	33.9
535.14777	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	535.1441
Annotation	CHEBI:131754
Peak:m/z	Relative Intensity
55.01865	13.8
61.02916	2.6
65.03943	2.1
68.63239	2.1
70.88000	6.2
91.05456	2.6
98.20772	2.0
98.83466	2.3
119.04948	11.6
121.02859	46.4
130.79430	2.5
145.02843	5.9
175.03925	2.8
177.01823	3.3
187.03853	3.6
189.01884	6.4
191.03276	3.5
195.02843	6.2
203.03375	18.1
207.02913	9.2
209.04561	3.4
215.03389	10.1
217.04948	8.3
219.02866	6.0
221.04414	7.8
225.05434	3.4
233.04451	4.1
243.02873	5.3
245.04408	3.6
268.07361	4.7
269.04422	3.7
271.06308	2.1
273.03915	3.0
279.06677	3.3
281.08105	3.6
283.06006	6.7
292.07272	3.9
294.05237	10.1
295.06000	62.8
296.06744	4.0
297.07559	5.4
305.08005	5.6
306.08942	3.0
307.06052	47.7
307.09454	3.3
308.06705	17.2
309.07443	21.3
313.07068	3.3
317.08066	5.7
319.06088	6.5
320.06839	9.6
321.07574	58.5
322.08154	7.7
323.09100	6.3
325.07022	47.1
329.08060	5.8
333.07556	36.7
334.08258	9.2
335.09036	20.3
336.06171	4.5
337.07056	37.6
339.08707	5.3
345.07629	18.7
347.09058	9.6
349.07062	56.9
349.11264	3.0
351.08582	23.9
355.08234	4.5
359.09106	4.9
361.07047	35.9
363.08582	34.2
367.08023	10.2
371.09134	4.2
373.07062	18.4
375.08606	18.5
377.10153	5.6
379.08112	73.3
387.08655	13.1
389.09964	6.5
391.08096	57.0
393.09656	4.6
397.09171	31.5
399.08740	4.4
403.08008	14.0
405.09714	16.1
409.09149	57.3
415.08548	15.7
417.09732	10.4
421.09274	5.4
427.10236	38.9
433.09174	37.8
445.09595	20.3
451.10245	33.5
463.10165	23.8
469.11301	66.2
481.11292	98.8
487.04227	2.6
499.12314	100.0
517.13342	39.8
535.14423	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	535.1446
Annotation	CHEBI:131754
Peak:m/z	Relative Intensity
55.01865	2.0
57.03172	1.1
57.03432	9.1
61.02930	2.9
65.31226	0.6
67.05487	1.0
68.99807	0.9
69.03424	1.6
70.19030	2.4
71.01331	0.7
71.04986	0.7
72.08160	3.4
73.02916	17.2
79.05469	0.7
81.03426	1.2
81.07028	0.9
85.02903	1.4
91.05457	1.1
97.02876	1.6
105.07017	0.7
109.02907	0.9
115.03920	1.2
119.04925	2.3
121.02870	10.0
122.38351	0.6
123.45205	0.6
127.03902	0.7
131.04895	0.7
135.04436	0.7
141.21547	0.7
142.25845	0.6
145.02797	3.0
147.04359	1.5
149.02376	1.1
161.05890	1.0
163.03888	4.8
165.01836	5.2
167.03371	2.6
167.07050	1.9
173.06009	0.9
175.03876	1.5
177.01801	1.0
179.03326	1.5
181.04984	0.9
183.02838	3.8
187.03856	1.5
191.03381	1.1
193.04932	0.8
194.44612	0.7
195.02863	1.4
203.03473	1.9
205.02611	0.6
213.05412	0.6
215.07167	0.6
220.71788	0.7
221.04459	1.4
227.07010	0.9
228.30251	0.6
229.05002	1.3
231.02904	1.1
246.33469	0.6
249.03935	1.2
251.51172	0.6
255.06683	0.9
263.78897	0.6
267.06409	4.1
270.05280	1.8
271.05988	7.4
273.03833	0.6
279.06570	3.4
281.08051	9.5
283.06003	72.0
284.06735	8.0
287.05414	0.8
293.08041	4.0
294.04974	0.8
295.05966	13.7
297.04175	0.8
297.07513	12.3
305.08084	1.8
307.05939	5.0
308.06744	1.5
309.07538	31.8
311.05942	0.9
311.09021	3.8
313.07040	53.1
314.07388	1.3
316.46173	0.7
321.07547	33.5
322.07742	1.1
325.07071	9.5
337.07043	58.9
338.07800	0.8
339.08618	4.1
343.08411	1.0
349.07053	38.2
367.08112	74.7
368.08459	0.9
379.08203	1.6
385.09155	28.7
391.08298	1.1
397.09155	1.0
403.10233	100.0
404.10519	1.5
409.09189	0.9
425.54333	0.7
427.10535	1.4
433.09250	0.6
445.09286	0.9
451.10278	0.8
469.11200	1.8
481.11356	2.5
498.68909	0.6
499.12308	2.5
517.13141	1.0
517.29010	1.4
535.14331	5.8
535.21552	6.5
535.29919	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	535.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.1
61.02921	1.7
69.61838	3.4
69.62244	11.0
74.33272	1.3
97.02879	2.3
107.05016	1.7
119.04945	5.9
121.02863	30.7
145.02859	3.7
147.04369	2.2
161.02431	1.5
163.03876	2.1
166.46075	1.5
173.06058	1.4
185.09375	1.4
189.01825	3.9
191.03397	4.1
195.02856	6.9
199.03979	2.5
201.05617	1.6
203.03383	13.1
207.02905	5.3
213.05440	1.9
215.03419	5.7
217.04962	3.9
218.67561	1.5
219.02977	2.0
221.04482	4.3
227.03384	2.7
231.02859	1.9
233.04439	5.3
243.03099	1.8
245.04593	2.2
257.04486	1.8
261.04099	2.9
268.07239	2.5
273.04047	2.3
279.06607	4.0
281.04825	1.8
281.07950	2.6
283.05975	3.5
284.43320	1.5
291.06409	2.9
294.05148	12.1
295.06000	50.5
295.09357	3.2
296.06747	4.4
297.07547	6.7
305.07996	3.8
306.08676	1.7
307.06009	44.9
307.09433	2.7
308.06778	11.7
309.07510	15.4
313.07074	2.2
317.07999	4.7
319.06000	5.8
319.09430	1.9
320.06830	9.0
321.07568	44.3
322.08261	4.9
323.05649	2.2
323.09219	4.6
325.07101	35.6
325.10883	2.4
329.08014	4.1
331.06061	2.4
333.07571	26.3
334.08368	4.2
335.05557	2.3
335.09128	14.5
336.06305	4.3
337.07019	38.9
339.08661	3.3
345.07553	14.7
347.09109	4.7
348.06448	2.1
349.07037	44.5
351.04712	2.5
351.08633	20.0
355.08371	3.1
359.09125	4.4
361.06989	24.3
363.08612	25.3
367.08249	11.0
373.06964	17.9
375.08667	14.0
377.10257	3.4
379.08115	56.9
381.09247	2.0
387.08566	11.7
389.10236	4.0
391.08133	46.9
393.09573	5.3
397.09183	40.1
399.08627	5.4
403.07935	13.4
405.09729	7.8
409.09158	46.3
415.07990	14.3
417.09598	8.4
421.08902	5.3
427.10248	33.7
433.09131	22.3
445.09830	20.4
451.10165	25.9
463.10217	24.1
469.11276	39.3
481.11276	100.0
499.12341	90.1
517.13385	32.5
535.14362	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05507	22.1
57.03422	5.9
57.07072	12.1
58.06596	1.6
60.08146	6.3
61.02909	5.1
67.05499	81.7
69.03409	1.8
69.07063	27.6
69.94846	3.2
69.95240	7.6
71.04966	2.0
71.07369	2.4
71.08611	7.6
73.02902	1.8
79.05488	19.8
81.07051	100.0
83.04951	1.8
83.08607	25.2
85.02884	5.1
85.06528	4.1
86.09702	23.3
91.03915	1.8
91.05466	16.6
93.07040	27.7
95.04938	2.6
95.08599	90.8
97.02867	3.8
97.06532	7.7
97.10168	17.1
98.98435	1.9
99.08078	4.2
104.10737	46.1
105.07014	15.8
107.08591	20.6
109.06496	1.8
109.10152	41.5
111.08060	3.7
111.11704	5.4
119.08571	16.3
121.10137	25.6
123.08055	2.1
123.11705	22.6
124.99968	13.2
125.09641	1.8
127.11221	1.9
129.84441	1.3
133.10127	20.5
135.11667	14.3
137.09570	1.6
137.13271	9.1
141.12717	4.2
147.11697	10.1
149.13269	10.0
151.14856	7.7
155.14261	4.0
161.13260	14.5
163.14781	12.4
165.16393	8.4
171.80887	1.4
175.14838	11.5
175.50885	1.6
177.16371	4.6
179.17918	8.4
184.07338	40.8
189.16374	6.1
209.69974	1.4
217.19557	2.3
245.22629	68.6
263.23682	96.3
265.25333	1.7
281.24722	3.0
325.07214	1.7
332.03223	1.6
337.27313	67.6
350.51752	1.5
355.28342	9.5
361.10651	1.6
371.13174	1.6
379.11884	3.5
380.12094	2.4
475.22067	2.3
488.83539	2.0
499.32510	3.4
516.21130	2.7
516.34058	2.2
534.21698	1.7
534.28925	2.7
534.35706	12.8
535.22961	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	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	18.1
57.07065	11.0
61.02923	6.6
65.93420	4.0
67.05167	5.4
67.05502	73.7
69.07063	23.7
71.08628	5.5
71.63335	4.2
79.05494	21.7
81.03379	4.2
81.07053	90.1
83.05011	5.0
83.08627	18.8
85.02908	6.2
85.06537	4.8
86.09687	4.8
91.05464	18.1
93.07036	28.9
95.04881	4.7
95.08042	6.1
95.08605	72.3
97.02882	7.4
97.06532	8.8
97.10165	11.1
104.10684	8.2
105.07013	11.1
107.08582	21.0
109.10165	35.8
111.08073	7.1
111.11739	4.0
119.08548	10.9
121.10181	23.0
123.11708	26.6
126.39997	4.0
131.08560	5.1
133.10098	12.8
135.11685	17.4
137.13235	6.4
147.11650	13.9
149.13229	8.8
151.14790	7.3
161.13252	12.8
163.14809	8.5
165.16386	6.3
171.93716	3.8
173.79691	4.0
175.14830	9.1
179.17924	8.6
184.07401	9.7
189.16467	5.1
227.20058	5.0
245.22623	71.1
263.23694	100.0
294.79767	3.9
337.27341	38.6
361.10587	5.4
379.11661	8.9
389.26749	9.7
407.27774	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	534.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05505	7.7
57.03426	0.5
57.07064	0.6
58.06582	1.3
59.04984	1.1
61.02901	0.3
62.31173	0.3
67.05494	2.3
69.03424	1.6
69.07066	2.1
70.08799	1.5
70.09150	0.4
71.04989	2.9
73.02908	0.7
79.05498	2.4
81.03413	0.8
81.07050	6.4
83.04973	3.5
83.08609	3.4
84.08134	24.6
85.02898	3.3
85.06525	1.5
87.04436	0.7
91.05474	1.5
93.07036	3.5
95.04966	4.7
95.08601	2.9
97.02880	1.2
97.06506	1.0
97.10163	1.0
99.04446	3.2
99.08102	0.6
100.11239	1.3
101.06008	13.1
103.03876	0.3
105.07009	3.0
107.08590	6.1
109.02882	0.7
109.06496	3.7
109.10135	2.4
111.04433	0.6
111.08059	0.8
111.94975	0.3
117.06954	0.4
119.08569	1.4
121.10126	3.0
123.08057	1.7
123.11678	1.8
125.09572	0.6
127.03905	0.9
127.07539	1.9
128.10699	15.0
131.08548	1.3
133.10114	5.9
135.08031	1.0
135.11674	0.5
144.10197	0.3
145.04991	0.4
145.10158	0.9
146.11739	12.7
147.11708	0.9
149.13231	2.3
151.11189	1.1
153.09123	0.9
158.10797	0.7
163.14775	0.4
167.14333	0.8
173.13205	2.4
186.36078	0.3
188.12788	1.4
191.14340	0.8
196.81995	0.3
218.13850	0.7
227.21533	0.4
230.13918	1.0
248.14886	3.0
253.94801	0.4
254.13931	0.8
264.54227	0.3
272.14893	2.5
281.23938	0.3
290.15945	15.3
308.16983	7.8
339.81601	0.3
442.64212	0.3
474.71973	0.3
489.55872	0.3
498.30505	1.1
516.31622	4.4
534.32690	100.0
535.32947	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01853	0.4
55.05505	10.2
56.25748	0.3
57.03423	1.4
57.07060	0.6
58.06590	2.2
59.04992	2.1
61.02919	0.5
65.03932	0.4
67.05499	3.1
69.03423	3.4
69.07059	2.3
70.06573	1.1
71.04980	3.2
72.08141	4.1
73.02909	1.6
79.05479	2.8
80.35175	0.3
81.03410	2.1
81.07047	6.6
82.06599	0.4
82.43729	0.3
83.04969	6.4
83.08624	2.7
84.08132	33.5
85.02895	7.2
85.06567	2.2
86.06061	0.7
86.09687	0.8
87.04465	2.0
89.06042	0.7
91.05466	2.6
93.07028	4.8
95.04963	6.4
95.08584	3.9
97.02886	2.7
97.06503	2.0
97.10157	0.6
98.06059	0.8
99.04438	4.0
100.07627	0.4
100.11221	1.8
101.02370	0.5
101.06007	19.7
103.03920	1.8
105.07020	4.2
107.04942	2.9
107.08581	7.8
109.02869	2.6
109.06501	4.9
109.10135	4.6
111.04430	1.4
111.08061	0.9
114.09181	0.7
115.08672	0.5
117.07047	0.4
119.04893	0.6
119.08578	2.0
121.10136	6.0
123.08068	1.1
123.11700	2.6
123.61998	0.4
125.05963	0.4
125.09616	0.8
127.03901	2.3
127.07523	1.1
128.10701	22.4
131.08553	1.6
133.10112	7.3
135.08051	1.4
135.11667	0.8
137.05975	0.5
137.09669	0.4
139.11179	0.7
142.08592	0.6
143.08534	0.4
144.10225	0.6
145.02831	0.5
145.04904	0.9
145.10167	1.0
146.11740	16.5
147.04381	2.7
147.11693	1.2
149.09752	0.4
149.13246	2.0
151.11165	2.1
152.07025	0.5
153.09116	1.2
158.10902	0.9
163.14796	0.9
164.66187	0.4
167.07068	0.7
167.14299	2.6
173.13278	2.5
175.03896	0.5
177.05453	0.7
178.04845	0.4
181.08553	0.4
188.12849	1.5
191.14305	1.1
205.04742	0.4
209.15376	2.0
218.13930	1.0
229.65942	0.4
230.13901	1.1
235.14516	0.4
239.73610	0.3
248.14894	2.6
254.13931	1.1
272.14856	5.9
290.15955	33.4
297.15292	0.4
308.17017	11.0
308.20624	0.7
313.11740	0.6
334.84735	0.3
405.17496	1.0
446.26947	1.8
498.30832	2.4
504.31918	0.5
516.31635	18.1
517.31720	0.5
534.32703	100.0
535.33014	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	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28575	0.2
55.05488	0.3
56.05020	0.5
58.06590	0.5
60.07869	0.4
60.08160	5.7
61.02903	0.3
67.05482	0.8
69.03419	0.5
69.07054	0.5
70.06608	0.3
71.07364	2.9
71.62715	0.5
72.08156	0.5
79.05474	0.8
81.03394	0.4
81.07040	1.0
84.08123	0.3
85.02882	0.6
86.09700	27.9
91.05470	0.7
93.07057	0.7
95.08593	0.7
97.02863	0.3
98.98454	2.4
104.10734	3.7
105.07032	0.6
107.08570	0.6
109.02874	0.3
109.10152	0.4
111.04413	0.2
119.08556	0.6
121.02857	0.2
124.99998	18.1
127.03992	0.3
133.10121	0.5
143.01019	0.4
145.10161	0.3
147.04404	0.6
167.07011	0.5
177.05452	0.3
184.07327	100.0
185.07648	0.7
289.08307	0.2
292.15140	0.3
325.07007	0.5
357.49686	0.3
363.08270	0.4
379.11734	0.9
393.13336	0.3
481.11411	0.3
490.31131	0.3
498.29898	1.2
516.30731	6.0
517.31329	0.3
534.21631	0.3
534.33813	0.5
535.23254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01851	0.5
55.05508	3.9
55.93508	1.0
56.05014	0.8
57.03428	0.6
57.07066	0.6
58.06586	0.4
59.04987	0.5
60.04494	0.5
60.05632	1.2
67.05499	1.6
67.54147	0.3
68.05006	1.2
68.45972	0.3
69.03422	4.7
69.07070	1.6
70.05386	1.3
70.06600	1.5
71.04983	2.1
72.08148	4.5
72.59819	0.3
73.02893	0.9
73.06413	0.8
77.63155	0.3
79.05482	1.8
80.05019	0.3
81.03408	1.8
81.07042	4.9
83.04958	1.5
83.06072	1.2
83.08620	2.0
84.04510	0.7
84.08131	4.3
85.02895	4.6
85.06519	0.7
86.06061	18.1
87.04456	13.7
89.10786	0.7
91.05476	2.3
93.07043	2.7
95.04953	3.3
95.08605	2.6
97.02878	2.5
97.06530	2.0
97.10138	0.5
98.06022	0.7
98.09659	1.1
99.04453	2.4
99.08072	0.3
101.06011	2.1
103.03944	0.7
104.07085	1.5
105.07031	2.1
107.04958	0.8
107.08580	4.5
108.04466	1.5
109.02873	3.0
109.06498	3.1
109.10126	2.1
110.07117	0.3
111.05550	3.8
111.08083	0.3
119.04936	0.5
119.08557	1.2
121.02897	0.4
121.10146	3.7
121.81870	0.3
123.08036	1.0
123.11689	1.0
124.11207	1.0
125.09610	0.9
126.05507	0.9
127.03896	4.2
127.07515	1.5
128.07208	0.4
128.08186	8.4
128.10672	2.0
129.05470	2.1
129.06598	1.8
130.05046	0.4
131.08539	1.3
133.10106	4.4
135.08063	0.6
135.11682	0.5
136.07455	0.3
137.05844	0.4
139.11227	0.4
145.04968	0.9
145.10098	0.9
146.08255	0.5
146.09232	13.3
146.11702	2.2
147.04381	3.7
147.11659	1.2
148.04700	0.5
149.13264	1.5
151.03949	0.5
151.11186	0.7
153.06570	1.1
153.09093	0.8
158.10802	0.3
159.06537	0.4
161.05867	0.4
163.03822	0.5
163.14812	0.7
164.07100	0.4
165.12737	0.6
167.07108	0.5
167.14294	0.5
167.59366	0.3
173.13234	1.4
180.04164	0.4
183.98112	0.4
188.10294	4.8
191.08997	0.4
191.14278	0.8
206.10152	0.4
209.15321	0.8
218.11403	3.0
230.11552	1.6
232.98952	0.8
235.14455	0.7
237.08630	0.7
248.12430	6.3
249.99184	1.0
255.09636	0.6
272.12277	1.5
273.10846	0.6
286.75165	0.3
290.13412	10.4
290.16098	2.1
308.14310	6.2
308.17157	0.9
412.38748	0.4
428.21851	0.3
498.28522	0.4
516.29260	2.9
534.30157	100.0
535.30524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29206	0.8
51.28474	1.1
53.03939	4.1
53.60701	1.0
55.01855	1.6
55.05500	3.9
57.03431	3.7
57.07068	1.4
58.06570	1.0
61.02916	2.5
64.92650	0.8
65.03920	1.2
67.05497	4.5
69.03421	14.5
69.07042	3.0
70.06573	1.8
71.04993	9.0
71.45928	0.8
71.62981	1.3
71.63326	1.0
72.08148	5.8
73.02900	1.9
79.05489	3.4
81.03416	14.0
81.07050	10.1
83.04974	4.2
83.08601	2.2
85.02899	76.2
85.06537	3.0
85.82423	0.9
86.03232	1.0
86.08200	1.0
86.09699	1.8
87.04514	1.1
91.05476	5.8
93.07035	6.6
95.04964	6.6
95.08589	4.9
97.02877	16.2
97.06521	3.3
99.04449	41.2
99.05100	2.1
99.08061	1.1
103.03935	99.3
105.07036	8.0
107.04961	2.4
107.08580	7.9
109.02870	15.2
109.06523	11.2
109.10167	6.3
111.04441	1.7
111.08063	1.7
113.05988	1.2
114.54395	0.8
115.03941	0.8
115.07575	1.0
117.03389	1.0
117.07019	1.2
119.04945	3.0
119.08564	4.1
121.02869	2.2
121.06504	2.5
121.10150	8.1
123.04395	4.9
123.08080	3.5
123.11700	2.1
125.05995	1.7
125.09639	2.6
127.03909	100.0
129.05498	1.4
129.07051	1.0
131.04901	4.6
131.08577	6.0
133.10110	16.0
135.04355	1.2
135.08069	4.3
135.11736	1.3
137.05998	4.7
137.09639	1.0
145.04951	65.9
145.10110	2.9
147.04404	10.1
147.08031	1.6
147.11699	7.6
149.05969	1.5
149.09613	1.2
149.13290	2.6
151.07542	2.3
151.11189	1.5
153.05460	2.2
153.09102	5.1
158.10924	1.0
159.08000	1.5
161.06012	1.5
163.06012	72.2
163.07466	4.5
163.11153	1.8
163.14830	1.4
165.05487	1.3
165.12724	2.6
167.07031	10.9
169.04965	1.0
172.05228	1.0
173.13213	9.6
175.07518	2.1
175.14815	1.2
177.05444	1.6
179.07053	1.0
183.02892	0.9
187.06003	5.0
187.07571	3.7
191.14290	16.6
191.15846	1.7
193.08604	1.4
199.07518	2.5
205.06914	5.3
206.04411	1.7
209.07986	1.0
209.15344	21.1
213.05505	2.4
215.07039	1.6
225.14845	1.2
227.16408	14.4
229.04947	1.1
235.02368	1.0
235.09750	1.8
239.07066	1.7
271.08286	5.2
285.07803	1.1
289.09048	4.4
293.07773	1.1
295.06076	1.9
299.05597	1.4
307.06046	2.8
307.10205	13.1
309.04068	2.0
321.11182	1.3
323.12708	1.8
337.07016	1.3
339.12427	1.2
349.07138	1.6
351.08670	2.0
353.10077	3.6
353.13733	2.1
363.05142	1.4
365.10294	1.8
371.11032	3.7
371.15057	2.9
377.10107	1.7
387.17511	1.4
393.06152	2.4
395.11365	1.8
434.11075	1.2
479.13443	1.8
497.14539	3.2
497.23566	2.0
515.16260	1.5
515.25653	0.9
533.15955	1.4
533.29022	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	533.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77104	1.1
55.01859	2.4
55.05499	3.7
57.03423	1.9
57.07064	2.0
58.06583	1.2
59.05002	1.6
65.58334	1.1
67.05495	11.4
69.03087	1.2
69.03433	7.0
69.07056	3.2
69.43694	2.2
69.44093	9.4
70.06590	8.0
71.04990	13.4
72.08150	17.4
73.02894	1.6
79.05482	2.8
81.03403	3.6
81.07056	3.2
83.04962	5.8
84.08138	6.0
85.02892	20.9
85.06538	8.9
86.06056	1.6
86.09686	2.9
87.04430	1.3
87.09229	6.2
89.10744	1.9
91.05439	5.8
93.07053	7.0
95.04960	3.7
95.08596	62.1
97.02889	7.6
97.06551	1.5
97.07629	1.3
98.06013	1.5
98.09680	1.8
99.04430	2.4
100.22157	1.1
101.06007	1.5
101.88801	1.0
103.03931	2.9
105.07001	6.9
107.04919	2.5
107.08580	8.5
109.02847	3.0
109.06527	3.7
109.10146	3.7
111.04386	2.1
113.05997	10.5
115.79906	1.1
117.06927	1.1
118.04115	2.0
119.04949	3.6
119.08569	14.3
121.02882	3.3
121.10123	6.4
123.04440	1.7
123.08053	25.3
123.08929	1.5
123.11671	2.6
127.03905	12.9
129.05476	5.1
131.08507	1.2
133.06490	1.3
133.10118	3.8
135.11667	9.2
137.05989	2.5
137.09648	2.6
145.02899	1.4
145.04959	2.4
147.04401	13.5
147.06502	2.0
147.11682	7.9
149.06053	1.2
149.09601	32.3
151.07587	1.6
151.11215	1.6
151.14865	3.0
153.01801	3.0
153.63158	1.2
161.06114	1.2
161.13263	12.5
163.03918	1.6
163.05992	1.9
163.11183	5.7
165.09073	1.3
165.12688	6.6
167.07002	4.5
170.02121	1.7
171.11607	1.4
177.05464	3.7
179.14314	4.4
182.67494	1.1
189.12732	17.0
207.13785	100.0
208.14191	1.3
209.15364	3.6
218.11707	2.1
225.14838	6.5
227.16335	1.6
241.85205	1.2
269.04407	3.4
270.05167	14.8
270.07870	1.4
271.05728	1.8
283.05911	1.7
285.07550	64.2
286.07870	4.8
290.15750	1.3
295.05948	1.7
297.03757	3.1
299.05475	12.1
371.11185	7.0
533.21356	6.6
533.30640	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	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01872	1.6
55.05502	1.3
56.96556	0.6
57.03425	1.3
57.07060	0.6
59.23695	0.5
61.02911	0.8
65.03932	0.6
67.05476	1.1
69.03432	3.1
69.07060	1.0
70.06579	2.5
71.04991	1.1
71.62614	0.8
71.62998	0.9
72.08164	4.5
73.02895	1.0
77.15324	0.6
78.04710	2.8
79.05488	6.9
81.03422	3.1
81.07046	3.1
83.04984	1.0
83.70086	0.5
85.02899	8.9
85.06514	1.1
86.09697	2.2
91.05470	5.0
93.03404	0.8
93.07033	2.5
95.04967	3.2
95.08610	1.3
97.02879	4.1
97.06533	0.9
99.04441	2.0
101.07172	0.7
103.03953	3.3
103.05460	2.5
105.07025	8.2
106.04174	1.5
107.04957	11.8
107.08579	2.3
109.02853	2.8
109.06503	1.8
109.10136	1.9
111.08097	0.8
115.05437	3.3
117.06992	1.5
118.04152	1.6
119.04948	2.1
119.08602	2.9
121.02882	0.6
121.06502	2.1
121.10130	2.2
123.04438	7.7
124.05183	4.7
125.05968	2.0
125.09633	1.0
127.03912	8.4
128.06218	2.0
129.07004	7.1
129.10262	0.8
130.04198	0.8
131.04900	4.2
131.08603	1.0
132.05685	2.3
133.06471	5.2
133.10130	1.1
134.03622	1.0
135.04407	1.1
135.08084	1.3
135.11650	0.9
137.02347	0.6
137.05989	1.9
137.09550	0.7
140.04657	0.8
141.06923	0.7
144.05685	1.6
145.04968	2.3
145.06485	2.2
145.10112	1.0
146.03581	0.7
147.04393	7.3
147.08037	2.3
147.11693	1.1
148.04773	0.9
149.05960	1.8
151.03908	1.5
151.07494	0.7
152.04671	1.7
153.01808	1.0
153.05434	4.3
155.04887	0.8
155.07033	1.4
157.06467	1.1
159.04405	0.8
159.08049	7.1
159.11569	0.7
160.05197	1.1
161.05978	9.8
161.09636	0.8
163.03891	1.3
163.06096	1.1
163.07486	1.4
167.07033	100.0
168.07361	1.1
171.08061	1.3
172.05180	3.5
173.05923	1.1
173.09666	0.7
173.13205	1.2
175.07533	18.5
175.14917	0.7
176.04654	1.0
177.05447	1.6
178.07709	1.2
179.07056	0.8
181.04988	0.7
184.05173	0.9
185.06018	0.8
187.05885	1.4
187.07526	22.8
189.07101	1.5
189.09125	1.5
190.07762	1.4
191.07011	8.2
191.08560	1.2
191.14316	1.3
193.08565	0.8
199.07497	6.8
201.09068	4.2
202.07741	2.0
203.08582	2.1
205.08516	0.8
205.10190	0.8
206.07253	1.6
207.08144	0.9
209.08102	2.0
209.15379	1.8
215.08624	1.7
217.06648	1.0
217.08606	2.1
218.07294	2.6
219.08041	2.1
221.09570	4.1
223.07475	0.9
227.16455	3.1
231.08041	1.8
232.08817	0.9
233.09679	2.7
234.06720	2.7
235.07545	2.3
243.08003	0.9
246.06795	1.8
247.07536	1.2
249.09084	5.7
250.09859	1.0
251.07100	1.7
259.07593	1.1
260.08170	0.9
261.09149	3.9
263.06967	2.2
265.08563	0.9
266.09232	0.9
267.06464	1.3
267.09961	0.6
269.04428	1.6
270.05185	5.3
271.05841	1.2
274.06104	0.7
277.08502	2.8
278.09332	2.4
279.06454	0.6
281.11710	9.0
283.09518	0.6
285.07550	25.4
286.07996	1.5
289.08618	3.8
290.09302	1.8
291.06699	0.7
291.10172	1.6
292.10696	0.7
293.11624	2.6
294.08792	1.5
295.09665	1.2
306.08875	1.9
307.09613	1.6
309.11179	9.5
310.11954	1.1
311.05438	0.6
311.09225	1.3
321.11176	9.5
322.11923	1.4
323.08917	0.7
326.11484	2.0
327.08710	1.0
341.13815	29.9
342.14139	0.9
353.10025	0.9
353.13849	13.8
353.18161	0.8
371.10886	1.2
371.15179	0.8
391.08389	0.8
413.11517	0.7
447.13135	1.1
489.14209	1.0
521.48022	0.6
533.13062	3.0
533.29663	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	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.07806	0.6
55.01862	1.2
55.36174	0.5
62.01222	0.5
65.03901	0.5
66.19553	0.5
68.40250	0.5
69.03417	1.0
69.81937	3.3
72.20844	0.5
78.04709	2.1
79.05492	7.5
81.03405	1.0
85.02905	2.4
91.05462	3.5
93.03378	0.7
93.70464	0.6
95.04968	2.1
99.04514	0.7
103.05462	2.4
105.07041	6.3
106.04144	1.8
107.04956	12.0
107.08754	0.5
115.05446	3.1
117.06995	1.1
118.04139	0.7
119.04963	0.6
119.08567	2.4
121.02939	0.6
121.06472	0.8
123.04430	5.2
124.05204	4.1
125.05988	1.0
128.06230	2.4
129.07002	6.1
130.04100	0.6
131.04909	3.0
131.08562	1.2
132.05708	2.6
133.06493	5.1
137.05940	1.2
141.07030	0.6
144.05696	1.4
145.06487	1.7
147.04404	1.8
147.08015	2.1
149.05991	1.1
151.03914	1.1
152.04668	2.3
153.05449	2.4
153.06834	0.8
155.04932	1.3
155.07092	0.6
156.05678	1.3
157.06532	0.7
159.08044	6.2
160.05191	1.5
161.05977	8.6
167.07037	100.0
171.08041	1.2
172.05225	3.0
175.06007	1.0
175.07542	21.2
176.04773	0.7
177.05473	1.2
178.07739	0.8
179.06956	1.0
182.17273	0.6
184.05205	1.5
185.05861	0.6
187.07541	20.0
189.07103	1.1
189.09149	1.2
190.07790	2.0
191.07018	8.1
191.08575	0.9
199.07553	8.9
201.07170	0.5
201.09055	0.9
202.07730	1.1
203.08585	2.7
205.06567	0.9
205.08611	0.7
206.07281	2.4
207.08018	1.0
209.08112	2.2
215.08578	1.2
217.06635	0.7
217.08614	1.7
218.07269	3.5
219.08025	2.4
220.08759	1.1
221.09587	3.9
230.07396	0.6
231.08043	1.9
232.08800	1.2
233.09639	3.2
234.06693	2.0
235.07507	2.3
245.06087	0.8
246.06731	1.3
247.07538	1.2
248.08289	1.0
249.09077	4.2
250.09935	1.0
251.06726	1.0
255.06377	0.6
259.07559	0.9
260.08224	1.3
261.09085	3.3
262.10034	0.7
263.07040	1.2
264.07843	0.6
265.08572	0.6
266.09360	1.4
274.06265	0.5
275.07056	1.0
276.07687	0.8
277.08575	3.4
278.09317	1.5
279.06635	0.7
281.11716	7.3
289.08575	4.5
290.09357	2.1
291.06631	0.8
291.10062	1.3
293.08582	0.6
293.11746	2.1
294.08960	0.9
295.09671	0.7
306.08890	1.8
307.09763	0.9
309.11212	9.1
310.11945	0.9
313.14172	0.9
321.11163	8.9
322.11768	1.2
325.14407	1.2
326.11478	2.4
338.11133	0.6
341.13834	23.5
353.13806	14.1
371.14780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
54.10162	0.1
55.05510	0.1
57.03421	0.2
67.05488	0.3
68.99789	0.2
69.03419	0.8
70.06579	0.2
71.04984	0.4
71.43401	0.2
72.08141	0.2
75.46173	0.1
77.50406	0.1
79.05473	0.3
81.03387	0.4
81.07037	0.4
83.04966	0.2
85.02895	1.2
85.06524	0.2
86.09695	0.2
91.05453	0.5
93.07020	0.2
95.04962	0.3
95.08582	0.3
97.02873	0.7
99.04418	0.2
101.05996	0.2
103.03918	0.2
105.07014	0.4
107.04932	0.4
107.08568	0.4
109.02864	0.5
109.06492	0.3
109.10139	0.2
111.08076	0.1
115.05485	0.1
117.06971	0.1
118.04135	1.8
118.04931	0.2
119.04910	0.4
119.08581	0.2
119.53469	0.1
121.02869	0.3
121.10123	0.3
123.04440	0.8
123.08091	0.1
123.11561	0.1
124.01605	0.2
125.02396	0.1
127.03905	1.9
131.04921	0.2
132.98299	0.1
133.06525	0.1
133.10120	0.2
135.04347	0.1
135.08003	0.2
135.11642	0.2
137.02341	0.2
137.05978	0.3
139.03920	0.1
145.04953	0.2
147.04401	0.5
147.11668	0.1
149.05911	0.1
151.03918	0.1
152.01035	0.5
153.01807	2.7
153.05408	0.3
157.06458	0.2
163.03893	0.3
167.03415	0.2
167.07039	0.9
170.02074	1.6
175.07576	0.3
177.05460	0.2
179.07022	0.1
183.02837	0.2
187.07504	0.4
191.07062	0.2
191.14247	0.4
192.07814	0.2
199.07556	0.4
209.15416	0.1
219.06517	0.2
227.06967	0.2
229.08492	0.1
242.05832	0.6
247.14453	0.2
253.04825	0.2
255.06502	5.2
267.06528	0.2
269.01480	0.2
269.04434	6.6
270.05209	22.6
271.05841	0.6
281.11627	0.2
283.05981	1.0
285.07550	100.0
286.07919	0.9
295.06046	0.4
299.05499	0.3
307.06000	0.1
313.07251	0.1
321.11154	0.1
335.09164	0.2
341.14084	0.3
353.10117	1.2
353.14011	0.2
371.11206	1.7
371.15466	0.3
533.16321	1.9
533.23914	0.1
533.33307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1652
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
51.97491	0.3
53.03915	0.8
55.01829	1.2
55.05483	0.6
57.03381	1.7
59.33407	0.3
61.02911	1.6
67.05450	1.1
69.03422	7.3
69.07015	1.0
71.01312	0.3
71.04944	1.0
71.62550	0.6
72.08102	0.4
73.01128	0.3
73.02865	1.2
79.05440	1.2
81.03411	3.2
81.07040	1.7
83.04934	0.4
83.08572	0.4
84.08070	0.8
85.02900	15.3
85.03403	0.5
85.06490	0.9
85.40086	0.3
87.04460	1.4
89.03929	0.3
91.03902	0.8
91.05432	1.2
93.07026	1.7
95.04913	0.9
95.08584	1.5
97.02880	5.1
97.06496	0.4
99.04410	1.2
99.08028	0.4
101.02351	0.4
103.03879	0.6
105.03365	0.3
105.07022	1.5
107.04883	1.0
107.08517	1.2
109.02865	2.4
109.06472	0.4
109.10107	0.8
110.06776	0.2
111.04380	0.4
115.03859	0.4
117.06946	0.5
119.04882	0.7
119.08493	0.9
121.02801	1.0
121.06433	1.0
121.10065	1.0
123.04354	1.3
123.08021	0.4
123.11668	0.5
125.09669	0.3
127.03917	4.4
128.06169	0.6
129.06996	2.0
131.04825	0.6
131.16656	0.3
132.05640	0.4
133.06410	0.5
133.10078	0.7
135.07979	0.5
135.11681	0.3
136.84425	0.3
137.05910	0.8
139.11168	0.3
145.04936	1.5
145.06384	0.6
145.10112	0.4
147.04349	1.0
147.08052	0.3
147.11646	0.5
149.05894	0.6
149.09488	0.4
151.03844	0.9
151.07552	0.5
153.05426	0.4
157.06427	0.9
159.11633	0.5
161.05904	0.8
161.09480	0.3
161.13213	0.4
163.03888	2.2
163.07455	0.9
165.05438	0.6
165.06885	0.3
165.08939	0.3
167.07022	5.8
173.05888	0.7
174.06734	1.8
175.07475	1.2
176.04637	0.5
177.05360	0.9
177.09023	0.7
179.03320	0.3
181.08562	0.4
183.02884	0.5
187.07442	0.5
189.05402	0.4
189.09119	4.2
191.03429	2.3
191.06955	1.2
191.10583	0.4
191.14294	0.4
193.08580	1.7
193.09991	0.3
201.05396	0.5
203.03345	0.4
204.04105	1.3
205.04884	1.2
219.06386	0.8
219.08278	0.3
221.04219	0.5
222.05132	0.7
225.05353	0.5
234.06865	0.3
235.02155	0.3
237.09097	0.4
239.01666	0.3
247.07510	0.4
253.08536	0.9
254.09357	0.5
263.06903	0.3
265.08630	0.9
267.06470	0.6
269.07977	0.5
271.05945	0.9
280.07300	0.5
281.08087	3.8
282.08755	1.1
283.05719	0.4
285.03885	1.4
285.07440	1.2
293.08054	1.5
295.05975	0.7
295.09225	0.4
297.04425	0.5
297.07501	2.3
297.11023	0.7
299.05566	0.7
305.08090	0.4
307.06024	0.4
308.06631	0.9
309.03854	3.3
309.07465	1.5
309.10770	0.3
310.05023	0.3
310.08286	1.0
311.05664	0.6
311.09018	0.6
313.06708	0.6
319.05823	0.5
320.06598	0.5
321.07590	3.1
323.05405	0.7
323.09125	0.9
325.07004	5.1
325.10745	1.1
326.07642	0.4
335.05423	0.4
335.09027	1.2
335.25757	0.4
337.07031	7.4
337.11017	0.5
338.07819	23.9
339.04929	0.7
339.08572	1.2
339.12253	0.4
341.13815	0.4
351.08536	0.9
353.10159	79.6
354.10522	0.8
356.08844	1.3
357.13293	0.4
363.04935	1.1
365.10254	0.6
371.11221	100.0
372.11670	0.5
383.07611	0.5
393.05841	1.5
395.11273	1.7
411.07123	1.1
413.12225	0.8
429.08182	1.8
461.31918	0.5
479.13333	0.3
489.31543	0.6
497.14746	0.7
501.18845	0.4
515.15265	1.0
533.15997	6.8
533.32330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1651
Annotation	Styraxlignolide B
Peak:m/z	Relative Intensity
52.96512	0.7
53.03943	1.7
55.01860	2.8
55.05471	0.8
57.03415	2.4
59.04989	0.9
60.41574	0.7
61.02906	2.8
65.03930	1.4
67.05492	5.0
68.99783	2.6
69.03071	1.2
69.03421	17.1
69.07048	1.4
70.06590	1.2
71.04959	2.2
72.08143	1.6
73.02882	2.3
77.03909	0.8
79.05486	6.2
81.03410	8.5
81.07043	5.9
83.01342	0.9
83.04944	1.0
84.08131	1.5
85.02892	25.8
85.06519	1.3
86.09683	0.9
87.00826	1.4
87.04445	2.4
91.03927	1.3
91.05462	7.2
93.07032	3.3
95.04961	5.2
95.08588	3.9
97.02875	9.7
97.06511	1.4
97.10206	0.8
99.04434	2.2
101.02317	0.9
103.03917	1.5
103.05419	1.2
105.01861	0.8
105.03359	1.9
105.07024	15.5
107.04919	3.0
107.08575	3.8
109.02879	6.5
109.06506	3.0
109.10137	2.9
110.10488	0.8
111.04427	0.9
113.05959	0.7
115.03903	1.5
115.05425	4.3
117.06998	5.5
119.04894	3.5
119.08554	2.5
120.63548	0.6
121.02843	2.8
121.06490	2.0
121.10126	2.4
123.04413	80.7
123.08029	1.7
123.11661	1.0
125.05995	1.9
125.09624	1.1
127.03890	10.6
128.06198	0.7
129.06985	1.0
131.04932	0.8
131.08549	1.4
132.74622	0.6
133.06464	5.0
133.10078	1.7
135.04369	2.3
135.08032	1.0
135.11679	1.3
137.02293	1.2
137.05951	3.7
138.03082	1.0
141.01831	1.3
143.03365	1.3
145.04915	3.8
145.06458	8.6
147.04404	6.6
147.08008	7.2
147.11670	1.3
149.02284	1.0
149.05989	4.1
149.06947	0.7
149.13220	0.9
151.03912	1.1
151.07527	14.4
153.01881	0.8
153.05444	27.4
159.07961	0.8
160.72891	0.7
161.02322	1.8
161.05957	3.2
161.07104	0.8
163.03860	1.7
163.07523	77.2
165.01820	4.3
165.05467	2.8
165.07014	1.0
167.07042	6.2
167.08301	1.1
173.05936	1.2
173.13307	0.9
175.07535	15.4
175.10968	0.7
177.01772	2.0
177.05426	1.7
177.09042	2.7
179.06975	1.2
181.06369	0.7
183.02873	3.4
183.07994	0.8
187.02364	0.8
187.07518	2.2
189.05371	0.8
190.02525	0.8
191.03366	1.0
191.07039	3.9
195.02747	1.1
195.06427	1.0
197.05998	1.1
199.07516	0.8
201.05438	1.5
204.04070	0.8
205.08569	17.0
207.06425	1.0
209.15361	0.9
219.06506	8.0
225.09137	1.0
229.04904	0.9
231.10197	1.0
239.06979	15.1
239.10660	1.7
255.06616	1.4
265.08600	1.0
267.06552	0.7
267.10147	3.9
269.04370	1.3
270.05252	1.0
271.05960	1.3
279.09967	0.7
281.04453	3.0
281.07663	0.8
283.05890	1.2
283.09622	2.4
285.11163	100.0
286.11423	0.8
287.05688	0.7
287.12793	1.3
295.05966	3.7
297.03885	1.8
297.07343	1.0
299.05408	7.9
307.05792	1.0
309.04068	1.0
309.07544	0.7
309.11057	1.5
311.05624	4.3
311.08713	1.3
313.06952	1.2
320.06616	1.0
323.05441	1.7
324.06409	1.0
325.06943	2.1
325.10672	2.0
327.12363	1.7
335.09100	2.9
337.07034	1.7
339.08688	0.8
347.09198	1.3
353.10141	70.8
365.06131	1.1
365.10138	4.7
371.10941	6.3
371.15121	3.2
395.11389	4.1
413.12189	0.8
421.12766	1.0
425.12195	2.8
427.10281	0.8
447.16492	2.0
449.12161	2.0
461.11777	2.3
465.05798	0.7
467.13181	2.7
479.13284	6.5
497.14432	5.0
515.15479	22.1
533.16327	19.4
533.26019	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	533.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03942	1.2
55.01861	1.6
55.05498	0.3
55.84428	0.2
57.03421	0.7
61.02915	0.8
61.92068	0.2
65.03925	0.6
67.05498	2.1
68.99785	1.6
69.03422	5.9
69.07021	0.2
71.01341	0.4
71.04980	1.0
71.62341	0.4
73.02910	1.2
79.05487	3.5
81.02968	0.4
81.03413	5.7
81.07043	1.0
83.55574	0.2
85.02898	6.4
87.00825	3.8
91.05473	6.3
93.07039	1.0
95.04964	4.0
95.08595	0.4
97.02881	2.5
99.04425	1.5
103.03912	0.4
103.05447	1.7
105.01855	1.5
105.02499	0.2
105.03387	0.7
105.07022	12.3
107.04945	1.0
107.08577	0.8
109.02872	3.8
109.06505	0.7
109.10121	0.5
109.70198	0.2
115.05441	4.0
117.01833	0.5
117.07007	4.4
119.04912	1.6
119.08574	0.8
121.06496	1.3
121.10115	0.4
123.04415	66.7
123.07964	1.4
124.04787	0.3
127.03905	3.8
128.06282	0.3
129.01831	0.5
129.06958	0.2
131.04936	0.6
131.08498	0.3
132.05672	0.4
133.05569	0.4
133.06479	4.5
135.04395	1.3
135.08009	0.8
136.05209	0.3
137.05988	1.8
143.08522	0.4
145.04971	0.9
145.06465	7.0
147.03116	0.3
147.04388	4.0
147.08020	5.2
148.05197	0.3
149.05991	3.2
151.07535	9.9
153.06894	0.3
155.05989	0.3
159.02901	1.8
160.05237	0.4
161.05963	2.4
161.07132	0.6
162.06793	0.3
163.03967	1.4
163.07524	74.3
164.07910	0.4
165.05463	1.6
165.06799	0.5
165.09085	0.4
166.12654	0.3
167.07065	0.4
169.08603	0.2
173.07169	0.3
175.07535	13.7
177.05472	0.3
177.09109	0.3
177.70572	0.2
181.10120	0.4
185.05946	0.3
189.05467	0.8
191.06995	0.7
191.08684	0.4
195.08017	0.5
201.05370	0.3
208.08862	0.2
209.07886	0.4
209.09656	0.6
211.11240	0.4
213.05519	0.3
219.08102	0.5
225.09058	0.7
226.17467	0.2
229.04980	0.4
231.06557	0.7
237.09105	0.6
239.10646	1.4
267.10153	4.0
281.11755	0.3
285.11185	100.0
286.11426	1.0
299.12665	1.2
309.11240	2.0
313.10754	0.5
327.12213	2.5
351.12247	0.4
375.12158	0.6
379.11523	0.3
393.13232	0.9
447.16620	1.7
515.20654	0.4
533.16449	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	533.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12651	0.4
53.03926	0.7
55.01860	1.2
57.03431	0.6
58.86438	0.4
59.39852	0.5
65.03947	0.8
67.05506	2.4
68.40183	0.5
68.99825	0.5
69.03426	4.4
69.07043	0.5
71.01360	0.5
73.02888	0.5
79.05494	3.5
81.03413	3.1
81.07049	1.4
85.02897	3.7
86.60931	0.4
87.00819	1.6
91.05472	5.1
93.07018	1.1
95.04960	4.4
95.08568	0.5
97.02868	2.1
98.01528	0.4
98.21514	1.0
103.05448	1.7
105.01826	0.6
105.03369	1.2
105.06374	0.8
105.07024	11.2
107.04906	1.4
107.08594	1.3
109.02856	1.6
109.06543	0.9
109.10117	0.7
115.03944	0.8
115.05450	4.1
117.06995	5.3
119.04926	1.5
119.08574	0.8
121.06500	0.8
123.04420	72.6
123.08021	1.9
127.03908	2.4
133.06479	5.3
135.08052	1.1
135.11662	0.7
137.05980	1.8
143.03354	0.8
145.04877	0.8
145.05284	0.7
145.06474	6.7
147.04408	2.2
147.08032	4.9
149.05972	5.9
151.07533	12.6
157.10172	0.5
161.05959	2.1
161.07121	0.8
163.07530	75.9
165.05441	1.8
165.09201	0.6
175.07542	13.0
184.22023	0.5
187.02425	0.9
191.07021	1.0
195.07962	1.0
219.96150	0.4
225.09108	0.9
237.09094	1.0
239.10567	1.6
255.15996	0.7
267.10077	3.3
285.11194	100.0
286.11615	0.8
287.12704	0.9
309.11050	1.1
327.12271	2.1
447.16443	1.3
447.27151	0.5
533.16357	14.8
533.27405	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	533.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
54.10162	0.1
55.05510	0.1
57.03421	0.2
67.05488	0.3
68.99789	0.2
69.03419	0.8
70.06579	0.2
71.04984	0.4
71.43401	0.2
72.08141	0.2
75.46173	0.1
77.50406	0.1
79.05473	0.3
81.03387	0.4
81.07037	0.4
83.04966	0.2
85.02895	1.2
85.06524	0.2
86.09695	0.2
91.05453	0.5
93.07020	0.2
95.04962	0.3
95.08582	0.3
97.02873	0.7
99.04418	0.2
101.05996	0.2
103.03918	0.2
105.07014	0.4
107.04932	0.4
107.08568	0.4
109.02864	0.5
109.06492	0.3
109.10139	0.2
111.08076	0.1
115.05485	0.1
117.06971	0.1
118.04135	1.8
118.04931	0.2
119.04910	0.4
119.08581	0.2
119.53469	0.1
121.02869	0.3
121.10123	0.3
123.04440	0.8
123.08091	0.1
123.11561	0.1
124.01605	0.2
125.02396	0.1
127.03905	1.9
131.04921	0.2
132.98299	0.1
133.06525	0.1
133.10120	0.2
135.04347	0.1
135.08003	0.2
135.11642	0.2
137.02341	0.2
137.05978	0.3
139.03920	0.1
145.04953	0.2
147.04401	0.5
147.11668	0.1
149.05911	0.1
151.03918	0.1
152.01035	0.5
153.01807	2.7
153.05408	0.3
157.06458	0.2
163.03893	0.3
167.03415	0.2
167.07039	0.9
170.02074	1.6
175.07576	0.3
177.05460	0.2
179.07022	0.1
183.02837	0.2
187.07504	0.4
191.07062	0.2
191.14247	0.4
192.07814	0.2
199.07556	0.4
209.15416	0.1
219.06517	0.2
227.06967	0.2
229.08492	0.1
242.05832	0.6
247.14453	0.2
253.04825	0.2
255.06502	5.2
267.06528	0.2
269.01480	0.2
269.04434	6.6
270.05209	22.6
271.05841	0.6
281.11627	0.2
283.05981	1.0
285.07550	100.0
286.07919	0.9
295.06046	0.4
299.05499	0.3
307.06000	0.1
313.07251	0.1
321.11154	0.1
335.09164	0.2
341.14084	0.3
353.10117	1.2
353.14011	0.2
371.11206	1.7
371.15466	0.3
533.16321	1.9
533.23914	0.1
533.33307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.1
54.00526	0.4
55.01832	1.9
55.05478	1.3
57.03397	0.7
57.07045	0.5
65.65652	0.4
67.05486	2.0
68.99783	0.6
69.03385	1.7
69.07030	1.9
70.06547	1.3
71.04950	0.8
71.63121	0.8
72.08144	2.4
73.95377	0.4
79.05494	2.0
81.03394	2.1
81.07054	4.5
83.04933	1.1
83.08578	0.6
84.08123	0.9
85.02896	4.9
85.06528	2.3
86.09659	0.6
87.04452	0.5
91.05470	2.5
93.07032	2.8
94.07294	0.4
95.04916	1.7
95.08601	2.7
97.02893	2.7
97.03475	0.6
97.06510	1.0
97.10117	0.7
99.04414	1.0
99.08024	0.4
100.88784	0.4
105.03341	0.7
105.07016	2.7
107.01287	1.0
107.04884	1.5
107.08568	2.9
109.02895	2.0
109.06477	1.2
109.10162	2.2
111.04446	0.9
111.08028	0.5
117.03346	0.6
117.06972	0.8
119.04946	8.3
119.08577	2.1
121.02864	12.6
121.06444	1.0
121.10126	2.5
123.00792	2.1
123.04370	1.9
123.08012	0.5
123.11663	1.1
125.02325	0.8
125.05923	1.0
125.09597	0.7
127.03906	3.6
131.04877	0.7
131.08513	1.2
131.12935	0.6
133.02774	0.9
133.06447	0.9
133.10089	0.9
135.00737	0.5
135.04326	0.5
135.08022	0.6
135.11612	1.2
136.11972	0.5
137.05925	1.8
137.13200	0.5
139.03813	0.6
141.01793	1.0
141.05379	0.5
141.07054	0.4
143.08510	0.9
145.02814	1.4
145.06516	0.7
145.10069	1.0
147.04413	3.7
147.11652	1.2
149.02261	0.6
149.05933	0.7
149.09590	0.9
149.13249	0.6
151.03891	0.9
151.07475	1.2
151.11043	0.5
153.01669	0.5
153.05396	0.7
157.10027	0.6
159.04413	0.5
159.11646	0.8
161.02293	1.5
161.05908	1.1
161.13129	0.5
163.03873	1.0
163.07481	1.4
163.11139	1.0
165.05424	1.2
167.03339	0.5
167.07028	5.7
168.07443	0.6
173.02345	0.8
173.13271	0.6
175.03851	0.6
175.07526	1.0
175.14700	0.6
177.05405	0.6
179.03371	0.7
179.06953	0.5
185.05962	0.5
187.03848	0.5
187.07462	0.8
189.01810	1.6
189.09038	0.8
191.03404	0.5
191.06967	0.6
191.10664	1.0
193.01318	0.6
193.08554	1.1
195.02844	0.4
197.05919	0.6
203.17880	0.5
205.01355	0.6
205.04936	0.5
207.02814	1.4
207.10161	0.5
209.00821	11.2
211.02434	0.7
217.01299	0.7
219.02934	0.6
219.06422	0.9
221.00812	1.9
223.02365	2.1
225.05521	0.6
227.01886	6.4
227.12770	0.6
229.01241	0.7
231.02866	1.5
235.02354	9.8
237.03912	0.6
239.01857	2.8
243.06499	0.8
247.02342	4.7
251.07021	0.7
254.05699	0.7
255.06573	0.9
263.01874	0.5
267.06522	0.7
268.06738	0.4
269.04471	1.0
271.05994	6.8
275.01846	0.7
279.06473	0.6
282.05350	0.5
283.06021	1.2
285.07513	2.6
285.10837	0.9
291.06439	0.6
293.04199	0.5
295.05966	1.3
296.03140	0.8
297.03894	3.4
297.07455	1.0
299.05460	1.4
307.06000	2.9
308.06702	0.5
309.03909	100.0
310.04230	2.5
311.05466	1.8
311.08932	0.4
313.07007	1.7
321.03836	0.8
323.05511	6.3
325.07062	2.5
325.10519	0.5
327.04962	8.3
331.05988	2.9
335.05487	16.8
335.09528	0.8
336.05975	0.6
337.06982	3.9
339.04974	24.3
340.05676	0.6
341.06570	0.8
347.05450	9.1
347.09247	0.5
351.04913	2.0
353.06497	4.3
353.10248	2.5
353.13834	1.0
355.08124	0.7
357.06049	6.1
357.67346	0.5
363.04968	28.3
364.05435	1.1
365.06491	10.1
365.10352	0.7
369.06125	0.8
371.11197	9.1
375.04944	6.8
381.05960	4.8
383.07385	0.8
393.06039	53.2
394.06314	1.0
395.11270	1.2
411.07080	26.7
412.07446	1.0
425.11850	0.8
429.08170	63.3
430.08545	1.6
443.31000	0.6
447.09283	3.2
449.12357	0.5
460.31143	0.7
461.12305	0.6
467.13336	1.7
479.13510	1.5
479.32944	0.5
489.31824	0.8
497.14316	1.1
515.15808	0.9
533.16077	1.6
533.29926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1291
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
55.01857	0.3
55.05495	0.5
56.28441	0.1
56.40115	0.1
57.03428	0.3
57.07055	0.1
60.28315	0.1
61.02913	0.3
65.03931	0.2
67.05497	0.8
69.01309	0.1
69.03415	0.7
69.07045	0.6
70.04070	0.4
70.06575	0.3
70.23286	0.4
70.23684	0.3
71.05003	0.1
72.08128	0.5
79.05482	0.6
81.03423	0.6
81.07059	1.5
82.07364	0.2
83.04978	0.3
83.08594	0.2
84.08121	0.4
85.02904	1.3
85.06546	0.6
86.09673	0.2
87.04417	0.1
89.03921	0.1
91.05471	0.6
93.07037	0.8
95.04951	0.5
95.08589	1.0
96.08934	0.2
97.02900	0.9
97.06513	0.3
97.10155	0.1
99.04449	0.3
99.08080	0.2
103.05496	0.3
105.03402	0.3
105.07023	0.8
107.04978	1.0
107.08580	0.8
108.08101	0.1
108.08914	0.1
109.02864	0.5
109.06500	0.4
109.10142	0.7
110.10483	0.2
111.04463	0.2
111.08070	0.2
112.07539	0.2
115.05424	0.2
117.06974	0.2
118.04119	0.4
119.04945	0.6
119.08583	0.4
121.02847	0.9
121.06504	0.5
121.10126	0.6
123.00779	0.6
123.04419	1.6
123.08057	0.3
123.11657	0.3
124.01556	0.3
125.02318	0.1
125.05960	0.3
126.88432	0.1
127.03909	1.0
129.07002	0.2
131.04930	0.3
131.08569	0.2
131.12877	0.2
133.02806	0.2
133.06482	0.5
133.10092	0.2
135.04405	0.2
135.08049	0.3
135.11636	0.3
137.05948	0.6
137.13245	0.2
138.05457	0.2
141.06946	0.2
145.02829	0.2
145.04898	0.2
145.10074	0.3
147.04395	1.5
147.07875	0.1
147.11673	0.4
148.70558	0.1
149.02379	0.2
149.05998	0.2
149.13278	0.2
151.03893	0.2
151.07516	0.3
152.01039	2.6
152.06195	0.2
153.01796	0.9
153.05341	0.2
153.06937	0.3
155.08551	0.2
156.12598	0.1
157.06387	0.2
158.07220	0.2
159.04381	0.1
159.08025	0.2
161.05942	0.1
163.03923	0.3
163.11092	0.3
165.05524	0.2
165.06836	0.1
167.07039	1.6
167.10620	0.2
168.05693	1.0
169.06454	0.2
170.00624	0.2
170.02095	3.8
175.07597	0.2
175.14864	0.2
177.05473	0.2
180.05637	0.2
181.04985	0.2
181.06454	0.3
183.06468	0.3
183.08035	3.6
186.06746	0.3
187.03995	0.1
187.07515	0.2
189.09158	0.2
189.12747	0.1
191.07095	0.2
191.10643	0.2
191.14317	0.2
193.08600	0.2
196.05197	0.9
197.05988	0.4
198.06680	0.2
199.07501	0.2
209.00806	0.5
211.07542	3.7
211.09450	0.3
213.05525	0.4
214.06233	0.6
215.10670	0.1
221.00833	0.2
225.05344	0.2
229.08585	8.2
235.02264	0.4
239.01828	0.2
239.06999	1.9
241.04926	0.3
242.05740	1.4
247.02351	0.4
253.04893	1.2
257.08246	0.2
269.04355	1.5
270.05194	2.1
271.06036	1.7
285.07553	100.0
286.07913	1.3
295.06009	0.3
299.05298	0.4
309.03928	2.4
310.04495	0.1
311.05478	0.3
311.08984	0.2
313.07010	0.4
323.05450	0.5
327.05011	0.7
335.05502	0.8
335.09003	0.2
335.25812	0.2
337.06812	0.4
338.07385	0.2
339.05042	0.7
347.05566	0.6
347.09293	0.2
351.08566	0.3
353.10098	2.8
353.14124	0.1
363.04858	1.2
365.06232	0.3
365.10199	0.5
369.09644	0.4
370.03564	0.1
370.09821	0.6
371.03864	0.2
371.10458	1.5
371.14612	0.2
375.05038	0.7
384.19693	0.1
393.05975	2.4
411.06760	0.1
429.07965	0.2
460.31448	0.2
461.12579	0.2
461.32062	0.2
467.09781	0.5
479.13632	0.3
497.14047	0.7
501.55957	0.1
515.15900	0.6
533.14056	0.4
533.30530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1287
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.03935	0.1
55.01864	0.1
57.02578	0.1
61.58845	0.1
68.99777	0.2
69.03419	0.2
69.41493	0.5
69.41904	0.1
78.04674	0.1
79.05482	0.2
81.03401	0.3
81.07038	0.2
85.02892	0.4
91.05450	0.2
93.07031	0.1
95.04967	0.1
95.08579	0.1
95.75997	0.1
97.02878	0.1
98.21497	0.1
99.31886	0.1
103.05466	0.2
104.46747	0.1
105.01806	0.1
105.07027	0.3
107.04950	0.4
107.08557	0.1
109.02863	0.3
109.06491	0.1
111.00793	0.2
118.04155	0.9
119.04957	0.1
121.02861	0.3
121.06487	0.1
123.04433	2.4
124.01549	0.7
127.03947	0.4
131.04916	0.1
133.06494	0.4
135.04420	0.1
139.03879	0.2
141.06953	0.1
145.04970	0.1
145.06418	0.1
147.02135	0.1
147.04417	0.2
149.01146	0.1
149.02333	2.1
152.01019	1.2
153.01810	1.3
158.03673	0.5
159.02881	0.1
159.08018	0.1
161.09648	0.1
163.03931	0.2
163.07533	0.2
167.03445	0.1
167.06992	0.2
168.05679	0.1
170.02094	4.1
173.05962	0.1
173.65654	0.1
179.03366	0.6
183.08009	0.1
185.05901	0.1
186.06839	0.1
187.07562	0.2
197.05962	0.5
201.05463	0.2
201.09030	0.2
211.07539	0.1
213.05450	1.1
214.06235	0.3
215.06917	0.1
225.05437	0.2
229.08574	3.7
230.09012	0.1
231.05077	0.1
239.07007	0.2
241.04964	0.4
242.05727	3.0
252.04152	0.6
253.04938	2.7
253.09027	0.1
254.05476	0.1
254.25795	0.1
255.06485	0.1
257.08014	0.4
269.04428	2.5
270.05209	5.8
284.06863	0.1
285.07550	100.0
286.07898	1.3
323.06012	0.1
341.13980	0.1
369.25873	0.1
371.11011	0.1
371.14957	0.1
447.12527	0.4
533.12805	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01871	1.1
55.05500	2.4
56.05031	6.2
57.03425	3.1
57.75114	0.6
58.06587	1.4
67.05471	1.6
69.03413	3.9
69.07053	2.0
69.12197	0.6
69.36579	1.4
69.36976	6.7
70.06590	6.4
70.75418	0.6
71.04990	1.2
72.04515	0.8
72.08144	2.0
74.06075	100.0
79.05505	1.6
81.03416	5.4
81.07029	3.2
83.04990	1.4
83.08635	1.8
84.04501	4.5
84.08139	2.0
85.02905	6.7
86.06071	3.6
86.09697	3.6
86.64214	0.6
87.04420	0.8
91.05482	3.3
93.07026	1.5
95.04940	3.2
95.08611	1.5
97.02888	5.7
97.06522	0.7
98.05407	1.3
98.06048	23.9
98.09682	0.7
99.04460	2.7
101.05997	0.7
102.05538	13.4
105.07040	2.9
106.04284	0.6
107.04948	1.2
107.08587	3.7
109.02870	7.4
109.06516	4.1
109.10168	0.9
109.69959	0.6
111.04474	0.7
114.05521	1.7
116.07085	51.6
119.04931	1.1
119.08594	1.7
120.06572	42.6
121.02885	1.4
121.06512	0.9
121.10154	2.9
123.04448	1.8
123.08055	2.3
123.11695	1.7
125.02330	0.7
126.05524	1.2
127.03917	9.1
131.04890	1.1
133.10126	1.5
135.08092	0.9
135.11646	0.9
136.07599	0.9
137.06000	1.3
137.13298	0.7
144.06549	70.1
145.04944	1.9
145.10153	0.7
147.04428	2.9
147.11633	1.6
149.09528	0.7
149.13376	0.7
152.07033	1.0
153.05484	0.7
153.09061	1.1
162.07613	27.3
163.07555	1.4
164.07080	2.4
165.12761	1.6
167.06947	0.8
173.13312	0.9
175.03938	0.7
182.08214	2.1
186.07628	1.5
191.14299	5.7
204.08690	1.4
207.13832	1.1
209.15410	2.6
210.07655	3.4
228.08740	3.4
240.08755	1.1
246.09743	1.6
252.08768	2.9
258.09924	1.0
264.10925	1.3
270.05280	1.0
270.09723	17.9
270.12497	1.1
285.07486	3.8
288.10760	24.3
288.13834	1.3
295.06107	1.1
301.06870	0.8
306.11792	28.2
323.05630	1.1
365.06415	0.7
371.11423	0.8
377.10294	1.3
388.04196	2.4
405.05295	0.8
444.19147	0.7
472.06305	0.7
476.05649	0.8
478.15143	0.8
478.24380	1.1
490.07510	2.1
496.16254	1.2
496.25238	1.0
514.16357	3.2
514.26770	1.4
532.17896	1.9
532.31073	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01870	6.6
55.05504	25.2
57.03424	5.9
57.07063	4.7
59.04995	4.6
61.02911	5.1
62.82454	1.7
67.05494	4.5
69.03429	22.6
69.07059	38.7
69.32421	1.8
71.04978	6.1
71.61684	3.2
73.02914	5.8
79.05482	5.4
81.03415	30.1
81.07037	6.2
83.04978	20.1
83.08625	12.4
85.02898	53.0
87.00834	15.9
89.82454	1.9
91.03950	3.4
91.05463	2.8
93.07019	4.6
95.04958	3.2
95.08613	6.4
97.02882	16.4
99.04453	11.2
101.06010	40.0
103.99168	2.0
105.01861	14.9
105.07030	4.0
107.04945	2.6
107.08571	3.5
109.02864	27.5
109.10149	7.4
111.04439	27.3
117.01823	4.7
119.08550	2.8
121.06530	2.7
121.10125	4.2
123.04428	5.4
123.11649	2.8
125.13268	8.3
127.03905	45.1
129.01852	3.3
129.05473	32.8
131.08524	2.1
133.10069	3.3
137.06015	2.6
145.04964	16.8
145.10213	2.6
147.02940	4.1
147.04416	4.0
147.06519	33.6
149.13271	5.0
151.11169	2.2
153.05547	2.6
159.02866	20.1
159.11621	2.8
195.13754	2.1
207.06557	2.8
209.15353	2.2
231.05022	7.6
265.21622	36.9
283.22668	100.0
295.09830	2.4
298.04736	2.7
313.06979	13.1
369.13297	10.1
439.83575	2.3
509.71942	2.2
531.21014	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	531.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40197	1.7
53.03932	2.8
55.01857	3.3
55.05515	5.8
56.05018	2.9
57.03427	4.6
57.07062	3.3
59.04992	4.0
61.02918	3.7
67.05500	14.9
69.03428	21.5
69.06712	1.9
69.07069	3.9
69.40004	5.9
69.40424	13.1
69.71094	2.1
70.06584	9.1
71.04978	9.1
72.08149	18.4
72.30914	1.8
73.02887	2.9
79.05491	6.8
81.03408	13.9
81.07045	9.6
83.04977	6.3
84.04501	3.7
84.08131	7.9
85.02897	64.6
85.06543	10.2
86.06047	2.4
86.09702	8.1
89.10757	2.1
91.05491	7.4
92.99736	1.7
93.07040	11.6
95.04966	5.9
95.08601	55.0
96.08164	2.3
97.02883	25.2
98.06050	1.8
99.04445	37.3
101.06043	1.7
103.03935	74.8
103.05447	2.2
105.07002	10.2
107.04944	5.3
107.08593	11.6
109.02876	18.3
109.06526	6.9
109.10147	6.2
111.04420	3.0
111.08124	1.9
113.05990	7.8
114.10307	2.3
115.08648	1.8
117.07067	2.4
119.04960	4.1
119.08596	15.2
121.02883	6.6
121.06517	5.3
121.10119	11.0
123.04400	4.6
123.08071	25.7
123.11665	2.9
124.07658	2.5
125.09622	3.1
127.03905	92.1
129.10165	1.8
131.08543	4.1
133.06520	3.9
133.10146	7.0
135.08102	4.4
135.11691	12.7
137.05942	3.2
137.09637	6.3
140.07114	2.2
144.95486	2.1
145.02917	3.2
145.04938	49.4
145.10092	3.7
147.04407	19.0
147.08034	3.3
147.11719	9.7
148.04710	3.6
149.09604	54.1
149.91312	1.8
151.07552	4.8
151.14856	2.2
152.07034	2.8
159.11734	2.1
161.05957	2.8
161.13222	10.1
163.03920	3.2
163.05995	56.0
163.07376	3.2
163.11208	6.6
165.12712	4.7
167.07047	6.3
171.11671	5.2
174.10455	2.2
175.03877	2.4
175.07596	2.3
175.14809	2.0
177.05396	2.9
179.14301	3.5
187.06078	6.7
189.12718	22.6
205.07085	4.7
207.06416	4.8
207.13779	100.0
208.88773	1.8
209.11743	1.9
225.15010	2.7
234.65216	2.2
256.15668	2.1
257.04294	2.1
271.08130	8.2
289.09122	5.0
295.06088	5.8
307.06070	6.0
307.10208	11.1
308.06467	4.4
321.07565	4.0
322.08273	2.5
325.07037	5.0
326.14267	1.9
337.07080	3.7
339.08682	2.0
345.02866	8.3
351.08646	4.2
363.03860	10.0
363.08224	2.7
369.09677	3.0
391.07739	3.3
393.15271	3.4
409.09161	2.6
411.16553	3.5
445.17343	2.9
451.10443	2.1
465.12323	2.3
469.11386	3.0
477.11420	2.6
495.12775	8.1
513.12604	2.7
513.19971	15.2
514.19116	2.4
531.19067	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1858
Annotation	Icariside I
Peak:m/z	Relative Intensity
53.03913	0.3
55.01841	0.3
55.05511	1.0
57.03396	0.6
57.07031	0.4
59.04966	0.2
60.13340	0.1
61.02896	0.2
67.05495	1.8
68.54752	0.1
69.03417	1.4
69.07053	1.5
69.74954	1.1
70.04024	0.5
71.04944	0.5
71.08583	0.2
72.08104	0.3
78.44520	0.2
79.05482	1.5
81.03367	0.7
81.07046	4.5
83.01303	0.2
83.04963	0.8
83.08568	0.4
83.99927	0.1
84.08125	0.2
85.02433	0.1
85.02890	2.2
85.06535	1.8
87.04422	0.2
91.05473	1.1
93.06467	0.2
93.07029	3.0
95.04958	0.8
95.08595	3.9
97.02889	1.1
97.06477	0.6
97.10122	0.3
98.20773	0.2
99.04413	0.3
99.08058	0.4
105.03335	0.3
105.07021	2.0
107.04919	0.3
107.07982	0.2
107.08582	2.2
109.02812	0.6
109.06499	0.8
109.10140	2.1
111.04418	0.9
111.08029	0.3
113.05966	0.3
115.03912	0.2
117.03321	0.2
117.06955	0.3
119.04892	0.5
119.08568	1.3
121.02847	0.2
121.06444	0.5
121.10124	1.8
123.04363	0.7
123.08044	0.8
123.11675	1.1
125.05944	0.3
125.09563	0.6
125.13211	0.1
127.03889	1.4
129.05513	0.3
131.08514	0.4
133.06476	0.3
133.10103	1.2
134.03606	0.8
135.04382	0.3
135.08020	0.4
135.11667	1.6
137.05940	0.9
137.09605	0.3
137.13181	0.5
139.03871	0.4
139.07446	0.7
141.05461	0.2
143.08437	0.2
145.10056	0.7
147.04375	0.7
147.08009	0.2
147.11690	1.1
149.05960	0.3
149.09535	0.3
149.13199	0.8
151.03882	0.4
151.07469	0.7
151.11139	0.2
153.01732	0.3
153.05424	1.1
153.09087	0.2
153.12633	0.2
155.06924	0.3
155.08510	0.2
157.10054	0.2
159.07950	0.2
159.11665	0.7
159.25819	0.1
161.05942	0.4
161.09589	0.4
161.13257	0.4
163.03848	0.3
163.07529	0.3
163.11087	0.3
163.14777	0.3
165.01794	0.4
165.05466	1.7
165.09041	0.4
165.12721	0.3
167.07010	2.0
171.06534	0.8
171.07819	0.2
173.13184	0.4
175.03929	0.4
175.11163	0.3
175.14790	0.3
177.05414	0.2
177.09077	0.2
179.07022	0.6
179.10658	0.4
181.08481	0.3
181.12233	0.3
183.02809	0.5
183.06442	0.5
187.07547	0.2
189.05418	0.2
189.09081	0.2
189.12692	0.3
189.16336	0.4
191.10623	0.6
191.17917	0.5
193.08530	0.4
197.05974	0.2
199.14754	0.2
201.12698	0.2
201.16313	0.2
203.10561	0.3
203.17923	0.3
205.08557	0.2
205.12169	0.4
207.06459	0.7
207.10110	0.5
207.13818	0.4
209.11649	0.4
213.05418	0.2
214.06154	0.3
217.12186	0.3
221.04295	0.2
221.11739	0.2
225.05490	0.2
225.11171	0.3
237.14737	0.5
239.12723	0.3
239.19910	0.2
241.04895	1.4
242.05685	0.6
245.11412	0.2
253.05042	0.4
255.06566	0.7
263.12750	0.3
269.04391	0.6
270.05231	2.5
271.05951	0.2
281.04306	0.4
283.05972	0.6
285.07642	0.2
291.15805	0.2
295.05936	0.3
297.03900	0.4
298.04675	34.3
299.05154	0.5
309.07330	0.3
310.04749	0.2
313.07004	100.0
314.07312	1.2
321.07672	0.2
325.07013	0.5
333.20465	0.2
337.06946	0.3
351.08545	0.5
355.08157	0.2
367.07898	0.2
369.13312	29.4
370.13632	0.5
375.25269	0.3
393.26483	0.3
399.20328	0.6
415.28079	0.4
421.25900	0.3
423.28766	0.4
429.29794	0.2
433.29303	0.3
441.30002	1.6
459.31107	2.2
475.12308	4.8
477.32254	1.5
478.00293	0.2
495.33157	0.6
531.18585	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	531.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
57.03435	0.1
58.38712	0.1
67.05450	0.2
69.03394	0.4
69.07052	0.2
69.43701	0.8
71.04951	0.3
78.04695	0.1
79.05451	0.1
81.03397	0.2
81.07017	0.3
85.02901	0.9
91.05453	0.1
93.07015	0.1
95.04990	0.1
95.08557	0.3
96.30969	0.1
97.02837	0.3
97.06510	0.2
99.04442	0.1
102.36851	0.1
105.06992	0.2
106.04130	0.1
107.08530	0.2
109.02870	0.1
109.10120	0.2
117.03345	0.3
119.04891	0.2
119.08537	0.1
121.10123	0.1
123.04417	0.6
123.11650	0.1
127.03877	0.2
129.05507	0.1
133.02731	0.1
133.10080	0.1
134.03632	0.8
135.04364	0.3
135.11603	0.1
137.02280	0.1
137.13234	0.1
141.01814	0.1
147.11597	0.1
149.05963	0.2
151.03851	0.1
153.01758	0.3
163.03819	0.1
163.07524	0.2
165.01826	0.7
167.07048	0.1
177.16330	0.1
179.03363	0.1
183.02875	0.4
191.03365	0.1
193.05008	0.1
195.02864	0.8
203.03455	0.1
207.06406	0.1
207.83562	0.1
213.05440	0.3
214.06177	0.4
217.04834	0.1
219.02910	0.3
221.04205	0.1
225.05330	0.2
237.02609	0.2
241.04922	1.5
242.05698	0.5
243.02992	0.1
245.04311	0.4
253.05031	0.2
263.05463	0.5
269.04291	0.4
270.05237	2.8
279.03815	0.2
281.04141	0.2
285.07492	0.3
297.04016	0.3
298.04697	34.5
299.05341	0.8
310.04642	0.1
313.07019	100.0
314.07339	1.0
325.07059	0.8
351.08572	0.5
351.12421	0.3
369.13312	28.8
370.13693	0.3
381.13446	0.2
385.13058	0.2
409.12927	0.1
421.08997	0.1
450.83972	0.1
451.13562	0.1
477.15921	0.2
481.08875	0.4
531.18939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1858
Annotation	Icariside I
Peak:m/z	Relative Intensity
53.08173	0.1
67.05477	0.2
69.03389	0.2
69.07047	0.2
69.58618	0.3
69.59042	0.6
73.71970	0.1
79.05460	0.1
80.15674	0.1
81.07024	0.4
85.02892	0.6
91.05439	0.2
91.54926	0.1
93.07034	0.2
95.04936	0.1
95.08592	0.5
97.02850	0.3
98.97550	0.1
105.06989	0.2
107.08591	0.2
108.96972	0.1
109.10099	0.3
117.03331	0.3
119.08538	0.2
121.10081	0.2
123.04380	0.4
134.03595	0.8
135.11621	0.2
137.13171	0.1
147.04326	0.2
149.13197	0.1
151.03888	0.2
159.11580	0.1
165.01794	0.4
165.57050	0.1
183.02849	0.4
186.06940	0.1
195.02805	0.2
213.05453	0.3
214.06218	0.4
219.01628	0.2
225.05482	0.1
237.02724	0.5
241.04915	1.4
241.07184	0.2
242.05746	0.7
246.52226	0.1
253.04852	0.2
260.04272	0.1
263.05490	0.1
269.04416	0.3
270.05188	2.7
270.07901	0.2
279.03833	0.4
281.04355	0.2
285.07468	0.2
297.03763	0.5
298.04684	33.3
299.05185	0.4
310.04611	0.1
313.07010	100.0
314.07449	0.9
325.06915	0.5
327.08600	0.1
351.08453	0.2
351.12274	0.6
358.13092	0.1
369.13290	31.4
370.13565	0.3
380.50327	0.1
381.13153	0.2
455.58212	0.1
481.08698	0.5
531.18829	0.6
541.10663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1858
Annotation	Icariside I
Peak:m/z	Relative Intensity
50.02261	0.5
51.51793	0.7
53.03937	1.7
55.01860	1.2
55.05491	1.2
57.03418	1.5
61.02910	0.7
64.32262	0.6
65.03923	0.7
67.05491	2.5
68.99780	1.7
69.03426	5.1
69.07054	1.8
70.76151	2.0
71.01336	3.5
71.04987	0.8
73.02911	1.5
77.03920	0.7
79.05482	4.2
81.03411	4.4
81.07053	5.5
83.08607	0.7
85.02898	6.5
85.06519	0.9
89.02349	0.7
91.05479	6.5
93.07037	3.6
95.04965	3.7
95.08593	2.5
97.02880	2.7
99.04457	1.3
100.85049	0.6
103.05457	3.8
105.07025	11.2
107.04968	2.7
107.08582	2.2
109.02882	3.5
109.06525	1.5
109.10150	1.9
115.05424	1.4
117.07012	2.3
119.04940	1.3
119.08562	2.9
121.06482	4.3
121.10149	1.1
122.10537	0.7
123.04418	62.3
123.11675	0.6
127.03902	6.2
128.06207	1.4
129.06975	2.2
131.04913	1.2
131.08533	1.4
132.05698	0.8
133.06502	2.0
133.10088	0.7
135.04417	0.8
135.08054	5.3
135.11693	0.9
137.05977	2.5
143.08560	0.7
144.05663	0.8
145.04932	2.2
145.06509	1.7
145.10172	0.8
146.07224	1.4
147.04356	3.6
147.08060	0.9
149.04767	1.1
149.05965	22.4
149.09612	2.3
149.13190	0.7
150.06627	0.9
151.07536	1.4
160.05222	1.1
161.05986	2.0
161.09613	5.8
162.06760	5.1
163.07532	52.5
165.05457	1.1
165.09042	2.9
167.07079	1.0
174.06787	4.0
175.07626	1.1
177.09093	72.1
178.09552	1.1
181.08638	1.4
187.07578	0.8
189.05472	0.8
189.09091	11.6
207.06506	1.5
281.08054	0.9
281.11679	1.0
284.10623	1.0
285.11655	0.7
298.04800	1.5
299.12753	56.8
309.07520	11.0
313.06958	4.1
323.12781	1.4
325.07117	1.3
327.08795	0.9
327.12421	0.9
341.13794	3.0
351.12515	1.1
367.11526	0.7
369.13083	2.0
407.15045	1.5
461.18112	2.1
495.16501	1.7
513.13879	2.4
531.18628	100.0
532.18842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1853
Annotation	Isoswertisin 3''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
53.03949	1.6
55.01855	1.2
55.05507	0.7
56.96548	0.7
64.94335	0.7
65.03926	0.6
65.62627	0.5
67.05493	2.9
68.99783	2.3
69.03423	7.1
69.07037	0.8
70.96413	1.4
71.01339	3.8
72.08158	0.9
73.02908	1.5
79.05502	4.8
81.03413	4.4
81.07034	4.1
82.08363	0.6
85.02899	6.6
89.02376	1.1
89.03888	0.7
91.05476	5.9
93.07027	2.4
95.04964	4.5
95.08606	1.3
97.02872	3.3
99.04440	1.2
99.14511	0.7
103.05466	4.1
105.07026	9.6
105.07673	1.0
107.04952	2.1
107.08590	2.1
109.02889	3.7
109.06510	1.8
109.10173	1.1
115.05438	0.8
117.07026	2.8
119.04953	0.9
119.08586	2.6
121.06514	4.1
121.10189	0.9
123.04420	56.1
124.94318	0.6
127.03893	4.4
128.06218	1.1
129.07024	1.7
131.04897	1.0
131.08575	1.3
132.05664	0.8
133.06546	1.3
135.04407	1.2
135.08044	5.0
137.05977	1.4
137.09593	0.7
144.05701	0.7
145.04924	0.8
145.06505	1.8
146.07310	0.9
147.04381	3.1
147.08029	1.6
149.05971	21.1
149.09700	1.5
151.07498	0.8
159.08086	0.7
160.05202	0.7
161.06035	3.0
161.09595	5.4
162.06750	4.7
163.07529	52.2
165.05548	1.2
165.09106	3.1
167.07045	1.9
173.06013	1.1
174.06778	3.5
177.09099	68.4
181.08601	2.0
189.09102	11.0
189.39583	0.6
195.02930	0.9
215.05577	0.7
226.99815	0.7
265.04913	0.9
272.05725	0.9
279.06622	2.1
281.11716	1.1
284.10385	1.2
285.11340	0.9
295.05988	9.3
297.07587	1.0
298.04825	2.0
299.12750	55.0
307.05942	0.9
313.06995	5.7
323.12872	1.9
325.07214	1.7
327.12271	1.2
341.14011	2.1
345.12946	0.8
351.12372	0.8
365.13873	1.2
369.13348	3.4
393.13251	1.2
407.14917	1.9
411.14392	2.9
425.15689	0.7
443.17459	1.0
457.11523	2.5
461.18259	2.0
495.16608	1.1
508.74213	0.6
513.17511	4.7
531.18640	100.0
531.66101	2.1
532.19177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.186
Annotation	Icariside I
Peak:m/z	Relative Intensity
53.03945	0.4
55.05506	0.4
57.03442	0.6
61.02925	0.6
67.05511	0.7
69.03423	2.0
69.07065	0.5
71.62613	0.3
72.08155	0.5
73.02922	0.4
76.35303	0.2
78.85753	0.2
79.05502	0.5
81.03429	0.9
81.07064	0.8
83.05032	0.3
85.02897	4.5
85.06571	0.3
87.04472	0.3
91.03999	0.2
91.05489	0.5
93.07043	0.6
95.04962	0.4
95.08573	1.0
97.02898	2.0
97.06496	0.2
99.04453	0.4
103.05441	0.2
105.07024	0.5
106.04169	0.3
107.08591	0.6
109.02895	0.5
109.10152	0.5
115.03895	0.3
119.04943	0.2
119.08580	0.4
121.10160	0.3
123.04433	0.6
123.11864	0.3
127.03886	1.9
133.10124	0.3
134.03644	0.7
135.08035	0.4
139.03906	0.2
145.04979	0.4
147.04433	0.7
147.11624	0.3
149.06024	0.3
149.13278	0.3
151.03909	0.3
163.07510	0.5
165.01828	0.5
167.07059	0.5
177.09058	0.5
183.02917	0.7
189.09088	0.3
189.16331	0.2
195.06506	0.2
207.06573	0.4
214.06209	0.4
220.17538	0.2
241.04851	1.6
242.05751	0.7
253.04965	0.4
269.04355	0.6
270.05194	2.6
281.04541	0.3
285.07443	0.3
295.05896	0.3
297.03979	0.5
297.07532	0.5
298.04700	36.1
299.05240	0.2
299.12781	0.4
311.05344	0.2
313.07028	100.0
314.07361	0.9
325.07016	0.4
337.07181	0.3
339.08743	0.2
351.12384	0.3
355.08032	0.5
369.13327	14.6
378.51923	0.2
436.09525	0.3
475.12341	13.5
531.18677	5.7
531.27081	0.4
531.29456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1494
Annotation	CHEBI:85149
Peak:m/z	Relative Intensity
50.82040	0.4
51.02367	0.6
53.03940	3.4
55.01867	2.2
55.05513	2.2
57.03427	4.0
57.07068	1.3
59.04995	0.5
61.02919	3.5
67.05494	3.6
68.25500	0.4
69.03421	15.0
69.07066	2.8
70.04070	78.3
70.06585	0.5
71.01346	0.7
71.03783	3.3
71.04396	7.5
71.04990	2.2
72.08147	0.8
73.02916	2.4
73.06591	0.5
77.03929	0.7
79.05489	3.3
81.03414	4.5
81.03856	0.6
81.07050	8.3
83.01364	0.6
83.04961	1.2
83.08629	1.0
85.02897	25.5
85.06541	3.4
86.03225	0.6
86.09712	0.5
87.04470	2.2
89.22773	0.4
91.03965	0.9
91.05460	2.7
93.07032	4.7
95.04964	8.3
95.05548	0.6
95.08601	6.0
97.02882	8.3
97.06533	1.4
97.10162	0.9
98.03215	0.5
98.20770	0.7
99.04449	2.9
99.08053	0.7
101.02385	0.8
105.03379	38.4
105.04533	1.0
105.07027	4.0
106.23633	0.4
107.04945	1.1
107.08579	4.9
109.02856	3.8
109.06525	1.8
109.10142	4.8
111.04446	1.8
111.08098	1.0
113.05959	0.5
115.03935	0.5
117.07005	0.6
118.04137	0.6
119.04934	1.3
119.08577	2.6
121.02831	1.0
121.06500	1.4
121.10133	3.9
123.04417	2.2
123.08067	1.7
123.11649	2.5
125.05985	1.1
125.09605	1.0
127.03915	7.2
129.05440	0.8
129.06964	0.7
131.04935	0.8
131.08551	1.3
133.02856	0.7
133.06485	0.8
133.10100	2.1
134.03593	0.8
135.04430	1.3
135.08066	0.8
135.11696	2.4
137.05984	2.5
137.09561	0.8
137.13261	1.0
139.03847	1.0
139.07555	1.1
143.08627	0.6
145.02823	0.5
145.04985	2.3
145.06445	0.7
145.10130	2.0
146.03572	0.5
147.04398	1.8
147.11691	1.7
149.06026	1.2
149.09586	0.8
149.13286	1.5
151.03915	0.6
151.07545	1.6
151.11185	0.6
153.01776	0.9
153.05469	1.3
155.07021	0.8
157.06551	0.6
157.10182	0.8
159.11685	1.2
161.02344	2.2
161.05919	1.0
161.09563	1.0
161.13197	0.8
163.07449	0.7
163.11217	1.2
165.05550	2.2
165.09175	1.1
167.07034	3.6
169.06349	0.7
169.10190	0.5
171.03015	0.5
171.04393	1.1
171.06577	0.9
171.11638	0.5
173.13206	0.9
174.03120	1.1
175.03838	1.3
175.07527	0.7
175.11206	0.7
175.14778	1.0
177.05493	0.7
177.09120	0.5
179.07069	0.9
179.08516	0.5
179.10638	0.6
181.08638	0.9
183.06497	0.5
187.03929	1.1
187.11130	0.6
189.01828	3.7
189.09210	0.7
189.16335	0.8
191.03418	1.4
191.07051	0.6
191.10675	1.0
191.17989	1.0
193.08580	0.6
193.12177	0.5
195.02786	0.7
201.01871	0.7
201.05386	0.5
202.02606	4.1
203.03398	1.5
203.10606	0.7
203.17976	0.8
205.08516	0.8
205.12192	0.5
207.02997	0.9
207.06453	2.0
207.08279	0.6
207.10100	0.9
209.11763	1.2
211.13318	0.7
213.12651	0.6
219.02866	2.1
220.03667	5.3
221.18919	0.5
234.06793	0.7
239.12839	0.5
251.07045	2.0
252.07831	1.1
255.06409	3.4
263.07025	1.7
265.05051	0.5
277.08438	0.5
278.05957	0.4
279.06506	5.0
280.07220	2.0
283.05911	1.0
289.17563	0.5
289.25262	0.5
291.06543	2.2
293.04428	0.8
293.07614	0.5
294.05301	0.8
295.05988	1.3
295.09760	1.2
296.06595	0.7
298.04666	2.1
299.05032	0.9
299.08359	0.6
305.08078	0.5
306.09000	0.5
307.05975	4.2
308.06659	2.4
309.07477	1.0
310.07806	0.8
312.05698	1.2
313.07156	6.5
314.04916	1.2
315.05399	1.2
318.05273	0.7
319.05917	5.7
319.19086	0.5
320.06696	0.5
321.07785	1.8
323.09097	2.1
325.07065	2.1
326.07468	0.6
327.08618	2.9
333.07541	2.5
333.24350	1.0
334.08145	1.3
335.05466	6.9
335.08981	0.9
336.06238	26.5
337.06863	2.3
338.07608	0.7
339.07947	1.2
349.07059	1.3
350.07510	0.5
351.08588	91.7
352.09030	1.9
353.09814	0.9
354.10019	1.5
361.06985	1.5
363.08688	1.0
367.11682	5.7
368.03894	10.5
368.12009	6.9
369.04144	31.7
369.09671	100.0
370.03522	6.6
370.09988	1.9
375.25317	0.5
379.08105	0.6
391.08105	3.7
393.09433	1.2
393.26184	0.7
409.09137	4.4
415.32541	0.5
423.29178	1.0
441.29999	2.8
459.31036	3.5
477.32147	2.1
504.89847	0.5
513.13080	1.4
531.12402	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01862	5.2
55.05503	22.1
57.03428	14.4
57.07059	7.5
61.02927	8.7
66.10320	3.7
67.05501	58.5
69.07066	20.7
69.97840	8.5
69.98244	19.3
71.04988	5.6
79.05486	48.4
81.03424	6.5
81.07054	79.3
83.04977	8.1
83.08609	15.9
85.02895	7.9
91.05470	60.8
93.07041	77.9
95.04961	6.8
95.08598	46.1
97.02889	6.6
97.06555	6.0
97.10170	4.7
98.09692	39.9
105.07019	100.0
107.08598	46.6
109.06503	6.0
109.10165	13.0
115.05344	5.0
115.80590	4.1
116.10700	37.2
117.07006	45.3
119.08578	40.4
121.10135	40.9
123.04399	4.7
125.09605	4.1
128.06210	5.2
129.06995	17.6
130.07648	3.8
131.08554	45.7
133.10121	98.8
135.11681	48.0
139.11148	4.4
143.08537	14.0
145.10127	29.3
147.06895	3.6
147.11681	43.7
149.13261	31.2
157.10158	12.8
159.11676	83.9
161.13248	21.8
163.11166	5.7
171.11723	16.6
173.13237	46.6
175.14780	10.8
185.13258	23.6
187.14751	4.3
196.07365	26.1
199.14880	22.9
207.36078	4.8
213.16371	5.7
231.21156	6.2
241.19444	34.7
245.18880	4.2
259.20560	96.7
269.17532	6.3
277.21677	9.6
283.15060	4.2
301.16260	4.4
332.39700	4.2
333.24310	23.6
351.25348	68.0
477.28629	5.4
495.29257	20.8
530.32623	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	530.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26086	2.5
53.03923	3.2
55.01861	3.6
55.05506	32.2
57.03426	19.6
59.04985	3.5
65.03924	4.3
67.05497	100.0
68.71371	2.9
69.03407	3.5
69.07057	22.6
69.69021	19.7
71.04971	5.9
73.02902	6.1
75.33254	2.3
79.05058	2.8
79.05488	41.3
79.98788	2.2
81.03402	13.0
81.07047	82.6
81.87084	2.3
83.04960	10.4
83.08601	27.9
85.02888	15.1
85.06519	7.0
87.04447	7.2
91.05463	29.1
93.07029	45.2
95.04942	10.4
95.08591	31.0
97.06507	10.7
97.10151	13.1
105.07018	9.7
107.08591	35.3
109.10143	42.0
111.08043	8.3
116.88719	2.4
117.06991	7.1
119.08548	11.1
121.06501	3.0
121.10133	12.6
123.08044	3.5
123.11686	5.2
125.09618	19.5
129.05458	10.2
131.08560	14.1
133.10103	17.9
135.07990	2.9
135.10777	2.5
135.11668	12.4
145.10098	5.6
147.11679	5.6
149.13232	17.4
159.11697	11.5
163.11194	8.3
167.75806	2.5
173.11699	16.1
181.12198	4.4
191.10617	3.1
193.12202	3.0
195.13765	24.9
199.13266	10.1
209.11687	6.4
217.01918	2.5
227.12791	4.0
229.14333	52.9
235.74159	2.4
240.76320	2.6
267.15808	7.1
269.17432	65.0
269.20160	5.1
283.15234	4.1
301.16403	17.1
385.00797	2.7
411.27377	4.5
423.27542	21.5
477.29010	3.2
495.29474	26.1
513.30438	24.5
530.39691	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	530.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01864	3.5
55.05509	18.2
57.03426	15.0
57.07048	1.3
59.04975	1.4
65.03947	1.7
67.05499	28.4
69.03430	7.0
69.07058	8.9
70.65498	1.0
71.04966	5.2
71.61916	1.3
72.08141	1.5
79.05057	1.7
79.05486	29.7
81.03412	76.4
81.07050	32.9
83.04977	17.4
83.08612	22.5
85.02895	31.1
85.06519	3.7
91.05473	40.7
93.06458	2.0
93.07030	23.6
94.07373	1.3
95.04962	26.6
95.08595	17.2
97.02876	5.4
97.06529	6.6
97.10168	5.6
98.03201	1.2
99.04436	1.4
99.08088	1.9
105.06373	2.1
105.07021	28.7
106.07294	1.4
107.04958	9.9
107.08591	8.6
109.02872	1.2
109.06501	4.9
109.10157	5.3
111.04428	2.3
111.08066	12.1
113.05993	2.9
114.08460	1.3
115.05441	1.3
117.06998	3.5
119.04915	2.1
119.08564	23.2
121.06481	2.2
121.10130	12.0
123.04425	3.4
123.08029	3.6
123.11680	2.0
125.09659	2.7
127.03889	2.4
127.07566	1.4
129.06989	12.1
131.04924	1.4
131.08571	14.0
132.08965	1.2
133.06480	1.8
133.10114	15.6
135.11642	2.6
137.05949	1.9
137.09589	3.1
142.07736	3.9
145.10088	3.4
147.08029	3.9
147.11682	18.4
149.09586	7.1
149.13118	1.6
151.07593	2.1
151.11145	1.5
153.05412	1.1
157.10124	16.4
159.61537	1.1
163.11217	1.5
165.12727	3.0
167.06999	1.3
175.11169	17.5
193.12230	60.8
207.06401	1.7
211.13269	100.0
267.15903	27.3
275.19839	1.4
276.20331	2.5
283.05994	1.5
285.16934	96.3
295.05984	4.3
296.06210	5.8
298.04694	1.4
311.05527	1.5
313.07019	6.1
325.06964	14.3
349.23660	2.7
350.24045	9.9
365.10425	1.3
367.22659	2.1
368.12180	2.5
369.13049	1.5
381.13196	1.4
385.23682	1.8
459.27225	9.1
474.11081	3.4
475.12253	3.9
477.28470	13.1
495.29547	34.0
525.61047	1.3
530.16754	3.8
530.35382	6.5
531.18134	5.2
550.90179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
53.03934	0.7
54.80278	0.3
54.96812	0.3
55.01857	0.5
55.05510	2.3
56.05009	0.6
57.03414	0.7
57.04555	2.8
57.07060	0.5
58.06587	0.7
58.61359	0.3
59.04995	0.4
60.04523	0.3
65.03934	1.3
67.05493	2.8
68.05032	0.5
69.03417	6.0
69.07063	1.6
69.65739	1.4
69.66146	0.7
70.06590	1.4
71.04985	2.2
72.08152	3.0
73.02913	0.8
73.51868	0.3
74.06058	0.3
74.07187	0.9
78.11552	0.3
79.05482	1.9
81.03408	1.9
81.07049	2.8
82.06572	1.4
83.04982	1.7
83.06093	0.3
83.08598	0.7
84.04469	0.7
84.08131	5.2
85.02893	4.0
85.06517	0.6
86.06059	15.7
86.09698	0.7
87.04462	7.9
87.07980	0.3
91.05469	2.5
93.07030	2.6
95.04959	31.4
95.08604	1.7
97.02880	3.7
97.06520	0.8
97.07631	0.9
98.06047	0.8
98.09685	1.8
99.04454	2.8
100.07609	3.7
100.08672	0.3
101.06004	3.3
102.65662	0.3
103.03916	0.5
103.05436	0.3
104.07108	1.9
105.07019	3.4
107.04937	0.3
107.08586	4.7
108.04464	0.4
109.02877	1.7
109.06479	1.9
109.10154	1.4
110.02402	0.7
111.05540	0.7
111.08073	0.6
112.07613	0.5
117.07040	0.6
119.04949	1.2
119.08554	1.8
120.08144	0.4
121.02866	1.8
121.06521	0.5
121.10129	3.3
122.03186	0.6
122.06002	0.7
123.08072	1.0
123.11693	1.6
125.07095	6.6
125.09702	0.4
127.03896	3.2
127.07529	0.3
128.07103	0.7
128.10728	2.1
129.05510	0.5
129.06586	0.5
131.08546	1.6
133.10130	5.2
135.08020	1.9
135.11681	1.0
138.05499	0.4
142.08791	0.3
142.09724	1.4
143.08180	0.9
145.02898	0.3
145.04980	0.9
145.10139	1.1
146.08162	0.4
146.11746	1.8
147.04399	2.7
147.11685	1.3
149.09587	0.6
149.13266	1.5
151.07578	0.3
151.11168	0.8
152.07048	0.7
153.09081	1.5
158.08073	0.3
158.10893	0.6
160.09610	0.4
160.10806	9.0
163.14819	0.4
165.12704	0.7
167.07024	0.4
171.07773	0.3
173.13231	1.5
177.05473	0.7
191.14284	1.1
195.02913	0.6
196.03191	0.3
202.11922	1.7
203.03381	0.5
204.03729	0.3
204.12364	0.5
207.02937	0.4
207.06480	0.5
218.05289	0.3
218.11784	0.4
218.13844	0.3
228.13626	0.3
230.10239	0.6
232.12920	0.8
233.04305	0.3
235.14462	0.5
244.12834	0.6
248.11232	1.4
255.06509	0.8
260.15002	0.9
262.13965	1.5
266.12613	0.4
283.06061	0.4
284.06308	0.4
286.13873	0.4
288.14063	0.4
290.15936	1.6
293.07840	0.5
295.05984	2.4
296.06317	3.0
297.07074	0.5
299.05356	0.6
304.15015	2.6
307.06030	1.0
308.06253	1.9
309.07336	0.5
310.07834	0.7
315.42670	0.3
320.14545	0.5
321.07608	0.8
322.07877	1.8
322.16061	4.4
323.08813	0.5
325.07095	1.2
326.07391	1.4
333.07684	0.7
334.07703	0.7
335.08878	0.6
336.09430	0.6
337.06918	0.5
338.07394	0.9
346.07819	0.5
347.08554	0.4
348.09531	0.4
349.07147	0.8
350.07550	2.1
351.08527	1.1
352.09061	0.5
362.07251	1.3
368.12201	0.7
369.09671	1.0
374.07260	0.4
376.08920	0.8
379.07864	0.7
380.08398	2.0
389.09991	0.3
390.10736	0.5
391.07867	0.4
392.08438	1.4
397.09125	0.8
398.09454	1.9
404.08591	0.9
406.09842	0.4
409.09134	0.4
410.09555	0.6
416.09317	0.4
418.09985	0.6
422.09702	0.6
422.20367	0.7
427.10016	0.6
428.10626	0.4
430.09866	0.6
434.09412	0.9
440.10507	0.8
446.09573	1.2
452.10440	0.9
458.09753	0.6
464.10489	0.7
469.27853	0.5
470.11771	0.6
476.10352	1.1
482.11597	1.9
494.11676	2.3
495.11673	0.4
512.12628	4.8
512.29218	1.8
513.18848	0.3
530.14233	5.2
530.30664	100.0
531.13934	0.5
531.31110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01861	1.4
55.05506	14.8
57.03426	2.5
58.06600	7.8
59.04996	3.0
61.02917	0.9
67.05502	3.6
69.03422	7.0
69.07043	0.8
69.63950	4.3
70.06583	1.3
71.01327	0.7
71.04982	1.8
72.08145	3.6
73.02897	1.7
73.38001	0.5
76.55941	0.6
79.05507	1.8
81.03414	2.6
81.07050	2.3
82.06580	1.2
83.04973	9.5
83.05442	0.8
83.08600	0.7
84.04536	1.1
84.08133	66.0
85.02900	11.4
85.06544	3.1
86.06057	3.0
86.09701	0.8
87.04440	3.5
91.05476	17.1
93.07040	3.6
95.04970	1.8
95.08585	1.2
97.02877	8.3
97.06532	0.8
98.09688	5.6
98.20697	0.7
99.04456	1.8
100.07607	4.4
100.11245	2.8
101.06004	39.8
104.07128	0.7
105.06996	2.8
107.04948	1.7
107.08588	4.8
109.02907	2.2
109.06504	1.7
109.10136	3.7
111.04427	1.6
111.08085	1.4
114.09190	1.1
115.03894	1.0
119.04944	2.1
119.08576	2.6
121.02850	3.5
121.06532	1.6
121.10116	3.4
122.03183	1.2
122.06023	0.9
122.07246	0.8
123.04381	0.7
123.08080	1.4
125.07150	1.0
125.09596	3.5
125.53645	0.5
127.03890	4.1
128.10699	34.2
129.05440	0.9
131.08569	1.2
133.10120	2.3
134.66222	0.6
135.08044	1.0
135.11662	1.5
137.09607	5.8
142.08646	0.7
144.10184	2.4
145.04929	0.8
145.10095	3.0
146.11745	26.9
147.04396	5.5
147.11743	0.6
148.04794	0.6
149.09602	2.0
153.09067	1.3
158.10876	0.7
159.11588	0.7
160.09615	0.9
160.10841	1.4
167.06964	0.8
167.10672	3.3
175.03824	1.2
178.20056	0.5
181.52319	0.6
187.14801	1.7
188.12811	1.3
191.11545	0.6
195.02809	1.1
196.03233	0.6
201.13614	1.9
202.14301	0.9
203.03374	1.1
204.03809	0.8
205.15894	1.0
207.06474	1.4
208.09706	0.8
215.03525	0.9
217.04883	0.7
218.11804	1.4
218.13922	2.2
219.84738	0.6
221.04517	0.8
230.13873	1.8
235.14543	0.8
242.13817	2.8
248.14934	1.0
252.12392	0.9
254.13921	1.3
260.14914	20.2
272.14951	4.0
288.14365	0.9
290.15933	17.2
295.05914	6.2
296.06323	6.7
297.07147	0.8
306.08014	0.7
306.15439	3.7
307.05978	1.7
308.06311	3.9
308.17032	1.2
309.04056	0.7
309.07431	1.2
310.08112	0.7
310.70560	0.7
318.08514	0.8
320.06543	1.2
321.07401	2.5
322.07813	4.0
322.15988	1.7
324.09576	0.7
325.07175	2.1
326.07455	2.2
330.08401	0.8
333.07553	1.5
334.07794	4.1
335.09109	1.1
336.09537	1.4
338.07410	1.6
345.07550	0.8
346.07898	1.7
349.06976	1.7
350.07346	5.4
360.09436	0.7
361.06940	1.3
362.07239	3.5
363.08051	1.0
364.09033	2.1
364.19604	10.0
374.07410	1.5
376.08957	0.9
379.07693	1.0
380.08435	2.5
388.09232	0.8
391.08136	2.1
392.08322	6.1
394.20599	1.1
402.10770	0.9
404.08521	0.8
409.08966	2.0
410.09457	6.4
416.08459	1.4
422.09586	0.8
422.20132	9.2
427.10208	2.5
428.10623	5.5
429.10556	0.8
434.09622	2.1
446.09839	0.7
458.09323	0.7
469.28220	1.9
476.10718	1.2
482.11334	3.4
494.11401	3.0
498.18600	1.4
512.12677	15.0
512.29352	1.1
513.12848	1.8
530.13287	4.7
530.30219	100.0
531.29553	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	530.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.87148	0.8
55.01860	1.2
55.05506	21.6
57.03428	2.4
58.06598	12.8
59.05001	4.6
60.51095	0.7
63.64713	0.9
67.05505	1.4
69.03426	7.3
70.06585	4.1
71.04980	1.5
71.62892	1.1
72.08137	2.4
76.04823	0.7
76.47448	0.7
81.03420	1.9
81.07059	2.2
82.06578	1.3
83.04977	14.4
84.08139	56.7
85.02900	7.2
85.06535	2.7
86.06057	3.8
86.09710	1.1
87.04464	2.9
91.05478	36.0
93.07040	1.4
95.04973	3.0
95.08624	1.1
96.08128	1.2
97.02886	19.8
98.06049	1.0
98.09687	8.5
99.04441	1.7
100.07605	5.0
100.11250	2.3
101.06009	52.3
105.07060	1.4
107.08587	3.2
109.02885	2.3
109.06492	1.1
111.04411	1.0
111.05605	1.2
111.08041	1.0
115.03914	0.9
119.04919	1.8
119.08567	1.7
121.02856	2.9
121.10170	2.4
122.30276	0.9
123.08076	1.7
125.09664	1.0
127.03920	6.3
128.07047	1.0
128.10704	26.8
129.10211	0.9
133.06534	0.9
133.10109	1.1
135.08014	1.0
139.07614	0.9
142.08636	1.0
144.10194	4.7
145.02832	1.1
145.04970	1.3
146.09241	1.2
146.11749	38.4
147.04388	4.6
149.09608	0.9
163.03961	1.2
167.10721	0.9
168.06566	0.8
173.13190	1.0
177.05482	2.8
195.02850	0.8
201.13646	4.3
202.14394	1.7
207.06461	0.9
218.11961	1.3
218.13890	3.3
220.06229	1.3
230.13722	1.0
242.13757	6.5
252.12300	1.2
252.15981	0.9
260.14920	53.4
288.14352	1.2
290.16022	4.4
295.05991	2.8
296.06451	2.7
306.15387	1.0
307.06021	1.1
308.06287	1.8
321.07550	1.3
322.08005	2.4
326.07468	1.4
333.07718	1.2
336.09464	1.3
337.06897	1.2
346.07956	1.2
350.07318	3.3
362.07303	2.3
363.08505	0.9
364.08859	1.6
364.19693	1.0
374.07513	1.0
380.08127	1.1
392.08408	2.9
409.09097	1.1
410.09457	2.6
422.20218	28.6
427.10385	1.1
428.10602	2.7
438.29480	0.9
469.28323	1.4
482.11713	1.1
494.11670	1.3
512.12579	8.0
530.25397	100.0
531.26459	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01872	1.2
55.05507	11.2
57.03431	2.6
57.07067	2.0
65.03934	2.0
66.04693	0.5
67.05503	36.4
67.14223	0.5
69.06713	1.0
69.07066	12.7
69.56136	4.3
71.05002	3.1
79.05490	33.8
79.15796	0.5
81.03390	0.8
81.07054	45.7
83.04968	3.4
83.08619	7.8
85.06552	2.4
91.04892	0.6
91.05477	17.8
93.07040	40.3
95.04952	5.5
95.08603	22.4
97.06532	5.6
97.10180	1.1
98.20647	0.6
98.63363	0.4
99.08077	0.9
105.04517	0.7
105.07025	10.3
107.04928	0.7
107.08589	21.1
109.06516	2.6
109.10172	6.3
111.08077	3.5
111.11761	0.5
117.07021	7.2
119.08575	9.1
121.06581	0.6
121.10143	17.6
123.08062	0.5
123.11703	1.9
125.09595	0.8
129.06995	1.9
131.08571	10.2
133.10124	7.8
135.08022	0.8
135.11687	9.6
137.09639	0.7
139.11185	1.7
141.07008	0.6
143.08572	2.1
145.10129	5.8
147.11688	4.2
149.13257	19.9
155.08592	0.7
157.10098	2.8
159.11696	9.9
161.13280	2.7
163.14835	0.9
169.10138	0.8
171.11690	1.5
173.13280	3.7
175.14940	1.2
176.82193	0.6
177.12752	3.6
179.14439	0.5
181.09979	0.5
183.11707	1.0
185.13321	1.5
187.14752	1.2
189.16374	0.8
191.47632	0.5
195.12080	0.8
195.13802	4.8
197.13309	0.9
199.14810	0.8
201.16512	0.8
211.14934	0.6
213.14894	1.6
217.11621	0.5
223.14877	0.7
243.21011	0.9
247.83160	0.5
261.22083	3.5
317.24698	1.1
329.56851	0.6
395.30014	0.6
437.34171	3.1
455.35010	1.2
473.36353	0.6
484.07184	0.5
511.37927	2.1
529.38879	100.0
530.39056	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.05506	13.9
57.03430	3.0
57.07063	3.3
65.03947	1.9
67.05503	47.1
69.07060	16.7
70.30383	4.8
71.04979	2.3
79.05490	35.7
81.07053	50.5
83.04960	3.9
83.08620	9.0
87.04468	2.3
87.33295	1.4
91.05478	21.7
93.07039	45.7
95.04966	6.4
95.08599	25.4
95.09162	2.4
97.06535	3.8
102.09160	1.7
105.07040	17.7
107.08591	23.6
109.06487	2.3
109.10159	8.9
111.08077	2.8
117.07006	8.8
119.08563	12.4
121.10132	14.8
123.11718	2.1
127.16930	1.5
129.07024	2.4
131.08574	14.7
133.10136	11.5
135.11674	9.6
137.13184	1.3
143.08575	4.9
144.09589	1.4
145.10117	7.7
147.11729	5.8
149.13239	16.5
157.10141	5.5
159.11665	9.3
161.13266	4.2
171.11705	4.2
173.13254	4.0
175.14795	1.9
177.12781	2.4
183.11671	2.0
185.13254	2.7
187.14825	3.5
195.13834	5.5
199.14810	1.6
235.36122	1.5
256.26300	15.7
259.69864	1.4
261.22208	2.7
339.02075	1.4
340.96744	1.6
437.34290	3.6
455.35535	3.0
463.92123	1.5
473.36331	2.3
511.37912	3.7
529.38885	100.0
530.40088	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	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19136	1.0
53.03935	2.7
55.01865	1.7
55.05507	12.1
57.03429	3.0
57.07067	1.3
65.03944	1.2
67.05504	32.1
67.05867	2.1
69.07073	10.4
69.29378	13.1
71.04993	3.8
79.05054	1.6
79.05492	27.0
81.03407	1.8
81.07056	39.4
83.04981	2.8
83.08621	7.1
85.06538	1.4
91.05482	19.2
93.07039	31.7
95.04967	4.1
95.08601	20.6
95.09164	2.1
97.06524	3.6
97.10168	2.0
98.21451	1.7
99.08114	0.9
105.07019	15.2
107.08590	18.0
109.06535	1.9
109.10149	8.3
115.05506	1.1
116.36003	1.0
117.07011	8.6
119.08578	10.4
121.06420	1.1
121.10130	11.5
123.08073	1.5
123.11725	3.4
128.06216	1.2
129.07010	2.8
131.08565	12.2
133.10141	10.6
135.11702	8.7
141.06992	1.3
143.08534	4.9
145.10118	6.9
147.11673	5.9
149.13286	9.7
151.11124	1.0
155.08569	1.2
157.10136	4.2
159.11696	10.3
161.13307	3.5
163.14865	1.3
169.10161	1.5
171.11685	4.8
173.13257	3.8
179.14299	1.9
183.11726	1.7
185.13290	3.8
187.14793	2.4
195.13829	4.8
197.13251	2.2
199.14842	1.8
201.16338	1.8
210.99864	0.9
213.14784	1.2
213.16536	1.4
227.17813	1.2
229.15967	1.0
261.22198	2.5
297.22195	1.2
299.23740	1.2
317.24838	1.3
331.00668	1.1
419.33130	2.1
437.34097	6.0
455.34967	2.6
493.36703	1.2
511.37875	6.1
529.38904	100.0
530.39429	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.01862	9.0
55.05510	16.5
57.03220	2.2
57.03439	24.4
57.07056	5.7
61.02926	11.0
65.03928	4.5
67.05165	3.3
67.05501	40.5
69.03436	13.4
69.07064	26.8
71.04983	8.7
73.02896	7.6
75.07412	2.1
79.05489	43.9
81.03417	17.6
81.07050	67.4
83.04980	13.4
83.08610	15.0
85.02910	18.8
85.06536	9.7
91.03947	6.5
91.05473	52.0
91.06007	4.5
93.07040	54.2
95.04980	13.2
95.08040	4.1
95.08606	52.0
97.02887	29.8
97.06526	18.1
97.10159	8.2
98.21674	4.3
99.04445	6.2
99.08083	6.4
100.95911	2.2
103.03924	2.5
103.05489	3.8
105.07021	49.9
107.04939	17.2
107.08581	41.1
109.02879	10.4
109.06501	11.9
109.10159	24.1
111.04417	6.4
111.08085	19.5
115.03943	2.4
115.05438	5.2
115.07526	3.7
117.07016	25.0
119.08575	47.0
121.06495	4.6
121.10131	23.9
123.04416	8.1
123.08083	9.2
123.11696	9.6
123.23486	2.3
125.05984	4.5
125.09622	8.4
127.03912	19.8
128.06215	3.1
129.05489	3.4
129.06984	14.4
130.07744	2.6
131.08556	28.7
133.06453	3.1
133.10115	27.5
135.08038	6.3
135.11678	18.3
137.09625	6.7
137.13248	4.2
139.03891	3.2
139.07553	3.4
139.11140	2.4
141.06981	4.1
142.07817	2.2
143.08566	16.2
145.06476	4.0
145.10115	34.9
147.04449	2.9
147.08076	3.6
147.11679	23.8
149.05922	2.2
149.09612	15.8
149.13225	13.8
151.03906	3.0
151.11189	3.5
152.54842	2.3
153.01791	3.3
153.05437	16.8
153.06625	1.9
155.08569	7.2
157.10100	12.0
159.08029	4.4
159.11679	38.3
161.09703	5.4
161.13225	7.7
163.03951	3.2
163.11162	9.4
163.14815	3.6
167.07059	3.9
169.04939	2.4
169.10126	9.0
171.11636	15.3
173.09639	2.9
173.11880	4.2
173.13235	19.5
175.11147	5.5
175.14786	6.1
177.12756	4.1
179.10786	2.5
179.14296	3.9
183.11713	7.6
185.09668	2.7
185.13261	17.0
187.14815	8.4
189.09100	2.9
189.11238	2.6
191.03419	3.4
191.10712	3.0
191.14275	2.7
197.04437	5.8
197.13231	6.3
199.14841	4.0
201.12703	3.0
201.16370	3.1
203.14313	10.2
205.15884	4.9
211.14824	3.4
213.16466	3.3
215.17975	3.2
219.17435	10.3
227.12769	5.6
229.19531	3.5
239.17917	10.5
252.01865	2.9
257.18988	29.7
275.20050	50.7
279.19556	4.6
293.21088	4.1
298.04510	2.8
309.20587	3.6
311.05719	4.4
313.07083	7.2
325.07007	6.7
331.22647	6.2
337.06915	7.2
341.19913	2.3
347.22119	3.5
349.10797	4.9
349.23679	100.0
351.17804	3.5
352.09369	5.5
353.19534	2.4
367.11710	73.7
367.16089	4.8
367.24750	20.5
368.12057	6.3
379.11679	8.9
391.24698	5.7
409.25916	5.7
475.31522	12.2
493.28516	3.9
493.31055	3.9
511.15909	5.8
511.28406	17.9
523.27759	2.5
529.16235	13.6
529.33942	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01853	7.2
55.05508	19.1
57.03187	2.2
57.03436	19.6
57.07057	1.7
61.02918	14.2
65.03907	2.3
67.05504	39.5
69.03429	13.0
69.07065	19.7
69.56258	16.6
71.04974	6.7
73.02899	7.7
79.05489	35.5
81.03430	10.2
81.07050	50.3
83.04977	10.0
83.08612	10.6
85.02899	17.3
85.06532	8.1
89.06024	2.3
91.03933	5.1
91.05474	41.9
93.07041	43.7
95.04972	10.9
95.08038	2.9
95.08601	35.8
97.02883	18.9
97.06538	17.3
97.10154	7.4
99.04445	4.6
99.08073	4.8
101.02374	1.9
103.03910	3.0
105.06373	3.2
105.07026	44.5
107.04939	8.7
107.08585	34.2
109.02862	7.1
109.06538	9.9
109.10157	13.4
111.08095	14.4
115.05327	1.7
117.07018	19.9
119.08578	37.1
121.06473	6.2
121.10136	19.4
123.04442	4.7
123.08051	9.0
123.11700	5.0
125.09618	7.4
127.03906	14.4
127.07528	4.4
128.06134	2.4
129.05455	4.3
129.06995	10.6
131.08554	26.8
133.10123	26.8
135.08026	4.7
135.11693	12.4
137.09570	4.9
139.07565	2.0
141.06987	4.2
143.08496	10.7
145.10115	29.6
147.04333	3.5
147.08041	4.2
147.11693	19.7
149.09628	11.4
149.13232	5.9
153.01788	2.5
153.05440	6.3
155.08543	5.4
156.09311	2.7
157.10153	11.5
159.08127	3.2
159.11674	27.7
161.09552	5.6
161.13220	11.4
163.11179	8.7
165.12738	2.6
167.07028	2.2
169.04900	2.0
169.10101	5.6
171.11694	9.6
173.09518	3.1
173.13261	16.6
175.11172	3.6
175.14876	3.2
177.12816	2.5
179.03331	2.1
179.14296	2.4
183.11661	7.7
185.13232	15.9
187.11090	2.4
187.14813	6.9
189.11205	3.5
189.12680	3.6
191.03310	2.0
197.13220	5.9
201.12671	2.2
201.16415	3.0
203.14314	9.0
205.15849	6.0
206.95406	1.9
213.16345	2.2
219.17522	9.2
226.66794	2.3
227.12720	3.2
239.18005	12.7
257.18985	26.2
259.20349	2.2
267.15878	3.1
275.20026	47.4
275.22748	3.6
293.21072	2.6
298.04507	4.6
309.07550	4.6
311.05206	3.4
313.07007	11.2
321.07410	2.8
325.07001	4.6
331.18658	2.4
331.22238	4.3
337.07111	6.7
339.08670	2.2
349.10641	5.7
349.23706	100.0
351.25217	2.7
352.09302	8.2
367.11761	83.0
367.24719	19.6
368.12009	6.0
373.23309	3.0
379.11569	5.8
391.24686	4.5
409.25821	3.0
419.24075	2.9
475.26364	3.3
493.27643	3.5
511.15906	2.3
511.28909	16.5
529.16602	7.3
529.35474	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89061	2.1
55.05504	15.2
57.03420	7.1
57.07068	3.2
59.04996	1.8
65.03920	5.0
67.05499	78.2
69.03435	2.1
69.07060	13.4
71.01352	2.9
71.04971	2.7
71.08588	2.0
71.64233	2.4
73.02901	5.4
75.04481	2.2
79.05057	2.9
79.05485	39.7
81.03373	2.1
81.07048	91.2
83.04951	2.2
83.08607	10.4
85.02894	13.4
85.06510	3.0
91.04964	2.0
91.05478	21.6
93.07034	52.3
95.01305	9.6
95.04948	5.2
95.08601	67.5
97.06512	2.8
97.10157	3.7
99.08054	2.4
103.03978	2.2
105.07011	19.7
107.08586	37.0
109.06468	3.4
109.10150	41.2
111.08085	2.6
113.02341	3.9
117.06991	9.6
119.08565	23.8
121.09306	2.9
121.10130	37.1
123.11691	19.3
125.09647	1.6
129.07014	3.1
131.03368	4.1
131.08556	24.2
132.63599	1.7
133.10155	16.4
135.11678	31.1
137.09576	2.1
137.13254	9.2
141.01805	14.3
143.08508	3.4
145.06520	1.8
145.10109	16.9
147.08043	2.0
147.11671	13.3
149.13239	19.3
157.10078	3.3
159.11687	17.3
161.09685	2.1
161.13194	10.9
163.14764	10.7
165.12700	2.7
171.11722	3.5
173.13229	14.6
175.14807	3.9
177.16327	3.8
179.14236	4.3
181.10057	2.1
183.11658	2.6
185.13176	1.8
187.14778	9.2
195.00308	9.3
195.11868	1.9
201.16411	2.0
205.15819	2.5
233.22638	3.5
239.24823	1.8
243.21065	23.1
257.42670	1.7
261.22122	100.0
263.23575	1.9
279.23169	6.9
303.23325	2.6
335.25732	23.3
339.23209	3.2
351.25214	2.0
353.26859	86.1
377.26544	3.3
401.22943	2.6
419.23996	3.1
431.27838	6.1
457.25687	2.7
460.96671	1.9
475.27368	2.8
493.27457	2.7
511.28653	5.2
529.35571	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03802	1.3
53.03938	6.0
55.01625	1.8
55.01870	19.1
55.05264	2.1
55.05507	32.3
57.03431	12.7
57.07073	1.6
59.04977	1.7
61.02920	34.6
65.03933	3.5
67.05500	48.1
69.03423	22.7
69.07058	28.5
71.01329	3.1
71.04990	6.4
71.63794	2.7
73.02911	15.0
79.05486	44.4
81.03407	14.7
81.07048	61.5
82.07381	2.0
83.04967	13.2
83.08614	15.9
85.02417	2.7
85.02895	32.8
85.06525	7.2
91.03945	16.8
91.05472	41.0
93.06458	2.7
93.07034	44.0
95.04966	12.7
95.07964	2.0
95.08593	33.5
97.02880	28.9
97.06525	34.0
97.10151	17.8
99.04430	7.3
99.08065	1.7
101.02361	4.6
101.05956	1.4
103.03900	3.7
103.07646	1.2
105.07022	42.8
107.04948	18.4
107.08582	45.7
109.02888	9.0
109.06518	10.3
109.10141	22.9
111.04436	2.1
111.08069	7.4
113.02306	1.4
117.07002	17.3
119.04959	2.2
119.08576	31.1
121.02866	1.5
121.06496	5.7
121.10116	16.5
123.04436	4.5
123.08044	6.6
123.10925	1.4
123.11691	8.7
125.05974	1.9
125.09608	22.1
126.30373	1.5
127.03912	17.0
129.06984	4.4
131.08568	21.5
133.06467	4.0
133.10115	26.5
135.04391	1.8
135.08064	9.0
135.11690	11.7
137.05942	2.3
137.09564	5.0
137.13226	2.4
139.03891	3.8
139.11177	1.6
141.07005	3.1
143.08601	3.5
145.04910	3.4
145.10107	21.1
147.04439	2.8
147.08015	2.5
147.11676	19.6
149.05943	1.9
149.09605	20.2
149.13281	6.4
151.07510	2.3
151.11174	3.5
153.05438	3.6
153.09134	2.4
155.08548	2.2
157.10101	4.8
159.11703	12.6
161.05911	2.4
161.09644	3.8
161.13251	5.6
163.11160	9.0
163.14822	2.4
165.12709	4.3
169.08661	1.4
169.10097	3.7
171.10112	8.1
171.11691	4.7
173.09573	2.9
173.11823	2.3
173.13240	9.5
175.11092	3.1
175.14839	2.7
177.05249	1.6
177.12775	4.6
179.14262	1.8
181.12283	1.4
183.11618	3.5
185.13292	2.9
187.07521	1.6
187.11179	2.3
187.13237	2.5
187.14771	1.5
189.11197	19.4
189.12712	2.3
193.12225	2.2
195.13751	3.4
197.13254	2.9
199.09587	1.9
201.07639	2.0
203.14227	1.7
205.04929	1.7
205.12178	2.2
205.15918	1.5
207.10080	2.4
210.87173	1.4
227.12791	21.9
229.14246	3.8
229.19380	3.2
235.16931	1.7
239.17960	6.4
245.13815	12.3
247.20552	4.2
253.17860	8.8
255.15695	2.4
257.19019	13.2
269.17441	11.7
271.05896	4.4
275.20047	70.5
275.90408	1.4
283.15305	1.8
293.21033	5.4
299.19971	2.2
309.20590	1.8
311.05463	21.9
317.20813	1.5
320.99768	1.4
325.06900	2.4
331.22855	1.8
337.06885	2.2
339.08682	1.9
349.23709	100.0
350.23917	2.5
352.09595	1.8
367.11731	29.9
367.24789	42.1
379.11661	2.2
391.24756	4.2
413.21573	1.6
419.24005	1.5
431.31564	1.7
432.80563	1.5
433.25381	2.0
451.18204	1.5
473.10428	3.8
475.30975	2.6
493.32269	1.6
497.18179	1.5
511.28827	5.2
529.17145	11.2
529.35138	23.0
530.16614	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	529.2179
Annotation	Antibiotic UK 2D
Peak:m/z	Relative Intensity
52.53983	0.4
55.01865	1.1
55.05491	0.7
56.96558	0.4
57.39652	0.3
67.05497	1.1
69.03427	2.2
69.07063	19.3
70.06592	2.2
70.09959	1.6
71.01344	2.8
71.04984	1.2
72.08147	3.5
73.53493	0.6
79.05463	0.8
80.01381	0.8
81.03407	1.2
81.07053	0.9
82.02941	3.0
82.06575	1.0
83.04963	0.5
84.08134	3.4
85.02423	0.4
85.02856	2.1
85.06538	0.7
86.09698	85.2
89.02396	2.7
91.05479	1.2
93.07030	0.8
95.04969	0.6
95.08602	0.8
97.02872	2.2
98.02400	5.9
98.06039	0.4
98.09673	0.8
99.00842	0.8
100.07596	3.6
101.06010	0.9
101.07913	0.8
103.12319	0.8
105.07070	0.5
107.04927	3.8
107.08552	0.6
109.02872	1.3
110.02391	78.0
112.07564	1.2
115.03918	0.6
115.05410	0.6
116.37451	0.4
117.06922	0.6
117.82104	0.4
119.04951	2.7
119.08617	0.4
121.02827	1.2
124.03951	4.1
127.03881	2.4
128.03383	0.7
129.10240	0.5
131.04903	0.6
133.06468	0.6
135.08081	0.4
138.09102	0.6
140.07059	0.5
145.06491	3.5
146.05983	0.5
147.04399	5.7
161.05901	0.9
166.08626	35.4
167.07045	0.6
167.08670	0.4
170.84955	0.4
173.06058	0.6
175.03934	0.6
177.05435	0.7
183.11276	50.0
208.09586	0.6
209.09627	0.5
212.08289	2.3
213.09081	1.2
216.06548	0.8
219.08086	1.9
223.07492	2.4
225.09209	0.8
235.07639	0.5
237.09041	3.0
247.07396	2.0
249.16005	1.0
265.08560	3.2
267.10178	0.5
279.06622	0.7
293.08139	2.0
295.05991	1.6
297.71371	0.4
307.06030	0.5
309.25089	0.4
321.07611	0.7
325.07019	0.8
349.06836	0.5
367.16385	0.6
375.09543	0.5
378.16980	0.6
391.08124	0.6
395.19632	15.8
409.09155	0.9
413.20740	6.8
427.10175	0.9
473.49460	0.4
481.11472	0.4
511.12146	0.9
511.20651	1.6
512.19464	0.6
529.21722	100.0
530.22382	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05904	0.4
55.01867	1.2
57.03415	0.4
67.05495	0.9
69.03410	1.2
69.07062	19.5
69.72562	0.9
69.72966	2.6
70.06588	1.5
71.01347	5.4
71.04977	0.6
71.86440	0.5
72.08146	3.4
80.01371	0.8
81.03413	0.7
81.07038	0.5
82.02927	3.6
82.06576	0.8
82.31079	0.5
83.04961	0.6
84.04536	0.5
84.08136	4.2
85.02885	1.9
86.06050	0.6
86.09698	100.0
87.04422	0.5
89.02390	5.2
89.10814	0.6
91.05470	1.4
95.04956	0.4
96.08173	0.5
97.02884	2.7
98.02404	6.3
98.06044	0.5
99.00806	1.0
99.04455	0.5
100.07581	1.3
101.06002	0.5
103.12325	2.4
106.02906	0.5
107.04968	3.1
109.02861	0.5
110.02393	72.9
112.07597	1.0
117.06977	0.7
119.04915	3.2
121.02850	1.1
121.03622	0.4
124.03156	0.6
124.03958	4.6
127.03858	2.6
128.03424	0.6
129.10201	0.6
131.04912	0.6
145.06458	3.0
147.04398	10.4
148.04712	0.6
161.05962	1.2
165.10284	0.5
166.08627	37.8
167.07219	0.5
167.08832	0.5
168.41539	0.4
176.79648	0.5
179.03391	1.3
179.28398	0.5
183.11275	59.4
195.08008	0.5
207.08047	0.5
209.09566	0.6
211.07509	0.4
212.08302	2.5
213.08965	0.5
219.08060	1.3
223.07616	2.4
225.09001	0.7
232.13107	0.5
237.09103	2.6
237.50961	0.4
237.53853	0.4
239.10858	0.5
247.07542	1.8
249.15941	2.6
259.63330	0.4
265.08499	2.7
272.38098	0.5
273.35056	0.5
279.06384	0.6
293.08078	1.7
307.05847	0.6
349.07242	0.5
377.18619	0.6
378.16971	1.0
391.08316	0.6
395.19617	35.3
413.20602	3.4
427.09796	0.5
474.49127	0.6
511.20502	1.1
512.19220	0.6
521.09381	0.5
529.21735	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
55.01862	0.9
55.05503	0.8
57.03440	0.4
60.04535	0.5
63.12290	0.3
65.97402	0.3
66.75224	0.3
67.05509	0.5
69.03409	0.7
69.07061	16.4
70.06599	1.7
71.00955	0.4
71.01350	8.0
71.04985	0.6
71.37263	0.5
72.08153	4.9
80.01358	0.8
81.03399	0.8
81.07062	0.4
82.02927	2.2
83.04980	0.8
84.08135	3.8
85.02881	2.3
85.06532	0.4
86.09698	100.0
89.02385	8.9
89.10783	0.7
91.05468	1.7
95.05009	0.4
97.02889	2.4
97.06508	0.4
98.02412	4.8
98.06068	0.7
98.09677	1.0
99.00825	2.3
99.04430	0.5
101.06023	0.6
103.12335	2.0
107.04948	2.6
109.02885	0.9
110.02393	58.7
112.07657	0.6
116.98627	0.4
117.01880	0.4
119.04937	2.6
120.08099	0.4
121.02857	0.7
121.10183	0.4
122.50480	0.3
123.04421	0.4
124.03966	3.3
127.03919	2.5
129.10246	0.8
131.04927	0.6
136.11241	0.6
138.05428	0.4
145.06487	2.4
147.04396	9.3
147.05484	0.6
148.04778	0.5
152.07114	0.8
161.05962	0.4
163.03802	0.5
165.10184	0.5
166.08627	31.3
167.07072	0.6
167.08527	0.4
177.05580	0.3
179.03401	0.3
179.62526	0.3
183.11273	54.7
191.08501	0.7
194.07251	0.4
200.07047	0.3
207.08069	0.6
209.09599	0.5
212.06557	0.5
212.08305	3.1
213.09134	1.0
215.01894	0.8
218.11768	0.3
222.91176	0.3
223.07530	1.5
233.04382	0.4
233.49542	0.4
237.09167	1.3
239.10738	0.4
247.07587	0.7
249.15955	2.9
265.08572	1.7
268.56128	0.4
279.06592	0.9
283.06091	0.6
293.08118	0.7
295.05859	0.8
307.05756	0.7
325.07004	0.4
361.06738	0.4
367.28970	0.4
377.18671	0.5
378.17078	0.4
395.19635	35.2
413.20645	2.2
511.12418	0.7
511.20743	1.0
529.21735	50.8
536.35870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23372	0.2
53.03922	0.6
55.01872	0.6
55.05482	1.2
57.03404	1.0
57.07055	0.5
59.04970	0.3
61.02881	0.8
65.03934	0.3
67.05504	2.6
68.99744	0.6
69.03428	3.9
69.07065	1.7
71.04942	0.5
72.08147	0.5
73.02919	0.7
76.18063	0.3
79.05489	1.9
81.03422	1.7
81.07053	3.9
83.01312	0.3
83.04968	1.5
83.08595	0.4
84.08100	0.3
85.02898	4.3
85.06532	1.8
87.04443	0.8
91.05465	1.4
93.07037	3.1
95.04930	0.9
95.08601	3.6
97.02894	4.8
97.06491	1.0
97.10115	0.4
98.20674	0.4
99.04417	1.0
99.08066	0.3
105.07013	2.6
107.04913	0.8
107.08577	2.2
109.02882	1.4
109.06464	1.1
109.10139	2.7
111.04395	0.7
111.08097	0.7
113.05989	0.3
115.03900	0.6
117.06973	0.8
119.04916	0.5
119.08577	1.4
121.02811	0.9
121.06464	1.0
121.07269	0.2
121.10150	1.8
123.04429	0.7
123.08046	0.7
123.11663	1.1
125.05945	0.8
125.09572	0.7
125.84015	0.3
127.03080	0.4
127.03915	5.1
131.04929	0.4
131.08527	0.8
133.06419	0.9
133.10127	1.3
134.03603	0.5
135.04362	0.7
135.07990	0.4
135.11667	1.4
137.02246	0.4
137.05928	1.1
137.09598	0.7
137.13222	0.6
139.03831	0.9
139.07489	0.6
141.05426	0.5
143.08559	0.4
145.06468	0.6
145.10126	0.8
147.04393	1.2
147.11609	1.3
149.02368	1.4
149.09592	0.5
149.13213	0.9
151.03836	0.4
151.07545	0.6
151.11160	0.4
153.05464	1.3
153.06702	0.3
157.10080	0.4
159.08015	0.4
159.11682	0.6
161.02318	1.6
161.06013	0.4
161.09610	0.8
161.13171	0.4
163.03891	0.8
163.07541	0.5
163.11145	0.5
163.14827	0.5
165.01842	0.4
165.05351	0.4
165.09084	0.7
167.06993	1.2
169.05006	0.4
171.11674	0.3
173.05856	0.4
173.09720	0.4
175.03854	0.5
175.07469	0.4
175.11183	0.3
175.14737	0.5
176.00574	0.3
177.01740	0.4
177.05423	0.9
177.09082	0.8
177.16313	0.4
179.03383	4.5
179.06941	0.4
181.04955	0.6
183.02832	0.5
185.05896	0.3
187.07503	0.5
187.11276	0.3
189.09065	0.5
190.06206	0.7
191.03392	1.6
191.06921	0.3
191.17917	0.3
193.04930	0.3
193.08603	0.5
195.10168	0.7
197.04457	3.3
199.05975	0.9
199.11215	0.3
201.05417	0.9
201.16379	0.3
203.03355	0.9
203.17941	0.6
205.04898	1.2
205.08519	1.1
208.08739	0.3
209.04272	0.4
213.05426	1.0
215.07018	0.9
218.05630	0.5
219.06412	0.5
221.04408	1.9
223.06024	0.5
233.08072	7.9
236.06674	1.4
237.05045	0.3
239.09181	1.1
241.06989	0.5
241.10670	0.3
243.06516	0.4
251.08957	0.5
253.08609	0.3
255.06482	0.5
261.08893	0.5
265.04785	0.4
265.08652	0.4
267.06485	0.9
269.07953	0.7
269.11737	1.2
277.05151	0.3
277.08655	0.3
278.09314	0.5
279.10138	1.0
281.04611	0.4
281.08002	0.6
282.05188	0.6
282.08957	0.3
283.06039	0.6
289.08444	0.4
291.06531	0.4
293.11621	0.3
295.05975	2.1
295.09616	1.3
296.10590	0.6
297.07590	1.0
297.11145	2.0
298.04773	0.8
299.05463	0.7
301.06741	0.3
307.06033	0.4
307.09509	0.7
309.07562	1.3
311.05374	0.9
311.12860	0.6
312.06229	0.5
313.07010	5.7
316.07269	0.4
317.08099	0.4
319.05954	0.9
320.06924	0.5
321.07507	0.4
321.11154	0.4
323.08984	0.5
324.06259	0.3
324.09940	0.4
325.07083	2.9
325.10535	0.5
327.08661	1.6
331.09549	0.8
333.07480	0.7
334.08444	1.4
335.08990	0.8
337.07065	5.5
337.11044	0.4
339.08649	1.1
346.08337	0.4
349.06796	0.2
349.10654	5.6
351.08676	1.3
352.09402	8.7
355.07913	0.3
361.10834	0.7
364.09387	0.4
367.11740	100.0
368.12012	2.3
379.11774	3.7
391.24686	0.4
397.12604	0.4
409.12924	0.6
409.26163	0.5
413.30493	0.7
431.31732	0.8
439.28165	0.4
445.13071	0.5
457.12686	0.5
457.29492	1.0
463.13815	0.8
475.14044	0.8
475.30228	1.4
493.14581	0.3
493.31714	1.2
511.16415	0.6
511.32611	0.3
529.17004	55.6
530.17383	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	529.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.3
55.01831	0.8
55.05480	0.6
57.03398	2.0
61.02919	4.5
67.05452	2.4
69.03419	9.9
69.07039	1.3
69.70613	3.2
71.04962	0.7
73.02866	2.3
79.05449	1.2
81.03415	5.7
81.07045	4.1
83.04970	1.3
83.08576	1.2
85.02900	17.3
85.06503	2.4
87.04410	1.6
91.05430	1.3
93.07027	2.8
95.04936	0.9
95.08566	2.5
97.02875	8.9
97.06503	1.0
99.04383	1.7
101.96586	0.6
103.03889	1.5
105.06970	2.1
107.04893	2.1
107.08588	2.9
109.02851	3.0
109.06436	0.8
109.10090	2.1
115.03852	1.0
117.07037	0.6
118.04097	0.8
118.64628	0.6
119.04904	1.3
119.08541	1.2
121.02869	5.2
121.10085	1.4
123.08063	0.7
123.11638	1.5
126.71106	0.6
127.03905	8.1
131.08475	0.8
133.10069	1.3
135.04347	0.8
135.08000	0.8
135.11641	1.7
137.05905	0.8
139.03830	2.0
139.11172	0.7
145.04887	1.5
145.10060	1.2
147.07990	1.1
147.11635	0.6
149.02313	1.5
149.09621	0.9
149.13206	1.2
151.07512	0.9
153.01761	0.8
153.05415	1.3
155.04938	0.8
155.08530	0.7
157.10051	0.6
159.08006	0.7
165.06937	1.4
167.06998	0.9
171.07945	0.6
173.13162	0.8
175.07521	0.6
183.07991	1.8
185.05997	0.6
187.07443	1.2
189.09117	0.7
191.03418	0.6
191.10555	0.7
199.07503	1.7
204.10693	0.5
205.04724	0.8
211.07483	2.9
213.05377	1.6
216.04108	1.9
223.05893	0.9
227.07001	2.1
239.06963	4.8
254.05667	1.4
255.06569	1.0
260.08252	0.7
261.09058	0.9
265.12228	1.0
267.06500	41.4
269.07880	0.7
270.05331	0.7
271.05807	0.7
275.20126	0.7
277.08505	0.9
278.09183	0.7
281.04388	2.0
282.05182	2.6
283.05966	1.0
284.06705	0.8
287.07037	0.8
288.07748	0.7
289.08508	1.0
290.09326	1.3
291.06381	1.0
293.11646	1.4
295.05847	1.0
297.07550	100.0
298.07916	1.1
303.09781	0.7
305.08081	3.8
306.08871	3.9
307.05981	0.8
307.09647	2.2
309.07578	1.9
311.05563	1.2
311.09122	0.6
313.06924	0.7
316.07230	3.1
317.07950	0.9
318.08966	0.6
321.07602	1.2
321.11163	9.9
323.08920	0.9
325.10483	0.7
331.09647	5.5
332.10574	0.7
333.07455	1.0
334.08322	8.4
335.08817	0.8
339.08502	3.4
339.12253	13.3
348.09927	0.7
349.10672	95.5
350.11032	1.5
351.08380	0.7
367.11740	52.7
379.11731	1.1
391.11688	4.5
409.12985	1.2
413.30295	0.7
431.31601	0.8
457.29556	0.9
459.12820	10.1
475.30481	1.6
493.14648	0.8
501.17584	5.0
511.15988	60.5
529.17017	38.0
549.94574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07835	0.4
53.03955	0.5
55.01840	0.6
57.03407	1.0
58.44694	0.4
61.02890	0.7
61.40110	0.4
62.47552	0.4
63.73905	0.4
67.05479	1.1
69.03420	2.6
69.07043	0.7
69.97404	0.8
69.97812	2.4
73.02876	0.5
81.03366	1.5
81.07017	1.3
81.07526	0.4
83.04942	0.9
85.02886	3.6
90.49438	0.4
91.05450	0.7
93.06998	0.8
97.02847	1.9
98.21429	0.6
99.00784	0.6
107.08540	0.6
109.02824	0.7
109.10130	0.6
121.02849	0.9
127.03866	2.0
135.04390	0.7
135.11650	0.6
145.04958	0.7
145.06317	0.4
147.04402	0.5
161.02312	0.7
167.07085	0.5
237.05467	1.0
245.04268	0.4
255.06558	0.7
267.06512	3.1
282.05176	2.3
283.05984	8.2
293.11588	0.6
297.07584	8.4
299.05493	2.7
301.07059	0.6
307.09464	0.6
311.05380	0.8
312.06302	4.8
313.07031	14.0
321.07501	1.4
321.11197	0.8
323.05411	0.8
324.06259	0.8
325.06934	3.4
327.08606	8.6
334.08484	1.6
335.09225	0.7
337.07001	5.5
339.08578	1.7
339.12183	1.3
349.10663	9.3
349.23788	0.7
351.08603	2.7
352.09369	6.3
367.11746	100.0
368.12003	1.3
409.12973	1.2
511.15997	3.5
529.17029	86.5
530.17407	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	529.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01852	0.3
55.05479	0.8
61.02898	0.2
67.05495	1.2
69.03426	1.5
69.07044	0.7
69.56789	0.5
69.57185	1.7
73.02914	0.2
73.69014	0.2
79.05459	1.0
81.03391	0.7
81.07045	2.5
83.04955	0.7
84.04523	0.2
85.02884	2.0
85.06512	0.6
91.05457	0.9
93.07046	1.6
95.04936	0.7
95.08588	1.4
97.02882	4.2
97.06519	0.3
98.03197	0.7
98.21426	0.5
99.04420	0.5
103.05440	0.9
105.06999	0.9
106.02888	0.3
107.04939	1.3
107.08589	1.0
109.02843	0.6
109.06481	0.3
109.10155	1.5
111.04416	0.4
115.05448	0.3
117.06977	1.3
119.04899	0.5
119.08537	0.8
121.02857	2.5
121.06509	0.5
121.10136	1.1
123.04427	2.8
123.08014	0.3
123.11664	0.6
124.04021	0.2
125.05988	0.4
125.09596	0.3
127.03893	1.3
128.06157	0.3
129.07002	1.2
131.04912	1.7
131.08569	1.2
133.02841	0.6
133.06525	0.3
133.10117	0.5
135.04405	3.0
135.08081	0.4
135.11665	0.9
137.05922	0.5
139.03857	0.3
145.06430	0.5
145.10062	0.3
147.04396	0.4
147.11694	0.4
149.05966	0.3
149.09604	0.4
149.13228	0.5
151.07497	0.2
153.05440	0.8
153.06989	0.2
157.05305	0.2
157.06485	1.4
159.04407	7.8
159.08038	0.7
159.11617	0.3
161.13197	0.3
163.03885	0.6
165.05531	0.3
167.07072	0.3
169.04988	0.3
171.04370	0.4
171.11665	0.3
175.03905	0.3
175.07570	0.3
185.05956	1.7
187.07550	4.4
189.05472	2.1
195.02878	0.4
199.07492	0.3
201.05418	0.4
203.06981	2.6
213.05450	29.7
214.05997	0.3
215.07025	0.5
219.03026	0.2
220.05983	0.5
227.07063	0.5
231.02844	0.2
231.06479	1.7
232.08813	0.9
245.08115	0.8
247.11275	0.3
260.08307	0.4
261.09036	0.3
266.78903	0.2
267.06552	0.4
269.04282	0.5
270.05237	0.7
271.05914	0.2
275.10571	0.5
277.08578	0.4
281.08170	0.5
283.05890	0.4
289.08560	0.7
291.06442	0.5
292.07370	0.3
292.19904	0.3
293.07822	0.3
293.11551	0.3
295.06006	7.2
295.09338	0.4
297.07654	0.5
299.09195	1.3
303.10126	3.2
305.08038	0.5
306.05698	0.2
306.08801	1.1
307.05984	1.6
307.09702	1.1
309.07376	0.3
311.05350	0.6
317.08066	0.5
320.06799	0.3
321.07550	0.9
321.11111	0.5
323.18549	0.3
331.09622	25.8
332.09891	0.4
333.07523	2.6
334.08328	2.8
349.10669	92.3
350.11014	1.4
352.09247	0.3
367.11728	7.7
391.11911	0.5
401.12790	0.3
413.30453	0.3
457.29092	0.3
461.14136	0.5
475.30417	0.9
493.31290	1.1
495.82114	0.3
511.15964	100.0
512.16309	2.1
529.17010	1.7
529.25415	0.2
529.33710	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	529.1701
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
53.03920	0.3
55.01842	0.3
55.05480	0.3
57.03433	0.8
59.04982	0.1
61.02924	1.0
65.03915	0.3
67.05495	1.1
68.17871	0.1
68.99754	0.3
69.03423	3.0
69.07048	0.3
69.63680	1.0
71.04948	0.3
73.02907	0.8
79.05450	0.4
81.03416	1.6
81.07014	0.5
82.34779	0.1
83.01301	0.3
85.02893	3.4
85.06508	0.2
87.04436	0.5
91.03867	0.1
91.05446	0.4
93.03368	0.2
93.06993	0.4
95.04962	0.7
95.08578	0.3
97.02883	1.4
99.04392	0.3
101.02338	0.2
103.05388	0.2
105.03342	0.6
105.07022	0.7
107.04948	0.7
107.08553	0.2
109.02825	0.5
111.04414	0.2
115.05423	0.2
117.06948	0.6
119.04942	0.1
119.08514	0.3
121.02889	0.7
121.06454	0.2
121.10086	0.3
123.04417	0.7
123.11684	0.2
125.05949	0.2
127.03895	0.7
129.06981	0.3
131.04863	0.3
133.02782	0.2
133.06422	0.6
133.10071	0.2
134.03584	0.5
135.04427	0.7
137.02264	0.5
137.05934	0.2
137.09538	0.3
144.05672	0.2
145.06470	0.6
147.04326	0.3
147.07988	0.2
149.02338	2.0
149.05896	0.3
149.09586	0.2
151.03853	0.2
157.06438	0.2
158.88870	0.1
159.04361	0.2
159.08043	1.0
161.02322	2.6
161.05922	0.2
162.06770	0.3
163.03915	0.7
163.07481	0.5
165.01895	0.9
165.09076	0.3
167.03392	0.8
169.04893	0.3
173.05933	0.4
173.09459	0.2
175.03865	0.3
175.07561	0.2
177.01805	0.2
177.05457	0.4
177.09094	0.2
179.03381	8.9
181.04951	1.1
183.02827	0.7
183.04324	0.3
187.03923	0.2
187.07463	0.4
189.01787	0.2
189.05356	0.2
190.06226	0.8
191.01646	0.2
191.03384	2.7
191.07037	0.7
191.08533	0.2
193.04907	0.4
194.02141	0.2
195.02740	0.2
195.06506	0.2
197.04449	5.1
199.07469	0.3
201.05435	1.7
202.06212	0.6
203.03308	1.1
203.06923	0.3
205.04962	1.1
205.08560	1.1
209.04408	0.7
211.07603	0.2
212.08337	0.3
213.05379	0.5
215.06993	1.8
218.05730	0.3
219.06335	0.2
220.07272	0.4
221.04424	0.7
223.07521	0.2
223.11189	0.3
227.06961	0.5
231.06543	0.2
233.08057	13.6
235.05910	0.2
237.05501	0.3
237.09050	0.1
239.06981	0.3
240.04056	0.2
240.07861	0.1
241.08534	0.3
243.06412	0.5
251.09155	0.7
251.11055	0.2
253.08630	0.3
255.06471	0.7
261.09085	0.6
263.06921	0.2
264.07730	0.6
265.04843	0.8
265.08615	0.2
267.06610	0.7
269.08075	0.8
269.11697	1.8
271.05865	0.2
277.04825	0.2
278.09317	0.4
279.07153	0.2
279.10123	1.1
280.03647	0.2
281.04407	0.5
281.08139	0.5
281.11304	0.2
282.08890	0.5
283.05966	1.0
283.09119	0.2
283.09845	0.2
283.13297	0.3
289.08633	0.3
291.06476	0.4
292.07367	0.2
293.08331	0.3
293.11627	0.5
295.05972	2.6
296.10367	0.4
297.07632	0.5
297.11148	4.2
299.05490	0.9
301.07080	0.5
302.05652	0.2
303.06534	0.3
305.08087	0.3
306.08789	0.3
307.06027	0.6
307.09634	0.4
309.07620	0.5
311.05344	0.3
311.12799	0.6
313.07019	8.1
316.07217	0.5
317.08041	1.0
318.08716	0.3
319.06006	1.3
321.07474	0.4
321.11353	0.5
323.05383	0.3
323.08868	0.2
325.07016	2.7
325.10693	0.9
327.08600	0.3
331.09692	1.5
333.07574	0.8
334.08337	1.7
335.09158	0.5
337.07101	2.5
337.10867	0.2
339.08563	1.4
339.12347	0.5
349.10678	6.7
351.08734	0.7
352.09320	1.5
365.10056	0.2
367.11731	100.0
368.12006	1.5
379.11774	0.5
391.11560	0.2
409.12958	0.8
419.58038	0.1
493.31506	0.2
511.16302	0.2
529.17010	77.7
530.17377	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	529.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01868	0.4
55.05505	0.7
57.03437	0.3
57.07071	0.5
61.02917	0.3
65.03909	0.2
67.05497	1.0
69.03425	1.5
69.07066	0.6
70.04073	26.4
70.06598	0.4
71.03769	0.6
71.04417	1.4
71.04990	0.2
72.08160	0.3
73.02909	0.3
76.92802	0.1
79.05487	0.6
81.03419	0.8
81.07051	1.9
83.04979	0.5
85.02888	1.7
85.06535	1.0
86.03232	0.2
91.05486	0.7
93.07027	1.0
95.04971	0.4
95.08604	1.2
97.02892	3.3
97.06525	0.5
99.04427	0.4
105.07032	0.7
107.04973	0.2
107.08571	1.1
109.02888	0.5
109.06523	0.5
109.10144	1.1
111.04455	0.2
111.08089	0.4
114.99535	0.2
115.03963	0.4
117.03344	0.2
117.07005	0.2
119.04951	0.5
119.08606	0.4
121.02864	0.5
121.06520	0.4
121.10138	0.7
123.04462	0.3
123.08102	0.3
123.11686	0.4
125.06021	0.3
125.09629	0.2
127.03907	2.9
131.08553	0.3
133.10135	0.5
134.03639	0.4
135.11693	0.5
137.05989	0.8
139.07617	0.2
143.08601	0.2
145.04929	0.3
145.10118	0.2
147.04422	0.8
147.07973	0.3
147.11681	0.4
149.05963	0.5
149.09624	0.2
149.13287	0.3
151.03876	0.3
151.07541	0.3
153.05455	0.2
157.04980	0.2
159.08040	0.2
159.11647	0.3
161.05989	0.4
161.13315	0.2
163.03922	0.3
163.07492	0.2
163.11153	0.4
163.14896	0.3
165.05440	0.4
167.07033	0.8
169.06406	0.2
170.06732	0.2
173.05920	0.3
173.13272	0.2
175.14758	0.2
176.01100	0.2
177.01837	0.2
177.05463	0.3
178.34926	0.2
181.05054	0.2
181.12238	0.2
187.07521	0.2
187.11159	0.3
189.08972	0.2
191.03363	0.3
201.05470	0.5
203.03427	0.6
205.04834	0.3
207.02931	0.3
215.03529	0.2
218.05707	0.2
221.04346	1.1
223.06046	0.5
225.05518	0.2
236.06792	0.7
241.05093	0.2
251.07133	0.2
253.04892	0.3
255.12228	0.4
261.09009	0.3
263.06982	0.3
265.04901	0.4
267.06573	0.6
271.11789	0.2
277.08606	0.4
278.09232	0.3
279.06601	0.2
279.10114	0.3
281.04776	0.3
281.08087	1.1
282.05334	0.6
283.06104	0.3
285.07401	0.2
291.06592	0.2
292.07214	0.3
293.04462	0.3
293.07962	0.2
295.06033	1.8
295.09448	0.4
296.06940	0.3
296.10233	0.4
297.07550	1.3
298.04697	3.7
299.05261	0.2
301.06879	0.3
303.04929	0.2
306.08786	0.5
307.05963	0.8
307.09525	0.6
309.03882	0.5
309.07468	2.8
310.04779	1.1
311.05405	0.5
311.08960	0.3
311.12534	0.2
312.05408	0.6
313.07086	7.1
314.04926	0.2
317.08081	0.7
319.06107	0.5
320.06836	0.9
321.07526	0.7
321.11066	0.2
322.04602	0.3
323.05539	1.2
323.09000	0.3
323.12799	0.3
324.06210	0.6
324.09778	0.3
325.07123	3.6
325.10666	0.6
327.08789	0.2
333.07559	0.5
334.08319	1.8
335.05676	0.2
335.08984	1.0
337.07037	7.3
337.11108	0.4
338.07867	1.2
339.08609	1.1
339.12390	0.5
349.06970	0.6
349.10709	2.5
351.08749	1.0
352.09384	9.0
361.06836	0.4
365.10107	0.3
366.04056	2.9
367.05032	8.1
367.11734	100.0
368.03790	5.9
368.11609	1.5
379.07880	0.6
379.11749	0.7
391.08038	0.5
397.13068	0.9
409.09091	0.4
420.74042	0.2
427.10284	1.1
439.10233	0.3
445.10162	0.2
447.27847	0.2
457.29391	0.5
468.17664	1.0
469.11160	0.3
475.14175	0.3
475.30518	0.5
481.15039	0.5
493.11057	0.3
493.14456	0.3
493.31583	0.5
511.11502	1.4
529.14319	1.2
529.23602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01886	0.7
55.05518	1.1
57.03439	2.4
61.02915	2.8
65.03925	0.5
67.05509	3.2
69.03426	9.7
69.07079	1.4
70.68412	0.3
71.01366	0.5
71.04996	0.9
71.55438	0.3
73.02897	1.8
78.28483	0.3
79.05480	1.7
81.03404	3.0
81.07045	4.3
83.01369	0.3
83.04989	1.2
83.08638	0.6
85.02900	18.2
85.06550	0.9
86.34471	0.3
87.04443	0.8
91.05479	2.4
93.07027	2.4
95.04985	1.1
95.08606	2.2
97.02882	6.7
97.06530	0.9
98.21588	0.6
99.04431	1.7
101.02394	0.6
101.12863	0.3
103.03951	0.7
105.07032	1.8
107.04974	1.6
107.08568	2.2
109.02872	2.4
109.06509	0.9
109.10191	1.4
111.08105	0.6
115.04003	0.6
117.07038	1.2
119.04948	0.5
119.08614	1.3
121.02866	1.7
121.06508	0.7
121.10151	1.5
123.04469	1.0
123.08073	0.7
123.11727	1.0
125.06010	0.8
125.09656	1.0
127.03899	6.3
129.07033	1.1
131.08582	0.6
133.10184	1.4
135.04459	0.9
135.08083	0.6
135.11693	0.8
137.05952	0.8
137.09734	0.5
145.04979	1.5
145.10133	0.9
147.04417	1.0
147.08107	0.4
147.11653	0.8
149.05986	0.5
149.09622	0.4
149.13298	0.5
151.07567	0.6
153.01823	0.8
153.05499	1.2
155.07005	0.3
157.06540	1.0
159.08127	0.5
159.11688	0.7
163.14880	0.6
165.09048	0.5
167.07069	1.0
169.05061	0.4
169.06436	0.6
169.10182	0.4
171.08089	0.4
175.03828	0.4
177.01799	0.6
177.05457	0.5
179.03395	0.5
181.06519	0.6
183.02888	0.4
185.05989	1.1
187.07562	0.5
189.05418	1.9
193.08678	0.5
195.02937	0.8
201.05656	0.5
203.05283	0.6
203.07021	1.0
203.18011	0.4
204.09340	0.4
213.05461	1.7
219.02893	0.7
219.11809	0.6
228.09377	0.6
229.10147	1.6
231.06384	0.8
231.08235	0.8
232.08812	3.9
233.08041	1.3
247.11206	1.8
251.06895	0.4
257.09683	1.2
260.08310	2.6
265.08560	0.5
267.06512	0.5
269.04434	0.4
275.10611	3.4
277.08472	0.5
279.06442	0.6
281.08078	0.6
283.06058	1.0
289.08633	0.5
292.07367	0.4
293.08078	1.4
295.05972	9.9
303.10129	11.4
305.07947	1.0
306.08923	0.5
307.05957	2.4
307.09628	2.4
309.07648	1.3
311.05429	0.9
313.07199	1.6
320.06787	0.4
321.07483	1.1
321.11182	0.8
325.07108	1.1
331.09619	50.0
332.09909	1.0
333.07535	1.5
334.08212	2.0
335.08875	0.6
337.07288	2.0
339.08624	0.5
349.10672	84.5
350.11002	1.7
351.08746	0.7
352.09317	1.1
367.11734	100.0
368.12103	1.8
373.10699	1.9
379.11795	0.7
391.11691	3.5
409.12799	2.1
415.11880	0.5
431.31180	0.6
433.12717	0.6
439.28055	0.4
457.29233	0.8
475.13763	0.7
475.30484	1.3
493.14551	0.4
493.31360	1.2
511.09268	0.5
511.16034	7.4
511.31433	0.4
529.16833	13.5
529.33704	6.7
530.17041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
55.05521	0.2
65.03956	0.1
67.05483	0.5
69.03416	0.2
69.07053	0.3
69.99894	0.7
70.06583	0.4
71.97290	0.1
72.08128	0.2
79.05499	0.2
81.03390	0.2
81.07052	0.4
83.04962	0.3
84.08141	0.2
85.02877	0.4
86.09718	0.2
91.05459	0.2
93.07041	0.4
94.46713	0.1
95.04933	0.2
95.08583	0.2
97.02866	1.2
97.06525	0.2
99.04426	0.2
105.07027	0.4
107.04970	0.2
107.08553	0.3
109.02866	0.3
109.06467	0.2
109.10142	0.2
109.32177	0.1
110.03075	0.1
111.04396	0.2
111.07945	0.1
119.08545	0.3
121.02874	0.2
121.10164	0.1
127.03916	1.3
128.38951	0.1
131.08542	0.2
134.03642	0.3
137.05968	0.2
143.08575	0.1
145.10094	0.2
147.04411	0.5
151.03885	0.3
161.06038	0.2
163.03909	0.3
163.11276	0.2
165.05467	0.3
167.07060	0.2
173.06017	0.2
175.03917	0.2
176.01105	0.3
177.01851	0.3
177.05518	0.2
187.07478	0.2
191.07074	0.2
193.05115	0.2
194.02124	0.3
200.04610	0.3
201.05431	0.8
203.03397	0.6
203.07008	0.2
205.04955	0.2
207.02866	0.2
208.03650	0.2
215.03415	0.1
218.05765	0.3
219.06497	0.2
221.04428	1.3
225.05367	0.2
233.09592	0.3
235.07542	0.2
236.06808	0.7
237.05438	0.2
240.07780	0.1
241.07007	0.2
253.04955	0.2
253.08546	0.2
254.05687	0.2
259.06219	0.2
265.04965	0.3
265.08664	0.3
267.06506	0.4
269.07971	0.3
277.08551	0.4
279.10095	0.3
281.04880	0.2
281.08066	0.8
282.05179	0.7
289.08490	0.4
291.06436	0.3
292.07300	0.4
293.04382	0.4
293.07941	0.2
295.06042	1.1
295.09625	0.8
296.07056	0.3
296.10510	0.3
297.07651	0.9
298.04684	4.1
301.06839	0.3
306.05249	0.1
306.08624	0.3
307.06085	0.2
307.09677	0.4
309.04080	0.2
309.07489	2.4
310.04694	1.4
310.08240	0.3
311.05640	0.3
311.09177	0.3
311.12866	0.2
313.07022	7.1
317.07986	0.5
317.11328	0.2
319.05859	0.3
320.06671	0.8
321.07498	0.4
321.11191	0.3
323.05502	0.8
323.09122	0.3
324.06329	0.8
324.09805	0.2
325.07050	2.7
325.10751	0.7
327.08719	0.3
333.07675	0.3
334.08319	1.6
335.09073	0.8
337.07040	6.3
338.07791	1.3
339.08536	0.8
339.12399	0.4
349.06812	0.2
349.10690	2.3
351.08661	0.8
352.09381	8.4
367.11737	100.0
368.11990	1.4
439.40924	0.1
529.16223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01871	10.3
55.05267	2.0
55.05510	30.1
57.03432	21.6
57.07066	2.2
57.35702	1.5
59.04990	5.9
65.03930	2.4
67.05499	36.2
69.03425	5.4
69.07062	8.1
69.81314	12.6
71.01366	2.3
71.04990	8.9
79.05487	49.0
81.03413	78.7
81.07059	45.6
83.01342	12.5
83.04978	31.2
83.08616	33.4
85.02906	24.0
85.06536	3.1
90.21478	2.1
90.94807	1.9
91.05476	48.4
93.07045	41.7
95.04964	32.1
95.08609	15.8
97.02878	7.4
97.06509	10.2
97.10164	5.4
99.04485	2.9
99.08099	1.8
101.83994	1.7
105.07027	34.2
107.04950	18.2
107.08580	22.2
109.06481	12.8
109.10144	7.5
111.04448	5.2
111.08074	10.3
117.06993	13.3
119.08577	26.7
121.06514	6.0
121.10128	15.7
123.04425	4.0
123.08087	14.4
124.47292	1.9
125.05947	2.8
125.09642	2.8
128.06244	3.7
129.07010	16.2
130.07793	2.6
131.08559	17.6
133.06512	4.2
133.10107	18.7
135.08078	3.8
135.11678	13.1
137.09561	3.8
142.07782	3.4
145.10101	21.2
147.08080	6.2
147.11687	15.0
149.06003	2.6
149.09613	8.4
153.12733	2.1
157.10135	16.3
162.30309	1.7
162.60753	1.7
163.11174	27.5
165.12808	2.3
167.68269	2.2
173.09698	3.1
175.11171	16.6
181.12228	3.0
191.10667	2.7
193.12234	50.2
209.11745	8.7
211.13275	87.2
227.12793	4.5
267.15921	14.5
283.15387	100.0
285.16965	65.2
349.23611	3.2
366.10223	4.0
367.11542	4.0
383.21979	4.0
401.23053	2.4
449.09808	1.9
457.25943	3.7
460.43463	1.9
475.26999	15.9
493.27939	86.0
528.16229	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98747	0.8
55.01854	3.4
55.05498	8.8
57.03439	7.3
57.06811	1.3
57.07070	12.8
59.04985	3.9
61.02927	5.8
64.84491	1.0
67.05503	4.8
69.03424	15.3
69.07060	51.8
69.29592	2.4
69.30010	8.9
70.04069	4.1
71.01352	1.9
71.04984	4.7
71.08631	9.0
73.02911	24.8
73.06546	8.7
79.05474	2.3
80.30585	1.1
81.03419	5.3
81.07064	7.4
83.04970	3.1
83.08590	2.6
84.08112	1.2
85.02900	28.4
85.06511	1.5
85.10169	4.1
87.04456	2.0
89.06020	29.3
91.03922	1.3
91.05465	3.5
91.60779	0.9
93.07056	4.8
94.07403	1.1
95.04934	2.6
95.08600	5.1
97.02885	27.6
97.06496	2.0
97.10138	1.2
99.04452	2.8
102.19604	1.0
103.05527	1.0
105.07023	5.2
106.07335	1.6
107.04922	1.8
107.08577	3.3
109.02852	3.9
109.06483	2.4
109.10123	3.5
111.04398	1.5
111.11712	85.2
115.03920	10.8
117.06989	2.2
119.04918	1.7
119.08563	3.9
121.02841	1.5
121.06470	2.5
121.10129	1.9
123.04430	2.3
123.11678	1.2
125.05966	1.7
127.03909	20.1
129.06985	1.9
129.12746	100.0
131.08568	2.5
132.08879	1.1
133.04961	8.5
133.10088	3.5
135.11652	1.9
136.08331	1.3
137.02342	1.4
137.05957	2.6
139.07510	1.2
143.08591	2.6
144.08905	0.9
145.04939	8.7
145.10085	4.3
146.10442	1.7
147.04379	2.0
147.08055	1.1
147.11632	1.4
149.05869	1.3
149.09557	0.9
151.03793	1.2
151.11084	0.9
153.01871	1.5
153.05447	2.2
159.11664	1.6
160.12070	1.0
161.05881	1.0
163.05998	3.1
167.07033	3.0
170.15385	2.3
171.11691	0.9
174.13637	1.1
177.05479	1.3
181.04919	1.2
191.03377	1.2
193.08728	1.0
199.16924	24.1
207.06490	1.1
213.05420	3.2
215.03369	2.5
217.17967	38.2
219.02551	1.2
223.05893	1.6
231.06561	1.5
232.06921	2.0
241.07117	2.5
245.11862	1.0
259.07956	2.5
267.06528	1.0
273.18536	1.3
274.18872	1.3
283.06161	1.2
297.07474	1.1
311.05460	3.4
313.07031	2.1
323.09003	1.4
325.07159	1.3
326.07471	1.1
331.09683	1.0
337.07040	1.9
339.08475	1.3
347.09296	1.5
347.22025	1.4
348.09351	4.8
348.22406	3.7
349.06903	3.3
349.10754	3.3
351.08176	1.4
365.10153	4.2
366.03915	2.5
366.10443	12.6
367.11691	23.9
367.15704	1.3
379.11603	2.2
474.02124	1.0
474.29745	1.5
492.30591	1.6
493.15012	1.1
511.16263	4.7
528.15375	13.8
528.28430	1.0
529.17310	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	528.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01873	0.9
55.05508	1.4
57.03435	0.8
61.02910	0.7
65.03926	0.8
67.05498	1.1
69.03434	1.4
69.07066	1.1
70.06586	100.0
71.05000	1.2
71.61511	0.9
72.08145	1.8
79.05489	1.0
81.03411	4.0
81.07043	1.2
83.08611	0.8
84.04453	0.8
84.08156	1.9
85.02907	3.9
86.06068	1.6
86.09699	1.1
87.04462	1.7
91.05495	2.4
93.07064	2.2
95.04979	1.6
95.08607	2.4
96.08163	1.0
97.02892	4.9
97.06533	1.3
98.06023	0.8
98.09696	3.3
99.04445	0.9
101.06046	0.8
102.78169	0.8
103.48751	0.6
105.07008	2.7
107.04951	3.5
107.08585	1.6
107.69678	0.7
109.02887	2.7
109.06506	1.0
109.10175	1.3
111.04426	0.8
111.08110	0.9
112.07611	6.6
116.07056	0.8
119.04978	2.7
119.08607	2.5
121.02849	12.6
121.10185	0.8
123.08052	1.1
124.07579	0.7
127.03904	5.7
129.07050	0.7
131.08559	1.1
133.10139	3.3
135.04459	0.9
135.11755	0.9
140.07082	4.0
145.02814	2.4
147.04442	3.0
147.11754	1.5
158.08121	1.0
159.04430	0.9
161.05995	1.0
163.03951	1.9
167.07039	1.2
175.03937	1.4
175.14897	1.3
179.03433	0.8
185.05946	1.2
187.03979	1.2
191.03465	2.4
193.12396	0.8
201.05544	2.5
203.03381	14.3
203.05151	1.1
205.05034	2.4
207.06596	0.9
209.04486	0.8
213.05518	1.2
215.03468	1.3
215.07143	0.8
217.04990	1.1
219.06577	1.0
221.04437	7.4
225.05545	1.1
229.05034	2.2
233.04523	1.5
237.03000	0.8
243.06546	1.9
247.06158	1.0
253.04947	1.7
267.15897	1.0
269.04312	1.1
281.04514	1.6
284.11255	1.3
285.17130	1.2
293.08105	1.5
295.06281	1.3
297.07614	1.6
299.05423	1.4
305.08157	1.5
307.06180	2.9
307.09488	0.8
308.06729	3.7
309.07532	30.4
317.08344	0.8
319.09802	1.3
321.07550	85.8
322.08322	2.2
323.09290	1.7
331.09619	0.8
333.07629	3.8
334.08612	1.6
335.05542	1.2
335.09042	7.2
336.09863	2.5
336.17838	3.0
339.08588	8.2
343.09680	2.1
347.09119	17.2
347.13113	1.4
348.09567	0.9
349.10556	5.1
351.08578	15.3
359.09274	2.3
361.10696	12.3
363.08527	8.8
366.10287	0.9
367.07889	1.2
367.11975	2.3
371.09283	1.3
375.08615	22.3
377.10477	1.0
387.08591	9.3
389.10294	3.0
393.09680	5.8
399.08633	9.2
405.09628	14.7
408.14386	8.7
417.09579	7.6
423.10727	6.5
432.14294	8.7
435.10669	9.2
441.11777	47.6
442.12375	1.0
453.11761	16.1
459.12854	4.6
462.15466	0.9
492.16486	6.9
510.17517	38.8
511.18546	1.3
528.18665	16.6
528.25256	5.2
528.32306	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	527.3729
Annotation	Fomlactone A
Peak:m/z	Relative Intensity
53.03933	1.8
55.01866	2.2
55.05258	1.2
55.05505	16.8
57.03427	1.7
57.07065	1.3
58.97547	0.6
65.03947	1.3
67.05499	29.2
69.03438	1.3
69.07059	7.3
71.04979	1.7
71.64527	0.7
73.02925	0.8
79.05486	19.8
81.03411	17.8
81.07050	23.2
83.04980	2.1
83.08614	7.5
85.06525	1.1
91.04989	0.4
91.05467	16.3
93.07034	19.5
95.04969	5.5
95.08602	14.1
97.06531	2.2
97.10151	8.1
99.08075	0.8
105.07023	16.3
107.04948	1.0
107.08585	12.0
109.06529	1.7
109.10146	9.3
111.08076	2.0
114.44768	0.7
115.05475	1.6
117.07007	6.5
119.08576	11.8
121.06503	1.6
121.10123	6.4
123.04490	0.9
123.08095	0.9
123.11663	1.4
125.09597	4.8
128.06224	1.3
129.06967	5.3
131.08553	11.0
133.10124	6.7
135.08075	1.4
135.11713	4.9
137.09612	1.2
141.06953	1.3
142.07780	2.0
143.08542	7.0
145.02826	1.7
145.10104	9.5
147.08058	1.2
147.11659	5.1
149.09633	1.5
149.13196	1.6
155.08566	3.1
157.10100	8.2
157.11246	0.7
159.11694	7.1
161.13245	2.6
167.08527	1.2
169.10123	4.6
171.11690	6.0
173.11815	1.6
173.13278	4.2
175.11172	1.3
175.14793	1.9
177.05394	4.5
181.10165	2.4
183.11652	4.1
185.13234	4.4
187.14861	2.2
189.11244	3.1
193.10493	1.1
193.12219	7.7
195.11670	2.3
197.13264	2.6
198.97443	1.3
199.14839	2.2
201.16331	1.1
208.91101	0.8
209.13275	1.2
211.14804	1.8
213.16425	1.6
221.13516	0.8
223.14873	1.0
237.16360	0.8
239.18074	0.7
243.21049	0.8
249.14764	1.1
259.20615	0.7
261.22147	2.6
266.49225	0.7
299.23627	1.1
301.25275	1.8
315.23178	1.4
318.14374	0.8
325.25537	0.7
327.23053	0.9
341.24896	0.9
359.25458	0.8
367.35428	0.7
396.52588	0.7
417.31482	2.2
435.32690	7.3
453.33594	7.3
471.34659	4.7
509.36212	5.5
527.37299	100.0
528.37555	2.4
537.73578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01867	4.9
55.05487	1.6
57.03423	1.9
59.04993	1.3
67.05482	1.2
69.03421	7.2
69.96007	4.3
70.06580	3.4
71.04981	3.2
72.08142	5.0
73.02898	1.5
74.96701	1.0
79.05474	2.5
81.03415	13.5
81.07053	1.8
83.04977	1.5
84.08115	1.1
85.02894	6.0
86.09694	1.7
87.57192	1.1
91.05479	1.7
93.07041	1.8
95.04939	1.1
97.02865	5.9
97.06489	1.3
98.06039	4.7
98.09665	2.0
99.04439	9.1
103.03942	3.0
105.07009	1.4
106.06555	1.6
107.04935	1.3
107.08586	4.6
108.04474	6.3
109.02881	15.4
110.02386	7.0
110.06007	1.2
114.10282	1.3
119.04910	2.1
122.06001	2.9
124.07599	2.1
127.03903	19.6
132.08115	1.6
135.08035	8.2
136.07558	3.0
138.05492	2.0
140.07056	4.5
145.02776	1.9
145.04982	1.7
145.07626	3.9
146.05937	1.2
147.04391	6.4
148.07529	1.6
150.05530	2.1
152.07079	4.7
156.08011	1.2
159.09229	1.7
160.07562	3.8
161.07089	2.7
162.09088	1.6
163.08684	7.6
164.07086	2.5
166.08731	1.1
168.06606	3.7
174.09114	4.9
175.08727	1.6
176.10638	1.4
177.10210	5.5
178.08609	79.7
183.09283	1.2
184.07596	1.4
187.08742	1.7
188.07088	4.7
189.06621	3.9
191.08075	2.7
191.14275	1.4
198.09151	2.3
201.10251	4.7
202.08626	13.6
203.11807	1.9
205.09709	16.1
206.08090	16.0
207.07652	16.3
214.06041	1.1
216.10233	3.0
217.09711	1.8
219.07791	2.3
219.11276	14.6
220.09645	2.7
225.10168	2.1
226.08640	2.1
229.09801	8.5
230.08112	5.1
232.07281	1.3
234.09924	1.5
243.11267	5.0
244.09647	3.9
245.09396	1.2
247.10771	52.2
254.07877	1.3
259.10706	1.3
261.12466	1.6
265.11798	25.9
271.10696	5.1
272.09207	4.0
287.10049	1.5
289.11777	26.0
290.10272	1.3
293.24405	1.0
294.09814	1.2
303.13361	1.7
305.11218	3.4
307.12863	42.0
317.11420	1.8
323.12378	5.9
330.10648	1.6
331.12857	1.4
337.13977	1.8
348.11853	11.6
349.13895	30.1
355.12866	1.3
365.18713	1.4
367.14990	1.8
373.13867	8.2
379.15210	1.6
391.14923	22.2
391.19632	2.1
397.13840	2.3
405.16577	1.9
409.15924	10.1
415.14951	17.7
433.16049	93.2
449.15363	2.0
451.17065	100.0
474.15332	2.5
479.10406	1.3
491.20337	1.3
492.15881	9.9
509.22552	1.9
510.17142	30.8
527.22699	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	527.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	0.5
53.04096	0.2
55.01783	0.7
55.02030	0.3
55.05425	0.8
57.03343	1.0
57.06997	0.3
59.04936	0.3
61.02835	0.9
65.03876	0.3
67.05400	1.4
69.03323	3.5
69.04097	0.2
69.06963	0.9
71.01289	0.3
71.04910	0.5
71.63392	0.2
73.02844	0.4
79.05388	1.2
81.03304	1.9
81.06947	2.8
83.04878	0.8
83.05322	0.2
83.08504	0.3
85.02789	5.5
85.06447	0.5
87.04409	0.5
90.81181	0.2
91.03864	0.4
91.05364	1.5
93.06928	1.7
93.07537	0.4
95.04850	2.0
95.08488	1.7
97.02773	3.4
97.06409	0.7
97.10072	0.3
99.04398	0.6
101.02293	0.3
103.03861	0.3
105.07010	2.1
107.04938	2.1
107.08575	1.5
109.02752	1.0
109.06491	1.1
109.10158	1.2
111.04388	0.6
115.03785	0.4
115.05363	0.4
117.06882	0.7
119.04799	1.0
119.08559	1.6
121.02879	1.3
121.06377	0.7
121.10126	1.3
123.04296	0.5
123.07969	0.4
123.11561	0.7
125.05843	0.8
125.09505	0.3
127.03886	2.2
128.06096	0.4
129.06898	0.5
131.04810	1.0
131.08530	1.2
133.06329	0.7
133.09999	1.0
135.07979	0.6
135.11569	1.0
137.05840	0.8
137.13150	0.2
139.03809	0.4
142.07646	0.5
143.08408	0.7
145.02678	0.2
145.06351	0.5
145.10112	2.0
146.26546	0.3
147.04404	1.2
147.07921	0.7
147.11530	0.7
149.05916	0.3
149.09595	0.6
149.13153	0.5
151.03818	0.3
151.07414	0.4
151.10982	0.3
153.01692	0.7
153.05305	0.7
153.06676	0.2
155.08488	0.5
157.06331	0.6
157.10043	0.4
159.07930	0.4
159.11571	0.8
161.05879	0.6
161.09547	0.5
163.07375	0.3
163.11044	1.0
163.14731	0.2
167.06937	0.9
167.08252	0.3
169.04854	0.3
169.06316	0.3
169.09950	0.4
171.07861	0.4
171.11557	0.5
173.05872	0.3
173.09496	0.6
173.13158	0.3
175.11107	0.5
177.05423	0.2
179.08417	0.3
181.04771	0.2
181.12120	0.3
182.07127	0.3
185.05850	0.6
185.09470	0.3
187.11058	0.7
189.05307	0.3
189.09015	0.5
191.10609	0.5
195.07954	0.4
197.05914	0.4
197.09492	0.6
197.18903	0.3
199.07442	0.6
201.12584	0.2
203.10524	0.3
205.08447	0.3
205.12086	0.5
209.11545	0.5
210.06587	0.2
211.07460	0.6
213.05435	1.6
213.12367	0.4
215.08426	0.3
215.10547	0.7
219.17493	0.3
229.04787	0.3
229.08458	0.8
233.11642	0.6
234.10278	0.3
239.07008	0.3
241.76311	0.2
245.09550	0.3
247.07449	0.3
249.09053	0.3
251.12677	0.4
258.10541	0.5
261.08984	0.5
262.09763	0.4
265.08588	0.3
273.18378	0.4
275.10547	0.4
276.11398	0.5
277.08490	0.5
286.09467	0.4
287.10510	0.5
289.08591	1.2
290.09314	0.7
291.10022	0.7
291.13605	0.8
293.07971	1.0
295.05902	0.4
301.12061	0.4
303.07043	0.3
303.10092	1.5
304.10974	0.8
305.07990	1.5
305.11655	0.8
306.08826	0.4
317.08054	2.8
318.08795	3.7
319.06079	0.5
319.09692	4.6
319.13266	1.0
320.10330	0.4
321.11011	0.9
329.11710	0.8
331.09610	8.4
332.10382	4.6
333.11111	0.8
334.08276	0.7
335.09232	0.5
337.10748	0.3
337.14343	1.0
345.11298	1.1
347.09106	1.4
347.12732	20.3
347.21582	1.1
348.13177	0.4
349.10657	1.7
350.07785	0.3
350.11456	4.2
365.10452	5.4
365.13815	100.0
366.10291	0.3
366.14157	2.6
384.15265	0.3
389.13995	0.9
393.13373	0.3
407.14893	3.6
429.30072	0.3
473.29391	0.7
491.30276	1.1
509.30554	0.4
527.19196	66.9
528.19476	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	527.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.0
55.05480	2.0
57.03408	1.0
57.07044	0.6
59.04982	0.7
61.02896	0.5
61.76976	0.4
64.54693	0.5
65.03909	0.6
67.05491	3.7
67.59185	0.5
69.03432	4.1
69.07059	2.8
70.06548	0.7
71.04978	0.6
71.62814	0.9
72.08128	1.2
79.05474	2.3
81.03419	2.9
81.07051	7.6
83.01302	0.5
83.04964	2.6
83.08571	0.6
84.08085	0.5
85.02879	2.7
85.06513	1.0
89.03861	0.6
91.05459	2.6
93.07031	4.4
95.04951	2.5
95.08590	4.2
97.02879	5.9
97.06486	1.6
97.10130	0.5
99.04413	1.6
99.08057	0.7
105.07016	4.4
107.04899	1.7
107.08605	3.6
109.02834	2.0
109.06483	2.1
109.10125	4.2
111.04382	1.3
111.08054	0.7
115.03886	0.8
115.05398	0.6
117.07000	2.4
119.04883	1.0
119.08572	2.7
121.06422	1.5
121.10132	3.3
123.04396	1.5
123.08100	0.7
123.11696	2.4
125.05964	1.6
125.09604	0.7
127.03929	3.6
128.06140	0.6
129.06943	1.9
131.08514	1.7
133.06416	0.9
133.10118	2.3
135.04410	1.2
135.08015	1.1
135.11644	1.7
137.02304	1.4
137.05928	1.1
137.09555	1.0
139.03847	1.0
139.07510	0.7
139.11191	0.6
141.05504	0.9
141.06923	0.6
143.08493	1.4
143.10678	0.5
145.04834	0.5
145.06461	1.4
145.10118	3.7
147.04451	2.4
147.08020	0.9
147.11642	1.5
149.05946	0.6
149.09647	0.6
149.13252	0.7
151.03836	1.1
151.07513	1.5
151.11192	0.6
153.05432	1.7
153.06895	0.9
157.06447	1.6
157.10043	0.9
159.04442	1.0
159.08034	1.1
159.11659	1.9
161.02310	0.9
161.06017	0.6
161.09607	0.9
161.13185	0.9
163.11119	2.1
165.09105	1.0
167.06953	1.9
169.04970	1.1
169.06384	1.1
171.04414	0.7
171.11647	0.7
173.09552	1.0
175.07449	0.6
175.11069	0.6
177.05344	0.5
181.06395	0.8
181.08479	0.6
185.05956	1.3
185.09671	0.7
187.11139	2.3
189.05489	2.6
189.09093	0.7
191.10588	1.6
191.14365	0.5
193.08594	0.7
195.02838	1.0
197.04475	0.8
202.07773	1.8
203.06966	0.8
203.10696	0.7
205.12253	1.4
207.02919	0.6
213.05499	2.9
213.12395	0.6
215.10715	2.4
217.08318	0.9
217.08922	0.5
217.10266	3.2
219.08035	0.8
219.10068	0.6
231.06512	1.5
233.11740	1.4
234.43201	0.6
235.11195	0.5
245.09627	5.6
248.08289	1.6
251.12932	0.5
258.06558	0.6
263.10620	0.9
273.09137	2.1
275.07098	1.4
276.07703	1.1
277.08475	0.7
291.10181	3.0
293.07910	0.6
295.05978	0.7
301.08582	2.1
304.07187	0.5
305.07727	0.7
307.05908	0.6
308.06656	0.7
311.05460	13.5
319.09616	14.7
321.07474	1.1
322.08517	0.8
323.05475	2.8
323.09082	4.0
325.07001	0.8
329.08044	1.4
329.13885	0.6
330.09042	0.6
337.07050	0.5
339.18201	0.7
347.09116	62.0
348.09424	0.6
349.06879	1.5
349.16089	0.6
350.07928	2.9
361.27130	0.6
365.10168	92.3
366.10519	1.3
395.16818	0.5
411.28754	0.6
429.30243	0.7
461.29391	0.6
473.28787	2.4
491.30353	2.4
509.14410	1.7
509.31247	1.1
527.15430	100.0
528.15656	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	527.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28856	0.2
55.05506	4.0
56.05806	0.3
57.03388	0.3
57.07045	0.4
62.54858	0.3
67.05457	1.1
69.03381	0.9
69.07022	0.9
70.06593	0.4
70.54385	0.7
72.08121	0.6
79.05437	0.7
81.03373	0.5
81.07051	1.9
82.06540	0.7
83.04932	1.0
83.08619	2.4
84.08108	0.5
85.02852	0.4
85.06495	0.8
85.63383	0.3
87.41051	0.2
91.05439	0.8
93.07021	1.3
95.04890	0.8
95.08577	0.7
97.02894	1.3
97.06494	0.6
98.09670	0.4
98.20806	0.3
99.04440	0.3
100.07596	1.9
100.11251	11.0
101.05983	0.3
101.11527	0.9
105.06955	1.1
107.04897	0.6
107.08523	0.9
109.02827	0.4
109.06425	0.5
109.10084	0.9
110.06074	0.4
111.03809	0.2
111.04430	2.7
111.08035	0.3
112.07532	0.8
117.07007	0.4
119.04895	0.4
119.08549	0.5
121.02797	0.7
121.06440	0.4
121.10139	0.6
122.10424	0.3
123.11624	0.4
125.09642	0.3
126.09167	0.5
127.03894	0.7
127.08641	0.4
128.07066	1.8
131.04889	0.5
131.08469	0.3
133.10030	0.4
135.07921	0.3
135.11641	0.5
137.05907	0.7
137.09525	0.4
139.07541	0.2
139.08615	0.5
140.06981	0.9
140.59291	0.2
141.06989	0.3
141.11427	0.9
145.06461	0.3
145.10048	0.7
147.04381	1.4
147.11603	0.3
149.09546	0.3
149.13258	0.6
151.07452	0.4
155.11168	0.5
157.10001	0.3
159.11661	0.4
161.05893	0.3
161.09515	0.3
163.03751	0.3
163.11125	0.3
165.12582	0.2
167.06987	0.4
169.05093	0.3
173.05917	0.8
173.13208	0.3
177.09010	0.4
182.13815	0.5
182.15393	8.2
183.11633	0.3
183.15739	1.0
184.16168	0.2
187.11113	0.3
192.13812	0.4
192.83405	0.2
197.06120	0.3
199.18024	0.3
204.66472	0.4
205.12317	0.3
205.16600	0.4
209.16452	2.5
210.14885	9.1
210.16800	0.4
211.15205	1.5
215.10580	0.4
225.05431	0.3
226.19054	0.7
227.17491	1.1
228.15985	1.3
228.17842	0.3
229.04921	3.7
229.16037	0.3
243.06375	0.3
245.09381	0.4
245.18631	1.6
247.05917	1.5
263.10547	0.4
276.07889	0.3
277.08548	1.1
289.08417	0.5
290.09698	0.3
291.06482	1.9
291.10080	0.7
293.13364	0.2
301.08423	0.3
305.07980	1.8
306.08777	1.7
309.25101	0.2
317.07971	0.3
318.08902	0.3
319.05930	2.3
319.09656	1.2
320.06802	0.4
323.09244	0.6
326.27969	0.7
327.28134	0.4
331.74652	0.7
333.07483	1.8
334.08322	17.2
335.08975	0.3
336.22629	0.4
337.21201	1.1
338.21445	0.4
347.09113	28.5
348.09589	0.3
355.22336	0.8
365.10168	100.0
366.10513	0.8
381.29889	0.4
395.77734	0.3
404.78134	0.3
419.29681	0.3
444.83270	0.9
445.33115	1.0
446.56943	0.3
453.83383	1.2
454.33752	1.7
454.83835	0.5
471.35620	0.4
473.28763	0.4
508.36063	0.4
508.86404	0.5
517.36707	1.3
517.86670	1.9
518.37256	0.5
526.37164	1.1
526.88489	1.4
527.15460	80.7
528.15845	1.1
549.96570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.8
53.06691	0.3
55.01832	0.8
55.05455	1.7
57.03387	1.7
57.07037	0.8
59.04918	0.3
61.02884	0.5
65.03896	0.5
67.05506	2.8
69.03428	2.7
69.07063	2.0
71.04948	1.0
72.06909	0.3
72.08117	0.6
73.02859	0.7
79.05482	3.4
81.03410	2.2
81.07049	5.2
83.04910	1.5
83.08589	0.6
85.02891	3.0
85.06470	1.2
91.05444	2.7
92.99763	3.1
93.07030	3.7
95.04959	1.7
95.08605	3.4
97.02885	3.5
97.06445	1.7
99.04387	1.1
99.08008	1.0
100.69946	0.4
105.07030	3.8
107.04955	1.7
107.08602	2.4
109.02824	1.1
109.06497	1.8
109.10137	2.5
111.04397	1.0
111.08001	0.6
113.05965	0.4
115.03881	0.4
115.05423	0.6
117.06939	1.1
119.04888	0.8
119.08578	2.0
121.02859	0.4
121.06444	1.3
121.10134	2.3
123.04369	0.6
123.07982	1.1
123.11630	1.2
125.05906	0.7
125.09554	0.5
127.03886	2.3
127.07445	0.7
129.06985	1.8
131.04852	0.5
131.08490	1.5
133.06456	0.5
133.10098	1.7
135.04347	0.6
135.07976	1.1
135.11606	1.6
137.05902	1.5
139.03836	0.4
143.08559	0.9
145.04822	0.4
145.06413	0.7
145.10104	2.0
147.04318	1.1
147.07944	1.1
147.11607	1.6
148.05009	0.4
149.05914	0.7
149.09529	1.0
150.03059	0.4
151.03807	1.3
151.07446	0.9
151.11172	0.4
151.63277	0.4
153.05412	0.8
153.09106	0.3
155.04907	2.6
157.06491	1.9
157.10104	0.7
159.04350	0.4
159.07994	0.7
159.11636	1.5
159.65376	0.3
161.09534	0.4
161.13177	0.8
163.03880	0.8
163.07469	0.5
163.11102	1.4
165.05475	4.3
165.06802	0.5
165.12575	0.5
167.06973	1.1
169.04901	0.4
169.10028	0.6
171.04349	0.6
171.08046	0.4
171.11710	0.5
173.05927	1.0
173.09560	0.7
175.03893	0.7
175.07370	0.5
175.11136	0.8
177.05351	0.6
177.09064	0.6
177.12762	0.6
179.03369	0.5
179.10580	0.4
183.08017	0.4
185.04524	0.3
185.05966	2.5
185.13148	0.5
187.11119	1.4
187.14723	0.6
188.04605	1.0
189.05406	0.8
191.03371	1.0
191.10683	0.8
193.04872	1.2
193.10094	0.4
197.04373	0.5
201.05382	1.3
206.05708	1.0
213.05469	1.2
215.10718	0.5
216.04095	1.2
217.04924	0.8
221.09550	1.1
227.10521	0.5
229.04918	1.0
229.72769	0.6
233.11624	0.8
234.04855	0.4
234.06926	0.4
235.07646	0.6
237.05463	0.4
237.08974	0.6
238.09879	0.6
248.08310	1.6
249.09012	1.4
251.07045	0.8
253.04945	0.6
262.06308	0.5
263.06882	0.4
265.08615	3.2
266.09375	1.1
267.05765	0.4
270.99039	0.4
273.18442	1.4
275.07196	0.4
276.07846	0.8
277.08612	2.6
279.06552	2.1
281.04529	0.5
281.11679	1.6
282.05295	0.6
284.06644	0.7
287.06909	0.4
293.08093	4.5
294.08734	1.1
295.05957	1.0
297.07516	0.9
300.06177	1.7
302.93439	0.4
303.04938	5.1
304.07297	0.7
305.08099	2.5
307.05960	1.7
308.06699	0.7
309.03857	0.7
309.11227	1.6
311.05441	0.9
317.08472	0.8
319.09494	0.9
321.04346	0.5
321.07443	2.6
322.04767	1.2
322.08292	10.8
323.05673	0.7
323.09103	1.4
324.06271	3.9
325.07022	0.6
332.06577	0.8
333.07553	1.2
334.08240	1.1
335.05487	0.8
337.07080	1.2
337.10666	16.6
347.09045	4.2
347.22064	0.9
349.07004	1.4
350.07819	37.0
362.07813	1.2
363.08478	0.6
365.10162	100.0
365.22501	2.5
366.10376	1.3
377.10309	3.3
395.10818	0.5
407.11328	0.7
461.12189	0.9
473.12463	0.7
473.28400	0.6
491.13004	0.5
491.29889	1.1
509.14307	0.7
509.27573	0.7
527.15472	95.0
527.23877	7.0
528.15759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
65.03933	0.3
67.05477	0.2
69.03414	0.2
69.97868	0.8
70.06574	0.5
71.04983	0.2
72.07801	0.2
72.08150	2.1
73.02853	0.2
73.08493	0.2
79.05450	0.2
81.07031	0.2
83.04950	0.2
84.08134	0.3
85.02882	0.5
86.09702	0.2
89.10772	0.2
91.05453	0.5
92.05006	0.2
93.05781	0.2
93.07031	0.2
94.06015	0.2
94.06560	2.6
95.04952	0.1
95.08578	0.1
96.04485	0.5
97.02872	0.3
98.06033	0.1
99.04488	0.2
101.05992	0.2
105.06978	0.2
107.04910	0.1
107.08576	0.3
109.02853	0.2
110.06033	2.6
119.04935	0.5
121.10130	0.2
122.06062	0.2
123.08059	0.2
124.07598	0.2
127.03872	0.2
137.06071	0.1
138.05484	100.0
139.05820	0.7
146.11710	0.2
147.04387	2.1
148.04738	0.3
152.07179	0.2
167.07057	0.2
209.15355	0.1
218.11751	0.3
230.11812	0.2
235.14354	0.3
240.99069	0.1
260.14926	0.5
261.54083	0.1
402.95557	0.2
422.19763	0.2
490.18805	0.2
508.20114	0.5
526.26459	41.4
527.26782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57657	2.9
60.04512	11.5
69.03434	3.3
69.07059	12.1
71.62492	3.2
72.08153	17.2
83.31680	3.1
85.02901	12.7
89.10754	5.7
91.05463	3.8
97.02892	12.4
114.09201	5.7
115.03935	3.1
115.07575	7.7
118.06535	15.0
119.04953	9.9
124.02848	2.6
127.03931	7.5
132.08109	5.7
138.05486	22.3
142.06491	3.3
142.08611	23.6
143.07034	17.6
144.06554	6.4
144.08080	11.8
146.06003	58.9
147.04402	54.8
148.04747	5.7
154.39291	2.8
159.09187	4.6
160.09680	56.9
162.07620	4.7
174.20860	2.8
180.08684	4.6
184.09731	9.7
188.07047	100.0
202.10692	13.8
205.09700	46.7
235.14377	8.0
265.89297	2.7
277.64993	3.0
322.14920	20.3
364.18823	15.9
397.19443	5.9
526.25000	15.8
526.32751	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	526.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01103	0.3
55.05524	0.3
61.02918	0.3
69.03426	1.4
70.06581	1.1
70.90493	0.6
71.04983	0.3
72.08149	2.1
77.02647	0.3
78.03458	0.7
80.05027	0.3
81.03392	0.6
83.04973	0.4
84.08144	0.5
85.02908	2.7
86.06056	0.5
86.09710	0.5
87.04477	0.6
91.03373	0.3
91.05452	0.7
96.04493	0.4
96.94468	0.3
97.02888	70.4
98.03197	0.3
102.48452	0.3
104.10426	0.2
106.02911	4.6
107.04948	0.6
109.02846	0.8
110.02381	0.6
119.04951	1.5
124.03947	12.1
127.03911	100.0
129.10269	0.3
138.05492	0.4
145.04936	0.6
147.04395	7.2
147.05515	0.5
148.04715	0.5
152.07101	0.7
159.04430	0.9
167.07028	0.5
177.05420	0.7
185.06001	0.5
196.05992	0.4
200.09166	0.6
217.48215	0.3
218.11784	0.6
218.30997	0.3
220.06042	17.7
238.07103	6.7
243.06535	1.7
256.08130	1.3
289.09161	7.8
292.48297	0.3
305.36581	0.3
341.39212	0.3
400.12430	6.9
406.25778	0.3
509.29794	0.3
526.25500	0.4
526.32343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03781	2.3
53.03937	5.4
55.05510	16.7
57.03425	4.2
57.07069	7.0
60.37209	2.1
67.05502	26.0
69.03416	9.2
69.07063	27.7
69.32052	9.7
69.32475	15.5
70.06590	4.5
71.04964	5.8
72.08151	7.0
79.05489	16.6
81.03411	5.9
81.06570	5.3
81.07049	100.0
83.04982	4.2
83.08611	15.0
85.02902	21.5
85.06541	25.2
86.09705	2.6
91.05479	11.1
93.07040	33.3
95.04963	7.6
95.08600	88.8
97.02895	8.1
97.06516	6.0
97.10149	11.6
98.20773	4.9
99.04453	3.5
99.08089	20.3
105.07023	14.0
107.08586	37.7
109.02859	7.1
109.10144	70.8
111.08064	7.5
111.11713	7.3
113.09640	7.6
119.04968	3.4
119.08575	11.8
119.80793	2.2
121.10134	29.3
123.08037	2.1
123.11691	40.8
124.07581	2.6
125.09573	4.4
127.03904	15.0
127.11189	4.9
128.07059	3.3
130.49936	2.0
132.16252	2.1
133.10095	13.7
135.11700	30.2
137.05986	3.3
137.13223	19.2
139.11230	4.6
140.07053	2.4
145.04918	6.0
145.10080	4.2
147.04399	18.4
147.11708	9.9
149.13240	41.1
151.14774	3.3
153.01804	3.3
153.12808	3.4
159.11630	3.6
161.13254	8.4
163.14777	26.5
165.16409	4.2
167.07042	4.8
167.14287	4.5
175.14844	3.4
177.05504	3.0
177.16364	16.1
179.17978	4.9
184.29630	2.1
189.16354	3.9
190.66763	2.4
191.10620	2.2
191.17917	10.4
195.17461	3.9
197.11699	6.3
197.19075	2.3
203.17952	6.1
205.19487	4.9
209.19048	4.5
217.19547	9.5
223.20554	2.7
235.14427	3.7
235.20546	6.7
247.24269	3.8
261.25745	2.5
265.25342	3.5
273.07556	3.7
273.25790	25.7
279.26843	6.0
291.26825	64.4
309.27823	31.7
327.28891	6.2
390.81656	2.2
475.64331	2.9
525.23230	25.4
525.33521	4.9
526.23291	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	525.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37834	0.3
53.03930	0.4
55.01859	0.5
55.05268	0.3
55.05507	4.5
57.03407	0.9
58.06604	2.2
59.04984	0.7
65.03918	0.6
66.62675	0.3
67.05489	0.5
69.03416	2.5
69.07053	0.6
70.06573	1.2
71.04967	0.9
71.09061	0.7
71.09426	0.7
72.08153	6.6
73.02895	1.2
73.06547	0.7
81.03443	1.6
81.07029	0.4
83.04979	2.3
84.08138	27.0
85.02412	0.6
85.02895	5.9
85.06525	1.1
86.06027	0.3
86.09681	0.7
87.04453	0.8
89.10796	0.4
90.09184	2.7
91.05467	5.1
93.07050	0.3
95.04944	0.5
97.02879	2.6
97.06500	0.4
98.06042	0.9
98.09674	0.6
99.04441	0.9
100.11240	1.2
101.06003	10.9
107.04929	0.6
109.02863	1.7
110.02390	0.3
111.04411	0.8
114.09113	0.6
115.75441	0.4
119.04932	17.5
121.06478	0.9
127.03917	5.0
128.10699	13.5
131.04904	0.8
137.05927	0.5
138.05470	1.0
139.05818	0.5
145.04980	0.4
146.05957	0.4
146.11743	7.8
147.04395	100.0
148.04741	0.6
149.05998	0.8
150.05478	0.4
167.07051	0.5
171.04401	0.5
185.02907	0.3
188.12798	0.6
189.05397	1.0
215.79073	0.3
218.11774	0.9
225.14931	0.5
230.13829	0.6
235.14380	0.6
236.12813	2.2
254.13882	0.9
267.02094	0.3
272.14917	3.4
290.15976	17.6
303.08838	0.3
333.72272	0.3
436.19684	2.3
499.98593	0.4
525.28070	99.5
526.28540	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	525.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55721	0.9
55.01860	2.5
55.05502	3.3
57.03421	1.0
59.91807	0.9
60.05636	1.4
69.03419	2.8
70.06590	17.3
71.04999	2.2
71.53992	1.3
72.08151	79.6
79.05489	1.2
80.05029	0.9
81.03418	1.5
84.08125	3.3
85.02900	5.7
86.06075	2.1
86.09692	6.6
87.84863	0.9
89.10789	6.5
91.05476	7.4
95.01305	2.5
95.04950	1.2
97.02336	0.9
97.02882	4.9
97.07644	2.1
98.06044	3.8
101.02390	0.9
103.12351	1.0
107.04952	4.8
109.02886	2.6
110.02403	6.2
110.07137	1.0
111.04457	0.9
114.10296	5.7
115.08672	3.6
119.04942	20.6
121.02847	2.2
121.06463	1.6
123.04440	2.0
126.09110	1.0
127.03878	3.0
128.11801	1.7
131.04927	1.0
131.12897	1.7
133.06453	1.1
135.04436	1.5
136.07626	1.4
138.05501	2.0
138.09125	1.4
139.03929	1.4
145.06476	2.7
146.05983	1.3
147.04401	100.0
148.04774	1.4
149.05994	1.6
151.03856	1.7
152.07056	5.5
155.03401	1.2
155.11852	1.4
160.07573	1.7
161.05986	1.1
163.03906	2.4
166.04984	1.1
166.08604	1.1
167.07010	1.0
169.09769	1.5
171.02930	0.9
173.05966	2.6
176.06938	1.0
177.05495	1.9
188.07112	7.4
194.09390	1.2
197.05948	1.2
199.07536	1.0
202.05028	1.5
215.06935	1.0
217.13466	1.7
218.11746	6.2
229.10886	1.2
230.11765	13.2
235.14410	5.5
239.07043	1.1
243.06641	1.3
246.11148	1.1
247.14362	11.1
255.06369	1.2
256.09702	3.3
256.15591	1.9
277.16644	1.2
296.12866	1.2
301.15433	2.1
348.08737	1.0
366.13257	2.1
405.16623	2.5
447.17493	1.2
453.16605	1.5
454.14798	2.7
463.20828	2.2
469.28189	1.6
471.17538	9.6
472.16226	5.1
481.22794	1.4
489.18668	25.7
507.12738	1.8
507.19827	28.9
508.28964	1.4
525.20624	69.7
525.31573	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.6
57.07074	0.2
67.05495	1.1
67.65965	0.2
69.07059	1.0
70.69275	0.4
70.69633	0.5
73.44096	0.3
79.05483	0.5
81.07053	2.6
83.08589	0.5
85.02879	0.4
85.06544	1.1
90.22525	0.3
91.05484	0.3
93.07034	1.1
95.08589	2.0
97.10181	0.3
99.08068	0.8
105.07022	0.4
107.08601	1.4
109.10138	1.3
113.02154	0.4
119.08538	0.3
121.10130	1.1
121.57172	0.2
123.11703	0.9
127.03838	0.3
130.13846	0.2
133.10118	0.3
135.11597	0.4
137.13316	0.3
147.04413	0.6
149.13274	1.0
163.14824	0.7
166.89612	0.2
169.04729	0.7
176.04431	0.4
177.16429	0.3
185.04169	0.9
187.05756	0.2
195.17513	0.5
201.05293	0.8
207.06506	0.3
212.95975	0.2
213.18529	0.9
216.07555	6.8
217.08339	2.2
229.06877	0.6
266.84195	0.2
291.26785	0.9
299.08682	0.4
309.27841	0.9
315.10425	0.4
327.29025	0.8
331.09970	3.6
379.13593	2.6
454.14059	0.3
525.19403	100.0
526.19543	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	525.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.3
55.01821	0.5
55.05476	0.5
57.03421	0.9
61.02861	1.0
67.05443	1.0
69.03423	1.4
69.07007	0.6
73.02847	0.4
79.05414	0.7
79.62205	0.2
81.03411	1.0
81.07053	1.4
83.04922	0.6
83.08582	0.2
85.02902	2.1
89.49831	0.2
91.03912	0.4
91.05457	1.4
93.03384	0.3
93.07027	1.0
95.04886	0.5
95.08535	0.6
97.02865	1.0
97.06458	0.3
97.10135	0.3
98.21504	0.4
99.04411	0.4
105.07012	1.1
107.04970	1.0
107.08512	0.7
109.02808	0.7
109.06429	0.4
109.10090	0.6
111.04378	0.4
117.06959	0.3
119.04961	1.0
119.08509	0.7
121.02857	1.1
121.10059	0.7
123.04376	0.3
123.08001	0.2
127.03915	1.0
129.06920	0.2
131.08463	0.6
133.02773	0.2
133.06429	0.3
133.10042	0.6
135.04291	0.2
135.08020	0.4
135.11635	0.5
145.04820	0.3
145.06467	0.3
145.10033	0.4
147.04382	0.4
147.08012	0.3
147.11639	0.4
149.13199	0.2
151.07390	0.3
153.01807	0.3
159.08018	0.4
159.11617	0.4
161.02333	1.7
161.13219	0.3
163.11116	0.3
167.03365	0.4
167.06990	0.4
167.08430	0.4
171.11699	0.2
175.11157	0.3
177.12671	0.3
179.03336	0.3
187.14806	0.2
189.00224	0.4
189.01813	5.5
189.09041	0.2
191.03394	0.2
191.14226	0.2
195.08025	0.6
205.15906	0.3
207.02872	6.9
213.01764	0.2
223.07516	0.6
229.64873	0.3
233.05905	0.3
233.15387	0.6
247.09631	0.2
251.06960	0.6
261.18350	0.4
271.16965	0.4
279.06488	1.0
289.17941	2.3
304.65207	0.2
307.05963	100.0
308.06277	0.8
327.18158	0.2
349.06931	1.3
363.12326	1.5
363.21521	1.5
379.11826	0.3
459.41553	0.2
469.11267	47.9
470.11987	0.4
507.29904	0.4
525.17596	11.0
525.30261	0.6
553.23383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01860	0.3
55.05496	0.8
57.03426	0.5
67.05502	0.7
67.15585	0.2
69.03422	1.4
69.07074	1.1
70.06571	0.5
70.84456	0.2
71.04978	0.4
71.61850	0.3
72.08137	0.6
73.02882	0.2
78.93373	0.2
79.05482	0.7
81.03421	0.6
81.07050	2.6
83.04958	0.5
83.08589	0.4
84.08148	0.4
85.02892	2.0
85.06538	0.6
86.09683	0.3
91.05482	0.7
93.07036	0.6
94.06573	0.2
95.04951	0.4
95.08599	2.0
97.02885	42.2
97.06537	0.6
97.10130	0.3
99.08091	0.7
105.03374	2.2
105.07023	0.7
107.04976	0.3
107.08577	1.5
109.02869	0.9
109.06511	0.4
109.10148	1.6
110.77093	0.2
111.11762	0.3
119.04947	0.2
119.08583	0.7
121.02890	0.3
121.10149	0.9
123.04442	0.3
123.11692	0.7
127.03905	100.0
128.04242	0.5
133.10124	0.9
135.11720	0.5
136.07628	0.2
137.05968	0.5
137.13249	0.4
145.04964	0.5
145.10123	0.3
147.04427	0.8
147.11728	0.5
149.13255	1.0
153.01851	0.3
153.12633	0.3
163.14844	0.4
167.07176	0.5
177.16379	0.3
178.05025	0.3
191.17905	0.2
206.04556	0.4
207.04794	0.4
208.16743	0.2
219.06497	0.6
237.07584	0.6
275.07629	0.3
289.09131	3.5
291.26721	1.2
309.27829	1.1
327.29037	0.7
335.09512	1.0
458.94876	0.2
525.23077	8.6
525.33942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.371
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.35125	0.3
55.05484	0.5
56.05027	1.1
56.64685	0.3
56.99555	0.3
57.03425	0.3
57.07071	3.3
58.06596	1.4
60.08161	16.2
61.57437	0.4
67.05495	0.6
69.07045	0.7
70.79632	1.0
71.07371	7.3
71.08634	1.7
81.03400	0.4
81.07053	1.2
83.08637	0.4
85.10168	1.3
86.09700	51.2
93.07024	0.5
95.08599	1.3
98.98457	3.9
104.10738	100.0
105.06954	0.3
105.35831	0.3
107.78568	0.3
109.10127	0.7
113.91972	0.3
125.00000	29.3
143.01001	0.8
143.16873	0.3
163.01514	0.4
181.02629	0.4
184.07329	93.9
258.11047	1.0
267.16006	0.3
268.16251	0.4
314.27682	0.4
331.17090	0.4
341.30521	1.4
506.35959	9.1
507.23318	0.4
524.37103	43.1
525.37518	0.7
542.53357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.3
57.07073	5.2
59.81508	0.9
62.05779	1.3
62.06087	23.0
67.05496	3.9
67.49208	0.8
69.07069	7.6
71.08276	0.7
71.08636	4.7
75.81564	0.8
78.06062	0.8
78.06593	0.8
79.05473	3.2
81.07059	11.3
83.08611	7.5
85.10193	2.7
86.06094	1.3
88.04008	1.2
91.05463	2.9
93.07033	6.2
95.04935	0.8
95.08597	13.5
97.10179	5.6
98.06040	0.9
98.21624	1.2
105.07012	7.0
107.08599	8.6
109.10151	7.0
111.04424	1.2
111.08082	1.3
111.11714	2.3
112.07619	1.0
117.07018	2.0
119.08571	5.6
121.10164	5.3
123.11704	2.9
126.09138	1.5
128.07077	3.9
129.07008	1.5
130.07617	0.9
131.08586	4.7
133.10121	7.8
135.11685	4.1
137.13239	1.7
143.08569	2.5
144.10277	1.1
145.10124	8.3
147.11713	5.8
149.09619	1.0
149.13249	3.2
151.07646	0.9
155.08536	1.5
157.10121	1.9
159.11636	4.4
161.09663	1.1
161.13268	3.7
163.14835	2.1
169.10178	1.0
171.11670	2.5
173.09618	5.6
173.13239	2.3
175.11179	1.7
175.14821	1.0
185.13245	4.4
187.11064	1.0
187.14838	1.7
189.16396	1.4
191.10640	1.5
199.11159	1.7
199.14879	2.3
201.12820	1.0
205.12181	1.2
207.21126	1.0
213.12769	0.9
213.16380	1.4
227.14386	1.5
231.13676	1.3
245.15495	1.1
251.17819	0.9
287.20093	1.7
287.27191	1.4
344.21768	0.9
353.32059	1.4
395.32983	6.0
413.34140	11.1
438.37085	3.0
456.38373	19.0
474.39432	100.0
475.39520	2.4
492.40488	30.8
493.40457	1.2
506.42184	7.8
524.43103	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01852	0.2
55.05499	0.5
57.03432	0.1
67.05493	0.4
69.03422	0.9
69.07063	0.3
69.29457	0.1
69.44035	1.2
71.04981	0.1
72.08137	0.3
79.05493	0.5
81.03419	0.4
81.07060	0.9
83.04948	0.3
83.08608	0.2
84.08133	0.4
85.02893	0.7
85.06536	0.2
88.42329	0.1
91.05470	1.1
92.05814	0.1
92.69581	0.1
93.07064	0.8
94.07402	0.2
95.04961	0.8
95.08609	1.2
96.04438	0.2
96.08971	0.2
97.02886	100.0
98.03217	0.3
101.07093	0.1
105.03382	6.8
105.07014	0.5
107.04974	0.2
107.08585	0.5
109.02870	0.4
109.06546	0.2
109.10166	0.5
111.04430	0.3
114.05508	0.5
116.98569	0.1
117.07013	0.2
119.04963	0.2
119.08561	0.6
120.08894	0.3
121.06544	0.2
121.10146	0.5
123.04445	0.3
123.11703	0.3
126.09133	0.3
127.03951	0.6
128.98610	0.2
130.02321	0.1
131.08580	0.3
133.10117	0.3
135.11720	0.2
137.05942	0.7
145.10159	0.4
146.99576	0.1
147.04416	0.5
147.11705	0.3
149.13249	0.2
153.01820	0.3
154.08646	0.3
157.10124	0.3
159.11732	0.3
167.07056	0.3
173.13257	0.3
177.16281	0.2
189.00624	0.3
189.16330	0.2
191.17918	0.6
193.08641	0.2
203.18021	0.2
219.06531	3.6
229.15854	0.2
236.66132	0.1
237.07558	5.7
237.09970	0.3
244.17603	0.1
254.10378	0.2
256.14014	0.1
367.20651	0.1
381.11832	0.6
437.34088	0.2
451.07404	0.9
465.09476	0.2
506.34866	0.3
511.09799	0.3
524.15839	0.3
524.34601	0.5
526.46082	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	524.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01865	1.3
56.16701	0.4
57.03425	1.4
65.03937	1.2
66.04719	0.4
67.05494	0.7
69.03425	1.8
71.05009	0.4
73.02904	0.4
75.04474	1.6
77.03919	0.5
78.04713	1.1
79.05482	5.3
81.03410	0.6
81.07056	0.7
85.02894	2.1
86.11469	0.3
87.04456	0.5
89.03934	0.6
90.04700	0.5
91.05473	7.1
92.06288	0.5
93.03392	4.5
93.07022	2.3
95.04969	2.9
95.08598	0.6
97.02898	1.0
97.06522	1.0
98.21523	0.6
101.44405	0.3
103.05457	8.3
104.06223	0.7
105.03427	0.4
105.07025	15.6
106.04164	8.0
107.04955	4.3
107.08599	0.7
108.05724	0.5
109.02863	1.5
109.06514	1.9
111.04394	0.4
115.03934	0.6
115.05453	1.1
117.03390	1.1
117.06979	0.6
118.04152	17.2
119.04940	2.4
119.08592	0.5
120.05707	1.7
121.06494	12.9
122.07274	2.3
123.04413	1.1
123.08075	0.6
124.05206	8.2
125.05981	3.5
127.03955	0.8
131.04915	3.0
132.05690	1.2
133.04890	0.9
133.06480	22.9
134.03596	1.8
134.07227	2.4
135.04391	3.1
135.08055	4.5
137.05969	3.4
138.06773	0.5
139.07533	1.4
145.02853	2.4
145.04927	0.6
147.04408	1.1
148.05177	1.2
149.05974	19.0
149.13206	0.5
150.06757	10.6
151.07533	4.0
153.05396	0.6
153.09076	4.5
160.05226	0.3
161.05975	5.0
162.01335	0.8
162.06807	0.4
163.03922	1.5
163.07483	2.3
165.05464	0.5
165.09102	14.5
166.06189	0.5
167.07034	4.6
175.07495	0.9
175.14720	0.4
176.14998	0.3
177.05453	18.7
178.06212	0.6
179.01456	0.5
179.07010	0.8
179.10637	0.6
180.07770	0.6
181.08588	10.2
190.00809	0.5
191.06992	4.7
192.07794	1.3
193.08592	100.0
194.08871	0.8
195.06538	1.9
208.01910	0.4
209.08075	76.4
210.08565	0.7
211.16916	1.3
212.17258	0.9
223.04233	8.2
223.06267	0.6
229.67586	0.4
262.14297	3.4
285.11255	0.7
312.08942	1.3
353.13870	0.8
385.16452	1.6
525.09009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
51.74459	0.4
53.03941	1.2
55.01863	1.7
55.05499	0.5
57.03427	1.6
65.03924	1.3
66.04724	1.1
66.56544	0.4
66.74864	0.4
67.05502	0.8
69.03432	0.8
69.55379	3.6
75.04470	1.9
78.04694	1.2
79.05486	5.4
81.03391	1.0
81.07036	0.8
85.02893	2.1
89.03893	1.1
89.06007	0.4
90.04690	0.6
91.05475	7.9
93.03394	5.3
93.07053	2.5
94.04184	0.5
95.04966	3.6
97.02864	0.6
97.06504	0.9
103.05452	9.5
104.06245	0.6
105.07023	17.1
106.04163	10.7
107.04942	3.8
107.08591	0.9
108.05725	0.9
109.02864	1.8
109.06516	2.0
115.05437	1.3
117.03362	1.1
118.04153	18.9
119.04969	2.0
120.05731	2.3
121.06494	15.0
122.07320	2.0
123.04390	1.0
123.08074	0.8
124.05193	8.7
125.05977	4.1
127.03890	1.4
130.54370	0.4
131.04922	3.2
132.05696	1.7
133.06477	25.6
134.03607	1.9
134.07298	2.3
135.04405	3.5
135.08052	5.0
137.05957	4.8
138.06664	0.6
139.07520	1.2
145.02856	3.4
146.57770	0.4
147.04361	1.2
148.05177	1.7
149.05969	22.5
150.06747	9.8
151.07530	5.1
152.08261	0.4
153.09097	6.0
159.04353	0.5
160.05176	0.7
161.05974	5.8
162.01364	0.7
163.03885	2.5
163.07567	2.3
165.05463	0.5
165.09096	16.4
166.06219	0.5
167.07042	4.4
176.19992	0.4
177.05455	20.8
178.06213	0.8
179.07005	0.8
179.10686	0.6
180.07773	0.7
181.08578	12.3
190.00870	0.8
191.06995	4.3
191.10616	0.4
192.07813	1.7
193.08589	100.0
194.08955	1.4
195.06506	1.7
208.01842	0.9
209.08070	78.4
210.08478	0.7
213.05739	0.5
223.04202	7.5
262.14380	4.0
312.09061	0.7
315.12326	0.5
321.65875	0.4
353.13766	0.8
385.16245	1.5
525.08649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.7
57.03432	20.3
57.07066	28.3
59.98515	6.8
67.05499	18.2
68.14822	6.9
69.07076	9.8
69.29504	42.4
69.29927	40.9
69.58826	7.6
70.22379	7.4
71.08617	24.7
78.16283	6.7
79.05457	15.3
81.03407	85.5
81.07053	24.1
83.04942	9.4
83.08616	34.1
85.10203	9.8
91.05486	15.7
93.35818	7.4
95.04974	23.6
95.08602	27.0
105.07058	16.3
107.76347	6.6
109.10157	13.0
111.08085	12.9
117.90821	8.1
131.08609	9.5
135.11765	8.5
147.36192	6.8
150.51607	8.1
193.12184	50.6
211.13191	9.9
267.15903	100.0
313.27374	90.4
440.40674	8.6
505.38904	61.2
523.39185	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
54.08164	1.4
55.01880	2.1
55.05508	12.7
57.03434	19.6
57.07073	41.9
59.99788	1.4
67.05495	24.6
69.03419	1.8
69.07052	11.9
71.04994	3.6
71.07392	5.2
71.08629	27.6
71.44993	1.8
79.05490	16.0
81.03413	85.8
81.07051	27.7
83.04970	4.8
83.08615	25.3
85.02891	4.6
85.10181	16.3
86.09690	3.3
89.06055	1.9
91.05472	17.7
93.07036	10.3
95.04954	22.0
95.08604	27.7
97.06554	2.8
97.10159	5.9
104.10747	4.6
105.07011	13.8
107.04948	5.4
107.08592	4.5
109.06483	2.6
109.10143	13.7
111.08084	6.3
115.05518	2.1
119.08561	12.4
121.10123	7.8
123.08037	2.3
123.11716	4.3
129.07022	8.4
131.08565	7.2
133.06506	2.3
133.10129	4.1
135.11702	1.8
137.90839	1.7
145.10144	2.2
147.08041	2.8
147.11699	6.5
149.09583	3.2
157.10101	9.4
175.11172	7.9
184.07304	5.4
193.12216	44.3
211.13315	10.7
239.23727	4.6
249.14911	4.0
267.15894	100.0
268.16257	2.9
290.86667	1.6
313.27338	96.0
422.38113	1.9
505.38925	62.1
506.38907	2.1
523.39960	25.9
524.37250	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	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.05517	11.4
57.03429	5.6
57.07074	27.9
65.11402	1.6
67.05502	21.9
69.03410	2.8
69.07072	10.8
69.25313	1.6
70.85783	4.3
71.04996	3.6
71.08630	24.4
72.85295	1.6
74.81992	1.5
78.49744	1.5
79.05479	15.6
81.03410	29.7
81.07054	26.7
82.00973	1.7
83.04974	5.7
83.08617	21.7
85.02897	17.5
85.10188	10.1
91.05470	15.1
93.07052	11.0
95.04952	13.1
95.08601	23.8
97.02900	1.7
97.06503	1.9
97.10172	6.3
105.07014	12.2
107.04920	2.3
107.08601	5.0
109.06470	2.1
109.10131	10.2
111.08089	3.5
113.05995	2.6
119.08567	9.5
121.10148	5.6
123.11731	3.3
129.06963	4.1
131.08572	6.6
133.10126	5.5
137.13281	2.3
147.08052	1.6
147.11700	6.5
149.09705	3.0
157.10152	7.3
175.11156	9.2
183.90302	1.9
193.12236	30.5
193.13828	2.5
211.13283	37.8
211.15263	2.6
239.23759	5.0
264.75269	1.6
267.15927	7.4
307.77625	1.6
310.17184	1.7
313.24100	2.2
313.27182	9.7
341.55966	1.7
505.38824	4.7
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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01859	1.6
55.05508	11.7
57.03434	5.5
57.07074	30.9
65.03931	1.1
67.05502	21.9
67.05864	1.1
69.03420	2.5
69.07074	8.5
70.00906	3.0
70.01325	1.6
71.04998	3.7
71.08631	21.4
79.05494	11.7
81.03413	32.6
81.07056	25.9
83.04965	4.9
83.08131	1.5
83.08614	21.7
85.02908	15.9
85.06525	2.3
85.10178	12.7
89.40454	0.7
91.05471	15.0
93.07042	8.8
95.04964	12.7
95.08603	22.2
97.02881	0.8
97.06509	2.3
97.10169	6.4
98.21466	1.3
99.08083	1.1
105.07021	12.2
107.04963	3.0
107.08607	3.8
109.06511	2.3
109.10147	9.6
111.04427	1.0
111.08075	5.2
111.11741	0.9
113.05989	1.3
117.07011	1.2
119.08578	9.6
121.10156	5.3
123.08099	1.6
123.11700	3.4
125.09630	0.8
129.07005	5.8
131.08575	5.1
132.81734	0.7
133.06508	1.3
133.10152	4.4
137.09558	1.1
137.13246	1.6
142.07823	1.1
147.08046	1.9
147.11670	6.9
149.09599	3.5
157.10110	6.9
165.12785	1.8
175.11180	8.9
193.12242	29.8
211.13297	32.7
239.23660	5.8
267.15915	9.7
313.27356	9.0
462.76208	1.0
505.39038	3.9
512.48041	0.9
523.39929	100.0
524.40265	3.6
531.19946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26780	3.9
54.69302	3.7
55.05504	15.1
57.03429	8.6
57.07068	35.2
63.47795	3.7
67.05507	37.9
69.07063	13.0
69.98325	14.6
69.98734	7.1
71.08619	27.7
79.05487	28.0
81.03419	36.4
81.07066	42.8
83.04958	12.5
83.08612	21.0
85.02912	23.0
85.10203	18.5
91.05473	30.1
92.24738	4.2
93.07037	17.5
95.04966	14.9
95.08606	27.0
97.10165	4.4
105.07030	20.7
107.04963	6.0
107.08602	8.1
109.06496	4.5
109.10166	12.1
111.08101	9.3
119.08588	14.1
123.11715	7.0
129.06984	12.4
131.08560	9.5
133.10124	13.2
135.22533	3.7
143.22517	3.6
147.11665	11.8
149.09525	3.5
150.37584	3.8
157.10155	12.1
163.44139	4.0
175.11198	16.5
193.12239	37.2
211.13274	35.7
215.22665	3.6
226.54727	3.7
239.23764	4.2
262.38574	4.0
267.15881	42.1
313.27457	27.5
505.38800	19.9
512.95685	4.1
523.32672	7.3
523.39996	100.0
524.39893	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01868	0.7
55.05501	4.4
55.63342	0.5
57.07066	1.5
63.25259	0.5
65.03922	1.2
67.05498	6.3
69.03411	3.0
69.07066	5.0
71.04990	0.8
71.62748	0.6
72.08151	1.5
77.03922	0.7
79.05492	5.0
81.03400	2.7
81.07051	14.1
83.04973	2.2
83.08606	2.6
84.08174	0.5
85.02897	2.7
85.06531	1.1
87.00810	0.9
91.05466	7.4
92.07126	0.6
93.07042	9.4
94.60521	0.6
95.04967	4.5
95.07978	0.6
95.08602	18.4
97.02886	100.0
97.06506	1.6
97.10168	1.4
99.04463	1.1
103.05468	0.7
105.03388	6.2
105.06367	1.0
105.07025	11.9
107.04968	1.1
107.08589	11.6
109.02863	2.1
109.06509	1.9
109.10147	8.8
111.04430	1.1
113.09625	0.6
114.05474	0.5
115.04039	0.7
117.07023	3.1
119.04933	1.1
119.08578	12.6
121.06500	1.7
121.10138	7.9
123.04424	0.9
123.08069	1.8
123.11711	3.4
125.02366	0.6
125.05956	1.0
125.09606	0.8
127.03917	3.3
127.07596	0.6
128.06216	2.0
129.06993	2.2
130.07742	1.1
131.08545	7.0
133.06482	1.6
133.10126	6.3
135.08095	1.3
135.11679	4.2
137.05954	2.8
137.09598	1.5
137.13245	2.3
141.07013	0.8
142.07753	1.6
143.08565	5.7
144.09344	1.4
145.04929	0.6
145.06528	0.8
145.10117	12.2
147.04404	2.7
147.08031	3.3
147.11668	7.1
149.05951	0.6
149.09641	1.3
149.13246	3.4
151.03879	1.4
151.07547	1.2
151.11159	0.7
154.07753	0.8
155.08485	3.1
156.09346	1.6
157.10117	5.0
158.10825	0.6
159.08060	1.0
159.11688	10.5
161.05974	1.0
161.09586	1.0
161.13232	3.7
163.03976	0.7
163.14841	1.6
165.12796	0.7
167.07045	2.6
167.08430	1.1
169.10028	3.5
171.11681	4.1
171.54056	0.5
173.09583	2.2
173.13257	4.3
175.07684	0.5
175.11191	2.5
175.14850	2.5
177.05373	0.8
177.16418	1.7
181.05089	0.7
181.10104	1.2
182.10876	1.6
183.11740	3.4
185.13242	3.9
187.07545	0.7
187.11160	2.7
187.14819	3.3
189.12726	2.1
189.16388	4.6
191.10823	0.6
191.14313	1.0
191.17911	9.4
193.08595	0.7
195.11734	0.8
197.13306	3.0
199.14856	2.6
201.12769	2.1
201.16379	8.3
203.14436	0.7
203.17934	5.4
205.74075	0.6
209.13246	0.6
211.14891	3.9
213.16388	1.1
215.14334	2.4
215.18028	1.6
217.15808	1.4
217.19583	0.6
219.06483	4.1
223.14891	1.2
225.16434	0.7
227.17886	0.6
229.12212	0.7
229.15833	8.4
229.19466	1.0
231.21208	1.0
237.07549	6.4
237.16327	0.6
241.19521	0.6
243.21094	1.0
251.17982	0.6
257.19067	0.7
259.76617	0.6
295.26410	0.6
297.07599	0.7
305.13797	1.0
325.06927	0.8
333.17194	1.5
351.04065	0.5
381.11801	0.9
385.16483	0.6
401.31982	1.1
419.32983	3.7
451.07391	1.3
505.14627	1.4
505.26862	0.8
505.33514	0.8
523.14935	2.8
523.34381	14.7
524.35010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45984	0.6
53.28389	0.5
55.59555	0.6
67.05494	1.1
69.82541	2.6
69.82972	1.7
72.74345	0.6
81.07048	1.3
87.95330	0.6
90.21599	0.6
93.07067	0.9
95.04978	0.6
95.08587	1.1
98.20836	1.1
105.03395	1.1
105.07017	1.4
107.08620	1.5
109.10143	0.9
117.07160	0.6
119.08526	1.1
125.09372	0.7
147.08128	0.8
149.05988	1.5
161.08215	0.7
175.07535	0.7
203.05293	1.0
213.05447	1.1
245.28693	0.7
287.18542	0.9
287.39929	0.9
311.05557	2.2
347.09204	1.9
365.10138	5.5
409.78864	0.6
419.80215	0.6
449.15997	0.8
505.22351	2.0
523.28760	100.0
524.29114	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	523.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01868	0.7
55.05501	4.4
55.63342	0.5
57.07066	1.5
63.25259	0.5
65.03922	1.2
67.05498	6.3
69.03411	3.0
69.07066	5.0
71.04990	0.8
71.62748	0.6
72.08151	1.5
77.03922	0.7
79.05492	5.0
81.03400	2.7
81.07051	14.1
83.04973	2.2
83.08606	2.6
84.08174	0.5
85.02897	2.7
85.06531	1.1
87.00810	0.9
91.05466	7.4
92.07126	0.6
93.07042	9.4
94.60521	0.6
95.04967	4.5
95.07978	0.6
95.08602	18.4
97.02886	100.0
97.06506	1.6
97.10168	1.4
99.04463	1.1
103.05468	0.7
105.03388	6.2
105.06367	1.0
105.07025	11.9
107.04968	1.1
107.08589	11.6
109.02863	2.1
109.06509	1.9
109.10147	8.8
111.04430	1.1
113.09625	0.6
114.05474	0.5
115.04039	0.7
117.07023	3.1
119.04933	1.1
119.08578	12.6
121.06500	1.7
121.10138	7.9
123.04424	0.9
123.08069	1.8
123.11711	3.4
125.02366	0.6
125.05956	1.0
125.09606	0.8
127.03917	3.3
127.07596	0.6
128.06216	2.0
129.06993	2.2
130.07742	1.1
131.08545	7.0
133.06482	1.6
133.10126	6.3
135.08095	1.3
135.11679	4.2
137.05954	2.8
137.09598	1.5
137.13245	2.3
141.07013	0.8
142.07753	1.6
143.08565	5.7
144.09344	1.4
145.04929	0.6
145.06528	0.8
145.10117	12.2
147.04404	2.7
147.08031	3.3
147.11668	7.1
149.05951	0.6
149.09641	1.3
149.13246	3.4
151.03879	1.4
151.07547	1.2
151.11159	0.7
154.07753	0.8
155.08485	3.1
156.09346	1.6
157.10117	5.0
158.10825	0.6
159.08060	1.0
159.11688	10.5
161.05974	1.0
161.09586	1.0
161.13232	3.7
163.03976	0.7
163.14841	1.6
165.12796	0.7
167.07045	2.6
167.08430	1.1
169.10028	3.5
171.11681	4.1
171.54056	0.5
173.09583	2.2
173.13257	4.3
175.07684	0.5
175.11191	2.5
175.14850	2.5
177.05373	0.8
177.16418	1.7
181.05089	0.7
181.10104	1.2
182.10876	1.6
183.11740	3.4
185.13242	3.9
187.07545	0.7
187.11160	2.7
187.14819	3.3
189.12726	2.1
189.16388	4.6
191.10823	0.6
191.14313	1.0
191.17911	9.4
193.08595	0.7
195.11734	0.8
197.13306	3.0
199.14856	2.6
201.12769	2.1
201.16379	8.3
203.14436	0.7
203.17934	5.4
205.74075	0.6
209.13246	0.6
211.14891	3.9
213.16388	1.1
215.14334	2.4
215.18028	1.6
217.15808	1.4
217.19583	0.6
219.06483	4.1
223.14891	1.2
225.16434	0.7
227.17886	0.6
229.12212	0.7
229.15833	8.4
229.19466	1.0
231.21208	1.0
237.07549	6.4
237.16327	0.6
241.19521	0.6
243.21094	1.0
251.17982	0.6
257.19067	0.7
259.76617	0.6
295.26410	0.6
297.07599	0.7
305.13797	1.0
325.06927	0.8
333.17194	1.5
351.04065	0.5
381.11801	0.9
385.16483	0.6
401.31982	1.1
419.32983	3.7
451.07391	1.3
505.14627	1.4
505.26862	0.8
505.33514	0.8
523.14935	2.8
523.34381	14.7
524.35010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
56.05021	0.5
57.03430	0.2
57.07071	0.2
58.06352	0.2
58.06625	0.4
60.08160	6.1
63.82751	0.1
67.05498	0.3
69.07061	0.7
69.94492	0.7
71.07365	2.5
75.77964	0.1
79.05489	0.4
81.07053	0.3
83.08613	0.3
86.09699	27.9
93.07043	0.2
95.08603	0.3
97.10168	0.2
98.98460	2.4
104.10735	3.0
105.07024	0.3
106.07343	0.1
107.08617	0.2
109.10166	0.2
121.10133	0.1
124.99996	19.2
135.11652	0.1
143.01059	0.4
166.02693	0.2
172.95160	0.3
178.17287	0.1
184.07327	100.0
185.07683	0.4
221.02715	0.1
225.66029	0.1
258.11078	0.2
288.40518	0.1
335.84409	0.1
339.28973	0.2
504.34317	1.1
522.22412	0.2
522.35406	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2324
Annotation	nigrasin G
Peak:m/z	Relative Intensity
67.05489	2.5
69.07040	0.7
75.29983	0.6
79.05499	0.8
81.07040	2.4
86.13663	0.6
87.32117	0.7
88.57713	0.7
91.05475	1.3
93.07039	2.2
95.08601	1.0
105.07043	1.0
107.08576	2.1
109.02857	0.7
109.10148	0.9
117.07004	1.2
123.04484	0.7
135.04442	1.1
135.08046	1.2
135.11702	0.9
137.02327	1.2
149.02345	0.7
153.06976	1.4
157.06482	1.2
159.04390	1.1
161.02367	0.9
185.06006	1.6
189.05472	2.3
195.02887	1.9
202.07816	1.2
213.05426	3.9
217.10143	2.4
231.06447	3.8
245.09720	3.7
247.07634	1.4
249.07620	0.9
273.09097	1.4
275.06836	0.7
276.07962	1.1
291.10123	2.1
293.04288	1.0
295.06168	0.8
295.09668	0.8
299.05557	1.1
301.08600	1.4
311.05463	16.4
311.08871	1.1
313.06915	1.4
319.09647	7.3
323.05426	2.1
323.09070	2.2
325.07037	1.1
329.08011	1.2
337.07175	1.1
347.09109	39.6
349.06866	1.4
350.07773	2.4
353.10172	3.1
365.10184	100.0
379.11655	1.3
383.11389	1.0
419.14719	5.1
449.16556	0.8
451.17166	0.9
487.21140	3.0
505.22198	21.0
505.29550	0.9
523.23419	1.6
523.30859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.355
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.85054	0.5
55.05499	2.3
56.05018	1.0
57.03429	0.5
57.07058	1.4
58.06600	1.0
60.08160	16.0
67.05486	2.0
69.07065	3.0
69.99235	3.1
70.58743	0.5
71.07367	6.9
71.08604	0.5
79.05474	1.6
81.03386	0.6
81.07039	3.3
82.45487	0.5
83.08612	2.0
86.09702	48.5
91.05466	0.6
93.07034	1.5
95.08600	3.0
97.10141	0.7
98.98440	3.0
104.10736	100.0
105.07011	1.2
107.08586	1.7
109.10152	1.8
112.26549	0.6
119.26147	0.5
119.77701	0.5
121.10122	1.3
123.11687	0.9
124.99995	25.2
131.08540	0.8
133.10075	0.8
135.11670	1.2
154.94077	1.0
165.75151	0.7
172.95218	4.5
184.07330	88.2
190.96303	2.4
228.97806	0.9
233.22595	0.7
246.98813	0.7
251.23672	1.3
258.10953	1.3
260.56946	0.5
265.18015	0.7
314.04474	0.6
339.29047	1.7
466.19086	0.7
504.34442	9.3
522.22144	2.2
522.35516	38.8
523.36096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01861	1.5
55.05503	4.7
57.03433	2.4
59.04985	0.5
61.02920	1.7
67.05496	3.5
69.03421	5.5
69.07063	9.3
69.38499	4.3
70.06589	1.1
71.04984	2.6
72.08150	0.7
73.02910	6.6
74.63582	0.5
78.80444	0.4
79.05476	3.7
81.03425	2.3
81.07050	8.5
83.08614	3.8
84.04518	0.6
84.08149	0.9
85.02899	9.9
85.06525	2.1
86.03189	0.5
86.09673	0.6
87.04424	1.0
91.05471	9.6
91.72487	0.5
93.07042	5.0
94.06574	0.5
95.04980	2.4
95.08602	12.2
97.02886	8.1
97.06495	0.8
99.04427	1.1
99.08086	0.6
103.05449	1.0
105.07024	21.9
107.04954	0.7
107.08589	14.9
109.02881	1.7
109.06518	1.3
109.10139	4.0
111.04392	0.6
113.09628	0.6
115.03918	4.0
117.07021	3.2
119.04958	0.8
119.08573	73.1
120.08107	0.8
120.08911	0.6
121.06489	0.6
121.10136	5.5
123.04433	1.5
123.11723	3.5
124.03906	0.5
127.03920	5.4
127.11126	0.6
131.08545	1.7
133.04958	5.8
133.10121	26.5
135.04427	0.5
135.11691	4.2
137.02319	0.7
137.05930	1.5
137.09607	0.9
143.08516	0.5
145.04944	4.4
145.10114	1.9
147.04379	2.1
147.11684	4.0
149.06010	0.6
149.13257	1.0
151.03885	0.7
153.01804	1.6
153.09116	0.6
159.11732	0.6
160.12402	1.0
161.13268	1.4
163.06018	2.6
163.14783	0.5
167.07050	2.5
171.02917	1.1
173.13251	1.2
175.14813	100.0
176.15170	1.2
177.05467	0.8
177.16377	0.5
185.13187	0.6
187.14740	0.5
189.09091	0.7
193.15884	0.9
203.17876	1.1
206.04459	1.0
215.10745	0.7
221.18961	1.0
223.06009	0.9
241.06888	1.1
251.15320	0.6
259.08157	3.7
259.16830	0.6
272.06458	0.5
273.07504	0.8
274.07861	2.0
277.09183	0.9
295.10190	5.3
307.19037	0.9
316.13190	0.6
347.13330	0.6
348.92804	0.5
376.11017	0.7
466.22882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01864	2.6
55.05501	3.2
57.03428	7.5
57.07070	0.9
59.04987	1.6
60.04512	0.5
61.02924	3.8
67.05500	3.7
69.03423	17.8
69.03804	0.8
69.07056	6.2
71.01350	1.2
71.04986	3.5
72.08144	0.5
73.02914	15.9
75.04428	0.5
75.20148	0.4
79.05486	2.2
81.03410	3.3
81.07052	9.7
82.07342	0.5
83.04977	1.0
83.08611	4.0
85.02898	26.9
85.06528	0.9
86.50096	0.5
87.04465	8.2
91.03921	1.0
91.05429	2.1
93.07038	5.2
95.04958	2.4
95.08601	8.6
97.02884	22.1
97.06525	10.5
97.10127	0.9
99.04442	1.7
99.08073	1.0
103.03912	0.9
104.09682	0.4
105.07030	3.5
107.04950	0.5
107.08582	7.7
109.02856	3.4
109.06509	7.2
109.10152	5.4
111.08063	1.3
111.11701	1.4
113.05960	0.8
115.03918	14.7
115.07556	1.4
119.08572	8.7
121.06546	0.5
121.10131	5.1
123.04416	3.4
123.08084	5.6
123.11695	12.9
125.09626	0.7
125.13216	1.0
127.02956	0.6
127.03903	9.4
131.08501	0.5
133.04953	13.6
133.06480	0.8
133.10118	20.1
134.10487	0.6
135.04443	0.5
135.11681	13.2
137.06017	0.9
137.09598	4.1
141.12724	1.1
145.04950	7.1
145.09985	0.6
147.04384	1.0
147.11653	1.6
149.06000	0.8
149.12099	0.4
149.13237	10.8
150.07639	0.8
151.03902	0.5
151.11172	23.5
153.12672	1.6
155.10684	1.0
163.05988	3.3
165.12724	0.7
167.07036	0.7
175.14815	23.2
176.15152	0.6
180.08626	0.6
187.05942	0.6
189.09047	0.5
192.99980	1.2
193.15871	47.7
194.16202	0.5
199.05974	0.6
207.10184	0.6
209.15399	0.6
211.01038	0.9
211.16917	100.0
211.78397	0.5
212.17273	2.0
221.19035	0.5
223.05988	1.3
241.07065	2.2
257.99963	0.5
259.08142	3.7
277.09140	0.9
295.10248	0.5
307.18951	0.6
328.25690	0.5
343.15207	0.8
343.21173	0.6
355.05014	0.7
373.22073	0.7
457.19388	0.5
522.28894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25028	0.7
55.05511	1.9
57.03432	5.9
57.67376	0.8
59.04991	2.5
61.02918	1.5
67.05496	1.8
69.03423	22.9
69.07059	2.4
70.41655	2.9
71.04986	52.4
73.02905	3.2
75.04496	0.8
77.30303	0.7
78.70631	0.6
79.05486	2.2
81.03394	0.9
81.07029	6.3
83.08622	1.2
85.02422	1.1
85.02899	18.5
87.04462	13.3
87.08106	1.4
91.05465	1.3
93.07036	3.4
95.08582	4.2
97.02882	21.8
105.07008	3.7
107.08575	7.1
109.02863	1.0
109.06528	0.8
109.10123	1.8
110.41416	0.8
111.18800	0.9
115.03917	21.2
119.08578	2.5
121.10138	27.9
123.04411	3.0
123.08060	1.8
123.11699	38.6
127.03933	4.7
133.04953	22.5
133.10115	3.7
135.11662	2.8
137.09604	1.6
145.04955	2.7
147.11668	1.0
149.13208	2.3
150.07614	1.6
150.35512	0.7
151.11147	5.8
151.14793	1.0
155.21968	0.8
165.12791	5.8
165.16347	1.2
175.14809	8.6
177.16394	23.7
185.83591	0.8
192.93721	0.8
193.15866	100.0
194.16310	1.0
197.11656	0.8
207.10155	1.2
211.16916	88.0
212.17253	0.8
229.17999	3.7
241.07054	1.0
259.08182	1.6
295.10190	1.1
343.15317	1.4
408.70441	0.9
424.97150	0.8
542.94049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38340	0.4
53.03931	0.8
55.01851	0.7
55.05495	1.9
57.03435	3.0
57.07074	0.6
59.04982	0.8
60.23584	0.5
63.17789	0.4
66.12677	0.4
67.05492	1.4
69.03070	0.8
69.03424	11.4
69.07061	6.8
69.90430	3.0
70.06581	1.1
71.01335	0.5
71.04983	0.7
72.08134	1.7
73.02895	2.2
79.05479	1.9
81.03395	1.3
81.06707	0.4
81.07050	3.9
83.04973	1.0
83.08588	1.2
84.08141	0.5
85.02901	10.5
85.06545	0.6
87.04462	6.3
89.06023	0.7
91.05464	3.6
93.07037	2.7
95.04951	1.4
95.08594	5.4
97.02887	9.6
97.06503	0.9
98.06007	0.8
98.20746	0.9
99.04449	1.1
105.07034	6.4
107.08583	3.8
109.02857	0.7
109.06493	0.8
109.10161	4.0
110.02432	0.5
111.04462	0.5
115.03922	11.6
117.07076	0.7
119.04902	0.7
119.08573	28.1
120.08936	0.5
121.10168	2.2
123.08062	0.5
123.11666	0.7
123.53719	0.5
127.03876	2.2
128.07056	0.8
131.08580	1.2
133.04950	7.4
133.10120	26.6
135.11676	2.0
136.03931	0.6
137.05991	1.0
137.09601	1.5
138.05449	0.7
142.07587	0.6
145.04950	2.0
145.10088	1.9
147.04419	3.2
147.11684	4.9
149.13292	0.7
150.07579	1.2
151.14769	0.7
153.09154	0.6
158.10852	0.6
160.12492	1.1
167.07149	0.6
173.13246	1.6
175.14813	100.0
191.14291	0.6
193.15858	7.9
209.15334	0.7
227.16435	0.6
236.12784	0.6
263.09601	0.5
277.09189	0.6
307.19052	1.1
338.54254	0.5
522.20996	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	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01852	1.9
55.05500	3.4
55.97838	1.1
56.96559	0.9
57.03421	4.5
59.04991	1.5
59.58185	0.9
61.02908	3.6
67.05479	3.8
69.03429	16.0
69.07078	6.8
70.06595	6.9
71.01309	1.1
71.04968	2.1
71.61858	1.9
72.08134	2.5
73.02912	9.6
79.05474	2.9
81.03423	5.7
81.07063	7.5
83.04958	2.3
83.08603	1.9
84.08121	2.4
85.02421	1.5
85.02902	20.9
85.06551	2.9
86.09695	3.9
87.04449	4.6
90.05556	1.7
90.98334	1.0
91.05449	4.8
93.07047	4.9
95.04955	4.5
95.08587	9.5
96.62447	1.0
97.02882	18.1
97.06524	1.8
99.04430	2.1
99.08065	1.5
101.05980	1.5
102.09212	0.9
103.03939	1.1
105.07026	8.0
107.04965	1.9
107.08576	4.5
109.02866	5.7
109.06504	1.0
109.10150	6.9
113.06017	1.0
115.03924	10.3
115.08662	1.2
119.04974	1.2
119.08575	30.0
120.08110	2.6
121.02821	1.3
121.10136	4.6
123.04443	2.9
123.08099	1.8
123.11657	1.7
124.07572	1.9
127.03922	12.6
131.08505	1.0
133.04964	11.5
133.10124	30.3
135.10779	1.0
135.11642	4.9
136.03944	10.2
137.06006	3.2
137.09666	2.4
138.05508	1.9
142.08670	1.0
145.04939	6.5
145.06525	1.0
145.10068	1.5
147.04408	5.5
147.11671	4.0
151.03940	1.3
152.06969	1.6
153.09148	1.5
154.04977	9.5
154.08466	1.1
156.15967	1.0
159.11765	1.1
160.12506	1.1
161.06004	1.6
161.13261	1.5
163.03831	1.3
163.05969	3.3
163.10957	1.0
167.06967	2.2
169.04973	1.3
173.13202	2.0
175.14813	100.0
176.15114	1.4
177.05423	3.3
178.04965	2.8
180.10115	2.7
184.09712	1.2
191.14302	1.1
193.15851	21.9
202.10724	3.6
206.04410	2.5
207.06511	2.0
207.13853	1.3
209.15359	2.3
211.16925	10.3
220.11760	1.3
259.08258	1.8
271.05884	1.3
277.09146	1.0
287.10690	1.1
289.17834	1.3
298.09219	4.3
301.17917	1.4
307.19031	1.9
316.10330	2.0
321.07532	2.8
323.09018	4.0
324.09473	10.4
325.09622	1.3
325.19867	1.6
328.13910	4.0
337.19980	2.1
342.10339	5.2
355.21094	3.3
360.11465	3.8
364.15936	3.5
366.10587	1.7
504.15805	3.3
522.16272	9.1
522.22742	1.7
522.35651	1.3
523.17834	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	522.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
53.31297	0.7
55.01853	2.1
55.05492	2.0
57.03424	1.0
61.02913	1.4
62.34900	0.8
65.03934	0.9
67.05507	4.7
68.99788	1.9
69.03433	5.3
69.07049	2.1
69.43542	4.3
69.43961	2.5
70.06586	0.9
71.04990	5.2
72.08147	1.6
73.02912	1.1
79.05471	2.2
81.03421	3.6
81.07054	4.9
83.04972	1.6
83.08585	1.8
85.02904	11.1
85.06538	1.3
87.04449	1.2
91.03938	0.8
91.05467	2.7
93.07051	3.8
95.04958	4.6
95.08586	3.4
97.02895	4.5
97.06502	0.9
98.09718	0.7
98.97565	0.9
99.04435	1.2
99.08040	0.8
101.02361	2.3
105.07032	4.2
107.04954	1.5
107.08578	2.5
109.02844	3.7
109.06505	1.9
109.10165	6.0
119.04896	1.2
119.08558	3.9
121.02934	0.8
121.06503	3.8
121.10132	5.6
123.04421	92.9
123.08031	1.4
123.11710	0.8
125.05910	1.0
125.09603	1.5
127.03891	6.6
131.08548	1.2
133.06468	3.7
133.10110	2.1
135.04425	1.8
135.11647	2.0
137.05966	5.7
137.09595	1.5
138.05482	0.9
143.08595	1.7
143.10670	1.0
145.04904	1.5
145.10124	1.8
147.04391	6.4
147.08023	1.3
147.11685	1.0
149.05975	34.9
149.13165	0.9
151.11285	0.8
153.01836	0.9
153.05336	0.8
157.10049	0.9
161.05965	10.3
161.09648	3.8
161.13278	1.1
163.11186	1.2
165.05482	1.9
165.12718	2.5
167.07011	2.6
171.08069	7.1
173.06021	0.8
174.06801	1.7
175.14806	1.1
177.05461	1.1
179.06961	0.8
187.11188	1.2
189.09087	19.8
189.10721	1.5
193.15862	7.3
203.10608	2.0
207.10150	33.5
211.07343	1.1
215.10684	1.1
221.11696	2.1
221.15512	0.7
233.11636	1.0
239.16373	5.0
253.08591	3.1
257.17471	6.1
271.09628	100.0
272.10123	0.9
313.10556	1.4
325.14337	8.3
337.06854	1.0
337.10883	1.4
339.08569	0.9
342.40707	0.8
343.15381	95.7
344.15671	1.1
367.15231	1.1
372.37466	0.8
397.12857	0.9
433.14914	7.4
472.80862	0.8
487.19971	1.0
520.19885	1.0
522.22284	1.1
522.30530	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	521.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01855	4.8
55.05508	14.5
57.03436	1.6
57.07075	28.5
59.04991	1.3
63.97585	1.1
65.03925	1.4
67.05159	1.7
67.05503	20.1
69.07061	9.9
69.61915	6.8
71.04989	1.5
71.08629	19.7
79.05492	15.7
81.03407	5.7
81.07053	26.8
82.09196	0.9
83.01340	3.6
83.04997	6.7
83.08617	14.8
85.02914	2.3
85.06540	1.8
85.10183	10.1
91.05473	11.0
91.73847	1.0
93.07038	17.0
95.04951	5.9
95.08598	24.6
97.02869	1.0
97.06516	3.0
97.10156	7.0
99.04430	1.9
105.07027	6.7
107.04945	5.2
107.08591	8.8
109.06504	4.3
109.10149	12.2
111.04431	2.1
111.08116	1.1
111.11727	1.4
117.07032	4.8
119.08585	5.4
121.06499	2.8
121.10166	5.8
123.08054	4.3
123.11704	3.8
125.05970	1.8
125.09621	1.8
130.07819	1.3
131.08574	3.1
133.10101	1.5
135.08081	1.2
135.11681	10.0
137.09775	1.2
137.13333	2.5
145.10130	10.9
147.08003	2.1
153.12753	2.0
157.10127	1.0
163.11168	17.0
169.93384	0.9
173.09663	2.2
181.12254	3.5
191.10683	2.3
193.12178	1.1
206.50096	0.9
209.11713	7.4
223.19682	1.0
227.12790	7.2
239.23637	8.0
362.82916	1.0
381.12515	2.2
521.38403	100.0
522.38623	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	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.01857	1.5
55.05268	1.2
55.05511	18.9
57.03423	4.3
57.07085	6.1
64.44695	1.1
65.48230	1.0
66.73196	1.1
67.05160	2.0
67.05499	25.6
68.07054	1.0
69.03417	1.6
69.06712	1.6
69.07061	21.1
69.97904	3.7
69.98330	2.3
71.04990	3.0
71.08618	3.4
79.05484	18.1
81.03416	27.0
81.07051	34.4
83.04977	5.6
83.08617	22.4
85.02902	14.3
85.06532	2.4
91.05476	15.1
91.98347	1.0
93.07031	20.7
95.04969	12.1
95.08599	22.4
97.02908	1.3
97.06516	2.7
97.10154	10.3
105.07020	21.9
106.07333	1.3
107.04951	3.4
107.08584	9.4
109.06499	2.7
109.10155	9.3
111.04443	1.8
111.08071	4.7
111.11684	2.3
113.06007	1.6
119.08573	8.3
121.06482	1.3
121.10113	12.0
123.08031	1.7
123.11695	2.5
129.07007	4.1
131.08519	6.6
133.10106	2.7
135.11707	6.3
137.13293	2.2
142.07796	1.5
142.53232	1.1
145.10095	2.2
147.08063	1.9
147.11676	6.0
149.09607	1.7
149.13191	2.8
157.10162	5.4
165.12743	2.0
175.11171	6.9
193.12225	24.5
211.13264	31.5
219.21101	2.3
225.12529	1.2
237.22183	6.0
254.69609	1.1
267.15909	6.0
311.25812	4.1
429.33759	1.5
503.37399	5.3
521.38342	100.0
522.38452	2.5
544.95435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1654
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
52.33472	0.3
53.03893	1.0
53.04117	0.2
55.01817	0.6
55.05475	0.5
57.03426	1.8
57.07017	0.2
57.51470	0.2
58.20877	0.2
59.04941	0.2
61.02864	1.8
61.94002	0.2
66.18421	0.2
67.05499	1.1
69.03422	7.9
69.03764	0.4
69.06998	0.8
70.06524	0.3
71.01295	0.6
71.04987	1.2
71.62350	0.2
71.62786	0.4
72.08128	0.6
73.02920	1.5
79.05430	1.0
81.03409	3.0
81.07059	1.6
83.01301	0.3
83.04926	0.8
83.08569	0.2
84.08084	0.2
85.02898	15.2
85.03394	0.6
85.06488	0.7
85.63828	0.2
86.09624	0.2
87.04462	1.5
89.05986	0.3
91.03893	0.6
91.05417	0.8
93.07035	1.2
95.04961	1.1
95.08611	1.8
97.02879	6.8
97.06451	0.7
99.04419	1.3
99.08025	0.2
99.78705	0.2
101.02342	0.4
103.03835	0.3
103.05382	0.5
105.07018	1.2
107.04856	0.5
107.08573	1.3
109.02871	2.5
109.06416	0.8
109.10137	1.4
111.04347	0.4
111.08056	0.3
115.03905	0.4
117.03320	0.5
119.04890	0.5
119.08571	1.1
121.02821	0.3
121.06439	0.8
121.10103	1.1
122.92150	0.2
123.04353	1.0
123.08025	0.4
123.11631	0.4
124.03867	0.5
125.05922	0.5
125.09557	0.5
127.03912	4.0
131.04866	0.6
131.08519	0.5
133.06468	0.4
133.10039	0.8
134.03545	0.4
135.04332	0.4
135.07945	0.4
135.11696	0.5
137.05937	2.1
137.09576	0.3
140.07034	0.2
145.02777	1.0
145.04959	1.3
145.10034	0.9
147.04373	1.3
147.11647	0.5
147.13098	0.2
149.02292	0.6
149.05917	0.7
149.09538	0.4
149.13222	0.3
151.02881	0.2
151.03891	2.7
151.07542	0.3
153.01750	0.3
159.07904	0.2
159.11630	0.4
161.05977	0.6
161.09549	0.3
161.13152	0.3
163.03856	0.7
163.07443	0.6
164.04622	0.3
165.05481	0.3
165.06900	0.3
167.07002	1.5
171.02846	0.5
173.13217	0.3
175.03886	0.3
175.07468	0.3
175.14636	0.3
177.01791	0.6
177.05396	0.5
179.03308	1.0
181.04932	0.5
181.06425	0.3
187.07486	0.3
189.05428	0.4
191.03348	0.3
191.14357	0.3
192.04103	0.7
193.04898	1.6
193.06383	0.3
193.08502	0.4
193.15747	0.3
195.02769	0.4
195.08006	0.3
199.07500	0.3
209.04362	0.7
210.05226	2.3
213.09138	0.4
220.05928	0.3
221.05974	0.4
222.06593	0.3
225.09174	0.3
227.06956	0.5
237.05493	0.3
238.05960	0.2
239.06966	0.6
241.08580	0.7
244.49747	0.2
249.05557	0.3
251.06828	0.4
253.08533	1.0
253.12651	0.2
255.06482	1.6
265.05069	0.3
266.05569	0.4
267.06494	0.3
269.08066	4.4
270.08737	1.5
271.06070	0.3
273.07422	0.6
278.05511	0.3
279.06503	0.3
281.08157	2.0
283.06033	2.2
285.11282	1.4
293.04309	1.3
293.07996	0.7
294.05298	0.4
295.06073	0.7
295.09473	0.3
296.06808	0.5
297.07700	1.3
298.08282	0.9
299.06100	0.3
305.24652	0.4
307.05930	0.4
308.06808	0.5
309.07593	3.6
311.05423	2.6
311.09109	1.2
313.10638	0.3
323.09045	1.4
323.25885	0.4
325.07028	8.4
325.10376	0.4
326.07813	28.8
327.08093	0.4
331.41135	0.3
335.57886	0.2
339.08585	0.6
341.10159	100.0
342.10498	1.5
359.11215	91.9
360.11728	1.2
365.10202	0.5
383.11124	1.5
401.12347	0.6
503.15100	1.2
521.16284	4.6
521.29987	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	521.1653
Annotation	LETHEDOSIDE B
Peak:m/z	Relative Intensity
53.03902	0.7
53.04130	0.2
55.01834	0.6
55.05463	0.2
57.03431	2.0
61.02921	2.0
63.15446	0.2
65.03912	0.3
67.05473	0.5
68.99757	0.3
69.03423	8.3
69.07024	0.7
70.56672	0.4
70.57024	0.3
71.01308	0.3
71.04947	0.7
72.08105	0.3
73.02907	1.5
73.43673	0.2
79.05457	0.4
80.28425	0.2
81.02989	0.2
81.03400	2.1
81.07038	1.0
83.01295	0.3
83.04929	0.2
84.08115	0.3
85.02898	12.9
85.06517	0.2
87.04446	0.9
91.03926	0.3
91.05464	1.0
93.03400	1.9
93.07003	0.8
95.01278	0.4
95.04915	0.5
95.08557	0.5
97.02882	3.6
99.04395	0.8
99.65282	0.2
101.02320	0.6
103.03901	0.6
103.05440	0.2
105.06986	0.6
107.04950	1.3
107.08582	0.5
109.02858	1.8
109.10114	0.8
113.02271	0.2
115.05423	0.4
117.06970	0.4
119.01318	0.2
119.04936	0.9
119.08552	0.4
121.02856	1.9
121.06490	0.3
121.10061	0.4
123.04427	0.2
123.11707	0.3
125.09566	0.2
127.03912	2.2
129.06941	0.2
129.87115	0.2
130.06471	0.2
131.04904	1.4
133.02835	0.3
135.04333	0.3
135.11624	0.4
137.02275	0.6
137.05887	0.4
143.04895	1.4
145.02791	0.3
145.04915	0.7
145.06453	0.8
145.10071	0.2
147.04387	1.3
147.11580	0.2
149.05894	0.5
149.13152	0.2
151.11162	0.2
157.06435	0.5
159.04329	0.4
161.02237	0.2
161.05943	0.6
163.03847	0.5
167.06995	0.3
167.08870	0.2
171.04379	0.2
171.07889	0.3
171.13747	0.7
173.02254	0.6
173.05939	0.7
175.03926	0.4
177.05403	0.3
178.07762	0.3
179.07010	0.4
179.08560	0.3
181.06465	0.3
181.75343	0.2
182.07217	0.2
183.08040	0.3
185.05963	0.3
187.03813	0.4
189.05409	0.4
193.10107	0.3
197.09622	0.2
199.07503	1.2
200.15399	0.2
201.05403	0.5
202.07799	0.4
203.08521	0.5
205.04926	2.3
206.07310	0.4
210.06653	0.2
213.05502	1.2
215.06995	0.7
221.04396	0.4
221.09621	0.4
224.08237	0.3
225.05521	0.2
225.09169	0.3
227.06992	0.9
231.08034	0.8
234.06653	0.4
239.06873	0.2
239.10605	0.4
247.07477	0.3
249.09032	0.5
252.07767	0.5
253.08502	0.3
255.06497	1.9
267.06564	0.7
267.10117	2.8
268.07422	0.3
273.07523	2.0
277.08600	0.8
279.06381	0.3
280.07407	0.4
281.04730	0.2
281.07990	0.9
283.05966	0.3
287.23541	0.3
293.07959	0.4
294.08932	0.3
295.06189	0.4
295.09549	3.0
297.07623	0.5
298.04761	1.1
305.08072	3.0
305.24771	0.3
307.05847	0.3
313.07071	2.9
321.07684	0.4
322.08197	0.5
323.09091	100.0
324.09467	2.3
325.06967	0.2
341.10156	51.3
342.10452	1.6
347.08908	1.2
359.11212	35.1
360.11536	0.8
365.10147	4.1
383.11142	2.5
389.10214	0.3
401.12204	0.8
407.11594	0.3
433.10980	0.2
467.13635	0.2
485.14377	2.6
503.15451	12.8
521.16486	64.7
522.16772	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	521.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.19204	0.4
55.01873	0.9
55.05514	1.6
57.03441	1.9
57.07079	0.6
59.05001	0.7
61.02917	1.8
67.05499	3.0
68.99828	0.4
69.03428	8.1
69.07075	3.4
69.07906	0.3
70.06570	1.9
71.01338	0.6
71.04993	2.1
71.62519	0.4
71.62922	0.4
72.08153	4.6
73.02910	1.0
77.03921	0.4
79.05486	2.7
81.03417	3.6
81.07050	7.0
81.07510	0.5
83.01359	0.4
83.04984	1.9
83.08625	0.7
84.08165	1.9
85.02899	15.3
85.06525	3.1
86.09698	0.9
87.04460	1.2
89.03958	0.4
89.10803	0.3
91.05448	2.8
93.02666	0.4
93.03398	1.1
93.07034	4.4
95.04960	2.8
95.08598	5.7
96.74862	0.3
97.02885	5.7
97.06536	1.5
97.10170	0.4
98.06066	0.6
98.09724	0.7
99.04469	1.6
99.08109	1.0
101.02383	0.5
101.06036	0.6
103.03949	0.7
103.05481	0.4
105.07027	2.7
107.04946	1.8
107.08586	4.3
109.02874	2.7
109.06547	1.6
109.10163	4.5
110.07080	0.4
111.04460	0.5
111.08090	1.6
113.06013	0.5
114.10313	1.1
115.03913	0.4
115.05481	0.6
115.08691	0.7
117.03345	0.5
117.07014	1.1
119.04953	2.7
119.08579	2.6
120.08084	0.4
121.02867	1.9
121.06500	0.7
121.10143	4.1
123.04426	1.6
123.08064	0.6
123.11721	1.9
125.05951	0.5
125.09650	1.2
127.03914	3.9
129.05498	0.8
129.06989	0.6
131.04938	1.7
131.08569	1.0
133.02856	0.5
133.06480	0.5
133.10120	2.3
134.03636	1.0
135.04379	0.8
135.08049	0.6
135.11667	2.1
136.07562	0.6
137.02356	0.7
137.05975	3.9
137.09618	0.7
139.11171	1.1
140.07047	0.5
143.04956	0.8
143.08517	0.4
145.02925	0.5
145.04974	1.3
145.06419	0.7
145.10149	0.9
146.06046	0.5
147.04401	8.7
147.08080	0.5
147.11676	1.4
148.04752	0.7
149.06015	0.8
149.09694	0.8
149.13237	1.3
151.03922	1.1
151.11163	0.6
153.12688	0.9
157.06477	0.5
157.10165	0.4
159.11685	1.0
160.80754	0.3
161.02335	0.7
161.05963	0.8
161.09654	0.5
161.13280	0.7
163.03906	1.2
163.07533	0.6
163.11127	0.4
163.14839	0.5
164.07076	0.6
165.01860	0.4
165.12723	0.6
167.05580	0.6
167.07004	5.2
169.12175	0.5
171.13763	1.8
173.02322	2.3
173.05898	0.8
173.13246	1.0
175.07657	0.4
175.14828	0.5
177.05508	1.0
177.16403	2.2
179.06993	0.5
181.04951	0.8
181.06406	0.5
181.12233	0.4
185.05978	0.6
187.03920	0.4
191.14345	1.2
193.08580	0.4
195.13835	0.5
199.07578	0.7
201.05447	0.7
203.18047	0.4
205.04996	1.5
209.15341	0.5
213.05498	1.4
213.09149	0.6
213.18443	0.7
215.06972	3.7
215.08479	0.3
218.11722	0.4
223.07649	0.4
227.07040	0.6
231.08144	0.5
234.06792	0.5
239.07022	0.5
241.04956	1.6
249.09286	0.4
251.07143	0.5
252.07875	0.4
255.06487	1.0
267.06686	0.5
267.10162	1.5
269.22467	0.6
270.05383	1.8
273.07523	2.1
277.08533	0.7
280.07532	0.4
281.07809	0.5
283.05859	1.0
284.06625	0.5
285.06589	0.6
287.23727	1.6
293.24484	0.5
295.06378	0.6
295.09628	2.0
297.07245	0.6
298.04703	30.3
299.05280	0.5
305.08234	1.9
305.24631	2.0
311.12686	1.0
313.07034	100.0
314.07501	1.6
315.07645	1.1
323.09125	54.8
323.25812	1.4
324.09464	0.6
325.07062	1.0
341.06458	26.9
341.10223	25.0
341.13464	0.9
341.26764	1.0
342.06750	0.4
344.64377	0.4
355.14899	0.5
359.07465	17.7
359.11261	16.2
359.14859	1.0
360.07971	0.4
363.08264	0.5
365.10098	1.9
381.08838	0.8
383.11084	1.5
395.37680	0.4
401.12280	0.5
433.10464	0.4
477.29633	0.5
485.14322	1.3
503.15393	6.9
503.26764	0.4
521.16370	29.9
521.28564	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	521.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04671	0.4
51.83086	0.3
53.03932	0.9
55.01862	1.1
55.05504	0.7
57.03424	1.7
59.04989	0.3
61.02908	0.4
67.01859	3.6
67.05490	1.1
68.99770	2.0
69.03418	4.0
69.07050	1.2
69.72047	1.2
69.72470	1.0
70.06586	0.8
71.04980	5.3
72.05305	0.8
72.08133	1.1
73.02900	0.6
73.42455	0.3
79.05487	0.9
81.03416	3.7
81.07045	1.9
83.04971	0.9
83.08581	0.4
84.08107	0.3
85.02895	13.2
85.06537	0.4
86.03226	0.9
86.09696	0.9
87.00821	1.9
91.03938	0.3
91.05457	2.3
93.07034	1.8
95.04945	1.2
95.08593	1.6
97.02891	3.5
97.06507	0.7
99.04446	1.7
103.05441	0.6
105.01850	1.3
105.07017	1.4
107.04917	2.3
107.08584	1.3
109.02869	3.1
109.06525	1.4
109.10166	1.5
110.12901	0.3
111.00803	0.4
111.04412	0.6
115.03931	0.3
119.04926	5.3
119.08566	1.1
120.08115	0.3
121.02832	1.0
121.06497	2.3
121.10113	1.0
123.04413	2.3
123.08078	0.5
123.11700	0.6
125.02330	0.6
125.09546	0.3
127.03909	5.3
129.01819	1.3
129.05484	2.0
130.05780	0.5
131.04906	0.6
131.08498	0.4
133.06483	0.3
133.10118	0.9
135.08047	0.8
135.11678	0.5
137.05966	1.0
137.09595	0.5
145.04927	2.3
145.05959	0.3
145.10098	0.7
147.04393	20.1
147.06461	1.0
147.11674	1.0
148.04845	0.3
149.02405	0.3
149.06009	0.4
149.09534	0.5
149.13234	0.5
151.03883	1.2
153.01810	70.0
154.06210	1.1
155.06599	0.5
159.02893	1.2
161.05977	0.5
163.03915	0.8
163.07584	1.2
164.09180	0.4
165.01846	0.9
165.05464	0.3
167.03337	0.4
167.05635	0.3
167.07053	1.0
171.02870	35.0
173.13220	0.6
175.14832	0.5
176.15161	0.3
177.01872	0.8
177.05487	0.3
179.03415	1.7
179.04765	0.4
181.04922	0.3
183.02855	0.6
187.07509	0.3
189.05453	0.6
189.12677	0.3
191.03375	1.4
191.14313	1.0
192.14589	0.4
193.08551	0.3
195.02850	4.9
195.10153	2.2
196.10504	1.6
200.73468	0.3
202.08694	0.4
205.04913	0.4
209.15323	0.3
215.03381	0.6
219.02962	1.4
219.10121	0.3
231.04689	0.6
231.06654	0.7
243.02805	0.5
255.06512	0.8
261.03925	1.6
267.10229	0.4
271.05994	0.4
273.07541	100.0
274.07935	0.9
297.07611	1.4
305.24524	0.5
313.07162	0.3
315.08594	1.4
323.09091	8.5
325.15665	0.3
339.08655	1.3
341.06543	0.6
341.10141	5.6
341.13718	0.3
359.06818	0.5
359.11185	9.2
359.14844	0.5
363.08685	0.6
373.18042	0.4
374.18365	1.0
381.09601	1.5
401.07086	1.0
473.41718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3395
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05505	1.2
56.05018	1.0
57.03424	0.4
57.07053	0.2
58.06564	1.3
60.08157	16.8
61.01939	0.2
65.03928	0.3
67.05492	3.8
69.07072	1.4
70.06591	0.3
70.95800	0.6
71.07367	6.5
79.05473	0.9
81.07047	3.8
83.08629	0.7
86.09695	51.8
86.64515	0.2
87.00510	0.2
91.05459	0.3
93.07030	1.4
95.04962	0.3
95.08590	2.3
97.10141	0.2
98.98460	3.6
104.10732	99.7
105.07012	0.7
107.08581	0.7
109.10154	1.0
119.08558	0.4
121.10149	0.4
123.11672	0.3
124.99991	29.9
131.40302	0.2
133.10136	0.5
135.11720	0.3
143.00986	0.6
161.13437	0.2
163.01530	0.7
166.02634	0.2
184.07320	100.0
231.21214	0.3
240.10013	0.2
249.22209	0.4
258.11017	1.1
280.48111	0.2
337.27435	1.0
380.12317	0.5
443.25507	0.4
502.32935	9.5
506.75790	0.2
520.33929	37.5
521.34052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01870	1.4
55.05499	1.0
57.03423	0.8
57.07058	0.4
61.02918	0.4
65.03944	0.4
67.01861	2.9
67.05497	1.6
68.99780	1.7
69.03422	3.4
69.07072	1.6
70.06561	0.7
70.75957	1.1
71.04980	1.8
72.08150	0.7
73.02900	0.7
79.05493	1.4
81.03406	3.6
81.07056	3.3
83.04974	1.2
83.08617	0.4
84.08111	0.7
85.02900	7.8
85.06541	1.5
86.09692	0.4
87.00840	1.5
91.05457	3.3
93.07047	2.6
95.04961	2.4
95.08593	2.6
97.02896	3.2
97.06520	0.8
97.10124	0.5
99.04438	1.7
99.08078	0.5
103.05422	0.3
104.33124	0.3
105.01865	1.1
105.07010	2.3
107.04945	2.9
107.08594	2.3
109.02872	2.5
109.06499	1.3
109.10140	2.4
111.00763	0.4
111.04418	0.5
111.08047	0.4
117.06979	0.6
119.04938	5.5
119.08578	1.4
121.02850	0.7
121.06507	2.3
121.10146	1.9
123.04430	2.5
123.08079	0.8
123.11677	1.2
124.04812	0.4
125.02338	0.5
125.05998	0.4
125.09592	0.7
127.03907	5.1
129.01834	1.1
129.05475	0.4
130.40106	0.4
131.04926	0.6
131.08575	0.8
133.06433	0.5
133.10121	0.9
135.08006	0.7
135.11661	1.0
137.05980	2.0
137.09612	0.7
137.13235	0.3
139.11169	0.6
141.06998	0.4
143.08569	0.3
145.02856	0.3
145.04898	1.1
145.10109	1.4
147.04401	22.3
147.11674	0.8
148.04785	0.4
149.05965	0.4
149.09607	0.6
149.13268	0.7
151.03888	1.1
151.07573	0.5
151.11185	0.6
153.01813	67.6
157.10034	0.3
159.02869	1.2
159.11688	0.9
161.05881	0.6
161.13245	0.6
163.03864	0.7
163.07504	0.6
163.11168	0.6
165.09172	0.3
167.05768	0.3
167.07002	1.8
168.05658	0.3
171.02876	39.6
173.09590	0.4
177.05373	0.5
179.03377	2.0
181.04930	0.6
189.05435	0.8
189.09088	0.4
191.14256	0.7
193.08522	0.3
195.02895	1.1
195.10104	0.5
207.13765	0.3
213.04074	0.4
219.02859	0.3
231.06593	0.6
255.23285	0.5
271.05963	0.9
272.06479	0.6
273.07550	100.0
274.08081	0.5
297.07733	0.4
297.11563	0.3
305.24670	0.5
313.06973	0.7
315.08435	0.4
323.09155	0.6
323.25772	0.6
325.22275	0.3
339.08539	0.6
341.10056	0.5
341.13705	0.6
345.08981	0.3
355.04056	0.4
357.09555	0.4
359.14496	0.5
381.09329	0.6
401.07111	0.7
446.66937	0.4
521.16797	0.5
521.21649	0.5
521.30164	1.3
531.91302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01859	1.0
55.05254	0.6
55.05505	9.4
56.96556	0.4
57.03424	1.6
57.07063	0.8
58.06588	1.6
59.04993	1.2
65.03915	0.6
67.05500	2.0
69.03425	3.5
69.07054	2.4
69.52390	3.3
70.06584	41.0
71.04998	3.3
72.08143	4.0
73.02901	1.4
77.26838	0.3
79.05492	2.3
81.03407	2.6
81.07046	7.2
82.06567	0.5
83.04984	4.2
83.08622	3.1
84.08133	6.0
85.02406	0.7
85.02892	6.0
85.06538	1.1
86.03212	0.4
86.06085	0.4
86.09691	2.4
86.38489	0.4
87.04469	0.9
89.10785	0.9
91.04987	0.6
91.05401	2.4
92.05711	0.5
93.07029	3.8
95.04957	6.9
95.08602	2.8
96.08119	2.1
97.02864	3.1
97.06511	1.6
97.10134	0.9
98.06050	0.8
98.09676	1.1
99.04441	4.2
99.08080	1.3
101.02404	0.5
101.06010	16.5
103.05444	0.6
105.07030	3.7
107.04953	0.5
107.08580	6.7
109.02855	2.6
109.06511	4.7
109.10143	3.8
111.04429	0.7
111.08064	1.1
112.05082	2.2
112.07591	4.5
114.09153	39.0
116.07111	0.4
119.04959	1.3
119.08543	1.9
121.10128	5.9
123.08093	1.8
123.11709	1.5
125.09660	0.7
127.03922	4.0
127.07560	1.6
128.10735	1.3
131.04967	0.7
131.08554	1.5
132.10184	13.9
133.10109	7.9
135.08081	1.3
135.11659	0.9
137.05946	0.7
138.05510	1.2
140.06935	0.5
141.09135	0.5
143.08603	0.7
144.10277	0.4
145.04980	0.7
145.10141	1.3
146.11728	0.9
147.04375	4.4
147.11671	1.4
149.09618	0.5
149.13246	3.5
151.11201	1.5
152.07123	0.7
153.05472	0.4
153.09100	1.3
157.06496	0.5
158.10930	1.5
161.05992	0.5
163.07504	0.6
163.14810	0.8
165.12729	0.8
166.08675	0.4
167.05591	0.6
167.06961	0.4
167.14359	1.0
173.13226	3.6
173.99646	0.4
174.11284	1.6
177.05492	0.6
179.03563	0.4
191.14276	2.9
201.00662	0.4
204.12259	0.7
209.15437	1.2
216.12280	0.7
218.11810	0.7
234.13374	2.8
235.14571	0.6
240.12286	2.3
258.13364	5.0
276.14407	28.3
290.16028	0.9
294.15417	10.6
299.06152	1.1
300.06305	0.7
317.06973	1.9
317.56723	0.4
337.38562	0.4
469.28149	0.4
484.28979	3.0
502.30124	13.7
520.31213	100.0
521.31366	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	520.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05037	0.4
57.03417	0.2
58.06623	0.4
59.07399	0.1
60.08157	6.1
67.05498	0.6
69.07056	0.3
69.64912	0.6
70.06595	0.1
71.07368	2.9
79.05486	0.2
81.07066	0.5
83.08595	0.1
86.09698	27.6
87.10035	0.1
91.05435	0.1
93.07024	0.1
94.39610	0.1
95.08591	0.4
98.21425	0.2
98.98454	2.4
104.10738	2.8
105.07014	0.1
105.38297	0.1
109.10131	0.1
124.99993	18.9
133.10197	0.1
143.01033	0.2
166.02628	0.1
184.07323	100.0
185.07613	0.2
222.98523	0.1
258.11053	0.2
291.37152	0.1
297.25964	0.1
337.27142	0.2
359.99069	0.1
502.32864	1.4
520.33984	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00348	1.8
53.03935	4.2
55.01865	2.9
55.05508	12.7
57.03429	4.2
57.07076	2.7
59.04990	2.5
61.02893	3.2
65.03936	2.0
67.05505	15.0
69.03429	14.2
69.07066	18.0
70.06589	3.1
71.04984	29.5
71.61768	2.9
73.02905	5.1
73.06543	2.4
79.05484	13.0
81.03397	7.5
81.07047	35.0
83.04956	5.4
83.08611	7.1
85.02895	30.6
85.06523	5.5
87.00826	7.1
87.04450	2.6
91.05413	14.0
93.07040	28.9
94.06570	2.2
95.04948	6.8
95.08594	35.7
97.02895	13.1
97.06509	7.2
97.10174	3.1
99.04433	7.3
99.08079	6.5
105.01846	6.4
105.06369	3.1
105.07025	36.5
107.04900	2.0
107.08582	33.6
109.02877	8.7
109.06515	9.0
109.10137	21.8
110.09661	2.3
115.03911	4.2
117.07021	3.8
119.08600	12.5
121.02869	1.9
121.06477	2.9
121.10124	24.2
123.04427	16.2
123.08080	3.8
123.11712	10.4
123.21220	2.1
124.04731	2.5
125.09631	25.7
125.63280	2.2
127.03909	16.7
127.07502	2.6
127.11109	3.3
129.05544	2.3
131.08533	11.0
133.04999	2.6
133.06432	2.0
133.10123	57.9
133.49330	1.9
135.08046	3.2
135.11700	3.1
137.05952	5.3
137.09541	1.9
139.03882	7.8
139.11143	3.4
140.04239	2.4
143.08519	2.5
143.10670	33.9
145.02853	1.9
145.04941	5.3
145.10088	14.8
147.04385	5.0
147.11682	18.8
149.05984	4.4
149.09579	3.0
149.13252	33.5
150.06343	1.8
151.11147	3.7
157.10028	2.6
159.02791	2.0
159.07954	2.3
159.11671	9.5
161.05988	2.8
161.13254	6.1
163.03792	2.4
163.07571	4.0
163.11147	2.2
167.05652	3.4
167.07018	5.7
167.14305	100.0
169.12177	2.0
173.13246	5.5
175.07512	4.5
175.14784	3.4
177.05396	3.5
180.17517	6.7
191.14333	10.4
191.17909	2.1
198.18440	2.0
201.09099	1.8
201.16377	12.8
203.17921	3.2
205.08582	5.3
206.08907	3.6
208.16891	12.7
209.15421	3.2
219.17415	48.2
226.17992	63.7
231.05000	2.5
237.18480	8.2
249.06235	2.3
286.08005	3.5
299.06332	2.7
300.06052	2.8
331.51419	1.8
357.13220	7.1
358.13611	22.4
382.82529	2.1
473.77780	1.9
520.19397	3.5
520.31360	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01853	2.1
55.05258	0.9
55.05505	13.1
56.19071	0.7
57.03417	3.0
57.07060	2.6
59.04973	1.5
59.69419	0.7
61.02919	1.4
65.03918	1.3
67.05498	10.4
68.92891	0.7
68.99792	1.5
69.03424	9.3
69.06715	1.2
69.07061	13.0
71.04984	27.2
71.61707	1.1
72.08131	1.4
73.02913	1.5
73.06549	3.5
79.05480	10.2
79.88491	0.9
81.03415	5.5
81.07049	29.8
83.04964	2.9
83.08625	6.2
84.08115	0.7
85.02898	15.4
85.06518	2.7
86.03229	0.8
87.00832	5.1
87.04445	0.9
91.03900	0.8
91.05457	13.3
92.05757	0.9
93.06462	1.5
93.07036	27.6
95.04978	4.1
95.08596	39.0
97.02879	8.6
97.06500	4.9
97.10140	3.2
99.04452	2.0
99.08067	5.0
101.05997	0.7
103.05457	1.6
105.01872	7.5
105.07021	34.9
107.04941	1.5
107.08584	27.6
108.08102	0.9
109.02843	5.5
109.06501	4.6
109.10143	19.6
110.09645	2.4
111.04425	1.1
111.08098	1.8
111.11673	1.1
113.21197	0.8
115.03892	1.4
115.05457	1.1
117.06995	2.5
119.04916	1.5
119.08567	14.3
121.02835	0.7
121.06509	1.6
121.10137	29.3
121.11016	1.7
123.04422	8.4
123.08042	2.7
123.11694	8.8
124.03903	0.9
124.04742	1.2
125.09621	21.5
125.10541	1.2
127.03894	11.0
127.07557	3.9
127.11184	4.0
128.04276	0.8
129.06975	1.1
131.08574	7.2
132.02846	0.7
133.10118	53.8
134.10501	0.8
135.07980	1.7
135.11674	4.8
135.41338	0.7
137.05933	3.2
137.08383	1.1
137.09605	2.4
137.13220	1.2
138.09099	1.7
139.03865	5.7
139.11154	2.9
140.04250	1.6
141.12685	0.8
143.08530	2.4
143.10658	32.4
145.02846	1.5
145.04929	2.3
145.10114	11.0
147.04417	5.1
147.08034	1.0
147.11667	15.9
149.05977	1.4
149.09605	1.4
149.12032	1.4
149.13243	27.0
150.06354	0.7
151.03883	0.8
151.07527	1.0
151.11180	4.4
155.10558	1.0
157.10115	1.6
159.02898	1.7
159.08075	0.9
159.11655	8.3
161.05919	1.0
161.13232	7.5
163.03954	1.2
163.07486	1.4
163.11227	1.3
164.07880	0.8
165.05479	1.0
165.12708	0.9
167.05635	0.8
167.07019	2.6
167.14302	100.0
168.14651	0.9
169.12222	1.8
171.07948	0.9
171.11627	0.9
173.09715	0.7
173.13232	2.8
175.14851	1.5
177.05479	1.4
177.12794	1.0
177.16397	1.2
178.09285	0.7
180.17482	6.0
181.04970	0.7
187.07574	0.8
187.10994	1.0
189.03944	1.3
189.09113	1.5
191.10634	0.9
191.14273	1.3
191.17947	1.8
198.18497	1.1
199.11266	0.7
201.16347	11.6
203.10660	1.0
203.17924	4.0
205.08604	2.6
206.09013	1.6
208.16949	16.2
209.15382	1.5
219.04970	1.0
219.17429	52.5
221.19051	1.5
226.17995	69.9
231.04976	1.7
231.17485	1.4
237.14804	1.0
237.18498	8.7
247.04312	0.9
249.06026	3.1
261.18402	0.9
269.08096	0.8
270.08524	0.9
271.05896	0.9
300.05954	1.3
327.19553	1.0
341.13696	1.7
357.13223	1.3
358.13406	3.6
379.17490	0.9
380.87753	0.7
431.20526	1.7
449.21506	0.9
467.22885	1.4
485.23923	1.0
520.20551	0.8
520.29889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05266	0.5
55.05508	8.1
55.80363	0.5
57.03435	6.9
57.07058	0.9
60.04499	0.6
60.08160	5.0
61.08487	0.9
63.97234	0.4
65.03930	1.4
67.05500	27.2
69.03393	0.6
69.07062	6.3
69.32753	5.1
71.04965	0.6
71.07378	2.4
79.05489	14.7
81.07053	24.0
83.04993	0.6
83.08617	2.6
85.06548	0.6
86.09700	22.5
87.09468	0.6
87.10030	8.0
88.03973	6.2
91.05479	7.0
93.07037	15.5
93.07623	0.9
95.04951	1.7
95.08601	19.3
96.08897	0.5
97.06528	0.5
97.10160	1.1
98.98460	6.6
99.08087	0.5
104.10715	2.1
105.07031	3.7
105.11068	0.6
106.05003	0.9
107.08580	6.8
109.06485	0.6
109.10156	7.1
117.07014	1.3
119.08586	2.9
121.10139	6.0
123.11692	1.7
124.99996	17.4
126.00352	2.0
127.00428	3.4
131.08578	2.2
133.10095	1.2
135.11696	2.8
145.10101	1.9
147.11688	1.3
149.13208	1.3
155.01135	0.7
159.11681	1.2
161.13261	1.0
161.45348	0.4
168.00555	0.4
173.02155	1.5
175.14738	0.7
184.07329	63.2
185.07686	24.1
186.07774	15.4
260.05267	0.5
261.22092	1.4
335.25772	100.0
336.26108	1.6
348.25101	2.2
450.76370	0.5
502.31915	0.7
520.32892	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.5
56.96554	2.7
57.03422	5.1
57.07069	2.5
60.04520	17.6
61.02937	1.9
65.03905	2.0
67.05166	3.1
67.05505	41.7
69.07059	14.6
70.02955	3.2
70.06592	2.2
71.04967	1.4
71.63058	3.6
79.05499	24.7
81.03415	2.0
81.07056	40.0
83.08618	4.9
86.09675	2.9
87.10049	1.8
88.03989	100.0
91.05447	13.0
93.07041	30.4
95.04969	4.2
95.08605	29.2
98.98463	49.3
104.10736	6.5
105.07044	10.7
105.11062	2.0
106.05032	42.5
107.08575	19.4
109.10165	14.0
114.55499	2.0
116.99532	2.2
117.06999	5.3
119.08577	10.9
121.10116	11.8
123.08067	2.1
123.11696	5.5
125.00036	3.2
131.08577	4.9
133.10141	8.7
135.11700	8.4
135.12605	1.6
137.13252	2.1
145.10127	5.2
147.11682	5.6
149.13272	6.1
155.01024	14.5
159.11688	3.9
161.13242	3.4
163.14801	2.9
173.02103	12.2
173.13258	3.8
175.14862	2.1
184.07324	7.2
185.07785	2.9
242.03972	1.6
243.21072	7.9
260.05255	4.2
261.22095	22.7
270.26651	1.8
273.11929	1.6
285.09906	1.5
306.92230	1.7
317.24710	2.8
335.25790	90.5
348.25287	6.3
349.49133	1.7
367.17941	1.9
415.22427	5.2
520.33282	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	520.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01872	0.9
55.05514	5.2
56.05027	0.9
56.75495	0.4
57.03427	1.7
58.99578	1.4
59.04996	6.9
60.04521	0.7
61.02910	0.5
61.65520	0.5
63.23119	0.4
65.03948	0.6
67.05501	2.2
68.99780	1.1
69.03424	5.4
69.07054	1.1
70.06600	0.9
70.17886	1.0
70.18298	1.5
71.04994	0.9
72.08138	2.0
73.02542	0.4
73.02917	1.0
73.06556	0.4
76.02224	2.8
79.05485	1.9
81.03421	1.6
81.07063	4.1
82.06615	0.6
83.04979	11.0
84.04475	1.0
84.08163	0.6
84.62164	0.4
85.02899	6.8
85.06521	0.6
86.00645	0.6
86.09725	0.7
87.04451	1.9
88.02206	0.4
91.05469	5.7
93.07044	3.9
94.06564	0.6
95.04948	1.5
95.08598	4.1
96.04453	0.5
96.08144	0.6
97.02889	77.9
97.06544	0.7
98.03166	0.4
98.06033	0.6
98.20837	0.7
99.04444	1.0
99.08099	0.4
101.06004	1.5
105.07021	5.4
107.04915	1.6
107.08601	1.9
109.02867	1.8
109.06522	2.7
109.10152	1.5
110.10476	0.5
111.02665	0.8
114.10320	0.6
115.03952	4.3
115.05448	0.8
116.01688	2.4
117.07038	0.7
119.02096	0.5
119.04943	3.0
119.08572	1.0
121.02857	0.7
121.06483	0.6
121.10135	1.1
123.04421	2.1
123.08067	3.2
124.03999	0.7
124.38164	0.5
127.03916	4.1
130.04999	0.7
131.04958	1.0
131.08559	1.8
133.04950	1.1
133.06482	2.1
133.10118	2.9
135.08072	2.9
135.11702	0.8
137.05946	3.4
137.09706	0.4
138.06381	0.5
140.06989	0.5
144.01115	1.1
145.02840	1.4
145.04970	1.0
146.03180	0.9
147.04405	8.3
147.11674	0.5
149.02333	3.1
149.05948	0.7
149.13261	1.4
150.02673	1.3
151.03926	0.5
151.07533	6.5
152.07053	1.0
153.01823	5.3
154.02164	2.8
157.04936	4.3
159.04428	1.3
159.08063	0.6
159.11649	0.8
161.06003	1.5
162.02225	2.2
163.03918	1.3
167.05711	0.7
167.07037	2.3
169.06403	0.9
173.06036	0.6
173.08107	1.2
173.13245	1.8
175.06024	8.7
175.14787	0.6
177.05493	0.6
179.04874	1.5
179.07019	8.4
183.02881	0.5
187.07468	0.5
188.07881	0.6
189.03340	0.4
191.14293	5.1
195.13773	1.2
197.06204	1.3
197.08092	18.4
198.06363	1.0
199.07524	0.5
209.15363	2.3
215.07004	4.1
215.09142	10.3
216.07382	5.1
233.10188	17.9
241.07167	0.5
243.06496	2.2
244.06859	3.9
250.12874	1.5
252.14127	1.1
253.04831	0.7
254.05196	0.9
255.06306	0.5
265.10724	0.5
270.15332	1.7
271.06009	63.6
272.06339	100.0
273.06549	5.7
288.16232	2.4
295.06049	0.9
300.06210	0.8
319.10233	18.1
320.10571	0.6
359.13525	0.6
373.17902	13.7
377.14264	1.4
379.08163	0.7
434.11649	1.0
520.11584	2.1
520.23010	1.9
520.30762	0.6
531.31348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
53.74192	0.3
55.01863	1.0
55.05510	2.2
57.03432	11.5
59.04989	0.9
60.04511	1.0
61.02929	1.2
65.03929	0.6
69.03427	3.0
69.70306	2.6
71.01366	0.7
71.04987	83.0
72.05346	0.3
73.02901	2.2
75.04475	4.2
76.02222	0.4
79.05489	0.8
81.03411	1.0
81.07028	0.4
83.04976	13.1
85.02898	100.0
86.03261	0.6
86.06063	0.4
86.87907	0.3
87.04447	2.2
91.05469	1.3
93.07059	0.5
95.04987	0.8
95.08583	0.4
97.02879	3.2
98.06004	0.4
98.20692	0.4
99.04447	3.2
101.06029	0.9
103.03934	0.9
103.05466	3.9
105.07005	1.7
107.04953	6.4
109.02925	0.8
109.06526	0.9
109.10127	0.4
110.06081	0.8
111.04434	4.3
115.03936	0.4
115.05463	1.0
117.06992	0.8
120.05681	0.6
121.06496	0.5
124.05196	0.4
126.05537	0.4
127.02072	0.3
127.03915	2.8
129.05469	41.5
131.04933	1.1
133.06496	0.5
133.14874	0.3
135.08052	5.0
139.03885	1.8
144.06520	1.6
145.05016	1.8
145.06471	1.4
146.08122	3.0
147.04465	1.2
147.06508	19.6
151.03893	0.5
153.01785	2.4
154.06236	22.6
156.45023	0.4
161.05952	0.5
162.07613	2.9
163.07533	18.6
164.09166	6.7
165.07610	0.5
167.07057	1.3
171.02896	0.7
173.06009	1.8
173.13301	0.4
175.07556	1.3
180.07491	0.4
180.08949	2.1
187.07562	0.9
193.08559	0.8
195.10153	69.6
196.10501	0.7
203.06998	0.4
205.08643	1.3
207.06529	0.7
207.10162	4.7
209.15347	1.2
213.09044	0.5
217.08521	0.4
219.10144	1.6
221.08076	3.3
221.11623	0.4
223.09679	1.2
223.61130	0.4
227.10675	0.8
235.09686	0.8
245.11668	0.6
255.10486	0.5
259.13312	1.6
261.11218	1.5
272.06268	0.4
273.07571	3.3
273.10190	0.6
287.12735	2.4
290.12277	0.5
305.13828	10.1
308.13428	1.1
326.14484	1.9
373.17950	1.8
388.59061	0.4
434.14655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01868	0.7
55.05512	3.8
57.03436	8.5
60.12003	0.7
61.02917	4.8
67.05499	1.6
69.03428	3.3
69.31777	3.8
69.32198	2.9
71.01349	1.5
71.04989	63.0
73.02908	4.2
75.04484	5.4
79.05479	1.2
81.03410	2.3
81.07057	2.5
83.04976	15.4
85.02900	100.0
85.06513	1.0
86.03194	0.7
87.04450	1.4
91.03958	8.8
91.05459	1.6
93.07058	1.7
95.01318	5.0
95.04967	1.6
95.08622	2.0
97.02896	9.6
99.04467	2.6
101.02369	0.7
101.05996	0.7
103.03928	2.5
105.07035	1.2
107.04944	1.2
107.08617	1.1
109.02864	2.5
109.10185	1.1
111.04445	13.3
113.02362	0.9
115.03969	1.5
119.04948	1.6
119.08617	1.2
121.06540	1.0
123.04456	0.9
123.11717	1.8
127.03913	7.8
129.05476	34.4
131.03412	0.6
133.10118	0.7
137.05933	1.1
141.01817	26.9
145.04935	5.8
147.04509	4.4
147.06516	19.5
147.11722	0.8
149.06030	0.9
151.07497	1.0
159.02875	8.4
159.11778	0.7
161.05925	0.8
163.06020	13.0
163.11177	1.0
164.09192	0.7
165.07629	1.6
165.12772	0.9
167.07047	0.8
171.06537	0.7
175.11230	0.9
177.04103	0.9
177.05550	0.9
181.12180	1.1
187.07526	0.8
195.06581	0.9
213.07539	0.9
239.12938	0.9
245.11673	0.8
255.08638	3.2
256.00443	1.0
269.06558	0.9
271.90625	1.0
273.09698	1.5
287.07709	2.8
291.12326	5.4
297.07590	0.9
300.06058	1.0
305.08734	4.7
309.11737	4.0
312.15250	0.7
321.08084	1.2
324.06323	0.8
325.06564	1.6
329.15994	2.6
339.09024	2.7
339.14163	0.9
340.08990	5.0
340.12640	1.1
357.15396	1.1
449.18121	1.1
476.27081	0.7
520.15503	1.8
520.36566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01871	2.0
55.05508	4.3
57.03427	3.9
57.07067	1.9
59.05009	1.5
60.45716	0.9
61.02922	1.9
67.05503	17.4
69.03426	10.4
69.07058	2.3
69.83985	2.8
69.84406	3.4
70.06581	3.5
71.05002	1.8
72.08149	7.1
73.02907	3.7
73.04746	1.1
73.96586	1.0
79.05498	3.9
79.26623	1.0
81.03424	2.1
81.07040	5.4
83.04965	3.8
84.04486	1.4
84.08148	2.5
85.02901	16.1
85.06541	10.8
86.06055	1.2
86.09693	1.9
87.04474	1.9
91.05429	2.9
91.05882	1.4
93.07037	8.3
94.68158	1.1
95.04976	4.5
95.08604	86.6
96.04412	1.0
97.02884	9.4
97.06540	2.7
98.06055	2.6
99.00914	0.8
99.04469	1.4
103.03939	2.9
105.07015	6.3
107.04935	1.9
107.08587	11.6
109.02876	3.0
109.06536	3.1
109.10163	2.7
110.02427	1.5
111.04415	1.4
113.05995	12.0
115.03921	2.6
115.08704	2.3
119.04958	2.3
119.08576	16.3
121.06522	2.4
121.10151	8.9
123.08067	36.4
123.11712	4.1
124.11207	1.1
125.05998	1.5
125.09677	1.7
127.03914	12.8
130.41031	0.9
131.08591	1.9
133.04979	2.6
133.06531	1.2
133.10143	4.4
135.08075	2.0
135.11682	16.9
137.05962	1.9
137.09621	3.2
137.13211	1.0
138.94865	1.1
145.04979	2.8
145.06378	1.1
145.10147	2.6
147.04431	4.5
147.08028	1.3
147.11682	5.9
149.04472	3.0
149.09610	30.3
151.07552	2.7
151.14806	3.4
153.01979	1.1
153.09093	2.3
161.13264	11.6
163.03813	1.1
163.11189	10.9
165.12761	8.0
167.05542	2.6
167.07001	2.1
171.11707	2.3
173.13261	2.7
174.10339	1.1
175.14859	1.2
179.06995	1.1
179.14366	4.4
181.12247	2.1
189.12727	18.6
191.03452	1.4
191.14320	10.7
191.84689	1.0
207.13800	100.0
209.15326	1.1
225.14880	7.6
271.05978	3.3
299.06140	4.5
301.74469	1.2
339.08609	1.2
339.18082	1.7
355.33450	0.9
371.20837	5.4
519.18097	3.7
519.24274	3.7
519.30774	2.1
520.17316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07897	0.6
60.82466	0.5
66.16026	0.6
67.05453	1.7
69.07045	0.9
71.03457	0.7
71.03825	1.7
79.05471	1.2
81.03391	0.6
81.07018	1.7
88.76451	0.6
89.05986	1.0
91.05856	0.7
93.06997	1.7
95.08586	0.8
99.00361	0.5
101.28865	0.6
105.07020	3.9
106.04094	0.8
106.07305	1.2
107.08549	1.6
109.10093	0.6
109.79124	0.5
116.72013	0.6
117.03395	0.8
121.06429	0.9
133.08600	0.7
134.03650	3.8
146.59427	0.6
148.13713	0.6
149.05867	0.6
149.09535	0.7
151.03894	0.6
167.05539	0.9
189.05434	1.3
195.00175	0.8
202.07832	0.9
213.05417	1.4
217.10182	0.9
240.21979	0.6
245.09576	1.9
247.07501	1.3
262.09753	0.7
273.09119	1.6
275.06979	1.0
289.08649	2.1
290.09338	1.9
294.05118	0.6
299.06006	2.0
299.99451	0.6
301.08588	1.7
305.11816	0.8
307.09534	1.0
310.04678	5.2
313.06952	1.1
317.07953	0.9
318.08801	5.3
321.07507	1.0
322.04654	1.7
322.08221	0.7
325.07062	6.3
329.07983	1.9
333.11209	6.1
336.06198	0.8
336.09854	1.2
337.07114	1.3
337.10617	1.4
345.07507	1.9
346.08334	13.0
349.06998	1.2
361.10660	31.3
363.08563	1.3
364.09338	11.1
365.10165	0.8
367.11816	3.0
379.11734	100.0
380.11957	2.0
385.10776	0.7
417.13443	0.8
418.14099	1.1
433.16415	11.2
463.17365	0.7
475.33331	0.8
501.22635	5.2
519.23749	27.0
519.40442	0.9
520.23602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1858
Annotation	Phellodensin E
Peak:m/z	Relative Intensity
51.19093	0.1
53.03943	0.7
55.01862	0.4
55.05501	0.2
57.03425	0.9
61.02925	1.0
65.03924	0.2
67.05486	0.3
69.03426	3.5
69.07024	0.2
69.76474	0.3
69.76887	0.8
71.04960	0.5
72.08108	0.2
73.02925	0.7
73.03235	0.1
79.01870	0.2
81.02969	0.2
81.03411	2.6
81.07039	0.7
83.04942	0.2
83.22688	0.1
85.02901	6.3
87.04465	0.9
90.30415	0.1
91.03946	0.3
91.05453	0.5
92.57317	0.2
93.07001	0.3
94.63883	0.1
95.08575	0.4
97.02387	0.2
97.02888	2.3
98.21551	0.2
99.04423	0.7
101.02364	0.3
101.06008	0.2
103.03915	0.3
105.07009	0.4
107.04958	0.2
107.08575	0.4
109.02885	1.0
109.10119	0.3
115.03905	0.2
119.04927	1.3
119.08530	0.2
121.02854	2.8
121.10147	0.2
123.04386	0.3
123.08035	0.1
123.11653	0.3
127.03892	1.4
133.10092	0.2
135.11671	0.2
137.05927	0.5
139.03868	0.5
145.02759	0.2
145.04922	0.4
145.09966	0.1
147.04384	0.7
147.11642	0.2
149.02368	1.0
153.06799	0.2
155.08514	0.6
161.05917	0.1
165.06938	0.9
167.03331	0.5
167.05585	0.2
167.06969	0.2
171.44241	0.2
175.07384	0.2
179.03320	0.2
181.08646	0.1
183.07997	1.2
193.06459	0.2
211.07532	2.4
213.09081	0.3
221.05945	0.5
234.15604	0.2
239.07037	3.3
249.05565	0.2
251.06989	0.2
254.05750	0.7
255.06487	0.6
259.06003	0.3
267.06497	36.9
268.06848	0.6
269.08087	0.5
271.05948	0.4
281.04330	0.3
282.05209	1.9
283.05911	0.4
285.22916	0.2
296.06763	0.3
297.07550	100.0
298.07928	1.1
299.06311	0.2
309.07501	1.0
321.07587	0.5
339.08600	3.0
339.12234	26.0
340.12634	0.5
351.08472	0.2
357.09302	0.1
357.13287	2.9
381.13461	0.9
459.12836	24.8
460.13391	0.6
501.17514	37.7
502.17838	0.8
519.18628	15.7
520.18640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1134
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03930	0.1
55.01851	0.4
55.05494	0.3
57.03426	0.3
61.02921	0.2
65.03908	0.1
67.01867	0.3
67.05499	0.9
68.99795	0.5
69.03427	1.6
69.07048	0.4
69.98602	0.5
70.06597	0.2
71.04984	0.5
72.08142	0.3
73.02908	0.3
79.05486	0.6
81.03415	1.0
81.07046	1.2
83.04967	0.4
83.08597	0.1
84.08118	0.3
85.02895	2.3
85.06515	0.4
87.00821	0.4
91.05381	0.8
93.07050	0.7
95.04955	0.9
95.08589	0.7
97.02863	0.8
97.06499	0.2
99.04443	0.4
101.06002	0.2
105.01830	0.1
105.07024	0.7
107.04989	0.3
107.08543	0.7
109.02882	0.9
109.06485	0.2
109.10135	0.5
111.04384	0.2
119.04934	1.4
119.08556	0.4
121.02850	0.6
121.06479	0.3
121.10123	0.6
122.03602	0.1
123.04414	16.3
123.11652	0.3
124.04733	0.3
125.05941	0.2
125.09632	0.2
127.03914	1.5
128.06223	0.2
129.01817	0.1
131.08566	0.4
133.02812	0.1
133.06506	0.2
133.10126	0.4
135.04399	0.3
135.08025	0.2
135.11702	0.2
137.05988	1.1
137.09628	0.1
139.03856	0.4
145.02826	0.6
145.04942	0.2
145.10081	0.3
147.03223	0.1
147.04395	2.4
147.08055	0.2
147.11650	0.4
149.02255	0.2
149.05949	0.6
149.09543	0.2
149.13232	0.1
150.06277	0.2
151.03867	1.5
153.01808	3.6
153.05403	0.1
159.02951	0.1
159.04387	0.2
159.08035	0.3
159.11635	0.2
161.05940	0.2
161.13225	0.3
163.03905	0.5
163.07538	0.4
163.11147	0.2
167.03430	0.2
167.05566	0.2
167.06998	0.4
171.02866	0.6
171.11652	0.1
173.13208	0.2
175.03900	0.3
175.07549	0.3
177.05446	0.3
177.09074	0.2
177.16309	0.1
179.03505	0.1
183.08028	0.1
185.13327	0.2
187.07538	0.4
188.50293	0.1
189.09132	0.1
193.08450	0.1
203.06999	0.1
205.08569	1.0
213.03914	0.2
215.07121	0.3
217.08563	0.2
219.10176	0.2
223.09593	0.5
225.05478	0.3
229.04959	0.2
230.11746	0.3
241.08540	0.1
242.05611	0.1
243.06546	0.3
253.04984	0.1
255.06407	0.3
256.06927	0.1
257.08179	0.1
269.07907	0.2
271.05975	100.0
272.06226	1.0
283.05811	0.2
285.07571	1.0
299.05948	0.4
311.05396	0.2
313.07156	0.2
321.11108	0.2
337.07047	0.1
339.08688	0.1
339.12201	1.3
347.12524	0.2
355.15533	0.1
357.13232	7.7
415.28168	0.2
433.11249	1.6
448.14932	0.3
501.18271	0.3
501.28064	0.2
519.11218	3.5
519.18616	0.3
519.27502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1132
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03933	0.2
53.49919	0.1
55.01865	0.1
62.48405	0.1
65.03945	0.1
67.01855	0.2
67.05488	0.2
68.99770	0.3
69.03424	0.3
70.06569	0.1
70.27172	0.4
72.08128	0.1
77.97247	0.1
79.05467	0.1
80.36070	0.1
80.62383	0.1
81.03413	0.4
81.07043	0.3
83.04949	0.1
84.08125	0.1
85.02905	0.6
87.00816	0.1
91.05450	1.0
93.07044	0.1
95.04952	0.1
95.08601	0.2
97.02867	0.3
98.20801	0.1
99.04422	0.2
105.01868	0.1
105.07005	0.1
107.04937	0.1
107.08556	0.1
109.02887	0.4
109.06522	0.2
109.10165	0.2
111.00772	0.2
118.95936	0.1
119.04957	0.5
119.08548	0.2
121.02849	0.4
123.04434	0.6
123.96182	0.1
124.04773	0.1
125.76642	0.1
127.03896	1.0
131.04904	0.2
131.08542	0.1
133.02835	0.1
135.04417	0.1
137.02296	0.1
137.05968	0.2
141.06982	0.4
145.02832	1.2
145.04897	0.3
145.06523	0.2
147.04391	0.2
147.07964	0.1
149.02328	2.2
153.01814	5.0
154.02246	0.1
159.03104	0.2
159.04390	0.8
159.08075	0.2
161.05901	0.1
163.03903	0.1
165.01830	0.5
167.06929	0.1
169.06464	0.9
171.02928	0.1
173.05972	0.3
173.13162	0.1
175.07533	0.1
177.05428	0.2
178.05916	0.1
180.10214	0.1
183.02859	0.1
185.05891	0.1
187.03873	0.2
187.06042	0.1
187.07529	0.4
193.30954	0.1
197.05992	0.8
200.04675	0.1
201.05458	0.2
203.22308	0.1
213.05484	0.1
215.07008	4.8
219.06480	0.1
225.05391	0.5
227.06943	0.1
229.05063	0.1
231.04906	0.1
243.06508	3.4
243.08948	0.2
253.04909	1.6
258.82532	0.1
271.05981	100.0
272.06311	1.1
339.11670	0.2
357.12994	0.3
384.84970	0.1
433.11151	0.4
466.56351	0.1
519.11334	1.3
519.18445	0.1
519.31262	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	519.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24684	1.6
53.03939	1.6
55.01847	2.1
55.05505	3.8
56.96563	100.0
67.05494	2.6
69.03423	6.3
69.07058	2.1
69.33996	17.5
70.06592	16.2
71.04977	2.2
72.08153	62.3
73.04755	2.5
73.08472	2.2
74.06085	2.4
74.97594	13.3
75.77922	1.9
79.05477	3.5
81.03402	4.9
81.07068	2.7
81.50018	1.7
84.04479	3.1
84.08130	12.2
84.96030	18.6
85.02904	13.7
85.03330	2.3
86.06046	2.6
86.09693	5.3
87.04468	2.6
87.09210	2.6
89.10787	18.1
91.05878	8.9
93.07076	2.5
96.08094	2.7
97.02878	11.0
97.06527	15.1
98.06063	6.4
98.06831	2.0
98.09687	7.8
98.20688	3.4
98.97584	10.1
99.04451	3.1
102.97062	6.2
105.07041	2.6
109.02839	4.6
109.06535	1.9
110.02354	4.3
114.10303	2.4
114.97093	2.1
115.08659	6.1
115.97852	2.2
116.07069	3.3
116.98605	16.6
119.04937	5.5
120.08081	1.7
120.98055	1.9
121.02913	2.0
122.05987	1.8
124.11219	9.6
124.67026	1.6
125.05962	5.4
126.05489	2.7
127.03919	27.1
128.10728	4.6
132.98105	5.4
133.06407	1.9
133.98926	2.7
134.99635	15.6
135.04361	2.2
137.05936	7.6
138.05518	2.8
146.11760	2.6
147.04399	39.1
147.05510	3.3
148.04753	3.7
149.06029	2.6
150.99138	34.4
151.00409	2.6
151.03891	7.1
152.07034	3.9
153.00647	3.7
163.00664	3.2
163.03926	2.3
167.05550	10.0
167.07016	11.6
169.00204	23.3
169.01746	10.0
173.13033	1.7
174.00714	2.1
174.99182	2.2
177.00832	2.5
177.02222	64.5
177.05475	2.8
181.01767	3.4
183.03291	4.7
185.01189	4.1
187.02693	12.6
191.03667	2.7
191.14371	1.9
193.00284	2.9
193.01732	12.9
195.03285	90.2
195.05104	4.3
197.01192	2.3
199.02814	2.2
199.06097	2.1
200.03857	2.5
201.04311	7.0
203.02161	3.1
207.03296	26.9
208.99641	4.2
209.15279	3.4
211.02786	36.4
213.04369	4.6
217.01685	5.1
218.04837	6.4
218.11749	7.6
221.01222	5.9
223.02762	4.2
225.04326	42.2
227.02390	2.4
229.01108	1.5
229.03766	8.5
235.02710	23.6
235.07574	4.4
235.14415	12.8
237.00726	3.5
239.02228	32.5
239.09308	1.8
241.03923	2.4
245.03365	5.6
248.05908	2.3
251.02255	3.6
251.06989	5.4
253.03827	48.2
255.01765	31.6
257.03387	11.3
263.07077	8.9
265.04745	2.8
265.08572	2.2
267.00046	2.3
267.06876	2.4
269.03461	3.1
271.04874	30.7
273.02744	12.5
277.03897	3.2
277.08640	4.2
278.03290	3.7
278.05927	2.1
279.01788	29.1
279.06482	12.1
280.07434	2.7
281.08240	1.9
283.02814	2.6
285.07861	4.0
290.16019	4.2
293.03348	7.8
293.08124	4.2
294.05811	1.9
295.09750	3.8
297.02808	58.1
297.07556	16.2
299.06213	16.4
306.05203	1.9
307.06180	5.2
311.04407	9.4
311.09143	1.9
313.02316	7.2
315.03799	25.7
320.04318	10.2
321.07587	12.1
323.09094	6.9
325.07053	8.1
337.02524	2.7
337.07452	2.7
339.08609	6.1
339.18225	2.6
344.97464	3.6
349.07010	8.7
352.06094	1.9
355.03348	24.1
355.07779	3.1
357.06384	2.3
367.04669	5.8
367.08649	18.3
373.04477	8.9
377.06549	4.4
381.06177	10.7
383.04446	2.5
385.05829	6.3
385.09808	3.6
395.08051	4.2
396.06012	2.6
397.06085	2.4
399.07443	5.5
401.05212	2.6
413.08691	12.7
415.03464	2.8
421.06088	2.1
428.22504	3.1
429.23227	1.9
439.07040	2.5
439.86502	2.1
443.06448	20.9
457.08051	5.7
459.05826	2.1
459.23901	2.2
461.07416	11.2
469.27954	3.9
484.09097	3.7
485.26556	2.2
500.28308	8.3
501.28604	3.2
518.30499	15.7
519.07758	6.6
519.19531	29.1
519.28467	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	518.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
54.67135	1.1
55.05505	10.7
57.03410	5.9
57.07056	1.8
60.08156	4.1
61.02911	5.1
63.96346	1.2
65.03938	1.8
67.05499	57.7
68.60822	1.1
69.03418	1.9
69.07050	10.3
71.04330	2.7
71.04973	2.4
71.07354	2.7
73.02923	1.5
79.05489	41.6
81.07051	71.6
83.04970	1.8
83.08620	6.1
83.30056	1.0
85.02899	5.1
86.09698	28.5
91.03975	1.9
91.05467	21.7
93.07034	50.4
95.04964	4.8
95.08600	65.7
97.02872	2.7
97.06528	2.3
97.10152	2.7
98.98454	2.3
99.08096	3.2
104.10702	2.8
105.07021	21.2
107.08585	42.7
109.06517	2.6
109.10146	38.0
111.08057	2.0
113.09626	1.5
117.07026	7.5
117.07721	1.3
119.08572	18.7
121.10138	33.5
123.08100	1.7
123.11698	12.9
125.00005	20.5
131.08565	19.3
133.10115	16.8
135.11671	33.5
137.09639	3.0
137.13248	4.0
139.11205	2.7
143.08464	1.2
145.10110	19.1
147.11679	14.7
149.13242	20.2
151.11197	4.2
153.12669	1.9
159.11679	15.9
159.12881	1.9
161.13290	4.4
163.14781	7.2
165.12770	2.0
170.27046	1.3
173.13275	11.9
174.13446	1.0
177.12762	1.4
184.07330	100.0
187.14809	5.7
191.14366	1.9
193.48355	1.1
201.16359	2.6
203.17769	1.3
219.21077	3.0
219.33531	1.1
229.19502	37.5
247.20563	79.8
249.21909	1.3
265.21683	5.5
299.06009	1.7
321.24207	27.2
339.25241	28.3
483.29565	2.4
518.32617	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	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05032	0.5
57.03429	0.1
58.06627	0.4
59.07389	0.1
60.08156	6.1
67.05495	0.5
69.07076	0.1
70.06574	0.1
70.88162	0.2
71.07365	3.0
79.05485	0.3
81.07027	0.5
86.09695	29.5
87.10047	0.1
91.05473	0.1
93.07031	0.3
95.08601	0.3
98.98450	2.4
104.10725	2.9
107.08566	0.1
109.10147	0.1
121.10101	0.1
124.99988	19.8
126.00326	0.1
135.11752	0.1
142.27403	0.1
143.01025	0.2
166.02625	0.1
184.07317	100.0
185.07628	0.3
258.11011	0.2
299.12640	0.1
328.46033	0.1
335.25833	0.2
500.31219	1.0
518.32391	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	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15261	0.3
55.05492	0.6
56.05020	1.1
57.03421	0.5
58.06590	1.3
60.08157	17.9
67.05504	2.5
69.07054	0.7
70.06590	0.4
71.07363	6.7
71.13097	0.7
79.05485	1.4
81.07056	1.6
84.23933	0.3
84.43319	0.3
86.09695	52.8
87.10063	0.5
91.05477	1.1
92.21239	0.3
93.07046	2.3
95.08597	1.6
95.28541	0.3
97.74532	0.3
98.98446	3.6
104.10732	100.0
105.07004	0.5
105.11037	0.4
107.08574	0.5
109.10110	0.6
113.03382	0.3
117.07058	0.3
121.10120	0.6
124.10970	0.3
124.99992	29.5
163.01450	0.4
184.07321	92.7
185.07652	0.7
204.97815	0.3
258.11008	1.1
307.69427	0.3
311.19357	0.3
313.91342	0.3
335.25906	0.6
350.33173	0.3
500.31360	8.5
518.32385	34.1
519.32593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2961
Annotation	Mycalamide B
Peak:m/z	Relative Intensity
53.03922	0.7
55.01863	4.8
55.05505	2.9
56.05032	0.5
57.03426	0.8
58.06585	1.7
67.05486	1.2
68.05002	0.6
69.03426	2.5
69.07052	0.8
70.06588	13.6
71.04974	1.2
71.61165	0.6
72.08147	8.9
73.02913	0.5
73.06539	1.1
73.08475	1.8
75.45624	0.3
79.05486	5.0
81.03418	2.6
81.07050	6.2
82.06575	1.1
83.04971	1.4
84.04489	0.6
84.08138	7.2
85.02887	4.1
85.07661	0.7
86.06061	0.6
86.09703	1.3
87.04448	2.0
91.05484	1.3
93.07036	1.4
94.06585	0.6
95.04971	1.8
95.08575	1.1
96.07623	0.4
96.08107	2.2
97.02898	1.9
97.06522	38.8
98.06055	1.3
98.09685	13.3
99.04436	0.8
100.07604	1.2
101.02347	0.4
101.05979	1.0
105.07027	0.8
107.04925	0.6
108.08094	0.8
109.02882	2.7
109.06532	0.7
109.08832	0.4
110.02379	2.6
111.02736	0.5
112.07614	1.0
113.06020	0.5
114.09138	1.0
115.03935	0.8
117.06965	0.7
119.04931	1.2
119.08568	0.8
120.08019	0.5
120.12482	0.4
121.02925	0.5
121.06468	0.6
121.10148	0.7
123.08083	0.8
124.07635	0.4
124.11219	28.1
125.05980	20.8
126.05481	0.7
127.03890	4.3
128.07089	0.8
128.10652	0.8
129.05562	0.4
130.08614	0.8
131.08603	0.5
133.10147	0.5
135.08055	1.1
135.30362	0.4
137.05981	0.7
138.05531	0.9
142.12225	0.9
143.07071	0.7
145.04982	0.6
145.10132	0.5
146.11682	0.4
147.04404	4.5
148.04781	0.4
148.06079	0.5
151.07544	0.9
152.07091	1.3
152.10754	0.9
153.07384	1.1
153.09224	0.5
163.07513	0.9
164.10698	0.9
167.05698	0.7
167.07057	2.4
169.09720	0.5
171.10034	0.4
180.10155	0.4
180.92012	0.4
182.20551	0.4
192.10280	0.8
194.11763	3.8
199.06078	0.6
201.00682	0.7
204.12384	0.5
212.09145	1.5
212.12857	1.8
218.11862	0.5
219.01797	0.5
224.12805	3.3
224.16505	1.2
235.14346	0.4
236.16513	0.6
254.13887	1.0
264.16040	0.6
266.14182	0.9
266.17554	2.3
269.10110	0.5
274.12952	0.9
276.14487	0.6
283.12164	0.4
284.18625	0.5
290.16113	0.9
296.14883	1.1
299.06143	1.1
317.07153	0.7
326.16022	0.5
338.16306	1.0
356.17014	10.4
368.17145	2.0
370.18628	0.6
374.18362	0.5
382.18539	0.9
383.18768	0.5
384.18918	0.9
386.17978	2.0
410.21405	2.2
428.22772	7.4
446.23795	2.8
458.23804	7.9
464.19409	0.4
464.54526	0.4
476.24860	2.8
500.21445	0.7
500.28500	20.3
518.29633	100.0
519.21082	0.7
519.29730	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	518.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.5
56.05030	33.0
58.25838	1.1
67.05502	3.3
69.03403	3.1
69.07064	6.5
70.06582	3.1
70.42172	1.0
71.61788	1.8
72.08140	1.5
74.06077	37.1
79.05495	3.2
81.03416	3.0
81.07050	3.3
82.02915	3.1
83.04999	5.5
84.04503	3.1
84.08105	2.5
85.02895	5.1
85.04013	2.4
85.05263	1.5
85.08897	2.0
86.09206	1.7
86.09699	24.5
91.05464	1.8
93.07008	2.4
95.04946	1.7
95.08617	2.2
96.04483	1.7
96.08134	6.9
97.02864	1.9
98.09713	1.9
99.04459	1.1
100.53696	1.0
102.03754	2.4
105.07030	2.7
107.08602	3.9
109.02883	1.5
109.10136	10.7
110.06007	1.0
113.10777	2.2
118.19999	1.0
119.08594	2.2
120.04806	1.5
121.10182	1.9
123.04419	3.6
124.04776	1.2
124.07576	1.2
124.11222	21.4
126.12789	1.3
127.03913	3.6
130.03242	7.7
132.10204	4.8
133.10136	1.4
139.05537	1.0
141.10219	15.8
147.04382	2.2
148.04282	5.2
149.05951	1.4
151.07547	1.1
152.10722	10.4
153.05429	2.1
163.03888	1.5
163.07576	1.6
167.05504	1.4
167.06949	1.2
169.13354	52.8
197.12936	2.6
209.04337	1.3
213.05569	1.4
217.04868	1.2
233.13176	100.0
245.18567	3.2
250.75314	1.0
261.12671	39.5
283.16501	2.9
285.10968	1.3
286.11459	1.2
287.05457	15.1
299.05807	3.4
300.05780	3.4
310.21011	1.4
324.06189	6.6
328.22339	10.8
339.08594	20.2
356.15680	1.4
357.09555	3.9
374.21201	5.6
379.11774	2.0
380.11847	2.1
392.22061	24.4
500.21426	1.3
501.13696	3.8
518.30432	11.5
519.14874	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03945	2.2
55.05505	9.8
57.03438	2.6
57.79782	1.1
65.03942	1.1
67.05504	20.1
69.07065	10.5
70.45003	2.2
71.05000	1.4
79.05486	17.0
81.07056	28.3
83.08628	6.6
88.24031	1.3
91.05480	14.2
93.07041	21.4
95.04968	2.8
95.08611	22.9
97.06538	1.6
97.10190	2.1
100.30105	1.2
102.81416	1.0
105.07027	17.5
107.08599	16.6
109.10169	12.1
117.07027	5.5
119.08579	16.6
121.10127	13.2
123.11722	3.6
125.31573	1.3
129.07001	2.7
131.08566	11.6
133.10124	11.9
135.11690	7.9
143.08592	4.1
145.10130	15.1
147.11697	9.0
149.13260	5.5
151.86261	1.1
153.77608	1.2
155.08588	2.4
157.10109	3.4
159.11699	11.3
161.13243	5.5
163.14842	2.5
166.44917	1.1
169.10219	1.8
171.11659	3.7
173.13264	7.0
175.14850	3.4
177.16451	1.8
181.74118	1.2
183.11674	1.4
185.13254	4.2
187.14891	4.8
189.16481	1.8
197.13301	1.4
201.16397	3.1
213.16479	1.8
225.16374	1.7
241.17886	2.5
259.20554	2.8
287.23828	1.9
299.23727	1.6
301.25400	2.1
313.25455	1.5
327.27017	1.5
333.24411	1.4
407.33167	4.7
425.33905	10.8
443.35083	4.3
447.31015	1.7
459.35034	1.5
499.37976	18.4
517.38910	100.0
518.39612	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03939	1.6
55.01900	1.6
55.05509	13.4
55.78142	1.2
57.03426	4.5
65.03945	1.3
67.05501	26.1
69.03432	1.7
69.07072	10.9
71.61921	1.1
71.62408	1.5
79.05483	18.5
81.07055	28.2
83.08620	6.6
91.05488	17.5
93.07041	22.8
95.04974	2.3
95.08603	23.5
97.06523	2.9
97.10164	3.1
105.07023	20.8
107.08591	17.1
109.06532	2.8
109.10151	10.8
111.08086	2.2
117.07001	8.3
119.08582	18.7
121.10133	14.1
123.08049	2.0
123.11729	1.7
125.09605	1.4
128.33568	1.0
129.07021	3.1
131.08572	13.0
133.10126	16.4
135.11699	12.7
137.13266	1.5
141.06996	1.3
143.08614	4.2
145.10124	13.8
147.11685	11.9
149.13277	4.6
155.08580	1.6
157.10121	5.8
159.11690	10.4
161.13223	6.8
163.14816	2.4
169.10185	1.9
171.11697	5.2
173.13225	8.4
175.14821	4.3
177.16548	1.8
183.11693	2.5
185.11815	1.5
185.13145	5.7
187.14883	4.1
189.16458	1.6
197.13332	4.2
199.14893	2.8
201.16437	1.7
213.16409	1.5
218.14456	1.3
241.17841	1.8
259.20605	1.7
287.23761	1.7
313.25534	1.4
331.26566	1.3
333.24323	2.0
379.11975	3.3
405.30194	1.5
407.33057	2.3
425.34207	8.0
443.35214	5.4
464.79825	1.3
499.37875	15.8
517.38904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2712
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
52.29945	0.9
69.07080	0.7
70.96114	0.9
70.96454	1.7
75.08189	0.8
79.05505	0.9
149.33949	0.7
168.53603	0.8
217.98975	0.8
293.14880	0.8
311.12558	0.8
325.07254	0.9
337.15918	1.3
346.08170	1.0
361.10825	1.0
379.11829	5.9
412.19858	0.8
413.18732	6.3
428.20917	4.8
517.27191	100.0
518.27594	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	517.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01862	2.9
55.05497	4.5
57.03418	7.1
57.07069	2.7
65.03926	2.6
66.51852	1.3
67.05504	9.5
69.03426	15.2
69.07056	6.1
70.06625	1.7
71.04991	13.7
71.14258	1.9
71.14588	2.9
72.08150	8.3
73.02899	2.2
75.89320	1.3
79.05491	7.1
81.03426	4.9
81.07056	17.3
83.04969	10.6
84.08138	5.9
85.02900	22.8
85.06537	7.2
86.09696	2.2
87.04478	2.1
91.05469	13.0
93.07025	14.8
95.04958	10.9
95.08589	12.8
97.02888	8.8
97.06525	3.8
99.04443	2.9
99.08097	2.3
101.92890	1.4
102.90900	1.5
105.07024	15.2
107.04939	3.7
107.08584	19.3
109.02875	5.9
109.06509	25.1
109.10151	12.5
110.02368	1.9
111.04436	2.2
111.08054	5.3
112.07667	1.6
113.05992	1.5
115.03941	2.4
115.05464	1.5
117.07022	1.6
119.04927	6.2
119.08585	7.9
121.02876	5.4
121.06492	4.5
121.10122	15.0
123.04425	9.4
123.08066	5.4
123.11716	4.7
125.05987	2.8
125.09624	3.5
127.03889	5.2
129.05440	5.0
131.04941	2.5
131.08546	7.9
133.05003	2.6
133.10120	100.0
135.08057	15.7
135.11673	5.6
137.02327	3.5
137.05997	8.6
137.09596	55.6
139.07536	2.8
139.11139	2.8
141.09111	1.5
143.08588	1.8
143.10657	1.9
145.02843	1.8
145.10139	5.8
147.04422	21.7
147.08047	2.4
147.11665	5.7
149.05975	3.3
149.09569	3.8
149.13261	10.1
151.11069	4.0
153.01842	1.9
153.09087	3.4
157.10060	2.5
159.11719	3.7
161.05960	2.1
161.13269	2.2
163.03914	2.5
163.07513	3.1
163.11148	8.2
163.14775	1.7
165.12785	2.4
167.07039	12.4
173.09547	1.9
173.13264	7.1
175.03783	1.7
175.11205	2.1
175.14697	1.9
177.05519	3.6
179.10735	2.4
181.12245	3.2
191.14287	55.9
192.14638	2.1
193.08600	2.8
193.12247	8.3
195.13809	2.0
199.07506	2.2
201.05368	1.8
205.12218	8.1
209.11798	2.7
209.15343	34.2
211.13245	14.0
219.06609	2.7
219.10156	3.2
223.13234	7.8
253.18077	2.8
255.06477	29.1
256.06717	2.1
271.16849	1.7
283.05856	3.2
289.17966	2.2
289.89944	1.6
295.05899	3.6
296.06577	2.1
299.05701	1.7
301.21680	1.9
307.05930	3.5
308.06253	1.8
309.07532	3.3
313.07382	2.6
321.07623	3.3
325.07083	3.3
325.19827	2.2
333.07239	1.8
337.06906	3.0
337.10522	4.9
342.11111	3.2
348.09174	1.6
349.06995	2.6
355.11624	6.8
367.08072	3.1
379.07553	2.6
409.09393	2.1
427.28326	3.5
445.29688	4.5
463.30713	4.3
481.11349	3.0
481.31662	2.6
499.18338	4.0
517.21423	7.5
517.31012	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	517.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95348	0.6
53.03955	1.4
55.01857	1.5
55.05473	0.8
56.96548	0.7
57.03420	1.2
58.06595	5.2
61.02920	2.2
65.61716	0.6
67.05484	1.6
69.03428	9.4
70.06590	8.2
71.04992	2.1
71.62451	0.7
71.62823	0.8
72.08157	8.0
73.02899	1.1
74.06077	3.3
74.24954	0.6
75.87708	0.6
76.59310	0.6
79.05482	1.7
81.03415	5.4
81.07049	1.5
82.06564	2.8
84.08136	5.9
85.02901	7.4
86.06112	0.7
86.09705	0.6
87.00819	2.4
87.04468	3.7
91.05478	1.8
94.06561	0.7
96.08134	6.2
97.02896	4.2
98.06054	3.1
99.04469	2.0
100.07619	7.0
102.09166	0.9
103.63326	0.6
105.07029	0.7
108.08105	1.3
109.02842	3.5
109.06506	3.0
109.10140	1.3
112.07612	3.4
118.08649	29.2
119.04980	1.1
119.08598	0.7
120.08134	1.5
122.06048	0.9
122.09645	0.9
124.07594	6.5
124.11229	2.7
127.03905	5.4
133.06418	0.7
134.09674	4.0
135.63503	0.7
136.07568	2.1
136.11246	0.9
138.09132	2.1
138.86601	0.7
145.04922	1.0
145.76674	0.8
146.09634	1.3
147.04398	5.8
148.04745	0.7
148.07599	2.2
150.09145	2.7
150.12823	1.5
152.10701	32.7
159.02919	1.1
160.11214	1.7
162.09142	7.5
162.11224	1.0
162.12775	0.9
163.03940	0.7
164.10712	8.4
169.09761	1.0
174.12805	2.8
176.10692	0.9
178.12263	30.0
179.55228	0.6
186.32993	0.6
190.12254	19.4
192.13829	2.4
193.13406	2.0
202.12270	5.2
218.11850	1.3
220.13327	26.9
229.38596	0.6
235.14474	3.4
238.14622	4.3
251.17609	1.8
257.04123	0.6
269.18591	43.8
282.11923	0.8
324.16586	0.9
368.15421	1.4
431.23770	3.0
473.24957	10.1
499.22629	1.7
517.23926	100.0
518.24207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2223
Annotation	Aerucyclamide C
Peak:m/z	Relative Intensity
57.45536	0.8
67.05444	3.2
69.07034	1.1
71.63042	1.3
72.08122	0.8
72.13835	0.7
77.98634	0.7
79.05483	3.4
81.06989	2.3
83.04934	1.6
86.09650	0.8
90.68861	0.7
91.05480	4.9
93.06970	2.4
95.04922	1.1
95.08572	1.4
104.10690	0.8
105.07024	8.1
107.08524	3.2
109.06463	1.8
109.10152	1.3
111.01006	0.7
111.64310	0.7
111.82450	0.7
112.99989	3.7
117.03399	0.9
117.06941	1.2
119.08504	2.1
121.10081	1.2
123.08006	1.0
123.11674	0.7
128.66626	0.8
133.02814	0.8
133.10115	8.5
134.03633	3.8
135.08046	0.9
145.10153	0.6
149.13155	0.8
151.03896	1.3
159.11575	0.6
161.05972	0.7
179.14278	1.8
184.07333	1.6
185.05975	1.0
187.75667	0.7
189.05371	1.4
195.82338	0.6
213.05457	1.3
217.10196	0.8
219.08029	0.8
234.10306	0.7
245.09529	1.5
261.09119	2.2
265.08572	0.7
273.09137	1.6
281.11374	0.7
289.08569	2.6
290.09406	2.9
301.08441	1.4
307.09439	1.2
310.04675	3.2
318.08917	5.1
321.07532	1.0
322.08289	1.0
325.07040	6.6
329.08029	2.3
331.26331	2.3
332.66040	0.9
333.11188	5.1
337.07214	2.0
343.09570	0.8
345.07523	2.3
346.08316	11.0
349.07068	1.1
351.08701	1.7
361.10669	27.1
363.08511	1.8
364.09454	8.8
367.11707	4.6
377.10406	1.5
379.11740	100.0
380.12079	1.4
393.13354	1.1
405.29959	3.6
427.11841	1.0
429.13345	1.9
443.14819	1.3
456.15717	1.1
457.16583	1.1
459.18027	1.0
499.21133	25.4
517.22217	32.9
517.29065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92499	0.5
52.91096	0.5
53.03921	1.4
55.01846	1.5
55.05479	1.7
57.03423	2.4
61.02918	2.8
61.03160	0.5
63.73144	0.5
65.03929	0.8
67.05496	3.1
68.99785	4.3
69.03423	10.4
69.07042	0.8
69.88518	1.2
69.88932	1.6
71.01327	1.0
71.04980	1.3
73.02889	2.1
79.05481	3.2
81.03410	4.0
81.07044	6.8
83.04976	14.0
85.02897	18.0
85.06514	0.5
87.04440	1.4
91.03934	1.1
91.05464	5.1
93.07043	3.7
95.04971	5.0
95.08594	1.9
97.02883	6.8
97.06453	0.7
99.04429	1.7
101.02367	0.8
103.03917	0.6
103.05444	2.0
105.03377	0.6
105.07024	6.3
107.04956	2.9
107.08552	1.5
109.02869	2.9
109.06489	0.9
109.10155	0.6
111.04456	0.6
115.05444	2.0
117.06996	2.3
119.04943	1.6
119.08578	1.6
121.06481	6.7
121.10130	1.0
123.04417	100.0
123.11673	0.8
124.04747	0.6
127.03904	6.7
129.07008	1.1
131.04901	1.3
131.08577	2.5
132.34254	0.5
133.06477	2.2
133.10127	0.9
135.04399	1.9
135.08035	1.1
137.05980	2.9
139.03897	0.9
141.06996	1.1
143.08595	1.2
145.04953	2.1
145.06468	4.6
145.10115	1.2
147.04411	4.3
147.08011	3.5
148.05208	1.1
149.05969	46.4
151.07547	4.9
153.05466	1.2
157.10136	0.9
158.07286	1.3
159.08020	3.7
160.08784	0.8
161.05971	2.7
161.09599	0.7
162.06853	0.6
163.03871	6.2
163.07532	42.3
165.05531	2.3
165.06795	0.6
167.07076	0.7
167.08589	0.8
169.06422	0.6
171.08112	0.6
173.05989	0.8
173.09622	6.3
174.06837	0.8
175.07536	11.8
176.08360	2.2
177.05458	9.2
177.09163	1.7
181.04913	0.7
182.05479	0.5
184.07364	0.6
184.08925	0.6
185.06059	0.6
186.06775	0.6
187.03900	0.5
187.07550	2.7
187.11180	1.0
188.08315	1.2
189.05444	2.4
189.09073	3.3
191.10652	13.7
195.08028	0.6
200.08446	0.8
201.09090	15.7
201.10941	0.9
203.10626	3.5
204.07735	0.8
205.12317	1.1
211.07527	0.5
213.09067	1.1
215.10664	5.9
217.12427	0.9
219.10149	37.4
225.09099	0.6
227.07262	0.6
227.10614	2.9
231.10039	0.6
233.11726	9.2
245.11723	4.1
267.10248	1.1
269.08160	1.7
271.60327	0.6
273.11203	1.1
280.95657	0.5
285.07788	2.4
285.11154	22.3
299.05786	0.9
299.09073	7.9
325.07028	1.2
327.15884	1.1
337.10651	2.1
337.14468	7.9
341.10187	0.6
353.26517	2.9
355.11710	2.2
355.15414	33.6
356.15814	0.7
361.10892	0.6
377.10492	0.9
379.11777	1.0
381.12881	0.6
447.16571	0.9
461.14999	0.6
499.20810	0.7
517.20898	27.9
517.31842	2.9
518.21704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92499	0.5
52.91096	0.5
53.03921	1.4
55.01846	1.5
55.05479	1.7
57.03423	2.4
61.02918	2.8
61.03160	0.5
63.73144	0.5
65.03929	0.8
67.05496	3.1
68.99785	4.3
69.03423	10.4
69.07042	0.8
69.88518	1.2
69.88932	1.6
71.01327	1.0
71.04980	1.3
73.02889	2.1
79.05481	3.2
81.03410	4.0
81.07044	6.8
83.04976	14.0
85.02897	18.0
85.06514	0.5
87.04440	1.4
91.03934	1.1
91.05464	5.1
93.07043	3.7
95.04971	5.0
95.08594	1.9
97.02883	6.8
97.06453	0.7
99.04429	1.7
101.02367	0.8
103.03917	0.6
103.05444	2.0
105.03377	0.6
105.07024	6.3
107.04956	2.9
107.08552	1.5
109.02869	2.9
109.06489	0.9
109.10155	0.6
111.04456	0.6
115.05444	2.0
117.06996	2.3
119.04943	1.6
119.08578	1.6
121.06481	6.7
121.10130	1.0
123.04417	100.0
123.11673	0.8
124.04747	0.6
127.03904	6.7
129.07008	1.1
131.04901	1.3
131.08577	2.5
132.34254	0.5
133.06477	2.2
133.10127	0.9
135.04399	1.9
135.08035	1.1
137.05980	2.9
139.03897	0.9
141.06996	1.1
143.08595	1.2
145.04953	2.1
145.06468	4.6
145.10115	1.2
147.04411	4.3
147.08011	3.5
148.05208	1.1
149.05969	46.4
151.07547	4.9
153.05466	1.2
157.10136	0.9
158.07286	1.3
159.08020	3.7
160.08784	0.8
161.05971	2.7
161.09599	0.7
162.06853	0.6
163.03871	6.2
163.07532	42.3
165.05531	2.3
165.06795	0.6
167.07076	0.7
167.08589	0.8
169.06422	0.6
171.08112	0.6
173.05989	0.8
173.09622	6.3
174.06837	0.8
175.07536	11.8
176.08360	2.2
177.05458	9.2
177.09163	1.7
181.04913	0.7
182.05479	0.5
184.07364	0.6
184.08925	0.6
185.06059	0.6
186.06775	0.6
187.03900	0.5
187.07550	2.7
187.11180	1.0
188.08315	1.2
189.05444	2.4
189.09073	3.3
191.10652	13.7
195.08028	0.6
200.08446	0.8
201.09090	15.7
201.10941	0.9
203.10626	3.5
204.07735	0.8
205.12317	1.1
211.07527	0.5
213.09067	1.1
215.10664	5.9
217.12427	0.9
219.10149	37.4
225.09099	0.6
227.07262	0.6
227.10614	2.9
231.10039	0.6
233.11726	9.2
245.11723	4.1
267.10248	1.1
269.08160	1.7
271.60327	0.6
273.11203	1.1
280.95657	0.5
285.07788	2.4
285.11154	22.3
299.05786	0.9
299.09073	7.9
325.07028	1.2
327.15884	1.1
337.10651	2.1
337.14468	7.9
341.10187	0.6
353.26517	2.9
355.11710	2.2
355.15414	33.6
356.15814	0.7
361.10892	0.6
377.10492	0.9
379.11777	1.0
381.12881	0.6
447.16571	0.9
461.14999	0.6
499.20810	0.7
517.20898	27.9
517.31842	2.9
518.21704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1703
Annotation	Iicoisoflavone A 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03905	0.8
54.67733	0.2
55.01855	0.4
55.05482	0.3
57.03434	1.6
59.04973	0.3
61.02915	1.6
65.03889	0.3
67.05494	1.4
69.03421	6.6
69.07037	0.6
69.47131	2.1
71.01324	0.4
71.04956	0.8
72.08130	0.3
73.02915	1.3
79.05461	0.6
81.03413	2.6
81.07041	1.7
83.01314	0.4
83.04936	0.5
83.08588	0.4
84.08140	0.3
85.02897	13.9
85.06515	0.9
86.09667	0.2
87.04430	0.8
91.03916	0.3
91.05432	1.0
93.07002	0.9
95.04926	0.7
95.08598	1.4
97.02882	4.1
97.06487	0.4
97.10164	0.3
99.04422	1.1
103.03912	0.5
105.06995	0.6
107.04906	0.7
107.08553	0.9
109.02862	2.6
109.06487	0.5
109.10088	0.9
113.05967	0.3
115.03904	0.3
115.05408	0.4
117.07005	0.2
119.04889	0.6
119.08520	0.7
121.02850	1.0
121.06457	0.3
121.10098	0.7
123.04418	1.9
123.08028	0.4
123.11659	0.3
127.03906	3.4
131.04858	0.4
131.08585	0.4
133.02795	0.3
133.10103	0.6
135.04358	0.2
135.08003	0.3
135.11629	0.5
137.02307	0.4
137.05917	0.9
137.09557	0.4
141.01773	0.2
145.04926	1.2
145.06322	0.2
145.10139	0.3
147.04376	1.0
147.11647	0.3
149.02272	0.3
149.05930	0.5
149.09587	0.3
151.07536	0.3
153.01753	0.9
153.05414	0.3
159.04427	0.2
159.11722	0.3
161.06001	0.2
163.03879	0.2
163.07550	0.4
165.01816	1.3
165.06999	0.2
167.07001	0.3
175.14777	0.2
177.05432	0.6
179.03462	0.3
179.10695	0.3
181.06477	0.4
183.02908	1.1
183.04279	0.3
187.07434	0.5
189.05409	0.4
199.07498	0.7
201.05414	0.7
201.08998	0.2
203.03368	0.3
207.06375	0.3
213.09071	0.4
219.10088	0.2
239.07005	0.6
248.08401	0.2
253.08832	0.2
254.05624	0.4
255.06540	1.9
267.06528	1.9
269.08035	5.5
271.06113	1.1
279.06439	0.3
281.08109	0.5
283.05981	42.1
284.06293	0.5
295.06024	6.3
295.09515	0.7
296.06717	0.3
297.07443	1.8
299.05383	0.4
305.07819	0.3
307.05942	1.2
308.06775	0.7
309.07449	0.8
309.11298	0.7
311.05188	0.3
313.07043	2.8
319.06311	0.4
319.09573	1.4
321.07538	0.6
322.08389	1.7
325.07172	2.1
325.10614	0.4
327.12390	0.3
331.09851	0.3
335.09146	0.2
337.06946	3.0
337.10693	11.8
349.10703	0.7
353.10190	0.4
354.10547	0.6
355.11707	100.0
356.12109	0.5
361.10620	0.3
379.11862	1.1
397.12726	3.6
421.12708	0.6
460.42407	0.3
463.33313	0.2
473.32584	0.5
481.14841	0.3
499.11633	2.0
517.17041	13.9
517.29913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01850	0.3
55.05483	0.4
57.03387	0.3
59.31964	0.3
61.02888	0.4
63.78957	0.3
64.91072	0.3
65.03946	0.3
65.80873	0.3
67.05480	1.1
68.99783	0.3
69.03421	1.5
69.07032	0.4
70.88633	0.2
70.88992	0.6
71.12807	0.2
79.05480	0.5
81.03389	0.9
81.07020	0.9
83.04934	0.3
85.02903	2.4
91.05459	0.8
93.07004	0.5
95.08553	0.5
97.02882	0.7
105.07000	0.7
107.04916	1.8
107.08598	0.4
109.02876	0.6
109.06453	0.4
109.10137	0.4
114.63817	0.3
118.04161	2.8
119.04955	0.3
121.02834	1.0
121.06438	0.3
123.04409	1.9
127.03886	1.0
133.02850	0.4
133.06422	0.5
133.10121	0.6
137.02342	0.8
137.05954	0.6
141.06808	0.3
145.02777	0.3
145.04947	0.6
145.10168	0.3
147.04367	0.9
149.02318	0.3
149.05981	0.5
151.07562	0.3
154.02626	1.3
155.08432	0.2
156.05629	0.4
163.03891	0.8
165.01901	0.5
167.03336	0.3
170.07187	0.4
175.07474	0.3
177.01877	0.4
181.06496	0.5
183.02905	0.4
185.06010	0.3
195.08017	0.3
197.05940	1.6
198.06816	0.7
201.05437	1.0
203.06894	0.3
210.06740	0.4
213.09103	5.1
219.06487	0.3
219.10190	0.4
226.06197	3.4
237.05431	4.3
239.07054	1.1
241.08551	0.5
245.09679	0.5
253.04962	3.4
254.05731	6.4
255.06508	0.4
263.10590	0.6
267.06503	3.5
269.08066	97.8
270.08435	1.2
271.05908	0.6
276.07761	0.6
277.08627	0.3
279.06424	0.9
280.07297	0.3
281.08234	0.5
281.11700	0.5
283.05997	20.0
284.06342	0.4
291.10123	0.8
293.08105	0.6
295.02820	0.4
295.05997	5.1
295.09604	1.5
297.07474	0.6
299.05444	0.4
307.06009	2.8
308.06720	2.8
309.07574	1.9
309.11136	0.9
316.25797	0.3
319.09607	4.8
321.07608	2.0
322.08356	3.8
337.10672	100.0
338.11115	1.0
339.59109	0.3
345.39529	0.3
349.10703	1.0
355.07898	0.6
355.11768	3.3
355.15567	0.4
381.19220	0.3
487.31528	0.3
499.15839	2.4
517.13867	1.0
517.30377	0.6
543.00146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1704
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
52.82291	0.1
55.01838	0.6
55.05505	0.8
56.96540	0.2
57.03400	0.3
57.07034	0.4
61.02896	0.3
64.02187	0.2
64.40239	0.2
67.05499	1.0
68.99772	0.3
69.03429	1.4
69.07019	0.7
69.49911	0.2
70.06561	0.4
71.04935	0.4
71.62850	0.2
72.08112	0.8
79.05488	0.9
80.05769	0.2
81.03429	0.9
81.07054	1.8
83.04945	0.3
83.08584	0.4
85.02906	2.2
85.06493	0.7
86.09657	0.2
87.04443	0.2
91.05473	1.3
93.07039	1.4
95.04897	0.3
95.08611	1.6
96.08903	0.2
97.02891	1.5
97.06473	0.8
97.10098	0.2
99.04441	0.3
99.08068	0.2
100.11199	0.7
105.07021	1.1
107.04903	0.7
107.08601	0.9
108.08864	0.3
109.02859	0.5
109.06501	0.4
109.10162	1.0
110.10419	0.2
111.04395	0.4
111.08006	0.3
119.04887	0.5
119.08532	0.6
121.02801	0.5
121.06483	0.4
121.10087	0.8
123.04460	1.0
123.08064	0.3
123.11638	0.6
125.01295	0.2
127.03923	1.5
128.06190	0.2
131.08556	0.4
133.06456	0.2
133.10112	0.4
135.04356	0.8
135.08029	0.3
135.11671	0.3
137.02342	2.0
137.05896	0.5
139.03860	0.2
139.11006	0.2
141.01839	1.0
145.06396	0.2
145.10097	0.3
147.04393	1.1
147.11613	0.5
149.05875	0.3
149.09538	0.3
151.07487	0.3
156.13786	0.4
159.04358	0.3
159.11678	0.2
161.05890	0.3
161.13210	0.2
163.03822	0.4
165.01822	2.4
165.05466	0.3
165.12677	0.2
167.07057	0.9
169.06412	0.3
171.06480	0.2
171.11673	0.2
175.07527	0.2
177.05453	0.3
181.04956	0.2
182.15364	0.3
183.02916	2.8
187.07574	0.3
187.14738	0.2
189.05382	0.2
189.09090	0.4
193.08582	0.2
197.05913	0.3
199.07579	0.2
201.05373	0.8
201.09116	0.3
210.14871	0.3
213.05426	0.2
215.07060	0.4
225.05421	0.5
231.06543	0.2
243.06465	0.6
253.04962	0.6
255.06554	0.3
267.06473	0.3
269.08121	1.0
271.05972	1.4
281.04462	0.7
283.06009	2.1
295.06012	0.8
295.09314	0.2
299.05490	100.0
300.05774	0.6
307.05920	0.5
311.05560	0.2
319.09613	0.3
321.07428	0.5
322.08145	0.4
325.06909	0.4
331.09729	0.7
335.09164	0.3
337.06952	0.2
337.10623	2.3
349.10681	1.5
353.10068	0.3
354.10461	0.6
355.11740	36.3
356.11829	0.2
361.10788	0.3
367.11850	0.3
379.11743	0.6
397.13016	0.2
416.81744	0.2
444.32007	0.4
445.12863	0.3
462.32950	0.3
463.13898	0.7
473.32254	1.0
473.96100	0.2
481.14920	1.8
499.15173	0.9
516.35724	0.4
517.17310	1.8
517.30609	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	517.1707
Annotation	Iicoisoflavone A 7-O-glucoside
Peak:m/z	Relative Intensity
53.03944	0.4
53.80854	0.2
54.82695	0.2
55.01870	0.3
55.05505	0.3
57.03422	0.4
61.02907	0.3
64.53651	0.2
65.03928	0.3
67.05500	1.1
68.99770	0.3
69.03405	1.1
69.07053	0.3
70.06591	0.3
70.16520	0.7
71.04984	0.3
72.08141	0.4
73.02910	0.3
79.05470	0.4
81.03408	0.6
81.07043	1.2
83.04982	0.3
84.33380	0.3
85.02896	2.8
85.06525	0.3
86.09698	0.4
91.05488	1.1
93.07048	0.7
95.04933	0.5
95.08583	0.9
97.02883	1.1
99.04433	0.4
103.03936	0.4
103.05413	0.3
105.07022	1.0
107.04974	0.4
107.08583	0.7
109.02882	0.6
109.10117	1.2
119.04924	0.5
119.08574	0.6
121.02837	1.1
121.06503	0.5
121.10123	0.5
123.04421	3.1
123.11649	0.4
127.03900	0.9
129.06987	0.3
131.04904	0.3
131.08543	0.4
133.10118	0.6
135.04456	0.4
135.11662	0.9
137.05952	0.5
141.01810	0.4
145.02808	0.4
145.04924	0.5
145.06479	0.4
147.04411	0.9
149.05988	2.0
149.13222	0.3
153.01903	0.2
157.06439	0.3
159.08070	0.3
159.11678	0.3
163.03850	0.3
163.07541	0.3
165.01839	0.8
167.03352	0.3
167.07085	0.5
171.07924	0.3
173.05934	0.3
175.07472	0.4
177.01793	0.5
183.02907	0.8
187.07451	0.6
189.01811	0.2
191.06987	0.4
191.10666	0.3
193.15845	0.4
197.05949	0.4
201.05470	0.5
201.09027	0.6
202.72343	0.2
207.06511	0.3
211.07484	0.5
211.16867	0.5
215.07021	0.3
219.10179	1.3
229.04971	0.3
231.08141	0.3
232.06210	0.2
239.07053	0.7
245.09717	0.5
248.08279	0.3
253.08641	0.3
255.06459	1.3
263.10785	0.6
267.06519	3.9
271.05951	0.8
276.07867	0.5
279.06448	0.7
280.07269	0.4
281.04956	0.2
281.08090	1.1
281.52991	0.2
283.06000	21.3
291.10172	0.8
293.07953	0.3
294.05341	0.3
295.06003	5.9
295.09589	1.4
297.07501	0.8
299.05508	3.0
304.07309	0.3
307.05975	2.4
308.06769	3.4
309.07504	1.9
309.11215	1.0
319.09634	5.0
321.07526	1.5
322.04825	0.4
322.08383	4.3
337.10681	100.0
338.11096	0.8
355.11664	2.6
355.15445	2.0
445.29108	0.5
461.10822	0.4
499.16028	2.4
517.18237	1.0
517.29816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1703
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
53.03947	0.4
55.01869	0.5
57.03426	0.4
59.12352	0.1
61.02913	0.6
66.31550	0.1
67.05482	0.3
67.48670	0.2
68.25037	0.1
68.99815	0.2
69.03425	1.9
69.97237	0.3
69.97648	0.5
71.04990	0.2
73.02882	0.3
79.05485	0.2
81.03420	1.1
81.07038	0.3
85.02899	4.0
87.04436	0.3
91.03948	0.2
91.05452	0.2
93.07001	0.2
95.08578	0.2
97.02892	2.0
99.04445	0.4
100.31954	0.1
105.07031	0.2
107.04935	0.5
107.08560	0.2
109.02860	0.6
109.10133	0.2
117.03310	0.3
119.08625	0.2
121.10153	0.2
121.60964	0.2
123.04438	0.2
127.03914	0.9
129.79523	0.1
133.10068	0.1
134.03510	0.2
135.04378	0.6
137.02333	2.2
141.01826	1.2
141.06924	0.2
145.04936	0.3
147.04402	0.3
147.55055	0.1
149.06076	0.2
157.06477	0.1
161.05962	0.2
165.01826	2.5
169.06450	0.4
175.03923	0.3
183.02882	2.5
184.07344	0.2
187.07561	0.3
193.96674	0.2
197.06038	0.4
203.03551	0.2
215.07062	0.7
219.10188	0.2
221.04379	0.2
225.05357	0.4
227.03175	0.2
227.07056	0.5
229.04904	0.3
241.04852	0.2
243.06532	1.7
245.04462	0.2
253.04909	0.7
257.04584	0.3
271.06024	2.0
281.04395	0.7
298.04721	0.6
299.05475	100.0
300.05762	1.1
325.06863	0.3
341.06473	0.8
353.26254	0.2
355.11728	15.2
367.11490	0.2
379.11783	0.3
391.28540	0.2
395.11169	0.2
409.68271	0.2
420.97659	0.2
461.10764	11.0
517.16882	4.8
517.30756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1701
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
53.03937	0.2
55.01856	0.4
55.05493	0.2
57.03426	0.3
61.02914	0.2
69.03436	0.9
69.07058	0.2
71.04953	0.2
71.14713	0.4
72.08141	0.2
73.02898	0.2
79.05484	0.2
81.03380	0.6
81.07030	0.6
83.04955	0.2
84.78140	0.2
85.02900	1.4
91.05461	0.3
93.07039	0.4
95.08587	0.5
97.02873	0.7
102.88525	0.2
104.26855	0.2
105.07000	0.4
107.04924	0.4
109.02853	0.5
109.10137	0.3
117.03352	0.3
119.08554	0.3
121.10102	0.3
123.04402	0.3
124.82321	0.2
127.03871	0.5
131.08627	0.2
135.04378	0.5
137.02348	2.1
141.01816	1.1
143.08630	0.2
147.04424	0.3
147.11635	0.3
155.03406	0.3
155.92278	0.2
165.01834	3.2
165.05461	0.2
167.07016	0.2
169.06413	0.2
173.13200	0.2
183.02861	3.2
187.03687	0.2
187.07558	0.4
197.05951	0.4
215.06982	0.6
225.05447	0.4
227.03549	0.2
227.06956	0.2
243.06499	1.0
245.04517	0.2
253.04926	0.7
271.05984	1.5
281.04410	0.7
298.04749	0.5
299.05481	100.0
300.05844	0.7
325.06943	0.3
337.10770	0.2
341.06528	0.4
353.26685	0.6
355.11737	3.4
355.16040	0.2
361.10516	0.4
379.11887	0.6
395.11124	0.2
442.56070	0.2
447.18307	0.2
461.10764	37.6
462.10968	0.4
517.16949	11.5
517.30786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1701
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
53.03925	2.3
55.01857	1.7
56.76687	0.7
57.03407	1.2
61.02922	1.3
65.03922	1.1
67.05502	5.5
68.99782	11.5
69.03426	8.4
70.08166	3.9
71.01353	4.9
71.04980	0.9
72.05510	0.7
72.08146	0.8
73.02931	1.6
78.63231	0.8
78.63762	0.6
79.05494	4.5
81.03409	5.1
81.07043	8.1
83.04987	1.6
85.02898	12.7
87.00800	1.2
87.04459	1.2
89.02402	1.4
90.61115	0.7
91.05477	6.4
93.07047	5.6
95.04977	6.6
95.08614	3.5
97.02898	4.2
98.20864	1.0
99.04445	1.5
103.03975	1.0
103.05492	3.4
105.07021	5.1
107.04964	3.9
107.08566	2.9
109.02870	4.7
109.06479	0.9
109.10138	1.3
115.05447	1.8
117.07013	3.3
119.04924	1.3
119.08564	3.0
121.06496	8.5
121.10138	1.2
123.04421	88.9
127.03914	10.8
128.06204	1.4
128.83037	0.7
129.06982	1.8
131.04939	1.6
131.08594	0.9
133.06470	1.5
135.04411	1.8
135.08025	1.4
137.05956	2.8
143.08530	0.8
145.04935	1.1
145.06462	2.3
147.04399	14.2
147.08055	5.2
149.05969	92.4
150.06346	0.7
151.07506	3.7
153.05460	10.3
159.04391	1.2
160.05191	3.4
161.05923	3.9
163.03854	2.4
163.07536	56.1
165.01831	0.9
165.05518	4.2
167.07033	1.4
173.05965	2.7
174.06635	1.0
175.04057	1.2
175.07530	14.0
177.05417	3.4
179.08580	0.9
183.02873	2.1
185.05916	1.7
187.03874	1.8
187.07384	1.0
189.05516	6.0
189.07123	1.0
189.09030	3.6
191.06952	0.9
197.04417	1.3
197.30234	0.7
199.04041	0.8
201.05479	3.5
201.09146	1.7
203.06970	0.8
213.05505	2.1
215.07106	1.1
219.06540	1.9
219.10191	4.9
221.09691	0.9
229.04796	1.0
231.06546	1.8
233.08234	0.9
233.11845	0.8
239.07071	1.3
239.10654	0.7
244.90291	0.7
249.07495	0.9
267.10391	1.1
267.13596	1.0
281.04584	0.8
285.11194	100.0
286.11395	1.5
299.05545	9.3
299.08734	1.0
303.06128	0.9
309.11182	4.8
311.05920	0.9
311.09009	3.8
313.10693	2.7
325.07092	2.2
327.12262	5.6
337.07153	0.9
337.10721	4.4
351.07974	1.0
351.12192	2.8
353.10028	3.6
353.26520	1.3
355.11584	7.6
355.15472	5.3
375.12161	0.8
377.10144	2.8
379.11926	1.8
393.13315	4.0
395.11127	1.6
411.14206	1.5
429.15674	1.3
447.16696	4.7
481.14661	1.0
517.16907	50.8
517.29150	13.4
518.17279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1703
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
53.03923	0.8
55.01856	1.9
55.05494	1.6
57.03424	1.3
57.92081	0.6
59.04962	0.7
61.02913	2.5
65.03934	0.9
65.86480	0.5
67.05497	3.4
68.99775	2.8
69.03419	7.7
69.07055	1.8
70.06590	1.1
70.97760	0.6
71.04971	1.6
71.71819	0.6
72.08121	0.9
73.02917	1.3
79.05478	3.4
81.03411	5.2
81.07056	7.7
83.04985	1.4
84.08152	0.9
85.02901	17.1
85.06535	0.9
87.04456	1.1
91.03957	0.9
91.05475	3.5
93.07014	3.8
95.04966	4.3
95.05456	0.7
95.08594	3.0
97.02888	8.3
97.06544	1.3
97.10167	0.9
99.04441	1.4
103.05466	1.5
105.07024	3.3
107.04952	5.4
107.08572	2.8
109.02869	2.7
109.06490	4.0
109.10133	2.6
111.04427	1.9
111.08091	0.7
115.05478	0.8
117.06998	1.6
119.04938	5.7
119.08591	3.1
121.02860	16.2
121.06489	3.3
121.10149	2.5
123.04419	28.8
123.08035	1.5
123.11677	1.5
127.03905	4.8
129.06992	0.9
131.04916	1.1
131.08531	2.8
133.06526	1.0
133.10132	1.5
135.04454	3.6
135.07980	0.6
135.11667	1.5
137.02419	0.7
137.05963	2.2
139.03893	0.8
141.07033	0.6
143.08562	1.1
144.28799	0.6
145.04939	2.4
145.06419	1.9
145.10081	2.4
147.04382	3.8
147.11653	1.1
149.04893	1.3
149.05959	11.6
149.09618	0.9
149.13327	1.0
151.03905	1.5
151.07523	1.5
153.01837	1.1
153.05455	1.6
155.08490	0.8
157.10141	0.7
159.08023	2.9
161.05971	1.8
163.03876	2.2
163.07509	1.6
165.05505	1.0
165.06960	0.8
167.03377	1.1
167.07054	1.6
173.02322	1.0
173.06006	2.9
175.03894	1.2
177.01852	3.4
177.05479	2.9
177.09053	1.1
179.03406	0.9
183.02995	0.8
187.03963	1.3
187.07495	5.1
189.05484	1.8
189.09073	1.2
191.03391	1.3
191.07013	1.3
191.10576	1.1
193.08621	1.5
195.06503	0.9
197.05939	1.1
199.07498	0.7
201.05472	3.0
201.09111	2.5
203.17790	0.9
205.05035	0.9
205.08510	1.5
207.06483	1.3
211.07498	1.5
213.05486	1.0
215.06982	4.5
216.04054	0.8
217.04918	1.1
219.06519	32.2
219.10017	10.6
219.13571	0.7
226.06216	1.1
227.07083	0.9
231.06541	1.7
233.08031	6.5
233.11693	1.5
238.06151	0.7
239.07100	3.9
239.10901	0.9
245.07991	1.1
251.06898	0.7
253.12224	1.2
255.06529	0.8
261.07596	5.4
263.10699	1.1
263.27637	0.8
266.09229	1.2
267.06436	1.5
271.05835	0.8
281.08566	0.7
281.11703	21.6
283.05945	3.5
290.06149	0.8
295.05957	3.3
297.07663	0.7
299.02087	1.0
299.05405	7.8
307.06158	0.8
307.09552	0.9
309.07584	4.4
309.11115	32.8
319.09485	1.1
321.07654	0.9
322.08246	0.9
325.10471	1.7
331.09631	1.6
335.08963	0.8
337.07205	1.1
337.10669	29.8
349.10599	6.0
353.10077	1.9
354.10693	3.7
355.11679	100.0
355.15417	7.8
367.11630	1.2
480.34213	0.8
481.14825	1.4
499.16013	2.3
517.15625	3.2
517.30365	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	517.1341
Annotation	Formononetin 7-O-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
56.22290	0.1
67.05491	0.1
69.03416	0.2
70.02271	0.5
75.03670	0.1
76.22517	0.1
79.05473	0.1
81.03396	0.1
81.07024	0.2
85.02890	0.2
86.40810	0.1
89.91389	0.1
91.05534	0.1
93.07062	0.1
94.58120	0.1
95.04965	0.1
103.05464	0.1
105.07010	0.2
107.04263	0.1
107.04946	1.3
107.08572	0.1
108.02072	0.2
118.04148	2.2
121.06481	0.1
123.04419	0.2
127.03918	0.1
128.06175	0.1
133.02834	0.2
133.06471	0.3
133.10179	0.1
136.01556	0.2
137.02319	0.8
147.04399	0.2
149.74825	0.1
151.02322	0.1
151.03947	0.1
153.06921	0.1
154.02609	1.2
156.05701	0.2
158.07292	0.1
163.03894	0.3
170.07262	0.2
181.06480	0.6
182.07286	0.4
183.08000	0.1
184.05270	0.2
185.09683	0.1
195.08058	0.1
195.10135	0.1
197.05923	1.1
198.06738	0.7
200.04642	0.1
209.05997	0.1
213.09093	4.9
225.05513	0.6
226.06229	2.6
233.04271	0.1
237.05450	4.4
241.08531	0.1
245.53085	0.1
253.04955	3.5
254.05722	5.5
255.06345	0.2
267.06448	0.3
269.08060	100.0
270.08371	1.7
283.05991	1.0
295.05942	0.4
307.05896	0.1
309.07520	0.1
319.09579	0.3
321.07584	0.1
322.08405	0.2
337.10669	5.5
355.11526	0.2
500.41968	0.1
517.13373	0.9
517.27808	0.1
526.11505	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	517.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
54.71436	0.3
55.01854	1.3
57.03442	2.1
59.04994	0.4
60.51507	0.3
61.02919	2.9
65.03932	0.4
67.05505	2.2
68.99781	0.7
69.03075	0.6
69.03424	9.8
69.07047	1.4
70.75584	1.2
71.01363	0.6
71.04976	1.2
72.08130	0.5
73.02901	2.9
79.05482	1.4
81.03412	3.7
81.07048	3.1
83.01320	0.4
83.04990	0.4
83.21925	0.3
85.02897	19.0
85.06526	1.0
87.04460	2.0
91.03918	0.8
91.05460	2.0
93.07034	1.6
95.04936	1.3
95.08599	1.8
96.94001	0.3
97.02887	7.9
97.06528	0.8
97.10143	0.4
99.04430	1.8
103.03941	0.8
105.03376	0.7
105.07004	1.6
107.04950	1.0
107.08586	1.4
109.02873	2.9
109.06490	1.1
109.10143	1.9
115.03963	0.6
117.07037	0.5
119.04944	0.8
119.08559	1.9
121.02868	1.7
121.06480	0.7
121.10119	1.4
123.04408	6.1
123.08070	0.8
123.11689	0.9
125.09579	0.5
127.03910	6.2
129.06992	0.5
131.08575	1.0
133.04932	0.4
133.06453	0.6
133.10100	1.1
135.04381	1.0
135.08073	0.6
135.11661	1.7
137.05965	0.9
137.09590	0.7
143.08472	0.4
145.04916	2.2
145.06454	0.4
145.10126	1.3
147.04388	1.5
147.11710	0.8
149.05963	1.9
149.13248	0.6
151.03888	0.5
151.07477	0.6
151.11171	0.4
153.05428	0.7
159.08000	0.7
161.02309	0.5
161.05923	0.5
163.03848	0.5
163.07539	0.9
165.01753	0.4
165.06999	0.4
165.12712	0.3
167.07033	0.8
172.96587	0.3
175.03882	0.7
175.07507	0.9
175.14804	0.5
177.01804	0.6
177.05449	0.8
179.03372	0.7
183.02876	0.5
185.05824	0.3
187.07495	0.8
189.09085	0.4
191.06993	0.5
191.14374	0.4
193.08476	0.4
193.15855	0.5
197.06004	0.6
199.07507	0.4
201.05450	1.5
203.03372	0.6
203.07092	0.5
203.10580	0.4
205.15863	1.3
207.06398	0.5
211.07558	0.6
211.16841	1.7
213.05426	0.5
215.06982	0.5
219.06569	2.5
219.10133	1.3
221.04385	3.9
221.11812	0.4
223.16837	1.2
227.06888	0.5
233.07964	0.5
237.05490	0.6
239.07170	0.9
253.08710	0.9
255.06552	1.9
257.16483	0.8
265.04922	1.0
266.05692	0.6
267.06479	1.6
271.05957	0.8
271.09549	0.5
281.07971	1.3
281.11676	1.0
283.05978	18.8
284.06223	0.5
285.07501	0.4
293.04495	0.8
294.05243	1.0
295.06030	2.5
297.07529	1.4
299.05801	0.6
299.09070	1.5
301.21548	0.4
307.05930	0.9
308.06671	0.9
309.07538	2.9
309.11200	2.1
311.05490	3.1
319.09647	0.8
321.07669	0.8
322.04654	0.6
322.08179	0.5
323.05478	1.4
325.07040	0.6
325.10532	0.9
327.08890	0.6
331.09470	0.7
337.06943	6.8
337.10684	14.7
339.04688	0.4
340.05737	1.1
349.10715	1.9
353.06308	0.4
354.10800	0.5
355.08035	100.0
355.11813	19.3
356.08621	1.7
356.12149	0.4
367.11429	0.5
379.07867	0.6
397.09039	0.7
444.36780	0.4
445.29303	0.5
473.32315	0.5
481.14349	1.1
482.09659	0.4
499.16422	1.1
517.12036	0.5
517.18628	0.8
517.30133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.99856	0.5
55.05507	6.3
57.03425	0.7
57.07053	0.4
58.06585	2.0
59.04985	1.1
62.24451	0.4
64.51863	0.5
65.03925	1.1
67.05498	3.5
69.03421	2.0
69.07053	1.2
69.15321	0.4
69.38097	4.5
71.04979	2.2
73.02901	1.2
79.05476	1.8
81.03387	1.0
81.07057	4.6
83.04979	3.3
83.08620	0.9
84.08135	27.6
85.02888	2.4
85.06528	1.3
87.04436	0.8
91.05450	2.4
93.07037	4.1
95.04961	47.3
95.08604	2.7
97.02877	1.1
97.06528	0.8
98.21507	0.8
99.04455	3.3
100.11239	1.6
101.06005	13.8
105.07027	5.0
107.08585	7.4
109.02847	0.7
109.06514	3.5
109.10147	2.5
111.04497	0.5
111.08030	0.7
119.08555	2.2
121.10125	4.8
123.08052	1.4
123.11662	2.3
127.03879	0.8
128.10703	16.6
131.08546	2.0
133.10127	10.6
135.08008	1.5
135.11719	1.4
137.73241	0.4
143.08495	0.7
145.10092	1.2
145.21422	0.4
146.11751	11.4
147.11671	1.9
149.09564	0.6
149.13223	3.0
151.11185	0.7
153.09097	3.1
173.13272	5.4
188.12878	0.7
191.14290	6.6
209.15459	0.8
218.13788	0.7
230.13940	0.8
248.14955	0.9
254.13898	1.0
272.14847	2.8
290.12698	1.0
290.15952	20.6
308.17029	6.5
331.83496	0.5
356.42776	0.5
498.30673	8.9
499.30493	0.6
499.67273	0.7
516.31647	100.0
517.32025	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	516.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49820	8.2
53.03956	16.1
55.05502	29.0
55.67823	7.7
57.03431	12.7
67.05505	72.9
69.03429	49.9
69.07060	33.8
70.09169	7.8
71.04997	10.8
71.61861	15.2
79.05492	79.9
81.03410	46.3
81.07052	100.0
81.22447	9.0
83.04985	11.7
85.02901	34.4
91.05480	52.3
93.07040	85.7
95.04977	14.7
95.08590	69.2
97.02872	23.8
99.04440	10.1
105.07015	53.2
107.08554	55.3
109.02875	13.7
109.06501	10.1
109.10159	33.1
111.04433	9.1
116.67266	7.4
117.06995	26.3
119.08587	46.0
121.10149	38.3
123.11682	10.1
127.03904	24.7
128.59615	9.0
128.75189	9.8
129.07001	10.4
131.08591	27.0
133.10107	33.6
135.11714	35.0
143.08554	9.1
145.10126	35.3
147.08096	8.1
147.11717	31.8
149.13300	16.7
151.11256	9.9
157.10156	15.5
159.11583	18.2
161.09480	9.3
161.13251	17.9
171.11653	13.1
173.13243	15.2
191.14313	9.1
233.15216	8.3
259.20532	13.6
261.22107	15.6
267.17386	8.4
303.23285	12.3
315.23218	10.9
341.24561	13.3
361.11426	10.1
362.00412	9.6
369.24451	24.1
387.25330	32.0
405.26471	31.2
423.27420	13.6
445.87225	9.8
447.34961	8.9
532.05560	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	516.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61043	0.6
55.57204	0.5
56.05020	0.9
67.05494	1.9
69.03442	0.7
69.97903	3.5
70.06580	1.2
72.08145	1.3
81.03438	0.5
81.07104	0.7
84.08144	7.3
85.02904	2.0
86.06040	0.6
91.05482	0.8
96.92196	0.6
103.03898	0.8
106.82308	0.7
109.02866	1.1
111.04406	0.6
119.04945	2.2
121.02852	12.1
127.03920	0.7
145.02863	2.3
147.04465	1.4
179.03412	0.9
187.04015	0.7
189.01735	3.1
191.03383	1.1
194.48448	0.6
195.02916	1.8
197.05885	0.6
198.99886	0.6
203.03400	2.8
203.06894	0.6
207.02928	3.2
215.06973	0.8
217.04903	1.2
219.03015	1.0
221.04462	1.6
228.10332	0.7
230.08183	1.9
231.06554	0.8
243.06572	1.0
267.06522	1.1
271.05930	0.6
273.04044	0.7
279.06467	1.1
281.08246	1.9
283.05957	6.3
284.06714	0.8
293.08066	1.8
293.11810	0.9
295.06003	24.4
296.06674	1.8
297.07578	2.5
305.07959	1.2
306.07675	1.0
307.05975	27.6
307.08936	1.0
308.06573	1.7
309.07587	7.3
317.08145	1.8
318.08099	1.0
318.11469	1.2
319.06097	2.8
319.09537	1.2
320.06689	3.5
321.07562	10.9
321.11203	3.1
322.08209	1.1
323.09119	1.2
325.07065	10.2
330.11270	5.7
331.12604	3.8
332.09433	0.9
332.12943	1.0
333.07440	4.4
333.11069	0.8
335.05533	1.1
335.09003	5.8
336.12274	2.5
337.07047	4.2
337.10886	2.8
342.11398	1.4
343.09695	2.1
345.07428	1.3
345.11169	0.9
346.10825	1.8
347.09070	1.7
348.12296	21.2
349.07034	8.4
349.10815	7.2
351.08615	1.8
354.13297	1.8
355.12042	5.5
359.09183	0.9
360.12268	10.9
361.06952	2.1
361.10696	32.1
363.08438	1.3
366.13562	3.2
367.11789	1.0
368.12796	1.8
372.12238	0.8
373.06967	1.6
375.08667	2.7
375.12738	0.9
377.10376	1.4
378.13281	10.3
379.07965	2.0
379.12115	5.4
381.13684	1.4
384.12396	1.0
388.15353	0.8
389.13867	1.8
390.13376	1.0
391.07748	6.0
391.12088	1.6
396.14435	11.9
398.13940	1.0
399.12378	1.1
402.13474	5.4
403.11719	17.4
404.11957	1.0
407.11563	0.8
408.14383	1.7
409.09042	2.5
409.13052	2.0
414.13385	2.5
415.11502	0.8
417.13339	1.7
420.14493	11.2
421.12555	0.8
426.13943	2.9
427.11557	2.1
432.14249	0.8
433.12869	3.8
444.14423	7.1
445.12701	6.7
450.15588	2.6
462.15457	10.1
463.13821	7.7
480.16479	17.1
481.15027	5.5
486.19086	0.6
498.17557	100.0
499.17667	3.6
516.18622	66.1
516.31366	2.8
517.19141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.55386	1.3
55.05511	20.5
57.03429	8.4
57.07058	4.3
61.02899	4.8
65.03945	2.9
67.05498	86.8
69.03410	4.6
69.07060	16.8
69.37451	13.3
71.04993	2.6
73.02905	1.2
75.04440	1.5
77.50214	1.3
79.05487	53.6
81.03397	2.4
81.07049	100.0
83.04967	3.1
83.08601	10.3
85.02874	6.1
85.06525	3.8
89.18204	1.4
90.74596	1.4
91.03928	2.1
91.05478	29.4
93.07035	69.6
94.84675	1.3
95.04995	7.6
95.08598	76.0
97.02870	3.3
97.06509	4.8
97.10135	4.6
99.04431	1.5
99.08072	5.0
99.72557	1.4
103.03928	3.2
105.07017	23.7
107.08578	38.5
109.02888	1.9
109.06491	5.0
109.09451	2.6
109.10146	36.8
111.04430	1.8
111.08064	2.7
113.09642	1.9
117.07025	13.2
119.08569	22.6
121.10125	41.2
123.08047	3.3
123.11699	18.8
125.00066	1.6
125.09586	1.9
127.03873	1.7
129.05545	1.3
129.06964	3.4
131.08559	22.0
133.10132	19.0
135.08073	2.1
135.11670	29.9
137.09552	1.4
137.13223	7.0
139.11136	3.4
143.08542	4.2
145.10103	20.5
147.11682	17.3
149.13254	24.5
151.11163	2.4
151.14803	1.9
153.12738	1.7
157.10106	2.9
159.11681	18.6
161.13245	12.0
163.11140	2.0
163.14815	14.9
165.12709	2.4
171.11646	3.1
173.13246	16.5
175.14806	4.3
177.12668	3.2
177.16322	4.7
179.14220	2.1
187.14804	11.9
189.12764	1.5
191.14297	2.3
199.14803	3.2
201.16431	3.4
205.15889	2.4
209.15244	1.9
215.18025	2.3
219.17444	2.3
233.22688	2.9
243.21049	30.6
259.20557	2.1
261.22134	84.1
277.21631	1.6
279.23108	5.4
299.23749	1.5
301.21573	1.6
303.23071	3.3
327.23224	2.0
335.25720	29.9
345.24197	3.6
351.23090	2.1
353.26923	20.0
369.24066	4.6
387.25339	2.1
405.26196	2.5
419.27933	3.3
443.28006	3.0
461.28958	4.2
479.29843	3.7
497.30817	11.4
515.30273	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00838	1.5
53.03948	4.5
55.01865	2.5
55.05512	15.7
57.03427	7.7
57.07069	5.0
61.02923	3.6
65.03940	3.7
67.05499	82.3
69.03426	10.5
69.07062	20.7
69.37337	14.3
69.37766	3.7
71.01369	2.8
71.04990	4.3
71.08630	2.0
73.02918	3.1
79.05488	49.2
81.03410	6.9
81.07051	90.6
83.04936	1.9
83.08195	1.6
83.08609	9.8
85.02939	8.5
85.06523	4.1
91.03931	2.3
91.05477	33.7
93.07039	69.2
95.01315	1.9
95.04958	7.9
95.08601	76.8
97.02892	4.3
97.06525	4.9
97.10175	6.3
99.08086	4.0
103.03864	1.5
105.07021	28.8
105.07675	2.5
107.04963	2.0
107.08585	44.6
109.06510	6.8
109.10155	39.2
111.08121	2.3
113.09618	2.8
117.06996	14.2
119.08564	27.1
121.06493	2.5
121.10137	42.4
123.04435	2.6
123.08089	4.4
123.11691	21.4
125.09641	2.8
129.07034	3.8
131.08569	28.4
133.10104	23.0
135.08055	3.6
135.11684	35.1
137.09598	3.5
137.13237	9.1
139.11176	2.9
143.08522	4.0
145.06441	2.1
145.10120	23.0
147.08057	2.0
147.11699	15.5
149.09592	3.2
149.13257	21.5
151.11168	1.6
151.14784	3.1
155.08546	2.3
157.10153	3.9
159.11674	19.0
161.05983	2.3
161.13223	12.6
163.11209	3.2
163.14824	14.9
165.12788	4.3
169.10201	1.8
171.11644	4.6
173.13240	19.1
175.14807	4.6
175.59175	1.7
177.12737	3.4
177.16383	7.7
185.13290	3.0
187.14838	10.2
191.14244	2.6
197.13268	2.3
201.16431	3.9
205.15945	1.8
209.36005	1.8
215.17931	2.1
229.16026	1.7
233.22678	5.4
243.21048	29.1
245.03891	1.8
261.22116	100.0
277.21469	2.9
279.23248	5.7
285.21832	2.6
303.23160	5.7
327.23022	2.3
335.25732	14.5
345.24338	3.3
353.26843	21.6
369.24274	7.0
377.26855	1.9
387.25171	3.1
405.26294	4.2
419.28024	3.1
443.27954	1.8
449.29260	2.2
461.28976	5.1
479.29648	3.8
497.30917	7.4
515.29498	3.1
515.37115	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.01856	4.6
55.05514	20.9
57.03425	10.4
57.07066	6.3
57.90622	2.8
61.02911	7.1
62.12179	2.9
65.03927	3.5
67.05499	87.5
69.03429	23.4
69.07068	25.2
70.22559	14.8
71.04987	5.5
73.02910	5.7
75.04469	4.0
79.05054	4.4
79.05486	60.9
81.03399	13.5
81.07050	100.0
83.04978	4.3
83.08611	9.4
85.02882	11.2
85.06513	6.0
91.05475	35.6
93.06470	3.7
93.07040	72.0
95.04966	11.1
95.08596	74.4
97.02869	9.5
97.06506	5.8
97.10179	4.9
99.04488	3.6
99.08066	10.5
103.05434	3.5
105.07026	36.5
107.04925	7.4
107.08587	50.5
109.02886	3.2
109.06483	10.4
109.10132	38.1
111.08059	4.1
117.07011	23.1
119.08582	32.6
121.06482	3.6
121.10139	40.1
121.55449	3.5
123.08065	6.1
123.11733	17.5
125.09615	3.8
127.03848	4.7
129.06993	8.0
131.08559	34.2
133.06467	5.0
133.10129	31.3
135.08025	5.4
135.11678	31.2
137.09647	4.3
137.13235	5.1
143.08507	8.9
145.10149	29.2
147.08035	5.1
147.11664	18.0
147.57768	2.9
149.09653	4.7
149.13243	21.6
151.07477	4.2
151.11133	4.8
155.08531	6.0
157.10094	12.8
159.11688	25.6
161.09587	3.2
161.13237	14.3
163.14787	9.7
169.09976	4.6
171.11745	6.4
173.13287	23.4
175.07501	3.7
175.11169	7.9
175.14833	8.8
177.12767	4.4
177.16364	5.7
183.11623	4.3
185.09604	3.3
185.13280	5.4
187.14804	13.7
196.39903	3.4
197.13293	7.4
199.14799	5.4
201.16295	4.3
243.21011	22.0
261.22147	77.7
273.21927	3.7
301.21637	7.8
303.23068	8.5
315.22885	3.5
317.24646	3.0
327.23212	3.8
335.25739	10.5
345.24265	9.4
351.23145	3.9
353.26920	33.5
369.24130	14.2
377.26541	5.3
387.25186	6.4
405.26193	9.5
419.27576	6.7
443.27811	7.1
461.28836	10.8
479.29761	10.1
480.29242	3.6
497.30899	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
57.99332	0.3
62.84409	0.4
67.05485	1.1
69.07058	0.9
70.30650	0.3
70.39629	0.4
79.05477	1.0
81.07026	1.1
83.08599	0.4
91.05468	0.9
93.07027	1.1
95.08598	1.1
97.14754	0.4
102.09203	0.4
105.07017	0.5
107.08611	0.8
109.10137	0.6
109.46307	0.4
111.44944	0.4
119.08538	0.7
121.10184	0.4
131.08534	0.5
133.10217	0.5
135.11638	0.5
147.11664	0.4
165.69063	0.4
176.74684	0.5
189.16470	0.5
203.05287	0.9
207.39842	0.5
219.85623	0.4
229.66107	0.4
259.07959	0.8
335.57858	0.5
379.77856	0.4
428.35468	0.5
471.40814	0.5
514.50684	0.7
515.31830	100.0
516.32355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50653	2.5
50.93099	2.8
53.03935	6.9
55.01864	3.6
55.05506	20.6
57.03429	11.8
57.07066	5.3
61.02924	7.7
65.03922	5.2
67.05501	99.6
69.03419	10.4
69.07055	21.0
70.46483	8.8
71.01328	3.9
71.04993	6.8
73.02915	4.5
79.05489	52.4
81.03407	9.0
81.07051	100.0
83.04971	4.6
83.08619	10.4
85.02913	11.8
85.06559	3.9
91.03965	3.5
91.05478	39.2
93.07037	74.7
95.04984	14.1
95.08600	76.9
97.02901	11.1
97.06532	8.6
97.10158	6.7
99.08094	7.0
103.03951	3.4
104.02343	3.1
105.07024	35.7
107.08574	38.4
109.06501	12.9
109.10146	40.3
111.08064	3.8
117.06989	14.7
119.08574	28.4
121.06561	3.2
121.10140	37.9
123.08060	6.3
123.11704	16.9
129.06966	5.3
131.08565	27.1
133.06494	3.3
133.10132	25.1
135.08078	7.1
135.11685	25.9
137.09569	4.0
137.13205	3.9
143.08527	6.6
145.10126	22.6
147.08051	3.1
147.11642	18.1
149.09625	4.3
149.13234	20.4
155.08519	3.3
157.10078	6.1
159.11676	21.8
161.13272	9.8
163.14845	9.9
165.12698	3.7
171.11688	4.9
173.13255	17.1
174.35931	2.7
175.14833	7.1
177.16367	3.7
185.13219	3.3
187.14839	9.3
191.10670	2.9
195.11951	2.7
233.22620	3.6
243.21118	22.2
259.20959	3.1
261.22113	71.4
279.23181	7.0
285.21997	3.4
301.06982	4.6
301.21579	4.1
303.23138	6.9
335.25684	26.9
345.24155	10.9
351.22913	3.1
353.26895	23.1
369.24124	7.3
377.27103	5.0
387.25558	3.9
405.26471	6.5
419.27905	12.7
461.28845	8.4
479.30084	6.8
497.31058	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	515.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99058	0.4
55.01841	0.5
55.05510	1.8
56.96560	1.0
65.03948	0.5
69.03429	1.8
69.59362	0.5
70.06590	1.6
70.79639	1.1
70.79984	0.5
71.01351	6.0
72.08150	100.0
72.83755	0.5
73.08500	0.9
77.70672	0.6
81.07039	0.5
82.02940	1.4
83.96153	0.4
85.02914	2.5
87.04466	0.5
89.02399	6.4
89.10787	4.5
90.00222	0.5
91.05473	5.2
97.02883	4.8
98.02397	2.5
98.06063	0.9
98.97593	1.3
99.00818	1.2
107.04978	1.0
110.02397	38.2
111.02750	0.7
116.98615	0.6
119.04942	12.0
123.05592	0.8
127.03918	1.9
128.03445	0.5
128.98607	1.0
136.06200	1.9
143.01956	0.7
145.03500	1.1
145.04968	0.7
145.06502	0.5
146.99687	0.9
147.04402	48.2
148.04753	0.7
152.07059	30.5
153.07489	0.6
158.99731	0.7
161.01302	0.6
161.03076	0.7
163.02704	0.5
169.09715	23.7
172.93774	0.9
173.02989	0.9
177.00774	0.8
185.03024	1.3
189.00726	0.8
190.98618	0.6
201.00717	1.1
203.04103	0.6
208.99741	1.0
212.08363	1.9
213.09123	0.7
218.11758	10.1
219.01802	1.7
223.07652	0.7
232.99846	0.8
235.14424	6.4
237.02925	0.8
245.05046	2.6
248.75389	0.5
261.02939	0.7
265.08591	0.6
277.70029	0.5
279.03625	0.7
286.09302	1.7
307.08594	0.5
326.48865	0.6
364.15472	1.4
365.09872	1.1
381.18045	22.5
382.18399	1.2
399.19250	1.9
468.01743	0.9
497.19214	0.7
498.17966	2.7
515.13177	5.7
515.20294	51.7
516.13635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05508	2.4
56.01395	0.3
70.06582	1.0
70.31483	1.7
71.01352	3.8
72.08152	100.0
73.08493	0.8
80.01359	0.8
81.06985	0.5
82.02932	3.0
85.02892	0.4
89.02384	5.0
89.10785	0.7
91.05486	0.5
95.04984	0.7
96.08138	0.4
98.02401	4.6
98.06036	1.9
99.00811	1.2
101.79948	0.5
107.04942	1.6
110.02395	83.1
111.02728	0.5
111.61234	0.3
119.04942	1.4
121.02817	0.4
124.07607	0.9
128.03438	1.1
131.04904	0.5
145.06480	1.9
147.04390	2.4
151.08656	0.6
152.07057	61.1
153.07439	0.6
169.09715	50.6
170.08087	2.1
170.10147	0.4
180.23466	0.4
191.08493	0.5
209.09573	0.4
212.08281	1.8
213.09248	0.4
215.01857	0.7
218.11790	0.6
219.08057	0.9
223.07520	0.9
225.09071	0.4
235.14383	0.9
237.09079	1.7
247.07590	1.0
265.08627	1.2
271.60950	0.4
286.09210	6.4
293.07968	0.8
344.02039	0.4
364.15231	2.3
381.18106	10.8
382.16895	0.5
399.19180	6.2
497.19070	2.1
498.17538	6.5
507.15875	0.4
515.20239	69.5
516.20599	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	515.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
66.22160	0.3
69.53402	3.3
69.53800	0.7
70.06583	1.0
71.00948	0.6
71.01340	6.0
72.08149	100.0
80.01363	0.6
81.07051	0.4
82.02938	1.6
85.83047	0.3
89.02387	6.0
89.10799	1.4
91.05460	0.5
95.04924	0.5
95.47096	0.3
98.02424	2.8
98.06054	0.7
99.00789	2.0
102.32122	0.4
107.04942	0.8
110.02391	44.7
119.04922	1.3
128.03430	0.5
145.06450	1.1
147.04387	5.7
152.07053	36.0
153.07350	0.7
169.09709	29.0
170.08232	0.7
212.08301	2.0
213.09140	0.7
215.01952	0.4
217.13315	0.7
218.11768	1.0
223.07516	0.5
235.14467	2.3
237.09100	0.9
238.91031	0.4
247.07692	0.8
265.08652	0.7
286.09171	2.7
364.15469	1.1
381.18051	31.8
382.18674	0.8
383.00043	0.4
387.22711	0.4
399.19177	2.7
497.19199	1.5
498.17456	3.8
515.20209	50.7
516.20300	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	515.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75909	0.3
55.01864	0.4
55.05501	1.8
60.82011	0.4
70.06573	1.1
70.86269	0.8
70.86630	0.7
71.01350	6.3
72.08150	100.0
73.06559	0.5
73.08488	0.6
82.02934	1.4
86.57570	0.3
89.02391	7.5
89.10780	1.9
91.05477	0.9
98.02394	2.7
98.06067	1.0
99.00819	2.1
107.04958	0.9
110.02395	43.6
119.04966	1.1
119.72215	0.3
128.03410	0.4
145.06503	0.7
147.04399	5.9
147.05498	0.5
148.11267	0.4
151.08685	0.4
152.07054	37.4
153.07394	0.5
169.09715	24.3
170.08107	0.8
184.19882	0.4
209.09692	0.4
212.08380	2.1
213.09094	0.8
215.01884	0.9
217.13380	0.6
218.11856	1.4
235.14406	2.2
237.09123	0.9
243.12300	0.4
261.12473	0.4
265.08563	0.7
286.09109	2.2
364.15311	1.2
381.18060	28.9
382.18210	1.0
399.19351	1.9
408.04837	0.4
497.19183	0.9
498.17355	3.3
515.20190	43.4
516.20459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.8
57.02071	0.4
69.30521	2.2
69.30947	3.6
70.06577	0.8
71.01332	1.9
72.08149	100.0
73.08464	0.8
82.02939	3.3
89.02369	3.9
96.08150	0.6
98.02408	4.1
98.06030	1.6
99.00809	0.9
107.04952	1.8
110.02390	88.9
111.02795	0.5
119.04916	1.3
124.07629	0.6
138.53934	0.5
145.06467	1.5
147.04370	4.1
151.08676	0.5
152.07053	67.3
153.07428	0.7
169.09708	64.2
170.08110	1.4
207.06546	0.5
212.08374	1.4
215.01822	0.6
219.08022	0.9
223.07483	1.3
235.14352	1.6
237.09125	1.8
239.10823	0.6
247.07564	1.3
265.08621	1.3
286.09125	4.5
293.07971	0.7
364.15256	2.9
381.18066	16.6
399.19107	5.4
497.19223	2.7
498.17487	3.7
515.20209	53.5
516.20398	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.3
55.01841	0.5
55.05478	1.0
57.03407	1.0
57.07056	0.4
59.46378	0.3
60.26889	0.3
61.02889	0.9
67.05466	1.1
69.03430	4.2
69.07043	0.8
69.30224	3.5
71.04958	0.4
71.21348	0.2
74.96441	0.3
79.05450	0.8
81.03424	1.5
81.06641	0.4
81.07056	3.2
83.01294	0.4
83.04955	0.3
83.08588	0.5
85.02430	0.6
85.02896	7.2
85.06520	0.7
87.04475	0.4
91.05442	0.6
93.07031	1.7
95.04929	0.4
95.08603	2.3
97.02916	2.6
97.06483	0.7
99.04430	0.7
99.84396	0.3
105.07035	0.6
107.04985	0.4
107.08601	1.5
109.02850	1.2
109.06487	0.4
109.10160	1.7
111.04424	0.5
117.03347	0.6
119.08563	0.7
121.06414	0.3
121.10130	1.0
122.82597	0.3
123.04379	0.6
123.11678	0.9
125.05962	0.3
127.03899	1.8
131.08521	0.5
133.10094	0.3
134.03625	5.8
135.04411	0.5
135.11659	0.4
137.05942	1.1
137.09789	0.3
137.13147	0.3
139.03868	0.7
142.07880	0.3
145.04932	0.4
147.04420	0.6
147.11620	0.5
149.02316	1.0
149.09515	0.4
149.13240	0.5
151.07500	0.8
152.06180	0.3
153.05411	1.2
153.06920	0.8
159.11685	0.3
159.33235	0.3
161.05954	0.4
161.09578	0.4
163.11211	0.3
165.05440	1.0
167.03387	0.5
167.07018	1.5
169.06300	0.3
171.06502	1.6
179.03366	2.0
181.06482	2.3
183.04295	0.3
189.08965	0.3
191.10632	0.3
197.04388	1.2
209.06042	1.8
219.06548	0.8
223.09811	0.3
225.05420	0.6
226.06198	1.8
237.05455	7.1
253.08492	0.3
254.05707	0.4
265.04941	10.9
267.06567	0.6
269.08163	0.6
281.04950	1.6
281.08023	1.5
282.05215	15.2
283.06021	0.4
283.09604	0.4
295.05945	1.2
297.07553	82.7
298.08026	1.4
313.07040	2.6
321.07599	0.6
332.73077	0.3
335.09061	0.6
338.11493	0.8
339.08359	0.5
351.08282	0.4
353.10129	10.6
353.13828	100.0
354.14157	0.9
377.26974	0.4
395.14954	0.5
443.31314	1.6
461.32410	0.9
471.30942	0.7
479.33908	0.4
515.14990	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	0.8
54.70694	0.4
55.01900	0.9
55.05529	0.9
55.41494	0.4
57.03474	0.7
57.07122	0.4
61.02959	0.9
67.05499	2.8
68.99833	0.9
69.03426	4.6
69.07116	1.4
70.94769	0.7
70.95121	0.9
71.05022	1.0
71.88332	0.4
72.08183	0.5
72.82369	0.5
73.02966	1.1
75.91530	0.4
79.05489	2.0
81.03479	2.0
81.07043	4.0
83.05028	0.9
83.08678	0.6
84.08233	0.5
85.02895	7.7
85.06601	1.5
85.97789	0.5
87.04535	0.9
91.05464	3.3
92.99809	0.7
93.07027	3.1
95.04948	2.3
95.08577	2.6
97.02892	3.8
99.04505	1.0
103.05547	0.6
105.07099	1.9
107.04945	3.1
107.08051	0.4
107.08675	1.9
109.02960	1.5
109.06599	0.7
109.10143	2.2
111.04472	0.6
115.05508	0.5
117.07093	0.5
119.04922	2.1
119.08658	1.8
121.02953	0.6
121.06580	1.8
121.10204	1.5
123.04414	29.3
123.11761	1.2
127.03880	2.5
128.06296	0.5
129.07092	1.7
131.05026	0.8
132.05774	0.5
133.02893	0.5
133.06529	1.0
133.10193	1.0
135.04492	1.1
135.07959	0.5
135.11797	1.4
137.02412	1.2
137.06015	0.7
137.09711	0.7
139.07603	0.8
143.04985	0.4
145.05043	0.6
145.06548	0.9
147.04417	3.6
147.08040	5.9
147.09062	0.5
147.11752	0.9
149.06056	1.5
149.09714	0.6
149.13283	0.7
151.07603	1.1
151.11249	0.5
153.05486	1.1
155.04974	0.7
157.06532	1.4
159.08092	0.8
159.11719	0.7
161.02458	0.7
161.06052	0.9
163.03943	1.0
163.07631	0.7
163.11212	0.7
165.01935	0.4
165.05565	0.9
166.40242	0.4
167.07016	2.0
171.06601	1.3
173.06084	1.2
174.06830	0.6
175.03870	2.8
175.07507	2.2
178.14841	0.4
181.01378	1.2
183.02882	0.4
185.05930	2.6
187.03883	3.1
187.07567	0.7
189.05548	1.9
191.07039	0.7
201.05499	0.8
203.07097	1.7
207.06544	4.4
209.09604	0.7
213.05507	1.7
215.06914	2.2
216.04082	2.1
217.04927	4.3
217.08568	0.8
219.06445	0.9
223.07726	0.6
231.06496	36.6
233.09778	0.7
235.07672	0.7
236.08246	0.6
237.09164	1.1
243.06508	11.0
245.04532	0.6
247.07587	0.8
250.06279	0.5
251.10635	2.6
261.09143	1.3
264.07816	0.9
265.08636	1.6
269.67963	0.4
273.03931	1.3
276.07776	0.5
276.81577	0.4
279.10162	4.2
283.05991	11.9
283.09070	0.9
289.08542	1.2
291.06549	0.5
292.07388	1.3
293.08115	3.1
299.05505	1.4
307.09592	14.2
317.07974	2.0
320.06955	1.1
325.07007	1.0
325.10583	0.8
335.09100	82.8
336.05823	0.5
336.09528	1.0
337.06522	0.6
338.06952	0.9
339.08591	0.6
351.08527	0.7
352.08884	0.8
353.10141	100.0
354.10385	0.7
358.86160	0.6
365.10126	0.9
377.09995	0.6
395.11075	0.9
443.31601	1.0
461.32654	2.0
479.33838	1.0
497.14417	1.5
497.34769	0.5
515.15063	14.4
515.26117	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01855	0.4
55.05502	0.5
55.80339	0.1
57.03418	0.5
57.07057	0.2
59.18076	0.1
61.02907	0.3
65.03925	0.4
66.33983	0.1
67.05498	1.4
68.99786	0.7
69.03072	0.1
69.03422	1.5
69.07059	0.7
69.37710	0.6
69.38132	0.6
70.06588	0.1
71.04974	0.7
72.08142	0.2
73.02920	0.2
79.05485	1.0
81.03412	0.8
81.07050	3.1
83.04960	0.5
83.08616	0.3
85.02895	3.3
85.06526	0.6
91.05463	1.4
93.07008	1.2
95.04942	0.6
95.08601	1.6
97.02880	1.1
97.06481	0.3
97.10155	0.2
99.04424	0.1
105.03374	0.4
105.07017	0.7
107.04939	1.0
107.08607	1.1
109.02887	0.6
109.06515	1.1
109.10144	1.2
111.04446	0.6
111.08052	0.2
115.05420	0.2
117.06971	0.4
119.04913	1.1
119.08574	0.8
121.02847	1.5
121.06515	0.7
121.10126	1.0
123.04419	1.3
123.08041	0.8
123.11711	0.6
125.05965	0.4
125.09560	0.2
127.03905	1.0
128.06200	0.1
129.05479	0.2
129.06972	0.3
131.04922	0.2
131.08551	0.4
133.02852	0.2
133.06508	0.3
133.10112	0.4
134.03578	0.4
135.04413	1.1
135.08061	0.3
135.11687	0.6
137.02304	0.4
137.05972	0.4
137.13245	0.3
139.03902	0.2
139.07507	0.3
141.01830	0.5
143.08516	0.2
145.05032	0.3
145.06464	0.9
145.10110	0.3
146.05453	0.1
147.04407	1.1
147.08002	0.1
147.11703	0.2
148.05067	0.1
149.02299	0.9
149.05959	0.5
149.09639	0.1
149.13213	0.4
151.03903	0.1
151.07529	0.7
153.01822	0.4
153.05446	1.5
153.98567	0.1
157.06461	0.4
157.10109	0.2
159.04381	0.2
159.08040	0.3
159.11662	0.2
161.02327	1.4
161.05977	0.4
161.13245	0.2
163.03882	0.4
163.07549	0.4
163.11136	0.2
163.14815	0.3
165.01814	2.3
165.05458	0.6
167.03401	0.8
167.07037	1.1
171.04280	0.2
171.06581	0.7
171.07805	0.2
171.11414	0.1
173.05986	0.6
173.09509	0.1
175.03908	1.3
175.07539	0.3
176.04742	0.4
177.01799	1.9
177.05432	0.9
179.03368	0.3
179.07028	0.1
183.02864	2.1
183.04300	0.2
183.06476	0.1
185.05949	0.2
187.03896	0.2
187.07510	1.6
187.11186	0.1
189.01906	0.2
189.05472	0.4
189.12764	0.1
189.16443	0.2
190.02533	0.6
191.03371	0.9
191.06982	0.9
191.10680	0.2
194.02055	0.2
195.06491	0.2
195.08049	0.2
198.06668	0.1
199.07565	0.2
199.11249	0.1
201.05406	0.9
201.07050	0.1
201.09102	0.5
203.03372	0.3
203.07010	0.4
204.04111	1.1
207.06493	3.0
208.03618	0.9
209.07945	0.1
209.09698	0.2
213.05473	0.6
213.09065	0.2
215.06970	0.1
217.04947	0.5
217.08595	0.3
218.07251	0.1
219.06496	6.9
221.04396	0.2
222.05121	0.6
227.06999	0.3
227.10582	0.2
229.04903	0.6
231.06554	0.3
231.10083	0.2
235.05957	0.3
236.08206	0.1
237.07191	0.8
237.09489	0.3
241.04942	0.9
241.08568	0.2
243.06384	0.2
245.04320	0.2
250.06339	0.1
251.10631	0.3
255.06538	0.6
255.10181	0.8
261.09125	0.6
264.07788	0.2
265.04941	0.3
265.08588	1.0
267.06522	0.3
267.10352	0.1
268.07248	0.5
269.04443	0.2
269.08200	0.2
269.11798	0.3
279.06674	0.2
279.10117	0.5
281.04358	1.3
282.08939	0.2
283.06030	0.7
283.09619	2.2
287.05377	0.3
289.08554	0.4
291.06573	0.2
291.26697	0.1
292.07306	0.3
293.04755	0.3
293.08044	0.4
295.05972	1.2
297.03949	0.2
297.07819	0.1
297.11130	0.6
299.05469	4.1
305.04385	0.2
306.05179	0.3
307.06088	0.3
307.09595	0.8
309.07535	0.3
310.04788	0.2
310.08185	0.2
311.05441	2.5
311.09097	1.7
313.06992	0.3
317.07932	0.9
319.05890	0.4
320.06766	1.2
321.07571	0.5
322.08298	0.3
323.05392	0.7
324.06250	0.6
324.09802	0.2
325.07629	0.7
325.10712	0.7
326.07092	0.1
335.09103	4.9
337.07034	0.6
338.07803	1.3
353.10144	100.0
354.10480	1.7
377.10223	0.2
395.10980	0.3
399.28735	0.1
412.86514	0.1
425.30569	0.3
436.98080	0.1
443.31805	1.0
461.32703	0.7
462.67163	0.1
470.88669	0.1
479.33426	0.5
486.19662	0.2
497.14218	1.7
497.25241	0.1
497.34851	0.2
515.15155	0.5
515.18890	0.5
515.27216	0.2
515.35651	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	515.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93188	0.2
53.03936	0.9
55.01865	1.2
55.05517	1.4
57.03436	3.4
59.04992	0.4
61.02926	2.8
65.03949	0.4
67.01877	0.3
67.05503	2.3
69.03429	11.7
69.07045	1.2
70.06581	0.4
70.41851	0.3
70.89473	0.6
71.01352	0.6
71.04977	1.0
72.08134	0.7
73.02914	2.0
79.05482	1.2
81.03418	3.3
81.07050	4.6
81.53821	0.3
83.01308	0.4
83.04989	0.8
83.08598	0.5
84.08125	0.3
85.02903	28.9
85.06528	1.4
86.09650	0.3
87.04487	1.4
91.03976	0.6
91.05469	1.6
92.99752	0.9
93.07028	2.6
95.04964	0.9
95.08600	3.6
97.02274	0.4
97.02895	6.6
97.06520	0.7
97.10110	0.3
99.04430	1.8
101.02368	0.5
103.03931	1.1
103.05458	0.3
105.07026	1.4
107.04951	1.1
107.08595	2.2
109.02883	3.7
109.06484	0.7
109.10158	2.4
111.04433	0.7
111.08078	0.4
115.03921	0.6
119.04954	0.9
119.08553	1.3
121.02821	1.3
121.06516	0.7
121.10134	1.7
123.04433	1.2
123.08083	0.6
123.11699	1.2
125.05957	0.6
125.09555	0.3
127.03912	5.9
127.07563	0.3
129.06981	0.4
131.04895	0.5
131.08588	0.5
133.10106	0.5
135.04446	1.3
135.08037	0.7
135.11685	1.0
137.02353	0.5
137.05997	0.9
137.13229	0.6
139.03868	0.5
139.07588	0.4
141.01820	0.3
145.02986	0.3
145.04959	2.1
145.06435	0.4
145.10129	0.6
147.04408	1.1
147.11674	0.7
149.05983	0.4
149.13278	0.9
151.07542	1.1
153.05463	1.2
155.04982	0.6
157.06416	0.4
161.05959	0.3
161.13229	0.4
163.03888	0.8
163.07503	0.4
163.11230	0.4
165.01834	1.1
165.05515	1.2
167.07062	2.4
171.04404	0.4
171.06540	1.5
173.06035	0.4
173.13312	0.4
175.07625	0.4
175.11108	0.6
175.14717	0.3
183.02869	0.9
185.05954	0.9
189.05447	0.4
189.12775	0.4
191.10660	0.7
193.08543	0.3
203.10661	0.3
207.06342	0.4
213.05469	0.6
217.04922	0.7
217.08640	0.4
218.07199	0.3
225.10889	0.3
231.06516	0.8
233.09521	0.5
235.44533	0.3
243.06392	0.3
251.10591	0.7
255.06519	0.7
261.09003	0.5
263.07178	0.4
264.07776	0.5
267.06525	0.9
270.05338	0.7
271.06049	0.6
273.03912	2.0
279.06677	0.5
279.10168	0.6
283.06000	27.8
284.06277	0.4
289.08450	0.5
292.07379	1.0
293.08160	0.9
294.05185	0.9
295.05853	1.5
296.06833	0.4
297.07541	3.6
307.06033	1.2
307.09653	5.6
309.07449	0.6
311.09213	0.6
313.07120	0.6
317.08081	1.4
320.06729	2.5
321.07562	0.6
323.05502	0.4
325.07169	1.6
325.10596	0.5
335.09128	30.6
336.09534	0.3
337.07010	0.3
338.08255	0.3
353.10178	100.0
354.10309	1.3
377.10416	1.3
395.11221	2.8
419.11118	0.8
425.30109	0.5
443.31918	1.5
461.32782	1.5
467.45520	0.3
479.33438	0.8
483.17975	0.5
492.46173	0.3
497.13925	0.3
497.34753	0.6
515.14740	3.4
515.22443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05510	0.3
57.03421	0.1
57.07049	0.1
65.03943	0.2
67.05500	0.8
68.99779	0.6
69.03432	0.7
69.07046	0.3
70.06573	0.2
70.17773	0.5
71.04970	0.2
72.08148	0.5
79.05466	0.5
81.03403	0.5
81.07050	1.4
83.04971	0.4
84.08098	0.2
85.02885	0.6
85.06504	0.2
91.05451	0.5
93.07035	0.7
95.04938	0.5
95.08596	0.5
97.02879	0.4
97.06522	0.2
97.10135	0.2
99.04435	0.2
99.08081	0.1
105.03357	0.1
105.07012	0.7
107.04948	0.8
107.08585	0.7
109.02873	0.3
109.06499	1.2
109.10153	0.4
111.04464	0.2
111.08064	0.2
115.05487	0.2
116.22822	0.1
117.07001	0.4
119.04946	0.2
119.08578	0.3
121.02850	0.4
121.06504	0.3
121.10121	0.5
123.04433	0.4
123.08050	0.6
123.11689	0.1
125.05971	0.2
125.09618	0.2
127.03902	0.5
129.07001	0.2
131.04971	0.2
131.08565	0.2
133.02852	0.1
133.06499	0.2
133.10103	0.4
134.03621	0.4
135.04428	0.6
135.08038	0.4
135.11713	0.2
137.02339	0.3
137.05949	0.3
137.09633	0.5
139.00241	0.1
139.07431	0.1
139.11089	0.1
141.01805	0.4
143.08604	0.1
145.02924	0.1
145.06485	0.7
145.10126	0.3
147.04387	0.7
147.11633	0.2
148.05185	0.2
149.02313	0.8
149.05962	0.5
149.09651	0.2
151.07529	0.5
152.07011	0.1
153.01796	0.3
153.05496	0.4
159.04366	0.1
159.08064	0.1
161.02336	1.4
161.05927	0.1
161.09578	0.1
162.03117	0.2
163.03847	0.2
163.07550	0.4
165.01831	2.9
167.03383	0.9
167.07010	0.2
171.08073	0.1
171.11768	0.2
173.05969	0.3
173.13182	0.1
175.03903	0.2
175.07568	0.2
175.11180	0.2
175.28992	0.1
176.01065	0.1
176.04684	0.5
177.01826	1.8
177.05450	0.9
177.09119	0.1
179.03413	0.3
181.10129	0.2
183.02861	2.0
185.05984	0.2
187.07542	0.1
189.01788	0.2
189.05453	0.1
189.09093	0.2
190.02580	0.7
191.03406	1.0
191.07027	1.0
191.10550	0.1
191.14311	0.3
193.12253	0.3
194.01965	0.2
195.02827	0.2
195.06493	0.4
195.08099	0.2
197.11703	0.1
199.07504	0.2
201.05423	1.0
203.03409	0.3
203.06958	0.2
204.04170	1.2
205.04889	0.2
207.06552	0.2
208.03604	0.7
209.09723	0.3
209.11621	0.2
211.07512	0.1
211.13240	0.4
213.05408	0.5
213.09036	0.2
217.04976	0.2
219.06508	7.4
222.05147	0.6
223.13629	0.1
225.05411	0.1
227.07008	0.3
229.04919	0.7
231.06543	0.1
237.05402	0.2
237.07568	0.7
237.09488	0.2
241.04988	0.8
245.04408	0.2
250.06216	0.1
251.10580	0.2
251.16104	0.2
253.04828	0.2
254.05765	0.1
255.06447	0.6
255.10194	1.2
261.09210	0.2
264.07834	0.3
265.04962	0.4
265.08572	1.1
267.06775	0.1
268.07245	0.3
269.04709	0.1
269.07977	0.2
271.05798	0.1
279.10056	0.5
281.04379	1.4
282.08801	0.2
283.06024	0.5
283.09631	2.2
287.05536	0.3
292.07336	0.2
293.04428	0.3
293.08026	0.4
295.05923	0.2
297.07928	0.1
297.11179	0.5
299.05463	3.4
305.04440	0.2
306.05133	0.3
307.06000	0.1
307.09583	0.4
311.05466	2.4
311.09167	0.7
313.07053	0.3
315.04999	0.2
317.07962	0.7
319.06024	0.5
320.06824	1.1
323.05417	0.3
324.06427	0.3
324.10153	0.1
325.06982	0.8
325.10675	0.7
335.09140	3.7
337.07031	0.3
338.03906	0.2
338.07584	0.8
353.10153	100.0
354.10532	1.5
443.27899	0.3
459.09271	0.2
465.25964	0.1
479.29956	0.1
497.31400	0.1
515.15155	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05499	0.5
57.03435	0.3
64.09587	0.3
65.03940	0.4
67.05482	1.2
68.99775	0.5
69.03430	2.0
69.07039	0.6
69.70795	1.8
71.04955	0.3
73.02910	0.4
79.05463	0.8
81.01201	0.3
81.03394	1.0
81.07046	2.8
83.04945	0.4
85.02890	4.2
85.06547	0.3
87.04459	0.3
91.05456	0.8
92.19033	0.3
93.07017	0.9
95.04939	0.3
95.08566	1.1
97.02888	1.3
98.21548	0.5
99.04468	0.4
105.07023	0.9
107.04943	1.1
107.08572	0.8
109.02879	0.6
109.06527	1.0
109.10132	0.7
111.00790	0.3
117.06978	0.7
119.08579	0.5
121.02863	0.5
121.10152	0.6
123.04410	1.2
123.08076	0.6
123.11668	0.5
125.05976	0.6
125.09632	0.3
127.03873	1.4
129.06990	0.4
131.04863	0.3
133.10124	0.5
135.04375	0.7
135.08072	0.4
137.02296	0.5
139.03896	0.6
141.01785	0.8
145.04950	0.3
145.06471	0.5
145.10104	0.4
147.04398	0.9
149.02319	0.9
149.05959	0.7
153.01817	0.5
153.05453	0.8
157.10068	0.3
159.04358	0.3
159.11684	0.3
161.02330	1.6
161.05930	0.3
163.03879	0.5
163.07495	0.3
165.01820	2.1
167.03395	0.8
167.07062	0.5
173.06000	0.6
176.04570	0.4
177.01822	1.7
177.05447	1.4
179.03366	0.5
183.02850	2.5
189.05385	0.4
190.02539	0.4
191.03360	1.1
191.06996	0.9
195.02881	0.3
195.06505	0.7
197.29041	0.3
201.05434	1.1
203.03346	0.4
204.04156	1.2
207.02850	0.3
207.06531	0.4
208.03641	0.7
209.09624	0.3
213.05357	0.5
215.06982	0.3
219.06511	7.1
222.05122	0.9
229.04916	0.7
237.07332	0.6
241.04842	0.9
255.06505	0.6
255.10059	1.1
261.09351	0.3
263.41248	0.3
265.05005	0.4
265.08545	1.1
268.07397	0.3
269.07898	0.5
279.10184	0.5
281.04343	1.2
283.06067	0.8
283.09622	3.3
292.07285	0.4
293.07956	0.5
295.06027	0.3
297.07834	0.4
297.11166	0.7
299.05496	4.0
311.05463	2.5
311.09109	0.8
312.05240	0.3
317.08151	0.5
319.06052	0.5
320.06754	0.8
324.06177	0.4
325.06985	1.3
325.10779	0.8
326.07462	0.8
327.07651	1.1
335.09082	3.0
337.07034	0.4
338.07840	0.9
339.08606	0.5
351.24942	0.4
353.10147	100.0
354.10510	1.4
383.13864	0.5
395.10818	0.3
423.09869	0.3
472.73355	0.3
515.15503	1.2
515.29797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.3
55.05494	0.5
65.03933	0.2
67.05508	0.7
68.99780	0.7
69.03421	0.8
69.07049	0.2
70.06583	0.6
71.03043	0.3
71.04971	0.3
72.08150	1.8
79.05477	0.5
79.16648	0.1
81.03398	0.6
81.07050	1.1
81.30033	0.2
83.04964	0.4
83.08607	0.2
84.08124	0.5
85.02898	0.8
85.06561	0.2
86.06070	0.2
86.09702	0.5
91.05449	0.7
93.07025	0.6
95.04933	0.4
95.08579	0.5
97.02897	0.4
97.06525	0.3
98.09677	0.2
99.04449	0.2
103.05440	0.2
105.03355	0.3
105.07014	0.7
107.04958	0.8
107.08575	0.5
109.02871	0.3
109.06506	1.5
109.10123	0.3
110.02397	0.2
111.04394	0.2
113.06013	0.1
114.10295	0.1
115.05426	0.3
117.06989	0.4
119.04910	0.8
119.08581	0.4
121.02846	0.5
121.06499	0.5
121.10131	0.6
123.04443	0.3
123.08045	0.7
123.11730	0.2
127.03903	0.7
129.06999	0.2
131.04886	0.2
131.08542	0.3
133.06461	0.2
133.10109	0.4
135.04393	0.6
135.08014	0.4
135.11720	0.2
137.02348	0.5
137.05978	0.4
137.09578	0.2
141.01808	0.5
141.75943	0.1
142.71210	0.1
143.19392	0.2
145.02898	0.1
145.06458	0.7
145.10094	0.2
147.03329	0.3
147.04391	2.4
147.11748	0.2
148.04877	0.2
149.02309	0.7
149.05957	0.5
151.03865	0.2
151.07549	0.4
152.07059	0.1
153.05466	0.4
157.06517	0.2
159.04410	0.3
159.08061	0.2
161.02328	1.7
161.05969	0.3
163.03899	0.3
163.07532	0.3
165.01833	2.7
167.03419	0.9
167.07057	0.4
173.05981	0.4
175.03918	0.2
176.04675	0.5
177.01822	1.9
177.05449	1.2
179.03398	0.3
179.10651	0.2
183.02911	1.9
185.05887	0.2
189.01836	0.2
189.05341	0.2
190.02626	0.8
191.03410	0.8
191.05400	0.2
191.06946	0.9
191.10686	0.2
191.14255	0.2
192.07799	0.2
194.12509	0.2
195.02953	0.2
195.06468	0.4
201.05414	1.0
203.03404	0.3
203.07014	0.2
204.04192	1.3
207.06577	0.3
208.03601	0.7
209.09683	0.4
209.15294	0.2
213.05443	0.5
218.11723	0.4
219.06512	7.8
222.05249	0.6
227.07018	0.3
227.10646	0.2
229.04913	0.7
237.07478	0.5
237.09438	0.2
241.05054	0.7
244.50894	0.2
253.04854	0.2
255.06519	0.6
255.10191	1.1
256.15610	0.3
261.09036	0.3
264.07938	0.2
265.05014	0.4
265.08585	0.9
267.06357	0.2
267.10184	0.2
268.07285	0.2
269.07944	0.2
271.05795	0.2
279.10159	0.4
281.04413	1.6
283.06000	1.7
283.09634	2.5
287.05356	0.2
292.07324	0.4
293.07999	0.4
295.06042	0.5
297.07809	0.3
297.11169	0.5
299.05484	3.4
305.04401	0.2
306.05237	0.4
307.06067	0.3
307.09604	0.5
311.05469	2.0
311.09125	0.8
317.08014	0.6
319.06046	0.3
320.06750	0.7
321.07507	0.3
323.05380	0.3
324.06247	0.2
325.07071	0.6
325.10757	0.6
335.05145	0.3
335.09122	3.9
337.06915	0.4
338.07825	0.7
353.10165	100.0
354.10550	1.7
361.11044	0.2
361.16476	1.0
361.66461	0.3
414.61511	0.2
443.27957	0.2
461.28922	0.2
498.18030	0.8
498.24127	0.2
515.14734	1.2
515.19714	0.3
515.31543	0.2
516.18695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.7
69.03430	0.3
69.91067	0.5
72.08106	0.1
72.67871	0.1
79.05470	0.2
81.03416	0.2
81.07053	0.2
85.02891	0.2
91.05471	0.2
93.07040	0.2
95.04974	0.1
100.07544	0.1
105.03371	0.1
105.07021	0.2
107.04946	0.3
109.06503	0.2
109.10119	0.3
119.08603	0.2
121.02829	0.2
123.04414	0.4
127.03918	0.2
129.07027	0.2
135.04399	0.3
137.02303	0.5
147.04482	0.3
149.02338	0.3
149.06012	0.2
153.01787	0.2
153.05440	0.2
161.02315	0.7
163.03893	0.2
165.01816	0.5
165.07031	0.2
167.03387	0.2
169.06596	0.1
173.02414	0.1
177.01813	0.6
179.03401	0.2
183.02902	0.3
185.06023	0.1
187.07559	0.2
189.05515	0.2
190.02608	0.2
191.03368	0.2
191.06970	0.2
197.05936	0.3
200.04842	0.2
201.05469	0.5
202.54172	0.2
208.03711	0.3
209.05878	0.2
218.07248	0.2
219.06389	0.6
227.07030	0.3
233.09616	0.4
237.05450	0.3
243.06340	0.2
247.07545	0.2
251.10599	0.2
255.06520	1.1
261.09183	0.7
264.07727	0.2
265.04941	0.7
269.08078	0.2
271.05954	0.5
279.06879	0.1
279.10117	0.4
281.04227	0.2
281.07944	0.2
283.06024	2.7
287.05508	0.5
289.08563	0.4
292.07291	0.2
293.08298	0.2
295.06030	0.6
297.04257	0.1
297.07590	0.4
297.11044	0.2
299.05475	12.9
300.05750	0.3
306.05219	0.2
307.09573	0.7
309.07507	0.3
310.04553	0.3
311.01825	0.2
311.05457	4.0
311.09116	1.0
313.06961	0.5
317.07819	0.2
320.06885	0.2
321.07419	0.3
323.05441	2.1
324.06293	1.9
325.06998	1.5
325.10742	0.7
335.09125	3.7
337.07104	1.3
338.07800	3.7
345.88428	0.1
353.10153	100.0
354.10477	2.2
461.29968	0.2
515.15430	0.7
523.22253	0.1
534.18597	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	515.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.01896	0.6
55.05524	0.8
57.03429	1.3
61.02922	1.5
65.03936	0.4
67.05505	2.0
68.99801	0.2
69.03421	4.6
69.07056	1.2
69.36563	1.9
69.36984	0.7
71.05013	1.1
73.02934	0.9
79.05515	1.1
81.03414	2.7
81.07044	3.1
83.01348	0.4
83.04998	0.6
83.08640	0.4
85.02901	9.6
85.06564	0.9
87.04493	0.8
91.03973	0.4
91.05500	1.1
93.07044	1.9
95.04988	0.9
95.08601	3.2
97.02878	3.3
97.03416	0.3
97.06519	0.3
97.10184	0.3
99.04496	1.0
105.07010	1.4
107.05005	0.6
107.08588	1.3
109.02879	1.3
109.06538	0.7
109.10146	1.6
111.04484	0.7
115.05484	0.4
117.07016	0.3
119.04933	0.3
119.08630	1.1
121.02918	0.8
121.06535	0.5
121.10175	0.9
123.04456	1.1
123.08097	0.8
123.11749	1.0
125.05955	0.6
125.09672	0.4
127.03912	3.5
128.04202	0.3
129.07030	0.3
133.06465	0.3
133.10141	0.8
134.03702	0.7
135.04424	0.8
135.08083	0.5
135.11728	0.7
137.02414	0.3
137.06033	0.9
137.09657	0.4
137.13272	0.4
137.14973	0.2
139.03867	0.4
139.07536	0.6
139.11134	0.2
143.08615	0.5
145.04967	1.1
145.06503	0.5
145.10135	0.5
147.04428	0.8
147.11743	0.5
149.02309	1.4
149.06065	0.4
149.09669	0.4
149.13281	0.8
151.04028	0.3
151.07475	0.5
153.01811	0.4
153.05513	1.1
157.10158	0.4
159.11795	0.4
161.02379	0.8
161.05992	0.3
161.09634	0.3
161.13290	0.4
163.03845	0.4
163.11226	0.3
165.01817	0.4
165.05516	1.1
167.03474	0.8
167.07068	1.1
171.06569	1.1
175.07588	0.3
175.11169	0.4
175.14951	0.3
176.04707	0.3
177.01822	0.5
177.05540	0.4
179.03365	5.7
181.06517	0.3
181.08704	0.3
183.02855	0.5
187.07579	0.3
189.09181	0.3
191.03503	0.3
191.07094	0.5
191.10661	0.4
191.14104	0.2
195.08049	0.2
197.04442	5.1
197.06082	0.5
199.07579	0.6
201.05476	0.5
203.10658	0.3
207.06503	0.5
209.06212	0.3
213.05521	0.7
219.06543	1.8
227.07033	0.4
229.04996	0.3
237.05461	0.7
239.07162	0.3
243.06500	0.5
255.06610	0.5
255.10197	0.3
261.09119	0.5
265.05045	1.0
265.49356	0.3
267.06592	0.4
271.06049	0.5
279.10153	0.5
281.04364	0.4
282.05255	0.9
283.06024	3.2
283.09665	0.7
289.03772	0.3
289.08386	0.3
292.07391	0.3
295.06006	2.4
297.04288	0.3
297.07581	5.5
297.10944	0.4
299.05472	7.6
307.06372	0.3
307.09668	0.6
311.05478	2.1
311.09174	1.1
313.07019	7.5
313.10666	0.4
320.06888	0.6
321.07584	0.7
323.05588	1.4
324.06238	1.8
325.07074	1.2
325.10623	0.8
335.09152	4.2
337.06967	1.1
338.07791	2.4
339.08307	0.4
351.08813	0.4
353.10144	100.0
353.13770	6.0
354.10596	2.4
365.10159	0.7
377.10373	0.3
379.11942	0.4
395.11230	0.8
425.30429	0.5
443.31775	1.3
460.31876	0.4
461.32602	1.5
479.33289	0.6
497.34799	0.4
515.15308	17.8
516.15833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34394	0.2
52.50980	0.2
53.03931	0.7
55.01851	0.6
55.05507	0.4
57.03432	1.5
61.02924	1.7
63.76098	0.2
67.05489	1.0
69.03081	0.5
69.03429	6.3
69.07056	0.4
71.01323	0.3
71.04971	0.7
72.08163	0.3
73.02914	1.2
79.05505	0.4
81.03411	2.1
81.07043	0.8
83.01347	0.3
83.04944	0.2
85.02898	11.7
87.04446	1.5
91.03934	0.4
91.05472	0.5
93.07024	0.5
95.04969	0.5
95.08591	0.9
97.02888	4.5
98.20718	0.7
99.04433	0.8
101.02380	0.3
103.03925	0.3
103.47963	0.2
105.03378	0.3
105.07001	0.6
107.08588	0.4
109.02880	1.5
109.06523	0.4
109.10127	0.4
117.06991	0.2
119.08572	0.4
121.02959	0.2
121.06527	0.3
121.10168	0.2
127.03909	3.5
129.07059	0.3
133.02798	0.2
133.10123	0.2
135.04433	0.3
137.02400	0.5
145.04933	1.2
147.04419	0.4
147.11615	0.3
149.13203	0.2
151.03838	0.4
161.02351	0.4
163.03842	0.3
165.01837	0.3
167.03372	0.3
167.07050	0.2
173.05992	0.3
177.01820	0.9
179.03436	0.3
181.06561	0.4
183.02876	0.6
191.03432	0.3
191.06969	0.3
201.05545	0.4
205.10138	0.3
218.07416	0.3
219.06487	0.8
233.09659	0.5
245.04472	0.3
251.10655	0.2
255.06523	0.6
261.09116	0.7
262.19467	0.3
265.04956	0.5
267.06613	0.3
269.08191	0.2
269.11627	0.3
271.05872	0.5
279.10181	0.7
283.06000	2.5
287.05661	0.4
289.08679	0.5
292.07227	0.5
293.07968	0.3
295.06110	0.9
297.07639	0.6
297.11063	0.3
299.05487	11.2
307.09549	0.4
309.07617	0.6
311.05469	3.9
311.09158	1.0
313.06915	0.4
317.08081	0.5
320.06848	0.3
321.07578	0.7
323.05466	1.8
323.09091	0.4
324.06235	2.2
325.06967	1.2
325.10785	0.7
335.09109	3.6
337.07068	1.7
338.07831	3.5
351.08694	0.4
352.09427	0.6
353.10162	100.0
354.10568	1.1
377.09982	0.4
395.11200	1.7
497.14389	0.3
515.15240	4.0
515.28363	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	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01852	0.8
55.05495	0.8
57.03426	0.8
61.02911	1.0
65.03928	0.4
65.16550	0.3
67.05474	1.1
69.03430	3.7
69.07050	1.0
71.01338	0.3
71.04980	0.3
72.08139	0.6
73.02906	0.4
79.05457	0.7
81.03413	1.5
81.07053	3.5
83.01354	0.3
83.04983	0.5
83.08587	0.4
85.02419	0.4
85.02902	5.4
85.06538	0.7
87.04438	0.4
91.03984	0.6
91.05454	1.0
93.03410	0.3
93.07044	1.8
95.04960	1.1
95.08601	2.3
96.08947	0.3
97.02885	1.9
97.06532	0.4
97.10166	0.4
99.04414	0.5
105.07022	1.0
107.04960	0.7
107.08603	1.5
109.02856	1.2
109.06513	0.7
109.10139	1.2
111.04433	0.6
119.08560	0.6
121.02853	1.0
121.06486	0.3
121.10126	0.9
123.04415	0.6
123.08073	0.5
123.11686	0.9
125.05965	0.4
127.03908	1.9
131.08607	0.4
133.06409	0.3
134.03622	1.5
134.10507	0.3
135.04416	0.5
135.11670	0.8
137.05995	0.9
137.13307	0.4
139.03937	0.3
139.07562	0.5
145.04932	0.4
145.10104	0.6
147.04416	1.0
147.11700	0.4
149.02357	2.1
149.13290	0.4
151.03883	0.3
151.07512	0.7
153.05510	0.8
161.02319	1.1
161.05949	0.3
163.03899	0.3
163.07628	0.3
163.11214	0.4
165.05444	0.6
165.09081	0.5
167.03395	0.9
167.07103	1.7
169.04958	0.7
171.06555	0.9
175.07533	0.3
179.03383	13.8
181.06493	0.8
191.06992	0.7
191.10747	0.6
197.04451	10.8
201.05624	0.4
209.06032	0.6
213.05437	0.7
219.06541	4.6
226.06206	0.3
237.05508	1.2
243.06577	0.9
244.12148	0.3
247.07297	0.4
255.10139	0.8
265.04941	3.0
267.06467	0.3
269.08163	0.3
282.05258	2.8
282.08249	0.5
283.06018	1.4
283.09644	2.7
293.08228	0.3
295.06000	5.4
297.07578	17.1
299.05515	2.5
311.05569	0.6
311.09048	0.6
313.07050	19.5
317.08145	0.3
320.06738	0.6
323.05603	0.4
324.06360	0.5
325.07056	0.6
335.09137	2.0
337.07007	0.5
338.07806	0.8
338.38779	0.3
353.10144	100.0
353.13947	17.8
354.10641	1.7
354.14157	0.3
377.27176	0.3
379.11679	0.5
395.10986	0.6
413.30307	0.3
425.30585	0.4
443.31671	1.4
445.77570	0.3
461.32486	1.0
479.33456	0.8
497.34467	0.6
515.15417	37.3
516.15845	0.6
539.03278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97183	0.1
53.03934	0.1
55.01865	0.2
55.05502	0.3
57.03424	0.1
64.68375	0.1
65.03933	0.2
66.72935	0.1
67.05493	0.6
68.99786	0.7
69.03429	0.5
69.07065	0.2
69.32376	1.0
69.56128	0.1
70.06580	0.3
71.04979	0.1
72.08128	0.2
79.05484	0.4
81.03418	0.4
81.07046	1.3
83.04969	0.2
83.08630	0.1
84.08126	0.2
85.02898	0.7
85.06544	0.2
86.09693	0.1
91.05465	0.5
93.07030	0.4
95.04962	0.4
95.08583	0.4
97.02872	0.4
97.06512	0.2
97.27295	0.1
98.21442	0.2
99.04420	0.1
103.05474	0.2
105.03383	0.4
105.07021	0.7
107.04955	0.7
107.08601	0.4
109.02859	0.3
109.06510	1.3
109.10145	0.2
111.04398	0.1
115.05422	0.2
117.07008	0.2
119.04921	0.2
119.08572	0.3
121.02840	0.4
121.06461	0.3
121.10121	0.2
123.04382	0.5
123.08067	0.5
123.11677	0.1
125.06039	0.1
125.09639	0.1
127.03899	0.5
129.06976	0.2
131.04990	0.1
131.08498	0.1
133.06487	0.3
133.10104	0.2
134.03619	0.2
135.04417	0.7
135.08051	0.2
137.02367	0.2
137.05951	0.3
137.09549	0.2
139.00215	0.1
141.01833	0.4
142.07822	0.1
145.06438	0.7
145.10199	0.2
147.04395	0.6
147.08080	0.1
147.11661	0.1
149.02356	0.9
149.05980	0.5
149.09653	0.1
149.13243	0.1
151.03951	0.1
151.07553	0.5
153.01773	0.1
153.05420	0.5
157.06529	0.1
159.04462	0.3
159.11739	0.1
161.02336	1.8
161.06010	0.2
161.09602	0.1
163.03920	0.3
163.07512	0.2
165.01819	2.5
165.12698	0.1
167.03389	0.7
167.07022	0.3
167.08414	0.1
173.05928	0.5
175.03856	0.2
175.11209	0.2
176.04684	0.4
177.01823	1.9
177.05429	1.3
179.03391	0.3
181.12218	0.1
183.02870	2.1
183.04463	0.2
185.05980	0.2
187.03923	0.1
187.07430	0.1
189.01791	0.4
189.05402	0.1
190.02588	0.8
191.03363	0.8
191.06992	1.1
191.10757	0.1
191.14224	0.2
192.08015	0.1
193.12180	0.2
194.02089	0.2
195.02892	0.2
195.06476	0.4
195.08105	0.1
199.11136	0.1
200.04619	0.1
201.05415	1.0
203.03392	0.4
204.04167	1.4
205.04900	0.2
207.02931	0.1
207.06465	0.2
208.03636	0.9
209.09583	0.2
209.11574	0.1
209.15468	0.1
209.87843	0.1
211.13159	0.2
213.05441	0.6
213.09067	0.1
217.04999	0.2
219.06499	7.6
221.04349	0.2
222.05127	0.5
227.06992	0.3
227.57784	0.1
229.04909	0.5
237.07193	0.7
237.09531	0.2
239.06911	0.1
241.04947	1.1
241.08698	0.2
241.11800	0.1
243.06419	0.1
245.04402	0.2
253.05042	0.3
254.05653	0.1
255.06477	0.6
255.10129	1.1
261.09048	0.3
265.04880	0.2
265.08591	0.7
267.06650	0.1
268.07300	0.3
269.04605	0.1
269.11719	0.2
271.05890	0.2
277.05072	0.1
279.10156	0.4
281.04398	1.3
282.08948	0.2
283.06018	0.7
283.09631	2.6
287.05417	0.3
292.07245	0.3
293.04453	0.3
293.08054	0.4
295.05893	0.2
297.07657	0.2
297.11179	0.7
299.05475	3.6
305.04477	0.1
306.05118	0.3
307.06158	0.2
307.09683	0.6
311.05460	2.4
311.09134	0.8
313.06934	0.2
315.05054	0.1
317.08002	0.7
319.05936	0.3
320.06760	1.1
321.07614	0.2
323.05386	0.4
324.06201	0.2
325.06952	0.7
325.10672	0.5
335.09109	3.7
335.13031	0.2
337.06970	0.3
338.07767	0.8
339.08597	0.1
353.10144	100.0
354.10541	1.4
459.09232	0.2
461.29068	0.1
515.15076	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	515.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73601	2.6
54.13796	2.6
56.96329	2.8
56.96565	33.0
57.61406	2.3
59.22149	3.5
69.03408	7.9
70.06595	3.0
71.42133	7.9
72.08149	50.6
80.74245	2.6
84.96039	7.0
85.02875	12.0
89.02383	3.2
97.02870	9.2
98.97579	45.9
100.99118	9.8
110.02399	27.4
110.97549	11.1
116.98612	37.9
119.00150	8.4
119.01904	5.1
121.01591	2.8
127.03857	6.1
128.98599	26.5
134.75754	2.9
134.99660	26.3
136.00069	3.1
140.98552	5.6
143.00098	6.9
143.01839	4.5
144.98088	4.6
145.03409	9.1
145.04921	2.9
146.99655	33.4
147.03342	2.4
147.04358	13.2
152.00072	3.2
152.07045	17.1
155.01915	3.5
157.03470	3.3
158.01201	3.1
158.99654	21.0
161.01241	13.4
161.02875	8.0
162.99106	10.6
165.00665	14.1
169.03316	3.3
169.09718	17.4
170.99654	18.3
172.97563	8.1
173.01137	3.2
173.02913	7.4
175.04471	4.0
177.00713	29.6
182.99657	7.3
183.01691	5.3
185.02899	8.8
187.04500	4.5
189.00714	36.6
190.98631	27.3
191.02283	4.0
191.03958	3.7
195.01648	3.9
197.03168	3.5
200.02396	3.4
201.00679	46.4
203.04179	3.1
207.01755	4.8
208.99683	56.9
214.98613	10.9
218.11920	3.4
219.01770	56.7
219.06966	3.0
227.00674	8.8
231.01637	5.5
232.99667	40.4
237.02823	35.6
242.03250	4.5
243.01787	17.0
244.99586	4.0
245.05118	14.3
249.02673	4.1
251.00743	27.0
261.02802	43.7
262.57367	3.0
263.00674	7.8
265.10278	2.9
273.02921	4.0
275.05975	3.9
279.03891	30.5
291.03772	9.2
293.01794	8.9
302.05521	4.6
305.07159	4.0
317.01718	16.2
321.05026	22.9
321.08255	3.2
321.10321	7.6
323.09998	7.8
335.02747	24.3
335.06924	5.1
351.05930	7.4
353.03802	37.0
381.06827	11.7
381.17950	10.1
399.07898	19.5
455.06955	5.9
497.07602	14.6
498.16922	3.6
515.08923	100.0
515.20245	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08427	0.3
53.03938	0.6
55.05252	0.5
55.05506	5.6
55.17701	0.3
57.03435	0.4
57.07085	0.7
58.06606	1.0
59.04992	1.6
65.03942	1.0
67.05499	8.6
69.03423	3.5
69.07043	0.9
70.06581	1.1
70.07677	0.6
70.08088	1.4
71.04993	0.7
72.08152	2.7
73.02907	0.6
73.47735	0.3
77.02470	0.3
79.05484	1.3
81.03408	1.4
81.07059	1.5
83.04971	3.3
83.08618	0.5
84.08136	24.0
85.02892	4.0
85.06536	4.9
86.06058	3.2
86.09723	0.6
87.04456	3.0
91.05473	1.7
93.07031	2.8
95.04967	2.1
95.08598	24.5
97.02879	1.8
97.06499	0.4
98.06124	0.3
98.09680	2.2
98.20827	0.3
98.71018	0.3
99.04461	0.7
100.11279	1.0
100.98910	0.3
101.06006	12.7
103.03986	0.5
104.07088	0.3
105.07026	3.3
107.04981	0.5
107.08581	2.9
109.02883	1.3
109.06481	1.6
109.10175	1.3
110.02424	0.7
111.04441	0.5
111.05565	1.0
111.08077	0.6
112.94666	0.3
113.06014	0.6
114.10329	0.3
115.08713	0.4
119.04948	0.8
119.08567	4.8
121.06538	1.3
121.10126	3.2
123.04424	1.4
123.08052	10.4
123.11715	0.6
125.09678	0.5
126.09184	0.9
127.03904	2.1
128.07285	0.4
128.08263	1.2
128.10701	15.5
129.05492	0.4
129.10060	0.3
131.08585	0.6
133.06511	1.3
133.10109	2.3
135.08073	1.1
135.11667	1.6
137.05983	0.4
137.09650	1.4
140.07022	0.4
144.10208	1.0
145.10143	0.7
146.09262	1.4
146.11746	10.0
147.04404	3.5
147.08121	0.6
147.11649	1.8
148.04686	0.4
149.09599	4.8
151.07532	4.4
151.14803	0.5
153.30373	0.3
155.06990	0.3
156.09335	0.5
159.08046	0.5
161.13264	2.5
163.11230	0.5
165.12807	1.2
167.07135	0.8
169.09761	0.4
171.11731	0.9
173.13376	0.7
174.10428	1.2
177.05492	0.5
179.14352	0.5
188.12892	1.4
189.12730	3.5
191.14476	0.4
207.13780	1.8
218.11821	0.5
218.13918	0.7
225.47133	0.3
230.13872	0.4
248.12495	0.4
248.14894	4.1
254.13969	0.5
255.03500	0.3
272.14874	1.6
290.13293	0.6
290.15979	8.7
290.18988	0.5
306.15662	0.8
308.17102	10.3
352.87711	0.3
423.67410	0.4
491.21878	0.4
496.29053	2.4
514.30103	100.0
515.22223	1.5
515.30194	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
53.41183	0.7
54.75490	0.7
55.05511	5.1
57.03421	1.2
57.07050	0.9
58.06578	1.0
59.04985	1.0
60.05624	1.1
60.56546	0.6
66.84274	0.6
67.05503	7.2
69.03432	7.3
69.07037	1.4
70.06596	4.8
71.04964	2.4
71.62370	0.7
71.62766	0.9
72.07802	1.0
72.08154	11.7
73.02885	1.8
73.06421	0.7
74.06052	0.6
74.99905	0.6
79.05469	1.3
81.03381	3.0
81.07026	2.7
83.04939	2.6
83.06055	0.9
84.04487	0.8
84.08138	19.9
85.02907	8.0
85.06527	5.5
86.06061	16.9
86.06850	0.9
86.09690	1.9
87.04461	12.1
89.06016	1.5
91.05472	5.8
93.07064	3.6
95.04928	3.0
95.08604	22.1
97.02888	5.8
98.06045	2.1
98.09692	6.2
99.04432	2.0
100.07552	0.7
101.05999	8.3
103.03944	1.3
104.07047	1.5
105.06989	5.1
107.04988	1.0
107.08590	4.9
108.04451	1.4
109.02872	4.2
109.06509	1.5
109.10121	2.4
110.02409	6.3
111.04420	1.0
111.05549	3.8
112.07590	1.1
113.05968	1.4
114.10248	1.8
115.03928	0.9
116.07024	0.7
117.05499	0.8
119.04948	7.4
119.07938	0.6
119.08581	6.9
121.02815	0.9
121.06451	1.3
121.10122	3.6
123.04390	1.8
123.08071	9.8
123.11669	1.3
125.09574	0.9
126.05428	0.8
127.03914	7.9
128.07213	0.9
128.08186	6.1
128.10719	8.0
129.05476	1.1
129.06581	1.6
130.04985	0.7
131.08499	1.5
131.12854	0.9
133.06451	1.2
133.10059	2.4
135.04315	0.8
135.07993	2.3
135.11626	2.0
137.09573	1.4
140.07034	0.7
143.08554	0.7
144.10147	2.7
145.04933	2.4
145.10078	2.8
146.08170	0.6
146.09248	8.7
146.11740	7.0
147.04404	40.6
147.08005	1.1
147.11687	4.7
148.04768	1.5
149.09602	6.2
149.13162	0.6
151.07527	3.4
151.14813	0.7
152.06990	2.7
153.06570	0.9
156.09337	1.8
159.15303	0.7
161.13202	2.5
163.03882	1.5
163.11147	0.7
165.12706	1.1
167.06897	1.9
167.08235	0.7
169.09691	1.8
171.11639	0.9
173.13202	1.9
174.10373	1.1
177.05489	1.4
187.03918	0.9
188.10242	2.4
189.12729	6.5
191.14253	1.4
207.13762	2.0
218.11482	2.0
236.12740	2.9
237.08862	0.8
248.12268	2.7
248.14943	1.8
270.13159	1.2
272.14905	0.8
274.39801	0.7
288.14478	1.4
290.13318	4.7
290.16125	6.0
295.05902	0.8
298.24295	1.1
306.15274	1.5
307.05713	0.8
308.13922	6.9
308.17023	5.8
339.08524	1.0
353.10617	0.9
367.07846	0.8
496.29068	9.3
514.27863	100.0
515.21173	6.8
515.28259	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	514.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
55.05506	2.6
57.03408	0.6
58.06557	0.8
59.04959	0.6
61.02910	0.4
65.03893	0.9
67.05453	1.3
68.04965	0.3
69.03428	3.9
69.07019	0.7
69.84989	2.0
70.06587	2.7
71.01334	0.3
71.04952	1.3
71.12776	0.3
72.08148	13.8
73.02873	0.7
73.06522	0.5
79.05443	0.9
81.03400	2.4
81.07016	1.5
83.04933	1.2
84.04445	0.3
84.08135	9.8
85.02428	0.3
85.02893	5.1
85.06483	1.1
86.06060	2.9
86.09663	1.0
86.40877	0.3
87.00783	0.4
87.04462	1.6
89.03897	0.7
89.05553	0.4
89.06020	4.3
90.09195	3.6
91.05467	7.8
93.06982	1.1
95.04927	1.0
95.08598	3.7
96.08086	0.5
97.02880	4.1
97.07617	0.3
98.09692	3.1
99.04457	1.6
100.11249	0.5
101.06002	4.6
103.03908	0.4
103.05399	0.4
105.07018	3.5
106.04058	0.4
107.04901	0.5
107.08578	2.8
109.02834	2.4
109.06496	0.7
109.10108	0.6
109.97846	0.4
110.02357	1.4
110.07110	0.3
111.04403	0.6
111.05527	0.6
112.07545	0.7
114.09165	0.3
114.10248	1.1
117.03345	1.5
117.05472	0.8
117.06961	0.4
119.04930	18.2
119.08575	4.3
121.06432	0.4
121.10103	1.4
123.08073	2.1
123.11675	1.0
124.07565	0.4
125.05980	0.4
125.09621	0.3
126.09246	0.5
127.03075	0.4
127.03911	4.0
128.08159	1.1
128.10701	5.5
131.08574	1.8
133.06453	1.4
133.10107	1.2
135.07986	0.5
135.11749	0.6
137.05920	0.5
137.09521	0.5
138.05475	0.5
138.48956	0.3
140.07013	0.7
143.08575	0.8
144.10158	0.9
145.02823	4.1
145.04868	1.9
145.10114	2.2
146.09248	1.7
146.11752	4.4
147.04395	100.0
147.11655	3.8
148.04720	1.7
149.05981	0.7
149.09607	1.1
151.07544	0.7
152.07040	0.7
156.09291	1.2
159.04507	0.3
161.09515	0.5
161.13203	0.5
163.03831	0.8
167.07079	0.6
169.09776	0.4
171.11667	0.6
173.13141	0.4
174.10454	0.8
175.03966	0.6
177.05461	10.8
178.05899	0.5
178.08705	0.3
188.10413	0.6
188.12729	0.4
189.05463	0.4
189.12712	4.1
191.14319	0.4
195.08078	0.3
203.07100	0.4
207.06458	0.6
207.13838	0.4
218.11844	1.2
236.12790	29.3
237.13171	0.6
243.08705	0.4
248.12593	0.5
248.14935	0.6
254.14008	0.4
266.13977	0.8
272.14917	0.4
288.14560	0.6
290.13373	0.6
290.16010	5.4
306.15875	0.7
308.14398	1.3
308.17291	4.7
337.07178	0.5
341.06613	0.7
365.06982	0.3
411.39725	0.3
451.11337	0.3
496.29068	6.9
497.11118	0.6
514.30127	28.6
515.11920	0.4
515.21545	0.5
515.29944	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36298	1.7
53.03582	2.0
53.03930	4.8
55.01855	7.5
55.05296	1.9
55.05505	19.8
57.03433	10.4
57.07063	5.8
59.04997	19.2
59.95078	1.8
65.03931	1.8
67.05169	3.2
67.05502	44.2
69.03429	11.9
69.07070	28.3
69.60004	14.9
71.04979	4.6
71.08618	1.7
72.08151	3.3
79.05485	24.1
81.03401	5.4
81.07051	100.0
83.01336	4.4
83.04988	11.3
83.08603	9.5
84.08140	2.8
85.02887	10.2
85.06529	10.1
87.04459	6.1
91.05460	15.5
91.25985	1.7
93.07039	41.0
95.04940	9.3
95.08599	88.1
97.02882	4.8
97.06513	16.8
97.10159	8.0
99.04433	5.0
99.08063	2.2
105.07034	24.5
107.04974	3.1
107.08589	32.8
109.02845	6.2
109.06503	8.3
109.10146	52.5
111.04435	16.2
111.08060	5.2
111.11691	2.6
113.05991	2.5
113.09653	2.3
115.05405	4.1
115.07564	4.6
117.06960	3.1
119.08577	18.6
121.06494	9.6
121.10128	23.5
123.04396	6.8
123.08038	9.4
123.11709	27.1
125.05978	10.4
125.09641	8.7
127.03913	27.2
131.08528	11.1
133.06474	4.7
133.10133	19.2
135.04417	14.6
135.08023	5.3
135.11688	19.8
137.05960	13.0
137.09579	4.9
137.13240	12.6
139.03914	12.9
139.07523	21.9
139.11171	4.3
141.05457	3.5
141.07060	1.8
143.08557	3.2
145.06442	2.4
145.10104	11.2
147.04387	9.3
147.08008	2.9
147.11687	15.6
149.05983	2.4
149.09599	7.8
149.12357	1.9
149.13268	22.4
151.03854	4.1
151.07539	6.7
151.11165	3.7
151.14786	4.1
153.01819	3.2
153.05450	58.1
153.09151	4.7
153.12657	2.1
155.07021	3.8
155.08565	2.5
157.10144	4.1
159.08015	2.9
159.11755	11.0
161.05968	7.2
161.09573	6.4
161.13255	8.2
163.07521	3.2
163.11137	4.6
163.14810	7.7
165.05479	37.3
165.09109	4.4
165.12729	3.2
167.07040	34.7
167.10619	3.6
169.10023	3.3
171.06522	52.3
171.07961	2.4
171.11655	4.1
173.06073	1.8
173.09634	3.1
173.13235	2.9
175.07544	3.2
175.11128	3.1
175.14781	6.0
177.05453	2.5
177.09084	7.8
177.12755	2.3
177.16353	4.1
179.10713	5.3
181.04974	3.1
181.08524	3.9
183.06500	4.5
187.05977	2.7
187.07460	2.2
187.11157	3.1
189.09074	5.8
189.12679	2.6
189.16325	3.1
191.07005	2.4
191.10640	4.8
191.14377	2.1
191.17879	3.6
193.08578	5.7
193.12210	3.3
195.10022	2.4
195.13803	2.1
197.09682	2.5
199.05983	5.5
201.12691	2.4
201.16418	3.2
203.06967	2.1
203.10635	5.3
203.17941	5.5
204.07695	1.7
205.08507	2.4
205.12212	5.5
205.19566	2.7
207.10081	4.8
207.13733	2.9
209.08026	2.0
209.11612	5.5
212.12540	1.7
213.12567	2.0
215.10614	2.5
217.08604	11.5
217.19569	2.1
219.13773	2.1
221.11655	4.2
227.06902	2.4
229.19568	1.9
233.11717	4.2
239.12729	5.0
251.12708	3.3
259.09662	5.4
261.14862	2.2
271.24158	2.8
277.25143	4.4
289.25323	2.8
293.17303	1.9
295.26227	3.3
297.07599	3.5
301.10672	3.9
303.15747	2.7
305.17493	1.9
306.05023	2.3
307.26288	7.5
310.04694	5.7
319.11865	2.9
325.07065	26.6
326.07379	3.3
333.20831	2.1
336.06201	4.2
339.08829	2.1
351.09134	8.7
351.12195	10.7
351.21387	3.3
365.10077	3.8
381.13211	4.7
385.27432	3.6
393.26385	3.2
397.27173	3.6
409.08649	2.4
411.28763	2.4
413.30441	4.7
415.27814	4.8
415.32150	7.1
421.09171	2.9
423.28821	5.5
429.30005	11.4
431.31683	2.6
433.33417	4.7
441.30057	19.5
447.31064	9.9
459.31046	46.4
460.31100	2.1
465.15475	2.3
465.32178	3.5
477.32111	30.1
495.16498	4.2
495.33453	10.8
513.17291	9.8
513.27228	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	10.9
54.56500	2.7
55.01860	14.3
55.05516	39.8
57.03426	28.7
57.07043	4.0
61.02921	28.7
67.05502	92.7
69.03434	29.1
69.07066	50.7
71.04978	9.2
71.08618	11.1
73.02901	11.1
79.05488	81.8
81.03412	35.9
81.07053	100.0
83.04981	16.8
83.08609	30.1
85.02898	42.6
85.06531	7.6
87.04477	4.2
91.03937	13.0
91.05473	69.4
93.07042	88.6
95.04955	18.9
95.08604	75.1
95.09219	3.8
97.02894	34.6
97.06519	21.3
97.10158	9.6
99.04446	10.1
99.08088	8.8
101.02367	9.3
103.03929	8.1
105.07025	56.4
105.91285	3.6
107.04938	8.1
107.08583	63.4
109.02869	13.4
109.06518	9.3
109.10156	37.6
111.04447	7.5
111.08049	10.4
113.09660	4.2
115.03915	3.5
115.05466	4.8
117.07004	16.4
119.08574	49.2
121.06494	4.7
121.10139	47.1
123.04471	3.7
123.08070	8.0
123.11700	9.5
125.09618	6.4
127.03896	30.4
128.06154	3.1
129.05457	11.2
129.06979	10.9
131.08578	24.9
133.10120	41.1
135.08014	6.9
135.11676	38.9
137.09599	7.7
137.13272	3.1
139.03850	3.6
139.11150	4.5
143.08569	10.7
145.04950	6.0
145.06467	4.1
145.10106	22.8
147.08038	3.5
147.11688	41.1
149.02286	2.8
149.09660	4.4
149.13271	24.2
151.11148	8.2
153.01796	20.3
153.05408	3.3
157.10132	9.8
159.11668	21.6
161.09608	4.9
161.13249	25.6
163.11130	7.7
163.14810	8.3
165.12782	6.5
171.11661	10.6
173.11807	6.2
173.13251	12.4
175.11157	3.9
175.14769	9.9
177.12732	7.1
179.14349	30.6
183.06569	5.0
183.11639	3.2
185.13255	12.4
189.12709	6.1
191.14304	5.9
199.14838	6.9
205.15924	2.7
209.13353	3.8
213.16418	4.2
229.14284	6.1
231.21074	5.9
241.19624	13.9
259.20578	47.4
275.19998	5.1
277.21588	78.0
295.22729	3.9
301.21674	3.2
303.82202	3.1
325.06906	5.0
333.24100	14.3
351.08710	5.4
351.25250	99.2
357.24734	3.1
379.24860	3.8
385.23465	6.5
421.25812	4.1
441.26480	3.0
459.27206	9.1
460.26511	3.0
477.28534	3.7
495.29507	12.6
513.29248	20.3
513.36041	9.6
513.50372	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.7
55.01858	6.6
55.05504	26.8
57.03180	3.5
57.03433	38.7
57.07050	4.5
59.04972	2.5
61.02919	14.7
65.03947	4.6
66.02081	2.4
67.05501	69.9
69.03423	31.7
69.07061	25.8
69.29640	24.4
69.30056	6.0
70.06579	2.6
70.71068	2.5
71.01331	4.3
71.04988	18.6
73.02923	13.4
73.09121	2.2
79.05486	69.7
81.03417	22.5
81.07051	85.5
83.04983	14.9
83.08618	12.1
85.02905	35.3
85.06541	7.7
87.04441	3.5
91.03931	8.1
91.05470	56.4
93.07038	100.0
95.04984	13.3
95.08598	77.3
95.09060	1.6
96.36756	3.1
97.02892	38.2
97.06531	9.3
97.10139	8.4
98.21528	5.4
99.04444	10.9
99.08062	6.1
101.02374	10.1
103.03911	6.2
105.06378	4.5
105.07024	57.5
107.04932	6.3
107.08588	54.1
109.02876	12.1
109.06510	8.4
109.10142	28.1
111.04457	3.6
111.08054	5.5
113.09656	2.8
117.07006	20.4
119.08569	45.5
121.10132	44.4
123.08049	6.9
123.11678	8.3
125.09644	4.4
127.03904	16.6
129.05457	9.8
129.06975	9.3
131.08559	29.6
133.10129	45.4
135.08075	4.2
135.11687	36.3
137.06004	3.1
137.09561	5.7
137.13274	3.1
139.11142	3.3
141.07219	2.7
141.09099	2.7
143.08543	10.8
145.04980	3.6
145.10101	24.4
147.11682	31.8
149.09605	4.7
149.13258	23.2
151.11166	7.0
153.05476	4.0
157.10110	11.1
159.11678	20.5
161.13246	19.3
163.11159	5.0
163.14790	8.5
165.12779	4.7
171.11710	12.4
173.13271	16.4
175.14786	9.5
177.12781	4.4
183.06567	3.4
183.11652	2.9
185.13214	11.4
187.11153	3.1
187.14809	12.9
189.12749	3.1
189.16426	3.5
195.13853	4.3
199.14795	7.5
201.07628	3.3
201.16299	3.7
203.18047	2.9
205.15884	6.6
207.17455	2.5
213.16544	2.8
231.21031	6.8
241.19496	15.0
259.20572	41.8
275.20071	4.3
277.21579	49.6
277.24356	4.7
293.20923	4.9
295.05933	4.1
325.06827	4.5
333.24136	12.2
349.23868	3.8
351.08575	3.6
351.25259	85.7
393.26868	3.1
403.25006	2.8
459.27408	3.4
477.28275	3.8
495.29364	8.5
513.17908	3.2
513.29449	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.1
55.01862	11.5
55.05506	26.8
57.03180	3.5
57.03432	31.7
57.07058	7.2
59.04989	2.5
61.02925	18.3
67.05160	4.5
67.05502	71.0
69.03417	28.2
69.07061	31.8
69.64353	11.5
69.64787	9.0
71.01340	4.4
71.04992	22.0
72.08144	4.4
73.02897	12.9
79.05057	4.6
79.05488	69.3
81.03412	23.4
81.07053	100.0
83.04958	15.4
83.08610	14.7
85.02902	36.5
85.06517	7.9
91.03935	10.2
91.05468	58.3
93.06467	4.3
93.07041	78.5
95.04958	16.9
95.08601	83.7
95.55592	2.5
97.02885	34.3
97.06515	11.7
97.10146	6.3
99.04446	11.2
99.08070	6.0
101.02403	3.7
103.03902	5.8
104.94006	2.8
105.07027	54.4
107.04955	6.6
107.08588	56.3
109.02861	10.4
109.06499	12.3
109.10141	26.1
111.04427	4.1
111.08098	6.5
113.06004	3.6
113.83935	3.0
117.07028	13.1
119.08585	42.2
121.06516	4.2
121.10139	50.0
123.08045	5.3
123.11678	12.1
125.05949	5.7
125.09596	3.3
127.03914	31.2
129.05461	5.0
129.06982	8.3
131.08566	31.4
133.10123	37.4
135.08054	4.7
135.11673	40.9
137.05954	5.4
137.09590	4.4
137.13243	3.9
141.05508	3.5
143.08548	12.6
145.04938	3.3
145.10129	23.9
147.04370	4.3
147.08023	3.7
147.11676	26.2
149.09615	6.7
149.13292	22.7
151.07559	4.4
151.11142	5.0
153.05455	5.6
153.08997	2.9
155.08525	5.3
157.10135	6.6
159.11682	25.0
161.09662	5.3
161.13268	19.8
163.11153	9.1
163.14836	5.6
165.09105	3.0
165.12758	4.8
167.07048	3.9
171.11641	9.8
172.67876	3.2
173.09631	4.0
173.13251	18.0
175.11203	4.2
175.14813	11.2
177.12775	7.3
177.16351	3.3
181.12285	3.0
183.06496	4.2
183.11696	5.1
185.13245	12.6
187.14813	12.4
189.12781	3.3
197.13297	3.2
199.05913	3.6
199.14783	5.6
201.07501	3.3
201.12712	3.5
203.14360	3.6
205.15932	9.3
213.16396	3.3
217.08646	7.5
218.69958	2.8
236.15805	3.2
241.19510	12.7
259.20602	41.8
269.17596	3.3
275.19931	3.6
277.18710	5.1
277.21631	48.2
293.21231	5.7
301.21500	3.5
310.04651	11.9
311.05447	3.3
313.06952	3.5
325.03519	3.7
325.07028	37.7
325.22363	2.9
333.24173	11.1
336.06055	5.0
339.08548	4.8
346.08292	3.9
350.07538	3.9
351.08496	10.2
351.12445	5.8
351.25253	86.6
353.19839	3.7
361.10666	12.9
365.10162	4.9
367.11755	5.0
367.22781	3.3
379.07352	6.0
379.11761	57.0
381.13269	10.7
391.08014	5.5
393.26282	5.2
403.07913	7.5
403.24667	4.1
415.32104	3.4
421.08945	4.8
439.10239	5.3
477.18701	8.2
477.32318	6.2
495.28912	4.3
513.17133	14.8
513.30371	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55682	0.7
55.01859	0.8
55.05497	2.4
56.84510	0.7
57.03415	1.8
57.07056	0.8
61.02908	2.8
62.61589	0.6
67.01846	1.9
67.05499	8.0
68.99767	1.2
69.03417	1.9
69.07050	3.0
69.15063	0.7
70.18544	0.6
70.87418	2.3
71.01353	0.9
73.02880	1.3
79.05490	9.3
81.03391	1.5
81.07050	8.8
82.21534	0.6
83.08600	1.8
85.02877	2.7
85.06538	1.3
91.03960	1.2
91.05473	5.8
93.07038	11.0
95.04924	2.0
95.08601	7.5
97.02892	2.3
97.06526	1.0
97.10146	0.7
105.07017	8.1
107.08590	7.2
107.36182	0.8
109.06488	1.3
109.10147	2.6
117.07015	2.8
119.08572	8.3
121.10143	6.7
123.04507	0.8
123.08038	1.0
123.11671	0.9
127.03908	1.4
129.06937	1.2
131.08562	3.7
133.10086	8.0
135.11674	6.6
142.21693	0.7
143.08562	1.4
145.10075	3.7
147.11693	6.3
149.13260	5.0
153.01816	100.0
154.02153	1.8
157.10117	1.2
159.11639	3.2
161.13274	4.7
163.11053	1.2
163.14830	1.8
171.02882	2.8
171.11674	1.9
173.13254	2.2
175.14766	3.6
179.03389	2.8
185.13231	1.9
199.14777	0.9
201.16324	0.8
231.21097	1.1
241.19524	6.6
259.20544	12.5
277.21637	2.7
301.21661	0.7
325.06845	1.1
333.24176	1.7
349.23669	1.2
351.25278	34.5
355.15344	1.1
357.09628	1.0
441.26257	2.1
459.26801	1.1
477.32584	0.8
481.18597	1.9
495.29517	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01859	2.5
55.05503	10.7
57.03424	5.9
61.02909	11.3
67.05497	30.8
69.03416	9.0
69.07065	15.4
70.23324	10.2
71.04977	10.2
72.08139	2.5
73.02918	4.5
79.05484	29.5
81.03419	5.1
81.07050	38.0
83.04969	7.8
83.08614	7.0
85.02896	17.1
85.06541	4.9
91.03944	3.7
91.05463	30.1
93.07043	44.0
95.04964	6.2
95.08593	25.3
97.02897	12.0
97.06527	2.9
99.04459	2.9
99.08086	3.9
102.21735	2.4
105.07018	28.3
107.08584	29.0
109.06493	3.8
109.10145	12.3
117.07017	8.9
119.08568	26.9
121.10138	22.0
123.11668	5.4
127.03905	9.1
129.06978	8.0
131.08575	12.8
133.10114	26.1
135.08051	3.5
135.11668	23.3
143.08549	7.7
145.10089	18.0
147.04416	4.4
147.11684	24.1
147.47903	2.2
148.78177	2.3
149.13249	12.0
157.10144	9.2
159.11703	12.1
161.13248	17.5
163.11221	3.1
163.14809	5.1
165.12730	4.0
171.11703	10.6
171.32356	2.5
173.13220	9.8
175.14799	12.7
185.13206	7.5
187.14751	4.0
199.14696	3.2
203.42882	2.4
212.85649	2.5
213.16376	3.4
217.08545	11.6
231.21080	4.1
241.19527	17.4
259.20554	39.9
267.15945	5.8
275.20096	2.9
277.21616	6.6
285.16803	3.8
289.33673	2.8
310.04730	7.2
325.07013	27.7
333.24139	7.6
339.08481	3.6
349.23892	6.2
351.08682	3.3
351.25259	100.0
353.10181	3.3
367.11774	7.8
385.23712	3.2
395.11179	25.4
421.25818	4.1
441.26627	2.6
495.19806	7.4
495.29257	5.8
496.19995	3.5
513.16241	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	513.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.4
55.01838	0.7
55.05461	1.3
57.03384	1.1
57.07027	0.7
61.02868	1.0
65.03897	0.5
67.05499	4.0
69.03426	4.6
69.07061	2.6
69.47693	3.2
69.67201	0.3
70.06548	0.4
71.01312	0.6
71.04965	0.8
72.08100	0.4
73.02856	1.0
79.05479	1.9
81.03413	1.8
81.07050	6.1
83.04920	1.5
83.08570	0.7
85.02898	5.6
85.06484	1.5
87.04433	0.8
89.02330	0.4
91.05454	1.7
93.07040	3.3
95.04939	0.8
95.08592	4.6
97.02875	1.9
97.06475	1.0
97.10116	0.4
98.20722	0.7
99.04395	0.7
103.07531	0.3
105.07010	2.6
107.04880	0.9
107.08598	3.0
109.02814	1.4
109.06453	1.4
109.10155	3.2
111.04382	0.9
111.07988	0.7
112.00816	0.3
117.06974	0.5
119.04897	0.8
119.08562	1.9
121.02862	1.7
121.06437	1.0
121.10149	2.0
123.04367	0.8
123.07993	0.7
123.11633	1.1
125.05885	0.4
125.09589	0.6
127.03899	2.8
131.04861	0.4
131.08516	0.9
133.06403	0.5
133.10042	1.3
135.04323	0.9
135.07990	0.9
135.11638	1.5
137.05939	1.4
137.13156	0.6
138.08867	0.5
139.03828	0.6
139.07561	0.8
139.11143	0.3
143.08530	0.4
145.04919	0.4
145.06340	0.4
145.10052	1.1
147.04376	0.6
147.08023	0.6
147.11600	0.9
149.09593	0.4
149.13138	1.0
151.03862	0.4
151.07474	1.0
153.01831	1.9
153.05412	0.7
153.12651	0.4
157.10063	0.4
159.07954	0.6
159.11591	0.8
161.05969	0.4
161.09549	0.8
161.13275	0.6
163.03864	0.7
163.07431	0.5
163.11147	0.6
165.05476	0.4
165.09096	0.5
165.12709	0.4
167.03262	0.5
167.06955	1.3
173.13229	0.9
175.11154	0.7
175.14690	0.4
177.05428	0.5
177.12923	0.4
177.16354	0.5
179.07004	0.4
183.02695	0.3
183.07922	0.6
183.11760	0.4
189.09050	0.8
191.10522	0.5
193.08574	0.6
193.12305	0.7
195.02844	0.4
197.05952	0.5
199.05786	0.4
201.05435	0.5
201.16432	0.4
203.17917	0.8
205.12236	0.4
207.10210	0.5
211.07492	0.9
217.12148	0.4
219.02750	0.4
239.06886	1.0
239.09055	0.5
244.85536	0.4
245.04500	0.6
251.07014	1.0
253.08473	0.8
255.06343	0.4
263.05228	0.5
267.06503	10.7
274.09668	0.6
277.12097	0.4
279.06430	0.8
281.08191	1.7
282.05377	0.7
283.06006	4.0
284.06558	0.4
285.07495	0.8
289.08395	0.4
290.09384	1.5
294.05130	1.3
295.06064	3.0
297.07550	20.3
305.08023	1.5
307.06027	1.8
308.06738	1.3
309.07629	5.1
309.11115	0.9
310.04544	0.6
311.08978	0.8
317.08182	0.4
318.08783	2.1
319.09583	1.5
320.10507	0.6
321.07544	6.7
322.08359	1.0
323.09103	3.2
323.12759	0.8
325.07059	3.0
333.07248	0.6
333.11145	9.5
335.09015	2.1
336.06229	0.6
336.09805	3.3
339.05112	0.4
339.08484	1.9
351.08704	3.8
351.12247	87.4
352.12677	1.0
357.09729	0.7
365.10098	0.6
393.13327	3.8
395.29156	0.4
397.30814	0.5
409.21628	0.4
415.32388	0.6
433.33087	0.7
441.29886	1.6
451.13559	0.4
459.30945	2.8
477.32233	1.9
495.15997	0.5
495.33862	0.5
513.17554	100.0
514.17706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01830	0.9
55.05475	1.2
57.03400	1.0
57.07048	0.4
57.21996	0.4
61.02892	0.8
65.03902	0.5
67.05502	3.0
69.03432	4.2
69.07068	1.9
69.07342	0.4
69.94904	2.2
71.01315	0.4
72.73456	0.4
73.02866	1.4
79.05431	1.4
81.03374	1.7
81.07043	4.7
83.04951	0.6
83.08585	0.8
85.02908	5.9
85.06499	1.2
87.04423	0.7
91.05443	1.8
92.98178	0.4
93.06985	1.7
95.04923	0.6
95.08598	3.1
97.02904	2.1
97.10120	0.5
99.04453	0.9
101.02338	0.5
105.07037	1.9
105.70657	0.4
107.04903	0.8
107.08570	2.0
109.02827	1.2
109.06485	0.6
109.10140	2.0
109.45486	0.4
111.04395	0.8
113.70446	0.4
119.04935	1.0
119.08542	0.9
121.02850	1.8
121.06482	0.7
121.10096	1.4
123.08007	0.4
123.11649	1.2
125.05937	0.5
125.09600	0.4
127.03912	1.8
131.08473	0.5
133.10123	0.8
133.57347	0.4
135.04414	0.9
135.08066	0.5
135.11659	0.9
136.80923	0.4
137.05937	0.6
137.13158	0.4
139.03911	0.6
139.07436	0.5
145.02844	0.7
145.10078	1.1
147.04327	1.1
147.11639	1.0
149.02248	0.4
149.13228	0.9
151.07520	0.6
153.01797	0.6
153.05405	1.6
157.06390	0.4
159.11618	0.8
161.05891	0.4
161.13255	0.4
163.03839	0.8
163.11171	0.3
165.06987	0.6
167.06999	1.3
171.07964	0.5
173.13210	0.4
173.47350	0.3
173.90405	0.4
177.01761	0.4
181.04964	0.8
183.02768	0.6
183.08014	0.5
189.09103	0.7
191.03423	0.5
197.05962	0.5
199.05968	0.8
201.00603	0.4
207.10052	0.5
211.07556	1.0
217.08548	1.5
229.04939	0.4
239.06874	0.9
241.08508	0.7
245.04445	0.5
247.07603	0.4
251.06976	0.8
253.08566	1.0
262.09961	0.4
267.06509	12.9
267.09454	0.7
273.03888	0.4
274.09857	0.7
277.12241	0.7
281.08258	2.4
283.05981	4.6
284.06595	0.4
285.07562	1.2
290.09399	1.5
293.07996	0.8
294.05225	1.3
295.06015	2.0
297.07568	24.4
305.08105	3.0
305.11288	0.6
307.05997	2.1
307.09320	0.7
307.15363	0.4
308.06799	1.3
309.07614	6.6
309.11124	1.0
310.04697	1.0
311.09070	1.3
317.08041	0.7
318.08929	3.0
319.09592	1.4
320.10376	1.1
321.07535	8.5
321.11130	0.6
322.08270	0.6
323.09140	3.1
323.12497	0.6
325.07031	4.0
333.07721	0.6
333.11206	11.5
335.09073	3.4
336.06281	0.6
336.09885	2.8
339.08618	1.5
351.08771	3.5
351.12256	100.0
352.12631	1.7
365.10165	0.4
379.11542	0.7
381.13333	1.1
391.07831	0.6
393.13370	4.1
393.26266	0.7
411.14661	0.4
421.08920	0.7
452.40521	0.5
459.31055	1.4
465.15244	0.6
477.14325	0.6
477.32385	1.9
495.16406	0.6
495.33365	0.9
513.17566	95.1
514.17743	1.1
518.77899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.4
55.01825	0.6
55.05466	0.3
61.02922	1.1
65.03902	0.3
67.05507	1.3
67.77222	0.2
69.03419	3.2
69.07017	0.6
70.01398	0.3
70.01801	0.8
71.04941	0.3
73.02869	0.9
79.05457	0.4
81.03413	1.3
81.06997	0.9
83.01302	0.2
83.04897	0.2
85.02896	4.6
87.04411	0.7
91.03909	0.2
91.05427	0.4
93.07005	0.4
95.04910	0.2
95.08548	0.7
97.02882	1.4
99.04398	0.6
101.02353	0.4
103.03899	0.3
105.06973	0.4
107.04922	0.4
107.08548	0.2
109.02840	0.7
109.10092	0.4
119.04854	0.3
119.08544	0.3
121.02855	1.0
121.10092	0.4
123.07938	0.2
127.03854	0.9
131.04893	0.3
133.10103	0.4
135.04347	0.2
135.11615	0.2
137.05951	0.3
137.97498	0.2
145.02791	0.4
151.03915	0.2
153.01790	0.5
153.05386	0.3
159.11617	0.2
163.03929	0.4
165.06937	0.3
167.03366	0.3
167.07013	0.2
171.08047	0.3
183.08017	0.5
187.03946	0.3
189.09071	0.2
191.03285	0.2
197.09584	0.3
207.08032	0.3
211.07477	0.7
225.08934	0.4
231.07979	0.4
239.07040	0.7
245.09575	0.5
247.07442	0.3
251.07022	0.7
253.08560	0.8
255.06448	0.3
261.09128	0.3
262.09821	0.7
263.06995	0.6
263.10056	0.2
267.06500	12.2
269.08163	0.2
273.03915	0.3
273.08890	0.2
274.09842	0.7
275.07040	0.5
277.12216	0.4
279.06488	0.5
281.08075	2.4
282.05423	0.3
283.05972	3.3
285.07584	1.1
289.08588	0.3
290.09232	1.5
291.10172	0.2
293.08051	0.4
294.05292	1.0
295.06024	1.0
295.13074	0.3
297.07544	21.3
304.06958	0.3
305.08090	1.4
305.11252	0.3
307.05957	1.5
307.09311	0.3
308.06689	1.1
309.07590	5.3
309.11136	0.6
310.04581	0.4
311.09140	1.0
317.08102	0.7
318.08826	2.3
319.09698	1.2
320.10309	0.7
321.07541	6.5
322.08401	0.8
323.09085	2.5
323.12741	0.6
325.07025	1.7
333.07184	0.5
333.11157	10.2
335.09094	1.9
336.09888	2.6
339.08621	0.6
342.20056	0.2
350.11569	0.3
351.12222	93.2
352.12393	1.0
365.10205	0.4
375.12466	0.4
381.13391	0.6
391.08014	0.2
393.13287	3.4
417.13232	0.3
477.31912	0.2
495.16312	0.4
513.17511	100.0
514.17767	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01863	1.7
55.05510	3.4
57.07051	0.9
59.04985	0.6
61.02921	2.6
65.03931	0.7
67.05497	5.8
69.03066	0.7
69.03424	7.8
69.07069	5.3
70.06580	1.1
71.04979	1.1
71.62943	0.7
72.08141	1.9
73.02914	11.4
74.03249	1.4
77.03893	0.5
79.05488	3.9
81.03424	2.1
81.07054	12.9
83.01349	0.8
83.02710	0.4
83.04986	3.0
83.08593	1.1
84.08151	0.5
85.02901	11.2
85.06544	3.9
85.10133	0.4
86.03234	2.2
86.09702	0.8
87.04484	0.7
91.03898	0.5
91.05473	4.1
92.99757	3.0
93.07040	8.0
95.04964	2.3
95.08607	8.8
97.02883	9.1
97.06521	1.3
97.10146	1.5
98.03229	1.3
98.09697	0.6
99.04449	1.6
99.08076	1.5
101.02373	0.7
103.05475	0.7
105.03339	0.6
105.07032	5.6
107.04948	1.6
107.08591	7.0
109.02869	1.9
109.06506	3.1
109.10149	7.6
111.04436	2.4
111.08071	1.2
111.11710	0.5
113.06017	0.5
113.09604	0.5
115.03916	4.4
115.05423	1.0
116.04274	1.4
117.07014	1.0
119.04946	1.5
119.08556	3.8
121.02810	0.5
121.06517	1.9
121.10143	4.0
123.04436	2.3
123.08038	1.9
123.11703	3.5
125.05981	1.2
125.09609	1.7
127.03918	5.7
127.11171	0.6
128.04234	1.0
128.06204	1.3
129.05481	1.0
129.07066	2.1
131.04880	0.9
131.08560	2.0
133.04965	3.3
133.06479	1.1
133.10133	2.3
134.03630	0.5
134.05328	0.5
135.04417	1.1
135.08040	1.7
135.11685	2.7
137.02332	1.1
137.05975	2.5
137.09601	1.1
137.13243	1.0
139.03920	0.9
139.07549	1.3
139.11156	0.8
141.05472	1.2
142.07764	0.7
143.08522	0.7
145.04929	3.4
145.06500	1.1
145.10130	2.6
146.05290	1.1
147.04433	3.1
147.08028	1.5
147.11690	2.8
149.05981	1.7
149.09610	0.9
149.13261	2.9
151.03909	2.6
151.07527	2.9
151.11177	0.7
153.01874	0.6
153.05450	2.4
153.07014	0.8
153.09140	0.7
155.04910	2.2
155.07042	0.8
155.08505	1.3
156.09018	0.6
157.06477	1.8
157.10112	0.8
159.08075	0.9
159.11713	1.2
161.02338	0.8
161.05998	1.9
161.09613	1.5
161.13210	0.8
163.03880	0.7
163.06070	1.1
163.07480	0.8
163.11185	1.7
163.14755	0.7
165.05464	2.5
165.06744	0.6
165.09125	1.7
165.12767	0.9
167.07050	6.9
167.10710	0.5
169.04916	0.5
171.04469	0.5
171.06509	1.2
171.08069	0.7
171.11636	0.6
172.08240	0.4
173.05956	0.6
173.09596	1.0
173.13298	0.9
175.03877	0.9
175.07567	1.2
175.11188	1.0
175.14865	1.0
177.01915	0.6
177.05453	0.6
177.09061	0.5
178.07814	0.5
179.03394	1.6
179.06990	1.4
179.08472	0.6
179.10683	1.2
181.04990	0.7
181.06546	0.5
181.08580	1.5
181.10068	0.5
181.12178	0.5
183.06583	0.7
183.08032	9.5
184.08388	9.4
185.06007	2.1
185.09647	0.7
187.03841	0.7
187.11108	0.6
189.05440	2.0
189.09055	1.0
189.16389	0.7
191.10687	3.3
191.14304	0.6
193.08635	2.9
193.12189	0.6
195.10188	0.7
197.09621	1.9
198.09938	1.5
199.04019	0.5
201.09091	1.2
201.16452	0.7
202.09502	0.8
203.08665	0.7
203.10588	0.9
203.17906	1.0
205.08612	0.8
205.12198	0.9
206.07245	0.7
207.08131	0.5
207.10071	0.9
207.13828	0.5
209.09856	0.6
209.11717	1.6
211.09518	0.8
211.13145	0.5
213.05594	0.7
215.10582	0.6
217.04945	3.7
217.08618	0.5
219.10167	1.2
220.03642	1.1
221.09605	1.7
221.11774	1.0
222.09875	0.8
223.05882	0.7
225.09090	0.8
226.09467	1.3
231.08072	0.8
233.15466	0.5
234.06754	0.7
235.05983	0.6
237.09070	0.8
237.11163	3.8
238.09453	1.4
241.06902	0.8
249.09071	1.6
252.07785	1.1
253.08585	0.7
255.12210	1.1
259.07932	1.3
260.08588	0.6
267.10269	2.2
273.13431	0.5
277.08661	1.5
279.06619	0.6
280.07593	0.6
280.10477	1.1
283.05972	1.0
286.04739	1.2
289.03384	5.0
290.05548	0.8
291.06610	0.5
295.06165	0.8
295.09628	1.3
297.11057	0.5
298.11542	1.6
305.08020	1.7
307.05887	1.0
308.06866	2.9
309.07596	1.3
310.04672	4.9
310.11502	1.4
323.05649	1.6
323.09094	20.1
325.07016	3.5
328.12543	0.8
333.07584	2.9
335.05731	0.5
336.06268	12.5
350.07822	0.7
351.08618	100.0
352.08817	1.0
381.13242	0.9
391.08051	0.5
393.26205	0.6
397.31500	0.5
415.32028	1.4
421.09344	0.5
423.28809	0.9
433.32977	1.1
441.30197	2.9
459.21210	0.5
459.31253	3.9
472.73511	0.5
477.32849	2.5
495.33090	0.9
513.13855	85.3
514.14307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03937	0.8
57.07070	1.4
64.50259	0.3
69.63773	0.4
69.64177	1.9
70.06582	1.2
71.08629	0.9
79.05495	4.2
81.07069	0.5
88.07633	2.2
89.06030	2.3
91.05430	0.3
93.07051	0.3
93.93342	0.3
95.04968	2.4
95.08616	0.6
102.09164	1.0
103.05462	3.0
105.07027	100.0
106.07345	0.7
119.08548	0.4
121.06508	2.9
147.08063	0.5
149.09531	0.3
165.09114	0.8
183.10162	20.8
196.69981	0.3
209.13272	3.6
223.11211	0.6
228.23172	0.4
251.14423	0.7
256.26334	4.8
274.27463	0.3
283.26315	5.8
285.14709	0.3
287.16422	6.2
311.29602	0.5
321.74530	0.3
327.17361	0.7
340.29230	0.3
385.10046	0.3
389.21146	1.1
391.22800	0.5
438.29639	0.3
512.38416	0.4
512.50403	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
57.07071	2.6
65.41841	0.3
67.05499	0.6
69.07048	0.4
70.06575	2.0
70.42232	0.6
70.42626	0.8
71.08633	1.6
77.03937	0.4
79.05487	3.7
81.07012	0.4
83.08596	0.3
85.10152	0.7
88.07626	3.1
89.06032	2.5
93.07026	0.7
95.04953	2.0
95.08613	0.7
97.10152	0.3
102.09138	1.8
103.05460	3.4
105.07021	100.0
106.07343	0.8
109.10197	0.4
119.08620	0.3
121.06484	3.3
133.08588	0.3
147.08078	0.5
165.09174	0.9
183.10156	23.5
191.10722	0.6
209.13277	4.5
223.11220	0.7
228.23228	1.0
251.14313	0.5
256.26343	9.0
274.27298	0.5
283.26300	9.1
287.16391	6.9
311.29404	1.1
327.17404	0.8
327.20657	0.4
389.21185	0.8
511.27567	0.3
512.50330	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01865	1.2
55.05516	4.8
57.03434	0.9
67.05503	2.5
69.03426	7.6
69.07054	3.7
70.06599	6.0
71.04973	2.3
71.62922	1.6
72.08154	21.0
73.08485	2.1
73.32534	0.8
74.06073	0.8
78.03463	5.6
79.05493	3.0
80.05019	2.2
81.03414	10.9
81.07056	6.9
83.04977	4.0
83.08627	2.8
84.08134	3.9
85.02905	7.0
85.06544	1.5
86.09705	2.6
89.10780	2.4
91.05487	6.4
93.03394	1.5
93.07044	4.9
95.04961	11.8
95.08613	4.1
96.04501	4.9
97.02887	12.1
97.06527	2.3
97.07633	1.2
98.06058	1.6
99.04451	5.3
105.07030	7.0
106.02206	1.8
106.02915	32.3
106.04100	1.6
107.04984	1.2
107.08610	7.3
109.02866	6.9
109.06525	7.3
109.10150	7.5
110.02396	2.9
111.08060	1.4
114.10307	4.6
115.08716	1.6
115.10652	1.2
117.07007	1.8
119.04947	7.9
119.08585	4.7
119.67873	0.9
120.08106	1.8
121.06496	1.9
121.10139	8.7
123.04431	1.8
123.08092	2.2
123.11684	4.3
124.03949	100.0
124.07555	1.3
127.03915	7.4
127.07565	1.1
129.10213	2.2
131.08585	2.4
131.12935	1.4
133.06470	1.7
133.10112	10.8
135.08011	2.6
135.11662	1.7
137.05974	1.8
143.08560	0.9
145.10101	2.9
147.04413	31.4
147.11676	4.2
148.04741	9.2
149.05968	3.8
149.13251	3.0
150.06660	1.1
151.07486	1.2
151.08623	1.2
151.11174	3.3
152.07109	4.5
153.07413	1.4
153.09099	4.0
158.10876	1.2
163.14793	1.8
165.12810	1.0
166.04967	1.4
167.07033	2.8
167.14313	4.2
173.13254	6.6
177.05492	2.1
179.06989	1.2
181.08521	1.4
191.14308	9.0
193.08586	5.2
199.61320	1.0
209.08107	5.9
209.15358	15.0
210.08466	1.5
211.09689	10.2
217.13445	1.4
218.11798	2.3
218.13684	1.4
232.05986	2.9
235.14388	1.7
236.14795	1.2
250.07077	10.3
255.08696	1.4
268.08148	61.2
269.23508	0.8
277.16547	1.1
278.16766	1.1
286.09137	6.9
315.12137	1.6
371.12173	1.0
476.22836	5.5
480.17514	1.1
494.23975	9.6
499.08527	1.1
512.14600	1.1
512.23529	1.6
512.30707	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	512.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.48220	0.7
55.01863	6.1
55.05508	1.5
57.03185	0.8
57.03434	13.4
59.04989	1.8
60.04543	0.7
60.27332	0.7
61.02919	12.0
67.05485	3.3
69.03423	23.5
69.07033	2.0
70.06571	1.2
71.01340	3.3
71.03671	2.5
71.04972	1.7
72.08138	2.6
72.97031	0.7
73.02909	65.9
79.05484	1.8
81.03416	5.4
81.07052	4.9
82.07363	1.0
83.04955	1.4
84.08107	1.3
85.02895	55.4
85.06518	1.3
87.04462	4.0
91.03915	2.1
91.05457	2.4
92.99754	0.9
93.07020	2.6
94.07364	1.0
95.04980	1.6
95.08591	3.5
96.04456	0.9
96.08920	1.3
97.02881	47.4
97.06501	0.9
99.04433	3.2
103.03918	3.9
103.05434	1.3
105.07024	2.3
107.08572	1.9
109.02866	5.1
109.10108	2.4
110.10445	1.2
111.04398	1.6
114.05497	1.1
115.03917	24.3
115.05433	2.2
117.07043	0.8
119.04908	0.9
119.08561	2.1
121.06547	1.1
121.10123	1.5
123.04397	2.1
123.11700	0.8
127.03902	23.1
128.06207	2.2
129.06984	2.9
130.07780	0.8
131.04904	1.1
131.08548	1.0
132.05682	2.5
132.06551	1.2
133.04955	24.9
133.10129	1.9
135.08070	1.0
137.05972	1.5
137.13203	0.8
138.05518	1.0
139.03860	1.1
142.07718	1.0
144.05663	1.1
145.04944	26.7
145.06175	1.3
145.10107	0.8
146.07280	0.7
147.04388	2.5
147.11777	0.7
149.05957	1.3
150.07635	4.9
151.03865	1.3
153.05647	0.7
153.06934	4.2
154.07727	1.8
155.04941	0.8
155.08545	6.5
157.04961	0.9
157.06436	0.9
161.05922	1.0
163.06046	7.3
165.07021	4.7
166.07484	0.9
167.07001	2.8
168.05698	5.7
169.04962	1.1
169.10028	2.2
171.08015	4.9
179.03293	0.9
179.08591	1.0
180.08641	1.6
181.04918	1.1
181.06454	1.8
182.07228	2.3
183.08031	100.0
183.17404	1.8
184.08295	1.4
185.09590	3.6
193.04939	1.9
194.07324	0.9
195.08061	3.0
197.09598	17.2
199.05977	2.6
201.09088	11.0
207.06358	1.0
207.08046	2.9
209.09599	3.9
211.07561	1.4
213.09114	1.1
217.05060	6.1
217.06937	1.4
219.08047	1.6
221.09581	6.3
223.05684	4.8
223.07631	2.5
223.11092	1.6
225.09062	8.7
233.09525	1.0
235.05907	1.6
237.09067	7.8
239.10709	1.4
240.09299	0.8
241.06804	4.9
249.09096	5.8
251.10657	2.0
259.08087	6.6
261.09027	1.0
263.10620	1.9
267.10120	3.3
277.08905	1.6
279.10083	6.5
291.10156	1.5
295.05820	0.9
295.10220	1.5
297.11154	11.6
309.11154	6.8
315.12137	0.9
323.09073	4.7
325.06741	1.0
327.12201	6.9
333.07346	1.3
336.06128	2.2
351.08597	25.2
458.29926	1.3
476.30505	2.1
512.15710	1.7
512.31628	1.1
513.13715	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.48220	0.7
55.01863	6.1
55.05508	1.5
57.03185	0.8
57.03434	13.4
59.04989	1.8
60.04543	0.7
60.27332	0.7
61.02919	12.0
67.05485	3.3
69.03423	23.5
69.07033	2.0
70.06571	1.2
71.01340	3.3
71.03671	2.5
71.04972	1.7
72.08138	2.6
72.97031	0.7
73.02909	65.9
79.05484	1.8
81.03416	5.4
81.07052	4.9
82.07363	1.0
83.04955	1.4
84.08107	1.3
85.02895	55.4
85.06518	1.3
87.04462	4.0
91.03915	2.1
91.05457	2.4
92.99754	0.9
93.07020	2.6
94.07364	1.0
95.04980	1.6
95.08591	3.5
96.04456	0.9
96.08920	1.3
97.02881	47.4
97.06501	0.9
99.04433	3.2
103.03918	3.9
103.05434	1.3
105.07024	2.3
107.08572	1.9
109.02866	5.1
109.10108	2.4
110.10445	1.2
111.04398	1.6
114.05497	1.1
115.03917	24.3
115.05433	2.2
117.07043	0.8
119.04908	0.9
119.08561	2.1
121.06547	1.1
121.10123	1.5
123.04397	2.1
123.11700	0.8
127.03902	23.1
128.06207	2.2
129.06984	2.9
130.07780	0.8
131.04904	1.1
131.08548	1.0
132.05682	2.5
132.06551	1.2
133.04955	24.9
133.10129	1.9
135.08070	1.0
137.05972	1.5
137.13203	0.8
138.05518	1.0
139.03860	1.1
142.07718	1.0
144.05663	1.1
145.04944	26.7
145.06175	1.3
145.10107	0.8
146.07280	0.7
147.04388	2.5
147.11777	0.7
149.05957	1.3
150.07635	4.9
151.03865	1.3
153.05647	0.7
153.06934	4.2
154.07727	1.8
155.04941	0.8
155.08545	6.5
157.04961	0.9
157.06436	0.9
161.05922	1.0
163.06046	7.3
165.07021	4.7
166.07484	0.9
167.07001	2.8
168.05698	5.7
169.04962	1.1
169.10028	2.2
171.08015	4.9
179.03293	0.9
179.08591	1.0
180.08641	1.6
181.04918	1.1
181.06454	1.8
182.07228	2.3
183.08031	100.0
183.17404	1.8
184.08295	1.4
185.09590	3.6
193.04939	1.9
194.07324	0.9
195.08061	3.0
197.09598	17.2
199.05977	2.6
201.09088	11.0
207.06358	1.0
207.08046	2.9
209.09599	3.9
211.07561	1.4
213.09114	1.1
217.05060	6.1
217.06937	1.4
219.08047	1.6
221.09581	6.3
223.05684	4.8
223.07631	2.5
223.11092	1.6
225.09062	8.7
233.09525	1.0
235.05907	1.6
237.09067	7.8
239.10709	1.4
240.09299	0.8
241.06804	4.9
249.09096	5.8
251.10657	2.0
259.08087	6.6
261.09027	1.0
263.10620	1.9
267.10120	3.3
277.08905	1.6
279.10083	6.5
291.10156	1.5
295.05820	0.9
295.10220	1.5
297.11154	11.6
309.11154	6.8
315.12137	0.9
323.09073	4.7
325.06741	1.0
327.12201	6.9
333.07346	1.3
336.06128	2.2
351.08597	25.2
458.29926	1.3
476.30505	2.1
512.15710	1.7
512.31628	1.1
513.13715	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02990	0.3
55.05494	0.4
60.05644	1.8
64.19471	0.2
65.03933	0.6
69.03406	0.3
70.06567	1.0
70.12864	1.4
72.08150	25.8
81.03402	0.3
84.08128	0.6
85.02882	1.2
86.09682	0.4
89.10785	6.4
91.05473	5.5
94.18893	0.2
95.04981	0.3
97.02883	0.6
97.07632	2.0
98.06023	1.1
109.02890	0.6
114.10285	12.4
114.12799	0.4
115.08698	2.0
119.04936	16.9
120.08114	0.6
122.05960	0.4
127.03900	0.5
131.04927	0.3
131.12897	2.2
138.05473	0.6
139.05814	0.3
140.08180	0.3
145.04999	0.4
147.04399	100.0
148.04716	1.1
157.10832	0.3
164.06944	0.3
166.08551	0.4
176.10747	0.4
217.13324	2.8
218.11748	12.8
235.14412	6.8
255.81091	0.3
256.15649	0.4
260.13953	2.4
277.16571	3.8
293.08353	0.4
307.06094	0.3
390.00204	0.3
469.28134	0.6
494.27618	3.3
511.30261	69.8
512.23657	0.3
512.30316	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	511.3268
Annotation	Palythoalone A
Peak:m/z	Relative Intensity
53.03946	2.5
55.01874	2.5
55.05507	12.2
57.03440	2.8
57.07077	6.3
62.66477	1.0
65.03944	2.6
67.05204	0.8
67.05502	30.7
69.03425	7.0
69.07063	19.5
70.06586	7.7
71.04990	5.4
72.08155	27.8
79.05492	14.2
81.03423	3.7
81.07052	45.7
83.01365	3.5
83.04993	4.3
83.08599	5.8
84.08164	2.1
85.02888	7.7
85.06541	23.6
85.07005	1.8
86.09727	1.9
89.10782	1.5
91.05482	11.9
93.07039	27.5
94.07419	1.4
95.01327	1.7
95.04985	3.9
95.08600	31.0
97.02925	4.6
97.06561	4.4
97.07683	3.5
97.10198	1.8
98.09715	1.2
99.00822	10.0
99.04452	9.2
99.08109	2.6
103.05458	1.5
105.07034	15.3
107.04971	3.5
107.08596	19.4
109.02931	3.7
109.06506	6.3
109.10154	20.3
110.02402	7.3
111.04465	1.6
111.08084	3.0
112.07592	6.8
113.02397	3.4
113.06065	1.2
113.07974	1.7
114.10297	6.4
117.01889	1.7
117.07035	3.4
119.04945	7.7
119.08566	10.7
119.09189	1.0
121.02912	1.4
121.06530	2.9
121.10132	13.1
123.04492	1.7
123.08064	2.6
123.11716	6.5
125.02391	1.2
125.06023	3.8
125.09659	3.4
127.03928	7.8
129.05511	1.3
129.07083	2.1
131.04965	2.3
131.08597	3.3
133.06537	3.5
133.10138	7.7
135.04401	2.7
135.08115	3.4
135.11668	7.0
137.05975	10.8
137.09625	2.3
137.13281	2.2
139.03908	1.7
139.07642	4.4
139.11195	2.4
140.07111	1.6
143.08574	1.5
143.10689	1.3
145.10162	4.9
147.04404	39.4
147.08026	2.2
147.11699	8.9
148.04817	2.0
149.02408	1.5
149.06032	3.3
149.09598	1.6
149.13318	5.1
151.07590	8.0
151.08652	2.5
152.07063	6.8
153.05463	5.3
155.07098	4.2
157.10184	1.3
159.11739	1.8
161.06033	4.6
161.09656	3.1
161.13300	3.1
163.03958	6.0
163.07623	3.9
163.11165	2.4
163.14876	3.1
165.05492	3.3
165.09175	4.5
165.12767	1.5
167.07031	11.1
169.09813	3.0
171.08148	2.7
173.13284	2.5
175.03902	2.2
175.07599	4.8
175.11238	2.5
175.14902	2.9
177.05472	12.2
177.09184	2.8
177.16530	1.2
179.07071	2.1
179.10751	3.2
181.04971	18.7
181.08614	1.2
183.06487	11.2
183.11845	1.1
185.09561	1.5
187.07623	1.7
189.09111	21.8
191.07002	2.7
191.10741	2.0
193.08594	1.9
193.12254	2.0
194.09288	1.7
195.06528	57.8
201.09303	1.2
201.16461	1.6
203.10770	5.2
203.18010	2.1
205.08644	2.1
205.12254	1.2
207.06497	6.9
207.10205	1.9
209.08058	19.2
209.09837	1.5
213.12616	1.4
215.10788	2.2
217.08789	2.0
217.13609	1.6
218.11848	4.6
219.10326	2.8
221.08244	3.7
223.09639	31.0
223.11546	1.9
229.12334	2.4
229.35080	1.3
231.13986	1.7
232.43648	1.3
235.09549	5.5
235.14532	2.1
237.11194	21.7
239.09047	1.6
243.13885	2.3
247.09874	3.2
249.11249	19.5
251.12933	3.1
257.15253	1.6
260.14020	1.3
261.11346	3.6
263.12955	4.1
271.13379	1.3
275.12881	2.7
277.14365	2.5
277.17032	2.2
287.12936	1.8
289.14359	9.7
289.51718	1.1
291.16058	4.2
292.15683	2.0
296.07059	1.4
303.15793	5.5
305.17355	5.5
315.16064	3.0
317.17511	6.2
319.19113	1.9
329.17856	2.5
331.19339	2.0
334.83109	1.2
347.18967	1.5
353.41776	1.3
373.23846	5.4
383.22571	1.4
391.24881	10.0
395.29745	2.3
427.28781	2.6
439.28772	4.9
445.29688	5.1
457.29535	32.9
457.35489	2.0
458.30484	1.1
475.30536	100.0
476.31287	2.1
493.31625	97.0
511.32111	81.3
511.44135	1.3
512.32098	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	511.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
55.02994	2.0
55.05495	1.9
58.44029	0.3
60.05647	1.4
69.61848	0.6
69.62252	2.1
70.06586	1.9
72.08150	61.0
80.01357	0.7
85.98064	0.3
86.09703	0.6
89.10785	1.7
91.05473	0.7
93.85389	0.4
97.04025	0.7
97.07648	9.0
98.02402	2.3
98.06049	1.9
107.04967	1.4
109.03989	1.7
110.02396	24.6
114.10279	19.1
114.12784	0.4
115.08695	2.5
119.04932	3.9
124.07603	0.4
131.12900	2.5
145.06516	1.1
147.04396	32.4
148.04936	0.4
150.10258	0.5
151.08655	13.5
152.07056	28.1
168.11374	0.5
168.14961	0.9
169.09712	5.7
176.08223	0.7
184.80725	0.4
193.10909	0.6
194.09241	7.0
211.11932	1.3
212.08350	0.8
215.04630	0.4
217.13336	6.6
218.11739	4.6
223.07663	0.5
223.14397	0.8
235.14392	2.0
237.09177	1.2
247.15489	0.4
260.13998	1.6
264.18234	1.3
265.08630	0.9
265.16617	1.7
277.16580	4.9
278.38687	0.4
293.08090	0.8
299.64261	0.4
324.54807	0.4
331.21375	0.9
335.17587	0.4
336.15915	0.4
360.12643	0.3
363.17020	1.7
364.15546	0.5
381.18079	1.1
423.20209	0.5
451.27127	1.3
469.28342	0.6
476.26614	2.3
477.25146	1.5
493.29337	0.9
494.27637	7.0
511.30261	100.0
512.30505	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01859	8.9
55.05505	28.5
55.69910	2.2
57.03432	25.9
57.07058	3.8
59.04985	5.2
61.02921	20.6
65.03928	6.4
67.05498	50.2
68.99767	2.4
69.03124	2.4
69.03427	27.9
69.07060	34.3
69.70134	5.0
69.70559	12.1
70.06564	3.1
71.01315	2.8
71.04980	8.1
73.02921	12.4
73.06576	2.6
79.05488	49.8
81.03412	28.3
81.07050	76.9
83.04972	18.5
83.08615	16.4
85.02893	29.2
85.06538	15.6
89.06023	4.4
91.03926	7.6
91.05474	59.5
93.06461	3.4
93.07035	51.8
95.04961	20.7
95.08038	3.9
95.08602	51.2
97.02889	29.8
97.06531	14.2
97.10157	4.2
98.97576	5.9
99.04448	11.5
99.08073	5.9
101.02367	6.7
101.06001	4.1
103.03931	4.4
105.07022	59.1
107.04928	9.1
107.08578	40.2
109.02870	13.3
109.06525	15.5
109.10141	32.3
111.04436	8.5
111.08070	6.4
111.11690	9.0
113.06011	3.6
115.03905	3.2
115.05462	4.1
115.07582	2.5
116.06267	2.4
116.98638	5.1
117.06995	27.7
119.04949	4.6
119.08563	51.2
121.02876	2.6
121.06477	9.3
121.10131	24.3
123.04398	9.2
123.08049	7.9
123.11694	13.2
125.05986	7.9
125.09612	8.1
127.03924	24.7
128.06215	3.0
128.98524	2.6
129.05475	3.2
129.06969	12.7
129.12775	5.4
131.08566	39.4
133.06453	3.9
133.10104	36.9
133.11070	3.2
135.04372	3.8
135.08089	8.3
135.11674	19.0
137.05908	11.7
137.09581	6.7
137.13251	4.4
139.00249	2.0
139.03915	6.6
139.07520	4.8
139.11099	3.0
141.05516	2.7
141.06975	4.7
142.07791	3.8
143.08522	17.1
145.04959	4.2
145.06442	4.4
145.10121	45.7
146.99605	6.2
147.04317	3.8
147.08014	5.3
147.11678	28.2
149.05962	2.7
149.09615	12.3
149.13297	5.0
151.07503	5.8
151.11148	4.2
153.01801	5.1
153.05437	7.9
153.09091	2.5
155.08582	5.9
156.09331	2.3
157.06503	4.0
157.10092	18.8
158.99590	2.8
159.08069	5.4
159.11673	29.2
161.09593	9.1
161.13264	13.6
163.07489	2.8
163.11174	12.5
163.14900	3.7
164.56795	2.3
165.05563	3.1
165.09119	2.1
165.12781	4.3
167.03389	100.0
167.07057	17.3
168.03728	2.6
169.04971	5.4
169.08839	2.9
169.10020	10.8
170.02167	4.3
170.99548	4.2
171.11646	13.6
173.05952	3.6
173.09589	5.1
173.13231	18.9
175.11172	8.4
175.14789	4.7
177.05460	4.1
177.09081	3.7
177.12701	3.6
179.07033	3.2
179.10629	2.9
179.14214	3.2
181.04948	4.7
181.10168	2.8
183.06409	2.5
183.11618	12.0
185.13333	10.6
187.11157	4.8
187.14789	5.0
189.00652	12.4
189.09140	4.5
189.11061	2.7
189.12715	3.7
191.10672	2.8
191.14230	3.0
191.17862	2.5
193.08546	2.3
193.12254	5.9
195.06477	3.0
197.13239	7.7
199.06000	3.3
199.07578	2.7
199.14885	4.3
201.12730	3.8
201.16394	3.6
203.10612	3.4
203.14221	5.5
205.24509	2.6
207.01787	3.6
207.10052	3.9
209.11581	3.1
211.15024	2.9
213.05402	2.5
213.16310	3.7
215.14130	3.6
215.17955	4.6
217.08565	3.5
227.10670	2.7
229.19554	4.9
239.09149	4.5
239.17973	11.9
257.18991	30.5
275.17242	3.1
275.20087	37.4
283.15356	3.0
299.20187	3.6
303.22781	2.5
305.17538	2.8
310.04672	2.5
325.07013	6.5
329.21008	3.1
331.09509	7.2
331.22598	7.2
337.07120	4.6
349.10611	13.3
349.23700	89.6
353.13742	3.1
361.23410	3.6
365.20963	4.6
371.22308	3.6
373.23419	4.3
377.22897	3.4
379.11542	2.5
383.22040	2.3
391.24527	4.1
401.23035	5.2
413.30154	6.2
419.24219	3.9
431.31454	3.1
451.07687	13.1
457.29605	7.1
475.17331	2.7
475.31158	10.8
493.18347	10.7
493.28110	10.9
494.19003	2.7
511.15756	12.0
511.19577	16.3
511.29346	24.1
516.71576	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	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85318	1.6
53.03943	7.1
55.01865	6.9
55.05506	19.3
56.96582	2.3
57.03434	23.6
61.02923	23.3
64.51093	2.1
65.03934	5.6
67.05499	46.8
68.13930	1.6
69.03422	23.5
69.07067	18.9
69.31428	1.4
71.01371	2.0
71.04973	9.6
71.63005	3.1
72.08138	4.1
73.02901	9.5
79.05484	50.2
81.03416	22.3
81.07051	56.9
83.04977	10.4
83.08605	10.3
85.02899	33.4
85.06531	9.0
87.04467	3.0
89.06035	2.4
91.03960	13.6
91.05473	64.8
93.07037	57.2
95.04972	13.2
95.08601	43.0
97.02882	30.0
97.05949	1.6
97.06501	9.5
97.10175	2.4
98.97601	3.1
99.04443	10.3
99.08093	3.1
101.02380	5.2
101.06041	1.7
103.03917	4.9
103.05441	3.3
105.07020	66.9
107.04922	8.2
107.08588	33.6
109.02866	8.1
109.06499	10.8
109.10152	20.4
111.04460	5.1
111.08075	5.5
111.54231	1.7
115.05421	3.6
117.07003	32.3
117.07740	3.1
119.04959	2.2
119.08569	57.7
121.06505	6.6
121.10133	20.9
123.04407	2.3
123.08050	6.3
123.11694	7.2
125.05986	2.7
125.09637	6.0
127.03925	19.1
128.06223	5.6
128.98639	2.1
129.05496	4.3
129.06989	18.5
130.07811	3.2
131.04993	1.6
131.08563	42.6
131.09502	2.9
133.06531	2.8
133.10124	34.2
135.08051	8.9
135.11696	14.1
137.05977	7.3
137.09647	5.3
137.13255	3.2
139.03912	2.6
139.07510	2.7
141.06992	7.2
142.07852	3.4
143.08542	20.6
144.09276	2.0
145.04944	4.8
145.06439	2.3
145.10110	45.8
146.99681	2.2
147.04424	5.7
147.08044	5.1
147.11676	27.9
149.05977	3.7
149.09624	11.4
149.13263	7.1
151.03960	2.1
151.11163	2.8
153.05473	6.3
155.07358	1.8
155.08493	9.7
157.10120	23.3
159.08057	3.7
159.11679	44.2
161.09584	6.6
161.13231	12.9
163.11172	8.3
165.05498	3.7
165.09113	2.3
165.12685	3.0
167.07054	7.9
168.09360	2.1
169.10144	11.4
171.11694	16.6
173.09671	3.2
173.13246	20.0
175.11195	5.7
175.14819	5.7
177.09102	2.2
177.12723	4.2
179.10692	2.2
181.10043	2.6
183.06551	3.0
183.08011	2.6
183.11681	11.2
185.13217	15.9
187.07585	2.5
187.11156	5.6
187.14830	3.8
189.00766	4.6
189.09068	3.4
189.12741	4.0
189.16420	2.6
191.10643	2.3
191.14307	3.0
193.12263	2.1
195.11671	3.1
197.04477	2.5
197.13266	10.2
199.05995	2.0
199.11259	2.4
199.14880	4.8
201.12750	4.1
201.16309	3.2
203.14229	8.1
205.15805	2.2
211.14838	4.6
213.05460	5.4
213.16353	2.3
215.09138	2.8
215.14299	2.8
217.08591	4.4
217.15942	2.1
219.17377	5.1
221.15300	3.2
229.15974	3.1
229.19536	8.0
237.02892	2.2
239.17931	18.8
255.17380	2.2
257.18997	42.7
259.16949	2.8
259.20609	2.8
269.15628	2.2
269.18872	2.2
275.20035	35.0
281.18842	2.4
299.20087	2.9
321.20624	2.0
325.07062	3.3
331.22684	13.7
346.08521	3.0
349.10721	2.0
349.23697	100.0
350.23914	2.3
361.10687	2.8
361.23975	2.5
364.09229	3.1
365.21158	2.4
373.23840	5.4
379.11728	27.7
380.12152	2.8
383.22092	2.8
391.24670	4.9
419.23868	2.6
445.13004	3.3
451.07605	8.6
457.13046	4.1
457.24591	2.2
457.30005	3.0
458.13162	2.3
463.14014	6.9
471.18219	2.1
475.13763	4.8
475.25983	2.1
475.30817	5.6
481.08612	2.5
493.14725	4.9
493.28314	7.2
511.16028	7.1
511.28986	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	511.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01854	0.9
55.05508	2.7
55.56774	0.3
56.96539	1.2
57.03400	1.3
57.07059	0.4
59.31070	0.3
61.02895	1.6
65.03912	0.6
67.05492	4.4
69.03425	2.3
69.07047	2.5
69.24266	0.4
69.88531	2.4
72.91535	0.4
73.02879	0.7
79.05484	3.0
81.03410	2.0
81.07049	6.4
83.04952	0.8
83.08589	1.5
85.02900	2.9
85.06477	0.7
87.71356	0.4
91.05470	3.9
93.07035	3.8
95.04929	1.6
95.08596	5.9
97.02865	1.9
97.06475	0.6
97.10130	1.4
98.20811	0.5
98.97540	1.6
99.04420	0.6
105.07036	3.3
107.04924	1.5
107.08578	4.4
109.02850	0.8
109.06461	1.1
109.10146	3.1
111.04410	0.5
111.08089	0.5
112.38997	0.4
115.05462	0.6
116.98610	1.1
117.06976	2.6
119.04943	1.0
119.08582	2.8
121.02837	1.8
121.06464	0.6
121.10131	2.2
123.11739	1.9
125.05989	0.6
125.09589	1.2
125.64622	0.3
127.03885	1.4
128.98582	0.7
129.06970	1.8
131.04857	0.7
131.08542	1.7
133.02853	0.4
133.06435	0.5
133.10094	1.6
135.07974	1.1
135.11661	1.8
137.05934	0.5
137.13248	1.4
143.00162	1.0
143.08551	0.4
145.02751	0.4
145.06474	0.6
145.10092	1.7
147.04417	0.5
147.11678	1.9
149.09575	1.0
149.13208	0.7
153.01801	1.7
153.05412	0.5
153.06946	0.6
157.06425	0.9
157.10094	0.9
158.99547	0.5
159.04431	0.4
159.08084	0.4
159.11691	1.8
161.01202	1.7
161.09546	0.5
161.13208	1.1
163.11127	0.7
165.09117	0.4
167.03291	0.5
167.07036	0.9
169.06459	0.7
170.99557	0.9
171.04347	0.5
173.13216	1.2
175.11159	0.8
177.00609	1.0
177.16386	1.4
179.03357	0.5
181.06454	0.8
183.11696	0.5
185.01196	0.5
185.05963	1.9
187.14864	0.5
189.00606	0.9
189.05493	2.2
189.11209	1.1
191.17906	0.6
195.02916	0.9
195.07965	0.5
202.07603	0.7
203.02242	0.6
203.07030	1.2
203.08621	0.6
203.17966	0.8
205.10057	0.4
207.02945	0.8
213.05435	3.0
215.08620	0.8
219.08015	0.5
219.11707	0.5
227.12784	0.5
228.09305	0.4
229.10190	1.8
231.06210	0.8
231.08084	1.5
232.08800	4.8
233.09511	0.4
237.02724	0.8
242.07187	0.7
247.11243	1.8
257.09665	0.9
257.19000	0.7
260.08322	2.9
261.02832	0.7
261.08978	0.5
269.04410	0.7
274.09912	0.6
275.10617	4.7
275.19949	3.8
277.08472	0.5
279.03812	1.7
279.06592	0.4
285.09097	0.6
289.08469	0.5
289.21503	0.5
291.06665	0.7
295.05981	13.0
296.05927	0.5
301.21866	0.5
302.09119	0.4
303.10114	14.7
304.10590	0.5
305.08127	0.8
306.08859	0.8
307.05975	3.1
307.09634	2.6
313.08490	0.7
321.07657	0.8
321.11270	0.9
331.09622	60.0
332.09894	1.3
333.07587	2.4
333.10941	0.4
334.08289	3.5
339.08658	0.4
349.10672	71.3
349.23483	3.3
350.11020	1.8
361.10577	0.7
373.10699	0.6
379.11798	2.3
388.64893	0.4
391.11813	0.7
395.29407	0.4
425.09866	1.0
437.40991	0.4
439.36081	0.7
457.29666	0.5
475.30106	0.6
481.08563	6.2
482.08823	0.6
493.14023	0.5
493.31241	0.7
511.15948	100.0
512.16620	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	510.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
56.05030	1.0
57.03431	2.9
57.04972	0.7
57.07071	36.2
58.06578	0.9
59.04997	0.7
60.08157	9.8
61.02926	3.5
67.05499	11.0
69.03426	0.9
69.07064	6.8
71.07372	3.4
71.08626	30.2
74.39001	0.9
75.04468	1.6
76.13121	0.7
76.19354	0.7
79.05457	0.8
81.07052	15.0
83.08624	12.0
85.02894	3.0
85.09704	1.3
85.10177	14.4
85.10656	1.2
86.09697	30.8
86.34198	0.7
89.06031	1.0
91.03949	0.7
92.75490	0.7
93.07014	1.2
95.08604	23.2
97.02884	1.9
97.10154	4.8
98.98428	1.9
99.11745	1.0
103.07570	1.2
104.10738	58.6
109.10152	11.0
111.11703	1.3
121.10130	0.7
123.11697	4.3
125.00004	16.9
125.13280	0.9
137.13255	1.7
141.01700	0.8
173.02176	0.7
184.07327	55.1
221.22600	1.1
229.63124	0.9
239.23656	25.0
257.24768	2.9
258.11002	0.9
298.27322	1.0
313.27335	100.0
314.27765	1.7
327.28534	0.7
331.28397	16.1
344.08231	0.8
444.67950	0.7
475.32443	1.3
492.34512	4.4
510.35611	22.5
520.22351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.0
57.03444	3.9
57.07074	49.6
58.52612	1.5
61.02916	2.6
67.05503	13.7
69.03429	2.6
69.07059	12.8
70.79447	5.0
71.08627	40.3
74.44039	1.2
75.04476	3.3
76.94476	1.3
79.05512	1.3
80.24686	1.2
80.52213	1.2
81.07058	20.9
83.08612	14.1
85.02887	7.0
85.10188	21.5
86.09666	1.3
91.03960	1.4
95.08603	31.1
97.02885	4.8
97.10167	8.4
99.04489	1.5
99.11726	2.0
103.21680	1.5
107.08630	1.6
109.10162	16.1
111.11736	2.1
123.11708	8.0
127.03938	3.8
136.54578	1.4
137.13245	3.2
145.04945	2.9
167.33084	1.3
207.97963	1.4
239.23688	40.2
243.91527	1.3
257.24768	6.1
266.92642	1.5
298.27573	2.3
313.27368	100.0
314.27515	2.2
331.28391	22.7
383.27908	7.1
401.28998	19.9
404.79288	1.6
510.48050	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	510.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.34374	0.3
55.01860	0.6
55.05510	0.9
57.03425	0.5
58.23058	0.2
61.02920	0.5
67.05482	0.5
67.20391	0.2
69.03418	2.9
69.07040	0.7
69.86243	0.2
70.06579	0.3
70.26894	0.8
71.04982	0.4
72.08134	0.7
73.02906	0.4
79.05491	0.4
79.42971	0.2
81.03415	2.6
81.07045	0.7
84.08119	1.0
85.02900	3.8
85.06586	0.3
86.06039	0.5
86.09698	1.5
87.00817	1.2
87.04462	0.3
89.03904	1.9
91.05467	0.4
93.07024	0.4
95.08572	0.6
97.02882	2.0
97.06525	0.8
99.04439	0.8
103.63143	0.2
105.01855	1.5
105.07018	0.4
107.10506	0.3
109.02876	2.3
109.10138	0.4
110.02374	0.2
112.07599	1.0
115.03889	0.3
117.03365	8.9
119.04942	0.5
119.08580	0.5
121.06499	0.3
121.10106	0.3
127.03913	4.5
133.10115	0.4
135.04407	0.7
135.08063	0.3
136.07513	0.3
137.05981	0.6
145.02832	40.8
145.04874	1.3
146.03157	0.3
147.04387	1.1
149.05963	3.8
159.02858	1.0
160.05182	0.3
161.05911	0.5
162.03125	0.9
163.03865	1.0
167.07030	0.5
173.02444	0.3
177.05452	100.0
178.05876	1.1
180.10095	0.3
186.05455	1.1
189.05447	0.3
199.97160	0.3
200.09274	0.3
201.05571	0.4
213.03891	0.2
215.07039	0.3
218.10219	0.2
219.06438	0.5
231.04984	0.9
249.05875	0.3
259.09473	0.5
262.14355	79.6
263.14609	1.2
264.96823	0.2
304.15677	0.2
311.12601	0.2
325.06879	0.3
326.07281	0.5
348.18039	0.4
453.73239	0.2
474.29269	0.6
492.17365	0.3
493.16425	0.5
510.19873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52853	0.4
55.05513	1.1
57.03423	0.5
66.28811	0.3
67.05476	0.5
69.03423	1.9
69.07059	0.7
71.04990	1.0
71.62658	0.7
72.08132	0.9
73.02907	0.6
79.05499	0.5
81.03410	1.7
81.07030	1.1
83.04961	0.5
83.08562	0.4
84.08139	1.4
85.02901	3.1
85.06547	0.4
86.09705	1.2
87.00795	0.6
88.80243	0.3
89.03906	1.5
91.05467	1.0
93.07016	1.1
95.04958	0.6
95.08618	0.5
97.02888	1.4
97.06586	0.4
99.04469	0.7
105.01862	0.5
105.07000	0.8
107.08562	0.7
109.02863	1.5
109.06484	0.4
109.10175	0.7
112.07608	1.7
117.03372	8.3
119.04932	0.7
119.08575	0.6
123.04388	0.6
123.08096	0.4
123.11723	0.5
125.05994	0.5
127.03934	2.4
129.01825	0.3
131.04980	0.3
133.10075	0.5
134.03650	0.4
135.04424	0.9
137.05966	0.7
141.09129	0.4
145.02837	39.4
145.04909	1.2
145.10027	0.4
146.55580	0.3
147.04407	0.9
149.05975	4.3
149.09599	0.4
149.13234	0.4
153.01804	0.4
153.05370	0.4
159.02913	0.7
161.05894	0.4
163.03889	1.0
163.07480	0.4
167.06992	0.6
177.05460	100.0
178.05856	0.7
178.43091	0.3
186.05501	0.7
187.06033	0.4
195.06488	0.7
219.06522	0.4
259.09665	0.4
260.89462	0.5
262.14368	72.0
263.14661	1.3
285.11224	0.4
305.48898	0.4
316.12915	0.5
422.69373	0.4
424.19574	1.2
441.16809	0.4
466.20587	0.5
474.28989	0.7
492.30469	0.5
510.19733	10.9
510.31033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.9
57.07063	10.2
63.60242	2.2
67.05499	21.0
69.07069	23.1
69.71099	16.0
71.08622	2.5
79.05489	8.0
79.61396	2.0
81.07048	40.2
83.08609	15.0
85.02898	2.8
85.06547	2.5
86.09689	5.1
91.05465	3.4
93.07030	13.5
94.19766	2.1
95.08611	36.0
97.06527	3.9
97.10181	10.4
98.20770	4.2
98.98473	2.5
102.09151	2.8
105.07014	5.2
107.08572	7.7
109.10143	20.8
111.11720	2.7
116.20865	2.5
119.08575	3.0
121.10139	10.2
123.08051	3.8
123.11687	10.7
131.08531	2.5
135.11670	7.3
137.05988	7.2
137.13228	7.1
139.07550	3.8
141.05466	10.9
145.10062	3.4
147.07877	2.9
149.06036	3.8
149.13254	5.7
151.07536	13.3
159.11746	3.1
161.05966	2.6
163.14799	3.0
165.05559	6.0
165.09102	3.1
167.07036	100.0
177.09116	4.8
179.06935	3.4
184.07346	6.3
185.04926	2.4
189.09151	3.2
191.07024	5.8
193.08572	5.6
205.08574	14.0
207.10170	8.4
219.10201	5.6
219.21126	6.5
221.11774	2.6
233.11652	4.1
237.22093	13.8
242.44556	2.4
243.89388	2.5
247.13434	3.0
311.25842	10.4
329.26834	4.9
337.27283	11.6
345.24014	3.6
352.59433	2.4
384.53491	2.5
394.90833	2.4
409.31006	3.3
427.32059	14.9
445.33145	27.6
463.34158	46.0
483.72693	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	508.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.05495	0.2
58.06591	0.2
65.03924	0.4
67.05479	0.4
69.03420	0.2
69.07052	0.3
70.06578	0.3
71.04977	0.1
72.08139	0.5
73.33455	0.1
79.05473	0.1
83.04973	0.3
84.08118	0.4
85.02890	0.4
86.06017	0.1
86.09734	0.2
91.05454	0.3
92.04975	0.3
93.05747	0.2
93.07036	0.1
94.06555	3.1
95.04959	2.8
95.08586	0.2
96.04452	0.2
97.02870	0.4
99.04440	0.2
101.05990	0.5
103.05521	0.1
105.07025	0.2
107.08581	0.2
109.02873	0.1
109.06473	0.1
110.02380	0.1
110.06036	2.2
119.04954	0.2
119.08536	0.1
120.08094	0.1
121.10123	0.2
122.06045	0.2
128.10680	0.2
133.10204	0.1
137.06036	0.1
138.05484	100.0
139.05811	0.8
145.04919	0.1
146.11728	0.3
147.04364	0.9
147.43611	0.1
154.04913	0.1
202.14697	0.1
207.13847	0.1
241.08548	0.2
260.09946	0.1
260.14957	0.5
313.16962	0.1
350.42465	0.1
371.14783	0.1
376.58005	0.1
422.20184	0.3
445.09396	0.1
468.30072	0.1
508.25385	44.9
509.10376	0.1
509.25742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.4
61.02906	0.3
67.05497	0.5
69.03419	2.2
69.60334	1.8
70.06567	0.4
72.08113	0.3
73.02909	0.7
78.03435	1.2
80.05020	0.3
81.03400	0.8
81.07027	0.5
83.04981	0.6
85.02898	1.2
86.09732	0.2
87.04478	0.5
91.05476	5.1
93.07050	0.3
94.17511	0.2
95.08599	0.7
96.04481	0.8
97.02882	100.0
98.03208	1.1
98.20784	0.3
106.02908	7.9
107.08565	0.5
107.26352	0.2
109.02860	0.5
109.10157	0.4
111.04408	0.3
124.03942	9.9
125.04259	0.3
127.03960	0.8
128.23659	0.3
130.73592	0.3
133.04971	0.3
135.11633	0.3
139.03874	0.3
143.99474	0.3
145.05013	0.3
147.04396	0.6
154.06265	0.4
155.06479	0.3
163.03926	0.3
163.07510	0.4
195.10188	1.0
195.67087	0.3
196.06036	0.7
196.10484	0.7
220.06027	26.5
238.07068	5.2
240.33461	0.3
254.06569	2.2
256.08191	0.8
279.98788	0.3
283.05511	0.3
292.26999	0.5
298.07751	0.3
327.08517	0.5
328.08951	1.4
357.10730	0.2
400.12347	13.2
490.14587	0.9
508.18027	0.8
515.37482	0.3
531.06946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
53.33933	0.7
54.33409	0.8
55.01856	0.7
55.05492	0.7
57.08443	0.6
58.91084	0.6
61.33404	0.7
65.03923	2.5
65.84447	0.6
67.05486	1.9
69.03424	3.6
70.06581	2.9
70.97650	2.2
71.04985	1.0
72.08161	6.4
73.02895	0.8
79.05489	6.0
79.24869	0.6
80.04996	0.9
80.81776	0.6
81.03423	4.1
81.05775	2.4
81.07052	1.4
82.06561	0.9
83.04962	1.6
84.08129	2.1
85.02897	4.6
86.09673	0.8
86.23120	0.6
89.03895	5.8
91.05456	1.5
92.05012	5.8
93.07036	0.9
94.06561	1.7
95.04958	3.8
95.08629	0.6
96.04513	0.9
96.08126	6.6
97.02872	2.6
98.06020	0.8
99.04450	0.9
103.05487	0.8
105.07000	1.1
106.06546	44.3
107.04945	1.5
107.08605	0.8
108.08112	10.7
109.02861	2.5
109.05257	1.5
109.06520	0.6
110.06027	2.8
116.07031	0.7
117.03383	14.7
118.83199	0.7
119.04948	1.6
119.08613	1.6
121.10103	1.5
122.05993	1.1
123.06820	7.0
123.08091	0.7
124.07581	28.0
129.10309	0.7
130.98988	0.6
133.10075	1.1
134.06006	25.1
135.04422	1.1
135.08032	0.9
136.07532	2.9
137.05984	1.5
138.05489	35.4
140.06950	0.7
145.02832	50.3
147.04398	7.8
147.68488	0.7
148.07545	1.0
149.02267	0.8
149.05957	5.5
151.03894	1.8
152.07053	72.4
163.03894	0.9
164.63950	0.7
169.09567	0.7
170.08113	53.4
177.05455	100.0
178.05910	1.2
186.05463	2.3
195.06415	0.8
204.06522	1.1
207.13727	1.0
218.11742	1.4
222.09125	0.9
225.14899	1.3
243.15918	0.9
250.08693	1.1
267.08923	1.8
282.11182	2.3
295.08609	1.1
310.10715	3.1
314.12320	2.6
321.09741	3.9
328.11884	1.5
332.13373	8.9
339.10864	3.8
346.12869	0.9
490.09955	1.4
490.17050	23.8
508.17969	58.4
508.25290	12.8
509.18182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3681
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03947	3.5
53.62179	2.0
54.82766	1.8
55.01869	3.1
55.05511	31.7
57.03434	7.9
57.07072	7.9
59.05017	2.6
65.03932	4.5
67.05503	100.0
69.07057	18.8
69.36011	24.1
71.04999	6.7
71.08621	3.0
73.94232	1.8
74.13303	2.0
79.05486	29.0
81.03410	4.8
81.07053	68.5
83.04974	3.0
83.08623	17.8
85.06543	3.6
85.10194	2.0
91.05485	21.5
93.07037	38.2
95.04980	6.3
95.08601	54.4
97.06523	4.9
97.10162	19.3
98.99133	1.7
99.08074	3.5
105.07042	23.5
107.08595	30.0
109.06505	2.2
109.10149	71.0
111.08067	5.7
111.11774	2.8
117.07027	8.6
119.08569	26.0
121.10133	21.5
123.08029	2.4
123.11686	11.5
125.09637	17.0
131.08548	14.5
133.10110	15.7
135.11674	15.0
137.09630	4.3
137.13271	3.8
143.08595	3.1
145.10098	15.4
147.11713	11.8
149.13274	13.6
155.10719	2.3
157.10143	3.6
159.11691	11.5
161.13268	7.1
163.14841	5.7
171.11708	4.9
173.11757	18.4
173.13327	6.1
175.14804	3.7
185.13298	2.5
187.14856	4.1
189.11241	7.5
194.12485	2.4
195.13864	2.7
197.13208	3.2
209.11508	6.8
227.12755	14.6
229.10738	2.0
229.14348	46.4
229.16505	2.8
231.15750	2.5
240.08519	2.2
243.20935	4.6
249.14594	4.0
259.20596	4.0
261.22156	27.1
279.23242	3.7
317.24796	4.1
333.24341	2.1
335.25797	32.5
379.29871	6.3
397.30872	10.2
403.27887	2.9
415.32086	9.3
419.59259	2.4
433.33142	9.9
435.31427	2.4
471.34552	8.7
489.35791	76.5
507.37109	44.8
527.33020	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	507.3678
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03931	3.7
55.05509	22.6
57.03431	8.3
57.07066	8.6
59.04994	2.2
67.05499	100.0
69.03408	3.0
69.07059	17.7
69.33768	9.3
69.34198	11.7
71.05010	3.4
71.08626	5.3
79.05490	28.4
81.03423	4.1
81.07048	66.5
82.03767	1.8
83.08618	15.5
85.10200	2.4
91.05479	18.9
93.07028	36.7
95.04944	4.5
95.08596	43.7
97.06503	4.0
97.10157	13.2
105.07019	19.8
107.08582	24.8
109.10148	62.7
111.08083	2.3
117.07011	7.3
119.08553	19.4
121.10120	18.7
121.10815	2.1
123.11704	9.5
125.09631	7.6
129.06941	2.3
131.08522	14.2
133.10095	12.9
135.11707	11.1
137.09593	3.2
137.13290	2.7
139.11171	2.7
143.08553	3.0
145.10118	9.6
147.11667	10.9
149.13246	9.1
157.10081	3.4
159.11670	9.7
161.13322	5.2
163.14864	4.3
169.10190	2.2
173.11723	20.8
173.13251	7.9
183.11598	3.2
187.14799	3.2
187.91231	1.9
189.11247	7.7
201.16385	3.1
209.09396	1.9
209.11485	6.3
216.01398	2.2
227.12723	13.9
229.14319	38.0
231.15932	2.8
243.21126	4.8
249.14500	2.6
259.20572	4.0
261.22122	24.4
263.23782	3.0
293.76379	1.9
297.94659	1.8
310.15051	1.8
312.29257	2.6
317.24619	5.3
333.24283	2.1
335.25723	29.1
379.29755	3.4
397.31256	4.5
415.31943	9.0
433.32947	7.7
449.32605	3.8
471.34448	6.7
480.24948	2.4
489.35675	65.4
507.36246	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01860	2.4
55.05511	14.3
56.05045	2.0
57.03432	3.9
57.07061	7.2
61.02914	2.9
63.79372	1.5
64.19662	1.4
67.05163	2.9
67.05498	34.0
69.03416	7.2
69.07065	31.1
69.62612	12.2
70.06583	3.9
71.04979	3.5
71.08627	2.4
72.08146	7.3
72.61466	1.5
73.02905	2.3
76.56647	1.5
79.05481	16.5
79.99598	1.7
81.03402	5.8
81.07051	100.0
83.04957	1.5
83.08605	16.6
85.02901	21.7
85.06531	18.8
85.07637	2.1
86.00665	2.8
86.09698	4.1
91.05446	10.3
93.07039	35.3
95.04945	5.3
95.08600	94.7
96.57895	1.5
97.02895	15.9
97.06499	3.2
97.10155	9.6
97.90258	1.9
98.06030	1.8
99.04453	1.6
99.08089	15.5
105.07017	12.3
107.04939	2.9
107.08585	39.4
109.02876	3.2
109.06516	3.2
109.10144	73.2
110.10522	1.5
111.08071	5.8
111.11727	9.1
112.70626	1.5
113.09631	5.0
115.12854	1.5
117.07022	2.3
119.04935	2.2
119.08570	10.6
121.10136	31.7
123.08067	3.5
123.11701	33.8
125.09624	5.4
125.13250	1.7
127.03900	22.3
127.11240	4.2
128.04222	6.4
133.10138	10.1
135.07941	1.9
135.11678	25.6
137.05942	4.4
137.13229	13.3
139.11171	6.0
145.04967	2.4
145.10141	2.2
147.04375	7.4
147.11671	7.3
149.09627	1.9
149.13243	33.6
151.14804	9.0
153.12758	3.6
157.10130	1.8
161.05949	2.6
161.13306	4.3
163.14803	21.3
165.16351	4.5
167.07040	6.3
167.14276	5.0
175.14836	4.2
177.16376	11.2
179.18028	2.4
181.04988	1.7
181.15800	1.8
187.24181	1.7
189.16299	4.7
191.17940	6.6
195.17465	3.5
203.07014	2.0
203.17958	6.6
205.19498	3.0
209.19025	1.9
216.08548	2.0
217.19534	7.3
221.19087	1.9
235.20547	3.0
247.24269	5.0
261.25772	6.9
270.15454	1.8
273.25787	21.3
279.26834	6.8
291.26807	51.4
293.60120	1.6
306.41864	1.5
309.27887	30.7
312.06293	3.4
327.08594	12.5
327.28918	7.2
343.52304	1.8
345.09497	9.2
417.30188	2.3
447.21774	1.8
488.94165	2.0
489.29333	2.1
507.23267	6.5
507.30338	3.9
508.23874	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	507.2949
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03935	1.4
55.01867	1.2
55.05257	0.9
55.05508	13.0
57.07056	0.6
58.45513	0.6
59.54781	0.5
61.02913	0.7
65.03941	0.7
67.05501	8.9
69.03426	4.4
69.07064	11.4
70.06570	1.5
71.04981	1.6
71.62721	0.8
72.08125	0.7
79.05484	4.2
81.03401	1.8
81.07047	11.7
82.06585	0.6
83.04974	2.4
83.08606	3.2
84.08129	0.9
85.02889	3.7
85.06540	2.2
86.09688	2.1
91.05474	6.4
93.07033	9.2
95.01295	0.8
95.04984	3.2
95.08595	8.4
97.02876	2.5
97.06528	2.7
97.10161	13.9
99.00790	4.3
99.04428	3.1
100.07600	1.4
100.11240	2.3
105.07017	6.8
107.04932	0.9
107.08582	6.7
109.02889	2.0
109.06525	2.3
109.10148	12.8
111.04441	2.6
111.08084	1.6
111.11732	1.0
112.07597	0.9
113.02327	1.3
115.05448	0.6
117.01878	1.1
117.07001	1.8
119.04932	1.5
119.08587	5.5
121.02922	0.7
121.06516	1.5
121.10143	5.4
123.04408	0.8
123.08083	2.9
123.11705	3.2
125.05967	1.8
125.09615	3.2
127.03889	6.6
127.11231	0.8
128.07100	1.0
129.06987	0.9
131.08577	2.8
133.06459	0.6
133.10103	3.4
135.04439	1.3
135.08044	1.7
135.11673	3.5
137.05988	3.4
137.09644	2.3
139.07520	1.5
139.11182	1.5
141.05434	0.9
143.08589	1.4
145.10077	3.3
147.04361	3.7
147.11667	2.1
149.02330	1.5
149.05959	1.4
149.09567	1.5
149.13251	1.3
151.07533	3.3
153.05475	2.7
155.07045	1.6
157.10139	2.1
159.08067	1.0
159.11699	2.4
161.05951	2.5
161.09628	1.2
161.13229	0.7
163.03909	1.7
163.07518	2.8
163.11179	1.1
163.14838	0.8
165.09097	1.7
167.07083	2.9
168.13811	6.3
171.08069	0.7
171.11768	0.9
173.09679	0.9
173.13274	1.3
175.07567	2.9
175.11148	1.3
175.14890	0.9
177.05434	2.2
177.09157	1.3
179.10689	1.4
181.04948	7.9
181.08672	0.7
182.15419	2.0
183.06494	4.1
187.11270	0.9
187.14919	0.9
189.09105	5.4
189.12720	0.8
191.07034	1.4
191.10640	1.0
193.08589	1.1
195.06529	19.4
196.13315	4.4
197.13333	0.8
199.11118	0.8
199.14758	0.9
203.10640	1.7
205.08612	1.1
207.06517	2.4
209.08086	9.4
210.14906	2.2
213.09291	0.6
217.08650	1.1
219.10109	0.6
221.08156	4.6
223.09628	10.4
231.13725	1.1
235.09604	2.8
237.11201	5.6
239.09142	1.0
241.08708	0.8
245.11749	0.9
249.11148	4.3
251.12781	1.6
259.09576	0.8
259.16934	0.8
263.12869	1.1
289.14569	1.2
291.15845	4.2
295.23969	0.8
303.16003	1.3
305.17429	8.2
307.18964	2.1
312.26477	2.7
315.15891	2.7
315.19427	0.7
317.17462	0.9
319.18912	4.0
327.08551	2.3
333.17014	2.3
345.09641	2.4
422.30096	2.7
425.26688	0.9
427.28415	1.1
443.28027	1.0
453.26382	1.6
471.27448	3.2
489.28510	16.7
489.35486	1.3
507.29498	100.0
507.38641	7.1
508.29745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2951
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03932	1.5
55.01857	1.3
55.05261	0.8
55.05509	11.7
57.03430	0.9
57.07080	1.2
65.03931	0.9
67.05496	8.9
69.03426	3.8
69.07062	13.0
69.69810	5.1
70.06580	1.9
71.04983	1.3
72.08124	1.0
79.05482	4.6
81.03423	2.4
81.07050	12.3
82.87317	0.7
83.01330	1.0
83.04976	2.9
83.08620	3.4
84.08121	0.9
85.02895	2.3
85.06522	1.4
86.09697	2.2
87.10655	0.7
91.05461	4.9
93.07034	8.4
95.01322	0.7
95.04964	2.8
95.08599	9.6
97.02910	1.5
97.06512	1.8
97.10166	14.3
99.00797	3.1
99.04463	3.9
99.08122	0.8
100.07626	0.7
100.11235	3.1
105.07012	5.8
107.08584	7.7
109.02866	1.6
109.06509	3.1
109.10154	12.7
111.04416	1.9
111.08051	1.6
111.11723	0.8
112.07594	1.6
115.05413	0.9
117.01858	1.2
117.07014	1.0
118.87222	0.7
119.04986	0.9
119.08581	4.8
121.06512	1.2
121.10120	5.1
123.04463	0.9
123.08024	1.8
123.11691	2.8
125.05994	2.2
125.09620	2.6
127.03911	5.3
128.07050	0.8
131.08566	1.9
133.10152	3.5
135.08032	1.7
135.11694	2.3
137.05983	3.7
137.09634	2.8
139.07564	1.2
139.11171	2.6
140.06990	1.0
143.08585	1.1
143.10652	1.1
145.06477	1.0
145.10120	2.4
147.04382	3.5
147.08087	0.7
147.11678	2.5
149.02328	2.1
149.05956	1.6
149.09645	1.4
149.13274	1.3
151.03934	1.5
151.07527	2.8
151.11200	1.2
153.05469	2.3
153.09082	0.9
155.07082	1.4
157.10097	1.7
159.11720	1.6
161.05962	3.1
161.09631	1.1
163.03906	2.0
163.07559	1.7
163.11208	0.9
165.09093	2.5
167.07036	2.9
167.10678	0.7
168.12608	0.7
168.13785	4.3
169.04958	1.1
169.10074	1.3
171.11685	1.1
173.13289	1.1
175.07561	2.4
175.11215	0.7
175.14877	1.1
177.05457	1.8
177.09106	1.5
177.16440	0.8
179.10640	1.6
181.04945	7.9
182.15404	1.8
183.06554	4.0
185.09639	0.8
185.13300	1.0
187.14674	0.8
189.09105	5.0
189.12764	0.8
191.07043	1.4
191.10732	1.0
193.12257	0.9
195.06520	19.4
195.08223	1.5
196.13281	4.4
199.06065	1.0
199.07773	0.8
203.10704	2.0
205.08606	1.4
205.12119	1.0
205.34103	0.7
207.06500	2.6
209.08084	10.0
210.14876	2.2
213.16426	0.9
215.10696	0.7
217.08611	1.1
217.12277	0.7
218.56134	0.7
221.08084	5.7
223.09624	9.8
235.09666	3.6
237.11179	7.0
243.10164	0.7
243.13864	1.3
245.15450	1.0
249.11145	4.0
251.12813	1.1
263.12808	2.0
273.11371	0.8
289.14316	1.7
291.15875	4.5
295.06348	1.0
295.23843	1.0
303.15927	1.6
305.17459	8.8
307.15616	0.7
307.19083	1.7
312.26450	2.2
315.15857	2.6
319.18970	3.1
323.18561	0.8
327.08578	1.7
333.16968	4.4
345.09509	1.3
357.70630	0.8
399.64767	0.8
422.30090	3.1
427.27905	1.0
443.27988	0.9
471.27396	3.2
489.28525	18.7
507.29507	100.0
507.38681	7.9
508.29764	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	507.2719
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.05502	8.0
57.03436	7.2
64.65537	1.6
65.03931	1.3
67.05499	28.0
69.07056	9.2
70.42961	3.2
70.43355	4.0
79.05494	17.2
81.07049	28.7
83.04949	1.4
83.08613	4.1
91.05475	9.0
93.07044	19.8
95.04962	2.5
95.08601	22.0
96.72689	1.1
97.86169	1.5
98.98456	26.8
105.07014	7.7
107.08601	12.0
109.10152	11.1
117.07021	3.1
119.08588	5.3
121.10143	7.7
123.11697	3.8
131.08578	2.4
133.10127	4.7
135.11682	6.3
143.08575	1.7
145.10121	2.2
147.11708	2.7
149.13203	1.8
155.00977	2.9
159.11699	2.4
161.13202	2.4
170.23477	1.8
172.93512	1.4
173.02129	4.6
173.13264	2.6
243.21049	1.9
261.22079	5.1
293.14786	1.3
295.06033	3.3
303.10410	2.5
311.05423	3.4
331.09653	6.8
335.25781	100.0
349.10690	15.0
471.21832	5.1
507.20502	2.0
507.31110	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	507.1499
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
51.36588	0.2
53.03903	0.7
53.97206	0.2
55.01828	0.8
57.03431	1.9
59.04977	0.3
61.02919	2.2
67.05483	0.3
69.03424	9.4
69.07004	0.3
70.06549	0.4
71.01302	0.4
71.04945	0.9
72.08107	0.4
73.02909	1.6
73.45401	0.2
81.03405	3.6
81.07023	0.4
85.02897	19.2
86.09659	0.4
86.87299	0.3
87.04469	1.6
91.03902	0.9
91.05420	0.6
92.99712	0.3
93.06983	0.3
97.02883	5.8
99.04451	1.5
103.03848	0.2
108.02053	0.3
109.02868	2.8
117.47003	0.3
119.04864	0.3
127.03912	4.5
134.03601	0.6
137.02306	2.5
145.04935	2.0
147.04379	0.6
149.05904	0.4
150.03061	0.8
165.01820	1.4
165.05458	0.3
175.03813	0.3
175.11235	0.3
177.01810	0.4
178.02542	1.1
179.03357	3.7
183.07997	0.4
195.02811	0.8
196.03642	2.9
206.04262	0.2
211.07523	0.5
227.06978	1.2
228.07799	0.6
239.07040	1.7
241.04642	0.4
255.06480	5.3
256.07306	2.4
259.05838	0.4
266.05762	0.3
267.06482	3.7
271.09653	1.2
279.06595	0.3
281.86188	0.3
283.05933	1.0
284.06845	1.1
293.04459	0.5
294.05273	0.7
295.05991	6.7
297.07443	0.6
299.09100	0.6
303.04919	0.3
309.07443	1.6
311.05466	12.5
312.06235	25.0
325.07104	0.7
327.08591	95.3
328.08884	1.1
345.09650	100.0
346.10040	1.4
369.09705	1.0
387.10791	0.4
420.64343	0.3
448.61746	0.3
507.23169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1497
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
55.01837	0.3
57.03386	0.8
61.02874	1.0
61.17205	0.2
66.84090	0.2
69.03423	3.3
69.90547	1.3
72.08107	0.3
73.02889	0.3
81.03362	1.0
84.49065	0.2
85.02896	7.1
87.04404	0.3
91.03914	0.4
97.02879	2.4
99.04436	0.4
109.02832	1.0
121.02785	0.3
127.03915	1.7
134.03583	0.6
137.02301	2.7
145.04935	1.3
147.04324	0.8
148.63892	0.2
149.02328	0.4
150.03123	1.1
151.03871	0.2
152.51031	0.2
155.08495	0.3
165.01830	1.7
175.03839	0.4
177.01717	0.4
178.02571	1.5
179.03375	3.1
183.08023	0.5
195.02882	0.7
196.03650	2.7
199.03954	0.3
211.07504	0.5
227.07002	1.2
228.07706	0.6
239.07027	1.8
241.04774	0.4
252.03755	0.3
255.06496	5.3
256.07227	2.3
259.06216	0.3
266.05914	0.3
267.06509	4.2
271.09677	0.8
283.05972	0.6
284.06766	1.2
292.53662	0.2
293.04453	0.3
294.05212	0.6
295.05984	6.6
299.09161	0.4
309.07535	0.5
311.01819	0.4
311.05457	10.1
312.06238	25.7
313.06732	0.4
327.08585	100.0
328.08820	1.1
345.09647	80.3
346.09946	0.9
507.14951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01863	2.3
55.05495	5.6
57.03426	11.3
57.07061	1.6
59.04988	2.7
61.02901	3.3
67.05510	7.5
69.03071	2.2
69.03424	35.9
69.07066	6.0
70.06571	3.5
71.04987	2.5
71.59710	1.3
72.08163	6.3
73.02905	2.5
75.04470	2.4
75.45113	1.1
79.05473	5.1
81.03403	4.3
81.07053	12.6
82.07378	2.8
83.04984	2.0
83.08620	2.6
84.08141	1.7
85.02897	31.1
85.06551	2.0
86.09677	3.1
87.04465	21.0
91.05456	7.0
93.07040	8.0
94.07325	2.0
95.04952	5.4
95.08595	11.8
96.08920	2.6
97.02885	35.0
97.06501	2.8
99.04462	4.3
100.11208	1.3
101.02389	1.5
103.05462	6.1
105.07006	9.0
107.04954	10.4
107.08591	5.9
108.08942	1.5
109.02859	4.4
109.06490	5.0
109.10140	8.0
110.10481	1.7
115.03918	32.1
115.05410	1.6
119.03416	8.2
119.08551	5.5
121.06481	1.5
121.10130	7.1
123.04417	1.3
123.11732	3.4
123.67045	1.2
124.12035	1.5
125.09615	1.6
127.03895	12.8
128.04247	1.4
129.07027	1.6
131.04933	2.0
131.08536	3.4
133.04958	33.3
133.10103	8.5
135.08049	9.4
135.11674	3.7
137.05952	2.4
139.03906	4.4
139.11176	2.6
145.04941	4.4
145.10182	2.7
147.04413	8.4
147.11691	3.9
149.09583	1.6
149.13263	3.1
150.07664	6.2
151.03891	1.4
151.11163	2.5
153.09111	1.8
154.06235	34.1
159.11639	2.5
163.03893	3.0
163.07523	29.1
165.02660	1.2
166.08766	1.3
167.07034	4.6
167.10637	2.0
173.13258	7.0
175.07576	3.1
180.08688	4.3
181.04918	1.6
181.08522	1.9
187.07559	1.7
191.14330	5.0
193.04999	4.2
195.10158	100.0
205.08522	1.5
207.06485	1.5
207.10170	11.6
209.15294	6.8
211.05914	1.6
213.09055	2.8
217.08640	1.8
219.10077	3.1
227.16484	4.3
241.08652	1.6
243.10004	1.5
245.11687	3.1
259.09592	2.7
271.65170	1.4
273.11417	1.8
279.06494	2.5
290.25653	4.2
291.12271	4.5
296.26801	1.5
308.26715	2.0
309.13458	2.5
311.05481	4.3
312.05997	1.3
312.12961	2.8
327.08615	63.8
345.09610	20.9
489.13992	4.9
506.20389	1.3
506.29495	2.0
507.14981	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13089	1.0
53.03934	1.6
55.01855	3.3
55.05511	5.1
55.48155	1.0
56.42624	1.0
57.03434	9.7
57.07073	2.0
59.04978	2.4
60.04512	2.4
61.02915	2.8
62.10357	1.0
67.05483	4.5
69.03428	38.8
69.07061	5.2
69.71554	1.9
69.71966	5.7
70.02457	1.0
70.06555	3.3
70.07384	1.1
71.04984	2.9
72.08153	5.5
73.02897	3.5
75.04476	1.6
79.05488	5.0
80.05815	1.2
81.03415	6.9
81.07055	11.9
82.07397	2.4
83.04971	3.1
83.08607	2.1
84.08134	2.2
85.02901	34.3
85.06544	2.2
86.09695	4.1
86.13148	1.0
87.04466	24.2
91.05466	7.8
92.05864	1.0
93.07046	7.1
94.07374	1.5
95.04972	6.6
95.08606	8.2
95.35453	1.0
96.08907	3.0
97.02886	32.4
97.06522	3.2
99.04422	3.3
99.08067	1.2
100.11257	1.4
101.02352	3.4
103.05450	6.2
105.07024	8.5
106.07372	1.6
107.04954	10.2
107.08588	5.0
108.08902	1.0
109.02879	5.2
109.06484	2.6
109.10167	6.3
110.10468	2.3
111.04417	1.2
111.08083	2.1
115.03925	33.7
115.05431	2.9
119.03432	6.8
119.04990	1.3
119.08563	4.6
121.06531	1.9
121.10141	6.9
122.10508	1.4
123.11719	5.0
127.03902	11.6
131.04915	3.3
131.08556	3.3
133.04964	28.8
133.06462	1.6
133.10129	7.0
134.10391	1.0
135.08051	9.4
135.11655	3.7
136.11983	1.2
137.05966	2.8
139.03882	4.2
144.05667	1.1
145.04980	4.9
145.10088	1.9
147.04439	7.5
147.08119	2.4
147.11685	2.8
149.13264	3.3
150.07603	6.6
150.13609	1.3
151.03929	1.5
151.11189	2.0
153.09119	1.3
154.06242	43.3
159.11676	2.0
161.05954	1.7
161.13197	1.7
163.03925	1.7
163.07538	35.5
167.07033	5.4
167.10646	1.6
173.04504	1.1
173.05916	1.2
173.13234	3.2
175.07465	3.3
175.14886	3.9
180.08679	3.7
185.09572	1.3
187.07529	1.2
187.14818	1.3
191.14284	3.8
193.04953	4.3
193.15872	1.1
195.10164	100.0
207.10178	9.2
209.15381	4.0
213.09090	2.7
217.08556	1.2
219.10109	3.2
223.07535	1.3
227.16420	3.8
229.08482	1.3
241.08592	2.4
245.11761	3.4
261.11160	1.4
266.22034	1.0
272.24432	1.4
273.11087	3.9
277.08997	1.5
278.25400	1.1
279.06573	2.7
290.25571	2.3
291.12210	4.8
295.06268	1.5
308.26706	2.3
309.13251	1.6
311.05460	2.4
312.12759	2.7
326.27618	1.0
327.08615	43.6
345.09622	14.0
506.18939	1.1
506.28894	1.9
506.36823	1.2
507.15005	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	506.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77826	0.3
53.03938	0.5
55.01857	2.8
55.05495	0.6
57.03431	5.5
59.04983	0.6
59.65216	0.3
60.04525	0.7
61.02925	4.6
69.03426	10.8
69.54928	1.0
69.55353	2.0
70.06564	0.6
71.01331	1.5
72.08158	0.4
73.02913	31.8
79.05508	0.7
81.03419	1.9
82.70553	0.3
85.02899	21.7
85.75710	0.4
87.04453	1.3
90.10352	0.3
91.03907	1.1
91.05449	0.8
95.04945	0.5
96.04451	0.5
97.02882	19.7
99.04430	0.8
103.03939	1.1
103.05461	3.8
105.07017	1.7
107.04944	6.0
109.02884	1.9
110.70021	0.4
111.04434	0.5
115.03918	12.4
120.05721	0.4
121.06517	0.4
127.03910	8.4
130.27928	0.3
131.04918	1.2
132.06567	0.5
133.04956	12.9
135.08038	6.1
139.03853	1.8
144.06535	2.3
145.04950	10.4
145.06200	0.7
145.06461	0.5
147.04436	0.7
150.07634	1.1
153.06845	0.5
154.06241	23.8
156.06664	0.8
162.07584	1.4
163.06030	4.0
163.07509	23.9
167.07050	1.4
173.06010	0.9
175.49947	0.4
180.07718	1.4
180.08928	0.8
193.08618	0.6
194.11023	0.4
195.10155	100.0
196.10562	1.0
199.05991	0.4
204.08664	0.4
205.08556	0.7
213.09081	0.6
219.10129	0.7
223.05989	1.5
231.10185	0.6
241.06885	2.0
245.11722	1.5
259.08118	2.1
273.11212	2.3
276.10773	0.9
277.09171	0.5
286.55850	0.4
291.12231	1.3
294.11868	1.9
295.10306	0.4
309.16724	0.4
309.60028	0.4
312.12830	1.3
327.08621	0.7
351.08621	0.4
489.13922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.1
55.01874	23.9
55.05510	44.7
57.03437	6.2
65.03931	8.8
67.05499	76.2
69.03424	14.2
69.07059	51.4
69.33350	5.7
69.33748	41.0
71.04980	10.7
71.08604	3.4
72.08135	5.6
73.02916	9.9
79.05482	62.5
81.03396	10.7
81.06576	5.3
81.07050	100.0
83.04971	18.7
83.08600	26.3
85.02905	14.4
85.06528	10.1
91.05460	65.2
93.07027	73.6
95.04974	29.9
95.08593	74.3
95.09155	5.5
96.19663	3.9
97.02880	13.3
97.06516	32.1
97.10165	10.7
99.04460	5.3
99.08127	5.2
102.21535	3.6
105.07022	73.7
106.07366	4.9
107.04948	19.9
107.08586	57.2
108.08920	5.3
109.02872	10.5
109.06503	14.1
109.10128	30.6
110.88374	3.6
111.04409	5.9
111.08096	6.7
113.02438	3.9
115.05434	4.2
117.06997	28.1
119.08572	94.5
120.08908	24.9
121.06512	10.2
121.10141	33.9
123.04388	7.5
123.08070	15.8
123.11720	12.7
125.05990	6.9
125.09601	11.8
127.03915	22.2
128.06108	4.2
129.06995	19.8
131.08577	37.7
133.04976	5.6
133.06497	6.7
133.10126	42.9
135.08052	14.2
135.11705	19.9
137.06003	6.8
137.09628	15.0
141.06989	9.1
142.07790	5.7
143.08536	29.5
145.06485	6.4
145.10106	37.8
147.04399	6.1
147.08002	8.6
147.11655	28.7
149.05885	5.9
149.09599	13.4
149.13263	5.6
151.11150	3.9
153.09111	7.7
155.08563	11.7
157.10089	16.3
159.08038	6.3
159.11656	25.7
161.09630	7.7
161.13266	12.7
163.03813	4.7
163.07530	5.8
163.11166	10.8
165.12834	5.3
167.07068	3.9
167.08531	6.0
169.10074	12.5
171.11694	17.0
173.05922	4.0
173.09659	5.5
173.13251	18.5
175.07520	4.6
175.14758	21.9
176.15230	19.1
177.12752	7.6
181.10152	5.0
183.11694	11.4
185.09702	4.1
185.13332	11.4
187.07449	5.7
187.11252	7.4
187.14809	4.4
189.11169	4.5
189.12732	4.9
191.14291	5.4
197.13298	10.0
199.14806	13.7
201.12825	5.8
201.16505	6.2
209.13347	4.1
213.16508	5.0
221.15184	4.0
225.16537	4.5
229.15843	4.2
237.18584	5.6
257.15237	3.8
257.19080	7.9
275.20071	44.5
277.21780	5.4
284.23349	4.0
293.21143	8.3
301.21530	4.8
313.21686	4.9
315.23093	8.2
329.25009	5.0
339.23141	9.4
343.14633	5.7
353.24902	6.2
355.26691	4.4
357.24094	6.2
374.85361	3.8
375.25345	10.4
393.26193	6.0
423.32748	5.2
433.30978	14.1
451.32098	35.0
459.34412	5.7
469.26398	5.8
469.33066	48.5
487.34143	50.3
505.21722	6.1
505.29709	24.1
505.36084	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	505.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01850	5.3
55.05505	21.2
56.15526	1.2
57.03436	7.2
57.07063	9.7
58.06610	1.5
59.04977	5.2
61.02919	6.5
65.03917	2.1
65.06164	1.2
67.05499	36.8
68.05828	1.6
68.99776	3.4
69.03419	27.1
69.07060	38.4
69.98851	3.7
69.99259	4.2
70.03754	3.0
70.06582	2.5
71.04998	8.1
71.08622	1.9
72.08138	5.1
73.02904	2.4
79.05492	27.1
81.03419	14.1
81.07051	100.0
82.03741	1.4
82.07372	1.7
83.04954	5.7
83.08608	16.0
84.08131	2.7
85.02897	58.5
85.06533	28.3
86.03218	8.0
86.09708	2.6
87.03301	3.8
87.04459	3.8
91.03932	2.4
91.05473	23.7
92.05801	1.4
93.07036	50.2
95.04964	14.1
95.08598	92.9
96.05288	1.3
96.08900	2.2
97.02882	17.2
97.06516	7.6
97.10149	10.4
98.03241	2.4
98.21408	2.0
99.04436	4.3
99.08084	12.5
101.05952	1.4
101.07172	1.3
103.05462	2.4
105.07025	36.7
107.04929	4.7
107.08583	48.2
109.02884	11.5
109.06522	7.1
109.10148	52.6
110.03168	1.3
111.08060	7.4
111.11706	7.5
113.05957	1.7
113.09627	3.4
115.03859	1.6
117.03346	1.6
117.06987	4.7
119.04901	3.3
119.08571	31.6
121.02858	2.4
121.06472	4.0
121.10130	40.1
123.04418	63.8
123.08041	7.5
123.10812	2.2
123.11687	28.0
124.04745	22.5
125.04919	6.6
125.05966	2.1
125.09595	9.2
127.03896	15.4
127.11140	2.5
128.04242	3.7
128.06209	1.5
129.04387	1.6
131.08562	14.4
133.06476	1.9
133.10117	31.3
134.10429	1.5
135.04404	3.0
135.08002	5.1
135.11668	32.5
137.02351	2.3
137.05983	12.4
137.09642	8.2
137.13246	10.3
139.11180	11.5
141.09067	1.6
143.08595	3.5
145.04924	6.2
145.06505	1.8
145.10095	17.4
145.78009	1.4
147.04391	21.9
147.07979	2.0
147.11661	26.5
148.04736	3.4
148.71834	1.4
149.05981	15.9
149.09624	3.9
149.13252	26.4
150.06339	7.0
151.06528	1.9
151.07617	2.2
151.11166	3.3
151.14799	3.3
153.09073	1.5
153.12724	6.0
155.10603	4.2
157.10153	2.3
159.08018	1.8
159.11638	14.2
161.05920	2.6
161.09619	2.0
161.13234	20.8
163.03835	2.1
163.07520	17.4
163.11162	5.5
163.14798	14.6
164.07898	10.8
165.05504	2.7
165.08061	3.0
165.09288	1.7
165.12755	8.2
167.07018	3.6
167.10614	1.8
167.14285	2.4
171.08034	1.4
171.11681	2.6
173.13248	12.6
175.07587	3.3
175.11002	1.4
175.14792	12.1
176.07895	1.3
177.05428	3.5
177.09079	5.4
177.16383	11.4
178.09467	2.4
179.14310	4.1
187.07469	3.3
187.14761	9.7
188.08147	1.6
189.05507	1.5
189.09125	2.2
189.12685	1.5
189.16405	10.4
191.14334	3.9
191.17989	3.2
193.15797	2.5
195.17419	6.1
199.07539	1.6
199.14671	1.5
201.16330	6.5
203.14293	1.5
203.17912	3.8
205.08595	26.3
206.08951	18.4
207.09016	10.9
207.17450	4.0
209.15356	2.4
211.07416	1.6
213.18472	9.6
215.17906	6.5
217.19508	2.1
219.17352	2.7
229.19447	2.7
233.18904	1.6
245.22687	1.8
259.24161	1.9
263.23544	1.8
271.24213	14.4
277.25253	10.2
283.06006	21.3
284.06265	1.8
289.25220	30.0
295.26215	8.7
301.13748	1.6
307.26248	25.2
325.07092	3.1
325.10663	8.4
325.27411	9.9
341.13956	6.6
342.14307	7.7
343.10779	1.9
343.14828	14.4
461.30527	2.5
487.19101	1.9
505.20197	7.6
506.22821	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	505.2219
Annotation	Artocommunol CC
Peak:m/z	Relative Intensity
51.54192	0.3
55.05353	1.3
55.05648	1.4
57.03297	0.6
57.03536	0.7
57.07204	0.7
58.29758	0.4
59.76447	0.4
65.97180	0.4
67.05270	1.1
67.05678	2.0
69.06829	1.1
69.07236	2.5
71.08442	0.5
71.08778	0.8
71.64786	0.5
73.21861	0.4
79.05223	0.6
79.05646	0.9
81.03564	0.5
81.06721	0.7
81.07252	1.4
83.08266	0.8
83.08811	2.5
91.05615	0.7
93.07241	1.7
95.04596	0.4
95.05135	0.7
95.08823	1.5
97.09696	0.7
97.10392	1.7
105.07244	1.1
107.05131	0.5
107.08805	1.5
107.49352	0.3
109.10378	1.4
111.11892	0.6
117.07166	0.8
119.08758	0.9
121.10316	0.7
123.11892	0.4
129.07146	0.6
131.82260	0.4
135.04514	0.5
135.11943	1.7
137.02589	1.3
147.11845	0.4
153.02090	0.5
154.31241	0.4
157.06715	1.0
159.04558	0.4
159.11911	0.4
161.02496	0.4
174.98753	0.7
175.14922	0.5
176.99352	0.8
181.06703	0.5
185.06219	1.0
189.05748	2.1
189.16637	0.5
192.09492	0.5
193.12433	0.5
194.98602	1.4
195.00285	27.2
202.06342	0.4
202.07999	1.5
203.07175	0.8
204.01100	0.4
206.44406	0.4
207.12140	0.4
213.00247	0.8
213.05467	2.3
217.10124	2.7
219.08350	0.7
225.05702	0.5
231.01488	0.4
231.06693	1.1
245.09595	5.1
248.08434	0.9
263.10654	0.7
265.08633	0.4
273.09271	1.6
275.07208	1.1
276.07996	1.3
285.03885	0.5
291.10117	2.4
293.04712	0.5
295.05988	0.7
299.05630	0.7
301.08749	1.3
305.08087	0.9
307.05978	0.4
311.01868	0.8
311.05478	11.5
311.25763	3.6
312.59473	0.4
319.09604	9.5
321.07657	0.6
322.08261	0.5
323.05475	2.1
323.09247	2.1
325.06952	0.8
329.08087	1.3
331.09558	0.6
333.23941	0.5
336.06317	0.6
337.07190	0.9
337.10599	0.5
347.09113	41.7
348.09561	1.0
349.07059	1.4
349.10678	1.3
350.07797	1.7
351.08151	0.6
353.10153	3.5
365.10168	100.0
366.10529	1.4
371.09396	0.5
377.10233	0.5
379.11685	0.7
401.13687	0.8
419.09451	0.7
419.14853	11.6
460.69641	0.4
487.21121	4.7
505.21863	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	505.222
Annotation	Artocommunol CC
Peak:m/z	Relative Intensity
55.05466	1.5
57.07027	0.9
57.83371	0.5
67.05431	2.1
71.04937	1.0
71.63508	1.2
72.57896	0.7
79.05450	1.1
81.03345	2.1
81.06986	2.8
83.08601	1.2
89.00293	0.6
91.05448	1.2
93.06984	1.6
95.04919	1.1
95.08558	1.3
107.08583	1.0
109.10072	2.0
117.03307	0.9
117.06947	1.4
119.08495	0.9
119.56629	0.8
121.10102	0.9
123.04352	0.8
129.06923	1.5
135.11601	1.4
137.02274	0.7
147.90146	0.6
153.06905	0.7
153.12733	4.4
157.10046	0.7
177.05399	2.1
185.05991	1.1
189.05420	1.8
195.02794	1.1
202.07738	1.8
203.06967	1.1
213.05400	2.2
217.10057	2.8
231.06450	1.1
237.08870	0.8
245.09657	3.9
273.09171	1.5
275.06848	0.9
276.07773	1.9
291.10175	2.0
293.08081	0.7
295.05685	1.0
301.08600	1.3
308.06711	1.2
311.05490	10.6
319.09595	10.3
320.94885	0.7
323.05460	1.7
323.09122	2.3
331.09564	1.2
335.08389	0.8
347.09128	43.8
348.09509	1.6
349.07007	1.6
349.10837	1.3
350.07840	1.6
353.10226	1.2
365.10172	100.0
366.10300	1.9
470.37668	0.8
505.22205	35.8
505.28586	1.5
505.38831	1.1
506.22827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05523	1.0
56.96547	0.3
65.03934	0.4
69.03416	0.4
69.07050	0.2
70.06580	1.4
71.04990	0.5
71.62242	0.2
71.62670	0.3
72.08154	9.4
73.02901	0.4
73.08506	0.2
81.03405	0.4
81.07034	0.4
83.04970	0.3
84.04495	0.3
84.08136	0.4
85.02914	1.9
86.09702	0.7
91.05464	2.2
93.07015	0.4
95.04955	0.4
97.02869	0.8
98.06049	1.1
105.07002	0.4
107.04935	0.6
107.08587	0.4
108.84859	0.2
109.02876	0.6
110.02433	0.4
119.04933	9.5
121.02824	0.4
121.06502	0.5
125.05904	0.2
126.05512	7.2
127.03931	1.3
128.03462	0.3
129.10225	0.2
133.10091	0.2
135.08099	0.2
137.05940	0.3
145.04921	0.3
147.04399	100.0
148.04703	0.7
152.07024	0.2
161.05994	0.3
163.11186	0.6
164.07071	0.6
167.07048	0.5
170.08192	0.2
179.10637	0.4
194.99500	0.2
197.13078	1.5
209.15334	0.3
218.11751	36.3
219.12088	0.4
225.08012	0.4
237.02812	0.3
243.09116	0.3
252.15860	0.3
281.07950	0.2
283.11905	0.3
285.10379	0.2
295.05988	0.4
304.11728	0.6
307.05872	0.3
325.06824	0.3
325.13196	0.8
343.16507	82.6
344.16840	1.2
387.08087	0.3
487.10001	0.3
505.11179	0.9
505.21878	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	504.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91719	0.2
55.05494	0.3
56.05025	0.4
57.03412	0.2
58.06617	0.5
58.10869	0.2
59.05005	0.2
60.08158	6.3
67.05506	0.8
69.07050	0.3
70.96719	0.5
71.07369	3.0
79.05477	0.5
81.07042	0.6
86.09698	30.1
87.10044	0.2
93.07027	0.4
95.04992	0.2
95.08596	0.8
98.98450	3.1
102.78133	0.2
104.10734	3.0
105.07041	0.4
107.08577	0.4
109.10186	0.3
116.99469	0.2
117.65649	0.2
119.08573	0.2
124.99995	20.7
133.10106	0.3
135.11732	0.2
143.01007	0.5
184.07324	100.0
185.07645	0.3
258.10956	0.3
332.26498	0.2
365.10397	0.3
366.10367	0.2
404.11923	0.3
486.20093	0.4
486.29498	1.0
504.20807	0.3
504.30530	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1951
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
55.05502	2.0
56.96558	16.0
56.96839	1.2
58.06588	1.1
60.04527	1.8
69.03431	2.9
69.57361	3.4
69.57784	3.4
70.06567	4.6
71.04984	1.1
72.08144	7.5
77.63544	0.7
79.05508	0.8
79.92526	0.9
81.03416	1.3
81.07059	1.3
83.04967	1.4
84.04506	1.2
84.08150	2.5
85.02895	5.5
85.06552	1.1
86.06095	1.1
86.09699	1.0
87.04462	1.2
93.07077	1.0
95.04959	1.6
97.02898	2.1
97.06507	1.1
98.06099	1.0
98.09706	0.8
98.97572	25.0
98.98165	1.6
99.04450	1.3
101.06061	1.1
101.07137	1.3
105.07063	1.8
107.04950	1.0
107.54408	0.8
107.79108	0.9
109.02867	1.1
109.06506	1.6
110.97636	1.0
115.00758	1.4
116.98615	26.0
119.04943	1.2
119.08598	1.0
127.03906	4.3
128.10709	0.9
128.98648	2.3
133.01790	1.3
133.10123	1.7
134.99644	16.3
135.00629	1.2
137.05992	1.2
139.86736	0.9
140.00169	1.8
141.02245	3.5
143.00261	1.1
146.40457	0.9
146.99646	3.8
147.03323	1.6
147.04369	5.8
147.71938	0.9
153.00706	2.3
156.30634	1.0
157.01755	1.0
158.99640	5.6
159.03267	16.3
159.04449	1.1
161.01245	2.2
163.02780	1.0
170.08109	1.0
173.04871	2.0
173.13234	0.9
177.00691	11.3
177.01907	1.0
177.04298	6.8
182.04866	1.0
183.03157	0.9
184.04106	3.1
189.00735	1.1
195.01746	1.7
195.07016	1.1
197.04910	3.0
199.06543	2.4
200.02312	1.3
201.04398	3.6
202.05063	5.3
203.05946	2.6
209.15369	1.5
211.06461	1.5
212.03613	1.1
213.07941	5.4
215.05919	2.0
218.11824	1.3
219.01837	3.6
220.06255	1.5
225.08054	1.5
227.05920	6.2
229.07498	1.4
231.08981	6.4
235.14729	1.2
237.02780	8.3
239.09650	2.3
245.06979	2.5
247.10016	4.5
249.07970	1.9
251.06133	0.9
255.04018	1.8
255.06668	0.9
255.09109	1.5
265.11087	54.7
267.09067	5.6
283.12158	40.7
288.12753	2.5
289.11072	1.7
301.13245	2.7
306.13727	2.1
307.12119	35.4
325.13193	17.6
340.51157	1.0
343.14047	1.2
348.14783	1.8
427.16147	6.8
445.17438	47.9
463.18469	4.0
468.19171	1.2
487.26337	1.7
505.19580	100.0
505.26224	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01869	3.7
55.05504	3.0
56.05024	1.0
57.03439	0.6
58.06594	3.3
61.02917	0.8
64.89285	0.4
67.05492	1.5
68.05013	0.9
69.03424	3.7
69.07052	0.5
70.06586	4.6
71.05024	0.5
72.08149	9.7
73.02905	0.8
73.08515	0.6
79.05485	5.7
81.03406	1.8
81.07050	7.5
82.06567	1.1
83.04985	0.8
84.08139	3.8
85.02895	5.3
86.06064	1.0
86.09709	1.5
87.04465	2.3
87.10042	0.4
89.10772	0.6
90.94816	0.7
91.05485	1.3
93.07036	1.6
94.06546	0.7
95.04969	0.9
95.07333	0.4
95.08604	1.4
96.08111	3.3
97.02896	2.6
97.06524	31.0
98.06052	1.7
98.09687	21.0
98.97542	0.4
99.04424	0.5
100.07625	1.3
102.05535	0.6
103.03922	0.6
105.07034	1.4
107.04954	1.1
107.08591	1.3
108.08119	1.3
108.33410	0.4
109.02879	1.5
110.02382	0.9
110.06040	0.5
110.09666	1.4
111.08115	0.4
114.10267	0.5
115.03922	1.6
115.08669	1.4
119.04935	1.5
119.08563	1.4
121.02895	0.9
121.06514	0.6
121.10172	0.7
122.06020	0.4
123.04442	0.4
123.08038	0.5
124.11221	40.1
125.05982	15.1
127.03924	3.4
128.04228	0.5
133.05005	0.5
133.06467	0.6
133.10126	0.8
135.08034	0.9
136.07523	0.5
137.05978	0.6
142.08623	0.5
142.12279	1.3
143.06943	0.5
144.95871	0.6
145.04996	1.1
145.10135	0.5
147.04414	7.2
148.04814	0.7
149.09596	1.6
150.09972	0.8
150.12793	0.7
150.96935	0.8
152.07059	1.1
158.97421	0.9
161.05945	0.9
163.03871	0.7
163.07556	0.8
163.11176	0.7
164.10748	0.8
167.07005	1.0
175.14766	3.3
176.98491	0.8
177.05492	0.6
180.10207	0.5
181.05017	0.5
198.11351	0.5
198.37402	0.5
199.06001	0.8
206.15451	0.6
218.11826	1.6
224.12779	4.9
224.16475	1.4
232.02826	0.7
234.98961	1.0
235.14394	0.8
236.16508	1.5
239.07019	0.6
248.16504	0.6
264.15979	0.9
266.14017	0.7
266.17514	4.0
274.03717	0.7
284.18466	0.6
286.03543	0.7
291.16806	0.5
296.14926	0.7
310.03857	0.9
311.05606	1.0
337.07178	0.5
343.16687	0.9
355.04279	0.5
358.05838	2.2
368.16977	3.2
376.06876	5.7
385.05627	0.4
386.18259	1.2
399.08405	0.6
410.21716	4.3
428.22754	9.5
444.22284	8.0
469.28094	0.5
486.26981	9.3
486.34003	0.6
504.28046	100.0
505.18127	2.0
505.28317	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	504.2802
Annotation	Mycalamide A
Peak:m/z	Relative Intensity
53.03929	0.8
55.01864	4.3
55.05500	1.3
58.06590	1.3
59.04974	0.5
67.05499	0.6
68.05045	0.6
69.03419	1.7
69.07053	0.5
70.06588	14.3
71.04978	0.8
71.31306	0.8
72.08141	3.0
73.02908	0.5
79.05482	4.3
79.95367	0.3
81.03410	1.7
81.07056	4.8
82.06564	0.8
84.08129	1.5
85.02892	2.5
86.06071	0.4
86.09696	0.4
87.04453	1.4
89.10802	0.5
91.05473	0.5
91.71398	0.4
93.07018	1.1
94.06566	0.8
95.08605	0.5
96.08121	1.9
97.02896	1.9
97.06522	38.0
98.06039	0.9
98.09686	15.0
99.04460	0.9
100.07607	0.7
105.07019	0.7
108.08093	0.5
109.02889	1.4
109.06487	0.6
109.08939	0.7
112.07603	0.8
115.03900	1.1
117.07018	0.4
119.04907	0.5
122.09645	0.5
123.08089	0.6
124.11217	25.4
125.05984	20.4
127.03926	1.4
129.07024	0.4
135.08073	1.0
136.11197	0.4
142.12285	0.6
143.07034	0.8
145.04948	0.6
145.10251	0.4
147.04372	2.6
148.04741	0.4
149.09630	0.5
149.52466	0.4
150.12805	0.6
151.07532	0.8
152.10696	1.1
163.03912	0.5
164.10770	0.5
170.90669	0.4
175.14844	0.6
180.10167	0.5
192.10187	0.7
194.11722	3.4
197.07892	0.4
199.06036	0.7
206.11726	0.4
212.12846	1.5
224.12837	2.6
224.16444	1.4
235.14427	0.5
236.16556	0.5
254.13878	1.1
254.71608	0.4
265.08640	0.6
266.14288	0.6
266.17563	2.2
269.10098	0.7
284.18445	0.8
285.26709	0.4
296.15009	0.9
314.16019	0.7
338.16000	1.2
356.17032	10.0
356.20325	0.4
368.17090	2.0
386.18192	1.4
410.21692	2.2
428.22806	6.8
432.22229	4.2
444.22260	8.9
462.23264	3.7
486.26956	17.6
504.19357	4.4
504.28018	100.0
505.19537	0.5
505.28491	2.3
522.14667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2978
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
55.05494	1.5
59.86388	0.9
64.70125	0.9
67.05508	4.1
69.07033	2.3
71.47368	0.7
71.63235	1.3
79.05483	1.8
81.07040	3.1
83.08571	0.9
91.05450	1.4
93.07024	2.4
95.08576	3.6
98.98476	1.0
105.07001	2.0
107.08575	2.8
109.06491	1.2
109.10139	2.4
117.07001	1.4
118.00167	0.8
119.08571	1.8
121.02855	0.9
121.10170	1.9
131.08574	1.3
133.10078	1.7
135.08018	1.0
135.11658	1.1
145.10098	1.9
146.76265	0.9
147.11745	1.0
159.11673	1.9
161.13042	0.8
167.05569	0.7
171.11688	0.7
172.00763	0.8
179.14273	1.0
185.13298	1.1
235.12991	4.5
263.35529	0.8
269.17468	1.5
291.15704	4.1
299.05923	1.1
331.26263	3.3
347.09000	1.2
353.10294	1.1
359.32440	1.0
365.10208	1.4
368.09756	0.8
405.29916	1.9
439.32339	1.1
485.32727	2.0
503.20981	4.0
503.29648	100.0
504.30002	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	504.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05506	13.2
57.03436	1.6
57.22105	0.7
58.06606	5.7
59.04988	1.9
60.04514	0.8
63.13602	0.7
66.05574	0.7
67.05515	0.8
69.03421	5.8
70.06593	1.6
70.58643	1.7
70.59038	1.6
71.04962	1.9
72.08147	3.2
73.02905	3.4
81.03392	4.0
83.04977	7.9
84.08133	84.0
85.02898	14.6
85.06544	2.5
86.09728	0.8
87.04462	2.4
91.05418	4.3
97.02880	4.3
98.06048	1.0
98.21404	1.0
99.04444	2.8
100.11257	4.1
101.06009	36.3
107.04960	1.8
107.89765	0.8
109.02861	2.6
111.04426	3.0
119.04935	9.1
123.04394	1.1
127.03915	5.3
128.10704	44.9
131.04926	1.8
135.04384	0.7
137.05962	20.5
145.04959	1.2
146.11737	27.7
147.04388	18.7
147.05492	1.3
148.04749	2.5
149.05939	1.2
151.07556	1.3
167.05580	1.0
179.07025	3.9
188.12794	2.9
218.11804	2.8
218.13882	0.9
219.12131	1.7
230.13914	2.6
243.09171	1.0
248.14972	1.9
254.13966	2.0
272.14932	5.8
281.61139	1.0
290.15955	39.5
299.06485	0.9
308.17145	3.1
343.14297	0.9
431.21027	1.0
456.22275	65.4
457.22623	2.1
486.23233	11.1
504.24408	100.0
505.18747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
65.03914	0.4
69.03407	0.6
70.06577	0.4
70.96634	0.9
72.08154	4.8
73.73318	0.3
84.08121	0.9
85.02882	0.9
91.05425	2.8
98.06032	1.0
98.06654	0.3
98.09645	0.3
109.02875	0.4
119.04939	9.8
121.06429	0.4
124.03984	0.4
127.03903	0.4
147.04399	100.0
148.04755	0.7
164.07047	0.8
167.05589	0.6
179.03372	0.4
185.02760	0.3
218.11749	56.3
219.12102	0.5
273.13321	0.3
283.02914	0.4
299.06097	0.8
341.14938	29.3
344.83316	0.3
380.16959	5.2
503.20193	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2489
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03944	1.0
55.01863	1.5
55.05495	3.3
57.03421	1.3
57.07068	1.5
61.02918	0.8
67.05494	3.9
67.05795	0.7
69.03419	5.2
69.07059	2.8
69.68848	0.7
70.06578	2.1
70.38100	2.6
71.04984	2.0
72.08147	5.6
73.02912	2.0
76.37241	0.7
79.05483	3.5
81.03414	2.1
81.07056	9.3
83.04981	2.3
84.08140	1.5
85.02909	5.0
85.06552	1.3
86.09659	1.7
91.05436	4.5
93.07036	4.5
95.04967	3.4
95.08598	5.2
97.02873	3.2
97.06503	1.3
105.07019	5.7
107.04958	2.5
107.08584	17.4
108.08898	0.8
109.02858	1.4
109.06504	7.8
109.10149	8.0
110.02425	2.0
111.08045	1.8
117.07000	2.7
119.04915	0.9
119.08572	3.5
121.02896	0.9
121.06456	1.2
121.10130	11.6
122.07265	3.1
122.10444	0.8
123.04427	3.9
123.08045	1.7
123.11678	1.7
125.09620	1.0
125.70809	0.8
127.03901	3.5
131.08513	3.6
133.04993	0.9
133.10121	100.0
134.10486	1.1
135.08034	12.0
135.11688	2.7
137.05997	2.2
137.09607	57.4
145.10139	1.7
147.04329	1.9
147.11670	3.1
149.05991	1.6
149.09602	0.8
149.13251	14.1
151.11259	1.8
152.07083	1.0
158.10963	1.4
161.13313	1.1
163.14822	1.9
167.07172	1.6
167.10712	0.7
169.09795	1.6
173.13219	5.1
175.14833	1.5
187.07616	1.3
191.14297	53.4
193.08646	0.8
205.08612	1.1
207.06554	1.0
209.15353	23.7
255.06682	1.1
281.07486	0.8
285.06918	0.8
287.23633	0.8
295.05865	1.2
305.24847	1.4
307.06247	0.9
323.09317	1.0
323.25922	1.0
325.07040	1.5
341.13760	1.6
440.64642	0.9
503.11560	1.0
503.19089	2.2
503.34415	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65408	0.5
55.05485	0.8
61.79225	0.6
70.06577	0.7
71.61423	0.9
72.08154	3.8
77.38529	0.6
81.03431	0.7
84.04479	0.7
84.08131	1.5
85.02904	1.7
89.10771	0.6
91.05423	1.3
97.02843	0.7
98.06044	0.7
100.47867	0.7
106.27731	0.6
119.04929	9.0
143.84673	0.5
147.04396	100.0
148.04707	0.9
167.05548	1.9
179.03400	1.3
195.02876	5.9
201.67842	0.6
213.67218	0.5
218.11737	60.4
258.02090	0.6
299.06134	2.1
353.53076	0.7
358.85950	0.7
380.17023	14.1
503.20215	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05188	1.0
53.03933	2.0
53.28454	0.9
55.01868	2.3
55.05510	6.1
57.03422	2.0
57.07071	1.5
57.76991	0.8
59.04990	0.9
61.02909	2.2
61.49346	1.0
67.05489	7.0
69.03419	8.5
69.07059	4.9
69.85751	5.7
70.06580	3.9
71.04993	4.9
72.08150	18.2
73.02915	1.5
73.08439	0.9
75.23985	0.9
79.05497	5.7
81.03407	3.7
81.07053	11.3
83.04951	3.6
83.08617	1.9
84.08145	7.2
85.02899	14.8
85.06529	4.7
86.09704	3.2
87.04475	1.9
89.06025	7.1
91.05463	9.1
92.38392	0.9
93.07047	9.9
94.04193	2.3
95.04961	4.9
95.08595	18.8
96.08950	1.3
97.02868	7.1
97.06539	1.8
97.10142	1.0
98.06050	1.5
99.00781	1.0
99.04441	2.1
99.08079	2.8
101.06017	2.6
103.03939	1.0
103.05445	2.8
105.07021	13.5
107.04955	3.6
107.08596	9.3
109.02850	3.2
109.06539	6.0
109.10143	6.5
110.02408	4.2
111.08077	3.1
113.05991	1.3
114.09164	1.1
115.05441	3.4
115.08676	1.4
117.06992	2.4
119.04935	3.1
119.08577	9.7
120.08889	1.5
121.02882	1.8
121.06493	2.7
121.10125	8.2
122.03653	7.0
122.10472	1.8
123.04420	8.7
123.08064	5.5
123.11693	3.7
125.05992	2.5
125.09639	1.9
127.03918	7.6
127.11229	1.0
128.06229	1.2
128.10721	2.1
129.06956	2.5
130.08720	1.0
131.04961	2.1
131.08562	3.6
132.05690	1.7
133.06485	5.3
133.10130	6.5
134.10484	1.9
135.04430	1.2
135.06570	1.0
135.08014	1.7
135.11702	5.1
136.12038	1.1
137.05965	100.0
137.09566	3.7
137.13280	1.6
138.06325	1.6
139.03848	1.3
139.11258	1.0
143.08531	1.9
145.04967	2.5
145.06461	1.5
145.10075	2.8
146.03564	1.0
146.11731	2.0
147.04398	9.6
147.08029	3.2
147.11688	3.1
149.05971	2.4
149.09587	8.1
149.13257	2.1
151.03877	2.0
151.07541	1.9
151.11171	1.9
152.07088	5.0
153.09187	1.0
159.08029	3.9
159.11694	2.7
160.05148	1.4
161.05957	15.7
161.09634	1.4
161.13225	3.0
163.03818	1.5
163.07518	1.2
163.11168	2.0
164.64754	0.9
165.12706	1.8
167.05627	1.0
167.07057	2.8
169.09772	3.7
171.11736	1.3
172.05220	1.6
173.05957	1.1
173.13171	1.4
175.07538	21.6
175.14813	3.7
176.15163	3.7
177.05426	1.5
177.15430	1.1
179.10640	1.5
184.05080	1.1
187.07501	9.7
189.05402	1.1
189.09143	1.4
189.12730	3.7
190.07797	1.8
191.08519	6.8
191.14281	2.0
193.12180	1.1
195.13756	1.3
199.07507	7.5
202.07808	2.9
203.08478	4.6
205.08588	3.0
207.13800	13.2
211.13280	1.1
218.07320	1.5
219.08084	10.5
220.08789	2.5
231.07996	5.4
236.08333	1.9
247.07460	5.5
248.08379	3.3
251.10667	16.2
255.06496	4.0
259.07455	2.3
260.08237	2.2
261.09378	1.1
263.10611	3.6
264.07816	1.4
276.07901	1.7
277.08633	2.3
279.10162	15.0
281.08047	1.3
287.23703	1.7
289.08374	0.9
290.15973	1.1
291.10107	8.6
291.16473	1.1
292.10654	1.9
293.08160	1.0
295.05966	2.5
296.10526	1.6
299.06021	1.2
304.06552	1.0
305.24728	3.7
307.06009	2.5
309.07776	1.6
309.17453	1.3
310.17603	1.5
311.09128	2.1
311.12735	35.3
312.13235	0.9
321.07590	1.3
323.12781	16.8
323.25726	1.8
323.53653	1.0
325.07117	2.8
337.06934	1.9
341.13873	3.7
379.08139	2.1
391.08112	1.8
397.09259	1.5
410.14154	1.1
427.10312	1.3
434.15085	1.4
441.20169	1.3
449.16074	1.1
459.21149	2.5
485.17227	1.1
502.33142	3.1
503.18015	6.2
503.33292	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	503.1908
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
53.03936	2.2
54.04516	0.4
55.01862	2.5
55.05500	0.7
56.28544	0.4
57.03431	5.3
59.04993	1.7
61.02922	8.5
65.03948	0.5
67.05511	2.6
68.99771	2.1
69.03422	24.0
69.07055	0.9
70.07838	1.6
71.01360	0.5
71.04987	2.3
73.02921	2.7
77.37157	0.4
79.05498	1.7
81.03410	10.2
81.07041	3.1
83.01329	1.2
83.04986	0.8
83.08619	0.4
85.02896	48.4
85.06553	0.8
87.04472	3.7
91.03932	2.9
91.05444	2.2
93.07024	2.1
95.04973	3.2
95.08590	2.1
97.02883	22.0
97.06487	0.5
99.04456	4.0
103.03954	0.4
103.05428	0.7
105.07014	1.8
107.04949	1.7
107.08581	2.2
109.02866	6.4
109.06489	1.3
109.10142	1.5
117.07001	0.5
119.04937	0.8
119.08595	1.2
121.06496	2.9
121.10146	1.8
123.04414	100.0
124.04814	0.5
127.03903	14.0
128.06128	0.6
131.04906	0.7
131.08569	0.7
133.06503	0.9
133.10130	1.6
135.04417	2.1
135.08040	1.4
135.11673	0.7
137.05966	1.7
138.05476	0.7
143.08490	0.5
145.04947	9.2
145.06244	0.8
145.06433	0.7
145.10117	0.8
147.04391	5.6
147.11726	0.7
149.05968	12.5
149.09604	1.2
151.03896	0.7
157.06488	0.5
157.10059	0.4
159.08044	1.7
159.11719	0.5
161.05934	2.1
161.09692	0.7
163.03883	0.7
163.07523	27.5
165.05513	2.5
167.07008	0.7
173.05908	0.7
174.06734	0.9
175.07501	1.8
175.11176	0.6
177.05499	0.5
177.09094	5.0
187.07512	3.0
187.11125	0.6
189.05447	0.6
189.09052	5.2
191.07028	0.5
191.14317	0.6
201.09117	0.9
203.10620	1.1
205.08578	53.6
206.08911	0.5
213.09109	0.6
219.10112	0.5
231.10222	1.9
259.09409	0.5
271.09543	0.8
283.09677	0.6
295.06030	1.0
299.08267	0.7
299.09366	0.6
299.12738	5.0
302.56512	0.4
305.24689	0.6
313.07135	0.4
313.14313	0.8
321.07529	0.6
323.08215	1.3
323.12701	2.2
325.14310	10.5
341.10275	2.8
341.13803	33.1
363.23340	0.5
366.10385	1.3
503.15140	3.6
503.23312	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01863	1.4
55.05503	3.4
56.05015	0.8
57.03424	1.8
57.04274	0.6
61.02912	1.1
65.03943	0.9
66.04711	0.9
67.05498	2.8
69.03426	4.3
69.07069	2.7
70.06573	1.9
71.04980	2.1
71.63152	1.0
72.08147	8.7
73.02885	0.6
74.40633	0.5
79.05495	3.7
81.03405	2.4
81.07056	7.5
83.04972	1.8
83.08606	0.9
84.08126	1.9
84.12935	0.5
85.02909	9.4
85.06537	3.4
86.09689	3.9
87.04447	0.8
89.06033	3.4
91.05470	4.6
93.07039	4.9
94.04176	2.6
95.04961	2.3
95.08027	0.9
95.08593	9.6
97.02891	5.2
97.04529	0.6
97.06541	1.5
97.10110	0.9
98.09628	0.5
99.04473	0.7
99.08083	0.9
103.05468	1.9
105.07012	8.6
107.04947	1.4
107.08592	3.4
107.90176	0.6
109.02856	1.3
109.06495	3.7
109.10127	3.9
110.02395	1.7
111.08067	0.7
113.05984	1.0
115.05438	2.4
117.07008	1.5
119.04910	1.8
119.08570	6.7
121.02874	0.9
121.06490	1.7
121.10113	3.2
122.03656	6.6
123.04423	1.1
123.08056	3.0
123.11707	1.5
125.09688	0.7
127.03918	5.0
128.06200	1.4
129.07008	2.1
129.10240	0.7
131.04883	1.7
131.08594	1.7
132.05696	1.7
133.06494	5.2
133.10074	2.8
133.63052	0.6
134.10503	0.6
135.06538	1.2
135.08047	1.1
135.11684	2.8
135.84956	0.6
137.05966	100.0
139.03899	0.7
139.11189	1.1
143.04971	0.9
144.05621	0.6
145.02805	0.8
145.04930	1.6
145.10172	1.7
146.11795	0.6
147.04408	6.5
147.08026	2.9
147.11652	2.0
148.04716	0.7
149.05951	1.4
149.09619	3.4
149.13223	0.9
151.07512	1.6
152.07097	1.3
155.04868	1.3
159.08060	2.9
159.11679	1.0
160.05135	1.4
161.05977	14.7
161.13277	1.2
163.07643	1.0
163.11133	1.7
165.06952	0.7
165.12782	0.7
167.06960	2.9
169.09785	0.8
171.08026	0.8
172.05220	1.4
173.06036	0.7
175.06003	1.1
175.07549	21.1
175.14813	1.7
177.05450	0.9
178.07936	0.8
179.07018	1.4
181.12291	0.7
184.05208	1.0
187.07539	10.2
189.07127	0.8
189.09019	0.8
189.12749	1.0
190.07755	2.0
191.08542	7.2
191.14281	1.2
197.11725	0.8
199.07503	5.6
202.07811	2.3
203.08551	3.8
203.22710	0.6
207.13847	4.8
208.08719	0.8
217.08391	0.9
218.07295	1.5
219.08061	11.0
220.08792	2.0
231.08040	5.0
232.08919	1.0
236.08267	1.7
237.18311	0.7
247.07535	5.1
248.08235	3.3
251.10683	16.0
255.06519	3.5
259.07541	3.4
260.08380	1.2
261.09308	0.9
263.10687	2.7
264.07779	1.4
265.08557	0.7
269.22705	0.7
275.06668	0.7
276.07806	1.3
277.08612	1.1
279.10141	12.4
280.10931	1.0
281.08121	1.5
287.23679	1.2
291.10150	8.5
292.10876	1.7
295.13156	1.1
296.10373	1.6
305.24689	1.7
311.12750	31.0
312.12842	0.7
323.12756	14.2
323.25699	1.6
325.07028	1.2
337.06998	0.7
341.14041	1.4
341.18814	0.7
435.03317	0.7
478.33234	0.7
503.17670	1.0
503.23810	1.0
503.34134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01857	1.0
55.05470	0.4
57.03424	0.9
61.02917	1.1
69.03424	2.6
70.06571	0.5
70.97440	0.6
70.97790	0.8
71.05000	0.7
72.08152	4.9
73.02903	0.4
79.05485	1.7
80.94952	0.4
81.03397	1.3
81.07056	2.2
85.02901	5.6
91.05470	4.2
93.07027	0.4
94.04175	2.5
95.04977	0.6
95.08598	0.7
97.02877	1.8
99.91220	0.4
103.03934	0.6
103.05445	1.5
105.07024	6.0
107.04926	1.4
109.02888	0.5
109.06501	2.2
110.02390	2.0
115.05447	3.2
117.07034	1.0
118.04128	0.6
119.04925	1.5
119.08572	2.5
121.02867	0.7
121.06510	0.4
121.10127	0.5
122.03632	6.5
123.04406	0.7
127.03882	1.7
128.06204	1.8
129.06960	2.4
131.04921	1.6
131.08620	0.5
132.05692	1.9
133.06464	4.9
137.05965	100.0
138.06305	1.1
141.06953	0.9
143.04947	0.8
143.06178	0.4
144.05661	0.8
145.04974	0.4
145.06471	1.4
146.03664	0.6
147.04408	2.4
147.08018	3.0
149.05989	1.7
151.07439	0.9
152.07083	1.6
155.04871	0.7
156.05679	0.8
157.06482	0.8
159.08069	2.8
160.05185	1.8
161.04610	0.7
161.05962	12.8
162.06534	0.4
163.07616	0.6
167.07042	0.7
169.06519	0.5
169.09724	1.1
171.08073	1.1
172.05110	0.7
175.07536	25.5
179.07050	1.0
179.55481	0.4
184.05228	1.1
185.05978	0.5
187.05873	0.5
187.07521	10.1
189.06935	0.7
189.09103	0.8
190.07793	2.2
191.08542	6.8
199.07518	10.3
202.07759	2.5
203.08559	4.9
205.08504	0.5
207.08124	0.5
208.08806	0.9
217.08638	1.4
218.07188	2.1
219.08046	10.4
220.08751	2.0
227.07042	0.6
231.08025	5.3
232.08832	1.6
233.09679	0.6
235.07550	0.6
236.08324	1.7
237.08992	0.7
247.07544	5.3
248.08325	3.0
249.09099	1.0
251.10663	14.7
255.06497	22.6
256.06885	0.9
259.07529	3.4
260.08282	1.8
261.09097	1.1
263.10684	4.3
264.07773	1.5
265.08521	1.1
272.10327	0.6
276.07828	2.1
277.08597	2.4
279.10138	12.6
280.10849	1.3
280.97507	0.5
281.08072	1.0
283.12988	0.5
291.10068	8.3
292.10916	2.2
293.08014	1.1
295.06210	0.7
295.09616	0.5
295.13287	1.0
296.10379	1.2
299.20789	0.4
307.05966	0.8
308.10468	0.9
311.12747	28.7
312.13135	0.6
323.12732	13.1
325.07053	0.7
337.07028	1.3
341.13828	1.3
379.08444	0.5
398.14581	0.5
409.09048	0.5
415.56949	0.5
423.19003	0.4
427.10211	0.5
434.15808	0.7
441.20181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1906
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
53.03928	2.3
55.01856	2.6
57.03428	5.2
59.05000	3.1
61.02919	5.9
67.05492	1.9
67.54955	0.6
68.99786	3.1
69.03424	21.4
71.04978	2.3
73.02920	3.7
73.64181	0.6
79.05469	1.4
81.03410	8.0
81.07023	1.7
85.02895	57.5
87.04447	2.9
91.03951	1.9
91.05468	1.8
93.07042	1.1
95.04957	3.5
95.08585	0.8
97.02882	16.9
98.20666	1.0
99.04442	2.9
101.02349	0.8
103.03922	1.9
103.05493	0.8
105.14744	0.6
105.88432	0.6
107.04922	1.9
109.02861	6.4
109.10078	0.7
115.03894	0.8
117.06987	1.0
119.04916	0.8
121.06519	3.6
123.04415	100.0
124.04780	1.0
127.03899	13.9
131.08574	0.8
133.06525	0.9
135.04407	2.1
135.08046	1.1
145.04958	8.2
145.06447	0.9
147.04391	9.0
149.04762	1.4
149.05965	23.4
159.08069	2.0
161.05954	2.6
163.06110	1.5
163.07521	31.5
165.05470	3.8
175.07436	3.6
177.09093	9.5
187.06082	0.9
187.07487	3.7
188.84850	0.6
189.05473	1.1
189.09120	2.2
205.08577	60.3
213.09067	0.9
216.75208	0.8
219.10112	0.8
231.10167	2.0
271.09488	0.9
299.12753	3.8
313.14270	0.8
323.12729	2.4
341.13794	36.6
485.18307	1.7
503.18979	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.00303	0.6
53.03931	2.1
55.01856	1.9
57.03428	4.9
59.04993	3.5
61.02923	4.4
67.05483	2.1
68.99779	3.3
69.03418	20.0
71.04983	1.4
73.02917	3.1
73.47775	0.5
79.05474	1.2
81.03407	7.7
81.07040	1.9
85.02895	54.9
87.04451	2.4
91.03947	2.0
91.05450	2.0
91.70267	0.6
93.07031	1.7
95.04957	2.6
97.02877	15.3
98.20790	1.7
99.04439	3.1
103.03931	1.7
107.04945	1.6
107.08573	0.7
109.02860	6.7
109.06548	0.6
115.03899	1.0
117.06985	1.0
119.04953	0.8
121.06519	4.0
123.04414	100.0
127.03907	13.2
131.08519	0.8
135.04413	2.4
135.08035	1.2
145.04950	9.2
145.06218	0.8
147.04404	9.0
149.05966	18.6
150.90588	0.5
154.75148	0.5
159.08043	1.8
161.05975	2.3
163.03894	0.9
163.07523	35.0
165.05426	2.9
175.07576	2.4
177.09081	8.5
187.06117	0.7
187.07504	3.5
189.05403	0.6
189.09091	2.0
201.09012	0.8
203.10701	0.7
205.08578	62.8
219.10127	2.0
229.36388	0.6
231.10156	1.8
271.09625	0.9
299.12793	4.8
313.14389	0.9
323.12830	2.5
341.13800	38.1
342.14099	0.7
485.18030	1.6
487.15015	0.6
503.18945	2.3
503.28458	1.2
529.03217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01866	3.4
55.05503	0.7
55.99249	0.3
56.38874	0.3
57.03432	5.2
58.55361	0.3
59.04993	3.2
61.02917	7.2
65.03944	0.3
65.18176	0.3
67.05499	1.5
68.99769	2.5
69.03424	27.2
69.07063	1.4
71.01344	0.7
71.04990	2.8
71.63313	0.3
72.08151	0.3
73.02914	3.7
77.77298	0.3
79.05486	1.2
81.03410	10.9
81.07037	3.3
83.01341	0.9
83.04957	0.5
83.08626	0.3
84.08147	0.5
85.02898	57.1
85.06527	0.5
86.09726	0.3
87.04460	4.4
89.05997	0.3
90.78880	0.3
91.03951	3.5
91.05454	2.3
93.07037	2.0
95.04961	3.7
95.08585	1.5
97.02886	20.1
97.06512	0.8
99.04449	4.4
101.02376	0.9
103.03946	1.0
103.05460	1.2
105.07032	1.7
107.04942	1.9
107.08580	1.7
109.02867	7.9
109.03574	0.5
109.06507	0.7
109.10152	1.3
115.03924	1.2
115.05452	0.4
115.76097	0.3
117.06998	0.8
119.04930	0.8
119.08546	1.0
121.06482	3.8
121.10136	1.5
123.04417	100.0
123.11646	0.3
124.04750	0.4
125.09625	0.3
127.02950	0.7
127.03901	14.7
129.07024	0.4
131.04893	0.4
131.08546	1.3
133.06459	1.0
133.09232	0.3
133.10072	1.4
135.04401	2.5
135.08025	1.0
135.11760	0.4
137.05949	1.6
137.09589	0.5
143.08539	0.5
144.05678	0.3
145.04950	9.4
145.06409	0.7
145.10066	0.3
147.03215	0.5
147.04393	9.3
147.08049	0.9
147.11612	0.6
148.04991	0.4
149.05968	16.2
149.09663	0.8
153.05444	0.4
157.10085	0.3
159.08043	2.6
159.11674	0.5
160.05125	0.6
161.05983	2.6
161.09607	0.8
161.13240	0.4
163.03870	0.6
163.07535	25.5
165.05470	1.8
167.03380	0.4
167.07014	0.5
171.08006	0.8
173.05968	0.7
174.06732	0.7
175.07475	2.3
177.09102	6.7
187.07510	3.4
188.08368	0.3
189.05432	0.6
189.09100	6.7
190.06406	0.4
191.10638	0.4
195.10213	0.4
199.07532	0.3
201.09120	1.2
203.10641	1.9
205.08582	59.4
206.08908	0.5
213.09128	1.0
219.10071	1.7
231.10075	1.9
269.07956	0.4
271.09534	1.5
283.09711	0.6
285.03806	1.2
285.06592	0.4
295.05969	0.6
299.12720	4.0
311.12793	0.4
313.14304	1.1
323.12729	7.4
323.25748	0.3
325.14297	10.8
341.10568	1.4
341.13803	26.7
407.14850	0.4
503.19034	5.3
503.25510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01867	3.2
55.05513	0.7
57.03434	5.4
59.04998	2.8
60.05632	0.4
61.02924	7.4
65.03926	0.8
67.05502	3.0
68.99783	2.6
69.03423	29.1
69.07067	0.8
70.06597	0.5
70.34515	0.4
70.94187	0.9
70.94539	0.6
71.01350	0.8
71.04981	3.1
72.08144	1.1
73.02898	3.9
79.05507	1.2
81.03410	11.1
81.07053	2.9
83.01336	0.7
83.04977	0.8
85.02898	55.8
85.06531	1.0
87.04465	5.2
91.03940	3.2
91.05445	2.5
93.07042	3.0
95.04962	3.4
95.08600	1.9
97.02884	18.7
97.06530	0.5
99.04458	4.6
101.02377	1.0
103.03932	0.8
103.05424	0.6
105.07013	1.7
107.04962	2.0
107.08582	2.6
109.02874	7.4
109.06535	1.1
109.10165	1.2
111.04469	0.5
111.08097	0.5
115.03909	0.8
117.07037	1.1
119.04951	0.8
119.08576	1.1
121.06507	3.6
121.10135	0.9
123.04417	100.0
123.11689	0.4
124.04777	0.8
125.05927	0.6
125.09637	0.5
127.03902	15.5
131.04935	0.8
131.08539	1.4
133.06468	0.8
133.10112	0.6
135.04405	1.6
135.08051	1.4
135.11705	0.6
136.05186	0.5
137.02330	0.4
137.05974	3.9
137.09641	0.5
145.04944	10.0
145.06517	1.2
145.10100	1.1
147.04399	6.1
147.08060	0.6
147.11673	0.7
149.05966	14.6
149.09622	0.6
151.07527	0.5
153.05470	0.4
157.10155	0.5
159.08025	2.5
159.11705	0.5
161.05972	2.4
161.09538	0.5
162.06831	0.4
163.03915	0.6
163.07533	24.3
165.05478	1.2
167.06952	0.5
175.07489	2.5
175.11040	0.4
177.05467	0.5
177.09097	8.0
179.07173	0.5
187.06027	0.7
187.07542	3.0
189.09061	2.4
191.06985	0.6
191.14291	0.6
195.10120	0.5
197.11729	0.8
201.09135	1.2
203.10739	0.7
205.08589	68.0
206.09096	0.5
219.10205	1.5
231.10092	2.3
255.06364	0.7
271.09601	0.8
283.09738	0.8
285.03894	0.4
299.12717	3.7
305.24841	0.7
310.04678	0.5
311.12741	0.9
313.14340	0.8
323.12717	2.8
323.18607	0.4
325.07016	2.2
341.13821	28.4
371.07651	0.8
379.07968	0.7
413.30524	0.5
449.08051	0.6
503.13000	0.5
503.19016	4.5
503.25516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	0.8
55.05502	1.5
57.03429	1.2
65.03937	0.6
67.05492	3.2
69.03418	3.2
69.07049	1.8
69.93423	1.8
69.93831	1.6
71.04983	1.3
72.08168	0.8
79.05478	2.4
81.03397	2.3
81.07048	5.1
83.04958	1.0
83.08618	1.0
85.02898	6.4
91.05459	2.4
93.07052	3.1
95.04939	2.3
95.08588	4.5
97.02879	2.9
97.06516	1.3
98.20830	1.3
99.04466	1.0
99.08089	0.8
103.05465	1.6
105.07048	3.6
107.04942	1.4
107.08587	3.2
109.02887	1.6
109.06493	1.9
109.10175	3.1
111.04418	1.1
115.05481	0.7
117.06986	1.2
119.08576	3.1
121.06518	1.4
121.10110	2.6
123.04426	7.6
123.08070	1.2
123.11700	1.4
125.09662	0.9
127.03902	4.9
129.06958	1.3
131.04921	2.1
131.08566	2.3
133.06470	0.6
133.10124	1.3
134.03641	1.1
135.04398	0.7
135.08043	1.0
135.11667	1.4
137.02327	0.7
137.05975	5.1
143.08519	1.0
145.04987	0.8
145.06471	1.5
145.10132	1.7
147.04404	1.7
147.08026	0.6
147.11708	1.2
149.05956	2.5
149.09621	1.4
150.03050	1.3
151.03899	2.7
157.06467	1.5
158.07266	0.8
158.79468	0.6
159.04387	6.0
159.08032	1.8
159.11661	1.5
161.06021	2.2
161.09616	1.0
161.13161	1.0
163.03923	0.8
163.07516	2.9
165.05476	2.6
165.06721	0.6
167.07019	1.1
171.11690	0.9
173.13301	0.8
175.07591	1.6
175.11220	1.3
177.09093	0.7
177.16400	0.8
183.91110	0.7
185.13226	0.8
187.07504	6.5
189.05426	3.0
189.09018	1.0
189.16389	0.7
192.70154	0.6
201.05420	1.0
203.07019	0.9
203.10710	1.2
205.08687	2.9
213.05470	22.4
213.08752	0.8
214.06099	0.7
215.06909	1.0
219.08281	0.6
227.06950	0.9
231.06551	2.8
247.07481	1.4
255.06493	1.7
265.08575	0.7
267.06549	0.8
271.06104	3.7
281.08096	1.0
283.02853	0.7
283.05838	0.7
285.06476	1.1
287.20447	0.6
289.08371	1.8
293.08017	1.2
299.06039	0.8
300.02170	0.7
307.09668	2.4
309.07364	0.8
310.04697	5.7
311.12872	1.2
313.07242	1.0
317.08282	1.1
318.08798	1.9
319.09586	1.2
321.07492	1.4
322.04761	1.2
323.09048	1.4
323.12592	1.3
324.06216	1.4
325.07050	14.6
333.11154	0.7
335.09012	1.8
335.12784	0.9
336.06189	1.9
336.09854	1.8
337.07062	2.8
337.10635	1.3
339.08673	1.8
341.13782	3.2
346.08368	12.6
347.08777	1.1
348.10300	0.7
349.06995	2.2
349.10724	1.5
350.07816	0.9
351.08636	5.8
353.10193	1.2
355.08044	1.2
360.09882	0.8
361.10672	14.7
363.08585	2.2
363.12460	1.4
364.09399	18.0
365.10126	2.9
366.10922	0.7
367.11853	1.6
377.10141	1.7
379.11740	100.0
380.12134	1.4
391.11752	1.4
393.13275	5.1
395.11011	1.5
397.12854	21.6
398.11948	0.9
407.15012	2.2
409.12805	23.5
411.14261	1.5
413.12869	1.4
416.12469	1.9
419.14932	6.1
421.16446	7.3
427.13693	1.0
429.14615	0.7
431.14844	13.0
437.15860	6.8
449.15903	39.2
450.16360	1.2
457.33200	0.9
467.17050	23.9
485.18097	17.1
503.19193	6.6
503.29660	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	503.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81932	0.9
53.03941	3.3
55.01857	3.6
55.05501	1.4
56.73027	0.6
57.03429	5.5
58.41011	0.6
59.04990	2.8
61.02923	7.5
65.03937	1.0
67.05496	5.1
68.99782	2.8
69.03424	27.4
69.03807	1.3
69.07049	2.1
70.06574	1.5
71.01331	1.0
71.04991	5.2
71.61927	0.7
73.02908	4.5
79.01109	0.7
79.05484	2.2
81.03418	10.6
81.07055	7.0
83.01344	0.9
83.04967	2.0
85.02901	59.3
85.06532	1.2
87.04456	5.2
91.03947	4.3
91.05437	3.3
93.07037	4.8
95.04975	5.0
95.08614	4.3
97.02890	18.6
97.06525	1.4
99.04445	5.5
103.05392	0.9
105.07014	4.0
107.04951	2.5
107.08575	5.2
109.02879	9.4
109.06493	2.1
109.10181	3.5
111.04426	1.1
111.08039	0.8
114.05514	2.6
115.05422	0.9
117.07020	0.9
119.08586	2.6
121.06493	5.2
121.10127	2.4
122.03617	1.3
123.04420	100.0
123.11674	1.9
125.09625	1.2
127.03909	30.8
129.06944	1.2
131.04980	0.9
131.08562	2.1
133.06493	1.5
133.10152	3.5
135.04446	4.1
135.08052	2.1
135.11658	1.4
137.02322	1.6
137.05949	7.8
137.09624	1.4
143.08481	1.0
145.04942	10.0
147.04387	6.9
147.07994	1.2
147.11674	1.5
149.05972	18.5
149.09570	1.7
149.13254	1.1
150.06471	0.7
151.03889	0.8
157.10109	1.4
159.08018	2.0
161.05922	3.6
162.06927	0.8
163.03917	0.9
163.07538	25.6
165.05487	2.4
165.12708	0.9
165.33646	0.7
167.07042	1.2
167.10728	0.9
173.06102	1.0
173.13284	1.3
175.03807	0.7
175.07529	5.3
177.09074	9.0
187.07434	3.3
189.09120	2.4
191.07010	1.0
191.14340	2.4
195.02893	0.8
197.11739	2.9
199.07539	3.0
201.09137	1.2
201.11441	0.9
203.08719	0.7
205.08585	65.3
207.13641	1.4
209.15372	1.9
215.14293	0.7
219.02834	2.1
219.10167	1.3
227.07260	1.0
231.10100	1.0
237.03831	1.3
251.10640	1.1
255.06514	37.9
256.06509	0.8
283.05975	1.8
285.07608	0.9
291.10190	0.8
299.06036	1.0
299.12772	3.6
305.24799	0.9
311.12698	2.0
323.12692	4.0
323.25937	1.4
325.07080	1.6
339.08691	1.6
341.09857	1.6
341.13806	28.0
357.87582	0.8
383.10065	0.8
503.19263	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01870	3.6
55.05500	3.2
56.05027	1.3
57.03439	3.4
58.06594	1.5
61.02940	3.9
67.05504	3.3
69.03071	1.6
69.03427	21.4
69.07052	1.1
69.43066	1.1
69.62543	0.8
70.06595	5.0
71.01335	0.8
71.04371	1.0
71.04993	5.8
71.62399	1.0
72.08153	31.3
73.02906	2.8
73.08476	1.3
74.06049	0.8
79.05497	2.4
81.03412	21.9
81.07044	1.7
82.06590	2.2
84.04507	2.7
84.08130	7.5
85.02903	24.1
86.06053	1.6
86.09702	3.6
87.04461	5.8
87.19393	0.7
89.10791	3.3
91.03957	1.5
91.05442	2.0
93.07037	3.4
94.06567	1.9
95.08637	0.9
96.08125	8.6
97.02898	10.7
98.06042	3.4
98.09689	6.1
98.97564	1.7
99.04440	8.8
103.03950	1.2
103.05479	1.2
105.07024	1.9
107.04948	2.9
107.08596	0.8
109.02868	3.5
109.06527	0.8
110.02406	5.6
110.07150	1.4
110.09685	4.4
112.07600	3.1
114.09203	1.6
114.10328	1.9
115.03935	1.7
115.08672	2.1
116.98611	1.9
117.05496	1.2
119.04905	4.2
121.02859	7.0
121.10131	1.8
125.06025	1.1
127.03910	16.7
127.12274	1.1
129.10205	1.2
130.08659	1.3
133.06551	0.8
133.07614	2.4
134.06017	1.0
134.09642	1.3
136.11275	1.8
137.05946	1.5
138.12770	1.3
140.07024	0.8
145.05016	4.0
145.06232	0.8
147.04408	20.3
148.04779	2.4
149.09602	4.0
150.12767	7.3
152.07059	5.3
152.14340	16.7
159.39607	0.8
161.05946	3.5
161.07124	5.4
163.03918	3.3
163.08669	4.3
167.07045	2.8
167.10736	1.0
169.09738	1.9
169.17078	1.1
170.08116	1.2
175.04028	1.1
175.07477	0.8
175.14963	0.9
177.05341	0.9
177.06717	1.0
179.08287	1.3
180.10292	1.1
182.99664	1.3
189.06572	5.0
191.08194	6.0
191.14363	1.5
193.08606	1.6
201.00742	2.8
207.07648	91.0
218.11711	5.1
219.01833	0.9
223.14513	1.7
235.14336	4.2
235.64532	1.9
237.02782	1.4
241.15527	2.6
242.15355	1.3
245.04982	1.5
247.18047	3.2
249.08774	1.0
254.05582	3.1
256.15604	1.2
263.17578	2.9
265.19019	2.9
283.17358	0.9
283.20023	4.0
295.05994	1.0
299.06128	1.5
305.11246	2.6
307.05710	1.0
308.06961	0.9
309.04056	1.1
317.06949	3.5
317.16837	4.5
317.57413	1.6
317.67102	1.2
323.08688	1.8
323.12369	30.6
325.07013	1.3
338.07617	1.0
341.13431	100.0
342.13889	1.7
385.19705	4.0
399.18997	1.0
409.23395	2.4
415.06424	4.3
427.09705	0.9
427.24442	12.2
458.35901	1.0
469.28235	1.1
485.16812	1.2
503.16940	5.6
503.23636	11.9
503.29507	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1181
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
55.01861	0.3
55.05494	0.2
65.03927	0.2
65.78827	0.1
67.05514	0.2
68.99779	0.1
69.03429	0.2
69.07034	0.1
70.06583	0.2
70.40679	0.3
70.41072	0.2
71.04966	0.1
72.08149	0.6
72.95380	0.1
72.95760	0.1
79.05465	0.2
79.29506	0.1
81.03409	0.2
81.07059	0.6
83.04974	0.1
85.02882	0.3
85.06518	0.2
86.09669	0.1
91.05466	0.9
93.07019	0.4
95.08586	0.4
97.02850	0.3
99.04435	0.1
103.28634	0.1
105.03371	0.1
105.07003	0.3
107.04894	0.2
107.08566	0.4
109.02857	0.2
109.10120	0.4
110.02377	0.2
111.04373	0.2
114.09196	0.1
115.05450	0.1
119.04929	0.6
119.08559	0.3
121.02861	0.3
121.10156	0.3
127.03898	0.4
128.06197	0.3
129.06943	0.3
131.08559	0.2
133.02798	0.3
133.10069	0.2
135.11676	0.2
137.02325	4.3
137.05962	0.8
143.08542	0.3
145.02826	0.7
147.04390	0.5
149.02325	0.3
152.06152	0.1
153.06972	0.9
157.06503	0.8
159.11681	0.1
161.05966	0.2
161.13216	0.1
165.06963	0.2
167.07042	0.2
171.08025	0.4
175.07527	0.3
178.43794	0.1
179.03499	0.1
181.06473	1.5
184.05257	0.1
185.05899	0.2
197.05907	0.1
197.15009	0.1
198.06732	0.1
199.07520	7.1
200.07869	0.1
203.08478	0.1
207.06509	0.1
209.05859	0.2
211.07547	0.2
213.05444	0.1
227.06984	3.2
237.05443	1.2
255.06488	100.0
256.06857	1.5
276.14334	0.1
279.51227	0.1
305.24521	0.1
311.12863	0.2
323.25632	0.1
341.14197	0.1
411.16913	0.1
414.12604	0.1
503.11746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85558	0.7
53.03940	1.7
55.01854	1.0
55.05508	9.5
57.03432	1.9
57.07075	1.5
58.06603	2.0
59.04980	1.4
61.02916	1.5
65.03933	2.4
67.05495	5.6
69.03425	6.2
69.07061	3.2
70.06586	60.1
71.04987	3.5
71.62520	1.6
72.08150	13.0
73.02889	1.3
79.05493	5.1
81.03429	3.8
81.07050	9.2
82.06600	1.1
83.04981	5.6
83.08611	1.8
84.08144	6.5
85.02912	7.9
85.06544	1.0
86.06059	1.5
86.09694	4.9
91.05473	6.6
93.07041	9.4
95.04961	77.3
95.08601	6.6
96.08135	2.7
97.02879	6.6
97.06529	3.3
98.05991	1.3
98.09688	1.6
99.04445	6.1
101.06006	19.4
103.03945	0.8
105.07016	12.6
105.49091	0.8
107.04941	1.1
107.08588	13.8
109.02878	2.9
109.06520	7.6
109.10147	5.1
110.02396	1.9
110.06017	0.7
111.08080	1.3
112.07584	6.1
114.09157	56.6
115.08680	1.1
117.03230	0.8
117.07035	1.4
119.04978	1.5
119.08580	5.9
120.08140	1.1
121.02892	1.2
121.10129	8.9
123.08088	3.7
123.11677	4.7
125.05983	0.9
127.03920	5.2
130.08646	1.9
131.08569	5.4
132.10199	14.7
132.11153	1.1
133.10123	24.3
135.08055	4.7
135.11679	1.5
137.06004	2.7
143.08623	1.2
145.04887	0.9
145.10049	4.1
147.04390	6.9
147.11693	4.8
148.04768	1.1
149.09605	1.5
149.13246	7.3
151.11214	1.3
152.07042	2.1
153.09090	5.9
158.10921	2.1
161.05984	1.0
163.14795	1.5
164.10643	0.9
165.12727	2.0
167.07034	1.7
169.09755	0.9
173.13251	14.5
174.11159	1.7
175.03935	0.9
182.11787	5.2
191.14288	17.4
193.04956	6.3
194.05328	3.2
194.11806	2.3
202.21190	0.9
209.15353	1.9
212.12875	3.1
216.12422	1.0
218.11856	1.3
234.13335	1.6
235.14203	0.8
236.16275	0.9
240.03568	0.8
240.12280	4.2
254.17519	10.3
255.06621	1.1
258.13342	6.3
262.63669	0.9
276.14413	40.2
294.15439	14.8
295.05954	1.1
323.12769	0.9
337.07120	1.2
352.07889	0.9
411.01108	0.9
434.15384	1.9
475.63297	0.9
484.12000	1.0
484.29050	15.7
502.30124	100.0
503.30298	1.2
505.70761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
51.42663	0.4
53.03936	1.0
55.01868	1.5
55.05516	2.5
56.05012	0.7
57.03431	1.9
58.06589	0.5
58.70721	0.3
59.04979	0.6
60.05648	0.3
61.02922	0.6
65.01599	0.4
65.03941	1.0
67.05505	5.7
68.05009	1.0
68.79501	0.4
69.03424	7.8
69.07034	0.5
70.06589	5.7
70.23180	1.9
70.23529	0.6
71.04991	2.8
72.08153	7.0
73.02911	1.2
74.06078	0.6
75.32541	0.4
76.88059	0.4
79.05490	3.4
81.03410	5.9
81.07056	4.7
82.06589	0.7
83.04983	1.1
83.07349	0.7
84.04497	1.2
84.08143	3.8
85.02898	13.4
86.06126	0.6
86.09700	2.5
87.04473	1.9
89.10789	0.7
91.05470	2.6
91.11638	0.4
93.07058	1.3
95.01335	0.4
95.04967	22.5
95.08623	0.7
96.08139	1.5
97.02884	8.3
97.06524	2.8
98.06057	1.2
98.09691	19.0
99.04469	1.1
100.07610	0.5
101.05997	0.8
103.03931	0.9
103.05497	0.6
105.07034	1.7
107.04948	2.4
107.08607	0.5
108.08163	0.4
109.02871	3.8
109.06509	2.7
109.10067	0.5
110.02419	0.8
110.09672	0.6
111.04465	1.0
112.08768	0.5
113.02351	0.5
113.06002	7.0
114.10304	0.8
115.03927	0.6
115.07554	0.4
116.98598	0.4
117.07048	0.7
119.04955	2.6
119.08572	1.2
120.08093	1.1
121.02823	1.0
121.06521	1.5
122.09622	0.6
123.04433	2.5
124.03929	0.5
124.07565	0.5
124.11227	16.6
125.02325	0.5
125.05976	0.7
127.03902	6.9
128.10745	0.5
129.07008	0.7
129.10246	0.8
131.04922	0.9
131.08572	0.5
133.06512	1.6
133.10118	0.5
135.04388	0.6
135.08147	0.5
137.05984	2.9
138.09152	0.6
139.03886	0.8
141.05470	8.9
145.02838	0.7
145.04935	2.3
145.10159	0.4
146.11778	0.6
147.04399	6.6
147.07988	0.7
148.04755	0.8
148.11179	0.6
149.06013	1.5
150.12749	0.5
151.07576	0.8
152.07074	0.6
153.05510	0.7
155.06996	0.5
159.08153	0.5
161.05954	0.9
163.03874	0.5
163.07559	0.7
167.07071	1.6
169.09766	0.5
173.06001	0.6
175.07516	0.8
175.59328	0.5
177.05476	1.1
179.07057	0.9
181.08546	0.5
191.07101	0.9
193.08513	0.5
195.02948	3.4
196.09639	0.4
199.09702	0.5
200.43988	0.4
203.06964	0.9
207.06548	0.7
208.06834	0.7
218.11804	1.3
221.08151	1.1
229.83568	0.4
231.05087	0.7
235.14502	0.7
239.09143	2.2
241.07275	0.5
257.10199	1.7
264.15961	1.0
264.20520	0.4
267.08646	2.4
285.09647	7.5
285.12473	0.6
290.15991	0.8
300.06329	0.5
325.07135	0.5
337.06976	0.5
340.07922	0.9
356.04269	0.9
374.05396	1.5
408.20316	0.7
426.21350	0.7
460.21606	1.0
469.27887	0.6
470.28619	0.4
472.25433	1.4
484.25363	11.1
502.26489	100.0
503.26794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	1.4
57.03384	0.9
60.15185	0.7
61.02893	1.1
65.80090	0.8
67.05505	4.0
69.03386	1.4
69.07062	3.8
69.61752	4.3
69.62166	1.4
71.40587	0.7
73.02861	1.3
77.80956	0.6
79.05453	1.8
81.06991	2.8
83.08576	1.3
85.02843	2.2
85.03300	0.7
89.03850	0.8
91.03906	1.4
91.05426	2.0
93.07050	10.9
95.08530	2.6
97.02860	1.6
97.10153	0.7
97.98929	0.7
98.20745	1.5
99.04410	0.9
107.08598	5.1
109.10092	3.3
114.74664	0.7
121.10121	1.7
127.03809	0.8
132.22272	0.8
133.10091	0.9
134.03644	4.0
135.11662	6.8
151.03876	1.0
163.14911	0.7
187.11165	0.7
189.05411	2.3
213.05394	0.9
219.02464	1.0
245.09590	2.6
247.07553	1.1
261.09042	1.5
273.09131	1.3
275.07013	1.1
289.08633	2.1
290.09253	2.4
301.08572	2.5
305.11703	0.8
307.09610	1.4
310.04834	4.7
317.08282	1.1
318.08789	5.5
322.04633	1.2
322.08276	1.8
325.07111	6.1
329.07944	2.6
333.11115	6.7
336.10022	1.6
337.06973	1.1
337.10590	1.7
339.28961	4.1
345.07407	1.7
346.08359	14.9
349.07028	1.8
361.10681	27.9
363.08786	1.7
364.09402	11.6
367.12006	2.8
379.11752	100.0
380.12128	1.0
393.13257	2.5
402.10797	0.9
407.14957	0.9
417.13217	1.7
419.14877	1.1
421.16562	3.4
433.16409	4.7
445.16510	1.2
450.84506	0.7
483.32803	1.0
501.22769	37.4
501.35031	5.8
502.23135	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	501.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68203	0.5
55.05499	0.9
58.35465	0.5
67.05464	1.1
69.07063	0.5
71.62364	1.0
79.05470	0.9
81.07027	2.1
89.74799	0.5
91.05462	1.0
93.06997	0.9
95.04955	0.7
95.08570	1.1
105.06974	1.3
107.08551	0.7
109.10120	1.0
119.08532	1.5
131.08562	0.5
133.10158	0.6
135.11656	1.0
137.05826	0.6
145.10101	0.9
147.04390	0.6
171.68924	0.4
175.11041	0.5
187.03624	2.0
187.14716	0.6
211.08046	0.5
324.26779	0.5
337.23206	0.6
337.27133	9.9
347.08832	0.7
364.09299	0.6
365.10193	0.6
379.11581	1.1
445.25330	1.0
465.29993	0.5
483.31119	0.6
501.27921	100.0
502.28201	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	501.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03931	1.3
55.01876	3.0
55.05496	1.5
56.96523	0.5
57.03441	2.6
57.07061	0.6
59.04987	1.6
61.02923	3.4
65.03923	0.8
67.05503	4.1
68.99429	0.8
68.99785	12.4
69.03075	0.6
69.03427	11.1
69.07059	2.8
71.01398	1.7
71.04973	1.6
72.08143	0.6
73.02901	2.4
77.03896	0.5
77.79513	0.4
79.05489	3.9
81.03405	3.8
81.07050	17.4
82.09751	0.4
83.04957	0.5
85.02902	18.6
85.06522	1.2
87.04454	2.3
88.87364	0.5
89.27558	0.4
89.69543	0.4
91.03953	0.8
91.05474	5.4
93.07037	5.8
95.04960	6.5
95.08594	2.6
97.02887	6.5
97.06509	1.0
97.10175	0.6
99.04427	1.4
101.02372	0.6
103.03939	0.9
103.05465	4.5
105.07034	4.7
107.04952	2.9
107.08582	2.2
107.73558	0.4
109.02853	2.7
109.06498	1.7
109.10131	2.0
115.03910	0.8
115.05453	0.9
117.06989	2.9
119.04945	0.9
119.08608	2.8
121.05632	1.0
121.06500	18.9
121.10126	1.4
123.04421	95.0
123.11665	0.9
123.81941	0.4
124.04720	0.7
125.09637	0.9
127.03913	5.1
128.06216	5.8
129.06989	2.2
130.07784	1.0
131.04921	2.2
131.08542	0.8
133.06483	3.3
133.10133	0.9
135.04417	1.2
135.08038	0.9
135.11693	1.0
137.02344	1.0
137.05957	2.3
141.06981	1.3
142.07758	1.5
143.08546	14.6
144.09314	1.2
145.02834	0.7
145.04939	1.8
145.06451	3.4
145.10086	3.2
147.04399	3.5
147.08041	2.7
147.11697	0.8
149.05971	100.0
149.09605	1.7
150.06305	1.0
151.07529	1.6
153.05467	0.9
153.07016	0.6
154.07762	0.8
155.08568	1.4
157.06384	0.8
157.10130	1.5
158.07246	1.8
159.08041	2.3
160.05183	1.4
160.08862	3.3
161.05968	5.0
161.09641	0.9
162.06783	0.9
163.07504	2.3
165.05515	2.7
165.09140	0.5
167.07056	0.7
169.10147	1.3
171.08032	11.7
172.08826	3.3
173.05962	3.4
173.09602	4.3
173.13335	0.5
174.06741	2.0
174.10269	0.5
175.07549	6.5
175.11163	13.0
176.08258	1.0
177.05505	1.6
177.09048	0.6
183.08098	1.1
185.09584	2.0
186.10298	0.8
187.07503	2.7
187.11217	0.7
188.08319	15.3
189.05446	0.7
189.09105	4.5
189.12709	1.2
191.07045	0.6
191.10680	1.1
193.08521	0.5
197.09605	1.5
198.10463	0.6
199.07555	0.7
199.11200	0.8
200.08432	0.4
201.09094	2.8
201.12755	0.8
202.09818	1.6
203.10657	76.1
204.11021	0.9
205.12225	1.8
207.06464	0.8
213.09204	0.5
214.09911	1.7
215.10693	2.0
217.12234	28.5
227.10522	0.5
229.10457	0.5
229.12279	6.3
271.06113	0.7
283.06027	2.6
285.11127	2.0
295.05850	0.6
325.14258	0.9
337.07043	0.5
338.15100	0.5
339.08606	2.7
339.12396	2.7
339.15881	55.9
340.16306	0.7
381.17050	1.3
411.76492	0.5
429.29745	0.6
447.31274	0.6
465.19244	0.5
465.32532	0.7
483.17346	0.5
501.21204	94.6
502.21503	1.6
513.02142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2118
Annotation	Verrucarin B
Peak:m/z	Relative Intensity
50.48676	0.4
53.03934	1.7
55.01851	2.1
55.05498	1.5
55.29731	0.4
57.03444	2.7
59.04979	1.6
61.02929	3.4
65.03920	1.0
67.05505	3.2
68.99435	0.7
68.99786	11.4
69.03073	0.7
69.03426	11.3
69.07053	1.8
69.34924	4.7
71.04970	1.2
72.08119	0.5
73.02918	2.5
79.05493	3.8
81.03409	4.4
81.07050	15.8
83.04974	0.7
84.08152	0.6
85.02903	18.2
87.04436	2.3
91.03963	1.2
91.05476	4.7
93.07035	6.3
95.04966	6.3
95.08590	1.8
97.02887	7.7
97.06521	1.7
98.20749	0.8
99.04456	1.9
101.02332	0.8
103.03957	0.6
103.05458	5.1
105.07036	4.4
107.04945	3.3
107.08589	1.7
109.02869	2.7
109.06500	2.1
109.10114	1.2
111.04414	0.8
111.08112	0.6
115.03923	0.5
115.05433	1.8
117.07019	2.4
119.04947	1.2
119.08597	2.4
121.06503	20.8
123.04422	100.0
125.05984	0.7
127.03913	5.2
128.06230	5.3
129.07007	3.0
130.07802	1.3
131.04929	1.9
131.08575	1.1
132.05688	0.6
133.06480	3.6
133.10143	1.4
135.04411	1.9
135.08026	0.6
135.11719	0.6
137.05983	1.9
139.97285	0.5
141.06943	1.0
142.07765	1.7
143.08551	13.1
144.05722	1.1
144.89313	0.5
145.04985	2.0
145.06491	3.7
145.10136	3.9
147.04401	2.7
147.08061	2.8
147.11682	1.0
149.05972	99.4
149.09666	2.0
150.06302	0.7
151.07552	0.8
153.06978	0.6
154.07745	0.9
155.08534	0.9
157.06487	1.1
157.10143	1.7
158.07285	2.2
159.08008	1.3
160.05206	1.3
160.08812	3.7
161.05948	5.2
161.09607	1.5
162.06754	0.7
163.07547	2.6
165.05486	2.3
165.06812	0.6
167.07150	0.7
169.10071	1.4
171.04567	0.6
171.08043	12.8
172.08797	3.6
173.06001	3.9
173.09566	3.9
174.06740	2.3
174.10332	0.9
175.07553	7.9
175.11172	13.8
176.08394	0.9
177.05502	0.9
177.09203	0.6
183.07986	0.7
185.09654	1.5
186.10378	0.8
187.07585	2.4
188.08304	14.3
189.05579	0.7
189.09105	4.7
189.12701	1.1
191.07039	0.7
191.10657	1.9
194.18530	0.5
197.09674	1.5
199.07518	0.8
199.11249	0.7
201.09152	1.8
201.12776	1.3
202.09920	1.4
203.10657	79.8
204.11000	0.6
205.12267	1.9
205.19510	0.5
214.09918	1.4
215.10712	1.7
217.12225	30.0
227.10579	0.7
229.12277	7.1
271.09732	0.6
271.57089	0.5
283.06036	0.9
285.11343	2.4
299.81390	0.5
321.15131	0.6
325.14447	1.9
337.10901	1.0
338.11194	1.5
339.11774	4.1
339.15878	63.0
351.16031	0.6
381.17096	2.0
483.17374	0.5
501.21271	98.8
502.21616	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	501.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09331	0.5
53.03935	1.6
55.01850	2.7
55.05490	2.2
57.03431	3.2
57.07063	0.7
59.04987	1.3
61.02926	3.2
65.03912	0.7
67.05503	4.4
68.99786	8.9
69.03424	12.3
69.03991	0.7
69.07072	3.1
69.90778	1.7
69.91215	1.9
71.01337	1.0
71.04987	2.0
72.08153	0.8
73.02903	2.5
76.60013	0.6
77.03929	0.6
79.05495	4.4
81.03415	5.2
81.07049	17.3
83.04955	2.0
85.02898	17.1
85.03414	0.7
85.06519	2.1
87.04463	3.0
91.03934	1.0
91.05476	5.1
93.07040	7.5
95.04962	7.3
95.08604	4.0
97.02886	9.2
97.06494	2.8
97.10136	1.0
99.04434	2.4
103.05459	5.0
105.07030	5.4
107.04978	4.6
107.08555	3.2
109.02877	3.1
109.06516	1.9
109.10130	3.5
111.04436	1.3
115.01875	0.6
115.05432	1.4
117.07018	3.5
119.04978	1.2
119.08543	3.4
121.02847	1.5
121.06496	16.4
121.10127	2.7
123.04417	90.5
123.11674	1.6
125.06039	0.6
127.03901	6.0
128.06210	5.5
129.07030	2.0
130.07799	1.2
131.04924	2.3
131.08565	1.6
133.06467	2.1
133.10106	2.6
135.04393	1.9
135.08032	0.9
135.11674	1.8
135.72066	0.6
137.02319	1.5
137.05951	2.8
139.03925	0.8
139.07513	0.8
141.06953	0.7
142.07770	1.6
143.08543	11.3
145.02826	0.9
145.04933	2.5
145.06459	3.5
145.10129	3.7
147.04408	3.0
147.08047	2.0
147.11685	1.5
149.05969	87.2
149.09613	2.7
149.13387	0.7
151.07523	1.6
151.11180	0.8
153.05478	1.1
154.07759	1.4
157.06451	0.9
157.10112	1.6
158.07278	1.4
159.08040	1.5
159.11710	1.2
160.05165	1.3
160.08789	3.2
161.05974	5.9
161.09625	1.8
161.13290	0.6
162.06682	0.9
163.07564	2.5
163.11198	0.8
165.01808	0.8
165.05470	2.1
165.12671	0.7
166.65506	0.7
167.07065	1.0
169.06447	0.7
169.10110	1.2
171.08047	10.6
172.08763	2.8
173.05923	3.9
173.09618	4.2
173.13261	1.0
174.06764	2.6
175.07533	8.8
175.11156	13.0
175.14728	1.1
177.05475	1.9
177.09061	0.6
177.12772	0.8
179.10664	0.8
181.12117	0.6
183.02914	1.5
185.09604	1.0
186.10287	0.6
187.07565	1.6
188.08301	12.8
189.09079	4.2
189.12756	1.5
191.10657	1.5
193.06555	0.7
193.08507	0.8
198.10391	0.6
199.07605	1.1
201.09064	3.1
201.12837	1.2
202.09813	1.8
203.10652	70.9
205.12302	2.6
207.06531	1.3
213.09004	0.8
214.09819	1.0
215.10686	2.2
217.12228	28.9
227.10672	0.9
229.12280	6.1
255.06706	1.5
283.05994	66.8
284.06314	1.7
285.11215	2.0
295.06104	1.3
311.13184	0.6
321.07669	0.9
325.07147	1.2
325.14374	1.9
337.07294	0.9
339.08676	3.1
339.12204	19.0
339.15979	63.4
377.10205	1.1
381.16962	1.8
405.17096	0.8
447.31323	0.9
465.15179	0.9
483.16730	1.0
501.21222	100.0
502.21576	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01860	0.6
55.05483	0.5
57.03225	0.2
57.03432	1.6
57.07051	0.2
59.04968	0.5
61.02919	2.0
65.03952	0.3
67.05475	0.9
69.03421	8.3
69.07038	0.4
70.06568	0.3
70.07327	0.2
71.01328	0.4
71.04967	0.7
71.38029	0.2
73.02910	1.0
77.22533	0.2
79.05479	0.6
81.03410	2.5
81.07051	1.8
83.01307	0.4
83.04939	0.5
83.35247	0.2
84.08136	0.4
85.02895	19.4
85.06517	0.3
87.04449	1.0
91.03928	0.4
91.05471	1.8
93.07031	1.0
95.04967	0.5
95.08595	1.1
97.02273	0.4
97.02878	6.2
97.06519	0.5
97.10152	0.3
98.21475	0.7
99.04442	1.2
103.03957	0.4
103.05424	0.3
104.30071	0.2
105.06996	0.8
107.04930	0.4
107.08563	0.9
109.02859	2.4
109.06492	0.4
109.10128	0.9
111.08067	0.3
115.03917	0.2
119.04926	2.0
119.08540	0.8
121.02841	0.5
121.06512	0.5
121.10106	0.8
123.04424	1.6
123.08047	0.2
123.11687	0.4
125.05944	0.5
127.03897	4.8
131.08556	0.4
133.10092	0.5
135.04379	0.2
135.08012	0.4
137.05940	0.4
137.09615	0.3
143.08507	0.3
145.02869	0.5
145.04927	1.5
145.05931	0.2
145.06456	0.2
145.10155	0.3
147.04422	1.5
147.11647	0.3
149.02312	0.3
149.05960	0.7
149.09624	0.3
149.13184	0.3
151.03874	0.3
153.05460	0.7
159.11664	0.4
161.06013	0.2
163.03856	0.3
165.07001	0.3
167.03363	0.7
167.07051	0.3
173.02307	0.4
173.05975	0.5
175.03876	2.1
177.01807	0.6
177.05438	0.5
179.03325	0.4
183.07973	0.3
187.03951	0.3
187.07552	0.4
189.16307	0.3
199.07542	0.2
203.03366	0.3
203.07039	0.6
203.10625	0.5
207.06502	4.3
211.07497	0.7
217.04976	0.2
221.04411	2.3
229.49461	0.2
237.08946	0.4
239.07022	1.0
267.06491	1.7
277.04819	0.3
279.06427	0.9
283.06000	1.0
283.09543	0.8
293.08084	0.5
295.05957	10.5
296.06586	0.5
297.07687	0.9
305.07864	0.3
306.05267	0.2
307.06165	1.3
309.07443	0.4
311.09192	1.6
321.07510	7.4
322.08282	0.5
323.05402	1.1
323.09048	0.5
324.06253	2.6
335.09131	0.3
337.06927	0.7
339.08582	100.0
340.08963	1.0
349.06921	0.4
363.08432	1.2
367.08136	0.3
381.09650	4.3
397.09158	0.3
405.09567	0.4
409.12564	0.4
429.30042	0.4
447.31223	0.3
501.13745	1.0
501.19571	0.2
501.22589	0.3
501.33585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94355	0.4
53.03957	1.4
55.01881	1.7
55.05494	2.0
56.56578	0.3
57.03434	2.7
59.05008	1.1
61.02921	2.2
65.03947	0.8
67.05498	4.3
68.99811	1.2
69.03424	13.0
69.07064	2.3
70.06606	0.5
70.16777	1.4
71.01331	0.6
71.04999	1.4
72.08157	0.5
73.02927	1.7
79.05485	2.2
81.03411	4.3
81.07054	5.1
83.04989	1.2
83.08645	0.7
84.08134	0.5
85.02897	26.3
85.06554	0.6
86.70754	0.4
87.04478	1.7
91.03960	0.6
91.05457	3.4
93.07035	3.8
95.04958	6.2
95.08604	4.2
97.02879	8.6
97.06548	1.0
97.10155	0.6
99.04448	1.9
99.08098	0.4
103.03937	0.9
103.05445	0.7
105.06997	3.5
107.04938	2.3
107.08598	3.3
109.02870	4.1
109.06510	2.7
109.10159	3.2
111.08079	1.5
115.03951	0.5
117.03365	0.4
117.07015	1.4
119.04949	1.8
119.08552	1.9
121.02832	0.9
121.06491	1.9
121.10143	2.1
123.04417	100.0
123.11699	1.5
124.04716	0.9
125.06031	0.4
125.09605	0.9
127.03912	7.1
127.11240	0.5
128.06122	0.5
131.04924	1.2
131.08551	1.2
133.02864	0.5
133.06520	0.7
133.10124	1.8
135.04385	2.0
135.08044	1.4
135.11671	1.4
137.02400	0.7
137.05994	2.5
137.09599	1.7
137.13284	0.4
139.07564	0.9
141.05434	0.4
142.07822	0.4
143.08525	0.6
145.02853	0.6
145.04973	2.5
145.06476	0.6
145.10133	2.2
147.04390	11.5
147.07977	0.6
147.11674	1.3
149.05991	3.8
149.09621	1.3
149.13248	0.6
151.07547	1.1
151.11235	0.9
153.05453	1.1
157.10120	0.5
159.04359	0.5
159.08015	1.4
159.11638	0.9
161.05942	1.3
161.09697	0.9
161.13226	0.8
163.03902	1.5
163.07549	2.8
163.11133	1.0
165.05525	1.2
165.09108	0.7
165.12708	0.6
167.06993	0.7
171.04402	2.7
171.08102	0.7
173.02266	0.5
173.05942	1.0
173.09608	0.9
173.13286	0.7
175.03947	2.0
175.07567	0.9
175.11200	0.9
177.05435	2.1
177.09088	2.2
179.10652	1.1
181.12199	0.7
185.13400	0.4
186.06714	0.7
187.07504	2.1
187.14827	0.5
188.08273	0.6
189.05522	0.7
189.09091	0.6
189.12753	0.5
191.07007	0.7
191.08571	0.5
191.10600	0.6
191.14174	0.5
193.12184	1.0
194.07159	0.4
199.07449	1.3
201.09038	1.7
203.03366	1.5
203.10648	2.1
205.08575	15.9
207.06482	1.3
207.10056	0.8
209.11674	0.4
211.07556	0.9
211.13213	2.0
215.07082	0.4
217.04849	0.7
217.08537	0.5
217.12093	0.7
217.15756	0.4
219.02820	1.2
229.08548	1.5
237.09062	1.3
247.07530	0.7
255.06563	0.4
256.07321	0.6
265.08612	2.0
269.07983	1.7
275.06931	0.5
283.05991	0.9
292.07184	0.4
293.04974	0.5
293.08078	5.7
297.11124	0.8
303.06558	2.2
303.23181	0.6
304.07062	0.5
309.11072	0.6
321.07550	63.6
322.07953	2.6
337.10684	0.6
339.08420	29.9
339.12134	47.0
340.08725	1.2
340.12457	1.6
345.07294	0.8
363.08481	4.2
381.09247	1.0
381.13324	0.6
395.11179	0.5
413.12332	0.6
429.29587	1.1
447.31070	0.5
452.71005	0.5
465.32260	0.8
483.12366	3.7
483.31760	0.6
501.13318	21.3
501.29840	1.1
502.13831	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	501.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01870	0.5
55.05485	0.7
57.03430	2.1
59.04974	0.3
61.02922	1.9
65.03920	0.3
67.05498	1.1
68.99796	0.2
69.03424	8.9
69.07057	0.8
69.33498	2.5
71.01350	0.5
71.04981	0.8
72.08125	0.3
73.02915	1.2
79.05488	0.5
81.03410	2.7
81.07034	1.9
83.04983	0.7
85.02900	19.0
85.06561	0.6
87.04455	1.0
91.03952	0.6
91.05479	1.8
93.07046	0.9
94.04182	0.2
95.04966	0.6
95.08604	1.2
97.02887	6.1
97.06521	0.4
99.04466	1.3
101.02330	0.3
103.03951	0.5
105.03398	0.3
105.07019	0.8
107.04926	0.4
107.08581	1.0
109.02859	2.4
109.06522	0.4
109.10149	1.2
111.04421	0.3
111.08096	0.2
115.03881	0.3
117.06976	0.3
119.04945	2.2
119.08575	0.9
121.02872	0.6
121.06485	0.5
121.10141	0.7
123.04433	1.7
123.11666	0.5
127.03908	4.5
131.08510	0.3
133.10114	0.8
135.08034	0.3
135.11702	0.6
137.05952	0.4
137.09622	0.3
137.13304	0.3
141.78174	0.2
143.08601	0.5
145.02792	0.6
145.04958	1.6
145.06358	0.4
145.10120	0.4
147.04382	1.7
147.11653	0.4
149.02342	0.3
149.05943	1.0
149.13336	0.3
151.03963	0.2
151.07532	0.3
153.05411	0.7
154.30159	0.2
157.10106	0.4
159.04364	0.4
161.13290	0.2
163.03889	0.4
167.03381	0.6
167.07027	0.3
171.11630	0.2
173.02325	0.4
173.05951	0.3
173.13258	0.2
175.03922	1.9
175.07582	0.2
175.11208	0.4
177.01848	0.4
177.05519	0.2
179.03381	0.3
183.08105	0.6
187.07454	0.4
191.03278	0.2
203.06972	0.3
203.10603	0.6
207.06503	5.0
211.07541	1.0
217.05069	0.3
217.12317	0.4
221.04356	2.3
231.08531	0.3
237.09116	0.6
239.07033	1.4
250.06274	0.3
265.08588	0.2
267.06473	1.8
270.71683	0.2
271.06281	0.2
277.04944	0.5
279.06726	1.1
279.09338	0.2
283.06012	0.8
283.09714	0.8
293.08151	0.3
295.05984	9.9
295.09348	0.6
296.06586	0.6
297.07471	0.8
306.05151	0.4
307.05875	1.5
309.07623	0.4
311.09195	1.3
321.03806	0.4
321.07544	7.4
321.10654	0.3
322.08264	0.5
323.05258	1.1
324.06262	2.8
325.07010	0.3
337.07016	0.7
339.08606	100.0
340.09021	1.4
349.06860	0.4
363.08646	1.4
367.08279	0.5
381.09723	3.9
405.09259	0.4
409.12851	0.5
422.09018	0.3
447.31180	0.3
483.12283	0.4
501.13980	0.8
501.33810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.5
55.05505	5.4
57.07041	2.4
58.06569	0.9
59.04965	1.1
65.03902	0.8
66.89756	0.5
67.05502	8.1
69.03394	1.5
69.07064	6.9
70.06561	1.1
71.04948	2.0
72.08133	1.1
79.05490	6.2
81.03385	0.7
81.07053	9.7
83.04974	1.6
83.08585	1.7
84.08135	12.9
85.02909	2.9
85.06512	1.6
91.05473	9.5
93.07037	14.0
95.01449	0.5
95.04926	1.9
95.08595	27.4
97.02853	0.7
97.06521	0.6
98.09681	1.0
99.08047	2.2
101.06005	7.7
103.05443	0.8
104.06254	0.7
105.07021	25.8
106.07297	0.6
107.08585	18.2
109.06462	1.0
109.10146	14.6
113.09618	2.7
117.06989	1.9
119.08571	54.7
121.10139	6.3
123.08031	1.8
123.11713	4.1
127.03954	0.6
128.10709	5.7
131.08533	1.5
133.10120	70.4
134.10370	0.9
135.11678	25.8
137.08647	0.7
137.09605	6.8
145.10133	2.8
146.11769	4.2
147.04379	1.3
147.11673	11.4
149.13258	4.9
151.14774	2.8
158.10898	0.6
159.11632	0.7
160.12428	1.5
164.14542	0.6
167.07028	0.5
173.13231	1.2
175.14810	100.0
176.15114	2.4
192.14809	0.7
193.15851	13.6
193.17607	0.7
248.15012	1.2
272.14966	1.4
290.16006	6.2
306.15430	0.9
308.17017	67.1
309.17477	1.2
331.93311	0.7
339.08594	0.7
340.12244	0.7
341.06400	0.8
353.06467	0.8
365.10904	0.7
383.11252	0.7
482.31235	3.7
497.35980	0.6
500.32281	32.0
501.17685	3.2
501.32767	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	500.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
53.85519	0.9
55.01856	1.7
55.05508	16.3
56.05022	1.8
57.03430	2.9
58.06601	7.1
59.04995	2.0
61.02950	1.2
67.05492	2.3
69.03427	12.4
70.06597	8.6
71.04990	3.8
71.61131	1.0
72.08150	11.6
72.69463	1.0
73.02908	3.5
73.82300	0.9
79.05480	3.1
81.03410	8.0
81.07048	1.1
82.06574	2.6
83.01309	1.3
83.04973	9.6
84.04488	1.3
84.08138	87.4
85.02900	16.7
85.06536	4.0
85.08450	1.1
86.06052	5.1
86.09695	2.0
87.04456	4.2
88.28577	0.9
91.05483	3.8
92.94308	0.9
93.07025	2.0
95.04971	1.5
97.02883	11.0
97.06526	1.1
98.06099	1.2
98.09685	3.8
99.04468	5.9
100.07594	1.1
100.11258	3.2
101.06010	40.2
101.26562	0.9
103.03922	2.5
103.05464	3.1
105.07028	15.3
106.04131	1.7
107.04973	1.1
107.08595	2.2
109.02876	5.1
110.02409	1.4
110.07128	1.2
111.04441	3.3
111.05567	1.3
112.07610	1.1
114.09167	1.7
115.05477	2.9
116.07117	1.0
118.04174	1.8
119.04961	2.8
121.06504	2.3
127.03909	12.9
128.07053	2.4
128.08191	1.9
128.10716	39.7
129.05479	2.4
130.04968	1.1
130.08678	2.3
133.06474	16.1
135.11707	1.5
137.06026	1.9
138.05461	7.3
139.03975	1.5
140.07076	2.0
144.10196	2.2
145.04956	2.7
146.09273	4.4
146.11757	37.0
147.04382	9.9
147.11693	1.6
149.06003	3.1
151.07594	1.2
152.07100	3.4
153.05482	2.5
153.12747	5.6
161.05991	27.4
163.03915	2.4
163.06023	1.2
167.07071	3.3
168.07863	2.6
169.09773	1.2
170.97913	1.0
175.03944	4.5
175.06227	1.0
177.05586	2.0
181.08656	1.6
188.12822	1.5
191.07033	1.2
191.14299	1.9
193.08575	16.2
196.07394	2.7
201.00752	1.2
207.06456	5.1
211.09697	2.7
230.13936	2.7
252.12274	2.1
256.11899	1.4
272.14896	7.6
274.12930	3.0
285.16251	1.2
290.15985	94.1
291.16403	2.9
308.17126	4.7
381.18307	2.1
500.24902	100.0
501.25082	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	500.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.1
55.05458	13.7
56.04995	0.9
57.03386	2.0
57.03650	0.7
58.06590	8.1
59.04943	3.3
61.02890	0.9
67.05442	1.4
69.03414	7.4
70.06535	3.1
71.04934	2.1
71.62140	0.9
71.62556	1.1
72.08150	10.4
73.02899	3.7
79.05436	0.9
81.03426	4.4
83.04971	10.7
84.08134	89.2
85.02896	15.0
85.06524	3.4
86.06001	3.2
86.09650	2.0
87.04462	4.4
89.10705	1.1
91.05417	2.8
94.06507	1.2
95.04955	1.2
96.08083	0.8
97.02885	6.3
98.06022	1.0
98.09632	3.0
99.04380	3.0
100.11253	5.0
101.06010	35.7
103.05405	2.1
105.07015	14.6
105.37235	0.7
106.04115	1.2
107.04910	1.1
109.02855	3.8
110.02328	2.3
111.04375	2.0
111.09101	1.0
115.05392	2.0
119.04860	3.1
119.43422	0.7
121.02789	1.0
121.06433	2.1
127.03922	4.5
128.10703	40.1
129.05507	0.7
129.06531	0.8
133.06473	15.6
134.18239	0.7
137.05969	1.1
143.05988	1.1
144.10162	1.6
145.04883	1.1
146.11745	29.2
147.04395	17.0
148.04721	1.0
149.05960	2.0
152.06992	2.5
153.05391	0.9
160.09634	0.9
161.05966	32.6
162.70580	0.7
163.03772	1.1
167.06985	2.8
169.29753	0.8
177.05441	2.4
181.08577	1.4
188.12767	2.4
193.08588	15.7
208.07204	0.8
211.09607	2.6
218.11787	1.4
218.13872	1.1
230.13858	2.5
235.14426	1.0
254.13853	2.3
271.64847	0.7
272.14883	11.9
274.98303	0.8
288.14487	0.9
290.15964	100.0
291.16278	2.2
306.12991	1.0
308.16977	2.6
452.13544	0.7
464.10278	0.8
470.23764	0.8
500.24878	89.8
501.24744	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	499.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76471	2.1
53.03930	6.4
55.01868	6.0
55.05292	2.2
55.05511	23.6
57.03235	1.8
57.03438	22.8
57.07068	6.7
59.04995	2.3
61.02922	55.5
62.26504	2.2
67.05499	75.2
69.03426	26.0
69.07058	29.7
70.32471	3.5
70.32874	6.5
71.01340	7.0
71.04979	5.5
71.08611	3.3
73.02916	25.2
79.05480	27.8
80.02466	2.2
80.76686	2.3
81.03410	20.0
81.07053	78.8
83.04955	4.6
83.08622	17.2
85.02901	51.7
85.10173	4.3
85.41940	2.0
86.09715	2.9
91.03952	38.8
91.05473	19.1
93.07045	32.7
95.04962	6.0
95.08595	61.8
97.02891	48.9
97.06521	5.6
97.10163	9.6
99.04433	7.9
99.08070	3.1
101.02379	8.7
103.03950	9.5
104.10744	4.9
105.07035	24.8
107.08588	21.7
109.02859	9.1
109.06533	2.9
109.10148	28.1
111.04446	3.0
111.08093	2.4
111.11702	3.5
115.03923	5.4
117.06996	2.8
119.08586	14.8
121.06532	3.5
121.10128	16.5
123.11718	12.9
127.03908	19.9
127.11198	2.2
129.05482	6.7
131.08578	6.8
133.10110	14.1
135.11644	11.2
137.09592	3.1
137.13249	6.5
145.04945	8.4
145.10106	5.2
147.11687	8.9
149.13246	7.3
151.11159	3.6
151.14809	2.6
155.03307	2.3
155.08604	2.5
157.10155	2.5
159.11633	3.4
161.13231	7.5
163.14803	8.8
167.60847	2.5
171.06500	2.6
171.11736	2.5
175.14790	6.2
177.16451	4.4
183.06552	6.0
184.07304	5.1
187.14766	2.5
189.16373	6.1
201.07536	7.4
201.16426	2.3
245.22607	12.8
263.23669	21.8
305.24664	2.4
337.27350	100.0
353.24957	3.5
365.26929	2.7
371.25659	6.6
387.84363	2.5
445.29492	2.8
453.29855	2.7
463.30627	4.0
481.31424	5.1
499.32904	39.3
499.85352	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	499.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02226	2.5
51.43517	2.6
53.03948	7.9
55.01864	5.9
55.05502	30.6
57.03432	24.8
57.07066	7.5
57.27882	2.5
60.70661	2.5
61.02923	57.2
63.06214	2.8
65.03938	2.7
67.05497	90.0
69.03426	44.5
69.07059	42.9
70.63821	8.4
71.01346	5.4
71.04976	6.6
71.08619	5.8
73.02915	24.1
79.05485	31.6
80.39571	2.5
81.03417	22.6
81.06573	5.4
81.07050	100.0
83.04971	10.6
83.08614	23.7
85.02895	55.0
91.03946	33.4
91.05464	26.4
93.07039	40.2
95.04945	8.0
95.08601	79.7
97.02879	50.0
97.06506	6.0
97.10190	13.4
99.04436	10.0
101.02367	11.0
103.03935	11.0
105.07013	26.3
107.04947	9.0
107.08557	23.3
109.02859	15.5
109.06521	4.6
109.10146	35.8
111.04453	3.1
111.08108	3.8
111.11756	3.4
113.05985	3.3
117.07011	6.4
119.08566	26.3
121.10126	21.7
123.08044	4.5
123.11717	14.8
127.03893	18.9
129.06963	3.3
131.08531	7.4
133.06453	4.1
133.10144	22.4
135.11685	12.3
137.09608	3.5
137.13251	7.7
143.08543	5.2
145.04941	8.5
145.10118	8.0
147.11673	12.4
149.13211	10.5
157.10107	3.8
159.11650	5.0
161.13290	8.8
163.14781	10.5
173.13165	3.3
175.11188	4.7
175.14807	7.6
177.16422	3.2
183.06519	7.9
201.07475	6.4
245.22643	13.8
263.23700	27.9
270.17664	4.7
305.24725	3.7
313.07007	4.2
337.27341	95.8
345.46472	3.0
353.24783	4.3
365.26645	4.7
371.25711	6.2
389.26743	3.8
405.09515	10.9
453.29578	3.3
463.30222	4.4
464.30667	3.5
481.31357	13.5
499.32199	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	499.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53561	0.5
55.01868	0.6
55.05507	1.4
56.62223	0.5
57.57510	0.6
59.94813	0.5
61.73310	0.5
70.06589	2.0
70.96478	0.9
70.96793	0.7
72.08148	100.0
82.02930	1.1
82.84264	0.5
84.08121	1.2
85.02903	1.8
89.10781	3.6
91.05452	0.5
97.02901	1.0
98.02426	1.8
107.04971	1.4
110.02392	42.7
119.04950	1.0
131.04938	0.7
137.05995	0.6
138.05469	1.0
138.09175	0.5
139.65604	0.5
145.02910	0.9
147.04395	3.3
151.07585	0.7
151.08618	2.6
152.07051	44.4
163.03888	0.9
168.06592	1.1
169.09705	40.2
177.05467	2.2
207.08179	0.6
217.13405	0.8
218.11723	0.6
232.11940	0.6
243.10228	0.7
259.79321	0.6
267.10022	0.8
394.16595	0.9
406.75098	0.6
411.19089	37.4
412.19843	0.8
455.15240	0.6
481.27917	1.3
499.13980	1.8
499.29138	40.1
500.30035	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2915
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
55.05511	3.2
55.50693	0.5
55.60555	0.5
55.91954	0.6
56.96569	0.5
57.69127	0.5
59.06127	0.6
60.04532	0.8
69.03426	2.1
70.06577	2.7
71.61582	0.7
72.08148	95.3
73.02889	0.6
73.06543	1.3
75.74723	0.5
79.05458	0.6
80.01374	0.7
81.03416	1.1
81.07056	0.8
84.08138	2.0
85.02900	2.8
86.06031	0.9
86.09711	1.1
89.10792	3.1
91.05471	1.1
95.04946	0.8
97.02872	1.4
97.04036	1.5
98.02422	1.8
98.06042	3.3
98.97551	0.6
100.07611	0.6
105.07037	0.6
107.04948	1.3
109.02887	0.9
109.04007	2.0
109.06516	0.7
110.02393	28.1
114.09150	0.7
115.03935	0.5
115.08676	0.7
116.98628	0.8
119.04932	2.6
124.07606	1.1
127.03944	2.2
127.04974	0.5
128.10666	0.9
135.04459	0.9
136.07620	0.7
137.05972	3.2
144.01059	0.5
145.02863	2.1
147.04399	9.0
148.04782	0.6
150.10309	1.1
151.07443	0.5
151.08638	17.6
152.07048	26.6
153.10205	1.2
162.03085	1.2
163.03920	3.7
168.11385	1.5
169.09720	11.3
173.13412	0.5
175.03929	0.8
177.05418	3.5
202.73628	0.6
207.02936	0.7
207.06456	1.2
207.08238	0.7
213.87825	0.7
217.13362	9.1
217.15424	0.7
218.11766	1.2
222.16087	1.3
223.07564	0.6
223.14444	2.6
232.12032	0.6
235.07567	1.1
235.14317	1.3
239.18645	3.8
240.17108	1.1
242.09418	1.0
247.14400	4.3
248.12958	0.6
257.19791	0.8
263.06763	0.7
265.15417	0.9
267.10388	0.7
295.09595	0.9
319.13089	0.6
337.13971	1.9
337.17731	0.7
393.18106	2.0
411.19208	4.8
412.20151	0.7
424.51874	0.6
424.89423	0.5
428.21814	1.6
463.27209	0.9
464.25647	1.7
474.31561	0.5
481.17780	1.0
481.28125	17.3
482.26462	6.1
499.29153	100.0
500.29639	1.7
510.42093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05515	1.1
56.05000	0.5
56.96559	2.6
68.05032	0.6
69.03426	1.8
70.06591	5.8
71.11660	0.5
71.61915	0.4
71.62292	0.7
71.72285	0.5
72.08152	82.3
74.43082	0.5
81.03406	0.7
83.73863	0.5
84.04508	1.0
84.08147	1.8
85.02899	2.3
86.06065	0.5
86.09692	3.5
89.03915	2.9
89.10789	18.5
91.05486	5.9
91.82258	0.5
96.08147	0.8
97.02898	2.1
98.06036	2.8
98.09672	0.8
98.97582	4.3
99.04505	0.6
103.12364	1.0
107.04939	1.1
110.02408	1.6
110.07124	0.8
110.97581	0.7
114.10265	0.6
115.08685	2.7
116.98611	4.0
117.03381	9.5
119.01870	0.8
119.04932	22.6
122.20271	0.5
123.04411	0.6
126.05534	0.8
127.03951	1.2
128.98628	1.6
131.00165	0.7
131.01964	0.6
134.99657	2.0
135.04425	1.4
136.06120	0.5
136.07526	0.7
138.05611	0.6
145.02834	39.4
146.99681	2.0
147.04401	100.0
148.04805	1.2
149.01250	0.7
149.06006	3.7
150.05598	0.5
152.05730	1.0
152.07094	1.5
153.89352	0.5
157.68678	0.5
158.99677	1.7
159.04591	0.5
160.57736	0.5
161.01279	1.5
161.05971	0.6
163.02690	0.9
163.03906	6.4
164.07153	0.6
165.00751	0.6
167.07048	0.5
169.09746	0.9
170.99586	0.7
174.99185	1.4
176.10724	0.5
177.00648	3.1
177.05460	74.3
178.05812	0.5
179.02274	0.7
181.81699	0.5
186.05588	0.7
189.00673	1.3
193.00201	2.7
201.00793	1.4
217.00244	1.0
217.13370	1.0
218.11745	25.3
219.01784	3.8
219.12114	0.7
223.07335	0.5
230.11737	1.7
234.11310	0.9
235.01132	0.8
235.14412	20.2
236.14644	0.8
237.02795	5.8
244.55156	0.7
245.05147	1.3
247.14432	1.1
248.12819	12.5
248.15184	0.9
249.15887	1.4
251.13914	1.3
255.04010	0.6
255.92334	0.5
261.02850	1.9
261.12183	0.7
265.15466	16.9
265.18344	0.8
269.05472	0.7
277.06027	0.8
279.03934	1.6
287.06735	0.7
295.06976	3.7
297.07648	0.8
321.04651	0.6
323.05948	0.7
337.04803	0.6
341.07339	0.5
353.07590	0.7
393.14395	0.6
399.07376	0.6
407.04932	0.6
410.21063	0.6
411.15225	1.7
411.20053	2.8
428.21805	0.8
436.13519	0.6
439.11197	5.9
440.12091	0.7
445.19861	1.3
463.20911	1.4
465.14182	0.7
469.28088	0.7
472.64594	0.6
481.21814	1.1
481.27982	2.3
482.26596	4.4
499.29211	87.8
500.29272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01879	4.4
55.05506	7.0
56.96560	1.5
57.03448	4.2
57.07078	3.1
59.04982	2.2
61.02922	2.8
65.03950	2.0
67.05503	13.2
69.03433	14.5
69.07079	12.7
69.81705	1.3
70.06590	1.9
71.04984	1.8
71.62752	2.4
72.08169	4.2
73.02923	4.1
76.96327	1.5
79.05501	6.5
81.03417	8.3
81.07053	30.3
81.07502	1.7
82.07404	1.6
83.04984	4.5
83.08613	3.8
83.50923	1.4
84.08134	1.6
85.02903	25.5
85.06557	6.4
87.04473	3.1
91.05470	13.5
93.07051	14.3
95.04963	8.1
95.08601	15.6
95.09066	1.5
97.02899	13.6
97.06544	4.6
97.10165	2.3
99.04485	4.2
105.07036	12.9
107.04972	6.7
107.08588	12.6
109.02913	5.9
109.06529	4.3
109.10160	12.3
111.04448	2.3
111.08089	2.8
113.05999	2.2
115.03922	1.8
115.05453	3.8
117.07045	5.3
119.04963	5.1
119.08570	7.5
121.06481	7.8
121.10120	8.5
123.04423	100.0
123.08141	3.1
123.11679	6.9
125.06017	2.6
125.09698	2.1
127.03938	12.8
128.06258	4.6
129.07059	5.6
130.07855	3.9
131.04927	4.5
131.08582	5.3
133.06560	4.0
133.10153	5.9
135.04440	4.4
135.08089	4.1
135.11725	6.4
137.02342	1.7
137.05112	1.3
137.05975	8.0
137.09627	3.9
137.13251	1.8
139.03964	1.5
139.07651	2.8
141.06969	2.4
142.07787	2.8
143.08560	13.1
144.09477	1.6
145.05000	3.1
145.06487	4.0
145.10144	6.1
146.07326	1.9
147.04404	98.1
147.08099	4.4
147.11739	3.2
149.06017	1.9
149.09674	3.0
149.13300	4.0
151.03926	2.0
151.07578	4.8
153.01859	4.5
153.05510	6.1
155.07184	2.0
155.08597	4.0
157.10187	2.5
158.07240	6.9
159.04427	2.5
159.08125	4.6
159.11754	3.4
160.08922	1.9
161.06032	4.2
161.09605	16.1
161.13257	3.0
163.03934	1.8
163.07585	1.9
163.11267	2.3
165.05540	7.2
165.06952	1.6
167.07109	10.3
167.08527	2.8
168.07423	1.8
171.06618	2.3
171.08055	3.6
171.11742	2.0
172.08858	8.1
173.06070	4.7
173.09660	7.1
175.07594	3.7
175.11201	11.3
175.14816	1.7
177.05479	2.1
183.08098	4.2
184.08868	3.6
185.06027	3.5
187.11160	8.8
188.08287	8.7
189.05595	2.4
189.09088	9.2
189.12798	1.6
189.16489	1.5
190.09808	1.9
191.10670	28.4
191.14340	1.8
191.17979	1.8
193.08734	2.2
193.12230	2.8
195.08069	7.1
197.06052	1.7
199.07567	1.8
200.08379	5.1
201.09012	2.1
203.10667	33.0
211.07628	2.4
212.08301	11.5
213.09177	4.2
215.10663	47.2
216.81239	1.5
227.10677	47.9
228.11377	2.4
251.11067	1.6
268.07397	1.9
269.08246	3.2
293.07971	2.0
295.06079	2.1
307.09790	3.2
308.09991	2.3
309.07318	3.4
309.10562	5.0
320.06677	2.4
325.07062	2.8
335.09225	2.8
336.09488	2.7
337.07175	9.5
337.10510	17.2
337.14548	71.3
365.10217	2.5
379.11658	2.5
427.28397	3.1
445.33710	3.2
463.34399	5.5
465.76669	1.6
481.18890	1.7
481.35571	2.0
499.19922	97.2
500.19678	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
54.69204	0.7
55.01858	2.4
55.05499	1.3
57.03420	2.2
57.07070	0.8
61.02909	2.9
67.05490	2.0
68.99782	9.7
69.03429	8.8
69.07062	1.6
71.02562	2.0
71.04972	1.6
72.08128	1.0
73.02905	1.8
79.05472	2.2
81.03406	4.5
81.07050	13.0
83.04980	0.9
83.08604	0.8
84.56295	0.8
85.02420	1.2
85.02898	19.9
85.66380	0.7
87.04449	2.2
91.03952	1.2
91.05463	2.9
93.07038	5.6
95.04970	4.6
95.08575	2.9
97.02891	8.6
99.04450	2.1
103.05453	4.9
105.07016	1.8
107.04932	3.4
107.08595	1.8
109.02185	0.7
109.02873	3.0
109.10167	1.8
115.81788	0.7
119.08578	1.5
121.02857	0.8
121.06503	16.2
121.10126	0.9
123.04418	53.6
123.08101	0.9
123.11680	0.8
127.03898	6.6
131.04913	0.9
131.08545	1.6
133.10103	1.4
137.05876	0.6
143.08542	1.1
145.04948	3.2
145.10100	0.9
147.04349	1.8
147.11661	0.8
149.05968	100.0
150.06287	0.9
151.07484	0.8
153.01753	0.8
157.10144	1.2
158.07291	1.9
167.07146	1.0
167.08539	1.8
172.08841	1.5
173.09610	18.7
187.11127	1.7
189.09003	1.4
195.08078	3.0
196.08815	1.1
199.11095	1.0
201.09096	54.3
202.09439	3.3
209.09663	0.9
215.10666	10.6
227.10696	9.8
255.10214	0.8
267.21228	0.8
279.20193	0.7
283.06003	2.0
295.06076	1.4
309.07825	0.9
319.09695	1.3
324.06418	1.2
336.13809	0.8
337.07184	3.4
337.10614	18.1
337.14316	91.3
338.14746	1.5
339.08514	0.8
365.10266	0.8
379.11591	2.6
481.16772	1.0
499.13611	2.5
499.19644	4.1
499.30106	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1599
Annotation	CHEBI:66840
Peak:m/z	Relative Intensity
52.35105	0.4
53.03909	1.0
53.04140	0.5
55.01833	0.7
55.05505	2.3
57.03387	1.6
61.02871	1.2
67.05495	4.8
69.03423	5.5
69.07056	3.1
70.06568	0.7
71.04954	0.8
71.62840	0.7
72.08105	1.6
73.02872	0.9
79.05485	3.0
81.03416	2.2
81.07051	8.2
82.07383	0.8
83.04916	1.9
83.08582	0.7
84.08098	0.8
85.02899	7.3
85.06534	2.6
86.09668	0.6
87.04420	1.0
88.80247	0.4
90.19382	0.4
91.05470	3.6
93.07035	5.6
94.07349	0.7
95.04987	2.6
95.08608	7.0
96.08927	0.5
97.02891	5.2
97.06480	1.9
97.10121	1.1
99.04382	1.8
99.08065	0.7
101.02345	0.5
101.05979	0.7
101.19544	0.4
103.03876	0.7
105.07018	2.9
107.04897	1.7
107.08584	4.1
109.02821	1.8
109.06464	1.9
109.10152	4.9
111.04375	1.1
111.08004	1.7
113.05962	0.5
117.06972	0.6
119.04890	1.3
119.08579	3.2
121.02802	2.0
121.06436	1.7
121.10163	2.7
123.04382	1.7
123.08022	1.0
123.11689	2.4
125.05989	0.9
125.09559	0.9
127.03915	3.6
131.04895	0.7
131.08507	1.6
133.02827	0.5
133.10078	2.3
135.04410	0.8
135.08017	1.4
135.11609	2.0
136.12010	0.4
137.05986	2.6
137.09525	2.2
137.13191	0.9
139.03877	1.2
139.07484	1.8
141.05574	0.5
141.06856	0.6
141.09018	0.6
143.08522	1.0
145.02737	0.5
145.04904	0.8
145.06422	0.7
145.10034	1.6
147.04433	2.8
147.11676	2.3
149.05927	1.6
149.09581	1.1
149.13199	1.6
151.07491	1.6
151.11157	0.7
153.01825	2.5
153.05478	2.3
155.06984	0.5
157.10030	1.1
159.04381	0.5
159.11635	1.8
161.05952	0.6
161.13242	0.5
163.03741	0.6
163.07498	0.8
163.11197	0.8
163.14774	0.7
165.05473	0.7
165.09039	1.0
165.12630	0.8
167.07034	9.8
168.07416	3.3
169.04893	0.7
169.07481	0.6
169.10022	0.8
171.11494	0.7
173.02386	0.6
173.05838	0.5
175.07390	0.9
175.11163	1.1
175.14716	0.5
177.05414	0.6
179.10666	1.0
187.07500	0.6
189.09030	0.6
189.12691	0.6
191.07005	1.0
191.10617	0.6
193.04958	0.9
193.08603	0.9
193.12218	1.3
194.09000	0.6
195.08064	0.5
195.13785	0.8
203.10646	0.6
209.11728	0.7
211.13213	2.0
213.05409	0.6
213.09238	0.5
221.11749	0.5
231.08092	0.8
239.06918	1.1
245.15236	0.7
251.07030	1.6
253.17957	0.5
263.10834	0.5
266.09268	0.8
267.06488	7.8
269.08179	0.5
276.07687	0.9
277.08304	0.8
279.06403	1.5
281.08118	1.8
281.11563	1.1
283.06030	4.9
293.08130	0.5
295.06192	2.5
295.09177	0.6
297.07599	5.9
304.07187	1.1
305.08020	1.0
307.05978	12.0
307.09485	0.9
308.06686	0.7
309.07425	1.5
309.11191	1.6
319.09576	3.2
319.22638	0.6
321.07599	1.7
322.08334	8.5
325.06979	0.7
331.09500	0.7
335.09119	0.6
337.07309	3.5
337.10675	100.0
338.11075	0.9
339.08591	0.6
349.10626	2.8
361.10754	1.3
379.11710	3.8
427.28430	1.8
433.12656	0.9
445.29211	1.5
463.30795	1.7
481.31372	0.9
499.15982	72.2
500.16342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1593
Annotation	CHEBI:66840
Peak:m/z	Relative Intensity
53.03902	0.5
55.01823	0.4
55.05444	1.0
57.03376	0.4
61.02879	0.6
67.01817	0.3
67.05492	1.8
69.03358	2.4
69.06996	1.1
71.04933	0.4
71.63756	0.5
73.02866	0.4
79.05412	1.3
81.03413	1.6
81.07044	3.1
83.04890	0.9
83.08577	0.5
85.02892	3.0
85.06480	1.1
91.05388	1.3
93.07058	1.9
95.04888	1.1
95.08611	2.6
97.02883	1.5
97.06422	1.1
97.10122	0.5
99.04395	0.4
103.05430	0.4
105.06940	1.4
107.04877	0.6
107.08607	1.5
108.55307	0.3
109.02804	0.9
109.06442	0.7
109.10157	1.7
111.04372	0.5
111.08012	0.4
119.04887	0.6
119.08501	0.8
121.02828	1.6
121.06468	0.7
121.10072	1.0
123.04327	1.2
123.07987	0.4
123.11652	0.9
125.13236	0.3
127.03891	1.7
129.06879	0.5
131.08514	0.6
133.09996	0.9
135.04311	0.9
135.11630	0.6
137.05850	0.7
137.13217	0.4
139.03850	0.5
143.08443	0.4
145.10031	0.6
147.04367	0.8
147.11612	0.8
149.02318	0.4
149.05910	0.5
149.09642	0.5
151.03874	0.3
151.07492	0.8
153.01817	10.3
153.05472	0.6
159.11615	0.7
163.14760	0.4
165.05312	0.4
167.06978	1.3
169.06432	0.4
171.02832	1.0
171.06490	0.6
175.11076	0.5
183.07915	0.7
193.12076	0.4
195.02866	0.3
195.08081	0.4
203.03325	1.2
211.07452	1.2
239.06967	1.7
254.05551	0.7
255.06401	0.4
265.05011	0.4
267.06506	25.1
268.06705	0.4
269.08243	0.4
279.06595	0.7
281.07968	0.6
282.05203	0.8
283.06030	1.8
293.04477	0.6
295.06009	0.8
297.07547	53.1
298.07831	0.6
305.08130	0.5
307.05972	2.1
307.09241	0.5
309.07495	1.4
309.10989	0.6
311.05420	5.2
319.05981	0.4
319.09650	1.2
321.07532	1.0
322.04660	1.3
322.08401	2.1
323.05466	0.6
325.07059	0.7
337.07025	8.9
337.10651	100.0
338.10980	1.5
339.08679	1.3
349.10580	0.6
351.08710	0.8
363.08414	0.4
367.11789	1.9
377.06512	1.0
379.11786	2.2
385.49286	0.4
395.07770	0.4
407.07516	0.7
425.08618	0.5
427.32233	0.6
445.33334	0.8
451.13809	0.5
463.34482	1.9
481.14432	0.6
481.19629	0.6
499.16040	73.8
500.16373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05209	0.2
53.36286	0.2
55.01860	0.4
55.05490	1.2
56.25275	0.3
57.03431	0.5
61.01107	0.2
64.13330	0.2
67.05502	2.2
69.03429	1.7
69.07068	1.5
71.04972	0.4
71.61491	0.5
72.08144	0.3
79.05487	1.4
81.03398	1.3
81.07053	3.9
82.76842	0.2
83.04971	1.1
83.55568	0.3
85.02876	1.3
85.06527	1.2
91.05466	1.7
93.07030	1.7
95.04944	1.0
95.08603	3.0
97.02876	1.3
97.06503	0.8
97.10158	0.6
99.04440	0.4
105.07000	1.8
107.04932	0.9
107.08569	2.1
107.19603	0.3
109.02862	0.7
109.06483	0.8
109.10157	1.7
111.04469	0.5
111.08091	0.4
117.07018	0.3
119.04903	0.7
119.08581	1.0
121.02839	0.7
121.06475	1.1
121.10132	1.3
123.04410	1.1
123.08056	0.6
123.11708	1.1
125.05968	0.4
125.09592	0.5
125.61201	0.3
125.79880	0.3
127.03876	1.9
128.06174	0.3
129.06938	0.4
131.08562	0.8
133.10138	1.4
135.04420	0.7
135.08006	0.9
135.11658	0.9
137.05952	1.0
137.09608	0.7
137.13255	0.4
139.03889	0.5
139.07503	0.4
139.11124	0.3
141.05431	0.3
143.08553	0.4
145.04907	0.3
145.10095	1.1
147.04346	0.6
147.11658	0.8
149.05975	0.8
149.09576	0.8
149.13246	0.7
151.03947	0.3
151.07553	0.7
151.11192	0.4
153.01801	1.3
153.05414	1.1
155.07011	0.4
155.08577	0.3
157.06471	0.4
157.10092	0.3
159.04449	0.4
159.11674	0.9
161.09589	0.4
161.13339	0.3
163.03891	0.7
163.14807	0.5
165.06926	0.3
167.07027	1.8
169.06404	0.3
173.05954	0.4
173.09718	0.5
173.13252	0.6
175.03922	0.3
175.07520	0.3
175.11154	0.5
175.14903	0.3
177.01848	0.5
177.05481	0.5
177.09016	0.4
183.02892	0.3
183.08000	0.4
187.07541	0.6
187.11095	0.3
191.07007	0.4
197.05968	0.5
197.65288	0.3
201.05368	0.5
203.03421	0.9
205.12312	0.3
207.06400	0.3
211.07437	0.4
215.07240	0.3
233.15491	0.3
239.07059	0.9
245.09538	0.5
263.10602	0.4
267.06479	3.7
271.05923	0.8
276.07855	0.4
279.06531	0.4
281.07980	0.6
283.05994	12.9
291.10037	0.8
293.08243	0.3
294.05051	0.5
294.08594	0.3
295.06046	5.2
295.09586	0.9
297.07495	0.6
301.21133	0.4
307.06015	2.7
308.06879	2.5
309.07538	1.8
309.11148	0.8
311.05438	1.0
319.09506	4.0
321.07748	1.4
322.08334	4.0
325.07056	0.6
337.07162	5.9
337.10666	100.0
338.11044	1.6
339.08398	0.4
349.10678	0.6
355.08075	0.4
367.11444	0.4
432.51382	0.3
445.12805	0.4
445.28818	0.6
445.34042	0.4
463.13400	0.4
463.34402	0.7
481.14911	0.8
499.12845	2.7
499.20380	1.3
499.29144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01860	0.6
55.05498	0.3
57.03436	1.7
59.04979	0.5
61.02927	1.5
61.20610	0.2
64.09963	0.2
65.03925	0.4
67.05511	1.1
69.03427	7.3
69.03800	0.4
69.07049	0.9
69.51313	1.9
70.06572	0.2
71.01329	0.4
71.04965	0.6
72.08135	0.3
73.02909	1.4
79.05477	0.6
79.35666	0.2
81.03412	2.6
81.07050	1.9
81.49004	0.2
83.01332	0.3
83.04964	0.3
83.08611	0.3
85.02901	16.7
87.04450	0.8
90.85847	0.3
91.03940	0.6
91.05473	0.7
92.99735	0.2
93.07044	0.8
95.04975	0.4
95.08585	1.3
97.02894	4.9
97.06527	0.2
99.04448	1.1
101.02374	0.5
103.03947	0.6
105.06998	0.9
106.59533	0.2
107.04973	0.2
107.08576	0.7
109.02873	2.3
109.06506	0.4
109.10135	0.8
115.03885	0.5
117.06937	0.3
119.04977	0.4
119.08585	0.6
121.02882	0.6
121.06452	0.3
121.10126	0.5
123.11688	0.5
124.37225	0.2
127.03912	3.9
129.06947	0.4
131.08586	0.6
133.10138	0.3
135.04359	0.3
135.11649	0.3
137.05952	0.3
139.07561	0.3
145.02824	0.4
145.04950	1.2
145.06335	0.3
145.10002	0.3
147.04381	0.4
147.08105	0.3
147.11676	0.4
149.13263	0.4
151.07532	0.5
159.11694	0.4
161.13174	0.3
163.03862	0.6
165.01816	0.5
165.06911	0.3
165.85652	0.2
167.03445	0.3
167.07071	0.6
169.06427	0.2
171.06584	0.3
173.06050	0.2
175.07558	0.2
175.14825	0.2
177.01889	0.3
181.06975	0.2
182.31529	0.2
183.02928	0.5
183.08096	0.4
185.13158	0.2
187.07564	0.3
197.05946	0.4
211.07556	0.3
229.04877	0.5
234.54944	0.2
239.06999	0.7
245.09570	0.6
248.08315	0.3
252.47878	0.3
254.05682	0.3
255.06410	0.6
263.10696	0.4
267.06516	2.9
271.05997	0.4
277.08221	0.3
279.06555	0.9
281.08109	0.7
281.11533	0.2
283.05991	13.8
291.10049	0.8
293.08109	0.6
295.05991	5.1
295.09625	1.0
297.07559	0.5
301.08640	0.3
305.07901	0.3
307.06024	2.7
308.06836	2.5
308.10376	0.3
309.07556	1.5
309.11288	0.6
319.09622	4.5
321.07703	1.6
322.08286	4.0
325.07068	0.8
335.09167	0.6
337.10681	100.0
338.11084	1.5
339.08597	0.3
361.10623	1.0
379.11746	3.8
391.11841	0.3
403.11642	0.9
427.32410	0.3
445.33084	0.3
499.16010	3.1
499.29221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1594
Annotation	CHEBI:66840
Peak:m/z	Relative Intensity
53.03905	0.6
55.01855	0.5
55.05474	1.1
55.05719	0.4
57.03408	1.1
61.02880	0.9
67.05500	2.1
69.03427	4.1
69.07061	1.6
70.06550	0.4
71.01327	0.3
71.04973	0.8
71.62997	0.6
72.08116	0.6
73.02900	0.6
78.51591	0.3
79.05437	1.1
81.03370	1.3
81.07057	4.8
83.04946	0.7
83.08593	0.3
85.02902	5.4
85.06486	1.1
87.04404	0.9
91.05477	1.8
93.07043	2.7
95.04929	1.0
95.08600	3.5
97.02888	3.1
97.06480	0.9
97.10088	0.4
99.04433	0.7
101.02344	0.6
103.03878	0.3
105.07024	1.5
107.04879	0.9
107.08608	2.5
109.02824	1.1
109.06493	0.5
109.10139	2.3
111.04386	0.4
111.08054	0.7
112.12064	0.3
115.05428	0.4
117.06979	0.6
119.04906	0.7
119.08491	1.2
121.02811	1.0
121.06475	0.7
121.10100	1.3
123.04409	0.7
123.05313	0.3
123.08008	1.0
123.11637	1.1
125.05985	0.5
125.09617	0.3
127.03205	0.3
127.03916	2.9
129.06953	0.6
131.08517	0.6
131.54585	0.3
133.10097	1.2
135.04343	0.6
135.08066	0.4
135.11627	0.6
137.05925	1.3
137.09587	0.6
137.13232	0.5
139.07567	0.5
145.02818	0.5
145.06442	0.5
145.10091	0.8
147.04369	1.1
147.11623	0.7
148.04744	0.4
149.05963	0.6
149.09520	0.4
149.13228	0.5
151.07523	0.9
151.11195	0.3
153.01775	0.7
153.05443	0.8
155.06984	0.6
157.10063	0.6
158.09439	0.3
159.11639	1.0
161.09566	0.3
161.13188	0.6
163.03824	0.4
163.11200	0.3
165.06836	0.4
165.09077	0.3
167.07028	3.7
168.07317	1.2
171.06526	0.4
171.11691	0.4
175.07460	0.6
175.11183	0.6
177.05392	0.4
177.09084	0.3
177.16426	0.3
177.58749	0.3
179.07002	0.4
179.10617	0.3
179.17979	0.3
191.07030	0.5
191.14250	0.4
193.05000	0.5
201.05345	0.5
207.06491	0.3
211.07507	0.7
219.06520	0.6
219.17377	0.5
231.08104	0.6
239.07053	1.1
248.08032	0.4
251.06964	1.4
260.08270	0.4
265.04904	0.5
265.08591	0.4
266.09351	0.5
267.06503	8.5
276.07782	1.2
277.08603	0.5
279.06567	1.3
281.08072	1.7
281.11636	1.2
283.06012	5.9
291.06589	0.4
293.08148	0.4
294.05350	0.5
294.08698	0.6
295.05939	1.7
295.09131	0.3
297.07547	9.0
304.07324	1.6
305.08096	0.8
306.08716	0.5
307.06024	12.0
307.09311	0.5
308.06647	0.9
309.07553	1.4
309.11136	1.0
319.06049	0.5
319.09579	3.4
321.07574	2.1
322.04636	0.4
322.08328	9.5
337.07309	3.5
337.10675	100.0
338.11063	1.3
339.08643	0.7
352.09094	0.4
353.09998	0.4
361.10693	0.8
379.11871	4.2
391.11526	0.4
395.68243	0.4
427.32245	0.5
442.19980	0.4
445.33514	0.5
463.33948	0.9
481.34976	1.9
499.15964	81.9
500.16647	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	499.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34713	0.1
52.26704	0.1
54.46095	0.1
55.05500	0.3
58.91250	0.1
67.05499	0.7
69.03410	0.3
69.07032	0.2
69.34132	0.2
69.34486	1.4
71.52740	0.1
72.08142	0.1
79.05486	0.4
81.03386	0.3
81.07043	0.6
83.04968	0.3
85.02861	0.3
90.09873	0.1
91.05473	0.4
92.99757	0.2
93.07052	0.3
95.04964	0.3
95.08595	0.5
97.02869	0.2
98.21555	0.2
99.04382	0.1
105.07010	0.4
107.04944	0.3
107.08581	0.5
109.02920	0.2
109.06496	0.2
109.10147	0.4
115.15984	0.1
117.07010	0.2
119.04937	0.3
119.08581	0.3
121.02853	0.5
121.10106	0.3
123.04405	0.1
123.08074	0.2
127.03910	0.3
133.02858	0.2
133.10114	0.2
135.04453	0.3
135.08073	0.1
135.11694	0.1
137.05969	0.2
139.07439	0.1
139.11134	0.1
141.01807	0.3
143.08533	0.2
145.02788	0.4
145.06552	0.2
145.10092	0.2
147.04410	0.3
149.02307	0.1
151.07520	0.3
153.01733	0.2
153.05537	0.2
161.02266	0.1
161.13301	0.1
163.03839	0.2
165.01857	0.3
165.06961	0.1
165.09204	0.2
167.03381	0.2
167.07019	0.2
176.19969	0.2
177.01733	0.3
179.10608	0.1
183.02904	0.3
183.07993	0.3
187.03891	0.2
191.03462	0.2
191.07034	0.2
197.05925	0.3
201.05472	0.4
202.07774	0.3
210.06667	0.1
211.07526	0.3
212.14624	0.1
219.06412	0.2
220.08792	0.2
229.04921	0.4
231.08032	0.2
235.11090	0.2
239.07013	0.8
245.09619	0.5
248.08359	0.3
253.08534	0.2
255.06471	0.4
263.10760	0.4
267.06491	3.4
271.05942	0.5
273.03860	0.2
276.07886	0.4
279.06537	0.7
280.07263	0.2
281.08066	0.6
281.11343	0.2
283.05981	15.2
291.10175	0.5
293.08051	0.3
294.05444	0.3
294.08743	0.2
295.05984	5.0
295.09561	1.1
297.07544	0.5
304.07303	0.2
305.07724	0.2
307.06015	2.0
308.06766	2.7
309.07510	1.6
309.11237	0.8
319.09601	4.5
321.07593	1.3
322.08331	3.7
337.10654	100.0
338.11029	1.4
427.28201	0.1
431.59576	0.1
445.30017	0.1
499.16125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
55.01875	0.2
55.05493	0.3
65.03914	0.2
67.05487	0.8
69.03403	0.5
69.07091	0.2
69.36426	0.5
69.36834	1.7
70.06564	0.3
71.05003	0.2
72.08134	0.9
76.98548	0.2
79.05476	0.5
81.03385	0.3
81.07036	0.6
84.08126	0.2
85.02908	0.3
85.06541	0.2
91.05463	0.5
93.07007	0.6
95.04977	0.2
95.08587	0.6
97.02902	0.2
98.20794	0.4
105.06992	0.3
107.04937	0.3
107.08569	0.6
109.06484	0.4
109.10173	0.2
110.02402	0.3
117.06979	0.2
119.04913	0.4
121.02860	0.7
121.10110	0.4
125.09648	0.2
127.03900	0.3
129.07019	0.4
131.04930	0.2
131.08514	0.2
131.19728	0.2
133.10095	0.5
135.04413	0.2
135.08043	0.3
135.11678	0.2
137.05956	0.3
137.09593	0.3
145.02843	0.3
145.06462	0.4
145.10091	0.2
147.04428	0.5
151.07465	0.3
152.07010	0.3
153.05460	0.3
157.06461	0.2
163.03925	0.3
165.01834	0.3
167.07004	0.2
169.09743	0.2
173.05995	0.2
177.01816	0.3
183.01071	0.2
183.02867	0.3
183.08113	0.2
187.07440	0.2
197.05943	0.3
201.05487	0.4
207.06430	0.3
211.07516	0.2
220.08835	0.2
229.04889	0.3
239.06992	0.7
245.09546	0.4
248.08200	0.2
253.08574	0.3
255.06586	0.4
263.10760	0.5
267.06494	3.1
271.06046	0.7
279.06476	0.6
280.07019	0.2
281.07965	0.6
281.11682	0.3
283.05978	15.2
291.10135	0.6
293.08057	0.3
294.05121	0.3
295.05994	5.6
295.09595	1.3
297.07541	0.6
304.07123	0.4
307.05942	2.1
308.06732	3.2
309.07516	1.8
309.11142	0.7
319.09601	4.7
321.07544	1.5
322.08319	4.1
337.10654	100.0
338.11057	1.2
455.21774	0.3
498.29767	0.2
499.14835	0.4
499.20584	1.0
499.28189	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	499.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62999	0.1
52.98531	0.1
53.03836	0.1
53.04053	0.1
55.01760	0.1
55.05367	0.2
55.05643	0.2
57.03307	0.2
57.03545	0.2
61.02791	0.1
61.03053	0.2
65.35884	0.1
65.87282	0.1
67.05290	0.2
67.05664	0.4
69.03194	0.2
69.03604	0.6
69.07213	0.2
70.74479	0.4
71.04800	0.1
71.05120	0.2
72.08312	0.1
79.05676	0.4
81.03099	0.2
81.03601	0.5
81.06720	0.4
81.07248	1.0
82.07516	0.1
83.04703	0.2
83.05157	0.3
83.08765	0.1
84.07826	0.1
84.08294	0.2
85.02545	0.3
85.03096	1.0
85.06236	0.3
85.06719	0.3
89.04048	0.3
91.05698	0.4
92.99968	0.1
93.06615	0.3
93.07239	1.0
95.05155	0.5
95.08815	0.8
97.03107	0.5
97.06682	0.3
97.10290	0.2
99.04594	0.2
99.08262	0.2
105.07243	0.7
107.05176	0.6
107.08799	0.7
109.03062	0.3
109.06686	0.3
109.10377	0.8
111.04588	0.2
111.07608	0.2
111.08250	0.3
115.05647	0.1
116.18626	0.1
117.02797	0.1
117.03555	0.2
119.05145	0.4
119.08823	0.7
121.03014	0.3
121.06660	0.2
121.10389	0.5
123.04622	0.3
123.08262	0.2
123.11124	0.1
123.11910	0.3
125.06155	0.1
125.09746	0.1
127.04150	0.6
131.05138	0.1
131.08690	0.3
133.10385	0.5
135.04651	1.0
135.08217	0.3
135.11861	0.3
137.06223	0.5
137.09816	0.3
139.07687	0.2
143.08775	0.2
145.06721	0.2
145.10237	0.2
147.04642	0.6
147.11909	0.6
149.09747	0.2
149.13446	0.3
151.04034	0.2
151.07678	0.3
153.02055	0.4
153.05659	0.3
153.09306	0.2
157.10339	0.2
159.04434	0.9
159.08305	0.1
159.11868	0.4
161.13419	0.2
163.04126	0.2
163.11348	0.2
167.07239	0.5
171.04576	0.2
173.13373	0.1
175.04118	0.3
177.05614	0.3
179.03557	0.3
179.08754	0.2
179.10765	0.2
181.12309	0.2
187.04022	0.2
191.10802	0.2
193.12488	0.4
202.02788	0.2
203.01579	0.2
203.03374	7.1
204.03856	0.2
207.08234	0.2
207.10146	0.2
211.07677	0.2
211.13351	0.2
221.04417	2.1
225.09248	0.2
229.05057	0.3
229.14517	0.2
235.07692	0.5
235.18213	0.2
237.09189	0.2
239.07167	0.4
248.08575	0.1
251.07040	0.2
253.08681	0.6
263.07123	1.1
264.07867	0.2
265.08771	0.2
266.05804	0.2
267.06494	1.3
276.07907	0.1
279.06653	0.4
281.08078	1.3
281.10825	0.1
283.05902	1.1
291.06430	1.3
291.09406	0.2
292.07147	0.1
293.08002	0.4
294.05173	0.3
294.08234	0.1
295.05807	0.6
296.06357	0.1
297.07574	0.8
305.08035	0.2
307.06110	1.8
307.09561	0.3
308.06754	0.5
308.09991	0.4
309.07495	1.1
309.10773	0.5
319.06064	1.2
319.09656	0.5
319.22687	0.2
320.06650	0.2
321.07391	0.5
322.08261	1.4
331.09833	0.2
335.08908	1.0
336.05972	1.4
336.09851	1.0
337.07013	100.0
337.10623	13.0
338.07388	2.1
338.11005	0.2
339.08521	0.2
345.53143	0.1
349.10785	0.2
379.11465	0.4
427.27921	0.3
445.28979	0.3
448.48218	0.1
463.30649	0.3
499.11850	47.8
500.12552	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17075	0.2
55.05489	0.4
62.13475	0.2
65.59121	0.2
67.05492	0.9
69.03393	0.4
69.07034	0.5
71.04984	0.3
71.63657	0.2
71.64063	0.2
79.05458	0.6
81.03387	0.4
81.07036	1.5
83.08566	0.3
85.02857	0.6
85.06509	0.4
89.03877	0.4
91.05457	0.7
93.06989	0.7
95.04942	0.3
95.08590	1.1
97.02865	0.5
97.10133	0.2
99.04431	0.2
105.06989	0.6
107.04928	0.6
107.08556	0.5
109.02827	0.2
109.06473	0.4
109.10100	0.7
111.04350	0.2
119.08540	0.6
121.06452	0.5
121.10050	0.4
123.04371	0.3
123.08046	0.2
123.11668	0.3
127.03927	1.2
131.08510	0.2
133.10135	0.3
135.04369	0.9
135.11713	0.3
137.02333	0.2
137.05916	0.5
139.03809	0.2
147.04373	0.6
147.11713	0.3
151.07527	0.4
153.01793	1.8
157.48212	0.2
159.04372	1.0
159.11594	0.2
160.68175	0.2
163.03818	0.3
165.06931	0.2
167.06992	0.5
171.06564	0.2
173.09549	0.2
173.13239	0.2
175.03981	0.2
176.11591	0.2
179.03299	0.3
187.03915	0.3
191.10674	0.2
203.03362	6.3
203.17906	0.2
210.26204	0.2
221.04388	1.5
235.07475	0.5
237.05261	0.2
253.05164	0.2
253.08609	0.6
257.02066	0.2
263.06967	0.8
267.06735	0.2
279.06442	0.4
280.07428	0.2
281.04852	0.2
281.07938	0.9
283.05966	0.4
291.06396	1.2
294.05078	0.3
295.05930	0.5
300.89600	0.2
307.06094	0.2
308.06866	0.3
309.07477	1.3
319.06152	1.2
321.07373	0.2
322.04675	1.0
325.07095	0.2
327.08044	0.2
336.06146	1.4
337.07010	100.0
337.10379	3.8
338.07373	2.2
339.08566	0.2
445.33429	0.3
463.17462	0.2
463.33878	0.4
481.15445	0.2
498.39572	0.3
499.12277	47.7
500.12518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32611	1.3
60.08478	1.3
60.42216	1.2
69.03396	1.5
70.06585	3.5
70.20206	5.6
72.08149	42.9
74.06049	2.4
77.00897	1.4
82.40473	1.3
82.99851	2.5
84.08098	1.3
85.02874	4.3
89.10785	3.7
92.07104	3.8
94.99817	1.6
97.02909	2.6
98.06010	1.7
98.97597	2.6
101.00858	7.3
103.02462	2.9
109.02886	1.5
110.02390	11.1
113.00854	1.8
115.08710	1.4
116.98687	1.4
117.03352	1.7
119.01913	31.6
119.04932	3.6
121.03521	2.5
127.02380	6.7
127.03860	1.3
129.04053	1.7
131.01918	16.0
133.03473	2.3
137.02927	5.9
139.02402	1.9
141.09464	1.3
143.01880	20.7
145.03499	50.7
147.01401	2.6
147.04379	16.3
148.04808	1.3
149.02931	3.6
151.08713	2.0
152.07042	13.8
155.01868	20.0
157.03458	18.4
161.02951	28.4
162.03044	2.0
163.04422	6.6
167.01845	7.2
168.05034	2.1
169.03461	4.3
169.09753	10.3
171.01350	4.9
171.05023	4.8
173.02942	56.3
175.04564	6.3
175.82062	1.4
177.05472	15.3
179.01907	2.5
185.02939	50.9
187.04523	5.3
189.02408	7.3
191.03964	3.4
196.04550	2.5
197.02933	19.7
199.00847	2.8
199.04433	3.7
201.02565	1.5
201.06155	1.9
203.03964	16.0
204.04126	1.4
207.06517	2.7
207.41222	1.3
209.03008	5.0
215.04018	11.9
217.01923	49.9
217.05399	2.4
217.13387	3.0
218.11670	4.0
221.05109	5.4
227.03992	10.7
229.01875	10.1
235.02954	25.4
235.14284	2.0
236.84482	1.7
239.03900	2.4
245.05049	100.0
246.05144	2.3
247.02882	11.0
247.06693	3.7
253.04082	3.7
257.05075	13.0
258.04712	2.4
263.06137	13.1
265.04126	4.8
265.15659	1.9
269.05069	1.7
271.02954	1.6
275.06064	14.1
277.04001	21.5
286.07800	2.2
291.08923	1.5
293.07233	3.4
293.15988	2.1
295.05399	1.4
301.03949	9.2
305.07162	12.2
319.05060	28.2
319.08636	2.5
321.10339	2.7
335.08350	6.1
337.06113	40.7
365.09317	16.7
383.10007	1.4
411.19281	7.2
445.19580	4.3
463.20407	4.3
463.26578	1.6
481.21158	1.9
481.28049	1.5
499.14328	94.0
499.29269	26.1
500.13901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01873	3.4
56.96559	16.9
57.03432	3.0
61.02905	2.5
61.82370	1.4
64.83601	1.4
65.47719	1.4
69.03424	18.3
70.06580	7.7
71.05000	2.2
72.08150	49.7
73.02917	6.7
81.03401	6.6
82.99908	1.9
84.08143	6.5
84.96030	6.9
85.02900	28.3
86.09702	2.8
87.04464	3.8
89.03893	2.1
89.10797	5.9
91.05486	2.8
95.01872	1.4
96.08125	3.0
97.02879	15.8
98.02428	1.4
98.06029	3.2
98.09689	2.2
98.97575	29.8
99.04459	2.8
101.00887	5.3
103.02417	3.1
107.04986	1.6
109.02873	5.9
110.02396	11.2
110.97570	7.3
112.99122	2.0
116.07112	1.5
116.98611	28.9
117.03378	2.8
119.01904	31.1
119.04916	7.4
121.03506	2.0
127.02449	3.3
127.03900	13.0
128.07207	1.7
128.98622	12.5
129.01932	1.7
129.04007	1.6
130.06601	2.5
131.00160	3.6
131.01881	13.2
133.03503	2.3
133.06386	2.0
133.10040	2.0
134.99657	20.2
135.04402	2.8
136.07570	3.4
137.02933	5.9
138.05530	2.3
139.02429	1.7
140.07043	5.3
140.98653	2.6
143.00166	4.9
143.01883	15.5
145.03551	45.1
145.04964	5.3
146.08038	2.2
146.99632	17.5
147.01344	3.5
147.04379	36.8
148.04735	4.4
149.01228	5.8
149.02931	4.6
151.08723	2.1
152.07066	15.1
152.98538	1.9
153.00661	2.0
155.01868	19.8
156.98106	3.2
157.03456	16.4
158.06082	1.6
158.99635	17.3
161.01244	13.2
161.02957	32.9
161.05975	2.9
162.99147	1.7
163.03963	16.5
165.00748	4.1
167.01912	8.3
167.07047	5.1
169.03427	4.7
169.09734	6.8
170.08011	1.8
170.99663	11.9
171.01367	6.4
171.05026	3.3
173.01353	4.5
173.02942	53.5
174.03256	1.9
174.57802	1.9
174.99171	13.0
175.02641	1.5
175.04506	5.3
177.00728	21.5
177.05469	18.5
179.02147	5.9
179.06995	2.4
180.05020	1.9
182.99637	3.5
184.02969	3.0
184.04585	1.8
185.02951	45.7
186.03157	1.6
187.03065	1.8
187.04474	7.9
189.00719	20.1
189.02457	6.1
189.05978	1.8
191.02295	5.6
191.04031	4.8
193.00185	25.4
195.01801	3.0
196.04550	3.6
197.02977	15.1
199.00804	2.4
199.04477	2.5
200.04477	2.8
201.00720	32.9
201.02550	3.4
202.01147	1.6
203.02234	3.3
203.03990	18.2
207.01794	3.4
208.04529	2.1
209.02913	3.2
211.01213	2.9
211.04710	2.5
213.00700	1.8
215.03922	13.8
217.00153	7.4
217.01961	40.3
217.05489	3.8
218.11786	6.2
219.01768	30.8
221.03175	2.6
221.05133	5.0
227.04076	9.3
229.01886	8.4
229.05537	2.0
231.01822	3.9
235.01152	4.8
235.03120	20.7
235.14368	4.3
237.02843	20.5
242.03270	2.9
243.01764	11.5
245.05060	100.0
246.05296	1.8
247.03017	8.6
247.06816	2.8
248.12880	3.0
251.04448	3.9
253.03923	2.4
257.05161	12.9
258.04617	3.1
259.07559	2.1
261.02786	41.2
263.06119	15.0
265.15591	3.7
269.05371	11.0
272.06613	2.2
273.02646	2.3
273.08096	1.7
275.06033	12.0
277.04126	18.3
279.03854	26.5
281.07004	5.5
286.07593	3.6
287.06516	5.7
291.03693	9.4
293.05038	2.5
293.07498	2.3
296.07449	2.5
301.04178	7.6
302.05408	4.2
304.08792	6.2
304.11902	2.0
305.01901	2.1
305.07202	11.7
307.08878	2.3
310.96912	1.9
311.06494	5.9
313.12259	5.7
319.05362	20.0
321.04984	24.5
327.60956	1.8
328.09927	11.8
328.60953	3.9
333.04858	3.6
335.08185	5.9
337.06293	31.9
351.06006	6.5
351.11182	3.2
365.04498	3.7
365.09238	12.4
379.05313	3.3
381.07101	4.5
394.14816	2.3
397.06381	2.3
399.08276	5.6
411.19086	6.8
481.09222	5.4
481.17920	3.3
481.28262	3.0
482.26157	2.9
499.11621	42.9
499.29324	31.1
500.12195	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	498.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21098	1.8
53.03944	3.1
55.01857	3.7
55.05514	15.5
57.03434	16.4
57.07050	2.3
61.02924	26.9
62.03254	2.5
64.77510	2.1
65.03931	4.1
67.05501	63.2
68.05820	7.5
69.03424	16.4
69.07064	15.0
70.03768	2.8
70.84406	4.4
70.84746	2.2
71.04997	5.5
72.08118	2.6
73.02913	14.2
74.03273	2.6
79.05488	41.2
80.05807	4.8
81.03421	7.7
81.07056	62.0
82.07378	6.4
83.04968	5.9
83.08622	12.5
85.02902	28.4
85.06540	3.6
91.03942	19.1
91.05479	27.4
92.04283	2.4
92.05817	4.8
93.07039	51.9
94.07369	7.0
95.04954	9.0
95.08602	43.6
96.08910	5.0
97.02879	21.6
97.06516	7.9
97.10130	2.6
98.03236	3.3
99.04417	3.7
99.08089	2.2
101.02363	8.1
103.03901	3.4
105.07027	17.8
107.08585	25.6
108.08900	3.2
109.02877	4.9
109.06512	2.6
109.10160	12.2
110.10484	3.5
111.04442	1.9
111.08024	2.6
115.03922	3.1
117.07001	10.1
119.08578	14.8
120.08937	3.7
121.10129	17.4
122.10470	2.2
123.08025	4.3
123.11710	7.6
124.12119	2.5
124.13181	2.1
125.09624	2.0
127.03908	9.1
129.07013	4.2
131.08554	18.5
132.08934	3.3
133.10112	11.6
134.10489	2.9
135.08026	3.3
135.11655	9.7
143.08574	4.9
145.10126	6.9
146.10426	3.1
147.11656	4.3
149.09605	3.2
149.13269	13.7
150.13614	2.4
157.10121	2.5
159.11685	12.0
159.99103	2.0
160.12016	2.4
161.13260	3.7
163.14830	2.9
171.11642	2.6
173.13222	3.2
177.12712	4.0
195.13821	7.0
205.06827	2.2
237.54718	2.0
262.22495	5.5
269.17438	42.7
335.25735	7.7
336.26151	25.3
341.32480	2.2
343.26196	2.5
353.24631	2.6
371.25629	5.6
389.26682	2.5
444.05899	2.2
445.29340	14.4
463.30518	100.0
464.30936	2.1
498.31012	8.2
524.82520	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	498.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73589	1.1
53.03920	1.2
55.05508	8.6
57.03418	5.3
57.07064	1.2
60.63706	1.1
63.70833	1.1
64.93150	1.0
67.05499	32.0
69.07056	11.9
70.44514	3.6
71.04962	2.1
74.09700	2.1
76.19741	1.2
79.05482	20.5
81.03397	2.3
81.06582	2.4
81.07049	45.2
83.04968	3.7
83.08620	9.5
85.06524	2.1
91.05470	16.3
93.07040	30.7
94.91322	1.2
95.04935	4.3
95.08602	15.6
97.06532	5.9
97.10139	1.1
98.20811	1.5
99.08108	1.7
101.16026	1.1
105.07009	10.3
105.92253	1.2
107.08579	16.1
109.06533	3.1
109.10105	4.1
111.08044	3.2
117.06997	7.2
119.08545	4.8
121.10120	9.0
123.08032	2.0
123.11715	2.5
129.06952	2.1
131.08546	8.8
133.10132	10.7
135.07997	1.8
135.11670	7.5
135.12541	1.2
139.11115	1.4
143.08530	2.1
145.10123	2.2
147.11700	3.2
149.13252	12.4
153.09135	1.1
155.08566	1.4
157.10225	2.9
159.11700	7.7
166.86983	1.0
169.10101	1.4
171.11613	2.0
177.12689	2.7
185.13245	1.5
195.13753	7.9
251.16316	2.7
269.17453	54.4
271.35922	1.1
304.78827	1.2
337.27243	1.5
348.25592	1.2
371.25781	3.9
389.27063	1.4
393.54578	1.3
445.29364	11.9
463.30505	100.0
464.30847	2.1
481.31195	2.6
499.20834	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17870	1.6
53.03935	8.1
55.01860	8.0
55.05503	27.3
57.03432	34.3
57.07063	4.4
59.05000	1.6
59.28042	1.6
61.02919	54.8
63.21951	1.8
65.03924	4.6
67.05499	93.1
69.03423	44.9
69.07061	21.5
71.01350	9.5
71.04986	9.1
71.08616	1.7
71.62920	1.7
73.02913	26.6
75.04476	2.6
77.26130	1.4
79.05487	54.5
81.03415	26.3
81.07050	100.0
81.77269	1.6
83.04965	11.6
83.08617	15.2
85.02897	61.7
85.06528	3.4
87.04455	5.3
91.03951	37.1
91.05469	46.5
93.06557	0.9
93.07036	69.5
95.04958	15.1
95.08598	75.5
97.02879	48.4
97.06511	8.6
97.10168	5.0
99.04438	15.3
99.08036	2.3
101.02377	8.0
103.03937	12.5
105.07018	40.8
107.04960	4.4
107.08584	41.9
109.02869	10.1
109.06501	6.0
109.10151	37.2
111.04431	4.3
111.08049	4.5
111.11743	1.7
115.03919	5.6
115.05431	2.4
117.05553	2.1
117.07010	20.9
119.04951	1.6
119.08568	28.7
121.06542	2.5
121.10130	35.0
123.04370	3.0
123.08069	4.9
123.11690	15.4
125.09615	3.4
127.03909	20.3
128.06245	1.9
129.05489	7.4
129.07004	7.8
131.08556	29.2
133.06459	3.5
133.10124	24.7
135.08041	4.8
135.11681	22.1
137.05959	2.3
137.09610	2.9
137.13229	4.4
139.11177	2.3
141.06967	3.0
142.07755	2.2
143.08566	8.2
145.04956	8.6
145.06519	2.2
145.10092	21.4
147.08069	4.5
147.11664	19.6
149.09637	4.3
149.13274	13.3
151.11189	2.0
153.09126	2.3
155.08546	3.3
157.10123	6.6
159.06508	1.8
159.11668	15.9
161.09604	4.9
161.13240	11.3
163.07426	1.4
163.11194	4.1
163.14822	5.2
167.08635	2.0
169.10094	3.6
171.11673	6.4
173.09654	2.9
173.13249	14.8
175.07544	1.6
175.11166	4.2
175.14804	4.8
177.12685	3.7
177.16386	2.1
179.14299	2.6
181.10100	1.7
183.06493	4.6
183.11636	4.7
185.09639	3.0
185.13254	6.3
187.11153	3.0
187.14825	8.5
189.12682	2.5
189.16405	3.4
193.12299	2.2
195.11638	2.6
197.04338	2.5
197.13248	3.7
199.11252	1.9
199.14827	4.1
201.07607	3.6
201.12755	2.9
201.16402	2.9
203.14249	3.0
205.15952	2.4
209.13200	2.1
211.14894	2.8
213.12764	2.0
213.16467	1.9
225.16423	1.9
243.21062	7.3
251.20256	1.7
256.19394	1.8
256.80362	1.8
259.20584	6.5
261.22153	21.2
273.22244	3.5
275.20016	3.1
277.21634	3.2
285.22104	2.6
289.21594	2.6
301.21564	6.9
303.23102	5.3
315.23340	2.3
317.24521	2.7
319.22525	3.1
327.23141	3.5
335.25766	75.3
341.24554	2.4
345.24277	3.7
350.69083	1.6
351.22852	3.9
357.24011	2.3
358.16452	3.5
359.26001	2.6
363.25143	3.8
369.24344	8.3
375.25375	3.0
377.26901	2.8
387.25211	5.6
401.26907	2.7
405.26321	4.1
431.28656	1.9
443.28012	6.9
461.28876	11.8
479.29684	10.6
497.14948	2.5
497.30905	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	497.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86998	0.2
51.02401	0.3
53.03934	0.3
54.43829	0.2
55.01858	0.3
55.05505	0.7
56.96550	0.3
57.03428	0.6
58.06590	0.3
59.06110	0.7
60.04523	0.5
60.05644	0.3
65.03931	0.4
65.58884	0.3
68.17057	0.2
68.99787	0.3
69.03429	1.5
69.07048	0.5
70.06591	1.1
71.04994	0.3
71.61611	0.4
72.08151	23.7
73.02929	0.3
74.10001	0.3
81.03419	1.5
84.08143	1.7
85.02896	2.4
86.09695	2.0
87.12054	0.2
89.10245	0.5
89.10786	7.9
91.05476	6.3
93.07072	0.3
94.06551	0.4
95.04984	0.4
97.02879	1.5
97.06526	0.4
98.06050	0.8
98.09702	0.3
99.04470	0.4
99.09222	0.8
100.07603	2.0
100.08647	0.3
101.06011	0.7
101.07131	0.6
105.07026	0.4
107.04946	0.5
109.02863	1.4
110.02386	1.0
110.07194	0.3
115.08680	0.6
117.10246	4.4
119.04939	19.1
120.05221	0.5
121.02882	0.3
121.06537	0.4
122.06037	0.3
124.07573	0.5
127.03928	1.5
128.10686	0.5
129.11102	0.3
131.04878	0.3
133.06429	0.3
134.05997	0.4
137.02223	0.3
137.05951	0.6
138.02626	0.3
138.05473	0.5
139.03888	0.4
140.07042	0.4
145.04849	0.3
147.04398	100.0
148.04753	1.1
152.07108	0.4
161.05940	0.3
162.05498	2.4
162.09154	1.1
163.03912	0.4
163.05826	1.0
164.05943	0.6
164.07164	0.4
165.05566	0.2
167.07063	0.3
169.09830	0.5
177.05478	0.3
178.04959	0.4
180.10176	1.0
183.11316	0.3
206.04469	0.5
207.06485	0.6
208.09583	1.7
218.11737	13.9
235.14388	15.4
237.02757	0.3
249.16006	0.7
254.06593	0.5
261.12225	0.4
263.13901	2.4
272.07443	0.3
287.10229	0.6
290.15787	0.4
291.16528	0.3
292.16333	0.3
293.08508	0.3
317.11353	0.4
381.17899	0.9
388.59790	0.3
395.19672	0.3
453.21506	2.5
461.15118	0.4
469.27829	0.4
479.16788	1.5
480.14594	0.6
480.24615	0.8
497.20642	3.3
497.27365	31.5
498.27460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.4
57.03423	0.3
57.07070	0.7
58.06361	0.2
58.06614	0.4
59.07370	0.2
60.08157	5.9
61.57878	0.1
67.05500	0.4
70.06602	0.2
71.07368	2.8
71.08633	0.4
79.05457	0.2
81.07047	0.5
83.08609	0.2
85.10151	0.2
86.09697	27.8
91.05453	0.2
95.08600	0.6
98.20713	0.3
98.98449	2.5
104.10735	2.4
109.10123	0.2
119.08566	0.3
124.99990	18.1
133.37936	0.1
143.01028	0.4
149.87030	0.1
166.02641	0.2
173.62593	0.2
184.07321	100.0
185.07635	0.7
258.11130	0.2
313.27405	0.3
338.23666	0.2
357.97021	0.1
414.65198	0.2
478.32956	1.3
496.34164	3.6
497.35480	0.2
509.58722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
53.59320	0.3
55.01841	1.2
55.05510	2.1
57.03434	1.9
57.03647	0.4
57.07038	1.2
61.02916	2.1
62.50413	0.4
65.03923	0.8
67.05499	4.6
69.03425	8.7
69.07063	4.2
70.23279	1.6
71.01305	0.4
71.04950	1.0
72.08131	0.5
73.02872	1.2
79.05488	3.0
81.03419	3.8
81.07053	9.7
81.32801	0.3
82.07333	0.4
83.01323	0.6
83.04977	2.0
83.08607	1.9
85.02901	12.7
85.06139	0.3
85.06538	2.7
86.09636	0.3
87.04427	1.5
88.18015	0.3
91.05473	3.4
92.99754	2.4
93.06471	0.5
93.07033	6.7
95.04984	2.0
95.08598	7.4
97.02887	5.7
97.06516	1.6
97.10126	0.8
99.04432	1.2
99.08092	0.8
99.69176	0.3
101.02345	0.6
103.03908	0.8
103.05444	0.3
105.03390	0.8
105.07027	4.4
107.04958	2.3
107.08591	4.3
109.02878	2.2
109.06479	1.5
109.10146	4.5
111.04445	1.6
111.08032	1.1
111.11715	0.6
113.05946	0.5
113.97493	0.3
115.05420	0.7
117.06999	1.2
119.04935	1.6
119.08553	2.2
121.02866	2.4
121.06515	1.8
121.10131	3.0
122.06742	0.4
123.04391	1.3
123.08030	1.3
123.11704	3.2
124.07594	0.3
125.05944	1.3
125.09629	0.5
127.03923	3.8
128.06181	0.9
129.07021	2.6
131.04881	1.2
131.08498	1.0
133.02812	0.5
133.06494	1.6
133.10110	1.9
135.04410	2.9
135.08043	1.1
135.11691	1.7
137.05948	2.3
137.09566	0.6
137.13208	0.4
139.03928	1.7
139.07538	1.9
141.05415	0.7
143.08499	0.6
145.02818	0.8
145.04959	0.7
145.06464	1.1
145.10115	1.7
147.04416	1.8
147.07991	0.5
147.11661	1.7
148.11975	0.4
149.05937	1.3
149.09596	0.6
149.13249	2.0
151.07541	1.8
151.11176	0.6
153.05458	2.9
155.04875	2.5
155.06999	0.4
155.08685	0.3
157.06499	3.6
157.10069	0.7
158.07191	0.3
159.08066	0.5
159.11646	1.0
161.02348	0.9
161.05939	0.9
161.09575	0.5
161.13272	0.8
163.03923	1.8
163.07472	0.5
163.11142	1.4
163.14801	0.9
165.05499	3.0
165.06767	0.7
165.09085	0.9
166.06213	0.8
167.07039	13.8
167.08440	0.5
167.10611	0.6
168.07362	0.6
171.04340	1.3
171.06528	2.5
173.05963	0.9
173.09593	0.8
173.13239	0.5
175.03937	0.4
175.07480	0.8
175.11166	0.7
175.14774	0.4
177.05490	0.5
177.16357	0.6
179.10567	0.6
180.09267	0.5
181.05020	0.5
181.06503	0.9
181.08545	0.4
181.10017	0.4
181.12222	0.6
181.49136	0.3
183.06529	1.2
183.08012	0.6
185.05977	5.0
185.09579	0.4
187.14760	0.7
189.05428	2.6
189.08992	0.6
190.07748	0.9
191.10638	1.1
193.05058	0.4
193.12248	0.4
194.07339	0.8
195.08018	1.7
195.09958	0.5
199.03879	0.6
199.11076	0.4
202.07600	0.4
203.06960	0.5
203.08687	0.4
203.14211	0.4
205.10152	0.7
205.11980	0.6
205.19522	0.4
207.06419	0.5
207.10092	0.8
208.08826	1.3
209.09642	0.5
209.11600	0.4
210.06749	0.7
211.07455	0.4
213.05463	1.7
215.08678	1.6
215.10526	0.6
217.04962	1.6
217.08594	0.7
218.07199	1.8
219.08083	0.9
221.11678	1.5
222.06729	0.6
223.07536	0.8
223.11220	0.8
231.08080	0.6
233.09625	1.9
235.07564	0.9
236.08347	2.0
237.09076	0.7
239.12718	1.8
247.07451	0.5
251.06830	0.5
251.08031	0.5
251.10640	6.0
251.12950	0.7
254.05701	1.0
255.06488	0.9
261.09076	1.7
263.07004	1.0
264.07919	1.1
267.06558	2.8
270.05380	0.4
271.16904	0.4
273.03922	4.0
275.07120	0.5
275.16357	0.4
279.10107	4.8
289.08575	2.4
289.17886	0.5
291.06522	1.2
291.09872	0.7
291.26721	0.6
292.07297	7.9
293.08078	2.7
294.05182	0.9
295.06152	0.4
305.08023	0.6
306.08804	0.5
307.09616	58.5
308.09961	1.1
310.04684	1.2
317.08041	4.5
319.06033	0.5
319.19016	0.5
320.06815	5.0
325.07043	3.0
334.08105	0.4
335.09113	100.0
336.09396	2.2
349.10733	1.3
359.09277	0.8
361.10873	0.5
365.10104	0.6
377.10187	3.6
379.12015	0.7
397.12802	2.3
401.10193	0.4
425.30573	1.0
443.32257	2.2
461.32870	2.9
469.14905	0.5
478.32660	0.5
479.33981	1.6
497.14383	87.9
498.14474	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	496.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
57.07084	0.5
60.08152	0.9
67.05489	0.8
69.41390	4.4
71.07348	0.6
76.66910	0.5
77.03937	0.6
79.05487	4.7
81.07057	1.0
84.80764	0.5
86.09715	2.6
87.04478	1.1
89.06025	13.5
91.05478	2.7
93.07037	3.2
95.04948	2.8
95.08600	0.8
103.05457	3.9
104.10720	4.2
105.07021	100.0
106.07372	0.8
119.04976	0.6
119.08588	0.6
121.06497	16.8
124.99976	0.9
130.08591	0.8
131.06987	0.6
131.08574	0.8
133.08597	5.9
142.07201	0.5
147.08031	4.6
149.09659	0.7
159.66808	0.5
161.08061	0.5
165.09093	4.9
177.11212	2.7
183.10199	0.8
184.07314	4.2
209.09579	0.5
209.11667	1.4
209.13354	1.2
214.31277	0.5
225.12712	1.0
269.15363	1.0
271.15381	44.7
375.21622	13.8
479.27963	1.4
496.16833	0.7
496.33960	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3394
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05490	0.5
56.05032	1.1
57.03423	0.5
57.06816	0.2
57.07073	2.8
58.06577	1.7
58.06825	0.2
59.07376	0.4
60.08158	16.3
67.05495	0.7
69.07063	0.6
70.24498	0.6
71.07369	6.4
71.08627	1.9
81.07041	1.0
83.08604	0.5
85.10174	1.1
86.09698	49.0
87.10004	0.3
95.08607	1.5
97.10145	0.4
97.34757	0.1
98.59598	0.2
98.98456	3.1
104.10735	100.0
105.11060	0.7
109.10147	0.4
123.11689	0.1
124.99994	27.6
143.01030	0.4
163.01521	0.7
166.02583	0.2
181.02524	0.3
184.07324	95.5
185.07660	0.5
190.92847	0.2
240.09898	0.1
258.11023	1.1
271.32141	0.2
313.27362	1.7
313.51117	0.2
332.33298	0.1
416.97086	0.2
419.25662	0.4
478.32922	9.4
496.33951	40.0
497.34393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03932	0.9
55.05503	1.0
60.08146	2.2
67.05490	2.0
68.05826	0.5
69.07058	0.7
71.07374	0.8
71.64674	0.9
77.38831	0.5
79.05492	4.8
81.07045	1.7
83.04994	0.6
83.08625	0.5
86.09702	5.4
87.04455	1.0
89.06021	13.6
91.05470	3.3
93.07031	4.2
95.04976	2.5
95.08598	1.2
97.10158	0.5
103.05460	3.7
104.10734	13.8
105.07024	100.0
109.10168	0.9
110.10424	0.6
119.04939	0.9
119.08573	1.8
121.06490	15.7
124.99980	2.9
131.08514	1.0
133.08614	5.4
135.08093	0.6
147.08043	4.5
149.09605	0.6
151.03758	0.5
151.09586	0.5
152.18794	0.5
165.09123	5.9
177.11217	2.2
183.10127	0.5
184.07323	11.0
191.10709	0.6
209.11560	1.1
209.13303	1.6
223.11095	0.7
225.12776	1.3
243.50389	0.5
271.15384	44.5
272.15787	0.6
375.21637	17.2
375.26431	0.8
396.84085	0.5
435.15872	0.5
478.32944	1.7
479.28040	2.7
496.17377	0.8
496.34909	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
53.37061	2.1
55.01867	8.2
56.96559	6.6
57.03431	17.9
61.02913	9.2
69.03423	43.9
70.06579	5.4
71.04981	4.6
72.08132	6.3
73.02909	19.6
79.05443	2.0
81.03412	13.6
84.08138	5.6
85.02902	100.0
86.03214	3.6
87.04459	6.1
89.47945	2.1
91.03953	5.1
97.02885	43.2
98.97574	18.2
99.04446	9.2
101.02338	3.3
103.65201	2.3
109.02866	6.3
110.01231	3.1
110.97546	2.5
111.02006	3.1
115.03962	2.1
116.98621	12.5
117.02042	2.4
119.01835	11.3
119.04923	2.5
127.03911	56.1
128.02307	7.7
128.04161	3.0
128.98595	7.3
131.01828	4.6
132.03423	2.0
133.03416	2.3
134.99670	5.0
137.06021	2.3
138.05466	5.0
140.02318	3.5
143.00121	3.2
143.01901	7.3
145.04968	30.6
146.02313	5.4
146.99622	6.9
147.03242	2.2
147.04378	7.8
149.01141	2.2
149.02888	4.9
152.02286	4.4
154.04710	8.2
155.01735	2.6
155.02872	12.6
156.03583	2.8
158.99617	16.7
161.01277	4.9
161.02870	16.7
163.02773	4.4
163.04379	12.1
170.99648	6.9
173.01393	2.3
173.02864	11.1
174.04396	3.4
175.02881	2.2
177.00720	15.3
178.04903	7.2
181.03928	2.5
182.03336	10.8
182.53566	2.5
182.99747	2.5
183.05040	8.4
184.04921	3.3
185.02995	7.4
186.04662	2.9
189.00714	15.3
191.02187	2.6
191.03873	33.8
192.05513	7.4
192.55713	2.2
195.01736	2.2
197.03018	3.4
200.02701	3.1
200.04411	26.6
201.00674	11.9
201.06013	2.6
202.54745	2.3
203.03989	8.2
205.03787	3.2
205.05577	7.3
207.01752	2.7
209.04994	5.8
211.55275	3.6
215.03911	3.9
217.05507	5.1
219.01782	19.8
231.01729	4.5
232.04939	6.3
235.07359	16.7
235.57143	2.2
237.02783	9.5
243.01762	3.0
243.06389	4.1
243.56134	2.6
244.07677	17.6
244.57964	2.6
245.05006	23.1
246.05423	2.7
249.02936	5.0
252.06615	3.5
255.06917	2.4
259.07404	4.6
261.02817	18.3
263.06146	6.6
264.07690	9.7
264.58075	2.6
272.06506	25.6
272.56586	3.7
273.08221	34.3
273.58282	9.0
274.05731	2.8
274.08405	2.9
279.03793	12.7
281.03937	5.1
281.07043	95.6
281.57211	21.9
283.06573	6.7
291.03812	4.6
302.05435	2.9
305.07587	2.7
307.08810	12.1
321.04965	6.7
321.10223	4.5
324.59372	2.5
325.09698	10.8
325.60205	2.9
351.05862	2.2
351.11038	2.4
354.10419	2.9
362.09775	25.8
362.59857	7.4
365.09277	2.9
367.10294	4.1
381.07013	3.5
418.07684	2.1
425.11227	6.2
441.08997	5.4
496.12851	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.1
55.05510	21.0
57.03423	4.1
57.07056	5.1
61.02920	3.8
67.05500	40.7
69.03413	2.5
69.07064	30.1
69.24526	1.9
69.53089	11.4
71.01354	18.9
71.04998	3.4
71.08591	2.8
73.02887	3.8
79.05489	25.4
81.03415	7.1
81.06573	3.7
81.07050	76.9
83.04967	8.1
83.08616	15.4
85.02890	6.2
85.06538	5.1
89.02390	21.4
91.05474	19.3
93.07035	35.8
95.04964	9.0
95.08601	100.0
97.02879	6.5
97.06510	3.3
97.10171	8.3
99.04460	1.9
99.08044	1.8
100.94323	1.9
103.05480	1.6
105.06373	3.0
105.07024	36.5
107.08584	51.8
109.06453	2.8
109.10153	67.1
109.10913	3.8
111.08051	4.6
111.11687	3.3
117.07007	7.0
119.01900	4.5
119.07783	3.6
119.08572	42.4
119.09247	1.6
119.15616	1.8
121.10132	47.5
122.12914	1.6
123.04387	1.8
123.08047	3.2
123.11697	30.3
125.05936	1.9
125.09602	3.1
125.13268	1.8
127.03892	3.0
127.52785	1.7
129.06976	5.0
129.87097	1.5
131.01889	6.7
131.08571	14.3
133.10112	40.8
135.08092	3.4
135.11682	33.9
137.13245	24.7
141.07007	2.2
143.08525	5.5
145.10107	18.3
147.08014	2.3
147.11682	27.7
149.09610	3.2
149.13246	24.6
151.14818	2.4
151.50374	2.2
153.01898	3.8
155.01872	7.8
157.10103	7.3
159.11671	16.6
161.13268	20.8
163.14799	7.1
167.07106	3.7
169.10005	3.2
171.11690	7.0
173.02937	14.7
173.09544	3.4
173.13258	9.4
175.14844	13.9
177.16362	22.0
179.17950	2.3
183.11696	4.5
185.02843	2.2
185.13202	8.2
187.14824	12.0
189.16367	15.8
191.17915	26.8
193.12149	2.1
196.04514	1.9
197.13281	3.1
199.14774	5.3
201.16383	16.7
203.17950	37.3
205.19485	9.6
213.16342	3.3
215.17892	11.5
217.19521	25.1
225.16290	2.1
227.17915	9.4
229.19475	17.6
231.21030	6.1
241.19572	7.0
243.21129	5.0
245.22748	3.8
247.02946	2.6
255.20996	4.9
257.22653	7.9
267.08820	2.4
269.22647	7.6
271.24289	2.9
273.18484	3.5
283.23990	3.8
287.06100	2.0
289.04050	4.1
297.25974	2.5
307.05093	3.6
317.21112	6.1
343.22424	2.6
345.24216	4.4
357.24133	2.0
379.10895	2.7
405.35150	8.8
407.36658	48.6
421.12231	2.3
435.09564	2.8
477.18106	1.8
478.18930	1.8
495.18555	3.3
495.29642	13.9
495.38162	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3318
Annotation	Makisterone B
Peak:m/z	Relative Intensity
51.56297	0.8
52.70224	0.8
55.01859	1.5
55.05508	9.0
57.03429	1.5
57.07067	2.7
59.04987	0.8
65.03950	0.9
65.13601	1.0
67.05505	22.1
69.03428	4.1
69.07073	12.7
70.06616	0.8
70.88349	1.7
70.88712	1.3
71.04987	1.9
72.08153	1.2
79.05489	10.6
81.03417	1.2
81.06576	2.0
81.07059	41.4
83.01341	3.3
83.04973	3.6
83.08612	5.4
85.02890	2.5
85.06538	9.6
91.05470	6.2
93.07043	16.7
95.01308	1.9
95.04986	4.1
95.08607	31.1
97.02888	2.2
97.06528	3.5
97.10178	1.4
99.00812	6.5
99.04469	5.3
99.08117	2.2
105.07022	8.8
107.04964	0.9
107.08597	13.6
109.02868	1.2
109.06515	3.2
109.10153	16.7
111.04455	1.8
111.08091	2.0
113.02363	1.3
117.01880	1.4
117.07047	1.7
119.04956	1.7
119.08552	5.4
121.06519	2.8
121.10139	9.0
123.04411	2.0
123.08083	3.2
123.11686	7.9
125.05963	2.1
125.09626	1.3
127.03886	4.5
131.04932	1.5
131.08542	3.2
133.06523	1.7
133.10139	3.7
135.04366	1.0
135.08070	2.9
135.11670	5.1
137.05966	4.4
137.09645	1.1
137.13268	2.6
139.03949	1.6
139.07542	3.8
139.11209	1.4
141.05481	1.2
143.08557	2.2
145.10168	4.3
147.04395	2.4
147.08086	1.5
147.11713	2.4
148.04634	1.0
149.06021	2.7
149.09608	2.0
149.13242	4.5
151.07513	6.3
151.11177	1.1
153.05490	3.9
155.07039	2.3
156.09358	1.2
157.10187	1.4
159.11711	2.4
161.06024	1.6
161.09598	2.3
161.13257	1.8
163.03908	3.1
163.07550	3.7
163.11218	1.9
163.14787	1.9
165.05489	1.9
165.09122	7.1
166.06346	0.9
167.07039	13.1
171.06541	1.0
171.08041	2.1
171.11659	0.9
173.09570	1.1
173.13316	2.3
175.07565	3.9
175.11180	1.5
175.14903	1.4
177.05476	7.7
177.09152	2.4
179.07074	1.3
179.10748	2.0
181.04964	9.3
181.08607	2.0
183.06551	5.1
187.11253	1.5
187.14806	1.0
189.09102	15.4
191.07155	2.6
191.10739	2.6
191.14371	0.8
193.04944	1.0
193.08615	1.4
195.06519	29.6
195.08202	1.9
197.19067	1.2
201.09189	1.1
201.12679	1.0
203.10703	1.5
203.18079	1.0
205.08621	1.5
205.12219	1.8
205.19754	1.0
207.06610	2.9
207.10168	1.0
209.08115	9.4
213.09245	1.0
217.08630	1.4
217.12177	1.1
219.10181	1.2
221.08109	3.0
223.09648	16.9
229.12270	1.4
231.10118	1.3
231.13899	1.0
233.11720	1.1
235.09677	3.2
237.11166	12.7
238.33621	1.0
243.13823	1.7
249.11212	12.2
251.12880	2.5
261.11301	2.6
263.12817	2.8
275.12781	2.0
277.14383	3.1
289.14450	2.7
291.15988	3.1
303.06909	4.4
303.15814	1.6
305.17490	2.9
317.17517	3.2
319.19138	1.0
325.06885	1.3
327.62167	1.0
337.07303	1.1
339.08820	0.9
375.25198	1.3
397.31122	1.6
431.31329	1.0
441.30093	5.2
451.18576	1.3
453.86371	0.9
459.31165	31.0
477.32159	100.0
478.32944	1.1
495.17273	1.7
495.22153	2.8
495.33173	48.0
496.34091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3313
Annotation	Makisterone B
Peak:m/z	Relative Intensity
53.72847	0.5
55.01872	1.1
55.05262	0.7
55.05508	9.6
57.03434	0.8
57.07076	3.1
57.07298	0.6
57.98408	0.6
61.02922	0.7
65.03919	1.4
67.05495	17.4
68.99793	0.7
69.03420	3.0
69.06718	0.9
69.07063	15.4
71.04967	1.5
71.08605	0.6
71.63536	1.1
72.08125	1.2
79.05486	10.0
81.03389	1.7
81.07049	44.2
83.01321	2.8
83.04965	2.5
83.08609	4.4
85.02879	1.8
85.06532	7.6
91.05466	6.6
93.07034	15.3
95.01301	1.3
95.04966	3.4
95.08597	34.4
97.02874	2.6
97.06544	2.9
97.10148	2.5
99.00796	6.5
99.04455	5.0
99.08069	1.6
103.05420	0.7
105.07012	7.0
107.04922	2.1
107.08587	11.8
108.08860	0.6
109.02842	2.5
109.06508	3.4
109.10146	17.2
111.04419	1.9
111.08052	1.4
111.11727	0.8
113.02335	2.3
113.09625	1.1
117.01826	0.8
117.07029	1.3
119.04948	1.2
119.08540	4.5
121.06484	1.5
121.10119	8.5
123.04408	1.7
123.08045	1.9
123.11681	5.7
125.05953	2.1
125.09570	1.3
127.03912	4.7
128.06198	1.1
129.06982	0.7
131.08559	2.8
132.05728	0.7
133.06497	1.3
133.10098	3.7
135.04396	1.9
135.08028	2.7
135.11668	6.0
137.05963	5.3
137.09573	2.2
137.13235	3.3
139.07538	2.1
139.11180	0.9
141.05453	0.8
142.07712	1.0
143.08537	1.9
145.06485	1.5
145.10098	2.9
147.04378	1.7
147.07961	0.9
147.11676	3.2
149.02263	0.9
149.05991	2.4
149.09601	1.5
149.13243	3.9
151.03897	0.7
151.07523	6.2
151.11153	0.9
153.05443	4.6
155.06996	2.0
155.08427	0.7
156.09344	0.7
157.06505	0.8
157.10068	1.4
159.07994	0.9
159.11684	2.5
161.05974	2.1
161.09624	2.2
161.13264	1.0
163.03917	3.5
163.07521	3.1
163.11128	1.1
163.14801	2.0
165.05496	1.3
165.06972	0.9
165.09103	17.9
167.07057	5.8
169.04997	1.2
171.07991	2.0
171.11659	1.0
173.05986	1.7
173.09622	1.1
173.13167	0.8
175.07518	4.8
175.11191	1.7
177.05458	10.5
177.09062	2.8
177.16342	1.2
179.07054	1.1
179.10651	2.3
181.04922	13.0
183.05096	0.6
183.06555	7.3
183.11792	0.7
185.13266	1.1
187.07587	0.8
187.11176	0.7
188.93266	0.6
189.09088	20.3
189.16322	0.9
190.09645	0.8
191.06998	2.7
191.10658	1.7
193.12247	1.3
195.06509	35.9
199.05951	0.6
199.11270	0.9
199.14754	0.7
201.05432	0.8
201.09163	1.3
201.12752	0.7
203.06906	0.8
203.10568	3.9
205.08540	1.8
205.12221	2.2
207.06476	3.2
207.10014	0.8
209.08066	14.4
215.07101	0.6
215.10742	1.5
217.08780	0.7
217.12192	1.7
217.15572	0.6
219.10075	1.0
219.13763	0.8
221.08064	2.6
223.09637	18.7
225.11029	0.7
229.12231	1.5
231.10086	1.3
231.13895	0.6
235.09570	3.7
237.11192	22.2
239.09055	1.1
245.15508	0.9
247.09573	1.1
249.11194	16.7
251.12811	3.0
257.04388	2.5
261.11179	2.7
263.12665	3.5
265.14261	1.6
275.12747	2.1
277.14346	3.2
285.03943	1.4
289.14343	1.8
291.15997	3.0
293.17239	0.8
299.86288	0.6
303.16055	1.2
305.17493	6.7
307.26376	0.8
315.15710	0.7
317.17459	5.9
325.06827	0.7
331.18918	2.1
333.20590	0.8
339.08524	1.1
345.20764	0.6
377.09961	0.8
379.11569	1.1
393.13150	0.9
397.31058	1.1
405.27786	0.7
423.28683	1.0
425.68341	0.7
429.30579	0.7
441.29980	6.4
459.31006	100.0
460.31577	2.9
477.18805	3.9
477.32123	70.6
478.32608	1.4
495.19043	1.2
495.33282	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3314
Annotation	Makisterone B
Peak:m/z	Relative Intensity
55.01868	0.7
55.05300	0.6
55.05508	7.1
57.07063	3.0
59.04980	0.9
61.02912	0.7
65.03905	1.1
67.05499	9.6
69.03420	1.9
69.07065	26.2
71.05013	0.8
73.06515	0.6
79.05482	6.4
81.03453	0.7
81.07049	20.8
83.01314	1.7
83.04977	1.6
83.08595	4.8
85.02889	1.0
85.06537	4.5
91.05471	3.5
93.07040	9.0
95.01309	1.3
95.04948	1.6
95.08598	16.3
97.02869	1.1
97.06531	3.2
97.10162	1.9
99.00806	6.0
99.04456	2.5
99.08093	1.3
105.07011	2.8
107.04934	0.8
107.08594	8.3
109.02890	1.5
109.06516	1.4
109.10137	10.1
111.08085	1.4
111.11730	2.3
113.02377	1.1
113.06062	0.7
117.01899	0.9
119.08595	2.7
121.06505	1.9
121.10117	3.4
123.04421	0.8
123.08041	1.3
123.11704	3.6
125.05937	1.2
127.03847	0.7
131.08546	1.0
132.38901	0.7
133.06491	1.1
133.10126	2.3
135.04367	1.1
135.08038	1.6
135.11696	3.1
137.05995	3.2
137.13240	1.7
139.07515	2.5
147.08073	0.8
147.11687	1.6
149.05960	2.6
149.13284	2.5
151.07547	3.6
153.05437	4.9
155.07036	1.1
159.11710	1.1
161.05986	1.3
161.09651	1.2
163.03908	1.3
163.07591	1.4
163.11221	0.9
163.14890	0.9
165.05501	0.7
165.09120	2.3
167.07031	9.5
168.07268	0.9
175.07584	2.7
175.11133	1.1
177.05463	4.0
177.09085	1.8
179.10754	1.5
181.04939	10.9
183.06543	4.8
189.09084	6.3
191.07039	2.0
191.10770	1.3
191.17973	1.0
193.12222	1.2
195.06517	28.5
203.10655	1.6
205.08597	1.1
205.12285	0.7
207.06506	1.8
209.08078	14.4
217.08617	2.0
217.12155	1.0
219.10168	0.7
221.08165	2.8
223.09637	20.0
231.13718	1.2
235.09673	2.6
237.11191	14.6
243.13824	0.9
248.97693	0.8
249.11179	6.8
251.12846	4.4
261.11145	1.3
263.12729	1.7
265.14240	1.1
275.12842	0.7
277.14423	1.3
288.58020	0.7
291.15875	3.6
293.17484	2.8
303.15900	1.1
305.17468	3.3
307.18988	7.2
317.17493	6.7
319.19101	1.6
321.20325	0.8
335.18512	4.1
391.99698	0.8
395.11270	0.8
441.29987	2.6
459.31107	16.5
460.30975	0.9
477.32074	56.6
478.32312	1.3
495.12842	2.0
495.33139	100.0
496.33496	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	495.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05511	14.9
57.03423	1.5
57.07057	4.5
59.04995	1.6
62.70146	0.9
65.03947	1.2
67.05152	1.9
67.05495	20.6
69.03417	3.6
69.07060	23.7
71.04966	2.3
79.05485	13.3
81.03383	1.4
81.07047	48.7
83.01335	2.9
83.04970	3.6
83.08598	10.1
85.02895	2.1
85.06536	6.7
91.05470	6.9
93.07039	20.4
95.01330	2.0
95.04961	3.6
95.08601	32.1
97.02864	1.6
97.06528	2.6
97.10157	3.8
99.00804	10.9
99.04445	5.9
99.08069	2.0
105.07025	7.8
107.04915	2.2
107.08589	15.6
109.02847	2.3
109.06491	3.5
109.10148	21.2
111.04438	1.0
111.08083	2.5
113.02382	2.7
117.01825	2.3
117.07002	2.1
119.04936	1.2
119.08577	5.5
121.06509	3.0
121.10110	9.9
123.04411	1.2
123.08044	2.6
123.11668	8.5
125.05979	4.4
125.09641	1.5
127.03922	4.7
127.11155	1.3
129.06990	1.3
131.08583	2.3
133.06439	1.3
133.10080	5.3
135.04388	2.5
135.08090	3.5
135.11664	7.9
137.05954	5.2
137.09703	1.3
137.13268	4.1
139.07541	3.2
143.08542	1.7
145.10110	4.2
147.08119	1.3
147.11694	2.4
149.02370	2.2
149.05942	3.3
149.09593	2.2
149.13251	4.9
151.07521	6.6
151.14850	1.2
153.05453	7.9
155.07056	2.6
157.10069	1.8
159.11667	2.3
161.06012	3.0
161.09593	2.2
163.03873	2.6
163.07547	4.2
163.11121	2.2
163.14767	2.4
165.05421	1.5
165.09085	5.7
167.07034	17.6
171.08044	2.6
175.07550	5.9
175.11191	3.1
175.14828	1.5
177.05455	9.3
177.09099	4.0
179.07030	1.4
179.10654	2.6
181.04933	22.5
183.06491	9.7
187.07567	1.4
187.14845	1.5
189.09111	20.0
189.12659	1.4
191.07040	4.2
191.10635	1.9
193.08652	1.4
193.12239	1.8
195.06517	55.0
199.05978	2.1
203.10677	3.8
205.08617	2.9
205.12224	2.0
207.06538	4.7
207.10309	1.7
209.08064	26.8
215.10609	1.1
217.08459	1.9
217.12225	1.9
219.10245	1.9
221.08092	4.9
223.09627	38.4
229.12222	1.5
231.13882	1.2
235.09576	5.3
237.11192	32.6
243.13896	1.5
245.15170	1.2
249.11215	20.5
251.12758	7.3
261.11249	2.0
261.18228	1.5
263.12805	4.7
265.14264	3.1
275.12857	1.8
277.14261	2.7
291.15808	3.9
293.17514	1.5
303.15955	2.0
305.17477	3.2
307.19037	4.0
310.04785	2.9
317.17438	15.4
319.19171	3.7
325.07028	7.5
333.20477	1.7
335.18488	17.1
337.07019	1.2
347.21964	1.4
361.23819	1.4
369.84409	1.2
375.25323	1.2
377.10233	1.6
385.23663	1.2
395.11270	5.9
397.31314	1.4
421.25903	4.2
423.29269	1.4
433.32599	1.3
441.30225	10.8
447.31140	1.4
459.31042	87.0
460.31262	1.8
477.32123	100.0
478.32724	1.8
495.20914	5.2
495.33154	92.2
496.33353	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	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.01849	7.1
55.05505	27.4
57.03438	16.0
57.07049	3.3
58.06577	2.9
59.04979	2.7
65.03924	4.2
67.05499	48.1
69.03433	8.0
69.07066	17.3
71.04989	9.0
71.61884	2.9
73.89152	1.5
79.05486	42.3
81.03410	86.0
81.07047	65.3
83.04973	22.3
83.08606	30.0
85.02896	43.1
85.06527	9.1
86.21780	1.4
91.05472	48.7
93.07033	39.3
95.04964	40.2
95.08045	2.5
95.08602	36.9
95.09190	1.4
97.02881	5.9
97.06512	8.4
97.10155	9.2
99.04452	2.5
99.08085	3.3
103.05480	2.2
105.07024	42.3
105.07737	3.1
107.04961	13.9
107.08581	23.3
108.69156	1.8
109.02866	3.0
109.06516	9.7
109.10139	15.5
111.04409	5.0
111.08081	13.6
113.05982	5.7
115.05393	2.8
117.06971	5.6
119.04921	2.1
119.07790	2.5
119.08572	32.9
121.06478	6.6
121.10145	20.8
123.04381	3.7
123.08050	7.2
123.11678	9.9
125.05954	5.3
125.09595	3.7
127.03899	14.6
129.07001	16.2
131.08554	13.7
133.06447	4.7
133.10121	22.0
135.04372	2.4
135.08035	3.1
135.11681	8.5
137.05959	9.2
137.09624	3.7
137.13211	2.8
139.03816	4.2
142.07768	3.2
145.06448	2.0
145.10136	7.7
147.08029	3.8
147.11679	21.4
149.09590	9.8
149.13257	5.1
151.07515	4.3
151.11143	1.8
153.05406	5.8
153.12651	2.0
155.08470	1.9
157.10109	16.9
159.07896	1.9
159.11678	3.9
161.06032	2.3
163.11093	2.1
165.05476	2.2
165.09036	2.2
165.12720	6.0
167.07056	20.8
169.04964	3.6
173.09518	1.6
173.13258	2.6
175.07523	2.0
175.11174	18.3
177.09100	2.0
177.12770	1.9
181.08553	1.9
187.11179	1.9
189.09055	4.0
189.12766	1.9
191.06938	2.2
191.10558	3.5
193.08571	2.6
193.12225	68.0
195.10075	1.8
195.11836	1.9
205.08588	3.4
207.10095	1.8
211.13257	88.6
217.08598	5.0
265.14389	2.3
267.15918	13.4
285.17068	3.6
307.05978	8.6
310.04648	1.9
325.06995	12.0
339.08649	3.7
365.10278	2.2
367.22229	2.2
381.13248	3.5
385.23700	2.3
393.13531	2.1
403.24695	2.2
415.32114	2.8
421.08902	2.4
433.33075	3.1
439.09943	3.5
441.30142	4.0
459.13565	1.8
459.27112	6.4
477.19125	2.6
477.28397	12.1
495.29382	100.0
496.29736	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	495.2014
Annotation	Bannaxanthone G
Peak:m/z	Relative Intensity
55.05495	1.5
67.05511	6.8
69.03404	1.0
69.07066	2.2
71.62566	2.2
73.42767	1.0
75.38553	0.7
79.05470	2.7
81.03433	0.9
81.07062	4.4
83.04987	1.8
86.09718	1.4
91.05462	5.8
93.07053	2.1
95.04993	1.6
95.08588	2.4
104.10723	2.2
105.07019	10.7
106.72719	0.9
107.08594	4.5
109.06510	1.5
109.10145	9.8
119.04942	1.0
119.08537	1.1
121.10109	1.1
123.11665	0.9
123.76831	1.0
131.08545	1.9
133.10117	10.6
147.04401	1.7
147.11772	0.9
151.03876	2.0
165.05479	1.2
174.89767	0.9
183.55383	0.9
184.07343	2.6
191.03403	1.1
195.70375	0.9
199.39992	1.0
199.84987	0.9
209.04451	1.6
239.07214	1.1
242.83296	1.0
267.06549	2.6
268.07196	1.3
279.06308	1.0
295.06058	1.9
296.06787	3.5
311.09286	1.5
313.06897	2.0
321.07852	1.6
323.05341	1.5
324.06271	36.6
325.07016	2.6
327.08725	3.7
339.08618	100.0
340.08929	1.0
349.10745	1.7
353.10120	1.9
357.09674	36.6
377.10187	1.9
379.11630	1.1
388.09448	1.2
391.07196	0.9
391.11948	2.6
395.11359	3.5
401.10376	1.6
402.10971	3.0
403.11777	3.5
409.12991	2.0
417.13177	5.7
421.12531	2.1
444.15619	1.8
459.17960	17.6
477.19101	34.7
495.20135	30.0
495.31949	1.7
495.34750	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	495.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
53.61163	0.6
55.05503	4.3
57.03384	2.1
57.07027	1.1
57.41713	0.5
61.02889	0.8
67.05500	10.1
69.03412	2.7
69.07063	5.1
69.65757	4.4
71.01316	1.3
71.04942	1.8
73.02863	0.9
79.05480	6.5
81.03412	3.6
81.07049	12.6
83.04921	2.3
83.08598	4.2
84.81831	0.5
85.02837	2.2
85.03296	0.5
85.06528	6.0
89.02338	1.3
91.05462	6.1
93.07048	10.2
95.04942	2.8
95.08605	11.0
95.09181	0.5
97.02820	1.8
97.06464	1.6
97.10107	1.4
105.03337	0.7
105.07024	6.7
107.04888	1.6
107.08592	7.2
109.02793	1.2
109.06475	1.5
109.10146	7.3
111.04371	1.1
111.08044	0.7
117.03323	1.6
117.06938	1.9
119.01852	1.3
119.08574	6.8
121.09464	0.5
121.10114	5.8
123.04336	0.9
123.08009	1.1
123.11687	2.9
125.09575	0.9
125.46372	0.5
127.03873	0.9
129.06926	1.6
131.01813	1.8
131.08530	2.7
133.06412	0.7
133.10133	5.0
134.03589	1.1
135.07933	0.6
135.11649	3.6
137.05928	1.0
137.09511	1.0
137.13182	2.0
143.08586	1.4
145.03413	0.9
145.10130	2.6
147.11707	4.2
149.05920	0.7
149.09563	0.9
149.13255	3.9
151.03819	1.0
151.11136	0.7
153.01819	8.3
153.05418	1.2
153.12677	0.7
155.01836	1.9
155.08502	1.2
157.10068	1.4
159.11639	2.3
161.02962	0.7
161.05869	0.6
161.13174	2.4
163.11147	1.1
163.14786	1.4
165.08972	0.6
167.06950	0.9
169.03548	0.8
169.10185	0.6
171.11629	1.3
173.02957	3.9
173.13213	1.7
175.04164	0.6
175.14726	1.5
177.16391	1.0
181.06453	0.6
185.02969	0.6
185.13190	0.8
187.04434	0.7
187.14822	0.8
189.16313	1.5
191.10623	0.7
191.17867	1.9
193.12181	1.4
195.02863	1.3
195.13603	0.6
200.04691	0.7
201.16341	1.6
203.17921	3.5
205.19492	0.7
211.13231	0.8
213.05180	0.6
215.17909	0.8
217.19518	1.9
225.05280	0.6
229.04927	0.9
229.19452	0.8
247.06116	0.7
253.04890	3.1
254.05669	1.0
259.20502	1.0
262.06390	0.6
265.04892	0.8
267.15906	1.5
269.17151	0.7
277.08389	0.9
282.05182	2.4
283.15414	1.6
287.05939	0.7
289.03961	0.8
289.08572	1.0
293.04419	1.2
298.04712	1.1
305.07935	1.0
306.08710	0.7
307.05493	0.8
308.10284	1.0
309.04004	1.1
310.04691	34.2
311.05106	0.8
313.07037	2.3
316.07306	1.1
317.08179	0.8
323.09332	0.7
323.12842	2.2
324.06351	1.1
325.07034	100.0
326.07352	1.0
327.08566	2.0
333.07596	0.9
333.24210	0.7
334.08353	1.8
335.09250	1.3
337.28836	0.6
338.07916	1.2
339.08551	3.4
344.06870	1.3
345.07419	0.7
349.10678	4.1
351.08411	1.1
351.12265	6.2
353.10190	1.8
357.09711	0.7
357.24036	0.6
359.09103	1.8
361.10690	1.0
362.07764	4.8
364.09146	1.2
365.10187	1.7
367.11737	9.6
377.10181	25.1
378.10907	0.7
379.11487	4.5
383.11121	1.4
393.13208	6.6
395.11234	27.0
399.85550	0.6
407.36752	2.4
423.27548	1.0
425.16016	1.0
435.09625	1.5
459.18039	0.9
459.27151	1.1
463.17920	1.0
477.19119	17.4
477.28525	2.8
495.20142	71.9
495.29019	5.3
496.20288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2009
Annotation	Bannaxanthone G
Peak:m/z	Relative Intensity
55.05501	1.7
65.06324	0.9
67.05495	4.2
69.03414	1.5
69.07064	3.7
69.15176	1.0
71.04995	1.1
71.62586	1.1
71.62962	1.8
79.05489	3.1
81.07052	6.2
83.04972	2.2
83.08621	2.3
85.06536	38.2
85.07647	1.3
91.05489	3.9
93.07030	5.8
95.08595	4.5
97.06510	1.0
97.10193	1.3
105.03396	0.9
105.07058	2.4
107.08607	4.6
109.06525	1.1
109.10159	2.1
113.28851	1.0
117.07050	1.3
119.04958	1.3
119.08589	2.4
121.10151	3.2
123.11703	1.7
125.09612	1.2
133.06410	1.0
134.03651	3.0
135.11664	1.6
137.05963	1.5
139.03902	1.7
149.13197	1.2
151.03908	2.2
171.11813	1.1
188.26010	0.9
191.10730	1.4
213.05609	1.2
219.87796	1.1
225.08887	1.0
232.78802	1.0
273.09164	1.4
279.10513	1.0
289.04471	1.2
289.08517	1.1
290.09448	1.4
301.08493	1.7
305.12115	1.0
307.09897	1.2
310.04663	4.7
313.07037	1.2
317.08157	1.5
318.08862	2.5
322.04935	1.4
323.09219	1.2
324.06326	1.3
325.07028	7.0
329.08246	1.7
333.11273	4.4
335.09341	1.6
336.06396	2.1
336.10071	1.2
337.07178	1.7
339.08868	3.4
345.07532	1.5
346.08243	8.8
349.07104	1.3
349.10748	1.4
351.08688	3.1
351.12549	1.7
352.09137	1.0
360.10190	1.6
361.10721	19.2
363.08438	1.3
364.09372	10.1
365.10422	1.3
367.11795	5.4
375.12451	3.6
378.10928	4.7
379.11771	43.3
393.13318	34.5
433.32666	1.1
444.15692	1.1
459.17929	2.3
477.19061	100.0
495.20218	37.0
495.30844	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	495.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21881	0.3
55.05472	1.1
57.03413	0.4
62.82216	0.3
67.05451	0.9
69.03392	1.3
69.03724	0.3
69.07040	0.6
70.06541	0.8
70.88320	0.4
70.88660	0.6
72.08151	8.4
72.08527	0.3
79.05464	0.6
81.03397	0.6
81.07017	1.2
83.04941	0.6
84.08131	0.6
85.02859	1.0
85.06511	0.9
86.07153	0.4
86.09676	0.7
87.04449	0.4
91.05441	1.2
93.07001	1.1
95.08580	0.8
97.02859	1.3
97.06505	0.6
97.07619	1.2
98.06020	1.3
99.04447	0.5
99.08055	0.4
105.07002	0.9
107.08624	0.6
109.06498	0.4
109.10165	0.7
110.02373	1.2
114.10268	0.8
115.03860	0.7
115.08614	0.4
116.98550	0.4
119.04880	0.6
119.08512	0.6
121.10106	0.4
123.04373	0.3
124.03890	0.3
127.03865	1.3
133.04893	0.4
133.10144	0.6
135.11655	0.6
137.05972	0.6
147.04417	1.8
151.07549	0.5
152.07018	0.5
159.11557	0.3
161.13268	0.3
163.03821	0.6
167.07027	2.1
169.09686	0.4
175.11069	0.3
175.14815	0.4
177.05434	0.5
205.06442	0.4
211.36809	0.3
221.05919	0.9
222.06686	0.4
223.07538	0.8
230.06032	0.5
233.05905	0.5
237.02783	0.5
237.05217	0.4
248.07014	1.0
248.51950	0.3
249.05458	0.9
250.06203	1.0
251.06926	0.6
253.04901	0.5
263.06763	0.5
265.04941	0.8
274.04886	0.4
275.05740	0.5
276.04028	0.3
276.06601	1.0
277.04889	1.8
278.05734	2.9
279.06567	0.9
280.06998	0.4
281.04547	0.9
282.04956	0.4
282.07715	0.3
290.04340	1.0
291.02698	0.4
291.05716	0.5
292.03598	0.6
293.04388	0.9
294.05185	1.4
295.05917	0.6
296.06549	0.5
297.03934	0.6
302.04456	0.5
303.05246	0.4
304.03421	0.3
304.06125	3.2
305.04251	1.6
306.05106	3.4
306.07736	0.4
307.02295	1.7
307.05923	1.3
308.06186	0.7
309.03860	1.4
309.07318	0.6
310.04654	0.7
316.06064	0.3
318.03848	0.4
321.03854	1.1
322.04559	6.3
323.05359	1.1
323.08957	0.4
326.04361	0.6
327.08136	0.4
332.05554	2.9
333.03467	0.4
334.07480	3.7
335.05420	2.6
337.06915	1.0
338.04175	4.4
339.04965	0.5
339.08582	0.7
340.05643	0.7
344.05475	0.3
347.04111	0.3
348.08685	0.4
350.06943	0.6
351.04745	2.9
353.06604	0.4
361.05981	0.4
362.06555	3.8
364.04117	0.5
364.08401	1.6
365.06500	3.1
368.04962	0.5
369.06134	0.9
378.05981	0.7
379.07257	0.3
380.07635	1.2
382.09326	2.5
383.07611	0.9
394.09207	64.4
395.09503	1.1
419.12558	2.2
420.13135	0.4
421.13638	0.5
422.12347	0.6
435.15515	10.8
436.13919	17.2
453.16580	0.9
469.40634	0.4
477.26205	0.5
478.16113	9.0
487.72375	0.4
495.18719	100.0
496.18814	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	494.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77331	0.5
55.05484	0.6
60.07925	0.4
60.08160	5.3
67.05488	0.7
69.07063	0.8
69.53603	2.4
69.54017	1.4
71.07355	1.9
81.07021	0.7
83.08601	0.6
86.09699	28.4
95.08586	0.6
97.10171	0.8
98.20687	0.9
98.98443	2.0
104.10739	7.4
109.10149	1.0
121.10136	0.7
124.99998	19.9
184.07329	100.0
193.04930	0.5
476.31302	3.2
494.32480	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	494.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27054	1.0
52.38772	1.0
53.03936	2.9
55.01862	2.6
55.05505	10.3
57.03426	3.2
57.07059	1.7
57.71483	1.0
59.04989	2.8
59.15820	1.0
60.04522	4.9
61.02912	1.4
67.05501	9.7
69.03417	13.4
69.07059	18.6
70.06573	1.3
70.80286	2.1
70.80679	1.9
71.04981	8.5
72.08143	1.2
73.02886	1.4
78.03435	3.1
79.05493	8.5
81.03412	12.1
81.07050	20.1
82.07397	1.3
83.04970	3.0
83.08612	12.0
84.08109	1.7
85.02898	21.3
85.06510	4.6
86.09682	1.5
87.00816	9.2
88.24938	1.0
91.05470	6.5
93.07027	17.5
95.04952	4.5
95.08600	32.4
96.04456	1.6
97.02882	13.6
97.06525	12.0
99.04444	11.3
99.08024	1.8
103.71857	0.9
105.01838	7.9
105.07030	10.9
106.02909	15.2
107.08584	30.6
109.02882	11.2
109.06512	10.9
109.10147	45.2
110.02380	1.8
110.10508	1.5
111.08069	3.0
111.11703	3.3
115.07531	9.3
119.08573	20.5
121.10139	20.9
123.08057	11.1
123.11697	11.4
124.03948	27.0
125.09621	2.1
127.03902	17.1
127.11190	8.8
131.08516	2.3
133.10124	39.0
135.08078	1.9
135.11678	38.3
137.05980	1.9
137.09613	7.3
137.13303	1.1
139.11191	2.6
145.04977	6.4
145.06480	1.2
145.10075	2.3
147.04398	8.5
147.11665	9.3
149.13242	11.0
151.07484	1.4
151.11131	1.0
153.09081	1.1
153.12817	5.5
155.10605	1.4
159.02840	3.6
161.13155	1.1
165.12744	8.8
167.07045	2.1
173.11819	1.6
173.13243	4.4
175.14809	60.0
177.16377	39.3
191.14250	5.5
193.15866	67.8
209.15291	6.3
211.16919	100.0
212.17201	1.3
231.04973	2.8
232.06003	1.2
246.11278	3.3
250.07053	3.4
268.05499	1.4
268.08173	18.7
284.09671	1.2
286.09128	3.6
313.08307	1.4
314.26892	2.2
332.27908	7.8
381.60349	1.2
423.20132	1.9
441.21225	1.5
476.14505	1.5
476.28635	1.7
494.16824	2.2
494.23712	17.3
494.33398	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	494.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03937	4.2
55.01859	1.6
55.05495	3.2
57.03419	1.7
57.07045	1.6
62.36482	0.7
67.05175	0.9
67.05479	5.6
69.03079	0.7
69.03419	10.1
69.07056	4.8
70.04074	1.3
70.06577	1.8
71.01320	0.9
71.04972	3.0
72.08141	3.2
73.02931	0.8
76.93565	0.7
77.97693	0.7
78.03448	8.6
79.05491	7.2
79.48891	0.7
80.05003	2.3
81.03406	16.5
81.06573	1.0
81.07047	16.5
82.07344	0.8
83.04956	3.4
83.08607	3.0
84.08111	0.8
85.02888	7.1
85.06519	1.8
86.09702	1.4
91.05464	5.4
93.07032	9.6
95.04958	13.9
95.08591	6.5
96.04479	4.3
97.02889	6.4
97.06507	3.5
99.04454	4.5
103.05414	0.9
105.01876	0.7
105.07018	12.4
105.78580	0.9
106.02899	42.9
107.08576	13.6
109.02869	10.0
109.06502	22.4
109.10135	15.6
117.07023	0.9
119.06013	0.8
119.08562	9.2
121.02811	0.9
121.06497	0.8
121.10120	12.7
123.08062	5.3
123.11700	6.6
124.03932	100.0
125.09528	0.7
127.03895	9.8
131.08562	6.8
133.10118	26.8
135.08055	8.2
135.11653	4.3
137.05965	1.3
139.11180	2.0
143.08534	1.2
145.10074	4.9
147.04379	1.9
147.11661	6.3
149.09590	1.4
149.13246	8.5
151.11160	1.6
153.09053	6.8
158.10864	2.5
163.11154	0.9
163.14774	2.3
165.12747	4.7
166.05042	0.9
167.06987	1.6
167.10715	0.8
167.14366	1.1
173.13237	21.7
173.14673	1.6
174.37796	0.8
175.14813	0.8
190.61401	0.9
191.14290	25.4
191.16042	1.4
209.15318	8.1
232.06046	2.8
250.07094	17.0
268.08127	53.8
284.07626	1.3
286.09158	11.1
300.14185	3.1
444.25638	1.2
458.21185	1.0
476.22714	8.7
494.23730	6.6
494.29526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01853	0.9
55.05488	0.5
57.03418	0.9
58.29760	0.2
60.04488	0.2
65.03918	0.3
66.04714	0.5
67.05499	1.1
69.03429	0.8
69.06722	0.2
69.07046	1.6
69.65302	1.2
70.06573	0.4
71.04984	0.3
77.03923	0.3
79.05481	3.3
81.03413	0.6
81.07043	1.9
82.07359	0.3
83.04977	0.5
83.08592	0.6
84.08156	0.3
85.02916	0.5
85.06533	0.5
90.04663	0.4
91.05474	4.9
92.06271	0.2
93.07030	1.2
94.07383	0.3
95.04958	1.5
95.08586	1.1
96.08933	0.4
97.02901	0.4
97.06511	0.7
98.06863	0.3
99.04446	0.3
103.05456	4.2
104.06248	0.5
105.04489	0.3
105.07024	10.8
106.07365	0.3
107.04940	1.7
107.08580	0.8
108.05714	0.6
109.02859	1.7
109.06513	1.4
109.10153	1.0
110.02370	0.9
110.10496	0.2
110.72974	0.2
111.04414	0.3
115.05458	0.5
117.07001	0.3
118.04148	11.8
119.04937	5.0
119.08550	0.5
120.05704	0.8
121.06509	2.0
121.10146	0.6
122.03651	0.3
122.07301	1.4
123.04442	0.4
123.08062	0.5
123.11663	0.5
124.05193	5.4
125.05971	0.4
127.03873	0.4
131.04912	0.8
131.08598	0.3
132.05698	0.4
133.02850	0.4
133.06477	17.1
133.10107	0.4
134.07275	1.5
135.04379	1.4
135.08044	3.6
135.11673	0.4
137.05972	5.0
137.09535	0.4
138.06401	0.3
139.07515	0.3
145.10060	0.3
147.04395	5.4
147.08017	0.6
147.11708	0.4
148.04996	0.3
149.00523	0.5
149.05940	0.8
149.09656	0.4
150.06744	6.5
151.03922	0.2
151.07518	3.5
151.11174	0.3
152.06918	0.4
152.31429	0.2
161.00563	0.4
161.05969	3.6
162.06702	0.6
163.07544	0.8
165.05498	0.3
165.09090	11.0
167.07047	1.2
168.07275	0.4
175.07518	0.7
177.05435	0.5
177.09077	0.4
178.00830	0.6
178.06168	0.5
178.09836	0.3
179.07011	3.1
180.10248	0.4
181.04930	0.3
183.08194	0.3
189.09027	0.5
190.09427	0.3
193.03214	4.6
193.08586	100.0
194.08975	0.8
195.06558	0.5
195.10127	0.3
196.06802	0.3
205.08490	0.3
237.11116	0.3
249.11145	0.4
259.40994	0.2
270.08127	0.3
282.08014	0.5
304.16190	0.3
309.07788	0.2
323.12744	2.3
327.15472	0.2
355.15311	0.8
398.00528	0.2
401.05957	0.2
404.10388	0.2
458.30014	0.6
475.30606	0.4
476.31165	3.1
494.19492	0.4
494.32013	0.8
494.38287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01862	0.7
55.05487	0.9
55.63257	0.2
57.03416	0.7
65.03925	0.6
65.38337	0.2
66.04707	0.5
67.05504	1.4
69.03410	0.9
69.07067	2.0
70.06577	0.4
70.07401	0.4
71.04973	0.6
72.08142	0.7
77.03931	0.3
79.05491	4.1
81.03403	0.7
81.07049	2.5
82.07392	0.5
83.04940	0.4
83.08593	0.4
84.04478	0.3
85.02889	0.8
85.06526	0.8
91.05477	5.0
93.07040	2.0
94.07326	0.3
95.04958	1.3
95.08614	2.3
97.02866	0.7
97.06499	1.1
97.10098	0.3
98.06860	0.2
99.04440	0.3
103.05463	4.2
104.06287	0.2
105.07030	11.6
106.07303	0.3
107.04949	1.4
107.08609	1.7
108.05765	0.6
108.08929	0.3
109.02863	1.0
109.06513	1.5
109.10162	1.8
110.02432	0.5
110.10489	0.2
111.04379	0.3
115.05447	0.9
117.07023	0.5
118.04158	11.2
119.04938	4.6
119.08574	0.8
120.05726	1.2
121.02823	0.3
121.06493	1.7
121.10126	1.0
122.03661	0.3
122.07286	1.5
123.04385	0.3
123.08058	0.6
123.11671	0.6
124.05200	5.5
125.05946	0.4
127.03931	1.4
131.04886	0.9
131.08562	0.6
132.05733	0.4
133.02835	0.6
133.06485	17.3
133.10150	0.7
134.07285	1.5
135.04402	1.3
135.08055	3.1
135.11696	0.6
136.05215	0.3
137.05981	5.0
139.07549	0.5
145.10146	0.5
146.03653	0.3
147.04405	5.6
147.08008	0.4
147.11717	0.5
148.05182	0.3
149.00520	0.7
149.05954	1.0
149.09572	0.3
149.13261	0.4
150.06760	6.4
151.07542	3.6
151.11162	0.3
153.05511	0.3
159.11745	0.4
161.05975	3.8
162.06702	0.4
163.07526	1.1
165.05447	0.6
165.09105	11.7
167.07033	4.2
168.07425	1.5
175.07533	0.8
177.05463	0.7
177.09093	0.4
178.00850	0.3
178.06212	0.5
179.07047	3.4
179.10645	0.3
180.10185	0.7
181.04878	0.5
189.09122	0.6
190.09486	0.4
190.13005	0.2
191.10561	0.3
193.03194	5.6
193.08597	100.0
194.08939	1.0
195.06538	0.5
205.12379	0.4
223.09688	0.3
249.11302	0.4
282.07983	0.4
323.12790	2.4
349.37424	0.3
355.15283	1.6
458.29962	1.3
473.11536	0.3
475.30618	0.3
476.31027	4.5
494.31503	1.1
494.38351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	7.6
57.03413	2.8
57.06820	3.9
57.07071	50.3
61.02924	4.0
67.05494	15.6
69.03413	4.1
69.07047	9.8
71.04980	2.9
71.08626	31.8
71.88810	2.7
79.05460	4.7
81.07046	25.5
83.08615	14.0
85.02827	3.1
85.06537	2.9
85.10180	20.8
89.06068	2.6
93.07026	5.6
95.08591	35.7
96.91475	2.3
97.10150	7.4
105.07027	4.2
107.08594	5.2
109.10122	15.6
111.11721	3.8
119.08573	3.4
121.06574	3.2
121.10138	4.8
123.11655	3.9
133.10115	3.1
135.11577	2.6
137.13251	4.5
149.01254	2.7
153.05519	2.6
156.03577	2.9
158.29868	2.6
197.29898	2.9
239.23668	29.1
257.24725	5.0
313.27338	100.0
330.29160	3.2
331.28687	5.7
347.17178	13.0
354.91074	2.7
378.59818	2.7
475.17181	3.0
475.31250	3.9
493.18527	7.4
493.28775	5.6
518.15979	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3155
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
53.03925	1.7
55.01849	2.1
55.05507	9.4
57.03412	1.7
57.07058	2.9
59.04984	1.3
60.04452	0.7
60.35872	0.8
67.05498	14.4
69.03416	5.1
69.07059	27.8
71.03793	1.7
71.04967	2.0
72.08131	1.8
79.05483	9.1
81.03422	5.5
81.07046	29.5
82.07358	0.7
83.01317	1.2
83.04970	5.1
83.08614	5.5
83.57836	0.7
85.02891	2.2
85.06516	3.1
91.05467	8.7
91.96569	0.7
93.07032	11.6
94.79607	0.6
95.01360	0.9
95.04963	4.6
95.08038	1.1
95.08600	13.6
97.02894	1.7
97.06526	4.4
97.10160	2.3
99.00799	4.5
99.04447	2.6
99.08070	0.8
105.07011	9.0
107.04930	2.7
107.08588	10.9
109.02840	2.3
109.06525	3.7
109.09440	1.3
109.10142	14.7
109.48652	0.7
111.04412	1.8
111.08057	2.5
111.11687	2.3
113.02328	1.5
117.01820	1.6
117.07005	2.1
119.04903	1.5
119.08562	5.9
120.88365	0.8
121.02766	0.9
121.06525	2.4
121.10129	7.7
123.04397	2.5
123.08050	2.4
123.11689	8.6
125.05968	2.8
125.09617	2.7
127.03916	5.0
129.06931	1.8
131.04938	1.0
131.08513	3.7
133.06435	1.0
133.10109	5.3
135.04385	1.2
135.08022	2.4
135.11670	4.2
137.05952	5.3
137.09575	1.1
137.13220	1.3
139.03914	1.5
139.07518	2.4
139.11189	1.4
143.08557	2.3
145.06422	1.5
145.10112	3.1
147.04379	0.9
147.08029	0.9
147.11679	4.1
149.02347	1.5
149.05959	2.3
149.09592	2.8
149.13231	2.5
151.03917	1.1
151.07533	3.9
151.11160	2.4
153.05417	3.8
155.07027	2.0
157.05177	0.8
157.06427	0.8
157.10106	2.2
159.04443	0.9
159.11670	1.9
161.05949	2.7
161.09647	1.2
161.13228	1.9
163.03883	4.4
163.07518	2.6
163.11163	2.5
163.14780	0.9
165.05519	1.2
165.09067	2.8
167.07042	6.1
168.46944	0.8
169.04977	0.9
169.10126	0.8
171.11589	2.0
173.09595	1.5
173.13268	1.3
175.03932	1.1
175.07498	4.3
175.11143	1.7
175.14783	1.2
177.05457	2.5
177.09068	2.4
179.03386	0.9
179.07051	1.1
179.10683	1.2
181.04953	9.6
181.08543	1.0
183.06551	4.9
185.09544	0.8
187.03925	1.2
189.09122	5.5
189.10631	1.0
189.12628	0.9
189.16486	1.0
191.07019	2.0
191.10620	2.2
193.08563	0.8
193.12244	1.8
195.06502	22.9
199.06065	1.2
201.12759	1.1
203.10651	2.6
203.17886	0.9
205.08574	1.2
207.06496	2.3
207.10049	0.9
209.08083	10.7
215.10645	1.5
217.12166	1.0
221.08070	4.6
223.09633	15.5
227.12752	1.2
231.13733	1.2
235.09695	3.9
237.11183	8.3
239.09074	1.5
241.15662	0.8
247.09499	1.1
249.11169	5.2
251.12758	4.2
255.06465	1.6
255.13631	0.9
255.87582	0.8
257.15295	0.8
259.09497	1.0
263.12781	2.4
269.04276	0.7
271.16873	1.0
283.15649	1.3
287.16663	0.9
291.15836	5.6
303.15939	1.2
305.17374	6.3
307.18887	4.5
315.15863	1.5
317.17468	1.6
319.19083	3.6
331.18900	1.3
333.16901	3.4
349.19745	0.8
355.15216	3.2
387.17813	0.8
413.30386	1.4
431.31537	1.2
439.28268	2.4
457.29669	8.8
475.30579	100.0
476.30719	2.3
493.31787	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	493.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13669	0.2
53.03936	0.4
54.71856	0.2
55.01854	0.5
55.05255	0.4
55.05507	5.2
57.03419	0.3
57.07071	1.2
59.04997	0.7
65.03925	0.4
67.05498	4.1
69.03423	1.1
69.07063	16.3
69.93130	0.4
69.93542	1.2
71.04979	0.5
71.08617	0.2
73.06555	0.3
79.05493	2.6
81.03387	0.3
81.07049	10.2
83.01329	0.7
83.04975	0.8
83.08616	2.0
85.06533	0.8
91.05460	2.0
93.07037	3.6
95.01305	0.7
95.04977	1.2
95.08599	4.2
97.02909	0.3
97.06511	1.2
97.10172	0.8
98.21461	0.3
99.00806	3.4
99.04441	2.5
99.08093	0.5
105.07022	2.1
107.04966	0.4
107.08581	3.0
109.06516	1.1
109.10146	4.5
111.04457	0.5
111.08089	0.5
111.11720	1.3
113.02384	0.7
113.05930	0.4
117.01831	0.8
117.07003	0.5
119.04963	0.4
119.08551	1.8
121.06487	0.5
121.10123	2.0
123.04445	0.4
123.08054	0.7
123.11707	2.2
125.05968	0.7
125.09601	0.5
127.03918	0.7
127.11218	0.5
128.06311	0.2
131.08559	1.1
133.06598	0.3
133.10130	1.4
135.04425	0.5
135.08064	0.7
135.11720	1.3
137.05956	1.2
137.09651	0.2
137.13232	0.5
138.06825	0.3
139.07541	1.1
139.11200	0.3
143.04845	0.3
143.08600	0.3
145.10133	0.9
147.08044	0.5
147.11659	1.3
149.02362	0.7
149.05952	0.9
149.09654	0.3
149.13301	0.6
151.03983	0.3
151.07561	1.6
151.11201	0.8
153.05475	1.7
153.12695	0.3
155.06984	1.1
157.06555	0.4
157.10185	0.3
159.11673	0.6
161.05949	1.2
161.09625	0.4
161.13264	0.5
163.03909	1.2
163.07597	1.5
163.11172	0.5
165.05519	0.5
165.09106	0.8
167.07016	1.6
169.10083	0.3
171.08099	0.3
173.09657	0.4
175.07510	1.9
175.11198	0.4
175.14792	0.3
177.05478	1.7
177.09123	1.0
179.10654	1.0
181.04942	7.2
183.06534	3.1
187.07533	0.3
187.11092	0.2
189.09079	3.1
189.12708	0.4
191.07013	0.8
191.10628	0.7
193.04993	0.3
193.12242	0.8
195.06516	15.7
199.11235	0.3
201.09201	0.4
203.10666	1.1
205.08607	0.8
205.12276	0.3
207.06555	1.5
207.13814	0.4
209.08073	8.7
215.10629	0.5
217.08559	0.3
219.10103	0.4
219.13899	0.3
221.08052	2.3
223.09628	8.9
227.14313	0.4
229.12119	0.3
229.15865	0.3
231.10159	0.3
231.13875	0.8
235.09680	1.6
237.11180	6.2
239.08975	0.3
241.15904	0.3
245.15370	0.5
247.09665	0.5
249.11197	3.9
251.12691	1.8
255.13666	0.2
259.16992	0.4
260.06042	0.2
261.11218	0.4
263.12717	1.3
265.14319	0.4
269.15430	0.4
271.17041	0.3
277.14429	0.3
289.14288	0.6
291.15836	2.8
293.17514	0.3
299.76303	0.2
303.15967	0.7
305.17404	5.4
307.18985	3.5
315.16006	1.4
317.17441	0.5
319.18948	3.7
329.17480	0.4
333.16937	1.9
335.18280	0.3
347.18390	0.5
377.23337	0.3
431.31485	0.3
439.28049	0.3
457.29706	1.5
475.30603	9.1
475.37341	0.5
493.31586	100.0
494.31979	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	493.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96216	0.5
51.96468	0.5
53.03929	1.0
55.01859	1.4
55.05509	6.7
57.03425	1.4
57.07061	1.8
58.86750	0.5
59.04992	1.1
65.03903	0.6
67.05503	8.5
69.03430	2.9
69.07066	20.7
71.04974	1.6
71.08632	0.5
72.08138	0.5
73.06544	0.6
79.05490	5.1
81.03412	1.8
81.07053	18.9
83.01335	1.3
83.04955	2.6
83.08611	3.7
85.02926	1.3
85.06534	1.8
91.05471	4.1
93.07035	7.4
95.01315	0.8
95.04964	2.1
95.08601	9.1
97.02870	0.8
97.06523	1.3
97.10168	1.3
99.00806	4.7
99.04449	2.4
99.08096	0.8
105.07034	3.8
107.04932	1.6
107.08591	5.6
109.02874	2.2
109.06524	2.4
109.10155	9.7
111.04415	1.2
111.08054	1.4
111.11712	2.0
113.02333	1.2
113.06022	0.6
117.01848	0.8
117.07009	1.5
119.04954	0.7
119.08590	4.1
121.06510	1.7
121.10144	4.4
123.04425	0.9
123.08056	1.4
123.11718	5.0
125.05987	1.8
125.09619	1.8
127.03920	2.2
127.11169	0.9
129.07022	0.6
131.08577	1.2
133.06512	1.0
133.10107	4.1
135.04367	0.6
135.08076	1.7
135.11671	2.9
137.05974	3.2
137.09621	1.1
137.13232	1.2
139.03893	0.9
139.07578	0.9
139.11197	1.3
142.07828	0.6
143.08582	1.0
145.06503	0.7
145.10066	2.5
147.04459	0.6
147.11658	1.9
149.02362	0.8
149.05980	1.2
149.09619	1.0
149.13268	1.3
151.03873	1.0
151.07559	3.0
151.11169	0.7
153.01808	0.9
153.05508	2.9
153.12798	0.9
155.07022	1.6
156.96571	0.5
157.10181	1.1
159.08066	0.7
159.11710	1.7
161.06010	1.5
161.09607	0.8
161.13272	1.3
163.03917	1.5
163.07559	2.4
163.11197	1.2
163.14862	0.8
165.05539	0.8
165.09119	3.4
167.07040	6.6
169.04951	0.6
171.02939	0.7
171.08046	0.5
173.09558	0.8
175.07492	3.1
175.11200	1.0
177.05504	1.7
177.09135	1.3
177.16435	0.6
179.07074	0.8
179.10664	0.9
181.04951	7.1
183.06529	4.1
183.11772	0.5
187.11182	0.5
189.09140	4.1
189.12909	0.8
191.07040	1.2
191.10643	1.2
193.12283	1.2
195.06520	19.4
195.08215	1.1
199.14816	0.8
203.10670	1.9
205.08636	1.5
205.12283	1.2
207.06522	2.1
209.08069	8.9
209.11620	0.8
217.12228	0.8
219.10225	1.0
221.06253	0.6
221.07991	3.3
223.09619	11.1
229.29642	0.9
231.13783	1.1
235.09650	3.2
237.11162	6.5
245.15427	0.7
247.16974	0.5
249.11140	4.2
251.12794	2.3
263.12833	1.2
265.14313	0.6
271.16870	0.7
289.14325	1.2
291.15884	2.7
303.15833	0.6
305.17441	9.6
305.20602	0.8
306.18008	0.6
307.19006	3.6
315.15936	1.9
319.19058	4.5
329.17404	0.6
333.16953	3.1
353.19516	0.6
413.30539	0.9
414.27039	0.6
431.31589	1.3
439.28940	0.8
457.29602	3.3
475.30624	10.1
493.31619	100.0
494.32117	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	493.2794
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.25506	1.0
52.16948	1.2
53.03925	4.6
55.01666	1.0
55.01867	10.8
55.05266	2.0
55.05507	26.2
57.03429	12.1
57.07054	2.7
59.04968	3.5
65.03917	3.4
67.05499	34.8
69.03429	8.4
69.07060	12.8
70.16354	6.2
71.04984	7.4
73.02860	1.5
79.05488	40.1
81.03411	62.0
81.07050	50.5
83.01336	8.4
83.04973	24.4
83.08148	1.4
83.08612	25.6
85.02436	1.5
85.02895	24.1
85.06534	6.4
86.00240	1.4
91.05474	39.2
93.06478	2.6
93.07037	45.2
95.04966	28.2
95.08605	23.6
97.02856	6.4
97.06531	9.8
97.10162	6.4
99.04411	4.6
99.08070	2.1
103.05392	1.8
105.07027	32.0
107.04958	15.4
107.08583	22.6
109.02882	2.3
109.06510	11.0
109.10149	13.4
111.04421	10.9
111.08072	10.2
113.05963	1.6
115.05424	2.0
117.07038	10.1
119.04906	3.7
119.08569	25.9
121.02863	1.6
121.06472	6.4
121.10141	21.1
123.04391	4.0
123.08053	7.1
123.11697	8.2
125.02307	1.4
125.05965	3.7
125.09581	4.3
127.03854	3.8
128.06108	1.5
129.07001	9.9
130.07745	1.6
131.04887	1.9
131.08568	14.2
133.06450	4.2
133.09393	1.2
133.10138	11.8
135.04384	1.5
135.07982	4.5
135.10844	1.3
135.11694	16.1
137.05930	4.4
137.09566	5.3
137.13229	2.2
139.03876	2.0
139.07491	2.7
142.07753	2.4
143.08560	1.7
145.10104	18.0
147.04478	2.6
147.08041	6.5
147.11668	13.7
149.05966	2.5
149.09618	7.3
149.13206	3.1
151.07530	4.2
151.11108	2.4
153.05379	4.9
153.09000	1.7
153.12749	6.5
155.08551	4.0
157.10132	9.4
159.11700	2.3
161.05956	1.5
161.09549	1.9
161.13274	2.9
163.03897	1.8
163.07457	2.6
163.11177	28.0
165.09123	1.7
165.12790	3.0
167.07031	24.3
171.11586	1.6
173.09628	7.3
175.03970	2.1
175.11151	11.4
175.14653	1.5
177.05421	1.9
177.12727	1.7
181.04994	1.4
181.08385	1.2
181.12227	9.0
185.13170	1.6
189.09035	2.2
189.12799	1.3
191.10709	8.6
193.08496	1.3
193.12224	42.8
199.05836	1.9
205.12119	2.2
207.06456	4.5
207.10077	1.7
209.11742	7.1
211.11311	2.9
211.13274	49.2
211.15251	2.6
217.08470	1.4
227.12717	7.7
239.09200	1.5
249.14758	2.2
265.14304	2.4
267.15814	5.1
283.15387	7.7
320.02335	1.2
355.22424	1.5
383.22018	3.4
439.28571	2.3
457.25076	1.9
457.29718	2.1
475.25760	3.2
475.30759	3.9
493.27713	100.0
494.28030	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	493.1855
Annotation	Aglafoline
Peak:m/z	Relative Intensity
53.92747	1.2
55.01874	1.6
55.05500	3.0
61.82526	1.2
65.03947	1.4
67.05487	4.5
69.03416	8.7
69.07073	3.3
71.12688	1.2
71.62244	2.2
75.12344	1.1
79.05496	7.0
81.03408	2.6
81.07053	11.7
85.02886	2.0
91.05475	10.6
93.07025	7.8
95.04974	2.5
95.08598	5.0
96.14426	1.3
104.28867	1.2
105.07041	6.1
107.04945	5.2
107.08587	5.7
109.06508	12.1
109.10146	3.6
111.04464	1.5
117.99487	1.4
119.04965	2.1
119.08607	3.9
121.06529	2.9
121.10131	2.8
123.04465	2.2
128.06239	2.8
129.07010	2.2
131.04893	1.5
131.08571	4.6
133.10097	1.5
135.04419	6.3
135.08041	2.4
135.11635	1.5
137.02345	3.4
137.06021	1.8
143.08556	3.9
145.06454	2.4
147.04424	3.2
147.08098	1.4
149.06039	1.6
149.09612	14.8
153.05472	2.3
155.08571	2.1
159.08031	2.1
160.05148	1.7
161.05960	3.8
163.07436	1.3
163.11240	1.5
167.07031	3.0
171.08040	2.2
173.06003	2.1
175.03932	2.0
175.07553	2.8
177.05449	3.6
177.09225	3.7
187.07481	1.9
189.05539	1.5
189.09108	3.6
191.03430	4.0
195.06535	2.8
199.07535	3.2
201.05452	2.3
201.09171	1.7
203.03357	16.2
203.07031	3.0
205.04974	5.7
209.04492	2.6
213.09129	1.8
217.05045	1.7
217.08601	3.2
221.04439	3.8
227.07085	5.5
229.05099	1.3
229.08607	2.3
230.05649	2.0
231.10242	2.1
239.07001	1.6
245.08092	68.2
257.08081	2.1
263.09140	79.0
349.07129	4.0
361.06915	1.8
363.08606	1.8
377.10486	1.6
379.11847	3.0
381.09552	3.4
385.10605	2.5
390.10934	3.8
403.11765	12.4
418.13971	3.6
421.12714	5.5
431.15137	2.7
437.16440	1.5
449.15991	2.8
457.16525	5.0
475.17538	39.2
493.18585	100.0
493.27591	3.3
494.18976	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	493.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09685	0.3
53.03941	0.6
55.01873	0.7
57.03427	0.8
57.09092	0.3
61.02914	1.0
67.01863	0.4
68.99786	0.4
69.03083	0.3
69.03429	5.4
69.07064	0.5
69.33357	3.5
70.06586	0.8
70.15077	0.3
71.05009	0.6
72.08132	1.4
73.02896	0.4
79.05463	0.4
80.46986	0.6
81.03423	1.7
84.08123	0.4
85.02900	8.3
87.04501	0.5
91.03908	0.4
91.05476	0.5
92.99772	0.5
93.03405	0.6
93.07022	0.5
95.04973	0.4
95.08620	0.4
97.02884	2.5
99.04453	0.6
105.03394	0.4
107.04929	0.5
107.08569	0.3
109.02863	1.7
111.04455	0.5
117.03391	0.3
118.04220	0.3
119.04904	0.7
121.02857	1.4
121.10154	0.5
123.04406	0.7
127.03905	2.9
128.87068	0.3
129.05446	0.3
131.04921	0.4
133.02888	0.6
133.10086	0.4
135.04404	0.5
137.02362	2.4
139.65247	0.3
145.02827	0.4
145.04971	1.7
147.04399	2.2
149.09523	0.6
150.03098	1.0
151.03906	1.2
153.01848	0.9
155.08504	0.4
161.02335	1.1
165.05505	0.4
165.06982	0.5
167.03363	1.2
173.13220	0.4
175.03873	1.0
177.01840	0.5
179.01799	0.7
179.03387	13.4
183.08009	1.1
189.05652	0.4
191.03331	0.4
191.14249	0.5
191.61325	0.3
195.02873	0.6
197.04414	0.8
211.07497	1.2
221.06003	0.5
229.08620	1.4
235.14485	0.4
239.07074	2.0
243.06566	0.9
245.04463	2.3
257.08023	3.2
263.05594	0.7
267.06528	2.8
269.04544	0.3
271.05997	0.6
283.05591	0.4
285.07559	1.2
289.03522	1.7
289.06534	0.4
295.06000	6.1
313.07037	100.0
314.07553	1.9
316.05746	2.2
321.07520	0.5
325.06949	1.4
331.08093	88.3
332.08447	1.4
379.07907	0.5
445.09106	0.3
457.09183	1.0
475.10471	1.2
493.11102	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Tricin 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.09685	0.3
53.03941	0.6
55.01873	0.7
57.03427	0.8
57.09092	0.3
61.02914	1.0
67.01863	0.4
68.99786	0.4
69.03083	0.3
69.03429	5.4
69.07064	0.5
69.33357	3.5
70.06586	0.8
70.15077	0.3
71.05009	0.6
72.08132	1.4
73.02896	0.4
79.05463	0.4
80.46986	0.6
81.03423	1.7
84.08123	0.4
85.02900	8.3
87.04501	0.5
91.03908	0.4
91.05476	0.5
92.99772	0.5
93.03405	0.6
93.07022	0.5
95.04973	0.4
95.08620	0.4
97.02884	2.5
99.04453	0.6
105.03394	0.4
107.04929	0.5
107.08569	0.3
109.02863	1.7
111.04455	0.5
117.03391	0.3
118.04220	0.3
119.04904	0.7
121.02857	1.4
121.10154	0.5
123.04406	0.7
127.03905	2.9
128.87068	0.3
129.05446	0.3
131.04921	0.4
133.02888	0.6
133.10086	0.4
135.04404	0.5
137.02362	2.4
139.65247	0.3
145.02827	0.4
145.04971	1.7
147.04399	2.2
149.09523	0.6
150.03098	1.0
151.03906	1.2
153.01848	0.9
155.08504	0.4
161.02335	1.1
165.05505	0.4
165.06982	0.5
167.03363	1.2
173.13220	0.4
175.03873	1.0
177.01840	0.5
179.01799	0.7
179.03387	13.4
183.08009	1.1
189.05652	0.4
191.03331	0.4
191.14249	0.5
191.61325	0.3
195.02873	0.6
197.04414	0.8
211.07497	1.2
221.06003	0.5
229.08620	1.4
235.14485	0.4
239.07074	2.0
243.06566	0.9
245.04463	2.3
257.08023	3.2
263.05594	0.7
267.06528	2.8
269.04544	0.3
271.05997	0.6
283.05591	0.4
285.07559	1.2
289.03522	1.7
289.06534	0.4
295.06000	6.1
313.07037	100.0
314.07553	1.9
316.05746	2.2
321.07520	0.5
325.06949	1.4
331.08093	88.3
332.08447	1.4
379.07907	0.5
445.09106	0.3
457.09183	1.0
475.10471	1.2
493.11102	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.03790	0.1
55.01852	0.2
55.05500	0.2
57.03425	0.1
62.82022	0.1
64.71035	0.1
65.03943	0.1
68.99773	0.3
69.03416	0.3
70.06583	0.6
70.41759	0.5
71.04990	0.2
72.08144	1.0
79.05479	0.2
81.03412	0.1
81.07040	0.2
84.08137	0.4
85.02896	0.3
95.04914	0.2
95.08551	0.1
105.03414	0.3
107.04922	0.3
109.02889	0.2
110.02380	0.2
111.04430	0.1
111.80266	0.1
119.04913	0.2
121.02829	0.3
123.04378	0.2
127.03841	0.3
129.10249	0.1
131.04990	0.1
133.02866	0.2
134.52318	0.1
135.04378	0.3
137.05972	0.5
139.03894	0.5
140.04709	0.2
147.04414	1.1
149.02316	0.5
150.03094	0.5
153.01825	1.9
153.05444	0.3
163.03905	0.6
164.04659	0.3
167.03391	12.4
170.02071	0.3
173.05933	0.2
175.03894	0.3
177.01820	0.2
177.05377	0.1
189.05446	1.6
190.06242	1.3
191.03416	0.7
193.04961	0.3
200.04680	0.4
201.05412	0.4
203.03467	0.2
204.04173	0.1
205.04927	0.7
206.05708	0.4
212.04773	0.2
214.06270	0.2
215.07094	0.4
216.04211	0.2
217.04964	0.8
218.05751	2.0
219.06509	3.4
221.69528	0.1
223.06117	0.2
226.06017	0.1
227.03300	0.1
227.06996	0.2
228.04192	1.6
229.04858	0.7
231.03021	0.3
231.06497	0.3
232.07292	0.2
241.04988	0.2
242.05704	0.5
243.06503	3.5
245.04475	0.5
246.05226	0.5
247.05997	2.3
256.03873	0.1
257.04352	0.4
259.06003	0.6
261.07651	0.4
270.05185	0.3
271.05991	4.1
272.06909	0.2
273.03979	0.4
275.09067	0.4
281.04477	0.2
284.03076	0.5
285.07541	0.2
287.05258	0.2
288.06183	0.5
297.04071	0.7
298.04681	3.1
299.05490	1.2
301.03360	2.1
303.08603	0.4
313.07034	1.7
315.04977	0.4
316.05759	11.2
331.08093	100.0
332.08490	1.4
361.07166	0.3
391.07999	0.2
398.30200	0.1
475.10190	0.3
493.12726	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	492.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.2
57.07071	6.0
66.38319	5.5
68.53512	4.4
69.07053	22.1
69.23083	4.6
70.87672	13.4
81.07040	13.2
83.08606	16.6
89.09295	5.3
90.48990	5.2
95.08607	10.7
97.10153	10.7
115.56539	4.3
137.05997	10.2
151.07579	22.8
161.05852	5.3
162.58385	4.7
165.05457	9.7
165.09183	6.0
167.07033	92.7
177.09149	6.5
190.38449	5.1
205.08652	12.1
207.10126	13.3
214.62549	4.8
315.30539	4.5
411.32684	8.4
429.33838	29.4
447.34647	100.0
450.74554	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	493.1339
Annotation	Lagotiside
Peak:m/z	Relative Intensity
53.03961	1.3
55.01880	1.2
55.05518	1.6
57.03437	2.9
61.02927	3.3
65.03963	0.5
67.05511	1.0
69.03423	11.8
69.07077	1.2
70.06578	2.3
71.01335	0.5
71.05000	1.2
71.17517	0.8
72.08152	4.9
73.02933	1.5
79.05510	1.8
81.03407	4.0
81.07052	2.2
83.01362	0.5
83.05020	0.5
84.08167	1.7
85.02898	19.4
86.09714	1.7
87.04448	2.3
89.10824	0.9
91.03960	0.9
91.05506	1.8
92.99772	0.6
93.03396	0.4
93.07064	1.3
94.06584	0.4
95.05003	0.8
95.08629	1.8
97.02887	7.0
97.06528	0.9
98.06062	0.7
98.09708	0.5
99.04475	1.6
101.02383	0.5
101.05914	0.4
105.03421	0.9
105.07051	1.7
107.04962	1.0
107.08619	1.5
108.08942	0.7
109.02892	2.8
109.06523	0.8
109.10176	1.3
110.07211	0.5
110.10524	0.4
111.04410	0.7
115.03974	0.4
115.05457	0.6
115.08711	0.8
117.06987	0.5
119.04932	1.0
119.08583	1.0
120.08130	0.8
120.08897	0.5
121.02905	0.9
121.06512	0.4
121.10143	1.3
123.04437	1.0
123.08135	0.6
123.11734	0.8
127.03904	5.3
129.10219	0.5
131.04973	0.4
131.08562	1.8
132.08920	0.8
133.10136	1.5
134.10521	0.4
135.04414	0.7
135.08046	0.6
137.02322	2.1
137.06012	1.5
138.05510	0.8
145.04951	1.9
145.10123	1.0
147.04402	4.4
147.08002	0.5
149.02289	0.4
149.13309	0.9
151.03928	1.1
151.07555	0.5
151.61644	0.4
157.10091	0.6
159.11763	0.7
161.02379	1.2
161.09554	0.4
163.03963	0.9
165.05551	0.8
165.06946	0.8
167.07088	1.0
173.06094	0.4
173.13197	2.0
174.13612	1.4
175.03952	1.1
179.03392	12.1
183.08031	0.5
187.07550	0.6
189.05479	0.7
191.14326	0.6
195.02888	2.8
197.04353	0.6
197.05995	0.6
199.03883	0.4
206.04533	0.4
209.15349	0.6
210.15645	0.7
211.07536	1.1
215.07133	0.5
217.04886	0.5
218.11806	0.4
229.08627	1.9
239.07152	1.6
243.06444	0.5
245.04539	1.5
255.06619	0.7
256.15479	0.5
257.08035	3.5
258.11423	0.5
267.06531	2.7
285.07483	1.0
289.03452	1.1
295.05994	5.4
295.15576	1.0
311.05447	0.9
311.83948	0.4
312.06232	1.3
312.16275	0.7
313.07025	100.0
314.04031	0.4
314.07315	2.0
316.04977	0.5
325.07162	0.5
329.06473	1.2
330.06827	1.0
331.08087	73.7
332.08380	1.4
337.06955	0.7
355.08054	2.7
373.09464	0.7
453.97519	0.5
475.12222	4.3
492.30182	1.7
493.13211	20.6
493.30054	5.4
494.13757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05503	2.4
59.04988	0.4
65.03928	0.8
67.05497	2.5
68.09539	0.4
69.03418	2.1
69.07063	0.8
69.43644	4.7
70.06574	1.5
70.32792	0.5
71.04987	5.1
72.08142	1.2
73.02905	0.5
79.05467	1.3
81.03424	2.7
81.07051	2.9
83.04981	1.9
83.08630	1.9
85.02908	4.1
85.06546	1.1
87.00829	1.5
91.05476	1.5
93.07036	2.1
95.04962	100.0
95.08605	1.6
96.05274	0.8
97.02882	2.7
97.06527	1.6
98.06051	0.5
98.21554	1.0
99.04446	20.4
99.08115	0.9
105.01864	1.2
105.07014	2.3
107.08591	3.5
109.02878	2.0
109.06516	1.8
109.10148	1.6
111.08075	1.7
119.04940	0.7
119.08586	1.3
121.06520	0.6
121.10130	2.4
123.04445	0.5
123.08054	1.1
123.11718	0.9
124.03946	0.7
125.05987	0.9
125.09624	2.7
127.03895	3.1
131.08575	1.5
133.10130	6.7
135.08084	1.7
137.06000	1.4
139.11192	0.9
145.04982	0.8
145.10156	0.9
147.04388	1.1
147.11655	1.5
149.09605	1.5
149.13257	1.0
151.11174	6.8
153.09093	32.2
161.13190	0.6
163.11125	0.5
163.14804	0.8
165.09117	0.5
167.07039	1.0
167.14307	3.7
173.13254	4.5
175.07477	0.5
181.12254	1.2
189.03871	0.4
191.14276	4.7
207.13754	0.6
209.15356	53.7
217.12332	0.5
227.16425	2.7
251.16469	1.4
307.20770	0.5
317.17523	1.2
331.07965	0.9
388.40060	0.6
421.18536	1.4
457.20758	2.3
492.16513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01855	1.5
55.05254	0.6
55.05506	8.4
56.04993	0.4
57.03423	1.3
57.07056	0.3
59.04963	0.4
61.02909	1.3
65.03920	0.5
67.05502	2.0
68.89413	0.4
68.99762	0.4
69.03080	0.4
69.03427	6.2
69.07050	1.6
69.92747	1.1
69.93172	1.2
70.06577	1.4
71.04989	3.9
72.08150	2.4
73.02902	1.6
74.06064	0.3
79.05479	1.6
80.09549	0.4
81.03416	7.9
81.07043	2.9
83.04977	8.3
83.08614	9.3
84.04499	0.5
84.08144	0.8
84.86243	0.4
85.02898	13.0
85.06518	1.0
86.09685	0.5
87.00829	4.9
87.04433	0.9
89.10776	0.4
90.50106	0.4
91.03938	0.5
91.05478	2.0
93.03359	0.4
93.07043	3.1
95.04964	41.6
95.08591	2.5
97.02291	0.4
97.02892	6.5
97.06539	2.2
97.10155	1.2
98.06020	0.4
99.04449	13.4
99.08054	0.5
105.01867	3.4
105.07038	2.8
107.04980	0.8
107.08596	4.3
109.02876	6.0
109.06527	2.1
109.09444	0.6
109.10145	7.4
111.08101	2.0
115.05305	0.4
116.07036	0.4
117.01874	0.6
117.06946	0.6
119.04932	1.3
119.08581	3.0
121.02852	1.3
121.10137	3.1
123.04465	0.4
123.08054	1.2
123.11724	2.7
125.05994	0.6
125.09587	1.8
127.03905	11.4
128.04224	0.5
129.01830	1.2
131.04971	0.4
131.08589	1.7
131.70259	0.4
133.10133	7.6
135.08003	1.1
135.11676	0.6
137.05919	0.4
137.09593	1.2
138.05516	0.4
139.11253	0.8
140.03432	0.9
140.07033	0.5
143.08481	0.5
145.04941	3.7
145.10124	0.8
147.04399	2.8
147.11653	1.7
149.02324	1.4
149.09645	0.6
149.13245	2.2
151.03874	0.7
151.07494	0.4
151.11168	12.4
152.07079	0.4
153.09091	16.2
153.10338	0.8
158.10881	0.5
159.02866	3.2
163.11172	0.3
163.14812	0.8
165.12701	0.5
167.03519	0.5
167.07047	1.4
167.14297	14.4
173.13251	3.8
175.14813	3.8
177.05484	1.0
178.04079	0.4
179.03374	4.7
181.12230	0.5
191.14317	3.8
193.15915	2.4
194.12157	0.3
197.04440	4.5
209.15352	100.0
210.15689	2.3
213.05574	0.5
227.16463	3.2
231.04900	1.7
265.04880	0.6
295.05905	1.7
313.07037	6.7
313.10629	0.5
331.08115	1.8
421.18414	0.6
457.20813	0.8
475.12311	10.5
492.17834	0.4
496.75140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15272	1.0
53.03935	2.9
55.01862	3.4
55.05498	2.0
55.20311	0.9
57.03424	3.6
57.07074	1.6
59.04993	1.2
61.02915	1.5
62.99752	1.1
66.44100	0.9
67.05484	3.5
69.03422	14.8
69.07055	3.9
69.29907	2.4
69.30311	10.2
70.06583	1.2
71.04976	3.4
72.08120	1.4
73.02914	2.2
79.05489	3.7
81.03407	10.4
81.07053	9.6
82.14707	1.0
83.04977	2.3
83.08605	3.1
85.02897	36.0
85.06528	4.1
85.80932	0.9
87.00824	16.5
91.05465	3.6
93.07035	7.3
95.04962	14.3
95.08582	7.5
97.02885	15.2
97.06529	11.3
98.21524	1.7
99.04433	7.2
99.08076	3.1
105.01856	17.0
105.07032	12.5
106.02898	2.2
107.08595	12.2
109.02876	9.7
109.06504	25.7
109.10150	8.8
109.82832	1.0
111.04457	1.2
111.08079	3.0
113.09641	1.0
115.07560	6.1
117.01865	2.1
119.08571	7.4
121.10129	16.1
123.08073	5.5
123.11702	3.6
124.03963	5.8
125.09633	1.2
127.03903	24.5
127.04757	0.8
127.07597	1.6
129.01848	1.0
131.08554	9.0
133.10112	49.8
135.08002	6.4
135.11693	3.8
137.09579	1.3
138.05519	1.3
139.11183	2.4
143.08551	1.3
145.04970	7.0
145.10107	4.5
147.04396	1.1
147.11655	19.3
149.09590	6.2
149.13254	3.9
151.07544	1.4
151.11147	2.7
153.09085	12.8
158.10886	3.0
159.02875	5.8
163.11165	1.8
163.14832	4.0
165.12715	5.3
167.14349	1.5
171.10237	1.3
173.13246	26.4
175.14806	3.2
191.14296	38.7
207.13852	1.7
209.15344	74.0
210.15739	1.3
225.14812	2.5
227.16400	100.0
228.16748	2.3
231.04913	4.9
268.08218	1.9
286.09204	1.5
331.08035	3.8
338.63968	1.1
439.19629	2.4
457.20749	1.2
475.21677	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	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16548	0.7
53.03931	1.3
55.01864	1.9
55.05509	3.8
57.02523	0.6
64.99656	0.6
67.05497	3.2
69.03429	5.3
69.07056	1.9
70.06584	4.8
71.04987	1.4
72.08150	7.4
78.80292	0.7
79.05499	4.7
81.03415	5.4
81.07055	6.8
82.06583	1.1
83.04977	3.8
83.08606	3.2
84.04489	0.8
84.08125	1.9
85.02893	9.7
85.06528	1.4
86.09718	1.7
87.00829	3.5
89.27701	0.7
91.05476	3.8
93.07054	4.7
94.06570	0.9
95.04960	9.9
95.08611	3.2
96.08110	1.5
97.02883	5.8
97.06519	2.2
98.03204	0.7
98.06064	0.9
98.09684	1.2
99.04448	3.6
100.11251	7.7
103.05441	0.7
105.01867	3.8
105.07019	6.7
107.08588	10.2
109.02889	4.1
109.06504	11.0
109.10133	5.6
110.06031	0.7
111.04397	1.0
111.08070	1.7
112.07594	0.9
115.03980	0.7
119.04935	0.9
119.08578	4.1
121.02852	2.2
121.06532	0.7
121.10136	7.0
123.04436	0.8
123.11694	1.5
124.07597	1.2
127.03905	11.0
127.31330	0.6
128.04233	1.1
131.08548	4.0
133.10121	21.0
135.08046	2.6
135.11668	2.4
136.07524	0.8
137.05978	2.8
137.09631	0.8
138.05496	15.6
139.11171	2.2
139.12303	5.9
140.03418	1.3
143.08499	0.9
145.02837	0.8
145.04926	3.2
145.10117	1.7
147.04425	6.0
147.11676	4.9
149.13261	5.1
151.11174	2.4
152.07095	0.8
153.09119	4.6
158.10901	1.7
159.02875	1.3
161.05940	0.9
163.03923	0.8
163.11174	0.8
163.14877	0.9
163.23383	0.7
167.07071	1.3
167.14293	1.5
169.09744	0.7
173.13254	11.3
175.14827	7.0
177.05473	1.2
182.15404	1.7
189.19534	0.7
191.14307	19.9
196.46419	0.6
209.15286	13.7
210.14865	1.7
218.11749	0.9
221.16493	1.0
227.16371	4.8
231.05070	1.3
235.14539	0.7
249.16032	0.8
266.87289	0.8
302.08493	1.0
312.08472	0.8
313.07101	1.3
329.06396	1.0
330.06906	2.2
331.08380	0.7
365.29175	1.1
375.25076	0.8
474.34244	3.3
492.30124	100.0
492.35425	8.6
493.18408	0.9
493.30215	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	1.3
53.03936	4.7
55.01866	4.1
55.05505	16.0
57.03421	5.3
57.07067	4.4
59.04987	2.2
61.02925	4.5
63.17495	1.3
67.05493	10.3
68.99812	2.1
69.03421	22.4
69.07072	10.2
70.06580	13.6
70.87774	2.5
70.88120	1.1
71.04987	7.9
72.02350	1.5
72.08150	32.2
73.02915	3.1
73.08472	1.3
79.05482	8.7
81.03411	13.4
81.07050	24.7
83.04965	14.6
83.08610	8.6
84.08139	6.9
85.02895	41.8
85.06538	5.9
86.09701	16.6
87.00813	11.2
87.04460	2.9
88.03979	1.5
91.03967	1.4
91.05472	11.8
93.07037	16.3
95.04965	22.8
95.08599	12.8
97.02888	17.1
97.06524	11.5
97.10128	1.5
99.04439	11.0
105.01373	1.2
105.01872	11.3
105.07023	21.5
107.08585	24.9
109.02863	12.3
109.06516	26.1
109.10150	29.9
111.04456	1.4
111.08083	4.4
113.05994	2.3
115.03953	1.7
115.05437	1.4
115.07545	3.7
115.08646	1.6
116.07021	1.6
117.01898	1.8
117.06987	3.0
119.08572	20.6
120.08051	2.8
121.06470	2.4
121.10145	29.6
122.02382	2.2
123.04395	2.2
123.08025	7.2
123.11681	9.2
124.03943	4.5
125.09620	5.2
127.03902	24.2
129.10208	7.0
131.08554	17.1
133.06589	1.4
133.10118	53.9
135.04457	1.5
135.08064	8.0
135.11674	6.2
137.02301	2.0
137.05956	2.7
137.09628	3.0
137.13202	1.6
138.05496	38.5
139.11159	5.5
143.08553	4.6
143.11761	10.7
145.04968	9.6
145.10098	7.4
147.04402	5.0
147.11670	18.7
149.06015	2.0
149.09602	2.0
149.13263	12.6
151.07559	3.0
151.11169	15.8
153.01811	2.6
153.09120	11.2
156.09373	1.7
157.09865	2.2
158.10861	6.6
159.01677	1.7
159.02878	5.4
163.03893	2.0
163.11177	1.8
163.14799	7.6
165.12726	5.4
166.10577	1.4
167.07074	3.7
167.08624	1.2
167.14342	13.9
171.02914	1.8
171.11400	3.4
173.13252	33.7
175.03867	1.6
175.14812	38.6
179.03372	7.7
181.15787	2.2
191.14284	34.7
192.16512	1.4
193.15869	10.4
195.02831	7.5
209.15349	100.0
218.11900	1.9
227.16417	24.9
231.04973	3.1
242.12059	2.6
249.05750	1.9
267.06717	1.8
268.08102	2.3
283.05942	1.3
284.06406	1.6
294.15176	5.9
295.06009	4.3
312.05853	1.8
312.16177	7.7
313.07019	67.0
314.03958	1.7
315.04404	2.6
329.06430	3.1
330.06644	9.0
330.10214	1.7
331.08112	54.1
355.07910	1.5
430.16364	4.3
468.33890	1.4
492.16827	15.6
492.25073	11.3
492.31778	3.1
493.13095	16.0
517.27197	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	492.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05240	0.2
55.05494	0.3
57.03409	0.2
60.04512	0.2
65.03926	0.2
67.05499	0.3
68.05032	0.2
69.03416	0.7
69.07035	0.3
69.72633	0.9
69.73038	0.4
70.06571	0.6
72.08162	1.0
72.35370	0.2
79.05459	0.2
81.03403	0.4
81.07044	0.3
83.04988	0.3
84.04512	0.2
84.08144	0.4
85.02899	1.1
85.07636	0.3
86.06069	1.6
87.04451	0.5
89.10736	0.2
91.05488	0.4
91.45765	0.2
92.05029	0.2
92.42924	0.2
93.05773	0.5
93.07040	0.4
94.06560	3.1
95.04948	0.3
96.04488	0.6
96.08099	0.3
97.02882	0.5
97.06453	0.2
98.06060	0.3
98.09688	0.3
99.04404	0.2
101.06046	0.2
103.94295	0.2
104.07089	0.4
105.07017	0.4
107.08579	0.3
109.02871	0.3
109.06503	0.2
110.06029	3.5
111.33613	0.2
112.07548	0.3
119.04942	0.2
120.08087	0.3
121.06527	0.2
121.10095	0.2
122.06003	0.6
124.07559	0.3
124.11217	0.4
125.04725	1.1
127.03926	0.5
128.07057	0.2
131.04906	0.2
131.08510	0.2
131.10703	0.2
133.06505	0.2
133.10107	0.4
138.05490	100.0
139.05861	0.9
140.07037	0.4
145.04839	0.2
147.03409	0.2
147.04384	1.0
147.11661	0.2
150.09109	0.2
152.07056	0.7
162.09096	0.3
163.02737	0.3
164.06955	0.3
173.13220	0.2
180.06436	0.2
180.10143	0.5
186.07581	0.2
188.86554	0.2
194.08209	0.2
198.11226	1.8
209.15422	0.5
220.09657	0.4
225.40956	0.2
230.10254	0.4
238.10844	0.4
248.11281	1.1
265.19083	0.6
266.10162	0.4
269.39835	0.2
278.35510	0.2
280.64487	0.2
282.09802	0.6
289.11179	0.3
330.15582	0.2
432.19949	0.3
474.26874	0.3
492.18613	38.8
493.18875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2425
Annotation	Millewanin C
Peak:m/z	Relative Intensity
51.52065	0.2
53.03953	0.2
53.41389	0.1
55.01873	0.3
67.05513	0.4
69.07048	0.5
69.97471	0.7
69.97859	0.3
77.85120	0.1
79.05492	0.4
81.03410	0.5
81.07052	0.5
89.03906	0.4
93.07030	0.5
95.08622	0.3
105.07015	0.4
107.04942	0.3
107.08573	0.5
109.02869	1.6
109.10149	0.6
117.03357	0.5
117.06977	0.2
117.34628	0.2
119.08624	0.2
123.04414	0.2
135.04404	1.1
135.08051	0.2
135.11679	0.5
137.02335	1.5
139.99640	0.2
142.15564	0.1
153.06989	0.5
161.13229	0.2
167.03404	0.3
171.08112	0.1
173.06004	0.2
177.01793	2.0
179.03435	0.4
181.06470	0.6
183.04440	0.3
185.75398	0.2
195.02878	9.2
199.07529	0.2
201.05432	0.2
209.05962	0.6
227.07077	1.1
237.05508	0.6
239.06956	0.3
255.06564	0.8
265.04996	0.6
283.06015	0.7
293.04446	1.3
299.05487	0.3
301.07166	0.3
311.05472	100.0
312.05826	2.8
313.07022	12.4
314.07321	0.5
325.07120	1.3
327.08725	0.2
337.06964	0.3
339.08643	0.4
351.08740	0.3
353.10101	2.6
355.88058	0.2
356.11734	0.2
361.10779	0.3
365.10220	0.4
367.11731	7.4
368.11920	0.2
379.11746	1.0
407.15125	0.2
435.18015	18.7
436.18051	0.8
491.24115	6.7
491.30276	1.6
491.36386	0.8
492.24744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
60.05645	58.3
68.77161	1.9
69.00900	7.6
69.03430	3.8
70.06573	2.6
71.61179	3.4
72.08160	9.7
84.04507	1.8
84.08160	2.3
85.02908	5.9
86.03546	54.0
89.10818	2.0
98.06062	1.9
100.72421	1.9
101.35178	1.7
105.07073	2.3
109.02897	2.1
119.05009	1.8
119.69731	1.5
120.04478	10.7
127.03925	3.1
130.06517	2.1
132.04427	2.0
138.05511	3.8
140.06984	2.3
141.06595	20.2
145.02673	1.6
147.03381	1.8
147.04346	9.8
161.05992	2.1
163.03867	1.6
168.06473	2.8
173.84732	1.5
174.07878	6.7
206.06932	7.8
218.11833	2.3
230.09297	3.6
232.10733	9.7
237.02940	2.2
258.08701	29.6
260.10278	18.2
278.11346	100.0
280.23474	1.7
286.08179	36.5
389.14319	3.9
407.15601	69.0
407.41858	2.0
433.13431	4.0
441.45380	1.7
475.26013	1.8
492.18637	14.5
492.25677	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	491.1911
Annotation	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Peak:m/z	Relative Intensity
52.35220	0.2
53.03946	0.4
55.01870	0.4
55.05507	0.4
55.84621	0.2
57.03437	0.6
57.07090	0.2
57.37266	0.1
61.02915	0.6
67.05495	0.9
69.03430	1.7
69.07055	0.9
70.98165	0.5
71.04986	0.4
72.08155	0.4
73.02885	0.2
79.05487	1.1
81.03417	0.8
81.07060	1.5
82.60648	0.2
83.04988	0.5
85.02898	3.3
85.03333	0.1
85.06551	0.3
86.00926	0.2
87.04473	0.4
91.05486	1.1
93.07045	1.5
95.04955	0.8
95.08603	1.3
97.02890	1.8
97.06534	0.4
99.04450	0.4
103.05424	0.2
105.07032	1.8
107.04926	0.2
107.08592	1.7
109.02888	0.5
109.06505	0.6
109.10153	1.1
111.04453	0.2
115.03915	0.2
115.05447	0.4
117.07018	0.4
119.04944	0.6
119.08561	1.0
121.06516	1.4
121.10144	0.6
123.04469	0.3
123.11710	0.3
125.05984	0.4
125.09618	0.3
127.03910	0.9
129.06978	1.2
131.08546	0.2
133.06461	0.9
133.10152	0.7
135.04428	0.8
135.08072	0.9
135.11719	0.4
137.06007	0.5
137.09616	0.3
139.03931	0.2
139.07637	0.3
143.08551	0.2
145.04958	0.5
145.06500	0.6
145.10114	0.3
147.04408	0.8
147.08083	0.4
147.11678	0.4
149.05988	1.4
149.13237	0.4
151.03986	0.3
151.07487	0.4
153.05470	0.4
157.10121	0.2
159.08049	0.3
159.11670	0.4
161.05995	0.5
161.09578	0.4
163.03870	0.4
163.07524	0.2
163.11081	0.2
165.09099	0.4
167.07057	1.1
169.10129	0.2
175.03871	0.2
175.11259	0.2
175.14882	0.3
176.04668	0.3
176.15073	0.3
177.05460	0.5
179.07008	0.5
179.08511	0.2
179.10640	0.2
181.04941	0.3
181.12184	0.2
185.13278	0.2
187.07568	0.2
187.11156	0.2
189.66971	0.2
189.98332	0.2
196.08987	0.2
205.08623	0.3
207.08171	0.2
211.11250	0.5
212.12196	0.2
213.09122	0.3
217.08630	0.6
222.10341	0.7
223.11205	0.6
229.08737	0.4
237.12772	0.6
240.07758	0.2
241.08591	2.3
241.12178	0.2
249.09186	0.2
250.09830	0.5
253.08571	2.7
255.06395	0.2
255.10075	0.4
255.14026	0.3
265.12311	0.6
267.10123	3.3
268.10986	0.6
269.08163	0.4
269.11700	1.0
271.61371	0.2
278.09140	0.4
281.11649	0.7
283.09964	0.4
283.13266	3.8
293.11691	3.0
296.10388	0.8
311.12753	52.3
312.13098	1.2
329.13803	100.0
330.14148	2.4
393.28329	0.2
431.82205	0.2
449.33313	0.2
455.28210	0.3
465.38483	0.2
473.29074	0.5
491.19073	1.0
491.30157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1542
Annotation	Luteolin 7,3',4'-trimethyl ether 5-glucoside
Peak:m/z	Relative Intensity
53.03917	0.9
55.01841	0.6
55.05488	0.3
57.03394	1.2
61.02923	1.7
61.23561	0.3
67.05466	1.2
69.03423	6.0
69.07018	0.9
71.04958	0.9
72.08138	0.8
73.02872	1.1
73.36222	0.4
79.05447	0.8
81.03406	2.2
81.07041	2.3
83.04950	0.7
85.02892	9.3
85.06525	0.4
86.24546	0.4
87.04415	1.3
91.03957	0.3
91.05460	1.3
93.07001	1.6
94.47303	0.3
95.04924	1.0
95.08591	1.5
97.02888	3.7
97.06519	0.6
99.04417	1.0
101.02341	0.3
103.03903	0.4
104.84740	0.3
105.07004	1.2
107.04947	1.4
107.08562	1.3
107.13316	0.3
109.02820	1.5
109.06478	0.5
109.10106	1.1
111.04440	0.6
111.08012	0.4
115.05431	0.4
117.03316	0.7
119.04895	0.8
119.08583	0.9
121.02835	0.9
121.06526	0.5
121.10104	0.9
123.04376	0.6
123.08031	0.4
123.11684	0.5
125.05985	0.5
125.09610	0.4
127.03219	0.3
127.03919	2.9
131.08627	0.3
133.10100	0.4
135.04327	0.3
135.08012	0.5
135.11659	0.6
137.05949	1.2
143.08426	0.3
145.02820	2.2
145.04913	0.5
145.10081	0.7
147.04355	1.0
147.11678	0.7
149.05925	1.0
149.09572	0.3
149.13214	0.5
151.03859	0.6
151.07513	0.8
157.10086	0.4
159.11670	0.6
161.05943	0.8
163.03853	1.9
163.07430	0.4
165.09068	1.6
167.07039	1.6
167.08244	0.3
173.13145	0.3
175.11223	0.3
179.03271	0.4
179.08493	0.6
181.04924	0.6
181.06395	0.4
189.08966	0.4
191.10558	0.5
193.04872	0.8
195.08032	0.8
207.08022	1.1
207.10068	0.3
210.06746	0.4
223.07492	0.4
225.09145	0.4
229.57860	0.3
229.60129	0.3
233.11510	0.3
235.07500	0.7
239.06984	0.4
250.06142	0.4
251.07062	0.6
253.08537	0.7
255.10155	2.2
263.07016	5.6
267.06427	0.4
268.07285	0.8
279.06519	2.2
281.08121	2.0
283.06290	0.4
283.09634	0.8
293.08072	1.1
295.05975	8.0
295.09366	0.4
296.06750	1.1
309.07532	0.6
310.07999	0.5
311.09085	100.0
312.09418	1.6
314.17657	0.3
327.08655	0.4
329.10153	34.0
330.10428	0.5
335.09048	0.8
339.08594	0.6
353.10043	5.0
368.53427	0.3
371.11111	1.0
471.31464	0.3
473.14291	10.7
473.28986	0.4
491.15396	44.0
492.15659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.01851	0.7
55.05476	0.7
57.03413	1.4
59.04970	0.9
61.02903	0.6
65.03906	1.1
67.05459	0.8
68.04906	0.6
69.03378	2.4
69.07020	1.4
70.06561	1.5
71.04971	0.8
71.61709	0.9
72.08150	3.8
79.05444	1.2
81.03362	2.6
81.07028	1.4
83.04944	1.2
84.08120	1.3
85.02899	5.4
85.06509	1.1
85.75651	0.6
86.09653	2.0
91.05426	2.2
93.03391	1.6
93.06991	1.8
95.04943	0.9
95.08541	1.4
97.02897	3.1
97.06512	0.8
99.04413	1.5
103.03916	1.5
105.06966	1.6
107.04913	1.7
107.08564	1.0
108.16222	0.7
109.02860	3.6
109.06479	1.1
109.10108	1.6
111.04404	1.3
115.24091	0.6
116.77685	0.6
119.04934	4.2
119.08527	1.4
121.02869	8.4
121.06445	1.2
121.10101	1.3
122.02328	0.9
123.04400	0.8
127.03908	39.6
127.84899	0.6
128.03467	0.6
128.04247	6.4
131.04901	0.7
133.06390	0.9
133.10078	0.6
138.05434	1.4
140.03360	1.2
145.02785	1.1
145.10062	0.8
147.04332	2.1
147.11633	0.8
149.05916	0.8
151.03899	1.1
159.04320	1.3
161.02322	1.1
161.05920	0.8
163.03839	0.9
165.01918	0.8
165.05463	0.7
167.07080	1.5
171.04341	0.8
175.03847	1.3
177.01833	1.7
177.05457	1.3
179.03351	2.7
181.04926	0.8
189.01875	3.8
189.12556	0.6
193.04941	0.7
195.02879	9.6
197.04401	1.2
203.03415	7.8
207.02872	8.0
215.03409	0.8
217.04935	4.7
219.03009	0.8
221.04474	3.9
225.03865	1.4
227.03357	1.4
235.02376	0.8
235.05917	1.9
243.02820	1.5
245.04314	1.1
255.02933	3.5
261.04022	1.1
268.07315	3.1
269.08005	0.8
273.03760	2.9
279.06378	3.2
283.06012	7.0
293.08017	2.0
294.05121	4.7
295.05991	100.0
296.06519	5.9
297.07581	6.1
307.05972	18.7
307.09479	1.3
308.06580	2.8
309.03989	1.2
309.07568	4.2
311.05414	1.8
317.07980	1.7
319.05853	1.0
320.06580	1.2
321.07571	23.5
322.08096	1.4
323.05496	8.8
323.09180	1.1
325.07043	47.1
326.07401	1.3
329.06604	4.5
329.10187	1.2
333.07687	2.0
335.09161	17.4
337.06940	1.6
338.07202	1.4
339.08612	1.5
341.06534	35.4
342.07059	1.0
345.07507	2.5
349.07013	18.8
350.07635	1.6
353.06528	34.3
361.07004	16.6
363.08542	8.5
365.06650	0.9
367.04102	1.1
367.08057	2.3
371.07617	33.8
373.06921	8.7
377.06555	2.4
379.08020	3.2
380.08759	0.7
381.09576	2.4
391.08044	10.4
395.07593	40.8
396.07983	1.7
407.07590	4.4
409.09106	2.0
419.07526	8.2
424.03177	0.7
425.08646	25.7
428.10223	0.7
437.08658	18.4
438.08945	1.0
455.09720	26.3
456.10199	0.9
469.81302	0.6
473.10751	19.3
491.11768	3.3
491.18607	2.5
491.29953	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.8
55.05498	1.2
57.03420	1.1
59.04998	1.1
61.02909	1.1
65.03902	0.7
67.05481	1.9
69.03410	2.5
69.07053	1.5
70.06575	2.8
71.04971	2.3
71.62062	0.8
71.62409	0.8
72.08155	4.8
73.02879	0.8
79.05483	1.5
81.03413	3.8
81.07051	3.8
83.04958	1.6
84.08111	2.3
85.02896	7.4
85.06532	1.1
86.09682	1.8
87.04440	1.0
88.14423	0.6
91.05482	2.8
93.03386	0.8
93.07070	3.3
93.93351	0.7
95.04955	1.8
95.08585	2.7
95.48700	0.6
96.62487	0.6
97.02863	3.9
97.06503	2.3
98.06063	0.8
99.04410	1.8
103.03985	0.7
103.05451	0.7
104.15085	0.6
105.07029	1.9
107.04926	2.2
107.08555	2.7
109.02872	3.5
109.06471	2.1
109.10130	2.2
111.04419	1.3
119.04926	6.2
119.08549	1.9
121.02841	10.8
121.06486	2.1
121.10119	2.1
122.02352	1.3
123.04396	1.3
123.08034	1.4
125.05986	1.1
125.09576	1.2
127.03903	35.4
127.07628	0.6
128.04239	6.7
128.10704	0.9
129.06964	0.6
131.04951	1.5
131.08546	1.1
133.10117	1.4
135.04437	1.1
135.08051	1.1
137.02161	0.8
137.05969	2.4
137.09636	1.0
138.05475	1.7
139.03918	0.9
145.02788	1.4
145.06487	1.0
145.10088	1.8
147.04388	4.6
147.11732	1.0
149.05933	1.1
149.09677	1.1
149.13138	0.8
151.03902	1.9
159.04398	1.4
161.02310	1.3
161.05916	0.9
161.13216	0.8
163.03922	1.1
163.07549	0.8
164.07007	0.8
165.09055	0.7
167.07002	1.9
173.02322	0.7
175.03929	0.9
177.01926	2.0
177.05452	1.1
177.09047	1.1
179.03358	3.7
181.08600	0.7
182.51674	0.7
183.13535	0.7
189.01801	3.7
189.05428	1.2
189.12720	0.6
191.03497	0.8
194.01961	0.7
195.02835	8.1
197.04395	1.5
199.03847	1.2
203.03398	7.1
205.08630	1.1
207.02885	7.6
215.03427	1.5
217.04915	4.6
221.04399	3.9
225.03806	1.6
227.03349	1.7
233.04446	1.0
235.02299	1.0
235.05963	1.8
243.02853	2.0
245.04340	1.3
251.07027	1.1
255.02841	3.8
261.03802	1.3
267.06412	0.8
268.07285	2.4
273.03940	2.8
279.06482	3.9
280.07132	0.8
283.06024	5.3
294.05182	3.7
295.05978	100.0
296.06607	6.7
297.07446	4.7
307.05978	18.4
308.06525	3.2
309.04071	1.2
309.07529	3.3
311.05450	1.9
317.07965	1.5
319.05859	1.2
320.06665	0.9
321.07553	23.1
322.07990	0.9
323.05432	7.8
325.07016	48.8
326.07465	1.9
329.06458	5.8
329.10056	1.1
333.07697	1.6
335.05151	1.2
335.09109	15.7
337.06955	2.0
338.07260	1.1
339.08344	1.0
341.06528	37.7
342.06628	1.1
345.07544	2.8
347.08994	0.9
349.07004	16.3
350.07529	1.1
353.06519	35.2
354.06607	1.3
361.06970	16.5
361.11163	1.2
362.07263	0.8
363.08682	5.5
365.06436	1.3
367.08151	2.7
371.07602	36.4
372.07629	1.3
373.07080	9.8
374.07446	0.9
377.06476	2.4
379.08038	2.5
381.09708	1.5
389.06384	1.3
391.08084	9.1
395.07571	45.6
396.07910	1.3
407.07614	5.7
409.09027	2.7
419.07645	10.1
425.08578	24.0
426.08908	1.5
427.10629	0.8
437.08643	20.1
439.70181	0.8
455.09689	27.9
456.09973	1.3
473.10773	19.6
473.17404	0.8
474.10944	0.9
475.11255	0.8
491.11697	2.2
491.23666	2.7
491.30386	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	490.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.2
55.01870	11.4
55.05511	31.0
57.03424	14.5
64.45729	4.5
64.90814	4.9
67.05501	64.7
69.03421	32.1
69.07059	41.2
71.04991	9.8
71.63496	4.9
71.64227	5.6
77.24656	4.6
78.63760	4.9
79.05484	50.6
81.03417	22.6
81.07050	100.0
81.74050	5.0
83.04971	20.2
83.08601	21.4
85.02884	37.0
85.06550	6.8
91.05471	46.7
93.07044	55.9
95.04970	18.6
95.08596	40.2
97.02876	21.7
97.06516	17.1
97.10168	10.9
99.04443	8.7
99.08080	5.3
105.07014	42.8
107.04952	17.2
107.08589	45.7
109.02838	6.0
109.06514	15.6
109.10156	22.7
117.07004	24.3
119.08573	41.2
121.06499	7.2
121.10140	31.7
123.04430	6.7
123.08043	14.1
123.11693	13.1
125.09616	10.8
127.03942	23.6
129.06975	6.5
131.08585	24.2
133.10124	43.0
135.08008	8.8
135.11676	32.0
137.09651	6.0
145.04929	10.9
145.10117	32.2
147.04376	6.4
147.11671	20.2
149.09586	16.9
149.13231	10.9
151.11119	5.0
157.10162	8.6
159.11685	20.6
161.13249	9.8
163.11105	9.0
167.06998	5.7
173.13281	11.6
177.12747	6.0
181.12251	27.1
183.11664	9.6
189.11197	8.7
195.13820	42.6
199.13300	12.2
213.14789	12.0
217.14328	4.6
257.18964	10.2
275.20032	84.7
293.21130	21.9
294.70010	4.7
305.21796	5.3
310.07858	22.1
313.83020	5.0
385.46579	5.4
444.35568	13.0
472.34906	8.8
490.14212	16.1
490.30420	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	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01865	2.8
55.05510	1.8
56.05029	0.5
57.03437	3.8
57.49856	0.3
60.24141	0.4
61.02930	2.5
63.22449	0.4
67.05495	2.7
68.05809	0.5
68.99791	0.8
69.03065	0.8
69.03423	10.1
69.07067	2.2
70.04493	0.7
70.04887	1.2
70.06587	1.0
71.01344	0.5
71.04990	10.3
72.08143	1.7
73.02923	2.5
75.04486	0.5
79.05492	2.0
81.03414	9.1
81.07062	3.5
83.04975	3.8
83.08627	0.6
84.08103	0.5
85.02899	38.3
85.06547	1.6
86.09740	0.6
87.00827	9.7
87.04463	0.5
91.03970	0.7
91.05482	1.2
93.07034	3.5
94.07384	0.5
95.04971	2.0
95.08602	5.1
97.02887	12.7
97.06529	1.5
98.06047	0.6
99.04449	5.2
99.08080	1.7
105.01860	12.8
105.07001	3.2
107.04980	0.8
107.08592	3.2
108.08917	0.5
109.02870	8.8
109.06512	4.1
109.10134	2.6
110.09732	0.5
110.10480	0.9
111.04437	2.1
111.08089	0.6
115.03903	0.7
117.01830	0.9
119.04933	0.9
119.08581	2.7
120.08054	0.5
121.06502	1.8
121.10132	5.8
123.08060	100.0
124.08363	0.8
125.06033	0.7
125.09602	1.2
127.03912	21.9
129.01854	1.2
129.05481	5.9
131.08582	0.7
133.06491	1.0
133.10117	2.3
135.08058	0.6
135.11684	2.1
137.05945	1.1
137.09642	1.1
139.11121	0.5
145.04945	8.2
145.10127	0.6
147.02943	0.4
147.04388	1.8
147.06505	3.2
147.07666	0.6
147.11688	1.6
148.04674	0.5
149.09596	5.9
150.13603	0.7
151.07550	0.7
151.11169	7.8
159.02881	5.2
161.13249	1.1
163.03900	0.4
163.11183	2.4
163.14786	0.8
164.09192	0.8
165.09085	1.4
165.12756	0.9
167.07028	1.2
167.10684	3.2
176.89664	0.4
177.03967	0.4
181.12206	9.9
189.03937	0.6
189.12747	1.8
205.12210	1.3
207.13785	12.0
213.03957	1.4
225.14841	54.6
226.15321	0.4
231.04980	5.8
249.06131	1.1
292.27151	0.7
311.05487	0.6
325.06686	0.5
339.08572	0.5
340.09058	1.1
357.09628	0.6
358.10056	1.2
367.15512	0.4
419.16541	0.4
436.10941	0.4
437.17941	1.5
442.11987	0.5
454.11768	0.6
455.18958	1.4
473.20071	1.1
490.14276	0.8
490.26727	0.5
490.33569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3572
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
50.59300	1.4
55.01840	1.3
55.05508	14.9
57.03435	4.0
57.07066	2.4
57.43470	1.5
65.03926	2.6
67.05499	37.7
67.59048	1.1
69.07064	13.3
69.71156	6.7
69.71566	2.2
71.04986	2.3
79.05492	20.3
80.79340	1.4
81.07054	30.3
83.04982	1.5
83.08606	8.3
85.06544	3.4
91.05471	18.5
93.07038	25.6
95.04936	3.2
95.08602	27.7
97.06539	3.4
97.10173	3.6
98.20817	2.3
105.07018	23.6
105.07677	2.0
107.08591	20.6
109.06574	2.8
109.10153	22.2
111.08043	2.3
117.06991	8.1
119.08572	25.0
121.10144	16.0
123.08073	2.1
123.11707	4.1
125.09624	2.9
129.06992	3.6
131.08560	13.5
133.10115	15.8
135.08058	1.6
135.11684	9.1
137.09618	2.4
137.13274	2.3
139.11211	2.5
143.08546	6.0
145.10135	16.0
147.11681	13.8
149.09654	2.7
149.13264	3.2
151.07668	1.4
155.08597	2.0
157.10127	6.1
159.11700	10.9
161.09656	1.7
161.13243	6.4
163.14795	1.8
169.10133	4.9
171.11734	4.5
173.11754	4.6
173.13280	8.5
173.72740	1.3
175.14851	3.7
177.12637	1.7
183.11725	2.8
185.13266	5.2
187.14864	5.7
189.16423	4.3
197.13193	3.0
199.14842	3.5
201.16423	2.1
205.12218	1.6
207.17552	2.2
213.14786	2.5
213.16524	2.4
215.17905	1.4
221.15419	1.5
225.16626	1.5
227.18050	1.7
241.19583	1.6
259.20517	1.7
261.22232	1.8
267.21158	1.4
271.20624	2.1
275.20340	1.5
285.22275	2.8
291.72186	1.4
323.43826	1.5
377.26947	1.8
379.29703	7.4
397.31131	13.4
415.32251	2.6
435.32904	2.7
443.35242	20.0
453.34167	2.8
471.35095	18.8
489.35825	100.0
490.36322	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	489.3571
Annotation	Cimigenol
Peak:m/z	Relative Intensity
54.08836	1.1
55.05507	12.0
57.03433	4.0
65.03895	1.5
67.05498	43.9
69.03401	1.2
69.07066	9.7
71.62646	1.4
79.05489	16.5
81.07048	25.4
83.04931	1.2
83.08613	4.7
85.06538	2.4
91.05470	14.8
93.07046	19.2
95.04955	2.8
95.08600	18.7
97.06557	2.0
97.10159	2.3
105.07016	15.2
107.08584	13.6
109.10153	26.9
111.08079	2.4
117.07033	5.0
117.88989	1.2
119.08572	16.2
121.10117	11.5
123.11728	1.8
125.09669	1.1
129.06996	3.1
131.08578	10.1
133.10121	10.7
135.08086	1.1
135.11722	6.0
137.09605	2.7
143.08554	3.4
145.10115	9.1
147.11665	8.5
149.13263	4.2
157.10196	4.6
159.11642	7.2
161.13239	4.7
169.10083	1.3
171.11649	3.4
173.11748	7.7
173.13271	5.9
175.11095	1.3
175.14809	2.4
183.11633	2.0
185.13278	4.1
187.14871	4.2
189.16316	1.4
197.13248	1.8
199.14818	1.9
201.16560	1.7
225.16312	1.1
259.20630	1.8
261.22113	3.0
271.20584	1.3
273.21970	1.7
317.24979	1.6
351.40924	1.2
379.30002	4.9
397.31015	8.0
415.32031	3.4
435.32642	1.7
453.33920	1.6
471.34940	12.9
489.35760	100.0
490.35870	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	489.3572
Annotation	bayogenin
Peak:m/z	Relative Intensity
53.03928	1.0
55.01857	1.7
55.05501	6.5
57.03433	1.8
57.07065	2.4
58.81481	0.8
59.04995	1.5
61.02908	1.0
65.03918	1.3
66.52977	0.7
67.05499	9.8
69.03411	4.2
69.07059	11.3
71.04986	1.8
71.63708	1.1
72.08138	1.2
79.05482	11.2
81.03393	3.0
81.07049	26.9
82.07375	0.9
83.04962	3.4
83.08623	6.0
85.02889	6.7
85.06537	3.3
86.09705	1.3
91.05473	10.3
92.68846	1.0
93.07034	16.1
95.04969	4.9
95.08596	30.3
96.08947	1.2
97.02874	3.8
97.06502	4.4
97.10150	3.7
99.04436	1.7
99.08063	2.0
103.05452	1.2
105.07014	18.1
107.04926	3.1
107.08585	23.7
109.02865	1.7
109.06509	4.2
109.10147	19.2
111.04419	1.6
111.08079	2.6
111.11716	2.3
115.05482	0.8
117.06999	2.9
119.04926	1.8
119.08564	22.3
120.08068	1.0
121.06487	3.3
121.10123	14.5
121.10916	1.5
123.04427	9.7
123.08037	3.1
123.11704	8.9
125.09615	2.7
125.13216	1.5
127.03900	11.7
127.11139	1.4
128.04262	2.3
129.06989	1.6
131.04955	0.9
131.08548	7.8
133.06532	1.3
133.10097	18.1
135.04407	1.0
135.08067	2.1
135.11678	20.7
137.05945	3.6
137.09596	2.7
137.13226	4.0
139.11171	1.7
142.07756	1.0
143.08542	6.2
145.04939	1.9
145.10089	10.1
147.04379	3.1
147.08011	2.0
147.11690	12.7
149.05966	2.8
149.09579	3.3
149.13234	8.7
151.03922	1.2
151.07556	2.3
151.11214	2.2
151.14771	1.6
155.08517	1.1
157.10085	6.7
159.11679	6.0
161.05928	2.9
161.09621	5.4
161.13272	6.4
163.03879	1.2
163.07550	1.8
163.11198	2.0
163.14807	6.3
165.05496	0.9
165.09070	1.3
165.12787	1.4
167.07037	4.4
169.10127	2.4
171.11702	4.2
173.13292	4.1
175.11172	1.2
175.14796	15.8
177.09019	1.3
177.12822	1.1
177.16399	3.5
179.14247	1.0
181.04872	1.8
183.11646	2.2
185.13266	13.7
187.14804	7.0
189.05292	1.0
189.12762	1.5
189.16350	21.0
191.10687	1.8
191.14278	1.8
191.17940	1.8
193.15823	1.6
197.13293	2.0
199.07420	1.1
199.14809	10.6
201.16391	7.0
203.14310	22.0
203.17931	4.1
205.15837	1.1
207.06462	1.1
207.17441	19.8
211.14792	1.9
213.16341	2.6
215.17911	1.8
217.15865	2.8
219.17337	1.1
221.15282	4.8
223.14815	1.0
227.17944	1.3
229.19258	1.1
231.13786	2.3
241.19504	1.4
249.14861	3.7
253.19476	2.2
255.21123	1.5
267.21069	1.6
271.09702	1.7
271.20605	1.3
273.22183	1.1
273.25705	2.3
285.22052	1.7
291.26587	1.6
309.07596	4.0
312.10297	0.9
327.08508	3.3
327.15082	1.8
339.08484	1.2
357.09912	1.1
389.26840	3.4
391.37561	1.0
407.32990	3.6
408.14093	2.1
425.34094	30.4
426.34293	1.2
435.32358	1.9
443.35168	30.9
453.33353	2.5
457.26938	1.2
471.34680	100.0
472.34897	3.8
489.28906	8.5
489.35605	32.1
490.29239	1.1
490.35779	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	489.3572
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03937	1.8
54.67873	0.8
55.01867	2.2
55.05510	15.2
57.03427	3.7
57.07069	2.5
59.05005	1.8
62.99475	0.9
65.03927	1.9
67.05502	60.8
69.07071	11.6
69.36255	0.9
71.04989	2.7
77.03909	1.1
79.05488	24.3
80.07195	0.8
81.07054	30.0
83.08624	8.2
85.06530	1.3
91.05479	19.4
93.07038	29.2
95.04969	4.7
95.08039	1.7
95.08601	20.6
97.06538	2.1
97.10159	2.4
99.08036	0.9
105.04561	1.6
105.07025	17.7
107.08594	15.2
109.06499	1.3
109.10152	34.9
111.08083	2.5
117.07018	6.8
119.08575	22.3
121.10141	12.8
123.08087	1.0
123.11696	2.6
125.09651	2.0
129.06985	2.8
131.08563	12.8
133.10129	12.1
135.08118	1.1
135.11697	5.8
137.09625	2.1
139.11172	1.7
143.08577	3.7
145.10114	12.6
147.11650	8.3
149.09668	0.9
149.13248	5.0
155.08575	2.2
155.10643	1.4
157.10127	5.1
159.11694	7.2
161.13310	4.3
162.84729	0.8
163.14818	1.7
169.10161	1.3
171.11620	4.4
173.11745	9.9
173.13286	6.4
175.14870	2.4
183.11665	2.5
185.13293	4.1
187.14835	3.5
189.16353	1.0
197.13295	2.6
199.14842	2.5
201.16431	1.1
211.14780	1.7
213.14716	1.7
213.16527	1.4
243.21255	1.1
253.19574	0.9
255.21002	1.2
259.20630	1.4
261.22275	2.2
285.22000	1.0
299.23700	1.7
363.25220	1.0
377.26801	1.7
379.30023	5.8
391.28622	1.0
397.31015	9.2
415.32162	2.9
433.33206	1.3
435.33038	1.5
440.26776	1.0
471.34818	11.2
489.35776	100.0
490.36053	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	487.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31798	0.3
53.18544	0.4
55.01876	0.5
55.05524	2.0
57.03420	0.8
60.04530	0.4
60.05634	1.2
62.19180	0.3
69.03411	1.9
69.07069	0.6
69.60998	3.3
70.06585	5.7
71.04986	1.0
72.08154	100.0
73.02921	0.4
73.06512	0.4
73.08503	0.8
74.06085	0.4
78.90009	0.3
79.05495	0.8
79.11559	0.3
81.03442	0.9
81.07053	0.8
82.06584	0.4
83.05001	0.8
84.04507	1.3
84.08150	2.0
85.02902	4.3
86.06091	0.4
86.09725	1.2
89.10785	3.3
91.05499	1.5
92.07149	0.4
93.07085	0.5
95.04970	0.8
97.02908	1.5
97.07654	1.8
98.06062	4.1
98.09709	0.7
99.09251	0.5
103.05457	0.5
105.07056	1.3
107.04954	2.8
109.02889	0.9
109.06554	0.8
110.02421	0.7
113.10771	0.7
114.09164	1.0
114.10294	6.5
115.05494	0.6
115.08701	3.0
117.07037	0.7
119.04943	2.8
121.02920	0.6
121.06584	0.4
123.05585	0.4
126.12800	0.6
127.03928	2.6
129.05592	0.4
131.05043	0.6
131.12891	2.7
133.06552	1.5
136.07561	0.5
137.06046	1.1
138.09161	1.9
145.04987	0.6
145.06546	1.1
147.04405	17.3
148.04828	1.2
152.07133	0.5
157.06573	0.5
159.08075	0.6
161.06065	1.5
165.10335	1.2
167.07095	0.8
173.87561	0.4
179.03387	13.0
180.03769	0.5
181.06567	0.6
181.10123	0.5
183.08101	2.9
183.11394	0.8
185.09656	0.6
186.09178	0.7
191.14384	0.5
191.26414	0.4
195.08206	1.3
197.09642	2.2
197.14078	1.1
198.96977	0.5
199.11261	0.9
207.08234	0.4
209.06161	1.7
209.09853	1.7
211.07806	0.4
211.11308	0.7
213.09253	1.0
214.08868	0.4
216.98138	1.1
217.13304	1.9
218.11716	2.5
219.08145	0.7
221.09813	0.6
222.09332	1.3
223.07729	1.3
224.10817	0.5
225.07089	0.4
225.09302	1.2
235.14532	1.0
236.10869	0.8
237.02844	0.4
237.09372	1.5
239.10727	1.8
241.08749	0.6
241.13547	0.7
244.10004	0.5
250.08801	0.6
251.07265	1.3
256.15723	0.6
260.14151	0.5
261.12497	0.8
264.10291	0.5
265.08807	0.6
266.11850	0.7
267.10342	0.8
269.13150	1.1
270.11774	0.4
272.10504	0.5
277.16589	3.3
290.16223	0.5
292.10028	0.5
296.16525	0.4
307.14487	0.5
308.16843	1.1
321.16141	0.7
322.14554	0.9
335.17899	1.3
336.16119	0.7
337.19589	0.5
339.17300	0.6
353.18970	0.9
363.17215	2.3
381.18069	6.8
398.21185	0.7
399.19281	2.9
430.43015	0.4
435.42285	0.4
437.43484	0.4
451.27097	3.4
452.26138	0.6
469.28214	33.0
470.28033	1.5
487.18396	1.7
487.29706	58.9
488.30948	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	487.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.8
67.05505	3.1
69.03364	0.3
69.07052	1.8
70.01707	1.9
76.13706	0.4
79.05437	1.3
81.03369	0.4
81.07050	3.1
83.08503	0.4
89.03875	0.6
89.26741	0.4
91.05463	2.3
93.07036	9.1
95.04915	0.4
95.08575	2.5
98.20862	0.5
105.07031	1.6
107.04884	0.7
107.08585	5.0
109.02848	0.5
109.06469	0.5
109.10144	3.9
111.11637	0.3
115.05408	0.5
117.07012	1.6
119.08506	0.9
121.10061	1.0
123.04358	1.2
123.11654	0.6
129.06941	1.2
133.10068	1.1
135.04367	0.9
135.08003	0.5
135.11687	6.5
137.02274	1.4
137.13167	0.5
145.06412	0.4
145.10056	0.4
147.04361	0.5
147.11684	0.4
149.13226	0.4
155.08496	0.4
157.06413	0.7
157.10159	0.4
159.04343	0.6
159.11595	0.6
161.46498	0.3
171.11581	0.6
173.13251	0.4
179.03316	1.4
179.17967	0.4
181.06413	0.7
185.05908	1.3
185.13318	0.5
189.05464	2.0
195.02872	1.1
195.08054	0.4
201.05661	0.5
202.07748	2.0
203.06926	0.9
207.02847	0.4
213.05458	2.5
217.10117	3.1
219.08063	0.6
231.06432	1.2
233.09573	0.4
235.11105	0.8
237.09055	0.4
245.09613	5.1
247.07487	0.8
248.08267	1.0
249.09056	0.4
263.10675	1.1
273.09085	2.3
273.23285	0.4
275.06912	1.2
276.07785	1.4
291.10153	2.4
293.07919	0.4
295.06241	0.5
299.05481	0.5
301.08582	1.4
308.06717	0.6
309.07602	0.4
311.05496	11.7
316.58279	0.4
319.09610	10.6
321.07578	0.6
323.05386	2.2
323.09103	2.2
325.06906	0.7
329.07877	1.7
336.06113	0.6
336.09860	0.4
337.06876	1.3
337.10577	0.8
347.09109	43.2
348.09515	1.2
349.07010	1.8
350.07681	2.0
351.08569	1.0
353.10114	3.0
361.10718	0.4
365.10165	100.0
366.10519	2.5
377.10196	0.6
379.11786	1.2
385.10748	0.5
391.11288	0.5
393.13278	0.6
403.11874	1.1
405.13266	1.8
407.14816	2.5
419.14871	4.2
431.14899	1.6
451.31854	0.7
469.33026	1.5
487.21136	34.9
487.33801	1.7
488.21475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1962
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.8
55.05498	0.6
57.03420	0.4
57.07060	0.3
61.02896	0.4
65.03935	0.6
67.05502	3.4
68.99776	1.2
69.03417	1.7
69.07063	4.2
71.04970	0.4
71.63264	0.2
71.63688	0.4
72.08154	0.3
76.97022	0.2
77.03938	0.3
79.05479	1.0
81.03407	0.9
81.07035	2.0
83.04971	0.6
83.08607	0.3
85.02902	2.9
85.06549	0.4
87.04466	0.5
91.05479	1.4
93.07035	1.6
95.04955	5.2
95.08591	1.1
97.02892	1.4
99.04474	0.3
103.05441	0.4
105.07028	1.6
106.14606	0.2
107.04957	0.9
107.08585	1.8
109.02875	0.7
109.06526	0.5
109.10142	1.1
111.04441	0.3
117.07067	0.4
119.04937	0.2
119.08555	1.2
121.06493	0.9
121.10139	0.9
123.04417	100.0
123.11693	0.5
124.04800	0.5
127.03915	1.9
129.06973	0.3
131.04897	0.3
131.08568	0.6
133.06487	0.4
133.10100	1.2
134.03516	0.3
135.04376	0.9
135.11679	0.6
137.05907	0.5
137.09648	0.5
139.03879	0.3
143.08517	0.5
145.04886	0.3
145.06482	0.4
145.10104	0.8
147.04393	9.1
147.11670	0.4
149.05965	3.9
149.09598	0.5
149.13177	0.2
151.07503	0.3
153.05426	0.5
157.10178	0.4
159.11653	0.3
160.05225	0.3
161.05971	1.0
161.09605	0.8
161.13338	0.3
163.03853	0.6
163.11118	0.4
165.05548	0.6
165.09108	0.2
167.07037	0.6
167.08488	0.3
169.10130	0.2
171.08061	0.8
173.05971	0.5
173.09619	1.1
173.13319	0.3
174.06728	0.3
175.07480	0.3
175.11256	0.2
177.05492	0.4
179.03365	1.2
179.10652	0.4
181.06534	0.2
187.07448	0.3
189.05508	0.5
189.09114	3.2
189.16441	0.3
191.10657	13.0
195.08014	0.3
198.06740	0.2
199.07463	1.2
201.12697	0.4
203.10567	1.4
207.10106	0.8
209.04407	0.5
213.08971	0.4
215.10651	0.7
223.07402	0.5
226.06334	0.3
227.07077	0.3
241.08582	0.8
251.07132	0.4
255.06509	3.6
256.07211	1.1
257.08054	1.0
269.08057	7.3
325.07559	2.9
325.14307	31.8
326.14572	0.4
348.46674	0.2
379.11591	0.4
397.12659	0.6
417.11707	0.4
431.13464	0.4
441.33682	0.3
451.31766	0.4
469.17868	0.7
469.26697	0.3
469.33017	0.5
487.12338	1.4
487.19623	2.7
487.33716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1961
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03935	1.2
53.29872	0.5
55.01845	1.9
55.05487	1.9
57.03418	1.5
59.04986	0.4
61.02914	1.1
62.92477	0.5
67.05492	4.4
68.99779	6.2
69.03423	5.3
69.07048	2.5
70.06579	0.7
70.88946	1.4
71.04984	1.3
72.08131	1.1
79.05482	4.0
81.03436	2.3
81.07044	13.7
83.04960	1.5
83.08607	0.7
85.02899	7.7
85.06523	2.2
86.09700	1.3
87.04454	0.6
91.05470	4.4
93.07033	7.3
95.04964	3.9
95.08588	6.3
97.02873	3.5
97.06519	1.4
99.04436	1.4
99.08074	0.7
103.05451	2.5
105.07014	6.5
107.04927	3.3
107.08592	3.6
109.02856	2.0
109.06484	1.1
109.10134	2.9
111.08070	0.9
113.06030	0.5
113.09676	0.6
115.05398	0.8
117.07002	1.8
119.03412	1.2
119.04922	1.1
119.08556	5.5
121.02884	0.6
121.06490	9.9
121.10137	8.0
123.04415	67.1
123.08033	1.2
123.11703	1.5
124.04762	0.8
125.09576	0.7
127.03912	4.3
128.06236	2.3
131.04924	1.7
131.08586	2.2
133.06470	4.8
133.10120	5.9
135.08032	1.4
135.11664	2.7
137.05974	1.3
137.09624	1.3
142.07700	0.5
143.08553	5.9
145.04919	1.6
145.06480	2.9
145.10091	2.3
146.07300	1.7
147.04391	3.4
147.08057	1.1
147.11646	1.2
149.05963	46.0
149.09601	1.4
149.13216	1.4
151.07480	0.6
157.10127	1.4
159.08029	1.0
159.11694	1.7
160.05177	1.2
161.05989	5.4
161.09610	8.3
161.13231	1.2
162.06786	0.5
163.03850	1.0
163.07643	0.6
163.11122	0.7
163.14790	0.8
165.05498	1.3
165.12703	0.7
165.72458	0.5
166.25841	0.5
167.07057	1.1
169.08510	0.5
169.09953	0.4
171.08031	8.0
171.11707	0.7
173.05984	1.6
173.13280	1.0
174.06760	8.7
174.98132	0.5
175.03896	0.7
175.07550	1.5
175.11209	1.6
175.14862	0.9
177.05417	0.8
179.03407	2.3
179.57524	0.4
181.04839	0.5
185.09608	0.6
187.07590	0.8
187.11220	1.4
188.08246	0.7
189.09088	61.4
189.16441	0.9
191.06886	0.5
191.14320	0.8
193.12119	1.0
201.00703	0.8
203.10646	22.0
207.02937	0.6
207.06487	0.9
207.13846	1.8
211.13310	1.0
215.10654	4.1
277.14276	0.4
289.25275	1.1
307.05963	4.9
307.26276	1.3
323.09210	0.8
325.14304	100.0
326.14673	1.8
337.14285	0.5
341.10095	0.8
361.02188	0.6
367.07980	0.8
399.10999	0.8
407.51419	0.6
414.30383	0.5
415.28702	0.6
469.11465	2.3
469.17294	0.6
482.91553	0.5
487.19702	17.6
487.33960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1958
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03946	1.7
55.01862	3.0
55.05511	1.6
57.03425	3.0
61.02919	4.4
67.05495	2.9
68.99790	9.0
69.03422	13.5
69.07059	1.6
69.45892	5.8
69.46307	1.3
71.05000	1.1
73.02904	3.0
78.76953	0.9
79.05497	2.6
81.03410	6.3
81.07051	9.2
85.02901	18.6
85.03421	1.1
87.04458	2.4
91.03947	1.2
91.05486	6.2
93.07035	6.2
95.04978	4.0
95.08588	2.7
97.02895	7.5
98.20737	1.2
99.04440	1.8
103.05468	3.6
105.07035	7.9
107.04932	4.2
107.08595	3.1
109.02859	3.6
109.06506	1.6
109.10144	2.0
112.25906	0.8
117.07005	3.2
119.04919	3.0
119.08591	5.2
121.06499	14.3
121.10146	5.6
123.04420	98.8
124.04778	1.3
127.03910	4.3
128.06213	3.3
129.07004	1.4
131.04927	1.7
131.08589	2.2
133.06467	6.5
133.10110	5.0
135.04431	2.9
135.08089	1.9
135.11693	2.0
137.05968	2.3
141.06999	1.3
142.07733	1.1
143.08551	8.6
145.04938	2.0
145.06465	8.5
145.10129	2.9
146.07265	1.5
147.04393	9.4
147.08041	2.6
147.11711	1.3
149.05972	67.7
156.33232	0.8
157.10150	1.5
159.08119	1.9
159.11754	1.2
160.05174	1.7
161.05968	10.1
161.07066	1.0
161.09621	12.4
163.03928	1.1
163.07562	1.4
163.11111	0.9
165.05453	11.4
169.10207	1.6
171.04376	1.0
171.08035	14.6
171.11794	1.0
173.05988	10.4
173.09669	1.8
174.06689	12.4
175.07579	4.8
175.11201	3.2
179.03352	4.0
183.07999	1.6
185.09621	1.8
187.07477	8.7
187.11208	2.9
187.14792	1.2
188.07863	5.8
189.05501	2.3
189.09096	87.4
190.09595	1.2
191.07089	1.2
191.10632	1.9
200.08073	2.7
201.09061	5.2
203.10651	36.7
208.05655	0.8
208.93265	0.9
213.09196	1.5
215.10684	10.1
223.11221	1.0
227.10748	1.4
231.06526	2.4
231.10168	1.8
241.12109	0.8
249.07382	0.8
255.10233	2.1
269.11856	1.1
297.11346	1.8
309.11151	9.4
310.07956	1.3
310.11523	21.7
310.14957	1.6
315.12674	1.1
325.14313	100.0
326.14795	1.4
337.14371	4.3
349.14331	4.1
367.15335	13.3
379.11313	0.9
391.15271	4.5
411.14151	1.6
431.65408	1.0
433.16586	2.9
451.17487	6.5
459.55283	0.9
469.18683	9.3
469.33469	1.2
472.16843	27.2
487.19623	80.4
487.34973	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
67.01853	0.4
68.99768	0.8
69.03411	0.3
70.07554	0.6
70.07967	0.3
70.88376	0.2
71.04990	2.4
75.04470	0.3
83.04959	0.3
85.02424	0.3
85.02905	4.3
94.68846	0.1
96.09945	0.2
97.02876	0.2
98.20799	0.2
105.03378	0.2
111.04443	0.9
120.02189	0.2
127.03960	0.2
129.05489	1.3
133.02859	0.5
147.06483	0.4
155.03374	0.5
161.02390	0.2
179.03384	100.0
180.03761	1.4
188.23479	0.2
228.32332	0.2
339.15909	0.2
341.08694	1.2
375.78134	0.2
389.47058	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	487.1959
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03931	2.5
55.01867	3.7
55.05483	1.3
57.03428	2.0
58.06593	1.3
61.02914	4.5
66.50824	0.9
67.05504	4.0
68.99791	10.0
69.03421	18.4
69.07063	1.7
71.04987	2.6
71.61785	1.7
73.02909	1.6
79.05490	2.8
81.03407	5.3
81.07049	15.2
83.05026	1.1
83.08631	1.4
85.02893	22.1
87.04472	3.0
91.03947	2.1
91.05468	5.8
93.07047	7.4
95.04957	4.1
95.08598	5.0
95.24854	0.9
97.02882	9.5
99.04447	2.2
103.05452	3.6
105.07014	8.4
107.04951	3.9
107.08588	5.6
109.02890	3.1
109.06500	1.7
109.10159	4.0
115.04017	1.3
117.07034	2.1
118.47652	1.0
119.08575	7.3
121.06494	17.4
121.10155	8.1
122.60275	1.1
123.04416	98.2
123.11700	1.2
127.03939	7.1
128.06236	3.4
131.04953	2.2
131.08540	2.4
133.06499	4.5
133.10133	8.9
135.04437	1.8
135.08055	2.8
135.11690	1.2
137.05956	1.7
137.09692	0.9
143.08531	8.7
145.04982	3.3
145.06505	3.7
145.10130	4.0
146.07257	1.7
147.04428	4.1
147.08076	3.9
147.11702	3.6
149.05965	81.8
149.13280	1.8
157.10110	2.6
159.08017	2.0
159.11703	3.6
161.05956	6.4
161.09579	10.0
161.13225	1.6
163.11159	1.3
171.08032	12.1
173.06010	1.4
174.06711	10.1
175.07568	3.2
175.11252	1.1
175.14816	2.1
179.03378	5.4
187.11192	2.3
187.14861	1.8
189.09088	91.9
189.16389	2.7
191.10721	1.6
197.13301	1.1
201.09253	1.3
203.10622	25.3
207.17451	1.3
215.10638	6.2
215.14290	0.9
233.15312	1.4
253.04906	1.1
253.07359	1.0
310.04596	0.9
323.12885	1.2
325.07166	4.8
325.14310	100.0
334.22513	0.9
349.10858	1.4
367.15195	2.2
451.32184	2.9
459.67728	1.1
469.33829	4.9
487.19656	36.5
487.34998	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	486.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05507	4.6
56.96555	0.5
57.03435	0.6
57.07076	0.4
58.06597	1.9
59.04995	1.0
60.90573	0.2
62.47043	0.2
67.05486	0.9
69.03437	1.7
69.07075	0.5
70.06586	1.1
71.04969	0.3
71.16800	0.5
71.17122	0.4
72.08147	2.3
73.02903	0.6
73.09275	0.3
79.05485	0.5
81.03410	1.3
81.07034	0.6
83.04982	1.9
84.08137	28.6
84.28476	0.3
85.02899	3.6
85.06516	1.1
86.06055	0.4
86.09696	0.8
87.04449	0.8
91.05468	2.3
93.07034	3.5
95.04967	3.1
95.08607	0.7
96.36775	0.3
97.02885	1.5
98.09687	0.5
98.97567	0.6
99.04450	0.9
100.11242	1.1
101.06011	8.7
101.07093	0.4
105.07022	2.8
107.04954	0.4
107.08581	8.0
109.02833	0.8
109.06503	0.8
109.10140	1.5
111.04408	0.6
114.09149	0.4
116.98615	0.8
119.04947	0.6
119.08590	1.1
121.06505	0.8
121.10105	0.6
123.11736	0.4
127.03928	1.0
128.10703	17.8
131.08557	0.4
133.10123	7.4
135.11679	5.2
137.05995	0.4
137.09615	0.9
138.05484	0.4
146.09297	0.3
146.11757	7.1
147.04395	1.7
148.04788	0.4
151.11156	0.7
161.09590	3.7
177.00699	0.5
179.03450	0.4
179.10658	6.8
180.10207	0.8
188.03745	2.1
188.12831	1.3
197.11713	3.8
201.54225	0.3
218.13911	0.4
225.68130	0.4
230.14011	0.6
248.14987	0.8
254.13745	0.3
272.15002	1.5
290.15958	6.5
290.19022	0.5
307.06097	0.3
308.17123	0.8
314.07004	0.5
421.10168	0.3
427.16504	1.4
486.26987	100.0
487.27100	1.7
506.08682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2872
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05507	3.7
55.10025	0.7
55.48422	0.8
57.03439	6.8
57.07072	23.7
67.05504	6.2
69.07062	5.0
69.40375	7.4
71.04989	0.7
71.08625	16.1
81.07053	7.1
83.08604	6.1
85.10175	9.5
89.06011	1.0
93.07026	1.9
95.08043	1.1
95.08603	14.3
97.06501	0.7
97.10166	2.4
98.98454	4.5
103.07592	1.1
104.23092	0.7
105.07010	1.4
107.08574	2.5
109.10165	6.5
119.08572	1.8
121.06480	0.7
121.10141	1.4
123.11700	1.6
133.10129	1.7
135.11690	1.6
137.13231	1.3
143.08533	1.0
145.10178	0.7
155.01019	2.7
173.13249	1.0
187.03583	0.8
187.14822	1.0
189.16533	0.8
202.50777	0.8
221.15309	0.7
229.15799	1.2
239.23621	2.8
257.24698	1.7
313.27344	100.0
314.27707	2.3
321.27393	0.9
449.25787	0.9
467.31644	2.1
485.32336	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
51.34705	0.3
55.01870	0.4
55.05507	1.7
56.96560	1.7
57.03432	0.5
65.03941	0.5
66.93036	0.4
69.03428	1.0
70.06593	3.3
70.77978	1.3
70.85027	0.3
72.08151	97.8
73.02920	0.5
73.06541	0.8
73.08473	1.1
79.05473	0.6
79.59856	0.4
81.03418	0.4
84.08118	1.4
84.96018	0.3
85.02912	1.9
86.06052	0.4
86.09695	0.9
88.07594	0.4
88.63583	0.3
89.03928	1.7
89.10788	26.6
91.05465	5.0
95.05006	0.4
96.08130	1.5
97.02886	1.7
97.27617	0.4
98.06065	3.3
98.09694	0.4
98.97591	1.6
99.04484	0.4
107.04962	2.7
109.02844	0.5
110.02399	1.1
110.07177	0.9
110.35747	0.3
112.07576	0.5
114.09167	0.4
114.10284	1.2
115.08682	3.1
116.98601	2.0
117.03397	1.8
117.06970	0.4
119.04939	16.8
120.05246	0.5
121.02887	0.7
125.91096	0.4
127.03915	1.1
130.08670	0.5
131.04868	0.5
131.12910	0.4
134.99660	1.5
135.04401	6.7
136.06212	0.5
137.06038	0.4
138.05469	0.5
138.09100	2.9
140.10727	0.6
145.02812	4.6
145.06511	0.8
146.05980	0.5
147.04399	100.0
148.04755	3.2
149.01237	0.4
149.04924	0.5
150.09193	0.5
152.05728	0.8
152.07088	1.3
156.10243	0.6
157.10826	0.8
158.99658	0.6
162.05504	1.7
163.03899	46.8
164.07072	0.8
169.09758	1.0
170.99576	0.4
173.06000	1.7
176.10780	0.9
177.00746	1.0
177.05521	0.4
190.98676	0.5
192.10297	0.6
196.04068	0.7
201.00798	0.6
202.14427	1.1
203.14784	0.7
214.05066	0.7
216.10243	1.3
217.13356	2.3
218.11755	24.2
219.01814	1.0
219.08157	0.7
219.12097	0.9
223.07597	0.5
226.05037	0.6
233.12825	4.4
234.11238	16.5
235.14400	23.3
236.14719	1.0
237.02858	1.4
237.09106	1.1
245.16452	0.8
249.06181	0.9
251.13914	9.9
261.15976	0.8
265.08597	2.7
267.06653	1.2
279.03842	0.6
280.09943	0.5
283.19949	0.4
305.18552	0.8
311.17752	0.4
318.15430	0.6
320.09360	0.5
323.19620	1.8
353.18552	0.6
362.13846	1.4
379.16519	3.6
380.14651	0.6
397.17493	6.7
398.21085	0.8
414.20218	0.6
423.18848	1.5
438.16376	0.4
441.19772	2.4
450.23517	0.7
467.19373	0.4
467.26746	5.4
468.25012	5.9
469.28009	0.8
485.27637	94.3
486.28091	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	485.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05508	4.9
56.96563	1.8
57.03426	4.5
57.07071	1.5
59.04993	2.0
60.97966	1.1
61.02925	1.7
67.05505	14.9
69.03432	8.8
69.07063	8.1
70.06577	4.7
71.04990	60.1
72.08147	11.5
73.02913	5.4
79.05487	4.2
81.03418	3.3
81.07053	75.4
83.06104	1.4
84.08140	5.1
85.02898	15.0
85.06534	14.9
87.04475	2.9
91.03941	1.1
91.05484	5.1
95.04977	1.5
95.08602	61.1
97.02890	9.4
98.09699	1.3
98.97530	2.1
99.08083	2.6
104.22652	1.3
107.04939	1.5
109.02877	3.2
109.10148	11.4
110.02403	4.7
111.11712	1.9
112.07616	1.8
115.03933	3.2
115.29749	1.1
116.98635	2.2
119.04946	3.2
127.03895	5.9
131.04889	2.0
133.04947	5.4
137.13252	18.0
145.02797	1.5
145.04944	2.0
146.06039	1.5
147.04382	9.3
147.64415	1.2
148.04784	2.6
149.09584	2.1
152.07083	3.3
155.14297	100.0
161.05980	1.2
163.03928	2.0
167.07190	1.4
173.15363	47.4
177.05418	2.0
180.10143	5.8
191.16417	84.1
197.04868	2.8
207.06471	2.0
215.05954	1.6
219.01826	2.1
233.07094	1.3
235.14232	1.3
237.02832	3.5
241.07335	1.7
272.23587	1.4
281.10736	1.6
323.12445	2.0
337.06882	2.5
353.21692	3.8
366.78793	1.5
367.08270	1.4
382.09152	1.6
392.11060	1.7
414.11569	2.4
425.07813	2.1
425.14468	10.3
443.08728	1.9
443.15747	2.1
449.08646	1.5
467.09564	3.1
467.20380	1.6
485.11337	3.1
485.18875	5.0
485.24057	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01846	1.8
55.05500	7.1
56.91399	1.5
56.96541	2.8
57.03419	5.5
59.04996	1.5
61.02921	1.7
67.05502	18.0
69.03416	14.6
69.07063	10.0
70.06586	7.3
70.75438	4.5
71.04987	78.1
71.08624	1.6
72.08147	28.9
73.02919	3.6
73.08482	2.2
79.05492	5.3
80.89291	1.4
81.03422	7.5
81.07049	77.4
81.47065	1.3
82.06603	1.7
82.72466	1.3
83.04970	2.4
83.06092	4.7
83.08610	1.7
84.08131	8.6
85.02894	17.9
85.06532	17.6
86.06050	1.5
86.09686	4.2
87.04453	5.8
89.10770	1.5
91.05471	10.0
93.07024	3.1
94.06584	1.7
95.04942	2.9
95.08598	71.0
97.02881	16.3
98.06033	3.6
98.09696	2.7
98.97572	2.8
99.04447	3.1
99.08073	2.7
101.06023	2.4
104.71761	1.5
105.07037	1.6
107.04918	4.1
107.08533	1.6
109.02847	6.3
109.10140	10.7
110.02388	19.8
111.04425	2.2
111.11691	1.8
113.09660	1.6
114.28642	1.4
115.03923	6.4
115.08614	1.4
116.98573	2.1
119.04937	6.6
119.08532	1.7
121.06447	1.8
121.10171	1.3
123.11702	1.8
124.07609	2.0
124.30967	1.3
127.03909	8.8
130.12242	1.9
130.31683	1.5
131.04887	3.3
133.04929	4.0
133.10139	2.0
135.04370	2.2
136.07507	2.0
137.02284	3.1
137.05937	1.8
137.13255	21.3
138.05453	1.6
140.07065	2.4
145.04958	2.6
146.05981	3.0
146.99545	2.0
147.04393	21.0
148.04767	4.1
152.07079	11.3
155.14290	100.0
163.03891	1.7
167.07037	2.4
169.09703	5.9
173.15367	45.1
177.05502	4.0
179.03479	3.2
191.07112	1.6
191.16408	75.2
197.04805	3.1
202.08636	1.9
207.06554	2.6
209.15367	1.5
215.05811	2.5
218.11768	3.5
219.76804	1.7
233.04639	1.9
237.02895	4.2
237.13089	1.9
259.14230	1.6
281.10767	1.9
290.15918	2.1
291.16431	2.0
305.10138	1.7
305.14520	1.7
311.09589	2.1
323.05466	3.0
323.12247	3.2
325.06934	1.9
337.07098	6.5
338.06635	4.6
353.21664	2.3
354.09647	4.4
365.06491	3.3
367.07971	2.2
382.09094	7.6
392.11743	1.9
414.11667	7.6
421.09149	3.1
425.08163	2.2
425.14389	12.8
443.09286	1.6
449.08731	4.0
467.09726	6.3
468.16470	2.4
485.11166	5.7
485.19046	20.6
485.23514	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	485.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.9
55.01849	0.6
55.05492	0.8
57.03411	2.0
61.02896	1.6
67.05483	2.0
68.99769	1.5
69.03429	8.1
71.04989	0.8
71.16432	1.6
72.50561	0.6
73.02892	1.3
77.88637	0.6
79.05463	0.9
81.03386	2.1
81.07032	2.0
83.04967	0.8
85.02420	0.9
85.02901	12.7
85.06503	0.7
87.04442	2.1
91.03916	1.1
91.05459	3.2
93.06997	1.7
95.04956	2.1
95.08587	1.5
97.02896	4.0
99.04427	1.3
104.19957	0.7
105.07008	1.8
109.02847	1.1
115.05441	0.9
117.06998	1.0
119.04942	0.6
119.08534	1.4
121.06456	0.9
123.04417	62.0
127.03898	3.0
128.06192	0.9
129.06966	2.8
131.04912	2.1
131.08524	2.4
133.06479	0.7
141.06976	1.5
142.07762	1.5
143.08546	0.9
144.05667	1.8
145.04933	2.0
145.06464	1.9
147.04404	3.2
149.05948	3.6
155.44185	0.8
157.10059	1.0
158.07233	1.0
159.04364	1.9
159.08040	4.6
161.06010	0.8
165.05443	2.9
173.05997	3.0
173.09595	0.7
177.05545	0.7
185.05972	1.3
185.09555	2.8
186.06767	3.7
187.07527	99.3
188.08138	2.3
189.09077	2.2
198.06712	2.7
201.09088	73.1
202.09544	0.9
213.09081	13.2
229.08623	0.8
267.06589	1.9
277.12216	1.0
305.11642	2.2
311.21252	2.2
323.12750	68.3
324.13159	1.6
365.13745	2.2
485.18042	100.0
486.18628	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	485.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93119	1.0
55.05505	1.1
57.03414	1.3
57.07088	0.8
63.72656	0.7
67.05504	4.7
69.03418	2.6
69.07057	3.3
70.43687	1.3
70.44077	1.6
71.05004	1.3
72.08160	0.8
72.80350	0.8
73.02907	0.9
79.05492	1.4
81.03407	1.3
81.07038	3.2
83.04984	1.4
83.08601	1.0
85.02907	5.9
85.06519	2.2
91.05456	3.5
93.07027	2.8
95.01340	0.8
95.04964	5.3
95.08611	3.7
95.40975	0.7
97.02882	2.4
97.06514	1.9
97.10136	0.7
99.04452	1.2
105.07001	3.1
106.90744	0.6
107.08591	3.1
108.23481	0.7
109.02897	1.6
109.06515	1.0
109.10136	3.3
111.04424	0.8
119.04942	1.2
119.08578	2.4
121.06541	1.0
121.10137	2.8
123.04417	92.7
123.11700	1.9
127.03916	1.0
129.06953	0.7
131.04945	1.0
131.08566	1.3
133.02773	0.8
133.10110	2.1
134.03592	1.3
135.04449	1.6
135.08038	0.9
135.11685	1.6
137.05971	1.0
137.09581	1.2
137.13214	1.1
141.01782	1.0
143.08542	1.8
145.06468	0.8
145.10106	1.6
147.04404	8.8
147.08029	0.8
151.03902	1.0
153.05446	1.3
157.06412	0.8
157.10173	1.4
159.08096	1.2
159.11800	1.0
161.05928	0.7
163.03908	0.9
163.06088	1.2
163.11221	0.9
165.09096	1.1
171.08116	4.0
175.07468	0.8
177.24586	0.8
187.07591	2.8
189.05545	1.2
189.09096	13.9
199.07507	1.1
201.09142	3.5
213.05583	1.5
213.09145	2.0
241.59842	0.8
245.09528	1.2
254.05772	0.8
267.06519	1.1
286.06259	0.8
290.09445	1.2
298.04773	1.3
301.08633	0.9
305.08447	0.9
309.07629	3.9
310.04715	14.8
313.07037	2.3
315.04926	1.8
318.08926	2.4
321.07541	0.9
323.06223	1.3
323.12744	49.1
324.06296	1.9
325.07022	42.1
326.07407	2.0
327.08591	1.9
329.07864	1.0
333.10995	3.9
335.09216	1.6
336.06113	1.8
337.06992	1.7
337.10779	1.2
338.07730	1.5
339.08771	2.6
345.07541	1.0
346.08392	6.3
349.10727	2.9
350.07593	1.3
351.08536	4.1
351.12341	2.8
353.09698	1.7
355.08163	1.6
357.08475	1.0
361.10678	16.9
363.08521	1.9
363.12421	1.3
364.09360	7.4
365.10226	3.4
366.10513	1.0
367.11597	5.1
377.10144	5.1
378.11035	1.0
379.11725	54.1
380.11972	1.3
391.11682	1.6
393.13205	4.2
395.11182	9.5
397.12650	4.2
409.12772	11.8
411.10602	2.1
421.16391	2.3
427.12769	1.1
431.15338	1.0
437.16016	1.0
449.15750	8.5
449.30481	1.1
467.16699	5.9
467.31918	1.1
485.18048	100.0
485.33215	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	485.1802
Annotation	Evodol
Peak:m/z	Relative Intensity
55.01861	0.7
55.05505	1.0
57.07048	0.5
59.05003	1.6
59.28210	0.3
61.02908	0.3
65.03928	0.4
67.05500	2.9
68.99805	0.3
69.03419	0.9
69.07057	1.3
69.29496	1.5
69.29915	2.1
71.04978	1.0
72.08149	0.4
73.96332	0.3
79.05490	1.5
81.03417	0.9
81.07056	3.6
82.02782	0.3
83.04985	1.7
83.08607	0.3
85.02895	3.6
85.06541	0.7
91.05473	1.3
93.07057	2.0
95.04954	1.2
95.08597	2.8
97.02879	1.5
97.06522	1.2
97.10146	0.4
99.04475	0.6
105.03419	0.5
105.07016	1.9
107.04947	0.7
107.08595	1.8
109.02885	0.8
109.06509	0.9
109.10155	1.9
111.04498	0.4
111.08092	0.3
117.03374	0.4
117.06977	0.4
119.04908	0.6
119.08589	1.6
121.06456	0.6
121.10153	1.5
123.04427	2.8
123.08067	0.7
123.11710	0.9
124.07038	0.3
125.05906	0.4
125.09595	0.3
127.03925	1.7
129.05418	0.4
129.06970	0.6
130.58490	0.3
131.08565	1.0
133.02852	0.4
133.06488	0.3
133.10126	0.8
134.03627	0.8
135.04370	0.4
135.08069	0.9
135.11682	0.8
137.05951	0.9
137.13246	0.6
139.07565	0.3
141.01851	0.8
141.05472	0.6
143.08502	0.5
145.04951	0.5
145.10155	1.0
147.04437	0.8
147.06505	0.3
147.11714	0.7
149.06042	0.6
149.09612	0.6
149.13248	0.7
151.03885	1.1
151.07530	0.6
151.11205	0.4
153.05498	0.6
155.08507	0.6
157.10089	0.6
159.02913	0.3
159.04373	0.4
159.08035	0.6
159.11713	1.0
161.02338	0.4
161.05904	0.5
161.09541	0.5
161.13234	0.5
163.03978	0.4
163.06161	0.6
163.07478	0.4
163.11150	0.7
163.14891	0.3
165.05481	0.5
167.07133	0.6
167.08356	0.4
173.09761	0.3
173.13245	0.7
175.07559	0.7
175.11259	0.3
175.14835	0.6
177.05464	0.4
177.09207	0.4
185.06007	0.4
185.13280	0.4
187.07556	1.4
189.01826	0.7
189.05515	0.3
189.09100	0.6
201.09087	1.5
207.02963	0.8
213.05556	0.9
213.09113	0.9
214.69148	0.3
225.05412	0.3
225.09187	0.4
229.04961	0.5
231.06439	0.5
235.02290	0.4
240.07759	0.4
242.24416	0.3
245.04500	0.6
253.04991	0.4
267.06512	2.0
281.08096	0.6
291.06918	0.3
293.08218	0.4
295.09744	0.4
298.04703	1.1
298.08279	0.4
301.08328	0.3
305.04480	0.4
305.08142	0.5
305.25119	0.4
307.09583	0.6
309.07486	1.0
310.04776	2.2
313.07138	1.2
319.06165	0.4
319.09647	0.5
321.07651	0.7
321.11237	0.7
322.04672	1.3
322.08423	0.8
323.05591	5.4
323.09106	0.7
323.12701	5.2
324.02661	0.9
324.06247	1.0
325.07126	2.8
326.04181	6.7
326.07834	0.7
327.08395	0.4
334.08441	0.6
335.09161	0.9
335.12775	0.7
336.06290	1.2
336.10019	0.5
337.07053	3.8
337.10788	0.7
338.04156	1.1
338.07864	2.1
339.05008	3.3
339.08557	0.7
340.05814	0.8
341.06540	15.6
342.03610	0.6
346.08386	0.6
347.09067	0.7
348.09879	0.4
349.06998	0.8
349.10687	1.5
350.07825	0.4
351.04813	0.5
351.08652	3.7
351.12347	0.5
352.09378	1.6
353.06488	2.0
353.10275	3.5
355.08072	2.5
357.05948	0.8
361.10736	2.0
362.07938	1.2
363.04227	0.3
363.08646	1.3
363.12579	0.6
364.05573	0.5
364.09561	1.6
365.06165	1.5
365.10516	1.9
366.10989	0.7
367.08014	0.7
367.11832	4.8
373.10736	1.5
374.11618	0.4
375.08652	0.9
376.09525	0.9
377.10165	4.4
378.07135	0.6
379.07874	1.4
379.11841	4.8
380.08841	3.0
389.09741	0.6
389.13892	0.8
391.07300	0.6
391.11835	4.3
392.12567	1.8
393.09622	1.3
394.10492	1.0
395.11224	17.9
397.12900	1.3
403.15457	0.5
406.14282	1.7
407.14996	6.9
409.12756	4.9
413.12292	7.1
421.16528	5.0
431.14972	1.1
431.31537	0.4
437.15811	0.3
439.17505	0.3
449.16101	3.9
449.32498	0.7
452.14578	0.6
467.17023	100.0
468.17139	2.0
485.10910	1.4
485.18112	7.3
485.28046	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	485.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
55.05484	2.8
57.03424	7.3
61.02913	19.9
61.77576	1.6
67.05490	8.7
67.17506	1.9
68.86295	1.7
69.03401	6.3
69.07058	3.3
71.01357	2.7
71.04987	18.4
72.08155	3.6
73.02905	11.3
75.04466	6.5
79.05478	4.2
81.03403	3.5
81.07050	11.6
82.07386	2.8
83.04967	8.3
83.08614	3.0
85.02898	100.0
86.03260	2.2
87.04414	1.9
91.03946	25.4
91.05477	5.0
93.07036	7.2
94.07366	2.0
95.01308	12.6
95.04945	3.1
95.08611	3.5
97.02887	24.1
99.04462	3.4
101.02334	2.4
103.03909	3.9
105.07011	6.9
107.08585	6.0
109.02856	3.4
109.10118	3.0
111.04414	8.3
113.02329	2.4
118.63065	1.8
119.04917	1.8
119.08575	5.2
121.10111	4.6
123.04398	2.0
123.11626	2.1
127.03890	21.8
129.05463	19.4
131.08521	5.2
133.10101	3.5
141.01820	38.3
145.04941	19.8
145.10117	2.0
146.53941	1.7
147.06494	14.1
159.02838	10.9
159.11682	2.2
163.06010	38.7
163.14789	2.2
165.07620	3.5
175.07516	3.1
177.03928	2.3
207.06477	2.2
253.38579	1.9
291.10757	2.0
305.08636	5.5
308.75766	1.8
309.11520	2.4
337.06912	2.2
379.11514	2.5
485.20020	11.0
485.32690	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	484.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
57.06822	1.0
57.07077	11.7
58.06602	1.1
59.54180	0.6
67.05496	2.1
69.07057	1.8
70.06588	10.6
71.08629	5.2
71.55247	0.8
73.02912	1.2
81.07037	2.1
83.08606	1.7
85.10181	3.3
88.07626	14.5
95.08597	3.4
97.10137	1.1
102.09171	10.3
108.33104	0.6
109.10143	1.1
156.05040	0.6
174.61710	0.6
184.20686	0.5
203.01120	1.2
228.23218	43.2
246.24301	3.5
255.23135	3.3
256.26443	1.9
283.23758	0.5
283.26312	43.0
484.47235	100.0
485.30313	6.0
485.47232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05496	5.3
57.03441	8.9
57.07080	2.0
59.62926	1.5
61.02922	20.9
61.99205	1.7
67.05490	4.8
69.03409	6.3
69.07063	3.5
69.76998	10.0
71.01353	3.8
71.04990	19.3
72.08133	2.1
73.02923	10.0
75.04475	7.0
79.05504	3.7
81.03401	5.4
81.07047	6.7
83.04984	10.6
85.02901	100.0
85.60167	1.5
87.04440	2.6
91.03954	24.4
91.05482	3.4
93.07012	3.9
95.01346	12.8
95.04964	3.3
95.08599	6.8
97.02888	23.7
99.00824	2.6
99.04455	4.4
101.02350	1.6
103.03937	2.9
105.07013	6.2
107.04964	1.8
107.08569	5.6
109.02870	3.7
109.10171	3.6
111.04452	8.5
113.02328	2.0
115.03945	2.2
119.08568	6.2
121.10124	5.8
123.04471	7.3
123.08106	1.7
123.11716	1.7
124.73775	1.3
126.82468	1.6
127.03915	20.3
129.05490	16.5
129.06961	1.4
131.08685	1.6
133.10117	6.9
135.08092	1.9
135.11647	2.8
141.01820	43.8
143.08562	1.8
145.04958	22.1
145.10143	3.5
147.04445	3.7
147.06509	14.8
147.08099	2.3
149.09612	1.9
149.50583	1.7
157.10068	1.7
159.02916	11.6
159.11673	2.6
163.06017	32.7
165.07602	2.3
171.06625	2.0
173.09557	1.6
175.07570	2.6
175.14752	2.0
187.07579	3.7
187.14874	2.1
201.09074	2.5
305.08676	7.0
321.08105	1.7
323.09341	2.5
323.12793	7.3
325.07059	4.8
365.10172	2.1
379.11853	3.4
429.12054	2.4
442.47488	1.6
467.31683	3.5
485.19351	9.6
485.33331	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	484.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60540	0.2
53.03961	0.2
55.01855	0.3
55.05497	0.5
57.03422	0.3
60.04498	0.2
65.03928	0.6
68.46990	0.1
68.99776	0.2
69.03422	1.1
69.07047	0.3
70.06593	1.3
71.04985	0.2
71.62650	0.3
72.08152	8.8
73.02901	0.2
73.06532	0.5
73.08484	0.3
74.06059	0.2
81.03414	0.9
82.06536	0.2
84.04497	0.2
84.08141	1.0
85.02901	1.9
86.06069	0.5
86.09692	1.4
87.00808	0.3
87.04456	0.7
89.10778	0.4
90.09188	2.5
91.05473	6.2
97.02879	0.7
98.06036	0.4
98.09673	0.5
99.04455	0.2
100.96188	0.1
105.01846	0.5
105.07012	0.3
107.04967	0.2
109.02881	1.3
110.02386	1.3
110.07132	0.2
111.02776	0.2
114.10300	0.4
116.07042	0.2
119.04935	19.1
120.05238	0.3
120.08093	0.2
121.02894	0.2
121.06535	0.4
122.06035	0.2
127.03909	2.2
127.08672	0.2
129.10120	0.2
130.08630	0.1
131.04909	0.3
136.07559	0.3
138.05499	0.2
140.07079	0.3
145.04932	0.6
145.13162	0.1
146.11754	0.2
147.04399	100.0
148.04729	1.6
148.61113	0.2
152.07054	0.8
157.06596	0.2
159.02953	0.3
161.05986	0.3
163.03992	0.3
167.07088	0.2
169.09682	0.4
173.11696	0.2
175.04013	0.2
183.11293	0.4
185.05949	0.2
187.07539	0.5
189.05656	0.2
199.07373	0.2
203.07083	0.2
207.06554	0.3
211.07436	0.2
213.05617	0.3
217.11694	0.2
218.11769	0.7
227.06992	0.3
231.06635	2.9
235.14391	0.3
236.12798	10.2
249.06152	0.2
255.06438	0.3
257.12555	0.2
273.07568	0.7
288.31613	0.2
291.08600	0.3
295.71631	0.1
322.12732	0.3
377.08865	0.4
380.17276	0.2
381.18240	0.3
382.18152	0.3
395.09747	1.1
395.20160	0.2
396.19913	0.3
413.10794	1.7
466.16803	0.2
482.08118	0.2
484.17908	3.0
484.24023	0.4
484.30072	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	484.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
52.03136	0.1
52.22983	0.2
55.01847	0.2
55.05493	0.7
57.03439	0.3
58.06577	0.2
61.02935	0.2
65.03905	0.8
67.05482	0.2
69.03420	0.7
69.07068	0.2
69.64635	1.4
69.71710	0.2
70.06577	1.1
71.04984	0.5
72.08151	8.4
73.02917	0.2
73.06554	0.2
73.08478	0.2
81.03406	0.6
82.06580	0.4
83.04963	0.5
84.08141	2.1
85.02899	1.7
85.06544	0.3
86.09695	0.5
90.09188	0.3
91.05477	6.3
94.06556	0.3
95.04978	0.2
95.08588	0.5
96.08150	0.2
97.02886	0.7
97.06490	0.2
98.06048	0.3
99.04450	0.4
100.07603	0.3
100.11259	0.2
101.06007	1.0
105.01842	0.3
107.04951	0.3
108.86042	0.2
109.02887	1.1
109.10123	0.2
110.02390	0.7
111.04472	0.2
112.07538	0.2
113.09651	0.3
117.03370	0.5
119.04937	17.5
120.05273	0.2
121.06523	0.3
127.03893	1.5
127.07555	0.2
128.10701	0.8
129.05472	0.2
138.05505	0.5
141.09076	0.3
143.11832	0.2
145.02846	1.3
145.04947	0.6
146.08131	0.7
146.11752	0.5
147.04399	100.0
148.04750	1.5
152.07047	0.3
155.10684	0.3
159.10191	0.5
165.05498	0.2
173.11803	0.2
177.05464	2.4
179.03386	0.2
183.06523	0.3
184.28783	0.2
185.05975	0.2
187.07544	0.5
195.02916	0.2
203.07043	0.2
207.06451	0.4
218.11827	0.3
227.07076	0.2
231.06622	4.9
235.14439	0.2
236.12834	0.8
249.06114	0.4
255.06551	0.6
273.07565	1.1
290.16031	1.6
295.60880	0.2
307.01129	0.2
359.07971	0.2
377.08673	0.6
395.09634	2.1
396.20459	0.2
413.10767	3.6
470.39371	0.2
484.18082	3.9
484.22339	1.7
484.29935	0.5
484.36133	0.2
485.19208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
53.22414	0.9
55.01839	1.8
55.05507	39.6
57.03437	11.0
57.07069	21.1
60.71324	1.0
62.69542	1.1
65.03914	1.8
67.05502	14.3
69.03430	3.4
69.07063	54.2
71.08623	10.6
79.05498	7.4
81.03422	1.3
81.07050	29.1
83.01357	3.6
83.04978	3.9
83.08614	41.2
85.06542	2.1
85.10184	5.5
91.05456	3.8
93.07045	10.1
95.04937	2.1
95.08041	2.0
95.08600	27.8
97.06515	10.5
97.10164	27.7
98.98457	9.4
105.07047	5.9
107.04956	1.5
107.08597	7.8
109.06507	3.1
109.10146	13.5
111.04434	9.1
111.08065	1.7
111.11700	13.8
117.06982	1.4
119.04967	1.5
119.08572	4.5
121.06494	2.6
121.10135	7.6
123.04460	2.0
123.08073	2.0
123.11691	9.9
125.05980	6.9
125.09599	1.6
125.13260	3.8
127.03938	1.5
129.05411	1.3
129.06981	1.4
131.08600	3.1
133.10138	4.5
135.04419	11.5
135.11685	4.7
137.05988	5.2
137.09639	1.3
137.13260	6.0
139.03896	17.4
139.07535	16.1
141.05423	1.3
145.10135	3.1
147.08037	1.4
147.11746	2.3
149.09607	2.0
149.13277	2.9
151.07553	2.6
151.14828	3.5
153.05452	37.4
155.01065	3.7
155.07022	4.6
157.10081	2.3
159.11691	3.4
161.09660	1.5
161.13219	1.3
163.07555	1.6
163.11188	1.8
163.14783	2.1
165.05466	15.9
165.09125	1.8
165.16347	1.2
167.07030	14.3
169.10188	1.3
171.06514	94.4
172.06909	1.2
173.02135	1.2
173.13297	1.6
175.14841	1.3
177.09114	2.7
179.10681	3.2
183.06516	4.2
187.11139	1.2
187.14987	1.4
189.08984	1.2
191.10629	1.7
195.10097	2.1
195.11795	1.3
195.13748	1.4
199.11203	1.8
205.12268	1.5
207.13818	1.6
209.11685	3.0
215.14240	1.4
217.12329	1.6
219.13829	2.1
221.11667	1.2
233.11726	1.5
233.15306	2.0
235.13307	1.5
237.22101	1.3
239.12698	1.5
277.28671	1.2
295.18829	1.4
309.20529	1.3
311.25784	100.0
312.26144	8.8
324.39987	1.2
373.30960	1.4
401.34180	2.0
411.32547	4.0
419.34900	1.4
419.49222	1.1
429.33594	27.0
430.33731	1.3
447.24957	2.9
447.34647	26.0
465.29898	2.4
465.35696	14.4
483.30392	8.6
483.36679	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	483.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01862	1.7
55.05507	33.5
55.46475	1.2
57.03434	10.5
57.06815	1.9
57.07076	21.6
59.31110	1.0
63.68948	0.9
65.03938	2.5
67.05501	13.6
69.03417	2.1
69.07063	58.5
69.56941	7.8
71.04964	1.3
71.08627	9.2
71.88351	1.3
75.26638	0.9
79.05498	8.0
81.07053	31.3
81.38419	1.2
83.01335	3.2
83.04981	3.5
83.08131	2.2
83.08617	38.1
85.02908	1.7
85.06519	1.9
85.10178	5.3
85.30647	0.9
91.05476	4.5
93.07031	8.1
95.04942	2.5
95.08598	26.0
97.06514	9.8
97.09189	1.3
97.10165	29.5
98.20671	2.0
98.98465	7.9
105.07045	7.0
107.04974	2.3
107.07495	1.1
107.08592	8.1
109.06499	3.5
109.10139	14.0
111.04438	8.2
111.08051	2.0
111.11713	14.2
111.60218	1.1
113.06026	1.2
117.07001	1.3
119.04942	2.1
119.08588	6.2
121.06496	2.4
121.10139	7.1
123.04419	2.5
123.08093	3.0
123.11694	11.1
125.05979	6.5
125.09631	1.3
125.13280	4.3
127.03888	2.6
131.08546	2.9
131.12140	1.0
133.10106	3.7
135.04414	12.4
135.08029	2.6
135.11690	3.1
137.05991	4.7
137.09692	1.1
137.13249	5.0
139.03896	18.7
139.07527	13.8
141.05492	1.8
143.08575	1.5
145.10101	2.6
147.04353	1.6
147.11729	2.3
149.13234	3.0
151.07498	2.7
151.11197	1.1
151.14848	1.6
153.05461	35.7
153.06740	1.7
155.01010	4.0
155.07010	4.6
157.10197	1.1
159.11676	2.6
161.05882	1.0
161.09593	1.8
161.13243	2.0
165.05467	14.3
165.09221	2.3
167.07036	13.8
171.06520	96.1
173.13219	2.1
175.07506	1.4
175.11133	1.7
175.14871	2.9
177.09111	1.4
177.81285	1.2
179.10690	2.6
183.06480	2.2
183.10062	1.2
187.11220	1.8
187.14789	2.0
189.16342	1.6
191.10674	2.2
193.12279	1.4
201.16422	1.2
203.10623	1.2
205.12221	2.1
207.13791	1.7
207.17484	1.0
209.11720	1.6
215.14278	1.9
216.18040	1.3
217.12085	1.3
219.13889	1.5
233.11684	1.7
233.15396	2.4
235.13306	1.7
237.22165	1.2
239.12874	2.4
245.15422	1.3
292.95850	1.3
295.19223	1.3
309.20618	2.1
311.25790	100.0
312.26099	10.1
401.34250	3.0
411.32385	5.2
412.04675	1.4
429.33646	26.3
430.34058	1.7
447.24960	2.7
447.29019	1.6
447.34656	24.4
448.35385	1.4
465.30029	2.2
465.35797	14.6
483.30356	9.8
483.37112	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	483.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34197	0.2
53.00291	0.3
55.01871	0.4
55.05507	0.8
56.96558	1.3
57.03427	0.6
58.93086	0.2
60.05657	0.3
60.39917	0.2
61.02929	0.5
65.03941	0.5
65.93626	0.2
69.03418	1.6
69.07056	2.1
70.06593	1.4
70.27023	0.2
71.04978	0.3
71.06893	0.2
71.61958	0.3
72.08150	32.4
73.02914	0.6
73.08495	0.3
74.06060	0.3
81.03426	0.7
82.02949	0.3
84.08131	1.5
84.96074	0.2
85.02904	3.0
86.06054	0.2
86.09698	23.3
87.04462	0.5
89.10787	5.6
91.03943	0.3
91.05473	5.1
92.07116	0.6
97.02887	1.8
97.07661	0.2
98.02432	0.5
98.06042	1.2
98.09685	0.4
98.97580	1.7
99.04444	0.4
101.00883	0.6
101.06029	0.3
103.12338	4.1
103.12971	0.2
105.06989	0.3
107.04968	0.8
109.02874	0.6
110.02396	10.8
112.07598	0.2
114.09187	0.2
114.10223	0.2
115.08686	0.9
116.07105	0.3
116.98609	1.3
119.01924	3.8
119.04935	16.3
120.02030	0.2
120.05276	0.3
121.02913	0.3
123.04414	0.2
127.03909	1.7
128.98586	0.9
129.05531	0.2
129.10245	0.5
131.00180	0.6
131.01907	1.4
131.12936	0.3
133.03532	0.5
133.10095	0.2
134.99635	1.0
137.03003	0.5
137.05978	0.2
139.02403	0.2
140.06941	0.2
143.01895	2.1
144.02069	0.3
145.03465	1.7
145.04921	0.6
145.06482	0.4
146.06003	0.7
146.99689	0.8
147.04396	100.0
148.04726	2.1
149.01176	0.5
149.02998	0.5
149.05957	0.2
151.08582	1.1
152.07056	5.2
152.99606	0.3
155.01862	2.3
156.01991	0.3
157.03471	1.1
158.99629	1.2
161.01382	0.5
161.02945	3.9
161.05936	0.3
162.00163	0.2
162.03102	0.4
163.04526	0.4
165.00641	0.2
165.10272	0.7
166.08620	2.8
167.01947	0.8
167.07097	0.5
169.03445	0.3
169.09720	2.5
170.99548	0.2
171.05028	0.5
173.01390	0.4
173.02954	5.9
174.03105	0.5
175.04535	0.6
176.10748	0.6
177.00720	1.6
177.02243	0.4
177.05525	0.6
179.02089	0.3
183.05083	0.3
183.11269	3.8
185.02959	5.9
186.03156	0.4
186.99239	0.3
187.04521	1.0
189.00752	1.1
191.02379	0.5
191.03918	0.8
193.00122	0.4
193.03676	0.3
196.04466	0.2
197.02954	2.3
199.04536	0.4
200.04251	0.3
201.00687	0.8
201.02419	4.1
201.04185	0.4
201.06041	0.4
203.04001	2.0
205.00258	0.3
207.08104	0.4
208.04575	0.3
209.03017	0.6
211.04698	0.3
213.02446	1.3
214.12544	0.2
215.03999	1.2
217.13338	2.4
218.11755	11.6
219.01721	1.2
219.03503	11.7
219.06866	0.3
220.03603	1.3
221.05054	0.5
225.02460	0.3
226.05650	0.2
227.03963	0.9
229.05637	0.3
231.03555	1.2
231.06660	0.4
231.14920	1.0
232.03458	0.3
232.13388	1.3
235.14407	9.5
236.14702	0.6
237.02654	1.3
237.04814	0.4
237.09200	0.3
240.02187	0.4
242.05141	0.4
243.03606	0.5
245.05051	12.3
246.05191	1.3
249.04672	1.0
249.15979	9.3
250.16356	0.3
253.07875	0.3
255.03442	0.7
257.05060	0.6
261.02371	0.4
261.04999	1.4
263.06149	1.5
265.08606	0.4
272.06500	0.3
273.04517	0.4
275.06097	1.5
276.06366	0.4
277.07690	0.4
279.05795	0.7
281.06958	1.1
281.57135	0.5
282.01672	0.4
282.07382	0.3
283.06790	0.7
289.08142	0.3
290.15753	0.2
291.05811	0.3
293.07306	0.9
303.05557	3.2
303.08829	0.3
303.13187	0.3
305.07260	1.2
306.07300	0.2
312.58258	0.3
313.09296	0.3
321.06796	5.1
321.10507	0.7
322.06885	0.8
335.08182	0.7
337.09991	0.3
344.08414	0.2
362.09872	0.3
363.07523	0.4
365.09460	1.2
381.17993	3.7
395.19864	3.0
412.22507	0.3
465.28641	2.6
466.27151	2.0
476.87662	0.3
483.11877	1.9
483.17416	11.9
483.29626	67.9
484.12015	0.7
484.18799	1.1
484.29861	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	483.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.5
56.05021	0.5
60.05635	1.9
61.95301	0.4
69.03389	1.3
69.07064	4.3
70.06570	2.0
71.61403	0.8
72.08150	48.8
78.92908	0.4
81.03404	1.0
82.02933	0.7
84.08128	1.6
85.02886	1.8
86.09699	39.3
89.10786	2.8
91.03786	0.4
91.05474	4.9
97.02874	0.9
97.03964	0.7
98.02394	2.1
98.06042	1.1
98.09670	0.5
98.97717	0.5
99.04437	0.4
103.12321	1.2
107.04946	2.0
109.02872	0.9
109.03982	1.1
110.02396	22.4
115.08737	0.4
119.04938	14.4
121.02886	0.6
124.03907	0.5
127.03913	1.1
137.05951	0.8
140.28566	0.4
145.06487	1.0
147.04398	68.9
148.04759	1.3
151.08653	5.7
152.07059	12.1
165.10242	3.7
166.08606	5.0
168.11406	0.5
169.09697	4.1
182.13023	0.7
183.11276	5.5
212.08269	0.6
217.13359	6.1
218.11748	3.2
223.07547	1.0
231.06517	0.6
231.14844	2.6
235.14404	6.2
237.09093	1.0
237.15976	1.0
249.15955	1.0
253.20209	2.1
254.18550	0.8
265.08768	1.0
281.08102	0.5
285.12463	1.5
293.08334	0.6
303.13165	2.5
319.15228	0.8
320.15253	0.6
321.14377	2.1
360.73566	0.5
377.18848	0.8
381.18170	3.5
394.21439	0.6
395.19943	2.3
397.19662	1.8
412.22348	1.1
439.20639	3.3
448.25870	0.7
465.28622	11.3
466.27124	2.4
483.19699	13.5
483.29639	100.0
484.29913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57567	0.3
54.64387	0.4
55.05496	0.6
65.03934	0.6
69.03404	0.5
69.07043	0.9
69.20061	0.3
70.06584	3.0
70.75898	1.0
72.08151	26.0
84.04491	0.4
84.08125	0.3
85.02890	0.7
86.09703	15.0
89.10788	5.9
91.05472	4.6
98.06056	1.6
103.12331	3.9
107.04939	0.6
110.02403	2.2
112.07584	1.1
115.08665	1.1
119.04087	0.8
119.04935	15.5
120.08064	0.6
121.02843	0.5
123.04482	0.5
127.03882	0.5
131.04895	0.5
138.05524	0.4
140.07077	2.2
141.07430	0.4
146.06000	1.3
147.04398	100.0
148.04724	2.3
152.07051	1.5
163.03889	0.8
166.08618	0.8
174.44597	0.3
176.10648	0.4
177.05545	0.3
183.11211	0.5
217.13333	2.0
218.11746	12.4
219.12001	0.3
231.14868	0.7
232.13287	1.7
235.07556	0.6
235.14417	10.5
235.64514	0.5
249.15970	9.6
251.18312	0.3
253.08546	0.5
256.15500	1.5
263.07162	0.4
276.27374	0.4
277.16489	0.5
279.06647	0.6
281.08139	1.2
378.13394	0.6
381.18069	0.7
395.15771	1.0
395.20068	0.6
434.32504	0.4
465.28925	0.6
466.27097	1.5
483.29721	56.4
484.30060	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	483.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
55.05500	0.3
56.96548	0.4
65.03915	0.6
69.03413	0.7
69.07056	0.7
70.06574	0.7
71.03777	0.4
71.04987	0.3
72.08148	18.8
77.52400	0.2
79.05476	0.2
81.03388	0.2
84.04497	0.3
84.08137	0.4
85.02903	1.1
86.06043	0.4
86.09696	11.5
89.10249	0.3
89.10781	5.2
91.05470	5.4
95.04927	0.2
97.02893	0.8
98.06006	0.8
98.97561	0.6
102.27915	0.2
103.11636	0.2
103.12332	4.2
107.04939	0.3
109.02879	0.4
112.07603	0.2
114.09200	0.2
115.08672	0.6
116.98600	0.4
118.37234	0.2
119.04931	16.6
120.05260	0.3
121.02818	0.2
121.06530	0.2
125.02354	0.2
127.03883	0.5
128.98596	0.2
129.10197	0.4
131.04890	0.2
134.99634	0.3
138.05473	0.2
140.07086	0.2
145.04974	0.2
147.04393	100.0
148.04710	2.0
152.06934	0.2
158.08096	0.2
158.44177	0.2
158.99608	0.3
162.09154	0.2
163.03928	0.3
164.07141	0.2
166.08775	0.2
176.10730	0.3
177.00688	0.5
177.05510	0.2
187.04062	0.2
190.12302	0.3
217.13370	0.3
218.11742	12.0
219.12085	0.4
232.13319	1.5
235.14391	10.6
236.14758	0.3
237.00613	0.2
237.02742	0.8
242.15205	0.5
249.15962	10.0
250.16394	0.4
253.08388	0.2
279.06610	0.4
281.08249	0.3
291.07678	0.3
309.08539	0.7
378.13553	0.4
381.18204	0.6
394.21194	0.3
395.15527	1.1
395.20316	0.3
465.28476	0.4
466.27069	1.3
469.28284	0.3
483.29642	46.4
484.23615	0.2
484.30084	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23653	0.7
53.80096	0.6
55.01864	0.9
55.05512	1.1
68.39610	0.7
69.03436	0.7
69.07065	9.0
69.37768	7.1
70.06579	1.6
72.08154	100.0
73.08485	1.4
80.01367	0.7
82.02939	1.4
84.08147	2.4
85.02905	1.5
86.09703	62.7
89.10789	4.7
91.05458	3.2
95.04961	0.6
97.02884	0.7
98.02412	4.3
98.06044	1.6
98.20683	1.2
99.38383	0.6
103.12360	1.6
107.04963	1.4
110.02399	74.0
112.07571	0.9
115.08689	0.8
118.06535	1.0
118.09543	0.7
119.04948	7.4
124.03928	2.2
127.03936	1.0
138.09203	0.8
143.06139	0.7
144.08073	0.9
145.06496	1.6
146.06033	2.9
147.04404	42.5
148.04730	1.3
151.08693	1.9
152.07059	37.6
165.10243	0.9
166.08633	25.2
169.09724	22.6
170.10077	0.9
183.11285	37.3
184.11583	1.0
188.07068	5.7
205.09738	2.7
209.09729	0.7
217.13379	1.6
218.07286	0.7
218.11775	4.5
231.14894	0.9
235.14378	3.2
237.09084	1.3
249.16025	3.0
265.08560	1.5
267.11340	1.3
285.12378	2.1
303.13452	2.7
320.27496	0.7
321.14560	2.8
350.18271	0.7
375.14807	0.7
381.18079	37.4
382.18433	2.1
395.19656	28.2
439.20001	0.7
465.28506	2.5
483.29703	92.6
484.30298	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99064	3.7
53.03942	8.9
55.01848	5.5
55.05502	25.6
57.03438	26.0
57.07053	4.1
60.02448	4.7
61.02924	60.6
65.03936	6.2
67.05171	5.0
67.05504	84.7
69.03425	47.2
69.07060	20.7
69.88779	17.2
69.89190	9.1
71.01334	4.8
71.04997	6.3
73.02912	31.2
78.66071	3.8
79.05485	56.8
81.03409	24.0
81.07050	95.0
83.04966	12.9
83.08602	9.3
85.02416	7.1
85.02894	64.4
85.06515	6.4
91.03944	42.6
91.05461	38.8
93.07028	65.5
95.04948	14.0
95.08593	86.2
97.02888	55.6
97.06520	8.1
97.10119	8.1
98.20720	4.3
99.04450	12.6
101.02370	16.8
103.03928	12.9
105.07018	39.4
107.08590	52.5
109.02851	13.6
109.06480	8.2
109.10156	38.2
111.04401	6.1
111.08069	6.2
115.03850	4.4
116.14398	4.3
117.05508	5.6
117.06974	9.6
119.08585	36.7
121.06466	6.7
121.10127	44.6
123.04453	4.8
123.08038	9.7
123.11684	13.5
127.03923	21.7
129.05490	5.5
131.08545	28.9
133.10098	28.5
135.08067	8.5
135.11688	23.1
143.08548	9.3
145.04930	10.1
145.10103	29.7
147.08075	6.2
147.11688	22.3
149.13185	15.2
157.10144	6.1
159.06607	3.9
159.11662	17.7
161.09601	7.9
161.13258	8.1
165.12704	5.1
171.11655	8.6
173.13153	11.0
175.11143	5.1
175.14784	6.1
183.06584	7.2
185.13301	6.0
187.14716	8.4
201.07574	5.5
217.12424	5.3
229.19551	7.9
233.15280	4.9
247.20525	22.8
275.94153	4.8
321.24216	100.0
331.22571	4.9
349.23447	5.3
355.22440	8.8
405.13434	4.8
419.72986	4.9
429.25974	5.0
433.12689	12.6
437.30524	9.3
447.27600	6.2
451.13483	5.5
465.15060	12.7
465.29575	19.6
483.18268	4.8
483.29846	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.295
Annotation	Fusicoccin H
Peak:m/z	Relative Intensity
53.03926	8.2
53.85699	3.2
54.05904	2.7
55.01869	6.8
55.05513	22.1
57.03431	28.2
57.07057	3.6
61.02924	53.6
67.05169	5.9
67.05499	85.7
69.03120	3.8
69.03423	38.4
69.07053	21.0
71.01347	6.2
71.04987	8.9
73.02921	23.0
79.05489	63.1
81.03411	23.9
81.07050	100.0
83.04967	7.9
83.08597	11.6
84.92888	3.0
85.02897	64.8
87.04444	4.5
87.26723	3.0
91.03944	36.3
91.05469	43.5
93.07034	61.1
95.04943	17.0
95.08043	5.8
95.08604	79.5
97.02887	48.6
97.06512	6.6
97.10166	3.2
98.21507	7.0
99.04446	8.2
101.02357	14.8
103.03924	9.4
105.07026	41.1
107.04900	4.7
107.08590	43.8
109.02862	12.0
109.06543	5.8
109.10149	38.1
117.07003	11.9
119.08568	34.2
121.06514	8.6
121.10156	34.2
123.04411	3.5
123.08041	5.5
123.11664	7.1
125.09602	5.3
127.03929	25.2
129.05492	5.5
129.07037	3.6
131.08569	26.4
133.10114	25.1
135.08078	4.4
135.11653	26.5
143.08514	5.4
145.04938	9.3
145.10132	17.1
147.11726	19.1
149.13235	16.4
151.07541	3.7
157.10150	7.6
159.11705	16.1
161.09576	5.0
161.13268	8.2
163.11115	3.8
163.14861	5.0
164.34915	3.5
169.10204	5.0
171.11633	7.0
173.13222	11.7
183.02853	4.4
185.13141	4.0
187.14851	5.4
199.24123	3.7
201.07472	3.9
229.19377	7.0
247.20531	27.8
287.19955	4.9
289.21567	4.7
303.23273	4.1
321.07748	4.8
321.24225	91.9
325.06970	24.3
343.07996	7.9
349.23596	4.8
429.25565	3.8
447.17804	4.5
465.19403	4.4
465.28656	12.0
465.35739	3.8
467.81857	3.5
483.21133	5.4
483.29666	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	1.2
55.05507	18.3
56.55418	0.7
57.03433	8.0
57.07073	8.3
67.05508	4.0
69.07063	22.0
70.58498	1.1
70.58885	1.5
71.08622	6.1
78.01022	0.7
78.64463	0.7
79.05483	1.9
81.07064	4.7
83.08130	1.4
83.08610	20.7
85.06516	0.7
85.10165	2.4
93.07029	3.0
95.08581	2.1
97.06502	2.1
97.10171	14.0
98.98457	8.2
104.10738	1.2
107.08588	1.6
109.10123	1.6
111.08098	1.6
111.11711	3.6
121.10145	2.8
122.07033	0.7
123.11733	0.9
135.11659	1.4
137.13237	1.2
145.10164	0.7
149.13300	1.5
155.01047	4.3
191.99660	0.8
228.10472	0.9
237.22054	1.0
311.25772	100.0
312.26309	1.8
348.66940	0.7
396.78647	0.9
447.25006	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41588	0.7
55.05264	1.3
55.05511	17.5
57.03432	6.1
57.07070	8.4
57.50194	0.7
64.66351	0.7
65.39677	0.8
67.05497	4.0
69.07064	25.5
71.08624	6.3
79.05480	2.3
81.07043	4.5
82.82827	0.8
83.08612	20.3
85.10171	2.7
93.07035	2.2
95.08618	5.1
97.06517	2.5
97.10168	14.1
98.21524	1.5
98.98461	6.6
107.04951	0.8
107.08585	2.7
109.10142	1.7
111.08061	1.5
111.11690	3.8
119.08545	1.8
121.10144	3.1
123.11726	0.9
125.09623	1.6
125.13266	1.6
133.10103	1.1
135.11685	3.1
145.10156	0.7
155.01068	4.1
183.19861	0.9
219.21169	1.0
237.22156	1.0
262.61435	0.9
311.25784	100.0
312.26227	2.0
411.66940	1.0
447.24902	3.5
465.29941	1.3
483.30151	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	483.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.02987	0.7
55.05510	1.3
57.33766	0.5
65.03947	0.8
67.05489	1.2
69.03409	1.4
69.07072	0.9
69.69585	4.0
70.06581	2.6
72.08150	17.4
78.04711	0.5
79.05482	1.2
81.03434	1.3
81.07048	1.9
82.02937	1.1
83.05001	0.9
84.08131	1.0
85.02893	2.0
86.09720	2.6
89.03896	0.6
89.10816	0.7
91.05474	8.9
93.07046	1.3
95.05003	0.9
95.08586	1.5
97.02887	1.2
97.06543	0.7
97.07652	6.8
98.02431	1.0
98.06065	0.8
98.09689	0.8
99.04468	1.0
100.11246	0.6
105.07052	1.2
107.04966	1.6
107.08578	0.8
109.02823	0.9
109.06534	0.8
109.10133	1.3
110.02394	34.1
113.03472	0.8
114.10284	38.1
115.05415	0.7
115.08689	2.1
119.04932	19.2
119.08601	1.3
121.06463	0.7
121.10159	0.9
123.04411	1.4
123.08044	0.9
127.03898	2.2
131.04889	0.7
131.08531	0.6
131.12962	1.0
133.10167	0.9
135.11720	1.0
137.05986	0.8
145.06485	1.5
147.04395	45.7
148.04727	0.7
149.05998	0.9
151.04099	0.5
151.07547	1.1
151.08659	0.9
152.07050	20.3
152.08273	1.1
157.03865	0.9
157.10927	0.7
161.05878	0.8
161.13304	0.5
162.10291	1.6
163.11169	1.1
167.07047	1.0
169.09741	2.4
173.05984	1.2
175.03894	20.9
177.05492	0.9
181.06444	1.0
188.08235	1.6
194.09283	1.3
207.06509	24.9
211.11897	9.9
213.08986	1.4
217.13437	1.5
218.11755	2.5
241.08560	2.1
246.15140	0.8
258.08969	0.6
259.15607	1.3
260.13989	1.9
263.08347	0.6
273.11176	3.3
277.16629	6.4
283.06311	0.7
299.05890	0.9
306.23071	0.5
319.17709	1.0
320.16245	1.1
322.14282	0.9
328.27545	0.6
337.18546	4.4
395.19699	0.7
424.17654	1.1
433.11533	0.8
441.20349	1.2
466.18320	4.9
483.22385	100.0
484.22635	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.5
55.05458	1.5
57.03397	0.4
59.04939	0.8
61.27209	0.3
62.01564	0.2
65.03882	0.4
67.05498	1.8
69.03368	2.1
69.07060	2.1
70.06532	0.6
71.04960	0.6
71.62369	0.3
71.62754	0.4
72.08093	0.5
77.69584	0.3
78.88809	0.2
79.05498	2.0
81.03394	1.3
81.07049	5.0
83.04910	1.3
83.08580	0.5
84.08066	0.4
85.02833	1.1
85.06477	1.2
86.09669	0.3
91.05486	1.8
93.07028	3.0
95.04973	1.5
95.08598	4.1
97.02873	1.7
97.06452	0.7
97.10091	0.9
99.04421	0.4
99.08038	0.5
100.11187	1.0
105.07021	2.5
107.04901	0.6
107.08584	2.7
109.02808	0.9
109.06458	1.0
109.10149	2.6
111.04396	0.5
111.08012	1.0
117.06964	0.5
119.04888	0.5
119.08598	1.9
121.06425	0.8
121.10153	2.3
123.04359	0.8
123.07978	1.0
123.11647	1.1
125.09545	0.8
127.03917	1.6
131.04889	0.6
131.08492	1.2
133.06433	0.3
133.10068	1.2
135.07982	0.7
135.11682	1.3
137.05893	1.2
137.09541	1.3
137.13193	0.4
139.07452	0.8
139.11099	0.3
143.08490	0.4
143.10597	0.5
145.06418	0.5
145.10104	1.7
147.04393	1.4
147.08054	0.7
147.11597	1.0
149.05896	0.5
149.09532	0.6
149.13208	0.8
151.03883	0.4
151.07449	1.3
151.11108	0.5
153.01811	0.4
153.05391	1.0
153.09003	0.3
153.12639	0.3
155.07014	0.4
156.13803	0.3
157.10162	0.6
159.11609	0.8
161.05884	0.4
161.09593	0.8
161.13257	0.5
163.03922	0.3
163.11186	0.6
163.14766	0.3
165.09070	0.5
167.07047	2.0
168.07443	0.4
171.11627	0.6
173.13152	0.4
175.03925	0.4
175.11026	0.5
175.14742	0.6
177.09077	0.5
177.11131	0.3
177.12759	0.3
179.06960	0.3
179.08437	0.3
179.10532	0.4
181.12193	0.6
187.14702	0.5
188.04588	0.4
189.12639	0.6
191.03336	0.3
191.10591	0.4
193.08542	0.5
193.12173	0.6
195.08177	0.4
195.10089	0.3
197.13219	0.3
201.09082	0.3
203.03304	0.7
203.10648	0.3
205.04851	0.3
205.12199	0.4
206.05762	0.5
207.06458	0.4
211.13261	0.7
216.04134	2.4
217.04868	0.5
217.12088	0.4
217.15744	0.5
219.10085	0.4
234.05136	1.8
235.16899	0.9
243.17482	0.4
245.04390	2.1
251.06894	0.6
261.03809	0.7
265.08588	1.1
266.09399	1.6
276.07642	0.5
277.08496	0.9
279.06516	1.2
293.07977	2.6
294.08807	1.3
303.23175	0.8
304.07205	0.5
305.07996	0.9
306.09055	0.4
307.05951	1.8
308.06735	0.3
310.04724	0.4
321.04193	0.4
321.07559	2.8
321.24191	0.4
322.04666	1.6
322.08313	2.4
323.05527	0.7
324.05991	0.4
325.07196	0.6
326.04224	0.6
332.06796	0.5
333.07578	0.8
335.05493	1.5
337.06992	3.1
337.10580	0.4
339.04953	0.7
341.06528	1.1
348.06219	0.7
349.07059	2.0
350.04108	1.2
350.07849	8.5
351.08368	0.4
353.06461	0.5
361.10553	0.4
362.07565	0.7
363.04648	0.3
363.08734	0.8
365.06540	2.8
365.10355	0.8
367.08069	0.4
376.05792	1.1
377.06250	0.3
377.10153	1.6
378.07306	27.8
379.07690	1.2
379.11798	0.9
380.08951	0.8
389.10172	1.0
391.07953	1.5
392.09052	0.6
393.09650	100.0
394.10388	2.9
395.11343	2.2
404.12399	1.5
405.13483	0.5
407.11261	3.2
409.09177	1.1
411.10727	85.3
412.11298	1.9
419.14789	3.2
422.13412	0.5
423.14481	0.4
427.10129	0.5
429.30072	1.0
437.15973	6.5
447.14545	3.0
447.31049	0.9
465.15329	2.1
465.28687	0.8
483.16513	23.6
483.28537	0.8
483.39081	0.8
484.16858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1649
Annotation	Cycloartelastoxanthendiol
Peak:m/z	Relative Intensity
55.01833	0.5
55.05458	1.5
57.03397	0.4
59.04939	0.8
61.27209	0.3
62.01564	0.2
65.03882	0.4
67.05498	1.8
69.03368	2.1
69.07060	2.1
70.06532	0.6
71.04960	0.6
71.62369	0.3
71.62754	0.4
72.08093	0.5
77.69584	0.3
78.88809	0.2
79.05498	2.0
81.03394	1.3
81.07049	5.0
83.04910	1.3
83.08580	0.5
84.08066	0.4
85.02833	1.1
85.06477	1.2
86.09669	0.3
91.05486	1.8
93.07028	3.0
95.04973	1.5
95.08598	4.1
97.02873	1.7
97.06452	0.7
97.10091	0.9
99.04421	0.4
99.08038	0.5
100.11187	1.0
105.07021	2.5
107.04901	0.6
107.08584	2.7
109.02808	0.9
109.06458	1.0
109.10149	2.6
111.04396	0.5
111.08012	1.0
117.06964	0.5
119.04888	0.5
119.08598	1.9
121.06425	0.8
121.10153	2.3
123.04359	0.8
123.07978	1.0
123.11647	1.1
125.09545	0.8
127.03917	1.6
131.04889	0.6
131.08492	1.2
133.06433	0.3
133.10068	1.2
135.07982	0.7
135.11682	1.3
137.05893	1.2
137.09541	1.3
137.13193	0.4
139.07452	0.8
139.11099	0.3
143.08490	0.4
143.10597	0.5
145.06418	0.5
145.10104	1.7
147.04393	1.4
147.08054	0.7
147.11597	1.0
149.05896	0.5
149.09532	0.6
149.13208	0.8
151.03883	0.4
151.07449	1.3
151.11108	0.5
153.01811	0.4
153.05391	1.0
153.09003	0.3
153.12639	0.3
155.07014	0.4
156.13803	0.3
157.10162	0.6
159.11609	0.8
161.05884	0.4
161.09593	0.8
161.13257	0.5
163.03922	0.3
163.11186	0.6
163.14766	0.3
165.09070	0.5
167.07047	2.0
168.07443	0.4
171.11627	0.6
173.13152	0.4
175.03925	0.4
175.11026	0.5
175.14742	0.6
177.09077	0.5
177.11131	0.3
177.12759	0.3
179.06960	0.3
179.08437	0.3
179.10532	0.4
181.12193	0.6
187.14702	0.5
188.04588	0.4
189.12639	0.6
191.03336	0.3
191.10591	0.4
193.08542	0.5
193.12173	0.6
195.08177	0.4
195.10089	0.3
197.13219	0.3
201.09082	0.3
203.03304	0.7
203.10648	0.3
205.04851	0.3
205.12199	0.4
206.05762	0.5
207.06458	0.4
211.13261	0.7
216.04134	2.4
217.04868	0.5
217.12088	0.4
217.15744	0.5
219.10085	0.4
234.05136	1.8
235.16899	0.9
243.17482	0.4
245.04390	2.1
251.06894	0.6
261.03809	0.7
265.08588	1.1
266.09399	1.6
276.07642	0.5
277.08496	0.9
279.06516	1.2
293.07977	2.6
294.08807	1.3
303.23175	0.8
304.07205	0.5
305.07996	0.9
306.09055	0.4
307.05951	1.8
308.06735	0.3
310.04724	0.4
321.04193	0.4
321.07559	2.8
321.24191	0.4
322.04666	1.6
322.08313	2.4
323.05527	0.7
324.05991	0.4
325.07196	0.6
326.04224	0.6
332.06796	0.5
333.07578	0.8
335.05493	1.5
337.06992	3.1
337.10580	0.4
339.04953	0.7
341.06528	1.1
348.06219	0.7
349.07059	2.0
350.04108	1.2
350.07849	8.5
351.08368	0.4
353.06461	0.5
361.10553	0.4
362.07565	0.7
363.04648	0.3
363.08734	0.8
365.06540	2.8
365.10355	0.8
367.08069	0.4
376.05792	1.1
377.06250	0.3
377.10153	1.6
378.07306	27.8
379.07690	1.2
379.11798	0.9
380.08951	0.8
389.10172	1.0
391.07953	1.5
392.09052	0.6
393.09650	100.0
394.10388	2.9
395.11343	2.2
404.12399	1.5
405.13483	0.5
407.11261	3.2
409.09177	1.1
411.10727	85.3
412.11298	1.9
419.14789	3.2
422.13412	0.5
423.14481	0.4
427.10129	0.5
429.30072	1.0
437.15973	6.5
447.14545	3.0
447.31049	0.9
465.15329	2.1
465.28687	0.8
483.16513	23.6
483.28537	0.8
483.39081	0.8
484.16858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01865	1.9
55.05508	20.0
57.03424	3.2
58.06598	11.3
59.05005	3.7
67.05512	1.1
69.03429	10.1
69.07060	1.1
69.08112	0.5
70.06595	4.7
70.71862	1.2
71.01350	0.6
71.04983	2.0
72.08154	8.0
73.02911	1.9
73.06554	0.8
76.07653	0.9
79.05511	0.6
81.03407	3.3
81.07024	0.8
82.06563	0.8
83.04479	0.8
83.04978	12.4
84.08140	48.6
85.02903	10.2
85.06536	2.1
85.08445	0.6
86.09701	7.5
87.04462	1.6
91.05469	3.5
94.06575	0.7
94.71484	0.6
95.04972	1.4
97.02892	16.7
97.06534	0.8
98.06056	1.3
98.97535	1.0
99.04457	2.1
100.11255	2.7
101.06013	47.0
103.12337	1.9
105.07035	0.9
106.02917	4.3
107.04908	0.6
107.08615	0.8
109.02875	3.8
110.02403	1.3
110.07191	0.8
111.04443	1.0
112.07611	0.8
112.55511	0.6
113.02436	0.6
115.03909	1.9
115.08699	0.7
116.07032	0.6
116.98619	0.7
119.04949	8.9
121.02853	0.8
122.05979	0.7
123.04424	0.7
124.03954	1.9
124.07585	0.6
127.03926	5.5
128.10715	19.9
128.11653	1.1
129.05452	0.8
134.99747	0.6
136.07556	1.0
137.05995	2.1
138.05452	3.1
140.07069	1.0
144.10184	1.7
145.04977	1.1
146.10858	0.5
146.11757	36.0
147.04407	42.1
148.04758	1.2
151.03877	1.0
152.07080	1.1
161.05975	0.8
162.09164	0.6
167.07059	1.7
173.08070	1.1
177.05434	0.8
179.06967	0.6
183.11331	0.6
191.11604	0.9
198.11281	1.8
201.13626	3.4
202.14417	1.5
203.08247	0.5
218.11812	2.6
218.13911	4.5
235.14449	1.6
242.13879	9.0
249.15981	11.7
260.14926	51.5
261.15378	0.7
268.12823	0.6
275.13812	0.6
276.14563	1.6
281.07944	0.6
291.13910	0.5
314.03403	0.5
320.13196	0.8
320.16885	1.5
395.19757	6.1
422.20227	31.6
464.25562	1.4
482.25986	100.0
483.18515	4.0
483.26199	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01872	2.0
55.05506	2.2
56.05032	1.2
57.03427	3.3
59.04992	1.7
61.02915	2.1
65.03925	0.7
67.05494	2.8
69.03426	8.3
69.07066	5.0
70.06583	3.1
71.01345	0.8
71.04987	17.4
71.63427	0.9
72.08146	2.4
73.02913	7.1
73.06541	3.2
75.01508	0.5
79.05483	4.2
79.28263	0.6
79.44772	0.5
81.03412	8.3
81.07056	17.6
83.04980	2.6
83.08615	2.5
83.59189	0.5
84.04516	0.8
84.08133	2.2
85.02900	23.1
85.06540	0.7
86.09710	1.1
87.04463	1.0
87.90157	0.4
91.03950	1.3
91.05475	4.9
93.07040	10.5
94.06499	0.5
95.04964	3.6
95.08593	3.4
97.02885	12.7
97.06532	2.9
97.10181	0.6
97.67467	0.5
98.09680	0.7
99.04453	1.7
101.06016	0.6
104.05289	1.2
105.07045	2.8
107.04951	1.8
107.08595	9.6
108.04386	0.5
109.02858	2.2
109.06535	1.4
109.10152	2.1
111.04456	0.8
111.08098	1.6
111.11697	0.7
114.30588	0.5
115.03905	4.2
117.07037	0.7
119.04945	1.7
119.08579	3.3
120.08102	13.6
121.10120	2.3
122.06050	0.7
123.04436	2.3
123.11700	0.8
124.03938	1.3
125.06001	0.7
127.03915	7.9
129.05467	2.3
129.07018	0.8
129.10262	0.7
131.08594	1.5
133.04956	4.6
133.06500	0.7
133.10150	2.9
135.04425	0.6
135.11691	16.5
137.06009	1.0
137.09608	1.0
138.05505	0.7
139.03802	0.6
139.11151	2.1
145.04961	5.0
147.04379	4.8
147.06497	1.1
147.11681	2.2
149.05899	0.6
149.09605	0.8
151.03865	0.8
151.07547	0.9
153.05472	4.1
153.12733	100.0
154.05801	2.2
154.13091	1.3
157.10106	1.8
157.12228	2.2
161.05977	0.8
163.06012	1.5
163.07300	0.8
164.07069	0.6
167.07039	1.6
171.13779	2.4
173.05983	0.7
175.04005	0.7
175.11172	1.3
175.14801	1.2
177.05463	1.0
180.10219	1.2
185.07172	0.6
193.04948	0.6
193.08609	0.7
193.12218	6.0
207.06535	0.7
211.13268	4.7
223.06053	1.2
235.10794	0.8
241.07042	0.9
259.08109	2.3
267.15927	2.9
285.16949	20.7
295.10190	0.7
303.17923	0.6
308.14429	0.6
310.13922	0.6
320.08490	0.9
320.12015	1.0
442.42236	0.6
482.19415	0.9
482.26633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20291	1.5
50.53446	1.4
53.03931	3.3
55.01867	10.5
55.05500	4.6
57.03441	13.4
61.02924	12.6
62.40304	1.4
63.03102	1.7
65.03938	1.9
67.05509	7.2
67.07912	1.3
69.03425	28.1
69.07055	4.8
70.06575	4.9
71.04975	3.3
71.63201	2.7
72.08151	8.5
73.02912	47.4
79.05480	13.1
81.03413	7.4
81.07050	13.2
83.04964	3.9
84.08131	6.0
85.02901	63.6
85.03418	3.5
86.06019	1.4
86.09705	4.5
87.04461	4.3
91.05479	20.7
93.07037	83.2
95.04951	8.6
95.08607	13.1
97.02270	2.9
97.02883	41.1
97.06522	6.1
98.06024	2.1
98.09685	3.9
99.04451	5.5
99.31742	1.6
103.03947	2.4
104.80074	1.4
105.07018	9.7
107.04942	4.5
107.08588	100.0
108.08905	1.5
108.36838	1.5
109.02867	10.1
109.06516	3.0
109.10130	8.1
110.02414	3.7
110.07154	2.3
112.03955	1.6
112.07648	1.6
115.03915	19.6
119.04912	5.6
119.08570	4.8
119.44721	1.7
120.08119	1.7
121.02853	6.8
121.10149	5.1
122.03206	2.3
123.04438	3.7
123.11697	2.3
127.03920	26.1
131.08563	1.9
133.04968	20.1
133.06522	2.8
133.10110	5.1
135.04439	3.1
135.11679	83.1
137.05986	5.8
137.09451	1.8
138.09242	2.0
139.03850	1.8
145.04944	25.3
145.10100	4.7
147.04424	9.3
147.11612	3.2
149.05988	2.5
152.07040	2.8
153.12753	10.4
159.11734	2.0
161.05902	2.4
163.03899	5.1
163.05980	8.0
163.07484	2.5
165.12868	1.8
167.07014	1.9
169.09793	2.2
177.12743	1.9
203.03421	2.4
204.03705	2.1
217.04968	1.6
219.13698	1.8
223.05986	3.8
231.13725	1.8
234.86230	1.5
235.14218	1.9
241.07048	3.4
249.15012	2.5
259.08151	5.9
267.15955	6.6
283.05966	1.7
285.17136	1.7
295.05887	4.3
295.10223	3.7
296.06287	3.1
297.16901	1.8
308.06360	5.0
309.07062	1.7
319.08524	2.0
320.08649	8.3
321.07617	4.9
322.07895	8.1
333.07486	1.8
334.07840	3.9
336.09341	3.1
349.06897	3.3
350.07474	8.2
360.09177	2.1
362.07275	5.5
364.09128	2.4
374.07330	2.6
379.08179	2.1
380.08386	6.9
388.08759	1.9
390.10504	1.8
392.08438	5.1
398.09378	8.1
416.08371	3.0
422.09189	2.0
434.09488	5.1
446.09125	4.2
464.10611	7.8
482.11719	36.5
482.18750	5.0
483.11783	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80631	0.9
53.03939	1.3
55.01861	2.2
55.05511	5.2
57.03434	4.2
61.02913	1.5
61.24708	0.9
67.05493	5.8
67.33632	0.8
68.40717	0.9
69.03419	2.6
69.07061	3.0
70.06580	3.3
71.04974	1.5
71.30299	1.6
71.30624	1.0
72.08147	1.0
73.02904	0.9
79.05482	6.8
81.03413	29.2
81.07054	10.3
83.04968	5.1
83.08615	10.4
84.08130	1.5
85.02895	12.4
85.06507	0.8
86.09721	0.8
91.03949	2.3
91.05482	10.9
93.07026	6.8
95.04970	11.5
95.08606	4.2
97.02888	3.2
97.06522	3.3
97.10124	1.1
99.10455	0.8
104.22651	0.9
105.07025	8.2
107.04952	2.5
107.08585	3.1
109.06543	1.4
109.10146	2.0
110.58945	0.9
111.08079	5.9
111.25761	0.8
112.07642	1.1
113.06004	1.3
117.06979	1.5
118.54470	0.9
119.08579	8.0
121.10136	3.1
123.04411	4.2
123.08075	1.6
127.03893	2.1
129.07005	5.2
131.08575	4.6
133.06476	1.6
133.10097	6.1
135.11722	1.2
136.07654	0.9
137.05960	1.2
137.09601	2.0
147.04405	2.2
147.08096	1.1
147.11678	8.1
149.05920	4.0
149.09647	2.6
153.12735	1.5
157.10107	6.3
163.07503	1.6
165.12827	1.3
167.07062	2.2
171.13989	0.9
175.11201	7.5
175.14816	1.3
193.12228	23.7
211.13283	20.5
252.09256	1.2
267.15903	8.1
285.11328	3.7
285.16943	100.0
286.17252	1.7
303.12131	4.3
377.20560	0.9
447.22156	1.9
482.27582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06465	0.6
55.01871	1.3
57.03434	0.9
62.73758	0.6
67.05487	2.9
68.99780	5.4
69.03422	5.6
69.07049	0.7
69.72219	1.8
69.72629	2.4
70.06568	1.3
71.04984	1.3
71.96085	0.6
72.08142	2.2
73.02898	1.8
77.91887	0.6
79.05488	2.5
81.03397	1.8
81.07056	4.2
83.04955	0.9
84.08125	1.2
85.02419	0.9
85.02901	13.3
87.04450	0.7
91.05476	2.8
93.07031	3.2
95.04951	3.6
95.08607	2.6
97.02876	4.5
97.06528	1.2
103.05470	0.8
105.07046	1.8
107.04947	1.7
107.08576	2.8
109.02862	2.5
109.06499	0.9
109.10149	0.9
110.02396	0.8
115.03928	0.9
117.06987	0.7
119.04908	0.7
119.08516	1.5
121.02881	0.8
121.06486	4.6
123.04420	100.0
124.04759	1.1
127.03918	4.2
129.07033	1.0
133.04973	1.0
133.10063	0.9
135.08006	1.5
135.11707	2.2
137.05962	1.6
145.04933	1.8
147.04413	3.5
147.08070	3.2
149.05969	80.5
151.03879	2.1
151.07533	1.6
152.04202	1.1
153.05460	1.2
161.05923	0.9
162.10294	0.6
163.07533	42.2
165.05421	1.3
167.00641	0.6
167.07030	37.2
171.13864	0.8
175.07535	10.3
179.03433	0.8
180.03891	0.7
180.10187	1.2
181.08611	2.4
181.10529	0.6
189.05426	0.9
193.08556	1.5
239.07036	0.9
267.10144	0.9
275.99347	0.7
283.06046	0.8
285.11194	83.6
286.11475	1.4
301.07394	0.7
302.07349	0.9
303.12250	89.3
304.12518	1.2
308.11453	0.7
309.07697	1.0
309.11279	1.7
319.08167	1.5
320.08450	4.0
327.12222	3.5
350.07770	0.8
351.12384	1.7
369.13333	1.3
393.13266	1.3
408.05615	0.7
411.14371	1.6
429.15598	1.0
447.16547	4.2
448.83365	0.6
453.57071	0.6
464.10443	0.9
466.18170	1.8
482.11597	2.8
483.11438	0.8
483.22266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
54.07151	1.1
55.01860	2.4
55.05514	6.0
55.87412	1.0
57.03440	6.3
61.02916	3.5
62.70765	1.0
67.05502	8.1
68.99778	7.0
69.03422	8.3
69.07062	4.9
70.06583	5.8
70.97211	2.6
71.04981	4.4
72.08147	4.3
73.02897	2.2
76.71256	1.0
79.05497	10.2
81.03409	31.4
81.07059	15.8
83.04967	7.2
83.08611	9.1
84.04491	1.7
84.08143	4.3
85.02901	24.2
85.06536	1.2
86.09700	1.9
87.04446	1.4
91.03963	2.3
91.05476	15.0
93.07038	11.1
95.04964	15.0
95.08582	6.6
97.02889	8.3
97.06522	4.6
97.10153	1.1
98.20711	1.1
99.04472	1.5
103.05451	1.8
105.07021	11.7
107.04947	4.9
107.08574	6.0
109.02860	2.7
109.06493	3.0
109.10136	2.3
111.04443	1.5
111.08096	4.8
112.07607	2.4
117.07027	1.8
119.04897	1.8
119.08573	11.5
120.08082	2.5
121.06468	4.7
121.10157	5.9
121.10904	1.1
123.04420	100.0
123.08067	2.2
123.11697	2.0
124.03962	1.6
127.03922	11.1
129.07021	5.4
130.08601	1.5
131.08549	5.2
133.06487	1.6
133.10141	7.8
135.08047	3.5
135.11688	3.1
137.05931	1.5
138.05453	1.9
140.07071	1.6
142.07776	1.3
145.04945	1.6
145.10123	2.5
147.04398	11.0
147.08037	4.7
147.11674	6.4
148.04779	3.1
149.05974	71.9
149.09616	3.8
151.07474	1.3
152.07111	1.3
153.12753	1.9
157.10112	7.9
163.07527	39.5
163.11171	1.3
165.05519	1.0
165.12782	2.5
167.07024	29.3
171.13809	1.3
175.07510	9.1
175.11188	5.8
175.12585	0.8
175.14847	5.0
179.08479	1.1
180.10291	1.0
181.08586	3.4
187.07437	1.3
192.94641	1.1
193.12228	21.9
193.13852	1.7
207.06424	1.1
211.13274	18.6
213.01935	1.1
267.15860	5.8
285.11243	70.3
285.16919	87.3
286.11374	1.8
303.12238	58.8
304.12628	1.4
309.11258	3.0
327.12238	1.4
351.12497	2.3
393.13342	1.1
411.14273	1.4
447.22147	2.2
482.25839	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	481.365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42036	0.7
70.77341	0.7
71.62169	1.2
101.62251	0.9
126.89323	0.8
137.29755	0.9
155.70157	0.9
194.21255	1.0
216.47163	0.8
242.28740	0.9
308.28247	0.9
463.35538	2.7
464.68222	1.0
481.36511	100.0
482.36624	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28201	0.7
59.92611	0.8
69.34455	0.7
71.55063	0.8
71.62751	1.1
71.63097	0.8
80.61533	0.7
87.81802	0.7
100.96491	0.6
162.26715	0.7
197.44476	0.7
411.99829	0.8
463.35342	3.4
481.36493	100.0
482.36816	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	481.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
55.05510	16.8
57.07069	10.2
59.80530	2.4
67.05499	12.9
69.07064	31.0
69.88689	4.4
69.89101	9.3
71.08624	7.5
79.05500	2.9
80.24554	2.0
81.07050	26.5
83.04999	2.9
83.08619	22.3
85.02878	2.5
85.10172	4.2
91.05504	3.3
93.07042	7.6
93.94620	2.4
95.04971	3.3
95.08605	19.2
97.10162	17.4
98.20818	4.0
99.00814	4.9
99.04465	8.3
105.07021	3.5
107.08590	6.6
109.06527	6.5
109.10151	10.9
111.04394	3.9
111.11723	11.1
119.08598	7.5
121.10180	3.4
123.11697	4.8
125.06023	4.5
127.03923	7.0
133.10107	2.5
135.11722	3.9
137.05995	8.4
139.03894	78.2
139.07454	3.0
145.10092	3.5
147.11661	2.6
149.05978	2.6
149.09644	3.2
151.03902	7.2
151.07533	4.4
151.14894	3.6
153.05455	23.0
159.11671	3.2
163.03909	2.8
163.07582	2.9
167.06996	5.2
169.04979	28.2
171.06520	5.7
174.45280	2.0
177.09250	2.5
179.07233	1.9
181.03354	5.1
181.04956	100.0
187.06102	2.8
191.10623	3.2
205.12216	5.0
221.11659	2.5
223.09686	3.6
237.11208	3.5
279.16135	2.4
291.16293	2.8
309.29919	22.0
309.39548	2.1
329.48288	2.7
335.30112	2.6
341.09943	2.3
399.32596	16.1
427.32135	13.8
445.33136	26.1
463.34534	13.2
470.02704	2.5
481.28696	6.7
481.33206	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	481.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.5
55.05508	26.4
55.93127	3.6
57.07072	19.4
66.17611	3.4
67.05508	17.9
68.99807	4.8
69.07065	59.6
69.75326	14.7
69.75761	12.8
71.08626	9.9
79.05477	8.3
81.07049	64.9
83.04943	4.2
83.08621	32.2
85.06542	4.5
85.10190	6.5
93.07029	8.6
95.08602	45.2
97.10177	25.7
98.20660	4.8
105.07027	11.4
107.08601	11.2
109.06514	14.2
109.10172	32.2
111.04429	6.7
111.11709	16.4
113.06031	4.8
117.06969	4.7
119.08597	9.4
121.10133	4.7
123.11720	14.8
125.06015	8.2
125.13216	5.7
127.03881	3.9
133.10121	5.4
135.11707	7.0
137.05978	100.0
137.13248	11.2
145.10089	12.5
147.11664	4.4
149.09625	4.1
149.13361	4.0
151.03889	52.8
151.07565	8.3
151.14795	7.8
157.10158	6.3
159.08031	4.6
159.11679	10.5
161.09677	6.4
161.13281	7.8
163.14851	4.4
165.09203	4.7
169.04961	34.1
171.11676	4.3
173.09671	9.4
175.11197	7.4
175.14690	4.0
187.11069	5.0
189.12813	4.4
193.12265	5.4
195.13731	3.5
205.12334	7.9
217.19408	3.9
219.13774	5.3
221.11783	4.9
229.15932	3.6
273.18259	3.8
299.23923	4.2
381.31540	6.9
383.32938	7.1
399.32465	5.2
401.34201	7.9
409.30847	5.9
419.35397	5.4
427.31924	17.8
445.33035	14.9
481.35300	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.6
55.05508	29.3
57.07083	14.6
67.05505	13.6
68.99807	2.1
69.07066	44.6
69.93164	10.6
71.08627	10.0
79.05483	9.3
81.07054	64.8
83.08617	27.8
85.10165	4.1
90.91020	2.0
91.05502	3.0
93.07040	8.2
95.04983	2.1
95.08601	44.2
95.09156	3.3
97.06499	2.5
97.10166	20.0
98.21523	1.8
100.40250	1.8
105.07014	6.7
107.08578	7.2
109.06498	13.0
109.10155	21.8
111.04421	4.5
111.11715	12.5
113.06014	5.5
119.08609	10.0
121.10145	7.0
123.08085	2.2
123.11703	14.4
125.05978	5.8
125.13268	5.3
127.03923	3.9
131.08565	4.6
133.10118	5.5
135.07999	3.7
135.11739	4.7
137.05974	100.0
137.13298	9.9
139.14801	3.2
143.08545	3.5
145.10115	5.9
149.13177	1.8
151.03903	44.2
151.07550	8.2
151.14815	5.8
153.05431	4.3
157.10110	5.3
159.11705	8.7
161.09604	2.6
161.13303	10.2
163.14809	2.9
167.07019	2.1
169.04959	29.8
171.11699	3.6
173.09660	7.5
173.13278	4.4
175.11179	8.2
175.14893	2.5
181.04971	3.8
185.09691	3.9
185.13266	2.0
187.11226	4.5
187.14830	2.9
189.12801	2.7
191.10594	2.4
193.12241	6.7
193.19591	2.2
197.13202	2.1
199.11226	2.0
201.12756	3.1
201.16304	2.5
205.12215	5.6
207.13734	5.2
213.16319	2.2
215.14203	4.1
217.12189	2.1
219.02704	2.1
219.10175	3.8
219.13750	2.4
221.11736	4.5
221.15413	2.2
231.13719	2.2
249.18448	2.6
257.19104	2.5
263.12863	2.2
263.20047	4.0
275.20132	2.4
277.21658	2.6
277.28821	4.2
289.18155	2.7
289.21667	2.4
305.17523	2.5
305.24780	4.1
319.19458	2.3
345.28229	2.5
381.31555	9.8
383.33099	5.8
399.32715	6.3
401.34036	6.0
409.31030	4.2
419.35205	6.9
427.32129	13.5
445.33057	13.5
463.34186	4.7
481.32993	9.7
481.37949	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	481.352
Annotation	Brassinolide
Peak:m/z	Relative Intensity
55.01826	4.3
55.05511	26.7
57.07061	21.5
57.94765	4.8
67.05507	21.3
68.99785	5.3
69.07063	55.1
69.43685	16.7
69.44115	25.7
70.02730	4.1
71.08610	9.4
73.44746	3.6
79.05495	10.0
81.07053	59.4
83.04955	5.8
83.08612	45.1
85.10172	7.4
89.06024	4.4
91.05503	4.5
93.07030	7.8
95.08604	51.9
97.10175	27.4
98.20773	8.9
99.04483	4.0
105.07018	13.3
107.08584	14.0
107.19859	4.7
109.06506	13.0
109.10126	23.8
111.04462	7.7
111.11739	13.6
113.05997	5.5
116.36416	3.7
117.07049	6.8
119.08615	8.2
121.06548	4.4
121.10155	10.0
123.11691	14.8
125.06059	10.6
125.13290	8.4
127.03935	9.1
133.10123	9.8
135.08090	4.3
135.11696	9.6
137.05968	100.0
137.13245	8.7
145.10132	9.5
147.11705	7.8
149.46039	3.7
151.03885	41.9
151.07555	8.9
151.14845	5.4
153.05446	6.0
157.10168	7.7
159.11691	10.9
159.70195	4.1
161.09612	6.4
161.13295	8.5
169.04971	33.5
169.10120	4.4
171.11690	6.2
173.09625	6.7
175.11174	7.1
181.04951	4.2
187.11195	9.3
193.12244	5.4
205.12267	4.5
207.13831	4.9
219.13788	4.3
221.11623	7.3
241.15744	5.4
243.02177	3.9
270.09619	4.2
275.20142	4.8
317.17838	8.1
363.08133	4.8
381.31375	6.6
383.32999	5.6
393.65979	4.6
399.32608	11.8
401.34256	6.1
409.30725	8.1
419.35150	11.1
427.32150	15.2
445.33096	23.3
463.34012	6.8
481.37430	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	481.3521
Annotation	Certonardosterol A2
Peak:m/z	Relative Intensity
55.01862	3.4
55.05505	24.9
55.63148	2.3
57.03423	2.2
57.07072	12.9
67.05486	12.3
69.07063	42.0
70.27568	5.8
70.27968	6.1
71.08621	8.9
71.77754	2.7
79.05488	5.6
81.07051	25.9
83.01383	2.4
83.04971	11.6
83.08614	28.4
85.10177	5.2
91.05437	2.8
93.07037	6.9
95.04969	3.6
95.08595	20.1
97.06558	3.1
97.10156	16.1
99.04467	7.1
100.71349	2.7
105.07019	5.8
107.04965	4.4
107.08594	5.2
109.06495	5.7
109.10138	14.0
111.04432	13.6
111.08080	2.5
111.11706	8.6
114.08967	2.4
121.10100	5.8
123.04427	4.2
123.11706	7.4
125.02345	10.5
125.05962	13.1
125.13292	5.2
127.03936	6.0
133.10072	3.4
135.04469	5.2
135.08006	3.9
135.11720	4.0
137.05965	11.3
137.13307	3.3
139.03900	8.4
145.10118	3.3
147.11627	3.7
149.05896	3.1
149.09604	2.8
149.13284	3.4
151.03865	5.1
151.07553	5.3
152.54665	2.6
153.05461	95.7
163.11113	2.9
167.07063	9.6
169.04889	6.8
175.11061	2.9
177.12743	3.5
181.04953	6.7
181.08607	9.0
187.06071	5.4
191.10742	3.0
191.79471	2.6
193.12320	2.7
195.10152	6.5
199.04146	4.8
199.06001	100.0
205.12224	3.6
209.11649	5.2
213.07466	6.5
219.13794	3.7
223.13205	3.7
227.09094	4.4
235.13168	2.9
237.14841	3.0
240.08635	3.5
241.10741	4.2
255.12308	13.1
263.16666	3.3
265.17978	3.8
267.12262	3.9
269.13812	4.6
279.19516	4.1
283.15295	6.2
297.16895	5.0
311.18552	6.1
322.39395	2.7
325.20087	17.3
337.19977	6.2
339.21686	4.9
351.21527	3.5
353.23114	7.1
381.26355	9.0
393.26419	3.3
407.27985	4.4
417.33667	6.2
445.32813	5.6
463.34140	80.9
464.34839	2.6
481.10782	3.1
481.35733	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	481.3523
Annotation	Certonardosterol A2
Peak:m/z	Relative Intensity
53.03938	2.3
55.01835	2.4
55.05512	19.9
57.07072	17.3
62.13897	2.1
65.03938	3.2
65.15201	2.3
67.05488	10.1
69.06715	3.3
69.07065	40.2
69.31033	3.8
69.31440	24.5
69.67650	2.2
71.08611	7.1
79.05473	5.9
81.07056	24.4
83.01331	4.0
83.08616	25.1
85.10167	4.5
91.05450	3.4
93.07039	8.2
95.04971	5.1
95.08601	19.9
97.10154	16.7
98.20687	5.5
99.00797	3.3
99.04434	8.3
105.07026	4.8
107.08588	5.7
107.19689	2.5
109.06477	3.5
109.10172	13.8
111.04445	5.7
111.11701	6.0
119.08557	3.6
121.10143	7.4
123.04465	3.0
123.11691	8.2
125.05986	4.5
125.13205	2.6
127.03873	5.9
133.10158	3.8
135.11659	4.7
137.05959	10.4
137.13258	4.3
139.03888	77.5
141.05373	2.3
147.11607	2.5
151.03857	7.0
151.07524	4.5
151.14792	2.7
153.05453	23.9
158.46654	2.7
165.09155	2.3
167.07025	6.2
169.04977	21.9
177.09111	3.7
179.10593	2.3
181.04936	100.0
187.06059	3.0
191.10649	4.8
205.12105	5.5
207.10165	3.3
221.11751	3.0
233.15427	3.0
242.50542	2.9
308.29456	5.0
309.29800	21.6
393.84772	3.2
399.32532	11.3
417.33667	4.9
427.32001	13.0
435.34979	3.7
445.33167	28.4
463.34100	13.3
481.28564	4.3
481.33344	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	481.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01863	0.6
55.05519	1.3
57.03445	0.2
57.07050	0.7
65.03895	0.2
67.01847	1.5
67.05499	2.6
69.03420	1.1
69.07070	2.3
70.06568	0.4
70.34113	1.1
71.04983	0.4
72.08141	0.5
79.05487	1.5
80.52271	0.2
81.03407	0.6
81.07053	6.8
82.07404	0.3
83.01315	0.3
83.04972	1.1
83.08610	1.3
85.02898	1.0
85.06553	1.8
91.05476	2.4
93.07038	9.0
95.04984	1.6
95.08608	4.9
97.02958	0.5
97.06509	0.8
97.10165	0.7
99.04453	0.5
99.08074	0.4
100.11264	0.4
105.07040	1.4
107.08593	1.9
109.02811	0.3
109.06497	1.0
109.10145	3.4
111.04429	0.9
111.08074	0.9
111.11646	0.3
117.07044	0.4
119.04858	0.3
119.08613	1.4
121.06503	2.9
121.10149	1.9
123.04394	0.5
123.08046	0.8
123.11700	1.1
125.02370	0.2
125.05967	0.4
125.09601	0.5
127.03903	0.8
129.07028	0.4
131.08559	0.6
133.10120	0.8
135.04355	0.3
135.08064	0.6
135.11702	1.4
137.05949	1.4
137.09592	0.6
137.13281	0.5
139.07539	4.7
143.08511	0.5
145.10088	0.5
147.04427	0.6
147.11685	0.8
149.05977	5.0
149.13251	1.0
151.07533	3.4
151.11186	0.3
151.14786	0.4
153.05453	0.9
155.06998	0.5
157.10094	0.4
159.11690	0.7
161.09679	0.3
161.13272	0.4
163.11211	0.5
163.14795	0.7
165.05476	0.5
165.09087	0.6
166.06287	1.7
167.07028	100.0
168.07332	1.2
171.06532	0.5
171.11665	0.3
173.09648	0.4
175.07495	0.3
175.11171	0.3
175.14824	0.3
177.09068	0.7
177.16447	0.5
181.08574	0.6
181.12169	0.4
182.15396	0.4
183.06609	0.3
184.16998	0.5
189.09076	0.7
191.10674	0.9
191.14339	0.3
193.08493	0.3
203.10699	0.4
205.12268	0.6
207.10159	0.7
209.11729	0.4
210.14893	0.5
212.16435	0.4
213.05482	0.5
235.13367	0.3
237.02896	0.4
265.82071	0.2
291.26682	0.6
309.28024	0.3
313.06686	0.3
325.07169	0.3
331.09586	0.4
337.20184	0.6
339.08658	0.4
349.10794	1.5
379.11874	0.4
409.31149	0.3
427.11942	0.3
427.32947	1.3
433.32901	0.3
438.33032	1.1
445.12726	0.5
445.33878	3.1
463.13672	0.3
463.34341	3.8
481.14700	1.0
481.20392	0.5
481.35513	1.3
482.19736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3521
Annotation	Brassinolide
Peak:m/z	Relative Intensity
53.03922	4.5
55.05505	33.7
57.07066	13.1
65.35486	4.8
67.05501	10.2
69.07062	31.0
71.08610	10.0
71.63213	5.7
79.05473	9.2
81.07032	20.3
83.04972	35.4
83.08605	24.2
89.06017	4.9
91.05437	4.3
93.07013	8.0
95.08596	23.4
97.10152	13.9
105.06966	4.8
107.08559	7.0
109.10160	8.3
111.04454	7.8
111.11673	8.2
123.11662	4.7
125.02342	5.0
125.05975	11.4
127.03876	8.3
129.76349	5.0
133.10100	5.6
137.05991	10.0
141.05479	8.8
153.05473	66.3
159.29485	4.3
159.85233	4.7
167.07005	7.1
169.04961	7.7
180.20026	4.7
181.04945	24.4
181.08604	6.5
199.06010	73.0
209.11668	5.4
221.11487	5.7
255.12177	8.7
269.13873	6.9
277.17978	5.2
305.82983	5.0
325.20139	10.5
337.20215	5.3
341.30359	7.5
353.23007	8.0
393.26199	6.4
463.34134	100.0
464.33704	4.8
481.35410	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01860	0.3
55.05492	0.8
56.05022	0.3
57.03434	0.5
58.06599	1.3
59.04994	0.2
61.02907	0.6
69.03416	2.4
70.06585	1.2
71.04971	0.6
71.60931	0.3
71.61284	0.3
71.66811	0.2
72.08145	1.7
73.02918	0.4
74.06057	0.3
78.71624	0.3
81.03407	1.2
81.04523	1.2
81.07047	0.4
83.04983	0.3
84.08134	1.4
85.02899	4.4
86.06008	0.2
86.09677	0.7
87.04450	0.4
91.05473	0.7
93.07048	0.7
94.06015	0.3
94.06558	3.6
95.04936	0.4
97.02858	1.6
98.09675	0.7
98.97592	0.3
99.04446	0.5
100.07570	0.3
101.06010	0.9
101.89591	0.2
107.04947	0.5
107.08566	0.2
108.04478	0.3
108.08064	0.5
109.02856	0.9
110.06023	0.6
110.07176	0.4
111.04484	0.4
111.08085	0.2
115.03948	0.2
117.06987	0.3
118.06528	0.4
119.04910	0.7
120.08091	0.4
121.02813	0.3
122.06037	1.1
123.00826	0.2
123.04411	0.7
124.07590	0.2
126.05573	0.4
127.03889	2.4
127.04985	0.8
128.10678	0.4
129.10283	0.2
130.06506	0.5
132.04410	0.3
133.06487	0.3
134.09633	1.1
136.07555	0.6
136.11156	0.2
137.02251	0.2
137.05937	0.5
138.05487	0.8
140.07074	0.5
145.04980	0.4
146.06021	1.9
146.11742	0.5
147.04381	2.3
148.07538	1.2
149.02304	0.2
149.08289	0.5
150.05548	0.3
150.09088	0.3
151.03908	0.5
152.07027	0.5
153.05455	0.3
156.10274	0.3
157.08942	0.3
158.05940	0.3
160.07574	0.7
161.05887	0.3
162.07843	0.6
162.09132	0.7
163.03925	0.3
166.08626	0.3
167.07088	0.6
168.06517	0.4
170.09671	0.5
172.11180	3.3
173.08189	0.3
174.09129	0.3
175.03862	0.3
177.05478	0.5
180.10204	0.3
182.09647	0.3
186.09097	0.7
192.13805	0.3
198.09099	1.1
198.11227	2.6
200.10681	26.2
201.11053	0.9
202.06017	0.2
202.12230	0.9
212.10698	0.4
214.12305	0.4
218.11662	0.4
228.12572	0.8
229.13278	0.2
231.14888	0.6
235.14392	0.4
242.08119	0.3
243.14903	18.5
244.15079	0.2
245.16400	0.6
253.03525	0.2
253.08138	0.8
257.16415	1.3
259.14456	0.4
260.09189	0.3
260.14890	0.6
273.07620	0.2
275.17465	0.3
283.10797	0.3
283.17975	1.9
289.11832	0.3
301.07208	0.5
301.11850	0.9
301.19064	3.8
319.20120	100.0
320.20425	3.7
321.07574	0.5
349.06845	0.4
422.20456	0.3
427.14890	0.3
436.71063	0.3
463.16962	0.7
481.11209	1.0
481.18741	1.7
481.25293	8.8
482.20068	0.3
482.26123	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	481.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
56.04994	2.8
59.48159	0.7
60.05615	1.3
69.03391	2.4
70.06551	2.9
71.61482	1.2
72.08148	5.5
74.14214	0.7
81.03394	0.7
83.06078	1.4
84.08123	0.9
84.82533	0.6
85.02846	3.0
91.05424	0.7
95.06030	1.6
97.02837	1.9
107.04916	1.8
108.04440	0.8
109.02847	0.7
110.02329	0.7
111.05563	5.8
113.07071	2.8
119.04900	1.6
120.04404	2.8
121.02851	1.4
123.05432	0.9
126.06578	1.5
127.03900	1.7
127.07411	1.1
128.78920	0.8
132.04443	8.1
134.05974	2.4
140.08096	1.7
147.04385	10.1
150.05469	3.5
151.06178	4.5
152.07027	1.0
153.05293	0.7
162.05487	0.8
167.07071	0.8
176.06985	1.1
187.08629	3.6
202.09717	2.4
203.08147	1.4
216.11290	0.9
218.11713	1.8
230.09195	3.0
231.07639	18.2
233.13928	6.5
234.12413	1.0
235.14412	0.9
242.09193	2.1
256.65646	0.8
257.10236	2.2
259.11899	21.9
259.14624	1.0
260.09964	0.9
277.12933	90.3
278.13184	1.9
284.11383	3.2
289.11884	0.8
299.10370	0.9
301.14020	2.7
302.12436	46.0
303.13010	0.9
317.11334	1.6
319.15109	100.0
320.15540	2.2
369.74396	0.7
392.15921	3.1
427.14981	0.8
463.17328	1.6
463.23376	2.6
481.20313	68.0
482.20322	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	481.1337
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
53.03936	1.4
55.01868	1.5
55.05491	2.6
57.03419	2.7
59.04957	0.7
61.02908	3.5
65.03932	0.9
67.05499	6.7
68.99789	2.4
69.03422	5.4
69.07059	1.4
70.06587	3.9
71.01333	1.0
71.04984	2.5
71.63300	1.3
72.08150	5.2
73.02897	1.3
77.59063	0.8
79.05492	1.8
81.03413	5.4
81.07039	3.4
83.04974	2.0
83.08607	1.3
84.04487	0.9
84.08126	3.8
85.02899	7.3
85.06531	1.8
86.09688	2.3
87.04459	1.7
91.05469	3.9
93.07032	3.3
95.04939	3.1
95.08593	3.3
97.01073	0.8
97.02895	6.7
97.06522	2.0
97.10138	1.4
99.04441	1.3
101.06012	0.7
103.05495	1.2
105.03387	0.8
105.07013	3.5
106.02885	1.0
107.04958	6.1
107.08587	2.0
109.02863	4.4
109.06505	1.9
109.10159	4.7
110.02420	1.7
110.07152	0.8
111.04434	2.7
113.03492	6.8
114.10252	1.0
117.07003	1.6
119.04942	5.4
119.08574	1.8
120.08067	1.1
121.02855	10.2
121.06474	2.0
121.10107	0.9
123.04412	16.1
123.08031	0.9
124.03960	1.0
124.07571	1.1
125.02357	1.2
125.05980	1.5
125.09657	1.6
127.02958	0.9
127.03909	18.8
131.08600	1.1
133.02829	11.9
133.06471	1.6
133.10117	2.2
135.04382	2.9
137.02364	0.9
137.05957	5.3
137.09607	0.9
138.05441	1.5
138.09172	1.7
139.03896	4.2
140.04726	2.1
141.05438	1.6
145.02908	1.4
145.05008	1.2
145.06529	1.2
147.04408	8.7
148.04813	1.6
149.02312	6.0
149.05945	4.9
149.09622	1.0
151.03885	25.8
151.07516	1.0
151.11160	1.0
152.07045	1.7
152.11411	1.0
153.01874	5.3
153.05457	24.4
155.03401	1.2
157.05002	0.9
157.06366	1.4
161.02354	0.9
161.05952	2.4
163.03897	4.4
163.07500	1.1
164.10690	2.1
165.05481	9.4
166.06216	1.0
167.03516	0.9
167.07002	2.2
169.09937	0.7
169.12149	1.0
173.05878	0.9
173.11780	1.9
175.03899	2.5
175.07494	0.8
177.05411	1.0
179.03381	17.9
181.04939	1.1
183.02899	0.8
187.03911	1.5
187.13268	1.3
189.05478	1.1
191.03358	0.8
192.10185	3.3
193.04956	3.5
195.02892	1.9
195.08101	0.8
197.11606	1.4
199.07446	0.9
201.05457	2.3
203.03374	8.7
209.04483	2.1
213.05554	3.0
213.08908	0.9
215.03401	1.7
217.04893	3.6
218.11696	0.9
221.04399	5.1
221.99861	0.8
229.04875	1.8
229.14214	2.8
231.02876	1.2
231.06451	1.2
233.04488	1.0
239.06607	2.5
241.04904	2.5
243.02776	0.9
245.08035	3.6
257.12836	1.3
258.05350	1.5
259.06052	1.5
269.04459	3.3
271.09824	0.9
273.07492	4.9
279.06497	1.8
283.09729	2.4
284.09113	1.5
285.03867	3.1
286.04672	9.7
291.08679	2.8
293.08084	1.2
295.05997	10.9
299.05322	1.1
300.05847	1.0
301.07065	35.9
301.11212	6.1
307.06110	5.8
308.06833	2.3
309.07544	2.8
317.08258	1.1
319.08115	100.0
319.12323	5.2
319.16354	2.4
320.07068	1.2
321.07547	20.0
322.08078	1.1
323.09457	1.0
325.07144	1.2
333.07571	5.2
335.05646	1.3
335.09198	3.3
337.07117	2.6
345.07584	1.7
347.09174	1.6
349.07004	22.0
351.08560	3.8
359.09296	1.6
361.06955	5.5
361.10620	0.8
363.08759	2.7
373.07089	3.5
374.07550	0.9
375.08737	2.0
377.06396	6.7
377.10397	0.8
379.08102	13.2
387.08636	3.2
389.10138	1.4
391.08200	5.4
393.09695	0.9
397.09137	18.1
399.08508	1.8
403.08072	1.5
407.07651	1.1
415.08151	2.3
417.09567	2.1
421.09164	1.2
427.08298	1.1
433.09213	4.5
435.10608	1.3
445.09192	6.0
445.15448	1.2
453.11066	0.9
463.10342	12.7
463.16357	1.7
481.11255	44.9
481.18054	3.1
481.26355	21.2
482.11441	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	479.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09306	0.8
65.42085	1.0
69.48189	0.9
71.46080	2.1
73.25896	1.0
75.18044	0.7
148.08549	0.8
167.54831	0.8
219.10741	0.8
224.35126	0.8
253.01570	0.9
332.63321	0.8
339.05200	0.9
367.81638	0.9
461.33914	3.5
479.34924	100.0
480.35303	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	480.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
53.03922	0.2
55.01863	0.5
55.05505	0.7
62.40681	0.2
65.03933	0.2
67.05495	0.3
69.03426	1.2
69.07039	0.3
69.60815	0.5
69.61227	1.2
70.06567	0.5
72.08150	1.2
73.02911	0.2
79.05480	0.6
81.03413	1.6
81.07034	0.9
82.07387	0.3
83.08614	0.2
84.08111	0.6
85.02905	1.8
85.06519	0.3
86.09695	1.1
87.00836	0.3
89.03902	0.2
91.05470	3.2
93.07021	0.6
95.04956	0.4
95.08584	0.5
96.08016	0.2
97.02879	1.0
97.06489	0.4
97.10136	0.2
98.21467	0.4
99.04449	0.5
103.03904	0.3
103.05425	0.2
105.01840	0.3
105.07015	0.4
107.04924	0.6
107.08564	0.6
109.02843	1.4
109.06529	0.4
109.10191	0.4
112.07574	1.2
119.04935	8.4
119.08560	0.4
121.10116	0.3
123.11575	0.3
127.03896	2.2
131.04868	0.3
131.08540	0.2
133.06413	0.2
133.10078	0.3
135.07957	0.2
136.07686	0.2
137.06030	0.3
138.05417	0.3
145.04948	0.3
145.10075	0.3
147.04398	100.0
148.04715	2.0
151.07559	0.4
163.03877	0.3
167.07010	0.7
171.04387	0.3
178.08644	0.3
187.05984	0.5
189.05487	0.5
201.05502	0.2
231.06516	0.6
232.13312	39.2
233.13594	0.9
268.14014	0.3
274.14163	0.2
356.15814	0.8
394.18655	0.6
395.09775	0.6
413.10764	1.2
436.19696	2.5
444.25793	0.3
462.17291	0.3
462.26746	1.2
464.98303	0.2
480.18616	17.5
480.27280	0.6
481.19183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19100	0.4
63.32187	0.4
70.44653	1.6
70.45012	0.9
139.97145	0.5
141.84076	0.5
157.02007	0.5
192.21294	0.4
241.33151	0.5
461.33737	2.2
479.34940	100.0
480.35168	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	479.3366
Annotation	Dolicholide
Peak:m/z	Relative Intensity
51.49667	1.0
53.03933	1.3
55.01870	4.2
55.05508	15.7
55.15918	0.9
57.07074	6.7
64.20963	1.0
65.00159	0.8
65.03934	1.2
67.05493	7.5
69.03432	0.9
69.07065	30.1
71.07249	3.2
71.08627	5.7
79.05485	6.7
81.03413	1.5
81.07053	18.3
83.04969	1.5
83.08613	18.7
85.10191	2.1
91.05490	2.7
93.07040	4.1
95.04957	3.4
95.08599	16.4
97.02901	4.6
97.10159	12.3
97.48372	0.9
99.04432	1.3
100.55917	0.9
105.03385	3.9
105.07037	4.4
107.04945	8.2
107.08613	4.1
108.67959	0.9
109.02879	7.6
109.10152	8.8
111.04411	1.8
111.08132	1.0
111.11733	6.0
115.03909	3.6
117.06979	1.2
119.04931	1.1
119.08595	3.0
121.02798	1.3
121.06476	2.1
121.10196	1.6
123.04455	4.0
123.08108	1.4
123.11710	4.2
125.02345	16.0
125.05979	2.0
125.13279	3.1
127.03879	1.2
131.08606	2.1
133.02864	3.6
135.04416	15.4
135.08051	1.1
135.11647	1.4
137.05980	2.6
137.13268	3.2
139.03889	4.0
145.10136	1.8
147.08035	2.9
147.11691	1.9
149.09586	1.2
151.03899	16.6
151.07582	1.4
151.14787	1.2
153.05458	5.4
161.02338	12.2
161.09621	3.1
161.13187	1.2
163.07645	1.9
165.05542	3.4
167.03398	3.5
167.07088	2.7
169.04994	1.9
175.07542	1.7
175.11176	2.2
177.09085	2.0
179.03375	13.1
179.07047	1.7
181.04993	2.1
185.04446	8.1
187.11147	1.3
189.09146	1.6
191.10683	1.5
193.04959	1.1
193.08603	1.5
197.04442	100.0
198.04736	1.4
203.10759	2.7
205.12282	1.3
207.10085	1.7
211.05952	7.3
215.05470	1.3
217.12170	1.3
219.10193	1.2
221.11884	1.2
225.07559	3.0
235.09557	1.6
238.06998	2.1
239.09157	5.0
253.10670	7.6
267.12238	4.8
279.12228	2.0
281.13843	3.0
293.13876	1.0
295.15384	3.1
307.15317	2.1
309.16959	5.1
321.16946	1.9
323.15326	1.1
323.18411	6.7
325.27347	3.8
335.18591	3.4
337.20041	4.5
349.20114	2.0
351.21683	3.1
363.21820	2.7
365.23199	2.4
377.23154	1.1
379.24777	3.2
391.24750	2.4
405.26331	2.0
415.32062	1.4
425.30569	2.0
443.31512	2.4
461.26129	2.3
461.32565	30.0
462.33093	1.7
479.33990	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	479.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.2
56.93117	0.5
57.03427	0.6
57.07069	2.4
60.43877	0.4
67.05495	9.9
69.03381	0.5
69.07063	12.6
69.47170	2.4
69.47603	2.0
69.57643	0.5
71.08630	0.7
79.05482	3.8
81.03374	0.8
81.07047	21.3
83.01333	0.9
83.08610	4.4
85.02905	0.9
85.06522	2.2
90.67895	0.4
91.05467	1.9
93.07030	3.1
95.01308	1.0
95.04971	1.2
95.08600	15.8
97.02855	0.6
97.10153	2.0
97.47478	0.5
99.00804	4.5
99.04440	2.3
105.07014	1.8
107.08581	1.8
109.02909	0.7
109.06496	1.2
109.10145	6.2
111.08111	0.5
113.02383	0.9
113.06005	0.6
117.01849	0.8
117.06998	0.9
119.04977	0.5
119.08572	1.6
121.06487	0.9
121.10146	1.0
123.04424	0.8
123.11678	2.9
125.05991	0.7
127.03901	0.8
127.07522	0.5
129.06975	0.7
131.08574	0.8
133.06464	1.4
133.10130	1.0
135.04413	1.6
135.08075	0.5
137.05942	1.6
137.13203	1.4
141.07047	0.5
143.08516	1.1
145.10088	1.7
147.11612	0.5
149.02362	0.6
149.05952	1.1
151.07567	1.6
153.05449	2.4
155.07008	1.1
157.06412	0.6
157.10075	0.7
159.11664	0.9
161.05939	0.9
161.09561	0.8
163.03882	1.6
163.07529	1.3
163.11217	0.6
165.05499	0.8
167.06995	2.7
170.15741	0.5
171.08014	1.3
173.68619	0.5
175.07539	1.8
177.05447	5.3
177.09109	1.3
177.12729	0.7
177.59059	0.6
181.04927	10.2
183.06528	4.0
187.11092	0.6
189.09087	12.5
191.07051	1.4
193.12254	0.6
195.04710	1.1
195.06509	20.3
203.10648	2.0
205.08575	0.8
207.06516	1.8
209.08066	11.1
209.09904	0.9
217.12280	0.9
221.08141	0.8
223.09618	13.9
235.09589	2.6
237.11195	19.1
238.11555	0.6
249.11198	13.1
251.12750	4.9
251.18097	0.7
263.12750	3.7
265.14301	1.9
277.14346	1.1
279.15988	1.2
291.15775	1.3
293.17480	1.4
305.17459	1.3
307.18954	2.1
318.08978	1.0
319.09283	0.5
319.19034	1.5
333.11316	0.7
333.20593	1.2
339.08478	0.8
346.08139	1.5
361.10565	4.0
361.23734	1.0
362.11191	0.6
364.09424	1.3
379.11743	8.2
379.24829	1.1
380.12106	1.2
443.31595	3.8
461.32602	100.0
462.32901	4.6
479.21182	5.3
479.33710	39.2
479.39081	0.6
479.40799	1.0
480.20587	0.6
480.33618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3364
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03928	0.7
55.01884	0.6
55.05503	7.8
57.03413	0.7
57.07062	2.0
62.29815	0.5
67.05500	6.9
69.03408	0.6
69.06716	0.8
69.07063	10.8
70.97714	1.1
71.08624	0.5
73.44800	0.4
79.05492	3.7
81.03411	1.0
81.07052	13.6
83.01346	1.1
83.04953	0.8
83.08601	3.9
85.02883	0.7
85.06550	0.7
87.72432	0.4
91.05466	2.2
93.07021	4.0
95.01324	1.3
95.04980	1.5
95.08041	0.9
95.08601	11.0
97.02892	1.0
97.06528	1.0
97.10165	2.2
99.00793	4.7
99.04434	2.8
105.06395	0.6
105.06996	2.9
107.04948	0.8
107.08591	2.7
109.02911	0.9
109.06535	1.0
109.10152	6.0
111.04464	0.6
111.08059	0.7
113.02367	0.9
117.01846	1.2
117.07024	1.2
119.08604	1.3
121.06494	0.9
121.10141	1.0
123.08071	0.6
123.11681	2.2
125.05968	0.7
127.03939	0.7
131.08609	1.0
133.06477	0.8
133.10127	1.2
135.04372	0.9
135.08040	1.4
135.11725	0.8
137.05984	2.5
137.13281	1.3
139.07553	0.9
140.77444	0.6
143.08533	0.7
145.10110	1.7
147.08031	0.6
147.11668	0.9
149.02347	0.6
149.05978	1.4
149.09648	0.7
151.07564	1.8
153.05380	2.3
157.10159	0.9
159.08128	0.4
159.11711	1.1
161.05943	1.7
161.09633	1.2
161.13330	0.5
163.03897	2.1
163.07562	1.8
165.05479	0.6
165.09091	0.9
167.07030	2.2
169.04893	0.5
171.08047	0.7
175.07510	3.4
175.11264	0.7
177.05461	4.2
177.09132	1.8
181.04921	8.7
181.06470	0.5
183.06517	4.5
187.11406	0.5
189.09094	10.0
191.07066	2.1
191.10727	0.9
193.12140	0.6
195.06509	18.7
196.06834	0.5
199.06151	0.6
203.10725	2.5
205.08549	0.8
205.12248	0.6
207.06544	2.5
207.10159	0.9
209.08055	10.4
221.08154	1.5
223.09639	9.5
235.09602	2.7
237.11198	9.7
249.11208	9.3
251.12714	2.5
263.12830	2.0
265.14349	1.4
277.14481	1.3
279.16040	0.6
289.14587	0.7
291.15988	1.5
293.17514	0.8
305.17508	1.1
307.18979	0.5
319.19098	0.8
325.07083	0.5
339.08557	0.7
399.32568	0.6
422.70450	0.5
443.31628	7.5
447.49454	0.5
461.32623	20.2
461.38977	1.1
462.33038	1.6
479.33679	100.0
480.34048	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	479.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05510	6.4
57.07077	1.8
67.05502	6.8
69.03442	0.4
69.06717	0.6
69.07069	10.6
79.05494	3.2
81.07052	15.4
83.01334	0.6
83.04984	0.7
83.08630	3.0
85.02908	0.6
85.06534	1.3
91.05476	1.6
93.07034	2.0
95.01312	1.1
95.08604	11.2
97.06525	0.5
97.10188	1.8
99.00808	4.7
99.04438	2.4
105.07012	1.8
107.08587	1.5
109.02894	0.6
109.06535	0.7
109.10149	5.4
111.11715	0.6
113.02346	0.8
114.69864	0.4
115.05418	0.4
117.01855	1.1
117.07041	0.7
117.44147	0.4
119.05009	0.4
119.08586	0.9
121.06524	0.4
121.10139	0.7
123.04488	0.6
123.11703	3.0
125.05967	0.6
131.03456	0.4
131.08574	0.5
133.06538	0.6
135.04425	0.7
135.08009	0.5
135.11671	0.8
137.05981	1.5
137.13214	1.2
139.07518	0.4
141.05457	0.4
145.10104	1.1
147.11676	0.5
149.05957	1.4
151.07555	1.4
153.05437	2.1
155.07051	0.6
159.11682	0.5
161.05991	1.0
161.09645	0.8
163.03918	1.6
163.07599	1.5
165.09138	0.8
167.07005	2.8
169.04967	0.4
171.08038	0.7
175.07542	2.3
177.05482	4.3
177.09079	0.8
179.10611	0.4
181.04967	7.6
183.06546	4.1
189.09081	9.4
189.10725	0.7
191.07025	1.2
191.10680	0.7
191.95229	0.5
195.06520	19.5
203.10655	2.0
205.08588	1.1
205.12163	0.6
207.06506	1.7
209.08072	9.2
215.10608	0.5
217.12141	0.5
219.10248	0.7
221.08098	1.2
223.09633	12.0
231.13823	0.5
235.09639	1.7
237.11186	11.2
249.11235	7.7
251.12788	3.6
263.12878	2.6
265.14301	1.7
277.14316	1.5
279.15912	1.0
291.15833	0.9
293.17365	1.3
305.17599	0.9
307.18890	2.5
319.18918	1.6
333.20593	0.7
339.08371	0.6
361.23795	0.5
375.25446	0.5
399.32663	0.4
443.31641	6.4
461.32608	100.0
462.32977	2.7
479.33777	17.7
480.34000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Isovitexirone
Peak:m/z	Relative Intensity
53.03952	12.9
55.01855	9.5
55.05502	27.6
57.03429	36.4
58.61606	4.8
60.33370	5.2
67.05500	96.2
69.03423	47.2
69.07067	38.5
70.14474	21.8
71.04980	9.3
72.08144	5.8
73.01017	5.4
79.05480	56.0
79.94822	4.4
81.03405	42.9
81.07047	100.0
83.04951	17.5
83.08612	17.2
85.02895	20.9
85.06516	9.9
85.44887	5.0
87.04471	8.3
91.05474	65.0
93.07028	78.9
95.04959	34.4
95.05453	5.6
95.08605	71.4
97.02888	23.2
97.06494	8.7
99.04440	16.0
103.03957	6.7
105.07015	67.8
107.04921	10.8
107.08548	37.3
109.02867	18.8
109.06490	13.0
109.10155	30.9
111.04424	12.4
111.08015	7.1
112.50111	4.5
115.05444	5.7
117.07005	14.5
119.08575	39.4
121.06498	13.1
121.10139	42.0
123.08048	8.6
123.11698	14.1
125.05988	8.3
127.03906	26.5
128.06235	7.5
129.07031	24.8
131.08531	40.5
133.10101	31.5
135.08034	10.0
135.11647	27.5
137.05951	13.7
137.09578	8.0
137.13246	7.8
139.07561	5.3
141.05429	5.1
141.06921	5.5
142.28343	6.0
143.08507	26.5
145.04926	10.4
145.06499	8.0
145.10155	36.8
147.11659	24.4
149.05980	7.6
149.09593	12.1
149.13268	9.4
151.07495	7.3
153.05389	8.7
155.08513	12.5
157.10085	16.7
159.08055	10.4
159.11694	33.5
161.09656	7.3
161.13301	11.9
167.07022	49.1
169.10088	7.0
171.08179	7.0
171.11716	15.9
173.09673	7.3
173.13243	15.3
175.11102	7.7
175.14828	7.6
181.04997	6.7
183.06506	7.6
183.11729	13.0
185.09593	5.5
185.13263	7.7
187.11073	6.4
187.14810	7.7
187.81764	4.9
189.09114	7.5
191.10587	6.3
193.12224	7.7
199.14827	9.1
201.07567	6.1
211.13101	6.1
217.08609	8.1
221.13405	5.7
225.12675	5.8
227.14365	5.7
227.17763	6.0
240.21944	5.3
257.46603	5.2
261.22107	5.8
303.23276	6.4
308.02322	5.6
315.23242	7.0
327.23322	6.4
335.25531	8.7
351.22845	10.0
369.24249	29.1
379.11734	11.2
387.25195	24.8
395.11349	6.4
405.26123	8.4
419.28018	7.2
443.27637	28.9
449.28894	9.3
461.28580	59.1
479.16873	16.2
479.29846	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2063
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
55.01822	0.3
55.05465	0.6
56.96529	0.5
57.03392	0.4
61.02882	0.5
67.05504	1.4
68.74597	0.2
69.03376	0.4
69.07028	0.5
69.65112	2.2
72.93714	0.2
79.05450	0.4
81.03371	0.6
81.07052	1.3
83.08609	0.4
85.02879	0.5
89.03892	0.6
91.05468	0.5
93.07007	0.6
95.04909	0.4
95.08539	1.1
98.97530	0.4
105.06991	0.5
106.04098	0.3
107.08546	0.6
109.10101	0.3
116.98571	0.4
117.03309	0.6
117.07021	0.4
121.10056	0.3
128.67947	0.3
129.06953	0.3
134.03622	5.2
135.07977	0.3
137.05904	0.4
151.03844	0.4
156.05626	0.4
170.36813	0.3
171.04422	0.6
177.00630	0.3
185.05936	0.9
189.00583	0.3
189.05443	2.3
202.06097	0.6
202.07770	0.5
212.04729	0.6
213.05499	1.6
215.03271	0.4
217.10039	0.8
219.07974	0.8
230.05684	1.0
231.06490	0.9
233.09549	0.4
239.07137	0.3
245.09570	2.6
247.07550	1.7
261.09076	1.7
262.09946	1.3
265.04977	0.4
265.08664	0.3
267.09030	0.7
272.08197	0.5
273.09109	1.8
275.06992	1.7
276.07861	0.4
279.06448	0.3
279.10034	0.5
285.09940	1.6
287.10287	0.4
289.08591	2.9
290.09357	2.9
291.10043	0.3
292.07309	0.4
293.07977	1.0
294.08636	0.3
300.07794	0.5
301.08499	2.9
302.09247	0.3
303.06393	0.8
305.08206	0.5
305.11533	0.8
307.09689	1.3
308.10257	0.4
309.07382	0.4
310.04706	6.3
313.61923	0.3
317.07922	1.4
317.12735	0.5
317.17953	0.4
318.08838	6.3
319.09525	0.8
321.07446	1.1
322.04666	1.8
322.08319	1.3
324.11459	0.5
325.07031	8.6
328.07498	0.4
329.08096	2.8
330.08667	0.4
333.11197	9.2
335.09021	0.8
336.06366	0.5
336.09879	1.3
337.07550	1.9
337.10370	2.0
340.12683	0.4
345.07626	2.7
346.08337	16.2
347.08911	1.0
349.06885	0.8
349.15948	1.0
349.65991	0.4
350.07587	0.4
351.08502	0.4
361.10660	44.7
362.10989	1.1
363.08655	1.2
364.09375	16.4
365.09717	0.6
367.11652	2.7
379.11728	100.0
380.12125	2.7
454.22195	1.5
454.72345	0.4
471.05814	0.3
479.20630	74.3
480.20804	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	479.1905
Annotation	Dichotosinin
Peak:m/z	Relative Intensity
53.03938	2.4
55.01866	3.1
55.05510	7.9
57.03432	2.5
59.23678	1.2
61.02915	1.3
65.02890	1.1
65.03946	1.4
67.05501	12.0
68.99778	1.7
69.03432	10.0
69.07069	7.1
70.06579	2.6
71.04979	3.4
71.62838	1.8
72.08154	8.7
79.05492	13.5
79.07229	1.1
81.03414	13.1
81.07050	20.7
83.04970	3.9
83.08618	2.2
85.02897	12.0
85.06543	6.2
86.00790	1.0
87.19001	1.3
89.10790	1.7
91.05466	18.6
92.93929	1.2
93.07042	17.4
95.04945	9.0
95.08598	11.8
97.02890	7.7
97.06538	6.7
97.10172	2.5
98.06041	3.2
98.85895	1.1
99.04451	2.9
103.05475	4.8
105.07022	20.7
105.07667	1.6
107.04938	4.3
107.08589	11.1
109.02891	4.7
109.06519	3.4
109.10147	9.0
111.04433	2.4
111.08054	1.9
115.05450	2.6
115.08728	1.9
117.07021	4.9
119.04946	4.4
119.08577	9.8
121.02879	2.0
121.06509	6.5
121.10141	10.5
123.04422	74.4
123.08056	4.7
123.11690	2.6
124.04744	6.7
127.03918	7.5
128.06241	1.8
129.06987	2.8
131.04912	2.5
131.08569	4.4
133.02754	1.3
133.06465	3.2
133.10121	7.0
135.04436	2.9
135.08044	5.4
135.11710	3.9
136.05214	1.5
137.05984	7.5
137.09581	3.8
139.07544	1.8
139.46996	1.2
143.08585	2.6
145.06493	4.6
145.10136	4.4
147.04404	18.9
147.08034	3.4
147.11708	4.6
148.08400	1.3
149.05954	20.2
149.09570	7.0
149.13258	3.6
151.03893	1.8
151.07544	12.8
151.58038	1.4
153.05444	3.8
157.06387	1.7
157.10159	1.3
159.04433	3.9
159.08041	2.3
159.11772	1.5
160.05209	1.5
161.02304	2.4
161.05943	8.0
161.09622	6.2
162.06749	6.4
163.03917	11.3
163.07527	52.2
163.11140	2.8
164.07977	9.1
165.05519	8.4
165.09134	5.0
165.12737	1.7
167.07033	20.5
173.02339	5.5
173.05969	6.1
174.06790	5.2
175.03833	2.4
175.07495	4.4
175.11166	2.6
176.07994	2.2
177.09096	74.9
178.09348	1.4
181.08591	38.9
181.10199	2.2
182.08920	3.7
185.05870	1.9
185.09659	1.2
187.03940	3.7
189.05450	6.1
189.09085	15.5
189.16290	1.6
191.06979	1.4
191.10660	3.5
191.14439	1.5
193.12311	1.4
195.10223	1.6
197.06145	1.4
199.03896	4.0
201.05519	1.6
205.12268	1.8
207.10057	2.4
211.07684	1.4
213.05534	6.5
215.07047	2.4
227.07141	1.7
237.12979	1.6
267.13757	9.3
283.13358	1.7
285.11264	9.1
286.11530	25.3
293.11688	2.7
299.12766	100.0
300.13190	2.0
311.12772	7.5
311.15997	1.8
316.12888	6.3
317.13708	33.2
323.12726	15.0
329.13834	1.4
341.13821	12.1
355.15369	25.2
365.13794	9.2
373.16318	4.1
383.14639	1.7
425.15805	4.6
425.26553	1.9
443.17102	5.7
443.26566	2.3
461.18066	6.6
461.26443	35.7
479.19492	3.4
479.27405	20.6
479.33926	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	479.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05503	1.4
55.37084	0.4
57.03431	0.5
57.07071	0.5
61.74094	0.3
67.05500	1.9
69.03421	1.7
69.07056	2.0
70.06579	2.3
70.23068	1.3
70.60757	0.4
71.04980	1.0
72.08151	3.0
79.05487	1.5
81.03402	1.1
81.07048	4.0
83.04987	1.3
84.08129	1.0
85.02902	1.5
85.06532	1.3
86.09697	0.7
88.31319	0.4
91.05482	2.7
93.07029	2.8
95.04959	1.1
95.08595	4.3
97.02880	1.5
97.06496	2.8
99.04440	0.6
99.08070	0.6
105.07029	2.7
107.04943	0.7
107.08584	3.4
109.02876	1.3
109.06527	1.2
109.10161	2.7
109.68001	0.3
111.08077	0.6
115.05467	0.5
116.98650	0.4
119.05019	0.5
119.08563	1.7
121.02900	0.5
121.10144	2.1
123.04428	1.0
123.08038	1.0
123.11715	1.0
125.05985	1.1
125.09608	1.1
127.03906	1.6
131.08574	0.6
133.06439	0.4
133.10129	1.6
135.04416	0.6
135.08051	1.1
135.11700	1.4
137.05963	1.9
137.09605	1.2
137.13206	0.4
138.05487	0.4
139.11290	0.5
143.08540	0.7
145.10139	1.3
146.05919	0.4
147.04398	2.2
147.11702	0.7
149.05937	0.5
149.09634	0.8
149.13264	0.7
151.07527	2.9
151.11185	0.4
152.07944	0.7
153.01761	0.5
153.05463	0.5
159.11661	0.8
161.05956	0.6
161.09650	0.9
163.07497	0.4
163.11163	0.9
165.05464	0.4
165.09154	0.7
167.07042	1.7
171.11707	0.4
173.13258	0.6
175.07491	0.5
175.14778	0.5
177.05496	0.8
177.16400	0.6
179.10670	0.5
181.08585	0.5
189.09134	0.5
191.10693	1.0
191.14433	0.4
193.08662	0.5
193.65709	0.4
194.94766	0.4
195.08269	0.4
196.14182	0.5
211.13354	0.4
213.14803	0.8
213.18469	0.6
214.01335	0.4
214.15237	1.0
215.10811	0.6
216.95575	0.4
227.05327	0.5
229.19563	0.4
231.13564	4.8
245.06136	0.9
267.02884	0.4
271.04053	2.1
285.14645	0.5
289.05273	3.1
311.12927	0.7
317.06479	1.4
325.07080	1.8
355.15213	0.9
368.81482	0.4
375.17822	0.7
393.18805	6.0
395.11282	0.6
407.25119	0.7
417.19171	0.7
420.13708	0.4
435.19833	24.7
443.26550	0.8
443.32330	0.5
461.16531	0.7
461.26126	2.9
479.18863	100.0
480.18994	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	479.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62235	6.4
94.93038	9.1
119.03394	5.2
136.94029	68.8
141.89256	4.7
148.94048	15.5
166.95084	38.7
172.95201	6.8
173.82578	5.3
196.96143	8.5
214.96233	6.9
214.99988	5.9
256.98163	16.4
317.00095	6.6
370.61459	5.3
381.07962	100.0
419.03479	77.0
479.16400	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	478.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70493	1.0
52.14696	0.9
53.86571	1.2
55.05509	11.5
55.33739	1.0
57.03426	1.9
62.05777	1.5
62.06082	24.7
67.05165	1.8
67.05501	21.9
69.07063	12.2
71.35891	2.0
79.05486	7.6
81.07051	22.5
83.08612	3.8
91.05482	3.0
93.07046	7.0
95.08594	17.2
97.10110	2.4
98.06045	6.7
98.98450	6.2
105.07019	2.3
106.36958	1.0
107.08566	3.1
109.10129	4.9
112.07552	1.5
114.45201	0.9
119.08572	3.0
120.82839	1.1
121.10124	2.4
123.11710	1.9
131.08511	1.3
133.10109	1.4
135.11705	1.0
149.13232	1.5
155.01045	3.6
163.14806	1.3
173.02045	1.9
216.06253	3.2
236.46451	1.1
245.22696	1.9
263.23654	4.9
306.27887	100.0
307.28113	2.0
337.27338	75.8
337.92471	1.1
338.27643	2.0
390.13361	1.0
417.23538	1.1
460.28140	3.9
478.29095	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	477.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63626	3.6
69.64037	4.1
73.85612	1.1
81.07058	1.2
373.01901	1.3
447.28558	2.1
465.41034	1.1
477.33347	100.0
478.33881	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	478.2924
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03948	0.6
55.01866	0.6
55.05507	10.1
57.03434	7.3
57.07069	1.8
62.06076	0.8
65.03924	0.8
67.05497	24.2
69.07062	16.1
70.22486	1.0
71.04963	0.7
71.08619	0.8
79.05058	0.5
79.05486	6.3
81.03381	0.3
81.07049	24.9
83.04971	0.8
83.08611	8.3
85.05274	0.3
85.06544	0.6
91.05473	4.6
93.07037	6.3
95.04987	0.7
95.08595	18.0
97.06511	1.4
97.10166	3.3
98.06050	1.0
98.21421	0.3
98.98441	0.7
99.08073	0.5
105.07021	3.6
107.08585	4.0
109.06497	0.5
109.09444	0.5
109.10146	7.1
111.08038	0.8
111.11716	0.6
119.08569	2.8
121.10139	3.4
123.08040	0.5
123.11691	3.2
124.01543	0.4
125.09634	0.4
133.10132	2.8
135.11676	1.9
137.09659	0.5
137.13249	1.1
146.01828	0.3
147.11627	1.4
149.13249	0.6
151.11192	0.3
153.28503	0.3
161.13240	1.0
163.14833	0.9
165.16385	0.3
175.14749	0.8
191.10281	0.3
198.05177	0.3
203.17757	0.3
216.06313	0.7
245.22559	0.4
263.23682	0.9
306.27869	11.4
337.27328	100.0
338.27689	2.4
432.35651	0.4
432.85425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05506	9.5
57.07060	1.7
61.34705	1.4
66.05411	1.7
67.05495	16.7
67.17365	1.4
69.07069	14.4
70.31039	5.6
78.34488	1.5
79.05478	6.2
81.07053	28.1
83.08611	5.9
85.06554	1.5
91.05485	8.2
93.07036	16.0
95.04959	1.4
95.08600	20.6
95.92901	1.4
97.06522	2.2
97.10156	6.6
105.07030	6.9
107.08580	10.0
109.06524	3.6
109.10136	12.7
111.11691	3.3
117.06989	1.9
119.08562	8.1
120.23176	1.4
121.06493	3.1
121.10173	8.2
123.04410	1.4
123.08047	3.0
123.11708	5.9
124.93773	2.1
125.09637	1.8
126.93695	1.4
131.08557	3.3
133.10121	5.1
135.07996	2.0
135.11696	6.2
137.05978	7.5
137.13284	2.4
139.03894	2.0
139.07539	4.1
141.05431	6.8
145.06554	1.7
145.10123	3.5
147.08055	2.0
147.11691	5.6
149.05966	6.3
149.09630	2.4
149.13203	3.3
151.07512	11.0
151.11134	2.0
159.08099	1.6
159.11665	4.0
161.05984	1.9
161.09564	1.7
161.13275	1.7
163.07535	2.5
165.00670	1.3
165.05464	8.9
165.09108	3.5
167.07034	100.0
168.07443	1.8
173.09563	1.6
173.13226	1.6
175.07539	4.6
177.09088	3.2
179.07037	2.8
179.14493	1.3
181.04947	1.3
181.08551	3.6
183.71909	1.2
189.09129	5.6
191.07007	4.0
191.10684	1.9
193.08582	5.1
201.09111	2.8
201.16362	1.6
203.10629	2.9
205.08614	8.9
205.12302	2.9
207.10130	8.0
215.10709	5.6
217.12163	1.6
219.10167	5.5
221.11601	2.8
229.12158	2.6
233.11699	4.5
245.11630	1.8
247.13190	2.3
275.23669	1.6
332.17999	1.7
395.29358	3.5
413.30643	7.8
423.28937	8.9
441.30026	19.3
459.31213	8.7
477.19595	4.9
477.28241	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	477.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01840	1.1
55.05298	1.2
55.05508	13.1
56.96564	1.2
57.03425	1.0
57.07063	2.9
61.17978	1.0
65.03922	1.1
67.05499	16.0
69.03423	1.7
69.07061	16.6
69.68748	2.4
69.69181	5.8
71.04984	2.1
71.08625	1.6
79.05486	5.7
81.07051	25.8
83.04955	2.6
83.08607	9.0
85.02898	1.7
89.05984	1.7
90.98985	1.2
91.05460	7.0
93.07038	19.6
95.04944	4.0
95.08597	29.7
97.06514	2.2
97.10148	7.3
99.08096	1.0
103.05495	1.2
105.07023	13.7
107.08585	12.0
109.06496	3.1
109.10139	16.0
111.08080	2.9
111.11701	3.5
117.07005	2.7
119.04910	1.6
119.08586	9.2
121.06487	4.0
121.10128	10.4
122.14239	1.1
123.04407	3.0
123.08055	2.4
123.11697	11.5
125.09577	2.0
129.06906	1.3
131.08585	3.3
133.10118	7.2
135.08031	4.2
135.11674	5.1
137.05937	7.7
137.09618	1.3
137.13222	4.5
138.06770	1.3
139.07532	3.7
139.11168	2.0
141.05455	10.1
143.08528	1.3
145.06491	1.2
145.10106	4.1
146.99632	1.0
147.08078	2.1
147.11662	5.0
149.05983	4.9
149.09616	1.4
149.13222	4.7
151.07552	17.1
151.11180	1.2
153.12668	1.4
159.07979	2.3
159.11710	4.5
161.05969	3.5
161.09579	1.7
161.13234	3.6
163.07541	2.6
163.14842	2.3
165.05457	7.4
165.09109	4.5
167.07028	100.0
173.09576	2.1
173.13255	2.0
175.07509	4.5
175.14810	2.1
177.09094	2.5
177.16446	1.2
179.07005	3.5
179.10573	2.0
181.08510	6.4
185.75211	1.1
187.11162	1.5
189.09100	6.3
189.16364	1.3
191.07002	5.4
191.10707	3.1
191.17941	1.2
192.07838	1.3
193.08582	5.1
199.14815	1.3
201.09099	2.3
203.10658	3.9
203.17952	3.0
205.08627	11.5
205.12190	4.2
207.10184	13.1
215.10718	6.0
219.10159	3.8
219.13754	1.5
221.11699	6.2
229.12308	2.7
231.10152	1.3
233.11765	6.5
235.13306	1.3
247.13304	3.5
261.14929	1.4
269.15482	1.5
275.23770	1.4
279.23187	1.6
293.24680	1.7
305.24875	2.3
317.17792	2.3
331.22562	1.7
359.22214	2.8
373.19992	2.6
389.13608	2.0
395.29529	3.2
413.30453	4.8
423.28864	7.8
441.29868	24.2
459.30869	4.3
477.27927	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	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01869	12.3
55.05262	3.3
55.05510	54.6
57.03441	13.4
57.07056	4.0
59.04994	3.0
61.02925	3.2
67.01842	3.7
67.05170	4.0
67.05499	63.3
69.03426	15.8
69.07064	33.5
70.09937	13.7
71.04971	8.9
72.08132	2.3
73.02911	2.5
79.05488	51.9
81.03409	56.9
81.07047	74.4
83.04948	14.3
83.08609	34.0
85.02887	9.3
85.06537	12.7
91.03056	2.1
91.05472	48.9
93.07037	53.8
95.04959	30.6
95.08598	43.2
96.41113	2.1
97.02895	3.8
97.06500	10.5
97.10166	39.8
99.00799	2.4
99.04454	3.7
99.08067	4.3
105.07024	42.6
107.04948	28.0
107.08582	39.9
109.02846	4.1
109.06505	11.7
109.10148	26.7
111.04446	3.7
111.08071	10.7
111.11697	2.6
112.63153	2.2
115.05433	6.1
116.70339	3.0
117.07021	17.6
117.66727	2.3
118.06043	2.2
119.04947	2.3
119.08576	30.5
121.06493	29.6
121.10128	19.5
123.04428	5.9
123.08038	6.0
123.11701	9.0
125.09605	32.2
127.03889	5.9
129.06979	17.5
131.04901	7.0
131.08560	25.3
133.06488	12.8
133.10103	18.9
135.08017	9.3
135.11690	9.4
136.00462	2.8
137.05965	9.5
137.09616	5.6
137.13197	5.6
139.03830	2.3
139.07535	7.9
139.11098	3.1
141.07024	6.0
143.08539	13.2
145.06439	16.6
145.10129	14.7
147.04414	7.3
147.08043	5.9
147.11676	18.1
149.06001	9.5
149.09615	5.9
149.13281	5.4
151.07542	9.2
153.05447	4.7
153.09079	8.2
153.12750	2.9
155.08514	5.3
157.10124	15.4
159.08041	8.0
159.11661	6.6
161.05980	3.5
161.09579	5.6
161.13228	3.9
163.03958	2.8
163.07532	4.8
163.11157	7.0
165.05476	3.8
165.09102	17.4
165.12788	3.2
167.07031	100.0
167.08403	3.8
169.10060	5.7
170.07349	2.6
171.07997	7.7
171.11682	6.3
173.09642	4.6
173.13220	5.8
175.11105	11.4
177.05292	2.3
177.09094	3.1
177.12773	3.2
181.04971	6.9
181.10135	3.3
181.12144	3.6
183.11745	3.2
185.09621	4.6
187.07512	2.4
187.11121	4.4
187.14847	3.2
189.09189	5.0
189.11197	18.8
189.12730	5.3
191.06987	2.9
191.10602	4.0
193.12225	23.2
195.06514	10.0
195.11635	3.7
197.13188	4.8
199.11169	3.9
201.12679	3.2
203.14221	3.5
205.12279	5.2
207.10066	4.6
209.07947	5.7
209.13358	2.5
211.13277	7.5
213.12793	3.4
215.14258	8.2
217.08470	3.2
217.12227	4.1
223.09576	6.4
225.12744	3.5
227.12602	19.1
231.13824	6.9
233.15352	18.9
239.14272	3.2
249.11205	2.9
249.14725	4.4
257.15198	3.6
259.13242	3.0
263.16089	2.5
267.15869	38.6
269.15250	2.8
273.14917	14.2
285.13776	3.1
287.16150	3.3
291.15985	3.4
293.17477	3.0
319.18863	3.1
325.07104	4.0
339.23212	9.3
341.21152	3.9
343.19119	2.7
349.21570	10.7
357.24115	8.9
361.10580	5.8
367.22623	35.0
379.11673	8.1
385.23663	78.0
386.24008	2.9
393.13226	6.9
403.24857	20.3
433.25812	8.3
441.25607	5.8
441.30365	6.6
459.26965	78.1
477.18869	27.5
477.27979	40.2
477.32367	36.8
478.09531	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	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.0
53.79173	2.1
55.01870	11.9
55.05506	54.7
57.03436	12.4
59.04969	2.0
59.36047	1.7
59.99829	1.6
60.39335	1.8
65.03916	3.4
67.05495	58.5
69.03417	10.2
69.06773	1.7
69.07058	17.8
69.64079	5.2
69.64502	10.4
71.04971	4.0
79.05480	62.2
81.02980	2.9
81.03411	44.8
81.07047	55.0
82.07381	3.1
83.04971	14.7
83.08607	35.6
85.02850	3.7
85.06524	9.8
89.17392	2.0
91.04895	2.3
91.05466	44.2
93.07042	38.7
95.04953	34.0
95.08047	2.6
95.08598	31.0
97.02886	4.6
97.06490	7.2
97.10157	51.7
99.08060	3.0
102.09082	2.2
103.05438	3.0
105.04497	2.6
105.07011	34.3
107.04944	36.8
107.08584	35.0
109.02814	3.4
109.06519	12.6
109.10118	17.1
111.04401	4.2
111.08048	6.0
113.05979	3.1
115.05413	4.2
117.07028	19.5
119.04880	5.1
119.08569	23.8
121.06491	33.5
121.10127	15.5
123.04401	6.2
123.08010	13.1
123.11671	6.0
125.05950	2.9
125.09619	35.0
127.03902	4.0
128.06128	2.7
129.06993	17.2
131.04866	5.4
131.08549	23.0
133.06482	12.7
133.10123	13.9
135.04413	4.3
135.08049	15.6
135.11652	7.2
137.05917	5.7
137.09554	3.8
137.13261	2.3
138.66864	2.1
141.06952	3.9
143.08542	11.0
145.06468	22.8
145.10089	15.4
147.04361	5.7
147.08061	11.9
147.11673	13.6
149.05968	4.8
149.09581	7.4
149.13245	4.1
151.07484	9.1
153.05460	2.9
153.09077	10.4
155.08485	7.1
157.06473	6.7
157.10100	11.1
159.07991	8.2
159.11665	8.4
161.05925	5.2
161.09590	5.3
161.13176	2.8
163.11140	7.9
165.09061	3.2
165.12691	3.2
167.07036	53.8
167.08395	3.4
168.07330	2.7
169.10103	4.2
171.08022	6.7
171.10269	2.8
171.11674	6.6
173.09570	5.2
173.11763	2.8
173.13173	3.2
175.11105	10.8
177.09053	2.7
177.12735	3.7
181.10078	4.7
183.07982	3.6
183.11667	5.1
185.09517	3.6
185.13199	4.3
187.11203	6.7
187.14867	2.8
189.09169	4.0
189.11159	21.6
189.12743	5.2
191.10620	4.5
193.12224	23.4
195.11620	4.2
197.09503	2.6
197.13213	3.6
199.07314	2.2
199.11111	4.8
205.12148	6.2
209.13248	3.4
211.11313	3.1
211.13260	7.4
213.12689	4.3
215.14273	5.1
217.12148	3.6
219.13673	3.9
227.12648	18.3
227.14392	2.4
231.13724	4.0
233.15358	18.5
235.13107	2.5
237.12773	3.8
241.14285	4.1
245.15381	4.9
249.14758	2.7
255.13748	3.9
267.15894	32.0
269.15042	2.5
273.14764	15.3
287.16461	4.6
291.15891	4.8
315.08569	2.2
322.04453	2.9
337.07043	10.5
338.07468	3.2
339.23160	11.2
341.20935	5.3
349.21594	15.0
357.24078	8.1
367.22601	58.1
375.24982	2.6
385.23679	89.7
386.24078	2.7
403.24664	30.5
405.24176	3.3
415.24435	2.7
423.25177	3.1
433.25610	14.8
441.26236	8.2
459.27213	100.0
460.27475	4.1
477.18329	3.1
477.28259	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1905
Annotation	Garcinisidone D
Peak:m/z	Relative Intensity
52.29040	0.8
55.05487	1.7
57.07069	1.2
57.52627	0.7
67.05489	1.5
69.07054	2.6
69.55387	4.9
69.55801	1.4
79.05492	1.0
81.07047	2.7
83.08613	0.7
85.02843	0.7
85.06538	57.8
91.05472	2.3
93.07029	1.7
95.04963	1.4
95.08594	2.1
97.10219	0.8
105.07034	0.8
107.08598	1.4
109.10144	1.1
121.10148	1.0
131.08516	0.9
153.05461	0.9
165.05498	0.7
167.07074	0.9
190.61008	0.8
213.05429	0.7
232.43062	0.7
262.10059	0.8
289.08670	1.0
290.09232	0.9
301.08578	1.1
307.09677	0.9
310.04703	1.8
318.08887	1.2
323.09067	1.1
324.06320	1.9
325.07156	2.5
333.11148	1.5
336.06039	1.2
337.07037	0.9
339.08551	3.7
346.08337	3.0
349.07062	1.0
349.15924	1.8
351.08582	1.8
358.67892	0.8
360.09872	2.4
361.10760	8.2
363.08490	3.0
364.09387	4.0
365.10208	1.0
367.11700	1.6
375.12320	5.6
378.11078	5.6
379.11746	13.4
393.13290	54.0
431.31638	0.9
444.15543	0.9
449.32816	1.5
459.18253	2.0
477.19064	100.0
478.19452	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	477.139
Annotation	Onogenin 7-O-glucoside
Peak:m/z	Relative Intensity
53.03915	0.7
55.01862	0.5
55.05473	1.0
57.03398	0.5
57.07038	0.3
58.30372	0.3
61.02896	0.6
65.03889	0.5
67.05501	2.1
69.03425	1.8
69.07024	1.2
70.06551	1.3
71.04961	0.5
71.62608	0.4
71.63011	0.3
72.08154	2.9
79.05486	1.9
81.03410	4.8
81.07045	3.3
83.04939	0.6
83.08577	0.4
84.08092	0.7
85.02901	2.5
85.06536	2.2
86.09666	0.8
89.10759	0.6
91.05472	2.1
93.07032	2.6
95.04926	1.0
95.08601	2.8
97.02875	1.4
97.06489	1.3
97.10161	0.5
98.06025	0.7
98.09663	0.3
99.04412	0.4
99.08058	0.5
105.03366	0.4
105.07040	1.8
107.04929	0.9
107.08593	2.1
109.02866	0.6
109.06479	0.9
109.10149	1.7
110.07147	0.3
110.09623	0.3
111.04385	0.5
115.08690	0.4
117.85721	0.3
119.04939	2.2
119.08555	1.5
120.08079	0.3
121.02863	5.5
121.06465	0.7
121.10096	1.2
123.04391	0.7
123.08006	0.7
123.11662	0.6
125.05960	0.4
125.09590	1.2
127.03854	1.2
131.04919	0.5
131.08484	0.5
133.10126	1.4
135.04340	0.5
135.08031	0.5
135.11626	1.0
137.05922	1.0
137.09581	0.7
139.03915	1.4
139.07516	0.5
139.11105	0.3
141.05367	0.3
141.06996	0.3
143.08493	0.4
143.10660	0.3
145.02872	0.3
145.04926	0.4
145.10098	0.8
147.04398	2.6
147.08090	0.3
147.11656	0.7
148.04800	0.3
149.02315	1.3
149.05936	0.6
149.09586	0.4
149.13232	0.6
151.07529	5.6
151.11131	0.3
153.01785	0.4
153.05426	0.6
153.06915	0.5
155.08498	1.1
158.38292	0.3
161.05943	0.6
163.03908	1.5
163.07471	0.7
163.11096	0.5
165.05618	0.4
165.06967	1.7
165.09096	0.8
165.12653	0.4
167.03368	1.0
167.07047	4.5
169.06329	0.3
173.02380	0.3
173.05887	0.3
173.13217	0.3
175.14784	1.1
176.15118	0.8
177.05502	0.6
177.09094	0.5
179.10747	0.4
181.04996	0.4
181.06610	0.4
181.08525	0.4
181.12202	1.3
183.07988	2.1
183.69521	0.3
187.11038	0.4
189.09052	0.4
191.10677	1.4
191.14284	0.5
193.06470	0.3
193.15855	0.3
195.02863	0.8
195.08017	0.6
197.06033	0.4
198.06651	0.5
205.12201	0.7
207.10339	0.4
211.07538	3.4
211.16905	0.7
213.09087	0.5
215.07005	0.5
221.06052	0.4
239.06999	4.2
241.08730	0.3
254.05678	1.0
255.06558	0.4
267.06500	49.2
268.06894	0.8
269.08008	0.4
279.23209	0.4
282.05261	2.0
297.07547	100.0
298.07806	1.5
309.07425	1.0
314.13971	0.3
315.05179	0.4
315.08636	1.5
315.12146	0.4
315.12994	0.5
321.07233	0.3
339.08667	0.8
343.15369	1.1
427.25583	0.4
441.30185	0.4
445.26486	0.3
459.12839	91.4
460.13303	1.7
476.46960	0.3
477.08762	0.4
477.19104	5.1
477.25967	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	477.1392
Annotation	Onogenin 7-O-glucoside
Peak:m/z	Relative Intensity
53.03923	0.9
55.01845	0.6
55.05479	1.4
57.03416	0.5
57.98627	0.4
58.61211	0.3
65.03918	0.8
67.05489	2.3
68.76025	0.4
69.03421	1.8
69.07074	1.8
70.06561	1.1
71.04956	1.0
71.63138	0.6
72.08158	3.2
73.02880	0.4
79.05496	2.3
81.03416	4.2
81.07043	3.5
83.04947	0.9
84.08125	0.5
85.02908	1.7
85.06539	2.7
86.09660	1.0
91.05486	2.2
93.07050	3.1
95.04925	1.1
95.08600	3.0
97.02856	1.4
97.06538	2.0
97.10114	0.5
99.04421	0.5
99.08059	0.9
101.06021	0.3
105.07034	1.9
107.04893	1.1
107.08587	2.2
107.95778	0.3
109.02853	0.9
109.06470	1.1
109.10124	2.2
111.04439	0.6
111.08045	0.5
114.10204	0.4
115.05367	0.5
117.06990	0.6
119.04945	2.4
119.08562	2.2
120.08075	0.4
121.02866	5.8
121.06482	0.8
121.10130	1.4
123.08060	0.9
123.11702	0.8
125.09579	1.3
127.03880	1.4
129.06934	0.6
131.08531	0.6
133.02815	0.4
133.06430	0.6
133.10178	1.7
135.08043	0.7
135.11646	1.0
137.05937	0.7
139.03844	0.8
145.02821	0.6
145.10112	1.3
147.04411	3.0
147.07983	0.5
149.02307	1.9
149.05896	0.4
149.13216	0.9
151.07530	6.1
153.01799	0.4
153.05418	0.6
153.06902	0.6
155.08513	1.0
159.11649	0.5
161.09514	0.4
163.03847	1.6
163.07510	0.8
163.14757	0.4
164.07039	0.4
165.05566	0.7
165.06982	2.0
165.09163	0.9
167.03384	1.1
167.07059	4.5
167.08432	0.6
173.13235	0.4
175.03908	0.5
175.14801	0.8
176.15021	0.6
177.09096	0.4
179.03320	0.5
181.10674	0.4
181.12239	1.2
183.07997	2.4
183.11572	0.4
189.05412	0.4
189.16269	0.4
191.10660	1.7
191.14241	0.6
193.15820	0.5
195.02937	0.6
197.05957	0.6
197.13277	0.4
199.07520	0.4
205.12201	0.8
211.07549	3.8
239.07022	4.4
249.10883	0.4
254.05690	1.6
259.09711	0.9
261.04199	0.4
267.06512	45.2
268.06805	0.9
269.08170	0.5
281.04706	0.5
282.05246	2.0
297.07562	100.0
298.07828	1.7
309.07498	0.7
315.08755	1.1
339.08624	1.0
343.15466	1.8
389.15564	0.4
402.17444	0.5
423.29083	0.6
441.29901	1.1
445.26816	0.4
459.12854	87.3
460.13214	1.7
477.19043	2.2
477.25998	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	477.139
Annotation	Scutellarein 6,7-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
53.03925	0.4
54.12646	0.2
55.01834	0.6
55.05494	0.2
57.03402	0.5
61.02884	0.7
65.03901	0.3
67.01822	0.4
67.05486	0.2
68.99768	0.2
69.03424	4.3
69.07034	0.2
69.70184	0.6
69.70611	0.8
70.06563	0.5
71.01292	0.2
71.04935	0.5
72.08115	0.7
73.02899	0.3
79.05444	0.3
81.03416	1.5
81.07009	0.4
83.01291	0.3
83.04932	0.2
84.08103	0.4
85.02895	7.1
85.06477	0.3
86.09654	0.4
87.04411	0.5
89.07090	0.4
91.03912	0.4
91.05469	1.0
92.99751	1.3
93.03401	0.4
93.07037	0.5
95.04898	0.2
95.08556	0.6
95.76337	0.2
97.02888	2.6
98.20792	0.3
99.04449	1.0
103.03915	0.3
105.03341	0.4
105.06984	0.2
105.28036	0.2
107.04971	0.4
107.08525	0.3
109.02863	1.2
109.10120	0.4
110.07153	0.2
117.03323	0.8
119.04938	1.0
119.08524	0.3
121.02810	0.8
121.10114	0.4
123.04391	0.8
123.08033	0.2
123.11613	0.2
124.03921	0.4
127.03899	2.4
131.04852	0.2
133.10037	0.5
135.04353	0.7
137.02274	0.5
145.02805	0.4
145.04919	1.2
145.06369	0.2
147.04413	1.5
152.06143	0.2
153.01765	0.5
159.04329	0.3
161.02289	0.4
163.03874	1.2
167.07059	0.4
167.08513	0.6
169.04887	0.3
173.05940	0.4
175.03859	0.7
177.06912	0.3
179.03365	2.9
181.04933	0.2
185.09579	0.3
193.08490	0.2
195.02841	0.3
195.08040	0.8
197.06073	0.3
198.06754	0.5
199.03813	0.2
201.05423	0.3
213.09084	1.1
216.39308	0.2
223.07491	0.8
229.04932	3.0
241.08575	2.4
247.06015	0.9
253.05087	0.3
255.06453	0.5
269.07999	2.6
271.06033	0.5
273.03912	2.2
273.07269	0.4
279.06454	3.5
297.07526	100.0
298.07889	1.0
309.07571	0.2
315.08575	62.3
316.08936	0.9
339.08502	0.5
476.32965	0.3
477.13852	1.7
477.20526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1387
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
60.39284	0.2
63.00333	0.2
63.72248	0.2
69.78587	1.6
87.88359	0.2
89.05995	0.3
96.46578	0.2
98.23862	0.2
137.06082	0.3
148.05173	0.4
153.01837	0.5
167.03424	0.6
169.12239	1.1
184.05400	0.2
198.06747	0.3
201.05399	0.3
215.07184	0.2
222.94609	0.2
225.05524	0.5
226.06178	0.4
229.04922	1.7
239.32152	0.2
243.06502	2.0
244.07283	0.6
253.04916	0.9
254.05711	1.0
255.06433	0.8
257.04410	2.2
268.03732	0.7
271.06158	1.4
272.06644	0.3
274.26862	0.2
281.04401	0.9
282.05252	1.9
283.06119	1.3
285.03976	2.2
286.04736	0.7
299.05496	2.5
300.02768	0.6
300.06274	26.0
315.08603	100.0
316.08859	1.8
337.21732	0.3
411.55609	0.3
443.30951	0.3
477.13672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
52.45211	0.3
53.03939	0.7
53.26402	0.3
55.01870	0.3
55.05262	0.5
55.05507	5.8
57.03184	0.5
57.03435	6.3
57.07060	0.7
62.06093	0.6
65.03923	1.5
67.05499	24.2
69.03423	0.4
69.07058	5.7
70.55946	1.3
71.04965	0.5
79.05485	12.3
81.07048	21.0
83.05008	0.6
83.08599	2.2
85.06512	0.7
91.05470	6.2
93.07034	13.0
95.04966	0.9
95.08596	16.4
97.06522	1.3
97.10139	0.7
98.06048	1.3
105.07014	3.8
107.08586	6.0
109.06531	0.5
109.10146	5.8
111.08054	0.4
117.07005	1.0
119.08548	2.6
121.10126	5.1
121.69657	0.3
123.08076	0.5
123.11713	1.8
124.01559	0.4
131.08524	1.8
133.10106	2.1
135.11688	2.3
137.13304	0.4
145.10184	1.6
147.11665	0.9
149.13284	1.0
159.11658	0.6
161.13272	0.8
187.14906	0.4
216.06252	0.7
232.04027	0.3
261.22269	0.8
304.26334	13.7
335.25766	100.0
336.26093	2.3
346.05450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1026
Annotation	5,7,2'-Trihydroxy-4',5'-methylenedioxyisoflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03935	0.2
55.01849	0.4
55.05485	0.6
57.03428	0.3
57.07042	0.2
67.05495	1.2
68.99782	0.4
69.03397	0.6
69.07073	1.0
70.06559	0.2
71.04974	0.2
71.12137	0.3
72.08136	0.4
79.05460	0.6
80.55662	0.1
81.03400	0.4
81.06649	0.2
81.07047	2.2
83.04948	0.2
83.08566	0.2
84.08128	0.3
85.02878	0.6
85.06534	1.5
85.17959	0.1
86.09685	0.2
86.78595	0.1
87.04449	0.2
91.05471	0.8
93.07039	1.3
95.04936	0.4
95.08595	2.0
97.02883	0.4
97.06503	0.6
97.10159	0.1
99.04407	0.4
99.08044	0.3
105.07003	1.0
107.04942	0.3
107.08585	1.3
109.02843	0.5
109.06504	0.4
109.10139	1.0
111.04443	0.2
111.08051	0.2
117.07000	0.2
117.87812	0.1
119.08572	0.9
121.06469	0.5
121.10135	1.0
123.04386	0.3
123.08039	0.6
123.11677	0.5
124.03909	0.5
125.05934	0.3
125.09551	0.3
127.03915	0.8
130.06532	0.2
131.01260	0.4
131.04855	0.1
131.08537	0.5
133.06355	0.2
133.10120	0.8
135.08055	0.4
135.11652	0.7
137.05934	0.5
137.09605	0.3
139.03844	0.2
139.07536	0.2
139.11147	0.2
145.04898	0.3
145.10040	0.4
147.04370	0.6
147.11642	0.5
149.05951	0.3
149.09520	0.2
149.13234	0.3
151.07530	4.7
151.08777	0.2
153.01779	0.3
153.05408	0.3
157.09956	0.2
159.11670	0.2
161.05907	0.2
161.13185	0.4
163.07561	0.3
163.11110	0.2
165.05447	0.4
165.09062	1.0
167.07039	1.3
167.14342	0.2
171.04332	0.2
173.13208	0.3
175.07558	0.3
175.11133	0.4
177.05402	0.2
177.09009	0.3
181.08478	0.2
183.11804	0.2
185.13235	0.2
187.03922	0.2
188.04698	0.2
189.09076	0.3
191.07059	0.2
191.10709	1.2
193.01309	0.2
199.03905	0.3
202.02545	0.3
203.03329	0.2
203.10675	0.2
205.08534	0.2
205.12225	0.5
207.10056	0.2
211.16823	0.3
215.03493	0.2
215.10774	0.2
216.04144	0.6
217.12151	0.2
227.03340	0.6
228.04089	0.3
231.13673	0.2
241.01492	0.2
243.02876	0.3
244.03647	8.0
245.04263	0.4
255.02855	3.7
256.03580	0.3
258.03687	0.2
259.06012	2.4
261.22211	0.2
271.02368	1.1
271.05643	0.3
272.03140	2.9
279.23135	0.6
283.02338	34.4
284.02979	1.1
287.05466	6.4
297.08267	0.2
300.02621	11.1
301.02914	0.3
315.04941	100.0
316.05301	2.5
325.06702	0.2
423.29150	0.3
425.38116	0.2
441.30508	0.3
459.31091	0.5
477.09866	0.9
477.18738	0.5
477.25900	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05290	0.9
55.05511	8.3
57.03434	3.8
57.07067	1.1
60.25837	0.7
62.06084	36.7
67.05502	28.4
69.07072	11.0
70.26628	4.0
71.04982	1.7
79.05489	17.7
81.07051	27.9
83.04977	1.3
83.08604	3.8
85.06546	1.0
91.05462	9.3
93.07041	22.6
95.04955	3.0
95.08598	21.4
97.06537	2.0
97.10157	1.6
98.06047	1.8
98.21369	1.1
98.98462	11.2
105.07031	8.5
107.08583	11.2
109.06535	1.2
109.10146	9.6
117.07025	1.5
119.08586	7.2
121.10141	8.2
123.11696	2.6
124.01577	1.1
124.74584	0.8
131.08606	4.7
132.85489	0.8
133.10147	6.0
134.10376	0.8
135.11670	5.5
142.02621	1.8
145.10106	2.6
147.11612	2.0
149.09747	0.9
149.13228	2.9
155.01038	2.9
159.11632	2.1
161.13242	2.2
163.14873	0.9
173.02147	2.8
173.13231	2.6
175.14821	2.0
177.06207	0.8
187.14868	1.0
198.05280	2.7
212.78973	0.9
216.06314	3.3
243.21089	1.9
258.58212	0.8
261.22147	8.2
300.20187	0.8
304.26328	14.6
317.24786	1.4
335.25781	100.0
336.26321	0.9
374.50134	0.8
415.22589	1.6
458.26749	8.6
458.33176	1.3
476.17606	1.4
476.27042	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	476.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
53.10735	0.4
53.58275	0.4
55.01854	1.1
55.05509	2.1
60.99355	0.5
61.02932	0.5
67.05478	1.4
67.34561	0.4
69.03424	3.5
69.07059	5.7
69.65028	1.8
69.65456	2.0
70.06594	1.0
71.01345	0.4
71.04963	0.9
72.08124	1.4
73.02899	1.1
79.05477	1.0
81.03413	3.0
81.07043	1.7
83.08599	1.4
85.02901	7.5
85.06554	0.7
85.32973	0.4
86.09689	0.7
87.00845	3.2
91.05479	2.6
91.49480	0.5
93.07030	2.0
95.08595	5.6
97.00133	0.5
97.02895	3.3
99.04437	2.0
105.01860	3.4
105.07022	6.5
107.08550	2.8
109.02870	3.9
109.10168	2.9
113.09529	0.5
115.03938	0.4
117.07022	0.8
119.08575	26.6
121.10151	2.4
122.02407	1.2
127.03909	6.1
129.01793	0.5
131.08578	1.0
133.10124	23.7
134.10490	0.8
135.11667	1.9
137.05975	0.7
137.09607	1.0
141.32626	0.5
145.04939	2.6
145.10110	2.1
147.04401	1.2
147.11678	5.1
149.13203	0.5
151.14807	0.5
159.02879	1.8
160.12482	1.0
167.07024	1.3
173.13274	1.5
173.92761	0.4
173.94241	0.4
175.14813	100.0
176.12941	0.4
176.15125	2.6
177.05391	0.5
177.16348	2.2
191.14326	0.6
193.15875	7.1
205.15804	0.5
219.93465	0.4
231.04872	0.7
242.15729	0.5
297.07651	2.2
315.08578	1.0
327.08401	0.6
406.70673	0.4
458.18335	0.5
476.33179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01866	1.7
55.05500	1.3
56.89888	0.8
57.03184	1.4
57.03437	14.7
59.04998	3.0
60.04520	1.7
61.02914	2.8
67.05487	2.1
69.03428	44.7
69.07063	1.9
70.06583	1.0
70.93147	1.6
70.93481	2.1
71.04974	2.2
72.08147	1.2
73.02917	14.0
75.04455	1.6
78.03441	1.9
79.05470	1.2
81.03421	8.1
81.07046	2.5
82.93636	0.9
83.04978	1.5
83.08619	1.2
84.04494	1.1
85.02902	34.9
85.06532	1.1
87.04466	24.2
91.05472	2.3
93.07022	3.1
94.66391	0.8
95.04964	1.0
95.08600	2.9
96.12171	0.9
97.02886	41.2
97.06538	1.1
99.04461	4.6
105.07023	8.3
106.02905	8.6
107.04897	0.9
107.08595	3.6
109.02866	11.0
109.06529	2.1
109.10139	2.9
115.03923	54.9
119.08577	5.3
120.08110	1.5
121.10146	2.0
122.02345	2.0
123.04456	1.3
123.11674	1.3
124.03950	24.7
124.05218	6.3
127.03912	100.0
128.04245	3.7
131.08492	1.0
133.04958	55.8
133.06384	5.0
133.10127	9.8
135.08072	2.0
135.11685	2.3
137.05962	8.6
137.09590	3.1
144.06575	1.6
145.04951	10.0
147.04393	2.7
147.11691	2.3
150.07683	6.0
151.03946	1.0
151.07529	2.2
153.05444	3.2
157.06567	1.0
159.08101	1.1
162.07620	1.5
163.05989	1.7
163.07539	1.9
165.09113	30.2
167.07071	3.5
168.07446	1.4
173.13165	2.2
175.03865	1.4
175.14816	12.5
177.05429	3.5
180.08678	2.2
187.05984	1.4
187.07570	1.6
189.09117	3.7
191.06926	1.1
191.14273	1.7
193.15892	2.2
201.09074	2.1
205.04918	1.9
207.06488	2.2
207.10144	1.8
209.15384	2.3
223.06055	2.1
231.10188	2.1
241.07063	2.0
243.10205	1.1
249.05931	0.9
250.07086	2.9
259.08105	2.8
261.11328	1.0
268.08145	15.2
277.09183	1.0
283.06192	1.0
295.10248	1.3
297.07437	1.1
312.12634	0.9
314.07974	2.0
314.11310	2.2
315.08823	1.5
315.12222	2.0
339.08636	10.7
340.09116	2.2
357.09631	8.5
358.10052	1.6
375.10666	9.1
376.10815	2.0
440.25580	1.2
475.32092	1.2
476.17126	1.9
476.33017	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1888
Annotation	Met Tyr Tyr
Peak:m/z	Relative Intensity
53.56643	0.3
55.05501	1.1
56.05002	0.5
57.53046	0.4
62.52872	0.4
64.21708	0.4
67.05510	0.8
69.03413	1.2
69.07045	1.1
70.06593	1.5
71.04987	0.5
71.62714	0.6
72.08150	3.5
79.05501	0.7
81.03420	0.6
81.07038	1.2
83.08590	0.5
84.08105	0.5
85.02901	1.4
85.06548	0.5
86.09672	0.5
89.10791	0.9
91.05463	1.3
93.07043	1.1
95.08605	1.5
97.02885	1.4
97.06505	0.6
99.04440	0.6
105.07014	1.3
107.08582	1.4
108.08890	0.4
109.02866	0.7
109.06519	0.7
109.10146	1.2
119.08576	3.0
121.02837	0.5
121.10122	0.8
124.03967	0.5
127.03896	1.7
131.08574	0.5
133.10117	3.2
133.93497	0.4
135.11696	0.6
137.05966	0.5
147.04425	2.3
163.03889	0.4
165.08981	0.4
167.07025	2.3
172.40654	0.4
173.13165	0.5
175.14804	7.3
192.93385	0.4
193.15889	1.4
194.04544	0.4
202.05946	0.8
206.84625	0.5
211.72110	0.4
213.05386	0.5
225.59042	0.4
228.10188	1.6
229.04739	1.7
267.06436	2.9
282.11243	0.5
297.07587	5.0
297.10950	0.7
298.10373	0.7
314.10468	0.7
314.13596	21.5
315.13837	0.5
444.25604	1.5
459.12860	4.3
470.15414	0.5
476.18872	100.0
477.18762	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	476.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
55.01863	2.1
56.05019	0.6
57.03432	0.8
61.02933	0.5
64.03123	0.5
69.03429	1.7
70.03571	2.4
70.06578	1.6
71.04981	0.7
72.08157	2.4
73.02906	1.8
77.63392	0.4
79.05494	4.0
79.13052	0.4
81.03418	0.7
83.04951	0.5
84.08147	1.0
85.02886	2.5
86.06038	0.6
86.09689	1.0
87.00885	0.4
87.04450	0.8
89.03880	0.5
89.10791	0.5
91.05468	2.5
95.04971	1.4
97.02877	0.8
98.06016	0.6
98.97619	0.6
99.04425	0.7
101.07265	0.4
103.05466	4.5
105.07024	51.6
107.04969	0.6
109.02882	0.9
112.07539	0.5
115.05453	9.1
116.07081	1.1
118.04119	2.9
122.02713	0.9
122.05951	0.5
123.04440	0.5
127.03883	1.6
131.04898	1.5
133.06482	52.6
134.99683	0.5
136.11240	0.7
138.05501	1.1
143.04974	1.0
143.06038	3.3
145.04904	0.6
147.04382	2.4
152.07086	0.7
161.05969	100.0
162.06326	0.8
164.10681	3.7
166.07277	0.5
170.08067	0.6
178.06165	0.6
182.11754	26.7
187.14397	0.8
193.08594	87.4
194.08931	1.3
198.11275	0.7
228.12358	0.8
235.14302	0.7
260.05896	0.4
284.08008	0.9
287.69400	0.5
315.57660	0.5
337.06891	0.6
338.07147	0.8
344.17166	0.6
347.75165	0.6
356.08322	0.8
445.87415	0.5
458.11819	0.5
476.26071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3391
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
55.05495	2.2
58.68877	1.7
58.80925	1.2
62.37357	1.3
67.05486	2.3
69.07053	2.9
71.62993	2.3
79.05482	2.1
81.07054	5.6
83.08607	1.4
91.05456	1.4
93.07018	3.1
95.08609	7.4
97.10162	1.6
103.85100	1.6
105.07018	3.0
107.08585	6.4
109.10151	6.3
119.08595	4.3
121.10133	4.5
123.11713	1.8
126.28433	1.5
133.10094	2.8
135.11717	2.7
149.05713	13.7
149.13258	2.2
151.07460	1.5
165.46194	1.4
167.07161	1.9
189.16385	2.5
191.17990	3.5
193.04716	25.9
193.06459	1.7
197.02997	1.4
221.96199	1.3
249.18375	2.5
356.69739	1.3
431.34924	37.2
439.35126	2.1
475.33743	100.0
476.33755	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	475.3782
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
55.05515	20.2
60.09278	8.3
67.05482	29.1
69.07053	43.3
69.36916	58.2
69.37354	50.9
72.69225	9.0
79.05495	21.2
81.07042	56.1
83.08603	14.1
91.05457	12.6
93.07051	32.4
95.04934	13.3
95.08612	100.0
96.56651	11.4
97.10181	21.5
98.21502	23.3
105.07034	33.7
107.08587	60.8
109.10167	62.8
119.08587	51.1
121.10117	27.7
123.11674	27.7
131.08565	10.8
133.10127	22.4
135.11693	28.9
137.13240	22.9
145.10135	37.3
146.27446	11.8
147.11674	11.6
149.13234	13.5
151.07472	16.0
153.09137	15.9
159.11696	12.9
161.13269	11.0
163.14833	16.1
173.13245	18.1
175.14720	18.1
187.14825	45.1
191.17926	47.5
193.19463	14.6
200.07872	9.9
201.16339	21.6
202.67038	11.1
247.16876	56.3
265.18063	30.1
335.52545	12.0
421.34509	22.5
439.35641	57.8
457.36862	51.8
464.43219	12.3
475.31812	56.1
475.38379	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
55.01859	4.8
55.05503	8.4
57.03436	15.1
57.06811	4.0
57.07076	37.8
59.04967	2.8
61.02927	33.7
67.05505	19.9
69.03419	19.6
69.07059	17.2
71.04977	2.7
71.08627	24.6
71.35842	4.1
72.08909	2.5
73.02917	20.2
75.04478	3.2
79.05469	7.2
81.03421	13.9
81.07052	28.3
82.07377	3.0
83.04972	2.5
83.08620	18.2
85.02901	41.3
85.06493	2.5
85.10187	13.5
87.04454	3.0
91.03954	26.6
91.05471	5.1
93.07034	12.2
95.04964	3.2
95.08606	37.0
96.08942	3.6
97.02888	38.9
97.10164	9.4
99.04447	9.7
101.02367	10.0
103.03902	5.0
105.07036	7.0
107.08575	13.1
108.08912	8.2
109.02874	9.2
109.06537	3.1
109.10148	26.8
110.10496	3.6
115.03956	3.3
119.08569	14.3
120.08916	5.9
121.10133	14.3
122.10455	4.1
123.11702	9.2
125.13242	2.8
127.03897	15.2
129.05383	3.1
131.08551	5.0
133.10110	12.3
134.10464	3.5
135.11678	10.4
137.05988	2.7
137.13239	4.7
145.04944	7.6
145.10121	7.4
146.10478	4.5
147.11703	6.0
148.12004	5.0
149.13245	5.6
151.03883	2.8
151.07527	3.1
151.14810	3.4
153.05440	3.8
159.11621	5.0
163.14861	4.4
164.15186	3.3
183.06578	3.9
187.14777	6.6
188.15172	5.4
189.16319	4.5
190.16762	4.9
197.04454	6.0
201.07588	4.6
201.16391	5.3
202.16705	6.6
205.15894	2.7
207.17503	3.8
208.17735	6.8
209.18062	4.2
239.23656	19.4
256.21426	2.6
313.27362	100.0
356.59616	3.0
368.31250	2.6
372.89413	3.1
411.35220	4.9
427.35767	6.0
428.35797	6.0
429.36441	93.3
439.35175	5.0
447.30838	3.7
457.32404	9.4
475.32205	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	475.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91544	10.2
62.36412	11.5
66.89035	9.3
69.49521	100.0
73.36763	9.1
81.07034	18.1
87.48595	11.2
93.07037	9.8
95.08605	18.3
96.68394	9.7
98.21465	21.2
105.06995	10.3
109.10140	12.0
119.08530	12.7
121.10127	20.1
146.01955	9.8
250.06184	13.4
251.04659	19.7
262.64008	9.0
266.98370	10.4
340.19568	10.7
439.35495	13.5
457.36581	16.5
475.32303	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2685
Annotation	Lucidenic acid I
Peak:m/z	Relative Intensity
53.03927	2.6
55.01873	5.4
55.05261	1.4
55.05506	20.2
55.34406	1.1
57.03410	4.6
57.07050	1.1
57.41431	0.9
58.79126	1.0
59.04952	1.0
67.05495	27.0
69.03401	3.3
69.07056	8.4
70.44106	3.9
71.04979	2.8
72.09682	0.9
74.21968	1.0
79.05485	22.1
81.03411	13.0
81.07050	27.3
83.04950	4.6
83.08607	8.1
85.02833	2.0
85.06512	2.7
91.05467	20.0
93.07036	17.5
95.04961	11.0
95.08601	13.3
97.02855	1.5
97.06509	3.4
97.10169	10.2
98.21439	1.2
99.08054	1.3
105.06368	1.6
105.07016	14.7
107.04945	8.5
107.08586	14.2
107.44557	1.0
109.02847	5.2
109.06471	5.0
109.10127	10.2
111.04469	1.1
111.08064	3.7
115.05428	1.5
117.06994	8.1
119.04926	2.3
119.08551	11.2
121.02883	1.2
121.06468	5.7
121.10120	6.6
123.04411	2.8
123.08030	4.3
123.11694	1.3
125.02316	3.0
125.09621	8.7
128.06166	1.7
129.06998	7.0
131.04904	4.8
131.08553	7.8
133.06511	5.7
133.10138	6.1
135.04379	2.1
135.08012	4.5
135.11662	3.9
137.05934	2.9
137.09576	1.7
141.06947	2.7
142.07687	1.4
143.08574	5.1
145.06480	10.5
145.10123	7.5
147.04396	5.4
147.08011	6.0
147.11673	5.8
149.09584	3.4
149.13208	2.6
151.07553	1.3
153.09102	2.0
153.12762	1.4
155.08536	3.2
157.06445	3.8
157.10089	5.2
159.04378	1.3
159.08073	6.3
159.11670	3.5
160.05164	2.9
161.05971	17.4
161.09576	3.5
163.07582	1.6
163.11171	4.9
165.07019	1.3
165.09138	2.6
167.06990	3.3
167.08429	2.1
169.06461	2.4
169.10054	2.6
171.07994	4.7
171.11644	3.0
173.05940	3.7
173.09622	7.5
173.11713	1.9
173.13210	1.7
175.07498	2.9
175.11169	1.7
181.10048	1.8
183.08043	2.3
183.11615	2.5
185.05849	1.9
185.09566	2.7
185.13214	2.6
187.07491	3.7
187.11105	1.3
189.09067	3.2
189.11195	3.7
189.12706	2.1
191.10611	1.8
193.10269	1.1
193.12218	5.9
195.08037	2.1
195.11610	1.6
197.09627	2.7
199.07523	1.5
199.11168	1.5
199.14922	1.3
201.08969	1.7
201.12839	1.2
201.16325	1.8
203.10748	1.4
203.14314	1.5
205.12378	2.0
209.09627	2.0
211.07472	1.1
211.11160	3.9
213.12656	2.5
225.12764	2.4
227.10661	1.2
227.12672	1.6
229.12259	1.7
231.13708	3.5
237.11128	1.3
239.14459	1.7
243.13762	4.4
252.18483	1.1
259.13589	1.1
267.09128	1.0
269.15298	3.2
271.13202	4.2
273.14764	4.1
285.14813	1.3
287.16263	2.4
289.14307	12.1
299.16382	1.4
303.15787	2.5
304.96115	1.3
311.16507	1.8
337.21582	2.1
347.20120	1.4
355.22653	6.4
365.21109	7.6
373.23691	1.9
383.22122	52.9
401.23169	20.5
419.24020	3.5
421.23703	3.2
431.24191	5.6
439.24615	6.8
457.25720	51.9
475.26733	100.0
476.27213	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	474.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01869	1.4
55.05503	1.7
56.05033	0.7
56.43203	0.6
57.03432	7.0
57.07065	0.6
60.04504	0.8
61.02934	0.7
67.05487	1.8
68.05816	0.7
68.99780	2.5
69.03072	0.9
69.03425	14.3
69.07037	1.6
71.04993	3.1
71.62804	0.6
72.08124	1.5
73.02905	2.4
79.05480	1.6
80.05039	0.8
81.03415	18.7
81.07053	3.6
83.08595	0.8
84.04514	0.7
85.02898	20.3
85.06507	0.9
87.00821	2.7
88.04002	0.6
91.05485	2.2
93.07067	3.2
95.04942	1.3
95.08618	3.1
96.08888	0.6
97.02885	26.3
97.06535	1.3
98.03212	0.7
99.04435	5.9
101.02371	23.0
103.05463	1.4
105.07010	4.4
107.04925	2.0
107.08583	2.6
107.32902	0.6
108.04469	10.4
109.02873	24.6
109.06532	0.7
109.10133	1.8
111.04461	1.0
119.03409	100.0
119.08547	3.6
120.03616	0.8
120.08092	0.7
121.10127	1.5
123.08091	0.8
123.11699	0.7
126.05528	4.0
127.03905	31.2
130.90199	0.7
131.03398	7.0
131.08548	1.8
133.10141	3.1
135.08054	1.8
135.11679	1.3
143.08551	0.8
145.04955	11.4
145.10178	0.8
147.04381	2.0
147.11667	2.4
151.07556	0.8
154.06248	4.3
159.11641	1.2
159.44357	0.6
161.04460	1.4
163.03850	1.0
163.07541	4.6
165.09164	0.7
167.06964	3.1
171.11674	0.7
173.04453	13.7
173.05925	0.4
173.13278	2.8
174.25629	0.7
175.14845	5.7
181.37424	0.8
191.14317	2.7
195.10170	17.3
207.06447	0.8
210.14958	1.1
226.07260	0.9
227.05457	4.1
244.08177	2.9
245.06541	9.1
262.09369	3.3
263.07715	2.1
329.01294	0.9
353.10986	1.3
474.27908	1.3
475.27631	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	0.9
51.18204	0.9
53.03930	3.4
55.01875	5.8
55.05259	1.4
55.05507	20.4
57.03414	4.8
65.03915	1.5
67.05499	25.2
69.03421	3.3
69.07063	9.1
70.75640	1.9
70.76038	2.1
71.04973	3.2
72.08138	1.6
79.05489	21.8
80.58181	0.8
81.03417	13.0
81.07047	22.5
83.04988	5.3
83.08619	10.5
84.44184	0.8
85.02892	1.6
85.06495	1.5
91.05473	19.7
93.07038	14.4
95.01321	1.6
95.04967	11.9
95.08601	14.4
97.02885	2.2
97.06525	2.7
97.10152	13.2
99.08040	1.7
103.05415	1.6
105.07018	15.1
107.04960	8.9
107.08594	11.9
109.02868	5.0
109.06485	2.9
109.10152	11.4
111.08065	2.8
113.34654	0.8
115.05440	2.3
117.07001	8.1
119.04921	2.9
119.08572	9.4
121.02855	1.4
121.06511	7.2
121.10162	6.1
123.04405	3.2
123.08051	3.9
123.11687	2.4
125.02339	2.7
125.09641	9.5
128.06216	1.2
129.06981	9.7
130.07785	1.1
131.04924	5.0
131.08572	8.8
133.06454	6.0
133.10114	7.1
135.04414	4.7
135.08041	4.6
135.11679	3.7
137.05974	1.7
137.09613	1.2
137.13245	1.5
141.06953	3.2
143.08548	4.7
145.02824	1.6
145.06459	8.6
145.10092	8.2
147.04384	4.9
147.08014	7.4
147.11627	5.8
149.05975	2.5
149.09584	4.2
151.03917	1.2
151.07532	1.5
153.06941	1.7
153.09096	1.8
153.23618	1.1
154.07687	1.1
155.08540	4.1
157.06485	4.2
157.10062	4.9
159.04417	1.9
159.08034	3.9
159.11658	2.8
160.05177	3.0
161.02351	1.2
161.05972	19.1
161.09529	3.3
161.13164	1.4
163.03894	10.6
163.07518	1.6
163.11119	5.1
165.06935	1.0
165.09045	2.1
165.12718	1.2
167.07018	2.4
167.08507	2.4
169.06471	2.6
169.10117	3.1
171.07994	4.6
171.11642	2.1
173.02324	1.9
173.05988	4.9
173.09595	3.9
173.11754	1.9
173.13184	1.3
175.07503	2.8
175.11128	5.1
176.11935	1.1
177.05598	0.9
179.08597	1.4
181.06549	1.3
181.10168	1.8
183.08054	2.1
183.11690	2.6
185.05988	1.7
185.09628	3.1
185.13309	2.1
187.03860	3.7
187.07570	3.5
187.11179	0.9
187.14781	0.9
189.05322	0.9
189.09091	2.7
189.11208	3.4
191.10703	2.6
193.10403	1.3
193.12241	5.0
195.08066	1.4
195.11684	2.0
197.09671	2.4
197.13284	1.2
199.07561	1.6
199.11104	1.8
201.05397	1.2
201.09055	1.1
201.12794	1.4
203.10469	1.5
203.14294	2.3
205.12215	1.9
207.11830	0.9
209.13281	1.2
209.19005	1.9
211.11157	3.2
213.05444	3.5
213.12756	2.3
215.14223	1.5
223.11214	1.4
225.12750	2.6
227.12700	2.3
229.12231	2.0
231.13771	3.9
235.11209	1.0
237.11041	1.4
243.13741	3.5
251.14378	1.0
253.12126	1.3
255.13931	1.4
257.11850	1.2
257.15308	1.8
259.13107	1.4
261.14929	1.0
267.13708	1.2
269.15314	3.2
271.13293	6.2
273.14795	4.4
285.14752	1.1
287.16379	1.7
289.14343	9.7
299.16284	1.7
303.15945	3.4
309.14923	1.4
313.17789	1.4
319.20496	1.4
337.14325	8.9
337.21588	2.5
347.20035	1.6
355.15475	2.4
355.22552	5.2
365.21167	11.8
369.16898	3.0
373.23651	1.4
383.22131	54.9
384.22470	1.9
386.84940	1.1
393.23825	1.0
401.23242	22.0
403.22665	1.4
419.24176	3.5
421.23798	3.9
431.24255	7.1
439.24670	9.1
457.19345	2.2
457.25824	46.1
458.25711	1.8
475.26965	100.0
476.27209	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	474.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35058	0.6
69.03410	1.0
70.06564	1.5
70.93167	1.6
72.08163	3.5
81.03397	0.6
83.06080	0.7
83.42284	0.6
84.08085	0.7
85.02912	1.2
85.76644	0.5
86.09695	1.1
96.74328	0.6
98.09680	0.8
99.63155	0.5
105.05788	0.7
106.06497	0.7
111.05537	3.2
117.05375	0.7
120.04444	3.1
126.06626	1.9
127.03906	0.8
132.04449	24.1
134.06018	4.5
137.04672	2.1
147.04408	4.0
148.04681	1.0
151.06143	8.3
167.06996	0.6
194.06711	4.2
195.07471	1.0
202.09711	2.1
218.11723	1.1
230.09375	0.8
235.14412	2.5
242.09186	4.4
255.08914	0.7
256.15509	0.5
257.10352	4.8
259.11914	11.9
277.16837	0.6
284.11395	2.5
285.09677	0.7
302.12439	17.8
327.11850	4.0
345.13040	100.0
346.13223	2.8
350.64676	0.6
380.49701	0.6
389.02829	0.6
409.37241	0.6
432.56488	0.7
456.16232	1.7
469.28098	0.6
474.17252	16.1
474.22882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
55.01864	1.9
55.05510	5.6
57.07077	1.5
58.17437	1.3
59.04985	1.3
67.05497	21.1
69.03416	2.6
69.07057	8.7
69.69441	6.6
69.69842	2.9
71.05006	1.7
79.05488	6.9
81.07047	17.9
81.07461	1.9
82.07375	1.5
83.08615	3.9
84.30672	1.1
85.02884	2.9
85.06541	7.5
91.05472	6.6
93.07029	16.1
95.04968	3.6
95.08601	28.0
97.06512	3.1
97.10194	3.5
99.04444	3.3
105.07021	13.0
107.04971	1.5
107.08585	25.8
109.06509	1.3
109.10139	19.4
111.08089	4.0
113.06006	2.2
117.07034	1.9
119.08569	20.6
121.10139	20.8
123.08119	4.3
123.11687	8.5
125.09630	2.0
129.06966	2.7
131.08574	6.8
133.10118	28.0
135.08099	2.4
135.11693	18.7
137.09654	2.8
137.13266	4.1
139.07550	1.3
139.11227	2.2
142.07820	1.7
143.08557	3.5
144.09340	1.6
145.10089	10.8
147.11674	20.9
149.09650	2.4
149.13243	8.3
151.11241	3.0
151.34560	1.3
154.94141	1.4
155.08597	1.6
157.10165	6.0
159.11676	12.5
161.09686	1.8
161.13266	9.5
163.14780	6.3
169.10162	3.7
171.11757	4.2
172.95287	5.7
173.13197	9.2
175.14824	7.7
177.16434	3.8
181.10239	1.6
183.11763	3.6
185.13306	5.7
187.11203	1.7
187.14807	7.3
189.16374	18.9
190.96300	4.4
191.14397	2.5
191.17918	7.5
193.15935	1.3
195.11728	1.5
197.13324	3.4
199.14857	4.2
201.16351	7.9
203.14456	1.6
203.17905	10.3
205.16075	2.4
207.17433	15.3
211.14876	3.6
213.16519	2.7
215.14317	2.6
215.18047	4.8
217.15921	4.3
217.19533	1.6
219.17351	1.7
225.16513	1.9
228.97771	3.2
229.15950	5.4
229.19496	2.3
231.17444	2.0
233.15503	1.8
247.17073	4.4
297.22040	1.8
336.19690	1.4
337.20721	2.7
401.32196	1.8
409.35001	1.9
419.33328	5.1
427.36264	1.6
437.34311	17.4
455.35693	19.7
473.19626	10.3
473.36398	100.0
474.36969	2.3
482.12289	1.5
496.21548	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	473.3623
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
54.36520	0.4
55.05508	1.8
57.07054	0.8
59.04473	0.4
59.52216	0.4
67.05502	3.9
69.07066	3.7
70.16114	1.4
70.16525	1.0
79.05489	2.1
81.07053	7.7
83.08607	1.8
84.07603	0.5
90.05183	0.4
91.05474	3.6
93.07033	9.0
95.04956	0.6
95.08602	12.8
97.06538	1.1
97.10139	1.0
97.67023	0.4
105.07021	7.7
107.08583	14.1
109.06502	1.2
109.10146	7.3
111.08080	1.6
117.06998	1.0
118.53970	0.4
119.08578	12.8
119.75974	0.4
121.10129	9.1
123.08069	4.3
123.11700	3.8
125.09614	0.8
126.96030	0.4
131.08557	3.8
133.10120	12.8
135.08055	0.8
135.11690	12.3
137.09561	0.8
137.13264	1.1
139.11113	0.5
143.08536	1.1
145.10109	7.5
147.11678	11.1
149.09618	0.5
149.13251	6.2
151.11148	1.5
157.10095	1.8
159.11690	5.4
161.13243	6.6
163.14806	4.9
165.12798	0.5
165.16385	0.4
171.11696	1.6
173.13231	3.7
173.43858	0.4
175.11212	0.5
175.14815	6.1
177.12749	0.5
177.16389	2.6
179.10767	0.4
179.14319	0.8
185.13234	2.3
187.14810	7.2
187.16406	0.6
189.16376	13.9
189.18060	0.7
191.14290	0.6
191.17981	2.1
193.15897	0.8
199.14839	2.4
201.16376	17.9
203.17952	9.8
205.15862	7.3
207.17429	14.9
210.60953	0.4
213.16399	1.9
215.17912	5.2
215.19815	0.4
217.19569	1.1
219.17485	1.9
221.19008	1.7
225.16371	0.4
227.17943	1.0
229.19470	2.7
231.21031	0.8
233.15321	0.6
233.19038	0.9
235.17067	0.6
241.19421	2.0
243.21124	1.9
247.16943	8.4
249.18503	0.7
251.16521	0.8
255.21100	6.1
257.22546	1.3
267.21100	0.6
269.22598	2.3
273.22128	0.6
275.19989	0.6
287.20047	0.9
289.21469	0.5
301.21631	2.9
303.23083	1.3
315.23190	1.7
331.26276	5.9
341.28732	0.6
357.27838	4.5
391.33466	2.3
398.51865	0.4
409.34607	4.8
427.35696	100.0
428.36002	2.7
437.34125	6.9
455.35294	4.1
473.36264	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3626
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05505	3.2
56.31403	0.7
57.07065	1.3
67.05501	6.0
69.03418	1.1
69.07069	6.5
70.36961	3.5
79.05497	2.4
81.07050	12.5
83.08617	2.9
83.43505	0.7
85.06536	1.1
91.05467	5.0
91.43956	0.7
92.79995	0.9
93.07040	11.2
95.04967	1.5
95.08601	20.1
96.42638	0.8
97.06511	2.4
97.10158	0.8
98.98446	1.6
105.07030	10.8
107.08593	19.0
109.06522	1.2
109.10154	10.4
111.08077	1.3
117.07021	1.5
119.08573	19.1
121.06472	1.2
121.10143	14.4
123.08080	5.2
123.11691	6.5
125.09625	0.9
128.55969	0.9
131.08588	6.3
133.10123	13.4
135.08093	1.7
135.11687	14.2
137.13277	2.3
143.08568	1.9
145.10118	9.4
147.11685	12.6
147.13516	0.9
149.09630	1.2
149.13254	5.3
151.11177	2.3
155.00948	0.8
157.10126	2.5
159.11690	7.7
161.13235	6.1
162.10297	0.9
163.14803	5.2
164.69006	1.0
167.08621	0.8
171.11848	1.7
172.95204	1.7
173.13254	4.8
175.14821	5.2
177.12677	0.8
177.16360	4.4
185.13245	2.5
187.14816	7.6
189.16359	15.6
190.96381	1.1
191.17947	3.5
197.13222	1.0
199.14806	2.5
201.16371	15.3
203.14410	1.0
203.17958	9.2
205.15854	6.4
207.17419	16.3
213.16376	2.2
215.17920	5.1
217.19551	1.0
219.17487	3.1
221.15398	1.3
221.19220	1.1
227.17830	1.0
229.19530	2.5
233.15343	1.9
233.19038	1.0
235.16872	1.1
241.19545	2.4
243.20947	1.7
247.16917	7.0
249.18623	0.9
251.16481	0.9
253.19858	0.8
255.21107	4.9
257.22623	1.3
261.18375	1.1
269.22626	2.5
287.20090	1.0
289.21536	1.1
301.21564	3.6
303.23245	1.3
315.23199	1.9
331.26236	4.0
337.27921	1.1
357.27866	3.3
391.33563	2.4
409.34634	7.2
427.35724	100.0
428.36050	2.8
437.34384	8.7
455.35669	6.4
473.20279	1.0
473.37204	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	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23758	2.5
55.01863	3.9
55.05506	6.3
57.03429	4.3
57.07073	4.5
59.04996	2.8
60.59512	2.7
61.02924	5.1
67.05504	24.8
69.03428	10.5
69.07066	6.0
69.56364	14.0
69.56789	10.3
70.06589	13.0
71.04984	3.4
72.08154	26.1
79.05499	5.2
81.03432	6.1
81.07071	3.2
83.04975	3.7
84.08142	6.6
85.02909	14.0
85.06551	13.6
86.09703	9.4
87.00819	5.3
91.05466	6.6
93.07040	10.1
95.04968	5.4
95.08601	100.0
97.02895	8.8
105.01851	9.5
105.07024	8.9
107.08582	13.5
109.02878	5.1
109.06496	4.8
110.02383	8.0
113.05986	13.6
119.04958	4.7
119.08583	20.8
121.02883	5.9
121.06520	2.6
121.10068	5.8
123.08070	35.6
123.11732	2.9
127.03900	16.2
133.10178	3.6
135.11690	15.9
137.05998	3.1
137.09576	7.7
138.02692	2.4
142.03178	2.4
145.04959	5.8
147.04419	7.3
147.11713	7.5
149.09608	42.2
151.14850	2.9
152.07095	6.9
161.13206	17.6
163.11194	10.4
165.12711	6.2
167.06955	4.3
169.09784	3.6
179.14351	5.2
180.07784	3.8
187.03905	5.5
189.12726	22.0
203.96716	2.7
207.13797	83.1
295.06140	4.4
325.07181	4.4
337.07230	6.1
348.56628	2.9
351.08691	3.5
367.08038	6.5
473.19812	26.3
473.24963	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
54.65364	2.5
55.01857	6.2
55.05492	10.9
57.03416	3.4
61.02916	6.4
67.05499	22.4
69.03418	19.3
69.07059	7.0
70.06586	22.4
70.65795	2.6
71.04976	4.3
71.06930	2.6
71.62833	4.4
72.08153	89.9
79.05489	5.7
81.03426	15.4
81.07046	9.1
83.04965	9.5
84.08129	11.7
85.02902	37.3
85.06544	8.8
86.09682	13.3
87.00815	9.2
89.10776	5.7
91.05487	14.0
93.07036	12.9
95.04967	6.2
95.08042	4.8
95.08605	68.5
96.34904	2.4
97.02902	16.9
97.06548	5.5
98.06042	7.6
99.04446	6.0
105.01846	11.3
105.07021	12.7
107.04947	6.5
107.08597	14.0
109.02876	11.6
109.06494	8.0
109.10163	5.5
110.02393	21.4
110.07162	6.0
111.04412	4.3
113.02356	7.4
113.05991	11.7
114.10302	3.5
115.08691	8.2
119.04935	10.2
119.08585	20.1
121.02829	6.3
121.06496	4.1
121.10165	17.1
123.04427	3.2
123.08067	66.3
123.11716	3.4
127.03923	45.8
129.10225	3.9
129.55603	2.4
131.04919	5.7
133.06451	3.7
133.10182	4.5
135.11690	11.3
137.05962	4.0
137.09601	6.3
143.68787	2.8
145.04987	8.9
145.06398	3.9
145.10095	4.6
147.04411	33.6
147.07993	4.4
147.11685	6.2
149.09618	100.0
150.09964	3.4
151.03845	3.1
151.07501	4.5
152.07076	18.8
159.04337	5.5
159.08069	4.5
161.05902	3.9
161.13261	14.7
163.03851	6.4
163.11165	9.5
165.05531	5.3
165.12743	7.7
167.07031	8.3
167.10724	2.9
169.09749	8.1
171.11688	5.2
177.05533	3.6
179.07051	4.8
180.07813	11.3
181.12164	2.9
183.13756	4.6
184.09688	5.4
187.03897	11.0
188.04761	3.6
189.12758	23.5
205.05031	3.3
206.05649	5.3
207.06436	5.8
207.13791	96.8
225.14862	9.8
231.06624	3.6
235.07396	2.9
253.08177	2.7
261.12634	2.8
279.06430	4.2
286.07092	4.0
289.58545	4.0
295.05908	7.5
296.06879	2.7
307.05869	4.3
311.05609	3.2
311.10187	6.8
325.06995	5.6
337.07013	4.2
339.08612	3.7
341.10284	13.0
353.06454	6.3
367.08087	16.1
368.13116	5.8
385.09119	11.7
391.08273	3.3
395.63010	2.7
404.14169	4.3
427.10107	5.8
438.15344	3.4
455.18460	8.6
473.10236	9.5
473.24094	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
54.65364	2.5
55.01857	6.2
55.05492	10.9
57.03416	3.4
61.02916	6.4
67.05499	22.4
69.03418	19.3
69.07059	7.0
70.06586	22.4
70.65795	2.6
71.04976	4.3
71.06930	2.6
71.62833	4.4
72.08153	89.9
79.05489	5.7
81.03426	15.4
81.07046	9.1
83.04965	9.5
84.08129	11.7
85.02902	37.3
85.06544	8.8
86.09682	13.3
87.00815	9.2
89.10776	5.7
91.05487	14.0
93.07036	12.9
95.04967	6.2
95.08042	4.8
95.08605	68.5
96.34904	2.4
97.02902	16.9
97.06548	5.5
98.06042	7.6
99.04446	6.0
105.01846	11.3
105.07021	12.7
107.04947	6.5
107.08597	14.0
109.02876	11.6
109.06494	8.0
109.10163	5.5
110.02393	21.4
110.07162	6.0
111.04412	4.3
113.02356	7.4
113.05991	11.7
114.10302	3.5
115.08691	8.2
119.04935	10.2
119.08585	20.1
121.02829	6.3
121.06496	4.1
121.10165	17.1
123.04427	3.2
123.08067	66.3
123.11716	3.4
127.03923	45.8
129.10225	3.9
129.55603	2.4
131.04919	5.7
133.06451	3.7
133.10182	4.5
135.11690	11.3
137.05962	4.0
137.09601	6.3
143.68787	2.8
145.04987	8.9
145.06398	3.9
145.10095	4.6
147.04411	33.6
147.07993	4.4
147.11685	6.2
149.09618	100.0
150.09964	3.4
151.03845	3.1
151.07501	4.5
152.07076	18.8
159.04337	5.5
159.08069	4.5
161.05902	3.9
161.13261	14.7
163.03851	6.4
163.11165	9.5
165.05531	5.3
165.12743	7.7
167.07031	8.3
167.10724	2.9
169.09749	8.1
171.11688	5.2
177.05533	3.6
179.07051	4.8
180.07813	11.3
181.12164	2.9
183.13756	4.6
184.09688	5.4
187.03897	11.0
188.04761	3.6
189.12758	23.5
205.05031	3.3
206.05649	5.3
207.06436	5.8
207.13791	96.8
225.14862	9.8
231.06624	3.6
235.07396	2.9
253.08177	2.7
261.12634	2.8
279.06430	4.2
286.07092	4.0
289.58545	4.0
295.05908	7.5
296.06879	2.7
307.05869	4.3
311.05609	3.2
311.10187	6.8
325.06995	5.6
337.07013	4.2
339.08612	3.7
341.10284	13.0
353.06454	6.3
367.08087	16.1
368.13116	5.8
385.09119	11.7
391.08273	3.3
395.63010	2.7
404.14169	4.3
427.10107	5.8
438.15344	3.4
455.18460	8.6
473.10236	9.5
473.24094	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37444	0.9
55.01851	1.9
55.05505	9.5
55.33231	1.0
61.02903	0.8
67.05506	1.2
69.03421	2.8
70.06580	9.0
71.04984	1.3
71.63042	1.6
72.08147	100.0
79.05469	1.5
81.03384	2.2
81.07040	1.3
83.08559	1.0
84.04498	1.6
84.08138	4.9
85.02890	4.8
86.09695	3.3
89.10786	10.8
91.05471	2.7
93.07046	1.1
95.04929	2.3
95.08557	0.8
97.02877	3.1
98.06042	29.5
99.04448	1.9
100.11236	0.9
105.07067	1.3
107.04946	3.2
107.08590	1.7
109.02885	2.1
110.02401	3.3
114.09107	1.2
115.05448	3.4
115.08683	31.3
117.07024	4.4
117.39026	0.9
119.04931	3.3
119.08549	1.0
121.02867	2.3
121.06527	1.0
121.10158	1.4
123.04437	2.5
123.08059	1.0
124.07608	1.1
127.03888	6.1
131.04893	2.1
132.05690	1.2
133.02827	1.4
137.05983	1.5
143.04890	1.7
144.05760	2.1
145.05013	1.0
145.06451	6.9
147.04391	8.1
149.05965	1.2
151.03873	1.0
152.07047	2.0
153.05443	1.0
159.04395	2.5
160.05182	2.4
161.05966	3.2
163.03897	1.8
165.05504	1.5
165.06926	1.1
167.07053	4.1
169.09700	1.9
171.04390	2.0
173.06018	2.7
175.14763	0.8
177.05423	2.0
179.07007	1.1
179.08546	2.0
180.07758	1.3
181.04965	1.0
181.08679	1.0
182.22200	0.9
187.03922	2.7
189.05426	2.3
189.07007	2.0
189.12721	1.0
191.07054	1.6
192.10207	1.7
198.03036	1.5
205.06448	3.2
207.06400	2.0
207.08067	13.7
210.06831	1.9
211.07480	1.3
217.04895	3.5
218.07458	1.0
219.06503	2.6
223.07729	1.5
224.06651	1.5
225.04214	4.2
225.09055	1.7
225.14925	1.0
231.06499	25.0
233.05994	3.9
235.07547	12.4
236.04691	1.0
238.03859	1.0
238.06271	3.4
242.04558	1.4
249.05382	1.5
249.07677	2.3
250.06244	2.9
251.07014	2.9
253.03627	5.1
253.08539	10.3
256.05988	1.4
260.04645	2.2
261.05450	3.9
263.06982	3.0
264.04071	2.2
265.04849	1.6
265.08688	1.3
265.11569	1.3
266.08002	1.0
267.08560	1.7
268.05923	1.0
270.04715	1.0
271.04831	2.1
278.05707	1.6
279.06400	13.5
280.09354	1.9
281.08063	6.9
283.05954	1.9
283.09695	1.2
284.09424	1.4
285.07596	1.3
286.07065	26.2
295.05872	2.3
296.08911	2.0
297.07547	3.7
298.08301	1.6
307.05997	4.2
309.07407	1.7
310.10648	2.9
311.08255	1.8
311.11044	5.1
312.08887	3.7
313.10583	4.5
318.13419	1.3
321.07513	4.2
323.09003	1.7
324.06271	1.9
325.06952	3.6
328.11771	14.4
335.15662	1.6
339.08594	21.1
341.06503	1.2
341.10184	4.4
345.14340	6.4
357.09491	3.7
367.07974	3.4
385.09076	3.5
395.14694	1.1
410.16006	2.2
412.17651	2.0
429.20099	3.7
437.08655	1.1
438.15457	20.3
455.18079	46.8
456.16473	5.2
473.10629	6.0
473.19452	25.8
474.20361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1793
Annotation	CAY10650
Peak:m/z	Relative Intensity
53.03931	0.4
53.46651	0.3
55.01844	0.5
55.05495	0.9
56.05001	0.3
57.03432	0.4
60.05636	0.3
69.03410	1.5
70.06583	2.3
71.04967	0.7
71.61650	0.7
72.08148	5.8
73.02885	0.5
73.08481	0.4
74.06076	0.3
79.05479	0.4
80.05025	0.4
81.03394	0.7
81.07076	0.4
83.04983	0.4
84.04473	0.6
84.08136	1.9
85.02899	2.7
86.06055	1.3
86.09698	1.3
87.04455	0.9
88.69923	0.3
89.10771	0.7
89.79543	0.3
90.07134	0.3
91.05454	1.0
95.04946	0.6
97.02853	1.1
98.06033	1.4
98.09658	0.5
98.97556	0.4
100.07606	0.5
105.07029	0.5
108.04405	0.3
109.02881	0.5
110.02377	1.4
110.07153	0.4
113.85539	0.3
114.09192	0.3
114.10272	0.3
115.08703	0.6
119.04904	1.3
127.03877	1.8
128.10693	0.5
129.10222	0.5
131.04903	0.7
134.06009	0.5
136.07523	0.8
139.13301	0.3
140.07091	0.5
142.08568	0.4
145.02798	0.4
145.04880	0.5
146.11737	0.5
147.04410	5.0
148.03801	0.5
148.04814	0.8
149.78285	0.3
151.89172	0.3
152.07013	0.7
152.10835	0.4
162.09099	1.2
163.03836	0.9
164.06886	1.3
166.04982	7.6
167.05434	0.4
167.07030	0.8
179.03398	10.5
180.10127	0.8
190.08755	0.4
193.08406	0.4
201.00600	0.4
208.09662	2.1
218.08688	1.1
218.11742	1.3
219.01778	0.4
235.07019	0.4
235.14391	0.4
256.10397	0.4
256.15439	0.4
260.09647	0.6
265.11856	3.4
277.16629	0.5
289.11786	0.4
290.16025	0.5
292.16476	0.4
292.33539	0.4
313.11963	0.4
326.12076	5.1
331.09924	1.3
344.11841	2.4
367.08295	0.5
413.11230	0.6
472.17770	100.0
473.18271	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	472.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01673	0.6
55.01912	1.3
55.05564	1.9
57.03459	0.7
58.06642	0.8
63.39920	0.6
64.80916	0.5
65.03999	0.6
67.05550	1.7
69.03148	0.6
69.03487	2.2
69.07101	1.4
70.06645	2.6
71.02153	1.5
71.05041	0.9
72.08149	4.7
73.02930	0.7
73.08536	0.6
79.05527	1.2
81.03450	1.3
81.07084	0.8
82.06624	0.9
83.05028	1.5
84.04535	1.2
84.08139	7.9
85.02895	3.3
85.06599	0.8
86.06100	1.3
86.09741	1.1
87.04511	1.0
91.05472	4.1
93.07014	4.8
94.06583	0.6
95.05033	2.1
95.08648	1.3
96.04541	0.8
97.02879	3.3
98.06105	1.5
98.09707	0.9
99.04509	0.8
100.07664	0.7
101.05997	3.6
105.07035	3.1
106.06566	0.6
107.05035	0.7
107.08659	1.4
108.04497	0.8
108.08197	0.8
109.02921	1.3
109.06584	0.8
109.10232	0.6
110.02463	1.1
110.06149	1.0
110.07183	0.6
111.08076	3.3
112.07616	0.7
114.10358	1.4
117.07088	0.8
118.21869	0.6
119.04990	1.1
120.08215	0.6
121.02936	1.1
121.06562	1.9
122.06083	2.4
123.04470	0.9
124.04018	2.1
124.07664	1.4
127.03896	3.7
128.10730	3.2
131.04935	0.8
132.08154	1.3
133.06436	3.7
134.09665	3.6
135.08112	2.0
136.07562	3.9
137.02412	2.3
137.05965	4.9
137.80635	0.6
138.05548	1.5
138.09180	0.9
140.07141	1.7
144.08148	0.7
145.04927	0.7
145.06506	0.8
146.11838	2.1
147.04396	3.9
147.06831	1.1
148.04863	0.8
148.07587	0.8
149.06036	0.8
150.09256	0.8
151.04015	0.7
152.07117	1.9
152.10767	2.6
154.08641	1.2
160.07599	1.8
162.05547	2.0
162.09129	25.1
163.04002	0.7
163.07542	1.2
164.07094	1.1
165.09103	8.8
166.08746	0.6
167.07089	1.8
168.06598	1.1
170.08194	1.8
174.09181	1.3
176.07121	1.2
177.05466	1.2
177.10265	1.3
178.04930	3.6
178.08633	6.0
180.10181	22.4
188.07120	1.5
189.01135	0.6
190.08598	4.4
196.09720	1.0
201.10242	1.0
202.08669	2.0
205.09703	4.0
206.04506	5.6
208.09676	51.6
209.09950	0.8
211.08629	0.7
217.09908	0.8
218.11882	0.8
219.11278	1.4
220.09682	1.4
226.08539	0.7
228.10408	0.7
229.09677	1.4
234.10283	0.9
239.11777	0.6
241.09656	0.8
247.10822	2.5
255.11279	2.0
256.09592	0.7
261.21707	0.6
265.11810	100.0
266.12192	2.3
267.11325	1.5
268.08145	0.8
271.10980	1.0
285.12634	0.6
289.11798	7.4
290.15945	7.0
291.13391	2.7
292.14664	1.5
297.12488	0.8
303.13535	0.8
310.16098	0.9
311.05463	1.4
313.11813	7.2
314.12415	1.2
315.13385	2.6
317.11237	2.5
319.12949	2.8
323.05432	1.2
324.06335	0.7
329.11249	1.1
333.14468	2.8
338.07803	0.9
341.06625	6.1
341.10306	1.1
353.06342	1.6
367.08017	1.3
372.40887	0.6
381.09552	0.6
395.07437	3.3
419.07565	1.3
425.08456	1.2
436.18124	1.7
437.08264	1.8
454.19122	7.8
454.24283	3.1
455.09198	1.7
472.20374	34.9
473.10068	3.0
473.19492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	Ilelatifol D
Peak:m/z	Relative Intensity
52.24914	1.1
53.03931	1.1
55.05506	4.0
57.07082	2.1
59.77673	1.1
67.05509	5.8
69.07062	7.4
70.75774	3.2
79.05486	4.9
81.07043	18.5
83.04990	2.0
83.08616	4.6
85.06541	2.2
91.05451	5.0
92.05877	1.1
93.07027	12.6
95.04961	3.1
95.08593	25.0
95.09155	1.9
97.06541	1.9
97.10152	1.7
105.07024	14.4
107.08579	19.6
109.06516	3.3
109.10148	15.5
111.08072	1.9
111.11645	1.1
117.07047	1.5
119.08573	25.3
121.06502	1.6
121.10136	15.4
123.08071	2.5
123.11678	10.1
125.05970	1.5
129.06995	1.3
131.08568	4.9
133.10117	20.1
135.08057	1.5
135.11670	18.4
137.09622	1.6
137.13251	3.3
139.07620	1.4
142.07799	1.9
143.08560	6.9
145.10101	12.0
147.08000	1.4
147.11671	13.3
148.66945	1.3
149.09599	2.4
149.13223	7.6
151.11198	1.5
155.08540	1.7
157.10107	9.3
159.08191	1.5
159.11673	6.8
161.09654	3.3
161.13216	5.0
163.11122	1.7
163.14824	3.1
166.78998	1.0
169.10127	2.0
171.11748	3.9
173.09673	2.9
173.13226	6.5
175.11220	4.3
175.14793	13.4
177.12775	1.5
177.16394	3.2
183.11665	1.9
185.13275	3.4
186.68130	1.2
187.11220	2.4
187.14755	7.5
189.09201	1.4
189.12735	1.5
189.16371	19.3
191.10533	1.6
191.17935	1.9
193.15851	1.3
197.13283	2.9
199.14763	12.0
200.15353	1.0
201.12776	1.3
201.16364	4.1
203.14406	1.3
203.17958	7.4
205.15799	5.1
207.17451	3.8
209.13280	1.7
211.14786	1.8
215.14226	5.9
217.12527	1.8
217.15851	48.4
219.17459	2.8
221.18956	5.5
225.12798	1.2
227.14319	1.3
229.15898	4.5
230.12886	1.1
231.13826	2.6
231.17346	2.0
233.15327	14.8
235.16872	6.8
243.17445	10.4
245.15343	29.7
246.16173	2.1
247.16931	3.8
249.18481	1.3
259.17001	2.4
263.16479	3.8
271.20575	3.3
281.19202	1.4
285.22302	1.9
295.20520	1.5
299.20187	3.4
301.21695	3.7
313.21704	3.7
327.23199	1.2
343.81320	1.1
351.26819	1.3
385.27618	1.3
407.33224	2.1
417.31436	2.8
425.34558	5.1
435.32611	24.1
443.35339	2.6
453.33661	54.8
454.33963	3.9
471.24377	3.1
471.34723	100.0
472.35062	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	471.3466
Annotation	Maytenfolone A
Peak:m/z	Relative Intensity
50.21077	1.0
55.05506	5.0
57.03437	1.6
57.07075	2.1
63.33566	1.1
67.05507	7.7
69.03440	1.3
69.07069	8.9
70.02004	1.1
70.75535	2.9
71.04985	2.1
77.57640	0.9
79.05492	5.9
81.06583	1.4
81.07053	19.0
83.08627	4.7
85.06549	1.9
91.05465	8.7
93.07044	17.1
95.04967	4.6
95.08600	28.8
97.06544	4.9
97.10198	3.3
99.08099	5.0
105.07022	17.4
107.08588	34.9
107.09273	2.2
109.06541	5.1
109.10155	18.8
111.08089	7.5
119.08574	32.7
121.06541	3.4
121.10152	21.0
123.08075	4.5
123.11700	14.3
125.09623	1.3
130.07825	1.2
131.08611	4.7
133.10123	30.9
133.11066	2.1
135.08092	3.4
135.11691	33.8
135.12692	2.2
137.09653	4.8
137.13261	1.9
139.07570	2.1
143.08571	2.8
145.10101	14.4
147.08092	3.6
147.11684	21.4
147.12761	1.6
149.09676	3.4
149.13274	8.0
151.11182	5.5
156.09334	1.1
157.10143	5.2
159.11650	7.7
161.09671	4.9
161.13228	12.5
163.11147	9.0
163.14822	9.1
163.15947	0.9
165.09184	2.0
171.11740	4.8
173.13345	4.5
175.11282	5.2
175.14899	4.7
177.12802	1.4
177.16367	5.3
183.11711	1.8
185.13361	2.3
187.14801	14.4
189.12770	1.3
189.16374	41.2
193.15919	1.2
197.13359	1.7
199.14822	1.4
201.16466	1.3
203.14316	7.7
203.17946	24.0
203.19693	1.6
205.15845	16.0
205.17519	1.5
207.17429	82.7
208.17838	1.9
213.16484	4.8
217.15977	3.6
221.15436	10.1
221.18988	19.1
223.16910	100.0
224.17255	2.2
229.15721	1.4
231.13942	1.6
231.17448	11.4
233.15294	7.1
243.17430	1.4
245.19511	1.3
247.16974	2.7
249.14946	3.0
249.18515	12.9
299.20248	1.6
394.16922	1.4
425.34290	2.2
435.32748	7.9
443.35553	1.4
451.26270	1.3
453.33633	53.0
471.34879	38.0
472.35440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01857	5.3
55.05508	21.2
57.03416	7.7
57.07060	6.9
57.40062	2.5
61.02906	2.7
65.03925	5.2
67.05504	34.9
68.52769	2.6
69.03423	17.3
69.07059	30.3
70.06575	6.9
71.04976	11.9
71.62524	2.1
71.62985	3.3
72.08134	13.8
79.05488	33.4
81.03391	9.1
81.06569	5.2
81.07047	100.0
83.04955	9.3
83.08614	15.4
84.04465	3.2
84.08113	4.0
84.88219	2.4
85.02898	22.7
85.06514	9.0
86.09700	3.2
87.04446	8.8
89.10835	3.5
91.05463	39.9
93.06461	4.4
93.07034	67.4
94.07384	2.7
95.04943	14.8
95.08599	91.3
97.02887	27.1
97.06522	11.3
97.10139	8.2
99.04425	5.2
99.08064	6.2
105.07025	76.3
107.04905	6.4
107.08586	84.6
109.02864	5.8
109.06524	18.3
109.10143	54.6
110.06814	2.6
111.04439	2.9
111.08073	63.0
112.07566	14.7
113.05974	2.8
115.03930	2.8
115.05419	4.2
117.06992	9.4
119.04926	6.4
119.08568	99.9
121.02848	6.3
121.06494	8.7
121.09306	3.9
121.10133	57.7
122.06029	2.9
122.10458	4.8
123.04449	5.5
123.08078	10.8
123.11705	23.0
125.05965	10.3
125.09625	11.4
127.03883	18.5
127.07519	4.4
127.11164	4.6
129.05484	3.3
129.07007	9.2
130.07834	4.1
131.04919	3.8
131.08539	34.8
133.06480	3.9
133.10109	64.0
135.04388	2.6
135.08029	7.7
135.11667	37.2
137.05949	8.7
137.09605	10.7
137.13205	5.6
139.07512	5.3
139.11171	8.8
140.07043	2.5
141.05507	3.2
141.09067	2.6
143.08565	11.6
143.10652	3.3
144.09315	3.1
145.02838	7.6
145.04985	2.7
145.10104	60.5
147.04378	21.6
147.08015	6.4
147.11673	62.3
149.05978	3.8
149.09586	10.3
149.13243	53.4
151.07544	7.4
151.11171	8.0
152.07108	3.9
153.12735	3.7
155.08545	4.6
157.10103	17.7
159.07999	3.5
159.11662	43.7
159.12880	4.9
161.05910	3.2
161.09543	3.8
161.13223	57.3
163.03894	7.7
163.07538	8.0
163.11176	7.9
163.14803	19.6
165.09111	7.0
165.12747	7.5
167.07034	11.3
169.08710	3.3
169.10075	9.1
171.11636	14.7
173.13245	30.7
175.03905	3.2
175.07516	4.4
175.11221	4.3
175.14799	36.3
177.05382	15.5
177.09109	6.4
177.12811	3.6
177.16383	23.0
179.10666	3.7
179.14299	8.8
181.12158	3.6
183.11545	5.3
185.13272	12.5
187.07668	4.3
187.11092	4.1
187.14775	38.5
189.05420	3.4
189.09102	4.3
189.12715	7.5
189.16351	49.4
191.10646	3.9
191.14278	5.9
191.17874	6.8
193.10153	3.5
193.12222	3.7
193.15910	7.5
195.11638	5.2
197.13179	6.8
199.14799	13.5
201.16374	48.6
203.14297	6.7
203.17928	25.3
205.12167	3.9
205.15848	30.1
207.13792	3.7
207.17393	22.8
211.14801	6.9
213.16324	12.3
215.14243	7.4
215.17915	15.8
217.08640	3.9
217.15877	10.5
217.19481	3.8
219.13715	4.1
219.17407	17.1
221.15335	4.1
221.18974	6.1
222.14752	3.7
223.15044	5.2
225.16359	5.2
227.10680	2.9
227.14253	3.1
227.17940	5.1
229.15840	7.3
229.19542	3.8
231.17392	8.5
233.18916	6.3
239.17834	4.0
241.19424	4.7
243.21082	4.4
245.15334	3.5
245.19043	5.5
247.16859	9.8
249.07787	2.7
251.16504	5.0
259.20355	2.8
261.18582	3.3
261.22079	4.0
263.16458	4.1
265.17841	6.0
277.17947	4.1
281.08209	2.7
291.19464	6.5
295.06049	4.7
309.03983	3.9
309.07388	4.1
311.05475	7.0
313.25095	3.7
317.21085	3.3
321.07504	7.0
323.05414	7.7
325.03461	3.8
325.07001	4.2
327.04813	6.5
335.09088	5.3
339.04736	5.1
339.08530	3.7
365.10358	4.6
367.29822	3.7
379.11807	5.1
381.09457	5.3
389.32187	4.5
393.13452	3.2
395.33298	3.3
399.10846	4.3
407.32956	25.8
413.30545	6.3
417.30396	4.9
425.34076	36.5
435.14279	5.2
435.32156	11.2
441.33487	12.0
453.15775	4.8
453.28043	4.5
453.33707	40.1
471.16217	49.3
471.26321	7.2
471.34351	22.9
472.16452	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	471.3468
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03930	0.6
55.05508	2.0
56.54766	0.6
57.07065	1.0
67.05515	3.6
67.05806	0.7
69.07061	4.3
69.99779	3.5
71.04975	0.6
79.05482	4.5
81.06580	0.8
81.07056	13.4
83.08610	2.4
85.06531	0.6
91.05491	1.8
93.07037	6.7
95.04971	1.5
95.08608	10.4
97.06525	2.1
97.10169	2.0
97.77370	0.5
98.20802	0.7
99.04424	0.8
99.08075	1.0
105.07013	5.0
107.08582	9.9
109.06535	1.4
109.10152	7.4
111.08094	0.6
115.07565	0.6
117.06925	0.6
119.08582	6.9
121.06522	0.9
121.10143	9.0
123.08127	0.9
123.11691	3.8
125.06001	3.7
125.09660	0.8
131.08588	2.8
133.10123	5.5
135.08066	3.2
135.11674	3.3
137.09605	1.3
137.13242	1.3
139.07539	2.3
143.08553	2.6
145.10123	7.6
147.08057	0.9
147.11719	2.9
149.09599	2.3
149.13260	1.4
151.07629	0.6
153.09085	2.6
155.08575	0.8
157.10138	2.9
159.08052	1.5
159.11673	4.5
161.09622	1.4
161.13255	2.7
163.11223	1.5
163.14833	1.2
167.10657	2.3
169.10123	2.1
171.11682	3.0
173.09613	2.6
173.13266	2.5
175.07559	0.6
175.11182	4.4
175.14838	1.6
177.09111	1.5
177.16408	1.0
181.12230	1.1
183.11758	1.0
185.13269	2.5
187.11223	5.0
187.14806	4.3
189.01610	1.7
189.12711	0.7
189.16388	2.4
191.10663	1.3
191.14328	0.7
191.17970	0.8
197.13306	1.9
199.14778	1.7
201.16370	1.1
203.17937	1.1
205.15813	2.8
207.17479	1.8
209.13341	0.7
211.14798	2.0
213.12775	0.9
213.16415	1.0
214.13664	0.8
215.14317	7.3
217.15822	3.5
223.16974	2.9
227.17986	0.9
229.15866	57.3
230.16246	1.4
231.17505	3.6
233.15372	11.1
243.17490	1.8
247.16920	9.1
257.18982	3.1
269.18906	1.2
283.20511	5.6
297.22232	1.9
315.23178	1.0
365.82523	0.6
407.32971	0.7
411.32666	0.8
417.31778	0.7
425.33994	1.1
435.32620	7.6
453.33640	43.6
454.34079	1.4
471.34705	100.0
472.34775	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97749	0.3
55.05377	1.0
55.05659	0.8
57.06972	0.4
57.07201	0.4
66.77540	0.3
67.05344	0.9
67.05697	0.6
69.03306	0.4
69.06907	2.6
69.07325	1.0
79.05332	0.8
79.05750	0.5
81.06876	1.9
81.07397	0.5
82.88946	0.3
83.08438	3.4
83.08974	0.8
85.06403	0.5
85.10046	0.7
91.05293	0.9
93.06850	2.0
95.08421	3.9
95.09072	0.7
97.06386	0.4
105.06828	2.2
107.08395	4.0
107.09184	0.6
109.06313	1.0
109.09948	1.7
111.07893	0.7
119.08367	5.4
121.06288	0.7
121.09922	1.7
123.07843	1.5
123.11484	1.3
124.08655	0.4
131.08374	0.4
133.09909	4.6
135.07884	0.7
135.11469	5.2
135.12579	0.4
137.05766	0.9
137.09387	2.8
137.13098	0.6
138.06598	0.6
139.07370	0.4
145.09982	0.7
147.07863	0.6
147.11450	2.8
149.13007	1.1
151.07309	8.9
151.11118	1.7
153.08916	0.9
157.09845	0.5
159.11440	1.1
161.09590	1.5
161.13036	1.1
163.14822	1.6
165.08888	1.3
165.12585	0.4
166.09903	2.4
166.29826	0.3
167.10359	0.4
169.08470	0.5
169.09868	0.3
173.13148	0.6
175.11061	0.4
175.14578	1.3
179.10472	0.5
179.14014	0.5
185.13049	0.4
187.14706	0.6
189.16357	10.0
190.65775	0.3
199.14735	0.3
203.14359	1.9
207.17435	11.1
217.15671	0.4
219.13605	0.4
221.15364	5.6
225.16249	0.4
253.19205	0.3
291.22903	0.5
293.27789	0.3
341.24728	0.3
345.27884	5.3
347.25714	1.1
359.25720	2.1
361.27225	0.7
373.27484	1.7
374.28168	3.1
375.28970	1.9
387.28806	0.6
425.34058	0.5
435.32874	0.3
443.35181	100.0
444.35623	4.3
453.33673	0.9
471.34705	11.0
472.35089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3468
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05505	2.0
57.07063	0.7
61.40364	0.2
67.05203	0.3
67.05506	2.6
69.03422	0.4
69.07062	3.1
70.23955	0.7
71.04965	0.3
74.17947	0.3
79.05475	1.4
80.88935	0.2
81.07050	5.3
81.07510	0.4
83.04971	2.5
83.08614	1.3
85.06541	0.5
85.54713	0.3
91.05458	1.8
93.07040	4.7
95.04954	1.3
95.08600	8.6
97.06538	1.3
97.10156	0.7
99.08145	0.3
105.07019	7.3
107.08591	8.9
107.57772	0.2
109.06517	1.0
109.10150	4.6
109.49638	0.2
111.08072	0.7
111.11718	0.3
117.06973	0.4
119.08574	9.0
121.06523	0.6
121.10139	6.3
121.98448	0.2
123.08080	1.1
123.11695	2.9
125.05965	0.3
125.09600	0.5
129.07066	0.3
131.08557	1.9
133.06508	0.4
133.10132	5.5
135.08014	1.1
135.11690	6.2
137.09601	0.5
137.13255	1.1
139.07547	0.5
139.11223	0.5
141.06900	0.6
142.07805	0.3
143.08565	1.8
145.06508	0.3
145.10115	3.0
147.08047	0.9
147.11678	3.7
149.09599	1.1
149.13242	1.9
151.07593	0.3
151.11183	0.6
153.09081	0.5
153.12752	0.3
155.08595	0.8
156.09279	0.3
157.10098	2.8
159.08083	0.5
159.11659	2.1
160.12369	0.3
161.09613	1.9
161.13226	2.5
163.11223	0.6
163.14798	1.3
165.12743	0.3
169.10110	0.6
170.10899	0.3
171.11685	1.9
172.79092	0.2
173.09624	0.4
173.13248	3.4
175.11198	1.3
175.14816	7.5
176.15430	0.2
177.12822	0.3
177.16377	2.2
179.14325	0.9
183.10236	0.3
183.11658	1.3
184.12642	0.3
185.13177	1.2
187.11186	0.8
187.14784	3.0
189.12848	1.1
189.16365	13.7
191.14326	0.2
191.17932	1.5
192.97856	0.2
193.15953	0.6
197.13251	2.1
199.14816	3.0
201.12761	0.5
201.16383	1.3
203.14394	0.5
203.17961	0.3
205.15767	0.4
207.17429	1.4
209.13361	0.5
211.14862	1.4
213.16434	1.4
215.14362	1.6
215.17984	0.8
217.15874	7.3
219.17435	0.4
221.15416	0.4
225.16435	0.6
227.17949	1.1
229.15887	1.0
229.19527	0.6
231.17462	0.7
233.15411	0.6
235.16899	5.3
239.17937	0.3
241.19481	0.6
243.17537	0.2
243.21140	0.7
245.15417	0.4
245.19019	0.8
247.17039	0.2
253.19539	2.0
255.21243	0.4
257.19067	1.0
259.20511	0.3
261.14932	0.4
263.16464	0.3
267.21091	0.7
271.20541	5.1
273.18546	0.5
273.22064	0.6
275.16699	0.3
275.19821	0.2
283.20422	0.2
285.22144	0.5
299.20187	0.7
311.23581	0.3
317.21149	1.2
329.21368	0.3
385.27142	0.7
407.33417	1.8
425.34134	8.7
435.32764	1.6
453.34024	3.1
471.34711	100.0
472.35052	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	471.3467
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03933	3.3
55.05507	18.0
57.03425	2.0
57.07063	3.2
61.02915	1.4
67.05501	17.3
69.03421	6.8
69.07059	10.3
71.04974	4.9
71.63509	1.5
72.08163	2.1
73.02886	1.4
79.05482	10.8
81.03415	3.7
81.07048	25.5
83.04975	7.7
83.08603	5.2
84.08138	3.1
85.02883	7.0
85.06524	4.8
91.05469	13.6
93.07034	25.4
95.04959	6.5
95.08598	37.2
96.57796	1.3
97.02873	5.4
97.06512	4.2
97.10162	5.2
98.03295	1.1
99.04441	2.2
99.08092	2.0
105.06371	2.0
105.07021	24.4
107.04906	2.7
107.08584	34.7
109.02859	7.8
109.06496	5.5
109.10146	43.6
109.84821	1.2
111.04415	1.6
111.08064	4.7
113.90459	1.2
117.06989	3.9
118.67456	1.1
119.04952	1.8
119.08570	33.5
121.06519	3.6
121.09303	1.8
121.10130	23.9
123.04441	4.1
123.08046	3.4
123.11702	9.9
125.05991	4.3
125.09617	5.4
127.03902	100.0
127.07587	1.6
127.11228	1.6
128.04231	4.9
128.06203	1.5
129.07019	2.7
131.08568	13.6
133.06567	1.4
133.10117	26.1
135.07991	3.3
135.11682	20.6
137.05966	2.8
137.09592	4.3
137.13237	4.3
139.03874	2.0
139.07501	1.4
139.11201	2.0
142.07727	2.2
143.08514	7.5
143.10643	2.0
145.04961	1.8
145.06342	1.3
145.10104	23.8
147.04359	4.9
147.08011	2.9
147.11682	18.3
149.06012	2.0
149.09607	32.4
149.13194	8.1
151.03859	3.6
151.07530	3.1
151.11186	3.6
153.12749	1.6
154.85985	1.4
155.08549	2.5
156.09329	2.1
157.10086	11.0
158.10834	1.4
159.04379	1.8
159.07971	2.6
159.11676	18.3
161.06091	1.8
161.09637	4.4
161.13245	18.2
163.07587	1.4
163.11154	4.0
163.14780	8.7
165.09070	2.8
165.12762	2.1
166.07695	1.4
167.07018	1.4
169.10127	4.4
170.10922	3.2
171.08017	1.6
171.11711	7.3
172.12384	1.6
173.06000	3.7
173.09662	3.0
173.13232	10.0
175.07521	2.2
175.11209	4.1
175.14828	9.8
177.05467	3.0
177.16376	3.9
179.10583	1.4
179.14284	2.2
181.08575	2.2
181.10069	1.9
181.12202	1.5
183.11696	5.3
185.13196	17.7
187.07553	3.4
187.11095	2.1
187.14809	16.0
189.05389	1.7
189.12772	2.5
189.16362	15.6
191.10728	1.8
191.14272	2.5
191.17923	12.6
193.12221	2.1
195.11623	1.3
197.13191	3.7
199.14784	12.0
201.12671	1.9
201.16327	13.5
203.10641	1.6
203.14272	2.0
203.17917	8.9
205.12216	1.9
205.15883	4.5
207.13739	2.6
207.17407	10.6
209.13290	2.3
211.14787	3.6
213.05501	6.6
213.16365	5.8
215.07108	1.2
215.14333	2.4
215.17854	2.8
217.12383	2.1
217.15833	12.9
217.19475	2.0
219.13820	2.8
219.17342	4.0
221.15312	2.1
221.18956	1.5
225.16255	2.3
227.17929	2.9
229.19458	1.9
231.13834	6.1
233.15311	10.9
235.13170	1.9
239.18141	1.5
241.15723	1.3
241.19568	1.9
243.21017	1.5
245.15312	6.5
245.19048	1.6
247.16840	3.2
253.19438	1.6
255.21066	2.1
259.16913	1.7
263.16525	1.6
273.18301	2.0
285.22168	1.6
295.05917	1.6
301.21558	2.1
309.03882	1.8
309.11139	3.6
311.05429	2.7
313.21320	1.8
323.27420	3.2
325.06934	3.5
327.23181	1.5
337.07272	1.5
341.28387	2.2
347.09109	4.8
351.08459	1.4
351.26724	4.9
365.10129	18.7
366.10477	3.2
367.11954	1.9
369.28195	6.6
389.31833	3.7
407.33078	22.9
417.30441	2.0
425.34091	39.0
435.14340	1.5
435.32495	18.4
453.15308	3.4
453.27774	2.2
453.33502	23.3
471.16562	12.4
471.29706	1.9
471.34894	21.9
472.16513	1.6
473.12686	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01867	2.0
55.05502	5.1
56.96570	1.4
57.03433	2.7
57.07065	2.7
57.55531	1.0
59.04991	1.5
61.02940	1.3
65.03941	1.0
67.05500	24.0
69.03432	8.7
69.07061	1.1
70.06586	4.6
70.13219	4.2
71.04989	85.7
71.08657	1.1
72.08150	9.7
73.02918	5.9
79.05499	3.7
81.03424	2.6
81.07052	51.3
83.08633	1.4
84.04504	1.6
84.08140	3.6
85.02902	15.2
85.06540	11.6
87.04474	2.3
91.05473	1.4
95.04990	1.4
95.08595	6.0
97.02891	7.6
97.10172	1.6
98.06076	1.9
98.09677	1.4
98.97561	1.2
99.04497	1.1
104.50518	0.9
105.07034	1.2
107.04962	1.2
109.02880	3.2
110.02352	1.2
110.07185	1.6
115.03915	4.2
116.98630	3.7
119.04955	1.2
123.11699	17.2
127.03916	9.9
128.98616	1.2
133.04962	2.0
134.99623	2.9
137.02339	1.0
137.05986	1.3
138.05530	4.3
140.07095	1.4
141.12732	100.0
145.05003	1.7
147.04402	7.7
148.04796	2.3
152.07057	1.7
159.13802	48.9
161.01257	1.2
161.05963	1.6
162.09273	1.0
164.98648	1.5
177.00764	2.4
177.05537	1.3
177.14853	82.1
180.10219	1.7
182.99643	6.9
201.00713	25.8
218.11508	1.1
219.01724	8.6
224.02336	1.6
237.02873	2.6
261.02985	1.1
291.13519	1.1
309.02853	1.4
309.14325	1.2
309.19025	0.9
327.03839	1.6
339.20145	5.2
351.03760	7.9
369.04889	6.3
377.25436	1.0
453.18921	1.2
471.09067	15.5
471.17911	1.8
471.22827	2.7
471.28281	2.1
472.09680	1.3
472.17416	1.3
476.23441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01873	1.0
55.05512	4.5
57.03431	1.6
57.07059	1.0
63.26017	0.6
65.03954	1.0
67.05499	7.9
69.03431	8.8
69.07072	5.6
70.06593	1.4
71.04972	1.9
72.08144	2.0
79.05496	6.2
81.03407	3.8
81.07056	16.9
83.04998	3.6
83.08609	2.3
85.02908	5.3
85.06527	1.9
86.09698	0.9
91.05482	7.6
91.06018	1.0
93.07047	9.5
95.04960	3.5
95.08601	11.9
97.02889	5.8
97.06527	2.2
97.10155	0.6
98.21513	1.0
99.04465	1.2
99.08084	0.7
101.02380	2.3
105.07024	13.0
107.04955	4.8
107.08592	21.9
109.02878	3.5
109.06512	5.9
109.10151	13.6
111.04423	1.1
111.08092	2.5
115.03953	1.0
115.05447	1.8
117.06990	2.8
119.03419	9.5
119.04897	0.6
119.08583	9.6
119.09363	1.1
121.06506	2.6
121.10133	15.1
122.07275	4.5
123.04465	1.0
123.08048	2.6
123.11678	3.3
125.05996	2.0
125.09616	1.2
127.03906	7.0
129.06976	1.5
131.08577	5.8
133.10126	100.0
134.10455	1.0
135.08044	8.3
135.11682	4.5
137.06017	1.4
137.09610	52.0
137.13229	1.0
139.11191	1.6
143.08577	2.7
145.04967	0.9
145.10124	5.6
147.04390	4.3
147.08046	0.7
147.11679	6.3
149.06013	0.8
149.09595	4.0
149.13268	12.0
151.03931	0.6
151.07544	1.0
151.11200	1.5
151.14790	0.6
152.05756	0.7
153.05478	1.2
155.08598	1.2
157.10167	2.3
158.10944	1.8
159.08168	0.8
159.11693	4.3
161.05913	0.9
161.09644	1.4
161.13229	2.7
163.03828	0.6
163.07510	1.0
163.11145	1.0
163.14824	2.7
165.09129	0.9
165.12724	1.0
165.96829	0.6
167.07034	1.7
169.10069	0.7
171.11693	1.4
173.09598	1.0
173.13264	8.3
175.07513	1.5
175.11168	1.5
175.14833	2.6
177.05489	1.6
177.16379	1.2
179.10594	0.5
179.14195	0.6
183.11716	0.9
185.13268	1.1
187.11067	0.7
187.14874	3.0
189.09093	0.8
189.16412	2.6
191.14296	48.1
191.17892	1.4
193.12175	0.7
199.14903	1.6
201.16403	2.5
203.14326	0.8
203.18021	2.1
205.15836	1.1
207.17404	1.0
209.15292	5.5
211.13228	1.4
211.14980	0.8
215.18025	0.8
217.15910	0.8
219.17473	0.9
243.17360	0.7
245.15398	0.9
255.13655	0.7
259.09869	0.7
263.16415	1.2
293.07700	0.7
308.33429	0.7
309.07501	1.1
309.28244	0.8
325.06888	1.2
399.28967	1.3
407.33078	1.7
417.30469	1.1
425.16324	0.7
425.34238	1.3
435.14655	0.8
435.32672	0.8
453.15536	3.1
453.33835	4.2
471.16275	0.8
471.21326	1.8
471.26190	3.7
471.34616	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	471.2199
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
53.03930	0.4
55.01858	0.5
55.05499	0.6
57.03412	0.4
57.07065	0.2
59.04998	0.5
61.02892	0.2
65.03922	0.2
67.05500	1.7
69.03429	1.2
69.07069	1.2
69.61804	1.3
70.06559	0.2
71.04984	0.4
72.08172	0.3
73.02882	0.2
78.28103	0.2
79.05489	1.2
81.03402	0.7
81.07053	2.5
83.04969	0.6
83.08600	0.5
84.08170	0.2
85.02904	1.1
85.06537	0.6
85.65800	0.2
91.05476	1.3
93.07031	2.1
95.04962	1.1
95.08595	2.2
95.97757	0.2
97.02899	0.9
97.06538	0.8
97.10174	0.4
99.04459	0.5
99.08110	0.2
103.05450	0.2
105.07016	1.8
107.04932	0.3
107.08590	2.2
109.02867	0.5
109.06490	0.9
109.10158	1.8
111.04413	0.3
111.08073	0.3
117.07008	0.7
119.04956	0.2
119.08564	2.0
121.06526	0.6
121.10133	1.5
123.04433	0.8
123.08051	0.5
123.11705	0.5
125.05989	0.4
125.09649	0.5
127.03912	2.0
129.05592	0.2
129.07007	0.5
131.04951	0.4
131.08560	0.6
133.06422	0.3
133.10118	1.1
135.04416	0.2
135.08066	0.7
135.11699	0.7
137.02327	0.8
137.05980	0.5
137.09625	0.6
139.07532	0.4
139.11101	0.2
141.06967	0.2
142.07669	0.2
143.08548	0.5
143.10722	0.2
145.02858	0.5
145.05077	0.2
145.06396	0.3
145.10117	1.2
147.04387	1.2
147.07993	0.3
147.11714	1.0
149.05856	0.2
149.09569	0.4
149.13248	0.7
151.03889	0.5
151.07524	0.3
151.11140	0.2
153.09036	0.2
155.08488	0.3
157.06488	0.2
157.10150	0.6
159.04449	0.2
159.08020	0.4
159.11691	1.0
161.05984	0.4
161.09621	0.5
161.13286	0.5
163.03926	0.2
163.11172	0.6
163.14746	0.2
165.09123	0.4
165.12756	0.2
167.07053	0.5
167.10693	0.2
169.06441	0.2
169.08705	0.3
169.10063	0.4
171.08046	0.2
171.11664	0.5
173.05998	0.7
173.13260	0.5
175.03883	0.2
175.11082	0.2
175.14828	0.3
177.05464	1.4
177.16318	0.2
181.08591	0.2
183.11754	0.2
185.04160	0.4
185.13261	0.4
187.03923	0.2
187.07521	0.6
187.14836	0.2
189.01875	0.4
189.05490	0.3
189.16429	0.3
191.14302	0.2
197.13217	0.2
199.07373	0.2
199.14810	0.3
201.05409	0.2
201.16458	0.3
203.05228	0.9
203.10699	0.2
203.17867	0.3
204.32846	0.2
205.12199	0.2
205.16031	0.2
207.02928	0.3
213.16290	0.2
215.14406	0.3
217.15866	0.2
219.13828	0.2
233.08133	0.3
235.13173	0.2
243.06503	0.6
257.18933	0.2
259.07910	0.8
271.16714	0.2
291.15704	0.3
294.05258	0.3
295.05969	0.3
307.05988	0.5
309.07568	1.6
309.10800	0.3
309.16644	1.6
310.07852	0.2
323.05426	0.6
324.06189	0.3
325.07031	0.3
333.07755	0.4
335.05493	0.5
339.08884	0.3
347.09637	0.3
349.10815	0.4
359.09164	0.7
365.10138	0.3
377.10193	7.4
378.10693	0.6
381.09897	0.4
395.11380	1.2
399.10822	0.2
399.25146	0.2
417.30789	0.2
435.14667	0.4
435.32571	0.3
453.15515	1.1
453.33542	0.6
471.21988	100.0
472.22308	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	471.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.01865	1.4
55.05504	4.3
57.03425	1.8
57.07071	1.4
58.89033	0.6
61.02907	0.5
65.03931	1.0
67.05501	6.9
68.99785	0.5
69.03426	7.2
69.07059	5.2
69.91187	2.9
70.06597	0.8
71.04980	2.1
72.08128	0.8
73.02912	0.5
75.35309	0.5
79.05483	6.6
81.03415	3.2
81.07048	13.8
83.04965	4.4
83.08582	1.6
84.08137	0.7
85.02888	4.4
85.06535	2.4
91.05473	8.6
93.07035	10.5
95.04936	2.6
95.08042	0.9
95.08604	11.6
97.02882	5.1
97.06506	1.8
97.10176	1.0
98.20797	0.5
99.04429	1.5
101.02384	2.2
103.05441	0.8
105.07020	13.4
107.04957	4.2
107.08585	24.6
108.08923	0.7
109.02865	2.9
109.06503	6.7
109.10154	12.3
110.39607	0.5
111.08071	3.1
115.03881	0.6
115.05434	1.5
117.03335	0.9
117.06985	2.8
119.03407	9.3
119.04888	1.2
119.08566	9.6
121.06504	2.3
121.10132	16.0
122.07283	4.4
123.04429	2.3
123.08062	2.0
123.11709	2.9
125.05971	1.0
125.09631	1.5
127.03898	6.2
127.11210	0.7
127.22346	0.5
129.07077	0.5
131.08571	5.1
133.10118	100.0
134.10497	1.2
135.04385	0.6
135.08041	8.6
135.11671	3.8
137.05992	0.9
137.09602	53.5
139.07471	0.8
139.11171	1.1
140.66458	0.5
141.09074	0.5
143.08549	2.3
143.10699	0.6
144.09373	0.5
145.02837	0.9
145.06496	0.8
145.10110	5.1
147.04395	3.5
147.08038	1.1
147.11674	5.2
149.05901	0.7
149.09622	3.4
149.13243	12.7
149.14365	1.0
151.07544	1.2
151.11163	1.2
157.10132	2.2
158.10872	1.4
159.08018	0.7
159.11647	3.6
161.05940	0.9
161.09584	1.0
161.13269	3.0
163.11162	1.7
163.14835	3.1
165.09148	1.5
167.07066	1.2
169.10056	0.7
171.11674	1.7
172.12535	0.5
173.04570	0.8
173.05959	4.3
173.09647	0.6
173.13261	5.8
175.07544	1.4
175.14896	2.8
177.05458	3.7
177.09074	0.6
177.16306	1.3
181.99101	0.5
183.11659	0.6
185.05992	0.8
185.13226	1.3
187.07526	3.5
187.11182	0.6
187.14810	2.0
189.09081	0.6
189.12846	1.1
189.16357	1.7
191.14284	44.5
192.14684	0.6
193.08656	0.7
193.12259	1.0
199.07515	1.2
199.14821	1.4
201.16360	1.6
203.10655	0.7
203.14301	1.2
203.17950	1.2
205.15846	1.3
207.17493	1.0
209.15337	4.9
211.13220	1.2
213.05505	0.7
217.15858	0.8
219.17445	1.4
245.06480	1.2
277.19583	0.5
309.07977	0.9
309.11230	5.8
310.11478	0.6
311.05432	0.7
327.04712	0.7
339.08850	0.8
365.10046	1.1
377.10147	2.7
395.11292	1.4
407.33047	1.2
407.71463	0.7
417.30347	0.8
425.34027	1.5
435.14197	1.0
435.31973	1.8
453.15387	3.5
453.33826	3.2
454.14676	0.6
471.16638	9.2
471.22327	1.3
471.26340	2.3
471.34558	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	471.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69455	0.5
54.01641	0.7
55.01847	0.6
55.05507	1.3
57.07051	0.7
57.43659	0.6
63.42222	0.7
67.05503	3.8
69.07055	3.3
71.64787	1.2
74.55318	0.6
74.55869	0.7
76.90821	0.7
79.05488	2.4
81.07048	4.7
91.05479	3.7
93.07034	11.2
95.04970	0.9
95.08599	5.8
98.39456	0.6
105.07045	3.6
107.04955	1.8
107.08588	9.4
109.06518	1.0
109.10155	7.1
116.07222	0.7
117.07009	2.4
119.04919	1.4
119.08563	4.0
121.02847	2.4
121.10142	3.6
123.08118	1.2
123.11701	1.9
129.07010	1.1
131.08577	1.4
133.10129	3.7
135.11679	8.1
137.13210	0.9
145.10123	1.9
147.11700	2.0
149.13225	1.6
157.06454	1.4
159.11668	1.7
169.06442	1.0
173.13286	1.4
175.14857	1.4
185.05905	0.9
185.13252	0.8
189.05402	1.8
189.16400	2.1
197.13454	0.8
201.16345	1.2
203.07005	1.0
204.09393	0.9
207.02791	0.9
207.17551	0.7
213.05463	2.2
215.08601	0.9
217.15915	0.9
229.10153	2.1
231.06383	1.0
231.08302	1.2
232.08791	5.6
233.09467	0.7
242.07304	1.2
247.11163	0.8
257.09464	0.8
259.07458	0.8
260.08340	4.2
261.08917	0.7
275.10678	2.6
283.05914	0.7
295.05997	13.2
303.10147	12.9
306.08929	1.2
307.05975	2.6
307.09692	2.5
309.07709	0.9
313.08707	0.8
321.07584	1.4
331.09616	44.3
332.10028	1.6
333.07657	2.2
334.08298	2.9
335.09048	0.8
337.10712	2.7
349.10684	100.0
350.10983	1.8
363.12320	1.5
373.10419	0.7
377.13773	1.4
387.12280	0.9
389.14148	1.4
391.15463	3.3
403.15286	4.2
415.15414	1.1
425.34048	4.4
435.32413	1.4
453.33841	6.0
471.21600	33.8
471.35013	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	471.1812
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
55.05505	2.5
56.96556	14.9
62.85801	1.3
67.05483	4.1
69.07054	3.6
71.64666	1.5
79.05460	2.8
81.07040	8.6
83.08628	1.2
85.06527	1.7
85.90729	1.4
91.05472	3.4
93.07025	4.9
95.08598	10.0
97.10128	1.2
102.92606	2.6
105.07004	6.0
107.08589	8.9
109.10165	6.5
111.08096	2.0
119.08571	6.7
121.10139	5.1
123.11700	2.7
125.09658	1.6
131.08554	2.8
132.97852	1.1
133.10088	6.0
135.11670	4.3
136.93121	3.6
136.94028	2.0
137.13248	1.4
143.08527	2.0
145.10132	3.8
146.99648	3.7
147.11694	3.5
149.09676	1.9
149.13254	1.5
154.94151	18.5
157.10135	1.5
159.11749	3.0
161.13239	1.6
171.03395	1.3
171.11732	1.3
172.95218	77.6
173.09656	2.3
173.13263	4.4
175.14795	3.8
177.16425	1.6
177.95764	1.5
181.05267	1.5
185.13390	1.4
189.16383	5.6
189.56241	1.5
190.16972	1.4
190.96268	67.8
191.17883	1.4
195.96817	11.9
199.14876	2.0
199.92046	1.3
201.16548	1.6
203.06042	1.2
207.17361	6.0
208.97282	1.3
210.96761	8.7
212.98415	1.6
213.97920	7.6
218.98370	2.1
227.17845	1.4
228.97821	27.0
233.98355	2.0
237.39470	1.2
246.98907	6.3
251.99506	4.4
317.17859	44.3
335.18863	23.9
358.20386	11.2
373.20483	2.3
397.14685	5.5
415.15930	2.1
434.31726	1.7
435.32809	3.0
452.31989	1.6
453.17081	39.3
453.33945	8.2
471.18201	100.0
471.34860	22.4
472.18832	1.7
494.19809	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	471.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05512	2.7
57.03424	0.5
59.05006	2.6
65.03917	0.6
67.05502	5.0
69.03425	2.9
69.07066	3.7
70.03732	0.9
70.04140	1.8
71.04974	1.1
72.08142	0.8
79.05493	3.6
81.03408	2.1
81.07050	7.2
83.04960	2.2
83.08601	1.3
85.02885	1.2
85.06519	1.9
91.05463	3.5
93.07040	5.9
93.36308	0.4
95.04981	2.5
95.08595	6.8
97.02860	2.3
97.06512	1.6
97.10181	0.8
99.04508	0.7
99.08079	1.1
101.05979	0.6
105.07024	5.1
107.04932	0.9
107.08586	6.6
109.02864	1.9
109.06507	1.8
109.10147	5.1
111.04433	1.3
111.08083	0.7
111.11650	0.5
117.06986	1.7
119.04950	0.6
119.08570	4.1
121.06487	1.3
121.10127	5.8
123.04462	1.2
123.08044	1.4
123.11720	2.5
125.05966	1.4
125.09628	1.9
127.03901	2.2
127.11145	0.6
129.06972	1.1
131.04868	0.5
131.08525	2.7
133.06493	0.6
133.10117	4.8
133.46133	0.5
135.04416	0.7
135.08038	1.9
135.11676	2.3
137.02316	2.3
137.05969	1.3
137.09584	2.3
139.03871	1.1
139.07509	0.6
139.11176	0.6
143.08537	1.3
143.10654	0.5
145.02803	0.7
145.10106	3.4
147.04416	1.6
147.08060	0.8
147.11661	3.4
149.02332	0.5
149.05994	0.7
149.09595	1.8
149.13260	2.0
151.07545	0.9
151.11211	3.3
157.10159	1.6
159.11699	2.6
161.02353	0.8
161.05891	0.6
161.08252	0.4
161.09650	1.0
161.13240	1.3
163.07486	0.6
163.11156	1.2
163.14815	1.1
165.09094	1.1
165.12701	0.9
167.07047	0.9
169.10085	1.0
171.11681	1.4
173.06000	0.7
173.09631	0.6
173.13231	2.3
175.07497	0.6
175.14818	1.2
177.05467	2.1
177.16214	0.5
179.10817	0.5
181.12212	0.6
185.06088	0.5
185.13245	1.5
187.07599	0.8
187.11211	0.9
187.14827	1.5
189.12746	0.8
189.16396	1.3
191.10683	0.7
191.14328	2.9
191.17918	0.7
195.02904	0.5
195.11696	0.5
197.13283	0.6
199.07611	0.5
199.14789	1.1
201.05507	0.7
201.16331	1.1
203.10754	0.5
203.14302	1.1
203.17911	1.0
205.01477	0.5
205.08574	0.6
207.02910	0.8
207.13803	0.6
209.15416	2.4
211.14865	0.6
213.05496	0.6
213.16302	0.7
217.15907	1.0
219.13823	0.5
225.16479	0.7
227.07074	0.6
233.09694	0.6
245.15189	0.8
255.06372	0.7
263.16449	0.6
283.09384	0.6
295.05591	0.6
299.05469	2.9
305.08109	0.8
307.05908	0.7
309.07587	0.8
310.04706	0.5
311.05569	5.0
312.06006	0.7
319.09604	0.8
321.07394	0.7
323.05478	4.6
323.09103	0.8
324.06287	1.0
325.03430	7.0
325.07043	1.6
327.04987	19.9
334.08389	0.8
335.05600	0.5
335.09167	2.1
337.07047	5.2
337.10580	1.1
339.04907	2.7
339.08655	4.6
341.06503	2.6
343.04535	1.7
347.09097	2.6
349.07013	0.8
349.10950	0.9
351.08557	2.1
351.12347	0.6
352.09521	0.7
353.06381	1.3
353.10266	5.4
359.09241	1.6
361.06903	1.0
363.08542	4.2
365.06363	1.6
365.10196	4.5
367.08017	0.8
375.12540	0.8
377.06174	0.4
377.10236	5.6
378.10861	1.2
379.08115	1.4
381.09634	17.5
382.09833	0.6
389.13809	0.8
393.09235	0.9
393.13443	7.0
395.11304	5.0
399.10693	7.3
399.25089	0.6
407.14893	6.0
407.33047	0.6
417.13284	1.1
425.33859	0.6
435.14526	2.2
435.32053	1.1
451.88724	0.5
453.15414	100.0
453.33041	2.2
454.15796	3.2
471.16336	5.5
471.22012	2.4
471.27563	1.0
471.34845	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	471.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88578	0.2
53.03929	0.6
55.01857	0.8
55.05500	1.2
57.03429	0.4
57.07049	0.6
59.04996	2.8
59.80876	0.3
65.01041	0.2
65.03934	0.5
67.05502	2.8
68.99799	0.5
69.03429	1.4
69.07063	1.5
69.88789	1.8
71.04975	0.7
72.08155	0.3
79.05482	1.9
81.03402	0.8
81.07049	4.4
83.01333	0.6
83.04969	1.1
83.08612	0.3
84.08117	0.3
85.02882	0.9
85.06524	0.8
91.05482	2.4
93.03381	0.3
93.07021	3.2
95.04939	1.5
95.08589	3.7
96.08947	0.3
97.02869	1.3
97.06521	0.7
99.04459	0.3
103.05426	0.5
105.03387	0.5
105.07018	3.3
107.04932	1.4
107.08578	3.2
109.02869	1.1
109.06515	1.8
109.10150	2.1
111.08064	0.6
115.05453	0.6
117.03391	0.4
117.07002	1.0
119.04949	0.5
119.08574	2.5
121.02863	0.5
121.06498	1.1
121.10149	2.5
123.00779	0.4
123.04415	1.3
123.08052	1.2
123.11684	1.3
125.05968	0.5
125.09637	0.6
127.03915	1.1
127.11164	0.3
128.06201	0.3
129.07036	0.6
131.04919	0.4
131.08551	1.2
133.06483	0.8
133.10109	2.1
134.03587	0.5
135.04393	1.6
135.08060	1.1
135.11696	1.5
137.02313	0.6
137.05988	0.8
137.09573	0.8
139.11198	0.3
141.01852	0.3
143.08525	0.6
143.10643	0.3
145.02798	1.3
145.06491	0.6
145.10129	2.0
147.04396	1.4
147.08011	0.8
147.11684	1.6
149.02338	0.4
149.05916	1.8
149.09595	0.6
149.13203	0.8
151.03877	0.3
151.07529	1.8
151.11215	0.5
153.05396	0.3
155.08517	0.3
157.06438	0.5
157.10117	1.1
159.04393	0.8
159.08041	0.6
159.11681	1.3
160.34088	0.3
161.02328	2.1
161.05994	0.7
161.09627	0.5
161.13229	0.8
163.03909	0.6
163.07587	0.8
163.11221	0.5
163.14857	0.5
165.01793	0.5
165.09087	0.9
165.12770	0.4
167.03410	0.4
167.07025	0.6
169.01363	0.3
169.06494	0.5
169.10046	0.3
171.11676	0.4
173.06007	0.5
173.13257	1.2
175.04016	0.5
175.07549	1.2
175.11191	0.6
175.14790	0.6
177.01830	0.8
177.05434	3.0
177.09131	0.3
179.10587	0.4
181.01465	0.4
181.08575	0.4
183.02867	0.5
183.11711	0.3
185.05957	0.9
185.13194	0.4
187.07579	0.7
187.11185	0.4
187.14792	0.8
189.01836	0.9
189.05409	0.8
189.09160	0.5
189.12671	0.4
189.16386	0.7
191.03395	0.6
191.06970	0.6
191.10614	0.7
191.14360	0.4
191.17955	0.6
192.18246	0.4
193.01323	2.2
193.08447	0.3
195.02904	1.2
197.05966	0.3
200.04591	0.3
201.05429	0.6
201.09058	0.3
201.16280	0.5
203.03363	1.4
203.07101	0.4
205.01309	1.6
205.04956	1.5
207.02846	2.4
209.00839	0.9
209.13162	0.4
209.15186	0.4
211.02348	6.4
213.05449	1.4
215.03389	0.4
215.07048	1.0
217.04955	1.0
217.15822	0.4
218.05687	0.5
219.02863	1.1
219.06282	1.4
219.13760	0.3
221.00769	0.5
221.04416	0.5
223.02394	0.6
223.05869	0.6
227.01762	0.4
229.04945	1.2
231.02875	0.8
231.06540	1.1
236.06798	0.5
237.07597	0.6
241.04892	0.5
241.08600	0.4
243.06516	3.8
244.07050	0.3
245.04495	1.0
247.02232	0.3
247.05995	7.3
249.07545	0.6
255.10158	0.6
259.05991	0.3
259.09561	1.5
260.68185	0.3
261.07468	1.8
263.05487	2.1
265.07169	0.9
267.06610	0.4
273.11298	0.6
279.06689	0.4
279.10190	0.5
281.04346	0.3
281.07541	0.3
283.05893	0.4
283.09601	1.1
293.04437	1.0
293.07910	0.4
299.05341	0.5
301.10828	0.7
305.04425	0.8
305.07953	0.4
307.02319	1.2
307.09558	0.6
309.03912	2.6
309.07568	0.7
309.11264	0.4
311.05508	0.9
311.09097	0.6
317.08084	0.3
319.05988	0.8
321.07620	0.9
323.05383	1.7
325.03061	0.4
325.06860	0.5
325.10599	0.5
327.04999	7.5
331.05969	0.4
333.07581	0.8
335.09064	0.9
337.07132	1.1
339.04916	1.2
339.08652	2.0
341.06580	0.8
347.05460	0.5
347.09155	1.7
349.31183	0.4
351.08551	1.0
353.06430	0.5
353.10196	4.3
359.09088	1.0
361.06827	0.5
363.08514	2.7
365.06290	0.5
365.10278	2.1
375.08109	0.5
375.12219	1.0
377.10162	5.4
379.08105	0.8
381.09634	14.1
389.13919	1.1
393.13428	6.9
394.14032	0.4
395.11188	4.8
399.10645	7.2
399.28870	0.6
407.14914	4.1
411.10464	0.5
417.13235	1.1
435.14328	3.6
435.32227	0.6
453.15393	100.0
454.15759	3.9
471.16461	4.9
471.21875	0.4
471.27991	0.3
471.34995	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	469.3309
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
50.14698	1.0
55.05499	3.3
57.03429	1.3
59.65989	1.1
67.05503	8.3
68.69891	1.1
69.03448	1.5
69.07056	6.1
71.64503	1.7
72.08141	2.0
73.84214	1.0
79.05491	8.5
81.07053	17.5
83.08596	1.3
91.05466	5.5
91.16167	1.1
92.71152	1.2
93.07034	16.3
95.04948	2.2
95.08599	17.9
97.06506	3.0
97.10178	2.0
99.08096	5.2
105.07015	11.3
105.34688	1.3
107.04940	2.6
107.08574	17.2
109.06466	1.9
109.10142	14.5
111.08080	1.5
117.06966	2.3
119.04866	1.5
119.08565	12.3
121.06529	1.6
121.10127	24.4
123.08012	1.5
123.11700	10.7
125.05986	15.0
125.09647	1.5
131.08575	2.0
133.10112	11.1
134.98184	4.9
135.07999	2.0
135.11710	5.0
139.07510	14.8
143.08525	1.9
145.10121	8.1
147.08040	2.3
147.11671	12.4
149.09625	2.0
149.13261	14.3
157.10121	3.4
159.08040	2.3
159.11713	4.0
161.09587	2.9
161.13293	3.6
163.11163	1.7
163.14842	2.5
165.09145	2.3
169.10098	2.1
171.11720	3.5
173.09653	2.7
173.13261	4.0
175.11171	32.2
175.14778	1.1
177.09074	1.7
177.16336	1.6
179.10632	1.3
183.11682	1.9
185.13242	2.0
187.14873	7.0
189.12772	2.1
189.16382	4.8
191.10704	3.2
191.17917	10.1
192.37029	1.1
197.13243	2.4
199.14767	1.3
201.12755	1.8
201.16365	1.6
203.14250	1.6
203.17906	1.2
205.15871	9.2
213.16461	1.6
215.14314	20.0
217.15915	2.5
219.13652	1.4
221.15416	1.5
229.15816	1.3
233.15343	100.0
234.15733	2.4
235.16980	1.9
241.19481	1.6
259.17032	1.4
261.18521	5.1
275.19946	1.8
287.20081	3.9
293.67569	1.4
299.20142	2.5
313.21692	2.6
327.23010	2.3
335.25745	1.9
347.09137	1.8
351.08606	5.0
364.73859	1.2
365.10220	2.8
405.31583	1.5
423.32611	34.3
433.30951	2.5
441.33575	6.3
451.32416	7.8
469.22964	3.8
469.33328	37.7
470.21704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.02062	1.0
53.03928	1.4
55.05500	8.8
57.07064	4.2
67.05499	13.8
69.03414	2.2
69.07059	17.2
69.07408	1.9
69.59236	9.4
71.08629	1.4
72.08134	1.3
79.05474	10.2
81.07049	33.7
83.04973	1.8
83.08607	8.3
85.06524	2.2
86.87278	1.2
91.05463	10.4
93.07032	28.1
95.04971	3.1
95.08595	58.2
97.02896	2.2
97.06534	2.5
97.10183	3.7
102.72717	1.3
105.07015	46.4
107.08578	38.9
109.06502	3.9
109.10143	33.3
111.11701	1.7
117.06996	3.3
119.08567	42.7
121.10120	34.7
123.04510	1.5
123.08089	1.8
123.11686	17.1
125.09625	2.5
127.03905	1.4
129.07008	3.2
131.08549	23.3
133.10109	28.9
133.11052	1.7
135.11676	29.3
137.05988	1.5
137.09608	2.0
137.13197	6.9
139.07513	1.4
143.08556	4.6
145.10112	24.4
147.04414	2.3
147.11665	23.5
149.05954	4.7
149.13239	24.1
153.09155	1.3
157.10123	5.8
158.10854	6.5
159.11662	33.3
159.12990	1.7
161.13242	18.2
163.14798	12.2
167.07071	2.0
169.10074	2.7
171.11667	9.3
173.13243	79.8
175.07574	2.4
175.14810	11.9
177.09105	1.6
177.16380	4.2
179.10667	1.6
183.11664	1.7
185.13243	11.6
187.14803	83.6
189.16359	12.5
191.17926	100.0
192.18245	1.9
193.12253	4.2
197.13237	2.9
199.14836	5.6
201.16380	6.1
203.17929	37.6
205.12308	3.0
205.16034	1.7
205.19489	18.4
207.13809	3.6
213.16301	2.2
215.14302	2.0
215.17964	5.8
217.12216	2.0
217.19510	11.0
219.13776	54.0
225.16415	1.6
227.17943	2.9
231.13794	11.7
233.15329	89.2
240.37097	1.2
240.40225	1.2
243.13963	1.4
245.15349	6.7
247.16956	2.2
257.15402	1.3
259.16919	5.0
261.18503	4.8
267.21017	1.2
271.16791	1.5
273.18402	3.0
275.20197	1.3
277.14389	2.5
285.18716	1.8
339.23242	1.9
357.09680	1.7
377.32016	3.3
379.11887	1.9
423.32565	23.9
433.33545	1.5
451.32349	2.3
469.19180	2.0
469.33115	61.2
470.33719	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	469.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11158	1.4
63.90549	1.3
64.73555	1.1
68.98859	1.2
69.70230	5.3
69.70648	3.8
81.07050	1.3
98.21399	2.1
109.72015	1.3
118.73080	1.2
123.29417	1.3
172.55847	1.4
187.03661	100.0
205.01945	1.3
205.04813	2.8
228.06279	6.7
446.87537	1.5
469.32858	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01865	4.2
55.05503	13.3
55.87170	1.9
57.03429	2.1
57.07067	6.0
59.04988	2.1
67.05500	23.9
69.03419	12.1
69.07058	27.7
70.18513	10.3
71.04987	5.3
71.93542	1.9
72.08148	9.0
79.05495	19.0
81.03434	4.6
81.07053	54.5
83.04971	9.6
83.08622	11.2
84.08131	5.2
85.02917	6.2
85.06553	5.9
85.32735	1.8
88.33537	1.6
91.05464	22.2
93.07035	46.7
95.04967	8.2
95.08598	69.0
97.02896	9.0
97.06533	7.5
97.10171	7.9
98.20852	2.4
99.04444	3.1
103.05439	2.3
105.07020	57.2
107.04971	2.3
107.08585	53.1
109.02863	4.1
109.06514	8.3
109.10146	47.1
111.04475	3.8
111.08074	4.5
117.07041	5.8
119.08574	55.0
121.06503	5.2
121.10136	44.7
121.11018	2.6
123.04424	5.5
123.08070	6.5
123.11696	19.0
125.06014	5.0
125.09621	6.3
127.03909	8.7
128.06232	3.1
128.41269	2.0
129.07011	4.0
131.08557	26.9
133.06488	2.7
133.10123	38.3
135.08034	5.5
135.11688	34.4
137.05981	5.9
137.09615	5.4
137.13249	7.7
139.07574	3.4
139.11174	3.8
142.07857	1.9
143.08582	8.6
144.09317	3.1
145.10120	29.6
147.04436	7.4
147.11676	29.7
149.05984	6.1
149.09598	3.1
149.13245	28.1
151.03909	3.2
151.07578	3.3
153.01849	6.5
153.05481	2.8
155.08510	2.4
157.10101	11.8
158.10884	7.0
159.04446	2.1
159.11690	35.6
161.05998	2.9
161.09634	3.7
161.13255	24.4
163.07515	2.9
163.11211	2.5
163.14780	13.9
165.12747	2.5
167.07018	4.7
169.10141	4.0
171.11734	13.5
173.09766	3.0
173.13254	72.1
174.13634	2.2
175.07521	2.2
175.11151	2.4
175.14796	15.4
177.05556	2.0
177.09195	3.6
177.16399	6.9
179.10692	2.6
181.12254	3.0
183.11707	3.3
185.09627	2.0
185.13228	9.8
187.11201	2.7
187.14799	86.5
189.09180	2.5
189.16354	13.3
191.10780	3.5
191.14301	3.2
191.17934	100.0
193.12254	7.0
197.13278	5.1
199.14842	6.2
201.09041	2.1
201.16321	5.2
203.17929	37.0
205.12228	3.7
205.19469	15.8
207.13852	4.3
213.05498	7.5
213.16382	5.5
215.14273	2.4
215.17989	4.8
217.12231	3.4
217.19579	8.7
219.13782	49.5
225.16432	4.9
227.17929	3.2
231.13748	9.0
233.15350	93.3
245.15433	7.3
247.16933	3.8
259.16995	7.2
261.18475	4.9
269.22598	2.3
271.16953	4.6
273.18546	3.5
277.14307	2.5
297.07593	2.0
310.04541	1.9
361.10779	3.0
364.09448	3.7
379.11844	11.8
415.32474	3.6
423.32556	22.5
433.16800	10.8
433.33719	2.9
451.17993	15.6
451.32202	6.2
469.15018	8.4
469.19217	2.4
469.26758	4.1
469.33154	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.6
65.98151	0.4
69.03410	1.0
69.32009	0.5
70.06572	2.1
71.30531	1.1
72.08144	82.1
73.06547	0.5
74.82482	0.4
81.03363	0.5
82.02903	0.7
84.08126	1.7
85.02881	1.8
86.06049	0.5
89.10777	9.8
91.05466	5.8
97.02856	1.1
98.02397	1.1
98.06030	1.3
98.09670	0.8
107.04964	0.5
109.02911	0.5
109.44330	0.5
110.02380	16.9
115.08664	1.3
116.07095	0.5
119.04922	17.2
127.03931	1.0
128.10651	0.9
136.07570	2.0
138.05513	0.5
143.14574	0.5
144.10110	0.5
145.02856	1.2
146.06021	0.8
147.04384	100.0
148.04697	3.2
151.08656	3.6
152.07034	18.0
161.02802	0.4
169.09705	9.9
173.03000	0.7
176.10733	0.6
177.05449	2.3
185.02846	0.6
191.36960	0.5
199.57088	0.6
207.02745	0.5
217.13341	6.4
217.79109	0.4
218.11725	24.7
219.07970	0.9
223.14511	0.5
235.14372	18.8
236.14877	0.6
237.09209	0.7
239.18655	0.8
245.05029	1.4
247.07222	0.6
305.67386	0.5
306.96945	0.5
307.13141	0.5
307.16425	0.9
308.13562	0.6
308.16928	0.7
363.16946	0.9
380.19901	0.6
381.18005	15.8
381.22849	0.8
382.17908	1.0
451.26959	5.0
452.25436	4.8
452.93918	0.5
469.13138	7.4
469.28064	87.7
470.12274	0.6
470.22482	1.3
470.28314	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11158	1.4
63.90549	1.3
64.73555	1.1
68.98859	1.2
69.70230	5.3
69.70648	3.8
81.07050	1.3
98.21399	2.1
109.72015	1.3
118.73080	1.2
123.29417	1.3
172.55847	1.4
187.03661	100.0
205.01945	1.3
205.04813	2.8
228.06279	6.7
446.87537	1.5
469.32858	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88896	0.2
55.05509	0.9
70.06589	0.7
71.25504	0.6
71.25890	0.4
72.08148	100.0
73.08492	0.4
80.01357	0.3
82.02941	0.8
89.10780	4.4
91.05471	1.2
97.02863	0.5
98.02393	1.3
98.06052	0.5
107.04977	0.4
110.02390	42.4
115.08660	0.4
119.04918	3.5
129.05504	0.3
145.06482	0.5
147.03204	0.7
147.04395	16.7
151.08649	2.1
152.07051	37.6
153.07434	0.5
157.25345	0.3
161.12834	0.3
169.09711	24.0
213.09164	0.4
217.13286	1.7
218.11723	2.2
235.03629	0.3
235.14406	3.5
237.09140	0.4
307.16483	0.7
307.63376	0.3
360.82629	0.3
363.16827	0.4
364.15506	1.2
381.18048	46.0
382.18420	1.7
441.34586	0.3
451.26965	2.3
452.25610	0.6
469.28067	40.8
470.28403	1.7
481.53879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.8
55.57987	0.3
65.03920	0.5
69.03425	0.6
69.91136	1.5
70.06582	0.7
72.08147	44.2
73.56924	0.3
83.04966	0.3
84.08138	0.5
85.02895	1.1
86.06076	0.3
86.09702	0.4
89.10784	12.7
91.05477	5.7
97.02888	0.5
98.06059	1.2
98.09674	0.8
98.21441	0.3
98.97591	0.5
101.06040	0.3
115.08688	1.3
116.07076	0.7
116.98652	0.3
119.04928	16.3
123.04474	0.3
127.03912	0.6
134.99625	0.3
136.07596	0.5
143.00267	0.3
147.04393	100.0
148.04745	1.6
152.07080	0.5
158.22336	0.3
164.07036	0.3
165.06177	0.3
193.13316	0.3
217.13335	1.3
218.11736	30.2
219.01874	0.4
219.12044	0.5
225.31711	0.3
235.14389	23.8
236.14760	0.4
237.02859	0.7
241.91815	0.3
261.12494	0.4
279.09262	0.6
281.09082	0.4
295.06924	0.8
307.16391	0.3
308.17130	0.7
321.10150	0.3
324.74982	0.3
380.19644	0.8
381.18073	2.2
398.20621	0.6
451.27109	1.2
452.25531	3.9
453.07272	0.3
469.28067	61.0
470.22485	1.1
470.28360	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	469.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42217	1.2
53.03937	4.2
55.01872	7.9
55.05504	8.1
57.03428	5.3
57.07062	1.9
60.04522	1.6
61.02933	6.4
65.03934	2.8
65.97460	1.3
67.05495	8.1
69.03426	23.9
69.07054	4.0
69.58054	5.7
69.58492	4.8
70.06577	8.9
71.04990	8.0
72.08152	86.9
73.02906	3.8
73.82893	1.3
73.92905	1.7
79.05479	9.8
81.03413	13.8
81.07046	12.5
83.04997	6.6
83.08617	2.5
84.04504	1.7
84.08144	11.0
85.02898	35.3
85.06528	5.1
86.09701	8.9
87.04440	2.0
89.10781	4.9
90.09662	1.4
91.03970	2.2
91.05469	12.1
93.03390	1.7
93.07025	13.4
95.04980	9.7
95.08594	24.1
96.08092	3.7
97.02895	14.4
97.06503	3.2
98.02428	1.4
98.06055	2.2
98.09684	2.7
99.04438	7.3
99.08047	1.6
100.11249	6.1
101.06002	3.2
103.03978	1.3
105.07022	13.8
107.04955	10.6
107.08579	13.2
109.02893	9.0
109.06519	8.9
109.10153	7.3
110.02402	45.7
110.03143	2.9
110.07164	6.5
111.04419	3.5
115.03883	1.8
115.05420	1.6
115.07590	1.4
115.08661	1.4
117.06998	3.0
118.06536	2.1
119.04932	16.5
119.08572	12.6
121.02866	27.3
121.06489	6.5
121.10138	23.3
123.04441	5.3
123.08060	11.4
123.11731	3.2
124.07630	2.0
125.05962	2.6
125.09624	2.3
127.03925	12.9
128.06197	2.2
128.10735	2.4
129.05452	4.0
129.06985	3.7
131.04898	1.8
131.08563	8.8
133.06483	6.2
133.10124	9.8
135.04420	3.4
135.08063	5.6
135.11717	9.4
137.05959	4.6
139.11159	2.9
141.06982	1.6
143.08588	5.0
145.02858	3.0
145.04967	4.3
145.06450	4.4
145.07495	1.9
145.10123	8.4
147.04393	42.9
147.08035	3.6
147.09135	3.7
147.11674	5.7
149.05981	4.9
149.09628	3.7
151.03903	2.5
151.07541	7.6
151.08679	4.3
152.07050	29.5
155.07005	3.7
155.08519	3.6
157.06474	2.1
157.10094	5.2
159.04398	2.5
159.08057	5.8
159.11729	6.9
161.05969	1.6
161.09645	5.1
161.13283	2.9
163.03894	2.3
163.11157	1.8
164.07065	2.9
167.07069	8.6
167.08322	1.9
169.08528	2.7
169.09854	11.4
171.08067	3.6
171.11713	2.9
172.08801	2.8
173.05843	1.7
173.07150	4.0
173.09622	5.7
173.13257	6.0
175.03918	5.4
175.08675	4.5
175.11113	1.9
175.14801	3.7
177.05443	4.3
177.09000	2.1
179.08545	2.0
181.05005	3.7
181.09984	1.5
183.06540	2.6
183.08058	1.6
183.11702	4.2
185.05962	1.7
185.09625	3.3
185.13289	1.8
186.10349	1.9
187.03914	2.4
187.11166	9.0
187.14836	4.0
188.06935	1.5
189.09068	2.5
191.08168	40.6
191.10577	2.9
193.04877	2.3
194.52896	1.4
195.10100	3.0
197.09639	6.9
197.13284	2.0
199.14793	2.2
201.05519	4.2
203.03398	28.2
203.14294	5.3
203.17873	1.6
204.03857	2.8
205.04941	3.5
205.15892	1.8
207.02728	1.7
207.06497	2.0
209.11711	4.4
211.11200	4.1
211.14807	2.3
213.05499	3.0
213.12744	4.0
215.03413	2.8
215.10645	20.4
215.14133	2.0
217.05002	7.6
217.13326	4.7
218.11803	10.1
221.04448	15.7
225.16266	4.3
227.14328	6.5
229.04877	3.0
229.15897	3.1
231.06525	2.9
231.13805	1.8
233.04352	2.8
233.11710	3.3
235.14490	10.2
241.04994	4.3
243.06483	1.7
243.17366	3.0
253.15788	15.3
253.21674	2.4
265.08667	1.5
267.06586	1.5
269.04449	3.4
271.16916	23.6
271.22580	5.1
279.06445	9.1
280.07285	3.7
281.08099	2.6
285.14911	1.4
289.12158	2.2
289.17960	20.6
290.15933	5.2
292.07260	1.8
293.08102	9.3
294.08655	2.6
295.06149	2.6
295.09537	3.0
305.07944	2.6
307.06027	18.3
307.09579	2.3
307.12854	17.8
307.18860	11.3
308.06750	22.1
309.07504	11.4
310.08096	1.6
319.06049	1.6
320.06812	1.5
321.07565	67.8
322.08209	21.6
323.09039	5.2
325.13876	8.9
331.12903	1.9
333.07495	15.7
334.08136	2.9
335.09143	21.3
337.07068	5.6
343.09711	2.6
345.07559	1.5
346.08441	2.4
347.08981	9.3
349.07034	37.2
349.10651	3.2
349.13965	2.7
350.07550	4.1
351.04385	1.6
351.08582	26.7
352.08829	3.4
355.08173	2.8
359.09180	7.3
361.07074	9.8
363.08569	16.2
364.08887	3.0
375.08725	15.3
376.09039	2.0
377.10300	6.8
379.08093	35.2
380.08514	4.1
381.09851	2.7
381.18109	18.8
387.08517	11.9
391.08087	3.6
403.08060	14.9
404.08554	2.1
405.09601	20.8
406.09900	2.9
409.09113	15.2
415.08032	6.4
415.14868	2.7
433.09164	80.4
433.15060	3.6
434.09448	7.2
445.00055	1.4
451.10260	100.0
451.16574	6.1
451.26822	3.7
451.32986	4.8
452.10574	9.6
452.17053	5.5
452.25085	2.4
469.11209	75.2
469.19675	24.4
469.27997	46.6
469.33911	3.5
470.11539	7.7
470.19424	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	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01863	2.6
55.05503	4.2
55.47821	0.8
56.05024	0.8
57.03423	2.4
57.07059	1.5
57.19954	0.9
61.02909	2.0
67.05489	3.4
69.03424	6.5
69.07062	1.5
69.71297	4.4
69.71709	1.5
70.06577	6.9
71.04991	2.1
72.08148	100.0
79.05484	2.7
80.51549	0.9
81.03408	2.9
81.07055	5.9
83.04973	2.4
84.08122	1.9
85.02895	15.8
85.06538	5.1
86.09686	1.4
87.04436	1.1
89.10796	6.4
91.05467	6.8
93.07039	3.7
95.04956	3.3
95.08596	9.6
97.02888	6.4
97.06516	0.9
97.73042	0.8
98.02402	1.6
98.06046	2.1
98.20726	1.3
99.04434	1.9
99.75802	0.8
103.05487	1.0
105.07040	6.4
107.04940	4.9
107.08569	5.2
109.02863	1.9
109.06502	3.4
109.10155	3.8
110.02388	36.9
111.04449	3.4
115.05454	1.4
115.08678	1.4
117.07021	0.9
119.04931	9.0
119.08559	6.8
120.08128	1.7
121.02859	18.5
121.06512	3.5
121.10120	11.1
122.06038	0.9
123.04434	1.7
123.08059	5.7
123.11664	0.9
124.07576	1.5
127.03907	3.3
129.05499	1.1
129.06995	2.6
129.10292	0.8
129.93718	0.7
131.04916	1.2
131.08549	3.7
133.06479	2.4
133.10056	3.9
135.04459	1.0
135.08040	2.3
135.11708	2.4
136.07579	0.9
137.05969	1.0
137.09558	1.2
139.11168	1.9
141.07054	0.8
143.08534	1.6
144.09259	1.2
145.02884	2.8
145.04947	1.9
145.06485	2.2
145.10104	5.9
146.06078	0.9
147.04393	39.8
147.08041	2.0
147.11682	1.8
149.05983	2.9
149.09596	1.8
151.07520	4.1
151.08676	5.2
152.07054	31.5
155.07043	2.4
155.08467	1.8
156.09435	1.1
157.06601	0.8
157.10042	1.9
159.04407	1.1
159.08081	3.3
159.11696	3.6
160.08827	1.6
161.05998	1.3
161.09604	2.4
161.13258	0.8
163.03889	2.0
167.07092	4.3
167.08345	1.0
169.09726	18.2
171.08081	1.6
171.11650	1.9
172.08800	1.3
173.09625	3.5
173.13260	2.5
175.03947	2.4
175.11165	1.4
175.14876	1.4
177.05428	1.1
177.09143	1.5
183.06616	1.8
183.08058	1.0
183.11737	2.9
185.09642	1.1
185.13345	1.3
187.03874	1.8
187.11211	2.9
187.14865	2.3
189.01772	1.1
189.27362	0.9
191.03410	1.0
191.10725	1.4
191.14320	0.9
193.10103	0.9
195.10089	1.2
195.11725	1.7
196.12474	1.1
197.06017	1.0
197.09604	4.6
197.13321	1.4
201.05507	3.2
201.12794	1.0
203.03377	21.8
203.05171	1.6
203.14391	2.0
204.04063	1.3
205.05031	1.5
208.03726	1.0
209.11734	2.9
211.11159	1.9
211.14841	1.6
213.05481	1.1
213.12814	1.4
215.03529	1.1
215.10645	12.0
215.14154	0.9
217.04939	5.1
217.13364	6.2
218.11726	8.3
219.06468	1.2
221.04424	8.9
225.16385	2.3
227.14336	2.6
229.04977	1.7
229.15820	1.7
231.03011	0.9
233.04482	2.7
233.11742	2.1
235.14418	7.3
237.09177	1.2
239.18648	1.2
241.04904	2.1
243.06516	1.0
243.17418	1.5
245.15427	1.3
247.16843	1.0
253.15884	10.4
269.04300	1.1
271.05902	1.2
271.16891	15.1
271.22693	2.4
279.06479	5.1
281.08109	1.4
289.17899	11.2
293.08023	6.2
294.08829	1.8
295.06036	1.7
295.09607	1.9
305.08136	1.9
307.05896	24.4
307.09491	2.4
307.19073	5.1
308.06702	15.8
308.09766	1.5
309.07449	6.8
317.07999	1.1
320.06824	0.9
321.07541	48.8
322.08179	16.1
323.09039	3.3
333.07520	10.5
334.08041	2.4
335.09079	15.4
336.06229	2.3
336.09732	1.5
337.07004	2.7
341.10989	0.9
343.09573	0.9
345.07489	1.4
346.08405	1.6
347.09039	6.1
349.06985	25.2
349.10724	3.1
350.07547	3.4
351.04297	1.2
351.08585	21.2
352.08969	2.0
359.09113	5.7
361.07144	6.2
362.07556	1.2
363.08649	8.8
363.16830	1.2
364.08554	1.1
373.06808	1.5
375.08594	10.4
376.09308	1.1
377.10403	4.3
379.08078	20.3
380.08298	1.7
381.10107	1.8
381.17984	26.4
387.08661	9.6
388.09119	1.0
391.08026	1.9
403.08090	10.0
404.08383	1.5
405.09695	13.6
406.09998	1.3
409.09122	9.2
410.09430	1.2
415.08014	4.4
433.09161	57.7
434.09503	6.2
451.10211	68.0
451.27316	6.0
452.10486	7.9
452.25510	3.2
469.11243	59.6
469.16891	2.4
469.28101	61.5
470.11481	5.8
470.28281	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	469.1856
Annotation	Erythbigenone A
Peak:m/z	Relative Intensity
53.03919	0.8
55.05515	1.6
56.39228	0.8
65.05930	0.7
67.05492	2.7
69.07063	1.5
70.75572	1.5
70.75950	1.3
72.08150	1.2
73.84332	0.7
79.05487	1.7
81.03451	1.0
81.07050	3.2
81.52781	0.8
83.04969	0.8
83.08611	0.8
85.02897	0.9
88.37041	0.7
91.05480	2.6
93.07047	3.2
95.04913	0.9
95.08583	3.9
105.07010	2.8
107.08570	4.4
109.06535	1.5
109.10137	2.5
117.07008	1.2
119.08583	3.1
121.06503	1.1
121.10148	2.8
123.04428	2.3
123.11728	1.2
133.06558	0.7
133.10097	2.4
134.03630	2.7
135.04381	0.7
135.11679	1.7
137.05978	1.2
139.11206	0.9
143.08568	1.2
145.06433	1.0
145.10091	1.6
147.04431	1.8
147.08031	0.9
147.11751	1.6
149.09607	1.2
149.13226	0.8
151.03889	1.6
151.07584	0.8
157.10135	1.4
159.11710	2.1
161.09540	1.1
161.13301	1.3
173.09544	0.8
173.13274	1.6
175.07526	1.8
175.14769	0.7
183.02864	0.8
183.11761	1.1
187.14807	1.0
189.05412	1.4
189.12787	0.8
189.16353	0.9
195.02846	0.7
201.12752	0.9
210.06764	1.0
213.05511	3.5
231.06558	1.2
247.07751	0.8
273.09332	1.4
289.08609	1.1
290.09451	0.9
293.07977	1.0
301.08691	1.6
307.05927	0.9
307.09561	1.2
309.07666	0.8
310.04630	7.1
313.06998	1.0
318.08835	3.5
321.07568	1.4
322.04803	2.3
322.08206	0.9
324.06287	1.4
325.07062	16.9
333.11298	3.2
335.08984	1.1
336.10132	1.3
337.07028	4.3
337.10629	1.0
339.08646	1.5
341.06610	1.1
346.08334	7.5
348.09708	0.9
349.07065	1.3
349.10800	1.0
350.07852	1.4
351.08612	2.0
361.10699	22.0
363.08563	1.0
364.09418	11.2
365.09976	1.5
373.10733	2.1
375.08255	1.0
375.12473	1.1
377.10040	1.3
378.10797	1.5
379.11765	43.3
380.12320	1.1
381.13403	1.1
381.17725	1.1
385.10464	1.1
391.11600	1.6
393.13345	2.5
397.12762	8.6
409.13107	0.9
413.12347	2.0
415.15155	2.4
418.14029	2.4
433.16452	9.9
451.17526	100.0
452.17880	1.4
469.18753	20.4
469.25793	1.2
469.27377	1.0
469.33957	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1858
Annotation	Nigrasin J
Peak:m/z	Relative Intensity
55.05498	0.9
56.87112	0.4
62.11155	0.4
67.05499	1.4
68.95191	0.5
69.07041	1.4
70.32394	1.0
70.32807	1.5
72.08167	2.2
79.05475	1.5
81.07036	2.0
83.04953	0.4
83.08615	1.0
91.05455	1.1
93.07028	1.4
95.04942	0.5
95.08580	1.7
105.07024	1.5
106.14518	0.4
107.04947	0.5
107.08597	1.6
108.35924	0.5
109.02851	0.4
109.06500	0.6
109.10132	1.1
115.05378	0.6
117.06999	0.6
119.04895	0.7
119.08553	1.4
121.10122	1.1
122.03651	0.6
123.08075	0.9
123.11719	0.8
127.03867	0.4
129.07013	0.5
131.08546	0.9
133.02837	1.0
133.10147	1.3
134.03641	0.5
135.04427	0.8
135.11690	0.9
137.05893	1.0
145.06387	0.4
145.10115	0.7
147.04424	2.2
147.11688	0.6
151.03880	2.2
159.04411	1.2
159.11693	1.2
163.03899	0.5
165.05513	1.1
169.06392	0.5
169.09969	0.5
171.08012	0.6
173.13264	0.7
175.07550	0.7
175.14871	0.6
177.09019	0.6
183.08005	0.5
185.06024	0.4
187.07631	0.7
189.05379	0.7
189.16417	0.5
194.59752	0.4
195.08107	0.5
197.05878	0.5
201.05516	0.5
203.17976	0.5
211.07573	0.7
212.08354	0.4
213.05432	3.2
221.09705	0.6
223.07610	0.5
223.11064	0.4
225.05571	0.7
225.09102	1.2
239.10710	0.6
251.07051	1.0
253.08690	1.2
261.09293	0.5
267.10141	1.1
269.08154	1.2
277.08606	0.4
287.09314	0.5
289.08597	0.7
291.10056	0.6
301.08774	1.0
301.12076	0.8
307.09601	1.0
309.07675	0.5
310.04785	1.0
315.10269	0.6
318.08929	1.1
319.09708	0.9
319.13309	0.7
322.04846	0.6
325.07062	2.7
329.11716	1.0
333.07477	0.6
333.11121	1.0
335.09143	0.7
336.06390	0.6
336.10141	0.6
337.06998	0.8
343.13019	0.6
345.11118	0.5
346.08279	3.5
347.09070	1.0
348.09891	1.0
349.06720	0.6
349.10754	1.3
349.16946	0.6
351.08582	1.7
357.11325	1.6
360.09860	0.6
361.10696	4.4
361.14539	0.7
363.12207	0.7
364.09335	4.5
365.10254	0.7
367.11710	0.6
370.08475	0.7
373.10611	1.6
375.12308	3.2
376.09384	0.9
377.10089	0.9
378.10983	0.8
379.11743	15.9
381.12570	1.1
381.17615	0.5
382.11819	0.7
385.10657	3.1
386.11322	0.9
391.11554	2.7
397.13110	1.8
400.13187	2.8
401.13568	0.7
403.11682	3.3
405.12912	0.8
415.15344	5.0
418.14084	8.3
433.16446	100.0
434.17017	3.2
451.17609	12.7
451.32242	1.7
469.18182	3.0
469.27908	1.4
469.34055	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	469.1853
Annotation	Erythbigenone A
Peak:m/z	Relative Intensity
55.05503	1.1
55.81136	0.5
57.07050	0.7
59.04970	0.7
61.15907	0.5
65.03931	0.6
67.05498	1.6
69.03428	1.2
69.07067	1.8
69.85654	3.8
72.08141	1.6
79.05489	1.3
81.07060	3.4
83.04980	0.9
83.08607	0.6
85.02891	0.9
85.06511	0.7
91.05469	1.8
93.07040	2.2
95.04922	0.6
95.08578	3.0
97.02869	0.6
97.06511	0.6
97.10165	0.6
101.78206	0.6
105.07014	1.8
107.08584	2.6
109.06522	0.7
109.10152	1.8
117.06993	1.4
119.08576	2.8
120.32958	0.5
121.06515	0.8
121.10129	2.1
123.04433	1.4
123.08096	0.6
123.11674	1.3
129.06981	0.6
131.08603	1.6
133.02791	0.7
133.10118	1.7
134.03635	1.9
135.11691	1.7
137.05977	1.4
137.09572	0.7
143.08627	1.3
145.10114	2.1
147.04405	1.3
147.11713	1.8
149.05984	0.7
149.09685	1.1
149.13271	0.7
151.03891	1.5
157.10138	1.0
159.11722	1.5
161.09627	1.0
161.13251	0.6
165.05499	0.7
169.10078	0.6
173.09586	0.6
173.13295	1.0
175.07570	1.1
185.06024	0.7
185.13281	0.7
187.07584	0.7
189.05490	1.6
189.16415	0.9
213.05482	1.6
230.05780	0.8
233.15417	0.7
239.06908	0.7
245.09520	1.3
261.09143	0.8
265.08594	0.7
273.09030	1.2
289.08725	1.2
290.09341	1.4
301.08646	1.2
305.08176	0.9
307.09753	1.0
310.04678	5.4
318.08911	2.8
321.07642	0.8
322.04730	2.0
323.09109	0.9
324.06094	1.2
325.07019	15.3
329.08072	2.1
333.11243	3.6
335.09149	1.2
336.09897	1.1
337.07089	2.9
337.10696	1.7
339.08578	1.1
341.06964	0.8
345.07501	1.7
346.08405	6.7
347.09171	1.2
349.07016	1.4
351.08606	1.6
361.06250	1.3
361.10654	20.0
363.08563	1.8
364.09409	9.8
365.10223	1.4
367.11819	1.3
373.10715	2.8
375.08652	1.4
377.10275	0.8
378.11105	1.0
379.11737	39.2
380.12277	0.8
385.10672	0.9
390.11023	0.9
391.11713	2.3
393.13300	3.2
395.11237	1.0
397.12735	8.5
403.11273	0.7
413.12198	1.4
415.15292	2.1
418.14154	1.7
433.16522	8.7
433.32169	0.6
437.15967	0.9
451.17499	100.0
451.31378	2.0
452.17822	2.1
469.18924	15.1
469.28082	1.1
469.34280	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
59.05001	8.5
64.18005	0.3
67.05488	1.2
69.07071	2.5
71.04967	0.5
71.62295	0.5
72.08147	1.5
81.07052	2.1
83.04967	0.5
84.14254	0.4
85.02901	0.8
91.05467	0.9
93.07025	1.2
95.04937	0.6
95.08598	1.8
105.03416	0.5
105.07028	1.3
107.04970	0.5
107.08588	1.8
109.06529	0.6
109.10159	1.6
117.07014	0.5
119.08569	1.8
121.10149	1.1
121.79830	0.4
123.08073	0.4
123.11664	0.9
127.85867	0.4
129.06956	0.4
131.08565	0.6
133.10135	0.8
135.08182	0.4
135.11670	1.0
144.36719	0.4
145.10133	0.8
147.04424	1.8
147.08022	0.9
147.11748	0.5
153.05481	0.4
157.10104	0.5
159.11696	0.8
161.02367	0.4
161.13272	0.5
171.11629	0.5
173.13339	0.5
175.07555	1.2
176.01070	0.5
177.05469	0.7
183.11697	0.6
185.06087	0.6
187.14844	0.5
189.01794	1.9
189.16296	0.5
193.04984	0.4
194.02101	1.2
197.05859	0.4
198.06787	0.5
201.05415	0.7
207.02855	2.7
213.16325	0.4
218.11653	0.4
229.04976	1.2
238.07928	0.5
243.06509	0.7
253.04976	0.6
254.05617	0.5
265.04861	2.3
266.05670	0.8
279.06451	0.7
279.09860	0.4
279.49445	0.4
293.04419	1.5
294.05109	1.3
295.06342	0.5
305.04416	1.2
307.09525	1.7
309.07513	0.6
310.04645	2.8
317.08124	1.0
318.08749	0.6
319.05826	0.4
321.04120	0.4
322.04767	7.8
323.05493	2.6
325.07040	10.9
333.11096	1.9
335.05493	0.6
335.09076	4.3
337.07050	19.4
338.07224	0.9
346.08215	2.6
349.10550	0.6
361.10635	3.3
363.08591	5.7
378.10977	4.2
379.11682	0.8
381.18097	0.8
393.13300	100.0
394.13663	2.2
395.11075	0.5
413.11917	0.5
433.16479	1.2
451.17920	0.9
451.32138	1.6
469.18689	1.9
469.33920	3.8
482.13535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1855
Annotation	Erythbigenone A
Peak:m/z	Relative Intensity
50.72789	0.7
55.05496	1.1
59.04987	1.1
66.67929	0.6
67.05460	1.1
69.07037	0.7
69.89371	0.8
70.88494	2.3
72.08182	0.7
81.07029	1.0
95.08609	1.0
99.59176	0.6
109.91596	0.7
117.03343	1.8
119.08529	0.8
131.08578	0.9
134.03613	3.1
149.05905	0.7
151.03853	0.9
159.08096	0.9
159.11694	1.0
175.41420	0.7
189.05473	1.1
213.05443	1.8
245.09546	1.1
255.06598	1.0
275.06943	0.9
289.08615	1.4
290.09497	1.2
293.07822	0.9
298.04660	4.5
298.07999	1.6
307.09702	1.1
309.07428	1.0
310.04800	6.9
312.06046	1.0
313.07022	4.2
317.08035	0.9
318.08850	2.9
322.04672	2.0
322.08090	1.1
324.02551	3.0
325.07074	10.8
326.04202	16.1
326.07883	1.4
329.08072	1.6
333.11322	4.7
336.09940	1.0
337.06973	4.6
337.10718	2.0
338.07776	10.6
339.04993	7.6
339.08560	1.4
340.05600	2.9
341.06525	53.3
342.06915	1.5
345.07428	0.7
346.08334	9.0
350.07809	1.4
351.08566	2.6
352.09393	2.0
353.10144	24.2
355.08078	7.4
357.06073	1.4
361.10641	22.6
363.08615	1.6
364.09302	8.9
365.10016	2.1
367.11804	7.2
379.11731	77.5
380.12134	1.8
381.24594	0.8
395.11356	1.8
397.12845	1.2
409.12830	1.0
413.12271	100.0
414.12793	1.9
433.16498	2.4
451.17456	16.8
469.18539	66.1
469.32971	2.6
470.18777	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	469.1853
Annotation	Erythbigenone A
Peak:m/z	Relative Intensity
55.05503	0.7
56.96577	0.4
59.04974	0.5
62.33455	0.3
64.93807	0.3
67.05489	1.4
69.03387	0.3
69.07051	1.0
70.15374	1.0
70.15780	0.8
71.67285	0.3
72.08141	0.4
79.05488	0.8
80.69088	0.4
81.07044	2.0
83.04971	0.5
85.02911	0.7
85.06538	0.5
91.05477	1.1
93.07024	1.5
95.04971	0.7
95.08601	1.9
100.20801	0.3
103.05456	0.6
105.07015	1.2
107.08586	1.7
109.06502	0.4
109.10138	1.5
117.03384	0.5
117.07007	0.6
119.08574	1.2
121.06531	0.6
121.10149	1.6
123.08040	0.4
127.03956	0.4
129.06992	0.6
131.04938	0.9
131.08588	0.7
133.02827	0.9
133.10112	1.0
134.03645	1.0
135.04346	0.4
135.08057	0.4
135.11636	0.8
137.02409	0.5
137.05972	2.1
143.08533	0.7
145.10133	1.0
147.04428	0.7
147.11678	0.6
149.09622	0.6
151.03868	1.1
157.06465	0.6
157.10092	0.5
159.04427	1.9
159.11732	0.5
161.13309	0.5
163.03758	0.4
165.05515	1.0
171.08031	0.7
171.11719	0.4
173.09686	0.5
173.13257	0.4
175.07620	0.5
177.09088	0.3
185.06010	0.9
185.13246	0.7
187.07549	1.5
187.14835	0.5
189.01833	0.4
189.05510	1.0
195.02908	0.5
201.16324	0.5
205.12158	0.5
213.05437	6.4
225.16364	0.4
235.11148	0.4
239.07043	0.5
245.04530	0.4
247.07285	0.4
251.07100	0.6
253.05034	0.7
255.06396	0.7
265.04968	0.5
269.08191	0.6
279.09976	0.4
282.04999	0.4
283.06116	0.8
289.08710	0.8
290.09537	0.5
293.04520	0.5
293.08044	0.4
294.05209	0.9
295.05927	2.0
297.07660	1.0
298.08243	0.7
301.08563	0.5
307.05988	1.8
307.09552	0.9
309.04388	0.4
309.07489	1.7
309.10754	0.4
310.04688	6.3
311.05490	3.9
312.06100	0.6
313.07144	0.8
317.08008	0.6
318.08679	1.7
319.09653	0.8
321.07590	1.1
322.04831	2.2
322.08200	0.6
324.06119	0.6
325.07013	16.2
325.10880	0.9
326.07697	1.7
327.08359	0.7
329.08212	0.4
333.11255	1.3
335.09192	1.5
336.06305	1.0
336.09921	0.9
337.07043	6.3
337.10660	0.6
338.07629	0.6
339.08771	1.4
341.06668	0.8
345.07520	0.4
346.08289	5.3
347.09024	0.7
348.09894	0.6
349.07092	1.0
349.10880	0.6
350.07794	7.1
350.11862	0.5
351.08566	1.4
351.12399	0.6
356.92807	0.4
358.08563	0.4
360.09958	0.6
361.10693	8.1
363.08524	1.2
363.12415	1.4
364.09378	7.7
365.10156	11.4
367.11707	0.5
373.10605	0.9
375.08533	0.9
375.12506	0.9
376.09198	0.6
377.10092	0.9
378.10922	0.6
379.11731	24.1
380.12411	0.6
383.11475	1.1
390.10721	0.6
391.11838	1.7
393.13156	1.0
395.11447	0.8
397.12823	3.4
398.13519	6.2
400.12863	0.7
403.11887	0.5
409.12836	1.2
413.12341	0.7
415.15359	0.9
418.14017	1.5
433.16504	9.5
439.17349	0.5
451.17517	22.7
451.32104	1.0
452.17892	0.4
469.18552	100.0
470.18924	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	469.1855
Annotation	Erythbigenol B
Peak:m/z	Relative Intensity
55.05492	0.9
56.96555	1.0
59.04997	2.4
67.05489	3.3
69.03416	1.3
69.07056	3.1
71.61999	1.6
79.05481	2.1
81.03420	1.0
81.07075	4.3
83.08613	1.3
85.02899	1.8
85.06550	0.8
91.05460	2.2
93.07037	3.5
95.04927	1.0
95.08586	5.5
102.49041	0.7
105.07008	4.6
107.08578	5.7
109.06490	1.1
109.10123	3.5
111.08012	0.8
115.05506	0.8
117.06990	0.8
119.08588	4.0
121.06505	1.1
121.10114	3.9
123.08053	0.8
123.11717	2.0
125.09517	0.8
129.06992	0.9
131.08578	2.2
133.10083	3.9
135.08041	1.4
135.11676	2.9
143.08604	1.8
145.10118	3.3
147.04324	1.4
147.08028	0.9
147.11702	2.8
149.09488	1.0
149.13193	1.4
157.10147	1.3
159.07947	0.7
159.11696	2.3
161.09592	1.0
161.13246	2.4
171.11667	2.2
173.09676	1.1
173.13269	1.6
175.14778	1.7
177.12737	0.8
177.16425	0.9
183.11679	1.0
185.13210	1.2
187.14699	1.4
189.16356	1.9
195.02895	1.4
199.14807	0.9
201.16402	0.7
203.14328	1.7
207.06746	0.8
207.17416	1.4
215.14409	1.1
217.15897	0.8
218.89134	0.9
229.04944	1.2
229.15984	0.8
233.15318	2.2
241.16165	0.9
245.15382	1.0
267.46375	0.7
269.19061	0.8
310.04736	16.4
325.07031	37.8
326.07388	1.5
334.08249	1.3
335.09167	1.3
337.07010	2.1
338.07803	6.9
339.08453	2.3
347.08911	4.4
350.07712	1.3
352.09497	2.2
353.10147	37.4
354.10696	1.1
356.14896	1.0
362.07846	4.1
363.12405	1.1
367.11743	18.1
377.10184	9.0
393.13107	3.8
395.11230	15.4
409.16449	4.7
413.11807	0.9
421.16385	3.0
423.33096	1.6
433.16104	0.9
433.31055	1.5
434.49170	0.9
451.17493	100.0
452.17886	2.7
469.14700	1.3
469.33438	27.3
484.81113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01863	4.5
55.05499	2.5
57.03419	2.3
59.04992	0.7
61.02902	2.4
62.74334	0.6
65.03931	0.7
67.05491	3.9
69.03078	0.9
69.03426	14.4
69.07043	1.2
70.06590	5.6
71.01354	0.6
71.04987	9.2
71.40044	1.2
72.08154	65.7
73.02876	0.7
79.05489	3.1
81.03409	12.1
81.07061	5.3
83.04955	2.7
84.08121	2.6
85.02909	11.1
85.06514	1.3
86.09683	2.2
87.04462	0.9
87.89921	0.6
89.10783	3.3
91.03922	0.7
91.05475	5.6
91.44123	0.6
93.07034	4.0
95.04968	3.2
95.08041	0.7
95.08601	7.1
97.02888	5.9
97.06531	1.3
98.02386	1.2
98.06046	1.0
99.04454	5.8
99.08031	0.7
103.03922	1.1
105.07009	5.4
107.04964	4.4
107.08585	5.0
109.02853	4.8
109.06513	3.3
109.10138	2.9
110.01662	1.3
110.02403	24.2
110.07120	0.6
111.04458	1.6
114.10294	0.8
115.08661	1.0
116.04903	0.6
117.05449	1.8
117.06988	1.2
118.06522	3.0
119.04951	6.4
119.08578	4.9
120.08081	0.9
121.02859	10.2
121.06471	1.8
121.10132	8.6
123.04409	2.0
123.08046	2.4
124.07536	1.2
125.05975	0.8
125.09597	0.7
127.03918	4.1
128.04289	0.7
129.05437	0.7
129.07024	1.2
129.10233	1.3
131.04884	0.7
131.08569	1.8
133.06474	1.8
133.10094	3.3
135.04364	0.8
135.08054	1.3
135.11694	3.4
136.07590	0.8
137.05951	1.5
137.09628	0.8
139.11201	1.5
141.06950	0.8
143.08528	1.1
145.02824	1.8
145.04993	1.5
145.06442	1.8
145.07607	4.2
145.10123	2.2
146.05984	0.7
147.04405	23.6
147.08081	1.1
147.09138	4.8
147.11679	2.2
148.04768	0.8
149.05931	1.8
149.09654	0.9
151.07529	2.5
151.08653	3.3
152.07065	20.1
155.07042	1.6
155.08554	0.8
157.10164	2.1
159.08043	2.3
159.11699	2.1
161.05981	1.3
161.09560	1.7
161.13319	0.8
163.03859	1.6
163.08667	1.4
163.11198	0.9
167.07010	3.5
169.08354	0.8
169.09750	12.5
170.00916	0.7
171.08051	1.4
171.11655	1.5
172.08794	1.2
173.05884	1.1
173.07127	9.9
173.09665	1.6
173.13222	2.0
175.03920	1.8
175.08676	4.2
175.14799	1.9
177.05476	2.3
177.09050	1.0
181.04956	0.8
181.10054	1.0
183.06534	1.3
183.11678	1.5
185.09521	1.1
185.13350	0.9
187.03954	1.1
187.11212	1.4
187.14731	1.3
190.02718	0.8
191.08150	100.0
192.08556	1.1
193.05049	0.7
197.09537	3.3
197.13191	0.7
199.14815	1.1
201.05437	0.8
203.03391	10.6
203.14305	1.6
205.04964	1.2
205.10016	0.7
207.03040	0.9
208.03667	0.8
209.11745	1.4
211.11131	1.3
211.14722	0.8
213.05424	0.9
215.03351	0.9
215.10666	7.2
217.04874	3.0
217.13373	3.6
218.11763	4.7
221.04460	5.9
225.05437	0.8
225.16388	0.8
227.14243	1.5
229.04819	0.9
229.15982	0.8
231.11340	0.8
233.04396	1.6
233.11609	1.4
235.14467	5.1
241.05000	1.2
243.17432	1.0
245.04318	0.8
253.15910	5.2
253.21588	1.0
257.04453	0.7
265.08252	0.8
269.04520	0.8
271.16913	9.1
271.22693	2.3
279.06549	2.4
281.08020	0.9
289.11957	3.4
289.17960	8.3
293.08057	3.8
294.05331	0.7
294.08698	1.3
294.19913	0.8
295.06049	0.9
295.09570	1.1
305.08344	0.9
307.06116	8.1
307.12869	69.1
307.18918	3.6
308.06778	8.8
308.12808	0.7
309.07660	3.9
320.06586	1.2
321.07565	28.3
322.08261	7.2
323.09164	1.8
325.13898	18.3
333.07547	6.2
334.08093	0.9
335.09085	7.3
336.06116	1.0
337.07037	1.5
347.09152	3.2
349.07037	15.9
349.10721	1.4
349.13986	0.7
350.07465	1.8
351.08575	12.8
359.09042	3.1
361.07037	3.9
363.08621	6.2
363.17105	0.7
375.08734	4.8
377.10242	3.0
379.08105	14.5
380.08624	1.1
381.09885	2.1
381.18073	20.3
387.08676	4.9
391.08234	1.1
397.13519	0.9
403.08231	5.9
405.09595	7.2
406.10162	0.8
407.18457	1.6
409.09186	6.0
409.15869	1.4
415.08118	3.0
415.15143	2.1
421.09103	0.9
431.95847	0.7
433.09265	30.0
433.15939	5.3
434.09509	2.2
451.10254	41.9
451.16638	2.0
451.27130	3.3
452.10464	2.5
452.25473	2.1
469.11288	34.4
469.22241	1.9
469.28198	38.6
470.11588	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	469.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14738	0.3
53.03936	2.8
55.01870	2.1
55.05497	1.8
57.03431	2.6
59.04962	0.8
61.02890	1.1
67.05489	0.5
67.60696	0.4
69.03072	0.7
69.03426	10.5
69.07053	0.4
70.06574	1.1
71.01327	0.7
71.04985	5.1
72.08155	3.8
73.02887	0.9
79.05477	0.4
81.03411	23.2
81.07033	2.4
83.04975	5.1
83.08613	0.6
84.08131	0.4
85.02897	3.3
85.06515	0.6
87.04445	0.6
91.05451	1.5
93.07017	0.7
95.04929	0.5
95.08609	0.8
97.02854	0.8
97.06485	0.5
98.09661	0.8
99.03821	0.8
99.04441	11.2
100.07622	0.5
100.11243	1.2
103.03922	1.5
105.07010	0.8
107.04949	1.4
107.08575	0.4
109.02872	10.5
109.06487	0.4
109.10155	0.7
110.02374	1.8
111.04430	0.9
116.10670	0.4
117.05483	2.4
118.06528	2.0
119.04912	0.8
119.08543	0.7
121.02876	5.1
121.03761	0.6
121.06480	0.4
121.10174	0.4
124.07610	0.4
127.03881	4.3
128.07076	0.5
131.04869	0.6
131.08530	0.6
135.04489	0.6
135.11694	0.5
137.06036	0.5
139.11093	0.5
141.12704	1.3
145.02788	0.6
145.06511	0.5
145.07602	3.7
147.04396	2.9
147.08102	0.3
147.09148	8.2
149.05962	0.5
149.83351	0.4
151.08650	0.4
152.07028	1.4
159.13777	2.0
162.07881	0.6
163.08600	0.7
167.07062	0.7
169.09789	0.9
169.47951	0.4
173.05711	0.6
173.07104	7.8
175.03865	0.8
175.08656	9.9
181.05202	0.4
182.15321	1.5
185.07149	0.5
187.03877	0.5
190.07368	0.7
191.08139	100.0
192.08464	1.5
198.14870	1.5
199.08694	0.9
202.09236	0.4
203.03386	5.5
203.08195	1.0
205.09673	0.6
210.14914	2.6
213.10196	0.8
215.03384	0.6
215.11757	0.5
217.04875	0.7
218.11705	0.4
221.04468	2.3
226.14404	1.1
231.11201	1.2
233.04362	0.5
233.09250	0.9
235.14452	0.4
241.04800	0.5
243.11305	0.7
271.10727	1.9
279.06485	1.3
280.07080	0.4
281.07965	0.5
289.11810	8.6
289.18054	0.7
293.08197	1.7
295.09412	0.6
305.08182	0.6
307.06161	2.3
307.12851	34.1
308.06738	4.1
309.07477	1.4
321.07550	12.1
322.08304	3.4
323.09229	1.0
325.13919	34.8
326.14240	1.1
331.09106	0.7
331.12851	8.6
333.07550	3.1
335.09137	3.8
337.07019	1.2
347.09177	1.6
349.07123	7.0
349.13922	9.2
350.07614	1.0
351.08612	5.9
352.09033	0.6
354.23981	1.1
359.09012	1.4
361.07047	2.2
363.08557	3.0
371.16040	1.8
375.08734	1.9
377.10147	1.3
379.08044	4.9
381.09818	0.6
381.17960	1.1
387.08548	3.0
389.17026	3.7
391.15042	0.7
397.13968	4.2
403.07996	2.7
405.09494	3.6
407.18042	0.8
409.09250	2.6
415.08344	1.4
415.14954	13.0
433.09222	12.1
433.16028	13.5
433.21939	0.7
434.09351	0.8
451.10248	17.2
451.17114	13.6
452.10318	1.6
452.16629	0.4
452.31427	0.9
469.11261	15.1
469.18747	0.7
469.21426	0.9
469.28741	2.2
469.33929	2.1
470.11819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
53.03940	0.4
54.93969	0.2
61.37498	0.2
66.23802	0.2
67.05489	0.5
77.03907	0.3
79.05056	0.3
79.05491	3.8
81.07063	0.5
83.08568	0.3
89.06016	0.5
91.05489	0.4
95.04973	1.0
103.05466	2.7
105.07025	100.0
106.07355	1.4
107.08588	0.2
109.10151	0.6
121.06539	0.4
124.86763	0.2
131.08568	0.4
133.10077	0.6
146.92465	0.3
147.08061	0.7
165.09108	2.2
187.28160	0.2
209.13219	0.3
225.12717	0.5
240.40303	0.2
241.12256	0.7
243.13905	0.3
251.14325	0.8
253.15889	1.0
256.25333	0.2
269.15359	4.2
269.18094	0.4
345.18414	1.3
432.36053	0.3
454.97174	0.3
468.29370	1.3
468.37100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01879	1.5
55.05517	1.7
56.96581	1.3
57.03416	1.7
57.27599	1.1
60.04514	7.9
61.02926	1.8
63.37146	1.2
69.03412	4.4
69.07064	10.0
70.06583	9.6
71.04982	7.6
71.08612	3.5
71.52415	1.2
71.52757	2.3
71.89539	1.3
72.04548	1.2
72.08150	39.9
73.02907	1.9
74.06047	1.8
81.03406	3.1
81.07050	1.5
84.04517	2.6
84.08128	4.6
85.02902	17.9
85.08351	0.9
85.26682	1.1
85.39331	1.0
86.06059	1.7
86.09696	1.6
89.10785	8.2
91.05477	5.9
96.04488	1.2
97.02879	11.3
97.06516	2.5
98.06073	2.7
103.03961	1.1
109.02853	3.2
110.02379	2.6
110.06033	1.5
111.54673	1.1
112.07570	1.2
114.09145	5.6
115.07544	5.7
115.08720	1.6
119.04929	21.3
126.05531	1.9
126.09145	2.5
127.03909	7.2
129.05385	1.5
131.04945	1.5
136.07596	1.6
137.02295	1.2
138.05463	4.0
140.07060	1.5
142.08615	22.0
143.07031	9.7
144.02057	1.5
144.06531	4.7
145.04944	1.6
145.84665	1.2
147.04396	100.0
148.04752	1.3
148.60115	1.1
152.07060	2.8
154.08643	2.0
160.09680	36.6
162.07651	2.5
163.03896	1.6
167.07062	1.6
180.08693	2.9
184.09698	7.1
202.10652	6.6
217.13446	1.2
218.11761	15.0
235.14406	37.5
237.02715	1.3
239.38802	1.2
261.12375	1.5
302.08084	1.1
304.13730	2.6
304.27060	1.3
306.07205	1.3
322.14948	15.6
381.18002	16.1
450.23724	2.0
451.16089	1.1
468.18427	2.5
468.25513	6.6
469.28018	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	467.3727
Annotation	Certonardosterol D5
Peak:m/z	Relative Intensity
55.01860	5.0
55.05505	18.1
57.03416	2.6
57.07068	26.7
65.03925	3.3
67.05490	9.1
69.03418	4.4
69.07068	30.6
69.49840	21.4
71.08629	18.6
81.07063	11.9
83.04972	7.5
83.08620	27.4
85.10167	14.6
90.57697	2.3
91.05482	5.7
93.07020	2.3
95.08591	11.5
97.06528	5.8
97.10173	20.4
100.21790	2.3
103.68561	2.2
107.93004	2.3
109.10125	6.5
111.04424	8.8
111.11723	11.7
117.48609	2.3
119.04916	5.8
119.08585	5.5
121.06532	5.7
123.07958	3.4
123.11639	2.7
125.05994	4.7
125.13262	6.2
133.10112	3.3
135.04372	9.7
135.08061	2.7
137.05994	5.2
139.02905	4.3
139.03899	48.3
139.07524	28.9
141.05428	2.9
153.05457	55.5
155.07037	8.0
161.09575	2.6
165.05469	11.6
167.07024	26.8
171.06520	100.0
171.07999	4.9
175.11269	2.4
179.10661	8.5
187.03653	54.6
209.11655	3.4
228.06418	2.6
235.13438	3.1
303.26520	2.7
305.20837	2.8
322.94287	2.7
332.08664	2.2
367.29410	2.8
367.56345	2.6
387.32761	3.4
403.35449	4.5
405.33664	6.2
413.34094	9.9
431.35187	64.6
432.35641	3.4
449.36307	38.5
450.36176	2.6
467.31232	38.1
467.36987	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	467.3728
Annotation	6alpha-Hydroxy-castasterone
Peak:m/z	Relative Intensity
52.04235	2.3
53.03953	3.0
54.86742	2.2
55.05262	2.5
55.05505	35.2
57.03422	5.0
57.07071	36.6
65.29580	2.2
67.05499	33.2
67.53008	2.2
69.03421	3.3
69.07064	63.3
69.74360	14.4
71.08633	20.0
72.37505	2.4
79.05479	7.9
81.06577	3.4
81.07050	47.3
83.08611	49.5
85.06552	2.4
85.10199	12.7
91.05459	8.1
93.07030	11.2
95.04980	13.6
95.08599	55.5
97.06525	13.1
97.10159	29.4
98.98460	14.8
99.00792	2.8
102.54670	2.3
105.07020	6.6
107.08571	13.3
109.06497	11.5
109.10147	37.8
111.08120	2.3
111.11691	12.5
113.05958	2.8
119.04961	12.0
119.08570	11.1
121.06497	40.5
121.10138	8.5
123.04437	22.3
123.08065	16.7
123.11702	16.9
125.13256	6.0
131.08575	3.5
133.10106	7.2
135.08043	4.9
135.11699	3.9
137.05992	44.2
137.09552	2.8
137.13268	6.6
139.07520	8.4
145.10080	6.3
147.11580	3.9
151.07497	6.3
153.11783	2.5
155.01015	13.1
155.07022	100.0
156.07269	2.3
157.10081	3.6
159.11711	6.6
161.09628	2.3
161.13182	3.2
167.07033	36.9
171.11569	4.0
173.11824	3.7
173.13246	4.5
175.11118	2.5
177.09113	2.3
177.12830	3.5
187.11148	2.6
189.12701	2.5
191.14381	3.3
203.14290	2.9
207.58308	2.6
239.23801	3.8
313.27344	38.6
333.25635	2.6
343.83109	2.4
385.34357	2.5
392.87335	2.5
413.34152	7.0
431.30688	2.5
431.35318	24.2
449.26093	4.8
449.31357	3.4
449.36282	31.0
453.94702	2.5
467.31354	21.4
467.37305	86.9
468.37851	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	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
54.57259	2.7
55.01867	5.3
55.05508	30.7
57.07072	45.6
59.04989	4.4
65.03919	2.9
67.05502	100.0
69.07063	47.1
71.04948	4.0
71.08633	30.4
71.64955	4.1
71.65319	3.3
79.05487	14.0
81.07055	77.8
83.04971	5.2
83.08614	36.6
84.76212	3.0
85.06538	4.2
85.10172	15.3
87.18078	2.5
91.05460	11.8
93.07050	17.6
95.04962	5.4
95.08601	56.8
97.10178	18.8
99.50330	2.5
105.07031	14.0
107.08588	17.5
109.06506	16.7
109.10149	80.7
111.04440	28.7
111.08070	6.8
111.11681	8.3
113.06023	4.0
117.06998	3.7
119.08572	19.1
121.06466	7.4
121.10156	11.7
123.08059	42.2
123.11655	10.9
125.05993	6.6
127.03846	3.2
131.08562	5.0
133.10106	8.5
135.07997	5.7
135.11685	6.8
137.05005	4.3
137.05972	61.2
137.09616	6.7
137.13243	5.9
139.07521	3.2
143.08606	3.6
145.10083	6.0
147.11667	8.7
148.08698	3.0
149.09648	6.3
151.07533	11.8
151.14851	3.3
155.07008	9.1
157.10078	8.0
159.11685	13.6
161.13232	7.7
163.11092	3.4
163.14795	4.1
167.06964	5.4
168.76233	2.9
171.11716	10.8
173.11716	19.7
173.13254	10.6
175.11182	4.2
175.14799	6.0
177.09073	3.3
177.12778	3.8
187.14908	4.6
189.09097	3.1
191.10690	9.8
191.14253	3.9
193.12216	3.4
197.13524	3.0
199.11125	4.2
199.14751	2.6
205.12271	7.0
207.13910	4.4
216.11313	3.1
217.12202	22.6
219.13724	5.3
239.23605	6.7
261.18405	2.9
275.20123	3.8
385.34653	5.3
387.36392	3.9
401.34100	3.2
403.35889	6.7
405.37402	6.0
413.34116	21.3
419.35208	10.5
431.35245	18.2
449.35986	8.0
467.31516	11.1
467.37366	75.1
468.37500	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	467.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
54.43047	1.2
55.01859	1.7
57.03432	8.8
58.06597	1.5
60.04515	5.1
61.02933	1.6
68.05013	2.2
69.03422	5.4
69.07066	9.7
69.61652	3.6
69.62083	5.3
70.06588	1.5
71.04990	67.0
71.08624	5.7
71.30238	1.2
72.08156	8.5
73.02903	2.0
75.04450	2.5
81.03405	3.2
82.07551	1.1
83.04980	3.6
84.04502	1.3
84.08135	4.2
85.02901	100.0
86.02430	1.6
86.06065	15.9
86.09726	1.2
87.04458	2.2
97.02890	13.9
97.06552	1.4
98.06056	1.6
98.21471	2.1
99.04481	2.3
103.03960	2.3
106.39846	1.1
107.04973	1.2
109.02894	3.9
111.04421	2.0
114.09163	8.1
114.09843	1.2
118.06536	2.1
119.04922	1.5
127.03903	9.3
129.05482	23.0
134.06032	1.3
142.08630	76.2
145.04938	6.5
146.05980	4.1
147.04398	8.4
147.06494	9.4
150.41928	1.2
152.07111	1.5
156.10202	1.6
163.68234	1.2
164.09204	6.1
173.09198	2.4
184.09691	40.8
188.10762	1.2
201.08711	1.5
208.09703	8.7
220.09630	2.8
235.14558	1.2
242.15172	3.8
242.65427	1.8
250.10649	5.9
264.98929	1.2
268.11813	2.5
286.12738	4.4
304.13907	75.6
305.14392	2.3
314.69525	1.3
381.18030	2.1
407.22705	1.3
423.70483	4.4
424.20703	1.7
436.17902	1.2
450.53296	1.3
467.22400	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	467.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	0.8
57.03356	3.4
57.07001	0.8
64.03797	0.5
65.29123	0.5
67.05417	1.8
67.05733	0.5
69.03386	0.5
69.06977	2.1
69.46122	0.8
69.46520	4.1
70.06547	1.1
72.08092	0.5
73.95988	0.5
75.04384	9.2
75.04841	0.8
79.05414	1.0
81.06960	2.6
83.04891	0.6
88.07550	1.2
91.05407	1.1
93.06944	1.3
95.08494	2.3
102.09096	0.8
103.05434	0.6
105.06906	1.5
105.18005	0.5
107.04901	0.7
107.08498	1.3
109.10056	1.0
110.80441	0.6
111.12918	0.6
117.03268	0.6
119.08488	1.6
121.06420	0.7
121.10061	0.9
123.04388	0.6
131.08415	0.7
133.02757	0.6
133.10033	1.3
134.03520	1.2
135.04327	0.7
135.11600	1.3
137.05911	0.8
143.62161	0.5
145.02754	0.8
145.10052	1.5
147.04308	0.9
147.11627	0.6
149.02234	1.8
150.02676	0.5
151.03787	0.8
153.05400	1.1
157.10016	0.5
159.07983	0.6
159.11620	1.0
175.07430	1.0
177.01773	0.8
177.05453	0.6
185.05919	0.7
187.07532	0.6
189.01743	2.0
191.03258	0.6
193.04918	2.7
194.01978	1.0
194.05244	1.1
198.06691	0.7
201.05397	0.7
205.17633	0.6
207.02823	2.4
215.57687	0.5
222.43709	0.6
224.04712	0.7
229.04884	1.1
237.07472	1.7
238.07988	1.2
243.06369	0.9
245.04381	1.1
253.04836	1.1
256.26297	1.3
257.26553	1.7
265.04846	2.4
265.08554	0.6
279.06473	1.0
279.09985	0.7
281.04352	0.6
289.08557	0.8
293.04373	1.8
294.05133	1.3
295.05890	1.2
305.04449	0.7
305.08084	1.0
307.09604	1.7
309.07504	1.0
310.04645	5.7
311.05518	1.1
317.08090	1.0
318.08627	1.3
319.05920	0.6
320.06665	0.7
321.04004	0.8
321.07410	0.7
322.04703	10.6
323.05594	4.1
323.08929	1.2
324.06339	1.3
325.03403	1.1
325.07047	13.7
333.07526	0.8
333.11124	1.9
333.17505	0.7
335.05396	1.5
335.09122	3.6
336.06259	1.7
337.07047	16.4
337.10971	1.1
338.07532	0.7
339.04926	0.8
339.08588	0.8
341.06885	1.8
346.08432	3.0
347.09079	1.0
348.10110	0.8
349.07037	1.3
349.10837	0.7
350.07751	1.0
351.08569	4.5
351.12259	0.8
355.08054	1.8
358.08304	1.5
361.06857	1.0
361.10712	3.3
362.07764	0.8
363.08521	6.9
363.12445	1.2
364.09378	1.1
365.10156	2.6
366.10785	1.1
367.11859	1.1
373.10587	2.2
376.09549	3.4
377.10156	1.7
378.10886	4.0
379.11795	3.4
381.13431	0.8
391.11746	14.2
393.13309	100.0
394.09857	1.1
394.13910	1.8
395.11099	3.2
409.12787	34.1
410.13159	0.8
413.30438	0.6
421.16382	1.1
431.14331	0.7
449.15964	6.4
449.31412	0.6
466.32062	0.9
467.11435	1.3
467.17068	27.1
467.32031	8.2
468.17422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.4
71.61839	0.7
76.77741	0.4
81.36097	0.4
98.97538	0.4
116.15031	0.4
116.98627	1.0
134.99652	0.9
146.25073	0.5
150.74922	0.4
164.59387	0.4
177.00948	0.6
219.01939	0.4
222.97839	0.9
232.01511	0.4
234.99979	6.9
236.00124	0.7
240.98994	1.5
253.01067	3.4
257.98825	0.4
258.99973	18.3
260.00122	2.3
261.00345	0.6
261.03094	1.1
261.99573	0.4
264.98727	2.3
274.97873	0.7
277.01035	32.8
278.01202	2.9
279.00995	0.9
280.01199	0.4
282.01465	0.5
282.99963	37.6
284.00153	3.5
284.99875	0.4
291.99863	0.5
295.01935	0.6
300.02466	1.1
301.01038	100.0
302.01138	10.5
303.01114	2.2
304.00848	0.6
316.98911	0.5
318.98676	0.4
319.02054	8.5
320.02148	0.9
324.02646	5.3
359.00137	0.9
364.98953	0.6
401.01123	4.4
402.01382	1.1
403.00815	0.7
406.99826	4.2
408.00232	0.9
424.02438	0.6
425.01083	18.2
425.06903	0.9
426.01263	2.6
442.03629	0.6
443.02219	83.9
444.02390	11.8
445.02237	1.0
461.03363	1.3
466.03839	8.1
467.03619	2.1
471.05264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1697
Annotation	Terrestrin B
Peak:m/z	Relative Intensity
55.05500	1.7
57.03436	1.1
59.05000	1.6
67.05514	2.2
67.70910	0.9
69.03397	0.9
69.07060	2.6
70.89051	2.4
72.08143	1.2
79.05490	2.2
81.07056	3.9
83.04973	1.3
85.02892	1.3
88.46632	0.9
91.05470	1.7
93.07039	2.6
95.08630	4.5
97.02881	0.9
105.03436	1.3
105.07028	1.9
107.08624	2.0
109.10157	2.1
115.05496	1.0
117.03368	1.1
119.08597	3.2
121.10138	1.6
123.04453	0.9
123.11668	1.2
125.06021	1.1
129.06996	1.4
131.04930	2.1
131.08551	1.9
131.55684	1.1
133.02896	1.4
133.10126	1.6
134.03632	1.3
135.04431	1.4
135.11751	1.1
137.05989	2.7
145.10118	1.1
147.11671	1.0
148.64078	0.8
149.05968	1.0
149.13307	1.1
150.03058	1.1
151.03896	3.5
153.05490	4.0
157.06549	1.1
157.10146	1.1
159.04414	6.2
159.11617	1.6
161.13200	1.5
165.05489	3.5
173.13271	1.2
178.10707	1.0
182.52786	0.9
185.05948	1.5
187.07547	6.1
194.05269	1.2
209.05992	1.0
213.05463	19.9
213.07376	1.2
215.07036	1.2
217.04616	0.9
227.06944	1.0
231.06535	2.0
233.09660	1.3
237.09142	1.3
239.07091	1.2
253.05156	1.1
261.09091	1.8
265.08640	1.4
267.06427	1.3
277.08621	1.2
279.06525	1.2
289.08704	1.5
290.09448	1.2
295.05945	1.1
305.08221	1.3
307.09683	1.2
309.08041	1.0
310.04724	6.3
315.10233	1.0
317.07993	1.2
318.08838	2.1
321.07657	2.7
322.04959	1.5
322.08459	1.9
324.02753	7.0
324.06186	1.9
325.07019	12.0
332.07114	1.2
335.09122	3.7
335.12784	1.2
336.06201	4.0
336.09799	2.2
337.07245	3.0
339.05029	17.7
339.08643	2.1
342.03833	1.3
346.08344	10.6
347.09058	1.6
349.07080	2.3
349.10910	1.6
351.08533	5.3
355.09335	1.0
357.06082	3.0
359.12955	1.1
360.09970	1.3
361.10620	12.2
362.07816	2.1
363.08566	3.9
364.09418	15.2
365.10168	2.8
367.12146	2.2
373.10696	4.2
374.11871	1.2
377.10135	4.5
378.10989	2.2
379.11752	57.7
380.08429	1.6
380.12537	1.3
389.10120	1.2
391.11856	2.9
393.13327	32.3
395.11267	8.2
398.11624	3.9
401.10040	6.0
403.15454	2.9
413.13617	5.6
416.12390	7.9
421.16531	10.4
431.14874	41.0
431.31625	1.8
432.15646	1.8
434.13815	2.5
449.15942	70.5
449.32339	3.0
450.16382	3.2
467.17087	100.0
467.31519	3.3
468.17426	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	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01868	1.7
55.02957	0.6
55.05507	3.4
56.47508	0.5
57.03432	4.7
57.07063	2.5
59.04999	0.6
61.02921	3.8
64.82188	0.6
65.03941	0.7
67.05499	13.8
67.11150	0.6
69.03425	9.3
69.07066	6.7
70.06583	1.1
70.18610	2.0
71.01354	0.8
71.04972	1.9
71.08626	0.9
73.02498	0.8
73.02908	15.4
78.94261	0.5
79.05485	13.6
81.03429	2.8
81.07050	100.0
82.07397	1.1
83.04980	1.4
83.08605	3.7
85.02899	19.4
85.06516	1.6
87.04457	1.9
87.28129	0.5
91.03944	1.3
91.05472	5.8
93.07038	11.5
93.89648	0.6
95.04969	2.6
95.08600	21.4
96.08948	0.9
96.71540	0.6
97.02880	15.8
97.06497	3.1
97.10209	0.6
98.20778	0.6
99.04448	1.4
99.08096	0.9
103.03968	0.8
105.07042	2.6
107.04942	0.7
107.08581	5.7
109.02880	2.7
109.06512	1.5
109.10161	2.5
111.04443	1.0
111.08108	1.5
115.03917	8.8
117.07019	2.7
119.04926	0.7
119.08583	2.0
121.06488	1.4
121.10138	3.2
123.04432	1.4
123.11719	1.4
125.06030	0.8
127.03917	9.5
131.04955	1.2
131.08562	2.2
133.04968	10.7
133.06456	0.7
133.10115	3.7
135.04367	0.8
135.08029	0.9
135.11679	2.9
137.05997	1.1
137.13255	19.8
145.04951	9.4
145.06018	1.0
145.10144	1.0
147.04408	1.2
147.11783	0.9
149.06010	0.7
149.08517	0.6
149.13211	4.8
150.07593	0.9
151.07539	1.2
151.11209	0.8
153.05522	1.2
157.10094	0.7
159.11664	4.5
161.13237	1.4
163.05989	3.8
167.06987	1.0
177.12756	7.9
179.14261	3.1
192.11053	0.9
193.08591	1.0
195.13737	3.6
213.14850	0.7
217.84674	0.6
223.06036	1.8
241.07172	2.0
251.16432	1.7
259.08087	4.0
269.17453	29.0
277.09152	0.9
295.10272	2.4
377.09998	0.7
379.12039	0.6
395.26331	0.6
407.14517	0.7
449.16022	1.3
467.17343	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	465.3572
Annotation	Certonardosterol C2
Peak:m/z	Relative Intensity
52.15100	2.1
53.03945	2.2
55.01865	8.2
55.05507	29.6
57.03425	6.9
57.07079	15.5
65.03937	3.0
67.05494	18.6
69.07063	45.5
69.69767	14.6
71.08629	6.8
71.65785	2.1
73.02888	3.3
79.05489	10.0
81.03427	2.8
81.07050	27.7
83.04961	2.8
83.08611	28.6
85.10175	4.9
91.05466	11.4
93.03387	4.3
93.07038	13.6
93.09589	1.9
95.04958	7.4
95.08598	21.4
97.06538	4.0
97.10169	21.1
98.21470	3.8
98.98466	30.5
105.07037	3.8
107.04919	2.7
107.08588	7.8
107.24999	2.0
109.02853	2.5
109.06512	8.2
109.10135	12.0
111.04446	8.8
111.11717	9.3
119.04906	5.4
119.08582	4.4
121.06510	5.9
121.10145	9.6
123.04417	21.5
123.08041	2.6
123.11720	6.1
125.05980	4.4
131.08517	2.3
133.10153	4.5
135.08109	3.4
135.11694	4.6
136.99966	2.8
137.02361	2.1
137.05974	28.2
137.09630	2.8
137.13199	5.0
139.03934	5.1
139.07523	5.6
145.10136	3.6
147.04410	15.5
149.05977	3.9
149.13263	4.7
151.07544	4.1
153.05429	11.1
155.01042	31.0
159.08012	2.3
161.09572	2.4
165.05461	100.0
165.09166	3.7
167.07042	93.1
171.06496	4.1
175.11183	2.3
179.07030	6.5
180.79707	2.2
183.06528	8.5
193.08521	4.0
205.12234	2.6
207.10172	3.0
221.11707	3.5
233.11737	2.3
235.13382	2.7
237.22105	7.3
276.94629	2.1
288.91943	2.1
293.20447	2.6
303.19742	2.6
311.25806	61.4
343.07187	2.3
411.32751	3.7
429.28375	4.0
429.33643	51.8
429.81073	2.8
430.33658	2.4
447.25299	9.9
447.34662	46.2
448.34805	2.4
465.18979	7.4
465.29568	5.7
465.35696	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	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02993	0.3
52.88473	0.3
53.03934	1.0
55.01862	1.7
55.05498	1.2
57.03432	3.2
57.07069	1.6
59.04974	0.5
61.02918	3.0
65.03941	0.3
67.05494	4.0
69.03421	6.8
69.07065	2.3
70.06555	0.6
70.88119	0.5
70.88469	0.7
71.01353	0.4
71.05000	0.6
73.02910	10.3
79.05482	6.7
79.05946	0.3
81.03420	1.2
81.07048	100.0
82.07388	0.9
85.02895	17.6
87.04433	0.9
91.03966	1.1
91.05468	0.9
91.55423	0.3
93.07052	1.2
95.04966	0.8
95.08595	16.2
97.02879	13.6
97.03512	0.7
97.06543	0.4
99.04442	0.9
103.03961	0.6
107.08613	0.7
109.02880	1.3
109.10145	1.1
115.03916	7.0
115.04726	0.4
119.08497	0.4
121.10199	0.3
123.04408	0.5
123.11695	0.4
127.03896	7.9
127.04785	0.5
133.04953	11.2
137.13240	24.4
145.04942	11.9
149.06052	0.4
150.07578	0.8
153.05479	0.4
154.15926	0.7
157.04935	0.5
163.05992	4.6
183.19643	0.3
193.05014	0.3
214.23293	0.3
217.07126	0.6
223.05994	2.6
241.07034	2.8
259.08102	5.2
269.17560	0.5
277.09186	0.9
295.10175	3.3
367.03064	0.4
407.14740	0.4
411.96164	0.4
467.16846	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3575
Annotation	Certonardosterol B2
Peak:m/z	Relative Intensity
50.29358	2.6
55.05511	21.4
57.07067	7.4
58.61520	2.7
59.06229	2.0
59.60505	2.1
61.04605	2.3
63.85856	2.2
67.05509	13.1
69.07066	39.8
71.08625	7.1
71.65078	3.1
72.51148	2.3
79.05502	5.9
81.07053	26.9
83.04981	24.3
83.08615	18.7
85.10174	4.8
89.06004	2.7
91.05489	4.9
93.07034	13.7
95.08601	28.1
97.10173	5.9
105.07023	8.0
107.08571	11.6
109.06495	5.1
109.10131	18.0
111.08109	4.9
111.11810	2.8
119.08581	6.1
121.06505	3.8
121.10185	8.4
123.08080	4.8
123.11729	9.0
133.10118	3.6
135.08090	5.9
135.11737	6.4
137.06007	15.4
137.09666	2.6
137.13274	3.5
139.07576	10.8
145.10162	3.1
147.11670	3.3
149.09589	4.0
149.13240	3.3
151.07539	5.9
151.11163	2.7
153.05515	2.5
155.06989	12.9
159.11716	5.0
161.09656	7.6
161.13326	4.0
163.11215	2.5
167.07065	6.2
168.22870	2.6
171.06621	4.3
175.11215	8.3
177.12769	3.0
179.10707	4.3
183.06557	5.0
187.11151	3.1
189.12770	7.1
193.12279	3.6
195.13742	2.7
401.34052	18.0
411.32541	3.3
419.35373	2.7
429.33624	28.7
429.38153	2.6
447.34732	75.7
448.34650	4.6
465.35791	100.0
466.36469	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	465.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01870	2.5
55.05494	2.6
55.05725	0.7
57.07071	9.9
65.03938	1.4
67.05501	2.6
67.68115	0.6
69.07064	7.0
71.04966	0.6
71.08636	7.5
71.61706	0.8
73.26383	0.5
77.59203	0.7
79.05457	0.7
81.07065	3.0
83.01337	1.2
83.04990	1.1
83.08618	3.8
85.10192	3.5
91.05449	0.9
93.06989	0.9
95.04966	0.9
95.08599	2.2
97.06521	0.6
97.10157	3.3
99.00826	2.3
99.04438	5.1
107.08597	1.0
109.06568	1.1
109.10152	1.8
111.04436	2.2
111.11703	1.8
117.01831	0.8
119.08609	0.7
123.04411	0.6
125.05978	2.4
127.03915	3.2
135.11739	0.7
137.05977	3.6
137.21597	0.7
139.03900	61.1
139.07494	1.3
141.05440	2.5
145.10112	0.8
149.13129	0.7
151.03842	1.3
151.07524	1.1
153.05460	13.8
157.04901	0.9
159.11690	0.7
163.03918	1.4
163.07574	0.8
165.09070	0.7
167.07030	1.7
169.04979	6.3
171.06393	1.0
177.09116	1.3
179.10670	0.8
181.04953	100.0
187.06046	1.1
191.10655	1.3
195.06601	1.7
205.12320	0.6
208.38400	0.7
209.08089	1.4
223.09683	2.2
228.13148	0.7
237.11243	2.5
247.17001	0.6
251.12772	1.7
263.78476	0.7
265.14346	1.8
279.15967	1.6
281.38226	0.7
293.17484	1.7
298.98251	0.6
307.19043	1.6
321.20700	1.6
335.22086	2.1
349.23764	0.9
363.25259	0.9
377.26764	1.2
387.32620	0.9
391.28378	1.4
393.42261	0.7
401.34314	4.0
405.33636	1.8
419.35062	4.0
429.33609	2.4
447.34454	7.5
465.34189	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	465.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05499	3.1
57.07073	11.0
61.74913	1.3
65.03936	2.0
67.05498	3.9
69.07034	5.9
69.80454	6.1
69.80873	3.2
71.08633	9.9
81.07059	2.4
83.01283	2.2
83.08606	4.2
85.10162	4.0
93.07026	2.1
95.08610	2.9
97.06495	2.1
97.10133	2.6
99.00773	4.7
99.04423	8.8
105.07040	1.7
107.08570	1.8
111.04439	3.6
127.03894	2.5
129.01784	1.4
135.04317	2.0
137.05933	3.6
139.03883	71.4
141.05489	1.7
151.03870	1.9
151.07478	1.5
153.05441	16.3
163.03888	3.5
167.06993	1.9
169.04947	3.4
177.09195	3.0
177.11018	1.6
181.04939	100.0
191.10661	1.7
251.12677	2.2
265.14273	1.6
293.17438	2.2
307.18961	4.3
401.33954	3.5
405.33325	1.8
419.35153	2.4
429.33652	3.5
447.34625	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	465.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
55.05504	3.9
57.07071	12.4
59.57563	1.0
63.48476	0.8
65.03928	1.4
67.01865	0.9
67.05498	3.0
69.07067	6.5
69.85429	2.3
69.85838	3.4
71.08626	9.7
78.41431	1.0
79.05527	1.2
81.07041	3.9
83.01344	2.1
83.08600	5.5
85.02906	1.1
85.06540	1.3
85.10181	5.3
88.56491	0.9
91.05471	1.8
93.03431	1.6
93.07055	2.4
95.04985	2.0
95.08595	3.1
97.06520	1.1
97.10156	3.1
99.00829	4.5
99.04438	8.2
105.07046	1.8
107.08573	2.1
109.06545	1.5
109.10151	1.5
111.04429	4.8
111.11684	2.6
119.08562	1.2
121.10142	1.1
123.08057	1.0
123.11742	1.1
125.05968	1.3
125.13284	1.8
127.03928	4.0
135.04439	1.1
135.08078	1.3
137.06001	3.4
139.03894	71.8
139.07533	1.5
141.05455	3.8
151.03899	2.0
153.05458	16.5
163.03905	3.5
163.07484	1.1
163.11166	1.2
165.09184	1.6
167.07108	2.0
169.04915	6.0
171.06490	2.2
177.09100	1.0
181.04955	100.0
191.10603	1.5
193.67264	1.0
199.22232	0.9
209.11719	1.0
228.76656	1.0
237.11259	2.9
251.12822	2.1
265.14484	1.7
276.99060	0.9
279.15958	1.6
293.17487	1.4
307.19104	2.2
313.09854	1.0
321.20325	1.8
335.22070	1.2
349.23749	1.7
396.19693	1.0
401.34058	4.0
405.33829	1.6
419.35095	4.5
421.69147	0.9
429.33475	2.8
447.34802	7.7
465.35638	1.1
474.17117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3576
Annotation	Certonardosterol B2
Peak:m/z	Relative Intensity
51.43131	1.3
55.01862	1.7
55.05511	15.4
57.07080	8.2
67.05505	16.2
69.03443	2.9
69.07068	25.0
69.97721	1.3
70.89243	2.9
70.89577	2.5
71.08622	5.4
79.05505	6.4
81.07052	25.2
82.06037	1.3
83.04971	3.8
83.08608	14.9
85.06552	3.1
85.10184	3.7
89.06034	2.4
91.05477	5.6
93.07040	13.0
95.04981	8.9
95.08598	22.3
97.06528	2.7
97.10165	11.6
103.34389	1.2
105.07027	7.1
107.08587	4.6
109.06522	12.2
109.10150	12.2
111.04443	100.0
111.08074	3.3
111.11703	5.6
117.07112	1.7
119.08572	6.1
121.06493	10.8
121.10139	2.8
123.04424	17.1
123.08055	4.1
123.11684	6.7
125.05936	3.2
125.13303	2.2
131.08553	1.7
133.08629	1.4
133.10115	4.7
135.04431	7.5
135.08005	2.4
135.11717	1.8
137.05965	22.8
137.13252	4.6
139.07516	7.3
139.14830	1.4
141.05437	2.2
145.10101	4.1
147.08035	3.2
147.11705	3.3
149.06027	2.7
149.09642	2.5
149.13318	2.1
151.07538	1.7
151.14873	2.0
153.05461	35.1
155.07057	4.8
157.10101	4.1
159.11685	3.6
161.09631	3.9
161.13272	2.6
165.05478	72.2
167.07092	4.3
171.06548	8.7
171.11722	3.8
173.09619	2.2
173.13264	2.1
175.11189	5.8
177.09131	2.6
183.06526	80.4
187.11252	1.9
187.14731	1.8
187.77567	1.2
189.12724	6.7
191.10643	3.6
203.10587	1.8
217.12131	1.5
218.20345	1.3
229.19531	1.4
383.32999	9.4
385.34564	2.5
392.08154	1.3
401.34164	26.9
403.35880	1.4
411.32532	10.6
419.35242	20.7
429.33661	39.9
447.29010	2.2
447.34787	30.5
465.35757	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.9
55.05497	7.5
57.03405	2.4
57.07070	21.1
65.03916	4.4
67.05485	4.5
69.07063	13.2
69.66030	3.4
69.66419	11.6
71.08636	15.8
77.31665	1.6
79.05492	1.7
81.07042	6.8
83.04983	8.2
83.05398	1.6
83.08607	9.5
85.06519	2.1
85.10177	7.8
93.07034	4.0
95.04913	1.9
95.08598	4.7
97.10167	3.2
98.20776	3.0
99.04456	3.9
99.11737	2.8
105.07024	2.2
107.04935	3.9
107.08592	2.5
109.06513	4.2
109.10148	5.4
111.04421	14.4
111.08050	2.7
111.11716	2.3
119.08533	1.9
119.41166	2.0
121.10115	2.2
125.02362	8.2
125.05983	12.7
127.03918	5.8
133.10089	1.8
135.04381	2.8
135.08128	1.7
137.05978	4.2
139.03893	5.4
147.11653	1.7
149.09601	2.4
151.11209	1.9
153.05453	86.0
163.03871	2.0
163.11113	2.0
167.06987	7.7
177.09123	2.7
177.12730	2.4
181.04973	4.8
181.08575	6.3
187.06020	3.0
191.10715	2.4
195.10175	7.3
199.06001	94.9
207.13812	3.1
209.11723	5.0
213.07550	9.5
223.09566	2.5
223.13284	4.5
227.09138	6.6
231.40700	1.9
237.11223	3.2
237.14861	2.3
240.08699	5.0
241.10532	7.8
251.16457	2.3
255.12213	10.2
265.18112	3.5
269.13684	9.8
279.19556	2.5
283.15393	5.9
293.17230	1.7
293.21136	2.1
297.16913	5.0
307.22672	2.2
311.18536	8.8
321.57178	1.6
325.20239	8.0
339.21701	7.5
347.29474	5.3
349.72824	1.8
353.23355	8.6
367.24710	8.7
381.26367	6.7
391.32126	4.6
395.27914	6.1
405.33588	2.1
409.29504	7.4
419.35037	9.2
447.34531	3.5
465.35751	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	465.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
55.05507	7.9
55.66994	1.1
57.03420	2.7
57.06818	1.6
57.07069	23.8
65.03918	3.0
67.05501	5.7
69.03432	1.2
69.07062	14.7
71.05032	1.1
71.08629	18.3
71.25645	2.1
79.05479	5.1
81.07049	7.7
83.04967	9.3
83.08604	8.9
85.10173	9.7
89.58923	1.0
91.05458	3.0
93.03378	2.2
93.07018	4.0
95.04984	1.9
95.08607	8.0
97.06525	4.8
97.10169	5.7
99.04433	5.7
105.07016	2.6
107.04947	4.7
107.08578	3.5
109.06496	3.5
109.10147	4.4
111.04424	18.2
111.08054	1.9
111.11711	2.5
117.05441	1.1
117.07105	1.2
119.08578	2.1
121.06483	1.9
121.10131	3.1
123.04393	2.2
123.08049	3.0
123.11701	2.7
125.02357	11.0
125.05970	14.9
125.09627	1.6
127.03928	7.7
131.08572	1.8
133.06511	1.2
133.10132	1.8
135.04401	3.3
135.08047	3.6
135.11626	2.7
137.05963	3.2
137.09653	1.5
139.03917	4.9
139.07526	1.9
141.05453	2.1
143.03375	1.1
145.10098	1.9
147.11684	2.2
149.09601	2.7
151.03894	2.4
151.07538	3.2
151.11180	1.7
153.05453	100.0
155.07022	2.2
161.13208	1.9
163.11169	2.0
165.09128	2.3
165.12689	1.2
167.07040	7.9
167.10674	1.2
169.04912	2.9
177.09088	3.3
177.12726	1.7
179.14220	1.7
181.03577	1.1
181.04881	6.2
181.08580	7.0
181.12375	1.2
187.06053	4.0
189.12798	2.0
191.10686	1.3
193.12227	2.7
195.06532	1.6
195.10150	7.9
195.13725	1.4
199.06001	91.4
205.08546	1.4
205.12263	1.3
207.13725	2.9
209.11775	5.9
213.07573	7.1
221.15359	1.9
223.09653	2.7
223.13277	4.5
227.09181	3.9
237.11116	2.0
237.14886	3.0
240.08672	3.1
241.10706	6.6
251.12801	2.0
251.16437	2.7
255.12251	7.8
265.14517	1.2
265.17944	2.8
269.13882	9.2
279.16089	1.6
279.19315	2.5
283.15387	6.7
293.17587	1.5
293.21103	2.5
297.16763	5.1
307.19080	1.4
311.18515	10.0
321.20807	1.9
325.20148	9.5
339.21664	9.1
347.29413	4.8
349.23349	1.5
353.23209	6.5
365.95038	1.1
367.24655	7.5
381.26294	6.1
391.32254	2.3
395.27890	6.1
409.29477	6.3
419.34955	9.7
447.34622	4.2
465.35733	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
53.22501	0.1
55.01865	0.3
55.05505	1.0
57.03413	0.2
57.07065	0.3
65.03935	0.2
67.01851	1.7
67.05492	1.0
67.36552	0.1
69.03399	0.2
69.07069	1.0
69.28619	1.6
72.08115	0.1
78.04659	0.1
79.05479	0.8
81.07056	2.1
83.04977	0.4
83.08608	0.6
85.02887	0.9
91.05465	1.7
93.07038	8.2
95.04978	0.8
95.08591	2.0
97.06546	0.2
97.10168	0.2
102.96545	0.1
105.07007	0.5
107.08587	0.6
109.06552	0.2
109.10127	0.8
111.04435	0.2
111.08072	0.8
111.11628	0.1
119.08577	0.3
121.06490	2.8
121.10132	0.4
123.08059	0.3
123.11693	0.4
124.05211	0.2
125.06016	0.2
127.03857	0.1
131.08560	0.2
133.10147	0.1
133.24811	0.1
135.11690	0.3
137.05994	0.3
137.13214	0.2
139.07539	4.9
139.11147	0.1
145.10042	0.1
146.09991	0.1
147.11703	0.2
149.05974	5.9
149.13249	0.2
151.07536	1.8
153.05467	0.1
159.11804	0.2
165.09120	0.2
166.06241	0.2
167.07030	100.0
168.07362	0.8
175.07506	0.2
177.09117	0.2
179.17787	0.2
181.08546	0.2
188.03856	0.4
189.09102	0.2
191.10651	0.4
205.12260	0.2
207.10083	0.2
209.04433	0.2
217.12260	0.2
251.00316	0.4
252.00526	0.8
252.99971	2.1
253.17957	0.2
293.28409	0.4
308.05756	0.1
325.07263	0.3
337.07043	0.1
338.04108	0.2
339.03638	0.3
350.08255	0.2
379.11694	0.2
391.11710	0.2
394.06595	0.2
409.09085	0.5
410.09631	0.1
411.32755	0.2
429.33664	0.5
447.14456	0.2
447.35080	0.6
461.66968	0.2
465.07932	0.5
465.15631	0.7
465.36044	1.3
466.07236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01851	2.3
55.05506	28.4
57.07077	15.4
65.03946	3.6
67.05499	25.0
68.38468	2.0
69.03421	3.0
69.06717	4.1
69.07063	57.4
69.53060	21.2
71.04995	2.6
71.08276	2.1
71.08609	12.1
79.05499	10.6
81.07050	47.5
83.01317	2.9
83.05002	3.4
83.08614	31.3
85.06525	3.2
85.10165	7.1
89.06035	9.8
91.05466	13.5
93.07024	16.6
93.84682	2.2
95.04954	8.3
95.08604	50.4
97.06554	3.6
97.10174	13.5
99.04452	27.4
99.79077	2.3
105.07029	16.2
107.04922	9.6
107.08585	14.0
109.06512	9.3
109.10143	27.3
111.04431	10.4
111.11702	6.0
113.05974	18.4
117.07014	5.2
117.79819	2.4
119.04911	2.5
119.08573	13.2
121.06496	55.2
121.10123	10.5
123.08049	8.7
123.11736	12.7
125.05984	39.9
125.13197	3.4
131.08534	8.7
133.06415	3.6
133.08571	7.8
133.10104	7.7
135.04419	3.7
135.08049	10.4
135.11687	4.9
137.05980	11.2
137.09560	5.3
137.13211	6.7
139.07500	3.7
141.05482	2.7
143.08492	3.7
145.10103	10.3
147.11668	6.4
148.72481	2.0
149.09604	3.2
149.13240	5.9
151.03874	7.6
151.07512	8.3
151.11177	3.2
151.14836	2.6
153.05466	5.4
155.07027	2.9
157.10077	4.0
159.11674	7.2
161.09636	4.9
161.13261	5.5
163.07527	20.0
163.11145	2.8
165.05479	6.1
165.09116	7.6
167.06996	3.9
169.04961	5.1
171.06476	3.5
171.11682	6.1
173.13246	5.0
175.11191	6.9
175.14804	3.7
177.09100	15.6
177.12688	2.4
178.09901	4.5
179.10658	7.2
187.11200	3.4
187.14818	3.4
189.12744	3.5
189.16432	2.3
191.10686	7.9
191.14365	2.5
193.12183	4.0
203.10713	3.3
205.12161	4.0
215.10687	2.6
217.12251	8.0
221.11673	3.6
221.22406	2.2
222.86443	2.1
235.13354	2.6
239.12717	2.8
247.17004	3.4
275.20032	3.1
294.77200	2.5
299.27304	12.9
303.23041	2.9
305.21277	2.9
305.24750	3.2
309.20636	2.9
317.28366	8.1
331.29852	3.2
345.70227	2.8
357.27524	3.4
365.26804	2.5
387.32462	7.6
401.34189	51.3
411.32440	10.0
419.35135	13.3
429.33682	63.5
447.34692	100.0
448.34793	2.7
465.35684	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01863	1.0
55.05486	2.1
57.03434	8.7
61.02910	1.1
61.59701	0.9
67.05483	1.5
69.03418	6.0
69.36978	9.1
70.06573	1.9
71.01331	0.8
71.04985	64.7
72.08137	3.4
73.02911	2.2
75.04473	2.4
79.05470	1.1
81.03392	2.5
81.07034	2.7
82.06577	1.0
83.04973	4.5
85.02895	100.0
86.09708	0.8
87.04446	2.8
91.05447	1.4
95.04951	1.9
95.08591	1.3
95.86772	0.9
96.04510	0.9
96.72856	0.8
97.02883	16.0
98.06008	1.3
99.04458	1.7
103.03914	1.9
108.08097	2.0
109.02872	3.4
110.06038	1.1
111.04426	4.2
115.03904	1.0
119.04906	0.8
120.08035	1.0
122.06031	3.2
123.04404	1.5
125.05994	1.3
126.05511	1.3
126.09167	1.0
127.03896	12.2
129.05464	20.9
134.03644	1.1
136.07529	4.7
138.09094	1.6
139.03821	1.0
140.07048	27.0
145.04942	13.5
146.08087	2.0
147.04420	6.2
147.06482	11.4
149.05919	1.1
150.09181	1.7
152.07039	5.4
154.08629	1.4
163.03889	3.6
163.06023	8.5
164.07072	7.1
164.09171	7.5
165.05478	1.0
167.03406	1.2
171.13783	3.0
177.05504	1.3
178.08623	5.4
182.08113	39.8
193.04881	1.3
206.08099	20.0
218.08084	2.0
233.06804	0.8
236.09105	2.1
241.14981	0.9
242.15140	1.6
248.09117	4.6
257.07776	0.9
266.10095	1.9
276.39731	1.0
278.57526	1.0
284.11322	4.8
285.07474	5.3
293.82159	1.0
301.07031	4.9
302.07391	4.1
302.12341	14.5
303.08041	10.9
303.13330	2.0
334.38730	0.9
465.18405	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	465.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01855	9.1
55.05510	5.9
57.03428	18.3
57.07066	15.4
59.05002	8.6
61.02930	17.3
67.05498	13.8
69.03430	28.1
69.07056	9.6
70.06592	8.7
70.11568	1.6
71.01348	5.6
71.04977	6.8
71.61444	2.3
71.61823	1.8
72.08167	8.2
73.02915	100.0
79.05492	3.3
79.38342	1.8
81.03425	6.1
81.07047	6.0
83.04974	3.4
83.08624	5.4
83.61169	2.1
84.08119	2.4
85.02905	41.3
85.06535	7.5
86.09715	3.0
87.04464	5.4
91.03947	2.4
91.05482	5.2
93.07051	6.7
95.04968	6.0
95.08602	69.2
97.02878	31.8
97.06539	5.5
98.97624	2.0
99.08103	10.7
102.86224	1.7
103.03942	2.3
105.07030	3.4
107.08589	7.3
109.02851	5.1
109.06508	14.9
109.10168	11.5
111.08068	5.1
111.11705	2.1
112.07608	2.8
113.09635	83.3
114.10299	2.4
115.03912	25.4
119.04921	2.0
119.08555	3.8
121.02860	3.2
121.06522	2.0
121.10110	2.0
123.04416	6.3
125.21352	1.7
127.03912	16.1
127.11193	14.5
133.04967	23.3
135.08121	2.1
135.11678	11.6
137.02344	2.6
137.09575	2.5
137.13275	5.8
138.05553	3.0
145.02850	2.0
145.04941	11.4
147.04414	8.7
152.07094	2.0
153.12743	71.5
155.14276	20.8
159.11674	2.0
163.06160	2.5
171.13797	42.0
177.05476	5.7
177.12752	5.0
179.05486	6.5
181.08636	1.9
193.08675	4.0
195.13780	6.5
213.14833	21.6
223.00856	1.8
223.05873	2.4
249.14998	3.3
267.15848	5.5
269.04269	1.8
279.16095	4.2
297.16837	2.7
303.04913	12.9
303.13150	3.2
303.18112	3.7
315.04932	10.7
345.05942	9.4
369.05881	5.2
399.07095	2.2
411.07224	2.5
426.15356	1.9
429.08350	2.4
447.09637	4.3
447.21512	2.2
465.11465	8.8
465.17242	3.5
465.23010	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	465.1906
Annotation	Pumilaisoflavone A
Peak:m/z	Relative Intensity
55.01823	0.7
55.05474	1.2
55.11307	0.6
67.05428	1.0
69.07021	1.4
69.36015	5.9
79.05448	0.6
81.06992	2.1
91.05415	1.0
93.06979	1.5
94.93623	0.6
95.08529	2.3
96.55197	0.6
96.74327	0.6
100.29167	0.7
105.07033	3.4
107.08550	0.9
115.05375	0.8
117.03273	0.7
119.08513	0.8
120.33080	0.6
121.10035	0.7
122.57574	0.8
128.06142	0.8
134.03604	5.1
149.05902	0.9
151.07466	0.7
167.06973	2.3
189.05403	2.7
191.14417	0.7
203.06963	0.7
213.05457	1.1
217.10040	0.8
231.06325	1.3
245.09523	2.5
247.07431	1.9
261.09003	1.1
262.09824	1.3
271.76581	0.8
273.09094	1.1
275.06982	1.0
289.08636	3.6
290.09299	2.0
291.09802	0.6
298.04724	1.1
301.08566	2.8
305.11664	1.3
307.09616	1.4
310.04620	4.9
317.07764	1.1
318.08795	6.0
319.09586	0.8
321.07526	1.0
322.04681	1.4
322.08273	1.7
325.07022	7.5
328.06961	0.9
329.08038	3.1
333.11224	9.5
335.09122	0.9
336.09906	2.0
337.06802	2.1
337.10751	1.9
345.07654	1.9
346.08340	16.4
349.06976	1.4
361.10684	42.7
362.10956	1.6
363.08893	1.3
364.09409	13.6
365.09729	0.9
367.11789	0.9
379.11731	100.0
380.12106	2.9
424.77890	0.7
465.19086	85.3
465.29987	2.6
466.19147	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	465.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36084	0.6
55.01861	1.9
55.05513	1.6
57.03432	2.5
61.16167	0.7
69.03429	5.3
69.07066	1.0
69.75687	4.6
70.06593	5.6
71.04990	1.3
72.08153	9.5
73.02906	0.7
74.06085	0.8
79.05489	1.1
81.03414	1.1
81.07061	1.2
84.08134	2.7
85.02905	4.8
86.09698	2.6
89.10767	1.2
91.05470	2.3
93.07018	1.3
95.04971	1.0
97.02898	2.7
97.06545	1.2
98.06087	0.9
98.09688	0.7
98.21499	0.7
99.04430	0.7
105.07024	0.9
106.06525	0.7
107.08560	0.9
108.08121	0.8
108.54408	0.7
109.02930	0.8
110.02428	0.9
110.06007	0.9
114.10291	1.3
115.03893	1.1
117.03356	1.0
119.04939	2.4
120.04468	0.7
120.08104	2.7
121.02876	1.4
122.06054	1.9
124.07603	1.1
124.18186	0.7
127.03925	1.7
129.10223	1.2
131.04921	0.7
131.08624	0.8
132.08080	1.6
133.05008	0.8
134.06000	2.4
136.07556	1.1
137.05968	1.5
138.05524	1.3
140.05865	0.6
140.07059	2.4
142.08698	0.9
145.02853	2.6
146.06024	2.0
147.04413	8.0
147.06866	0.6
148.07611	3.2
150.05539	0.7
152.07036	2.4
154.08562	0.9
158.09772	0.7
160.07622	1.2
161.05945	0.7
162.05489	4.5
163.03909	1.9
164.07088	0.9
166.08647	1.1
167.07091	1.0
168.06595	1.9
171.13786	3.4
172.07516	1.0
173.07234	0.8
174.07869	1.6
175.08768	1.4
176.07077	2.2
177.05397	4.1
178.08635	0.9
185.10652	0.9
186.09171	1.0
187.08698	0.7
188.07069	0.7
194.08177	3.0
196.07550	0.8
197.10757	0.9
198.09163	0.9
199.08647	1.9
200.09462	1.5
201.10210	2.9
206.07988	0.9
209.10791	0.8
213.10263	3.7
214.08589	2.6
214.10959	2.4
215.08226	1.8
215.11836	3.9
216.06674	0.8
218.11769	1.7
223.55688	0.6
225.10304	0.8
226.10748	0.9
227.08148	1.2
227.11734	3.6
228.08760	1.0
229.09691	3.1
229.13327	2.1
230.08080	0.9
230.10297	0.7
232.09659	1.0
235.14496	1.3
239.11865	1.9
241.09740	2.8
241.13330	0.8
242.10432	1.5
243.08945	1.4
243.11324	2.9
244.09602	0.7
244.11925	1.0
250.10971	0.7
253.13388	1.5
255.11327	7.3
256.12119	1.6
257.12906	2.6
259.10867	2.1
267.11310	0.8
269.09879	0.9
269.12897	4.5
271.16360	0.7
273.12378	3.0
274.13083	1.4
275.13828	1.5
277.16501	0.9
279.11014	0.7
281.12823	3.1
283.10745	1.6
285.12292	1.8
287.10541	1.2
287.13934	4.4
288.14676	0.9
295.10797	0.9
297.12543	4.2
298.13104	2.5
299.13910	11.6
301.07117	1.4
301.11890	1.8
302.07361	1.6
302.12628	2.4
303.01862	0.7
303.07861	3.5
303.13269	7.7
315.13364	21.9
316.14175	13.7
317.14584	3.5
323.13989	1.0
325.11563	1.1
327.13489	1.4
337.15521	1.1
339.13419	1.0
341.14999	1.2
343.12817	3.8
345.14398	1.2
353.15033	0.9
355.16681	2.0
357.14569	1.0
365.14825	1.6
373.13916	0.9
375.15417	8.2
381.14752	1.2
383.15964	2.6
387.15488	2.5
393.14490	2.5
399.15436	8.1
400.16583	0.8
401.17294	1.2
411.15411	6.8
419.18164	1.6
422.71277	0.9
429.10721	1.1
429.16550	22.7
430.16907	1.1
447.17593	49.8
448.18045	2.1
465.18680	100.0
466.19003	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	465.1391
Annotation	Okanin 4-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
55.01854	0.6
55.05493	0.9
57.03420	2.0
61.02908	0.8
65.03922	0.5
67.01855	2.4
67.05483	1.2
68.99792	1.8
69.03422	1.5
69.07058	0.7
70.06586	3.2
70.28823	1.4
70.29217	1.1
72.08142	1.7
79.05480	0.8
81.03394	1.9
81.07039	1.6
83.04946	0.6
84.08135	0.8
85.02906	7.2
85.06546	0.8
86.09695	0.7
89.03894	2.3
91.05471	1.4
93.07034	1.5
95.04963	1.6
95.08597	1.3
97.02909	2.5
97.06554	0.6
97.10128	0.5
103.38956	0.5
104.91769	0.4
105.07011	1.1
107.04951	0.5
107.08578	1.4
109.02888	1.3
109.06529	0.5
109.10144	1.3
110.02424	0.6
111.00789	0.7
111.04450	1.0
111.08012	0.5
112.07590	0.6
117.03382	7.2
119.04951	0.7
119.08578	1.0
121.02876	2.7
121.06532	0.6
121.10145	1.4
123.04421	2.1
125.02386	0.9
125.06018	0.8
126.68262	0.5
127.03912	2.4
131.04942	0.6
133.10187	0.5
135.04428	1.7
135.11726	0.6
137.05978	3.5
138.05444	0.5
140.06973	0.5
145.02832	23.1
145.10193	0.7
147.04442	1.2
149.05965	2.8
151.03883	1.7
151.07532	3.3
152.07014	0.7
153.01813	60.0
161.05739	0.6
162.03123	0.6
163.03880	3.2
165.01819	4.6
165.05493	0.6
171.02879	16.6
175.11096	0.6
177.02003	2.6
177.05458	37.5
179.03381	5.8
183.02875	6.4
186.05473	1.1
189.01871	1.2
191.03386	4.6
195.02887	16.9
201.05388	0.5
203.03540	0.9
205.04947	1.1
209.04440	0.8
213.04036	0.6
215.03421	0.5
217.01451	0.7
219.02898	7.2
219.06352	0.5
231.02873	4.9
233.04536	0.8
237.03957	0.8
243.02991	0.8
249.03922	3.2
257.16495	6.8
259.05554	0.6
260.05835	0.5
261.03976	4.6
279.05066	2.4
285.07632	0.7
285.12460	1.1
286.04633	1.6
287.04874	1.1
288.05353	1.5
297.06165	1.4
301.07010	3.0
302.07388	3.5
303.08603	100.0
304.08908	1.9
315.08606	5.6
327.08597	1.7
345.09552	2.4
369.09659	5.5
381.09512	2.6
393.09647	1.0
411.10635	1.1
429.11609	2.5
447.12332	0.6
447.21448	1.0
465.14029	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	465.1389
Annotation	5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucosdie
Peak:m/z	Relative Intensity
53.03939	0.7
55.01853	0.8
55.05499	0.7
57.03411	1.3
61.02900	1.8
65.03918	0.6
67.05489	1.0
68.99791	1.5
69.03426	4.2
69.07066	0.6
70.06576	1.6
71.04969	0.8
71.18182	1.1
72.08146	2.6
73.02888	0.5
79.05473	1.6
81.03394	2.6
81.07052	1.2
84.04510	0.6
84.08127	1.1
85.02900	7.2
86.09684	0.9
91.05466	1.8
95.04952	2.7
97.02894	3.3
97.06509	0.8
98.09650	0.5
99.04430	0.5
105.06988	0.5
107.04941	7.0
107.08549	0.8
109.02843	1.7
109.06532	0.6
109.10132	0.9
111.04459	2.6
111.08125	0.5
112.92877	0.5
112.96529	0.4
113.03418	0.4
119.04948	1.4
120.08086	0.6
121.02855	0.7
123.04415	17.5
125.05939	0.9
127.03867	3.2
131.08542	0.5
135.04399	9.1
137.02335	1.0
137.04993	0.7
137.05968	9.8
139.03893	10.6
141.05457	7.0
145.04939	0.5
147.04395	18.6
149.02287	1.3
149.05948	0.9
151.03923	1.3
153.01851	0.7
153.05392	0.6
157.06458	0.8
159.04240	0.4
163.03893	66.0
164.04158	0.8
165.05469	10.6
165.06851	0.9
167.03389	2.3
169.06421	0.5
173.05981	0.6
175.03876	0.6
177.05469	0.6
181.04945	0.7
187.03903	0.6
193.04942	15.0
197.05910	1.0
199.07492	0.7
201.05461	0.7
207.06435	0.6
208.27576	0.5
211.07535	1.0
215.07152	1.1
217.08562	0.7
229.08563	2.1
239.06889	1.2
242.05669	0.8
243.06531	0.7
257.08105	2.2
267.06503	4.2
269.04422	12.0
270.05209	3.3
285.07547	100.0
286.07892	2.2
303.08597	88.6
304.09079	1.4
447.12726	2.0
465.13840	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	465.1022
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.88091	0.3
53.03924	0.8
54.25714	0.2
55.01866	0.6
55.05500	0.5
57.03416	1.1
61.02920	1.8
67.01839	0.3
67.05518	0.3
68.99786	0.8
69.03421	3.9
69.07056	0.4
70.06573	1.1
70.91945	0.7
71.04975	0.7
72.08148	1.2
73.02893	0.8
79.05486	0.5
81.03414	2.3
81.07044	0.6
83.01295	0.2
83.04957	0.3
84.04493	0.3
84.08121	0.6
85.02901	11.1
86.09689	0.4
87.04451	0.4
91.03933	0.7
91.05447	0.6
93.03401	0.4
93.07037	0.8
95.04956	0.6
95.08578	0.5
97.02878	4.5
98.06026	0.3
99.04443	0.5
101.06007	0.3
104.98678	0.3
105.06988	0.7
107.04984	0.3
107.08575	0.6
109.02898	1.5
109.10174	0.6
110.02402	0.6
111.00790	0.9
115.03880	0.3
119.04967	0.3
119.08524	0.5
120.08102	0.3
121.02841	1.2
123.04423	0.7
127.03925	2.9
136.07509	0.3
137.02325	3.0
137.05917	0.3
145.04962	2.3
145.06090	0.4
147.04353	0.8
149.02324	0.4
152.07057	0.4
153.01816	4.4
158.76004	0.2
161.05975	0.5
163.03908	0.8
164.07001	0.2
165.01833	2.0
166.02567	0.4
173.05986	0.4
183.02879	0.8
183.04385	0.3
187.03915	0.3
191.03445	0.4
195.02963	0.5
195.10100	0.5
201.05515	2.2
205.04770	0.4
215.03531	0.3
229.04932	4.4
235.74973	0.3
238.15955	0.9
238.66125	0.6
239.15955	0.4
247.05916	0.7
257.04453	2.8
261.83896	0.2
274.04703	0.7
283.09134	0.2
285.03998	1.5
285.06735	0.3
291.50244	0.3
303.04974	100.0
304.05368	2.0
447.86438	0.3
465.17514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1024
Annotation	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
Peak:m/z	Relative Intensity
55.01864	2.5
55.05500	2.6
57.03432	3.6
61.02905	2.1
68.99780	2.9
69.03426	5.3
70.06582	4.6
70.25297	2.4
71.62791	3.9
72.08135	11.2
79.49826	2.2
81.03400	5.5
84.04498	5.0
84.08143	6.1
85.02909	11.3
88.92876	2.0
90.92589	2.2
97.02888	7.6
101.06024	3.0
107.04923	3.2
109.02876	3.7
113.12605	2.1
119.04934	3.9
121.02874	4.9
123.04437	22.2
126.05508	5.4
127.03915	13.4
130.06564	2.7
135.04428	6.2
137.02373	2.9
137.06023	2.9
138.05481	2.4
139.03891	4.7
140.07002	2.3
147.04396	14.8
151.03911	4.5
153.01814	79.6
161.65964	2.2
162.09068	2.8
163.03911	8.0
164.04678	3.0
167.07050	3.6
168.06482	3.9
179.03314	3.3
193.04938	3.9
203.03325	2.6
217.05084	3.5
219.02872	46.2
219.14995	2.5
229.05029	3.8
235.14389	2.6
237.04021	11.2
245.04434	4.8
257.04343	2.7
259.06042	3.8
261.03973	7.8
267.11215	2.6
271.05981	20.0
273.03897	9.2
279.04874	2.8
285.12207	2.5
287.05475	7.2
301.07153	3.7
303.04956	21.0
303.08066	7.8
303.13370	5.8
315.04980	53.3
316.05640	3.6
325.05670	2.5
327.05008	28.4
327.08569	4.2
329.06464	7.4
339.05017	4.9
341.06479	5.9
345.05994	51.7
353.06519	4.1
355.08105	11.5
356.10330	2.4
357.05884	7.5
369.05975	24.7
375.07080	12.9
381.05975	15.3
383.07715	6.6
393.06070	4.1
399.06921	4.6
411.07236	12.2
429.08160	22.0
447.09229	86.9
448.09549	2.5
465.10229	100.0
465.15594	4.3
465.28986	4.9
466.10953	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	463.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84405	1.4
52.03522	1.7
55.01859	4.8
55.05503	11.7
57.07065	14.6
57.45929	1.4
60.94017	1.6
67.05504	1.9
69.07057	15.6
69.69691	9.9
71.08617	12.9
75.68724	1.5
79.05495	4.4
81.07050	6.2
83.08608	8.2
85.10165	6.8
91.05452	2.2
93.07067	2.3
95.04964	3.5
95.08613	4.0
97.02882	3.1
97.10157	10.1
105.03400	3.1
105.07069	2.7
107.04928	8.9
107.08590	2.3
109.02878	8.5
109.06496	1.6
109.10163	1.9
111.11732	5.1
115.03959	2.5
121.06540	2.7
121.10207	1.7
121.76518	1.8
123.04411	4.3
125.02341	17.2
125.05993	2.0
129.07043	1.9
133.02878	2.9
135.04382	13.4
137.05978	4.5
147.08044	1.8
151.03886	18.9
151.07532	1.8
153.05464	3.9
161.02325	9.2
161.06090	2.4
165.05374	2.5
167.03433	2.5
169.05078	1.8
179.03395	13.8
179.07002	4.1
181.05003	2.4
185.04449	7.9
191.10622	1.6
193.08655	1.9
197.04437	100.0
201.41895	1.9
211.06044	6.7
221.08183	1.8
224.17276	1.6
225.07553	4.1
238.07085	3.2
239.09172	3.2
253.10652	3.9
267.12201	4.4
281.13870	3.9
295.15457	3.5
309.16992	4.3
323.18542	6.7
337.20114	4.4
351.21582	4.0
365.23190	3.2
379.24551	2.3
387.60657	2.1
392.62619	1.8
393.26181	2.6
403.35449	3.4
407.27881	2.6
417.33377	3.5
463.33966	35.9
485.12616	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
55.05523	12.3
56.96546	2.0
57.07073	3.6
61.02930	1.8
65.03937	1.8
67.05500	19.5
69.07070	19.1
70.44694	6.7
71.08614	2.3
79.05475	6.4
81.07050	37.3
82.37368	1.9
83.04989	2.5
83.08598	11.9
85.02897	2.3
85.06557	5.3
91.05463	5.3
93.07032	16.9
95.04965	3.7
95.08595	27.3
97.06503	2.0
97.10152	6.9
98.21463	2.5
105.07029	6.4
107.08590	6.0
109.06490	4.4
109.10145	12.9
111.08105	2.0
111.11713	3.0
117.06922	1.8
119.08591	5.0
121.06488	4.2
121.10168	4.1
123.08055	2.7
123.11699	9.1
131.08572	2.0
133.10127	3.8
135.08035	2.7
135.11703	5.6
137.05980	6.3
137.13249	6.8
138.06740	2.0
139.07527	5.2
141.05453	6.7
145.10078	2.6
149.05963	6.4
149.13255	4.0
151.07520	15.4
151.14790	2.5
152.07851	2.4
159.08040	2.8
159.11632	3.7
165.05530	6.1
165.09163	2.3
166.06299	5.0
167.07034	100.0
175.07603	3.4
177.09113	2.9
179.06947	2.0
181.08600	4.1
187.11130	1.9
189.09036	4.1
191.07040	3.7
192.07712	2.3
193.08615	2.9
201.09026	3.2
203.10699	3.7
205.08562	11.7
207.10135	8.3
215.10664	3.0
219.10165	6.0
221.11647	3.7
233.11786	4.5
241.94165	2.1
247.13348	2.5
301.07034	4.1
409.30740	2.5
427.31915	9.4
445.33301	15.4
446.33841	2.6
463.29776	3.8
463.34995	3.8
464.34821	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	463.3414
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
53.03931	0.5
55.01857	0.3
55.05508	7.2
57.07073	2.3
65.47942	0.3
67.05511	1.7
69.03417	0.4
69.07063	11.5
69.82398	0.6
69.82816	1.2
71.08605	0.8
79.05489	1.0
81.07051	2.3
83.01333	0.3
83.04976	0.4
83.08615	4.7
84.71506	0.2
85.10168	0.4
91.05479	0.7
93.07036	1.3
95.01329	1.1
95.04982	0.6
95.08617	1.8
97.02865	0.3
97.06509	0.3
97.10167	2.2
98.20827	0.5
99.00809	5.9
99.04461	1.7
103.16842	0.3
105.06986	0.8
107.04925	0.5
107.08581	1.1
109.02889	0.7
109.06490	0.5
109.10135	0.8
111.04416	0.3
111.11718	0.6
113.02354	1.5
113.06010	0.3
114.85242	0.3
117.01845	1.2
117.06970	0.3
117.21228	0.3
119.04887	0.4
119.08586	0.7
121.06521	0.5
121.10145	0.8
123.04420	0.4
123.08082	0.4
123.11707	0.5
125.05981	1.1
131.03371	0.4
131.08562	0.6
133.06421	0.3
133.10146	0.4
135.04419	1.0
135.08032	1.2
135.11673	0.2
137.05949	0.7
139.07538	0.6
145.10120	0.7
147.08041	0.3
147.11613	0.3
149.05981	1.1
149.09596	0.5
151.07561	0.7
153.05464	2.6
155.07028	0.3
161.09546	0.4
163.03934	0.5
163.07506	1.7
163.11223	0.4
165.09090	0.4
167.07123	1.2
175.06168	0.3
175.07529	0.6
175.14691	0.3
177.05519	1.1
177.09108	1.4
177.10448	0.3
181.03355	0.6
181.04947	10.6
181.10069	0.3
183.06548	1.6
189.09093	1.4
191.07002	1.6
191.10666	0.9
195.06520	25.8
196.06937	0.4
199.05963	0.6
203.10703	0.4
205.08615	1.1
205.12274	0.6
207.06448	0.4
209.08078	15.7
217.12418	0.3
219.10252	0.7
221.08118	0.4
222.07568	0.4
223.09631	16.6
224.10254	0.3
233.11740	0.3
235.09628	0.7
237.11197	11.3
249.11307	1.3
251.12779	8.6
263.12857	0.8
265.14359	4.5
277.14386	0.6
279.15860	2.4
291.16003	0.4
293.17511	1.7
305.17337	0.5
307.19058	2.9
319.19061	0.9
321.20584	1.2
333.20578	0.6
335.22244	0.7
363.25577	0.5
375.25055	0.3
377.26749	0.5
389.26758	0.6
419.84631	0.4
445.33292	7.3
446.33414	0.4
463.34192	100.0
464.34567	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	463.3414
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
53.00279	0.8
55.05503	10.2
57.07055	3.5
67.01839	1.5
67.05502	11.8
69.03416	1.0
69.06709	1.4
69.07059	16.7
71.07001	1.6
71.08614	1.8
79.05473	3.4
81.07053	27.2
83.04980	1.5
83.08620	6.2
85.06512	2.0
85.10126	0.9
86.89358	0.8
87.86240	0.8
91.05463	2.9
91.34515	0.8
93.07043	11.4
95.04963	1.9
95.08601	23.6
97.10158	6.2
103.05441	0.8
105.07030	4.0
107.08583	4.2
109.06536	1.4
109.10148	12.7
111.04469	1.3
111.11686	2.4
119.08549	2.1
121.06518	1.0
121.10152	2.1
123.08046	1.4
123.11688	6.8
125.13274	1.0
131.08548	1.7
135.08047	1.6
135.11671	2.7
137.05936	7.0
137.13232	3.9
139.03839	1.9
139.07542	3.8
141.05455	8.2
147.08040	1.8
149.05936	3.9
149.09525	1.0
149.13214	1.3
151.07524	12.5
151.14803	1.1
153.05426	1.2
157.10175	1.1
159.08060	0.9
159.11694	1.8
161.05952	1.2
161.09615	1.0
163.07507	1.3
163.14801	1.9
165.05479	6.6
165.09151	2.7
165.16420	1.1
167.07028	100.0
168.07397	1.7
172.08781	1.2
173.09689	1.7
175.07556	1.8
177.09084	2.8
177.12695	1.1
177.16338	1.2
179.06978	1.6
179.10677	1.0
179.17984	1.4
181.08580	3.7
182.68379	0.9
187.11203	1.0
189.09093	3.6
191.07043	5.3
191.10608	2.2
191.18018	1.1
192.07814	0.9
193.08565	3.7
200.38200	0.9
201.09059	1.9
203.10701	2.1
205.08586	11.2
205.12172	2.8
207.10144	8.7
215.10658	3.9
219.10181	5.5
221.11644	2.2
229.12234	1.5
233.11722	4.4
247.13278	2.4
247.24294	0.9
257.15408	1.0
289.76065	0.9
291.26785	2.1
399.32620	1.4
409.31030	2.3
427.32040	10.6
428.32224	0.8
432.29828	0.8
445.33121	10.1
463.34262	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	463.3414
Annotation	Polyporusterone F
Peak:m/z	Relative Intensity
52.91335	3.1
53.05109	4.0
55.05506	21.6
57.07067	9.3
61.55390	3.8
67.05513	23.0
69.07063	41.9
70.83762	7.5
70.84134	7.4
79.05472	11.5
79.91728	3.3
81.07051	51.9
83.08617	15.3
91.05500	6.9
91.74121	3.3
93.07051	24.2
95.08598	50.7
97.10159	9.2
99.04494	4.1
105.03789	3.7
105.07028	13.0
105.24876	3.4
107.08597	18.0
109.06542	4.6
109.10136	25.7
111.11705	6.3
119.08569	11.0
120.56109	3.6
121.06424	6.8
121.10120	8.3
123.11678	11.0
128.72408	3.4
131.08549	4.3
133.10147	6.9
135.08078	4.3
135.11722	6.5
137.05986	7.7
137.13264	4.4
139.07529	5.2
141.05467	6.3
147.11618	4.7
149.02301	3.7
149.05971	4.4
149.13284	7.9
151.07544	14.9
152.43381	3.5
159.11688	7.6
163.07507	6.6
165.05469	7.8
165.09077	7.1
167.07022	100.0
167.08397	6.6
168.07487	5.3
173.09575	4.8
177.05519	7.6
181.08592	3.9
182.61137	3.6
188.53868	3.8
189.09131	10.9
191.17940	4.9
195.06451	5.5
201.09096	4.2
203.10709	5.1
205.08630	10.4
207.10149	7.0
210.04637	3.5
215.10677	5.1
223.09438	3.5
233.08003	6.3
237.11299	8.3
245.11804	4.2
249.11298	5.4
261.25714	4.2
301.07159	5.5
352.61960	3.6
382.20038	4.5
409.31213	4.6
427.32153	28.0
445.33124	59.9
454.21286	3.7
463.17590	7.7
463.34589	21.1
468.12607	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	463.3415
Annotation	Stoloniferone F
Peak:m/z	Relative Intensity
53.03945	0.9
55.01865	1.3
55.05503	10.9
56.44294	0.8
57.03425	1.1
57.07066	4.2
61.32892	0.8
61.96563	0.8
63.21031	0.8
67.05502	19.4
69.03387	1.0
69.07067	15.5
70.42888	0.9
71.05001	1.8
71.08634	3.1
71.36475	1.9
79.05509	6.8
81.07055	27.2
81.36613	0.8
83.04971	3.7
83.08620	8.8
85.06556	1.7
85.10173	2.0
89.31670	1.0
91.05487	5.3
93.07045	11.1
95.04955	3.1
95.08599	24.5
97.06503	1.0
97.10165	5.9
99.40680	1.0
105.07019	5.0
107.08601	5.3
109.06504	2.8
109.10150	13.6
111.04340	1.1
111.08049	2.2
111.11702	3.9
117.07022	1.1
119.08577	4.7
121.06485	2.4
121.10150	4.3
123.08072	2.2
123.11717	5.7
127.03832	1.1
131.08563	3.0
133.10138	2.6
135.08040	2.7
135.11653	2.9
137.05975	10.4
137.09595	1.0
137.13283	3.5
139.07553	3.5
141.05464	1.0
145.10106	1.6
147.08095	1.9
147.11687	1.7
149.05952	4.0
149.09685	1.2
149.13220	2.5
151.03935	3.1
151.06400	1.6
151.07541	19.3
151.14807	2.0
153.05440	2.4
155.07043	1.1
157.10135	2.0
159.11682	2.4
161.05981	3.3
161.09619	1.7
161.13237	1.1
163.14801	1.0
165.05449	9.9
165.09091	6.3
167.07036	100.0
168.07372	2.0
169.04970	4.6
171.11659	1.1
173.09660	1.4
175.07579	2.9
175.11209	1.7
177.05508	1.2
177.09113	3.6
179.07010	1.9
179.10582	1.8
181.05019	1.5
181.08569	2.6
185.09610	2.7
187.11116	1.6
187.14862	1.1
189.09103	7.0
191.07053	2.4
191.10664	1.8
193.08636	3.4
199.05986	1.8
203.10721	4.6
205.08630	5.5
205.12245	2.7
207.10211	4.5
213.12807	1.0
217.12276	2.7
219.10233	2.4
221.11673	2.5
233.11748	1.0
235.13387	1.1
285.15421	1.6
301.06918	1.2
353.24567	1.3
371.25894	1.0
381.31363	1.3
399.32532	1.1
409.31070	1.5
415.31805	2.0
427.31982	7.8
433.33060	1.2
445.33368	9.1
463.34848	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05506	8.4
57.07067	14.4
67.05492	4.5
69.07063	15.6
69.15864	1.7
69.60219	4.9
69.60645	10.5
71.08617	11.8
78.27840	1.8
79.05479	3.6
81.07049	4.4
83.08623	8.5
85.10175	9.2
90.39567	1.7
91.05483	3.1
91.61306	1.7
93.07027	2.2
95.08627	4.2
97.02922	3.1
97.10181	6.3
105.03386	3.6
105.07019	3.8
107.04945	10.1
107.08592	1.9
109.02913	7.4
111.11714	4.9
115.03934	2.3
119.08574	2.1
123.04469	3.5
125.02343	16.8
133.02869	4.3
133.06570	1.9
135.04408	13.6
137.05995	3.5
148.08716	2.2
151.03848	13.4
153.05467	7.4
161.02330	8.2
165.05489	2.3
175.07547	2.3
179.03352	12.6
179.07094	2.5
185.04410	5.1
197.04442	100.0
199.06007	2.1
211.06038	6.2
225.07555	3.7
238.07040	2.1
239.09236	5.5
253.10689	5.8
267.12305	6.2
281.13797	4.1
295.15350	3.0
309.17017	3.3
323.18411	6.0
337.20004	5.6
351.21783	3.2
365.23203	3.0
379.24557	2.5
393.26270	3.5
407.27658	5.4
417.33740	4.4
463.33929	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3429
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
52.96396	1.2
55.05509	10.1
57.07067	5.4
67.01871	1.7
67.05499	14.6
67.10227	1.1
69.03425	1.2
69.07063	17.3
69.82973	3.7
69.83373	2.7
71.08621	2.2
78.42986	1.1
79.05492	4.1
81.07051	31.1
82.07401	1.9
83.05017	2.1
83.08623	7.6
85.02881	2.2
85.06539	3.3
91.05496	3.7
93.07034	10.6
95.04971	3.7
95.08601	28.8
97.10147	5.5
98.21423	1.4
99.04475	1.0
99.08096	1.7
102.78753	1.1
105.07017	3.6
107.08601	8.0
108.08953	1.6
109.02815	1.2
109.06496	2.0
109.10149	14.5
111.08075	1.2
111.10995	1.0
111.11722	5.4
119.08575	3.1
121.06493	2.8
121.10139	4.4
122.10450	1.3
123.11691	9.0
127.03889	1.0
133.10074	1.9
135.08038	2.7
135.11691	4.7
135.82434	1.1
137.05948	6.8
137.13246	4.8
139.07536	3.5
141.05473	6.9
143.08594	1.1
145.10106	1.8
147.08070	1.7
147.11681	2.4
149.05963	3.6
149.13268	3.6
151.07529	14.3
151.14722	1.7
157.10117	1.5
159.08015	1.5
159.11676	4.3
161.05943	1.8
161.09683	1.6
163.14859	1.5
165.05519	5.4
165.09149	3.4
167.07036	100.0
168.07416	1.3
172.08983	1.3
175.07478	1.1
177.09148	3.0
179.07069	2.2
179.10657	1.4
181.08598	4.5
187.11096	1.4
189.09093	3.0
191.07076	3.3
191.10695	2.0
191.17992	2.2
192.18347	1.2
193.08644	5.8
195.02791	1.6
203.10678	2.2
205.08623	8.3
205.12187	2.6
207.10197	11.1
215.10732	4.1
219.10147	4.8
221.11749	5.0
229.12379	1.3
233.08102	1.6
233.11687	5.3
247.13332	4.5
265.25305	1.6
279.26965	1.9
291.26730	1.3
303.19528	1.4
310.10709	1.5
363.25345	1.7
373.33582	2.5
409.31113	1.6
427.32089	9.3
445.28769	6.9
445.33185	10.1
463.17160	2.0
463.30328	21.2
463.39902	5.3
464.30127	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01875	0.4
55.05507	1.1
57.07060	0.4
64.72963	0.1
65.03931	0.2
67.01854	1.5
67.05500	1.8
69.03414	0.5
69.06770	0.1
69.07066	1.7
69.66603	1.1
71.04988	0.3
72.08122	0.1
79.05476	1.0
81.03400	0.3
81.07054	4.3
82.07413	0.2
83.04972	0.5
83.08603	0.8
85.02890	0.8
85.06130	0.1
85.06542	1.4
86.96131	0.1
91.05472	1.9
93.07043	7.6
94.07351	0.2
95.01315	0.2
95.05001	0.7
95.08601	3.2
97.02881	0.2
97.06516	0.5
97.10136	0.4
99.08075	0.5
103.05534	0.2
105.07027	0.8
107.04967	0.3
107.08592	1.2
109.02892	0.2
109.06522	0.4
109.10148	1.8
111.04431	0.4
111.08076	0.8
111.11681	0.3
117.07013	0.2
119.08543	0.6
121.06509	2.9
121.10162	0.8
123.04420	0.3
123.08044	0.6
123.11707	1.0
124.05199	0.3
125.05978	0.4
125.09636	0.1
125.13247	0.2
127.03938	1.0
131.08575	0.4
133.10109	0.5
135.04466	0.2
135.08052	0.3
135.11685	0.8
137.05995	0.8
137.09602	0.2
137.13234	0.4
138.06734	0.3
139.06480	0.3
139.07539	4.6
141.05463	0.1
145.10106	0.3
147.04318	0.3
147.07994	0.1
147.11671	0.5
149.04739	0.3
149.05971	5.5
149.09604	0.2
149.13298	0.6
151.07533	2.8
153.05444	0.4
155.06950	0.2
157.10107	0.3
159.11688	0.2
161.09544	0.2
161.13203	0.2
163.11153	0.2
163.14815	0.5
165.05463	0.3
165.09106	0.6
166.06207	1.0
167.07033	100.0
168.07343	1.7
173.09558	0.2
173.13367	0.1
175.07573	0.2
175.14799	0.2
177.05528	0.2
177.09088	0.4
177.16414	0.3
179.10715	0.2
181.08543	0.8
187.11119	0.2
189.09084	0.3
189.12711	0.2
191.10640	0.7
191.18028	0.2
193.08641	0.3
203.10703	0.2
203.17992	0.3
205.08598	0.4
205.12227	0.5
207.10143	0.9
217.12160	0.3
233.11684	0.2
237.57906	0.1
279.26843	0.1
291.27060	0.6
301.06995	0.6
323.05518	0.2
349.10797	0.2
363.08548	0.2
409.31271	0.2
427.32571	0.7
445.33578	1.7
463.17480	0.3
463.34421	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01873	0.2
55.05510	0.8
55.94411	0.1
57.03419	0.2
57.07064	0.4
65.03960	0.2
67.01855	1.6
67.05220	0.1
67.05505	1.6
69.03416	0.3
69.07060	1.6
70.06579	0.2
71.62542	0.2
72.08150	0.4
79.05479	1.2
81.03405	0.4
81.07050	4.6
83.01316	0.2
83.04972	0.5
83.08614	0.5
84.08127	0.2
85.02899	0.8
85.06549	1.1
86.09684	0.3
91.05469	2.5
93.07035	8.6
94.07351	0.2
95.04961	1.4
95.08591	3.2
97.02879	0.4
97.06513	0.5
97.10139	0.4
99.04449	0.2
99.08080	0.6
103.05468	0.3
105.07020	0.9
107.04964	0.3
107.08587	1.4
109.02859	0.2
109.06489	0.4
109.10144	1.9
111.04426	0.3
111.08073	0.9
111.11705	0.2
113.09596	0.2
113.67679	0.1
117.07036	0.2
119.04925	0.2
119.08570	0.8
121.06503	2.4
121.10123	1.1
123.08050	0.4
123.11700	1.1
125.05947	0.3
127.03911	0.3
131.08572	0.4
133.10103	0.6
135.04417	0.2
135.08034	0.4
135.11670	0.8
137.05963	0.7
137.09628	0.3
137.13203	0.3
139.07532	5.3
141.05479	0.2
143.08560	0.2
145.06473	0.2
145.10101	0.5
147.04388	1.0
147.11723	0.5
149.05972	6.5
149.09508	0.2
149.13257	0.7
150.06363	0.2
151.07527	4.1
151.10991	0.2
151.14850	0.2
153.05417	0.5
153.09131	0.2
157.10114	0.2
159.07932	0.2
159.11697	0.5
161.06001	0.2
161.09596	0.2
161.13271	0.3
163.03888	0.5
163.07541	0.3
163.11194	0.2
163.14803	0.4
164.04207	0.2
165.09097	1.7
165.12694	0.2
166.06238	0.4
167.07024	100.0
168.07358	1.9
173.09601	0.2
173.13239	0.2
175.11223	0.2
175.14882	0.2
176.11467	0.1
177.05482	0.3
177.09117	0.5
177.16426	0.2
179.10596	0.3
181.08589	0.5
187.11046	0.2
187.78079	0.1
189.09048	0.4
189.16415	0.2
191.10660	0.9
191.17990	0.2
199.11177	0.2
203.10693	0.2
203.17842	0.2
205.12134	0.7
207.10172	0.6
209.11794	0.2
213.12526	0.1
218.11606	0.2
231.13789	0.2
291.26691	0.5
301.07019	0.5
303.19064	0.2
339.15030	0.2
357.15909	0.2
414.46802	0.1
427.32111	0.6
432.81244	0.2
445.33606	1.4
463.17395	0.2
463.27390	1.4
463.33911	1.2
463.79242	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41545	5.0
51.93155	4.9
52.25889	4.6
54.12348	5.4
55.01848	6.8
55.05510	34.2
57.03430	8.9
57.07064	7.0
63.16344	5.3
65.03918	8.9
67.05503	65.2
68.47617	5.5
69.07067	45.3
71.04973	5.9
71.65113	5.9
79.05485	56.1
81.07053	85.4
83.04973	11.6
83.08617	22.3
86.38076	6.4
91.05466	64.5
93.07031	61.2
95.04984	9.6
95.08601	61.4
97.06534	11.0
97.10140	14.0
105.07027	67.9
107.04963	8.0
107.08587	34.5
109.06484	15.0
109.10161	25.6
115.05387	6.5
117.07007	28.5
119.08576	50.6
121.06539	12.9
121.10141	21.9
123.11714	9.2
126.24944	5.3
129.06982	18.9
131.08563	57.2
133.10098	30.2
135.11647	8.4
137.05952	9.6
143.08607	27.1
144.25212	5.5
145.10091	37.2
147.08067	5.1
147.11748	8.4
149.09583	10.7
155.08597	9.7
157.10106	11.6
159.11700	18.1
165.05463	14.9
167.07088	20.4
169.10129	7.2
171.11702	13.0
181.10161	10.1
183.11684	11.1
185.13202	9.7
187.14905	7.4
195.11800	6.1
197.04404	7.2
199.14845	8.3
209.13293	10.2
217.12511	5.5
225.22113	5.3
311.40778	6.3
332.06918	5.6
343.26227	10.0
353.24734	25.1
371.25729	41.8
389.26938	48.7
406.52985	7.3
445.29260	100.0
463.30090	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	463.3048
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03931	5.2
55.01856	3.3
55.05506	26.1
56.96552	3.5
57.03423	9.6
57.07058	3.7
61.02925	2.3
65.03923	4.9
65.22680	1.1
67.05498	88.5
69.03406	3.0
69.07062	30.9
70.97381	1.2
71.04980	7.5
73.02909	1.4
77.03905	1.5
79.05484	65.9
81.03397	4.5
81.07048	100.0
82.07352	1.3
83.04976	9.4
83.08614	19.9
85.02880	1.9
85.06542	8.1
91.04879	2.0
91.05470	61.7
93.07035	80.5
94.40077	1.1
95.04971	15.8
95.08600	45.1
97.02859	1.9
97.06522	14.1
97.10155	4.9
98.20768	2.5
99.04427	2.6
99.08089	2.2
103.05457	2.0
105.04533	1.5
105.07019	47.1
107.04944	5.2
107.08579	36.2
109.06538	8.1
109.10136	13.8
111.08044	6.5
111.11712	1.6
113.05992	1.8
115.05430	2.8
116.98679	1.6
117.07008	23.8
119.04945	2.8
119.08566	31.2
121.06483	8.1
121.10120	24.7
123.04476	1.4
123.08090	2.9
123.11703	5.7
125.09578	2.1
127.07595	1.5
128.06203	3.6
129.06996	13.7
130.07861	1.5
131.08559	37.1
133.06479	2.5
133.10120	25.9
135.08061	5.5
135.11667	11.2
137.09532	1.2
140.74570	1.3
141.06995	4.9
142.07750	2.3
143.08553	14.9
145.06442	2.7
145.10123	17.6
147.08038	4.4
147.11685	6.6
149.09612	5.3
149.13235	29.0
151.07530	2.5
151.11162	2.8
155.08531	7.3
155.51506	1.4
157.10109	9.0
159.08051	1.8
159.11673	21.4
161.09613	2.3
161.13257	3.8
163.11084	1.5
167.07037	3.6
167.08482	2.6
167.14258	1.7
169.10118	7.0
171.08034	2.0
171.11696	7.5
173.09538	1.7
173.13278	4.4
175.14912	1.6
177.12756	5.7
181.10005	3.1
183.11716	4.8
185.09590	1.4
185.13261	6.8
187.11165	1.7
187.14870	3.4
189.86426	1.2
195.11748	4.5
195.13785	15.9
197.13268	4.2
199.11243	1.5
199.14740	2.2
201.12772	2.1
201.16328	2.2
209.13240	3.3
211.14778	2.6
213.16525	1.5
217.15926	1.6
218.46939	1.3
223.14796	2.5
227.17789	1.4
229.66917	1.6
233.15294	3.0
241.16003	2.2
245.15465	1.6
247.16959	4.4
251.16353	1.5
257.18976	1.4
259.16931	2.0
261.18588	2.6
269.10608	2.4
273.18445	1.9
287.11603	1.4
293.05231	1.4
301.06952	1.4
307.24222	1.7
325.25317	3.6
335.23770	6.5
343.26279	6.8
353.24786	21.1
371.25766	26.2
389.26785	25.4
417.29947	2.0
427.28168	3.2
445.29379	60.5
446.30460	1.3
463.30536	97.1
464.31134	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	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01860	4.6
55.05511	24.5
55.62551	1.6
56.51211	1.5
57.03430	6.5
57.07068	2.4
59.31021	1.5
59.63319	1.8
59.76974	1.6
60.77474	1.8
65.03938	3.0
66.12665	1.4
67.05499	62.3
69.03433	2.6
69.07066	24.0
71.04990	5.6
71.62404	2.4
73.90429	1.9
79.05489	52.2
81.03422	3.9
81.07052	65.8
83.04970	5.4
83.08618	12.8
85.02853	1.9
85.06522	4.8
90.28385	1.6
91.05476	66.7
93.07038	45.2
95.04963	12.8
95.08606	45.4
96.16559	1.7
97.02909	1.8
97.06520	4.8
97.10162	6.6
99.04439	1.8
99.08095	2.4
103.05447	2.7
105.07021	58.2
107.04938	4.8
107.08595	27.6
109.06547	8.2
109.10157	15.4
111.08076	4.2
115.05473	3.3
117.07001	29.5
119.08573	38.0
121.06499	9.0
121.10143	17.3
123.04395	3.1
123.08074	5.4
123.11720	4.5
125.05887	1.7
125.09698	2.2
128.06238	3.2
129.06992	19.5
130.07793	1.8
131.08560	48.7
133.06479	3.7
133.10130	23.5
135.08035	7.0
135.11703	8.1
137.06012	4.1
137.09610	3.1
139.07549	1.7
141.07014	5.3
142.07756	3.2
142.81192	1.8
143.08546	19.8
145.06520	3.2
145.10115	29.3
147.04379	4.0
147.08008	5.5
147.11668	6.6
149.09628	5.6
149.13251	5.0
151.07492	3.8
155.08527	11.7
156.09276	2.3
157.10133	14.6
159.08028	3.9
159.11699	16.4
161.09669	3.3
161.13234	6.4
163.11240	2.0
165.05478	3.0
165.09203	1.8
167.07047	17.0
167.08598	5.2
169.10124	11.8
171.11665	10.7
173.09558	3.3
173.13258	6.1
175.11121	2.5
175.14809	2.4
177.12733	1.8
181.10081	5.7
183.11723	6.3
185.13272	4.3
187.11159	2.6
187.14723	3.8
189.12773	1.8
189.16371	3.4
191.10864	1.7
191.14375	2.2
195.11714	7.0
197.13196	5.4
199.14894	3.3
201.12766	3.0
201.16344	1.8
205.15749	2.1
209.13239	3.5
211.14841	4.3
213.12761	2.7
213.16478	2.6
217.16037	2.5
219.13808	2.7
223.14868	1.8
225.09779	1.8
225.16335	2.9
227.14294	2.6
229.15829	2.4
233.15334	2.9
245.15347	3.9
247.16962	2.9
259.16922	2.5
261.18542	4.2
273.18460	2.5
283.16803	2.4
287.20294	2.4
290.61230	1.9
301.07095	2.0
307.24005	2.0
307.66220	2.0
322.24637	2.4
325.07013	2.1
325.25226	7.0
335.23560	10.0
343.26166	12.9
348.06686	1.9
353.24725	34.0
371.25751	49.2
389.26825	49.2
389.31744	3.8
427.28201	5.5
445.29419	100.0
463.18146	4.1
463.30432	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.01877	1.9
55.05508	15.3
57.03419	2.9
57.07059	3.5
65.03911	2.1
67.05498	26.0
69.06716	1.4
69.07063	20.4
70.68105	1.1
70.68452	2.5
71.04955	1.1
71.08620	1.2
73.06529	1.0
78.49600	0.8
79.05056	1.5
79.05490	22.4
81.03417	1.2
81.07050	26.7
83.01317	1.1
83.04956	3.0
83.08609	9.3
85.06530	1.8
91.05471	28.2
93.06462	1.4
93.07036	24.1
93.10704	0.8
95.01328	1.1
95.04967	4.1
95.08596	18.5
96.77666	0.8
97.06509	3.2
97.10161	5.0
99.00797	6.7
99.04449	1.8
103.05461	1.1
105.07027	25.1
107.04942	3.0
107.08578	11.6
109.06507	3.3
109.10143	6.3
109.20043	0.8
111.08053	1.7
111.11696	1.0
113.02350	1.5
115.05431	1.6
117.01847	1.6
117.07008	13.9
118.06559	0.9
119.08575	16.6
121.06487	3.4
121.10136	7.9
123.08022	1.7
123.11709	1.9
125.05986	1.1
125.09566	1.0
128.06186	2.0
129.06972	8.8
130.07713	0.9
131.08563	21.3
133.06442	2.6
133.10115	12.8
135.04367	1.1
135.08043	3.1
135.11681	2.9
137.05949	1.3
137.09579	1.5
139.11139	0.8
141.06987	3.5
142.07784	1.4
143.08531	7.5
145.06494	2.5
145.10094	12.3
147.08017	3.2
147.11699	4.2
149.05882	1.7
149.09552	1.8
149.13197	2.8
151.07544	1.2
153.05417	2.3
155.08516	4.2
157.10124	6.1
159.08081	1.4
159.11690	5.3
161.09625	1.8
161.13234	1.6
163.07538	2.3
167.07123	1.5
167.08476	1.7
169.10063	5.3
171.11659	5.1
173.13272	2.5
175.07507	0.8
177.09106	0.8
181.04950	10.8
181.10077	2.1
183.06543	1.8
183.11708	2.4
185.13191	2.9
187.14777	2.5
189.09079	1.8
195.06499	31.4
195.11681	1.8
195.13573	1.1
197.13193	3.8
199.05975	1.0
201.12682	0.9
201.16415	2.1
205.08521	1.5
209.08073	16.3
209.13213	2.2
211.14764	1.8
213.12709	0.9
213.16350	1.0
217.12311	0.9
217.15796	1.2
223.09657	16.3
229.15910	1.0
231.64891	0.9
233.15370	2.2
237.11157	13.3
237.16327	1.4
247.16853	1.7
249.11209	1.7
251.12769	9.2
259.16849	1.9
261.18491	1.5
263.12680	1.4
265.14307	3.6
267.16898	0.9
273.18457	1.6
279.15878	2.1
293.17395	2.3
307.18979	2.1
319.19098	1.4
321.20663	1.2
325.25186	3.4
331.09457	1.1
333.20877	0.9
335.23447	3.5
343.26212	6.2
349.10855	1.7
353.24695	13.5
371.25769	20.0
389.26822	20.9
427.28110	1.3
445.28983	39.3
463.17206	3.1
463.34753	100.0
464.34506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03921	4.1
55.01859	3.0
55.05502	17.8
57.03421	6.7
57.07072	4.3
65.03928	2.3
67.05499	69.7
69.03413	3.3
69.06718	2.3
69.07065	31.8
71.04979	6.7
71.62882	3.0
71.63242	2.2
72.08174	1.9
79.05486	41.5
81.03412	2.2
81.07047	93.1
82.40810	1.7
83.04988	10.5
83.08611	17.7
85.06509	5.3
91.05466	27.7
93.06465	3.8
93.07037	64.4
95.04963	11.2
95.08036	2.7
95.08592	28.1
97.06061	1.5
97.06529	14.3
97.10180	2.9
99.08070	4.1
103.98280	2.1
105.07018	16.5
107.08582	32.7
109.06512	4.1
109.10138	8.3
111.04421	1.8
111.08069	8.4
117.06995	8.2
119.08559	7.4
121.06471	4.2
121.10126	22.1
123.11664	2.2
127.24364	2.1
129.07019	2.4
131.08554	12.2
133.10088	10.0
135.08076	2.2
135.11702	12.2
137.05954	4.2
139.07521	2.2
139.11168	3.1
144.46326	1.9
147.08081	1.7
147.11661	4.5
149.09616	2.1
149.13245	45.3
151.07545	2.8
159.11665	17.6
163.66292	1.6
167.07062	14.4
175.14807	1.9
177.08989	2.0
177.12695	10.0
195.07996	1.7
195.13802	19.4
195.51476	1.8
213.14813	4.8
269.12601	2.0
269.17780	2.3
303.58469	1.9
363.08725	2.6
371.25732	3.5
427.32742	2.3
445.28601	3.1
445.33978	2.6
463.30450	100.0
464.30707	1.8
466.49185	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	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02374	0.9
53.03943	4.1
55.01863	1.9
55.05506	18.9
57.03432	6.7
57.07059	3.1
57.64690	0.9
65.03925	3.8
67.01836	0.9
67.05499	75.4
69.03409	1.3
69.07063	27.0
70.64107	2.7
71.04990	7.0
71.08605	1.4
72.08124	1.2
74.80665	0.8
77.03875	1.0
79.05486	50.9
81.03401	4.0
81.07050	96.0
83.04963	7.5
83.08613	18.3
85.02888	1.3
85.06531	5.9
91.05474	31.9
92.71988	0.8
93.07036	64.9
95.04966	9.9
95.08598	29.0
95.09214	0.8
97.06518	11.1
97.10151	2.7
97.97551	0.9
99.08090	2.6
105.04523	1.4
105.07026	15.7
107.04951	1.7
107.08589	37.9
109.06522	4.5
109.10155	8.3
111.08072	8.3
115.05453	0.8
117.07009	11.1
119.08564	7.4
121.06477	4.0
121.09291	1.8
121.10126	20.7
123.08058	2.0
123.11714	4.6
125.05988	1.3
125.09646	1.0
129.06984	2.5
131.08553	15.3
133.06471	0.9
133.10110	16.5
135.08037	3.1
135.11676	12.6
137.05960	1.4
139.07510	3.4
139.11153	2.5
143.08527	2.8
145.10109	3.2
145.23903	0.8
147.08022	0.9
147.11684	4.1
149.05951	2.8
149.09511	1.6
149.13243	36.7
151.07536	4.1
151.11163	2.5
157.10152	2.2
159.11678	16.5
161.13313	1.3
165.09047	1.2
165.12752	0.9
167.07027	43.1
167.14267	1.6
168.07397	1.2
169.10054	1.7
171.11613	1.3
177.09198	1.3
177.12743	8.5
183.11694	1.1
187.14853	1.6
191.10695	1.3
195.13792	22.5
213.14856	3.4
233.15417	1.5
239.81357	0.8
251.16214	1.5
252.00569	1.6
253.00047	1.1
323.05505	2.0
335.23755	0.9
353.24484	2.5
363.08780	1.2
371.25897	4.2
389.26648	2.6
445.29041	7.3
463.17401	4.2
463.30472	100.0
464.09384	1.4
464.31168	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	463.1595
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
51.02395	0.3
53.03933	1.2
54.49209	0.3
55.01859	1.0
55.05499	1.2
56.88090	0.3
57.03437	2.0
57.07064	0.4
58.66103	0.3
59.05000	0.4
61.02919	2.3
65.03929	0.6
67.05496	3.6
68.19198	0.3
68.99780	4.4
69.03422	8.2
69.07049	1.7
70.06590	0.5
71.04640	0.3
71.04963	1.5
71.62553	0.4
72.08133	0.5
73.02901	2.1
79.05493	2.6
81.03410	3.6
81.07053	4.7
83.04970	0.9
83.08603	0.6
85.02897	14.5
85.06538	1.2
87.04444	1.7
91.03952	0.7
91.04947	0.6
91.05470	6.0
93.07035	3.4
95.04957	3.4
95.08605	3.6
97.02888	5.1
97.06519	3.0
97.10157	0.7
99.04443	1.9
101.02395	0.3
103.03936	0.4
103.05465	1.0
105.03385	0.8
105.07013	2.7
107.04939	1.6
107.08572	2.3
109.02881	2.4
109.06503	2.8
109.10166	2.3
111.04436	1.8
111.08100	0.8
116.44700	0.3
119.04904	0.6
119.08591	1.5
119.09337	0.3
121.02832	0.3
121.06513	1.5
121.10127	1.7
123.04416	25.5
123.08067	1.3
123.11690	1.1
124.04729	0.3
125.05965	0.8
125.09606	0.6
127.03911	3.6
127.11253	0.3
129.07014	0.4
131.08569	0.6
133.02896	0.3
133.06488	0.5
133.10120	1.3
135.08052	2.1
135.11647	1.5
136.05225	0.7
137.05971	6.9
137.09615	0.5
137.49805	0.3
139.07492	0.6
139.11180	0.3
143.08493	0.4
145.04947	1.2
145.10078	1.0
147.04395	1.0
147.11696	0.6
148.05190	0.7
149.05981	6.5
149.09644	0.8
149.13242	0.6
151.07535	7.9
153.05475	1.0
153.09074	0.3
159.11697	1.0
161.05975	0.6
161.09560	0.5
161.13203	0.6
163.03880	0.7
163.07529	6.5
163.11143	0.4
165.05458	83.5
165.09108	1.5
166.05768	1.2
167.07018	5.5
168.07443	0.6
171.11662	0.3
173.09659	0.5
177.05414	0.4
177.09145	0.5
179.07022	10.7
179.10669	0.4
187.07535	0.3
187.10997	0.4
189.05424	0.5
189.09070	0.5
191.07004	1.5
191.10678	1.8
191.14117	0.3
193.12175	0.4
195.10199	0.4
199.11169	0.4
203.10646	0.4
203.62392	0.3
205.12254	0.9
205.39807	0.4
207.09998	0.4
209.18877	0.4
217.12073	0.4
255.06462	0.4
273.11206	1.3
277.25189	0.3
301.10657	100.0
302.10968	2.9
319.25980	0.3
343.12051	0.3
379.11829	0.4
427.28204	0.7
445.29044	0.8
463.15747	1.4
463.26770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
50.13750	0.1
52.44016	0.1
55.05501	0.2
68.99782	0.3
69.03423	0.1
69.07067	0.2
69.72070	0.7
69.72478	0.3
70.06597	0.2
72.08137	0.2
79.05486	0.3
81.07034	0.4
85.02911	0.3
89.03922	0.1
91.05467	0.2
93.07035	0.5
95.04946	0.1
95.08588	0.4
97.02884	0.2
105.07038	0.2
107.08576	0.2
109.02840	0.1
109.10173	0.1
110.02433	0.2
111.00774	0.1
115.05380	0.1
121.06480	0.3
121.10125	0.1
123.00790	0.5
123.04402	0.2
124.01582	0.4
127.03892	0.1
129.07059	0.2
131.04913	0.4
131.08560	0.2
133.10138	0.2
134.03622	2.7
137.05942	0.2
145.06499	0.3
147.04391	0.5
149.02293	0.7
149.06021	0.2
151.07509	0.5
152.01047	0.5
153.01810	7.7
157.06444	0.4
161.02316	0.2
169.06444	0.1
170.02107	1.3
171.04370	0.2
174.06654	0.2
175.03912	0.4
185.05922	0.3
187.03835	0.3
191.10655	0.2
195.10197	0.2
197.05978	0.3
199.03903	0.6
201.05470	0.2
202.06216	0.5
212.04701	0.2
213.05441	2.7
214.05864	0.2
229.04933	4.6
230.05695	2.6
241.04929	10.6
242.05289	0.2
245.08075	1.2
257.04425	0.3
258.05194	0.8
268.03616	0.3
269.04425	14.7
270.04727	0.4
273.07562	0.4
285.03787	1.2
286.04688	15.2
287.05069	0.4
301.07031	100.0
302.07385	2.5
313.07068	0.2
356.70740	0.2
463.11810	0.2
463.31598	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	463.1232
Annotation	Tectoridin
Peak:m/z	Relative Intensity
53.88454	0.2
55.01843	0.6
55.05478	0.9
55.82204	0.2
57.03402	0.5
57.14742	0.2
59.25163	0.3
61.02899	0.3
67.05477	0.2
69.03387	1.1
69.07034	0.6
69.34153	2.9
70.06591	1.9
71.04972	0.4
72.08151	4.1
73.02840	0.3
74.68886	0.2
76.02183	1.1
79.05456	0.4
81.03411	2.4
81.07011	0.8
83.04954	0.5
84.04451	0.8
84.08141	2.8
85.02900	2.6
85.06519	0.4
85.08421	0.3
86.09698	2.0
87.04436	0.4
88.03978	0.5
91.05445	1.1
93.07016	0.6
95.04919	0.8
95.08582	0.3
97.02895	1.3
98.21490	0.6
103.05438	0.3
105.07001	0.5
107.04906	1.1
107.08596	0.3
109.02863	0.7
109.10088	0.2
110.06032	0.4
110.07140	0.7
116.01665	0.6
118.04089	0.2
119.04929	1.4
119.08546	0.3
120.08057	0.5
121.02867	2.3
123.04374	0.4
127.03870	1.0
129.10193	0.7
133.06050	0.4
133.10086	0.4
134.03625	1.7
134.05962	1.0
135.04381	0.4
136.11179	0.8
136.78644	0.3
138.09015	0.2
140.04659	0.4
144.01117	0.4
145.02809	0.5
146.05995	0.5
147.04384	3.0
147.11598	0.3
148.04768	0.4
148.07532	0.6
149.08366	0.4
153.01823	3.0
162.02124	0.6
163.03877	0.7
164.07066	0.3
167.03387	1.4
167.07037	0.4
168.00533	1.2
170.02095	0.4
175.11270	0.3
177.05585	0.4
179.03490	0.5
179.04872	2.0
186.01614	2.2
193.12221	1.3
197.05840	0.3
200.10802	1.6
200.12299	0.3
201.05495	0.3
203.03348	0.7
212.04607	0.3
213.05406	0.6
215.03389	0.5
218.11787	0.6
221.04497	0.4
229.04857	1.9
229.13353	2.8
230.05685	0.9
231.06442	0.3
233.04442	0.3
235.14336	0.3
240.04134	0.6
241.04967	0.8
245.08156	0.4
251.07088	0.3
255.06516	0.9
258.05228	0.8
267.15869	0.7
268.03723	0.6
269.04373	1.0
270.05286	0.5
271.05774	0.4
273.07513	0.8
275.07367	0.3
283.06033	2.1
283.14465	0.5
285.03946	2.7
285.07562	3.0
286.04712	34.9
287.05103	0.9
295.05948	1.0
299.05542	0.3
301.07053	100.0
301.15372	16.3
302.07367	2.9
308.06821	0.5
309.07434	0.3
321.07544	1.7
331.16870	0.5
333.07693	1.2
349.07089	1.6
351.08624	0.5
359.09164	0.4
361.07019	2.0
361.10776	0.5
375.08502	0.3
379.08157	2.0
387.08746	0.5
389.10211	0.9
415.08112	1.3
417.09769	0.9
427.07892	0.4
433.09079	0.5
445.09268	3.0
445.15619	0.5
463.10941	6.8
463.21457	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
57.03407	0.2
67.05485	0.3
68.99786	0.3
69.03410	1.0
69.07089	0.3
70.06567	0.7
71.04990	0.5
71.61817	0.3
72.08143	1.1
73.02916	0.5
81.03394	0.4
81.07037	0.4
83.04966	0.2
84.08135	0.3
85.02888	1.1
85.06552	0.2
91.05465	0.5
95.04945	0.2
97.02872	0.6
98.97600	0.4
105.03353	0.5
107.04935	0.9
109.02853	0.2
119.04916	0.6
121.02876	0.5
123.04445	1.5
124.01504	0.2
124.03944	2.4
125.04281	1.0
127.03889	0.4
133.02782	0.2
134.03621	4.4
135.04372	0.3
137.02335	0.3
137.06036	0.3
139.03937	0.3
140.07085	0.4
141.32637	0.2
146.05984	1.2
147.04381	1.6
147.06732	0.3
148.04803	0.4
153.01820	4.8
157.04977	1.5
161.02319	0.6
163.03903	0.3
167.01961	0.5
167.03378	8.5
167.07069	0.3
170.02071	0.5
170.99596	0.2
174.05406	0.3
175.03876	0.6
175.07481	0.4
176.03062	0.3
176.04393	0.5
177.00726	0.3
179.29773	0.2
185.03967	0.3
187.10773	0.3
203.06992	2.1
207.06483	0.6
208.06841	0.7
213.05484	0.4
215.07011	0.3
216.04179	1.4
217.04999	0.5
217.08609	0.3
229.04970	0.4
230.05775	0.4
231.06514	5.0
239.08582	0.3
240.04462	0.3
242.08154	0.5
244.03712	0.3
245.08055	0.7
258.05212	0.4
259.06012	0.9
268.03619	1.5
269.04459	1.8
273.07596	0.4
283.05975	3.1
284.06372	0.3
285.03915	1.6
286.04630	4.6
287.05212	0.2
301.07031	100.0
302.07404	2.0
322.09213	1.1
339.10648	0.6
340.11050	1.3
374.99619	0.2
428.00815	0.3
463.12057	0.8
463.21210	0.6
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-galactoside
Peak:m/z	Relative Intensity
55.83581	0.1
69.61957	1.2
70.55412	0.1
91.99090	0.1
105.91438	0.1
123.04410	0.7
124.01572	0.3
128.78203	0.1
134.03609	3.1
138.51430	0.1
140.35797	0.1
146.05991	0.7
152.01071	0.3
153.01817	4.3
161.02347	0.3
163.03900	0.2
167.03421	1.7
170.02097	0.6
175.47949	0.1
199.33144	0.1
202.06242	0.3
213.05450	0.3
229.04916	2.0
229.08473	0.2
230.05746	1.6
240.04236	0.2
241.04977	0.5
245.08167	0.5
255.06613	0.2
258.05188	0.4
268.03586	0.4
269.04440	1.1
273.07315	0.2
283.05978	0.3
285.03915	2.5
286.04703	16.4
287.04996	0.5
301.07040	100.0
302.07391	2.4
463.12192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.123
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
55.05494	0.2
57.03417	0.1
61.38918	0.1
67.05489	0.5
69.03398	0.3
69.07056	0.3
69.72313	1.0
70.06575	0.3
71.04945	0.2
72.08131	0.4
79.05477	0.3
81.03425	0.2
81.07038	0.4
83.04970	0.2
84.08131	0.2
85.02888	0.4
87.73546	0.1
91.05461	0.2
91.53645	0.1
93.07052	0.2
94.10061	0.1
95.04942	0.3
95.08574	0.4
97.02866	0.2
97.06515	0.2
98.20811	0.3
104.26052	0.1
105.07011	0.3
107.08579	0.3
109.02860	0.2
109.10123	0.4
110.30690	0.1
111.91621	0.1
115.07473	0.1
119.08588	0.2
121.10094	0.2
123.04409	0.4
125.05907	0.1
125.09669	0.1
127.03893	0.5
131.08527	0.2
133.06427	0.2
133.10052	0.2
135.11644	0.2
137.05942	0.5
145.09996	0.2
147.04381	0.2
149.05917	0.1
151.03908	0.2
151.07532	0.7
153.01826	0.3
161.05957	0.2
163.03824	0.1
165.05490	0.1
165.09167	0.1
167.06979	0.2
175.03989	0.1
191.10677	0.2
228.20782	0.1
229.04924	0.3
257.04562	0.2
258.05228	12.5
259.05630	0.4
283.06183	0.2
286.04700	33.0
287.05017	1.2
301.07040	100.0
302.04156	0.3
302.07394	3.1
313.07047	0.4
378.14563	0.2
404.31436	0.1
463.12082	1.5
463.26816	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	463.1229
Annotation	Hispidulin 4'-glucoside
Peak:m/z	Relative Intensity
55.01818	1.3
55.05452	0.6
57.03387	1.2
67.01830	0.4
67.05466	0.5
69.03382	0.5
70.06557	0.7
71.29487	0.8
71.29817	0.6
72.08084	1.4
78.19713	0.4
79.05447	0.6
81.03353	1.4
81.07021	0.6
83.01339	0.5
85.02896	3.3
91.05404	0.6
93.07009	0.7
95.04932	0.6
95.08553	0.5
97.02877	1.0
97.06480	0.6
99.04435	0.5
103.03903	0.5
105.07036	0.5
107.04884	0.5
107.08537	0.6
109.02803	1.7
109.10098	0.5
119.04871	0.5
121.02896	2.2
123.04354	3.9
123.05476	7.9
127.03855	0.9
133.02805	0.4
133.10031	0.5
137.02225	1.0
138.05467	0.4
141.01744	1.6
147.04353	1.2
149.02316	0.5
149.05925	2.7
151.03891	5.0
163.03853	0.9
165.01830	8.5
167.03336	2.1
175.03833	1.8
177.01805	0.9
179.03322	0.5
183.02844	5.3
183.07631	0.4
187.03922	0.9
189.01736	0.7
191.03357	1.0
193.04799	0.6
195.02821	1.6
213.05394	0.8
215.03354	0.9
217.04926	0.5
229.04901	0.9
233.04344	0.8
243.02763	0.7
243.06516	1.4
254.05775	0.7
255.09694	3.4
257.04343	0.7
258.05173	0.9
259.05927	0.7
261.04010	1.5
268.07339	0.7
269.04327	0.4
269.07959	0.7
270.05188	2.5
271.06009	2.6
272.06454	0.4
282.05185	4.8
283.05753	1.0
283.09491	0.6
284.06485	0.5
286.04742	2.4
292.07263	0.9
294.04977	0.8
296.06723	8.6
297.07568	4.1
298.04697	18.0
299.05295	1.7
300.06259	7.0
301.07080	12.4
301.10614	1.8
306.37231	0.5
308.06839	1.1
309.07504	1.4
309.74133	0.5
310.04633	4.3
310.08353	4.0
311.05667	0.7
311.09058	5.2
312.06271	1.6
313.07019	100.0
314.07620	8.1
320.06778	2.6
321.07422	0.5
324.06216	10.5
325.07095	6.6
325.10745	1.2
327.05099	0.9
327.08325	2.6
328.05750	15.7
329.06488	0.5
331.39832	0.5
333.07370	0.8
335.09055	1.5
336.06259	1.7
337.06985	1.9
338.04129	0.4
338.07809	8.1
339.04956	1.7
339.08560	15.6
340.08783	0.6
341.06738	1.0
343.08096	78.2
344.08408	2.4
348.06360	2.8
349.06674	0.5
351.08588	1.9
352.05734	1.2
353.05923	0.9
353.10129	14.8
354.10175	0.6
355.08224	1.1
361.06854	0.6
363.08676	3.0
364.05545	2.5
365.06427	0.9
366.07413	1.3
367.08090	42.9
368.08453	1.5
376.05823	2.6
379.08081	11.1
380.08514	0.7
381.09744	2.8
391.08087	9.1
391.12991	0.7
394.06888	2.6
397.09167	29.9
398.09406	1.0
409.09146	22.8
410.09268	1.1
427.10214	26.1
445.11279	22.0
446.11655	1.0
463.11966	8.8
463.24503	7.2
464.12592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01868	0.8
55.05498	1.3
57.03430	0.9
59.14336	0.6
59.47094	0.6
60.04512	1.0
61.02909	0.8
67.05479	0.8
69.03426	3.2
69.07066	1.2
69.31557	7.2
70.06570	2.5
71.04975	2.3
71.90876	0.6
72.08150	4.9
72.21429	0.6
73.02912	0.8
73.06560	0.6
81.03402	2.0
82.06572	1.0
83.04948	0.7
84.08127	3.6
85.02898	9.5
86.06044	1.1
86.09715	1.5
87.04462	1.7
89.06029	70.7
89.10780	1.0
91.05463	1.0
93.07038	1.1
93.87060	0.6
94.06534	0.7
95.01337	0.7
95.04962	0.8
95.08604	0.8
97.02896	5.7
97.06500	1.1
98.06065	1.6
98.09686	2.0
98.97558	1.1
99.04453	0.9
100.07613	0.8
105.07044	0.9
107.04954	1.1
107.07069	4.1
107.33607	0.6
109.02855	2.7
109.06498	0.9
110.02387	0.6
110.06042	0.9
119.04951	1.2
120.08121	0.7
121.02996	0.6
121.10129	0.9
123.04375	0.9
123.06791	1.7
124.03954	0.7
127.03910	3.5
128.07086	0.7
130.08626	1.1
130.51955	0.6
133.06525	3.9
133.08600	33.7
134.03607	1.3
136.07544	1.2
137.02345	0.6
138.05490	9.3
138.09135	0.8
140.07042	1.6
142.08650	0.6
145.04964	1.7
147.04384	7.0
148.04787	0.6
150.05481	1.1
151.09650	1.4
152.07005	1.0
153.01814	2.8
157.05011	1.1
164.07047	0.7
167.07018	0.7
168.06573	0.8
177.11206	14.6
195.12204	2.2
207.06468	0.7
212.07050	1.2
218.11798	1.5
221.13852	1.2
223.07535	3.0
226.08665	0.7
229.04897	0.9
231.06503	0.7
235.14334	1.7
237.02739	0.6
239.14914	1.9
242.08162	1.2
254.08076	1.4
260.09055	0.8
272.09204	1.5
278.10196	2.2
282.07483	1.1
283.17505	100.0
284.17850	2.4
285.04016	0.8
286.04709	4.2
300.05637	1.3
300.08664	14.8
301.07001	30.1
462.13583	15.8
462.18747	1.8
462.26535	2.2
463.14172	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	461.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01860	0.4
55.05511	3.1
57.03407	0.4
57.07064	1.4
64.69911	0.3
65.03925	0.4
67.05160	0.4
67.05499	5.6
69.03413	0.8
69.07062	4.1
70.22768	0.6
70.23157	0.7
71.04979	0.6
72.08135	0.4
79.05494	2.5
79.91310	0.2
81.03396	0.5
81.06572	0.5
81.07053	9.2
82.07358	0.3
82.12759	0.3
83.04983	1.6
83.08608	2.0
85.02885	0.8
85.06520	1.1
85.09718	0.3
85.10181	0.3
86.09647	0.2
89.00597	0.3
91.05472	2.5
92.82172	0.3
93.07039	4.6
95.04945	1.0
95.08600	6.8
97.02887	0.6
97.06488	0.9
97.10153	1.1
98.20782	0.3
99.04438	0.4
99.08051	0.4
100.09034	0.2
100.76700	0.2
103.05376	0.3
105.07022	2.4
107.04923	0.8
107.08578	3.5
109.02822	0.4
109.06527	1.1
109.09444	0.5
109.10148	7.3
111.04452	0.8
111.08102	0.7
111.11686	0.8
117.07008	1.1
119.08556	4.6
121.06458	1.5
121.10145	2.5
122.07300	1.8
123.04395	0.7
123.08037	1.2
123.11709	2.0
125.05969	0.9
125.09597	0.7
125.13290	0.6
127.03909	0.7
127.11160	0.4
129.07011	0.5
131.08556	0.9
133.10072	1.2
135.04373	0.3
135.08018	1.0
135.11653	1.7
137.05971	1.3
137.09604	11.9
137.13226	0.6
139.07535	0.9
141.07040	0.3
143.08530	0.7
145.06456	0.5
145.10077	0.9
147.04372	0.5
147.11658	1.1
149.05974	0.9
149.09570	0.8
149.13223	1.1
151.07533	6.9
151.11209	0.5
151.14734	0.6
153.05463	0.7
157.10129	0.5
159.08093	0.5
159.11668	0.9
161.09621	0.5
161.13268	0.8
163.07544	0.6
163.14793	0.6
165.09100	100.0
166.09425	1.2
167.07043	11.3
171.11703	0.4
173.09610	0.6
173.13257	0.4
175.07489	0.5
175.11169	0.6
175.14807	0.4
177.05353	0.3
177.09090	1.4
177.12808	0.4
181.04979	0.3
183.50677	0.3
185.13271	0.3
187.11145	0.6
187.14870	0.3
189.09096	0.9
189.12794	0.5
189.16437	0.4
191.07011	0.4
191.10629	2.8
191.17908	1.2
199.11148	0.4
201.09082	0.3
203.10622	2.4
203.17947	0.3
205.08597	0.6
205.12231	2.2
207.10149	0.6
209.18971	2.9
213.12816	0.3
215.10519	0.6
217.12251	0.6
219.13754	0.3
227.20050	0.6
229.12167	0.4
231.13712	0.4
243.13931	0.3
269.09235	0.4
271.16815	0.4
279.07553	0.3
291.26840	0.7
299.09305	0.4
309.27859	2.9
369.24051	0.4
425.30194	0.6
443.30786	1.3
443.35892	0.7
461.16086	1.3
461.27841	0.6
461.32751	0.6
462.16208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3985
Annotation	Myrrhanol A
Peak:m/z	Relative Intensity
52.96802	1.2
53.03922	1.5
55.01881	1.4
55.05507	11.3
57.03411	1.5
57.07084	6.0
59.10207	1.1
67.05499	21.9
69.07060	23.9
70.03261	4.5
70.03675	2.7
71.04993	2.0
71.08615	2.0
79.05477	14.2
81.07053	60.6
83.08608	13.6
85.06532	5.4
91.05482	12.2
91.99522	1.2
93.07036	47.8
95.04940	5.9
95.08598	87.6
97.06520	3.8
97.10160	6.8
99.08070	2.7
104.29630	1.4
105.07021	22.8
107.08587	90.7
109.06510	2.9
109.10146	55.1
111.08075	15.6
111.11674	3.1
117.06991	1.8
119.08569	31.8
121.06484	1.9
121.10130	66.9
122.10476	1.6
123.08064	1.7
123.11695	41.1
123.12567	2.3
125.09607	3.2
125.13260	1.5
128.64752	1.3
131.08551	4.0
133.10117	23.7
135.08148	1.5
135.11682	43.2
137.09615	1.8
137.13245	14.1
139.07552	3.8
139.11206	1.7
145.10120	7.8
147.11690	21.3
149.05957	3.8
149.13249	31.3
151.07510	3.0
151.11195	1.6
151.14789	4.1
153.12740	4.6
157.10133	2.0
159.11664	12.2
161.13258	16.8
163.14809	47.1
165.09079	2.8
165.12729	2.9
165.16380	2.5
167.07033	65.1
167.14313	5.1
168.07216	1.4
171.11624	1.9
173.13246	4.4
175.07484	1.3
175.14828	10.5
177.16353	9.5
179.14261	7.4
179.17885	1.5
181.04979	1.9
181.08339	1.3
181.15887	13.0
185.13295	1.9
187.14838	6.4
189.16364	15.9
191.17928	66.6
201.16400	6.0
203.17928	22.4
205.19525	4.5
207.17352	9.3
209.18947	2.0
215.17970	2.2
217.19507	19.2
221.19040	4.2
227.85226	1.7
229.19475	3.2
231.21019	3.9
233.19080	2.7
235.20557	3.1
247.20581	1.8
257.22635	1.8
269.10565	1.8
275.23724	1.6
277.25482	1.8
295.26172	1.9
334.31018	2.5
353.31854	6.4
371.33054	73.5
372.33182	2.2
389.34091	24.0
396.16177	1.4
415.35510	2.1
425.37985	7.7
443.39001	20.4
461.40189	100.0
462.40610	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	461.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01874	0.6
55.05510	4.0
55.70317	0.4
57.07065	2.5
58.06587	0.4
60.29061	0.4
65.03938	0.6
67.05497	6.2
69.03407	0.5
69.07059	5.4
69.98739	1.6
69.99167	1.3
71.04967	0.9
71.08611	1.4
73.73360	0.5
79.05495	2.4
81.07052	14.9
83.08614	3.1
85.06526	0.7
85.10163	0.5
91.05447	1.6
93.07049	3.6
95.01311	1.3
95.04940	0.9
95.08603	11.1
97.10134	1.6
99.00807	6.3
99.04422	1.8
105.07001	1.6
107.04921	0.6
107.08581	2.6
109.02866	0.6
109.06504	1.1
109.10156	6.7
113.02354	1.6
115.97693	0.4
117.01846	1.4
117.07013	0.6
119.08562	2.1
121.06519	0.6
121.10173	3.0
123.04418	0.5
123.11715	3.4
125.05959	1.1
131.08536	0.9
133.10115	1.6
135.08028	1.0
135.11662	1.7
137.05952	1.0
137.13214	1.2
139.07578	0.8
145.10095	0.9
147.08014	0.6
147.11629	0.5
149.05974	1.0
149.09575	0.6
149.13220	1.4
151.07480	1.2
151.14809	1.1
153.05452	3.2
155.07053	0.6
159.11633	0.6
161.09546	0.5
161.13242	0.7
162.78882	0.5
163.07603	2.3
163.11201	0.8
165.05441	1.3
165.09105	0.6
165.12708	0.5
167.07014	3.8
175.14780	0.5
177.09076	1.6
181.04941	13.8
182.15315	0.5
183.06459	1.2
184.16882	1.1
189.09143	0.7
189.12712	0.4
189.16582	0.6
191.06960	1.3
191.10660	0.9
193.08315	0.4
195.06509	25.8
199.14839	0.5
201.09126	0.5
201.16600	0.5
203.17966	0.5
205.08577	1.3
205.12212	0.7
207.10080	1.0
209.08078	14.9
219.10124	0.9
223.09639	12.8
237.11198	11.2
247.13283	0.5
249.11201	0.7
251.12790	8.9
265.14374	3.9
279.15869	1.9
293.17334	1.7
293.22144	0.7
307.19058	1.4
321.20560	1.4
333.20804	0.5
334.31006	4.3
335.22055	0.7
363.25311	0.9
443.31268	2.4
443.36209	1.6
461.32434	100.0
461.37033	7.6
462.32788	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	461.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01853	2.3
55.05509	11.7
57.07062	3.0
59.29691	1.5
67.01874	1.4
67.05502	13.7
69.07061	11.4
69.71997	11.8
71.03148	1.8
79.05474	8.5
81.03375	1.9
81.07055	29.4
83.04977	2.6
83.08603	4.4
85.02905	1.7
85.98867	1.6
91.05463	5.8
93.07033	19.4
95.04967	4.2
95.08602	25.0
97.10137	4.9
98.15974	1.4
102.65668	1.5
105.07012	5.7
107.08588	11.2
109.06499	5.0
109.10141	12.1
111.08108	1.5
111.11699	2.7
117.06987	1.7
119.08582	5.6
121.06528	3.2
121.10143	6.4
123.11671	4.6
131.08578	3.9
133.10123	3.2
135.08018	2.6
135.11655	5.3
137.05954	6.0
139.03888	1.9
139.07484	6.2
141.05461	6.4
145.10120	1.8
147.11702	2.9
149.05916	3.9
149.09622	2.5
149.13229	5.8
151.07535	14.1
157.10141	2.2
159.11668	3.8
161.05991	2.0
161.13274	3.9
163.07594	2.2
163.11107	2.3
163.14873	3.3
165.04285	1.5
165.05447	8.7
165.09116	5.0
167.07031	100.0
177.09102	5.4
179.10674	1.6
181.08534	2.4
187.11241	3.7
187.89207	1.6
189.09100	4.3
189.16382	1.8
191.07033	4.8
191.10669	2.4
192.07921	1.9
193.08556	4.6
203.10576	3.1
205.08604	11.6
205.12230	1.9
207.10150	7.1
215.10667	4.6
219.10092	4.4
221.11789	1.8
229.12216	3.9
233.11656	5.2
247.13255	2.8
263.23608	2.1
277.25369	2.2
397.30948	2.9
425.30432	7.3
443.31503	10.9
461.32321	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	461.3259
Annotation	Polyporusterone G
Peak:m/z	Relative Intensity
53.03952	2.4
55.05506	18.4
57.03421	1.7
57.07067	11.0
61.18171	1.6
65.03886	1.7
67.05492	10.3
69.07062	34.4
71.08626	3.4
71.38573	3.5
79.05476	5.2
81.07055	23.9
83.04976	2.7
83.08624	17.0
85.10114	1.7
86.81941	1.7
91.05462	4.5
93.07019	10.7
93.44539	1.5
95.08598	21.9
97.06492	2.1
97.10167	12.9
99.08032	1.6
105.06979	4.4
107.08591	9.4
109.06490	3.9
109.10155	12.4
111.08061	2.6
111.11704	6.0
114.23722	1.7
119.08553	4.8
121.06512	3.3
121.10140	6.0
123.08022	4.3
123.11665	9.0
131.08563	2.3
133.10100	3.7
135.08098	2.6
135.11684	6.5
137.05978	13.7
137.13242	3.8
137.29604	1.7
139.07498	4.3
143.08575	1.5
145.10075	3.0
147.08035	4.4
147.11736	1.9
149.05959	5.7
149.09589	2.0
149.13248	4.6
151.07527	33.7
152.07895	1.7
153.05510	1.6
157.10161	2.1
159.08026	2.5
161.05992	4.4
161.09608	2.8
163.07556	2.0
163.14780	3.3
165.05443	9.2
165.09114	9.2
167.07028	100.0
175.07556	6.0
175.11264	1.9
177.09091	7.6
177.16347	1.9
179.07025	6.5
179.10605	3.0
181.08546	3.4
189.09082	15.4
189.12709	1.9
191.06975	4.8
191.10649	4.1
191.17940	1.9
193.08574	5.0
201.09094	1.9
203.10683	8.5
205.08554	12.6
205.12244	2.9
207.10153	9.9
207.17424	1.7
215.10760	2.8
215.84988	1.7
217.12271	3.3
219.10191	2.9
221.11650	3.7
231.13670	2.4
235.13226	2.1
262.58334	1.5
267.73300	1.6
291.19434	2.3
372.11368	1.7
397.30853	6.9
415.27267	2.7
415.32147	35.1
416.32281	2.1
425.30359	16.0
443.31543	53.5
444.32376	2.2
461.36511	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	461.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.7
55.01865	5.5
55.05510	35.8
57.03422	8.8
57.07064	2.2
59.27339	1.9
62.81171	1.7
65.03931	3.1
67.05500	65.1
69.03375	1.9
69.06777	2.0
69.07066	24.7
70.06650	11.1
70.95885	2.1
71.04982	4.4
77.71389	2.0
79.05054	3.6
79.05488	60.0
79.05946	3.2
81.03408	3.4
81.07053	61.5
81.42320	1.9
83.04951	6.2
83.08614	21.3
85.06523	6.5
91.05476	70.1
93.07034	51.4
95.04953	15.6
95.08602	39.3
97.06506	10.7
97.09601	1.9
97.10169	8.0
103.05431	4.9
105.07027	58.5
107.04932	9.9
107.08598	26.6
109.06506	6.9
109.10139	17.2
111.08083	6.6
115.05450	7.8
117.06219	2.6
117.07010	48.6
119.04929	3.0
119.08574	30.7
121.06501	12.3
121.10132	15.9
123.08033	6.2
123.11733	3.4
125.05934	1.9
125.09634	6.0
128.06219	14.5
129.07001	58.8
131.04857	2.1
131.08557	65.2
133.06454	9.2
133.10129	18.9
135.08032	7.3
135.11653	6.5
137.09531	3.0
139.11102	2.3
140.60577	2.2
141.06981	23.5
142.07784	3.9
143.08542	45.7
145.06479	16.3
145.10120	30.2
147.08028	6.6
147.11674	9.6
149.05957	3.2
149.09628	5.9
149.13284	3.7
151.07423	2.3
151.52943	2.2
153.06987	3.1
154.07785	3.9
155.08530	33.0
156.09253	2.1
157.06470	4.5
157.10121	25.6
159.08061	10.0
159.11688	15.7
161.09598	6.2
161.13255	4.2
163.11172	6.0
165.06958	5.7
166.07785	2.3
167.07025	15.4
167.08534	12.4
168.09416	2.1
168.31897	2.4
169.10124	24.4
171.08023	5.0
171.11662	15.1
173.09595	5.4
173.13264	5.6
175.09737	3.2
175.11156	4.4
177.12753	5.1
179.07130	2.2
179.08478	9.7
181.10092	17.3
183.11746	11.6
185.09610	2.7
185.11768	3.0
185.13293	8.7
187.11108	3.0
187.14841	5.6
189.12717	2.5
193.10118	6.7
195.08049	2.2
195.11674	12.7
197.13211	10.1
199.14853	6.6
201.12627	2.6
203.14417	3.8
205.10208	2.8
205.12177	2.9
207.11707	5.2
209.13248	9.9
211.11230	3.4
211.14806	8.6
213.12782	4.6
213.16409	4.5
215.14294	12.6
221.13271	11.9
223.14864	10.6
225.12709	4.4
225.16379	3.7
227.14281	2.8
231.11632	2.6
231.13707	3.1
231.17505	2.6
233.13211	2.7
235.14861	7.8
237.16321	2.7
239.14278	8.5
239.17783	2.8
241.15948	4.1
243.13797	3.8
243.17491	3.1
245.15598	2.6
249.16451	2.8
253.15909	6.2
257.15292	8.0
259.16855	3.6
267.17371	3.2
271.16962	6.6
275.16138	3.0
285.18405	3.4
289.18030	3.0
305.22604	4.3
315.21021	2.2
323.23779	11.2
333.22076	20.7
341.24554	13.3
351.23151	57.4
369.24274	53.7
370.24542	2.8
387.25238	29.1
415.28543	3.4
425.26852	6.4
433.29395	3.8
443.27847	100.0
444.28149	5.7
461.28903	90.1
462.29349	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	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87474	0.3
53.03860	1.3
55.01784	2.3
55.02074	0.8
55.05421	4.0
55.05710	0.8
56.04934	0.4
57.03337	1.3
57.03635	0.8
57.07001	0.6
59.04924	0.7
59.66880	0.4
61.02829	1.0
61.03124	0.4
63.63642	0.4
67.05403	3.4
67.05788	0.5
68.99714	0.4
69.03327	7.6
69.03748	1.2
69.06966	7.4
69.07388	1.0
69.31696	4.4
70.06487	1.2
71.04893	2.0
72.08053	13.1
72.08494	1.5
73.02816	1.6
73.06482	0.5
79.05382	2.9
81.03307	8.6
81.06949	6.1
81.07455	0.6
83.04870	2.7
83.08503	2.2
84.08059	0.7
85.02794	12.9
85.03349	1.2
85.06431	2.7
86.09647	0.7
87.00719	4.7
87.01294	0.5
89.10685	4.8
91.03870	0.5
91.05370	2.8
93.06932	3.9
95.04874	1.0
95.08488	7.6
97.02885	4.8
97.06417	3.0
97.10049	2.0
98.05937	1.6
98.20746	0.7
99.04445	3.6
99.08086	5.0
100.11191	0.5
103.05368	0.8
105.01743	4.2
105.07015	2.0
105.07532	0.6
107.04837	0.7
107.08588	4.6
109.02874	9.3
109.06422	0.9
109.10139	3.2
111.04329	0.5
111.07941	0.7
111.11613	1.6
113.09515	1.3
114.05473	0.4
115.08566	1.6
117.01837	0.8
117.06924	0.5
119.08578	1.8
121.06439	0.8
121.10142	4.7
123.04342	0.7
123.07996	0.7
123.11572	1.3
125.09512	1.6
127.03905	14.2
127.05299	0.5
129.01730	1.2
129.06934	0.5
131.04805	1.6
131.08444	1.1
132.05701	5.2
133.06381	0.6
133.10016	1.4
135.04301	0.6
135.11681	3.2
137.05847	0.6
137.09506	0.6
137.13260	2.8
139.11034	1.2
140.76894	0.4
141.06940	0.6
143.04831	0.8
145.04939	4.2
145.06075	0.7
145.10037	0.6
147.02814	0.8
147.04311	1.1
147.11549	0.6
149.05869	0.6
149.09520	0.8
149.13161	0.6
151.07501	1.7
151.14711	0.6
153.12741	2.7
157.06392	1.1
159.01692	0.4
159.02867	5.2
161.05980	2.0
163.03926	3.8
163.07458	0.8
165.05408	0.5
165.06824	0.5
167.07057	3.0
167.08301	0.7
169.06400	0.6
170.02026	0.8
173.05949	2.8
175.03818	0.9
175.07462	0.4
175.11090	0.5
177.05370	0.5
177.16374	11.9
181.06354	1.0
181.08403	0.3
183.07959	0.5
185.05859	1.7
187.03755	1.4
187.07434	1.7
189.03993	0.5
189.05450	3.2
189.09006	0.5
191.10507	0.7
194.08917	0.4
195.08022	0.6
195.11618	0.5
195.17448	11.1
197.05872	1.3
199.03900	3.1
199.07446	1.4
200.04756	0.5
201.05482	2.2
203.06895	0.6
209.05794	0.5
211.07436	1.4
211.86060	0.4
213.05522	4.4
213.09038	0.7
213.18480	11.3
215.06900	1.5
217.04837	1.1
217.10153	0.4
221.05775	0.4
225.05487	2.1
225.09187	0.5
227.06966	2.1
231.04906	2.1
235.14619	0.5
238.06189	1.1
239.06952	1.0
241.04893	0.6
241.08545	0.8
249.05882	0.5
249.12761	0.6
254.05661	0.4
255.06282	0.5
256.07300	0.5
267.13745	1.3
269.04483	2.8
281.09140	0.9
283.05994	6.8
283.12991	0.7
284.06766	21.7
285.07086	1.4
285.14658	0.6
291.13779	0.8
293.11481	0.5
299.09116	100.0
300.09491	5.0
309.14789	1.2
311.12827	3.3
313.14355	0.4
327.15970	1.2
329.13690	0.8
337.14368	3.1
355.15268	5.3
373.16714	0.9
424.78888	0.4
425.24585	0.9
426.22641	1.9
443.25400	5.1
444.23999	2.1
461.26556	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1439
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03921	0.3
55.01846	0.6
55.05261	0.2
55.05503	2.6
57.03408	0.7
57.07059	0.5
59.04964	0.4
61.02887	0.2
65.03932	0.2
67.05167	0.3
67.05496	3.7
69.03083	0.2
69.03421	2.3
69.07059	2.6
70.06561	0.4
71.04964	0.7
71.08582	0.2
71.61706	0.2
72.08147	2.1
79.05477	2.9
81.03407	2.0
81.07053	6.8
82.06601	0.2
83.04977	2.0
83.08618	1.0
84.08154	0.2
85.02895	2.9
85.06535	2.3
86.09698	0.3
87.04413	0.2
89.10771	0.4
91.05472	2.5
93.06466	0.3
93.07031	4.4
95.04973	1.4
95.08595	5.9
97.02895	1.5
97.05920	0.2
97.06519	4.2
97.10129	0.8
98.05998	0.5
99.04435	0.3
99.08055	0.4
101.06004	1.6
103.05434	0.3
105.07015	3.1
107.04975	0.4
107.08579	3.0
109.02835	0.9
109.06541	1.0
109.10153	3.1
111.04445	1.6
111.08028	0.7
113.05975	0.3
115.05421	0.4
115.07510	0.2
115.08665	0.6
117.06995	0.4
119.04926	0.4
119.08585	1.4
121.06468	0.8
121.10134	2.9
123.00762	0.3
123.04424	1.6
123.07196	0.2
123.08071	3.1
123.11674	2.4
124.03946	0.2
125.05953	0.6
125.09590	0.8
127.03891	1.6
127.11179	0.3
129.05476	1.3
129.06960	0.5
131.04890	0.4
131.08559	1.2
133.06444	0.5
133.10089	1.6
134.07254	0.2
135.04399	0.4
135.07999	0.9
135.11707	1.3
137.02332	0.6
137.05942	1.1
137.09592	1.0
137.13214	0.6
139.07501	0.8
139.11151	0.4
143.08521	0.5
145.04919	0.2
145.06523	0.4
145.10112	0.8
147.04382	0.9
147.06471	0.5
147.08023	0.4
147.11641	1.2
149.05991	0.9
149.09581	1.1
149.13237	0.9
151.03877	0.8
151.07527	24.2
152.01007	0.5
153.05489	0.4
157.06432	0.4
157.10112	0.4
159.02905	0.3
159.04358	0.7
159.08052	0.5
159.11649	0.7
161.02295	0.5
161.05975	1.7
161.09581	0.5
161.13245	0.4
163.03883	2.2
163.07567	1.2
163.11147	0.6
165.05473	0.5
165.09096	3.1
165.12738	0.4
166.09482	0.4
167.07037	7.7
168.05554	0.3
169.01285	0.4
170.02078	0.9
171.08029	0.5
171.11627	0.4
173.02310	0.7
173.05989	0.6
173.09572	0.4
174.06708	0.3
175.03825	0.2
175.07513	1.0
175.11177	0.6
175.14740	0.5
176.08417	0.3
177.05392	0.3
177.09071	1.9
177.12662	0.3
177.16388	0.5
179.10527	0.3
181.04909	0.2
181.08585	0.3
183.08012	0.5
185.05937	0.6
185.09526	0.3
187.03879	1.0
187.07556	0.4
187.11119	0.5
189.05519	0.5
189.09117	1.6
189.12746	0.4
191.06963	0.5
191.10641	3.4
193.08603	0.4
193.12256	0.5
195.02898	0.3
195.11894	0.2
195.13765	0.5
195.17400	0.8
196.05232	0.3
197.06076	0.4
197.09615	0.3
199.03851	0.6
199.07483	0.5
199.11121	0.3
201.05392	0.2
203.10666	0.5
205.12225	1.9
207.10085	0.4
210.06810	0.3
211.07542	0.9
211.13206	0.2
213.03763	0.2
213.05505	1.5
213.09070	0.6
213.14822	3.1
215.07002	0.4
215.10577	0.3
217.08414	0.3
217.12308	0.4
219.17241	0.2
221.15390	0.2
223.16971	0.4
225.05374	0.3
227.06981	0.9
228.07840	0.5
231.13741	0.6
238.06224	0.2
239.07002	2.1
240.07742	0.2
241.04915	1.0
241.08530	0.5
241.12233	0.4
243.10147	1.0
252.04204	0.4
253.04932	0.7
255.06589	0.6
255.13625	0.3
256.07220	2.1
259.09598	0.2
263.20258	0.3
267.06458	0.7
267.13782	0.8
269.04440	0.6
281.21121	0.6
283.05884	0.4
283.13354	0.4
284.06766	40.3
285.07120	1.2
285.15063	0.3
287.12613	0.4
293.11780	0.3
299.09116	100.0
299.22058	2.0
300.09454	3.7
303.15753	0.3
311.12689	0.8
311.16223	0.3
311.25595	0.4
313.14462	0.3
329.13791	0.2
331.15448	0.6
337.14148	0.6
355.15375	3.1
372.18369	0.2
373.16370	0.8
407.29312	0.3
408.21869	0.4
413.30417	0.3
425.24835	0.6
425.30548	0.9
443.25424	3.3
443.31464	1.2
444.23846	0.6
461.18729	0.7
461.26431	9.9
461.32584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1441
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.66746	0.1
54.20930	0.1
55.01846	0.3
55.05509	0.7
57.03403	0.2
67.05503	0.9
69.03390	0.4
69.07056	0.7
69.95435	0.8
70.06565	0.3
71.04955	0.2
71.47656	0.1
72.08149	5.7
79.05484	0.7
79.05836	0.1
79.54851	0.1
81.03375	0.5
81.06657	0.1
81.07051	1.0
82.33244	0.1
83.04922	0.2
83.08595	0.2
84.08128	0.1
85.02888	0.7
85.06513	0.3
87.00809	0.2
89.10786	1.8
91.05475	0.7
93.07052	0.9
95.04929	0.2
95.08598	0.9
97.02853	0.4
97.06493	0.5
97.10129	0.1
98.06010	0.4
99.04454	0.1
99.08061	0.2
103.05439	0.4
105.01876	0.1
105.06992	0.5
107.04904	0.3
107.08569	0.7
109.02824	0.4
109.10114	0.4
113.09653	0.1
115.05426	0.2
115.08640	0.5
117.03335	0.1
119.08523	0.4
121.06490	0.9
121.10091	0.4
124.01577	0.2
125.09602	0.2
127.03918	0.8
129.06955	0.3
131.04889	0.8
131.08502	0.3
132.04730	0.3
132.05692	4.5
133.06464	0.4
133.10063	0.3
135.04361	0.2
137.05966	0.2
137.09566	0.1
143.04877	0.2
145.04951	0.3
145.06432	0.2
147.04372	0.3
147.11621	0.1
149.05933	0.2
151.07541	0.8
152.01004	0.3
153.05450	0.1
153.06822	0.2
153.12650	0.2
157.06441	0.3
157.10133	0.2
161.05963	0.7
163.03876	1.4
163.07555	0.2
165.09027	0.2
167.07050	0.4
167.08446	0.1
169.06465	0.2
170.02071	0.8
171.04428	0.2
171.08060	0.2
173.02367	0.1
173.05989	1.2
175.03886	0.3
177.16383	0.3
181.06448	0.4
183.08009	0.2
185.05994	0.7
187.03833	0.3
187.07448	0.4
189.05435	1.6
193.08476	0.2
195.17409	0.3
197.05923	0.7
199.03833	0.7
199.07497	0.4
200.04590	0.3
201.05446	0.7
201.09061	0.2
210.06705	0.2
211.07510	0.5
213.05447	1.7
213.08882	0.2
213.18469	0.4
215.06966	0.5
217.04994	0.2
221.09456	0.2
225.05412	0.6
226.06178	0.2
227.07036	1.1
238.06229	0.8
239.06999	0.4
241.04910	0.5
243.10034	0.2
253.05022	0.3
253.08458	0.2
255.06427	0.6
256.07257	0.9
263.14069	0.2
267.13782	0.4
269.04434	3.2
283.05997	5.8
284.06760	22.1
285.07101	0.6
295.12979	0.2
299.09103	100.0
300.09464	2.8
309.14874	0.6
311.12836	0.8
313.14481	0.2
327.15839	0.4
337.14343	1.1
355.15341	2.2
363.94897	0.2
373.16504	0.4
425.24722	0.4
426.22531	0.7
443.25287	1.8
444.23721	0.8
461.26434	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.9
55.01864	3.9
55.05508	3.3
57.03432	11.3
58.08629	1.0
61.02906	1.2
65.03929	1.6
67.05505	3.1
68.99788	2.3
69.03424	22.1
69.07071	2.1
69.30893	11.2
70.06580	1.5
71.04985	37.9
72.08141	2.6
73.02905	1.7
75.04459	3.2
79.05488	4.1
81.03410	6.4
81.04559	0.9
81.07059	3.8
83.01308	2.2
83.04962	4.7
85.02896	69.3
85.06544	2.2
85.64386	0.9
87.04453	1.9
91.05479	5.1
93.03384	6.5
93.07034	3.2
95.04967	6.9
95.08624	3.5
97.02888	3.8
97.06546	2.7
99.04448	3.4
103.05432	1.3
105.03353	2.4
105.07019	2.4
107.01297	1.4
107.04932	7.2
107.08595	2.9
109.02883	7.9
109.06501	2.3
109.10149	3.2
111.00800	3.1
111.04427	7.7
113.06002	0.9
117.07021	2.2
119.04921	4.5
119.08588	2.1
121.02863	5.2
121.06499	2.2
121.10153	2.9
123.04422	4.5
123.08087	1.1
125.02345	3.4
125.05981	1.6
127.03908	4.1
129.05476	11.3
129.06953	2.0
131.04865	2.0
133.02831	1.1
133.06482	1.1
133.10103	1.7
135.04404	11.1
135.08096	2.2
137.05956	2.0
139.03902	2.1
139.07611	1.2
141.05466	0.9
145.06474	5.1
145.10092	1.2
147.04396	11.3
147.06540	2.0
147.08000	1.2
147.11748	1.4
149.02356	3.2
149.05946	1.6
149.13246	1.1
151.03848	1.4
151.07520	4.7
153.01819	14.4
153.05490	1.6
157.06496	3.1
159.04440	2.0
161.05861	1.0
163.03880	4.8
163.07439	1.2
165.01810	6.4
167.03366	1.8
167.07036	3.1
171.02884	2.6
171.04367	1.2
173.02373	2.9
173.05994	4.1
174.97627	0.8
175.00298	3.2
175.03941	2.0
177.01825	11.3
177.05475	3.0
177.09052	1.1
179.03397	4.0
183.02904	4.9
185.05986	2.0
187.03911	2.6
189.01802	5.6
189.05550	1.1
191.03380	18.4
191.06923	1.9
191.10638	1.0
193.01323	1.8
195.02875	100.0
196.03233	1.0
197.04610	1.0
199.03876	1.0
201.05443	5.4
203.03397	3.5
203.10808	1.3
205.01268	1.4
205.04951	2.3
207.02872	11.0
209.04384	2.2
213.03783	1.9
213.05495	2.8
215.03427	2.7
215.06995	1.0
217.01236	1.1
217.04999	2.3
219.02866	52.5
220.03328	1.5
221.04654	2.3
223.02325	4.1
225.03784	6.8
231.02885	2.2
231.06543	2.3
233.04393	6.1
237.03920	42.2
238.04204	1.5
241.04971	2.2
243.02872	1.5
245.04500	7.3
249.03922	3.8
259.05994	4.1
261.03925	34.2
262.04291	2.1
263.04617	1.5
269.04401	6.3
277.07028	1.2
285.07523	3.1
287.05487	34.6
297.07568	11.6
299.05511	2.1
299.08878	1.7
305.06525	34.7
309.07520	2.7
313.07034	2.0
315.08612	29.3
316.08868	1.3
321.07651	2.8
323.07614	20.1
325.07001	2.2
327.08551	2.7
339.08591	26.3
341.08591	3.3
351.08484	1.0
357.09586	2.5
365.10135	1.1
369.09781	0.9
381.09674	5.7
385.08542	0.9
407.11212	19.7
425.12213	7.5
443.13126	8.4
443.25534	3.0
461.14160	6.1
461.26401	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	460.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97911	0.4
55.01860	0.6
55.05512	7.8
56.05013	0.5
57.03450	0.6
57.05812	1.1
61.02914	0.4
69.03422	2.2
70.06589	1.5
71.62616	0.5
72.08149	100.0
73.08479	0.8
81.03436	0.4
83.40527	0.4
84.04491	0.9
84.08150	1.8
85.02898	5.3
93.56645	0.4
97.02876	2.1
99.04466	0.5
109.02879	0.6
116.07105	0.7
116.98663	0.5
118.08646	81.0
119.08993	1.3
126.28986	0.4
127.03925	3.5
129.10704	0.4
130.08612	1.3
145.04967	2.5
148.05998	1.0
163.06029	0.6
186.04640	0.5
264.57574	0.4
281.07153	0.5
413.07132	0.4
461.10007	0.4
461.24377	0.7
476.51859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.05493	17.9
57.07069	10.2
67.05497	35.4
68.00033	4.1
69.07056	26.9
71.62209	4.7
79.05480	20.9
81.03401	5.6
81.07053	81.8
82.04798	4.0
83.08604	13.2
91.05470	23.9
93.07031	46.3
95.04950	7.5
95.08598	100.0
97.10144	11.1
105.07016	51.5
107.08585	67.2
109.06503	7.6
109.10146	61.1
111.08086	8.8
119.08556	52.1
121.06423	4.8
121.10125	63.6
123.08069	8.5
123.11674	24.7
125.09605	4.6
131.08557	13.5
133.10114	41.3
135.08014	6.7
135.11668	42.6
137.13258	10.1
143.08542	8.9
145.10153	31.2
147.11673	28.2
149.09564	6.5
149.13295	28.4
151.07545	4.7
157.10051	6.9
159.08020	5.9
159.10605	3.8
159.11697	26.1
161.09593	7.7
161.13228	37.2
163.14825	27.9
164.97261	3.9
165.09114	4.5
165.12688	5.3
167.06978	9.1
173.13255	15.3
175.07686	3.8
175.14803	28.6
177.12717	4.0
177.16310	12.7
179.14290	9.4
187.14795	20.6
189.16306	28.4
191.10730	5.2
191.17909	73.7
193.15895	12.7
197.13240	4.2
201.16417	12.5
203.17940	29.7
205.19475	9.5
207.17447	15.1
215.17941	13.6
217.19537	9.1
219.17441	9.2
221.18941	24.4
231.21037	8.9
233.18942	12.1
235.16905	5.0
237.59830	5.2
249.18549	5.5
251.20038	6.4
281.19379	4.3
332.29138	5.4
411.36227	39.1
429.37186	11.4
441.37143	25.7
459.37506	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	460.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03939	6.0
55.01659	0.6
55.01868	7.1
55.05491	1.6
57.03437	4.1
60.04514	0.7
60.71909	0.6
61.02918	4.8
67.05482	2.4
68.99763	2.7
69.03423	26.0
69.07046	1.8
69.84170	2.4
69.84610	2.2
70.06568	2.9
71.04996	5.1
72.08140	2.0
73.02910	5.9
79.05472	2.7
81.03410	27.4
81.07066	4.0
83.04954	1.1
84.04490	0.9
84.08131	0.9
85.02897	67.6
86.09670	1.1
87.00822	25.7
91.03944	2.2
91.05451	2.8
93.07021	2.9
95.04974	1.3
95.08582	3.0
97.02883	27.6
97.06550	1.1
98.06025	1.1
99.04441	13.1
103.03902	0.9
103.05478	5.1
105.01853	25.0
105.07016	4.0
107.04922	6.2
107.08591	1.9
108.04469	7.8
109.02866	27.4
109.06479	1.0
109.10149	2.3
115.03904	1.2
115.05383	0.9
117.01851	4.6
117.06987	0.8
119.04897	0.7
119.08584	2.0
120.05757	0.9
121.06537	1.1
121.10176	2.1
123.11647	0.7
126.05514	4.7
127.03905	53.7
128.04262	1.0
129.01807	3.2
131.04900	2.2
133.10081	0.8
134.10509	0.9
135.08047	5.3
135.11719	0.8
137.05943	0.8
137.09601	1.0
139.03885	2.4
144.06470	0.7
145.04950	25.6
147.02869	2.3
147.04379	2.2
147.11690	1.2
151.07498	2.2
152.07973	0.9
154.06241	27.4
157.06454	0.8
159.01544	0.9
159.02867	16.9
159.07944	0.7
163.03850	1.2
163.07523	22.0
165.09091	2.9
166.09436	1.0
167.07040	6.5
168.07416	1.6
171.02875	0.9
173.02249	0.8
177.03940	0.8
177.05385	1.0
180.07816	1.2
189.03902	1.4
193.08472	0.8
195.10152	100.0
196.10461	1.2
207.10231	0.9
211.16888	1.0
212.05432	1.0
213.03888	2.1
213.07114	0.8
219.10146	1.3
230.06566	2.9
231.04984	11.9
248.07629	8.2
249.06096	2.0
266.08636	2.1
285.11282	0.7
299.05304	1.1
303.12415	1.5
355.15555	1.1
357.21548	0.7
424.29581	0.8
460.25543	0.9
460.31473	2.4
461.26285	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	459.3832
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
55.05504	6.8
57.07070	3.2
66.59059	2.1
67.05499	13.7
69.07058	11.0
69.51588	18.2
79.05479	6.6
81.07054	31.9
83.08623	6.7
91.05479	8.4
93.07040	19.5
95.04972	4.4
95.08604	44.0
97.10172	3.6
105.07009	14.9
107.08582	31.5
109.06508	7.2
109.10149	26.8
111.08069	3.6
117.07034	3.7
118.11628	1.8
119.08564	29.7
121.10144	26.3
123.08088	7.3
123.11707	9.4
127.75309	1.8
131.08577	6.1
133.10127	25.2
135.11691	29.6
137.09641	2.9
137.13246	3.0
143.08553	2.4
145.10109	11.6
147.11664	15.4
149.09590	3.6
149.13257	7.6
151.11157	3.2
153.08800	2.0
157.10136	3.5
159.11679	12.3
161.13272	16.9
163.14845	11.5
165.12753	2.0
171.11772	2.5
173.13234	10.2
174.76138	1.9
175.14754	5.1
177.16341	5.6
179.07019	2.7
185.13287	2.8
187.14838	6.3
189.16412	24.3
191.17905	6.1
199.14973	2.2
201.16344	17.8
203.17880	4.8
205.15913	2.1
207.17438	30.2
215.17921	5.5
217.19429	3.7
219.17421	93.2
269.22681	2.2
363.92410	2.6
388.54550	2.4
413.37277	2.6
423.36362	5.9
441.37384	100.0
442.37589	2.0
459.30374	12.4
459.38785	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.383
Annotation	Soyasapogenol B
Peak:m/z	Relative Intensity
53.03941	0.8
55.05508	9.7
57.07061	1.9
57.75320	0.5
63.28498	0.5
66.14048	0.6
67.05496	6.4
69.07064	10.2
69.62420	4.4
79.05491	3.8
81.07054	17.0
81.43642	0.5
83.08615	10.1
91.05473	3.7
93.07043	11.9
95.04937	1.4
95.08604	24.1
96.94993	0.5
97.06521	1.6
97.10155	2.5
99.08086	2.0
105.07030	6.8
107.08590	22.2
109.06528	4.1
109.10155	17.2
111.08096	3.6
111.11727	4.1
113.09627	1.2
117.06996	1.1
119.08578	11.9
120.90923	0.6
121.06484	0.7
121.10137	17.4
123.08063	4.4
123.11699	7.7
125.09628	2.0
131.08568	2.7
133.10115	10.4
135.08063	2.1
135.11690	19.8
137.09610	2.9
137.13239	2.0
143.08524	0.7
145.10115	6.5
147.10602	1.0
147.11670	9.2
149.09587	1.8
149.13274	6.9
151.11206	1.9
151.14758	0.6
157.10095	1.6
159.11696	7.0
161.09567	0.6
161.13275	5.5
163.11189	1.9
163.14806	5.3
164.40382	0.5
165.09090	0.7
165.12723	0.9
167.14372	1.3
171.11732	1.8
173.13258	3.9
175.11179	0.8
175.14783	2.8
175.46471	0.5
177.12793	0.6
177.16310	3.2
179.14293	0.6
185.13214	1.2
187.14900	3.8
189.16367	15.6
191.17931	6.2
193.15865	0.9
195.17415	1.8
199.14833	1.4
201.16383	11.7
203.17949	4.5
205.19502	0.8
207.17442	16.0
213.16359	1.7
215.14272	0.5
215.17950	4.0
217.19551	0.9
219.17421	30.7
221.19020	1.4
221.90913	0.6
225.16379	0.8
227.17944	1.9
229.19476	1.7
233.18936	3.4
243.20985	0.7
251.20041	10.6
269.22614	0.9
275.23703	0.9
281.22653	0.7
283.24115	1.2
287.23660	0.7
289.25098	1.3
295.23822	0.6
301.25174	2.1
327.26730	0.8
405.35236	1.3
423.36267	16.1
426.69821	0.6
441.37274	100.0
442.37814	3.5
459.38394	50.6
459.43024	0.7
460.38593	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3828
Annotation	Protoprimulagenin A
Peak:m/z	Relative Intensity
55.05505	2.5
55.94920	0.5
57.07069	1.2
67.05496	4.4
69.07069	6.2
69.24702	0.6
69.50375	5.4
70.88808	0.5
79.05499	2.8
81.07048	12.1
82.09996	0.7
83.08622	2.5
85.42321	0.5
86.25864	0.5
91.05470	2.5
93.07035	8.8
95.04938	0.9
95.08598	18.7
97.06518	0.9
97.10163	1.6
101.06049	0.6
105.07028	5.9
107.08579	13.7
109.06507	5.3
109.10143	12.5
111.08107	1.2
111.11727	2.8
119.08574	11.2
121.10129	11.3
123.08064	5.1
123.11658	4.0
125.09596	1.2
131.08560	2.2
133.10118	10.6
135.08090	0.8
135.11667	16.8
137.09621	1.9
137.13210	1.3
143.08559	0.9
145.10115	5.1
147.11662	7.7
149.09526	0.6
149.13258	3.3
151.07532	0.7
151.11192	1.4
157.10109	0.9
159.11662	4.4
161.13245	3.3
163.11237	0.7
163.14815	3.4
169.10136	0.6
171.11690	0.8
173.05217	0.6
173.13292	2.8
175.14832	2.3
177.05203	1.0
177.16333	1.1
179.14285	0.7
185.13205	0.7
187.14825	1.7
189.16360	18.4
191.17949	3.8
201.16380	9.1
203.17937	1.7
205.15837	0.7
207.17419	21.9
207.19394	1.1
213.16341	0.8
215.17950	2.7
219.17426	35.8
229.19508	1.1
233.18951	0.8
269.22617	0.9
289.25177	0.7
295.23999	0.7
296.75745	0.7
301.25241	2.2
307.62830	0.7
345.27997	0.8
405.35181	1.0
423.36160	5.8
441.37253	100.0
442.37482	3.2
459.39056	26.8
460.38892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3829
Annotation	SCHEMBL12422241
Peak:m/z	Relative Intensity
52.48418	1.5
53.03919	1.8
55.05495	7.3
57.07059	4.3
58.10615	1.5
67.05503	13.9
69.06754	1.9
69.07065	17.0
69.77069	11.1
77.03868	1.7
79.05484	9.6
81.03378	1.6
81.07053	31.0
83.04980	3.0
83.08636	8.4
85.06525	3.6
88.48285	1.6
91.05476	11.1
93.07034	26.2
95.04961	3.4
95.08597	50.4
97.06536	2.6
97.10149	4.8
105.07018	19.1
107.08589	41.2
109.06489	5.4
109.09459	2.6
109.10152	31.4
111.08045	2.9
111.11704	3.4
117.07037	2.9
119.08569	36.3
121.06480	1.7
121.10137	29.7
123.08062	8.7
123.11702	13.5
125.09565	2.3
129.06961	2.1
131.08546	8.2
133.10115	28.7
135.11681	37.5
137.09596	2.5
137.13266	2.8
139.11189	2.2
139.46986	1.4
143.08553	4.7
145.10107	19.6
147.11667	20.4
149.13231	16.0
151.07487	2.5
151.11151	4.0
157.10098	4.4
159.11664	18.5
161.13283	16.3
163.11140	2.6
163.14796	13.4
165.12685	3.8
166.66084	1.8
171.11688	3.4
173.13226	12.1
175.14772	9.2
176.62788	1.6
177.12791	1.6
177.16371	7.9
179.14357	3.0
185.13222	5.0
187.14761	11.7
189.16368	37.0
191.17931	14.9
199.14786	3.4
201.16393	28.6
203.17953	9.2
205.15912	2.0
207.17426	43.7
213.16394	2.2
215.17894	14.0
217.19476	5.4
219.17426	100.0
221.15401	2.1
221.18875	2.7
227.17958	3.0
229.19490	6.3
233.18976	6.2
243.21089	5.8
269.22763	7.8
273.22049	2.7
287.23477	1.9
347.59348	1.9
381.22488	2.1
405.35104	6.5
423.36536	21.9
423.55206	1.9
441.37476	89.5
442.37634	3.5
459.33511	22.8
459.38251	70.0
460.34415	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	459.3831
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
50.60016	1.6
53.01594	1.3
55.05510	9.0
57.07069	3.0
60.76891	1.7
67.05503	15.2
68.29674	1.4
69.07072	14.3
69.34934	16.5
75.02354	1.5
79.05501	10.6
81.07047	37.5
83.04964	1.8
83.08620	8.5
85.02879	1.8
85.06534	2.4
91.05483	8.5
93.07045	25.1
95.04950	5.5
95.08601	54.8
97.06520	4.1
97.10153	6.0
98.20709	3.0
105.07023	19.3
107.08582	39.5
109.06512	3.4
109.09451	2.5
109.10156	35.9
111.08066	3.2
111.11712	2.6
114.01183	1.7
117.07010	4.3
119.07790	2.3
119.08585	34.8
121.06525	1.9
121.10133	28.3
123.08064	4.2
123.11702	18.3
123.49860	1.5
125.09676	2.7
127.38042	1.8
129.07048	2.4
131.08575	10.4
133.10124	30.9
135.08022	3.8
135.10681	3.0
135.11684	37.5
137.09616	4.3
137.13248	8.0
139.07542	2.6
143.08549	1.9
145.10121	19.6
147.08006	1.8
147.11670	22.8
149.09532	2.7
149.13249	10.5
151.07524	3.4
151.11214	3.8
157.10172	3.8
159.08040	2.1
159.11714	17.1
161.09584	2.5
161.13246	16.9
163.11189	2.4
163.14838	15.4
165.12724	4.0
167.07030	6.0
168.05296	1.5
171.11668	3.8
173.13246	11.9
175.14792	13.5
177.12730	2.1
177.16383	10.9
179.14296	2.0
185.13187	4.8
187.14844	8.0
189.16367	38.7
191.17949	10.4
191.24817	1.9
199.14766	1.7
201.16385	22.0
203.17986	10.3
205.15903	2.0
205.19557	2.2
207.17422	40.3
213.16327	3.9
215.17986	12.3
217.15883	3.5
217.19514	3.8
219.17427	76.2
227.17863	3.6
229.19594	5.9
233.15460	2.6
233.19011	6.2
235.16898	2.0
241.19591	1.8
243.21130	3.2
255.21025	2.2
261.22104	2.6
266.59415	2.1
269.22598	4.0
273.22122	2.3
283.24185	3.8
337.07068	4.9
405.35019	3.4
411.36185	3.9
413.34052	4.3
423.36768	16.5
441.37543	100.0
459.17712	2.2
459.33078	39.0
459.38632	34.6
460.34579	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	459.383
Annotation	Soyasapogenol B
Peak:m/z	Relative Intensity
55.05503	8.4
57.07057	4.0
65.03922	1.2
67.05503	12.4
69.07066	15.0
69.25042	1.2
69.58718	3.0
69.59119	9.0
77.31061	1.2
79.05475	10.2
81.07056	32.1
82.15766	1.2
83.08604	6.5
85.51301	1.3
89.06049	2.2
91.05484	8.8
93.07034	21.5
93.82700	1.2
95.04962	4.7
95.08598	43.2
97.06525	1.7
97.10167	3.6
105.07031	19.7
106.07264	1.2
107.08587	38.6
109.06520	3.8
109.10153	32.6
109.10898	1.7
111.08021	2.8
111.11720	2.5
117.06976	2.8
119.08570	31.6
121.06469	1.3
121.10132	24.8
123.08054	5.8
123.11700	12.1
125.09605	1.7
129.07024	2.3
131.08548	8.7
133.10132	29.0
133.11081	2.6
135.08040	3.1
135.11685	35.6
135.12700	2.4
137.09589	2.4
137.13203	3.1
143.08548	3.5
145.10106	19.3
147.11670	19.8
149.09641	1.7
149.13234	11.9
151.11172	3.2
157.10124	2.8
159.11674	15.5
161.13246	14.5
163.11143	1.6
163.14822	15.3
165.12794	2.9
171.11662	3.4
173.13254	8.2
175.14816	9.9
177.12778	2.1
177.16388	9.2
179.14331	2.5
185.13263	2.5
187.11118	2.7
187.14746	6.5
189.16377	32.5
191.10675	7.3
191.17941	12.4
197.13327	1.5
199.14853	3.0
201.16373	25.5
203.17950	12.3
205.15779	1.9
205.19424	2.2
207.17436	45.7
207.19385	2.7
213.16406	3.2
215.17949	14.2
217.19466	4.0
219.17433	78.9
220.17744	2.1
221.18945	1.5
227.17897	3.3
229.12387	1.3
229.19466	4.9
233.18977	7.8
239.18063	1.6
243.21095	3.5
247.20534	1.7
255.21156	3.7
257.22702	1.8
261.22113	2.4
269.22665	5.3
283.24347	2.5
287.23666	2.5
289.25336	2.1
340.27472	2.8
341.28458	1.5
405.35153	3.1
411.35886	2.4
423.36621	18.2
441.37448	100.0
442.37631	4.5
459.38724	53.3
460.39270	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.03409	0.7
60.04510	2.1
61.02912	0.9
67.01245	0.5
67.05480	1.0
69.03424	2.7
69.96181	1.2
69.96585	1.8
70.06587	15.2
71.05007	0.6
71.06914	0.9
72.04524	3.7
72.08154	10.4
73.02923	0.9
73.06545	2.2
76.13308	0.7
79.05492	2.2
81.03407	2.8
82.06579	0.6
83.04990	1.3
83.06042	0.6
84.08159	4.7
85.02888	3.6
85.06515	0.7
86.06055	1.9
86.09695	3.0
87.00827	0.8
87.04469	7.8
89.06026	100.0
89.10793	1.3
90.06362	1.4
91.05466	2.5
93.07053	0.8
94.06577	0.8
95.04949	1.3
95.08601	1.3
96.08140	1.8
97.02893	2.0
97.06500	0.8
98.06056	1.6
98.20783	0.8
99.04447	1.3
105.07043	0.6
107.04925	1.3
107.07060	4.7
107.08598	1.9
109.02899	1.5
109.06521	0.8
111.04443	0.6
112.07581	0.8
114.05525	1.5
114.09190	0.6
114.10263	0.7
115.08668	1.7
118.06526	1.6
119.04952	2.9
120.08092	0.7
121.02853	1.9
122.06099	0.7
123.04417	1.0
125.06042	0.6
125.09599	0.7
127.03903	4.7
128.07098	0.9
129.10233	0.9
130.08643	2.7
131.04935	1.0
131.07065	2.4
132.05688	1.1
133.08595	58.8
134.05997	0.6
135.04456	0.9
136.07579	1.5
137.05989	1.5
141.01016	1.9
143.00752	1.8
146.05992	4.1
147.04407	6.9
152.07098	1.2
157.09727	2.8
159.04430	0.7
160.05177	0.8
161.03589	0.7
161.05975	1.3
163.03824	0.8
166.08553	0.6
167.07027	3.3
170.05669	0.8
175.09746	1.0
177.05472	1.4
177.11212	16.1
179.07062	1.9
181.04965	0.7
182.11809	0.9
190.07791	0.8
191.07045	1.6
192.07803	3.7
193.08591	2.0
196.09659	0.6
197.06000	0.7
207.06458	0.6
209.12779	0.9
211.09674	1.1
217.13361	1.1
218.11850	0.6
221.13853	1.6
232.45877	0.6
233.16608	0.6
239.14967	1.0
245.12938	1.2
276.12296	3.2
279.17163	3.2
283.17456	1.1
297.08130	0.8
297.18143	1.9
298.07706	1.0
309.07050	1.2
325.07117	1.5
326.07458	1.8
327.07642	4.1
337.06989	0.8
339.08157	0.7
344.14160	0.6
353.09805	2.4
367.10873	0.6
371.11252	2.3
371.22812	0.8
381.08655	3.5
405.08868	0.8
407.23138	0.9
411.09720	1.6
415.25443	0.8
415.70697	2.2
416.20804	0.9
418.18591	2.2
423.10355	0.9
441.10773	1.3
450.76248	0.6
459.11807	3.5
459.21707	3.3
459.28015	1.0
460.12579	0.8
460.19745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34536	2.3
51.18556	2.0
53.03927	3.1
55.01857	7.6
55.05506	56.0
56.10668	2.0
57.03410	6.3
57.07069	2.6
65.03925	3.1
67.05498	44.7
69.03406	7.2
69.07067	20.5
70.06577	2.6
71.62945	2.0
71.63313	2.3
72.08147	3.4
79.05487	48.0
81.03396	3.1
81.07052	41.3
83.04961	5.3
83.08603	26.1
85.02882	4.8
85.06521	4.6
86.41161	2.3
91.05473	38.8
93.06552	2.6
93.07048	31.1
95.04941	6.4
95.08595	25.9
97.06534	3.3
97.09612	3.8
97.10165	43.0
99.08066	3.5
103.05460	23.0
105.03364	3.7
105.07027	39.8
107.04925	6.4
107.08589	32.0
109.06507	5.7
109.10130	16.4
111.08058	3.3
113.60218	2.2
113.93481	2.2
115.05446	10.1
117.07000	53.3
119.08577	22.7
121.06462	2.7
121.10117	9.8
123.08067	5.5
123.11690	3.5
125.09620	37.5
128.06172	6.5
129.06996	28.8
131.04929	3.8
131.08549	43.7
133.06496	11.0
133.10115	12.4
135.08057	8.8
135.11650	6.8
137.09587	4.9
137.13220	4.1
141.06961	13.2
142.07791	2.7
143.08556	14.6
145.06488	13.1
145.10135	15.3
147.04347	3.3
147.08026	2.6
147.11691	5.1
149.09572	6.6
153.07001	3.0
153.09074	3.5
155.08481	10.9
156.09334	3.5
157.06436	5.4
157.10109	11.1
159.08063	7.0
159.11726	11.5
161.13252	3.9
165.09074	4.9
166.76614	2.5
167.07059	6.1
167.08586	8.8
169.10074	10.8
171.08055	6.9
171.10295	3.4
171.11679	9.3
173.09610	3.1
173.11862	2.8
173.13254	8.1
175.14807	2.9
178.42439	2.5
181.10083	5.0
183.07979	2.8
183.11588	2.3
185.09532	2.6
185.13234	5.8
187.11140	3.7
187.14853	17.4
189.11212	25.5
189.16383	5.8
195.11653	6.9
197.13280	19.1
205.79581	2.4
207.11790	2.4
207.17519	3.1
209.13255	3.6
213.12666	4.3
213.65942	2.4
215.14288	90.4
223.11131	3.5
223.14835	2.7
226.22310	2.3
227.12724	34.8
233.13130	2.4
241.12184	5.0
271.16919	7.7
339.23074	7.5
347.04468	3.3
349.21631	11.6
355.23087	2.8
360.59158	2.7
367.22702	34.3
385.23752	23.7
403.24796	9.7
441.26199	68.0
441.32611	4.0
459.27313	100.0
459.33838	6.3
460.27606	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	459.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01862	5.7
55.05507	41.0
57.03417	4.4
57.07060	1.5
57.67091	1.0
65.03912	2.2
67.05495	39.6
69.03400	5.2
69.07055	12.2
69.84496	7.5
71.04981	2.0
79.05484	35.7
81.03381	4.1
81.06579	1.8
81.07049	35.4
83.04957	5.3
83.08608	20.7
85.02867	2.2
85.06541	2.7
91.05470	30.9
91.72959	1.0
93.03368	1.3
93.06535	1.5
93.07038	16.4
95.04964	8.1
95.08595	16.9
97.02897	1.0
97.06507	3.2
97.09531	1.9
97.10162	38.2
103.05457	15.3
105.03400	2.4
105.06380	1.8
105.07022	27.2
107.04939	5.5
107.08587	20.5
109.06474	4.2
109.10136	11.3
111.08065	2.6
115.05421	8.4
116.06243	2.6
117.06207	2.2
117.07006	42.3
119.04968	1.4
119.08564	17.0
121.06480	3.8
121.10129	7.9
123.04446	1.6
123.08044	2.5
123.11658	2.1
125.09621	27.7
128.06183	4.7
129.06981	22.9
131.04901	4.8
131.08549	29.3
133.06479	8.1
133.10120	10.0
135.08014	6.5
135.11673	3.5
137.09589	3.3
137.13216	1.5
141.06993	11.4
142.07745	2.6
143.04918	1.4
143.08540	12.3
143.10506	1.3
145.06467	14.2
145.10114	12.5
147.08023	3.0
147.11668	4.7
149.05937	1.4
149.09584	5.5
151.07504	4.3
151.11142	1.1
153.07013	1.8
153.09056	3.9
155.08542	14.2
157.06451	5.1
157.10094	6.7
159.08041	5.2
159.11679	6.2
161.09647	2.8
161.13318	2.2
163.11127	2.3
165.09088	6.4
165.12775	1.2
167.07010	10.5
167.08540	5.5
169.10133	10.5
171.08055	5.7
171.10286	2.1
171.11667	7.8
173.09610	3.3
173.13274	2.2
181.10109	3.1
183.07918	1.4
183.11678	2.5
185.09598	2.4
185.13194	4.8
187.14796	13.7
189.11195	20.8
189.12724	1.5
191.10721	1.5
193.10153	2.1
193.12204	2.0
195.11671	3.7
197.11658	2.0
197.13271	17.0
199.11188	2.7
201.12788	1.7
205.10229	2.2
205.12169	1.8
207.11740	1.5
209.13197	2.2
211.11137	2.8
211.14700	2.7
213.12691	4.8
213.92731	1.2
215.14290	65.5
219.17569	1.4
221.13123	1.6
223.11154	2.2
223.14786	1.6
225.12866	1.6
227.12737	24.6
231.13715	1.8
233.15273	3.5
237.12747	2.0
239.14307	1.3
241.12193	2.3
245.13737	2.0
253.15894	1.5
255.13838	1.9
257.15341	2.0
269.15546	1.7
271.16827	4.6
287.16324	1.4
289.17966	1.5
331.20526	2.1
337.07056	1.3
339.23215	4.2
349.21561	13.3
357.24304	3.1
367.22635	31.6
385.23718	20.4
403.24738	5.5
403.29242	1.2
423.25134	2.3
441.26303	64.2
442.26880	1.2
459.27295	100.0
459.37857	3.0
460.27826	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	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01861	9.9
55.05503	12.2
57.03427	8.8
57.07066	4.8
59.04977	2.8
61.02912	6.2
65.15949	1.6
67.05492	29.0
68.99788	1.8
69.03065	2.9
69.03420	38.4
69.07053	16.8
70.06585	6.2
70.89336	4.6
71.04984	8.9
72.08141	8.5
73.02914	5.1
79.05484	11.0
81.03411	31.3
81.07049	36.3
83.04967	9.2
83.08614	7.9
84.08138	2.6
85.02895	74.5
85.06531	23.3
87.00821	23.0
89.10789	1.8
91.03963	1.5
91.05477	14.6
93.05792	1.6
93.07038	19.2
95.04967	9.8
95.08598	56.6
97.02880	24.6
97.06507	4.3
97.10159	3.7
99.04453	13.2
99.08088	7.6
101.02352	3.1
103.05467	3.2
105.01848	27.9
105.07023	13.4
107.04954	3.4
107.08578	27.8
109.02875	26.9
109.06487	8.6
109.10142	77.6
110.06141	1.9
110.06910	1.5
111.04428	3.5
111.08073	6.3
111.11669	2.6
113.09614	1.9
115.05460	3.9
116.06258	2.7
117.01843	2.6
117.07019	3.9
119.04922	2.3
119.08566	30.7
121.06502	5.0
121.10137	17.1
123.04424	4.3
123.08047	10.5
123.11710	9.7
125.05981	3.8
125.09634	3.1
127.03900	58.3
127.11178	2.4
128.06213	6.8
129.01808	4.9
129.07025	11.8
131.04926	4.2
131.08525	15.4
132.05707	3.7
133.06537	4.2
133.10112	22.3
135.08136	2.7
135.11673	56.4
137.05978	5.6
137.09592	23.4
137.10565	2.0
137.13225	4.8
139.07587	1.6
139.11142	2.8
141.06999	5.3
142.07813	1.8
143.08559	4.4
144.05687	6.4
145.04948	22.2
145.06473	6.5
145.10141	3.8
146.06007	1.7
147.02910	3.2
147.04396	6.9
147.08046	1.6
147.11707	4.4
149.05960	3.3
149.13274	8.5
151.07556	11.7
151.11172	9.1
151.14783	7.8
153.05460	1.7
153.12747	1.7
156.05618	2.0
157.06468	5.9
157.10023	1.6
158.07318	1.9
159.02861	13.7
159.08026	19.4
159.11678	3.5
161.06001	5.0
161.09593	8.9
163.07498	3.5
163.14793	6.9
165.05460	3.9
165.09087	30.4
165.16466	3.3
167.07022	94.1
168.07428	3.1
170.07291	4.3
171.08026	4.5
172.05159	3.1
173.05974	4.0
173.09650	2.5
174.06757	3.0
175.07567	3.3
175.11232	1.7
175.14813	38.1
177.04036	2.0
177.05463	2.0
177.09108	2.6
177.16354	11.8
179.07039	3.5
179.10605	4.5
179.14296	2.2
181.08563	6.2
181.15869	6.4
185.13297	1.8
187.07516	13.3
189.03880	2.7
189.05438	2.2
189.09106	7.1
189.16383	1.8
191.07036	4.4
191.10614	3.4
191.14284	2.2
192.07811	6.8
193.08632	5.5
193.15866	62.7
195.17455	14.3
197.11687	9.7
201.09076	2.8
204.07805	9.7
205.08510	2.1
205.12140	2.9
209.15414	2.0
211.09662	9.7
211.16907	100.0
212.17181	2.7
213.03932	3.7
216.07803	2.1
217.08635	4.7
217.15924	2.3
219.10197	7.2
221.11656	2.6
231.04980	15.7
231.10065	7.6
233.11656	3.6
249.06012	3.9
249.11208	45.0
250.11552	2.6
297.07614	3.2
301.17770	1.8
312.06317	3.0
327.08545	15.5
353.14066	2.1
371.11014	3.8
393.09772	2.9
405.09433	3.6
411.10715	1.8
423.10635	2.3
441.11536	2.5
441.29779	3.0
459.20071	42.6
459.30975	4.2
460.20602	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.03421	0.3
69.03403	1.2
69.07053	0.4
69.07814	0.3
69.61651	1.7
69.62056	0.7
70.06596	2.6
71.04974	0.5
72.08148	4.2
73.02875	0.3
77.03930	0.3
78.04685	0.4
79.05464	0.9
81.03401	0.5
81.07030	0.9
83.04978	0.5
84.08121	0.8
85.02876	1.2
85.06544	0.3
86.09680	0.9
89.03892	0.7
89.10775	0.6
90.04694	0.7
91.05468	2.8
93.07012	0.8
95.04941	1.4
95.08578	0.7
97.02878	0.9
98.06025	0.9
103.05462	5.4
104.06232	1.8
105.03362	0.8
105.07018	1.3
107.04958	2.2
109.06456	0.4
109.10106	0.4
110.02380	0.6
111.04469	0.3
112.07625	0.5
115.05416	0.5
115.08694	2.0
116.12950	0.3
117.03374	1.0
118.04121	1.2
118.06531	0.5
119.04903	1.2
119.08506	0.5
120.08092	0.5
121.06491	1.2
123.04440	0.7
124.05115	0.3
125.05949	0.4
127.03902	1.4
130.04120	0.6
131.04919	17.5
131.55193	0.3
132.05705	24.6
133.02838	1.8
133.06471	1.0
133.10107	0.4
134.03578	0.3
135.04407	1.4
135.08052	0.5
136.05165	0.5
137.05956	0.5
145.02831	1.0
145.06450	0.4
146.03622	0.7
146.05966	0.7
147.04445	2.5
148.05190	2.5
149.02325	0.5
149.05956	2.1
151.03871	0.5
151.07512	1.2
151.11142	0.3
153.01764	0.5
157.09891	0.4
159.04401	1.2
160.05188	15.6
161.02217	0.4
161.05983	1.5
161.13092	0.3
162.06758	1.0
163.03876	2.8
163.07553	3.6
163.11122	0.5
164.04572	0.4
165.05504	2.3
167.07033	6.3
173.05846	0.9
174.09087	0.3
175.03889	0.5
175.07458	0.5
175.11119	0.3
176.04680	1.7
177.05464	13.4
178.05923	0.4
179.03404	6.0
179.07002	5.7
180.07802	7.6
181.04916	0.8
181.08540	0.4
182.09413	0.5
185.09375	0.3
187.03871	3.0
189.05487	0.4
191.07021	25.5
192.07797	100.0
193.08138	2.2
193.12189	0.5
199.03871	1.3
206.07426	0.3
207.06508	6.0
207.08380	0.5
208.07272	1.8
209.08092	0.9
211.13235	0.7
217.04962	0.6
219.02852	0.7
222.06824	0.4
235.07541	0.5
237.09291	0.3
247.07506	0.6
249.05421	0.6
251.07056	0.4
252.52820	0.3
261.03894	0.5
263.07004	0.6
265.08463	0.5
275.07269	0.4
280.07452	0.4
287.05545	0.9
293.08017	0.8
295.09698	0.7
297.11218	0.4
305.06671	0.5
313.06940	0.3
321.07617	2.2
325.10718	1.5
337.06955	0.4
341.10275	2.1
353.10165	14.9
354.10364	0.5
371.11221	46.4
372.11615	1.5
397.18222	0.4
415.19568	0.4
423.11133	0.5
441.11859	0.3
441.16727	0.5
441.21030	0.4
442.18527	4.3
443.19019	0.3
459.21268	28.5
460.21701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.3
55.82117	0.6
56.05041	0.7
57.30193	0.6
60.04530	1.1
60.09062	0.6
62.19840	0.5
69.03419	0.9
69.07075	0.8
69.84078	4.1
70.06587	14.9
71.04964	0.7
72.08150	100.0
80.01353	0.7
81.03413	1.8
81.07038	1.0
82.02910	1.5
83.04965	0.8
84.08145	2.5
85.02908	3.0
86.09705	6.7
87.10046	1.4
89.10785	2.5
91.05486	2.7
97.02904	1.0
98.02425	2.3
98.06054	1.8
98.20805	0.7
99.00812	3.6
102.29972	0.6
107.04960	4.3
109.02878	1.6
110.02396	41.1
111.04443	0.7
115.08706	1.1
116.03471	1.3
119.04949	2.3
121.02843	1.8
122.06026	0.6
123.04366	0.9
124.07571	1.0
125.06007	0.8
125.21495	0.6
126.05554	0.7
127.03922	3.8
128.03421	3.8
129.10194	1.1
138.05463	1.0
145.06479	1.1
146.05995	0.9
147.04396	12.0
148.04779	0.8
152.07059	42.0
153.07491	0.8
154.04921	0.7
161.05927	1.1
163.03925	0.7
165.07040	1.0
167.07039	1.8
169.09711	39.8
170.08112	15.1
172.11163	0.8
173.05919	0.8
180.10217	1.8
181.06516	0.9
181.10571	1.6
187.10815	1.7
191.07068	0.9
197.05994	0.9
199.03931	0.7
199.14375	0.7
206.08147	1.8
207.06454	1.6
211.07455	0.9
217.13460	1.6
218.11783	2.6
219.08051	1.3
235.07709	1.1
235.92332	0.7
237.09201	2.4
241.08560	0.9
247.07588	1.9
250.06250	0.9
251.14018	0.7
258.08932	3.1
261.04028	1.4
261.14542	0.9
265.08612	2.7
267.14514	0.6
268.07022	0.9
272.10400	3.3
273.11200	1.3
277.15424	1.1
278.05740	0.9
279.06528	0.8
283.09528	1.2
292.07510	0.6
293.08090	2.3
294.08646	0.8
297.11304	1.4
297.14481	3.1
297.17651	0.6
306.08820	0.9
321.07526	0.8
325.10788	2.6
337.10684	0.9
338.07770	1.3
353.10239	1.8
354.13495	2.4
373.12582	0.8
397.14230	0.8
423.19131	13.2
424.17563	5.1
441.20166	12.4
442.18683	5.3
459.21326	52.7
460.21451	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	459.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58618	0.7
55.42930	0.7
60.04511	1.3
67.05511	0.8
70.06587	14.8
72.08152	8.0
72.40570	0.7
79.05483	1.3
84.08145	3.4
86.09691	1.6
89.03893	1.0
89.10791	2.2
91.05478	6.8
93.07032	1.3
95.04990	1.7
98.06109	1.9
103.05472	6.8
104.06264	2.5
105.03413	1.4
105.07050	2.1
107.04950	6.0
115.08678	4.7
117.03391	2.1
118.04207	2.2
118.06544	2.3
119.04969	4.4
120.08224	0.7
121.02855	0.8
121.06511	2.3
123.04423	1.3
130.04167	1.0
131.04927	21.8
132.05702	26.1
133.02823	4.7
133.06543	3.6
135.04417	3.1
135.08037	1.0
136.05162	0.9
136.07591	3.6
137.05986	2.1
145.02859	1.2
146.03635	1.4
146.05989	5.3
147.04419	6.2
148.05200	4.4
149.05984	3.9
149.66681	0.8
150.93222	0.9
151.07539	2.0
157.09723	3.3
159.04453	2.4
159.90477	0.8
160.05191	19.9
161.05965	10.8
162.06752	1.5
163.03870	6.1
163.07498	3.8
163.77144	0.7
164.04689	1.7
165.05476	9.6
167.07027	11.4
167.08389	0.9
171.04494	0.9
173.06026	0.9
175.03992	1.0
176.04678	1.9
177.05466	13.7
177.06898	1.4
178.06212	2.1
179.07042	11.2
180.07802	27.1
181.04988	1.4
181.08551	1.7
182.08040	1.4
182.09406	2.0
187.03900	4.8
191.07027	26.4
192.07799	100.0
193.08382	4.1
199.03880	1.6
205.06491	1.1
207.06532	6.9
207.08080	0.9
208.07253	4.0
209.08115	3.3
210.08826	2.9
219.08134	1.1
232.09883	0.8
233.06079	1.2
235.07573	2.0
240.10281	0.9
247.07611	1.2
250.06375	1.7
250.13177	1.4
260.10425	1.5
261.05408	1.4
263.07043	3.3
265.08640	0.9
271.07175	1.1
275.06934	1.6
277.05609	0.7
278.05801	1.3
279.06573	1.2
282.09070	0.8
286.10822	1.5
291.06543	1.1
293.08142	2.4
303.06601	1.4
308.06741	0.8
309.07483	1.8
311.09024	1.2
321.07587	19.9
322.08011	1.5
324.37885	0.8
325.10870	1.1
341.10278	2.6
353.10190	28.6
354.10596	2.1
371.11243	87.9
372.11514	5.3
415.70648	1.2
442.18500	5.4
459.21298	44.8
460.21695	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	459.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05501	3.4
56.96527	0.5
57.03446	0.4
58.06564	0.5
60.05647	1.1
69.03422	0.8
70.06239	0.8
70.06587	10.1
71.19400	0.8
72.08148	100.0
73.06516	0.6
73.08491	1.0
82.02937	1.8
84.08133	1.8
85.02885	2.3
86.09694	1.1
89.10782	2.7
91.05469	1.1
97.02903	0.8
97.07646	1.1
98.02412	2.3
98.06052	1.9
98.09706	0.7
98.97559	0.6
99.00800	3.0
99.04472	0.5
101.05948	0.5
105.96370	0.5
106.06362	2.0
107.04937	3.5
109.02921	0.6
110.02393	38.8
111.02708	0.6
114.10291	2.2
115.08695	1.3
116.03439	1.0
119.04922	3.0
121.02870	1.1
124.07551	0.5
127.03888	0.6
128.03426	3.2
131.12914	3.3
137.05957	0.7
141.59978	1.8
145.06467	1.0
146.04544	0.5
146.11745	0.5
147.04395	14.5
151.08656	0.6
152.07051	39.8
153.07509	0.7
167.07050	1.0
169.09708	40.2
170.08110	16.4
170.09575	0.9
173.05943	0.8
177.05484	0.6
181.06462	0.5
187.10698	1.0
191.07016	1.1
191.08571	0.8
194.07315	0.5
197.05988	0.9
206.08142	1.5
207.06519	1.0
211.07477	0.8
212.08316	1.5
213.09018	0.6
217.13303	1.3
218.11760	4.2
219.08054	1.4
222.06731	0.7
233.05981	0.7
234.06702	0.7
235.07555	0.9
235.14427	1.8
237.09076	2.3
247.07567	1.9
247.64143	1.3
249.09029	0.7
250.06375	0.7
256.15448	16.3
256.65588	3.9
258.08939	2.3
260.08960	0.6
260.13165	0.5
263.07104	1.0
264.07742	0.6
265.08548	3.2
272.10474	2.6
273.11194	1.4
277.08517	0.9
277.16418	0.9
278.05975	0.6
279.06607	0.7
279.16583	0.5
283.09604	1.1
292.07465	0.6
293.08084	2.0
295.05927	0.9
295.21466	0.5
297.11203	1.4
310.08853	0.4
325.10739	2.1
337.10587	1.1
338.07886	1.0
352.11865	0.8
353.10413	0.9
354.13351	1.8
356.25687	0.5
403.20621	0.5
405.18420	0.7
423.19116	13.3
424.17365	4.2
441.20230	11.3
442.18539	6.2
459.21237	52.4
460.22037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03936	0.6
55.05505	2.8
57.03431	0.5
57.07065	1.0
57.46420	0.3
59.04998	0.4
65.03938	0.4
67.05505	4.6
68.16141	0.4
69.03413	1.2
69.07060	3.9
69.39542	2.3
69.39961	0.9
71.05006	0.5
72.08157	0.4
79.05496	3.1
81.07050	7.6
83.04971	3.0
83.08616	2.1
85.06548	1.4
91.05463	2.8
93.07035	7.4
95.04977	1.8
95.08603	12.8
97.06499	1.9
97.10175	1.0
98.20705	0.8
103.05482	0.3
105.07025	5.7
107.04989	0.3
107.08589	12.9
108.08929	0.4
109.06525	1.5
109.10156	9.3
109.10896	0.5
111.04455	0.5
111.08083	1.6
111.11723	0.5
117.07008	1.1
119.08576	7.5
121.06556	1.8
121.10134	9.0
122.10455	0.4
123.08090	1.9
123.11695	5.2
125.09650	1.2
127.11212	0.3
129.07106	0.4
131.08540	1.9
133.06435	0.4
133.10118	9.7
133.11067	0.6
135.08037	3.5
135.08815	0.3
135.11679	11.2
137.05984	0.6
137.09621	1.0
137.13243	1.9
139.11206	0.6
143.08594	1.4
145.10118	3.5
147.08104	0.6
147.11674	5.1
149.09613	7.4
149.13248	2.4
151.11221	0.6
153.09163	0.4
156.09358	0.5
157.10085	1.8
159.07944	0.5
159.11719	3.2
161.09676	1.7
161.13245	4.1
163.11189	1.4
163.14816	1.2
165.12756	0.7
167.14479	0.4
169.10167	0.8
171.11667	2.0
173.09679	0.8
173.13264	2.7
175.11208	1.4
175.14816	2.5
177.12837	0.5
177.16338	2.3
179.14345	1.5
183.11740	0.7
185.13231	1.6
187.14828	3.0
189.12776	0.6
189.16377	6.1
189.24847	0.3
191.14308	0.7
191.18019	2.3
197.13283	1.2
199.14894	1.4
201.12796	0.5
201.16394	1.6
203.14325	0.5
203.17915	1.7
205.15941	0.9
207.17450	0.9
211.14839	0.9
213.16293	2.4
215.14244	0.6
215.18024	1.0
217.15907	1.2
219.17538	0.4
221.19092	0.5
225.16318	0.4
227.14792	0.4
227.17944	1.2
229.15926	0.7
229.19490	0.4
231.17380	2.3
235.16891	2.0
239.17905	0.6
241.19662	0.7
243.17453	0.5
245.19002	0.7
249.18564	1.0
257.22641	0.6
259.20538	0.7
267.21017	0.6
285.22183	1.5
287.20316	0.5
287.23526	0.4
297.35275	0.3
303.23203	3.6
313.19730	0.4
316.22028	0.3
331.26279	0.6
337.27438	0.5
345.27979	0.4
356.87595	0.3
421.34616	1.3
423.31134	2.1
439.35861	2.7
457.36841	100.0
458.37296	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	458.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99925	2.7
53.03941	8.2
55.05498	9.3
57.03420	10.8
61.02919	7.1
67.05499	38.7
69.03419	30.8
69.07059	16.0
70.81628	3.3
71.04977	6.3
71.37070	5.3
73.01279	3.7
73.02908	6.0
79.05501	22.0
81.03396	17.4
81.07056	48.5
81.49088	3.7
83.08608	7.5
85.02901	100.0
87.04456	5.6
91.03956	4.7
91.05462	14.8
93.07018	26.5
95.04948	5.6
95.08607	47.6
96.08913	5.5
96.54193	3.4
97.02888	27.5
97.10161	5.4
99.04431	5.1
99.08090	5.4
105.07024	14.1
107.08604	24.4
108.08928	4.1
109.02861	10.0
109.10152	31.1
117.07011	6.2
119.08553	14.0
121.10137	19.9
122.10452	4.8
123.11703	20.1
127.03899	26.8
131.08533	10.3
133.10100	12.3
134.10471	5.9
135.11639	16.0
136.12015	6.1
137.13245	7.8
145.04936	26.1
145.10091	7.9
147.08113	3.5
147.11665	9.9
149.09622	5.2
149.13214	5.3
150.13593	4.2
151.11133	3.4
159.11711	6.0
160.11935	4.4
161.13258	7.7
163.06020	3.7
167.74252	3.5
173.09579	3.4
173.13274	6.0
177.16495	4.2
180.08623	25.4
185.13269	3.3
187.14726	4.7
192.93620	3.5
206.16165	4.3
261.22159	5.1
279.23166	15.3
351.23340	3.5
384.65714	4.3
446.29678	3.8
457.81284	7.5
458.30942	4.7
458.37518	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	459.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01862	2.2
55.05498	3.2
57.03421	1.1
59.05024	0.9
59.42140	0.8
61.86641	0.8
67.05511	4.9
69.03424	5.3
69.07069	3.9
70.06583	1.2
71.62955	1.4
73.10474	0.7
78.04683	1.4
79.05476	4.8
81.03416	6.6
81.07059	8.0
81.82277	0.9
83.04991	1.4
83.08617	1.6
85.02901	9.1
85.06538	1.8
87.00813	2.2
91.05473	5.6
93.07052	7.9
95.04959	3.3
95.08597	7.5
97.02874	2.3
97.06535	2.0
97.10171	1.0
99.04444	1.9
103.05447	3.3
105.01847	1.6
105.07024	13.7
107.04948	11.7
107.08579	5.8
109.02865	2.6
109.06501	1.9
109.10164	5.8
111.04399	1.5
111.08059	1.7
115.05457	3.3
117.07007	3.5
119.04924	1.2
119.08604	4.2
121.06492	3.3
121.10147	2.9
122.62585	1.0
123.04414	3.1
123.08067	1.8
123.11697	2.8
124.05142	1.0
125.05927	0.9
125.09593	1.3
125.83084	0.8
127.03903	3.3
128.06261	1.4
129.06976	1.2
131.04924	2.2
131.08557	1.8
132.05730	1.3
133.06496	8.6
133.10115	3.1
135.08055	3.9
135.11684	3.5
137.05972	2.3
137.09590	2.5
137.13243	1.6
139.07559	2.0
141.07018	0.9
143.08575	1.2
145.06430	4.0
145.10109	1.9
147.04424	1.8
147.08066	2.4
147.11652	1.6
149.05983	2.1
149.13235	1.9
151.07533	7.5
152.04593	0.9
153.05417	1.5
153.06816	0.8
159.08054	1.8
159.11693	1.3
160.05112	1.0
161.05952	8.6
161.09564	1.6
163.07524	8.7
165.05432	1.4
165.09094	6.1
167.07028	100.0
168.07332	1.5
171.08023	1.8
173.05965	3.5
173.07378	0.7
173.09572	1.0
174.06720	1.1
175.07559	2.9
175.11273	0.9
175.14780	1.8
176.56277	0.7
177.05539	2.0
177.09088	2.3
178.06190	2.0
179.07010	1.0
181.05034	1.3
181.08575	8.1
187.07533	1.2
187.11176	1.4
187.13107	0.8
189.03954	1.3
189.05490	1.3
190.06281	1.0
191.07060	1.2
191.10649	2.6
192.07664	1.1
193.08600	15.8
193.12227	1.4
193.15881	2.6
195.10204	7.0
199.07565	2.0
203.07066	1.2
203.10640	0.9
205.08597	5.2
205.12161	1.3
207.06410	0.8
207.10136	3.8
209.08066	2.1
211.07796	0.8
211.09612	3.6
213.11133	1.5
215.06927	1.2
219.10184	1.1
221.07977	2.9
223.09645	2.0
227.06931	1.0
231.04990	1.1
231.10156	1.2
233.08069	2.5
235.09648	3.3
239.09120	4.7
241.08484	1.0
247.09685	1.3
249.11307	1.6
251.09177	3.6
253.10553	1.1
259.09601	2.2
273.14835	0.8
296.35306	0.9
301.10535	1.5
310.73300	0.9
319.11691	3.8
337.06931	1.4
367.22601	1.2
385.23685	2.2
405.11423	1.4
405.26993	1.0
423.12759	2.2
441.13815	2.0
441.29724	2.4
459.21201	1.0
459.27023	3.6
459.31915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
52.82364	1.1
55.05512	5.9
57.07071	3.2
67.05504	7.5
67.43577	1.2
69.07079	9.9
69.65390	9.7
79.05486	4.4
81.07054	18.7
83.05008	1.9
83.08611	6.4
85.06525	1.3
91.05463	7.0
91.61073	1.1
93.07042	17.1
95.04978	1.5
95.08604	35.4
97.06535	1.8
97.10153	1.9
99.08066	1.4
105.07022	15.3
107.08596	31.1
108.98075	1.2
109.06528	1.5
109.10157	28.4
111.08061	7.1
111.11703	1.8
113.09615	2.0
117.06997	1.9
119.08580	30.9
121.10133	23.3
123.08073	3.1
123.11715	11.1
125.09625	3.9
129.06985	1.6
131.08568	8.0
133.10124	30.4
135.08084	1.8
135.11693	19.8
137.09599	3.4
137.13246	4.7
139.11209	1.9
141.10416	1.3
142.07793	2.0
143.08565	4.7
144.09277	1.7
145.10117	12.3
147.08009	1.6
147.11694	17.2
149.09644	3.5
149.13245	7.7
151.11125	1.9
156.09375	5.9
157.10133	12.2
158.10938	1.5
159.11673	20.8
161.09636	2.3
161.13240	12.3
161.43753	1.1
163.11180	2.2
163.14795	7.7
165.12708	1.5
169.10141	2.6
170.10934	4.4
171.11673	20.7
173.13249	20.8
175.11209	2.7
175.14818	10.4
177.16388	4.9
179.14314	2.7
183.11691	3.9
184.12468	3.3
185.13274	10.6
187.11104	1.2
187.14816	12.2
189.12720	1.4
189.16362	16.6
191.14400	1.8
191.17941	15.6
193.15869	1.2
197.13272	8.5
199.14835	18.2
201.12549	1.2
201.16370	6.7
203.14420	1.5
203.17944	13.0
205.15935	2.0
205.19568	2.3
207.13750	1.7
207.17444	6.6
209.13284	1.1
211.14793	4.0
213.16367	23.2
215.17941	3.2
217.15915	5.1
217.19514	2.0
219.17426	3.3
221.18974	2.1
223.14789	2.0
223.17046	1.2
225.16449	3.4
227.17943	3.9
229.15926	1.8
229.19402	1.8
231.17447	14.0
233.19031	1.4
239.18068	1.6
241.19508	2.5
245.19023	1.5
249.18503	2.9
253.19661	1.5
255.21043	2.6
257.19028	1.7
259.20602	1.7
267.21078	2.4
269.22714	1.5
281.22635	2.5
285.22137	2.2
313.25565	1.2
351.26431	1.4
361.28723	1.4
371.07684	1.3
379.30008	3.1
381.31586	1.9
393.31509	1.5
395.33447	1.3
403.33676	2.9
421.34778	44.2
422.35168	2.1
439.35858	100.0
440.36230	5.5
457.37381	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	457.3675
Annotation	27-Desoxyphillyrigenin
Peak:m/z	Relative Intensity
53.03939	0.8
54.34594	0.6
55.05507	3.1
57.07068	1.5
61.29021	0.7
61.32574	0.6
67.05499	5.3
69.03432	1.5
69.07056	6.2
69.57899	5.6
75.18706	0.6
79.05480	3.4
81.07052	13.7
83.04996	4.1
83.08595	3.2
85.06541	0.9
91.05476	5.2
93.07036	9.8
95.04967	1.9
95.08601	23.8
97.06502	2.1
97.10146	1.5
98.21503	1.5
103.58953	0.6
105.07023	9.1
107.08593	20.3
109.06494	2.2
109.10151	16.6
111.08076	2.4
117.07032	1.7
119.08566	15.3
121.06480	2.0
121.10133	15.0
122.10495	0.7
123.08041	2.6
123.11693	7.4
125.09593	0.8
131.08568	2.9
133.10121	13.8
135.08009	3.0
135.11681	14.0
137.09605	2.6
137.13251	2.8
139.07484	1.3
139.11165	1.5
143.08597	2.0
145.10100	5.2
146.50043	0.6
147.08002	0.8
147.11668	8.9
149.09615	10.8
149.13245	4.3
151.11211	1.7
157.10130	2.9
159.11687	5.3
161.09637	1.8
161.13295	4.3
163.11188	1.5
163.14803	3.2
167.10670	3.6
169.10068	0.9
171.11650	2.0
173.13245	4.7
175.11160	1.1
175.14830	6.6
177.12753	0.8
177.16367	3.3
179.14339	1.3
185.13234	1.4
187.11160	1.1
187.14827	3.3
189.12714	1.0
189.16359	17.7
191.14253	1.0
191.17932	9.0
193.15907	3.8
197.13356	1.5
199.14810	2.4
201.16370	2.1
203.14433	1.0
203.17924	4.4
205.15895	1.3
207.17462	5.8
213.16383	1.6
215.17972	1.6
217.15927	3.1
217.19470	1.1
219.17453	1.5
221.15364	1.9
221.18994	1.1
227.17944	1.0
229.15903	1.3
229.19455	0.8
231.17493	2.0
233.18947	0.9
235.16905	4.4
243.21167	0.8
245.19202	0.9
249.18532	2.1
255.21017	0.7
257.18964	0.8
263.20093	0.7
271.20535	1.3
275.19968	0.9
277.21744	1.0
285.22134	1.6
303.23239	4.3
315.23041	0.7
403.33603	0.7
411.32394	1.0
421.35080	6.2
427.41602	0.7
429.34064	1.0
439.36282	6.4
457.37430	100.0
458.36987	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	457.3671
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05504	3.9
56.44928	0.7
57.03441	1.3
57.07065	1.9
59.38870	0.6
67.05500	7.8
69.03382	0.6
69.07058	6.7
70.73735	1.9
71.04993	1.6
72.20095	0.6
79.05482	3.8
81.07047	11.9
83.04981	1.7
83.08630	2.6
91.05476	3.0
93.07034	9.6
95.04977	1.0
95.08598	17.7
97.06548	1.7
97.10172	1.8
97.33818	0.7
99.08079	3.8
105.07035	4.6
107.08584	12.8
108.08914	0.8
109.06504	1.8
109.10143	12.4
111.08086	1.5
117.07046	1.0
119.08574	10.1
120.96615	4.2
121.06524	1.5
121.10126	11.2
123.08078	1.9
123.11709	7.4
125.09609	0.8
131.08560	2.4
133.10115	10.9
135.08049	3.9
135.11665	10.6
137.09572	0.8
137.13287	2.0
139.11095	0.9
143.08626	1.2
145.10127	5.0
147.08025	1.4
147.11682	6.7
149.09610	4.8
149.13266	3.9
151.11165	0.8
157.10146	2.2
159.11697	4.8
161.09662	2.1
161.13275	3.6
163.11211	1.1
163.14801	2.1
165.12753	0.7
169.12201	0.9
171.11703	2.3
173.13272	3.0
174.98543	0.7
175.11200	1.7
175.14861	4.3
177.16393	1.9
179.14241	0.8
183.11691	0.8
185.13309	2.1
187.11195	1.1
187.14842	2.7
189.12776	1.3
189.16367	6.7
191.17984	1.8
197.13351	1.3
199.14835	1.9
201.16367	2.4
203.14288	1.7
203.17989	2.1
205.15919	1.9
207.17412	3.9
213.00046	0.9
213.16376	2.3
215.14357	0.8
215.17996	1.6
217.15955	1.6
218.06084	0.9
223.14767	0.9
227.18018	1.6
231.17494	1.9
233.19041	0.9
235.16875	5.0
239.18121	0.7
241.19623	1.6
249.14836	0.9
249.18498	1.0
253.19583	1.2
267.21039	1.1
271.20700	0.8
285.22037	1.3
299.23917	0.9
303.23267	1.3
337.27347	4.1
341.28574	1.1
359.25766	1.2
421.34628	2.2
439.36478	4.5
457.23773	5.5
457.36804	100.0
458.37616	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	3alpha-Hydroxyolean-12-en-27-oic acid
Peak:m/z	Relative Intensity
55.05493	3.9
57.07057	1.9
67.05505	6.4
69.07067	13.3
71.08599	1.0
71.64475	1.1
72.15060	0.9
79.05470	3.4
81.07054	16.9
83.06033	0.9
83.08604	4.8
91.05475	3.0
93.07045	6.9
95.08604	31.8
97.10167	2.1
105.07034	7.4
107.08591	14.6
109.06538	1.3
109.10159	15.3
111.11686	3.6
119.08578	10.5
121.06541	0.9
121.10117	11.3
121.17104	0.8
123.08068	2.1
123.11697	8.7
129.07042	1.0
131.08571	3.6
133.10120	12.2
135.08052	1.2
135.11694	8.4
137.09636	1.2
137.13243	14.4
139.07498	1.7
139.50439	0.9
143.08525	1.7
145.10104	4.1
147.11670	7.0
149.13274	4.6
151.07542	1.4
151.14780	2.3
153.09087	3.1
157.10179	2.0
159.11710	5.0
161.09583	0.9
161.13232	3.2
163.11012	1.8
163.14787	1.6
165.09085	2.2
171.11644	2.9
173.13268	5.4
175.11189	1.3
175.14816	13.7
177.09247	1.2
177.12860	0.9
177.16350	4.8
179.10649	3.6
185.13322	2.0
187.14790	2.1
189.16373	3.8
191.17891	5.3
193.12198	2.0
195.13696	0.8
199.14815	1.0
201.16394	1.3
201.20505	0.9
203.10555	1.0
203.14316	1.1
203.17860	4.7
205.19592	1.2
210.99336	0.9
213.16443	1.7
215.17845	1.7
217.19458	2.1
219.13762	1.4
221.15323	3.5
227.17912	1.6
229.19487	3.0
241.19667	1.9
243.21077	12.6
245.22563	1.1
247.20499	1.5
255.21066	3.1
257.19107	1.2
257.22632	1.5
257.25208	0.9
259.20572	1.0
261.18692	1.0
269.22495	2.4
273.22049	1.3
283.23993	1.3
284.26776	1.0
289.21658	1.1
296.08765	0.9
301.21622	3.3
303.23172	1.5
339.29935	1.0
379.29080	1.0
393.35150	3.9
411.36221	24.2
421.34549	3.0
439.35709	100.0
440.36053	6.3
457.36856	27.4
457.43805	1.8
458.37192	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3672
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03951	0.5
55.05506	2.4
57.03444	0.6
57.07064	0.9
65.03953	0.4
67.05496	3.9
69.07069	4.1
71.36801	0.5
71.37145	0.5
79.05473	2.3
80.38272	0.4
81.07051	8.7
83.04978	2.3
83.08610	1.4
85.06542	0.9
91.05466	2.8
93.07034	7.6
95.04967	1.5
95.08599	14.4
96.08958	0.5
97.06500	0.6
97.10168	1.0
102.13514	0.3
105.07014	6.7
107.07852	0.7
107.08583	13.2
109.06522	1.0
109.10144	9.2
109.10902	0.4
111.08099	0.9
111.11723	0.6
117.07003	1.0
119.08572	8.7
121.06492	1.1
121.10130	9.3
122.10501	0.4
123.08069	1.2
123.11682	4.1
125.09589	2.5
129.07062	0.4
131.08560	2.3
133.06516	0.5
133.10120	8.0
135.08047	1.8
135.11691	8.5
136.12030	0.4
137.09615	0.6
137.13266	1.4
139.07535	1.0
139.11229	0.4
143.08551	1.8
145.10106	3.8
147.08057	0.8
147.11678	5.5
149.09610	3.1
149.13245	3.0
151.07617	0.5
151.11179	1.3
155.08553	0.4
157.10078	2.1
158.10773	0.3
159.08076	0.4
159.11708	2.8
161.09654	3.1
161.13219	3.0
163.11214	1.4
163.14807	1.9
169.10086	0.5
170.10928	0.3
171.11690	1.7
173.09654	0.8
173.13216	2.4
175.11179	1.6
175.14812	4.9
177.12779	0.6
177.16382	2.7
179.14294	0.7
183.11700	0.6
185.13245	1.6
187.14793	2.7
189.12794	1.4
189.16359	6.1
191.14360	0.8
191.17880	1.9
193.15964	0.5
197.13239	0.7
199.14838	1.0
201.16400	1.2
203.14349	1.3
203.17955	4.1
205.15860	0.4
207.17366	0.8
211.14821	0.4
213.16451	1.2
215.18002	0.6
217.15901	1.4
221.15297	0.6
221.19016	1.2
227.17941	0.9
229.19524	0.4
231.17500	1.1
235.16940	3.1
241.19406	0.5
243.21211	0.4
247.16795	0.6
249.18597	1.0
259.20609	0.6
267.20944	0.6
271.20483	0.4
275.20093	0.4
281.22513	0.4
285.22171	1.5
303.23172	1.2
397.31143	0.4
421.34528	1.1
439.36240	4.9
440.36707	0.4
457.36816	100.0
458.37219	6.0
459.20325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3673
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.66012	1.4
55.05508	5.9
55.63353	1.7
57.07066	1.9
67.05502	10.5
69.07068	13.4
69.70992	10.1
70.21655	1.3
71.68307	1.4
79.05495	7.2
81.07048	24.5
83.08634	7.9
91.05463	6.9
93.07039	25.2
95.04980	1.9
95.08596	54.0
97.06529	2.1
97.10168	2.2
105.07033	14.0
107.08590	43.7
108.08887	1.4
109.10149	26.2
111.08102	1.7
119.08578	24.9
121.10136	32.7
123.08067	2.7
123.11718	13.9
131.08595	2.0
133.10118	19.9
135.11684	21.0
137.09595	2.3
137.13283	4.6
139.07434	1.6
139.27339	1.4
145.10127	7.9
147.11674	13.9
149.13239	17.7
159.11687	5.0
161.13249	15.3
163.11086	2.0
163.14813	34.0
165.66528	1.6
171.11732	1.7
173.13252	3.3
175.14772	12.8
177.12691	1.9
177.16359	16.5
179.14317	3.5
187.14838	7.6
189.16377	29.0
189.18063	1.9
191.17957	25.9
199.14832	1.7
201.16367	5.6
203.17946	33.1
205.15858	2.3
205.19478	7.1
207.17415	10.2
213.16461	1.9
215.18015	3.2
217.15733	2.2
217.19560	6.2
219.17537	2.1
219.21097	2.4
221.19017	6.6
227.17908	2.0
229.19467	4.0
231.21065	9.5
233.18999	2.3
235.16968	3.0
246.41936	1.4
247.17075	1.9
247.20679	1.6
249.18535	3.3
294.06989	1.5
296.91577	1.5
297.25711	3.9
315.26926	1.6
393.35132	7.2
401.88901	1.6
411.36206	100.0
412.36783	7.3
439.35980	18.2
440.35800	1.8
457.37552	13.8
465.26877	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	457.3672
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
51.45784	1.4
55.05511	3.0
64.48338	1.5
67.05501	5.8
69.03439	1.5
69.07066	10.9
69.61481	7.0
69.61892	5.0
79.05493	3.1
81.07066	12.4
81.07488	2.3
83.08597	2.6
85.04626	1.4
91.05497	3.0
93.07037	10.0
95.04964	3.3
95.08612	19.7
97.10184	1.8
98.20713	1.8
105.07012	11.0
107.08598	20.4
109.06522	3.1
109.10155	14.2
111.11651	1.6
115.65553	1.7
117.07004	1.7
119.08582	18.7
120.47648	1.5
121.06531	1.9
121.10130	18.9
123.08049	2.9
123.11715	5.1
131.08580	4.2
133.10129	36.3
135.08044	4.6
135.11678	17.3
137.09627	2.9
137.13199	3.9
139.11153	1.7
145.10106	11.7
147.11679	14.4
148.41226	1.4
149.09581	2.6
149.13264	8.8
157.10117	2.7
159.11697	8.1
161.09608	3.5
161.13271	10.5
163.14861	3.6
170.10918	2.1
171.11644	2.1
173.09560	1.6
173.13289	9.8
175.11218	3.2
175.14795	10.8
177.16380	2.3
183.11720	2.3
185.13281	3.6
187.14793	13.4
189.16399	14.6
191.17986	3.5
193.15945	2.1
199.14793	3.7
201.16364	2.9
203.14330	3.4
203.17924	2.6
207.17509	2.9
213.16284	3.0
215.14281	10.2
215.17958	3.3
217.15878	5.0
225.16243	1.6
227.17964	2.6
241.19580	2.4
257.19266	1.6
257.22665	2.1
259.20499	3.0
265.19577	3.4
273.21851	2.0
283.20670	4.4
285.22183	1.9
313.25400	1.7
378.32904	1.7
382.27631	1.5
403.33362	7.7
421.34634	100.0
422.34927	5.5
439.35733	75.7
440.36087	3.7
457.36810	41.2
458.37299	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3672
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
55.05514	2.6
57.03423	0.6
57.07072	0.7
65.03924	0.7
67.05506	5.3
69.03415	0.8
69.07066	4.6
70.05369	2.3
71.05000	0.5
71.59563	0.4
73.38528	0.3
79.05486	3.1
81.07052	10.5
83.04983	3.8
83.08627	2.1
84.75031	0.4
85.06564	0.6
85.61121	0.4
91.05473	2.9
93.07040	9.5
94.66151	0.4
95.04958	1.1
95.08602	18.5
97.06535	1.2
97.10175	2.0
98.20788	0.4
99.08071	0.9
105.07020	10.3
107.04981	0.4
107.08588	13.4
109.06522	1.4
109.10149	13.1
111.08070	1.1
111.11796	0.5
117.07005	0.9
119.08574	12.2
121.06475	0.8
121.10132	11.5
123.08062	1.7
123.11714	4.6
124.41486	0.4
125.09632	1.2
129.07030	0.9
130.07645	0.5
131.08563	3.0
133.10118	10.0
133.11058	0.7
135.08049	1.7
135.11690	9.3
135.16922	0.4
137.09605	0.9
137.13239	1.9
139.11125	0.7
143.08540	2.4
145.10127	4.1
147.08063	1.0
147.11676	6.8
149.09590	3.0
149.13235	3.6
151.11189	0.8
153.12828	0.5
155.08597	0.7
157.10107	2.1
159.08089	0.5
159.11668	3.8
161.09630	2.0
161.13242	4.6
163.11166	0.7
163.14815	3.3
165.12744	0.6
169.10178	0.7
169.54213	0.4
171.11649	2.0
173.09663	0.5
173.13268	4.3
175.11264	1.3
175.14828	7.3
177.12747	1.2
177.16373	5.1
179.14308	1.3
183.11772	0.7
185.13240	2.0
187.14815	3.0
188.60794	0.4
189.12756	0.8
189.16360	6.5
191.14372	0.7
191.17949	3.3
193.15944	0.8
193.58539	0.4
197.13263	0.9
199.14847	1.2
201.12872	0.5
201.16399	3.1
203.14331	1.7
203.17937	6.5
205.15919	1.0
207.17476	1.8
211.14871	1.0
213.16357	2.4
215.18028	1.0
217.15942	1.5
217.19559	0.9
219.17470	0.5
221.15549	0.5
221.18977	2.4
225.16594	0.5
227.18034	1.3
229.15970	0.7
229.19507	1.0
231.17421	3.1
233.18996	0.6
235.16850	2.2
241.19505	1.3
243.21042	0.6
245.18930	1.0
249.18456	2.3
255.21121	0.6
257.22647	0.6
259.20627	0.9
261.22079	0.6
264.14948	0.5
271.20578	0.7
273.22324	1.4
285.22147	1.8
285.25156	0.5
287.23639	0.6
299.23810	0.5
303.23303	0.9
341.28256	0.8
353.07574	0.4
416.86499	0.5
421.34875	5.1
427.36041	0.7
439.35965	9.4
440.36136	0.9
457.36801	100.0
458.37112	6.6
473.63113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
55.05496	4.4
57.07075	2.5
60.84816	1.2
62.46918	1.3
67.05497	4.7
69.03397	3.2
69.07067	12.0
70.04559	3.4
70.04977	5.5
71.54131	1.2
72.67695	1.2
77.57783	1.3
79.05502	2.7
81.07059	14.6
83.08604	2.0
91.05476	3.0
93.07036	9.2
95.04947	3.4
95.08605	26.8
97.06486	1.6
97.10171	1.8
105.07015	10.8
107.08584	16.7
109.06471	3.7
109.10143	16.9
111.08074	2.0
111.11687	1.6
119.08574	31.6
121.06518	3.3
121.10141	50.2
121.11019	3.4
122.10443	1.6
123.08050	4.3
123.11717	7.9
126.91772	1.5
131.08559	4.0
133.10121	21.7
135.08043	3.9
135.11655	14.1
137.09604	3.2
137.13249	7.1
143.08513	2.0
145.10095	8.7
147.07887	1.4
147.11687	7.5
149.09605	2.8
149.13258	15.6
157.10150	3.8
159.11743	7.0
161.09630	4.1
161.13246	9.1
163.11137	2.4
163.14790	2.6
165.12717	5.4
171.11708	2.0
173.09662	2.1
173.13303	7.2
175.14825	38.4
177.12769	1.6
177.16423	2.7
185.13280	1.9
187.11194	1.6
187.14851	12.2
189.12695	3.4
189.16341	7.8
191.17943	4.3
193.12221	4.8
193.15889	47.3
199.14865	3.3
201.16380	2.0
203.14288	2.4
207.17458	1.3
211.14874	2.6
213.12758	1.7
215.14392	9.9
215.18013	3.9
217.15849	6.6
219.17371	2.7
229.19536	2.0
231.17459	4.4
233.19016	3.2
243.21147	2.7
245.18953	2.3
251.18199	1.6
259.20624	3.4
265.19559	3.3
271.20428	1.9
273.22043	1.9
283.20572	2.1
284.26556	1.7
285.22424	1.6
287.24222	1.5
299.23645	4.0
369.31778	1.6
393.35132	2.1
403.33679	7.1
411.32370	2.4
421.34607	70.3
422.34811	4.7
439.35818	100.0
440.35944	3.6
446.46991	2.3
457.36887	81.4
458.36926	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	457.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55220	0.9
55.05497	3.3
56.96576	1.5
57.03429	3.6
59.04980	2.0
61.02906	1.5
65.03928	0.9
66.49369	0.9
66.69471	0.9
67.05499	26.5
69.03426	7.5
69.42290	0.9
70.04492	4.6
70.06585	4.4
71.04987	100.0
72.08146	7.2
73.02919	5.5
79.05492	1.0
81.03435	2.4
81.07044	2.8
83.04986	1.8
83.08600	2.9
84.08142	2.3
85.02895	13.6
85.06532	4.2
86.06104	1.8
86.09693	1.5
87.04457	2.3
88.04005	1.3
91.03957	0.9
91.05434	1.3
95.04978	1.6
97.02888	7.5
97.07594	1.0
98.02452	1.0
98.09708	1.8
98.20812	1.6
98.97582	1.2
99.04446	1.8
107.04962	1.2
107.08586	2.1
109.02881	3.4
109.06530	1.3
109.09440	1.9
109.10155	24.6
110.02396	2.0
110.06013	1.1
110.07170	3.3
112.07545	1.0
115.03922	2.1
115.08734	1.0
116.98645	1.4
119.04931	1.6
121.02859	2.9
123.04503	1.2
124.07594	1.0
127.03922	5.5
127.11182	88.2
128.11459	1.4
131.04865	1.1
133.04958	1.9
133.10059	1.2
135.07990	1.2
136.07564	2.0
137.05930	1.3
138.05449	1.3
139.03870	1.1
145.04877	2.3
145.12227	55.5
147.04398	5.7
152.07072	1.0
156.06552	2.2
163.03896	3.3
163.13284	84.7
164.13702	1.3
173.04543	0.9
177.05490	1.1
178.04970	1.1
218.11705	1.5
235.14317	2.2
258.06506	1.5
259.08521	1.1
267.16907	1.3
270.92737	1.0
277.15564	2.0
293.07724	1.0
295.05908	3.3
295.16931	2.5
295.20230	2.6
307.06003	3.3
308.06619	1.1
322.08301	1.2
325.07056	10.8
325.18698	4.9
337.06927	3.7
351.08563	2.7
365.10016	1.2
377.50150	1.1
379.08139	7.4
391.07962	2.3
409.09198	2.6
421.09186	1.8
439.10181	3.5
457.11755	10.3
457.21436	3.1
458.16241	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	Salasone A
Peak:m/z	Relative Intensity
50.93056	1.5
55.05492	3.1
55.10527	1.5
57.07072	3.2
60.12382	1.5
67.05502	8.3
69.07066	8.3
69.57206	7.4
69.57635	6.5
71.08598	2.5
73.61420	1.4
79.05482	3.0
81.07049	12.3
83.08616	4.4
83.09859	1.6
83.46733	1.5
85.06512	1.7
86.51694	1.9
86.86941	1.8
91.05463	2.1
93.07047	7.1
95.08591	20.7
99.08086	26.5
99.18402	1.8
105.07043	5.1
107.08586	11.5
109.06528	3.1
109.10146	16.8
111.08085	1.7
119.08564	10.9
121.10141	11.4
123.08099	2.6
123.11722	6.6
131.08582	3.8
133.10089	10.9
135.08052	2.8
135.11676	9.2
137.09668	2.2
137.13275	7.7
145.10117	4.3
147.11702	4.5
149.09599	2.2
149.13290	6.4
151.11203	1.9
157.10095	2.5
159.11685	5.7
161.09666	2.8
161.13243	3.1
163.11243	2.4
163.14880	3.3
173.13226	4.7
175.14830	2.9
177.12723	2.0
177.16423	2.2
185.13243	2.3
187.14877	3.3
189.12828	1.8
189.16417	5.6
191.17908	3.9
200.20213	1.8
201.12788	2.0
201.16472	3.8
215.14516	1.9
217.15865	1.9
219.17349	1.9
231.17459	2.2
235.17020	3.1
243.21295	2.8
245.19113	2.7
248.70766	1.7
257.22577	2.3
259.20593	2.3
269.22693	1.6
295.24313	1.9
339.26938	2.9
341.28333	5.3
381.31573	2.0
383.33035	6.5
421.34885	9.0
439.35214	24.9
457.36795	100.0
457.43994	5.1
458.37234	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3671
Annotation	Gummosogenin
Peak:m/z	Relative Intensity
55.05498	4.7
55.10089	0.9
57.07058	3.5
64.18291	0.9
67.05495	8.9
69.03410	1.3
69.07063	10.4
69.61503	9.0
71.08611	1.8
79.05478	3.7
81.07050	21.5
83.08601	4.2
88.07594	1.1
91.05460	5.0
93.07040	11.6
95.04992	1.9
95.08601	35.4
95.50917	1.0
97.10138	2.3
98.20811	2.4
105.07008	9.8
105.47696	1.1
107.08585	16.4
109.06476	4.1
109.10149	17.1
111.08073	1.7
111.11686	2.9
117.07011	1.6
117.29053	1.0
119.08559	15.1
121.06523	7.0
121.10134	16.7
123.08070	2.9
123.11714	6.9
126.01849	1.0
129.06944	1.0
131.08560	4.0
133.10127	15.4
135.08023	4.6
135.11668	14.8
137.09602	2.3
137.13263	6.0
139.07680	1.1
143.08545	3.3
145.10124	4.8
147.08035	2.0
147.11694	11.3
149.09581	3.1
149.13193	6.7
151.11194	1.2
151.14862	1.3
157.10097	5.3
159.08145	1.0
159.11714	6.6
161.09604	2.8
161.13310	5.7
163.11217	2.3
163.14734	5.2
165.24821	1.0
171.11664	4.8
173.13258	5.1
175.11227	2.7
175.14832	6.8
177.12944	1.4
177.16380	3.7
183.11716	1.7
185.13243	3.6
187.11139	1.1
187.14787	4.5
189.12767	1.5
189.16357	14.8
191.14346	1.4
191.17943	4.6
199.14786	7.3
200.20099	2.5
201.12584	1.3
201.16350	3.4
201.20424	2.9
203.14297	3.5
203.17921	3.0
205.15924	1.9
205.19545	1.9
207.17390	7.4
213.16373	3.9
215.14291	4.3
215.17932	2.3
217.15828	11.8
217.19254	1.1
219.17462	3.0
227.14261	1.4
227.17937	1.9
229.19600	1.3
231.17439	3.8
235.16864	2.2
241.19666	1.4
243.17386	1.2
243.21021	2.4
245.18942	1.4
248.41168	1.1
253.19473	1.6
255.21143	1.6
257.22308	1.2
259.20572	10.2
271.20517	2.7
283.20514	3.4
283.26334	2.5
284.26663	3.2
287.23492	1.5
313.25098	1.8
327.26886	1.4
345.27515	4.9
365.28354	3.8
391.33618	2.0
403.33444	3.7
409.34622	27.0
411.36227	4.6
421.34628	40.1
422.35052	2.7
439.35709	100.0
440.36105	4.0
457.37460	85.2
457.44260	10.8
458.37030	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	457.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.5
59.04992	2.1
67.05499	27.9
69.03426	10.0
70.05186	9.7
70.06579	7.1
71.04991	100.0
72.08154	13.7
73.02918	2.4
81.03407	4.5
81.07048	5.0
82.06593	2.1
83.04968	2.9
84.08132	4.2
85.02903	14.7
85.06559	3.3
87.04455	4.1
89.10798	2.9
91.05476	2.9
97.02890	9.7
97.82668	1.5
98.09679	3.6
99.04459	2.7
107.04964	1.8
107.08575	2.8
109.02854	5.0
109.06499	2.6
109.10150	21.1
110.02375	2.2
110.07121	2.3
114.10309	2.1
115.03902	2.8
115.08678	2.1
119.04934	6.8
123.04439	1.6
127.03903	6.5
127.11185	74.6
133.04971	5.1
134.99614	1.9
135.04398	1.7
137.05983	1.9
138.05489	1.7
140.07072	2.2
145.04939	2.7
145.12224	51.2
147.04398	16.9
152.07095	3.0
163.03873	3.7
163.13286	82.2
175.03928	3.5
177.05565	1.7
207.06520	9.4
235.14423	3.8
251.78716	1.8
295.05609	2.0
295.16455	2.7
295.20334	2.3
325.07111	2.7
325.18567	3.2
367.08682	1.8
371.17960	4.0
372.18484	23.5
415.20419	2.0
457.11749	3.4
457.20621	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01861	1.8
55.05513	4.7
57.03424	2.1
60.44172	0.9
61.02910	1.1
64.35142	0.8
67.05493	5.7
68.53344	0.8
69.03419	8.3
69.07050	3.0
70.06573	1.7
71.04975	2.4
72.08149	1.0
79.05491	7.8
81.03410	3.6
81.07047	9.5
83.04970	3.8
83.08614	1.7
84.08125	1.5
84.44990	0.8
85.02899	8.1
85.06544	2.0
86.09690	1.6
87.00822	1.3
87.04423	1.2
91.05463	7.6
93.07053	6.6
95.04971	2.9
95.08586	6.9
97.02908	5.1
97.06522	2.5
99.04393	1.7
100.11221	2.7
103.63455	0.8
105.01868	1.7
105.07030	9.8
107.04943	4.2
107.08589	19.5
109.02875	2.3
109.06494	5.4
109.10150	6.9
111.04415	1.1
111.08011	1.4
115.05440	1.2
117.06982	2.6
119.04948	1.3
119.08570	6.5
120.08094	1.1
121.02878	1.9
121.06506	2.7
121.10136	12.5
122.06037	1.1
122.07282	5.0
123.04412	1.4
123.08061	2.7
123.11694	1.6
125.09591	1.1
127.03909	6.8
131.08589	4.1
133.02859	1.0
133.10121	100.0
134.10489	1.1
135.04425	1.0
135.08044	8.2
135.11659	3.2
137.05997	1.4
137.09610	53.7
143.08536	1.7
143.55266	0.8
145.04979	1.8
145.10095	2.6
147.04391	2.2
147.11742	4.0
149.05914	1.0
149.09618	2.4
149.13254	10.4
151.07539	5.8
158.10925	1.5
159.11636	2.1
161.13223	1.1
163.03885	1.8
163.14806	2.5
165.09122	3.5
165.12747	1.2
167.07022	4.0
171.11719	1.2
173.13237	7.3
182.15401	2.1
183.54150	0.9
189.16396	1.3
191.10635	2.7
191.14291	60.2
205.12259	1.2
209.15260	5.6
210.14751	1.1
229.62346	1.0
270.94788	0.9
279.78738	0.9
295.06131	5.4
299.05295	0.9
313.71317	0.8
327.04926	1.5
337.06586	0.8
363.15234	0.9
439.09677	1.0
457.15820	2.1
457.23703	2.2
457.36530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1851
Annotation	Kushenol G
Peak:m/z	Relative Intensity
54.75665	1.0
55.01870	1.2
55.05494	2.2
57.07052	1.5
67.05491	1.8
68.80838	1.3
69.07046	4.2
71.61935	1.2
72.28553	1.0
79.05484	2.4
81.07061	6.5
82.16766	1.0
83.04980	1.7
83.08598	1.9
85.06552	1.4
91.05479	2.3
93.07048	5.3
95.08614	7.1
105.06997	6.4
107.08580	7.2
109.06474	1.5
109.10158	6.7
117.03356	1.5
119.06054	1.0
119.08579	10.7
121.10119	4.9
123.04408	1.4
123.11673	3.3
131.08607	1.7
133.10065	5.1
134.03587	1.4
135.00946	1.0
135.11661	4.5
138.55580	1.0
142.55922	1.6
143.08482	1.5
145.10110	3.1
147.11638	4.0
149.13202	1.6
151.07423	1.1
155.32428	1.1
157.10132	1.8
159.11676	2.9
161.13210	2.4
167.06886	1.3
171.11623	1.4
173.13181	2.3
175.11055	1.2
175.14821	1.7
185.13313	1.8
187.14864	2.2
189.16356	3.5
195.02888	1.3
197.13136	1.3
201.16406	1.9
203.17955	2.5
205.15836	1.3
207.17392	2.2
215.17879	1.1
217.12427	1.4
253.04895	2.5
282.05319	1.4
310.04718	29.5
311.05310	2.2
313.06860	1.6
323.09076	1.2
324.06326	7.2
325.07040	100.0
326.07422	1.9
339.08673	12.2
350.07974	6.1
365.10242	16.2
369.80566	1.3
381.13287	12.2
383.11237	39.9
395.14685	2.1
401.12393	15.0
421.16391	5.9
432.23282	1.1
439.17609	12.5
439.31577	2.6
457.18713	14.7
457.32709	3.6
457.37390	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	457.1854
Annotation	Kushenol G
Peak:m/z	Relative Intensity
50.97309	0.2
53.03904	0.3
55.01849	0.3
55.05462	0.8
67.05503	1.3
69.03379	0.7
69.07070	1.3
71.62536	0.5
72.08111	0.3
73.85551	0.2
79.05430	0.8
81.03387	0.3
81.07029	1.6
83.04922	0.3
83.08581	0.4
85.02876	0.3
89.03895	0.3
91.05467	2.0
93.07043	1.3
95.04917	0.7
95.08067	0.2
95.08595	2.1
97.02876	0.2
97.10131	0.3
102.40405	0.2
103.79874	0.2
105.03367	0.3
105.07015	1.2
107.04924	0.3
107.08559	1.4
109.06490	0.5
109.10158	1.6
111.07986	0.4
117.03280	0.3
117.06985	0.3
119.04893	1.2
119.08568	1.4
121.06448	0.4
121.10123	1.5
123.04370	1.1
123.08026	0.4
123.11610	0.7
125.09569	0.3
131.08524	0.4
133.10129	1.2
134.03557	0.8
135.08008	0.3
135.11661	0.8
137.09546	0.5
141.05379	0.3
143.08504	0.3
145.10056	0.7
147.04393	2.1
147.11632	0.7
149.09575	0.4
149.13158	0.5
151.03816	0.5
151.07491	0.4
151.11162	0.3
157.10039	0.2
159.11670	0.5
161.13159	0.3
163.03793	0.3
163.11116	0.3
165.05426	1.2
165.09036	1.1
167.07018	1.6
171.11665	0.6
173.13310	0.4
175.14719	0.3
177.16379	0.3
181.04947	0.3
187.07462	0.4
189.16281	0.4
191.03369	1.5
195.08025	0.4
203.17966	0.4
205.12137	0.3
207.02881	0.3
207.17368	0.4
208.03610	0.4
209.04417	1.6
209.15269	0.3
223.07478	0.5
239.06949	0.7
240.07738	0.8
250.06113	0.4
251.07008	1.0
267.06580	2.3
268.07220	1.2
276.15704	0.3
279.06421	0.5
281.04395	0.4
283.09674	0.3
295.05902	2.8
296.06772	3.2
299.12827	0.3
306.05103	0.5
307.05936	0.5
309.04324	0.3
311.09091	1.8
321.07605	0.7
323.05457	2.7
324.06250	41.2
325.06668	1.8
327.08585	1.1
339.08597	100.0
340.08887	4.1
345.09674	1.9
357.09650	57.6
358.09927	1.8
365.10019	0.4
381.12286	1.2
403.15497	0.8
421.16455	0.7
421.34198	0.3
439.17624	6.2
439.35953	0.4
457.18579	9.5
457.29434	0.9
457.37033	1.2
458.18936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	7.7
55.05505	9.1
57.03434	10.3
58.06598	1.5
61.02917	5.7
65.03924	1.3
67.05501	30.2
69.03425	16.1
69.07062	86.0
69.59826	3.5
69.60231	7.7
70.06591	8.3
71.01349	4.9
71.04979	4.6
72.08147	19.1
73.02908	36.1
74.06055	1.9
79.05482	1.7
81.03402	6.1
81.07038	5.8
83.04998	1.8
83.08613	4.9
84.08136	4.2
85.02411	2.4
85.02898	27.7
85.06528	5.8
86.06071	1.5
86.09692	8.8
87.04456	6.3
89.10788	1.4
91.05484	3.8
95.04967	2.1
95.08567	1.9
97.02885	34.6
98.06046	1.7
98.09710	2.3
98.20782	2.5
99.04425	2.3
103.03947	2.7
103.05457	1.3
107.04894	1.5
109.02863	2.7
109.10144	60.1
110.02377	2.9
110.07175	1.9
110.10473	1.5
111.10928	2.1
111.11710	43.8
112.07602	2.2
114.10359	1.6
115.03913	20.7
116.07014	1.6
116.98584	1.4
118.06533	2.5
119.04943	4.5
119.07299	18.4
121.02881	3.3
122.06039	1.7
123.04417	1.3
125.02352	9.6
127.03916	10.0
127.11179	23.6
129.10196	1.8
130.06444	1.5
133.04953	58.5
134.05995	5.0
135.06799	2.7
137.05951	1.9
143.03377	1.8
145.04964	3.5
147.04396	19.2
148.04825	2.4
148.07500	1.4
150.05452	1.4
152.07060	2.7
153.01926	1.6
163.03922	3.0
163.06065	1.3
164.07198	1.3
167.06993	1.4
177.05490	3.6
179.05489	100.0
218.11897	3.1
235.14444	1.8
237.09229	1.7
243.15921	3.0
252.10132	3.8
254.11702	5.2
256.09814	2.4
259.08197	2.6
269.12802	12.1
275.07651	1.8
287.27753	1.4
295.06033	1.4
298.10867	2.5
307.05969	2.9
311.09860	2.1
315.13348	30.7
325.07050	5.4
337.06973	2.4
379.07886	4.0
383.19797	1.9
421.09521	1.4
428.21768	10.0
439.10147	3.5
439.18616	5.0
456.13998	2.0
456.21515	5.8
456.27982	1.6
457.11655	6.5
457.20755	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	456.2126
Annotation	Renieramide
Peak:m/z	Relative Intensity
55.01863	1.3
55.05495	0.9
67.05496	1.5
69.03423	0.5
69.07059	6.2
69.45121	4.2
70.06559	1.5
72.08144	1.7
79.05493	0.8
81.07056	1.5
82.06591	0.5
84.08126	0.8
85.02904	0.7
86.09689	0.9
91.05465	1.3
93.07027	0.9
94.06570	0.8
95.04974	0.5
95.08576	2.6
97.02869	0.5
97.06511	0.9
105.07021	0.7
106.06531	0.5
107.04972	0.7
108.04465	0.7
108.08109	1.2
109.06502	2.2
110.06011	0.7
111.08070	0.5
112.07558	0.8
112.13886	0.4
119.04961	1.2
119.08588	0.6
120.08105	2.5
121.02926	0.5
121.06472	0.6
122.06016	0.8
122.09670	0.9
126.09162	0.7
127.03889	1.0
134.05988	0.7
135.04424	1.0
135.11674	0.4
136.07558	1.5
140.07053	11.6
140.08076	0.8
146.06017	0.6
147.04405	1.9
147.08096	0.4
148.07538	3.6
150.09152	0.5
152.07011	0.6
154.08594	1.7
160.07480	1.0
164.07149	0.5
164.10690	2.3
167.07074	0.8
168.06616	2.3
170.09671	0.8
173.07060	0.6
174.09128	1.1
175.03999	0.4
175.08708	0.5
178.08621	1.2
185.07109	0.6
185.10709	1.4
187.08653	0.7
188.10568	0.4
192.10182	4.6
194.08150	1.0
199.08575	2.2
199.12332	0.6
200.09267	0.8
201.10222	2.0
205.09660	0.6
207.06531	0.7
211.12361	0.9
212.09395	0.7
213.10141	2.5
214.10826	0.7
215.08209	0.7
215.11720	2.6
225.10135	2.3
226.08696	0.7
227.08128	1.0
227.11819	3.9
229.09726	1.2
229.13348	1.0
231.11292	0.5
239.11726	0.6
240.12483	0.5
241.09636	1.8
241.13358	1.9
242.10504	1.7
243.11211	1.4
251.11668	0.9
252.10202	0.7
255.11273	11.2
257.12900	0.9
259.14441	1.7
265.11826	6.5
269.12860	3.8
273.12329	1.2
275.13849	1.5
279.11075	0.6
283.10800	1.4
285.12347	0.6
287.13864	13.5
288.14331	0.6
289.15469	2.0
293.15894	0.6
294.15985	0.5
297.12320	5.1
298.13049	1.2
299.13800	0.6
301.11771	4.6
302.12570	1.3
303.13315	3.6
307.14441	0.5
311.13916	1.7
315.13358	47.3
316.14017	1.8
317.14792	5.5
355.16541	0.8
383.15668	1.1
383.19821	0.7
411.19135	2.3
428.21964	2.7
438.20285	4.6
456.21280	100.0
457.21527	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	456.2126
Annotation	Renieramide
Peak:m/z	Relative Intensity
53.00282	0.2
55.01869	1.9
55.05504	0.4
57.03432	0.3
65.60057	0.1
66.38348	0.2
67.05486	0.7
69.03427	0.5
69.07059	1.7
69.81345	0.4
69.81769	0.8
69.83605	0.2
70.06589	1.2
71.04985	0.4
72.08147	2.3
73.02901	0.2
79.05490	0.5
81.03397	0.2
81.07032	0.7
83.04994	0.3
84.08130	0.5
85.02884	1.1
86.06049	0.2
86.09695	0.7
91.05472	0.9
93.07027	0.7
94.06556	0.4
95.04957	0.5
95.08608	1.5
96.04488	0.2
96.08909	0.2
97.02869	0.5
97.06513	0.4
98.06028	0.4
98.09681	0.3
99.09174	0.2
102.25560	0.2
105.07011	0.6
107.04987	0.3
107.08575	0.8
108.04476	0.6
108.71246	0.2
109.02869	0.3
109.06483	0.3
109.10157	0.5
110.02410	1.0
111.02714	0.3
112.07617	0.5
119.04911	1.0
119.08566	0.7
120.08091	0.4
120.08849	0.2
121.02834	0.3
121.10107	0.5
122.06041	0.2
123.11723	0.2
127.03916	0.7
129.10214	0.3
131.08510	0.3
133.10106	0.5
135.11726	0.3
138.09178	0.3
140.07059	2.5
143.08502	0.2
145.02812	0.2
145.10097	0.3
146.06001	0.4
147.04387	2.7
147.11700	0.2
148.07555	2.5
148.11948	0.2
152.05643	0.5
152.07027	0.4
160.07526	0.3
161.13176	0.2
163.03903	0.2
164.07053	0.2
164.10674	0.9
167.06992	0.4
168.06535	2.6
169.09769	0.2
173.07095	0.4
174.05518	0.7
174.09229	0.3
175.14897	0.2
177.05411	0.3
187.03888	0.2
187.14871	0.2
191.17917	0.7
192.10138	1.3
192.18257	0.6
198.09151	0.7
199.08679	2.7
199.12236	0.3
201.16344	0.5
202.08556	0.3
202.16805	0.2
207.06458	0.4
210.09174	0.5
212.09438	0.5
213.10165	0.7
214.11014	0.7
215.11884	0.9
218.11700	0.3
224.10724	0.5
225.10193	3.1
226.08719	1.4
227.08218	1.4
227.11743	1.6
237.10234	0.3
238.08545	0.2
241.09659	0.5
241.13350	0.4
242.10524	0.6
243.11302	0.9
251.11783	0.3
252.10161	0.9
253.09993	0.2
254.10408	0.2
255.11272	12.8
256.11609	0.4
265.11774	2.2
269.12814	4.0
269.15543	0.3
287.13748	0.5
295.06161	0.4
297.12314	5.1
315.13348	100.0
316.13730	2.6
325.06964	0.4
337.07254	0.2
381.16165	0.2
447.67984	0.3
456.21558	3.0
456.35370	0.3
457.11783	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	456.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01868	1.7
55.05498	2.3
56.96554	0.9
57.03433	7.7
57.07067	3.6
59.05009	1.0
59.06118	9.7
60.04516	0.9
61.02917	3.2
61.09789	0.8
67.05502	6.5
69.03415	6.1
69.07039	1.0
70.06589	8.3
71.04987	57.3
71.61578	1.4
72.08149	11.5
73.02910	2.6
75.04480	2.6
81.03408	4.0
81.07043	0.7
82.06575	1.1
83.04968	7.1
83.67813	0.7
84.08144	5.2
85.02898	93.6
85.06544	2.4
86.03217	0.8
86.06065	1.1
86.09666	1.1
87.04469	2.5
88.77090	0.7
89.10760	1.5
91.03944	1.9
91.05462	1.9
95.04964	11.9
96.08104	1.5
97.02896	8.6
98.06040	1.7
98.09690	33.2
98.10337	1.6
98.97613	0.9
99.04448	3.4
101.06033	0.9
103.03937	0.8
107.04952	1.7
109.02863	4.3
110.02410	1.9
110.07118	1.0
111.04453	12.8
112.07602	2.6
113.05999	32.8
116.98577	1.5
119.04950	2.1
121.02861	1.1
123.04433	0.9
127.03915	10.9
127.11255	1.3
129.05467	29.6
131.07034	100.0
135.04469	1.2
137.05956	1.1
138.05501	2.9
138.09143	1.1
140.07101	2.2
145.04953	12.8
146.08151	1.6
147.04413	10.7
147.06491	15.3
148.04759	1.2
148.07599	1.1
149.05983	1.0
149.08098	1.2
152.07088	1.6
156.10199	1.1
158.11771	1.9
159.06506	1.2
163.03922	4.1
163.06030	5.6
164.04218	1.9
164.07188	0.7
164.09189	3.3
167.06984	1.2
177.05513	1.4
193.68719	0.7
218.11783	1.2
234.98967	1.2
235.14401	1.9
237.02805	2.1
237.07501	1.5
245.10257	1.0
255.08691	1.5
273.09641	1.1
277.12918	1.6
293.12274	15.1
293.15512	0.8
309.11914	1.7
312.08575	2.4
325.07147	1.1
327.09064	1.9
336.09692	1.2
351.44739	0.8
366.17737	0.7
385.50757	0.8
407.96323	0.9
438.17551	2.9
456.11902	10.1
456.18704	19.4
457.12320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.36108	0.9
53.93333	0.9
55.05508	13.8
57.03430	1.4
57.07059	3.9
67.05505	15.8
69.03416	3.8
69.06718	1.5
69.07069	16.6
69.43635	8.2
70.49757	1.0
71.04973	2.4
72.08149	1.2
79.05499	9.7
79.07013	1.1
81.07055	43.0
83.08611	8.6
85.02882	2.4
85.06524	1.8
91.05476	14.3
93.07040	30.8
95.04945	3.3
95.08604	57.7
97.02882	2.2
97.06487	1.6
97.10160	4.5
105.07027	39.2
107.07858	2.7
107.08588	42.0
109.02847	1.3
109.06496	3.0
109.10149	38.3
111.08070	2.2
111.11745	1.7
117.06988	6.4
119.04967	1.7
119.08575	39.9
121.06509	1.6
121.09296	2.2
121.10138	36.1
123.08054	2.8
123.11699	14.8
125.09657	1.4
127.03914	4.5
128.06256	2.2
129.06998	1.4
130.07771	1.4
131.08554	17.5
133.10130	32.2
135.08046	2.6
135.11685	32.2
137.05977	1.9
137.09579	1.9
137.13289	6.8
143.08522	4.5
145.10123	38.1
147.04373	3.3
147.11681	28.3
149.05943	1.4
149.09668	1.3
149.13261	19.9
151.07570	2.0
155.08418	1.3
157.10120	6.3
159.11681	27.5
161.13272	23.7
163.07535	2.5
163.11142	1.1
163.14804	10.0
165.12790	2.2
167.07028	3.9
169.08609	1.5
169.10071	1.6
171.11667	3.9
173.09660	1.2
173.13254	11.8
175.03838	1.4
175.14816	25.3
177.09167	1.6
177.16362	7.0
179.14270	2.7
183.11624	1.3
185.13252	3.2
187.14807	18.7
189.09108	2.1
189.16374	32.3
191.10680	1.5
191.14297	4.3
191.17941	100.0
192.18251	1.8
193.15919	3.7
199.14853	6.2
201.16383	30.8
202.16841	1.5
203.14342	2.8
203.17946	37.5
205.12234	1.3
205.15883	19.2
205.19476	16.0
207.06439	1.4
207.17451	2.8
213.16428	3.3
215.17946	2.6
217.15961	6.1
217.19496	10.6
219.13988	2.0
219.17422	48.2
221.15364	3.9
221.18977	1.2
229.15855	2.1
231.17508	2.3
231.21069	4.3
233.15387	8.3
235.16914	7.4
239.18089	1.2
245.15318	2.8
245.22621	3.8
247.16908	15.5
263.16125	1.4
269.22687	2.1
275.20087	1.4
292.42902	1.2
295.05960	4.0
361.10629	1.4
365.10211	2.3
391.33441	2.7
401.26279	1.7
409.34616	19.8
419.27780	1.9
425.33963	2.3
437.34171	8.0
455.17117	1.5
455.28870	2.0
455.35266	35.8
455.44537	1.4
456.35709	2.9
481.46109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
51.00377	0.5
51.34046	0.5
51.72394	0.6
55.05545	1.1
55.22092	0.5
57.03464	0.6
57.07106	0.8
67.05560	2.0
69.07060	4.2
69.82294	2.1
69.82711	1.5
79.05560	2.1
81.07040	4.9
82.03269	0.6
83.08650	1.1
91.05550	1.9
92.94648	0.6
93.07024	3.1
95.05089	0.7
95.08598	9.6
97.10240	0.7
100.78806	0.7
104.90937	0.6
105.07018	3.6
107.08587	4.9
109.06583	1.1
109.10142	4.7
111.11812	1.0
117.07139	0.6
117.11458	0.6
119.08557	4.1
121.10111	3.7
123.08147	0.6
123.11822	2.1
123.17017	0.6
124.99979	0.6
131.08655	2.2
133.10136	5.5
135.08157	2.1
135.11671	2.9
137.09720	1.1
137.13344	2.4
143.08635	1.7
145.10139	3.5
147.08151	1.9
147.11641	3.4
149.09772	0.9
149.13376	1.8
155.08754	0.6
157.10193	2.1
158.11086	0.8
159.11674	3.4
161.09714	1.9
161.13255	1.2
163.11275	1.6
169.10187	0.8
171.11827	1.4
173.13220	3.3
175.11255	1.2
175.14900	0.8
185.13336	1.1
187.11287	0.8
187.14818	3.0
187.45578	0.6
189.12766	0.6
189.16501	1.8
191.14381	1.6
191.18109	0.6
197.13353	1.4
199.14948	2.5
201.16423	0.7
203.18044	1.4
207.17496	0.5
209.13326	0.8
209.55638	0.6
211.14906	1.4
213.12711	1.1
213.16441	0.9
215.14427	0.9
215.18069	0.8
217.15828	5.8
219.13913	2.4
225.16489	1.3
227.17995	1.0
231.17569	0.7
232.74370	0.6
233.15442	0.9
237.16365	0.7
239.18156	0.6
248.15878	1.0
263.18079	1.6
266.16885	0.7
269.15417	1.2
281.19089	1.9
299.20090	1.1
351.25989	0.7
367.30005	0.9
401.32028	1.6
407.33237	0.8
419.32983	3.9
425.33978	0.8
437.34116	100.0
438.34473	4.7
451.18170	0.7
455.35123	32.6
456.35303	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	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35073	1.3
53.03953	3.8
55.01894	1.7
55.05503	12.2
57.03431	3.3
57.07080	6.6
63.39071	1.3
65.03922	2.1
67.05497	21.1
69.03417	6.3
69.07069	19.0
69.40137	13.8
70.06589	5.1
71.04976	3.3
71.08624	1.8
72.08138	6.4
77.03912	1.5
79.05490	13.6
81.03412	6.1
81.07049	49.8
82.07372	1.2
83.04964	4.1
83.08596	7.4
84.08153	4.0
85.02888	6.9
85.06548	6.8
86.09718	3.5
87.04426	1.5
89.06037	1.7
91.05470	26.7
93.07037	38.6
94.04858	1.3
94.65890	1.3
95.04974	5.3
95.08598	71.6
97.02897	7.8
97.06517	4.6
97.10164	5.6
98.03277	1.7
99.04444	3.7
99.08096	1.6
100.04855	1.3
103.03903	2.1
103.05424	2.3
105.07021	41.6
107.04955	3.7
107.08586	46.3
109.02861	4.5
109.06511	3.7
109.10146	46.9
110.02361	2.1
111.04427	1.4
111.08072	3.0
111.11715	1.6
114.10242	1.5
115.03970	2.0
117.06981	8.1
119.04960	11.2
119.08569	50.5
120.05251	2.7
121.02872	2.2
121.05659	1.9
121.06517	4.1
121.10129	42.4
122.10484	1.7
123.04414	4.2
123.08068	3.9
123.11691	18.0
124.07585	1.6
125.05942	2.9
125.09618	3.2
127.03918	10.6
128.04259	1.4
128.06163	1.8
129.06990	2.5
131.08562	24.3
133.06509	1.7
133.10120	37.1
133.11076	2.6
135.08049	4.5
135.11676	33.5
137.05969	1.7
137.09590	4.7
137.13254	5.9
139.07549	2.0
140.98721	1.7
141.07079	1.4
142.15112	1.4
143.08578	7.6
144.09248	1.6
145.06523	1.7
145.10097	38.0
147.04401	46.7
147.08109	1.7
147.11681	28.3
147.38676	1.5
148.04733	17.9
149.04944	9.1
149.06038	2.1
149.09679	3.3
149.13235	19.9
151.03847	2.7
151.07529	3.6
151.11128	2.4
155.06949	1.3
155.08607	2.8
157.10097	7.0
159.11682	35.1
159.13007	1.7
161.06065	1.5
161.09622	3.0
161.13248	26.6
163.03888	2.2
163.07561	2.9
163.11156	3.8
163.14795	16.9
164.34161	1.3
165.05490	1.6
165.09103	5.1
165.12724	2.4
167.07007	4.8
169.08667	3.3
169.09999	2.1
171.11679	6.5
173.13260	14.4
175.03818	2.9
175.07561	2.4
175.11214	1.9
175.14806	25.0
177.05417	2.5
177.12776	1.6
177.16383	8.8
179.14259	3.7
181.08568	1.6
183.11661	2.5
184.38818	1.4
185.09521	1.7
185.13280	5.0
187.11186	1.8
187.14810	24.0
188.15617	1.6
189.12787	2.5
189.16367	39.2
191.10793	2.0
191.14371	4.4
191.17929	100.0
193.15923	4.0
195.06653	1.4
199.09631	2.3
199.14751	7.1
201.16367	39.5
203.14334	3.2
203.17950	30.9
205.15898	17.5
205.19539	12.5
207.06476	6.9
207.13737	2.8
207.17406	2.8
213.16388	1.6
215.17957	3.6
217.15930	5.5
217.19496	15.6
219.14030	3.0
219.17424	52.7
221.15422	2.8
221.18996	1.8
227.17873	4.4
229.15848	3.6
229.19530	4.7
231.17529	2.3
231.21074	2.5
233.15341	6.9
235.16920	6.0
243.21043	3.0
245.19077	1.8
245.22562	2.4
247.16855	17.5
247.20644	2.9
257.19031	2.2
259.20566	1.9
339.08560	2.4
391.33694	4.5
397.34567	3.3
409.34598	20.6
419.32864	2.1
425.34280	2.2
427.35645	3.4
437.28836	2.3
437.34250	8.4
438.16327	1.3
455.17169	2.7
455.22089	7.8
455.35196	40.5
456.16272	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Krukovine A
Peak:m/z	Relative Intensity
53.03930	2.5
53.86440	1.5
55.01857	2.2
55.05505	14.1
57.03413	4.1
57.07066	4.0
59.04973	2.0
64.39716	1.4
65.03935	1.4
67.05498	25.3
69.03426	7.5
69.07063	21.8
69.42315	9.3
69.42741	6.2
71.04977	4.9
72.08118	1.7
79.05486	18.4
81.03417	5.4
81.07053	54.0
81.72440	1.6
83.04975	6.2
83.08603	7.9
84.08208	1.8
85.02894	7.8
85.06532	6.9
91.05470	21.5
93.07039	40.8
95.04976	8.5
95.08603	82.5
97.02885	6.9
97.06507	5.9
97.10164	5.0
98.20751	2.4
99.04469	2.4
99.08092	4.0
105.07024	47.3
106.23988	1.6
107.04974	3.0
107.08585	60.4
109.02863	3.8
109.06522	8.8
109.10147	39.3
111.04425	2.8
111.08091	9.5
111.11709	3.3
115.03938	1.6
117.07014	6.2
119.04932	4.0
119.08572	59.0
120.41572	1.5
121.02840	2.3
121.06503	4.8
121.10140	41.6
123.04436	9.9
123.08073	7.4
123.11708	18.0
125.06023	4.6
125.09622	3.3
127.03928	7.8
127.11214	2.2
128.06213	2.0
129.06984	4.4
131.04980	3.5
131.08559	22.4
133.06537	2.7
133.10118	36.9
135.04550	1.8
135.08066	4.7
135.11678	25.6
137.05971	3.4
137.09639	6.5
137.13225	8.8
139.03845	1.8
139.11188	3.2
141.07010	1.7
142.07793	1.9
143.08578	10.6
144.09328	2.6
145.06480	1.8
145.10115	34.7
147.04414	5.5
147.08054	4.8
147.11681	28.7
149.05940	2.9
149.09616	4.4
149.13251	20.5
151.03923	3.3
151.07559	4.4
151.11200	3.5
153.05472	2.1
153.12773	1.7
155.08563	4.8
156.09375	2.5
157.06456	1.9
157.10110	15.7
159.11684	26.6
161.09621	5.3
161.13257	22.8
163.11200	4.7
163.14819	12.5
165.09126	4.7
165.12769	2.5
167.07074	4.5
169.10173	7.2
171.11691	15.2
173.09558	3.3
173.13271	20.1
175.07590	1.9
175.11197	4.8
175.14798	14.0
175.60132	1.7
177.05493	4.0
177.09152	2.3
177.12755	4.2
177.16396	13.7
179.14331	3.6
181.10066	2.9
183.11679	8.9
185.09694	1.5
185.13237	9.9
187.14803	15.1
189.12778	6.2
189.16362	23.8
191.10645	2.8
191.14317	5.0
191.17955	19.5
193.08545	1.6
193.10338	1.7
193.12321	5.3
193.15848	4.3
195.11734	3.1
195.13837	4.0
197.13315	7.7
199.14821	9.6
201.12729	3.0
201.16383	15.3
203.10735	1.8
203.14336	6.1
203.17960	15.1
205.12268	2.6
205.15948	6.2
205.19591	1.9
207.06577	4.7
207.10205	2.8
207.13863	1.9
207.17393	10.9
209.13321	3.0
211.14903	3.9
213.16348	9.7
215.14352	4.5
215.17993	9.8
217.15935	5.0
217.19536	3.2
219.13821	11.6
219.17448	4.5
221.15410	1.7
221.19022	2.3
225.16467	2.4
227.17932	2.8
229.08737	1.8
229.15862	4.6
229.19604	3.7
231.06544	1.8
231.13829	2.2
231.17477	6.1
233.15414	3.3
233.19041	2.9
235.17027	4.0
237.16443	3.0
239.17896	2.4
241.16190	1.8
241.19447	3.5
243.17735	1.9
243.20981	2.9
247.17000	6.5
253.19551	2.7
255.21095	2.8
257.19272	2.0
259.17023	3.4
261.18469	2.7
267.21039	2.4
269.22610	3.0
275.20023	4.4
281.19153	1.9
283.20578	2.0
285.21988	2.4
287.20203	2.7
289.21753	3.8
295.06119	1.8
295.23969	1.8
301.21466	2.4
311.05524	3.0
313.25177	2.0
325.07205	4.3
349.10834	1.8
365.10184	8.1
379.12030	3.0
407.33191	4.5
409.34772	8.0
419.14893	7.7
419.33044	9.5
425.34097	7.4
437.16110	6.2
437.34222	37.6
455.17593	15.2
455.29819	4.1
455.35260	100.0
456.17258	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
57.07073	1.8
59.05001	13.0
67.05500	8.8
69.07061	11.2
69.70156	0.8
70.79572	1.4
70.79934	1.9
71.04974	1.5
79.05489	7.7
81.03400	1.0
81.07050	19.5
83.08616	3.7
85.02903	1.6
85.06496	1.1
91.05455	7.8
93.03422	1.0
93.07031	18.1
95.04967	1.6
95.08599	34.0
97.06537	1.4
97.10131	2.3
105.07021	16.8
107.04945	1.4
107.08591	30.9
109.06533	1.6
109.10149	19.4
111.08077	3.1
111.11693	1.0
115.05478	1.1
117.06985	2.4
119.08568	32.5
121.10133	19.9
123.04395	1.0
123.08074	1.1
123.11695	8.3
125.09591	2.2
129.06975	1.7
131.08549	7.6
133.10121	20.7
135.04416	2.6
135.11688	15.9
137.02347	1.1
137.13232	1.7
143.08559	2.5
145.10112	21.6
147.04399	2.4
147.08035	3.1
147.10515	1.1
147.11665	20.5
149.09602	1.7
149.13240	9.0
151.03922	0.9
151.11185	1.7
153.09062	0.9
157.06506	0.9
157.10159	3.0
159.11682	18.5
160.12473	1.5
161.02283	1.3
161.13251	17.7
163.03867	2.8
163.14812	10.1
165.12819	1.4
167.07077	1.0
169.10011	0.9
171.11674	3.7
172.12462	1.1
173.09518	1.0
173.13237	16.4
175.07568	3.4
175.11140	1.2
175.14815	9.7
177.01817	1.2
177.16406	4.3
179.14278	1.0
185.13245	4.8
187.14815	18.6
189.01830	9.3
189.16376	22.8
191.14351	2.0
191.16322	1.5
191.17924	10.1
193.12260	3.3
197.13263	1.2
199.14819	3.6
201.05608	1.0
201.16376	20.0
203.17947	15.7
205.12251	1.9
205.15848	2.6
207.02888	8.4
207.13789	9.1
207.17410	3.4
213.16321	3.0
215.17963	5.0
217.15814	1.2
217.19521	2.9
219.13814	12.4
219.17261	1.2
221.15294	2.7
221.18974	2.2
227.17894	1.7
229.15846	1.1
229.19455	6.7
231.13857	1.7
231.21066	2.2
233.15372	6.6
235.16916	3.5
241.19504	2.1
243.06584	1.7
243.21071	2.0
245.15375	1.7
247.16924	18.7
255.21043	1.9
256.64850	0.9
257.22891	1.0
261.18338	1.0
265.05057	1.1
267.06406	1.2
269.22659	1.5
275.20175	1.9
283.24081	0.9
285.03931	2.4
287.20102	7.9
289.21548	1.1
291.42740	0.8
295.06161	2.0
301.21707	1.9
302.44876	0.9
305.04477	2.6
309.11090	2.1
311.05426	12.3
315.04855	5.9
315.26794	1.1
321.07251	0.9
323.05475	19.4
324.05859	2.2
333.11111	0.9
337.10663	1.0
339.09000	1.0
349.10559	1.9
353.10095	1.1
361.10803	1.5
363.08530	1.1
365.10110	1.5
379.11737	100.0
380.12045	14.8
381.09564	2.0
391.33582	2.8
399.10452	7.1
409.34647	10.7
419.14777	3.2
437.15433	2.1
437.34116	27.9
438.34552	1.1
450.27933	1.0
455.16782	2.9
455.35565	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01856	1.7
55.05506	13.0
57.03426	2.3
57.07058	5.5
65.03915	1.6
67.05497	21.1
69.03413	5.4
69.06715	1.7
69.07059	21.6
70.17632	5.1
70.35310	1.2
71.04978	3.4
71.08614	1.3
72.08150	2.7
73.02898	1.4
73.31570	1.3
79.05484	12.8
81.03429	6.2
81.07049	50.2
81.71711	1.2
83.04973	6.3
83.08610	9.5
84.04464	1.7
84.08131	2.5
85.02894	3.5
85.06529	4.5
86.02573	1.2
91.05472	19.4
93.07032	36.7
95.04960	5.1
95.08598	69.1
96.08939	2.7
97.02892	6.8
97.06522	3.0
97.10181	6.2
99.04453	3.7
99.08068	1.7
103.05465	1.3
105.07021	45.6
107.04951	2.9
107.08582	47.0
109.02869	1.3
109.06512	4.2
109.10146	46.8
111.08078	4.6
111.11703	2.5
113.09644	1.1
115.03937	1.4
117.06994	7.6
119.04930	2.9
119.08570	52.0
120.08112	1.6
121.02863	2.5
121.06496	4.3
121.10130	46.0
123.04418	3.8
123.08059	5.3
123.11700	17.5
125.05950	2.9
127.03886	3.8
127.11197	1.4
129.06993	1.5
131.04936	1.5
131.08553	22.1
133.10117	41.5
135.04416	1.5
135.08049	3.1
135.11676	26.6
137.05960	2.6
137.09575	4.2
137.13229	7.8
139.07611	1.7
139.11172	2.6
142.07796	1.6
143.08562	5.8
144.09247	1.4
145.10124	40.6
145.11279	2.5
147.04411	6.3
147.08049	2.1
147.11668	30.8
149.02338	2.5
149.09589	3.5
149.13246	19.2
151.07500	2.4
155.08542	1.8
156.09338	1.6
157.10138	8.2
159.11676	34.4
160.12288	1.4
161.09654	1.8
161.13239	24.3
163.07480	1.3
163.11169	3.5
163.14790	12.3
165.09129	4.4
165.12712	1.7
167.07103	6.1
169.08566	2.3
169.10077	1.9
171.11703	4.0
172.12480	1.3
173.05762	1.3
173.09589	2.5
173.13264	15.6
175.11163	2.1
175.14804	26.0
177.05473	2.2
177.12758	2.3
177.16397	9.5
179.14336	4.1
183.11719	2.7
185.13252	4.3
187.11134	1.6
187.14798	21.7
189.09164	1.6
189.12718	2.6
189.16365	40.1
191.10645	1.9
191.17928	100.0
192.18298	1.6
193.05006	1.7
193.15871	4.3
197.13275	1.4
199.14871	6.6
201.05550	1.4
201.12691	1.5
201.16367	37.5
203.14488	2.2
203.17944	34.4
205.12161	1.5
205.15877	20.0
205.19498	12.5
207.13820	1.7
207.17453	4.7
211.14850	2.0
213.16429	4.5
215.17958	5.3
217.15848	5.1
217.19495	10.8
219.14076	2.5
219.17421	51.2
221.15207	2.2
221.18962	2.3
225.16335	1.4
229.15874	1.5
229.19582	3.3
231.17419	3.0
231.21132	3.2
233.15425	6.6
233.19067	2.3
235.16891	6.7
245.22809	3.2
247.16919	18.5
249.18462	2.5
257.18930	1.8
257.22708	2.3
261.18414	1.9
295.06009	1.6
299.05414	2.5
305.07840	1.6
307.05484	1.3
308.06766	1.4
309.07367	1.4
311.05475	1.7
325.07059	6.8
337.06943	2.7
345.24985	1.3
349.10757	1.7
351.08533	2.2
351.26437	1.4
353.10159	3.1
361.10666	2.3
361.15338	1.4
365.10156	2.6
381.13651	1.7
391.33542	3.9
399.10754	2.4
409.34592	24.3
410.35004	2.4
419.14862	3.6
419.27798	1.9
419.32791	2.8
437.16257	11.9
437.29474	1.5
437.34158	13.3
438.16577	1.6
455.17313	7.5
455.28281	7.6
455.35150	42.7
456.16833	3.6
456.27994	1.9
456.35477	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	455.3518
Annotation	Embelinone
Peak:m/z	Relative Intensity
51.72211	0.3
52.19062	0.4
55.05509	2.2
56.82891	0.4
57.07072	1.0
64.78753	0.4
67.05498	3.4
69.03414	0.5
69.07064	5.4
70.00506	2.0
71.05001	0.6
79.05493	2.1
81.07050	8.8
81.07507	0.6
83.04973	3.6
83.08619	2.3
85.06545	0.8
88.61525	0.4
91.05471	3.3
93.07042	7.1
95.04974	1.5
95.08602	13.8
97.06534	1.3
97.10168	1.3
99.08113	0.5
105.07023	7.8
107.04957	0.5
107.08590	12.3
107.62676	0.4
109.06512	1.3
109.10152	8.2
111.08085	1.6
111.11732	0.5
117.07037	1.1
119.08582	9.8
119.09456	0.6
121.06498	1.0
121.10135	9.2
123.08074	1.7
123.11700	3.7
125.09635	1.1
129.06950	0.4
131.08583	2.8
133.10126	6.8
135.08055	2.1
135.11682	8.7
137.09639	1.2
137.13239	1.4
139.07532	0.6
139.11172	1.2
142.07794	0.5
143.08551	1.9
145.10120	5.2
147.08118	1.0
147.11670	5.3
149.09602	2.8
149.13239	2.9
151.11206	0.8
155.08553	0.8
157.10118	2.3
159.08047	1.1
159.11652	4.2
161.09630	2.3
161.13237	3.7
163.11191	1.5
163.14859	1.5
169.10185	1.4
171.11700	2.3
173.09593	0.9
173.13246	3.6
175.11266	1.4
175.14828	5.6
177.09238	0.6
177.12805	1.0
177.16389	3.9
179.10892	0.4
179.14297	1.0
181.12309	0.4
183.11768	0.8
185.13240	2.2
187.11179	0.7
187.14799	3.0
189.12782	1.0
189.16365	7.1
191.14328	1.2
191.17928	3.2
196.22731	0.4
197.13290	1.0
199.14832	1.4
201.12712	0.7
201.16327	4.2
203.14362	1.2
203.18080	1.4
205.15848	2.5
207.17407	3.2
209.13275	0.5
211.14893	0.8
213.16400	1.5
215.14438	1.0
215.17961	1.5
217.15804	2.3
217.19574	0.5
219.17381	2.3
221.15381	0.9
222.64694	0.4
227.14305	0.4
227.17955	1.0
229.15887	1.5
229.19592	0.7
231.17517	1.0
233.15349	1.1
235.16927	1.4
237.16507	0.5
239.18071	0.7
241.15933	0.5
241.19623	0.4
243.17519	1.6
243.21300	0.5
247.16942	1.7
253.19574	0.4
255.21132	1.1
257.19098	0.7
267.21194	0.5
269.19031	0.7
273.22098	0.8
283.20761	0.9
285.22211	0.7
297.22092	0.4
301.21579	1.7
315.23367	0.5
391.33948	0.8
393.05069	0.4
409.30179	0.5
409.35287	0.7
411.32431	0.5
419.33334	1.9
427.35968	1.6
437.34601	5.3
455.35300	100.0
456.35834	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	455.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16543	1.9
55.05507	14.9
57.03425	2.7
57.07064	5.8
65.03929	3.2
67.05502	25.7
69.03426	3.3
69.07056	25.9
70.68690	6.3
71.04998	3.1
77.03924	2.2
79.05476	19.9
81.06569	4.2
81.07048	59.8
83.04947	2.0
83.08626	10.4
85.02892	7.5
86.31713	1.9
91.05468	23.6
93.07040	46.0
95.04964	5.7
95.08601	99.8
97.02871	5.3
97.06562	2.5
97.10146	6.4
101.15959	1.7
105.07014	50.6
107.08587	85.3
109.06500	4.4
109.10147	54.6
111.08068	7.2
111.11676	3.1
115.03967	3.2
117.07016	4.6
119.08573	81.5
121.10131	56.6
123.08051	4.4
123.11693	28.3
125.09624	3.1
131.08548	22.4
133.10121	61.0
135.11676	39.8
137.13223	8.2
139.07510	2.8
141.01802	3.7
142.07779	2.5
143.08537	6.6
144.09317	3.1
145.10115	63.0
145.11273	3.2
147.11674	67.6
149.13231	21.2
151.11177	6.5
152.94577	1.8
153.09117	2.2
157.10095	10.0
158.10938	4.4
159.11671	58.8
161.13239	61.8
163.11143	3.2
163.14803	21.8
165.12762	4.6
171.11671	9.6
172.12540	2.9
173.13254	55.4
175.07559	5.3
175.14833	30.9
177.16389	14.5
179.10692	2.5
179.14319	6.7
183.11699	3.2
185.13226	15.4
187.14795	61.0
189.16367	66.5
191.14386	3.0
191.17934	27.7
193.12262	7.6
197.13277	3.6
199.14809	13.5
201.16348	63.0
203.17944	53.4
205.12216	9.1
205.19539	3.4
207.13786	31.6
207.17412	8.9
211.14778	3.4
213.16399	9.0
215.17908	18.1
217.12263	5.2
217.15939	2.8
217.19539	9.0
219.13782	43.6
219.17365	4.3
221.15395	10.5
221.19000	8.8
227.17926	5.1
229.15936	3.2
229.19580	15.6
231.13753	6.7
231.21150	12.1
233.15392	23.6
235.16962	10.9
241.19540	9.9
243.21056	3.3
244.49757	2.2
245.13022	2.2
245.15413	6.3
245.22623	3.3
247.16908	65.2
249.18555	2.7
255.21074	6.2
259.16983	3.6
261.18500	3.1
269.22601	5.1
275.20087	8.9
287.20020	24.9
289.21631	3.3
301.21637	3.4
310.04700	5.2
313.21500	2.5
314.04382	2.2
315.23251	4.6
325.07089	16.2
327.07712	2.2
329.06473	4.2
339.08698	2.0
353.10107	3.8
364.09201	2.6
379.11557	9.6
381.09702	6.7
391.33463	9.2
399.10684	6.6
409.34573	39.7
419.14832	3.1
437.15866	6.5
437.34137	100.0
455.16592	15.5
455.35327	30.6
466.31885	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	CHEBI:69224
Peak:m/z	Relative Intensity
55.05503	9.7
56.92519	3.4
67.05495	11.1
69.07070	22.8
71.04977	10.9
79.05480	4.9
81.07054	32.8
83.08619	7.4
91.05452	7.4
93.07029	18.2
95.08596	60.1
97.10172	5.5
105.07056	16.3
107.08595	24.0
109.06515	3.5
109.10153	26.2
111.11695	11.6
117.06997	3.8
119.08575	33.2
121.10104	28.9
123.08067	3.1
123.11687	13.2
126.86877	3.3
130.72333	2.8
131.07018	5.8
131.08577	3.9
133.10121	21.9
135.07982	3.3
135.11691	21.8
137.09607	4.9
137.13254	14.3
138.25696	3.7
145.10100	11.5
147.11679	11.8
149.13248	12.3
158.10805	3.5
159.11694	11.7
161.13289	10.0
163.14778	8.2
171.11624	7.4
173.13272	12.5
175.04266	3.4
175.14848	11.1
177.16354	4.7
183.10202	18.1
183.11577	4.7
185.13200	4.0
187.14818	8.8
189.16356	5.3
191.14282	6.5
191.17886	8.2
201.16435	5.1
203.17888	7.4
205.19392	4.2
211.13229	5.6
215.18011	7.2
217.19492	6.9
219.13855	3.4
229.19545	9.1
231.21062	14.3
237.14856	13.8
245.22676	6.3
247.29794	3.5
251.16528	6.8
325.28809	26.1
416.41830	3.8
437.34064	48.0
455.35294	100.0
479.34958	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	455.3517
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.01862	0.2
55.05508	0.9
57.07067	0.4
59.42131	0.1
67.05502	1.4
69.07064	2.6
71.04978	0.3
79.05479	0.8
79.72575	0.2
81.07052	3.4
83.04955	0.3
83.08629	0.7
84.01271	0.2
85.06515	0.2
87.04449	0.2
91.05483	0.8
93.07029	1.7
95.04960	0.2
95.08601	6.3
97.06519	0.1
97.10134	0.4
99.08126	0.2
105.07021	1.9
107.08588	3.1
107.09281	0.2
109.06507	1.4
109.10143	2.8
111.08112	0.2
111.11700	0.9
117.07008	0.3
119.08573	3.9
121.06517	0.4
121.10128	3.0
123.08083	0.7
123.11695	1.5
125.09645	0.3
131.08562	2.0
132.01131	0.2
133.10118	3.4
135.08040	1.1
135.11668	2.0
137.09593	0.3
137.13237	1.4
139.11226	0.2
140.94931	0.2
143.08525	0.9
144.09375	0.3
145.10110	3.0
147.08005	0.4
147.11662	1.3
149.05957	0.1
149.09648	0.5
149.13260	0.8
151.11168	0.2
151.14873	0.3
155.08513	0.2
156.09341	0.2
157.10097	1.1
158.10904	0.7
159.11705	1.6
161.09610	1.1
161.13242	1.1
163.11192	0.3
163.14862	0.6
169.10129	0.4
170.10887	0.2
171.08090	0.4
171.11722	1.0
173.09641	0.7
173.13258	8.8
175.11140	0.7
175.14844	0.7
177.12740	0.3
177.16423	0.6
183.11678	0.5
185.09604	0.6
185.13231	1.2
187.11205	0.3
187.14801	2.0
189.12668	0.4
189.16383	1.1
191.14333	0.6
191.17912	1.7
195.11662	0.2
197.13234	0.8
199.11162	0.3
199.14836	0.6
201.12834	0.2
201.16420	0.4
203.14343	0.5
203.17963	0.6
205.15894	0.5
207.11725	0.2
209.13281	0.3
210.13834	0.2
211.14857	0.2
213.12700	0.9
213.16386	0.4
215.14366	1.1
215.17946	0.3
217.15874	0.4
217.19514	0.2
219.17398	0.3
223.14830	0.3
225.12750	0.2
225.16403	0.5
227.14275	1.3
227.17935	0.2
229.15828	0.5
229.43570	0.2
231.13785	0.7
231.17514	0.5
233.15356	3.0
233.18958	0.2
237.16418	0.3
239.14507	0.2
239.17879	0.2
241.15901	0.5
241.19455	0.3
243.17482	0.2
243.21181	0.2
245.18948	0.3
247.20618	0.3
253.19484	0.2
255.17297	0.2
255.21162	0.3
259.20511	0.3
263.18048	0.5
269.22684	0.2
271.20477	0.2
281.18985	0.6
283.17099	0.2
283.20282	0.2
297.22226	0.3
299.19983	0.4
341.28467	0.4
349.25250	0.2
351.26730	0.2
351.30542	0.3
369.31747	0.5
379.29999	0.2
396.35718	0.2
401.31998	0.6
409.30759	0.3
419.33167	2.4
423.40454	0.2
437.34131	14.8
438.34341	0.4
455.35178	100.0
456.29425	0.3
456.35513	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Machaerinic acid lactone
Peak:m/z	Relative Intensity
53.03954	2.7
53.40022	1.2
55.05511	10.3
57.03427	2.5
57.07064	1.5
59.21368	1.2
65.03934	1.8
67.05504	24.6
69.03445	1.7
69.07063	25.6
69.62984	9.6
76.93395	1.1
79.05486	15.3
81.03410	1.5
81.07053	34.1
83.08617	5.9
83.98258	1.2
91.05471	10.9
93.07035	33.1
95.04991	2.5
95.08603	54.4
97.06537	2.2
97.10194	2.8
105.07025	30.7
107.07858	2.7
107.08589	43.7
109.06525	2.8
109.10147	28.2
111.08076	25.0
117.07020	4.0
119.08573	40.9
120.96633	8.6
121.06518	1.1
121.10135	34.1
123.04453	3.1
123.08056	2.7
123.11710	16.2
125.05979	1.8
125.09646	2.2
129.06999	1.5
131.08578	9.3
133.10121	33.8
135.11682	20.3
137.09700	1.3
137.13278	3.6
139.07472	1.7
139.11171	4.6
143.08601	4.6
145.06537	1.4
145.10121	16.9
147.08110	1.5
147.11681	30.5
149.09633	2.9
149.13243	26.9
151.07552	2.3
151.11200	2.2
153.09137	3.1
153.12672	1.7
154.29082	1.3
157.10156	4.1
159.08022	1.6
159.11694	14.9
161.09671	2.6
161.13254	17.8
163.07529	10.0
163.14824	15.8
165.09140	1.8
171.11702	3.1
173.09659	1.6
173.13277	12.0
174.98590	3.0
175.11212	2.2
175.14830	13.4
177.09140	6.0
177.12721	1.2
177.16359	13.4
179.10681	1.9
179.14331	1.5
185.13289	3.9
187.14822	15.6
189.16374	44.7
191.17946	15.1
195.17455	2.0
199.14935	3.3
201.12912	1.5
201.16370	18.6
201.18019	1.9
203.14297	2.1
203.17958	27.2
203.19690	1.7
205.15814	9.5
205.19571	3.5
207.17451	14.1
211.14990	1.9
213.00261	1.7
213.16429	5.6
215.14397	2.5
215.17950	13.1
217.15968	2.6
217.19568	3.7
219.13803	1.3
219.17465	5.1
221.19084	4.7
227.18037	2.3
229.19647	2.7
231.17476	2.4
231.21101	1.8
233.00615	1.2
233.15436	5.3
233.19124	1.6
235.17044	4.4
241.19632	2.0
243.21077	3.9
247.16922	9.0
249.18449	6.1
253.19513	1.5
255.20995	2.2
261.18649	6.1
261.22150	1.7
275.20193	1.6
289.21686	2.4
301.21664	1.6
313.25195	3.0
315.23230	2.9
335.25815	12.4
336.26144	2.1
349.25424	1.8
351.30438	1.7
353.13885	1.8
357.24084	4.5
367.26489	6.2
381.16962	1.3
391.33704	5.3
397.31046	3.4
401.79178	1.3
407.33002	1.5
407.48456	1.5
409.34662	24.3
412.50845	1.4
419.33261	3.1
425.34232	3.8
437.34344	20.5
455.22263	8.8
455.35306	100.0
456.22345	1.5
456.35709	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3517
Annotation	Eucalyptanoic acid
Peak:m/z	Relative Intensity
54.21621	1.1
55.05500	8.5
57.07064	4.0
65.03922	1.3
67.05499	9.2
69.07057	14.3
70.56021	4.5
79.05470	9.4
81.07051	30.1
81.11281	1.2
83.04948	1.6
83.08609	7.2
91.05461	8.6
93.07030	26.6
95.04948	3.1
95.08597	52.1
97.06538	2.1
97.10177	3.2
105.07018	26.0
105.07668	1.9
107.08584	38.7
109.06503	3.8
109.10146	24.6
111.08080	6.2
117.07041	3.7
119.08566	40.3
121.06524	2.2
121.10137	30.1
121.11026	1.8
123.11688	12.8
125.09658	1.3
131.08542	10.3
133.10123	25.9
133.11053	2.1
135.08069	3.5
135.11681	29.8
137.09569	1.5
137.13210	6.3
139.11205	1.7
143.08571	4.2
145.10127	14.3
147.11661	21.0
149.09613	1.7
149.13245	15.3
153.09074	2.1
157.10161	4.8
159.11681	12.6
161.09685	2.4
161.13248	17.1
163.11215	1.9
163.14810	7.6
169.10112	1.9
171.11673	5.2
172.12560	1.3
173.13260	10.1
175.11192	1.9
175.14804	58.9
176.15250	1.7
177.16359	10.7
183.11728	1.6
185.13228	7.6
187.14844	13.5
189.12793	1.6
189.16353	20.1
191.17924	8.6
193.15857	2.9
197.13336	2.3
199.14792	3.0
201.12833	1.4
201.16364	17.8
203.14308	16.5
203.17941	16.9
203.19734	1.8
205.15855	14.1
207.17534	5.8
211.15012	1.5
213.16447	5.5
215.17912	19.7
217.15810	1.6
217.19548	3.8
219.13896	1.7
219.17471	4.6
221.15346	17.3
221.18864	1.5
225.16524	2.0
227.17998	4.5
229.15961	2.1
229.19611	4.0
231.17482	3.7
231.21051	1.6
233.15381	2.9
233.18993	3.6
235.16975	2.6
237.16469	1.7
241.19574	3.5
243.21062	6.3
247.17014	3.4
249.14830	11.2
249.18677	2.3
253.19682	2.6
255.21057	13.5
257.22617	7.6
261.18622	2.2
267.21103	1.9
269.22763	5.6
283.20615	2.1
287.20013	3.7
289.21671	2.5
301.21585	10.5
303.23148	8.4
315.23129	6.1
339.26657	2.2
383.48041	1.6
391.33588	10.3
409.34698	48.8
410.35208	2.0
419.33176	3.9
422.32410	1.5
427.35785	2.8
437.34244	42.7
455.35342	100.0
456.35629	4.3
458.68463	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05508	20.7
57.03429	5.5
57.07051	7.1
60.29462	2.3
60.79016	2.4
65.03938	3.8
67.05501	40.2
69.07065	36.2
70.77624	8.5
71.04974	7.4
79.05486	28.1
81.06570	4.0
81.07050	69.4
83.04962	5.5
83.08623	18.3
85.02879	3.0
85.06514	4.3
91.05467	30.3
93.07037	54.9
95.04942	7.3
95.08598	100.0
97.06537	5.2
97.10152	12.0
105.07018	50.3
105.48164	2.6
107.08585	96.5
109.06535	4.6
109.09448	4.9
109.10149	64.4
111.08076	9.4
117.06988	9.5
119.08574	89.9
119.09442	4.4
120.96619	11.2
121.06484	6.0
121.10133	61.4
123.08019	7.4
123.11694	22.6
125.09621	4.9
131.08569	23.8
133.10124	74.7
135.08026	4.7
135.11668	43.9
137.09531	4.7
137.13234	8.9
139.07516	4.0
143.08508	5.3
145.10121	43.4
147.11670	52.9
149.09573	4.3
149.13228	25.9
151.07472	5.2
151.11122	6.3
153.09056	5.0
157.10123	13.4
158.10812	3.0
159.07971	4.0
159.11671	47.2
160.12456	3.7
161.09601	3.2
161.13245	40.9
161.59407	2.8
162.73903	2.5
163.07471	5.0
163.11227	4.4
163.14816	32.0
165.09041	3.4
165.12727	10.2
167.10756	3.5
169.10115	3.7
171.11719	16.3
172.12488	2.8
173.13245	34.5
174.98518	4.2
175.11177	5.8
175.14839	24.7
177.09093	8.7
177.12840	3.1
177.16335	15.3
179.14261	19.2
183.11650	2.7
185.13226	8.3
187.14810	33.1
189.12669	4.6
189.16362	72.1
191.17929	25.3
193.12335	2.7
193.15965	2.7
197.13239	4.1
199.14795	11.5
201.16376	56.6
201.18190	3.3
203.14357	3.4
203.17943	60.6
205.15845	5.3
205.19571	4.6
207.17491	17.4
209.15407	2.7
211.14850	4.7
213.00035	3.9
213.16360	9.1
215.17960	23.7
217.15808	2.7
217.19522	6.2
219.17421	6.3
221.15236	4.7
221.19008	9.1
225.16283	5.0
227.17979	7.3
229.15944	6.2
229.19528	23.0
231.17357	3.9
233.15405	8.4
235.16930	12.6
239.17767	4.2
241.19398	15.4
243.21049	12.0
247.16920	36.4
249.18433	5.7
253.19569	2.9
255.20882	7.6
261.18542	11.1
261.22076	2.7
267.21002	6.8
269.22662	7.2
275.20071	10.0
281.22482	2.7
285.21725	2.7
287.19962	7.8
289.21640	7.1
299.20062	4.8
301.21667	6.5
303.23105	3.5
313.21802	3.4
313.25339	4.1
315.22974	3.8
335.25870	11.3
357.24115	5.4
391.29205	3.6
391.33517	13.7
395.97958	2.7
409.34586	33.8
437.34354	65.6
455.21332	6.4
455.35580	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03925	3.0
55.05506	15.6
56.96545	3.6
57.07067	3.9
59.04999	2.7
64.01697	2.4
65.03947	3.0
67.05504	29.0
69.03421	3.0
69.07059	25.2
69.43041	27.0
71.04982	5.5
79.05486	16.9
81.07051	56.7
81.46804	2.5
83.04996	4.9
83.08621	16.4
91.05470	25.0
93.07034	47.4
94.86451	2.7
95.04992	6.6
95.08600	95.7
97.06544	5.8
97.10168	6.6
105.07021	60.8
107.04982	4.2
107.08586	64.9
107.09284	4.5
109.06548	5.0
109.10143	56.2
111.08092	4.5
117.07021	9.5
117.89674	2.7
119.08566	75.9
121.10136	64.0
123.08083	4.1
123.11707	17.5
129.06990	2.9
131.08563	29.5
131.20351	2.4
133.10115	50.3
135.08081	2.7
135.11676	46.7
137.13249	7.6
143.08562	7.7
145.10120	56.3
147.08031	3.8
147.11673	44.9
149.01193	3.4
149.09579	3.0
149.13251	29.2
157.10124	12.4
158.10930	2.6
159.11694	42.0
161.09634	4.6
161.13249	34.5
163.07559	4.5
163.11235	3.7
163.14818	27.9
165.12723	3.2
171.11668	11.1
173.09549	4.6
173.13242	21.3
175.14815	35.6
177.16376	11.4
179.14284	4.4
183.11687	4.4
185.13260	11.5
187.14830	34.7
189.16388	38.1
191.14330	5.3
191.17921	100.0
193.15889	3.4
197.13304	3.7
199.14828	7.6
201.16380	38.1
203.14392	7.5
203.17947	51.3
205.15904	30.0
205.19473	13.4
207.13840	3.2
207.17455	6.2
211.14809	6.1
213.16396	3.5
215.14412	3.5
215.17923	8.8
217.12146	3.8
217.15929	9.6
217.19487	18.4
219.17407	49.8
219.20860	3.8
221.15298	3.1
225.16254	3.1
227.17915	3.5
229.15964	3.7
229.19511	7.0
231.17442	3.8
231.21036	6.2
233.15210	13.8
235.16919	9.5
245.15346	3.2
247.16884	19.5
247.20702	3.3
253.19463	2.6
325.07019	3.2
358.16193	4.7
358.66537	3.2
391.33734	6.2
397.34872	7.9
409.30402	3.5
409.34796	38.9
419.33386	4.4
427.35709	6.0
437.34851	21.5
455.36194	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07924	3.6
53.03941	6.2
55.05502	26.4
57.03427	9.6
57.07052	5.3
59.04980	4.2
61.02909	4.1
67.05502	36.5
69.03422	6.9
69.07067	31.0
70.15497	17.0
71.04988	32.2
73.02888	4.2
75.04457	6.6
79.05488	26.9
81.03389	3.8
81.07055	70.9
83.04979	18.2
83.08607	15.6
85.02902	76.3
85.06550	6.2
87.04429	3.0
91.05457	24.4
91.18076	3.4
93.07038	56.9
95.04945	13.0
95.08595	100.0
97.02878	7.1
97.06497	8.9
97.10150	3.9
99.08094	3.3
105.07020	51.6
107.08595	76.4
109.02868	4.8
109.06499	10.6
109.10143	60.4
111.04421	11.9
111.08054	16.4
111.11674	4.7
117.07024	7.9
119.04941	3.8
119.08567	86.2
121.02818	5.0
121.06470	4.2
121.10132	61.2
123.04419	14.9
123.08092	5.7
123.11705	20.6
127.03940	8.2
129.05482	27.1
129.06929	5.1
131.08565	23.8
133.10114	64.5
135.08011	7.3
135.11688	34.7
137.02370	3.6
137.09605	4.8
137.13223	4.5
142.07707	3.4
143.08522	9.7
145.10118	56.5
147.04410	7.9
147.06517	18.8
147.07924	3.7
147.11671	61.0
149.09573	7.3
149.13234	36.4
149.33427	3.4
151.03879	4.7
151.11183	7.5
153.09068	4.8
154.55270	3.1
157.10149	10.5
159.11655	41.4
161.13243	50.4
163.11191	4.4
163.14799	21.0
165.05385	3.8
165.09084	8.4
165.12677	5.1
167.06981	6.7
169.10037	5.3
171.11659	9.7
173.13235	32.0
175.07573	8.5
175.14781	28.4
177.16373	18.7
179.14250	5.5
183.11734	6.2
183.56145	3.4
185.13272	14.2
187.14847	44.1
189.12784	4.3
189.16379	57.0
191.17969	22.1
193.12224	5.3
195.02863	5.6
199.14790	11.5
201.16380	45.2
203.17940	50.7
205.15851	13.8
205.19589	4.5
207.13760	15.0
207.17432	11.5
211.14818	4.0
213.05486	7.8
213.16402	11.3
215.17891	15.7
217.19551	7.6
219.13805	20.8
219.17419	9.5
221.15567	4.2
221.19063	6.2
225.16377	5.2
229.19524	15.8
231.13770	5.8
231.21059	6.2
233.15355	11.9
235.16885	7.1
241.19539	4.9
243.21062	5.9
247.16931	40.8
249.18343	7.4
269.22595	5.6
275.19913	6.1
287.20068	14.3
293.11923	3.4
309.11890	5.1
310.04474	7.2
311.05530	12.8
312.05618	5.4
321.07870	4.6
325.06964	22.1
326.07449	5.4
327.04709	8.8
337.06848	10.6
339.08493	5.0
347.09149	8.7
364.09277	7.2
365.10187	20.7
379.11713	42.0
380.12134	7.9
381.12601	7.8
391.33643	5.7
397.12714	12.5
399.10675	4.8
409.34647	41.1
419.14886	95.4
419.33035	4.3
420.15140	12.4
437.15967	34.1
437.34225	61.4
438.16077	10.1
455.16919	28.8
455.35834	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3516
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05492	0.9
57.03423	0.7
57.07076	1.1
67.05505	2.8
69.07069	3.5
70.71152	2.3
79.05490	5.2
81.07056	9.1
83.08618	1.3
85.06549	1.1
91.05483	2.3
93.07041	9.3
95.04966	1.3
95.08599	11.4
97.06536	1.9
99.08103	1.4
105.07030	9.5
107.08600	16.0
109.06527	2.4
109.10150	8.6
117.07001	0.9
119.08572	18.5
119.09344	1.4
121.06512	2.8
121.10141	8.3
123.08047	1.6
123.11719	3.4
125.05988	6.3
131.08557	3.8
133.10123	17.4
135.08076	3.8
135.11691	22.2
137.09618	2.0
139.07515	3.8
139.11183	1.3
143.08559	1.9
145.10104	9.8
147.08083	0.8
147.11691	12.2
149.09590	1.8
149.13264	4.5
151.11192	2.5
156.99168	0.9
157.10143	2.9
159.08067	2.0
159.11688	3.7
161.09628	3.3
161.13261	3.4
163.14813	5.4
165.09074	0.9
169.10184	1.9
171.11722	3.2
173.09628	4.8
173.13239	1.1
175.11169	5.1
177.09125	3.4
185.13248	1.9
187.11188	10.1
187.14809	7.0
189.16376	41.6
191.10609	4.2
197.13196	4.5
199.14822	1.6
205.15822	3.8
205.19603	1.0
207.17436	78.3
208.17957	0.9
211.14827	1.9
213.12791	0.8
213.16342	1.9
214.13449	0.8
215.14294	16.3
217.15909	1.5
223.14900	0.8
227.14314	0.8
229.15868	72.2
230.16306	1.3
231.17404	9.4
233.15344	29.1
243.17474	3.3
247.16924	24.5
249.18564	1.1
257.18964	2.8
283.20456	4.2
297.22232	1.1
419.32968	2.8
437.34180	29.9
438.34821	1.1
455.35199	100.0
456.35675	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	455.3517
Annotation	Thurberogenin
Peak:m/z	Relative Intensity
53.57841	0.6
55.05503	2.5
56.88321	0.7
57.07058	1.1
59.04983	2.3
63.81869	0.6
66.64761	0.8
67.05501	4.7
69.03409	1.4
69.07064	6.5
70.56323	2.5
71.04999	1.0
79.00574	0.5
79.05491	3.3
81.07047	12.8
83.04971	0.7
83.08603	2.7
85.06528	1.5
91.05487	3.9
93.07039	10.1
95.04964	1.6
95.08598	19.1
95.09536	0.8
97.06509	1.1
97.10150	1.1
98.20816	0.8
99.08160	0.7
105.07018	10.5
107.07863	1.0
107.08584	15.2
109.06499	2.8
109.10144	10.0
111.08072	1.1
117.07011	1.8
119.08569	23.0
121.06508	1.4
121.10139	13.9
123.08070	4.4
123.11671	5.1
125.05927	0.9
126.91915	0.7
129.06987	0.9
131.08563	5.4
133.10114	17.8
135.08054	3.9
135.11682	18.7
135.12704	1.4
136.38914	0.7
137.09602	2.7
137.13235	2.9
139.07524	0.8
143.08560	2.6
145.10104	10.3
147.08047	2.1
147.11682	12.1
149.09576	2.2
149.13237	5.1
151.11238	1.9
155.08614	1.3
156.09467	0.8
157.10156	2.9
158.10934	0.9
159.08104	1.6
159.11662	5.2
161.09601	3.9
161.13225	5.1
163.07567	1.4
163.11197	1.0
163.14812	5.5
165.09042	1.1
169.10182	1.5
171.08080	0.8
171.11656	4.8
173.09602	3.2
173.13254	5.2
175.11160	11.4
175.14798	2.9
177.12669	1.4
178.09863	1.7
181.09972	0.8
182.10817	0.8
183.11729	1.9
185.09695	0.7
185.13287	3.8
186.90565	0.7
187.11145	2.2
187.14838	10.3
189.12746	2.4
189.16364	22.9
190.16768	0.6
191.14459	0.9
191.17941	1.2
197.13235	4.4
199.14803	2.4
201.12724	1.8
201.16344	1.7
203.14342	1.4
203.17859	1.0
205.15840	3.2
207.17421	24.7
207.19374	1.2
209.13229	1.5
211.14847	2.2
213.12779	1.6
213.16344	2.9
215.14297	18.3
215.17632	1.0
217.15968	2.1
219.13899	0.8
219.17610	1.0
224.84232	0.8
225.16473	1.4
227.17938	1.1
227.98567	0.6
229.15854	6.1
229.19562	1.0
231.02264	0.6
231.17410	1.4
231.21126	1.6
233.15347	7.6
239.18069	0.8
243.17389	1.3
247.16966	2.1
251.16524	1.4
255.21155	1.0
257.18948	1.2
269.22784	0.8
295.20667	0.7
323.23663	0.8
323.27362	0.7
335.78137	0.8
341.28351	0.8
385.27420	1.9
391.33548	0.9
393.31293	1.0
397.30966	22.7
398.31372	1.2
409.34714	1.2
419.33273	4.1
437.34131	67.7
438.34406	1.7
455.35196	100.0
456.19382	0.8
456.35541	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.25189	1.2
55.05514	6.4
57.03425	2.0
60.05635	4.9
68.18168	1.2
69.03426	8.9
70.06593	6.2
71.04964	1.2
71.62168	1.9
72.08150	36.3
73.07334	1.1
76.92683	0.9
79.05463	2.9
81.03409	1.7
81.07051	4.3
83.04967	1.2
84.04510	1.3
84.08139	2.0
85.02906	7.0
86.09676	2.2
89.03922	1.5
89.10774	3.4
91.05448	2.6
95.08562	1.1
97.02883	4.3
97.07628	3.5
98.06044	2.6
98.09633	1.3
107.04929	2.5
107.08599	1.3
109.02864	1.9
110.02386	4.8
111.75013	1.1
114.09542	1.9
114.10285	25.5
115.03902	1.3
115.08681	4.3
116.98589	1.3
117.03362	2.6
119.04973	5.3
123.04410	1.2
124.55126	1.2
125.09630	12.2
127.03902	5.8
131.12909	5.6
135.04420	7.7
143.10649	4.4
145.02855	11.2
145.04973	1.4
147.04393	30.1
148.04744	4.4
152.07056	5.5
157.10887	1.2
163.03900	87.8
164.04231	2.0
166.35776	1.1
167.07033	1.2
169.09711	2.4
176.10748	1.1
180.46872	1.0
189.80688	1.1
216.10123	1.4
217.13385	2.0
218.11766	5.6
233.12834	4.5
234.11229	4.5
235.12300	1.3
235.14323	6.2
235.64728	1.8
249.15869	1.3
251.13785	1.1
256.15497	3.0
256.65494	1.4
263.16245	1.4
265.94061	1.1
276.13440	7.6
277.16531	1.9
293.16034	17.3
325.09933	2.6
408.18805	1.1
437.21103	2.1
455.11273	6.0
455.21277	100.0
456.21613	3.0
469.27914	3.2
480.41617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
54.84238	2.1
55.01858	7.1
55.05507	19.9
57.03432	7.0
57.07062	6.9
67.05493	34.4
69.03423	16.0
69.07062	34.5
69.64929	20.0
70.06580	3.8
71.04979	8.6
72.08149	4.3
79.05484	30.7
81.03404	8.1
81.07049	84.5
83.04967	10.0
83.08604	15.1
84.08149	3.4
85.02898	12.8
85.06540	6.7
91.05476	41.2
93.07037	56.2
95.04958	11.6
95.08598	100.0
97.02859	15.2
97.06533	12.7
97.10157	9.3
98.06044	10.8
99.04426	5.3
99.06385	3.6
99.08076	5.7
105.07018	63.7
107.08583	77.6
108.08947	3.9
109.02870	8.8
109.06496	11.3
109.09438	5.1
109.10144	61.5
111.08066	9.4
111.11695	2.9
112.41278	2.5
113.09709	3.1
115.03921	4.6
117.07008	13.7
119.04935	15.7
119.08569	89.4
121.06479	7.1
121.10130	55.9
123.04436	14.8
123.08083	9.6
123.11685	30.8
125.02332	2.9
125.05999	7.6
125.09615	8.1
126.05462	2.3
126.91694	2.9
127.03913	15.6
127.11195	5.3
129.06978	5.8
131.08554	37.8
133.06458	4.0
133.10124	51.0
135.04349	2.7
135.08086	5.7
135.11676	42.6
136.24518	2.5
137.05948	6.4
137.09619	9.6
137.13235	12.8
139.07561	5.5
139.11168	5.5
141.06943	3.4
142.07779	6.1
143.08565	18.6
143.09508	2.8
144.09366	3.8
145.04990	3.9
145.10095	44.9
147.04391	23.3
147.08081	5.6
147.11678	52.4
149.05946	3.5
149.09615	10.3
149.13239	24.5
151.03894	4.1
151.07559	6.7
151.11209	4.8
155.08531	6.3
156.09335	4.7
157.10106	20.0
158.11002	3.9
159.08069	4.6
159.11685	45.5
161.09558	6.9
161.13255	28.0
163.03918	3.8
163.07498	5.4
163.11169	4.7
163.14801	13.5
165.05496	2.4
165.09109	9.3
165.12781	6.6
165.35545	2.4
167.07043	7.1
167.08453	3.6
169.10098	10.9
171.11630	17.6
173.09619	5.4
173.13229	24.1
175.03902	21.9
175.07462	2.9
175.11145	6.2
175.14806	24.1
177.05527	6.0
177.12729	6.2
177.16360	13.0
179.14319	4.4
181.10124	5.0
183.11688	9.1
185.13251	11.0
187.11243	4.3
187.14771	19.8
189.12741	4.7
189.16386	28.1
191.10709	4.2
191.14221	4.8
191.17931	72.9
193.08572	3.6
193.12228	16.3
193.15846	3.0
195.13762	5.5
197.13258	8.0
199.11255	2.9
199.14851	9.7
201.12819	3.4
201.16383	31.1
203.14391	5.8
203.17926	37.7
205.15846	6.7
205.19559	6.4
207.06516	30.4
207.17407	8.3
209.13249	4.0
211.14854	6.2
213.16399	9.3
215.10603	2.7
215.14244	6.0
215.18019	4.2
217.15895	8.1
217.19489	6.2
219.13797	17.1
219.17358	15.4
221.15392	3.2
223.14827	2.7
225.16371	3.8
227.17949	5.7
229.15927	5.1
229.19505	4.2
231.17426	4.0
235.16733	2.8
245.19043	3.3
247.17004	14.0
250.14400	2.8
253.19368	3.1
265.17905	4.8
266.65726	2.8
267.21094	3.2
270.09705	3.5
271.10098	5.6
275.20047	3.1
291.23190	2.8
303.01379	2.7
307.83353	2.6
349.10513	3.2
350.82901	2.5
365.10168	3.8
379.12033	2.8
383.71237	2.6
401.26422	3.4
401.30939	3.8
407.33206	6.1
409.34647	6.3
419.15121	3.9
419.27884	5.4
419.32986	9.7
437.34216	38.8
438.16031	3.9
455.17303	20.5
455.26407	13.6
455.35175	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	455.1697
Annotation	Lupinisoflavone F
Peak:m/z	Relative Intensity
55.01864	0.6
55.05498	1.6
56.50971	0.4
57.03432	0.6
57.07073	0.5
59.04995	2.1
65.03944	0.4
67.05500	2.8
69.03416	1.8
69.07061	1.9
71.04967	0.5
71.62824	0.7
79.05480	1.7
81.03419	0.5
81.07050	4.0
83.01311	0.5
83.04975	1.0
83.08589	0.8
85.02916	2.2
86.30140	0.4
91.05485	2.2
93.07047	3.3
95.04953	1.0
95.08588	3.2
97.02882	2.3
97.10174	0.4
99.04412	0.6
105.07017	2.8
107.04957	0.7
107.08587	3.3
109.02873	0.5
109.06545	0.9
109.10157	2.7
111.04469	0.4
115.03905	1.1
117.07062	0.7
119.04961	1.0
119.08588	2.6
121.02854	2.3
121.06508	0.7
121.10138	2.5
123.04449	0.5
123.08025	0.5
123.11720	1.4
127.03888	0.8
131.04973	0.4
131.08562	0.9
133.10129	1.8
135.04395	0.6
135.07996	0.4
135.11678	1.7
137.09628	0.9
141.01862	1.2
143.08562	0.8
145.02850	0.4
145.10106	2.6
147.04404	1.1
147.11674	1.1
149.05988	0.5
149.09651	1.1
149.13197	1.0
151.03868	0.5
151.07559	0.6
159.07973	0.5
159.11693	1.3
161.13254	0.9
163.03954	0.6
165.09106	1.2
167.07039	0.9
169.06499	0.5
175.04044	0.6
175.07491	0.6
177.05608	0.5
183.11633	0.5
185.13316	0.5
187.14787	0.5
189.12714	0.6
189.16522	0.6
191.17976	0.6
201.16505	0.9
203.17989	0.8
229.04959	0.6
261.09357	0.5
267.06509	1.3
279.06650	0.5
281.08029	0.7
283.05930	2.4
289.08841	0.4
291.06616	0.6
292.07355	0.5
293.08038	0.6
294.05280	0.6
295.06000	5.5
295.09323	0.7
296.06351	0.5
297.07660	0.6
299.05630	0.4
303.10104	0.8
304.07227	0.4
307.06039	5.5
307.09537	0.9
308.06903	0.9
309.03967	8.1
309.07590	1.2
310.04575	1.0
311.05490	20.8
312.05792	1.0
317.08136	0.6
318.08908	1.3
319.06094	0.8
319.09561	1.8
321.07593	4.0
321.10986	0.5
323.05469	3.3
323.09177	5.3
325.07019	4.8
327.04974	1.7
331.09586	2.5
333.07690	0.8
335.05588	0.7
335.09116	3.0
336.09860	0.5
337.07022	1.7
337.10706	5.4
338.11206	0.4
339.05026	0.7
339.08728	0.4
343.09686	1.4
345.07468	1.5
346.08441	1.1
347.09146	3.9
348.09982	0.8
349.07196	2.4
349.10672	2.7
350.07779	0.7
351.08386	0.6
359.09039	1.2
359.12531	0.8
361.06812	0.8
361.10709	5.7
362.11307	0.6
363.08524	2.4
364.09262	1.0
365.10181	18.4
373.14349	0.8
375.12335	0.6
377.09845	0.7
377.13876	7.9
379.11710	8.7
381.09656	1.2
383.11145	7.1
391.15405	5.4
393.13336	1.0
399.10498	0.8
400.10321	0.8
401.13748	0.9
419.14777	2.9
437.15942	100.0
438.16312	2.8
455.17020	11.4
455.27402	0.6
455.34888	1.5
456.16800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23381	0.5
55.05510	2.8
55.20687	0.6
56.05027	0.6
57.03390	0.5
65.37812	0.7
67.05479	1.0
69.03403	1.7
69.07027	1.1
69.62778	1.5
69.63192	3.3
70.06594	6.0
71.04981	1.1
72.08151	37.2
73.02908	0.7
81.03393	0.9
81.07070	0.6
84.08119	2.5
85.02915	3.0
86.09686	2.4
89.10764	0.9
91.05466	1.1
95.04954	2.3
95.08569	1.3
97.02866	1.5
98.06032	3.5
98.09677	2.0
98.21486	0.7
99.04451	0.9
103.05442	0.8
107.04935	1.2
107.08558	0.8
109.06548	0.8
109.10168	1.0
110.02396	3.1
112.07559	0.6
112.39026	0.6
115.08681	1.4
119.04914	2.6
121.02824	1.5
121.06505	0.5
123.04440	1.1
124.07474	0.6
127.03896	3.4
127.11170	2.2
131.04919	1.2
131.12903	1.2
133.10065	0.7
135.04425	1.0
140.04683	1.6
140.07051	1.5
146.06001	0.9
147.04393	9.0
151.07532	0.9
152.07050	2.4
159.04436	1.8
161.05913	0.7
163.03958	0.9
167.07031	2.1
168.06572	0.6
169.09714	1.3
177.05443	6.5
179.08582	0.8
181.04863	0.7
187.03831	43.6
189.07063	0.6
195.08054	0.9
205.06549	3.1
207.08008	1.4
211.07629	0.7
212.03369	1.6
215.03378	2.7
218.11821	1.0
221.06099	1.1
222.06816	0.7
223.07550	2.1
230.04459	2.2
231.06464	1.6
233.05972	5.8
233.20157	1.6
235.07558	2.4
236.04716	0.8
237.05350	1.4
238.06319	1.1
242.04474	42.1
243.04732	1.5
249.05527	1.1
250.06258	3.5
251.07036	4.0
253.08609	2.6
255.06442	0.8
261.05399	1.3
263.07025	0.8
264.04163	0.7
265.04910	1.7
265.08643	1.0
266.05655	0.8
278.05615	1.4
279.06531	9.3
280.07242	1.1
281.04526	2.2
281.08191	2.3
283.05881	1.0
284.09143	7.7
286.06979	0.7
293.08093	0.8
293.14230	1.2
295.05963	1.6
296.06622	1.5
297.07614	0.7
298.08347	1.5
301.11819	3.9
307.05966	8.3
311.09137	1.3
312.09930	4.3
321.07523	0.7
324.06369	1.5
325.07068	0.9
325.10645	1.4
329.10318	1.8
339.08609	38.7
340.08868	1.7
343.08194	1.1
347.64224	0.6
385.09235	2.8
395.15952	1.3
410.15961	2.2
423.15280	0.9
438.15479	29.4
439.15979	0.8
455.18079	100.0
455.27280	4.0
456.18448	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1695
Annotation	Lupinisoflavone F
Peak:m/z	Relative Intensity
54.56269	0.5
56.17160	0.6
57.03424	0.8
64.85306	0.5
65.77477	0.5
67.05505	3.2
69.03411	0.6
69.07085	0.7
69.31169	0.6
71.04975	1.1
71.18766	1.6
73.83514	0.5
79.05489	1.6
80.38406	0.5
81.07051	2.7
83.04965	0.6
85.02900	1.9
86.27079	0.5
91.05469	1.5
93.07029	1.6
95.04948	1.2
95.08580	2.4
98.21429	0.5
105.07008	1.4
107.04929	0.9
107.08591	1.4
109.06487	1.5
109.10133	1.5
111.04423	0.7
114.70435	0.5
115.05561	0.5
117.07001	1.6
119.04947	1.3
119.08544	2.0
121.10120	1.1
123.04404	2.7
123.11660	0.6
129.05533	1.2
129.07043	0.7
130.00505	0.6
131.08553	1.1
132.00258	1.2
133.10118	1.6
135.04378	1.0
135.08047	1.4
137.02339	2.8
137.03304	0.8
138.00995	0.7
140.00812	0.6
145.06464	0.7
145.10127	0.9
147.11591	0.8
149.02380	0.8
151.03850	0.8
157.06427	1.0
159.04404	1.3
159.11656	0.8
161.02316	1.5
169.06499	1.1
171.11682	0.7
175.03804	0.7
179.00494	0.8
185.05904	0.8
187.07483	0.6
189.01884	0.7
189.05420	1.7
193.10118	0.8
194.00099	1.5
195.99738	2.2
197.05898	0.7
199.07588	0.7
200.04535	0.6
203.07047	1.2
207.02904	1.4
209.05969	0.6
211.07503	0.6
213.05492	6.3
225.05330	1.1
225.09143	0.9
227.07111	0.7
229.04919	0.8
231.06497	4.5
243.06491	0.7
249.07492	1.3
264.75571	0.6
265.08743	0.6
267.10031	1.3
277.08688	0.7
285.11212	3.8
285.92041	1.2
287.91769	1.2
293.04431	0.9
301.08682	0.7
303.92972	0.8
311.05533	3.1
319.09714	1.5
323.05756	1.2
323.09274	1.0
325.07144	0.6
329.08057	0.8
331.09564	0.8
333.07617	0.7
335.09000	1.3
337.06918	2.1
339.08636	0.6
347.09088	10.0
347.13055	0.9
349.10696	1.4
353.10135	0.9
359.09137	2.3
361.06827	0.8
361.10928	0.9
363.08615	0.8
364.09357	0.8
365.10156	25.5
371.09073	2.4
377.10208	2.6
379.11780	1.4
383.11584	2.9
385.10709	1.1
386.11551	1.0
389.10248	1.2
391.11432	0.8
401.13855	6.8
403.11594	0.7
404.12390	1.2
419.14850	100.0
420.15186	2.9
437.15988	17.8
454.62793	0.8
454.93097	8.2
455.17139	14.1
455.34714	1.6
455.40604	0.6
455.93597	0.8
459.39151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1695
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
55.05502	0.6
65.43145	0.5
67.05488	1.4
69.03413	0.8
69.07047	1.4
69.78823	3.0
70.06571	0.4
73.02905	0.5
79.05476	1.3
81.03375	0.5
81.06629	0.5
81.07047	2.8
85.02896	1.9
91.05468	1.2
93.07014	2.5
95.04954	0.6
95.08598	3.4
97.02898	1.7
105.07020	1.8
107.04927	0.8
107.08575	2.7
109.10145	1.7
111.08062	0.9
115.03928	0.9
119.08585	2.0
121.10130	1.5
123.11672	0.5
131.08578	0.6
133.10100	1.7
134.03622	1.5
135.04459	1.4
135.11708	1.0
137.02347	3.2
137.09639	0.6
141.01790	0.8
145.10104	1.6
147.04387	0.6
147.11697	1.4
149.13263	1.4
151.03992	0.6
157.10127	0.7
159.11676	1.0
161.13261	1.4
163.14838	1.2
165.09003	0.7
171.11635	0.9
175.07648	0.6
175.14822	1.4
177.16374	1.8
181.06624	0.5
183.02873	0.8
187.14819	1.1
189.01831	0.8
189.05412	0.5
189.16360	1.5
195.02888	1.0
201.16409	0.7
203.17949	1.4
205.15869	1.4
207.02722	0.5
207.17418	0.9
209.00822	1.9
211.02374	1.1
215.17953	1.3
227.01840	0.6
229.04951	0.8
255.06499	0.6
271.05765	0.6
283.05951	1.4
284.06839	1.3
299.05469	7.0
309.03751	0.5
310.04788	1.3
311.05469	17.8
311.23691	0.5
312.06021	1.5
313.07034	1.7
318.08737	1.3
323.05411	2.5
324.06116	0.7
325.03433	21.3
325.07001	2.0
327.04953	65.4
328.05350	1.3
329.07077	0.5
333.10959	1.4
337.07184	0.8
339.08597	32.9
341.06458	8.2
343.04459	4.1
346.08401	2.4
353.10229	6.8
361.10669	5.4
363.08713	1.1
364.09595	2.3
365.10114	1.0
375.12030	0.7
378.10913	0.8
379.11746	15.5
381.09494	2.7
393.13208	3.5
399.10721	100.0
400.11023	1.8
409.34637	2.1
419.14795	1.8
437.15952	4.5
437.34180	2.3
455.16916	38.0
455.35599	2.5
456.17380	0.7
484.00186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1695
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
50.29156	0.6
55.01815	1.0
55.05448	1.3
56.11589	0.6
57.03367	0.7
59.04921	2.1
59.12346	0.6
60.49145	0.5
63.96403	0.6
67.05418	3.1
67.48634	0.6
69.03374	0.9
69.06968	2.1
69.31130	4.1
69.31554	3.0
71.04905	0.8
73.02838	0.8
79.05396	1.8
81.03330	1.2
81.06956	4.4
83.01237	2.4
83.04917	1.0
83.08550	0.6
85.02804	3.9
85.06466	0.8
88.78608	0.6
90.34665	0.6
91.05472	3.0
93.03317	1.0
93.06941	3.1
95.04855	1.1
95.08601	5.5
97.02783	1.9
98.21505	1.4
105.06927	2.9
107.04861	1.5
107.08590	4.4
109.02762	1.8
109.06415	1.4
109.10151	3.4
111.04321	0.8
111.07968	1.3
115.03870	0.7
117.06948	1.1
119.04667	0.5
119.08557	4.1
121.06400	0.8
121.10116	3.5
123.00729	1.1
123.04335	1.0
123.11630	1.0
127.03833	0.8
131.08481	1.4
133.10139	3.1
134.03503	1.8
135.04308	1.8
135.11569	1.9
137.02263	0.7
137.09506	0.7
137.13190	1.2
139.83440	0.7
141.01709	2.1
145.10019	1.7
147.04376	0.8
147.11569	2.6
149.05878	0.9
149.13094	1.4
151.03879	0.7
151.11066	0.8
157.10040	1.0
159.11574	1.5
161.13194	0.9
163.14638	1.2
165.01714	2.3
165.09024	1.0
169.01228	1.3
171.11545	0.7
173.13171	1.3
175.07468	1.5
175.14761	1.1
177.01752	2.3
177.16295	1.4
183.02754	2.7
183.04242	0.7
187.14684	1.5
189.01741	2.1
189.16280	1.7
193.01285	7.8
193.88670	0.6
195.02924	5.7
203.17897	1.7
205.04980	7.0
207.02902	5.0
207.17311	0.8
209.00706	2.9
211.02364	24.2
213.05319	0.9
217.07083	0.6
219.06416	1.4
223.05969	5.7
225.03935	1.5
227.01685	1.3
237.07500	1.7
242.44420	0.7
245.09645	0.9
281.04446	1.5
293.04300	2.2
299.05548	3.0
305.04361	1.0
307.02396	6.1
309.03943	11.4
310.04758	0.7
311.05414	4.2
314.04172	9.3
319.09518	2.3
321.07468	3.7
322.04630	1.0
323.05341	2.9
323.08902	0.9
325.03604	0.9
325.07062	2.3
327.04968	33.7
328.05591	1.5
329.06537	24.6
335.09158	0.8
337.07104	3.6
339.08636	16.9
341.06509	6.9
347.09140	10.6
351.08447	0.7
353.10089	2.8
363.08868	0.8
365.10187	20.8
379.11707	2.7
381.09607	2.0
385.12808	1.2
393.13260	2.3
399.10736	100.0
400.11087	1.9
409.34662	1.2
419.14899	2.4
419.32938	0.7
437.15778	5.4
437.34061	2.4
455.17026	61.3
455.35931	4.8
456.17407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1698
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
50.76073	0.3
55.01849	0.6
55.05486	0.9
57.07065	0.5
59.04996	11.6
64.42110	0.3
65.03923	0.6
65.76963	0.3
67.05501	3.1
68.99760	0.6
69.07056	4.6
69.69322	2.9
71.04976	0.4
79.05478	2.5
81.07058	5.1
83.04978	0.6
83.08609	1.1
85.02881	0.4
91.05472	2.6
91.56998	0.4
93.03390	1.5
93.07046	4.3
95.04937	0.8
95.08054	0.5
95.08604	8.3
97.06539	0.7
105.03373	0.5
105.07020	4.1
107.04932	1.5
107.08583	6.0
109.06527	0.7
109.10149	4.8
111.08053	1.6
111.11678	0.3
117.06995	1.0
119.04928	1.0
119.08566	7.1
121.02875	0.5
121.10130	5.3
123.04463	0.6
123.08109	0.6
123.11688	1.8
125.06030	0.6
128.06252	0.4
129.07018	0.7
131.08549	1.7
133.02806	0.8
133.10120	4.4
135.04401	1.7
135.11679	3.4
137.02339	0.6
137.05939	0.5
137.13246	0.7
137.83977	0.3
139.18922	0.4
141.06963	0.4
143.08508	0.6
145.10104	3.2
147.04402	1.6
147.08057	2.3
147.11674	4.9
149.02351	0.5
149.09633	0.5
149.13203	2.6
151.07558	0.5
157.10098	1.1
159.11694	2.9
161.02339	1.4
161.09698	0.6
161.13251	3.8
163.03897	2.4
163.11165	0.4
163.14822	1.5
165.09090	0.5
169.06357	0.4
171.11661	0.9
173.05966	0.7
173.13237	2.5
175.07565	3.6
175.14833	2.2
177.01880	0.8
177.12769	0.5
177.16393	2.2
179.10626	0.4
183.11708	0.8
185.13234	1.0
187.07524	0.7
187.14812	3.4
189.01801	11.2
189.16371	4.8
191.03395	0.6
191.10652	0.5
191.14302	0.5
191.17970	1.9
193.12399	0.6
197.06067	0.5
199.14801	0.9
201.01830	0.4
201.16405	3.8
203.17924	4.6
205.15887	1.2
207.02875	12.6
207.13852	0.7
207.17432	1.3
213.05518	0.7
213.16408	1.0
215.06906	0.8
215.17972	1.8
217.15804	0.5
217.19470	0.8
219.13799	1.6
219.17464	0.6
221.18915	0.6
225.05466	0.5
227.17830	0.4
229.19507	0.7
231.21072	0.6
233.15434	1.0
235.16862	0.7
241.04991	1.4
243.06593	3.3
247.16904	2.7
253.04941	0.7
255.06400	0.5
261.07541	1.2
267.06488	1.0
269.22424	0.5
275.20026	0.5
281.11618	0.5
287.20087	0.9
295.06052	2.4
301.21548	0.4
303.09958	0.4
305.04382	5.1
309.11261	4.0
311.05432	10.3
311.08878	0.7
315.04871	0.7
323.05481	13.3
323.12851	0.5
325.06769	0.6
331.09595	0.8
337.10693	0.7
349.10690	1.9
351.12326	0.9
361.10641	1.2
365.10266	0.9
379.11731	100.0
380.12036	2.3
391.33420	0.6
395.77917	0.4
399.10654	1.1
409.34680	3.0
419.15015	3.4
425.34354	0.7
437.16281	1.8
437.34299	4.7
455.17386	2.1
455.35825	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	454.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85890	0.8
56.57092	0.8
58.06590	1.6
69.03439	4.1
70.06590	100.0
70.47505	0.7
71.04975	1.2
71.53735	1.0
71.62612	1.8
72.08142	7.1
77.03348	0.9
81.03411	2.7
82.75103	0.8
84.08133	5.5
85.02917	4.1
86.06029	1.1
87.04411	0.9
87.63335	0.8
88.57910	0.7
91.05499	1.3
94.06583	1.2
96.08139	1.1
97.02880	3.3
98.06026	2.5
99.04452	1.4
100.78416	0.8
101.06007	2.3
105.07042	1.0
109.02895	5.4
110.06063	1.0
112.07600	92.2
113.07923	1.4
114.05489	1.0
114.10236	0.9
116.07054	3.6
119.04929	2.6
127.03915	3.9
128.10741	2.2
138.05453	2.1
139.03870	1.2
140.07059	61.4
145.04977	1.1
146.11740	1.6
147.04404	19.9
148.04817	1.5
158.08133	14.7
163.03922	1.0
177.05531	0.8
182.16467	0.9
188.09393	1.0
218.11774	2.5
230.10350	1.7
234.09891	3.0
235.14352	2.1
256.15359	3.9
256.65454	1.2
266.10117	4.1
284.11264	18.7
290.15976	2.3
292.13937	1.3
293.14938	3.7
302.12271	5.8
305.13635	1.0
341.49307	0.9
355.24075	1.0
418.17502	1.2
422.20129	1.1
454.23584	8.6
455.11356	1.8
455.20309	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	454.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01872	0.4
55.05504	0.9
65.03925	0.4
69.03419	0.3
69.43106	0.3
69.43510	1.1
77.03920	0.5
81.03415	0.2
84.08128	0.6
86.09698	1.9
87.36327	0.1
88.31747	0.2
91.05470	13.5
92.05811	0.2
103.05449	0.3
105.03375	0.4
112.07587	0.5
118.04147	0.2
119.04928	29.2
120.05266	0.4
127.03992	0.2
129.03391	0.5
131.04927	0.5
132.02095	0.5
133.02834	0.5
135.04361	0.3
136.05193	0.2
145.02841	0.5
147.04393	29.5
148.04784	0.5
149.02310	0.4
156.07841	0.2
157.03949	1.8
162.03035	0.2
163.03728	0.2
164.04715	0.8
167.07050	0.4
174.03146	0.2
175.03885	61.4
176.04216	1.0
179.06999	1.8
191.03426	0.2
192.04155	1.7
200.88539	0.1
207.06502	100.0
208.06856	1.5
249.11105	0.2
292.15387	76.0
293.15741	2.0
349.27090	0.2
427.77536	0.2
454.20734	1.6
454.34491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2925
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05510	2.3
57.03433	3.6
57.07072	19.1
58.50813	0.4
62.06083	23.9
65.03921	0.6
67.05212	0.5
67.05499	4.5
69.07061	3.9
71.04968	0.5
71.08628	13.9
79.05493	0.7
81.07051	6.0
83.08613	4.6
85.10175	8.0
89.06061	0.5
91.05472	0.5
91.14719	0.4
93.07030	1.4
95.08598	10.6
96.08891	0.4
97.10176	2.5
98.21490	1.3
98.98462	4.7
105.06326	0.4
105.07018	1.4
107.08560	1.3
109.10146	4.6
110.10487	0.5
111.11708	0.8
119.08576	1.1
121.10103	1.6
123.11677	1.7
124.01596	1.3
133.10129	0.9
135.11717	0.7
137.13329	0.7
142.02628	0.9
143.08554	0.7
145.10117	0.8
147.11745	0.7
155.01016	5.0
157.10091	0.5
159.11697	0.5
161.13252	0.6
162.13663	0.5
171.11700	0.5
173.02060	0.6
187.14850	0.8
191.06906	0.4
198.05261	1.4
213.16399	0.4
214.13025	0.5
216.06332	2.9
236.20645	0.4
239.23637	1.9
242.72676	0.4
282.27899	19.7
313.27341	100.0
314.27710	2.3
393.24020	6.1
436.28125	3.6
436.33261	1.9
454.29236	1.8
454.34607	5.6
455.34836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.5
71.60690	0.4
77.58308	0.4
80.81928	0.4
98.91932	0.4
98.97554	0.4
112.89597	37.2
114.89331	0.6
128.98582	0.5
134.99721	0.4
146.99626	0.4
191.92245	0.4
219.01646	0.6
237.02853	0.7
248.08549	0.4
250.89511	0.9
269.05447	0.8
297.77570	0.4
381.07712	0.6
395.08728	0.5
413.09888	2.1
455.11584	100.0
456.12088	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03714	1.6
51.47878	1.4
53.03933	3.5
54.55061	1.3
55.01867	4.2
55.05262	1.6
55.05508	20.3
57.07061	6.5
59.04949	1.4
62.25947	1.4
67.05500	20.0
69.03419	9.5
69.07065	20.1
70.44637	3.5
70.45007	3.3
71.04984	2.5
71.08616	2.9
73.66402	1.5
79.05491	8.9
81.03412	10.6
81.07055	14.4
82.74033	1.5
83.04984	1.9
83.08628	13.3
85.06488	1.7
91.05467	5.3
93.07041	9.5
95.04958	8.5
95.08595	16.4
97.06528	2.5
97.10140	5.0
99.00802	26.6
99.04461	2.0
100.11230	5.0
100.79507	1.4
105.07003	6.6
107.04945	10.6
107.08598	8.0
108.20266	1.5
109.02869	13.3
109.06503	2.4
109.10171	8.3
111.04408	2.0
111.08125	1.9
111.11698	2.7
117.01854	24.3
117.06997	2.3
119.08575	9.9
121.06496	1.5
121.10145	4.8
123.04402	5.0
123.08033	2.6
123.11676	4.9
125.05952	2.6
125.13209	1.9
127.03902	59.6
131.08557	6.8
133.10115	5.0
135.04417	6.9
137.13280	2.1
141.05452	59.6
143.08508	2.8
145.10091	4.7
147.11696	4.1
153.05446	32.1
155.07024	1.7
157.10138	3.8
159.06529	5.9
159.07957	3.1
159.11621	3.7
161.09587	1.7
161.13251	2.5
164.13080	1.7
167.07019	1.7
171.06503	37.1
171.11632	1.8
173.13298	2.8
177.12704	1.7
183.11748	2.0
185.08197	1.5
187.03659	5.2
187.14819	1.6
189.12665	1.7
189.16306	3.0
190.66087	1.4
193.15787	1.7
199.14835	1.9
205.15730	1.7
209.16486	2.7
210.14868	2.2
227.12737	2.3
231.59308	1.6
241.14149	2.9
337.24240	1.6
394.76096	1.7
407.33392	2.7
435.34744	60.8
436.34970	1.7
453.35593	100.0
454.35159	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	453.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23762	0.8
55.01860	1.7
55.05506	8.9
57.07069	4.9
65.03912	1.4
67.05497	8.0
69.03409	1.0
69.06717	1.4
69.07060	20.1
71.04981	1.3
71.08627	1.7
79.05473	2.9
81.07047	15.9
83.04955	3.7
83.08604	9.3
85.06509	1.1
91.05471	2.4
93.07033	8.7
95.04968	1.9
95.08595	26.5
97.06511	1.6
97.10165	5.0
99.04445	5.8
100.02042	0.8
104.46258	0.8
105.07021	6.8
107.04938	1.7
107.08588	9.7
109.06514	2.7
109.10133	12.5
111.04421	2.7
111.08053	1.6
111.11712	3.8
113.05987	2.1
119.08564	14.4
121.06523	1.8
121.10145	13.0
123.08064	1.8
123.11674	5.2
125.05986	3.4
125.09622	1.7
125.13243	1.1
131.08548	3.7
133.10097	7.4
135.08017	2.5
135.11674	5.5
137.05963	2.1
137.09621	1.8
137.13257	4.6
141.05440	13.3
143.08524	1.2
145.10095	5.1
146.73112	0.9
147.11618	4.9
149.09644	1.5
149.13271	3.6
151.14825	1.3
153.05443	37.9
157.10146	2.3
159.06616	0.9
159.11659	5.5
161.09624	1.4
161.13240	5.1
163.11212	1.5
163.14804	2.2
171.06526	1.1
171.11726	2.0
173.09644	1.2
173.13248	6.2
175.11246	1.4
175.14819	6.2
177.16389	2.0
183.11691	1.9
185.13251	2.3
187.14810	3.3
189.12741	1.8
189.16399	3.4
191.10625	1.1
191.17905	2.2
197.13184	1.6
199.11046	0.9
199.14873	2.3
201.12733	3.0
201.16389	1.5
203.14317	0.9
203.17943	2.2
205.15906	0.9
211.14780	1.1
213.16371	1.4
215.14268	1.1
215.17899	1.2
217.15764	1.8
219.17403	1.4
225.16350	1.0
227.14470	1.1
229.15779	1.4
233.15401	1.7
243.17661	0.9
247.16910	1.0
249.74390	0.8
251.17946	1.2
255.17490	1.2
255.21049	0.9
259.20587	1.5
269.19012	1.0
313.25299	3.0
325.07077	1.6
345.28149	2.0
369.31555	1.7
389.32181	3.6
397.12985	2.0
399.32434	2.1
407.33057	28.5
407.38315	1.8
408.32941	1.6
411.32642	3.6
417.33655	15.4
435.34705	31.8
436.35065	1.3
453.33621	100.0
454.34122	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	453.3361
Annotation	Melliferone
Peak:m/z	Relative Intensity
50.20432	0.8
55.05497	1.9
57.07071	1.6
67.05489	3.6
69.03431	1.4
69.07056	4.2
69.89622	6.5
71.08605	1.0
79.05479	4.2
81.07057	8.6
83.08619	2.0
91.05454	3.0
93.07056	7.5
95.08598	10.3
97.06552	1.5
97.10175	1.4
98.20709	1.5
99.08099	1.2
100.11234	1.4
105.07013	6.0
107.04909	1.0
107.08600	8.9
109.06508	1.6
109.10153	8.1
111.08043	1.3
117.06999	1.3
119.08578	10.6
121.06516	2.0
121.10180	6.3
121.10879	1.1
123.08061	1.1
123.11710	2.8
125.06000	5.8
131.08607	2.8
133.10123	6.8
135.08052	2.1
135.11678	2.6
136.62138	1.0
136.74428	1.0
137.09671	1.4
139.06598	1.0
139.07553	4.5
143.08568	2.0
145.10136	7.6
147.11726	3.8
149.09619	2.8
149.13303	1.6
151.07526	1.4
157.10156	3.5
159.11697	4.4
161.09619	2.6
161.13222	2.9
163.11163	15.2
163.14839	2.5
169.10124	1.2
171.11729	2.3
173.09634	3.7
173.13232	2.2
175.11192	6.2
175.14818	2.0
177.09149	1.9
177.16388	1.5
183.11668	1.6
184.13719	1.0
185.13280	2.1
187.11195	4.2
187.14766	7.3
189.16391	4.4
191.10699	2.5
197.13287	4.2
199.14777	1.3
201.12816	1.2
205.15866	32.4
205.17816	1.8
207.17534	1.6
211.14853	2.2
213.16354	1.5
215.14297	11.7
217.15894	1.4
219.17398	2.0
229.15857	28.2
230.16367	1.3
231.17366	2.4
233.15346	24.4
243.17397	2.1
247.16931	7.5
249.18591	1.3
269.18976	1.0
306.60745	1.0
407.33282	1.7
417.31671	1.5
435.32608	17.3
439.52435	1.0
453.33630	100.0
454.33875	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	453.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
54.10293	1.2
55.01860	1.9
55.05508	14.0
57.07064	5.2
65.03934	1.9
67.05167	1.8
67.05499	26.1
69.03437	1.7
69.07064	23.7
70.16930	7.1
71.04999	1.9
77.03940	1.5
79.05489	20.3
81.03412	2.1
81.07053	50.7
83.04977	4.2
83.08613	10.1
85.02914	3.2
85.06548	2.3
91.05473	24.7
93.07037	46.1
95.04942	7.1
95.08601	70.0
97.02882	4.4
97.06524	3.3
97.10159	4.5
98.20814	2.0
103.05478	1.8
105.07027	51.7
107.04921	2.9
107.07856	2.1
107.08589	43.9
109.06507	4.6
109.10149	36.4
111.04436	1.6
111.08056	2.6
111.11736	2.2
117.06986	11.0
119.04889	1.6
119.08575	42.0
121.06507	5.1
121.09296	2.7
121.10136	36.2
123.04434	3.3
123.08073	2.9
123.11707	18.1
125.05988	5.0
127.03905	3.9
128.06210	3.5
129.07005	6.7
130.07780	2.4
131.08562	27.8
133.06497	3.2
133.10121	33.4
133.11079	2.8
135.04405	3.0
135.08020	4.0
135.11682	24.3
137.05974	3.1
137.13235	16.2
139.07542	2.1
141.06987	2.0
142.07790	4.5
143.08562	24.2
144.09322	2.6
145.06474	3.3
145.10118	34.8
147.04425	1.7
147.08113	2.7
147.11668	24.1
149.05992	6.6
149.09669	2.8
149.13269	13.5
151.07530	6.2
151.14810	2.4
153.09076	2.1
155.08572	4.1
156.09334	4.8
157.06610	1.8
157.10118	26.2
158.10875	2.3
159.08008	2.3
159.11681	31.8
160.12363	1.7
161.09637	4.9
161.13257	17.1
163.07538	3.7
163.11186	3.8
163.14821	5.0
165.09032	2.3
167.07101	2.7
167.08549	1.5
168.09352	2.1
169.10127	5.5
170.10892	6.3
171.08052	2.3
171.11673	18.3
173.09589	2.0
173.13246	15.6
175.07547	10.1
175.11264	2.6
175.14796	11.1
177.09142	4.2
177.12723	2.7
177.16335	6.6
179.06966	1.3
179.14360	2.6
181.08624	1.6
183.11700	7.8
184.12421	2.2
185.09653	1.5
185.13243	18.1
187.11194	4.6
187.14793	10.8
189.09116	6.7
189.12772	5.0
189.16367	20.6
191.10658	5.6
191.14261	1.8
191.17941	56.6
195.11751	2.5
197.13257	5.1
199.14825	21.3
201.12724	5.0
201.16362	18.4
203.10666	3.4
203.14339	5.2
203.17950	23.7
205.12238	6.5
205.15909	2.0
205.19594	2.2
207.10181	2.1
209.13251	3.6
211.14876	3.3
213.12708	2.9
213.16306	3.5
215.10727	1.8
215.14359	2.8
215.17969	5.3
217.12276	4.7
217.15877	10.5
217.19484	5.6
219.13857	5.4
223.13077	2.1
225.16245	2.2
227.14409	2.7
227.17969	4.0
229.12306	2.0
229.15959	2.0
229.19547	4.6
231.13789	10.8
231.21037	4.6
233.15373	6.5
235.13213	3.4
243.21039	4.2
245.15369	23.1
247.13313	3.1
249.14900	5.4
255.20956	3.3
261.14929	3.8
263.16373	23.7
269.22647	5.9
275.16312	6.4
280.62772	1.6
285.18521	1.5
287.16470	2.2
289.17871	2.5
299.19919	1.4
301.18057	6.3
303.19571	5.1
310.04727	3.3
311.05444	1.5
315.19312	2.4
317.21069	1.7
321.07733	1.9
325.07098	7.9
326.07590	1.6
329.21149	4.5
346.08072	3.2
349.10785	3.5
351.08765	2.8
357.24365	2.6
361.10773	4.6
362.10751	2.1
363.08752	5.0
364.09259	2.0
365.10062	4.1
369.24304	2.4
377.09988	2.3
379.11734	22.0
380.12250	2.5
389.32047	2.6
397.12961	3.1
398.33862	1.4
407.33255	6.9
411.29025	2.2
417.13043	2.2
435.13763	2.7
435.19342	3.2
435.32721	8.6
453.15063	13.2
453.33658	100.0
454.15878	4.0
454.34109	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3361
Annotation	Melliferone
Peak:m/z	Relative Intensity
55.05505	3.3
56.96555	1.7
57.07071	1.2
67.05490	3.1
68.61243	1.2
69.07067	3.9
69.98244	4.0
69.98660	2.4
79.05490	3.4
81.07061	7.6
83.08622	2.0
91.05478	2.3
92.82378	1.1
93.07054	8.0
95.08607	11.3
97.06525	1.3
99.08112	1.9
100.11266	2.7
105.07043	5.6
107.08597	9.0
109.06531	2.0
109.10155	5.5
119.08577	10.7
121.06543	2.1
121.10149	11.4
123.08092	1.1
123.11671	1.4
125.05964	5.5
131.08548	5.9
133.10106	9.7
135.08058	3.0
135.11703	4.3
139.07571	3.4
141.05467	1.0
143.08557	1.5
145.10101	7.3
147.11746	4.8
149.09586	2.5
149.13315	1.3
151.07561	1.5
153.05460	1.6
156.09303	1.8
157.10176	2.6
159.08073	1.7
159.11713	4.7
161.09644	2.8
161.13319	3.1
163.11195	16.1
163.14816	1.7
171.11736	2.7
173.09663	5.0
173.13292	2.9
175.11205	5.7
175.14821	2.0
177.09164	1.5
177.16389	1.9
183.11694	1.8
187.03825	1.2
187.11227	4.0
187.14833	7.9
189.16437	3.2
191.10703	2.1
197.13274	2.8
201.05638	1.2
201.16454	1.3
203.14403	2.0
205.15884	35.2
205.17825	2.1
210.15051	1.3
211.14909	1.8
215.14256	10.4
217.15979	1.3
219.17442	2.5
229.15866	30.8
230.16383	1.5
231.17444	2.2
233.15349	23.6
233.17444	1.7
234.15828	1.2
243.17519	3.3
247.16888	6.2
249.18517	2.1
257.18927	1.3
291.88977	1.3
319.19223	1.4
337.20532	2.6
360.22083	1.8
407.33102	3.0
413.01056	1.2
417.32465	2.1
435.32675	14.9
453.33722	100.0
454.33929	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	453.336
Annotation	Melliferone
Peak:m/z	Relative Intensity
55.05505	1.3
57.07074	0.8
67.05499	2.7
69.03396	0.4
69.07066	2.8
70.71191	0.8
71.04996	0.6
71.83891	0.4
74.52411	0.4
79.05469	2.1
81.07058	4.6
83.04988	0.9
83.08626	1.8
91.05458	1.8
93.07038	4.5
95.04949	0.9
95.08601	7.2
97.06515	0.6
97.10155	0.7
99.08081	1.0
103.05434	0.5
105.07012	5.2
107.08588	7.0
109.06503	1.2
109.10145	5.3
111.04472	0.6
111.08096	0.4
115.05427	0.5
115.10747	0.4
117.07023	0.6
119.08573	8.3
120.25104	0.4
121.06528	0.6
121.10135	6.8
123.08077	0.9
123.11708	3.1
125.05975	1.4
129.06999	0.4
131.08585	2.5
133.10129	5.9
135.08052	1.0
135.11694	4.5
137.13255	0.9
138.03107	0.4
139.07568	1.1
143.08571	1.3
145.10136	4.5
147.08051	0.9
147.11700	3.6
149.09618	0.7
149.13315	1.9
151.11127	0.6
153.05467	7.3
155.08601	0.5
156.09351	0.4
157.10141	2.2
159.08038	0.6
159.11726	3.0
160.65080	0.4
161.09622	1.1
161.13237	2.5
163.11206	0.8
163.14818	1.3
165.12793	0.4
169.10100	0.7
171.11653	2.1
173.09669	0.8
173.13219	2.8
175.11186	1.6
175.14806	4.1
177.16382	1.9
183.11664	1.6
185.09660	0.4
185.13264	1.7
187.03752	0.8
187.11211	1.7
187.14809	4.5
189.12718	0.9
189.16353	4.1
191.17982	0.7
197.13297	1.7
199.14850	1.5
201.12752	0.8
201.16377	2.2
203.14388	1.1
203.17989	0.9
205.15910	2.4
207.17496	1.0
209.13252	0.8
211.11116	0.5
211.14857	1.3
213.12724	0.5
213.16402	1.4
215.14311	1.9
215.17960	1.0
217.15898	1.2
219.17407	3.6
220.08611	0.4
223.14914	0.5
224.15691	0.4
225.16449	0.8
227.14386	0.6
227.17851	0.7
229.15921	1.3
229.19505	0.5
231.13799	0.5
231.17406	0.7
233.13498	0.4
233.15382	2.3
233.18990	0.6
235.16968	0.9
237.16330	0.8
239.17986	0.5
240.19011	0.4
241.15892	0.5
241.19550	0.5
243.17522	0.6
245.08124	0.7
245.15387	1.2
247.16844	0.8
249.16370	0.7
249.18727	0.6
251.17982	0.5
253.19746	0.5
255.17552	0.4
255.20984	0.9
263.17899	0.7
271.16718	0.5
271.20587	1.5
273.18408	0.6
281.19022	1.2
283.20349	0.4
285.18390	0.4
295.20660	0.6
297.22131	0.5
299.20004	4.7
313.21664	1.1
323.27402	0.4
379.11716	1.9
389.32129	1.4
397.12848	1.1
407.33249	2.2
417.31750	1.1
425.33975	1.6
435.32611	13.0
443.71313	0.4
453.20703	2.5
453.33667	100.0
454.33890	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	453.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01874	2.4
55.05508	14.7
57.03432	2.2
57.07059	6.2
65.03926	3.6
65.39754	1.6
67.05497	27.0
69.03405	6.0
69.07065	25.2
70.87369	4.4
71.04979	2.1
71.08656	1.9
73.19047	1.7
79.05491	23.0
79.76043	1.7
80.05834	1.4
81.03389	2.7
81.07051	54.6
83.04971	6.4
83.08613	10.6
85.02895	6.1
85.06519	4.7
91.05478	27.8
91.06015	3.6
93.06463	3.2
93.07037	49.2
94.07399	1.9
95.04952	10.2
95.08602	82.5
97.02882	5.4
97.06516	4.4
97.10162	7.2
99.04473	4.0
99.08141	2.0
105.07024	51.2
106.07348	2.3
107.04919	3.2
107.08588	44.3
108.82066	1.8
109.06507	6.5
109.10147	42.1
111.04436	3.5
111.08076	2.9
115.05448	2.2
117.06984	13.0
119.08578	46.4
121.06493	5.1
121.10131	36.5
123.04407	5.1
123.08102	3.7
123.11708	17.0
125.05983	9.6
125.09628	3.4
127.03912	3.9
128.06197	3.5
128.37930	2.0
129.07007	10.9
131.08557	31.0
133.09216	2.9
133.10126	32.3
135.04439	3.4
135.08000	3.4
135.11684	28.2
137.05980	4.4
137.09639	3.4
137.13240	17.9
139.03862	2.9
139.07561	2.0
142.07747	6.0
143.08560	25.2
144.09297	3.0
145.06538	3.0
145.10115	38.0
145.11264	1.9
147.04373	3.4
147.08049	4.1
147.11678	27.9
148.72806	1.6
149.05983	10.3
149.09615	3.7
149.13222	13.5
151.07512	3.7
151.11147	2.2
151.14786	3.2
153.09058	1.8
155.08562	5.4
156.09247	4.0
157.10114	27.3
158.10818	3.0
159.08116	2.0
159.11684	28.2
160.12366	2.0
161.05920	2.2
161.09644	4.2
161.13249	20.3
163.07547	6.3
163.11206	3.5
163.14854	5.6
165.09113	2.5
165.12746	2.0
167.07123	3.3
167.08580	2.7
168.09373	2.1
169.10034	9.2
170.10892	5.0
171.08040	5.5
171.11668	18.4
172.12134	1.7
173.13248	17.6
175.07549	8.0
175.14812	10.5
177.09116	4.2
177.12762	2.4
177.16409	5.0
181.10043	3.1
183.11737	7.0
184.12448	3.0
185.13281	19.9
187.11365	4.2
187.14772	14.1
189.09132	5.2
189.12679	5.1
189.16342	21.7
191.10640	6.4
191.17921	68.0
192.18346	2.4
195.11722	2.0
197.11639	1.9
197.13246	6.4
199.14793	19.4
201.12735	4.4
201.16393	19.8
203.10616	3.4
203.14323	5.7
203.17975	21.2
205.12280	4.7
205.19475	4.7
209.13345	3.0
211.14854	4.5
213.16402	5.1
215.10811	2.8
215.14316	3.7
215.17886	5.4
217.12453	3.9
217.15916	11.5
217.19482	6.4
219.13821	6.4
223.13092	2.8
225.16423	2.4
227.14363	3.3
227.17928	2.2
229.15921	3.9
229.19437	5.2
231.13818	8.9
231.21075	4.5
233.15381	7.5
235.13335	5.4
239.17981	3.6
243.21112	2.9
245.15344	25.5
245.22791	2.2
247.13252	3.8
249.14836	6.1
255.17549	2.1
255.20978	3.4
257.15387	1.9
261.14868	3.4
263.16379	23.9
269.22644	6.1
275.16443	7.2
285.18207	2.5
289.18018	3.9
301.17978	6.4
303.19571	5.5
309.03607	2.0
311.05328	2.1
315.19595	3.8
325.07077	4.6
329.21133	3.8
339.08704	1.8
361.10736	6.7
362.11227	2.1
363.08728	2.8
364.09207	2.3
365.10004	3.3
369.24408	4.6
379.11691	9.9
381.09589	6.6
382.09995	2.1
389.31989	2.4
395.10818	1.9
397.13193	2.1
407.33011	6.1
411.29105	2.5
435.14243	13.7
435.32336	10.2
453.15256	26.4
453.33646	100.0
454.15790	3.0
454.33966	6.7
475.69516	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13527	1.5
53.03934	3.5
55.01865	2.4
55.05503	12.9
57.07063	5.2
65.03931	2.5
67.05506	27.0
69.03418	6.8
69.07062	20.0
69.35852	19.3
71.04999	2.1
71.70264	1.7
79.05483	23.8
81.03400	3.0
81.06570	3.1
81.07051	56.1
83.04979	6.1
83.08604	11.4
85.02890	2.4
85.06527	4.2
91.05468	26.5
93.07033	51.6
95.04974	10.9
95.08597	73.6
97.02886	5.3
97.06539	3.3
97.10152	6.6
98.21475	4.1
99.04436	3.4
99.79583	1.8
100.11241	3.9
103.05478	2.1
105.07022	42.1
107.04971	3.0
107.08584	48.0
109.02882	2.3
109.06532	5.2
109.10141	42.6
111.04424	2.7
111.08076	3.4
115.05458	2.7
115.28432	1.9
117.07029	12.7
119.08566	45.1
119.09347	3.7
121.06493	5.8
121.10145	29.2
123.04412	8.4
123.08067	4.6
123.11717	18.1
125.05978	7.5
125.09644	2.2
127.03879	2.8
128.06184	3.6
129.07007	6.4
131.08562	23.9
133.06444	2.5
133.10120	29.8
135.04405	3.7
135.08032	3.9
135.11690	30.2
137.06001	5.5
137.09654	3.5
137.13231	13.6
139.03897	2.3
139.07564	2.6
142.07767	6.3
143.08542	22.9
144.09346	2.4
145.06499	2.0
145.10106	34.9
147.04366	4.5
147.08058	3.5
147.11668	27.5
149.05988	4.7
149.09595	5.7
149.13254	15.1
151.07515	4.5
151.14825	2.8
154.25850	2.0
155.08525	5.6
156.09279	3.3
157.10110	25.1
158.10779	2.8
159.08046	3.2
159.11685	31.4
161.09634	5.3
161.13228	19.2
163.07539	6.2
163.11201	3.2
163.14828	5.1
165.12759	3.0
167.07047	5.5
169.10104	8.2
170.10875	7.0
171.11688	19.1
173.09645	2.6
173.13272	15.3
175.07582	6.8
175.11259	4.7
175.14809	10.9
177.05524	3.7
177.09114	4.5
177.16376	8.6
179.14403	2.4
179.17937	2.0
181.08588	2.2
181.10081	3.5
182.11020	2.3
183.11708	6.2
185.13269	14.6
187.11201	4.3
187.14813	12.3
189.09109	7.2
189.12711	5.2
189.16368	17.0
191.10657	6.1
191.17931	57.7
193.08539	2.2
193.12114	2.6
195.11726	2.9
197.13188	5.0
199.14804	17.8
201.09120	2.6
201.12700	4.7
201.16365	13.0
203.10709	2.4
203.14331	7.2
203.17970	18.7
205.12245	3.6
207.11784	2.0
207.13718	2.5
209.13339	2.8
211.14845	4.3
213.12735	2.2
213.16382	3.3
215.10571	2.7
215.14496	3.0
215.18015	3.0
217.12253	4.9
217.15863	9.7
217.19444	4.3
219.13832	6.2
222.11266	3.2
223.13255	2.5
227.14337	2.4
227.18077	2.5
229.19554	5.0
231.13803	8.6
231.21118	2.9
233.15407	5.7
235.13127	3.2
243.21230	3.2
245.15378	19.7
247.13335	4.5
247.40102	2.2
249.14778	4.2
255.20950	3.7
256.09796	2.0
257.15414	2.1
261.15005	3.0
263.16397	22.7
269.19336	1.7
269.22684	6.7
273.18677	2.4
275.16513	5.8
283.20273	2.4
287.16452	2.4
289.18069	3.4
301.17990	4.7
303.19562	5.5
310.04770	6.8
311.05328	2.0
315.19507	4.0
317.20996	2.0
325.06979	20.6
326.07288	2.3
329.21054	5.4
339.08670	2.0
361.10675	3.7
363.08444	3.2
365.10165	5.7
369.24280	3.9
377.05942	2.2
377.10196	3.0
379.11923	8.4
381.09576	8.0
389.31747	3.4
393.13144	3.1
397.12897	11.5
407.33014	5.7
417.13245	2.1
417.30368	2.5
435.14325	7.0
435.32489	13.8
436.14603	2.2
453.14865	17.6
453.33633	100.0
454.33878	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1906
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
55.05468	0.6
60.16027	0.3
61.37294	0.3
66.05584	0.2
67.05434	1.1
69.07008	0.7
70.29860	0.6
70.30253	0.6
74.36609	0.3
79.05415	0.9
81.07052	1.8
83.04932	0.3
83.08576	0.4
85.06425	0.3
89.03866	0.4
91.05412	1.0
93.07052	1.5
95.08616	2.0
97.10127	0.4
98.21494	0.4
105.07021	1.9
107.08616	2.0
109.06476	0.4
109.10143	1.5
117.03284	1.0
119.08574	2.5
121.10062	1.2
123.11663	0.7
129.06854	0.5
131.08470	0.9
133.10100	1.8
134.03551	1.2
135.07988	0.5
135.11624	0.7
138.89096	0.3
142.07784	0.4
143.08514	1.0
145.10086	1.5
147.07961	0.5
147.11595	1.3
149.05899	0.6
149.13216	0.6
151.03857	0.6
157.10002	1.0
159.04347	0.9
159.11629	1.1
161.09520	0.5
161.13190	0.6
165.09093	0.4
169.10089	0.6
171.11560	0.5
173.13203	0.9
175.11179	0.5
175.14777	0.8
177.01820	0.6
185.13229	0.4
187.07594	0.8
187.11139	0.4
187.14775	0.6
189.05501	0.5
189.12634	0.6
189.16367	0.8
191.17934	0.5
195.02831	1.5
197.05804	0.4
197.13199	0.7
199.14777	0.6
200.61598	0.4
203.18040	0.4
209.05785	0.4
211.14664	0.4
213.05464	4.0
213.16304	0.4
215.14252	0.4
217.15775	0.4
227.17833	0.7
231.06348	0.4
231.13708	0.4
253.04855	1.8
254.05504	0.5
255.17412	0.4
265.05026	0.5
282.05029	1.8
293.04449	1.4
297.07358	0.4
298.04828	0.5
309.03870	0.6
310.04700	30.7
311.05112	1.2
313.07022	1.3
318.09055	0.3
324.06339	2.9
325.07037	100.0
326.04156	0.4
326.07446	3.0
337.06894	0.5
339.08578	4.6
341.06683	1.2
346.08279	1.8
361.10611	1.6
363.08771	0.4
364.09280	3.2
379.11768	8.7
397.12802	90.9
398.13181	3.7
417.31891	0.5
435.32626	1.8
453.19077	16.6
453.34274	5.6
454.19485	0.6
465.11917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1905
Annotation	Artonin S
Peak:m/z	Relative Intensity
51.87396	0.5
53.19539	0.4
55.05497	0.8
57.07063	0.8
58.03126	0.4
58.54000	0.4
67.05484	2.1
68.04835	0.5
69.07063	1.6
70.75464	1.2
71.08643	0.5
71.11051	0.4
74.98016	0.5
79.05493	1.5
81.07062	2.7
83.08600	0.6
89.03906	0.9
91.05471	1.6
93.07059	2.2
95.04979	0.6
95.08604	4.2
97.10188	0.7
100.11269	0.7
103.05492	0.5
105.07017	2.6
107.08604	3.0
109.06500	0.5
109.10185	2.1
111.08132	0.5
117.03362	0.8
117.07027	0.6
119.08582	3.6
119.99453	0.4
121.06482	0.7
121.10160	2.0
123.11685	1.1
129.06996	0.6
131.08589	1.9
133.10100	2.9
134.03622	4.3
135.08049	0.9
135.11697	1.8
143.08563	1.0
145.10153	2.1
145.58304	0.4
145.59509	0.4
147.08122	0.5
147.11693	1.9
149.06105	0.4
149.13260	0.8
151.03928	0.6
157.06517	0.6
157.10104	2.0
159.08075	0.6
159.11717	1.5
161.13248	2.8
163.14806	0.8
166.09323	0.4
171.11707	1.7
175.14867	1.3
177.16348	0.5
183.11732	1.1
185.13251	1.3
187.14816	1.5
189.05498	1.8
189.16396	1.7
197.13147	0.7
199.14856	1.3
201.16391	0.6
202.07803	0.7
203.06918	0.6
203.14388	0.6
203.17842	0.5
205.15926	0.5
207.13708	0.5
213.05513	1.3
213.16414	0.8
215.18103	0.5
217.10170	0.9
217.15947	0.6
219.08067	0.9
220.08926	0.5
221.15172	0.4
225.16469	0.6
227.17931	0.8
230.05638	0.7
231.06497	1.0
233.09708	0.5
233.15327	0.6
234.10300	0.6
239.17960	1.1
245.09621	1.5
247.07549	1.2
253.19449	1.4
255.21217	0.6
261.09131	1.7
262.09900	1.6
263.07001	0.6
273.09158	1.6
275.07031	1.6
285.18658	0.6
289.08539	2.1
290.09366	2.2
293.08011	0.6
299.20071	1.5
301.08588	2.7
305.11414	0.7
305.24612	0.5
307.09494	1.1
308.10123	0.6
310.04736	7.6
311.04999	0.5
313.27380	1.4
317.08005	1.4
318.08789	5.5
319.09561	0.9
321.07565	0.9
322.04706	1.7
322.08365	1.4
325.07037	17.3
326.07248	0.6
329.08014	2.7
333.11151	8.2
335.09283	0.6
336.06354	0.6
336.09933	1.0
337.06995	1.6
337.10709	2.1
345.07605	2.0
346.08344	13.7
347.08978	0.9
349.07043	1.1
361.10675	36.5
362.11099	1.3
363.08841	1.4
364.09399	13.8
365.09891	0.6
379.11749	100.0
380.12103	3.8
381.13275	3.1
385.27399	1.4
389.32117	0.6
397.12729	2.1
407.33282	0.6
435.18008	43.5
435.33218	3.3
436.18411	2.5
453.19479	0.9
453.33838	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1905
Annotation	Okaramine I
Peak:m/z	Relative Intensity
55.05485	0.5
59.04957	0.6
63.25877	0.2
67.05455	0.8
69.07066	1.5
69.39349	1.3
69.39775	0.9
79.05447	0.2
81.07058	1.1
81.07438	0.3
83.04967	0.2
83.08588	0.4
90.89861	0.2
91.05434	0.7
93.06977	0.8
95.08588	1.4
98.21485	0.5
105.07021	0.9
107.08583	1.2
109.06490	0.5
109.10102	0.8
117.03383	0.9
117.06927	0.2
119.08600	1.1
121.10099	0.9
123.11629	0.4
131.08530	0.5
133.10072	0.6
134.03610	1.3
135.08008	0.3
135.11610	0.5
143.08510	0.3
145.10075	0.7
147.11632	0.6
149.05931	0.4
151.03857	0.4
157.06519	0.2
159.11624	0.6
161.13213	0.5
169.09964	0.2
171.11659	0.3
173.13188	0.5
175.14775	0.5
177.01839	0.3
177.16319	0.4
183.11768	0.2
185.05923	0.2
185.13313	0.3
187.14780	0.7
189.05449	0.4
189.16316	0.6
191.03357	0.2
191.17914	0.3
195.02840	0.9
201.16371	0.4
203.17911	0.3
207.02728	0.2
213.05447	0.5
213.16214	0.2
215.06998	0.5
231.06418	0.3
241.08653	0.2
245.09677	0.3
253.04895	1.6
254.05582	0.6
262.09637	0.2
265.05029	0.4
269.08118	0.3
273.09186	0.4
281.04517	0.3
282.05283	1.0
289.08594	0.4
290.09363	0.6
293.04480	0.6
294.05115	0.2
295.05930	0.4
297.07452	0.4
298.04639	0.7
301.08633	0.5
305.11523	0.4
307.06012	0.4
307.09720	0.4
309.03851	0.4
310.04706	19.3
311.05237	1.2
313.07040	1.6
318.08755	1.2
319.09720	0.2
322.04691	0.5
322.08295	0.3
323.05417	0.3
323.09082	0.4
324.06253	2.3
325.07037	48.6
326.07431	1.9
329.08136	0.5
333.11249	1.4
334.08282	0.3
335.09009	0.4
337.06992	1.0
337.10699	0.6
338.07513	0.3
339.08685	2.3
345.07529	0.3
346.08344	2.7
347.09094	0.5
348.09885	0.3
349.10809	0.2
351.08649	1.0
352.09341	0.4
353.10037	0.4
361.10721	6.7
362.11255	0.3
363.08585	0.5
364.09433	3.2
365.09964	0.6
367.11823	1.4
377.10013	0.6
379.11737	9.8
380.12213	0.5
381.13382	1.9
393.13293	2.1
395.11090	0.3
397.12839	0.7
407.18774	0.3
407.33142	0.3
435.18036	0.7
435.32730	0.7
438.16605	2.0
443.26898	0.2
453.19067	100.0
454.19406	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	453.1904
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
55.05493	2.7
57.07066	1.1
65.54724	0.7
67.05499	5.5
69.07063	3.7
69.38451	2.1
69.38863	5.1
79.05486	1.8
81.07059	6.2
83.08607	1.4
85.06526	1.1
85.51378	0.7
86.57389	0.9
91.05476	2.2
93.07043	5.0
95.04953	0.8
95.08604	8.6
100.11205	1.0
105.07035	5.0
107.08576	5.4
109.06496	1.5
109.10172	3.7
115.05497	0.7
117.03372	1.1
117.07043	0.9
119.08588	6.1
121.06427	1.1
121.10131	3.9
123.08071	1.4
123.11691	2.2
129.07031	1.5
131.04883	1.1
131.08548	2.8
133.10132	4.2
134.03606	1.3
135.04370	0.7
135.08020	1.1
135.11696	2.7
137.05980	0.9
137.13211	1.8
141.05496	1.0
143.08525	0.8
145.10106	3.8
147.11667	2.6
149.09689	0.8
149.13254	1.7
151.03857	1.0
153.05484	3.4
155.08646	0.7
157.10094	2.6
159.04387	3.4
159.11676	2.7
161.09595	1.1
161.13255	2.5
163.14795	1.1
164.63745	0.7
169.10165	1.1
171.11682	2.4
173.13249	1.8
175.11115	1.3
175.14873	1.8
183.11667	1.6
185.13283	1.8
187.07521	1.7
187.14868	1.8
189.16376	2.3
190.82091	0.7
195.02863	1.3
195.11591	0.8
197.13341	1.2
199.14801	0.8
201.16389	0.9
203.14268	1.3
211.11063	0.8
213.05405	7.5
215.14430	1.0
231.06419	1.0
231.13635	0.8
233.15158	0.8
241.19603	0.8
252.00410	0.8
253.04956	1.9
254.05779	1.6
289.08704	1.3
292.21713	0.7
295.06061	1.0
298.04739	3.1
307.09351	1.1
310.04688	26.6
311.05304	1.0
313.06973	5.1
318.08908	1.5
325.07028	77.0
326.07428	3.6
337.06863	1.0
337.10812	0.9
346.08356	5.5
347.08844	1.5
361.10641	10.2
364.09415	6.1
379.11722	40.1
380.12036	1.4
397.12796	100.0
398.13239	3.6
407.33322	1.4
417.31891	1.1
423.11554	0.8
435.33206	4.8
453.19229	15.7
453.33948	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1538
Annotation	Urdamycinone B
Peak:m/z	Relative Intensity
55.01854	1.3
55.05486	2.4
57.03433	1.4
57.07076	1.1
59.04982	1.4
65.03923	1.7
67.05501	5.6
68.99768	1.0
69.03412	1.1
69.07037	3.5
71.04989	1.1
71.36285	1.3
75.04458	1.2
79.05468	3.0
81.03402	1.0
81.07050	6.9
83.01305	0.8
83.04946	1.1
85.02880	2.5
85.06505	1.1
91.05470	5.2
93.07040	5.8
95.04935	2.8
95.08609	4.1
97.06512	1.6
104.14370	0.8
105.07022	4.1
107.04906	3.7
107.08578	4.5
109.06478	3.2
109.10115	3.9
111.99503	1.1
115.05434	1.0
117.06982	1.6
119.08569	5.4
121.02802	1.0
121.06490	1.5
121.10091	3.1
121.86356	0.8
123.04394	2.6
123.08028	1.7
123.11695	1.5
125.09557	0.9
127.03857	1.0
128.06165	0.9
129.06960	2.5
130.00552	2.1
131.04968	0.8
131.08588	4.4
133.06555	0.9
133.10107	3.6
134.03569	1.6
135.04366	3.3
135.08057	1.3
135.11612	2.0
137.02284	1.5
137.09622	1.5
138.01044	1.9
141.06938	1.4
143.08493	1.8
145.06458	1.5
145.10101	2.7
147.04401	1.9
147.07980	3.1
147.11633	2.8
149.02342	1.6
149.05981	1.2
149.09630	2.1
151.03873	1.2
153.01767	0.9
153.05400	1.1
157.06471	1.8
157.10164	1.9
159.07996	2.0
159.11623	1.6
161.02335	6.3
161.09621	1.2
161.13158	0.9
163.03902	1.3
165.06946	0.9
167.08496	1.2
169.06410	3.0
169.10210	1.2
171.11580	1.0
173.02345	1.6
173.05898	2.5
173.13239	1.1
175.03918	1.2
175.07501	6.5
175.11121	1.0
175.14742	1.0
179.03452	0.9
185.13235	1.2
187.07513	2.8
189.01831	6.5
191.03307	3.5
191.07036	0.9
193.01122	1.2
194.00092	4.1
194.01730	1.2
195.99556	1.4
197.05936	0.9
200.04568	2.6
201.01743	2.5
201.05437	2.3
203.03340	4.0
205.08447	1.2
207.02867	10.0
208.03560	1.1
211.02327	3.0
211.07539	1.5
213.05325	1.5
215.03322	1.2
215.06950	3.4
217.04874	1.3
218.05707	1.6
219.02811	3.0
221.04291	2.0
223.07356	1.1
225.03746	1.4
227.18246	0.9
229.05020	1.0
231.06526	1.2
233.07887	1.5
236.06732	2.4
241.04962	1.2
243.06514	14.1
247.05971	2.4
251.07220	0.9
253.04887	1.3
260.08295	0.9
261.07413	9.8
267.06418	1.3
275.10626	1.0
279.06430	1.4
279.09872	1.9
283.05844	1.0
285.09213	1.1
285.91937	2.7
289.08588	1.2
293.04306	1.2
293.07791	0.9
295.05981	2.0
297.07468	1.1
303.10001	1.7
305.04474	4.6
305.07446	1.1
307.02411	1.8
307.05869	1.6
307.09460	2.2
309.03830	2.0
309.07443	1.4
309.11087	1.0
310.04596	3.3
311.05225	3.7
316.07074	1.1
319.05746	2.6
319.09186	1.3
321.07587	1.0
323.05457	8.9
324.06491	1.3
325.03452	1.9
325.06906	7.4
325.10538	1.7
327.04916	7.5
331.09656	1.1
333.07599	2.2
334.08160	2.7
335.05283	2.5
337.07077	5.5
339.08768	1.7
340.05316	0.9
341.06461	4.8
344.06729	0.9
345.07339	1.0
346.08322	1.1
347.09030	1.6
348.09732	1.5
349.06873	1.3
349.10864	1.9
351.08356	4.1
352.09039	1.5
353.06232	1.9
353.10004	2.4
359.09097	7.3
361.10455	3.2
363.08246	5.4
364.09204	1.2
365.10110	2.4
366.10651	1.3
367.11603	2.1
377.10193	42.9
378.10193	1.7
379.08188	1.5
379.11804	15.1
381.09412	11.2
393.13306	3.5
395.11237	100.0
396.11252	2.5
397.12564	1.8
407.14578	3.8
417.13199	1.8
435.13965	13.5
435.32462	2.0
452.93521	13.0
453.15173	65.4
453.34030	5.7
453.93387	1.1
454.15152	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	453.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.81123	0.5
55.05494	1.7
57.03449	0.8
57.07059	0.8
59.04996	5.2
66.98956	0.6
67.05505	3.6
69.03416	2.3
69.07079	3.4
71.04993	0.7
71.61659	1.2
72.08167	0.7
78.91273	0.6
79.05495	3.5
81.03409	1.5
81.07046	7.6
83.04979	2.0
83.08624	1.9
85.06541	1.6
86.40854	0.5
91.05473	3.1
92.46550	0.6
93.06465	0.5
93.07037	4.5
95.04949	2.3
95.08609	8.2
97.02876	1.0
97.06515	1.1
97.10144	1.0
98.04846	0.6
99.04444	0.6
101.93692	0.6
103.84962	0.5
105.07017	5.5
107.04933	2.1
107.08578	5.6
108.62801	0.5
109.02849	0.8
109.06515	2.2
109.10153	5.0
111.08072	1.0
111.59032	0.6
115.05482	0.8
117.07047	1.5
119.08564	5.0
121.02807	0.8
121.06513	1.3
121.10141	4.0
123.04427	2.1
123.08060	1.2
123.11707	0.9
125.06004	1.7
127.05454	0.5
129.06995	1.3
131.04881	0.7
131.08546	2.5
133.06490	2.1
133.10129	2.9
134.03606	0.7
135.04439	1.4
135.08055	1.6
135.11671	2.8
137.05977	1.3
137.09599	1.3
137.13268	0.9
139.11215	0.7
141.05414	0.7
141.23430	0.6
142.07729	0.7
143.08551	2.1
145.10121	2.7
147.08063	1.2
147.11676	2.9
149.05959	0.9
149.09575	1.7
149.13239	1.1
151.03944	0.6
153.05482	1.0
156.09218	0.8
157.06511	0.7
157.10136	2.4
159.04468	0.8
159.08105	0.6
159.11690	2.7
161.02322	2.4
161.05995	1.1
161.13327	1.0
163.03928	0.8
163.07559	1.1
163.11201	1.0
165.07005	1.0
165.09094	0.8
165.12750	0.7
167.07172	0.8
167.08549	0.8
169.06509	0.7
169.10085	0.7
171.11755	1.1
173.06061	0.9
173.13249	1.7
175.07460	3.3
175.11102	0.9
175.14848	1.8
177.12802	0.8
179.07146	1.2
181.08589	0.7
181.10153	1.3
183.11731	1.3
185.05998	0.9
185.13367	0.9
187.07539	0.7
187.11217	1.1
187.14777	1.6
189.01788	0.7
189.05550	0.7
189.16327	1.1
191.17931	0.6
195.02881	0.9
197.13263	0.7
199.14879	1.1
201.05434	0.7
201.16273	1.2
203.07031	0.8
203.17961	0.8
205.04895	1.1
207.02921	1.9
209.09557	1.2
212.08368	0.9
213.05406	1.7
214.05969	0.7
215.07030	0.9
215.10637	1.0
215.14313	0.7
219.02962	0.7
221.04321	0.7
223.14719	0.7
225.05539	0.8
229.04959	5.5
229.15840	1.0
231.06461	0.9
235.17203	0.7
237.09085	1.0
240.07851	1.2
241.04785	1.0
241.08530	1.0
243.06483	1.5
247.06021	4.8
255.06526	0.7
255.10001	1.0
257.04404	0.6
259.05850	1.1
265.08783	6.8
271.05890	0.7
283.09610	8.7
289.08585	0.9
293.04437	1.5
293.07813	0.7
301.10690	7.4
303.10083	0.9
305.04453	1.2
305.07813	0.7
307.05942	0.7
307.09680	0.8
310.04706	8.0
311.05289	1.3
317.08118	1.0
319.05859	0.7
321.07571	2.4
323.09006	0.9
324.06207	1.3
325.07053	16.9
326.07578	0.7
329.07904	0.8
331.09726	1.1
333.07538	0.7
334.08429	1.0
335.05618	0.7
335.09000	3.0
336.09711	0.7
337.06915	1.3
337.10638	0.9
339.08743	1.9
341.07986	1.0
345.07523	1.3
346.07935	0.8
347.09146	1.4
348.09927	0.9
349.06940	0.9
349.10718	1.1
356.10226	0.8
359.09079	2.3
361.10803	3.3
363.08478	5.3
363.12274	1.0
364.09402	1.5
365.10092	2.9
377.10071	5.6
379.11801	7.0
381.09570	11.6
381.14221	0.6
389.14139	1.9
391.11539	0.8
393.09439	1.7
393.13712	1.0
395.11285	5.0
399.12225	6.6
407.15125	1.1
407.33264	0.7
417.13269	20.0
418.13577	0.9
435.14340	100.0
435.32349	3.2
436.14655	4.1
453.14478	8.1
453.19058	26.6
453.33765	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	453.1541
Annotation	Epimedokoreanin A
Peak:m/z	Relative Intensity
53.03920	0.7
53.87093	0.5
55.01851	1.3
55.05514	2.6
56.05803	0.4
56.96551	0.5
57.03419	1.0
57.07057	0.7
59.04998	3.3
65.03929	0.7
67.05509	3.8
68.99785	0.6
69.03431	2.3
69.07059	2.7
70.48521	1.9
71.04974	1.5
72.08155	0.7
77.23796	0.4
79.05483	3.9
81.03390	1.4
81.07051	7.8
83.04970	1.6
83.08604	1.2
84.08151	0.6
85.02888	1.2
85.06516	1.6
91.05474	3.5
93.07042	5.4
95.04968	3.1
95.08597	6.5
97.02879	1.6
97.06521	1.7
97.10147	0.7
99.04447	1.3
99.08076	1.2
100.11280	2.2
103.05472	0.8
103.98825	0.5
105.07008	4.9
107.04929	1.7
107.08589	6.6
109.02854	1.1
109.06503	2.3
109.10147	5.5
111.04464	0.6
111.08106	1.1
115.05457	0.6
117.07017	1.0
119.04935	0.7
119.08576	5.2
121.02831	0.8
121.06472	1.2
121.10135	3.7
123.04411	2.3
123.08031	1.1
123.11707	1.8
125.05972	1.0
125.09612	1.2
127.03891	2.0
127.11236	0.5
128.06174	0.5
129.06989	1.1
131.04893	1.7
131.08557	2.0
133.06471	0.9
133.10117	4.0
135.04424	1.0
135.08034	1.9
135.11696	2.7
137.02292	0.8
137.05927	1.3
137.09624	1.2
139.03842	0.8
139.07544	0.5
139.11232	0.6
143.08572	1.4
145.02892	0.5
145.06453	1.3
145.10106	3.9
145.52710	0.5
147.04381	1.8
147.08015	1.2
147.11635	2.6
149.05972	1.3
149.09587	1.8
149.13232	1.8
151.07472	2.0
151.11150	0.8
151.17216	0.5
153.05476	0.6
153.09120	0.6
153.12668	0.5
155.08574	0.8
157.06464	0.5
157.10092	2.3
159.04445	0.9
159.08043	1.0
159.11746	2.7
161.02361	1.5
161.05965	0.9
161.09575	1.2
161.13231	1.1
163.03882	1.1
163.07512	0.6
163.11157	0.6
163.14821	0.6
165.05505	0.7
165.09126	0.6
165.12695	0.9
167.07008	1.3
167.08377	0.5
169.04861	0.6
169.06590	0.4
169.08627	0.5
169.10080	1.3
171.08040	0.5
171.11673	1.3
173.09592	0.5
173.13240	1.8
175.07481	2.2
177.05481	1.8
177.09094	0.4
177.12791	0.5
181.08569	0.6
181.10049	0.4
182.15450	0.5
183.02936	0.4
183.11667	0.5
185.09674	0.6
185.13188	1.1
187.07504	0.9
187.11134	0.8
187.14801	1.3
189.01787	1.1
189.05489	0.8
189.16353	1.1
191.03502	0.8
191.14325	0.8
191.17953	0.7
193.01340	1.2
197.13327	1.1
199.14799	1.2
200.10732	1.7
201.16353	1.0
203.03377	1.0
203.17863	0.5
205.01295	0.9
207.02859	1.3
210.14862	0.6
211.02385	3.0
211.14915	0.6
213.05510	0.6
215.17902	0.5
217.04951	1.0
217.15800	0.8
218.05692	0.5
219.02856	0.5
219.06444	1.0
221.00774	0.6
221.04422	1.0
227.14473	0.6
229.04964	1.7
231.02802	0.6
231.06487	1.0
231.15036	3.6
231.17067	0.7
241.15762	0.5
243.06526	2.9
245.04451	1.2
247.06009	3.5
247.35782	0.5
249.09209	0.6
257.18985	0.6
259.09586	0.6
261.03940	0.5
261.07520	1.0
263.05545	1.4
265.08731	0.5
270.67566	0.5
273.11313	1.4
283.09659	0.7
289.15244	0.5
293.04651	0.5
293.08194	0.4
295.05899	2.4
305.07907	0.6
307.06009	3.2
307.09329	0.8
308.06772	0.5
309.04007	2.7
311.05493	1.0
311.08749	0.7
319.06110	3.3
319.09433	0.9
320.06723	1.4
321.07739	1.0
321.11331	0.6
323.05545	0.7
323.09091	0.9
327.04932	3.5
333.07617	1.8
334.08197	1.3
335.05460	1.8
335.09140	2.4
337.07043	2.8
339.05038	0.6
339.08704	0.8
345.07388	1.4
346.07950	0.4
347.09171	3.0
349.06976	0.7
349.10880	0.8
351.08438	0.7
353.10184	2.6
359.09146	3.5
361.07025	1.3
361.11050	2.5
363.08557	16.8
363.12955	0.9
364.08963	0.7
365.06210	0.5
365.10196	5.8
375.08200	0.9
375.12698	2.2
377.10178	15.2
379.07846	4.0
379.11508	0.6
381.09659	17.2
389.13815	7.3
391.11407	0.8
393.09573	1.4
393.13638	9.1
395.11295	2.2
397.09225	1.5
399.12100	1.3
399.25055	0.8
407.14859	10.4
407.19785	2.0
407.32947	0.6
417.13300	5.1
417.26089	0.8
417.30780	0.5
435.14450	11.8
435.27338	0.8
435.32550	1.8
453.15387	100.0
453.33524	8.9
454.15588	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	453.154
Annotation	Urdamycinone B
Peak:m/z	Relative Intensity
53.03936	0.8
54.81123	0.5
55.05494	1.7
57.03449	0.8
57.07059	0.8
59.04996	5.2
66.98956	0.6
67.05505	3.6
69.03416	2.3
69.07079	3.4
71.04993	0.7
71.61659	1.2
72.08167	0.7
78.91273	0.6
79.05495	3.5
81.03409	1.5
81.07046	7.6
83.04979	2.0
83.08624	1.9
85.06541	1.6
86.40854	0.5
91.05473	3.1
92.46550	0.6
93.06465	0.5
93.07037	4.5
95.04949	2.3
95.08609	8.2
97.02876	1.0
97.06515	1.1
97.10144	1.0
98.04846	0.6
99.04444	0.6
101.93692	0.6
103.84962	0.5
105.07017	5.5
107.04933	2.1
107.08578	5.6
108.62801	0.5
109.02849	0.8
109.06515	2.2
109.10153	5.0
111.08072	1.0
111.59032	0.6
115.05482	0.8
117.07047	1.5
119.08564	5.0
121.02807	0.8
121.06513	1.3
121.10141	4.0
123.04427	2.1
123.08060	1.2
123.11707	0.9
125.06004	1.7
127.05454	0.5
129.06995	1.3
131.04881	0.7
131.08546	2.5
133.06490	2.1
133.10129	2.9
134.03606	0.7
135.04439	1.4
135.08055	1.6
135.11671	2.8
137.05977	1.3
137.09599	1.3
137.13268	0.9
139.11215	0.7
141.05414	0.7
141.23430	0.6
142.07729	0.7
143.08551	2.1
145.10121	2.7
147.08063	1.2
147.11676	2.9
149.05959	0.9
149.09575	1.7
149.13239	1.1
151.03944	0.6
153.05482	1.0
156.09218	0.8
157.06511	0.7
157.10136	2.4
159.04468	0.8
159.08105	0.6
159.11690	2.7
161.02322	2.4
161.05995	1.1
161.13327	1.0
163.03928	0.8
163.07559	1.1
163.11201	1.0
165.07005	1.0
165.09094	0.8
165.12750	0.7
167.07172	0.8
167.08549	0.8
169.06509	0.7
169.10085	0.7
171.11755	1.1
173.06061	0.9
173.13249	1.7
175.07460	3.3
175.11102	0.9
175.14848	1.8
177.12802	0.8
179.07146	1.2
181.08589	0.7
181.10153	1.3
183.11731	1.3
185.05998	0.9
185.13367	0.9
187.07539	0.7
187.11217	1.1
187.14777	1.6
189.01788	0.7
189.05550	0.7
189.16327	1.1
191.17931	0.6
195.02881	0.9
197.13263	0.7
199.14879	1.1
201.05434	0.7
201.16273	1.2
203.07031	0.8
203.17961	0.8
205.04895	1.1
207.02921	1.9
209.09557	1.2
212.08368	0.9
213.05406	1.7
214.05969	0.7
215.07030	0.9
215.10637	1.0
215.14313	0.7
219.02962	0.7
221.04321	0.7
223.14719	0.7
225.05539	0.8
229.04959	5.5
229.15840	1.0
231.06461	0.9
235.17203	0.7
237.09085	1.0
240.07851	1.2
241.04785	1.0
241.08530	1.0
243.06483	1.5
247.06021	4.8
255.06526	0.7
255.10001	1.0
257.04404	0.6
259.05850	1.1
265.08783	6.8
271.05890	0.7
283.09610	8.7
289.08585	0.9
293.04437	1.5
293.07813	0.7
301.10690	7.4
303.10083	0.9
305.04453	1.2
305.07813	0.7
307.05942	0.7
307.09680	0.8
310.04706	8.0
311.05289	1.3
317.08118	1.0
319.05859	0.7
321.07571	2.4
323.09006	0.9
324.06207	1.3
325.07053	16.9
326.07578	0.7
329.07904	0.8
331.09726	1.1
333.07538	0.7
334.08429	1.0
335.05618	0.7
335.09000	3.0
336.09711	0.7
337.06915	1.3
337.10638	0.9
339.08743	1.9
341.07986	1.0
345.07523	1.3
346.07935	0.8
347.09146	1.4
348.09927	0.9
349.06940	0.9
349.10718	1.1
356.10226	0.8
359.09079	2.3
361.10803	3.3
363.08478	5.3
363.12274	1.0
364.09402	1.5
365.10092	2.9
377.10071	5.6
379.11801	7.0
381.09570	11.6
381.14221	0.6
389.14139	1.9
391.11539	0.8
393.09439	1.7
393.13712	1.0
395.11285	5.0
399.12225	6.6
407.15125	1.1
407.33264	0.7
417.13269	20.0
418.13577	0.9
435.14340	100.0
435.32349	3.2
436.14655	4.1
453.14478	8.1
453.19058	26.6
453.33765	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	453.1538
Annotation	Urdamycinone B
Peak:m/z	Relative Intensity
53.03922	0.9
55.01849	1.6
55.05497	3.0
55.74732	0.8
57.03407	1.7
59.04976	1.2
67.05497	6.6
68.99796	1.3
69.03393	1.0
69.07036	2.7
71.04976	0.9
71.61907	1.4
75.04451	1.2
79.05457	3.4
81.03391	1.1
81.07038	7.8
83.04947	2.4
83.08582	2.7
85.02872	2.1
85.06530	1.6
88.12769	0.9
91.05441	3.7
93.03336	2.3
93.07026	4.2
95.04935	3.4
95.08602	6.2
97.02889	1.2
97.06515	1.3
105.03352	2.1
105.07011	5.4
107.04922	3.2
107.08625	4.2
109.02868	0.9
109.06470	2.6
109.10150	4.8
111.99585	1.0
117.06986	2.4
119.04924	1.6
119.08564	7.1
121.02850	1.2
121.06470	2.0
121.10128	2.7
123.04388	2.6
123.08055	1.1
125.09578	1.2
127.11187	0.8
128.06184	1.3
129.06967	2.3
130.00526	6.8
131.08517	3.4
132.00224	1.6
133.02782	0.9
133.10086	2.9
134.03638	1.2
135.04381	2.1
135.07999	1.4
135.11649	3.0
137.02306	1.8
138.01077	4.1
140.00702	1.6
142.07848	0.8
143.08527	2.1
145.06386	1.0
145.10078	3.5
147.04454	1.5
147.08012	2.3
147.11636	3.3
149.02327	1.8
149.09538	2.6
151.07518	1.7
157.06441	1.2
157.10109	1.9
159.07971	2.8
159.11668	1.3
161.02327	6.2
161.09569	1.0
161.13234	1.0
163.03851	1.8
163.07443	1.3
163.11092	1.3
167.06970	0.8
169.06430	2.0
169.10039	1.4
171.11594	1.8
173.02284	1.7
173.05969	1.3
173.13237	1.2
175.03918	1.2
175.07555	5.2
175.14801	1.1
177.00783	2.6
177.05507	1.3
179.08418	0.9
179.10625	0.9
181.06473	1.6
187.03893	1.6
187.07530	1.6
187.14665	1.2
189.01805	6.5
191.03380	2.4
191.89987	0.9
193.01256	1.4
194.00040	10.2
195.01932	2.7
195.08014	0.9
195.99696	3.5
197.01413	1.0
197.13226	0.9
199.14836	1.1
200.04652	2.4
201.01732	0.9
201.05402	1.2
201.16347	1.2
203.03320	3.6
203.06987	1.3
205.00244	1.3
205.04819	1.1
207.02898	8.2
211.02296	3.3
211.14650	1.1
213.05496	1.2
215.03293	1.1
215.06955	3.4
217.04890	1.7
218.05597	2.3
219.02792	2.7
221.04471	1.8
229.04942	1.2
233.07828	1.0
236.06679	1.6
243.06508	13.5
245.04341	1.2
245.07840	0.9
247.05972	3.4
253.04907	1.3
253.19508	0.9
261.07437	10.5
279.00885	1.4
279.06424	2.0
281.00613	1.1
283.05606	0.9
283.92023	1.2
285.08981	1.0
285.91858	5.2
288.07709	1.3
289.08624	2.1
295.06021	1.7
297.07434	2.0
299.05481	1.6
303.10080	1.4
303.92889	2.5
305.04404	4.1
305.07767	1.2
307.09424	1.6
309.07443	1.4
309.11197	1.2
310.04727	1.6
311.05478	4.9
311.08710	1.4
316.07181	1.2
319.05771	1.5
321.07187	1.6
321.10831	1.0
323.05481	12.3
323.09106	1.9
325.03522	2.1
325.06924	6.0
325.10434	1.6
327.04941	5.2
331.09555	2.5
333.07404	2.5
335.05255	2.2
335.09158	2.2
337.07025	5.9
339.08615	1.7
341.06534	5.8
344.06729	1.0
346.08170	1.2
347.09018	2.1
349.06696	1.4
349.10583	2.1
351.08612	5.0
353.06219	2.8
353.10150	1.9
355.08069	1.2
359.09103	5.7
361.10583	2.0
363.08426	4.8
364.09427	1.6
365.09998	2.8
367.07733	1.2
377.10156	46.4
378.10468	2.1
379.08041	1.4
379.11810	11.1
381.09525	13.1
393.13104	3.9
395.11224	100.0
396.11658	1.8
397.12866	1.8
407.14557	3.2
417.13174	2.2
435.14059	14.2
435.32559	2.5
436.14572	1.4
452.93347	30.1
453.15231	74.2
453.33936	7.9
453.93195	2.2
454.15308	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	453.1536
Annotation	Epimedokoreanin A
Peak:m/z	Relative Intensity
55.01859	1.3
55.05485	3.3
57.03410	2.2
57.07043	1.0
59.04987	1.0
65.03951	0.9
67.05489	7.4
69.03411	2.4
69.07041	3.8
69.09956	1.0
70.30611	4.0
71.04963	1.0
75.04457	1.5
79.05469	5.1
81.03339	1.0
81.07051	8.5
83.04952	2.5
83.08592	2.4
83.69125	0.9
85.02895	1.8
85.06490	1.1
91.05476	6.4
93.07030	5.7
95.04946	2.1
95.08603	6.0
97.02869	1.3
97.06487	1.8
97.10162	1.0
105.03367	1.5
105.07018	5.1
107.04907	3.7
107.08585	5.8
109.02814	1.3
109.06483	2.3
109.10142	5.9
111.08013	1.4
116.80556	1.0
117.06977	2.2
119.08588	8.0
121.02808	1.7
121.06425	1.4
121.10104	3.5
121.61655	0.9
123.04372	3.7
123.11677	1.7
125.09576	1.8
127.03844	1.2
129.06984	2.1
130.00555	5.1
131.08534	4.3
132.00266	2.1
133.02777	1.5
133.10065	4.0
134.03566	1.9
135.04358	4.2
135.08014	1.7
135.11664	2.2
137.02289	2.1
138.01047	4.6
143.08527	2.0
143.52350	1.1
145.06418	1.8
145.10034	3.5
147.04350	1.9
147.07979	3.0
147.11638	2.4
148.20020	1.0
149.02248	1.4
149.05948	1.1
149.09558	2.4
149.13197	1.0
153.05318	1.4
155.08498	1.4
157.10107	2.4
159.07988	2.0
159.11642	2.2
161.02292	5.9
161.13156	1.4
163.03854	2.0
169.06445	2.6
171.11653	1.0
173.05887	2.0
173.09616	1.2
175.07558	5.5
175.11014	1.1
177.00755	2.2
177.05400	1.3
185.13213	1.6
187.03940	1.2
187.07506	2.2
189.01833	7.1
191.03305	3.3
194.00064	8.6
195.01923	3.9
195.99661	2.1
197.05937	2.3
200.04591	1.8
201.01842	1.0
201.05360	1.3
201.16354	1.2
203.03423	4.6
205.00284	2.3
205.04842	2.1
205.08511	1.5
207.02881	10.5
209.04295	1.1
211.02342	2.0
213.05386	1.7
213.16385	1.3
215.06927	2.7
217.04904	2.4
217.15878	1.4
219.02837	2.6
219.06323	1.3
221.04366	1.2
225.03723	2.0
225.05663	1.2
229.15689	1.1
231.06535	1.5
236.06706	1.9
243.06482	13.0
245.04413	1.5
247.05904	4.1
253.19595	1.0
259.05930	1.1
259.09644	1.4
261.07516	13.6
265.04776	1.3
265.08633	1.0
279.06372	1.4
281.04544	1.1
283.91922	1.3
285.92072	5.4
288.07623	1.2
289.08557	1.7
299.05276	1.3
303.10077	1.3
303.92859	2.7
305.04529	4.5
307.02136	1.2
307.09622	3.0
309.03781	2.3
310.04672	2.2
311.05426	5.3
316.07159	2.1
319.05826	3.1
323.05438	11.6
325.03662	1.3
325.06915	6.5
325.10446	1.8
327.04880	6.3
331.09381	1.9
333.07526	1.4
334.08066	1.8
335.05276	1.6
335.08926	2.5
337.07217	5.3
337.10391	1.4
338.07556	1.2
341.06451	5.0
347.09061	2.0
349.06781	1.6
349.10626	2.3
351.08429	2.7
352.09183	2.6
353.06351	3.3
353.10110	3.2
359.09064	5.8
361.10590	1.4
363.08249	4.7
364.09143	2.8
365.10016	3.9
366.10483	1.2
367.11478	1.4
377.10150	45.4
378.10431	1.7
379.11823	12.6
381.09500	14.4
383.92630	1.0
393.13672	4.8
395.11218	100.0
396.11414	3.3
397.12430	1.4
407.14828	4.6
435.14020	16.5
435.32565	1.8
452.93396	27.8
453.15182	79.9
453.34091	9.9
453.93332	1.7
454.15463	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	453.1393
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.90200	0.5
53.03936	1.0
55.01867	2.1
55.05494	1.3
57.03425	1.5
61.02922	2.8
65.03947	0.8
67.05502	1.1
68.99776	1.6
69.03420	5.4
69.07068	1.0
69.68271	1.4
69.68703	2.5
70.06596	2.7
70.06935	0.6
71.04987	1.0
72.08159	4.3
73.02913	1.3
81.03407	3.2
83.04968	0.8
84.04494	1.0
84.08131	3.1
85.02898	19.1
86.06060	0.7
86.09681	0.9
87.04461	0.7
91.05463	2.2
93.03396	0.7
95.04947	2.1
97.02886	7.2
98.06072	1.0
98.09685	1.3
99.04442	1.5
101.06008	0.8
103.23572	0.6
107.04939	1.5
109.02884	3.2
111.04442	2.3
112.07585	0.9
114.10300	0.8
115.08749	0.4
119.04945	5.0
120.08066	0.7
121.02860	0.9
123.04421	48.3
124.04778	1.3
125.02267	0.5
127.03904	5.3
128.11845	1.0
129.10181	0.8
135.04420	2.0
137.02341	1.9
137.05984	1.0
139.03894	100.0
140.04231	1.5
140.07034	1.3
143.04970	0.6
145.04950	2.1
146.11784	0.6
147.04402	31.1
148.04782	1.1
151.03897	3.9
152.07082	0.7
157.06473	0.9
161.05972	3.0
162.09068	1.1
163.03908	6.8
164.07043	0.6
165.04129	1.0
165.05476	13.2
165.06856	0.8
169.05013	1.2
171.08029	0.7
175.03983	0.5
177.05464	2.1
179.07018	1.4
180.10149	0.9
181.04959	3.6
188.03831	0.8
189.05473	1.8
199.07605	1.0
201.05417	0.8
205.04999	3.7
207.06544	2.5
208.09679	1.3
217.04887	1.1
218.11742	1.9
227.07014	8.5
228.08775	1.4
235.06017	1.0
235.14374	1.0
245.08167	1.0
246.09616	0.9
247.06137	1.4
255.06497	5.1
265.07166	1.4
273.07571	10.4
273.12198	1.2
283.08130	1.6
290.13391	0.7
291.08618	25.0
291.13498	5.3
291.16721	1.3
301.09305	3.4
314.06973	0.7
315.08582	0.9
357.09393	0.9
360.72446	0.6
417.16574	0.7
435.17709	1.5
453.23773	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	452.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.05496	0.7
63.65149	0.5
67.05502	1.0
69.07079	1.3
71.50282	0.5
71.62474	0.8
77.03942	0.6
79.05491	3.5
81.07059	2.6
83.08604	0.9
87.04443	1.3
89.06023	7.8
91.05462	1.9
93.07051	3.1
95.04950	2.2
95.08612	1.7
98.98475	1.2
103.05450	2.8
105.07022	100.0
106.07372	2.0
107.08577	0.8
119.08515	1.3
120.04596	0.5
121.06503	11.8
121.10129	1.3
131.08574	0.9
133.08623	4.1
145.10176	0.7
147.08067	3.3
149.09630	1.0
165.09105	5.7
183.10033	0.5
209.13339	1.6
216.38918	0.6
223.11172	0.9
227.12772	39.2
228.13237	0.8
331.18927	4.9
337.27328	2.5
383.55566	0.5
395.11060	1.0
396.11584	6.1
437.12079	0.7
438.13080	0.9
452.13824	3.9
452.27209	0.8
452.32712	1.2
453.15405	4.2
453.33957	0.7
470.15466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
51.02391	0.1
53.00304	0.0
53.03940	0.5
55.01865	0.1
55.05506	0.2
57.03435	0.2
59.04956	0.0
61.02921	0.1
63.02353	0.1
65.03925	0.8
67.01859	0.1
67.05493	0.2
69.03423	2.0
69.07056	0.1
69.31901	0.4
70.06580	0.1
71.01340	0.1
71.04624	0.1
71.04988	0.7
72.08143	0.2
73.02901	0.1
74.09728	0.0
78.85012	0.0
79.05482	0.2
81.03411	2.6
81.07056	0.3
83.01337	0.1
83.04969	0.2
83.08593	0.1
84.08128	0.0
85.02897	3.0
85.06531	0.1
86.03193	0.1
86.09690	0.1
91.05472	9.0
92.05797	0.1
93.07053	0.3
95.04959	0.2
95.08598	0.3
97.02883	4.6
97.06519	0.2
97.10144	0.1
98.03239	0.0
99.04446	3.3
100.11244	0.1
103.03931	3.8
104.04233	0.0
105.07008	0.3
107.04944	0.1
107.08570	0.2
109.02868	2.6
109.06511	0.1
109.10133	0.2
110.02362	0.1
111.04401	0.0
111.08107	0.1
114.10317	0.1
115.03912	0.0
117.06984	0.1
119.04932	21.8
120.05247	0.4
121.02823	0.0
121.10139	0.2
123.04424	0.1
123.08093	0.1
123.11702	0.1
125.02390	0.0
125.05957	0.1
127.03905	4.2
128.04288	0.0
131.04829	0.1
131.08524	0.1
133.10130	0.1
135.11723	0.1
137.05891	0.1
137.09546	0.1
139.03928	0.1
139.07567	0.0
140.07140	0.1
141.06972	0.1
142.08650	0.1
143.08528	0.0
145.04947	0.7
145.10133	0.2
147.04393	100.0
148.04724	1.7
148.05916	0.1
149.09558	0.1
157.06516	0.0
157.10118	0.1
159.08037	0.1
159.11697	0.1
161.06067	0.0
161.09503	0.0
161.13181	0.1
163.03969	0.1
163.05962	0.1
163.07343	0.1
163.11188	0.1
165.05461	1.9
167.07042	0.2
171.11621	0.1
175.14838	0.1
177.05463	0.1
187.06000	0.2
187.07472	0.1
189.12741	0.0
192.10155	0.1
205.08688	0.1
207.06456	0.1
210.14886	0.1
211.07663	0.1
213.05597	0.1
215.07005	0.1
227.07086	0.1
231.06528	0.1
255.06538	0.1
259.09729	0.1
265.18442	0.0
271.08081	0.1
273.07608	0.1
291.08606	4.5
292.08859	0.1
309.09665	1.6
311.05402	0.0
313.07196	0.0
330.16895	0.1
333.09390	0.1
351.10736	0.7
365.09869	0.1
393.12595	0.1
417.11871	0.3
435.12863	0.1
435.27405	0.1
435.32996	0.1
453.13983	1.8
453.20575	0.2
453.34293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3413
Annotation	Stellattasterenol
Peak:m/z	Relative Intensity
55.05508	54.2
56.52338	7.4
57.07051	18.9
67.05502	43.7
69.06776	6.5
69.07068	77.5
69.89206	14.9
69.89605	41.9
71.08590	11.8
79.05472	14.2
81.07049	93.6
82.61761	7.0
83.04957	12.4
83.08611	48.9
89.15190	7.6
91.05452	11.9
91.40214	7.9
93.07045	40.1
95.08598	100.0
97.10149	33.9
98.21515	8.7
99.04431	22.1
105.06992	20.7
107.08583	37.6
109.06480	17.0
109.09468	8.0
109.10131	59.4
110.34455	7.9
111.04435	15.6
111.11736	15.3
113.00001	10.4
119.08534	21.3
121.10124	29.1
123.11701	21.6
125.05985	97.4
127.03891	35.9
131.08511	8.3
133.10089	16.0
135.11659	28.6
137.06010	9.1
137.13196	19.6
139.03940	8.4
139.07516	12.4
139.46014	8.6
141.05467	12.9
143.08537	9.8
144.08070	46.4
145.10094	26.4
147.11655	22.9
149.13248	12.4
153.05428	27.0
157.10161	7.7
159.11726	19.0
161.13242	8.5
163.11150	10.9
163.14803	9.6
165.09091	11.7
169.02638	13.6
173.13351	9.5
175.11142	19.1
189.08961	9.0
191.10667	9.0
191.17967	20.9
200.83325	8.2
201.16350	9.4
205.12273	10.6
233.15282	50.5
239.52399	8.5
362.38702	10.7
397.30838	8.8
415.32043	67.6
433.33011	64.1
451.31836	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02370	0.4
53.03932	0.8
56.07762	0.2
57.07064	0.3
64.85957	0.3
69.03409	0.3
69.07066	0.3
70.87223	0.3
70.97932	0.7
71.92704	0.3
73.74044	0.3
77.03926	0.6
79.05482	3.6
81.07056	0.8
87.04456	1.0
89.06030	6.7
91.05460	1.7
93.07036	2.5
95.04960	1.9
95.08600	1.0
102.41972	0.3
103.05445	3.4
105.07022	100.0
106.07342	1.7
107.08570	0.5
109.10165	0.5
119.04930	0.4
119.08575	0.7
121.06494	11.7
123.11659	0.3
126.14583	0.3
129.07016	0.5
130.08646	0.3
131.08524	0.6
133.08601	4.2
133.10130	0.7
139.07526	1.0
147.08054	2.7
149.09573	0.6
165.09103	5.2
167.10741	0.4
173.09692	0.3
183.10191	0.3
209.11554	0.6
209.13257	1.3
222.75050	0.3
223.11188	0.7
225.12686	0.3
227.12764	45.2
228.13126	1.2
235.13147	0.4
242.05470	0.3
310.04489	0.4
331.19003	4.5
380.12024	0.8
395.11276	0.6
396.11615	5.8
397.11774	0.4
434.16931	0.5
452.17834	2.6
452.27377	0.4
452.32864	0.6
453.33661	0.9
473.42532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01867	0.4
55.05507	1.4
56.20362	0.3
56.96539	0.4
57.03424	1.0
57.07087	0.3
59.04985	0.5
61.02931	0.6
63.07638	0.3
65.03944	0.4
67.05500	1.4
67.34324	0.3
69.03429	3.3
69.07068	1.5
70.06576	0.9
71.04981	1.1
71.62611	0.3
71.69127	0.3
72.08141	0.8
73.02902	0.6
79.05497	1.7
81.03413	2.8
81.05785	0.4
81.07051	3.2
83.04971	0.9
84.04482	0.6
84.08121	1.1
85.02898	6.8
85.03418	0.4
85.06546	1.0
87.00809	0.3
87.04449	0.9
91.05481	3.3
93.07033	2.2
94.06561	0.5
95.04964	1.2
95.08593	2.2
96.08126	0.9
97.02885	2.7
97.06523	0.7
98.91661	0.3
99.04433	2.0
103.03944	1.0
105.03477	0.3
105.07008	1.8
106.06554	1.3
107.04933	0.7
107.08592	2.1
108.08122	0.7
109.02191	0.4
109.02873	2.7
109.06493	1.0
109.10150	1.7
111.08025	0.4
111.11674	0.3
115.03909	0.3
115.05451	0.4
116.05019	0.5
117.05740	0.5
117.07001	0.5
118.06535	2.1
119.04965	0.3
119.07285	0.6
119.08575	1.2
120.08102	11.4
121.06541	0.4
121.10143	1.6
122.06052	0.5
122.09658	0.7
123.04456	1.8
123.08075	0.6
123.11703	0.9
124.07582	6.3
125.05959	0.4
125.09615	0.6
126.09106	0.9
127.03909	7.4
131.08527	0.6
133.10132	1.5
134.06006	4.6
135.08049	0.5
135.11726	0.7
136.07573	2.7
137.02296	0.6
137.05981	1.1
138.05498	1.0
138.09100	0.8
139.07501	0.3
143.08563	0.4
145.04892	1.6
145.08987	0.3
145.10095	0.7
146.05956	2.2
147.04391	1.2
147.06798	2.2
147.07956	0.6
147.11650	1.2
148.07561	9.3
149.05908	0.5
149.09648	0.5
150.09120	1.1
151.07545	0.7
152.07097	1.7
153.01828	2.7
153.05476	1.0
157.10066	0.6
159.08026	0.4
159.11668	0.7
161.13280	0.6
163.03889	1.8
164.07057	54.4
165.07585	1.1
166.08636	2.0
167.07024	1.1
169.08701	0.3
173.13127	0.3
174.09088	0.3
175.14841	0.5
177.05473	0.5
183.02977	0.3
187.06030	0.6
191.08226	0.4
195.02884	0.4
195.11699	0.4
200.10693	0.6
211.14766	0.4
214.10985	0.5
215.15398	1.9
216.10214	1.3
217.09769	0.4
220.94708	0.3
225.13947	0.4
226.12306	0.6
228.10283	0.3
229.13336	1.0
243.14922	6.5
245.16469	2.9
253.13333	1.0
254.11728	0.8
271.14398	19.4
271.16901	1.1
288.05582	0.3
289.07092	2.3
289.15442	100.0
290.15811	3.9
297.10928	0.3
301.06979	0.5
307.12692	0.3
397.27435	0.4
409.15671	0.4
433.30780	0.3
448.90903	0.3
449.39325	0.3
451.21109	1.8
451.32181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1748
Annotation	Cajaisoflavone
Peak:m/z	Relative Intensity
52.34636	1.0
55.05509	2.7
62.65647	1.2
67.05509	5.3
69.03424	2.3
69.07066	4.2
69.51323	9.8
71.04988	1.6
73.29646	1.0
79.05496	3.9
81.03423	1.5
81.07050	8.0
83.04990	1.9
83.08616	1.6
85.02883	1.8
89.03896	1.5
91.05479	2.4
93.07056	3.2
95.04955	2.5
95.08617	4.7
97.10255	1.1
98.20770	1.9
99.04479	1.6
102.56513	0.9
105.07045	3.5
105.74779	1.2
107.08593	4.5
109.06601	1.7
109.10165	4.6
115.33259	1.1
116.98573	1.4
119.04947	1.2
119.08606	4.4
121.06473	1.2
121.10152	2.5
123.08009	1.4
127.03841	1.9
129.07030	1.4
129.37411	1.0
132.31306	1.2
133.02875	1.7
133.10162	2.4
134.03668	2.0
134.99638	1.4
135.04427	2.2
135.11650	1.4
137.05992	3.2
145.10124	2.6
147.11742	1.2
151.03917	2.0
151.07619	1.1
153.05544	1.4
159.11678	2.6
163.03979	1.4
163.11217	1.5
165.05478	2.4
187.07579	1.8
188.71596	1.1
213.05568	1.6
221.09596	1.2
225.09068	1.9
251.07097	2.6
253.08688	1.7
267.10147	2.1
287.09015	1.8
291.10153	2.1
301.08841	2.0
310.04761	2.9
311.05600	1.3
318.08984	1.3
319.09732	1.7
323.02692	1.3
325.06992	6.7
333.07645	2.7
333.11307	1.6
337.07025	1.9
345.07187	1.3
345.11252	1.6
346.08517	3.8
347.09198	1.8
348.09979	1.7
349.10883	2.0
351.08612	3.1
352.09613	1.5
357.11346	2.7
359.08975	1.4
361.10712	9.0
361.14542	1.4
363.08731	1.8
364.09558	4.4
365.10391	1.6
367.12048	1.6
373.10739	2.3
375.08093	1.5
375.12433	4.1
377.10284	4.5
379.11765	19.2
380.08713	1.6
385.10803	4.6
387.12051	2.6
391.11798	4.2
395.11371	9.1
397.14453	1.6
399.12445	1.6
400.13089	2.7
402.67654	1.1
403.11908	4.9
415.15616	6.4
418.14093	12.8
426.17157	1.2
433.16534	94.4
434.17139	2.4
451.17618	100.0
451.31900	4.1
452.17981	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	451.175
Annotation	Artonin T
Peak:m/z	Relative Intensity
55.05501	1.3
57.07068	0.6
58.25855	0.6
66.10222	0.6
67.05491	2.8
69.07060	1.5
69.61883	5.4
79.05483	1.1
81.07070	3.0
85.06528	1.1
91.05524	0.8
93.07033	0.7
93.08739	0.6
95.08605	1.9
95.89041	0.7
105.03384	0.6
105.07037	1.5
107.04980	0.7
107.08588	1.9
109.10173	1.4
118.98300	0.7
119.08573	1.0
121.10158	0.7
121.21767	0.7
123.04449	0.7
123.11714	1.0
123.68996	0.6
129.07037	0.9
131.04900	1.1
131.08525	0.9
133.10133	0.7
134.03709	0.8
139.20346	0.6
145.06412	0.7
151.03911	1.4
153.05457	6.5
155.08708	0.8
159.04433	2.7
159.11749	1.0
161.13245	0.8
163.03938	0.7
165.05475	1.7
187.07532	2.7
189.05447	1.4
199.14838	0.8
213.05478	10.5
218.22829	0.7
231.06551	1.1
240.09555	0.7
249.08955	0.7
269.04715	0.8
286.91949	0.6
307.09659	0.7
309.03864	0.7
309.07858	0.8
310.04697	1.6
318.08914	0.9
321.07629	1.1
322.04834	0.8
325.07166	2.1
336.06357	0.8
336.10031	1.3
337.06985	3.0
337.10559	0.8
339.05185	1.1
346.08298	7.3
347.09061	0.9
349.07047	1.6
350.07660	1.1
351.08621	2.2
361.10706	7.5
364.09369	9.7
365.10178	1.9
367.11710	10.0
379.11743	42.4
391.11853	1.0
395.11264	9.7
400.12927	1.0
403.12265	1.2
409.12805	0.9
415.15985	1.0
418.14182	0.7
433.16431	6.2
433.31485	1.4
451.17523	100.0
452.17923	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	451.1745
Annotation	Cajaisoflavone
Peak:m/z	Relative Intensity
55.05459	1.6
56.96510	1.8
57.03369	0.6
59.04938	0.5
67.05497	3.4
69.03382	0.9
69.07017	1.2
69.89697	3.3
71.04926	2.0
71.05265	0.5
73.06518	1.1
79.05430	1.9
81.03305	0.5
81.07061	3.3
83.04906	1.8
85.02894	4.2
91.05415	2.2
93.07005	1.1
95.04938	1.1
95.08526	1.9
97.02825	0.6
98.20823	0.8
98.97516	2.2
105.03334	0.6
105.06958	1.2
107.08538	1.5
109.06487	1.0
109.10079	1.7
110.50282	0.7
110.97516	0.9
111.04386	1.8
116.98556	1.6
119.08538	1.2
121.02789	0.6
121.10094	0.7
123.07994	0.8
123.11630	0.7
125.05933	0.5
127.03888	0.7
128.98573	2.4
129.05418	1.2
131.00150	1.1
131.08566	0.8
133.02820	1.4
133.10034	1.1
134.03587	1.4
134.99583	1.8
135.04333	0.6
135.07980	0.7
137.05910	1.9
139.07449	0.7
143.08574	0.8
145.06500	0.5
145.10065	0.8
146.99629	3.5
147.04453	0.5
147.06516	0.7
147.07973	0.7
147.11584	0.6
149.01170	0.6
149.05934	0.7
150.03032	1.0
151.03874	3.0
153.05421	1.1
157.06372	0.5
159.04327	0.8
159.07927	0.4
159.11629	0.7
161.01176	1.1
163.03877	1.1
165.00638	0.6
165.05492	2.5
167.06937	0.7
170.99657	0.9
171.07979	0.7
173.09666	0.6
175.07527	1.2
183.07973	0.9
187.07401	0.8
189.00706	5.5
189.05362	1.2
195.11661	0.6
197.09546	0.5
199.07613	1.0
207.01743	1.2
208.08627	0.8
211.07497	1.6
212.08257	0.6
213.05492	3.3
219.08031	0.9
221.09641	0.6
223.11143	0.6
225.05492	1.3
225.09026	1.4
226.09933	0.7
231.01784	0.8
231.06560	0.6
239.06935	0.7
239.10765	1.3
241.12225	1.2
247.07468	0.8
251.07016	2.3
253.08578	1.2
261.08911	0.6
262.09763	0.7
263.10483	0.6
267.10101	1.7
269.08121	1.6
273.09317	0.5
276.07785	0.5
277.08441	0.7
282.05200	0.6
289.08737	1.1
293.08148	0.9
293.11893	0.7
297.00833	0.5
301.08670	1.2
301.12292	0.9
305.01859	0.8
305.08237	1.4
305.11581	0.6
307.09607	0.9
310.04752	4.0
318.08853	1.6
319.09604	1.5
321.07684	1.2
322.04596	0.8
323.02875	1.9
324.06357	0.6
325.07037	9.7
329.08124	0.9
329.11743	1.9
331.09470	1.0
332.10406	0.5
333.07520	1.0
333.11130	2.2
334.08200	1.4
335.09155	1.1
336.06296	1.0
336.09940	1.0
337.06894	1.7
337.10544	1.2
343.09622	0.8
343.13379	0.7
345.07498	0.6
345.11191	1.0
346.04465	0.9
346.08252	4.8
347.09021	2.0
347.13000	1.4
348.09918	1.7
349.06915	0.7
349.10785	2.1
350.07965	0.9
351.08539	2.7
357.11060	2.9
358.08167	1.3
359.09256	0.8
360.09930	0.6
361.06848	1.0
361.10736	8.5
361.14664	0.8
362.07852	2.0
363.08240	1.1
363.12161	2.0
364.09445	6.2
365.10095	1.4
367.11670	2.0
371.13031	1.2
372.09222	0.7
372.13684	1.0
373.10602	2.4
375.08301	0.7
375.12341	5.0
376.09338	1.5
377.10248	4.5
378.10751	1.2
379.11719	20.0
380.12100	0.7
383.12634	0.8
385.10754	6.3
386.11627	0.7
388.09415	1.2
389.13873	1.4
391.11591	4.9
393.13242	1.0
395.11688	4.1
397.14273	1.6
399.12122	1.4
400.13065	5.8
401.13629	1.7
403.11768	6.3
405.12820	0.9
415.15359	8.3
415.31958	0.8
417.13449	1.5
418.14120	17.0
433.16461	100.0
434.16745	4.3
451.07352	3.3
451.17511	99.0
452.07816	1.0
452.18002	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	451.1743
Annotation	Cajaisoflavone
Peak:m/z	Relative Intensity
55.05463	0.9
67.05460	1.0
69.03370	1.0
69.07021	1.0
71.04923	1.5
71.63047	0.7
79.05444	1.2
81.06993	1.7
81.72718	0.4
83.04910	1.9
85.02890	4.3
89.03893	0.6
91.05422	0.9
93.06977	1.7
95.04910	0.6
95.08540	1.8
97.02847	0.8
97.69214	0.5
105.06960	1.3
107.04859	0.7
107.08533	0.9
109.02850	0.6
109.10095	0.9
111.04395	1.0
117.03312	2.2
117.06934	0.5
119.08501	0.6
121.06482	0.7
121.10071	1.2
123.11658	0.6
127.03845	0.9
129.05423	1.1
133.10085	0.6
134.03592	2.6
135.04245	0.4
135.07964	0.5
135.11635	0.5
137.05919	0.8
137.13268	0.7
145.10081	0.7
147.06427	0.7
151.03850	1.3
153.05406	0.8
161.13264	0.6
163.03893	0.6
167.06944	1.5
173.13109	0.6
175.07492	0.5
177.01826	0.6
187.07495	0.5
195.02919	2.3
209.05992	0.6
213.05431	0.8
218.05679	0.6
229.04970	1.0
230.05351	0.5
251.06870	0.5
253.04898	2.9
254.05742	1.2
261.09015	0.8
263.07129	0.6
265.05042	0.7
277.08447	0.8
278.09488	0.7
281.04507	0.7
282.05154	2.1
289.07990	0.7
293.04559	0.9
298.04559	0.6
300.05948	0.5
305.08136	1.1
306.08817	0.7
309.04013	0.7
310.04694	38.4
311.05420	3.2
313.07104	1.5
317.07977	0.6
321.07263	0.7
321.11172	0.7
323.09262	0.8
323.12793	1.7
324.06122	1.1
325.07034	100.0
326.07477	2.4
333.07486	1.0
334.08365	2.2
335.09033	1.4
339.08771	1.6
344.06796	2.1
346.08170	0.7
348.06161	0.9
349.10632	5.7
350.07672	0.7
351.08801	0.7
351.12360	4.6
353.10229	3.2
359.09207	1.7
361.10757	1.0
362.07816	6.7
363.08521	1.3
364.09433	1.5
365.10294	1.9
367.11758	9.8
375.12317	0.6
377.10165	30.5
378.10904	0.9
379.11856	4.3
381.13400	1.4
391.11920	0.7
393.13266	1.4
395.11295	11.8
400.12869	0.7
405.12985	0.7
409.13058	0.8
415.15338	1.2
418.14059	2.1
423.17737	0.9
433.11496	0.5
433.16992	14.4
433.32724	1.0
451.17517	98.3
452.17889	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1748
Annotation	Artonin T
Peak:m/z	Relative Intensity
50.04370	0.4
55.05432	0.7
65.03854	0.6
67.05391	1.9
67.05779	0.8
69.06985	1.0
69.94158	2.6
71.04840	0.5
79.05351	1.3
81.06920	2.0
83.04888	0.9
83.08462	0.5
91.05396	1.0
93.06906	1.3
93.64450	0.4
95.04890	0.7
95.08531	0.8
97.06416	0.4
98.21461	0.9
105.03258	0.7
105.06874	1.3
107.04867	0.7
107.08499	1.0
109.10056	0.9
117.06960	0.5
119.04828	0.7
119.08488	1.0
121.02633	0.4
121.10004	0.6
123.04269	0.5
123.11564	0.4
124.70973	0.4
125.05869	0.5
129.06830	0.4
131.04825	0.5
131.08447	0.7
133.02699	1.3
133.10011	0.8
134.03520	1.0
135.04251	1.4
135.11557	0.6
137.05911	2.0
140.70590	0.4
141.06844	0.4
143.08488	0.7
145.10017	0.8
147.11531	0.6
150.03033	1.0
151.03905	3.1
153.05350	0.5
153.06757	0.4
155.08405	0.9
159.04297	0.5
163.03735	1.4
165.05476	2.0
165.06662	0.6
167.08470	0.6
171.07901	1.0
173.05611	0.5
178.07590	0.6
183.07970	0.5
185.05876	0.6
185.13049	0.6
187.03831	0.4
187.07420	0.8
189.05450	0.5
191.98300	0.4
193.10098	0.8
195.08011	0.5
199.07466	0.9
200.04800	0.5
202.07669	0.5
207.07895	0.7
209.09435	0.6
211.07353	1.4
212.08229	0.9
213.05486	2.8
215.03220	0.6
219.08057	0.5
223.07515	0.5
223.11040	0.4
224.04449	0.6
225.05348	1.3
225.08948	1.7
226.09685	0.6
227.03217	0.7
229.04698	0.5
233.09660	0.7
239.06927	0.7
239.10634	1.0
241.04779	0.7
241.12233	0.6
245.09676	0.5
248.08170	0.7
249.08998	1.1
251.06987	2.2
253.04784	1.0
253.08461	2.0
263.10648	0.5
265.08292	0.5
266.09048	0.9
267.10007	2.1
269.08170	2.6
269.74802	0.4
270.04733	0.5
273.09174	0.8
275.06781	0.8
277.08508	0.8
289.07779	0.6
290.09213	0.6
291.06595	0.7
291.09845	1.0
293.07956	0.8
295.09137	0.5
297.08167	0.5
298.04642	0.5
301.08493	1.8
301.12106	1.1
302.09357	0.5
305.08023	1.2
307.06247	0.6
307.09634	1.1
309.96365	0.4
310.04761	6.5
311.04904	0.5
311.10541	0.6
313.07339	0.6
315.10184	0.6
317.08145	0.9
318.08777	1.0
319.09579	1.5
319.13004	1.0
321.07419	0.9
322.08127	0.7
325.03439	0.9
325.07034	13.1
325.10959	0.8
327.13693	0.6
329.08142	1.0
329.11761	1.3
331.13092	0.5
333.07465	1.1
333.11124	1.8
334.08206	0.7
335.09009	1.7
336.06204	1.4
336.09763	0.6
337.06989	1.8
337.10712	0.6
339.08917	0.7
341.08066	0.5
343.13223	0.9
345.11221	1.0
346.08383	5.0
347.08920	1.9
347.12744	1.2
348.06107	0.5
348.09888	1.1
349.06873	1.4
349.10760	1.5
350.07678	0.7
351.08374	2.1
353.10324	0.5
357.11282	2.8
358.08200	1.4
358.91058	0.4
359.08990	1.1
359.12854	0.8
360.09851	0.8
361.06900	0.8
361.10709	8.1
361.14563	0.5
362.07605	1.1
363.08450	1.3
363.12155	1.2
364.09418	6.7
365.10168	1.8
367.11642	1.5
370.08212	1.4
371.09058	0.7
373.10501	3.1
373.14639	0.5
374.11371	0.7
375.08267	1.1
375.12271	4.8
376.09418	1.4
377.10187	4.2
378.10840	0.5
379.11765	18.8
382.12152	0.5
384.09512	0.6
385.10764	5.8
386.11176	1.0
387.12018	0.7
388.09360	1.4
389.09842	0.7
389.14252	0.7
390.14774	1.0
391.11469	3.9
391.15747	0.4
393.13263	0.7
395.11499	2.2
397.14444	1.6
399.12338	1.0
400.13037	5.6
401.13632	0.9
402.10913	0.6
403.11719	7.4
404.11960	0.5
405.12955	1.0
405.17514	0.7
415.15399	7.0
416.15753	0.5
418.14093	14.7
433.16470	100.0
434.16708	3.1
451.17532	96.0
452.17886	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.175
Annotation	8-Prenyllisetin
Peak:m/z	Relative Intensity
55.15253	0.2
60.11562	0.3
60.18881	0.3
67.05412	0.5
69.06934	0.9
69.48986	2.5
72.21265	0.2
79.05394	0.5
81.06920	1.0
85.72031	0.3
91.05374	0.3
92.76558	0.3
93.06933	0.5
95.04895	0.3
95.08468	1.0
95.08991	0.3
98.50555	0.3
99.04350	0.3
105.06855	0.8
107.08468	0.5
109.10033	0.5
119.08402	0.7
121.10046	0.3
122.06652	0.2
125.05869	0.5
129.06888	0.3
133.10020	0.5
134.03491	0.6
135.11571	0.6
141.05325	0.9
145.09933	0.4
147.04243	0.3
150.97319	0.3
153.05440	7.9
167.06924	0.6
175.14706	0.3
179.64371	0.3
181.97888	0.3
229.04723	0.4
281.08148	0.5
297.07285	0.4
298.08261	0.4
309.07532	0.7
310.04745	4.2
310.08130	0.7
311.05453	0.4
322.04681	2.7
323.05508	0.5
323.09155	0.7
325.07028	3.8
336.10229	0.3
337.07010	7.1
337.11026	0.4
338.07816	3.8
352.09424	2.4
353.10315	1.5
362.07739	0.8
365.06442	1.1
365.10300	0.9
367.11703	0.8
377.09879	0.8
380.08862	18.5
381.09305	0.7
395.11227	100.0
396.11646	2.6
415.31741	0.8
433.16592	2.5
433.33228	2.7
448.50092	0.3
451.17560	8.8
451.33771	2.3
474.53864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1747
Annotation	Artonin T
Peak:m/z	Relative Intensity
62.65683	0.6
62.97789	0.6
67.05490	0.8
69.29075	0.6
70.87968	1.4
85.47701	0.6
95.20331	0.6
98.20883	0.8
105.03394	0.8
106.04118	0.7
122.03631	1.2
133.02809	0.9
134.03572	0.9
135.04416	1.8
137.05945	0.9
143.08597	0.7
151.03922	3.4
155.08470	0.7
159.04381	1.2
165.05447	1.8
165.09332	0.6
171.08012	0.8
185.06052	0.6
187.07445	0.8
198.06801	0.7
199.07468	0.9
211.07370	0.9
212.08281	0.7
213.05428	2.0
225.05431	1.3
225.09113	2.6
235.11055	0.8
238.06264	0.8
241.04922	0.9
248.08127	0.9
251.07014	2.4
253.08632	1.3
267.10251	1.9
269.08121	2.2
273.09204	0.8
277.08578	0.6
287.09348	0.7
290.09250	0.7
293.08197	0.6
301.08688	1.4
305.08179	1.0
305.11530	0.7
310.04797	1.6
318.08698	1.3
321.07281	0.9
325.07159	3.3
329.08249	1.3
329.11887	1.4
332.06882	0.8
333.11234	1.1
334.08383	1.0
335.08981	0.8
336.06277	1.6
336.09982	0.8
337.07126	0.8
345.07553	0.7
346.08365	4.8
347.09082	1.4
347.12808	1.4
348.09946	1.0
349.10620	1.7
351.08575	1.9
357.11139	2.6
358.08203	0.8
360.09961	1.0
361.10733	7.0
361.14670	0.7
363.12396	1.1
364.09265	4.7
365.10681	0.8
370.08109	1.0
371.08807	0.9
372.09521	0.9
373.10553	2.7
375.08514	0.7
375.12399	4.6
377.10257	1.4
378.11111	0.9
379.11694	19.5
382.11734	1.2
385.10593	5.2
387.16061	0.9
388.09473	1.0
389.13831	1.4
390.10580	1.1
390.15134	0.9
391.11636	3.7
397.14423	1.4
399.12427	1.3
400.12982	5.0
403.11685	6.6
404.11905	0.8
405.13287	1.4
415.15341	7.7
417.13324	1.1
418.14035	13.2
433.16431	100.0
434.16727	4.4
451.17477	78.4
452.17926	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	451.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
53.83392	0.4
55.01867	0.5
55.55251	0.4
59.46882	0.4
61.02908	1.0
67.15904	0.4
67.84335	0.4
69.03423	2.4
70.06580	2.9
71.04986	0.8
71.60511	0.5
72.08141	2.0
81.03416	2.1
84.04469	0.7
84.08141	0.9
85.02900	7.1
86.09692	0.6
87.04440	0.5
91.03960	0.4
91.05437	0.4
96.08125	0.5
97.02889	2.7
98.06059	0.5
99.04439	0.6
99.05584	0.4
107.04929	0.6
109.02866	2.3
110.06007	0.4
116.07058	2.0
119.04977	0.6
123.04382	2.1
125.07066	0.9
127.03903	100.0
128.04225	1.5
135.04372	1.0
136.06190	0.5
138.05487	1.9
139.03926	0.7
140.07089	0.6
145.04922	1.3
147.04373	3.2
151.03905	0.7
153.06619	0.5
156.04709	0.4
163.03900	0.8
179.03450	0.7
182.68633	0.4
195.07666	1.2
202.05275	0.9
213.08653	1.6
218.11734	0.8
219.08022	1.8
235.64554	0.4
237.02699	0.5
271.06107	0.7
289.06549	0.9
289.09637	2.2
324.10379	0.5
328.59674	0.4
451.13998	5.7
451.19617	0.6
451.23764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
53.64978	0.6
54.43783	0.7
55.01875	1.6
55.05503	1.0
57.03413	2.5
61.94850	0.7
65.03925	2.3
67.05486	1.2
68.99782	7.1
69.03426	3.6
69.07034	0.6
69.35258	0.7
69.59203	5.0
70.06574	2.4
71.04985	1.2
72.08149	3.7
73.02901	1.7
79.05508	1.0
81.03407	3.7
82.03130	0.6
84.08113	1.5
85.02895	13.4
85.06522	0.9
86.09696	1.9
87.04437	0.7
91.05487	1.1
93.07033	0.7
95.04963	3.2
97.02882	4.7
97.06541	0.9
98.09695	0.8
99.04437	3.0
103.03919	3.1
105.06991	0.7
107.04941	1.8
109.02892	4.9
111.04441	3.8
119.04966	2.1
120.08144	0.8
121.02859	100.0
121.10108	0.8
122.03175	0.9
123.04418	6.0
127.03902	10.6
135.04401	0.7
137.02361	0.7
137.06027	1.1
139.03899	5.5
145.04941	2.9
147.04422	3.4
149.02289	1.0
149.06059	0.9
151.03857	4.9
153.01811	9.0
163.03896	25.0
165.01825	8.4
165.05421	1.5
169.04930	2.1
171.02885	1.2
177.01843	7.7
177.05487	1.0
178.08670	1.3
179.03314	1.2
181.04918	1.6
183.02882	7.5
187.03905	0.8
187.05936	1.1
189.05487	1.2
191.03380	7.3
193.04955	5.4
195.02890	18.6
205.04945	9.7
207.02855	1.5
209.04424	1.4
215.03400	0.9
215.06870	0.8
217.04919	3.3
219.02873	19.1
223.05896	0.7
231.02908	5.2
233.04419	0.9
235.05998	2.6
243.02948	1.4
247.05948	0.8
247.10777	1.0
249.03964	6.2
253.07112	1.5
261.03897	8.3
265.11975	0.7
271.05844	1.9
271.08371	0.8
271.16800	0.7
272.05746	1.1
273.05997	1.1
279.04929	5.6
283.05954	9.0
285.07666	1.6
286.07913	2.9
287.08057	5.8
288.08218	4.1
289.08957	3.2
295.05951	6.6
297.06000	13.0
301.07004	1.1
309.07727	0.9
313.07040	16.4
315.07120	1.1
321.07645	0.8
331.08112	2.4
337.07043	2.9
342.46915	0.7
349.07047	1.8
355.08093	4.4
367.08102	9.0
379.08084	2.7
397.09299	5.3
415.10172	5.7
433.10699	3.7
433.16113	0.9
451.10205	3.3
451.16339	5.3
451.21890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1239
Annotation	Steppogenin 4'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01846	1.9
55.05486	1.3
57.03406	1.2
61.02899	1.6
64.15130	0.5
65.03935	1.1
67.05479	1.3
68.99776	2.3
69.03429	4.4
69.07047	0.7
70.06554	2.1
71.04956	1.6
71.54596	1.0
72.08159	5.0
73.02895	0.8
79.05457	1.4
81.03414	6.1
81.07027	1.8
83.04947	1.4
84.08144	2.6
85.02438	0.5
85.02901	8.6
85.06542	0.5
86.09669	1.9
87.04435	1.0
91.05468	2.6
92.98855	0.5
93.03367	0.6
93.07041	1.3
95.04935	1.9
95.08584	1.1
97.02900	4.6
97.06499	0.7
99.04457	3.2
100.04771	0.5
103.03911	2.0
103.05463	0.6
105.06995	0.8
107.04958	4.9
107.08595	1.0
108.20478	0.5
109.02872	4.1
109.06513	1.0
109.10161	0.7
110.02382	0.9
111.04448	4.0
119.04947	3.7
119.08569	1.1
120.08102	0.8
121.02861	5.5
121.06451	0.9
121.10110	1.0
122.09646	1.2
123.04428	29.1
123.11700	0.5
124.03912	0.7
126.01061	1.4
127.03915	18.0
128.04224	0.9
131.04938	0.8
131.08559	1.0
133.10210	0.7
135.04420	7.6
136.07518	0.7
137.02307	1.2
137.05984	1.7
139.03897	8.3
143.08490	0.6
144.02095	5.6
145.02486	2.8
145.04953	2.4
145.06467	0.7
145.07578	0.9
145.10120	1.3
146.01782	1.5
147.04417	5.1
147.08017	0.7
149.02327	1.9
149.05934	1.2
150.10164	0.5
151.03896	22.5
153.01837	8.5
155.03371	0.9
157.06497	0.9
159.04398	1.1
161.02272	0.7
161.05974	0.9
163.03894	10.7
167.03429	0.7
167.07018	1.8
173.05956	1.7
173.13213	1.2
175.03903	0.9
177.01854	0.6
177.05450	0.8
178.08609	0.7
179.03397	19.1
183.02873	0.7
185.05911	0.9
187.03905	2.3
188.10686	1.8
191.08151	8.7
195.02933	1.1
197.06070	1.1
201.05464	4.1
203.03384	4.3
203.06955	0.7
215.03571	0.6
215.07010	4.4
216.10229	2.5
218.11751	1.1
219.06554	1.1
221.04439	2.2
229.04959	3.3
230.11752	0.7
231.02997	0.8
235.14565	0.7
241.04897	1.0
241.08629	0.7
241.15811	1.1
243.06538	1.7
247.14462	7.7
256.65820	0.6
261.03857	0.8
261.07623	3.5
269.04437	1.0
271.06006	33.7
271.16846	2.6
279.06625	0.8
287.05566	0.8
288.05621	0.6
289.07053	100.0
289.15430	43.0
290.07355	1.0
293.07959	1.2
295.06158	0.9
301.06714	1.1
305.08221	0.6
307.05933	2.7
307.12943	4.9
308.06769	2.7
309.07584	1.1
317.07993	0.6
321.07547	9.9
322.08197	1.6
325.13635	0.8
331.06891	0.6
333.07605	5.2
335.09180	2.2
347.09085	5.7
349.07193	5.0
349.10938	0.9
350.07776	0.8
351.08496	2.7
355.07877	1.0
359.09091	2.1
361.07236	2.0
363.08493	1.2
373.06818	0.6
375.08609	8.7
377.10187	2.1
379.08057	1.1
387.08798	3.1
403.08179	7.4
405.09613	3.5
415.08469	1.4
433.09167	13.1
433.15302	0.9
451.10278	39.8
451.16647	1.7
452.10422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1234
Annotation	3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.03942	4.5
55.01870	2.7
55.05504	1.6
56.11456	1.2
56.96539	1.3
57.03416	4.1
59.04988	1.3
61.02920	5.9
65.03912	3.3
67.05486	3.1
68.99777	5.6
69.03427	18.5
69.57079	10.7
70.06581	7.3
71.04987	2.7
72.08158	8.3
73.02914	2.1
73.54935	1.2
77.03886	1.3
79.05489	1.6
81.03423	11.5
83.04981	1.6
84.08152	3.1
85.02901	46.1
86.09687	1.9
86.25444	1.2
87.04450	4.0
89.03963	1.2
89.10751	1.4
91.03950	1.1
91.98316	1.2
93.03400	3.5
95.04945	4.9
97.02893	19.2
98.06037	1.2
98.09685	2.6
99.04465	6.4
103.03944	3.0
103.05489	1.6
105.03432	1.6
105.95746	1.2
106.98864	1.6
107.04964	5.7
109.02876	10.9
109.06512	1.4
110.02386	1.2
110.07101	1.5
111.00782	1.9
111.04430	30.2
112.73891	1.2
114.10251	1.4
119.04948	3.8
121.02875	2.3
123.04420	100.0
124.07614	1.3
127.03909	58.5
130.12144	1.5
131.04962	2.7
135.04408	63.5
136.07579	1.5
137.02356	3.5
138.05460	1.5
139.03889	85.0
143.07144	1.2
145.04947	10.5
147.03244	1.2
147.04398	24.2
149.02344	11.3
149.05989	2.1
150.07756	3.6
151.03897	34.7
151.05103	2.0
153.01843	2.9
155.03351	4.2
157.06415	1.8
158.05942	1.9
159.04385	2.5
161.06007	1.9
163.02548	1.7
163.03896	29.1
163.07411	1.3
167.03418	2.1
167.07065	1.5
169.06355	1.8
173.05977	2.4
177.00645	1.2
177.05482	3.1
179.03403	4.0
182.08408	5.5
187.03815	2.4
187.06113	1.5
197.05954	3.6
201.05438	3.4
203.07047	2.7
207.09062	1.3
211.08688	17.4
213.05461	3.1
215.07011	4.0
218.11792	4.8
225.05463	1.7
229.04918	2.8
231.06613	7.2
235.14491	1.5
241.04935	1.9
243.06523	9.9
247.06100	1.4
256.07260	3.6
259.06061	11.7
261.07574	14.6
270.86163	1.5
271.05994	27.2
271.09930	6.9
272.06241	1.4
273.07550	12.9
289.07068	48.8
289.11722	12.0
289.15475	7.1
289.65671	1.5
433.15900	1.8
451.10858	2.0
451.16611	15.7
451.71173	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1232
Annotation	Aromadendrin 3-galactoside
Peak:m/z	Relative Intensity
52.08458	0.4
53.03933	1.3
55.01858	0.8
55.05493	0.8
57.03419	1.6
61.02908	0.5
62.08411	0.4
65.03929	0.4
67.01843	1.3
68.99783	0.8
69.03419	4.2
69.07049	0.5
70.06558	2.0
71.04968	1.3
71.62798	0.6
72.08145	1.0
73.02916	0.5
79.05473	0.8
81.03407	8.0
81.07052	0.6
83.04974	0.6
84.08107	0.4
85.02894	6.0
86.09699	1.4
87.04441	0.5
89.03899	1.7
91.05503	0.6
93.07054	0.4
95.04963	1.0
97.02863	2.4
99.04456	3.3
103.03944	1.2
105.07016	0.7
107.04920	1.2
109.02872	3.8
111.00790	1.6
111.04423	1.5
117.03378	2.7
117.05502	0.4
118.06534	0.7
119.04906	0.6
119.94451	0.4
120.08049	0.5
121.02843	2.4
123.04426	3.7
125.02348	0.5
127.03915	3.8
130.42067	0.4
135.04387	6.8
135.08073	0.5
137.02295	0.8
137.05959	1.0
139.03835	1.0
145.02840	6.3
145.04951	0.9
145.07619	0.9
147.04424	1.2
147.09174	1.9
151.03848	1.3
151.88124	0.4
153.01811	55.9
154.02238	0.5
159.04446	0.9
161.05983	0.5
163.03893	44.4
164.04288	0.4
165.01833	4.5
167.06950	0.6
171.02859	6.4
173.05811	0.5
173.07117	1.8
175.08635	2.5
177.01854	1.8
177.05698	0.5
179.03386	4.4
183.02849	5.3
187.03899	1.9
189.01828	0.6
191.03386	3.7
191.08142	18.0
195.02879	16.6
203.03496	0.7
205.04906	1.5
215.03214	0.4
219.02884	5.6
231.02927	3.2
233.04445	0.5
237.04123	0.4
243.02994	0.7
247.05835	0.5
249.03996	2.0
261.03934	4.3
271.06015	1.8
271.10800	0.8
279.05014	1.3
287.05487	2.5
288.05692	2.0
289.07037	100.0
290.07428	1.3
297.06015	1.1
301.06998	5.5
301.12112	0.5
307.12827	5.9
313.07010	2.1
321.07520	0.8
325.13849	2.9
331.08426	3.4
331.12234	3.0
347.09369	0.6
349.07034	0.9
349.13901	1.7
355.08054	4.7
367.08093	2.4
367.12296	0.5
371.15997	0.6
375.08347	0.8
379.08170	1.1
385.09149	1.1
389.16980	1.1
397.09122	2.2
397.14145	1.6
403.08224	0.8
415.09991	1.9
415.15149	2.5
433.10690	1.3
433.16071	1.2
451.10422	3.7
451.17221	4.1
452.10843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26971	0.5
54.03115	0.5
55.13696	0.5
56.03894	0.5
62.77785	0.5
68.64702	0.6
69.03428	0.9
71.61976	0.9
72.08134	1.5
85.02881	2.4
97.02863	0.7
127.03909	1.5
139.89204	0.5
147.04361	0.8
201.83406	0.5
245.05028	0.7
391.03015	0.7
401.88751	0.6
433.04297	0.8
451.04831	100.0
452.05179	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1233
Annotation	Steppogenin 4'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03934	0.7
55.01860	0.8
56.46400	0.4
57.03426	0.7
58.06580	0.4
59.20245	0.3
65.03925	0.7
67.05492	1.0
68.04974	0.4
68.99776	2.1
69.03427	2.4
69.07062	0.6
70.06568	1.1
70.42904	1.2
70.43272	0.6
71.04974	0.8
72.08153	2.0
73.02889	0.7
79.05476	0.8
81.03397	2.1
83.04967	1.0
84.04501	0.6
84.08128	0.8
85.02905	4.6
86.09695	0.7
91.05476	1.0
93.03378	0.4
93.07053	0.8
95.04960	2.2
97.02887	2.9
98.97604	0.5
99.04440	1.3
103.03908	0.6
105.07021	0.5
107.04944	5.4
109.02847	2.2
111.00808	0.5
111.04417	2.8
119.04904	1.6
121.02859	1.4
123.00851	0.4
123.04421	32.7
124.03922	0.4
124.07629	0.4
127.03915	16.2
131.04901	0.4
135.04401	9.6
137.02339	1.0
137.05972	0.7
139.03891	10.2
145.04916	1.1
147.04410	3.6
149.02322	2.4
149.05962	0.9
151.03894	22.6
152.07130	0.4
153.01822	5.9
155.03366	1.3
156.10243	0.4
157.06441	0.5
161.05943	0.5
163.03893	7.4
165.05435	0.4
167.03432	0.6
169.06470	0.6
173.05962	1.0
175.07484	0.6
177.05486	1.0
179.03386	20.9
183.02820	0.5
187.03876	2.6
187.05748	0.4
191.03294	0.5
197.05954	1.0
200.10606	0.4
201.00671	0.5
201.05457	2.7
203.03336	0.5
203.07021	1.2
209.15338	0.6
211.08778	0.5
215.06992	4.5
219.06544	0.8
225.05444	1.1
229.05002	1.3
243.06441	2.2
249.35049	0.4
261.07535	2.5
271.05994	40.0
272.06387	0.6
283.05939	1.1
289.07043	100.0
289.15540	2.2
289.19089	1.4
290.07303	0.9
290.15952	0.4
311.07089	0.7
313.07062	1.0
331.07806	0.7
355.07990	1.0
397.08887	0.4
415.09717	0.5
416.88068	0.4
433.09216	0.5
450.27029	0.4
451.10352	0.8
451.17035	1.2
452.40164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01860	1.1
55.05515	3.5
57.03432	6.5
57.15357	0.7
58.02949	0.9
58.06594	1.3
60.04527	4.3
61.02913	3.4
64.40151	0.7
65.03896	0.7
69.03426	10.3
69.07062	20.1
69.59573	2.9
69.60000	3.1
70.06583	6.6
71.04991	22.7
71.08629	11.7
72.08149	17.5
73.02907	3.1
75.04485	1.3
79.05477	1.7
81.03416	6.6
81.07061	1.4
82.06560	1.4
83.04977	3.2
84.04503	3.2
84.08130	4.7
85.02898	64.2
86.02423	2.9
86.09709	2.0
87.04458	3.0
89.10788	0.7
91.03973	1.2
91.05479	1.9
95.04989	1.1
96.04450	0.9
96.08135	3.2
97.02892	26.7
97.06533	3.6
98.02414	1.1
98.06042	1.6
98.09692	1.5
99.04440	3.4
101.06000	1.4
103.03946	3.6
105.04533	0.9
105.07003	1.3
107.04933	2.2
109.02872	9.6
109.06492	1.0
110.02390	6.8
110.06013	0.8
110.07146	2.1
111.04434	2.3
112.07606	1.9
114.09155	14.1
115.03892	1.6
116.07091	1.3
116.98626	1.4
117.05413	0.9
119.04917	1.7
120.08099	1.7
121.06466	1.0
122.48338	0.9
123.04397	2.3
123.08108	1.0
124.07581	5.0
126.05521	1.3
126.09145	2.6
127.03912	18.6
128.10680	1.4
129.05498	4.9
129.10202	1.3
133.06488	1.2
135.04439	0.8
137.02361	1.0
137.05974	2.6
138.05498	3.1
138.09151	4.5
139.03883	1.0
140.07050	2.3
140.10675	1.7
142.08624	100.0
145.04951	10.5
146.11752	1.2
147.04388	10.4
147.06401	1.0
148.04839	1.2
149.35159	0.8
150.05534	1.4
151.03928	1.6
152.07010	4.9
152.10756	0.8
153.01857	1.3
154.43420	1.0
156.10201	2.8
161.05988	1.2
161.09541	0.9
163.03967	1.7
163.05980	1.2
165.09122	0.8
166.08606	1.5
167.07051	4.2
168.06592	1.1
169.09660	5.7
177.00653	1.0
177.05415	1.4
180.10173	1.6
184.09683	54.9
185.10121	0.8
187.05988	0.9
208.09694	12.9
218.11795	1.2
220.09708	2.3
222.11270	1.6
227.07025	1.1
228.07341	1.5
235.14357	1.7
238.10638	1.1
242.08862	1.3
250.10710	7.4
252.12132	1.0
256.15497	0.9
258.08167	0.9
268.11737	3.2
270.13416	2.3
271.05997	1.8
286.12967	3.8
287.05682	1.0
288.05923	2.9
288.09262	2.0
288.14368	1.8
289.06964	3.4
289.11948	1.0
290.15765	1.1
304.13904	34.8
335.04211	1.0
360.09531	1.4
381.18011	5.9
384.11563	1.4
450.19943	2.0
450.26389	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	450.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13084	0.5
56.16656	0.5
57.03424	0.7
69.03430	1.3
69.72627	2.8
69.73037	1.0
70.06570	0.6
71.04961	0.8
72.08154	1.6
81.03413	0.9
85.02910	3.2
87.04485	1.2
97.02873	1.5
98.97562	1.0
104.07085	0.9
119.04941	0.6
127.03936	1.2
128.98587	0.8
138.05496	1.5
142.01773	1.8
145.04900	0.8
147.04414	3.6
147.43031	0.6
160.02852	3.3
170.99802	0.5
178.03795	0.8
180.10097	0.6
200.04581	0.6
288.05569	2.1
289.15787	0.6
306.06506	3.6
308.19653	0.5
450.11560	100.0
451.04849	11.6
451.11798	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	450.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.8
55.01836	1.0
57.03411	0.5
61.02900	0.8
68.99759	1.4
69.03403	1.0
69.07017	0.8
70.06570	1.1
70.61272	1.2
72.08163	2.7
74.06031	0.6
77.08438	0.4
79.05449	0.9
81.03426	2.3
81.07021	1.0
82.06559	0.6
84.08113	1.2
85.02884	2.5
86.03221	0.7
86.06032	0.7
86.09668	0.5
91.05447	1.8
93.07013	0.9
95.04932	1.1
97.02868	1.0
99.04433	0.5
103.03926	0.9
103.27081	0.4
105.03307	0.6
105.06999	0.5
106.02866	0.9
107.04900	1.1
107.08525	0.5
108.05251	0.5
108.19962	0.4
109.02816	1.7
109.10173	0.6
110.02351	1.1
110.03091	0.5
110.20733	0.5
114.09077	0.5
119.04900	1.1
119.08527	0.5
121.02857	3.8
121.10077	1.2
122.03216	1.2
123.04428	0.6
124.03937	2.3
126.05493	0.5
127.03896	2.0
135.04424	3.2
136.04695	1.5
136.07578	0.6
137.02328	5.2
137.05899	0.7
138.02634	3.1
141.01778	1.3
142.02165	0.6
145.02733	0.5
145.58148	0.5
147.04413	2.9
147.11636	0.7
148.04785	0.7
148.10776	0.4
149.02283	1.6
150.02621	0.7
152.07016	0.6
153.01784	2.1
154.02113	1.0
161.02293	1.9
162.02631	1.8
163.03911	3.0
164.04181	1.4
165.00507	0.9
165.01816	10.1
166.02135	5.0
167.03410	3.4
168.03682	2.2
169.09683	0.9
172.04276	1.0
175.03862	0.8
177.01830	0.9
177.05447	0.8
178.02077	0.7
179.03415	1.3
182.05264	0.8
183.02870	7.1
184.03221	4.4
187.03893	0.7
188.04195	0.6
189.05447	0.9
191.03342	0.8
192.03691	1.0
195.02806	1.8
196.03108	0.8
199.02303	0.5
203.03351	1.2
204.03688	0.6
205.04979	0.8
207.02939	0.6
209.04384	0.7
214.05457	0.5
215.03328	0.7
217.04933	1.1
218.05269	1.4
221.04431	0.8
231.06444	0.7
232.06367	0.5
233.04350	0.5
234.04720	0.6
244.03055	0.5
245.04469	1.0
246.04793	1.1
256.06839	1.0
256.15430	0.7
259.05615	0.5
261.03882	0.6
262.04324	0.5
268.08121	1.3
270.04913	0.9
271.05670	1.0
272.06198	1.5
283.05899	3.5
284.03378	0.8
284.06369	8.1
285.07544	1.1
286.04669	1.6
286.07999	2.2
287.05402	9.4
287.08276	1.3
288.05768	17.6
288.08441	1.9
296.06339	1.8
297.07507	1.5
298.07883	7.7
299.05475	33.3
300.05817	100.0
301.06534	9.4
302.07172	0.5
302.32666	0.6
307.05933	0.8
308.06741	1.1
309.07425	0.7
310.07629	0.7
311.05429	2.8
311.08896	0.7
312.05817	11.9
312.09436	3.1
313.06842	0.9
314.04160	0.8
314.07321	3.2
321.07709	2.5
322.07907	2.9
324.05957	2.6
325.06836	5.7
326.03922	1.4
326.07346	24.5
328.05438	0.9
329.06516	19.5
330.06860	75.4
331.07062	2.0
333.07693	0.9
338.07321	3.1
339.08670	2.3
340.08942	17.8
347.09323	1.5
349.07034	1.8
350.07303	4.6
353.06567	6.0
353.10748	0.8
354.06863	49.6
355.07397	1.2
359.08994	0.6
365.06488	0.9
366.06863	14.2
367.08292	0.5
368.08484	2.7
373.28384	0.5
375.08585	3.3
378.06836	11.1
379.07889	0.6
383.07742	1.8
384.07925	32.5
387.08621	1.1
396.07944	27.4
403.07874	1.3
405.09772	1.0
414.08972	31.8
415.09085	0.7
432.10046	22.0
433.09146	3.8
450.11005	8.7
450.20319	1.6
451.10284	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	449.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01889	5.0
55.05510	45.2
57.07078	18.3
65.16396	3.6
67.05499	36.4
69.06715	5.9
69.07066	72.7
69.73196	14.7
69.73631	12.6
71.08627	12.0
78.60382	4.1
79.05502	16.4
81.07054	79.3
83.01326	10.3
83.04984	12.3
83.08619	42.7
85.10188	4.2
87.56724	3.3
91.05483	12.0
93.07041	33.8
95.08601	91.3
95.09161	7.7
96.59534	3.5
97.10155	22.5
105.07018	24.9
107.08611	37.7
109.06544	10.7
109.10169	39.8
111.04466	10.3
111.08080	11.3
111.11728	13.0
113.02320	4.8
113.35667	3.8
117.07059	3.8
119.08593	21.6
121.06505	14.4
121.10120	27.8
123.08070	100.0
123.11691	19.7
125.02368	30.8
125.05978	5.7
125.09592	5.4
127.38564	3.6
131.08545	9.0
132.75688	4.0
133.10123	15.4
135.08069	14.7
135.11691	22.1
137.05983	24.3
137.13293	10.7
139.07552	13.3
142.07770	4.5
143.08618	6.6
145.10120	13.2
147.11699	12.2
149.09642	8.7
149.13254	16.6
151.07533	17.9
151.14847	7.6
155.07071	11.8
155.08400	3.9
156.09352	4.9
157.10179	15.0
159.11737	17.4
161.13210	10.3
163.11182	7.3
163.14874	8.2
165.12793	4.2
167.03403	64.5
167.07077	11.8
169.08594	9.3
171.11681	13.8
173.13275	12.4
175.11217	5.9
175.14799	7.5
177.09149	6.0
181.08630	4.8
187.14798	4.0
189.12770	6.7
191.10670	20.0
191.14359	8.6
205.12273	13.5
207.13881	4.4
217.12231	51.7
219.13803	6.6
223.13347	5.1
231.13750	4.4
238.19135	3.9
242.92030	4.3
249.14867	4.2
273.18594	5.4
357.27454	6.1
367.33749	6.0
385.34488	17.3
387.36115	12.7
403.35843	26.9
403.40298	4.7
405.37439	6.0
413.34195	31.0
431.35727	25.0
449.30759	7.1
449.36700	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	449.362
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
55.05513	2.6
57.03436	1.4
57.07067	2.1
67.05499	7.5
69.03438	0.7
69.07062	3.8
70.91353	1.8
71.08629	0.7
78.62888	0.5
79.05497	2.3
81.07054	5.4
83.01340	1.6
83.04974	1.2
83.08607	3.5
85.10159	0.6
91.05476	2.4
93.07033	2.2
94.82605	0.6
95.04963	1.1
95.08609	10.2
97.06514	0.7
97.10172	1.6
98.98452	1.5
105.07030	4.2
107.04955	0.7
107.08597	2.1
109.06479	0.6
109.10172	3.1
111.04433	4.0
111.11710	1.1
113.00016	1.7
113.83931	0.6
119.08578	1.4
121.06481	1.5
121.10143	1.2
123.08076	9.5
123.11687	1.7
130.35976	0.6
131.08586	1.5
133.10124	1.0
135.08018	6.3
135.11719	0.9
136.99994	1.6
145.10136	3.1
147.11642	1.0
149.09610	2.3
151.07535	95.4
152.07848	3.7
155.01035	1.9
159.08057	1.4
159.11746	1.1
161.09622	0.8
162.06737	0.9
163.11214	5.6
165.09161	1.4
169.02705	0.7
173.09618	3.8
175.07516	0.9
175.11171	0.8
176.08321	4.8
177.09111	19.7
187.11238	0.7
190.09856	2.1
191.10657	100.0
192.10977	1.8
193.04817	0.6
203.10643	1.2
205.12227	37.7
206.12485	1.3
211.14839	0.7
217.12283	0.9
219.13812	1.6
281.19385	0.6
287.05518	0.9
313.27194	2.0
325.07016	0.7
337.27341	2.6
360.10071	0.7
403.15518	0.8
413.34302	3.8
431.35291	6.6
449.19376	4.1
449.25906	1.4
449.36139	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3625
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
53.57769	0.4
55.05497	1.5
57.07056	0.4
66.20329	0.3
67.05502	3.4
69.03392	0.5
69.07053	1.5
70.71004	0.7
70.71384	0.6
79.05489	1.0
81.07053	2.4
83.04948	0.4
83.08605	1.2
93.07038	1.3
95.08605	6.9
96.08950	0.4
97.10165	0.9
105.07022	1.3
107.08571	0.8
108.05724	0.4
109.06484	0.4
109.10130	1.6
110.74721	0.4
111.11732	0.5
119.08509	0.5
121.06525	0.5
121.10122	0.7
123.08065	8.5
123.11665	0.9
135.08005	1.8
135.11665	0.6
137.13289	0.4
145.10107	0.6
151.07536	100.0
152.07860	1.4
159.11749	0.6
161.09592	1.0
163.11240	0.4
163.14850	0.5
165.09149	0.8
167.07060	0.9
175.11142	1.7
177.09096	1.0
189.12692	1.8
191.10680	4.1
205.12222	2.1
212.61198	0.3
220.37999	0.3
220.57268	0.3
262.77722	0.3
270.79568	0.4
299.05676	0.4
329.06061	0.3
384.99194	0.4
413.34460	0.6
431.35315	2.2
449.36224	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	449.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.9
55.05519	0.8
57.07096	0.7
63.44247	0.5
67.05541	1.8
68.02616	0.6
69.03451	0.7
69.07108	1.6
69.57271	0.6
71.63525	0.8
79.05479	4.7
81.07094	2.7
91.05476	6.2
93.07073	1.4
95.05009	1.1
95.08643	3.1
103.05466	18.9
103.49234	0.6
105.05957	1.8
105.07026	72.2
106.07390	0.9
107.08649	1.2
114.09237	0.9
115.05471	1.0
117.07047	1.3
119.08591	0.8
121.10165	0.8
128.06297	2.4
129.07069	2.1
131.08591	0.8
133.06506	1.1
133.10179	1.7
135.11761	0.9
138.18393	0.6
143.08640	1.7
145.06569	0.9
147.08148	0.9
151.07533	0.8
157.10184	0.6
159.11728	0.8
165.07043	1.1
167.07155	0.9
167.08563	1.0
171.08107	4.9
178.07867	2.0
179.08553	3.0
181.06572	0.7
181.10312	0.8
191.07097	0.6
191.08455	2.9
192.09375	2.1
193.10202	2.8
195.08109	2.5
202.07744	1.0
203.08551	0.9
205.06619	0.9
205.10149	1.4
206.10915	4.4
207.08052	3.6
208.08740	0.8
215.08644	0.7
216.09338	1.0
219.08058	1.4
220.08833	3.3
221.09683	3.8
221.13290	1.3
222.10446	1.7
233.09415	0.9
234.10379	3.8
249.12747	39.3
250.13181	1.7
267.48093	0.7
270.59897	0.7
287.05423	0.9
295.06177	0.7
327.17419	38.3
328.17737	1.6
337.41983	0.6
405.22128	100.0
406.22501	4.2
431.14932	0.8
431.31451	0.6
449.24747	36.4
449.30347	2.5
450.25183	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44961	8.6
55.05508	18.8
57.07076	18.1
69.07053	60.2
71.63148	9.3
79.05502	13.0
79.40561	9.3
81.07030	29.8
83.08611	30.6
95.08595	35.2
96.40630	8.7
97.10163	20.9
107.08562	9.6
109.10145	17.9
111.11727	10.3
120.35164	10.3
121.10127	11.1
123.11674	10.1
133.10121	11.1
139.03889	36.0
141.05481	14.3
143.79102	8.4
151.07547	18.2
167.03404	100.0
169.04973	63.5
179.07141	8.4
191.07002	16.1
200.05035	10.1
205.08638	10.5
209.08031	9.7
223.75294	8.6
287.05566	16.1
346.37241	9.1
377.18661	9.9
431.31570	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	449.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
57.03426	1.0
67.05494	2.3
69.07048	1.6
71.63461	1.2
74.69685	0.7
75.21916	0.7
79.05494	4.1
81.07042	2.8
85.02875	0.8
91.05490	4.7
93.07024	1.7
95.04978	1.0
95.08596	1.8
97.02893	0.7
103.05464	12.9
105.07024	49.2
107.04945	2.0
107.08646	1.4
109.10161	1.9
115.05442	0.9
117.07008	1.9
119.04899	1.2
119.08570	1.1
121.02867	2.1
121.10173	1.3
128.06245	2.2
129.06982	2.8
131.08574	0.9
133.10139	0.9
135.08069	0.7
141.06949	1.3
143.08572	1.0
145.06529	1.3
151.07556	0.8
153.06956	0.9
157.06490	1.3
159.08073	0.8
160.10068	0.7
169.06448	1.0
171.08040	2.7
178.07806	1.7
179.08516	2.1
181.06490	1.1
185.05978	1.9
189.05461	2.1
189.16389	0.9
191.08553	1.8
192.09453	1.0
193.10101	1.6
195.02887	1.0
195.08026	1.6
202.07906	1.0
203.06902	0.8
205.10165	1.3
206.10934	2.5
207.08047	2.6
213.05479	1.8
215.08606	0.9
219.08083	1.7
219.11723	1.1
220.08817	2.6
221.09576	2.7
229.10155	1.6
231.06285	0.9
231.08282	1.7
232.08812	5.3
234.10413	2.7
247.11182	2.5
249.12737	25.1
260.08365	2.4
275.10529	4.4
295.05978	13.9
303.10120	13.5
305.08148	1.0
306.09106	0.9
307.05978	3.2
307.09592	2.2
321.07535	1.2
327.13440	1.0
327.17410	26.7
331.09628	56.2
332.10040	1.3
333.07626	3.1
334.08282	3.0
337.10809	2.1
349.10690	100.0
350.10977	2.1
405.22116	64.3
406.22491	1.1
431.31516	0.9
449.19470	62.4
449.24905	23.4
449.30591	1.6
450.19730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1593
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
52.21732	1.2
55.05494	3.8
55.50157	1.2
56.96550	2.2
57.07063	1.3
59.69846	1.2
59.94373	1.2
61.35623	1.2
64.81954	1.3
67.05495	8.7
69.03382	1.4
69.07048	5.3
70.11850	6.5
79.05465	5.7
81.03419	2.2
81.07050	11.3
83.04946	1.5
83.08630	3.1
85.02895	1.8
91.05471	6.2
93.07029	6.1
95.04974	3.1
95.08595	7.5
97.06508	2.6
105.07001	4.9
107.04944	1.5
107.08576	4.6
109.06490	2.4
109.10151	3.3
112.56580	1.1
117.07030	1.6
119.08579	3.6
123.04400	2.1
127.03854	1.2
129.06955	1.8
131.08574	1.4
133.02858	1.9
133.10107	3.5
134.03616	2.4
135.08017	1.4
135.11650	2.0
137.05949	1.9
143.08516	2.7
145.06339	1.3
145.10118	2.1
149.13286	1.6
151.07587	1.7
153.05432	1.9
159.11639	1.9
161.09647	1.4
177.01840	1.9
191.03439	1.6
217.15506	1.2
218.01949	1.4
219.06473	4.6
224.04694	4.5
225.05446	2.7
227.07063	1.8
242.05750	2.0
243.06583	2.6
245.04491	4.8
249.05574	1.2
257.09650	1.5
260.06711	2.8
265.04794	2.0
269.09958	1.5
277.04926	1.5
285.08865	1.5
287.05420	2.7
293.08102	1.4
294.05219	2.1
299.05325	3.3
301.08499	2.3
305.08032	3.0
307.09451	1.4
313.08472	1.3
315.06656	1.3
321.07407	1.4
322.04669	20.0
323.05392	1.5
325.07104	1.7
327.08957	1.5
329.07089	1.2
333.07605	2.5
334.04709	1.9
335.09149	1.5
336.06216	2.7
337.07004	20.9
338.08002	1.9
341.07898	1.9
347.09277	2.3
348.06070	2.1
348.09955	3.1
349.07022	6.0
349.10754	1.9
350.08041	2.0
351.08603	7.1
353.10040	2.3
357.07596	1.8
358.08282	5.8
361.06915	4.0
363.08524	3.1
367.18112	2.4
368.18021	1.8
373.10736	8.4
376.09430	15.5
377.10104	2.2
379.11539	2.0
391.11728	100.0
392.12473	7.5
407.14795	8.0
421.16382	3.7
431.14825	3.9
449.15881	77.7
449.28806	8.6
450.16162	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	449.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76702	0.3
55.05518	0.5
67.05494	1.2
69.03420	1.4
69.07051	1.2
71.05023	0.3
74.69637	0.3
79.05486	1.0
81.07047	2.1
83.08618	0.5
85.02906	0.4
93.07027	0.8
95.04935	0.4
95.08588	1.6
97.10174	0.4
105.03384	0.4
105.07010	0.4
107.04908	0.3
107.08540	0.5
109.06528	0.7
109.10106	0.5
119.08596	0.4
121.06499	0.4
121.10151	0.4
129.07001	0.6
131.04887	0.5
131.08600	0.6
133.02838	0.6
134.03630	1.6
135.04477	0.5
135.11621	0.5
137.05942	0.6
151.03899	1.7
157.06471	0.5
159.04427	1.2
165.05501	1.3
173.13135	0.4
187.07544	1.9
189.05441	1.3
197.09569	0.4
213.05464	5.7
215.07018	0.4
217.10130	0.4
229.48534	0.3
231.06517	0.9
233.09651	0.6
240.04199	0.5
241.08591	0.7
247.07365	0.4
251.10815	0.6
261.09198	0.5
267.06555	0.5
273.09140	0.5
275.07050	0.5
283.09445	0.5
287.05380	0.6
289.08746	0.7
290.09326	0.7
291.10226	0.5
293.08188	0.6
295.05939	0.6
295.09503	0.5
301.08401	0.5
307.09418	0.9
309.07706	0.6
309.11127	0.4
310.04727	2.3
310.08008	0.8
317.08127	0.6
318.08798	1.0
319.09735	0.9
321.07578	0.9
322.04703	1.5
322.08359	0.6
323.05490	0.6
323.08997	0.6
324.06348	0.9
325.07047	4.7
327.09970	0.5
329.08099	0.5
333.07755	0.5
333.11368	1.0
335.09033	0.9
336.06238	4.5
336.09833	0.6
337.07004	3.4
337.10794	1.6
338.07663	0.6
339.08636	0.4
346.08316	4.7
347.09021	1.5
348.09909	1.0
349.07037	0.8
350.07825	3.4
351.04300	0.6
351.08560	9.7
351.12613	0.9
352.09381	1.2
361.10699	6.5
362.07596	0.7
362.11469	0.8
363.08517	1.3
364.09363	7.2
365.10117	7.0
366.11084	1.8
367.11737	2.8
373.10715	1.1
377.10086	0.9
379.11731	28.2
380.12268	1.6
388.13297	0.9
389.14114	0.7
391.11743	1.4
393.09229	0.7
393.13516	0.6
395.11340	1.7
398.11612	0.7
401.10181	1.3
403.15430	2.3
405.13159	0.8
406.14230	1.9
407.10880	0.8
413.13809	1.1
416.12747	2.1
421.11151	0.5
421.16495	9.1
431.14914	19.6
432.15164	1.0
434.13647	2.4
449.15921	100.0
450.16208	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1588
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
51.01969	0.7
55.05504	3.1
57.03426	0.7
58.53146	0.7
67.05495	2.3
69.03429	2.8
69.07048	2.6
70.14867	2.4
70.15281	1.2
71.04987	1.6
79.05497	2.2
81.03374	1.8
81.07056	5.7
83.04970	5.2
83.08630	0.8
85.02898	2.8
91.05466	2.0
93.07046	2.7
95.04945	1.6
95.08613	5.0
97.02899	3.0
97.06522	1.6
99.04438	1.1
105.07027	2.7
107.08595	3.2
109.02895	1.6
109.10165	2.3
111.04428	4.6
117.06982	0.7
119.04984	1.1
119.08581	1.7
121.06500	1.6
121.10131	1.3
123.04445	1.3
123.08077	1.8
123.11699	1.4
125.06009	1.0
127.03924	3.1
129.05453	1.1
131.08569	1.2
133.06477	1.6
134.03668	0.9
135.11661	0.8
137.05981	1.3
137.09651	0.9
139.07509	0.8
141.01855	1.0
145.10103	1.3
147.04376	0.8
149.05984	0.8
149.13277	0.9
151.03931	1.7
151.07513	3.6
153.05486	1.8
153.06964	0.7
157.10219	0.8
159.11678	0.9
161.13293	1.2
163.07588	1.1
167.06998	5.0
168.07378	1.8
169.07593	0.8
171.11606	0.9
173.09669	0.8
182.96790	0.8
189.05447	0.8
191.10699	1.6
193.12366	0.9
203.10583	1.0
211.13248	0.9
213.05476	0.8
229.04878	0.7
238.09685	0.8
247.05870	1.5
265.08594	1.4
277.08502	0.7
287.05453	2.2
289.08536	0.8
291.06625	1.0
305.08194	1.9
310.04895	0.9
320.10120	0.9
325.06866	2.1
329.06653	0.6
333.11493	1.2
334.08441	1.2
335.09146	1.5
336.06259	1.5
345.07480	0.8
346.08456	2.5
347.09192	1.2
348.06305	5.0
349.11203	1.0
351.08569	3.4
361.10828	5.8
362.07828	15.7
363.08609	14.2
364.09335	3.2
377.10202	37.0
378.10962	36.9
379.11716	9.6
380.12216	1.2
391.11823	1.3
398.11462	1.8
401.10385	1.0
406.14352	1.0
413.13861	2.1
413.30640	1.3
416.12457	1.0
421.16431	1.8
431.09476	1.2
431.14984	15.3
431.31885	1.1
432.15683	0.9
434.13837	1.0
449.15991	100.0
450.16290	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1591
Annotation	Cycloartomunoxanthone
Peak:m/z	Relative Intensity
54.76702	0.3
55.05518	0.5
67.05494	1.2
69.03420	1.4
69.07051	1.2
71.05023	0.3
74.69637	0.3
79.05486	1.0
81.07047	2.1
83.08618	0.5
85.02906	0.4
93.07027	0.8
95.04935	0.4
95.08588	1.6
97.10174	0.4
105.03384	0.4
105.07010	0.4
107.04908	0.3
107.08540	0.5
109.06528	0.7
109.10106	0.5
119.08596	0.4
121.06499	0.4
121.10151	0.4
129.07001	0.6
131.04887	0.5
131.08600	0.6
133.02838	0.6
134.03630	1.6
135.04477	0.5
135.11621	0.5
137.05942	0.6
151.03899	1.7
157.06471	0.5
159.04427	1.2
165.05501	1.3
173.13135	0.4
187.07544	1.9
189.05441	1.3
197.09569	0.4
213.05464	5.7
215.07018	0.4
217.10130	0.4
229.48534	0.3
231.06517	0.9
233.09651	0.6
240.04199	0.5
241.08591	0.7
247.07365	0.4
251.10815	0.6
261.09198	0.5
267.06555	0.5
273.09140	0.5
275.07050	0.5
283.09445	0.5
287.05380	0.6
289.08746	0.7
290.09326	0.7
291.10226	0.5
293.08188	0.6
295.05939	0.6
295.09503	0.5
301.08401	0.5
307.09418	0.9
309.07706	0.6
309.11127	0.4
310.04727	2.3
310.08008	0.8
317.08127	0.6
318.08798	1.0
319.09735	0.9
321.07578	0.9
322.04703	1.5
322.08359	0.6
323.05490	0.6
323.08997	0.6
324.06348	0.9
325.07047	4.7
327.09970	0.5
329.08099	0.5
333.07755	0.5
333.11368	1.0
335.09033	0.9
336.06238	4.5
336.09833	0.6
337.07004	3.4
337.10794	1.6
338.07663	0.6
339.08636	0.4
346.08316	4.7
347.09021	1.5
348.09909	1.0
349.07037	0.8
350.07825	3.4
351.04300	0.6
351.08560	9.7
351.12613	0.9
352.09381	1.2
361.10699	6.5
362.07596	0.7
362.11469	0.8
363.08517	1.3
364.09363	7.2
365.10117	7.0
366.11084	1.8
367.11737	2.8
373.10715	1.1
377.10086	0.9
379.11731	28.2
380.12268	1.6
388.13297	0.9
389.14114	0.7
391.11743	1.4
393.09229	0.7
393.13516	0.6
395.11340	1.7
398.11612	0.7
401.10181	1.3
403.15430	2.3
405.13159	0.8
406.14230	1.9
407.10880	0.8
413.13809	1.1
416.12747	2.1
421.11151	0.5
421.16495	9.1
431.14914	19.6
432.15164	1.0
434.13647	2.4
449.15921	100.0
450.16208	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05501	1.3
57.03432	9.3
58.37411	0.9
61.02936	1.3
65.03923	1.1
67.05487	4.0
68.99795	4.1
69.03424	31.7
69.07061	1.7
69.38889	8.5
70.06573	2.5
71.04990	22.8
72.08154	2.2
73.39503	0.9
75.04462	1.0
79.01844	1.0
79.05486	3.7
81.03399	5.4
81.07047	5.6
83.04980	2.2
84.08121	1.5
85.02898	42.6
85.06527	1.0
87.43391	1.1
91.05477	3.3
93.07056	4.9
95.04955	6.0
95.08604	3.0
97.02877	3.3
97.06524	2.0
97.10188	1.1
99.04447	3.6
103.05461	1.5
105.07031	3.2
107.01315	1.3
107.04946	9.4
107.08591	2.6
109.02867	4.8
109.06503	3.4
109.10162	2.2
111.00803	2.2
111.04442	6.1
115.05485	0.9
117.03378	3.5
117.07024	1.5
119.04929	1.7
119.08565	1.8
120.08097	1.1
121.02864	5.1
121.06512	2.7
121.10120	2.2
123.04404	5.7
123.11726	1.4
125.02343	3.5
125.05980	3.0
125.09618	0.9
127.03896	3.0
129.05489	5.5
131.04927	2.1
131.08502	1.4
133.10129	2.8
135.04405	29.8
136.07571	1.2
137.02344	4.0
137.05980	3.9
143.08575	0.9
145.02832	10.6
145.10127	1.5
147.04405	4.1
147.11687	1.2
149.02342	1.8
149.05945	4.3
151.03923	2.9
151.07526	3.3
153.01820	24.1
153.05492	2.2
159.11746	1.8
163.03867	7.0
163.54288	0.9
165.01828	20.2
167.03360	1.2
171.02876	5.6
171.04305	2.1
175.03902	3.0
177.01862	8.8
177.03993	1.9
177.05450	20.3
179.03397	3.4
183.02879	21.2
189.05466	3.2
191.03378	17.7
193.05003	3.0
195.02882	100.0
200.06721	0.9
203.03392	17.9
205.01373	1.4
207.02887	2.9
209.04449	2.6
213.03970	2.9
217.04964	10.2
219.02892	33.5
220.03252	1.0
221.01183	1.0
221.04449	9.0
223.02348	1.9
235.05972	2.4
237.03906	3.2
245.04437	47.3
246.04654	1.1
261.04019	1.0
263.05490	88.1
271.06122	1.7
272.06699	2.0
281.06546	12.1
285.07666	2.0
287.05423	5.5
287.10419	6.6
295.06094	1.4
296.34802	1.0
297.07544	1.2
299.05298	12.3
300.06229	4.7
303.08618	16.3
311.05487	2.6
313.07050	2.8
315.08530	5.7
323.05557	1.9
325.07013	2.3
327.08487	5.7
329.06500	13.3
339.08582	2.7
345.09607	12.9
353.06488	5.3
353.10345	1.6
369.09677	15.7
383.07672	3.5
395.07257	1.5
395.11353	13.2
413.12698	19.4
431.09531	5.3
431.13754	4.4
449.10645	7.8
449.15012	5.1
449.29062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
57.03418	0.4
61.02913	1.1
69.03417	4.9
70.06571	0.8
71.01322	0.6
71.04980	1.8
71.24547	1.1
72.08157	2.6
73.02908	1.4
81.03414	6.1
83.04945	0.5
85.02898	14.3
89.10767	0.5
97.02883	31.8
99.04445	10.1
103.03934	12.5
109.02872	6.0
125.02342	95.8
126.02731	0.7
127.03908	21.2
143.03386	100.0
145.04942	10.0
145.05928	0.3
145.06113	0.4
147.04361	1.2
163.05995	2.9
169.04886	0.5
187.05975	2.1
199.05873	0.5
205.06905	0.6
271.08087	1.3
289.09033	0.6
421.09424	0.5
437.56091	0.5
449.16092	0.7
449.23962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1436
Annotation	Licoagroside E
Peak:m/z	Relative Intensity
51.02405	0.3
52.79388	0.3
55.01857	0.6
55.05499	0.4
55.20465	0.2
60.87002	0.3
65.03923	0.5
67.05494	3.9
68.99776	1.2
69.03407	1.2
69.07054	0.7
70.56898	1.0
71.01334	0.3
71.04999	0.4
72.08178	0.4
73.02251	0.3
79.05482	0.9
81.03395	0.8
81.07039	1.5
83.04970	0.3
85.02908	2.0
85.06522	0.4
91.05459	1.2
93.07035	1.0
95.04965	6.2
95.08586	1.2
96.12373	0.3
97.02887	0.9
98.79848	0.3
105.07036	0.7
107.04975	1.7
107.08592	0.9
109.02863	0.7
109.06532	0.6
109.10152	0.8
117.06975	0.4
117.63306	0.3
119.04941	1.0
119.08612	0.7
121.06490	1.2
121.10132	0.7
123.04415	100.0
123.11739	0.4
124.04768	1.0
125.02386	0.5
127.03911	0.7
133.10101	0.7
135.04430	0.7
135.11673	0.4
136.07552	0.5
137.06003	1.4
139.03891	0.9
141.05466	1.5
143.08594	0.3
147.04396	14.6
149.05917	0.7
149.13231	0.3
151.07625	0.3
153.01936	0.7
153.05447	21.8
159.11652	0.4
163.03894	1.2
164.07010	0.5
165.01848	0.3
165.05513	1.4
167.06985	0.3
176.20384	0.3
177.05444	2.0
187.07518	0.3
189.05511	0.6
193.05011	0.6
227.07025	0.5
231.02965	0.4
254.05656	0.3
255.06581	0.7
259.09583	0.4
265.91098	0.3
269.07990	0.4
277.24323	0.3
287.05533	11.9
287.09113	41.5
288.09451	0.7
299.05432	0.6
319.25931	0.3
329.06592	1.5
351.08701	0.4
449.14355	0.9
449.20251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	6-C-Galactosylisoscutellarein
Peak:m/z	Relative Intensity
50.85322	0.4
55.01878	0.7
57.03417	1.0
65.75990	0.4
66.85330	0.4
68.99776	1.2
69.97182	0.8
69.97581	2.2
72.08121	1.5
81.03394	1.5
85.02868	1.7
91.05422	0.9
95.04933	0.6
98.20794	0.6
107.04938	0.6
109.02878	1.2
111.00694	0.4
114.10281	0.7
119.04910	0.6
121.02837	2.4
123.04292	0.7
127.03909	1.0
131.12949	0.4
135.04433	3.3
137.02332	7.0
141.01825	1.6
147.04385	1.9
149.02310	1.0
153.01875	0.4
161.02303	2.3
163.03851	3.3
165.01822	11.9
167.03400	4.8
175.03963	0.6
177.01807	0.9
177.05499	0.5
179.03384	1.3
181.04951	0.8
183.02885	7.4
187.03900	1.0
188.01688	1.2
191.03371	1.5
195.02866	2.0
195.09996	0.5
199.02510	0.4
203.03374	1.2
205.04924	1.2
207.02885	0.5
215.03342	0.8
216.01099	4.1
216.02983	0.6
218.02705	1.2
221.04459	0.6
230.32903	0.4
233.04488	0.6
243.02780	0.9
245.04417	1.2
255.06558	1.3
256.15533	0.5
258.05038	0.5
261.03891	0.8
262.01639	1.5
269.07977	0.6
270.05176	0.6
271.05826	1.3
272.06570	0.7
273.03247	1.7
283.06018	8.1
285.07489	2.2
286.04688	3.6
286.07913	1.9
287.05441	9.0
287.08292	3.1
295.05975	1.8
297.07529	8.0
299.05484	100.0
300.06168	9.5
301.06836	0.7
309.07529	0.8
311.05548	10.2
311.09088	2.0
313.03741	0.6
313.06970	2.7
319.03796	1.9
321.07458	2.4
323.05460	1.7
324.06232	2.2
325.03412	1.9
325.07013	20.2
327.04935	0.7
329.06534	68.7
330.06824	1.7
337.06955	3.2
339.05014	0.8
339.08588	15.6
341.06552	0.6
349.07062	4.0
351.04956	0.9
353.06537	36.0
354.06683	1.0
365.06549	11.0
366.06946	0.5
367.08112	2.1
377.06525	8.3
383.07581	26.8
384.07993	0.9
395.07608	20.9
396.07941	0.7
413.08652	23.4
414.08865	0.9
431.09708	16.2
449.10660	8.1
449.16129	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	2'-Hydroxygenistein 4'-O-glucoside
Peak:m/z	Relative Intensity
53.03951	0.8
55.01860	1.9
55.05494	0.8
57.03414	1.9
58.33523	0.6
61.02906	1.5
65.03938	1.4
65.24874	0.6
67.05482	2.1
68.99791	1.6
69.03431	2.9
70.06576	2.3
71.04975	1.8
71.63419	1.3
72.08144	3.4
73.02913	0.8
79.05480	1.7
81.03404	3.5
81.07031	1.1
82.49555	0.6
83.01326	2.3
83.04964	0.6
84.04440	0.6
84.08125	1.9
85.02902	7.6
85.06534	1.0
86.09700	1.6
91.05470	2.4
93.07009	1.0
95.04958	1.9
95.08602	0.9
97.02882	4.0
97.06540	1.1
98.09679	1.3
98.92271	0.6
98.97651	0.6
99.04430	0.8
103.03934	1.6
105.07019	1.4
107.04945	4.1
107.08569	1.1
108.08121	0.6
109.02856	2.0
109.06494	0.8
109.10132	1.2
111.04413	1.2
119.04924	4.8
119.08550	1.0
121.02848	30.2
121.06475	1.0
121.10111	1.2
123.00771	1.3
123.04416	7.6
123.08073	0.7
124.07551	1.2
125.02325	0.7
127.03899	5.0
133.06465	0.9
134.03661	0.5
134.99655	0.5
135.04375	4.8
136.07556	3.1
137.02341	5.2
137.05920	0.8
139.03918	1.0
141.01828	1.4
145.02843	1.8
145.04924	1.0
145.06535	0.8
147.04390	5.5
148.04733	0.8
149.02327	1.2
149.05923	2.2
149.09692	0.6
150.06322	0.7
151.03897	1.7
152.07036	1.2
153.01845	2.7
153.05458	2.0
159.04526	0.6
161.02373	1.7
161.05884	0.6
163.03899	2.3
163.07564	0.6
164.07079	2.9
165.01816	6.3
167.03400	1.2
167.07034	1.5
169.01308	1.6
173.05901	1.0
175.03949	1.3
175.07549	1.2
177.01828	1.4
177.05466	1.3
179.03418	3.0
181.01268	4.8
181.06494	0.6
182.55145	0.6
183.02867	5.5
186.01579	1.8
186.19804	0.6
189.01797	0.8
189.05328	1.0
191.03375	1.7
191.07135	0.7
193.01300	0.9
195.02916	2.8
197.04315	0.6
199.02347	8.2
199.04004	0.8
200.03053	1.0
201.05472	0.9
203.03378	1.6
205.04863	1.7
207.02841	2.0
207.06461	1.1
211.02313	3.4
213.05331	0.8
217.04959	2.5
219.02806	0.9
221.04445	1.9
227.07043	0.8
229.04959	1.0
231.02870	0.7
233.04442	1.2
241.04967	1.6
243.06496	1.7
245.04456	1.0
247.02267	0.7
253.04706	1.3
255.06573	2.6
257.04401	1.2
258.05457	0.6
259.05817	0.7
261.03934	1.7
267.06534	0.9
269.04416	2.6
270.05109	0.7
271.05957	4.8
272.06781	2.2
277.03363	0.9
279.06464	0.7
283.05942	8.9
284.06625	0.8
285.07452	1.4
285.11191	0.7
286.04678	12.2
286.11621	1.6
287.05481	51.2
287.08780	3.4
288.05573	1.4
293.07858	0.7
295.05957	1.8
296.06677	1.2
297.03860	2.6
297.07520	3.3
299.05466	100.0
300.06110	16.3
301.06927	4.7
307.05865	1.4
309.07419	0.7
311.05518	15.4
311.08868	1.4
312.06097	1.3
313.06946	6.2
321.07471	2.2
323.05521	1.3
324.06271	2.1
325.03696	0.8
325.07025	14.8
326.07303	1.1
327.04971	1.3
329.06509	88.0
330.06870	3.2
337.07028	2.5
339.05084	0.6
339.08566	14.8
341.06577	1.9
349.06949	4.0
353.06512	38.1
354.06799	1.8
359.07605	1.7
365.06485	9.9
366.07202	0.8
367.07962	3.4
371.07587	1.0
377.06494	6.9
383.07556	26.3
395.07550	19.1
396.08252	0.9
413.08621	26.7
413.14087	1.3
414.08984	1.2
417.13190	0.7
431.09549	25.7
432.10089	0.9
449.10675	34.8
449.20087	3.4
449.28500	1.3
450.10956	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	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03931	0.9
54.72383	0.2
55.01864	0.9
56.58113	0.2
57.03431	1.7
58.57180	0.1
61.02924	1.9
67.05492	0.5
68.99779	0.7
69.03423	6.6
69.07044	0.3
70.06573	0.4
70.43035	0.7
71.04971	0.8
72.08141	1.1
73.02912	1.2
73.11590	0.2
79.01843	0.1
79.05470	0.5
80.62984	0.1
81.03413	2.8
81.07059	0.8
83.04964	0.3
84.08136	0.4
85.02898	16.5
85.06538	0.4
86.03266	0.2
86.09681	0.5
87.04465	1.3
91.03912	0.8
91.05456	0.6
93.07017	0.5
95.04937	0.4
95.08588	0.6
97.02879	5.5
97.06513	0.4
98.06042	0.3
98.09697	0.3
99.04436	1.3
101.02347	0.2
101.06047	0.2
103.03930	0.2
105.03363	0.7
105.07013	0.7
107.04948	0.3
107.08603	0.5
109.02213	0.2
109.02882	2.3
109.06499	0.3
109.10172	0.4
111.04459	0.2
113.03465	0.4
114.21652	0.2
115.03929	0.4
116.98634	0.2
119.04955	0.3
119.08588	1.0
120.08897	0.4
121.02935	0.2
121.06532	0.3
121.10130	0.2
123.00768	0.6
123.04375	0.5
127.03899	3.6
131.04901	0.7
131.08543	0.2
132.05264	0.2
133.06451	0.2
133.10086	0.4
134.03595	0.2
135.04369	0.4
135.08044	0.4
135.11720	0.2
136.07553	0.4
137.05960	0.3
139.11147	0.2
141.06909	0.3
145.04947	1.9
145.06450	0.3
147.04401	1.7
147.11664	0.2
149.02322	1.2
151.07457	0.3
152.07028	0.2
153.01817	6.4
153.05431	0.8
157.06442	0.5
159.11728	0.2
161.02377	0.9
161.05968	0.3
163.03871	0.4
164.07056	0.2
165.01833	0.3
167.07033	0.3
171.04358	0.2
175.03862	0.3
175.07478	0.2
177.05464	0.3
177.09029	0.5
185.05960	0.5
189.05453	0.4
197.05951	0.4
199.03902	0.4
201.05547	0.2
203.07037	0.7
205.04747	0.2
207.06439	0.2
213.05426	2.2
215.07080	0.2
216.04201	0.3
217.04993	0.7
229.04968	0.6
231.06488	2.4
241.04932	6.6
242.05389	0.2
259.05994	0.7
269.04419	3.6
270.05048	0.5
271.06021	0.4
285.03915	0.2
286.04678	0.6
287.05472	100.0
288.05795	2.2
295.06018	0.2
299.05563	0.6
311.05475	0.6
325.06934	0.3
329.06500	1.2
413.08832	0.3
413.23495	0.2
431.09506	0.4
431.25168	0.4
439.74823	0.2
449.10800	0.6
449.17899	1.0
449.25974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
50.78921	0.6
51.52126	0.6
53.03956	0.9
55.01862	1.1
57.03430	0.9
69.03445	0.7
69.55884	4.7
69.56298	1.1
70.06586	0.9
70.56384	0.7
71.04984	0.7
72.08144	1.8
79.01850	3.7
79.15027	0.8
81.03418	2.3
81.07029	0.8
84.08125	0.9
85.02919	3.5
91.05473	0.9
97.02892	1.3
99.08092	0.8
101.06058	0.8
109.02848	1.1
119.04929	0.7
121.02870	1.2
122.91538	0.8
127.03907	1.9
135.04434	2.5
137.02335	15.8
141.01759	0.9
144.02098	1.4
147.04425	2.7
149.02361	0.9
161.02364	2.0
163.03931	1.5
165.01866	3.0
167.03433	1.1
167.07060	1.2
173.06030	1.0
179.03313	1.8
181.04971	0.9
183.02887	2.7
187.03886	1.2
189.05449	1.1
191.03436	1.0
201.05453	1.0
212.25444	0.7
213.05385	1.0
217.04961	3.5
229.04936	3.7
233.04489	1.3
241.04797	1.5
243.06508	1.6
244.07315	1.2
258.05179	0.8
259.05862	3.4
261.04004	3.1
271.05966	6.2
272.06775	9.0
274.54105	0.7
275.05466	0.8
283.06042	1.2
284.06812	1.1
287.05484	15.1
287.08383	1.6
299.05490	76.8
300.06238	36.2
301.06982	3.5
311.05490	18.5
313.07050	18.9
321.07620	1.0
324.06219	2.2
325.06995	5.4
327.04938	2.7
329.06534	93.3
330.06836	2.7
337.06952	1.0
339.05042	2.1
339.08636	21.1
341.06528	6.5
343.08047	2.2
353.06561	21.4
359.07648	7.3
365.06610	2.1
367.08160	5.0
371.07745	1.9
377.06631	0.9
383.07553	15.3
395.07623	9.3
413.08664	26.5
414.09100	1.2
431.09729	47.4
432.10049	1.7
449.10773	100.0
450.11023	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	449.1076
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.57652	0.2
57.03422	0.2
61.02901	0.2
67.01849	0.3
67.05483	0.2
68.99786	0.4
69.03416	0.2
69.34772	0.9
69.35203	0.7
69.74755	0.1
70.06573	0.3
71.04977	0.2
72.08154	0.2
75.62871	0.2
79.05481	0.2
79.57253	0.2
81.03418	0.2
81.07052	0.4
84.08135	0.2
85.02889	0.8
86.09708	0.2
88.86743	0.2
91.03946	0.1
91.05479	0.2
95.04964	0.2
97.02888	0.3
105.06969	0.2
107.04948	0.3
109.02879	0.3
121.02850	0.4
122.27010	0.1
122.31148	0.2
123.04420	0.2
123.11608	0.2
127.03926	0.3
129.24937	0.2
135.04407	1.9
137.02313	0.6
147.04388	0.3
151.03864	0.7
153.01831	4.0
161.02341	0.8
163.03940	0.2
165.01833	0.3
167.07066	0.2
171.02846	0.5
173.05960	0.2
179.03349	0.5
183.02963	0.3
189.05487	0.3
203.03377	0.2
217.04898	1.3
241.04959	0.5
245.04405	0.3
245.93651	0.2
259.05927	0.2
269.04401	0.6
271.06171	0.2
283.05966	0.4
286.04468	0.2
287.05469	100.0
288.05765	2.5
297.07401	0.3
299.05475	3.3
300.06210	0.4
311.05426	0.5
325.03494	0.2
325.07031	0.7
329.06558	1.9
336.44608	0.2
339.08710	0.7
353.06439	1.5
365.06451	0.3
377.06500	0.3
383.07666	0.8
395.07681	0.6
413.08478	0.6
431.09656	0.6
449.10614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05004	0.9
58.19658	0.4
60.05616	1.3
70.06557	0.6
71.61382	0.7
72.08138	1.1
79.05475	1.0
83.06070	1.0
84.04484	0.6
85.02898	0.6
95.06079	0.7
105.03378	1.7
105.05776	0.8
106.06538	0.9
111.05562	4.5
113.07070	0.7
115.08687	0.7
120.04469	11.3
123.05478	0.5
126.06631	8.6
130.02904	0.7
132.04448	17.6
132.08057	0.5
134.06004	6.9
135.06404	0.6
137.04623	1.4
140.08110	0.8
144.46259	0.4
146.02339	0.9
147.04390	1.0
151.06134	6.5
161.74100	0.5
168.08835	2.5
180.81119	0.5
185.07156	0.9
202.09750	11.0
216.11273	3.3
224.98630	0.4
230.09227	8.7
231.12227	0.4
232.10754	4.7
233.07961	0.5
242.09222	3.6
257.10327	4.7
259.11893	68.9
260.12195	1.7
277.10306	0.5
277.13022	2.5
277.15622	0.4
281.65085	0.5
284.11353	3.5
301.14093	7.5
302.12463	31.3
303.12656	0.7
319.15094	1.7
360.16772	0.7
362.18228	1.1
406.17178	12.7
430.18082	0.8
431.16638	0.6
448.19376	100.0
449.19797	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	448.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01865	1.4
55.05511	3.8
55.15940	0.7
56.05029	4.6
57.03431	1.2
58.06601	5.0
59.89933	0.6
60.04515	1.1
60.05630	1.7
61.02925	0.7
67.05486	1.4
67.45849	0.6
68.05038	0.6
69.03420	5.8
69.07067	3.3
70.06587	3.6
70.22390	2.9
71.04982	2.4
72.08149	10.8
73.02893	0.8
73.06541	0.8
74.06077	1.4
79.05485	2.1
80.94946	0.6
81.03423	3.1
81.07072	3.2
82.06575	1.7
83.04976	3.4
83.06075	1.1
83.08626	2.7
84.04494	1.8
84.08135	3.1
85.02903	7.9
85.06540	1.2
85.44839	0.6
85.84850	0.6
86.06077	0.6
86.09689	1.0
87.04458	1.0
91.05461	1.3
93.07021	2.4
94.06575	0.7
95.04956	3.2
95.08585	1.6
96.04470	1.0
96.08148	1.0
97.02908	4.4
97.06508	1.2
98.06042	2.5
98.09682	2.9
99.04455	3.8
101.06007	1.0
102.05535	0.7
103.03931	0.8
103.05427	1.1
105.03363	2.1
105.07035	2.0
106.06541	1.0
107.04941	1.9
107.08592	4.6
108.08090	1.7
109.02863	2.9
109.06528	1.9
109.10133	4.1
110.06033	1.5
111.04432	0.8
111.05572	4.6
111.08039	1.0
112.14541	0.6
113.05965	0.7
113.07133	0.7
114.05452	0.8
114.09135	0.9
116.07056	0.8
119.08575	2.2
120.04460	10.0
121.02844	0.8
121.10130	2.7
123.04451	0.8
123.05587	0.9
123.08072	2.4
123.11701	1.5
124.05145	0.8
124.07558	0.8
124.11240	1.0
125.02328	1.6
125.09599	0.9
126.05667	1.3
126.06630	7.9
126.09156	1.3
127.03926	5.6
127.04737	1.1
127.07575	0.7
128.10704	1.4
131.04953	3.1
131.08557	2.3
132.04440	17.8
132.05376	1.4
133.10109	3.3
134.06010	7.9
135.08063	1.6
136.07584	1.8
137.04672	2.1
138.05495	0.9
140.07047	4.6
140.08168	1.6
143.03394	4.4
145.04956	1.7
145.10077	0.8
145.80489	0.7
146.02362	0.9
147.04433	3.7
147.11646	2.0
148.04738	0.8
148.11177	1.0
149.09598	2.0
151.06149	6.6
151.11163	1.4
152.07112	0.8
157.04961	1.1
158.06004	0.9
159.00192	0.7
161.07071	0.6
161.13237	0.9
162.06752	0.7
162.12651	0.7
163.07561	1.4
163.11272	0.8
163.14769	0.8
164.07054	1.4
168.06560	5.4
168.08821	2.1
168.10112	0.8
173.13269	1.9
173.65582	0.6
175.11169	1.2
186.07556	2.4
187.06024	0.7
190.15796	0.9
191.14288	2.1
192.13846	0.9
202.09758	12.2
204.08653	7.4
207.13727	0.9
209.15359	2.8
216.11339	3.0
222.09685	0.7
225.14885	1.2
230.09241	7.9
231.12355	1.0
232.10817	2.8
232.16940	2.1
233.15529	0.9
235.16895	0.7
235.63600	2.0
236.13763	2.1
242.09210	2.9
244.14885	5.3
244.65091	9.4
245.15257	2.5
250.18066	6.1
251.16463	2.0
252.19641	1.4
257.10245	3.9
259.11890	72.7
260.12286	3.2
268.19083	6.3
277.13068	1.6
284.11362	3.1
286.20221	4.2
301.14029	7.1
302.12436	33.6
303.12552	1.6
319.15115	2.0
362.18042	1.3
406.17233	12.9
412.23367	1.5
430.18323	0.7
430.24368	14.7
448.19299	100.0
448.25333	27.4
449.20178	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	448.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01854	1.1
56.96560	1.2
57.03430	1.5
58.06594	0.7
59.42675	0.6
60.83010	0.6
61.02925	0.9
65.03925	1.9
67.05495	4.9
69.03422	7.0
70.06582	2.1
71.01337	3.9
71.61160	0.8
72.08145	5.1
73.02918	1.6
74.53618	0.6
74.84824	0.6
79.05499	3.9
81.03410	4.8
81.05807	1.3
81.07043	1.5
84.08118	1.7
85.02897	11.3
87.04448	0.8
89.02382	3.4
89.10759	0.8
89.70200	0.6
91.05454	1.3
92.05001	1.6
93.05775	1.4
94.06569	0.8
95.04965	1.4
96.04485	0.7
96.08138	2.3
97.02870	4.4
98.41595	0.6
98.97587	1.7
99.04465	1.5
106.06544	24.1
106.47133	0.6
108.08111	94.7
109.02871	2.6
109.08436	1.4
115.03910	0.9
119.04903	1.5
120.04497	1.3
123.05602	0.6
123.06805	6.4
124.07583	24.1
127.03906	7.0
132.04462	1.5
133.92908	0.6
134.04349	0.7
134.06006	15.3
136.06424	0.9
136.07568	18.6
137.08348	0.7
138.05522	1.2
140.07014	0.7
145.04956	2.6
147.04395	9.0
148.04813	1.4
151.06171	0.7
152.07056	74.3
153.07539	1.2
154.08638	0.9
164.07037	0.8
170.08131	17.9
202.09804	0.7
218.11752	2.0
230.09174	1.3
235.14429	2.5
235.64560	0.8
237.02892	1.0
250.10896	0.8
257.10394	0.8
259.11877	6.3
284.11282	0.8
286.19937	0.8
301.14246	1.0
302.12381	3.2
314.12460	1.2
332.13586	1.0
384.12888	0.8
397.56448	0.7
402.14188	0.7
406.17041	1.2
412.12375	3.1
430.13449	25.4
430.19250	1.4
448.14413	100.0
448.19360	7.3
448.24860	2.7
449.14944	2.1
469.28116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
57.07065	0.7
59.05001	0.5
67.05158	0.5
67.05499	4.4
69.03421	0.8
69.07066	4.0
69.63918	3.4
72.18877	0.4
72.57053	0.4
79.05477	1.2
80.70274	0.4
81.07063	3.7
83.04958	0.8
83.08620	1.0
85.10203	0.4
91.05450	0.7
93.07019	2.0
95.08602	9.0
97.10130	0.6
99.08067	0.5
105.07020	1.7
107.08562	1.0
108.05679	0.5
109.06455	0.7
109.10118	1.1
111.08089	0.4
111.11719	0.8
114.30807	0.4
119.08537	0.6
121.06449	0.5
121.10134	0.7
123.08070	9.1
123.11710	1.0
129.06908	0.4
131.08528	0.8
135.08035	2.4
135.11684	0.9
137.05899	0.6
137.13225	1.7
149.02325	0.8
149.09628	0.6
149.13277	0.5
151.07529	100.0
152.07860	2.1
161.09579	1.2
163.11168	0.8
165.05447	0.9
167.05727	0.4
167.07042	1.8
175.11198	1.7
177.09070	1.7
177.16573	0.5
187.11116	0.4
189.08974	0.6
189.12759	2.5
191.10660	7.8
203.14273	0.7
205.12234	3.5
213.47643	0.4
232.03494	0.4
285.07584	1.9
291.26871	0.5
297.27994	0.5
309.27887	1.5
358.98859	0.5
366.85486	0.4
371.29163	0.5
411.32745	2.0
429.33682	6.0
447.35410	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	447.3465
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
51.95032	1.3
55.05267	1.0
55.05508	15.6
57.03430	1.3
57.07074	9.0
67.05495	7.6
67.73936	0.9
69.03428	1.1
69.07064	26.6
71.08614	4.9
71.53986	2.1
78.80946	1.1
79.05467	2.5
81.07053	14.7
83.04957	2.9
83.08613	17.5
85.02905	1.5
85.10175	2.7
86.34623	0.9
91.05476	3.6
93.07024	6.9
95.08595	15.4
97.10172	8.2
105.07001	3.8
107.08569	3.4
109.06507	3.1
109.10154	8.6
111.11700	4.6
119.08569	2.6
121.06477	2.8
121.10114	2.2
123.08020	3.6
123.11698	4.4
125.13284	1.6
131.08559	2.3
133.10144	2.3
135.08015	2.6
135.11690	1.5
137.05957	12.5
137.13226	2.4
137.91806	1.1
139.03865	1.3
139.07527	4.4
139.14836	1.4
141.05428	1.7
143.08560	1.3
145.10135	2.2
147.08008	2.5
149.02338	1.4
149.05969	4.5
149.09593	1.4
149.13211	1.4
151.07524	26.6
159.08040	2.1
159.11766	1.3
161.05965	4.2
161.09625	2.2
163.07486	1.4
165.05475	9.8
165.09128	7.9
167.07025	100.0
171.08072	1.0
173.09581	1.8
175.07549	3.5
175.11125	1.3
177.09082	4.2
179.07043	3.4
179.10683	4.2
181.08580	5.6
188.08362	1.0
189.09027	5.8
189.12656	1.5
191.07014	3.0
191.10657	3.2
192.07860	1.6
193.08604	6.1
195.10057	1.7
201.09067	1.1
203.10727	5.8
205.08606	10.7
205.12279	1.6
207.10159	10.3
217.12254	2.1
219.10158	6.1
221.11725	4.0
231.13788	1.3
233.11620	2.4
234.12628	1.1
235.13364	1.5
291.19479	2.3
303.19955	1.3
319.22787	1.4
333.24081	1.5
375.17688	1.2
401.34418	1.6
411.32529	4.6
429.33548	21.7
447.24850	2.2
447.34644	41.4
457.63916	1.2
464.01422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01868	0.2
55.05504	2.0
57.03413	0.2
57.07051	0.6
59.04954	0.2
65.03925	0.2
67.05496	4.6
69.03413	1.0
69.07058	3.1
70.77736	0.6
71.04974	0.3
71.08602	0.3
79.05483	1.7
81.03385	0.9
81.07050	4.9
83.04958	0.7
83.08612	1.6
85.02890	0.5
85.06548	1.0
85.72279	0.2
86.32247	0.2
91.05434	1.4
93.07034	2.6
95.04957	0.9
95.08596	10.1
97.02856	0.4
97.06537	0.9
97.10154	1.1
99.08006	0.3
101.02363	0.2
103.05441	0.2
105.07024	2.8
107.04919	0.6
107.08581	1.9
108.05738	0.4
109.02877	0.2
109.06493	0.7
109.10152	2.2
111.04424	0.5
111.08070	0.6
111.11684	0.8
115.05431	0.2
117.07018	0.4
119.08580	1.3
121.06481	0.8
121.10125	1.4
123.04424	3.0
123.08057	9.7
123.11692	0.9
125.05953	0.4
125.09604	0.3
125.13256	0.3
127.03883	0.7
129.06952	0.2
131.08545	0.6
133.10081	0.8
135.08020	1.3
135.11705	1.1
137.05923	0.6
137.09532	0.2
137.13194	0.5
139.03870	0.3
139.07530	0.5
143.08591	0.5
145.10123	0.6
147.04344	0.2
147.08073	0.5
147.11684	0.6
149.02328	0.5
149.06006	0.4
149.09590	0.6
149.13278	0.7
151.07523	100.0
152.07895	1.1
153.05424	0.6
157.10091	0.3
159.08000	0.3
159.11667	0.7
161.05852	0.2
161.09615	0.6
161.13255	0.3
162.29900	0.2
163.07526	2.0
163.11145	0.5
163.14832	0.3
165.09113	0.8
167.07014	2.7
167.14429	0.2
169.10075	0.3
171.11583	0.2
173.09567	0.2
175.07520	0.5
175.11154	0.7
175.14709	0.2
176.08356	0.4
177.09129	1.3
179.10735	0.3
187.11218	0.6
189.09068	1.5
190.09813	0.6
191.08907	0.4
191.10651	7.2
191.17900	0.8
193.08553	0.2
193.12283	0.2
201.09052	0.3
201.16313	0.2
203.10626	1.3
205.12204	6.4
209.11652	0.3
209.18994	1.1
213.05544	0.2
217.12265	0.5
219.06458	0.2
229.12230	0.4
231.06726	0.3
231.13887	0.3
247.24129	0.3
265.25330	0.5
270.05194	0.4
272.66690	0.2
283.26407	0.5
285.07562	1.9
285.11209	1.6
291.26779	0.4
297.27838	0.4
309.27921	1.0
383.14771	0.3
411.33014	1.2
429.14966	0.2
429.34073	2.6
447.16769	0.4
447.34665	0.9
448.17688	0.2
453.82437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3466
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
52.46194	10.7
55.05502	17.3
57.07054	11.5
67.05488	18.2
69.01759	10.1
69.07068	65.7
70.07058	61.4
78.51672	12.5
81.07059	36.3
83.08611	28.4
93.07034	11.2
95.08601	24.5
97.05074	11.9
97.10193	14.5
106.51307	10.6
109.10137	16.1
137.05965	12.7
144.80586	10.2
151.07550	26.1
167.07019	100.0
169.08734	10.6
177.09094	14.8
177.12619	12.9
205.08630	17.3
205.30974	10.1
207.10216	16.7
233.30070	10.4
236.59203	10.0
283.62491	10.9
285.07620	21.7
407.05951	11.5
418.08890	13.4
429.33649	40.3
440.82904	10.9
447.34772	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	447.3463
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
53.00310	0.4
55.05497	1.4
57.06819	0.4
57.07073	5.5
67.05496	1.4
69.07058	1.4
71.08630	3.0
76.89355	0.3
79.05472	1.0
81.03392	0.5
81.07052	2.0
83.08607	1.2
85.10187	1.3
91.05470	0.8
93.07029	1.0
95.01315	1.6
95.04947	0.6
95.08602	1.1
97.06496	0.6
98.21529	0.8
99.00798	6.2
99.04441	1.5
103.66862	0.3
105.07010	0.8
107.04981	0.3
107.08565	1.2
109.02888	0.6
109.10157	1.1
111.04379	0.5
111.11700	0.5
111.34141	0.3
113.02375	1.2
113.05989	0.4
117.01855	1.1
121.06520	0.6
121.10145	0.4
123.04398	0.4
125.06018	1.1
127.03875	0.5
131.08513	0.4
133.10124	0.4
135.04424	1.0
135.08032	1.1
135.11717	0.4
137.05978	1.1
137.13271	0.5
139.07535	0.4
145.10165	0.4
149.06009	1.3
149.09529	0.3
150.82326	0.4
151.07524	0.8
153.05447	2.6
155.07033	0.6
163.07547	1.6
163.11142	0.4
165.05519	0.4
167.07059	1.3
177.09096	1.6
181.04930	11.1
181.06508	0.7
183.06483	0.7
187.95656	0.3
191.07050	1.2
191.10718	0.8
195.06517	24.5
199.06049	0.6
205.08609	1.5
209.08078	13.0
219.10107	0.4
221.28355	0.4
222.07590	0.5
223.09642	12.0
237.11201	9.7
251.12799	6.9
265.14337	3.8
279.15881	1.5
285.07834	0.4
293.17401	1.7
307.19012	1.3
321.20514	1.3
335.22131	0.7
363.25418	0.5
391.28302	0.8
401.34082	0.6
429.33688	1.2
447.34668	100.0
448.35141	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3463
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
50.88915	0.5
55.05508	9.9
57.07073	4.1
67.05505	4.5
67.30014	0.4
69.03434	0.7
69.07063	19.1
69.61478	3.7
71.04989	0.5
71.08630	2.4
79.05489	1.9
81.07053	13.2
83.04978	12.9
83.08620	8.2
85.10169	0.7
91.05467	1.3
93.07037	4.8
95.04950	0.5
95.08599	13.7
97.06512	0.9
97.10168	4.9
105.07022	1.7
107.04958	0.6
107.08579	3.6
109.06496	2.5
109.10150	7.1
111.08064	1.8
111.11692	2.8
119.08588	2.6
121.06479	0.8
121.10133	3.5
123.08080	2.8
123.11700	3.9
125.05964	1.0
125.13274	0.7
131.08575	0.8
133.10133	2.0
135.08035	2.0
135.11679	1.9
137.05974	6.8
137.09615	1.7
137.13248	1.8
139.07529	4.7
141.05428	0.6
145.10138	1.4
147.11673	1.4
149.02344	0.6
149.09625	1.3
149.13266	2.0
151.07544	2.9
151.11168	1.2
151.14752	0.6
153.05463	0.7
153.09045	1.1
155.07066	3.5
157.10098	0.6
159.11670	1.9
160.08820	0.4
160.10378	0.4
161.09595	3.8
161.13260	1.9
163.11176	1.3
163.14853	1.1
165.09108	1.5
165.12747	1.8
167.07018	1.0
171.11647	0.5
173.13248	1.2
175.11198	3.3
175.14818	0.9
177.12720	1.7
179.10655	3.0
179.14304	1.1
181.12245	0.8
183.06541	1.4
187.11148	1.1
187.14882	0.6
189.12779	2.8
191.10690	1.2
191.14325	0.6
193.12271	2.6
201.12825	0.8
203.14252	0.8
205.12263	1.1
207.13812	1.6
219.13861	0.7
221.15311	0.9
223.13254	0.5
235.16908	0.5
249.18529	0.8
263.20099	1.3
275.19968	0.9
277.21597	0.6
291.23334	0.6
319.26172	0.7
345.27753	0.8
373.34622	1.5
383.32990	1.4
401.34073	9.0
429.33603	15.1
447.34668	100.0
448.34903	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	447.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.5
57.07062	8.6
67.05494	21.7
69.03451	1.8
69.07059	23.9
69.31391	4.4
69.31805	19.1
71.08625	2.1
79.05480	4.7
80.06297	1.6
81.07044	50.1
83.08609	14.0
91.05436	2.7
93.07043	7.8
95.08598	39.9
97.10177	9.7
98.20763	2.8
107.08561	4.3
109.10142	23.5
111.08086	2.5
111.11709	5.7
114.03384	2.0
119.08652	2.8
121.06503	4.5
121.10155	4.8
123.08053	4.2
123.11684	16.1
125.13204	3.1
135.08043	7.2
137.05965	6.6
137.13197	4.5
139.07521	22.0
149.09602	3.9
149.13286	3.6
151.07524	49.8
151.08649	3.7
155.07060	4.1
159.08054	2.0
163.07486	2.8
163.14941	2.0
165.09105	5.2
167.07027	100.0
168.07535	2.1
175.11250	2.5
177.09073	22.0
191.10649	23.8
205.12221	12.9
275.27338	2.6
319.11853	2.0
389.17224	2.0
411.32211	3.6
419.22275	5.0
429.33411	16.3
447.21552	12.2
447.33777	12.7
448.22095	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	447.3464
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
53.03928	0.7
55.05265	0.8
55.05507	11.6
57.06820	0.6
57.07075	9.3
67.01844	0.9
67.05504	5.2
67.47587	0.5
69.07065	23.9
69.57683	3.9
69.58098	1.2
70.13908	0.5
71.04993	0.6
71.08630	4.1
79.05460	1.1
81.07054	9.1
83.04965	1.8
83.08612	14.6
85.10167	2.5
91.05460	1.6
91.65717	0.5
93.07037	4.7
95.08045	0.8
95.08603	10.5
97.10163	9.0
105.07018	1.5
107.08571	2.1
109.06490	1.8
109.10160	4.6
111.04426	0.6
111.11711	4.5
119.08566	1.8
121.06475	1.5
121.10178	0.9
123.08041	1.6
123.11706	3.1
125.13283	1.6
131.08557	1.1
135.08057	2.4
135.11723	0.9
137.05971	8.7
137.13237	2.4
139.03912	1.3
139.07509	3.3
139.14787	0.9
141.05435	0.6
147.08032	2.5
149.05968	3.3
151.07533	21.6
151.14844	1.4
157.10094	0.7
159.08092	1.1
159.11696	0.8
161.05988	3.1
161.09644	1.3
163.07561	1.1
163.14766	1.0
165.05486	7.9
165.09102	5.7
165.16318	0.6
167.07031	100.0
168.07416	0.9
173.09557	1.2
175.07545	3.1
175.11179	1.1
177.09119	3.6
179.07050	2.8
179.10658	2.1
179.17969	1.0
181.08563	3.9
185.09615	0.9
187.11218	1.2
189.09091	5.2
189.12683	0.8
191.07069	3.3
191.10754	2.0
192.07800	0.9
193.08572	6.7
195.10173	1.8
199.15063	0.6
201.09178	1.1
203.10655	4.4
205.08611	10.0
205.12204	1.9
207.10162	10.1
215.10696	1.3
217.12213	3.3
219.10155	5.7
221.11769	4.0
231.13843	1.8
233.11728	2.7
235.13316	2.2
247.13326	1.7
249.14928	1.3
259.16995	0.8
263.16409	1.2
273.18491	0.8
277.17963	1.0
285.18744	0.8
287.19952	0.6
291.19556	1.5
305.21252	1.6
317.20990	0.7
319.22855	1.2
347.25885	1.5
373.27618	0.8
401.34274	1.4
411.32584	5.0
417.33481	0.6
429.33643	21.5
430.34445	0.7
447.34689	36.6
448.34756	0.8
448.41592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3466
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
50.82087	0.6
53.03945	0.7
55.01864	0.9
55.05264	0.9
55.05507	13.0
57.03423	0.7
57.07076	8.3
64.91636	0.6
65.03925	0.6
67.01850	1.1
67.05499	7.7
69.01933	0.7
69.03410	0.9
69.07060	20.7
70.15829	2.3
70.16235	1.2
71.08624	6.8
79.05470	2.7
81.07047	12.0
83.04970	2.4
83.08609	14.5
85.10175	3.6
91.05456	3.7
93.07043	11.5
95.04957	1.9
95.08054	0.8
95.08609	12.2
95.52484	0.7
97.10156	10.6
105.07009	2.2
107.08609	4.1
109.06505	2.5
109.10162	6.3
111.11692	4.8
117.06999	1.8
119.04850	0.8
119.08577	1.9
121.06493	2.7
121.10119	2.1
123.04417	1.4
123.08058	2.5
123.11674	2.6
125.13245	1.8
131.08537	1.9
133.06503	1.0
133.10112	1.4
135.08047	2.0
135.11681	1.5
137.05959	9.2
137.13260	1.8
139.03905	1.7
139.07523	4.7
141.05441	7.0
143.08504	1.1
145.10056	1.6
147.07999	1.5
147.11684	0.8
149.05963	5.8
149.09622	2.1
149.13242	1.1
151.07530	16.2
151.14796	1.1
154.16423	0.7
157.10130	1.1
159.08040	1.9
159.11673	2.8
161.05942	2.6
161.09537	1.0
163.07506	1.7
163.11160	1.1
163.14873	0.9
165.05460	6.6
165.09077	3.6
167.07025	100.0
168.07324	1.0
172.08871	0.7
173.09636	2.4
175.07570	3.7
177.05484	1.4
177.09056	4.0
178.06236	1.2
179.07033	2.8
181.08577	3.0
185.09637	0.8
187.07523	1.1
187.11159	2.0
189.09076	3.5
189.12761	0.7
191.07002	8.5
191.10661	2.7
192.07687	1.5
193.08577	4.8
193.19473	0.8
201.09090	2.8
203.10626	2.0
204.07790	1.1
205.08611	12.5
205.12247	3.5
207.10129	6.6
211.72195	0.6
215.10637	4.2
217.12378	1.0
219.10159	7.4
221.11716	2.4
229.12181	1.5
233.11726	5.2
234.49846	0.7
235.13408	0.9
247.13235	2.3
249.25778	0.7
261.14963	0.8
263.27237	1.8
275.27420	1.7
333.24356	0.8
341.95209	0.6
342.50375	0.7
347.25885	1.2
373.27408	0.8
383.33054	1.1
401.34100	1.4
411.32480	3.5
417.33664	1.6
426.18781	0.8
429.33649	13.6
447.34567	8.3
461.19543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3082
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
55.05500	1.6
59.90653	0.9
67.05505	1.3
69.07044	2.1
70.50712	0.7
75.12053	0.7
81.07024	2.4
88.32198	0.9
93.07029	1.7
95.08600	2.7
105.07001	1.7
107.08598	1.2
109.10178	1.1
113.09448	0.9
119.08568	0.9
121.10120	0.9
123.08046	0.8
125.05983	1.7
128.94545	0.8
131.08606	1.0
133.10194	1.3
137.13211	0.7
137.66592	0.7
145.10057	0.9
147.11688	1.0
149.02293	1.6
151.07555	6.4
153.05455	2.2
161.13309	0.8
165.01593	26.6
165.05492	1.1
167.07060	1.4
206.04337	1.6
285.07578	1.9
305.28168	2.7
403.32184	0.8
429.29749	1.7
447.30756	100.0
448.31171	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	447.31
Annotation	Mexogenin
Peak:m/z	Relative Intensity
53.03928	2.0
55.01862	2.2
55.05499	8.6
57.03420	4.0
57.07047	1.2
67.05502	22.3
69.03432	2.0
69.07058	9.3
71.04984	2.9
79.05486	18.8
81.03448	1.9
81.07052	26.8
83.04966	2.5
83.08611	8.8
85.06550	1.6
91.05463	21.9
93.07040	22.1
95.01340	1.2
95.04960	4.5
95.08607	18.3
97.06511	2.6
97.10175	2.4
99.00787	2.6
99.08022	1.4
105.07027	23.7
107.04947	1.4
107.08585	14.5
109.06481	1.8
109.10149	7.3
111.08061	1.9
115.05424	1.3
117.07010	9.2
119.07801	1.2
119.08585	15.9
121.06464	1.6
121.10147	9.7
123.04452	1.2
123.08047	2.6
123.11672	2.1
125.09620	1.7
128.06149	1.6
129.06985	7.7
131.08563	19.2
133.10126	10.3
135.08051	1.5
135.11702	5.0
139.07497	1.3
143.08546	6.9
145.10121	12.2
147.11653	6.3
149.02373	1.5
149.09593	2.0
149.13223	1.6
151.07518	2.1
153.05463	1.1
155.08533	4.2
157.10106	7.1
158.56866	1.2
159.11678	6.9
161.13245	3.1
163.07500	3.1
167.06995	7.2
169.10104	4.4
171.11656	7.4
173.13251	2.3
175.07625	1.4
175.11188	1.3
175.14824	1.7
181.04968	4.2
183.11691	3.9
185.13261	5.0
187.14729	1.3
189.16354	1.5
195.06537	10.4
197.13251	3.4
199.14787	3.5
203.14308	1.1
209.08087	4.9
211.14854	1.5
212.28917	1.1
213.16481	1.6
223.09639	5.4
225.16394	2.2
237.11261	4.8
243.17455	2.7
247.16866	1.2
251.12842	3.3
257.19012	2.6
261.18536	1.9
265.14252	2.0
275.20105	1.6
293.27139	1.2
318.28015	2.2
327.26581	1.6
335.22098	1.4
337.25204	8.9
349.23679	2.1
355.26254	15.0
373.27396	5.4
391.28369	2.1
393.28293	1.2
411.28839	1.6
429.30054	15.0
447.31036	100.0
448.31360	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2501
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
54.66725	1.2
55.01862	2.2
55.05506	17.5
57.03431	24.6
57.07074	6.0
58.06583	1.0
65.03920	2.7
67.05495	45.9
69.07062	19.0
70.23917	3.4
70.24339	2.4
71.04965	1.4
71.08627	2.6
77.24445	1.1
79.05485	23.8
81.07046	51.7
83.04958	1.7
83.08601	12.7
89.25754	1.3
91.05455	12.7
91.39403	1.1
93.07032	30.0
95.04963	4.1
95.08592	36.5
97.06536	2.5
97.10163	9.2
98.21424	1.7
98.98460	15.8
105.07007	14.2
107.08577	18.6
109.06541	1.4
109.10147	20.9
109.10831	2.3
111.08053	2.6
111.11755	1.4
113.00002	76.8
117.07009	3.2
119.08572	9.3
121.10133	15.4
123.08044	1.3
123.11690	7.3
131.08554	5.8
133.10132	7.9
135.11676	11.5
136.99971	19.2
137.13258	3.4
145.10112	4.2
147.11667	6.3
149.02373	1.7
149.13234	6.3
155.01016	14.8
159.11681	6.0
161.13243	3.6
163.14807	4.4
167.06989	3.8
169.02596	20.0
173.13200	3.9
175.14755	1.9
187.03642	10.2
187.14760	1.8
193.02559	3.0
201.16330	1.6
206.11853	1.2
211.03650	2.9
217.07407	1.3
237.22092	2.4
243.21071	6.0
261.22116	13.2
266.44318	1.2
275.49628	1.4
279.23157	2.1
285.07520	2.0
311.25754	13.4
317.24875	6.4
335.25754	100.0
336.26077	4.0
351.27286	1.3
429.30258	1.5
447.14737	1.3
447.25031	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01862	0.7
55.05492	2.4
56.96559	0.8
57.07070	0.9
58.30649	0.5
61.02925	1.1
65.03920	0.7
65.52953	0.6
67.05501	7.8
67.05833	1.0
68.99787	1.5
69.03423	3.4
69.07068	7.0
70.68452	1.0
70.68822	1.8
71.04960	0.9
79.05491	6.8
81.03405	1.9
81.07056	6.3
83.01357	0.7
83.08616	1.2
85.02892	2.9
85.49493	0.6
91.05469	8.0
93.07035	6.9
95.04963	5.4
95.08591	5.4
97.02889	2.2
97.10164	0.7
103.05450	2.1
105.03379	1.0
105.07025	11.1
107.04953	2.0
107.08577	6.4
109.02840	0.7
109.06506	2.2
109.10149	3.0
115.05468	2.5
117.07020	4.2
119.04935	2.0
119.08578	4.4
121.06535	3.4
121.10143	4.8
123.04420	100.0
123.08057	1.7
123.11707	1.3
124.04768	2.0
127.03896	1.3
128.06227	0.9
129.06978	1.3
131.04950	0.7
131.08559	0.8
133.06485	4.4
133.10114	2.3
135.04416	10.8
135.08040	1.6
135.11729	1.5
137.05972	9.9
139.07495	1.1
141.07013	0.6
142.23276	0.5
143.08556	1.7
145.06451	4.9
145.10107	1.6
147.04393	5.6
147.07994	3.1
147.11688	1.3
148.05231	0.7
149.02373	1.3
149.05978	14.5
149.09602	0.6
149.13252	1.4
151.07536	10.1
151.08694	0.4
153.05469	1.7
157.10121	0.7
159.08076	1.2
159.11624	1.3
161.05972	13.3
161.09616	1.4
161.13235	0.7
163.07532	35.4
164.07887	1.4
165.05450	2.1
167.05614	1.1
167.07022	11.9
167.10840	0.6
171.08054	1.4
171.11588	0.6
173.05977	4.8
173.09602	1.1
173.13245	0.6
174.06720	1.0
175.07513	8.4
177.09180	1.1
185.06021	1.2
187.07613	4.1
187.15103	0.9
189.05511	1.0
189.09087	3.2
189.16321	1.4
191.10637	9.7
199.07573	2.4
200.08395	0.7
201.09103	1.9
203.10657	3.9
213.09061	1.6
215.10616	1.4
217.12239	3.2
225.09148	1.0
227.10718	0.8
229.12321	0.9
241.12262	1.2
243.13754	4.2
245.15427	0.7
249.36076	0.6
255.13789	5.2
264.75180	0.6
267.10251	2.1
269.15414	3.6
271.09656	9.1
283.09650	2.6
285.08051	1.2
285.11188	34.1
286.11508	2.6
295.09695	0.7
297.11285	1.2
309.11295	1.2
311.12854	1.0
311.20078	5.9
323.12665	1.5
325.14218	1.1
325.21713	2.5
327.12170	1.4
329.14386	0.6
337.14532	1.0
339.15842	4.2
349.16852	0.8
367.18243	1.0
369.24359	0.7
371.28741	0.7
377.17383	0.8
384.71863	0.6
385.26471	0.6
391.18961	17.6
429.25479	0.9
447.16586	6.9
447.25180	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	447.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
53.25858	0.5
55.01877	0.9
55.05516	4.5
56.05027	0.7
57.03429	1.2
57.07086	0.7
58.06585	1.7
59.05002	0.6
60.04512	1.6
66.30125	0.5
67.05495	4.6
69.03431	4.4
69.07066	9.0
70.03532	1.4
70.03968	1.7
70.06587	2.4
71.04987	2.1
72.08146	6.2
73.02908	1.5
79.05479	0.6
81.03415	3.9
81.07056	0.9
83.04966	3.1
84.08138	62.1
85.02908	8.6
85.06516	2.8
85.08472	1.4
87.04459	0.7
91.05862	3.8
93.05482	0.9
95.04954	3.8
96.04483	0.6
97.02897	5.8
97.06541	1.0
98.06065	2.6
98.78808	0.5
98.97588	0.8
99.04441	2.2
100.11241	3.7
101.06011	5.7
103.03956	0.5
103.05428	0.8
104.61293	0.6
105.07015	0.7
107.04923	0.8
109.02897	2.9
111.04431	0.9
111.05534	0.8
112.07590	5.0
116.98554	0.7
119.04969	1.1
120.04434	1.7
121.02892	0.9
121.06508	0.8
121.10131	0.7
122.05994	2.6
123.04403	0.7
123.08049	0.6
124.07566	1.2
126.05545	1.3
126.06612	1.1
127.03893	4.5
128.10707	33.0
131.04951	2.7
132.03511	0.6
132.04439	1.8
132.05270	1.6
133.10150	0.8
134.05956	0.9
136.07582	1.2
137.02353	0.6
137.05894	0.5
138.05525	0.7
138.09108	0.7
140.07036	6.3
145.04964	1.3
146.11734	5.2
147.04404	5.9
149.02332	1.9
149.05989	1.5
151.06104	0.6
152.07182	0.6
154.08600	1.0
158.08113	4.8
161.05981	0.8
163.03964	0.8
163.07549	1.6
164.07953	0.7
166.06271	1.3
167.05609	1.7
167.07054	2.6
168.06577	2.5
181.08693	2.0
182.08087	3.8
188.12817	0.8
200.09210	1.6
202.09764	1.7
216.11293	0.7
218.11728	0.7
224.09174	0.9
225.04276	1.0
230.09132	0.8
235.14430	1.0
242.09297	0.6
243.14035	0.5
259.11902	8.6
268.18979	0.7
272.15088	1.0
284.11346	0.8
285.04037	0.7
290.16046	3.3
301.14063	0.8
302.12405	5.0
305.02560	0.5
361.02698	2.0
406.17203	1.7
429.22870	1.0
430.23926	0.7
447.23404	100.0
448.19257	11.0
448.24249	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	447.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11381	0.3
53.03927	0.7
53.07917	0.3
55.01864	1.0
57.03427	0.8
61.02912	1.2
65.03928	0.8
67.05502	2.6
68.99783	0.4
69.03426	3.6
71.01326	0.9
71.09760	0.8
72.08099	0.5
73.02895	1.2
77.03889	0.3
79.05479	4.1
81.03410	1.6
81.07045	1.4
83.04975	0.4
85.02897	6.0
86.09689	0.9
87.04462	0.7
91.05460	5.1
93.07051	0.8
95.04958	4.5
95.08596	0.8
97.02885	2.8
99.04426	0.5
101.02390	2.3
103.05441	1.9
105.03362	1.1
105.07022	12.6
106.23968	0.3
107.04949	0.7
107.08555	0.6
109.02862	0.9
109.06506	0.7
113.06080	0.3
115.03916	1.3
115.05446	4.1
117.07019	4.4
119.04963	1.4
119.08567	0.8
121.06479	0.8
121.10199	0.4
122.38705	0.3
123.04420	100.0
123.08043	1.3
124.03945	0.3
124.04768	1.3
125.02345	1.0
127.03909	1.1
130.06543	0.4
133.06477	5.0
135.04422	0.6
135.08051	1.1
137.05946	1.0
143.03381	2.7
145.06474	8.0
147.04413	2.9
147.08040	6.8
149.05986	2.8
151.07535	34.7
157.07602	0.4
161.05946	1.3
161.07138	1.0
163.07530	85.9
164.07851	1.3
165.05508	2.1
165.09096	2.1
173.07101	0.4
175.07527	15.1
176.07898	0.3
177.05481	0.7
177.09077	1.0
179.08556	0.7
180.57745	0.3
181.10123	0.4
183.02747	0.3
189.05455	0.8
193.08553	0.5
194.07338	0.5
195.08063	0.4
201.05434	0.4
207.08148	0.3
209.09573	0.8
211.11171	0.5
219.02902	1.2
225.08971	1.6
229.05002	0.5
237.09132	0.9
239.10689	1.1
247.06047	1.0
256.06970	0.3
265.07068	1.3
267.10120	3.9
270.05273	0.4
283.08133	0.6
285.11191	70.7
286.11630	1.3
287.12732	6.0
293.10092	0.4
299.12988	0.4
311.12781	0.5
315.12332	0.4
316.16479	0.6
323.13138	0.3
329.13956	0.5
339.12231	0.6
411.14792	0.4
447.16522	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	447.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55769	0.5
53.03936	1.0
55.01869	1.3
55.05504	1.9
57.03432	1.3
57.07057	0.4
59.04983	0.4
60.33739	0.4
61.02925	1.0
65.03944	1.1
67.05493	5.4
68.99792	0.5
69.03424	4.9
69.07059	3.4
69.98859	2.5
71.01347	0.9
71.04989	0.9
73.02913	0.5
75.97388	0.4
79.05485	6.0
81.03413	2.0
81.07049	6.7
83.04971	1.3
83.08609	0.6
85.02895	6.7
85.06550	2.6
87.04465	0.9
91.05457	6.9
93.07028	4.8
95.04956	5.0
95.08595	6.9
97.02893	4.3
97.06522	1.8
97.10172	1.1
99.04443	1.1
99.08064	0.5
101.02365	1.8
101.06084	0.5
103.05469	2.1
105.03367	1.4
105.07023	15.4
107.04956	0.7
107.08579	4.3
109.02854	1.2
109.06515	1.8
109.10136	3.8
111.04445	1.2
111.08077	0.7
115.03911	0.5
115.05424	4.4
117.06997	4.7
119.04932	0.9
119.08556	1.9
121.06474	1.9
121.10065	1.9
123.04411	100.0
123.08014	3.7
123.11660	2.3
124.04752	0.8
125.02349	1.3
125.05986	1.0
125.09604	0.6
127.03888	1.8
128.06152	0.5
129.06995	0.8
131.08565	1.2
133.06473	6.0
133.10107	1.6
134.65645	0.5
135.04472	0.7
135.08015	2.3
135.11671	1.8
137.05966	1.3
137.09648	1.0
137.13225	0.7
139.07567	0.7
139.11166	0.5
143.03395	2.9
143.08516	0.9
145.05115	0.6
145.06467	8.2
145.10117	1.2
147.04372	3.5
147.08011	6.6
147.11676	0.9
149.05978	2.9
149.09583	1.3
149.13278	0.8
151.07523	56.8
152.07866	1.1
153.01782	0.4
153.05467	1.6
155.08618	0.6
157.10129	1.0
159.07970	0.4
159.11678	1.2
160.05228	0.7
161.05945	2.0
161.07135	0.8
161.09596	0.8
161.13216	0.9
162.06700	0.6
163.07521	90.3
163.11180	1.4
164.07869	0.7
165.05428	1.9
165.06807	0.5
165.09077	2.9
165.12828	0.5
167.07066	2.8
167.08334	0.6
169.10197	0.6
171.07910	0.4
171.11664	0.9
173.05925	0.5
173.09627	0.8
175.07526	15.7
176.08275	0.9
177.05507	0.5
177.09097	3.1
177.16399	0.4
181.12236	1.4
187.14832	0.6
189.05470	0.7
189.09123	0.7
191.10631	8.1
192.10904	0.5
193.08578	0.8
195.08105	0.5
199.14804	0.6
201.05499	0.5
201.09190	0.4
203.10596	0.8
205.12222	6.4
206.12526	0.5
209.09622	1.1
212.75327	0.4
215.10539	0.6
217.12196	0.7
225.09114	1.1
229.05087	0.5
231.13824	0.6
239.10637	1.6
245.15204	0.5
247.06015	1.2
259.95566	0.4
261.14883	0.4
265.07132	0.6
267.10187	4.1
269.97055	0.4
270.05127	1.5
277.25211	0.5
285.07651	6.0
285.11148	70.1
286.11508	1.3
287.12778	5.5
315.12201	0.6
323.12537	0.5
411.14108	1.0
411.28650	1.4
429.14471	0.7
429.29880	1.9
447.16547	10.7
447.26224	0.7
447.31662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01870	0.5
55.05508	1.5
56.05023	0.3
57.03421	0.6
67.05495	0.4
69.03415	2.4
69.07062	0.6
70.06584	1.7
71.04993	1.5
71.62656	0.3
72.08149	4.0
73.02877	0.4
75.04481	0.7
79.05496	0.8
81.03413	4.4
81.07051	0.5
82.06575	0.4
83.04984	0.4
84.04507	0.5
84.08138	2.0
85.02891	6.4
85.06541	1.0
86.09708	2.1
89.10845	0.3
91.05466	0.8
93.07029	0.5
95.04963	0.5
95.08610	0.4
97.02882	2.5
97.06494	0.3
98.06052	0.3
98.09702	1.2
99.04438	1.9
102.05551	0.3
103.03936	1.4
105.07030	0.4
107.04920	0.4
107.08562	0.4
108.89478	0.2
109.02869	10.3
112.07564	0.3
113.05996	8.9
117.05482	19.7
118.04142	0.3
119.04926	2.0
120.08088	0.4
121.02862	0.5
121.10149	0.3
122.05994	0.3
122.06805	0.3
123.04462	0.8
127.03905	100.0
128.04243	0.7
128.49963	0.2
129.10211	1.0
131.04829	0.3
131.08572	0.3
133.06467	0.3
134.03665	0.5
136.07587	0.8
137.02292	1.2
140.07043	0.3
141.05453	25.7
142.05779	0.4
145.04956	1.3
147.04399	6.5
147.05511	0.5
148.04771	0.5
149.02309	0.6
153.01845	0.4
159.06520	7.7
159.07878	0.4
163.03844	0.3
163.07529	0.8
167.06995	0.9
169.04872	0.3
169.09891	0.3
177.05443	0.3
177.06113	0.3
177.07497	1.6
183.07986	0.3
183.41245	0.2
187.04033	0.2
187.05983	1.0
197.05936	0.5
198.24944	0.2
203.03244	0.3
205.07068	1.0
213.05463	0.8
214.06227	0.5
218.11841	1.2
225.05577	1.4
229.05011	0.4
229.08606	0.6
233.20082	0.6
242.05574	0.4
253.04944	2.8
257.04492	0.3
269.04269	1.2
270.05191	7.2
271.08279	0.5
271.99707	0.3
285.07535	34.0
286.05072	0.4
286.07892	1.1
293.95908	0.3
294.05112	0.3
295.05734	0.3
296.06375	0.5
307.06253	0.3
309.06500	0.4
321.11618	0.3
339.07693	0.8
341.13980	0.4
376.16373	0.3
381.16135	0.9
393.08463	0.7
408.66568	0.3
411.09814	0.7
429.10382	0.7
447.12692	1.8
447.17352	1.4
447.24460	0.7
447.72659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05500	0.6
57.03425	1.0
61.02911	1.0
63.75354	0.3
67.05488	0.8
69.03084	0.3
69.03428	4.4
69.07027	0.5
70.06581	0.6
71.04961	0.9
71.62412	0.5
71.62785	0.3
72.08154	1.6
73.02888	0.5
79.05450	0.8
81.03399	1.5
81.07030	0.6
83.04984	0.3
84.08122	0.6
85.02415	0.6
85.02898	7.9
85.06531	0.5
86.09692	0.6
87.04424	0.6
91.03941	0.5
91.05440	0.5
93.07039	0.7
95.04945	0.5
95.08595	0.7
97.02893	2.2
97.06541	0.5
99.04418	0.7
105.07035	1.0
107.04943	0.6
107.08603	0.7
109.02868	1.4
109.06491	0.5
109.10180	0.4
110.02392	0.4
119.04958	0.5
119.08597	0.5
121.02860	0.6
121.10075	0.4
123.04422	2.3
126.08950	0.3
127.03912	2.3
131.08575	0.5
134.03632	2.6
136.07619	0.3
137.02339	5.3
137.05956	0.7
137.09692	0.3
141.06989	0.6
145.04935	0.7
147.04407	1.5
148.04750	0.4
149.02327	0.9
151.07529	0.8
156.10765	0.3
162.09061	0.4
163.07549	1.9
163.11133	0.5
167.06993	0.7
169.06479	0.5
179.03349	0.4
180.10196	2.7
181.06456	0.4
183.02759	0.4
183.04333	0.4
186.06755	0.7
197.05954	1.4
198.06573	0.4
213.05463	2.6
214.06232	2.7
216.56790	0.3
225.05492	6.3
229.08623	1.1
242.05756	0.8
251.51392	0.4
253.04926	10.8
257.04248	0.6
269.04446	2.1
269.08151	0.3
270.05206	17.7
285.07556	100.0
286.05142	0.4
286.07904	2.4
327.05048	0.4
327.08502	0.6
339.07675	0.9
376.15836	0.4
447.10507	0.6
447.17584	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1282
Annotation	Glycitin
Peak:m/z	Relative Intensity
50.66586	0.1
55.57016	0.1
58.17376	0.1
58.84530	0.1
67.42273	0.1
71.02882	0.4
73.23333	0.1
74.32973	0.1
107.04947	0.2
118.04137	1.8
123.04375	0.3
124.01530	0.3
144.93114	0.1
152.01025	0.9
153.00696	0.2
153.01817	2.6
163.03786	0.2
167.65280	0.1
170.02080	1.5
229.08545	0.3
242.05746	0.7
248.43866	0.1
264.64505	0.1
269.04440	5.8
270.05212	19.1
271.05603	0.5
285.07556	100.0
286.07928	3.3
344.95819	0.2
447.12830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1287
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.03925	0.2
55.01832	0.2
55.05491	0.3
57.03426	0.6
61.02916	0.8
67.05478	0.2
69.03419	2.4
69.07044	0.2
70.06594	0.7
71.02655	0.2
71.03028	0.3
71.04956	0.5
71.05308	0.1
72.08148	1.1
73.02885	0.6
79.05466	0.2
79.49345	0.1
81.03412	0.8
81.07035	0.3
84.04478	0.2
84.08096	0.5
85.02901	3.7
85.06531	0.2
86.09702	0.6
87.04420	0.5
91.03925	0.2
91.05430	0.4
93.07066	0.2
95.04926	0.2
95.08564	0.3
97.02892	1.2
98.06021	0.2
98.09645	0.3
99.04429	0.3
103.03922	0.3
105.07005	0.2
107.04910	0.4
107.08535	0.2
109.02827	0.6
109.06531	0.1
110.07095	0.1
114.10252	0.2
117.06991	0.1
118.03358	0.2
118.04132	2.4
118.04919	0.2
119.04994	0.7
121.02805	0.4
121.06429	0.2
121.10154	0.2
123.04392	0.4
124.01531	0.6
127.03912	1.4
129.10178	0.2
133.10158	0.1
136.07526	0.2
141.05411	0.1
145.04993	0.3
147.04391	1.4
149.02347	0.2
152.01027	0.7
153.01807	3.9
163.03868	0.4
167.03377	0.3
167.05589	0.2
167.07034	0.2
168.05704	0.1
170.02101	2.0
176.66760	0.1
177.05484	0.2
183.08089	0.2
193.12160	0.1
208.71539	0.1
213.05396	0.4
214.06174	0.2
218.11768	0.2
229.08609	0.4
239.06932	0.1
242.05698	1.1
253.04935	0.2
255.06543	0.5
257.08121	0.5
267.06519	0.2
269.01474	0.3
269.04428	8.7
270.05206	29.7
271.05429	0.8
283.05969	0.6
284.06799	0.3
285.07541	100.0
286.07880	2.7
293.04337	0.2
294.05127	0.2
295.06082	0.1
296.06372	0.1
297.07022	0.1
301.07071	0.2
302.12698	0.1
309.07193	0.5
310.07452	0.2
313.06726	0.1
321.07150	0.2
327.08600	3.1
339.08072	0.3
341.14029	0.2
345.99387	0.1
351.08511	0.3
381.09073	0.2
387.13184	0.2
393.08966	0.2
411.09540	0.2
429.10767	0.4
429.16559	0.3
447.12833	43.4
448.13159	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	447.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15640	0.1
56.17966	0.1
57.45005	0.1
61.24855	0.1
70.88864	0.5
74.18044	0.1
80.42865	0.1
85.58273	0.2
93.73130	0.1
95.99217	0.1
107.04913	0.3
112.26196	0.1
118.04141	1.7
124.01531	0.3
148.16393	0.1
152.01047	0.7
153.01801	2.5
163.03841	0.2
170.02104	1.3
217.00916	0.1
229.08566	0.3
242.05774	0.5
247.02174	0.1
266.96301	0.1
269.04425	5.7
270.05203	18.9
270.57297	0.1
271.05533	0.6
285.07550	100.0
286.07910	2.2
421.83713	0.1
447.12817	0.8
454.73782	0.1
466.17184	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	446.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04050	2.6
53.03929	3.3
55.01848	6.2
57.03430	5.1
57.95969	2.5
62.99821	2.9
69.03436	18.3
69.07037	2.5
70.06576	8.1
71.01332	8.5
71.04982	5.0
71.60637	2.7
72.08153	22.0
73.02905	7.9
73.04744	4.1
79.05470	2.8
81.03407	16.9
83.04974	3.1
84.08127	8.8
85.02428	3.4
85.02901	47.2
87.04462	4.1
87.08102	3.2
88.03949	2.9
89.10802	2.9
91.05804	32.0
92.05698	3.0
93.99231	2.2
95.01333	2.5
97.02877	16.1
97.06513	4.8
98.06103	3.0
98.09684	5.6
98.97518	2.8
99.04446	9.8
100.07602	2.5
104.07004	2.2
107.04968	2.5
109.02872	19.9
110.02419	2.4
114.07395	2.7
119.04922	3.5
121.10129	3.1
123.00777	44.2
124.11200	5.9
125.05986	4.4
125.11527	2.6
127.03916	31.3
128.08083	2.2
137.05896	2.3
138.05460	5.7
140.06982	3.3
141.00723	5.1
141.01820	100.0
145.04970	19.1
147.04398	28.9
152.07050	5.0
159.02890	3.6
167.05557	12.3
167.06917	4.0
168.05678	3.5
169.09734	2.2
173.04243	2.7
180.10179	2.7
198.11278	9.4
199.06091	2.4
218.11771	7.2
225.04219	3.0
228.13074	2.5
235.14407	6.4
235.64479	3.1
243.14218	3.2
256.15491	3.2
265.19031	3.2
266.19513	4.1
267.04944	10.5
284.11435	2.8
284.14551	3.8
285.06009	35.7
323.98218	2.9
342.01852	2.2
359.02658	4.2
360.02811	17.4
361.02603	6.2
428.23105	2.6
430.08658	2.8
446.16345	17.5
446.20660	6.9
446.25757	17.7
469.28024	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	446.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45433	0.3
53.03933	0.6
55.01863	2.4
55.05489	1.7
57.03406	1.1
58.06336	0.5
58.06593	6.6
59.04983	0.5
61.02898	1.3
67.05492	0.7
68.05011	0.5
69.03425	4.3
70.06583	9.7
71.01314	0.6
71.04977	0.9
71.60431	0.5
71.87286	0.3
72.08143	3.6
73.02895	1.2
73.04742	0.7
73.08473	0.4
79.05484	2.4
81.03408	1.9
81.07054	3.8
82.06567	0.5
84.04475	0.5
84.08139	3.8
85.02900	7.8
85.08495	0.4
86.09681	0.9
87.04469	2.9
89.10790	0.6
91.05826	4.1
93.07018	0.7
94.06558	0.7
95.08597	0.6
96.08102	1.2
97.02874	3.8
97.06520	21.8
98.06026	1.1
98.09084	0.6
98.09682	8.5
98.97517	0.6
99.04386	0.9
99.10033	0.4
100.07584	0.9
101.05975	0.8
101.91422	0.4
105.07059	0.4
107.08575	0.4
108.08115	1.6
109.02858	1.3
109.06498	0.5
109.08920	0.4
110.09681	0.9
111.04402	0.6
114.07375	0.5
115.03905	0.6
116.06982	0.4
116.98611	0.6
117.06985	1.1
119.04896	1.2
121.06476	0.8
123.04398	0.4
123.08009	0.6
124.07571	0.4
124.11217	23.9
125.05985	13.4
125.73170	0.4
126.09243	0.4
127.03949	1.8
128.10715	0.6
128.98550	0.5
134.99602	0.4
135.08025	2.7
136.06161	1.2
138.05476	1.2
140.06990	0.4
142.12238	0.5
143.07013	0.9
145.04913	0.7
146.11800	0.4
147.04399	8.7
148.04697	1.3
151.07620	0.4
152.05667	2.4
152.10678	0.8
161.01122	0.5
161.05893	0.4
162.46791	0.4
163.07541	1.0
167.05511	1.7
167.06822	0.4
177.00662	0.7
181.08603	0.7
189.04297	0.5
194.11726	1.5
199.05905	0.4
205.03650	0.4
212.12785	4.4
218.11705	2.5
219.12076	0.5
224.12793	37.8
225.13202	0.6
226.14325	1.8
226.63037	0.6
227.02177	0.5
235.14404	4.6
235.64465	0.9
237.02808	0.4
242.13617	2.4
242.65387	1.9
254.13919	0.8
266.13870	2.0
266.17474	3.6
269.10260	0.6
284.18497	11.2
290.15891	1.3
310.56628	0.4
314.16037	1.1
326.16159	0.6
343.99677	0.5
356.16833	2.4
359.02835	1.0
360.02951	2.5
361.02579	0.8
374.18057	6.9
386.18054	3.7
404.19101	7.0
428.22809	9.1
446.23801	100.0
447.24030	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.2
56.50610	1.9
60.13558	2.4
67.05510	10.8
69.07061	15.9
69.39804	19.3
71.04996	2.7
79.05486	5.9
81.07054	28.6
83.08611	5.9
85.06541	2.6
91.05460	5.1
93.07046	19.4
95.04976	3.4
95.08602	68.5
97.06538	14.7
97.10173	5.9
99.08093	2.9
105.07029	21.6
107.08588	27.8
109.06525	3.2
109.10149	21.0
111.08068	5.0
111.11727	10.9
113.09686	2.6
117.06992	3.9
119.08580	31.6
121.10135	29.6
123.08063	8.5
123.11694	15.1
125.09658	2.5
131.08569	6.9
133.10138	17.8
135.08133	2.3
135.11682	24.5
137.09589	3.1
137.13234	2.3
145.10127	15.2
147.11676	10.9
149.09657	4.1
149.13283	4.3
151.07533	4.8
159.11690	31.1
161.13234	13.2
163.11201	3.6
163.14804	2.7
167.07010	5.8
167.36909	2.3
173.13197	9.9
175.14824	15.5
177.16348	3.9
179.14354	4.6
189.16354	14.7
191.17937	80.9
201.16389	24.5
207.17474	4.4
209.18996	100.0
219.17403	17.7
226.44876	2.5
237.18469	26.9
250.21777	3.2
257.81262	2.5
304.64597	2.3
310.82541	2.4
370.88535	2.1
425.95206	2.3
438.78992	2.4
445.37134	75.3
446.37143	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98409	8.0
55.05514	20.5
57.07072	22.8
67.05493	24.7
69.07072	51.8
69.31389	100.0
71.08644	9.5
71.84404	7.9
80.94771	9.4
81.07044	63.5
83.08605	24.4
83.31853	8.5
88.88188	7.6
93.07046	14.8
95.08610	50.0
97.10170	17.4
107.08642	10.8
109.10195	22.2
119.08593	12.1
123.11746	16.4
125.09675	9.3
135.08118	8.6
137.05940	14.8
139.07594	16.4
140.48093	8.4
149.09680	11.4
149.18053	10.6
151.07570	15.5
165.05362	17.9
165.09103	59.9
167.07062	83.5
169.05040	10.2
189.09128	17.4
207.10133	9.7
219.10133	12.9
231.13794	11.7
237.11197	16.9
275.84528	9.0
287.16324	17.2
294.21768	8.1
332.79926	8.1
338.16064	8.5
359.22058	15.6
424.03397	9.9
427.31332	10.6
442.13797	9.6
445.33130	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05508	8.8
56.60853	0.5
57.07082	4.5
67.05498	3.9
69.07064	16.1
71.08623	1.1
71.36081	0.6
71.36408	0.9
79.05503	1.5
81.07053	6.7
83.08613	9.3
84.10143	0.6
85.06549	0.7
85.10188	1.1
91.05457	1.0
93.07030	2.4
95.08611	6.7
97.10180	4.6
105.07050	1.4
107.08589	2.5
109.10153	6.2
111.11717	1.7
118.39299	0.6
119.08572	2.7
121.10143	2.8
122.07249	1.9
123.08030	0.7
123.11678	2.3
123.20872	0.6
129.06973	0.7
131.08621	1.0
133.10126	1.6
135.08026	2.0
135.11653	2.1
137.09607	7.9
137.13252	0.9
139.07504	1.4
149.09618	8.1
151.07529	1.8
159.11679	1.5
160.08885	0.7
161.06122	0.6
161.09619	1.0
163.07463	0.8
163.11192	10.7
165.09108	100.0
166.09421	2.0
167.07057	1.4
171.11647	0.6
173.09563	1.0
173.13263	0.8
175.11107	3.9
176.08434	0.9
177.09105	6.2
177.12723	1.3
179.10703	1.1
187.11186	1.7
189.09035	2.4
189.12778	1.3
190.09882	1.0
191.10635	5.3
198.69316	0.7
199.11177	3.8
203.10684	5.5
203.14183	1.1
205.12207	7.3
213.12650	0.8
214.05772	0.6
215.14374	0.9
217.12233	0.8
219.13760	2.2
231.13831	0.7
233.15399	0.9
284.10052	0.7
372.13635	0.7
373.14410	1.2
387.15796	1.9
399.32495	0.8
401.17532	1.3
402.18216	1.0
408.71494	0.7
409.34543	1.0
415.15472	2.2
416.15610	0.8
417.20953	1.2
417.32870	0.8
427.35861	5.1
429.16861	1.9
430.17581	3.1
431.18365	2.8
445.20044	31.2
445.36914	10.4
446.20700	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	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	33.1
55.54350	4.6
57.07080	26.5
65.03918	5.1
67.05497	34.3
69.07068	59.6
71.08625	25.5
71.63950	6.3
79.05483	26.8
81.06054	4.7
81.07057	85.7
83.08636	27.0
85.10201	8.4
91.05480	18.8
93.07037	52.5
95.08604	100.0
97.10168	18.3
97.63460	4.5
105.07039	45.5
105.93385	5.2
107.08604	67.4
107.35132	5.1
108.51442	4.7
109.06493	4.8
109.10154	61.4
111.11684	11.7
117.06999	8.4
119.08568	41.2
121.10136	43.3
123.08085	7.8
123.11708	19.9
131.08582	34.6
133.10132	39.2
135.08072	11.2
135.11679	23.9
137.06053	8.1
137.13258	12.8
143.08641	8.5
145.10156	28.5
147.11688	35.8
149.13293	16.9
151.07562	18.7
155.06970	9.5
157.02539	5.1
157.10094	12.0
159.11673	24.0
161.13277	22.0
163.07622	5.2
163.11165	5.4
163.14891	11.9
165.05612	7.3
165.09148	15.9
167.07056	30.8
171.11653	6.7
173.13245	13.8
175.14778	12.1
177.09099	6.0
179.10814	5.6
185.13303	10.5
187.14813	9.1
189.09102	6.5
189.16432	12.6
191.10695	16.6
201.16339	8.0
203.18092	8.3
205.12218	7.2
213.16220	7.3
227.17964	6.1
233.22644	5.2
245.15392	6.2
263.16443	6.2
273.18506	7.5
287.20090	10.6
300.84531	4.8
341.32056	6.7
343.33716	15.3
401.17773	5.6
409.34625	6.0
415.15414	11.0
427.35886	40.3
429.16714	7.3
431.18851	6.6
445.19928	64.5
445.37180	60.7
446.20770	27.1
459.60306	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	445.331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83672	0.2
53.03919	0.3
55.01862	0.4
55.05509	1.9
57.03403	0.2
57.07056	0.6
58.18485	0.2
64.70393	0.2
65.03932	0.3
67.01857	1.6
67.05502	2.8
69.03439	0.3
69.07063	2.4
69.49076	1.8
70.06568	0.2
71.08626	0.3
73.04768	0.2
74.25015	0.2
79.05479	1.6
81.03395	0.4
81.07050	8.6
83.01272	0.2
83.04962	0.6
83.08633	1.0
83.09042	0.2
85.02901	0.7
85.06538	1.5
87.02353	0.2
89.59193	0.2
91.05416	1.9
93.07036	8.8
93.07623	0.5
95.04975	1.1
95.08600	7.2
96.08951	0.2
97.02846	0.3
97.06509	0.7
97.10151	0.7
99.04465	0.3
99.08064	0.8
105.07021	1.2
107.04946	0.3
107.08581	2.6
109.06519	0.4
109.09446	0.4
109.10152	4.1
111.04431	0.4
111.08068	0.9
111.11707	0.4
113.09644	0.4
114.07369	0.2
117.07011	0.4
119.04923	0.2
119.08535	0.9
121.06492	2.5
121.10103	1.4
123.04369	0.3
123.08086	0.9
123.11703	2.9
125.05988	0.7
125.09622	0.2
127.11216	0.2
131.08569	0.6
133.10101	0.7
135.08040	0.5
135.11676	1.3
137.05981	0.5
137.09657	0.2
137.13231	1.0
139.07529	4.8
143.08516	0.4
145.06479	0.2
145.10120	0.6
147.04428	0.3
147.08005	0.4
147.11658	0.6
148.83125	0.2
149.05971	5.0
149.09605	0.4
149.13260	1.8
151.07533	6.3
151.14822	0.2
153.05460	0.6
157.10095	0.3
159.11682	0.4
161.09653	0.3
161.13348	0.2
163.07497	0.5
163.14835	0.8
163.84108	0.2
165.05476	0.7
165.09109	1.3
165.16380	0.2
167.07027	100.0
168.07404	1.9
171.11745	0.2
173.09584	0.3
173.13252	0.3
175.07524	0.4
175.11142	0.3
175.14795	0.2
177.05521	0.2
177.09140	0.6
177.16422	0.5
179.06969	0.3
181.08585	2.3
186.89671	0.2
189.09050	0.7
189.16396	0.2
191.07037	0.4
191.10666	1.5
191.17912	0.3
193.08565	0.6
195.17520	0.2
201.09035	0.3
203.10620	0.3
205.08572	0.4
205.12212	1.1
207.10124	2.0
215.10579	0.2
217.12218	0.5
217.19456	0.2
223.20621	0.4
235.13290	0.9
265.25290	0.2
277.25204	0.3
291.26797	0.5
303.19321	0.2
349.72302	0.2
359.02713	0.3
360.03098	0.3
409.31137	0.4
427.13663	0.3
427.27954	0.3
427.32748	0.3
445.16525	0.2
445.33939	1.6
472.09848	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	445.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
51.35573	0.2
53.03937	0.8
55.01861	0.3
55.05507	2.4
57.03418	0.3
57.07063	1.0
57.55964	0.2
59.05000	0.3
67.01848	1.2
67.05498	3.6
68.05828	0.2
69.03426	0.9
69.07059	3.2
69.55488	0.4
69.55901	1.6
71.04982	0.3
72.08138	0.7
74.09677	0.2
77.03904	0.2
79.05485	2.0
81.03414	0.8
81.07049	8.7
83.01344	0.3
83.04978	1.2
83.08631	1.2
84.08143	0.6
85.02895	1.8
85.03339	0.3
85.06521	1.7
91.05410	2.7
93.07037	10.2
95.04980	1.5
95.08603	8.5
97.02882	0.5
97.06509	1.2
97.10144	0.8
99.04398	0.3
99.08089	0.8
103.05459	0.5
105.07018	2.1
107.08578	3.2
109.02895	0.5
109.06503	1.0
109.10143	4.7
111.04424	0.6
111.08102	1.1
111.11706	0.4
116.59893	0.2
117.06953	0.5
119.04957	0.3
119.08553	2.2
121.02889	0.3
121.06498	3.2
121.10136	2.9
123.04444	0.4
123.08059	2.2
123.11687	2.6
124.05230	0.3
125.05986	0.7
125.09589	0.4
127.03895	1.0
127.11185	0.4
128.74219	0.2
131.08557	1.2
133.06448	0.5
133.10124	1.3
135.04424	0.3
135.08060	1.1
135.11655	1.3
137.05977	0.9
137.09587	0.7
137.13240	1.2
139.07545	5.1
141.05460	0.3
143.08560	0.5
145.10109	1.2
147.04407	0.4
147.08063	0.3
147.11707	1.3
149.05977	5.3
149.09636	0.7
149.13240	1.9
151.07530	16.7
153.05434	0.6
155.08527	0.3
157.10098	0.6
159.08025	0.6
159.11693	1.0
161.06038	0.3
161.09648	0.6
161.13245	0.6
163.03900	0.3
163.07500	0.6
163.11166	0.5
163.14828	0.7
165.05457	0.8
165.09106	3.5
167.07025	100.0
168.07394	2.0
169.07581	0.3
170.07988	0.3
171.04094	0.3
171.11656	0.4
173.09598	0.6
173.13251	0.6
175.07486	0.5
175.11234	0.3
175.14847	0.4
176.06931	0.3
177.09122	2.0
177.16333	0.7
179.10629	0.5
179.17957	0.3
181.08615	1.8
181.10063	0.4
189.09097	0.6
189.12732	0.4
189.16325	0.3
191.07083	0.3
191.10649	4.6
193.08636	0.5
196.06018	0.3
197.11629	0.6
198.07549	0.3
199.11102	0.4
199.14839	0.5
201.09064	0.3
203.10655	0.5
203.18034	0.3
205.12221	2.6
205.19388	0.3
207.10115	2.0
209.11580	0.3
213.06938	0.3
213.12531	0.3
217.12228	0.5
217.19563	0.2
219.13841	0.2
222.07491	0.3
225.04420	0.3
225.06590	0.6
226.06891	0.6
231.13728	0.4
233.11725	0.3
235.13251	0.7
240.08456	0.6
247.09750	0.5
267.07382	0.2
268.07846	0.3
271.07184	0.4
272.07370	0.5
273.18411	0.3
281.24750	0.2
283.05948	0.6
283.17249	0.2
286.08984	0.3
289.25168	0.2
291.26831	0.3
295.06192	0.5
296.07346	0.5
303.19531	0.2
314.08487	0.7
323.05585	0.3
325.06866	0.4
334.40659	0.2
359.02679	0.7
385.15863	1.0
399.17322	0.5
409.30984	0.4
427.16898	0.9
427.32458	1.2
428.10468	0.3
434.45511	0.2
445.12396	0.4
445.17957	3.4
445.25894	0.5
445.33536	2.4
446.17969	0.3
446.23621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3308
Annotation	Gibberoketosterol B
Peak:m/z	Relative Intensity
55.05510	10.2
57.07072	7.7
67.05506	18.1
69.07065	14.8
69.59577	2.0
69.59982	10.6
71.08601	1.9
71.55947	1.4
75.32166	1.5
79.05496	5.2
81.07053	54.6
83.04971	2.0
83.08620	7.6
85.06549	1.6
85.36784	1.6
91.05508	3.4
93.07033	11.1
95.04963	2.3
95.08604	34.4
97.10179	4.3
105.07029	2.7
107.08601	4.0
109.06499	3.3
109.10158	24.6
111.11749	4.4
119.08582	3.0
121.06514	2.3
121.10142	3.0
123.04383	1.6
123.08029	3.3
123.11689	15.2
125.13236	1.4
131.08609	1.8
133.06435	1.7
133.10109	1.6
135.08028	3.6
135.11697	2.6
137.05969	17.7
137.09659	1.7
137.13226	5.7
139.03940	2.1
139.07523	3.9
147.08049	3.1
147.11618	1.3
149.06004	3.0
149.09535	2.5
151.07538	43.0
151.14796	1.9
157.10121	2.7
159.08064	1.8
161.06020	4.4
161.09601	3.7
163.07568	1.9
165.05457	7.4
165.09084	13.7
167.07037	100.0
168.07445	1.9
174.06699	1.6
175.07545	6.6
177.09085	3.8
179.07071	3.9
179.10651	5.0
181.08675	3.5
183.18137	1.8
185.09613	2.1
189.09113	10.6
189.12714	1.8
193.08644	7.5
203.10716	5.8
205.08669	4.2
205.12283	3.7
207.10168	11.4
217.12228	5.0
219.10110	1.5
221.11697	3.2
235.13176	2.1
249.14931	1.5
311.44534	1.6
378.83487	1.6
399.32578	3.2
409.31464	2.5
427.32077	14.1
445.33093	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	445.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
53.60323	0.3
55.01858	0.7
55.05505	11.2
57.03418	0.3
57.07072	4.9
65.03920	0.6
67.01836	1.3
67.05499	12.1
67.74874	0.2
69.03414	0.5
69.07062	20.7
69.49795	0.7
69.50199	1.7
71.04970	0.3
71.08631	2.1
75.68532	0.2
77.03901	0.3
79.05486	4.1
81.07049	26.0
82.07365	0.3
82.23336	0.3
83.01328	0.3
83.04960	1.4
83.08612	9.9
85.02884	0.5
85.06119	0.3
85.06534	2.6
85.10157	0.9
91.05457	3.3
93.07035	10.3
93.88035	0.3
95.04944	1.8
95.08597	26.4
97.10160	6.9
98.20690	0.3
99.08082	0.9
105.07017	2.8
107.04942	0.3
107.08588	4.3
109.06504	1.7
109.10144	15.2
111.04420	0.8
111.08088	0.6
111.11713	4.7
113.05956	0.4
113.09618	0.4
117.06996	0.7
119.04934	0.8
119.08562	2.4
121.06477	2.4
121.10132	2.4
123.04420	0.7
123.08067	1.4
123.11693	9.1
125.13253	1.2
128.06207	0.3
129.07001	0.5
129.12723	0.4
131.08592	1.2
133.06480	0.7
133.10126	1.5
135.08040	2.2
135.11693	3.2
137.05969	6.9
137.09564	0.3
137.13235	4.4
138.06744	0.7
138.77914	0.2
139.03871	0.8
139.07533	4.3
139.14809	0.5
141.05457	5.3
141.06590	0.4
143.08536	0.9
143.14291	0.3
144.09280	0.3
145.06444	0.6
145.10066	1.3
147.08035	1.8
147.11671	1.0
149.05966	4.3
149.09598	1.0
149.13237	3.2
151.07529	12.4
151.14810	2.0
153.05446	0.4
155.08528	0.4
157.10130	0.8
158.07239	0.4
159.08022	1.6
159.11693	2.2
160.08823	0.3
161.05988	1.8
161.09595	1.5
161.13263	0.4
163.07521	1.0
163.11165	0.6
163.14790	1.3
165.05479	5.7
165.09105	3.4
165.16422	1.0
167.07024	100.0
168.07353	1.3
169.10123	0.4
171.08061	0.3
171.11746	0.4
172.08792	0.8
173.09570	1.2
173.13216	0.3
173.66702	0.3
174.06763	0.4
175.07533	3.0
175.11194	0.8
175.14911	0.3
177.05492	0.8
177.09068	3.8
177.16353	0.7
178.06224	1.1
179.07018	3.0
179.10594	1.6
179.17924	0.7
181.08578	4.3
183.11696	0.3
185.09648	0.8
187.07550	0.7
187.11115	1.4
188.08423	0.5
189.09070	3.8
191.07022	5.2
191.10666	2.2
191.17926	0.6
192.07706	1.0
193.08585	6.8
193.12280	0.5
193.19502	0.3
195.10139	0.7
197.13174	0.4
201.09067	2.1
201.12743	0.3
203.10649	3.1
203.17805	0.3
204.10992	0.3
205.08578	9.1
205.12183	1.9
205.19487	0.4
206.09258	0.4
207.10146	10.0
207.12029	0.6
207.21080	0.5
209.18932	0.3
213.09167	0.3
215.10634	3.7
215.13997	0.3
217.12253	1.1
219.10153	5.5
219.13666	0.5
221.11687	7.1
229.12218	1.9
231.10202	0.5
231.13835	0.6
233.11694	6.0
235.13275	0.9
239.14206	0.3
241.12199	0.4
243.13763	0.8
245.11684	1.2
245.15494	0.3
247.13277	5.4
247.24210	0.5
255.13791	0.4
255.20998	0.3
257.15314	0.8
259.13354	0.6
261.14899	1.4
261.25677	0.7
263.16385	0.4
265.25287	1.1
271.17056	0.6
273.25888	0.3
275.16507	0.8
277.18042	0.4
279.26791	2.9
285.18439	0.8
289.17975	0.4
291.26794	1.1
297.18787	0.3
301.18066	0.4
303.19577	1.3
317.21198	0.8
320.61575	0.3
327.23291	0.3
331.22772	0.5
339.34659	0.3
345.24197	1.2
349.23813	1.1
359.02289	0.3
359.92667	0.3
363.25195	2.8
391.30289	0.3
399.32922	0.5
409.30902	1.7
427.32028	6.6
427.37143	0.4
428.74112	0.3
445.33121	12.8
445.40268	0.5
446.33597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.0
57.02581	1.0
57.07064	4.0
62.34520	0.9
63.79649	1.0
67.05500	13.8
69.07063	15.2
69.61225	4.2
69.61655	4.0
71.08609	2.4
79.05483	5.1
81.07057	50.0
83.04983	2.8
83.08624	7.0
85.02953	1.1
85.06570	1.2
91.05485	3.6
92.25609	1.0
93.07043	10.1
95.04967	1.1
95.08604	31.5
97.06455	1.0
97.10186	5.2
98.20766	1.8
105.07018	2.5
107.08581	3.9
107.77837	0.9
109.06532	4.6
109.10152	18.6
111.11708	2.9
117.94357	0.9
119.08569	2.7
121.06499	2.0
121.10106	2.8
123.08072	3.8
123.10825	1.2
123.11707	13.3
123.13132	1.0
124.05221	0.9
129.62325	0.9
133.10059	1.5
135.08029	3.0
135.11697	3.1
137.05959	14.4
137.13235	4.5
138.06744	1.4
139.04005	1.0
139.07506	4.3
143.08578	1.8
145.10126	1.0
147.08002	2.2
149.05974	4.2
149.09557	1.1
149.13248	2.3
151.07545	39.1
151.14815	2.1
159.08034	1.6
161.05930	4.5
161.09575	2.1
163.07515	2.1
163.14825	1.5
165.05519	8.7
165.09126	11.0
167.07042	100.0
168.07336	1.9
174.06830	1.0
175.07573	3.8
175.11174	2.1
177.09076	3.4
177.16397	1.8
179.05695	1.0
179.06953	4.6
179.10660	3.0
181.08589	3.4
185.09607	1.6
188.08270	2.0
189.09113	10.8
189.12738	1.2
191.07080	2.5
191.10675	3.3
192.07780	1.2
193.08592	5.3
199.11229	1.8
203.10628	8.5
205.08597	3.8
205.12289	1.2
207.10194	8.7
217.12318	2.2
219.10205	2.1
219.13803	1.1
221.11736	3.3
231.13850	1.9
233.11638	1.3
235.13336	2.1
257.66995	0.9
277.17950	1.2
320.74133	1.1
331.22751	1.7
373.46628	0.8
399.32474	2.9
409.30807	1.8
417.33389	1.2
427.32040	12.6
445.33112	37.6
446.33563	2.0
462.53860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
53.95063	0.5
54.20320	0.6
55.01857	1.9
55.05266	0.9
55.05510	12.5
57.03429	1.3
57.07049	1.3
59.04996	0.8
60.22272	0.6
61.12092	0.6
62.20336	0.7
63.80689	0.7
65.03918	2.2
67.05499	32.0
68.76127	0.6
69.03404	1.2
69.07066	11.6
71.04985	2.7
79.05487	25.4
81.03403	1.1
81.07050	31.8
83.04961	3.4
83.08617	5.8
85.02903	0.8
85.06540	1.3
88.91425	0.7
91.05463	31.6
91.22113	0.6
93.07037	27.4
95.04971	5.6
95.08602	19.5
97.02891	0.9
97.06479	3.1
97.10145	3.0
101.05944	0.8
103.05466	2.1
105.04513	0.8
105.07024	36.0
107.04944	2.6
107.08588	10.5
109.06493	3.0
109.10147	8.1
111.04435	0.7
111.08054	1.9
113.05955	0.8
115.05424	2.6
117.07009	17.6
119.04969	1.1
119.08569	22.2
121.06493	3.5
121.10142	10.4
123.08064	3.6
123.11695	2.5
125.05951	1.1
125.09655	1.6
128.06215	3.0
129.06998	12.8
130.07755	1.0
131.08566	27.0
133.06464	2.0
133.10130	12.7
135.04356	0.9
135.08029	2.0
135.11656	5.1
137.02370	1.5
137.05957	0.9
137.09572	1.7
141.06964	5.0
142.07765	2.2
143.08551	13.0
144.09183	0.9
145.06468	2.2
145.10110	14.9
147.08055	2.9
147.11696	5.7
149.09613	2.4
149.13214	2.1
151.07552	7.0
151.11105	1.4
155.08539	5.0
157.10106	8.0
159.08049	2.0
159.11681	6.3
161.09601	2.4
161.13254	2.7
163.11188	1.1
165.09145	1.2
167.05731	0.7
167.07027	3.4
167.08577	2.2
169.10123	5.0
171.08119	0.8
171.11678	4.9
173.09633	1.7
173.13252	2.9
175.11148	1.8
175.14766	1.7
177.12712	1.3
181.10092	2.6
183.11711	3.5
185.09540	1.0
185.13237	3.6
187.11133	1.2
187.14787	2.5
188.08316	1.1
191.10597	0.9
195.11781	2.5
197.13295	4.1
199.11234	1.0
199.14825	1.9
201.12691	1.2
201.16360	1.0
203.10635	3.9
205.12198	1.4
209.13277	2.7
211.14801	2.6
213.12689	1.4
213.16373	1.3
215.10687	0.9
215.14301	1.1
215.17862	0.7
217.15912	1.1
219.13805	1.1
221.13316	0.9
223.14803	1.8
225.16330	1.4
227.14409	1.0
227.17995	1.0
229.15944	1.1
233.15349	1.1
237.16420	1.0
239.17879	0.8
241.15855	1.5
243.17436	1.2
245.15421	1.1
247.16887	1.7
255.17526	1.5
257.15256	0.8
259.16983	1.7
261.18478	1.4
271.16833	0.7
273.18506	1.8
285.18329	0.8
311.20255	0.9
325.25140	1.1
335.23636	3.8
343.26224	3.9
353.24689	11.9
359.02869	1.1
371.25751	13.2
389.26843	12.6
427.27689	3.4
445.29416	100.0
446.29709	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	445.2945
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
53.03928	1.6
55.01866	2.2
55.05254	0.8
55.05510	10.7
57.03426	1.2
57.07071	1.1
65.03930	1.9
67.05501	27.0
69.03430	1.2
69.06716	0.7
69.07063	9.2
69.54272	4.0
71.04962	2.4
73.40707	0.6
77.03925	0.9
77.61481	0.5
79.05486	22.6
81.03398	0.8
81.07050	27.0
82.07375	0.7
83.04959	1.8
83.08611	4.3
85.06542	1.4
91.05469	33.1
93.07033	21.8
94.07371	0.4
95.04960	5.5
95.08600	16.1
97.06535	3.8
97.10150	1.9
99.08041	0.6
103.05460	1.1
105.07025	30.8
107.04958	3.2
107.07874	0.6
107.08588	11.3
109.06537	3.6
109.10146	6.3
111.08055	1.1
112.19664	0.5
115.05439	1.6
116.06246	1.1
117.06204	1.0
117.07009	15.2
117.07841	0.9
119.08569	19.5
121.06509	3.2
121.10130	7.4
123.08075	1.9
123.11674	1.0
125.06026	0.7
125.09641	0.9
128.06259	2.9
129.06990	11.4
129.07895	0.9
130.07819	0.5
131.07562	1.1
131.08557	23.9
133.06464	1.9
133.10117	10.2
135.08031	2.1
135.11671	3.4
137.09602	1.2
137.13249	0.7
141.06985	3.2
142.07756	0.8
143.08549	10.6
145.06451	1.4
145.10110	14.8
147.08011	3.0
147.11700	4.0
149.09610	2.2
149.13231	1.5
151.07565	1.4
151.11156	1.3
154.07721	0.7
155.08553	5.6
156.09306	0.9
157.10123	6.9
159.08055	1.4
159.11661	5.4
161.09651	1.1
161.13272	1.7
163.11131	0.9
165.06805	0.6
165.09053	0.7
167.05539	0.5
167.07100	0.8
167.08565	2.0
169.10101	4.7
171.08092	0.5
171.11662	3.6
173.09619	0.9
173.11870	0.7
173.13280	3.1
175.11127	1.1
175.14771	1.0
177.12733	0.8
177.16408	0.6
181.10051	2.4
182.10857	0.6
183.11673	3.2
185.09610	0.6
185.13269	3.0
187.11307	0.7
187.14812	1.9
189.12772	0.7
191.10757	0.6
195.11743	2.6
197.13271	3.6
199.11140	0.9
199.14801	2.1
201.12761	1.0
209.13255	1.8
211.14835	1.6
213.12721	0.8
213.16296	1.2
215.14308	1.3
217.15935	0.6
223.14822	2.4
224.15590	0.6
225.16388	1.1
227.14377	1.2
229.15909	0.8
233.15343	1.3
241.15860	1.5
247.16960	2.4
255.17380	1.4
257.18909	0.6
257.70129	0.5
259.16876	1.1
261.18469	1.4
269.18887	0.9
273.18649	1.1
285.18625	0.7
307.24100	0.6
317.22595	0.7
325.25272	1.7
335.23679	3.9
343.26291	3.2
353.24716	11.3
359.02878	0.8
371.25763	11.6
389.26807	13.1
409.27039	0.6
427.28070	2.5
445.29440	100.0
446.29837	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	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
53.03939	2.1
55.01868	3.2
55.05257	0.9
55.05503	11.9
57.03424	2.2
57.07062	1.8
60.26796	0.6
65.03933	1.8
67.05499	31.9
69.03422	1.5
69.07063	12.5
71.04987	2.3
71.63169	0.8
72.08173	0.8
79.05486	26.2
81.03400	1.1
81.07050	29.6
83.04969	2.7
83.08599	6.4
85.06544	2.3
86.09720	0.5
88.18282	0.6
91.05460	35.0
93.07037	26.5
93.07526	0.4
95.04960	6.1
95.08597	19.6
97.06516	2.9
97.10149	2.2
99.08117	1.1
101.06030	0.7
103.05447	2.0
105.04527	1.1
105.07021	34.4
107.04933	3.1
107.08578	12.1
109.06502	4.2
109.10142	7.3
111.04425	0.8
111.08068	1.8
111.11730	1.0
113.09641	0.9
115.05450	2.6
116.06212	1.3
117.07013	16.1
119.04984	1.2
119.08572	22.9
120.08924	0.7
121.06519	3.6
121.10140	9.6
123.04420	0.8
123.08062	3.2
123.11702	2.5
125.09608	1.4
128.06198	2.4
129.07002	13.0
130.07748	1.4
131.08557	26.8
133.06485	2.5
133.10135	10.3
135.08037	2.7
135.11691	4.6
137.02341	2.1
137.05959	1.0
137.09599	1.9
137.13335	0.8
139.07487	0.7
139.11153	0.7
141.06952	4.7
142.07733	1.7
143.08562	11.6
144.09259	0.8
145.06467	2.0
145.10112	16.4
147.08006	3.2
147.11681	4.8
149.09602	2.8
149.13242	1.9
151.07533	6.7
151.11162	0.7
154.07774	0.9
155.08539	5.3
157.10106	8.5
159.08047	1.5
159.11668	6.7
161.09592	1.9
161.13298	2.3
163.11182	1.0
163.14915	0.6
165.09026	0.7
167.05704	1.3
167.07053	3.5
167.08548	2.4
168.09332	0.8
169.10133	4.8
171.08044	1.2
171.11664	4.8
173.09570	2.2
173.13252	3.0
175.11205	1.8
175.14801	0.9
177.09108	0.7
177.12733	0.9
181.10052	3.1
182.10806	1.0
183.11726	3.2
185.09659	1.9
185.13234	3.2
187.11198	1.1
187.14790	1.6
189.12686	1.0
189.16429	0.7
191.10655	1.6
191.17831	0.6
195.11664	1.9
197.13245	2.9
199.11058	1.4
199.14850	2.5
201.12727	0.9
201.16364	1.2
203.10701	3.3
203.14375	0.9
205.12207	0.8
209.13222	3.0
211.14810	2.6
213.12749	1.3
213.16383	1.4
215.14268	1.3
217.12245	0.7
217.15805	0.8
218.00981	0.7
219.13539	0.7
223.14857	1.6
225.16402	2.2
229.15862	1.4
235.14722	0.8
237.16415	1.7
241.15923	1.5
241.19745	0.8
245.15361	1.0
247.16925	2.1
251.18205	0.7
255.17543	1.1
259.16913	1.8
261.18433	0.9
273.18451	1.5
285.18561	0.8
287.20010	1.1
325.25250	2.1
335.23788	4.0
343.26221	3.7
353.24707	11.3
359.02908	1.1
371.25784	11.5
372.26370	0.7
389.26785	12.5
427.28333	2.6
427.32837	1.2
445.29425	100.0
446.29730	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	445.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01865	1.7
55.45359	0.4
57.03424	0.8
58.06594	5.6
61.02908	1.5
63.09146	0.5
63.27653	0.5
68.05015	0.6
69.03419	4.0
70.06577	2.1
71.04962	1.1
73.02896	0.6
79.05492	1.4
81.03411	1.8
81.07040	2.0
82.06577	0.5
84.08135	1.2
85.02901	5.3
86.06059	2.8
87.04471	1.0
91.05446	0.7
93.07050	1.7
93.33813	0.5
96.08128	3.8
97.02870	2.5
97.06525	11.5
98.06052	0.6
98.09679	9.1
99.04430	0.8
108.08098	1.2
109.02863	1.2
110.09666	1.5
114.05519	0.9
120.08111	0.6
121.06493	0.7
124.07564	1.6
124.11217	14.9
125.05981	9.4
127.03911	1.0
134.09634	1.9
135.08025	1.4
136.11201	1.1
138.05472	0.9
142.08652	1.8
147.08044	0.7
150.09099	2.5
150.12756	0.6
152.05647	1.6
162.09123	13.3
163.07550	1.7
164.10703	13.2
174.09134	0.6
175.07599	0.8
178.12329	0.5
180.10162	3.6
182.11813	1.2
206.11717	2.5
211.14435	0.8
223.14391	37.5
224.14769	1.2
225.15907	1.6
236.20546	0.6
241.15633	0.7
247.17854	0.6
265.19101	10.1
266.19534	0.6
283.20142	6.1
314.42966	0.5
403.20850	1.7
413.02496	0.5
427.24390	2.2
428.61258	0.7
445.25427	100.0
446.25787	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	445.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01852	3.2
55.05511	12.1
57.03428	2.3
57.07047	1.7
65.03917	2.4
67.05503	34.0
69.06725	1.1
69.07065	13.8
70.75168	2.1
70.75532	2.4
71.04982	1.6
79.05064	1.2
79.05490	22.7
81.03384	2.1
81.06578	1.6
81.07054	27.9
83.04958	3.5
83.08614	7.2
85.06551	2.1
91.05468	30.5
93.06468	1.5
93.07040	24.2
95.04964	6.6
95.08601	24.2
97.06503	4.2
97.10157	3.9
103.05460	1.3
105.07023	34.1
106.07373	1.1
107.04936	4.5
107.08588	14.3
109.06494	4.9
109.10155	9.4
111.08063	2.2
113.05977	0.9
117.06219	1.1
117.07011	17.0
119.07796	1.6
119.08579	24.6
121.06478	3.1
121.10150	10.0
123.08029	2.6
123.11665	4.0
125.09595	1.3
128.06213	2.8
129.06995	10.3
131.08562	26.4
133.06482	2.2
133.10127	10.7
134.98195	1.6
135.08041	2.8
135.11684	6.3
137.09584	2.0
141.06958	4.4
142.07777	1.6
143.08534	9.8
145.06564	1.5
145.10124	16.9
147.08000	3.0
147.11670	5.6
149.09557	3.2
149.13228	2.4
151.07455	3.0
151.11200	1.6
155.08542	4.5
156.09334	1.4
157.10080	7.5
159.08070	2.9
159.11682	8.5
161.09570	1.8
161.13226	3.3
163.14839	1.2
165.09178	1.4
167.07005	4.3
167.08467	2.0
169.10100	3.6
171.11681	5.2
173.13240	4.7
175.11093	1.8
175.14726	1.4
181.10059	2.4
183.11658	3.8
185.13248	3.8
187.11162	1.5
187.14795	1.9
189.12761	1.5
189.16333	2.2
195.11676	2.1
197.13203	2.1
199.14830	2.1
201.16452	1.3
203.14250	1.6
203.17972	1.4
205.12341	1.3
207.11769	1.1
207.13774	0.9
207.17319	2.2
209.13223	2.1
211.14815	2.4
213.16461	1.6
215.17868	1.0
223.14806	2.0
225.16345	1.8
229.15868	1.5
237.16365	1.4
241.15939	1.7
247.16885	2.0
255.17400	1.0
261.18405	1.6
271.17233	1.0
273.18542	1.4
325.25214	2.8
335.23621	4.2
343.26459	4.9
353.24646	10.6
371.25781	14.6
387.74188	1.2
389.26788	12.7
424.61139	1.2
427.27991	2.8
445.29367	100.0
446.29477	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30797	0.4
53.03936	0.7
54.45093	0.3
55.01872	3.3
55.05499	2.3
56.05040	0.4
57.03425	1.5
58.06590	1.6
61.02935	2.4
68.05039	0.7
69.03425	6.7
69.07052	0.5
70.06585	3.2
71.04980	1.4
71.61904	0.5
72.08150	9.1
73.02909	1.2
73.04748	1.2
79.05481	3.0
81.03405	2.0
81.07050	4.6
82.06570	0.9
83.04985	0.4
83.07360	0.4
84.04509	0.9
84.08138	1.2
85.02898	8.1
86.06078	2.0
86.09711	1.8
87.04467	2.0
87.39896	0.4
89.10791	1.3
89.43757	0.4
91.05833	6.9
93.07024	1.2
95.04948	0.8
95.08579	0.7
96.08125	4.2
97.02879	3.7
97.06525	20.5
98.06042	1.4
98.09685	19.3
98.10336	0.7
99.04449	1.4
100.07598	1.1
101.02386	0.5
105.07027	0.8
107.04964	0.6
107.08655	0.4
108.08135	0.5
109.02862	1.6
109.08917	0.4
110.02432	0.6
110.09681	1.3
114.05523	0.7
114.09186	0.5
114.10288	0.5
115.08659	0.5
119.04931	3.7
119.08588	0.6
120.08047	0.5
121.02878	1.1
121.06493	0.6
122.09650	0.8
124.07605	0.9
124.11218	37.9
125.05982	19.6
125.11572	0.8
127.03913	1.8
134.08185	0.4
135.04398	0.4
135.08069	1.3
136.11238	1.2
137.05980	1.2
142.08624	3.3
142.12285	1.9
145.05032	0.5
147.04393	22.7
148.04747	1.6
149.05960	0.4
150.12796	1.6
152.10732	0.5
154.08620	0.5
162.09177	1.5
163.03920	0.6
163.07538	1.1
164.10736	3.3
167.05554	2.6
167.06978	1.0
177.05516	0.9
178.12308	0.6
180.10156	3.4
206.11844	1.7
211.14404	0.7
218.11742	5.0
219.12100	0.9
223.14400	18.8
224.14931	0.8
225.04378	1.4
226.63037	0.9
233.63817	0.9
235.14371	5.2
235.18042	0.4
235.64589	0.9
236.16599	0.5
241.15486	0.5
242.15198	5.9
242.65399	1.9
247.18094	0.9
248.16516	0.6
249.15892	0.7
250.15024	0.6
256.15576	1.5
256.65540	0.9
263.17557	0.6
265.19092	25.7
266.17325	0.6
277.16772	0.5
283.13223	0.9
283.20148	18.5
284.20569	0.6
342.99649	0.9
359.02832	4.4
429.09052	0.6
445.25458	100.0
446.25687	5.3
469.28012	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2041
Annotation	3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
Peak:m/z	Relative Intensity
50.39905	0.3
55.01369	0.3
55.01836	0.5
55.05489	1.2
57.03415	0.5
59.04973	1.4
62.00306	0.4
67.05495	2.0
69.03407	1.3
69.07046	1.3
71.05007	1.7
71.06661	0.3
72.08125	0.6
72.39342	0.3
73.04710	0.4
78.80632	0.3
79.05470	1.2
81.03398	0.9
81.07052	2.8
83.04971	0.6
83.08608	0.5
84.08118	0.3
85.02885	1.0
85.06541	0.7
90.66428	0.3
91.05454	1.4
93.07015	1.7
95.04938	0.7
95.08596	1.7
97.02872	1.5
97.06496	0.7
99.04426	0.5
105.07014	1.0
107.08583	1.0
109.02895	0.4
109.06481	0.7
109.10145	1.2
111.04427	0.4
115.05433	0.4
118.75959	0.4
119.04891	0.4
119.08553	0.9
121.02800	0.4
121.06518	0.5
121.10126	0.8
123.04382	0.6
123.08061	1.0
123.11657	0.9
127.03887	1.2
131.08546	0.4
133.10107	1.0
134.03621	0.7
135.08023	0.4
135.11624	0.7
137.05946	0.7
137.09557	0.6
145.10115	0.6
147.04362	1.1
147.11644	0.4
149.09557	0.6
149.13219	0.4
151.03831	0.7
151.07518	5.9
155.73895	0.4
157.10129	0.4
159.11653	0.6
161.05896	0.4
165.05455	0.4
165.09099	2.2
167.05611	0.6
167.07025	0.9
177.09058	0.5
179.03336	0.5
187.13184	0.5
189.01782	0.6
191.03262	0.4
191.10617	1.4
201.03677	0.6
201.14838	0.4
202.02556	0.7
205.04984	0.4
205.12207	1.0
220.03531	0.7
229.19487	0.5
250.99776	0.3
257.17502	0.8
275.07294	0.6
279.06400	0.5
280.07288	0.5
283.05969	1.1
283.09171	0.5
295.05838	0.6
307.05890	0.4
308.06696	0.4
310.04550	0.5
311.05615	0.5
312.06146	0.7
313.16208	0.8
319.05872	0.6
323.09000	0.6
324.06253	2.2
325.06891	1.4
326.07599	0.6
327.08411	1.0
333.07864	15.3
334.08231	0.6
335.05536	0.8
335.09360	1.0
336.06207	2.8
337.06900	0.8
338.04153	1.4
339.08508	2.9
340.05652	1.5
351.08618	11.9
352.09305	1.7
353.06500	4.7
355.08066	5.4
359.02826	0.9
366.11096	2.2
367.07629	0.8
367.11670	1.9
369.09628	6.5
370.10074	0.5
371.07425	0.7
376.09488	0.4
381.13300	8.1
382.13458	0.9
391.11688	0.8
399.14426	1.7
409.12793	2.5
427.13901	11.3
428.14026	0.8
445.14786	17.9
445.20319	100.0
446.15033	1.6
446.20679	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	445.149
Annotation	5-Methoxypodophyllotoxin
Peak:m/z	Relative Intensity
51.12201	0.5
53.03944	0.5
55.05505	2.9
57.03420	0.5
57.07063	0.9
59.04989	1.9
62.80313	0.6
67.05499	4.4
69.03412	2.3
69.07072	2.5
69.07362	0.4
69.81306	3.2
70.06570	1.0
71.04974	1.0
72.08133	2.8
73.02934	0.6
79.05474	2.9
81.03409	1.2
81.07048	7.8
83.04981	1.6
83.08608	1.2
85.02901	1.3
85.06521	1.7
91.05452	2.6
91.05858	1.4
93.07029	6.6
95.04953	2.4
95.08600	7.6
97.02885	1.1
97.06535	3.1
97.10152	0.9
99.04426	0.8
99.08070	1.2
103.05396	0.6
105.07007	3.7
107.08587	5.1
109.02867	1.2
109.06499	1.8
109.10130	3.9
111.04408	0.7
111.08047	1.0
115.05449	0.8
117.07008	0.8
119.04921	0.8
119.08562	2.8
121.02890	0.7
121.06490	1.5
121.10154	3.3
122.07259	0.5
123.04395	1.3
123.08076	2.5
123.11703	2.2
125.05999	1.0
125.09611	0.9
127.03883	1.6
129.06923	0.7
131.08521	1.7
133.06433	0.5
133.10121	3.2
135.08023	1.5
135.11693	2.3
137.02390	0.7
137.05965	2.3
137.09592	1.7
139.07507	0.8
143.08484	0.9
144.00473	0.5
145.10120	1.5
147.04385	1.7
147.11694	1.7
149.05911	1.2
149.09604	1.4
149.13226	1.5
151.03937	0.9
151.07526	17.2
151.11153	0.7
153.01773	0.5
153.05479	1.9
157.10088	1.1
159.11647	1.7
161.06015	0.7
161.09592	1.0
161.13277	0.7
162.82620	0.5
163.07570	0.5
163.11177	0.8
163.14803	0.6
165.05513	0.6
165.09087	7.8
166.09489	0.8
167.05612	1.2
167.07013	8.5
171.11674	0.9
173.09630	0.7
173.13300	0.9
175.03966	0.5
175.11182	1.1
175.14786	0.5
177.05409	1.1
177.09068	1.8
177.12941	0.6
179.10582	0.7
181.12262	0.6
185.09680	0.5
187.11235	0.7
189.05528	0.6
189.09117	0.8
189.16368	0.9
191.07108	0.5
191.10680	3.2
191.14342	0.5
193.08611	1.2
196.95093	0.5
197.06068	0.5
197.09770	0.5
197.11647	1.2
201.09161	0.5
203.10654	1.4
203.17989	0.8
205.04944	0.8
205.12238	2.7
207.10159	1.0
210.17535	0.5
217.08585	0.5
217.12251	0.8
227.14397	0.6
277.44421	0.5
279.10391	0.7
283.05975	0.7
291.10229	0.7
295.05923	1.1
295.09558	0.6
295.26419	0.6
296.06821	1.4
307.06146	0.7
307.09576	0.5
309.07462	1.5
319.09692	0.8
319.93423	0.6
320.10431	0.5
323.05420	1.2
324.06241	16.6
324.10025	1.0
325.07031	1.2
326.07809	0.9
327.08673	0.8
333.07816	0.6
335.09131	0.6
336.06241	1.4
337.07050	3.2
338.07874	0.9
339.08621	25.8
340.09094	0.9
347.09167	0.8
351.08551	4.3
352.09387	5.9
353.10129	1.3
355.07956	1.0
357.09720	1.1
359.02902	1.7
363.12274	0.8
364.09570	2.9
366.10791	1.7
367.11716	26.9
368.12082	0.9
369.09891	2.8
376.09396	6.4
379.11880	3.5
381.09042	0.7
381.13339	9.7
382.13702	0.6
385.12735	11.9
391.11761	9.8
394.10297	0.6
397.12860	0.7
399.14383	2.8
409.12839	11.4
409.18182	0.7
409.26962	1.1
427.13852	100.0
428.14203	2.9
445.14584	2.0
445.29651	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01864	0.6
55.05500	2.6
57.03428	0.9
57.07040	1.1
58.11208	0.5
59.04985	1.7
67.05499	5.3
69.03417	2.3
69.07062	3.5
69.24953	0.5
70.06577	0.7
71.04986	1.4
71.61886	0.7
72.08131	1.7
79.05486	3.0
81.03394	1.8
81.07046	7.7
83.04975	2.3
83.08610	1.8
84.08096	0.7
85.02885	2.1
85.06551	3.2
91.05379	3.2
91.05931	0.7
93.07037	5.6
95.04955	2.2
95.08598	7.7
97.02885	1.3
97.06525	1.9
97.10152	0.9
99.04436	0.9
99.08088	0.7
105.03371	0.5
105.07014	3.9
107.04928	1.0
107.08578	5.6
109.02877	1.4
109.06519	1.6
109.10158	5.3
111.04424	1.2
111.08051	1.0
113.09608	0.7
117.03437	0.6
117.07003	0.9
119.04936	1.0
119.08582	3.3
121.02886	1.1
121.06515	1.5
121.10124	2.6
123.04440	1.9
123.08065	4.0
123.11700	1.9
125.05978	1.5
125.09619	1.4
127.03934	1.9
129.06996	1.0
131.04959	0.5
131.08569	2.4
133.06496	0.7
133.10144	3.0
134.03610	0.5
135.04375	0.9
135.08052	2.3
135.11665	3.1
137.02306	0.7
137.05977	3.4
137.09618	1.1
137.13252	0.8
139.03947	0.9
139.11139	0.6
143.08481	0.7
145.10103	2.0
147.04359	1.4
147.08063	1.0
147.11665	2.3
149.05936	1.3
149.09601	1.9
149.13255	1.4
151.03946	1.3
151.07530	26.2
151.11154	0.9
152.07965	0.8
153.05434	1.5
155.08563	0.6
157.10114	1.6
159.08046	0.8
159.11685	2.1
160.08684	0.5
161.05930	0.7
161.09605	1.1
161.13252	1.2
163.03917	0.6
163.07484	1.2
163.11182	1.0
163.14821	1.0
165.05409	0.8
165.09109	2.7
167.05634	0.9
167.07025	8.5
167.08453	1.0
168.07611	0.5
169.10095	0.7
171.04440	0.5
171.11652	0.8
173.13290	1.1
175.03932	0.7
175.07501	0.9
175.11113	0.7
175.14830	0.8
177.05502	0.9
177.09114	2.8
177.10434	0.5
179.07062	0.6
179.10675	1.4
181.08569	0.6
183.11682	0.6
185.13274	0.6
187.07516	0.7
187.11166	0.5
187.14822	0.7
189.09114	1.4
189.12692	0.6
191.03387	1.0
191.10612	7.1
193.08551	0.8
195.10191	1.3
197.11833	1.6
201.09212	0.7
203.10651	0.7
203.17882	0.7
205.12227	3.2
207.10114	0.6
211.07515	0.9
215.06953	0.8
215.14201	0.6
217.12250	1.0
219.13675	0.6
267.06586	1.1
279.06671	0.7
283.05972	2.0
295.06027	0.8
295.09711	0.7
296.06812	1.0
297.07571	0.5
309.07596	1.0
311.05542	1.0
313.07068	2.3
321.07477	0.6
323.05588	1.2
323.09225	0.9
324.06250	21.3
325.06775	2.1
326.07770	1.9
335.09174	1.6
336.06287	2.6
337.07050	3.7
338.07608	0.7
339.08591	32.8
340.09000	1.2
348.09903	0.9
351.08566	5.0
352.09338	5.9
353.10129	1.9
355.08221	0.9
357.09665	3.1
359.02887	1.1
363.12363	0.9
364.09445	2.7
365.10175	0.7
366.10956	1.6
367.11749	28.5
368.11835	0.6
369.09647	2.1
376.09390	6.4
379.11877	3.7
381.13281	10.2
385.12769	11.7
391.11801	10.2
392.12253	0.6
394.10526	1.0
397.13229	0.7
399.14438	2.5
409.12839	11.6
409.27283	1.7
427.13879	100.0
427.28409	2.4
428.14233	4.3
445.15103	5.0
445.24146	0.7
445.29181	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	444.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01395	0.6
53.03925	2.0
55.01852	1.4
55.05268	0.9
55.05508	13.0
55.66289	0.6
56.96554	0.9
57.03431	3.4
57.07066	0.8
58.06593	5.7
59.04982	2.7
60.83995	0.6
61.02915	0.8
67.05479	2.5
69.03420	8.2
69.41379	5.9
70.06599	3.9
71.04969	2.5
72.04528	1.1
72.08148	7.4
73.02910	3.7
73.04772	1.1
80.44967	0.6
81.03406	5.6
83.04983	7.2
84.04488	4.9
84.08138	92.0
85.02898	21.1
85.06532	3.1
86.06057	1.0
86.09710	1.4
87.04460	3.0
89.10811	1.5
91.05861	4.8
94.04204	1.3
95.04956	3.4
96.08136	0.9
97.02887	5.9
98.06068	0.8
98.09701	3.0
98.21564	1.0
99.04468	2.3
100.11260	3.8
101.06010	34.3
107.04971	0.8
109.02871	3.7
109.06496	1.2
110.02444	0.8
114.09181	1.1
116.98579	0.7
117.65588	0.7
119.04974	1.7
120.04491	1.0
121.02877	2.2
121.06517	2.8
121.10099	1.1
122.03654	3.8
123.04405	1.1
124.11224	1.2
127.03918	6.8
128.10706	32.9
130.05017	1.1
133.05234	1.2
135.04483	0.6
137.02345	3.8
137.05968	57.1
138.05440	3.5
138.06439	0.8
139.02153	0.9
139.03993	0.9
140.04724	0.9
144.10258	1.4
145.04987	2.4
146.11749	23.9
146.99768	0.7
147.04390	6.8
147.05290	0.7
149.06050	1.8
150.05551	1.0
151.07562	0.7
153.06657	1.5
161.06088	0.8
163.04005	0.9
163.07614	0.7
166.03317	2.2
166.04929	3.5
167.05626	2.3
167.07085	0.7
178.05099	2.6
179.05832	1.6
180.01112	3.5
183.01268	1.1
185.02777	1.1
186.02342	0.9
188.12915	1.9
194.02908	2.0
196.04404	2.1
197.01469	3.8
212.03766	20.4
213.04126	0.9
218.11911	1.7
218.14024	0.7
219.01833	0.7
220.52019	0.7
225.04536	0.7
230.14116	2.1
235.14650	2.2
242.15538	1.0
245.10307	0.7
251.07123	1.0
254.13945	1.4
264.12561	1.0
269.06406	0.6
272.14944	8.7
290.15964	54.3
291.16449	1.1
297.05325	7.9
308.17017	4.6
315.06763	1.8
359.02805	3.3
369.07941	2.0
426.17966	2.8
426.22308	2.2
444.22983	100.0
445.23248	4.4
454.21210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01863	2.2
55.05500	1.5
57.03429	1.4
58.06598	4.5
61.02919	1.9
68.05002	1.0
69.03425	5.9
70.06586	2.6
71.04987	1.1
71.62048	0.8
72.08147	3.2
73.02911	1.9
79.05492	1.5
81.03422	1.7
81.07047	3.3
82.33799	0.6
84.08136	2.0
85.02907	7.4
86.06065	4.1
86.09657	0.9
87.04465	1.2
89.10788	1.2
91.05441	0.6
93.07032	1.9
94.06596	0.9
96.08130	3.5
97.02892	3.6
97.06523	14.7
98.06055	1.7
98.09681	13.3
98.97570	1.3
108.08088	1.0
109.02847	0.7
110.09686	1.2
111.39808	0.6
114.05518	0.8
117.07006	1.0
124.07593	2.9
124.11219	24.8
125.05981	13.2
127.03896	2.6
134.09624	1.0
135.08069	1.8
136.11194	1.6
137.05986	0.8
138.05534	1.3
142.08621	2.6
142.12273	0.9
145.04985	0.9
147.04385	2.1
150.09174	2.5
150.12807	1.9
162.09120	9.7
163.07549	1.5
164.10698	11.2
173.09241	0.7
180.10220	3.8
206.11787	2.6
206.15227	0.6
211.14401	1.2
216.13048	0.8
223.14400	41.0
225.15990	1.7
235.17935	1.0
241.15431	0.7
247.18178	1.5
265.19107	21.7
266.17319	0.7
283.20132	14.9
283.23038	1.2
306.13516	0.7
342.15244	0.8
357.66531	0.7
403.20779	1.8
427.24344	2.4
445.12067	14.7
445.18774	9.4
445.25452	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	444.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05259	0.6
55.05507	9.0
57.03419	1.5
57.96364	0.5
58.06599	4.3
59.04985	1.7
61.04082	0.4
67.05493	0.9
68.05003	0.7
69.03424	3.8
70.24680	0.4
70.92049	0.4
70.92384	1.1
71.04983	0.8
71.07365	0.6
72.08157	0.7
73.02903	1.1
81.03403	3.7
83.04974	4.3
84.08138	52.6
85.02899	17.7
85.06534	1.2
85.08503	0.5
86.06063	0.6
86.09702	0.4
87.04446	1.1
95.04940	1.4
97.02889	2.4
98.09667	0.6
99.04443	1.1
100.11244	1.5
101.06010	22.0
109.02856	1.9
121.02829	0.9
123.04461	0.6
124.07558	0.6
127.03894	2.1
128.10704	15.7
130.38928	0.4
133.73610	0.4
135.04425	0.7
137.02328	7.9
137.06029	0.5
138.05533	0.6
139.03903	1.2
144.10184	1.2
145.04926	0.6
146.09253	0.5
146.11755	8.4
147.04419	0.6
151.03949	0.5
153.01784	0.5
155.03444	0.6
157.60161	0.5
161.02286	0.5
163.03912	1.0
167.03403	0.7
179.03404	0.9
181.04909	0.4
181.39093	0.5
182.08131	0.8
188.12793	0.9
220.26567	0.4
230.13858	0.9
254.13950	0.6
264.12186	0.5
272.14859	2.5
281.06546	0.5
288.14365	1.0
290.13095	0.8
290.15985	9.6
308.16998	0.4
426.12064	0.9
426.17514	12.9
427.18195	0.5
444.18588	100.0
445.18744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05502	10.9
55.17905	2.5
57.07059	5.9
67.05510	17.5
69.07061	27.9
69.98704	16.9
79.05477	8.6
81.07055	45.0
83.08607	14.9
85.06530	4.4
91.05462	8.0
93.07029	32.6
95.08601	100.0
97.10156	6.6
98.21469	5.2
105.07020	23.1
107.08589	71.5
109.10155	63.1
111.07989	2.7
111.11684	10.2
119.08573	44.1
121.10138	51.8
123.11698	32.9
125.09660	3.9
130.41077	2.7
131.08582	5.6
133.10132	45.5
135.11684	55.5
137.13223	20.5
138.50517	3.0
145.10115	8.6
147.11679	37.6
149.13260	19.5
151.11105	7.0
159.11681	13.0
159.69000	2.8
161.13287	21.5
163.14813	26.3
173.13260	7.8
175.14847	18.3
177.16360	18.4
179.14288	4.9
187.14803	8.4
189.16370	49.0
191.17928	23.0
201.16357	8.6
203.17950	28.9
205.19530	14.6
207.17439	40.4
215.17842	14.0
217.19492	36.2
219.21082	4.2
221.19064	26.5
229.19522	4.4
231.21053	13.6
241.19542	3.2
243.21082	5.2
245.22691	18.7
247.20543	5.9
255.21370	3.3
271.24173	15.2
285.25693	3.7
407.36731	32.4
425.37851	62.6
443.34091	6.2
443.38861	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03936	1.9
53.91885	1.4
55.05501	12.3
55.85398	1.5
57.07058	6.0
62.67316	1.5
65.31683	1.2
67.05499	22.4
68.55074	1.4
69.07058	32.7
71.32964	2.6
71.33302	1.9
79.05486	10.6
81.06570	2.5
81.07049	48.7
83.08601	8.2
85.06542	2.0
91.05465	11.1
93.07032	32.6
95.04974	2.9
95.08598	100.0
96.08942	3.2
97.06533	1.6
97.10152	7.0
105.07021	28.4
107.08585	66.9
107.60739	1.4
108.08899	1.7
109.06483	3.0
109.10147	75.1
110.10467	1.8
111.08084	4.6
111.11697	10.2
119.08569	46.5
121.10133	54.8
123.11696	32.8
125.13265	1.8
131.08546	7.1
133.10121	40.2
135.08002	1.8
135.11679	41.0
136.12059	3.8
137.13240	13.7
137.48549	1.8
138.13623	2.1
145.10095	9.9
147.11679	34.3
149.09641	2.6
149.13246	20.2
150.09969	4.3
151.11215	3.4
151.14841	2.4
157.10138	2.6
159.11700	12.2
161.13249	30.5
163.14813	19.8
165.12744	2.9
171.11726	2.6
173.13245	8.7
175.14818	21.1
177.16383	15.7
178.16701	1.8
179.14221	2.4
185.13264	1.7
187.14809	5.0
189.16368	34.5
191.17932	21.4
199.14876	1.9
201.16400	6.4
203.17931	49.5
205.19496	6.9
207.17439	20.0
213.16324	2.4
215.17892	7.9
217.19514	35.4
219.21127	2.5
221.18979	5.5
227.17981	2.5
229.19504	6.0
231.21072	7.3
233.18983	4.0
234.19391	1.7
241.19727	1.7
243.21123	4.8
245.22635	9.3
247.20605	4.0
257.22702	3.8
271.24210	5.3
285.25726	2.7
287.23663	3.0
289.24554	1.8
297.25696	3.0
306.16315	1.5
311.27087	1.9
315.27008	2.1
323.26987	1.7
329.28430	5.0
407.36646	19.0
425.37860	37.3
443.38211	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	443.388
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05508	8.9
57.07056	4.7
67.05502	13.0
69.07062	20.2
70.87165	5.2
73.05680	1.8
73.07983	1.5
74.20991	1.9
79.05484	8.6
80.42522	1.9
81.07056	31.1
83.08614	9.6
91.05481	7.9
93.07028	26.7
95.08596	61.9
97.10165	4.6
105.07008	17.6
107.08578	40.5
109.10143	48.7
111.11701	9.4
119.08563	31.6
121.10143	37.9
123.11700	23.2
125.09621	3.5
131.08560	5.3
133.10117	32.0
135.11676	36.1
137.13239	14.7
143.56418	1.6
145.10141	6.0
147.11697	23.2
149.13248	13.9
151.11197	2.2
151.14885	2.1
159.11697	6.9
161.13234	18.5
163.14818	16.4
173.13263	6.0
175.14812	16.0
177.16379	16.0
179.14348	2.2
187.14804	7.0
189.16359	37.5
191.17940	22.7
201.16364	4.8
203.17940	22.5
205.19446	14.2
207.17419	47.6
215.17879	10.4
217.19504	30.5
219.21112	5.1
221.19023	26.3
223.17407	1.7
229.19537	5.9
231.21042	13.0
233.19012	2.5
243.21094	4.2
245.22627	20.4
247.20557	6.2
259.24222	3.0
261.22244	3.1
271.24176	15.3
285.25790	3.8
297.25760	2.5
342.93222	1.7
407.36652	42.2
425.37720	68.6
426.37903	1.8
440.08887	2.0
443.34207	4.2
443.38834	100.0
444.39291	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3882
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.29160	3.3
55.05508	10.7
65.50900	3.4
67.05495	20.5
69.07064	30.5
71.19309	7.9
79.05497	7.6
81.07053	43.6
83.08607	10.5
85.07661	4.6
91.05488	8.5
93.07039	29.1
95.08603	100.0
97.10165	9.2
105.07030	21.2
107.08598	49.5
109.10153	73.6
111.08054	5.1
111.11726	8.0
119.08576	39.5
121.10145	50.7
123.11721	34.5
125.09667	3.6
126.56339	4.7
133.10143	28.2
135.11700	39.3
137.13246	8.5
145.10112	6.1
147.11623	23.7
149.13203	22.3
159.11696	5.6
161.13222	26.1
163.14832	16.5
173.13217	7.7
175.14798	20.4
177.16379	9.4
187.14796	3.7
189.16367	33.3
191.17963	15.4
201.16473	5.1
203.17921	48.8
205.19595	5.5
206.76060	4.1
207.17395	33.7
211.63649	3.8
215.17937	4.7
217.19510	27.1
221.19005	7.0
229.19547	6.2
233.71782	4.4
243.20947	5.9
245.97592	4.1
255.31868	3.6
271.24258	10.6
297.25742	4.2
315.26883	5.1
320.96634	4.3
329.28412	7.2
341.28482	4.9
407.36929	19.0
425.37592	41.5
443.33313	19.0
443.38864	27.8
444.23566	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	443.3878
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
54.29524	2.0
55.05507	19.1
56.68453	2.0
57.07067	8.4
67.05499	19.3
69.03419	2.4
69.07063	31.4
70.21185	7.4
70.21571	4.0
71.04976	3.1
71.08634	2.8
79.05499	13.4
81.07053	48.8
83.08596	13.9
91.05472	11.0
93.07030	37.8
95.04986	3.2
95.08598	100.0
97.10159	11.6
98.20818	2.5
105.07027	21.0
107.08584	50.6
109.10148	61.7
109.85778	2.0
111.11715	4.9
118.59173	2.0
119.06386	2.1
119.08576	30.6
121.06474	2.0
121.10139	51.2
121.11018	2.8
123.08057	4.8
123.11711	20.5
125.09653	3.8
131.08504	3.0
133.10126	21.1
135.08055	2.9
135.11681	34.6
137.05956	5.0
137.13219	10.1
139.07533	2.1
139.11150	8.0
145.10130	6.8
147.11668	21.4
149.05962	2.5
149.13243	24.4
151.07520	13.6
151.11127	2.6
151.14780	4.9
153.12729	1.9
159.11717	8.8
161.05977	3.5
161.09558	2.4
161.13243	18.1
163.14821	30.8
165.05539	4.0
165.09091	4.2
167.07025	44.2
173.13271	3.1
175.07599	3.2
175.14780	10.1
177.09094	3.0
177.16376	17.6
179.14326	3.1
187.11147	2.5
187.14854	4.7
189.09138	10.7
189.16415	9.0
191.17937	75.0
193.66876	2.1
201.16281	3.3
203.10625	2.4
203.17937	20.5
205.08580	5.5
205.19563	8.6
207.10139	5.2
207.17538	3.3
215.17972	4.1
217.12175	2.7
217.19487	27.7
221.19020	8.3
231.21054	3.8
233.19051	4.5
235.20557	31.0
247.20546	2.2
261.22144	2.3
270.80615	2.1
311.96481	2.2
329.28467	2.4
379.10760	2.0
395.36700	3.0
397.38455	2.7
407.36768	4.1
413.37759	5.1
415.32053	6.6
425.29974	3.6
425.37970	27.6
443.32260	11.8
443.38943	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
54.33494	0.3
55.05509	2.3
57.03432	0.5
57.07064	1.2
59.04982	0.4
62.03360	0.3
62.53661	0.4
67.05495	3.3
69.03447	0.4
69.07071	3.7
69.98079	2.2
71.05003	2.5
71.08607	0.6
74.09669	0.4
79.05492	2.8
81.07056	9.7
83.04982	0.6
83.08598	2.1
83.29691	0.4
85.06532	1.9
91.05476	3.7
93.07038	9.2
95.04973	0.8
95.08601	13.3
97.06528	1.2
97.10154	1.1
98.21438	0.4
99.08096	0.5
104.05996	0.3
105.07026	7.7
107.08596	12.2
109.06527	1.3
109.10157	11.4
111.08076	1.2
111.11720	0.6
113.09623	0.4
117.06992	1.0
119.08578	12.5
121.06508	0.6
121.10136	8.5
122.10500	0.4
123.08074	1.0
123.11694	5.0
125.09627	0.6
127.11200	1.2
129.06993	0.7
131.08563	2.7
133.06516	0.5
133.10132	10.9
135.04436	0.6
135.08072	0.6
135.11688	10.7
136.11955	0.5
137.09631	1.0
137.13240	2.1
139.11189	0.6
143.08571	1.6
145.10112	4.5
147.08044	1.2
147.11685	7.6
149.09602	0.7
149.13252	5.0
151.07564	0.7
151.11179	1.5
153.12677	0.5
157.10117	2.9
159.11688	5.7
161.09613	1.2
161.13242	6.4
163.11075	0.6
163.14813	2.8
165.12816	0.5
167.07039	2.8
169.10150	0.9
171.11682	2.1
172.12375	0.4
173.13281	3.3
175.11241	0.7
175.14801	4.2
177.12729	3.8
177.16432	1.5
179.14330	0.4
183.11740	1.1
185.13261	3.3
187.14801	4.1
189.12740	0.8
189.16362	7.4
191.14333	0.7
191.17934	1.8
197.13232	0.8
199.14815	2.1
201.16304	3.0
203.14322	7.1
203.17952	6.4
205.15833	2.0
205.19540	0.9
207.17418	4.3
211.14857	0.9
213.16414	1.7
215.14388	0.8
215.17972	1.2
217.15941	1.7
219.02931	1.2
221.15413	0.6
221.18985	0.9
225.16490	0.8
227.17935	1.0
229.16023	0.5
229.19521	0.5
235.16936	0.4
239.18015	0.8
241.19608	0.5
243.21082	0.4
245.18842	0.4
247.20749	0.5
253.19620	1.4
255.21117	1.6
257.19135	0.6
259.20575	0.6
261.03986	1.5
267.21124	1.0
271.20547	2.8
273.22150	1.2
281.22607	0.4
285.22208	0.6
287.05426	0.8
297.22162	0.9
299.23660	0.7
305.06607	0.8
311.23627	0.9
323.07718	0.6
325.25439	0.5
351.26846	0.7
389.32025	0.8
407.11551	0.5
407.33124	6.2
425.34265	4.0
443.35223	100.0
444.35532	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.70412	1.2
55.05508	7.9
57.07080	5.4
59.70936	1.2
64.48472	1.2
67.05507	14.6
69.03426	2.8
69.07059	16.1
69.29544	16.0
71.04981	1.8
79.05489	7.2
81.07050	31.8
83.04975	2.3
83.08620	10.0
84.76437	1.2
85.06538	2.7
90.64610	1.3
91.05492	6.1
93.07032	18.6
95.04996	3.7
95.08601	49.6
97.06531	11.1
97.10161	4.3
98.20718	3.2
105.07023	20.2
106.27276	1.3
107.08585	30.6
109.06541	3.0
109.10143	26.7
111.08060	12.0
111.11746	4.1
113.09611	1.6
117.07041	2.8
119.08568	32.0
121.06515	4.2
121.10132	31.0
123.08084	8.2
123.11694	20.7
125.09633	2.7
131.08606	4.9
133.10117	20.5
135.08087	5.6
135.11658	16.2
137.05989	2.0
137.09651	4.9
137.13263	11.8
139.11209	1.7
143.08598	2.0
145.10077	11.5
147.11668	12.9
149.09581	3.0
149.13271	12.9
151.07515	1.4
151.11259	2.0
157.10077	2.7
158.10986	1.8
159.11687	17.3
161.09691	1.8
161.13260	11.8
163.11237	3.6
163.14867	5.8
165.09161	5.7
167.07111	4.0
171.11746	2.2
173.13261	8.1
175.14871	9.5
177.09111	1.9
177.12782	3.1
177.16423	5.3
179.14400	1.7
185.13309	3.9
187.14905	5.7
189.12717	3.0
189.16342	15.3
191.14372	2.9
191.17961	11.8
193.15883	1.4
201.12944	1.6
201.16371	13.1
203.14302	1.5
203.18054	3.4
205.15973	4.3
207.17416	68.2
213.16432	1.5
215.14375	1.5
215.18021	5.4
217.15907	3.0
217.19621	2.3
219.17577	5.5
229.19612	1.4
233.15367	2.6
235.16992	3.3
235.20692	1.8
237.18590	5.2
243.21140	3.3
247.16844	2.4
257.22913	1.6
261.19031	1.6
261.22037	10.7
269.22647	1.4
271.20590	1.4
273.18509	2.0
273.22156	1.5
287.20050	1.6
379.34027	2.1
397.34732	12.9
407.33249	3.5
425.34100	30.4
438.91968	1.4
443.35254	100.0
444.35748	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	443.3518
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
54.13229	1.9
54.19962	1.6
55.05506	5.5
55.36261	1.6
56.73448	1.8
57.07057	2.5
61.97532	1.6
67.05493	8.6
69.03430	3.3
69.07064	13.2
69.79173	6.6
69.79599	6.0
79.05494	5.6
81.07050	21.3
82.16542	1.7
83.08617	5.8
91.05486	5.5
91.98039	1.8
93.07044	12.9
95.04951	3.2
95.08601	42.4
96.08933	2.7
97.06503	2.9
97.10161	2.4
99.08116	2.2
105.07014	11.1
107.08600	17.6
109.06517	5.3
109.10151	26.3
111.08056	4.1
111.11714	3.6
119.08572	15.6
121.10131	14.4
123.08109	2.7
123.11700	11.7
131.08560	6.2
133.10121	15.4
135.08058	3.5
135.11705	11.0
137.01717	1.7
137.09641	4.9
137.13298	5.3
143.08559	2.0
145.10101	5.4
147.11674	8.7
149.13239	13.2
151.11188	6.3
156.00067	1.8
157.10170	4.3
159.11685	8.4
161.13290	6.5
163.14822	5.1
165.09082	3.6
171.11780	2.6
173.13234	8.1
175.14819	17.1
177.12756	2.2
181.04912	2.4
185.13232	2.3
187.14818	3.8
189.16454	4.7
191.17924	10.7
193.15894	3.4
199.14857	2.6
201.16438	3.6
203.14307	3.4
205.19527	9.0
207.17526	2.4
213.16394	2.6
215.17909	3.5
219.13814	3.8
233.18930	2.2
243.17653	2.0
379.14133	1.7
407.33185	8.4
425.34058	18.3
443.35300	100.0
444.35510	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.05506	1.8
55.24971	0.2
57.03429	0.4
57.07058	0.8
59.04980	0.3
59.95321	0.3
65.03948	0.3
67.05168	0.4
67.05499	5.2
67.89134	0.2
69.03417	0.5
69.07063	2.9
69.59037	1.8
70.06566	0.2
71.04958	0.5
72.08134	0.5
79.05482	1.7
81.03406	0.4
81.06573	0.4
81.07051	6.8
83.04957	1.0
83.08615	1.2
85.02889	0.6
85.06524	0.5
85.10234	0.2
87.34050	0.2
91.05482	1.8
93.07039	2.6
95.04956	1.1
95.08597	5.2
96.08930	0.4
97.02900	0.5
97.06532	1.0
97.10148	0.8
99.04430	0.4
99.08069	0.4
103.05429	0.4
105.07030	1.9
107.04948	0.6
107.08591	2.7
109.02812	0.3
109.06509	1.0
109.10145	6.7
111.04433	0.4
111.08110	0.3
111.11665	0.5
113.09513	0.2
117.07018	0.5
119.04926	0.3
119.07787	0.3
119.08578	4.2
121.06520	0.8
121.10144	2.0
122.07290	1.7
123.04458	0.3
123.08102	1.4
123.11693	1.6
125.05958	0.5
125.09625	0.4
127.03921	0.4
127.11171	0.3
129.06967	0.5
131.03656	0.3
131.08548	0.7
133.06474	0.3
133.10120	1.5
135.08060	0.8
135.11687	1.5
137.05902	0.4
137.09604	10.8
137.13219	0.8
139.07573	0.4
139.11183	0.3
143.08531	0.5
145.10104	0.7
147.04375	0.8
147.11676	1.2
149.05963	0.6
149.09601	0.7
149.13239	1.8
151.07530	9.7
151.11111	0.3
153.05476	0.3
153.12897	0.2
157.10065	0.4
159.08037	0.3
159.11688	0.7
161.05956	0.5
161.09592	0.4
161.13257	0.7
163.04008	0.2
163.07515	0.4
163.11191	0.3
163.14813	1.1
165.09102	100.0
166.09435	1.4
167.07030	7.9
169.10098	0.4
171.11647	0.4
173.09552	0.4
173.13280	0.5
175.07550	0.4
175.11122	0.5
175.14786	0.4
176.08286	0.2
177.09100	0.9
177.16422	0.4
179.10669	0.4
181.08582	0.3
183.11812	0.2
184.76666	0.2
185.13278	0.3
187.07535	0.2
187.11092	0.5
187.14841	0.3
188.08206	0.2
189.09038	0.6
189.16339	0.5
191.10638	2.0
191.17975	0.5
193.08589	0.4
195.17450	0.3
199.11285	0.2
203.10645	1.7
203.14319	0.4
203.17915	0.6
205.08530	0.3
205.12225	4.1
207.06609	0.4
207.10068	0.6
215.14290	0.3
217.12233	0.4
217.19572	0.5
219.10283	0.3
229.12216	0.5
231.13644	0.3
235.20450	0.2
273.25754	0.6
291.26727	1.7
334.79401	0.2
351.12283	0.3
370.96042	0.2
379.11777	0.6
383.14981	1.2
407.11115	0.3
425.12152	0.4
425.30396	0.9
425.34628	0.7
443.13043	0.5
443.26492	0.6
443.31116	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.3
57.07066	5.0
57.23244	2.5
57.51595	2.7
67.05492	9.2
69.07062	13.6
79.05508	5.5
81.07053	34.5
83.08624	5.3
91.05479	7.2
91.46288	3.3
93.07031	17.7
95.08604	29.8
97.10186	4.4
105.07025	6.6
107.08584	14.2
109.06535	5.0
109.10178	17.6
119.08566	5.4
121.10149	9.4
123.08051	4.2
123.11691	9.3
131.08624	3.2
133.10107	3.1
135.11711	10.1
137.05948	14.2
137.13234	3.5
139.07558	3.4
149.05957	5.3
149.13269	7.2
151.07536	30.3
159.08046	4.2
161.13266	3.1
163.14832	4.6
165.05396	20.9
165.09088	6.2
167.07025	100.0
173.09669	3.5
175.07565	5.4
175.14824	4.3
185.09514	4.4
189.09109	23.8
191.10678	3.5
193.08560	3.9
201.12309	3.0
203.10661	12.8
205.08600	7.6
205.12224	3.9
207.10187	9.8
217.12270	6.1
229.74210	3.3
312.08249	3.4
425.30499	13.9
443.32440	10.7
443.33847	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	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01865	6.4
55.02092	1.2
56.90559	0.9
57.03430	12.0
57.07059	0.8
58.07759	0.9
59.04980	1.6
61.02924	11.7
69.03426	30.6
69.30116	5.3
69.30547	4.8
71.01342	3.5
71.04968	1.5
71.08620	1.5
72.94717	0.9
73.02914	61.7
81.03401	6.3
83.04949	1.4
85.02899	100.0
87.04451	3.1
91.03941	3.1
93.07037	1.0
95.08593	0.9
97.02885	56.1
97.06506	0.9
99.04435	4.6
103.03922	2.8
109.02876	7.8
115.03924	28.6
127.03909	35.2
132.06561	1.0
133.04958	44.0
133.10156	1.1
133.90065	0.9
143.03339	0.9
145.04945	48.4
150.07610	2.3
151.03864	1.1
151.07550	1.6
157.05022	1.0
163.06007	32.8
167.07062	2.0
169.04886	1.5
175.06024	1.2
193.04973	2.7
199.06033	2.2
207.28682	1.0
217.06873	1.7
223.05988	8.0
241.07030	8.8
259.08124	11.8
277.09146	2.0
293.19479	2.1
295.10269	3.9
305.14926	0.9
365.03687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05509	1.2
56.05031	0.7
57.03434	0.5
60.04512	0.6
60.05648	6.0
69.03413	1.4
69.06708	0.7
69.07064	8.0
69.71591	2.6
70.06590	22.6
70.50140	0.4
71.04992	1.1
71.93565	0.4
72.04533	0.6
72.08154	10.7
79.05520	0.6
81.03413	0.6
81.07061	0.5
84.08149	1.5
85.02903	1.9
86.09702	99.4
87.10034	0.6
89.10782	1.1
91.05462	1.0
95.04959	0.8
95.08614	0.5
97.02885	1.1
97.07605	0.7
98.06047	1.9
98.21529	0.4
99.04392	0.6
102.31310	0.5
105.07019	0.8
107.04939	1.2
107.08591	0.8
109.02869	1.0
110.02399	4.8
111.02738	1.1
111.04453	0.4
112.02894	0.5
112.08724	4.2
113.07127	0.8
114.10294	1.3
115.08682	4.9
116.07088	8.5
119.04956	1.5
119.08587	0.6
120.08067	0.5
121.02862	1.1
121.06516	0.4
123.04396	0.4
123.11718	0.5
124.07569	0.5
127.03928	3.6
128.10715	16.1
128.11708	0.7
129.10193	0.9
130.09726	3.2
130.12885	0.4
131.08524	0.5
133.02908	0.4
133.09796	0.5
135.04375	0.6
136.07655	0.5
137.05963	0.6
145.02884	1.1
145.06517	0.4
147.04422	5.2
147.07944	0.6
148.04721	0.7
150.09138	0.5
152.07068	2.4
153.07440	1.0
154.08678	0.6
155.11716	0.5
156.10162	1.8
156.11339	8.2
157.10887	0.9
158.09245	7.2
159.07774	0.4
163.03972	0.7
167.07126	1.2
169.09702	2.0
170.10164	0.8
175.04047	0.5
175.11896	17.9
177.05469	2.2
187.03979	0.7
209.04532	0.5
213.05357	0.5
225.05431	0.6
226.15483	0.6
237.09010	0.5
253.16632	0.6
269.93433	0.5
271.17609	6.7
275.23596	0.6
281.18649	6.2
294.05255	0.6
295.06137	1.2
295.88403	0.4
313.06760	0.5
325.06912	0.5
337.07117	1.6
341.06369	0.6
353.06509	0.5
355.08170	0.7
379.08115	0.7
383.14890	0.9
425.08871	0.6
425.17181	0.5
425.28531	0.7
443.29770	100.0
444.23129	0.8
444.30014	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	442.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05495	0.5
57.03423	0.5
57.59711	0.3
67.54585	0.3
68.05032	0.7
69.03400	1.8
69.07029	0.3
69.79111	0.6
69.79520	1.3
70.06583	8.8
71.04983	0.3
72.08136	1.3
73.02911	0.4
81.03413	1.7
81.07037	0.4
83.04944	0.6
84.08138	4.1
85.02413	0.5
85.02893	6.6
85.03363	0.6
87.04476	0.4
88.99879	0.3
94.06558	1.0
96.08118	9.9
97.02913	0.9
98.09681	100.0
99.04427	0.4
99.10025	1.2
101.05978	0.4
106.85587	0.3
107.04906	0.4
109.02901	0.4
110.02398	0.8
111.04428	1.2
114.09159	3.3
114.12777	0.3
119.04977	0.5
121.02861	0.4
123.04388	0.3
127.03897	0.9
128.42383	0.3
133.23286	0.3
135.04372	0.5
136.06186	0.4
137.02327	1.6
137.05974	0.9
138.05473	0.5
142.08617	13.4
144.10179	19.7
145.02780	0.5
145.10497	0.3
147.04340	2.0
148.04749	0.5
152.07010	0.4
158.99562	0.3
161.02385	0.4
177.05531	0.6
179.03351	0.8
218.11626	0.4
224.12767	0.8
238.57547	0.4
242.13882	1.1
252.12300	2.4
260.14923	0.4
270.13354	5.5
286.12875	0.6
288.14349	6.4
306.15280	0.6
309.54974	0.3
321.77969	0.3
339.07492	0.3
396.16534	0.7
424.15945	3.7
435.40115	0.3
442.16931	72.3
443.17389	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	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
54.50309	0.9
54.62695	1.1
55.05505	2.7
57.07070	1.7
57.96728	1.1
60.44647	1.1
67.05501	5.3
69.07058	7.6
70.44504	1.1
70.75487	2.4
70.75840	1.8
71.08589	1.0
78.89576	1.2
79.05482	2.8
81.07053	13.4
83.08628	1.8
91.05470	5.4
93.07034	8.7
95.08603	26.7
97.10162	2.4
105.07012	6.8
107.08598	17.9
109.06506	2.7
109.10149	15.8
111.08087	1.0
111.11717	2.6
119.08575	12.9
121.10139	15.3
123.08076	4.4
123.11711	7.3
124.00002	1.2
131.08516	2.8
133.10118	13.6
135.11690	22.6
137.09615	1.7
137.13226	2.8
143.08623	1.1
145.10141	6.6
147.11676	11.2
149.13275	5.0
151.11195	1.5
157.10046	1.4
159.11708	5.2
161.13271	4.1
163.14830	5.2
171.11714	1.5
173.13284	4.2
175.14813	3.4
177.16299	2.4
185.13196	1.3
187.14850	2.9
189.16371	26.2
189.18065	1.3
191.17892	8.4
197.44618	1.2
199.14809	1.5
201.16370	15.4
203.18019	3.0
205.19626	1.5
207.17429	37.4
213.16455	1.6
215.17989	3.3
217.19536	1.8
219.17426	56.9
220.17839	2.3
233.18991	1.4
235.17018	1.8
239.91756	1.2
243.21175	1.6
249.18648	2.0
255.21097	1.5
269.22797	1.8
273.89209	1.2
301.25354	1.8
345.28119	1.1
405.35175	4.5
423.36319	14.9
441.37329	100.0
442.37802	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
55.05494	16.4
57.07059	3.8
57.61191	3.4
59.46288	3.7
67.05508	28.5
68.66609	3.2
69.07066	22.9
70.64455	5.0
76.66389	3.2
79.05483	15.4
81.07047	75.3
81.80945	4.1
83.08591	9.9
91.05475	18.5
91.05939	3.3
93.07034	43.1
94.07354	4.6
95.04979	6.4
95.08598	100.0
97.06498	6.3
97.10157	9.9
105.07012	40.5
107.08589	66.4
109.06493	5.9
109.10155	72.3
111.08061	34.0
119.08579	57.0
121.06459	5.1
121.10130	60.7
121.48441	3.1
123.08053	8.5
123.11684	26.3
125.09596	7.2
131.07707	3.8
131.08531	17.7
131.09407	3.3
133.10123	38.8
135.07945	4.6
135.11673	33.5
137.09628	4.2
137.13219	14.8
139.11104	6.5
143.08571	4.2
145.10120	24.5
147.11661	29.7
149.13248	30.9
151.11087	5.1
157.10097	9.0
159.11668	23.2
161.09625	4.7
161.13222	28.5
163.11188	3.6
163.14787	31.7
171.11658	8.3
173.13232	19.5
175.14807	24.0
177.16391	24.0
183.11713	4.3
185.13275	4.1
187.14886	18.9
189.12708	3.9
189.16397	26.8
191.14204	4.8
191.17911	16.3
193.15793	5.3
199.14848	5.7
201.16321	16.5
203.14406	5.5
203.17953	37.1
205.15741	7.4
205.19528	6.2
207.17392	13.3
213.16393	4.9
215.17928	16.8
216.00978	3.5
217.15889	4.1
217.19505	14.5
219.17418	14.6
221.18993	15.0
229.19482	11.9
231.21033	5.7
233.15356	5.0
233.18994	11.6
243.20964	4.6
245.22891	4.0
247.20552	5.9
252.88258	3.9
261.22144	4.8
302.41089	3.8
377.32132	3.8
405.31204	4.1
411.36002	15.8
423.31287	6.1
423.36771	34.9
441.32291	27.8
441.37384	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	441.3724
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
52.99301	1.7
54.48836	2.1
55.05508	16.3
57.07058	4.7
59.04986	2.4
67.05498	25.5
67.43953	2.1
67.99324	1.7
69.07060	28.2
71.02256	3.3
71.02604	3.8
71.08614	2.6
79.05479	16.5
81.07049	58.7
83.08616	16.2
85.06511	2.8
90.46697	2.1
91.05466	15.5
93.07030	46.7
95.04932	3.0
95.08598	100.0
97.06506	5.9
97.10159	9.1
99.08017	2.4
105.07010	46.1
107.08585	70.5
109.06494	7.0
109.10147	61.4
109.10906	2.2
111.08069	67.7
113.09666	1.9
117.07011	6.9
119.08567	55.3
121.10134	53.0
123.08067	8.6
123.11693	25.4
124.64903	2.0
125.09638	6.0
131.08531	18.2
133.10112	48.6
135.08041	4.1
135.11690	34.4
137.09650	3.9
137.13258	10.4
139.11162	5.2
143.08569	6.9
145.10118	28.9
147.11665	32.1
149.09601	5.3
149.13251	33.7
149.14386	3.9
151.07544	3.1
151.11186	4.8
153.12698	2.4
157.10124	7.2
159.00362	2.2
159.11665	26.7
161.09644	3.1
161.13219	30.8
161.14406	2.5
163.11118	2.6
163.14806	40.1
165.09081	19.5
165.12717	5.4
167.06967	2.5
169.10081	2.1
170.06302	2.1
171.11699	6.2
173.13239	17.7
175.11183	3.6
175.14810	21.3
177.16388	28.7
179.14320	9.9
183.11633	2.6
185.13258	4.7
187.14801	13.5
189.09077	3.3
189.16354	32.6
191.10573	2.4
191.14285	3.7
191.17955	20.1
195.17314	2.3
199.14844	7.5
201.16336	15.2
203.14444	2.6
203.17953	36.7
205.12297	2.6
205.15866	6.6
205.19571	4.8
207.17426	20.7
208.85495	2.2
213.16393	5.6
215.17964	17.8
217.15776	2.5
217.19560	13.4
219.17474	13.5
221.18974	17.7
227.17914	4.8
229.19498	8.7
231.17361	3.6
231.21043	2.4
233.15311	2.9
233.18974	14.8
235.20468	3.9
241.19412	2.5
243.17293	1.9
243.21080	4.7
245.18886	2.6
247.20502	4.4
251.20120	2.4
255.21153	4.1
261.22058	3.0
269.22583	3.6
271.23691	2.0
273.22049	5.3
279.28470	2.2
283.24130	2.3
331.26318	5.4
349.27414	5.8
393.34985	2.2
395.36926	2.9
405.35150	6.1
411.36237	28.9
423.31180	14.2
423.36176	41.0
441.32278	8.0
441.37170	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	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03946	2.5
55.05497	10.6
57.03439	2.8
59.29766	1.7
65.34228	2.1
67.05505	26.8
69.03431	2.2
69.07063	23.4
69.61386	16.5
71.08611	2.7
73.68366	1.9
76.38263	2.2
79.05491	11.4
81.07047	43.7
83.05015	2.7
83.08611	12.4
85.02895	2.8
91.05473	13.6
91.81071	2.1
93.07043	36.8
94.07368	2.4
95.04951	4.0
95.08601	78.9
97.06528	4.8
97.10181	7.4
98.21466	3.7
98.55835	2.0
105.07030	32.6
107.08591	63.3
107.09281	3.9
109.06532	2.9
109.09443	4.3
109.10150	55.9
111.08093	8.7
111.11729	2.9
115.05454	2.1
117.07022	4.2
119.08574	52.2
121.10137	45.9
123.08079	6.6
123.11676	20.7
124.57289	2.0
125.09642	9.8
131.08531	11.7
133.10120	42.9
135.11678	46.6
137.09653	6.7
137.13245	12.2
143.08542	5.7
144.09338	2.4
145.10120	20.3
147.11667	27.3
148.12077	2.6
149.13260	17.0
151.11198	2.6
151.14793	3.2
153.12729	2.2
157.10132	9.1
159.11687	24.5
161.09541	2.5
161.13249	24.4
163.11247	3.5
163.14789	17.9
165.09082	2.2
167.06949	2.3
167.14343	2.5
169.10164	4.8
171.11699	7.2
173.13243	25.7
175.11214	2.9
175.14807	16.4
177.12752	2.9
177.16370	10.0
179.14322	3.3
183.11642	2.4
185.13245	4.4
187.14795	14.8
189.16379	30.8
191.14333	2.6
191.17996	11.6
197.13252	3.5
199.14821	4.5
201.16301	12.6
203.17963	24.3
205.15915	3.0
207.17487	9.0
213.16447	5.0
215.18018	13.1
217.19536	7.1
219.17456	7.9
221.19035	4.2
223.14760	2.5
225.16400	4.0
227.18031	3.1
229.19537	8.5
233.15363	4.4
233.18958	5.7
241.19495	3.7
243.21191	12.2
245.22652	2.6
247.20636	8.4
255.21013	6.0
257.22543	4.4
261.22168	10.1
269.22684	5.0
273.22150	5.2
275.23801	5.2
285.18677	2.5
285.22067	5.8
287.23706	7.1
297.25677	2.6
301.25018	2.5
304.80164	2.3
306.61160	2.2
313.25357	2.5
327.26569	2.4
331.26224	2.4
348.21332	2.2
381.12485	2.7
395.33322	2.7
405.35254	6.7
423.36551	52.1
441.13269	17.6
441.37732	100.0
442.13278	3.8
442.38031	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05503	20.6
57.07051	10.5
67.05489	29.5
69.07063	38.1
71.04964	4.3
71.08612	3.3
71.17094	7.0
71.17422	4.8
72.08160	4.6
79.05497	23.1
81.07050	62.2
83.04964	3.8
83.08617	25.4
85.06557	5.0
91.05483	27.3
93.07034	48.4
95.04959	5.5
95.08601	92.5
97.06544	5.5
97.10162	8.2
99.08108	4.8
105.07021	51.7
107.07854	5.7
107.08585	87.7
109.06496	8.3
109.10149	72.0
111.08037	7.0
113.09682	3.9
116.51185	4.3
117.07003	11.0
119.07784	7.0
119.08580	91.9
121.10146	60.5
123.04446	4.3
123.08074	5.6
123.11713	29.1
127.11163	6.7
129.07047	4.4
131.08574	35.6
133.10118	71.6
135.08070	6.6
135.11668	60.4
137.09628	8.0
137.13246	14.5
143.08519	10.3
145.10106	49.3
147.11673	49.4
149.09631	8.2
149.13255	21.2
151.11139	5.7
157.10118	13.5
159.11673	50.6
161.13216	42.2
163.07602	4.8
163.11201	4.3
163.14821	34.1
163.22673	3.7
165.09094	13.4
171.11707	13.9
173.13266	33.4
175.14842	45.3
177.09109	5.0
177.16379	38.7
179.14288	10.5
183.11713	6.5
185.13174	9.3
187.14786	31.0
189.08963	4.5
189.12715	4.0
189.16357	37.9
191.10587	3.8
191.17926	34.3
193.15851	4.2
197.13290	7.6
199.14809	16.0
201.16374	55.7
203.17953	45.4
205.15837	7.8
207.17473	38.6
211.14735	4.7
213.16339	12.6
215.17941	90.5
215.19919	7.0
217.12234	5.0
217.15799	5.0
217.19487	12.0
219.17413	11.5
219.20966	4.1
221.19009	6.9
225.16341	3.5
227.18016	6.3
229.19473	13.3
233.18990	14.8
241.19507	8.1
243.21114	16.2
255.20964	5.5
269.22668	5.7
387.28629	4.4
405.35110	24.9
423.36368	100.0
424.36304	4.5
441.13193	14.6
441.37204	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	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.59577	1.0
52.98191	1.2
53.03941	2.0
55.01871	1.3
55.05511	11.3
57.07072	4.4
58.35221	1.2
65.03948	2.1
66.67253	1.0
67.05502	28.4
69.03410	1.3
69.07070	18.7
69.76917	6.3
71.04991	1.2
79.05489	14.7
81.03448	1.2
81.06569	2.7
81.07051	56.1
83.04980	2.8
83.08611	10.2
85.06554	1.5
87.34317	1.1
91.05470	13.8
93.07037	40.1
93.07622	2.0
95.04964	5.0
95.08599	100.0
96.08963	1.1
97.06522	2.8
97.10159	6.4
99.08094	1.6
105.07021	33.9
107.04977	3.6
107.08585	58.1
109.02908	2.1
109.06514	5.3
109.10145	52.0
111.04475	1.4
111.08072	26.7
111.11729	2.0
117.06961	5.7
119.08569	40.8
121.02877	2.3
121.06516	1.9
121.10140	44.6
123.04425	16.2
123.08086	3.6
123.11695	22.8
125.09637	4.3
127.03977	4.1
129.07037	2.8
131.08562	12.2
133.10120	41.5
135.04448	1.9
135.08070	2.5
135.11682	37.1
137.05962	1.5
137.09663	3.7
137.13254	9.1
139.03938	1.6
139.11176	9.2
143.08589	4.8
144.09381	1.7
145.06538	4.3
145.10110	19.8
147.04457	1.9
147.11673	24.4
149.05981	1.8
149.09645	2.2
149.13260	29.2
151.03940	1.8
151.07570	3.9
151.11220	3.7
151.14848	2.2
153.12804	3.1
157.10121	6.5
158.10915	1.4
159.11671	22.1
160.12531	1.3
161.13252	26.2
163.11200	2.1
163.14803	22.2
165.09084	7.9
165.12799	5.0
167.07074	5.2
171.11690	5.5
173.13242	18.4
175.07571	1.2
175.14816	20.5
177.09145	2.4
177.12874	1.7
177.16376	16.7
179.08513	1.1
179.14348	2.6
181.08574	1.0
183.08083	1.1
183.11775	1.4
185.13306	4.9
187.14796	11.9
189.05507	1.7
189.09137	1.7
189.16370	19.9
191.03397	1.9
191.10785	1.3
191.14340	3.3
191.17966	10.1
192.26932	1.2
193.15863	6.6
195.02951	1.6
195.11755	1.9
195.17397	11.3
197.13177	2.6
199.14900	3.6
201.09108	1.2
201.16360	17.2
201.17984	1.5
203.10724	1.5
203.17937	26.5
205.12312	1.8
205.15878	3.0
207.17451	11.6
213.16513	5.1
215.17958	18.2
215.19872	1.6
217.16025	2.6
217.19514	14.7
219.17462	12.1
221.18993	9.9
227.17938	7.7
229.19498	19.6
231.06573	2.5
231.17508	1.9
231.21024	2.1
233.19019	9.2
241.19661	3.1
243.21155	4.6
245.19011	2.7
247.20604	9.1
255.06502	1.3
255.21094	4.2
257.22742	4.5
259.20712	2.3
261.22250	3.1
267.21118	1.3
269.22812	4.4
271.24307	2.1
273.22174	3.9
275.23840	3.9
279.10464	1.2
283.05963	1.2
283.24356	3.1
287.23758	4.3
293.04489	1.9
293.07977	1.4
295.06091	4.5
297.07590	1.2
298.05026	1.4
299.05493	14.6
300.05930	1.2
301.25363	2.4
305.08182	3.4
311.05450	5.7
313.25229	1.8
319.09766	2.9
325.07343	2.3
329.28442	2.1
335.09216	1.4
337.07034	10.5
337.10629	1.6
347.09088	7.2
349.10464	1.4
351.30988	1.3
352.09708	1.5
353.10123	10.2
354.10495	2.2
365.10156	13.4
365.31824	1.7
367.11945	1.8
367.22839	1.5
369.31772	2.3
373.12866	1.8
383.33188	2.8
395.11346	1.4
405.35303	6.4
411.36349	4.1
423.14273	10.1
423.36252	45.0
424.36682	3.2
441.14459	22.5
441.19849	9.1
441.28159	18.6
441.37451	44.4
441.43323	2.4
442.15582	4.3
442.20752	1.5
442.28220	1.1
442.37756	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	441.3722
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05500	1.7
57.07084	0.7
62.32085	0.3
63.74155	0.3
63.94619	0.3
67.05503	2.3
69.03423	1.0
69.07062	3.7
69.30281	0.3
69.66702	0.3
70.88734	1.0
79.05481	1.0
79.69866	0.3
81.07050	6.4
83.04982	2.5
83.08624	1.7
85.06537	0.6
91.05488	1.0
93.07042	3.8
95.04949	1.0
95.08601	12.8
96.45371	0.4
97.06501	0.7
97.10153	1.0
105.07016	2.3
107.08588	7.2
109.06520	1.2
109.10152	6.9
111.08057	0.9
111.11710	1.4
117.07034	0.4
119.08573	4.4
121.06517	0.8
121.10136	6.7
123.08054	1.2
123.11702	4.0
125.09619	0.4
131.08553	1.1
133.10110	3.7
135.08037	2.4
135.11674	7.7
137.09618	1.0
137.13266	3.5
139.11188	0.7
144.09297	0.4
145.10095	1.4
147.11668	2.4
149.09610	11.1
149.13214	2.7
151.11208	0.7
151.14856	0.4
155.08424	0.3
157.10097	0.7
159.11668	1.9
161.09625	0.7
161.13289	2.0
163.11191	1.4
163.14803	1.2
171.11671	0.5
173.13332	1.6
175.14828	2.8
175.23099	0.3
177.12755	0.9
177.16353	2.4
179.14326	0.8
187.14832	1.1
189.16351	3.7
191.14368	0.4
191.17967	4.3
199.14798	0.7
203.18010	0.9
205.15852	0.6
205.19473	1.8
207.17435	0.6
213.16467	0.5
215.17946	3.0
217.15855	0.6
217.19456	0.6
219.17426	0.4
227.17924	0.5
229.19577	0.7
231.17459	1.3
233.19005	4.4
235.16942	1.1
238.81607	0.3
241.19341	0.3
243.21175	0.5
245.18997	0.9
247.20518	0.5
257.22672	0.5
259.20694	0.5
261.22220	0.7
263.19882	0.5
269.22772	0.9
272.32855	0.4
283.24167	0.6
287.23672	7.5
373.15485	0.4
383.13504	0.3
405.35239	0.6
423.36160	1.4
441.37253	100.0
442.37555	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	441.3725
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.96392	2.3
55.05505	14.0
56.16778	2.5
57.07066	5.3
64.62400	2.4
67.05505	11.3
68.05063	2.6
69.07066	22.3
69.97290	12.5
69.98898	2.3
78.30457	2.6
79.05492	8.8
81.07049	39.9
83.08624	9.8
85.06538	2.9
91.05479	7.2
93.07027	20.8
95.08601	69.8
96.64888	2.8
97.10155	8.9
99.04478	3.6
105.07010	18.8
107.08594	36.1
109.10143	43.3
111.11705	6.9
119.08577	19.5
121.10123	31.5
123.11696	24.9
127.07533	2.6
133.10126	20.9
135.11684	27.9
137.09500	3.2
137.13231	17.4
145.10110	4.2
147.11661	12.9
149.13240	12.7
151.11169	3.5
153.09157	3.2
159.11684	4.6
161.09625	2.9
161.13254	12.8
163.14836	6.8
167.10657	5.5
175.14825	9.3
177.16447	6.2
181.12393	2.9
187.14819	5.6
189.16455	5.5
191.17999	7.9
195.13802	4.0
201.16354	4.0
203.17982	5.8
205.19550	14.4
209.15346	3.4
217.19604	10.5
223.17012	7.1
229.19586	5.5
231.21071	9.6
237.18382	3.1
243.21088	4.9
245.22609	21.7
249.18416	4.2
257.22604	6.1
263.20062	3.7
271.24310	8.4
273.25977	3.0
285.25714	6.6
291.23233	4.0
303.23172	6.1
317.24973	3.5
345.34201	2.4
441.37332	100.0
442.37430	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	441.3723
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.76472	2.5
55.05499	10.4
57.07069	4.9
65.62567	2.2
66.93095	2.2
67.05497	22.9
69.07061	32.8
69.29955	2.1
69.30257	27.2
79.05476	13.1
81.07050	51.0
83.08604	13.2
91.05467	8.6
93.07030	34.1
95.08598	100.0
97.10142	8.7
105.07030	22.1
107.08585	50.0
109.10150	79.1
111.11720	12.8
117.07022	3.7
119.08581	59.2
121.09312	4.4
121.10134	57.3
123.08064	5.9
123.11694	39.8
125.09605	3.7
129.06963	3.3
131.08548	13.6
133.10117	34.1
135.11697	31.5
137.09584	3.4
137.13246	14.7
137.65688	2.2
142.07739	4.4
143.08543	8.5
145.10107	18.9
147.07964	2.7
147.11656	15.4
149.13258	22.0
151.14722	3.0
156.09288	2.9
157.10129	16.8
159.11670	25.9
161.09555	2.9
161.13234	24.4
163.11278	3.7
163.14841	13.4
165.12769	4.9
171.11607	13.4
173.13264	28.8
175.11191	2.4
175.14813	19.0
177.16325	13.1
179.14314	4.4
183.11833	3.6
185.13203	8.6
187.14806	11.9
189.16380	16.5
191.14276	4.5
191.17899	21.0
193.15862	3.3
193.19418	3.7
199.14775	14.3
201.16389	8.7
203.14252	2.6
203.17944	6.2
205.15916	3.7
205.19495	10.0
211.14838	4.3
213.16426	11.3
215.17966	6.0
217.15845	9.2
217.19475	6.1
219.17421	7.0
219.20990	3.6
225.16151	3.2
227.17953	6.0
231.17513	11.8
231.21025	19.7
233.19028	3.5
235.16879	17.9
237.04953	2.6
241.19441	3.7
245.22679	3.7
249.18440	3.3
255.20905	3.1
267.21017	2.9
269.22626	20.7
283.24426	2.5
295.23871	3.1
299.80331	3.0
309.25885	4.3
321.25772	3.7
323.27478	3.4
345.27756	6.2
349.28879	2.4
395.36703	2.8
399.36551	2.4
405.35083	56.8
406.35526	3.0
423.36533	33.9
441.37744	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	441.3722
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05492	10.1
67.05491	20.2
69.07059	31.5
70.80883	12.5
70.81234	4.0
74.09369	3.8
79.05453	9.0
81.07052	55.4
83.08598	11.1
85.49461	3.9
91.05462	10.5
93.07037	29.1
95.08601	100.0
95.98430	3.8
97.04247	3.5
97.10164	4.6
105.07025	16.4
107.08596	53.5
109.10146	79.7
111.07992	3.6
111.11692	12.9
117.06999	4.8
119.08582	49.0
121.06485	6.3
121.10137	66.6
123.07970	6.1
123.11695	32.2
131.08578	8.6
133.10112	28.9
135.08037	5.0
135.11678	30.2
137.13266	22.3
143.08534	5.8
145.10117	17.1
146.49040	4.1
147.11658	25.9
149.13251	21.5
157.10083	12.8
159.11662	17.2
161.13257	16.0
163.14809	16.9
171.11661	10.3
173.13252	17.6
175.11131	4.7
175.14803	21.3
177.16356	12.8
183.11679	5.2
185.13321	4.7
187.14784	18.7
189.16385	20.4
191.17946	29.3
199.14835	11.8
201.16299	11.7
203.17986	11.3
205.15817	8.3
205.19525	25.9
213.16406	8.9
215.17932	11.2
217.15953	5.8
217.19475	6.2
219.17372	7.9
229.19524	7.7
231.17479	7.3
231.21027	13.3
235.16992	18.3
241.19608	4.5
243.20999	5.8
245.22688	8.9
269.22592	7.2
405.35135	74.9
406.35196	6.4
423.36203	52.0
424.36548	4.5
428.22223	4.2
441.37329	89.7
442.37561	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	441.3726
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03937	2.4
53.22526	1.3
55.01861	1.6
55.05509	11.2
57.07065	8.2
65.03936	1.6
67.05499	27.5
69.03418	2.1
69.07061	26.0
71.04996	3.1
71.08643	1.9
72.08120	1.5
79.05485	19.5
81.03371	1.2
81.07051	67.3
83.04967	2.7
83.08616	10.8
85.02893	1.6
85.06545	2.6
91.05470	17.3
93.07034	47.3
95.04971	4.8
95.08598	100.0
97.06528	22.0
97.10173	8.4
99.08079	1.4
105.07023	48.7
107.04940	1.5
107.08585	70.8
109.06528	5.3
109.10147	59.9
110.02400	3.0
111.04450	1.6
111.08070	9.5
111.11706	2.0
113.09673	1.5
117.07016	5.4
119.08572	61.9
121.10135	62.7
123.04451	1.9
123.08070	4.0
123.11697	26.4
124.12029	1.2
125.09647	3.3
125.13244	1.2
127.11111	1.4
131.08546	19.2
133.06540	1.5
133.10120	49.5
135.08104	3.1
135.11679	50.4
137.09628	4.7
137.13242	13.0
139.11169	1.6
142.07861	1.6
143.08537	6.1
144.09361	3.6
145.10118	33.6
147.11678	37.2
147.12762	2.8
149.09627	2.2
149.13243	26.5
151.07584	7.0
151.11188	4.9
151.14844	3.8
156.09399	1.7
157.10101	9.0
158.10985	1.8
159.08154	1.3
159.11685	38.2
161.13243	35.6
163.11166	2.4
163.14810	18.2
165.09123	13.9
165.12796	2.4
167.07101	4.5
169.10071	2.3
170.55794	1.2
171.11685	8.4
172.12454	2.9
173.13257	24.8
175.11310	1.8
175.14796	27.2
175.16219	1.7
177.12831	1.7
177.16370	20.8
179.14294	8.4
183.11726	3.6
185.13255	6.4
186.13887	1.5
187.14807	18.4
189.16373	27.5
191.10623	2.2
191.14354	4.3
191.17928	62.7
193.15868	11.6
197.13278	3.1
199.14854	5.9
201.16338	16.7
203.14375	1.7
203.17931	28.7
203.19681	2.0
205.12376	2.7
205.15854	42.8
205.19438	10.9
207.17422	21.9
213.16370	7.7
215.17943	29.9
215.19853	2.1
217.12418	1.5
217.15903	3.0
217.19397	7.0
219.17456	13.1
219.21007	1.6
221.19028	9.6
225.16405	2.4
227.18013	5.9
229.19519	9.1
231.17532	4.5
231.21194	4.2
233.18956	22.4
241.19583	3.7
243.21066	6.2
245.18906	6.5
245.22827	2.6
247.20706	2.0
249.18553	4.7
255.21107	3.2
257.22723	2.7
259.20425	2.3
261.22342	2.4
269.22607	2.4
273.22083	8.0
283.24176	1.6
285.22269	4.4
287.23569	2.6
297.25922	2.3
310.46475	1.5
313.25601	1.8
363.30923	1.4
365.32178	5.1
390.95688	1.5
395.32816	2.0
405.26147	1.5
405.35223	5.4
411.36295	1.7
423.36221	51.6
424.36890	2.1
441.37396	44.2
442.37897	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	441.3721
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
54.82466	0.5
55.05500	2.4
57.02932	0.5
57.07066	0.9
67.05518	2.8
69.03422	0.6
69.07066	5.3
71.55006	1.1
79.05489	1.0
81.07049	7.3
83.04964	1.2
83.08615	1.6
91.05483	1.7
93.07040	5.1
95.04977	0.8
95.08603	14.9
97.06508	0.7
97.10162	1.4
99.08090	7.5
105.07034	3.2
107.08591	8.6
109.06483	0.9
109.10149	8.7
111.11701	1.9
117.09106	0.8
119.08575	4.8
121.06459	0.8
121.10139	8.1
123.08053	1.4
123.11710	4.8
125.09669	1.0
131.08554	1.3
133.10100	4.5
135.08083	3.2
135.11682	6.3
137.13214	3.9
143.08540	0.6
145.10123	1.9
147.11714	3.2
149.09598	7.5
149.13278	3.2
151.11128	1.1
154.73346	0.5
159.11705	2.7
161.13246	2.4
163.11182	0.8
163.14879	1.8
169.12236	1.3
171.11626	1.1
173.13271	1.8
175.11276	0.7
175.14809	2.8
177.16396	2.1
185.13216	1.1
187.14828	2.2
189.16341	2.8
191.17961	1.1
193.15906	0.6
203.14337	0.6
203.17911	0.9
205.15953	0.9
205.19609	0.9
207.17294	0.8
213.16635	0.6
215.17848	1.5
217.19543	0.8
223.16890	1.7
229.19579	1.5
231.21118	1.6
233.19014	2.1
235.16928	1.8
237.18297	0.6
243.21173	1.1
245.22659	1.7
269.22610	1.0
287.23724	3.5
303.22949	0.5
325.28903	5.9
354.34573	0.6
423.36270	2.0
441.37256	100.0
442.37738	4.9
461.01501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3724
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03951	2.0
55.05503	14.6
57.07070	7.7
59.12474	1.1
59.27262	1.2
65.03922	1.5
67.05495	22.8
68.89917	1.1
69.06709	2.3
69.07060	23.8
69.69724	2.6
69.70129	8.4
71.04989	2.1
77.03941	1.3
79.05486	13.7
80.42880	1.5
81.06568	3.0
81.07049	61.8
83.08615	13.6
85.06540	2.9
86.80474	1.3
88.18345	1.2
91.05463	15.5
93.07032	43.0
95.04972	4.5
95.08599	100.0
97.06521	20.7
97.10158	8.5
98.20769	2.3
99.08090	1.5
105.07021	46.1
107.08586	64.4
109.06535	6.3
109.10147	55.1
111.08045	8.7
111.11735	3.2
117.07023	5.8
119.08572	50.2
120.08909	2.3
120.84227	1.4
121.10138	48.4
123.08042	3.9
123.11693	30.7
125.09644	3.5
127.03967	1.6
129.07002	2.9
131.08557	13.8
133.10121	44.4
135.11684	47.9
137.09651	1.9
137.13217	13.5
143.08559	5.2
145.10120	29.5
147.11668	32.8
147.12756	2.5
149.09616	2.9
149.13260	27.3
151.07562	4.3
151.11206	4.9
151.14775	2.0
153.12698	1.6
155.08643	1.8
157.10062	7.5
158.10808	2.0
159.11684	35.7
161.13242	29.2
163.14819	16.7
165.09122	4.3
165.12752	2.9
167.07079	4.8
169.10057	1.7
171.11708	5.3
172.12489	2.5
173.13248	19.8
175.14807	23.0
177.16377	22.7
177.17792	1.8
179.14284	8.1
183.11719	2.1
185.13298	5.3
186.14008	1.9
187.14783	17.0
187.16194	1.4
189.16364	23.6
190.02594	1.2
191.14366	4.0
191.17931	60.2
193.15863	12.1
199.14798	7.2
201.16353	15.8
203.17943	28.1
205.15848	39.0
205.19495	8.1
206.16240	1.5
207.17464	18.0
211.14919	1.7
213.16315	7.1
215.17953	25.5
215.19881	1.8
215.93242	1.4
217.15933	2.5
217.19531	9.3
219.17461	11.2
219.21173	2.2
221.18983	10.5
227.17966	5.0
229.19469	6.4
231.17461	4.7
231.21037	2.8
233.18982	23.4
241.19371	1.7
243.17795	1.2
243.18900	1.9
243.20917	7.6
245.19000	6.0
245.22733	1.6
247.20699	2.9
249.18512	4.1
255.21075	2.6
257.22699	2.5
259.20630	2.1
261.22159	3.0
263.20108	1.7
269.22656	3.2
271.24152	1.7
273.22134	7.6
285.22125	3.8
287.23669	2.8
297.25769	1.7
349.10587	1.9
365.32068	5.2
405.35458	5.2
411.36288	1.7
423.14764	1.5
423.36182	51.7
441.15582	1.6
441.37344	44.3
442.37445	1.8
446.58334	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	441.3361
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
54.57415	0.9
55.05507	5.4
57.07064	1.2
57.10295	1.1
67.05501	6.8
69.07066	8.1
71.04971	1.4
71.38560	1.8
79.05474	4.4
81.07056	14.4
83.04970	1.9
83.08606	3.8
91.05477	6.3
93.07039	17.1
95.04974	1.4
95.08601	31.5
96.52882	1.0
97.06509	2.0
97.10152	2.5
99.08080	1.5
105.07021	10.1
107.08585	20.6
109.06493	2.2
109.10147	16.7
110.47405	1.0
111.08071	2.7
111.11686	1.7
119.08585	20.0
119.09433	1.4
121.10131	17.3
121.10916	1.7
123.08074	2.6
123.11683	6.4
125.94337	1.0
131.08572	5.4
133.10133	20.1
135.08034	1.5
135.11688	17.3
137.09634	1.8
137.13251	3.6
143.08557	5.7
145.10117	9.3
147.08025	1.6
147.11679	13.4
149.09564	1.5
149.13232	7.0
157.10118	7.2
159.11650	7.1
161.09619	4.1
161.13202	6.7
163.11194	1.1
163.14832	4.6
165.09081	1.1
165.12811	1.4
169.10036	1.3
171.11649	4.3
173.13231	4.9
175.11201	2.4
175.14824	6.7
177.12753	1.4
177.16394	2.0
183.11716	2.2
185.13258	2.9
187.11230	1.3
187.14786	6.3
189.16367	22.7
191.10680	1.2
191.17944	8.6
197.13237	1.6
199.14812	12.7
201.12779	1.4
201.16382	6.1
203.14294	1.8
203.17957	2.5
205.15834	2.5
207.17357	9.7
209.13234	1.2
213.16385	3.5
215.14296	4.5
215.17868	2.5
215.63449	1.1
217.15863	68.2
219.13855	1.1
219.17393	10.0
221.15323	3.3
227.17880	2.2
229.19589	1.6
231.17403	7.8
233.15312	4.3
233.19098	2.1
235.16985	2.5
239.17938	1.7
241.19312	1.3
243.17459	1.8
245.18852	1.1
251.20096	1.2
253.78847	1.2
255.17319	1.7
255.21056	1.6
271.20367	1.2
387.30469	1.8
405.31390	13.2
423.31888	11.7
423.37061	2.7
441.32867	100.0
441.38086	15.6
442.33429	2.4
445.78595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03939	2.0
55.05504	15.5
55.84881	1.6
57.03426	1.6
57.07066	7.3
65.03951	3.4
66.63002	1.7
67.05164	2.0
67.05503	27.1
69.03397	2.3
69.07068	26.9
70.98089	3.5
70.98435	2.4
71.04988	3.6
72.08119	2.3
79.05495	20.8
81.03385	2.5
81.07053	63.0
83.04995	3.3
83.08614	13.1
85.02885	2.6
85.06534	3.6
91.05467	21.3
93.07040	51.9
93.35378	1.7
95.04949	4.1
95.08603	100.0
97.02894	1.7
97.06539	18.1
97.10165	8.1
98.36333	1.9
99.04497	2.0
105.07030	54.1
105.07754	2.7
107.08587	71.9
108.08908	1.9
109.06509	5.9
109.10153	61.9
110.02383	2.9
111.08080	10.3
111.11720	3.2
117.07025	7.1
119.08575	62.3
121.06535	2.8
121.10139	57.7
123.08057	6.2
123.11709	27.5
125.05891	2.0
125.09642	3.5
127.03882	3.5
128.06155	2.0
129.07025	3.4
131.08569	19.5
133.10118	47.7
135.08041	2.3
135.11685	41.0
137.09621	6.1
137.13245	12.9
139.11191	3.5
143.08553	6.6
145.05038	1.7
145.10115	38.0
147.04417	4.5
147.11676	38.6
148.12003	2.4
149.05995	2.5
149.09535	2.1
149.13254	26.5
151.07533	14.1
151.11166	6.2
151.14784	2.4
157.10149	8.4
158.10889	2.5
159.11693	39.0
161.13254	35.8
163.07501	2.0
163.11208	2.6
163.14799	18.5
165.09094	13.2
165.12761	4.2
167.07034	16.2
171.11673	7.4
173.13260	19.1
175.11230	1.6
175.13461	2.5
175.14828	26.3
177.05429	2.6
177.12819	2.6
177.16386	23.1
179.14276	9.3
183.11620	2.4
185.13271	5.3
186.14160	2.0
187.11324	1.9
187.14824	20.3
189.16345	27.9
191.10631	4.1
191.14297	5.3
191.17940	59.9
193.15865	12.4
197.13293	2.9
199.14810	7.8
201.16364	14.1
203.14214	1.6
203.17941	32.0
205.12354	3.1
205.15866	41.9
205.19458	10.0
206.16165	2.1
207.17461	22.6
211.14798	2.2
213.16356	8.0
215.17981	31.0
217.15852	3.5
217.19519	9.2
219.17395	13.0
219.21028	2.4
221.18983	12.7
227.17906	4.7
229.19505	7.1
231.17421	5.5
231.21033	2.9
233.18985	27.3
235.16974	2.5
241.19475	3.5
243.21063	3.5
245.19044	4.8
247.20560	3.6
249.18481	2.2
255.21080	4.2
257.22586	2.5
261.22092	2.8
267.21033	2.7
269.22583	3.5
273.22119	7.7
283.05957	8.0
287.23691	2.9
325.07300	2.8
329.28662	1.9
339.12329	7.6
354.73148	1.8
365.31967	6.0
381.14502	1.6
405.35242	8.3
409.14557	6.3
421.11008	1.8
423.36200	46.0
424.36511	2.6
441.15872	2.3
441.37369	45.7
442.37854	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	441.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42613	1.2
51.74455	1.1
53.20039	1.2
55.01839	1.8
55.05505	12.5
57.03421	4.1
57.89500	1.1
59.04991	1.5
61.02915	2.7
61.63617	1.1
63.13224	1.2
67.05494	2.0
67.88024	1.1
69.03423	9.2
69.07063	100.0
70.06582	8.4
70.07404	1.3
71.04990	1.9
71.62119	1.5
71.62522	1.9
72.08151	17.6
73.02906	8.4
81.03401	3.0
82.02935	1.5
83.04972	2.0
84.04466	1.2
84.08151	6.0
85.02895	24.5
86.09681	4.2
87.04465	1.8
89.10795	1.1
91.05475	4.0
93.07021	1.6
95.08589	1.7
97.02889	14.5
97.07642	2.9
98.06025	3.1
98.09668	3.5
99.04434	2.8
103.03900	1.8
105.07023	2.2
107.04917	2.2
109.02866	2.4
110.02393	52.9
110.09638	1.3
111.04414	1.4
111.11711	42.4
114.10320	2.4
115.03911	5.1
115.08685	2.4
117.03371	1.6
119.04916	3.9
121.06535	1.4
122.05961	1.6
123.08095	1.4
124.07565	1.8
126.09203	2.0
127.03906	17.7
129.12747	62.6
130.13077	1.6
133.04950	4.4
133.10109	1.4
137.05978	1.4
138.05527	1.4
143.14583	1.1
145.02831	3.5
145.04945	5.7
145.06361	2.1
147.04416	15.4
147.13795	17.9
148.04768	1.4
149.09575	1.4
152.07060	25.1
152.71445	1.2
163.03934	1.6
165.64897	2.0
169.09721	21.5
177.05490	5.5
177.69833	1.6
193.04956	1.7
194.09227	4.3
202.12299	2.4
218.11818	6.7
223.06055	1.4
233.32649	1.4
235.14503	1.9
238.66980	1.3
240.09248	5.8
244.09485	1.5
251.07091	1.6
261.15985	7.9
270.26053	1.2
279.13412	4.0
279.17032	11.1
289.15527	1.7
301.80508	1.6
424.17249	1.8
441.10846	3.0
441.20996	25.2
442.21661	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	441.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
55.05510	9.6
57.03432	2.6
57.07066	4.1
61.00157	0.9
67.05498	13.0
67.44947	0.8
69.07064	17.7
70.03028	5.2
71.04993	1.5
71.08625	9.4
79.05481	6.9
81.07052	19.3
83.04989	2.5
83.08617	7.5
85.06548	2.7
91.05475	6.8
93.07029	12.4
95.04968	1.8
95.08604	23.6
97.06536	3.9
97.10148	2.7
99.08078	7.5
105.07020	9.2
107.08588	15.8
109.06516	8.0
109.09433	1.6
109.10136	13.9
111.04452	1.2
111.08063	3.1
117.07030	1.9
119.08579	14.6
121.06510	2.9
121.10120	12.0
123.04443	2.1
123.08056	25.6
123.11696	5.5
125.05991	1.6
131.08586	4.7
133.10115	13.2
135.08063	7.0
135.11681	9.8
137.09633	2.7
137.13239	2.1
139.07603	1.3
143.08543	1.5
145.10146	7.5
147.11691	7.0
149.09622	4.1
149.13243	4.5
151.03918	1.0
151.07530	1.3
151.11212	1.9
151.14825	1.4
153.12706	4.7
157.10149	2.0
159.11705	6.0
161.09648	1.7
161.13228	5.3
163.11172	1.7
163.14842	2.9
165.09151	1.1
165.12755	2.0
167.07066	1.4
167.14371	1.7
169.10080	1.2
171.11662	1.2
173.09653	1.0
173.13264	4.2
175.14819	4.0
177.12775	2.4
177.16397	2.4
179.14296	36.0
180.14487	0.9
184.07306	1.5
187.14853	1.7
189.16414	4.1
191.14340	4.0
191.18015	1.7
193.15955	1.7
197.13210	1.5
199.14912	1.5
201.12683	1.5
201.16324	2.1
203.17969	1.5
205.15860	2.1
207.17451	1.7
215.17967	2.8
217.15802	1.5
219.17363	1.2
229.19722	1.2
233.19055	1.6
251.20107	7.7
275.20087	1.1
293.21033	7.3
293.28314	1.5
303.26828	10.1
310.04755	1.9
313.25409	1.0
321.28015	1.9
325.07004	7.7
331.26297	37.1
332.26730	1.6
347.27286	0.9
349.27362	43.6
350.27737	1.9
363.11353	1.0
367.11905	1.8
381.12454	2.7
395.29202	1.2
405.30182	6.1
423.17673	3.2
423.31036	100.0
424.31372	3.7
441.18088	2.7
441.34070	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	441.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.5
53.03931	0.5
55.01857	1.2
55.02990	2.6
55.05502	4.2
56.96572	0.5
57.03422	0.9
58.06594	1.1
60.05634	2.7
65.03952	0.6
67.05486	0.6
69.03419	1.9
69.07056	1.3
70.02948	0.9
70.06591	6.0
71.04984	1.3
71.62222	1.0
72.08150	28.7
74.09518	0.5
79.05493	0.6
80.01366	1.1
81.03398	0.7
82.02955	2.4
83.04969	0.7
84.08131	2.5
85.02901	3.3
86.09704	4.8
89.10776	1.2
91.05465	4.7
95.04970	1.0
95.08586	0.7
97.02888	1.8
97.06635	0.6
97.07648	17.4
98.02412	4.5
98.06047	2.9
98.09694	2.2
99.00842	2.3
99.04443	0.8
105.07001	0.7
107.04939	3.7
107.08542	0.6
109.02849	1.0
110.02395	79.9
111.02733	1.0
114.10284	9.5
114.12815	2.5
115.08669	2.5
116.03461	0.5
116.07108	0.7
117.07022	1.0
117.71053	0.4
119.04939	8.3
121.02866	0.5
121.10136	0.6
122.02384	0.7
124.07589	1.6
125.07155	0.5
127.03912	2.8
128.03426	1.9
129.10239	0.6
131.04947	0.9
131.08525	0.5
131.12927	4.0
132.08034	0.6
137.05959	0.7
138.05501	0.5
140.03378	0.5
140.08191	0.6
145.02812	1.1
145.06471	1.9
146.05984	0.6
146.11705	0.6
147.04396	29.0
148.04735	1.2
149.06030	0.7
151.08635	0.8
152.07056	63.0
153.07471	1.2
159.09187	0.9
161.05966	1.0
163.03935	1.1
164.34511	0.5
166.09813	1.2
167.07039	0.6
169.09714	21.8
170.08156	5.0
173.05995	1.5
175.05959	0.6
177.05464	2.1
181.06493	0.7
181.53362	0.5
183.15063	0.5
185.09221	0.7
193.05006	0.6
194.09239	24.2
195.07889	0.6
196.06070	0.7
201.00830	0.6
207.06581	0.8
209.09607	0.9
211.11880	0.6
211.14555	0.5
212.08330	2.5
212.10284	1.0
213.09048	3.4
216.09877	0.5
217.13417	1.0
218.11765	2.3
219.08130	0.7
223.07513	1.3
231.11197	0.7
233.08022	0.5
235.14445	0.7
237.02882	0.5
237.09114	2.3
240.12627	0.6
241.08620	0.6
247.07680	0.6
253.00183	0.9
258.08850	0.6
260.13831	1.0
261.12329	0.6
265.08533	2.4
267.09824	0.6
273.03671	0.5
273.11224	0.9
277.16583	1.7
279.08707	1.0
279.13434	1.9
292.09613	1.0
293.07904	2.3
326.17139	1.3
328.48239	0.5
364.15448	1.6
393.94849	0.5
406.17627	0.8
424.18124	2.6
441.21161	100.0
442.21457	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	441.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.4
53.03952	0.4
55.02990	3.4
55.05497	3.5
58.06593	0.5
60.05637	2.1
67.05505	0.8
68.05023	0.7
69.03421	0.7
69.07073	0.8
70.02969	0.7
70.06586	2.5
71.04990	0.7
71.62865	0.5
72.08150	21.2
73.83856	0.4
79.04112	0.3
79.05479	0.4
81.03426	0.6
82.02943	1.4
83.01330	0.4
84.04518	0.4
84.08142	3.7
85.02901	1.6
86.09701	1.5
91.05479	4.1
92.41078	0.3
92.96999	0.3
95.04967	0.5
95.08566	0.3
96.61685	0.4
97.02882	0.6
97.07647	18.4
98.02400	3.2
98.06053	2.7
98.09689	0.5
99.00806	3.0
107.04950	4.1
109.02893	0.6
109.10167	0.6
110.02396	44.3
111.02745	0.7
114.10286	9.0
114.12813	1.0
115.08698	2.3
116.03428	1.0
119.04928	6.3
123.04423	0.5
124.07627	0.8
127.12328	1.2
128.03412	2.0
131.12909	2.2
135.04279	0.6
140.08180	1.4
145.06490	1.3
147.04401	18.9
151.08730	0.8
152.07060	46.4
153.07451	1.2
159.34012	0.4
166.09758	1.3
169.09738	6.5
170.08119	6.2
170.09695	0.6
173.06046	0.9
174.05634	0.4
177.05487	0.7
179.03412	0.7
187.03981	0.5
188.42188	0.4
191.08545	0.4
194.09239	30.8
195.07915	0.8
195.09624	0.7
209.09636	0.6
211.07574	0.5
211.12010	0.7
212.08351	4.6
212.10234	0.7
213.09117	1.6
217.13373	1.4
218.11792	1.7
219.08159	0.7
223.07553	1.2
225.09288	0.5
237.09088	3.7
247.07607	0.8
260.13922	1.0
265.08597	2.3
277.16568	2.6
279.13544	0.8
279.16852	0.7
292.09711	1.5
292.13123	0.3
293.08090	3.2
363.16827	0.7
364.15512	1.2
379.13370	0.4
381.11630	0.4
406.17636	2.1
424.18509	1.2
441.14029	5.1
441.21265	100.0
442.21533	7.6
446.82129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76099	0.9
53.03931	1.6
55.01865	2.9
55.05502	4.6
55.36377	1.0
57.03428	1.7
57.07064	2.0
61.02911	1.6
65.02682	0.9
67.05505	6.6
67.78331	0.9
68.99767	1.6
69.03421	11.4
69.07055	9.7
70.06590	2.0
70.98441	1.4
70.98785	2.2
71.04974	1.8
72.08142	4.3
73.02909	1.5
74.35574	0.9
79.05486	5.5
81.03404	6.7
81.07064	7.6
81.81268	0.9
83.04969	0.9
83.08609	4.0
85.02410	1.8
85.02895	20.3
85.06524	4.4
87.00817	6.4
87.04498	1.3
91.05465	7.7
93.07033	10.2
94.06529	1.0
95.04983	1.7
95.08598	18.2
97.02882	12.1
97.06540	1.8
97.30682	0.9
99.04474	2.3
99.08080	1.3
102.11342	1.1
103.03936	1.5
105.01858	7.5
105.07020	13.2
107.04945	2.2
107.08586	19.3
109.02865	6.0
109.06496	3.3
109.10149	10.9
110.02419	3.7
111.08083	3.7
114.97213	1.1
115.03925	1.5
115.05453	1.5
117.01900	1.1
117.06993	1.6
119.04955	1.1
119.08575	35.4
121.06520	1.5
121.10134	23.4
123.04425	1.3
123.08055	3.2
123.11725	2.9
125.02375	4.2
125.09610	1.7
127.03928	8.9
129.01825	1.3
131.08559	3.5
133.06523	1.8
133.10124	34.3
134.10826	1.2
135.08044	1.7
135.11728	5.8
137.05923	2.3
137.09619	2.9
145.04976	4.4
145.06451	1.1
145.10107	9.4
147.02939	1.3
147.04353	5.7
147.08058	1.1
147.11678	9.4
149.09622	1.8
149.13252	4.8
151.07515	7.5
152.07076	1.6
157.10097	1.4
159.02907	2.9
159.11649	5.2
161.13206	7.2
163.14851	1.6
165.09055	1.5
167.07043	3.5
169.09793	1.9
173.09641	1.4
173.13269	4.1
175.08667	4.1
175.14818	100.0
176.15207	2.8
177.05548	2.0
177.16353	26.1
185.13196	1.5
187.14827	7.7
189.16435	1.5
191.10658	2.2
193.08572	2.9
193.15863	8.6
199.14897	1.7
201.16405	1.2
205.12280	1.4
205.15887	19.9
217.15880	1.1
219.09868	1.1
229.03296	1.4
229.16008	1.3
231.04893	5.6
232.93646	1.1
247.04512	1.4
253.02580	1.1
283.16928	2.7
301.18030	1.4
324.05869	1.0
339.08557	3.0
357.09683	2.9
369.41183	1.1
405.19327	2.1
423.20145	2.1
441.15256	1.6
441.20447	7.4
441.29947	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
54.41780	1.0
55.01890	1.1
55.05502	2.5
56.96543	1.1
57.03431	2.8
60.05630	1.2
61.02942	1.2
69.03424	7.0
70.06585	6.3
71.04990	3.0
71.62183	1.8
71.88217	1.0
72.08149	19.1
72.91080	1.0
73.02909	1.0
81.03403	3.7
83.35098	1.0
84.08138	1.9
85.02887	6.4
86.06056	1.2
86.09695	1.6
89.10780	1.9
91.05459	4.4
93.07051	1.0
95.08601	1.3
96.04427	1.1
97.02866	2.1
97.07651	4.3
98.02424	3.0
98.06043	4.2
98.09705	1.2
98.97581	1.7
99.04449	7.1
103.03938	2.2
107.04930	1.5
109.02907	1.5
109.92570	0.9
110.02393	15.2
114.10287	5.7
115.08691	4.3
116.07141	1.0
116.98581	1.2
117.05444	2.8
119.04939	13.6
120.05273	4.5
121.06528	1.2
127.03911	5.7
130.06497	1.0
133.07600	10.9
137.05983	1.1
141.60068	1.0
145.02829	2.4
145.06526	2.1
145.07596	19.4
147.04398	76.3
147.09174	1.6
147.26202	1.0
148.04736	38.8
152.07059	13.4
152.08134	1.8
159.09222	2.4
163.03854	2.2
163.08667	41.0
169.09750	3.9
170.08110	1.6
176.07141	1.2
177.05515	5.9
185.10721	1.1
187.08788	1.2
194.09183	5.0
205.09744	3.1
218.11713	2.8
219.11435	2.1
235.14395	3.2
237.57220	0.9
243.11316	1.1
247.13229	1.0
251.13834	1.4
261.12350	14.5
262.12659	21.0
277.16403	1.1
279.13174	11.7
279.15637	1.5
291.78235	1.1
297.14450	4.3
321.14462	3.2
339.15558	2.1
361.17520	4.3
363.15536	2.3
379.18680	6.8
381.16602	10.5
405.16418	5.0
423.17593	12.3
424.17883	3.0
441.18222	100.0
442.18475	3.6
467.10989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2014
Annotation	Ibrutinib
Peak:m/z	Relative Intensity
53.00288	0.3
54.55646	0.2
55.01861	0.9
55.05507	1.6
56.01368	0.3
56.96548	0.2
59.84378	0.2
66.24635	0.2
69.44511	1.7
70.06574	1.1
71.05002	0.3
72.07738	0.3
72.08146	6.6
74.06109	0.2
80.01382	1.2
81.03406	0.3
82.02936	3.9
83.19476	0.2
84.08137	0.4
85.02887	0.4
86.09676	0.4
86.13371	0.2
91.05460	1.8
96.08195	0.2
97.02815	0.2
97.07642	0.7
97.08219	0.2
98.02403	2.7
98.06046	0.5
98.97558	0.2
99.04446	0.2
106.61014	0.2
107.04945	1.2
110.02393	100.0
111.02750	0.9
114.10265	0.7
115.08695	0.7
117.06988	0.5
119.04932	2.3
120.05690	0.2
121.02875	0.3
127.03876	0.5
131.12881	0.4
132.91582	0.2
133.06537	0.3
145.06425	1.3
147.04391	6.0
152.07053	46.3
153.07321	0.3
164.07028	0.2
167.07076	0.4
169.09711	39.9
170.09961	0.2
173.05975	1.2
175.03882	0.9
177.05453	0.3
178.83345	0.2
181.06471	0.9
181.31660	0.2
183.08102	0.3
194.09227	0.8
195.08080	0.5
197.05969	0.4
202.12286	0.3
205.08540	0.6
207.06485	1.4
207.08147	0.2
211.07408	0.2
212.08348	0.3
213.09068	1.3
217.08577	0.5
218.11778	0.7
219.08131	0.2
223.07552	0.3
225.05440	0.2
226.06252	0.3
231.06508	0.2
235.07428	0.2
235.14423	0.6
237.09125	0.4
241.08537	1.3
247.07816	0.2
247.13315	0.2
258.08884	1.1
261.07596	0.2
265.08347	0.4
273.11185	2.3
277.16577	0.3
297.11142	0.3
325.10666	0.5
326.13443	0.2
330.13135	0.5
370.12564	0.3
375.01572	0.2
378.15042	0.2
396.17291	0.2
423.19110	0.4
424.17529	2.7
441.20239	36.6
442.20438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01857	4.5
55.05515	3.7
57.03416	2.9
63.16646	1.4
64.80953	1.4
67.05486	5.7
68.99791	2.9
69.03436	9.1
69.07060	4.0
69.65089	7.5
69.65520	4.1
71.04996	3.1
73.02908	1.7
78.04700	1.5
79.05494	8.5
81.03416	14.0
81.07060	12.3
83.04979	2.2
83.08611	2.8
85.02903	19.6
87.00822	8.6
91.05479	10.7
92.04647	1.6
93.07033	5.8
95.04948	5.3
95.08606	15.1
96.08933	1.9
97.02895	9.6
97.06517	1.4
99.04453	5.6
103.05474	6.6
105.01857	3.8
105.07022	44.4
107.04917	3.1
107.08592	7.8
109.02869	7.1
109.10126	6.1
110.10468	2.4
111.04428	6.1
115.03895	1.7
115.05444	13.3
117.07003	11.5
118.04145	3.0
119.04951	2.2
119.08587	8.9
121.06489	5.6
121.10124	6.4
123.04429	4.1
123.11697	3.0
124.05199	1.6
127.03907	15.0
128.06210	2.9
129.06989	4.0
131.04895	5.6
131.08563	3.1
132.05678	2.0
133.06496	38.3
133.10103	4.7
135.08026	2.5
135.11697	5.2
137.05948	2.7
141.07037	3.4
143.05974	2.8
143.08398	1.4
144.05739	2.4
145.04906	2.7
145.06477	15.0
145.10039	2.5
146.03566	2.2
146.10388	1.8
147.04390	4.5
147.08026	4.6
147.11670	4.5
149.05937	4.6
149.13269	3.3
151.07576	8.4
152.04741	1.6
153.06985	2.5
156.05739	1.9
157.06430	2.4
157.10149	2.1
159.02895	3.8
159.07973	3.2
159.11662	2.7
160.05167	3.5
161.05975	40.7
161.13222	3.5
163.07494	3.3
165.06969	2.3
165.09116	7.2
167.07042	61.4
169.06561	2.0
171.02902	2.7
171.08032	3.5
173.05977	11.9
173.13242	2.1
175.07538	9.3
175.14839	2.1
177.05479	4.5
177.12634	2.2
177.16298	2.0
178.06218	6.9
179.07063	3.3
181.06398	2.4
181.08603	19.8
183.04361	1.7
183.08006	2.5
185.05972	2.5
187.07509	4.2
189.05482	4.6
189.09145	2.0
189.16362	2.9
190.06218	3.6
191.07010	7.6
191.10684	2.4
191.17960	3.3
192.07726	3.5
192.18150	1.9
193.08600	100.0
195.06473	3.2
195.08054	1.8
198.06781	2.0
199.07541	6.8
201.05472	2.2
201.16452	2.0
203.07005	6.2
204.18297	3.1
205.08595	23.9
206.05656	2.7
207.06505	4.1
207.10184	10.3
209.06183	2.6
209.08046	9.8
210.08948	1.6
211.09601	2.9
213.09119	3.9
215.07039	4.6
215.17924	2.1
217.08511	4.1
219.06523	2.0
219.10179	3.9
221.08069	16.3
223.07674	2.1
223.09569	9.2
226.06210	2.5
227.07092	2.7
229.08572	2.9
231.10170	4.2
233.08110	8.1
235.09656	9.2
237.07629	2.3
239.09143	9.1
241.08571	4.9
243.06442	2.0
243.10094	2.0
245.11711	2.9
247.09613	4.1
251.09142	12.7
257.08044	2.8
259.09641	6.6
263.09122	2.0
269.07999	4.4
271.09518	3.4
273.11087	5.6
275.09213	3.6
279.08630	4.3
289.10666	3.4
291.12210	2.5
293.10190	2.2
301.10696	14.5
319.11734	25.9
323.05420	1.8
336.94983	1.7
337.12720	7.1
405.11877	4.5
422.34875	2.1
423.12891	6.5
428.74286	1.5
432.03284	1.9
440.35916	4.2
441.14386	9.7
441.32950	8.5
463.92969	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	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71292	0.7
56.96558	14.1
62.87469	0.7
63.91005	0.9
67.76403	1.0
69.03399	1.6
70.06585	1.1
71.62315	1.0
72.08147	6.7
80.39161	0.7
84.08112	0.8
84.96021	7.2
85.02886	2.7
89.10754	2.0
97.02889	1.0
98.06040	1.5
98.97570	74.2
102.97075	1.2
110.02380	8.9
110.97546	17.6
112.02921	0.8
112.99075	0.8
114.10265	1.7
115.08680	1.5
116.98602	47.1
119.01868	1.0
119.04911	2.2
124.99009	0.9
125.20412	0.7
127.00637	0.9
127.03806	1.0
128.98590	30.3
131.00139	2.1
134.99640	17.0
136.07498	0.8
137.02261	1.0
140.00198	1.3
140.98582	6.1
143.00145	12.0
144.98085	0.9
145.01724	1.3
145.02840	1.4
145.07518	0.7
146.99632	20.5
147.03340	1.2
147.04379	11.8
148.04735	3.1
149.01163	1.4
152.00211	1.0
152.07040	4.6
152.98558	2.2
153.00705	1.5
158.01160	1.2
158.99638	31.5
160.99924	1.2
161.01198	15.2
162.99091	1.0
163.08701	1.0
165.00671	2.3
169.09665	3.1
170.98145	1.2
170.99631	21.1
173.01152	3.7
177.00694	41.4
177.05453	2.6
179.02258	2.1
182.01147	0.8
182.99640	12.2
189.00697	33.9
191.02257	1.5
194.99663	1.0
195.01736	3.5
200.02271	1.5
201.00681	54.7
203.02240	1.0
207.01743	8.5
212.02277	1.3
213.00659	4.8
218.11710	0.9
218.46300	0.7
219.01740	54.9
219.11327	0.8
224.02277	1.8
231.01775	7.3
235.14374	1.7
237.00400	1.7
237.02785	22.8
242.03345	1.3
243.01732	19.4
249.02678	1.6
255.03783	2.0
258.49976	0.7
260.04233	1.1
261.02792	100.0
262.03113	1.8
269.05505	1.0
273.02744	8.3
277.15515	0.9
279.03857	71.4
279.16803	2.3
280.04083	1.7
284.04221	1.2
291.03827	19.5
297.04846	4.7
302.05365	5.6
303.03708	1.7
307.08682	0.8
309.04932	3.5
321.04901	49.3
322.04926	1.0
325.04520	0.9
333.04861	8.3
351.05923	11.9
381.07022	5.0
399.08081	6.6
423.17456	0.8
441.09109	41.2
441.22580	9.3
442.09412	1.6
469.28156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01877	10.2
55.05501	13.2
57.03434	20.6
57.07050	4.6
59.04969	2.0
61.02672	1.7
61.02927	16.3
63.29889	1.7
67.05506	9.5
69.03422	32.3
69.07062	71.0
70.07411	1.7
71.01347	3.9
71.04967	2.2
71.58419	1.7
71.61691	3.0
72.08134	1.8
73.02911	89.4
79.05486	4.5
81.03421	8.6
81.07071	11.5
82.07386	2.5
83.04984	2.3
83.08604	3.6
85.02898	100.0
86.14999	1.8
87.04458	5.1
91.03934	4.9
91.05467	7.4
93.07031	7.2
95.04909	2.8
95.08599	15.7
96.08937	4.3
97.02885	62.4
97.10175	2.3
99.04436	4.9
100.11256	3.3
101.02369	2.3
103.03922	2.3
105.06999	11.4
106.07243	2.2
107.08572	8.0
108.08923	2.9
109.02862	10.8
109.10145	5.5
110.06962	1.7
110.10493	1.9
111.04455	3.1
111.11716	29.6
115.03923	33.0
119.08575	7.9
119.31075	1.7
120.08919	2.5
121.10161	9.2
122.10477	2.4
123.04357	3.4
123.11691	3.5
127.03906	35.2
131.08551	2.8
133.04953	34.4
133.10143	5.4
134.10405	2.0
135.11665	3.4
136.12077	2.3
137.05971	2.6
140.07062	2.6
143.08536	2.1
145.04941	52.4
145.10118	5.3
147.04399	2.3
147.11681	5.1
149.05962	2.0
149.13188	2.4
150.07559	2.9
159.11656	2.5
160.12082	2.6
161.13216	3.8
163.05965	17.2
165.09158	2.0
165.12752	2.6
167.07059	3.8
168.06509	3.6
173.06128	2.2
173.13228	3.5
174.13615	2.5
175.14778	2.6
177.16344	2.2
189.16403	2.8
193.04886	3.2
199.05875	2.3
203.17892	2.3
217.07086	2.3
223.05959	8.9
225.14757	2.5
232.17854	2.9
241.07062	7.2
243.15913	4.4
255.11301	3.5
259.08069	11.1
277.09164	3.4
295.10129	4.7
297.12158	2.0
315.13351	38.1
381.13101	1.9
396.23422	1.8
422.34958	4.9
440.23395	22.1
440.36163	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	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
54.57039	0.9
55.01863	7.0
55.05507	9.0
57.03434	19.2
57.07066	1.4
59.04996	1.8
61.02917	15.1
67.05499	3.7
69.03423	38.0
69.07063	63.0
69.35146	8.8
70.07394	0.7
71.01341	4.7
71.04990	2.2
73.02911	89.4
79.05492	2.0
81.03417	9.0
81.07047	3.8
83.04950	1.6
83.08575	0.9
85.02896	100.0
87.04468	4.1
91.03959	3.7
91.05476	2.1
93.07030	3.1
95.04965	1.2
95.08576	4.2
96.04494	1.1
97.02883	67.7
97.06539	2.4
98.20675	1.9
99.04433	5.0
102.08340	0.8
103.03950	4.8
105.07036	2.7
107.08576	2.4
109.02879	9.2
109.10133	2.0
111.04410	1.0
111.10918	1.2
111.11708	27.7
115.03918	30.5
119.08556	1.7
121.06507	0.9
121.10117	1.7
123.04440	1.4
123.11715	3.2
125.02293	1.1
126.17157	0.7
127.03905	34.1
131.08551	0.9
132.28804	0.9
133.04947	32.4
135.04434	0.9
135.11670	1.8
137.05923	1.2
145.04945	46.7
145.10173	1.3
147.04396	1.8
147.11693	1.7
150.07632	4.0
153.01854	1.1
153.05470	1.3
153.12721	1.2
159.11740	1.0
161.13191	1.0
162.07558	0.9
163.06006	23.7
165.12866	1.2
167.06973	0.8
193.04919	2.4
195.13774	1.1
199.06018	3.4
207.13893	2.2
217.07143	2.5
219.13599	0.9
223.05992	9.1
225.14903	2.6
237.14789	1.3
241.07042	10.7
243.15939	4.5
255.15729	1.2
259.08099	13.7
273.16873	1.1
277.09229	1.9
295.10114	4.8
411.24292	1.0
440.22992	1.4
440.35635	0.9
441.17148	1.3
452.08588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.83825	0.5
68.09333	0.5
69.82137	1.8
69.82552	0.8
71.48289	0.5
72.08140	1.7
78.04691	1.7
79.05487	2.7
81.03402	0.5
85.02898	0.8
86.40037	0.5
90.82223	0.5
91.05472	1.7
93.03416	0.5
95.04948	1.1
95.08617	0.5
98.21395	0.6
103.05468	3.3
105.07023	4.8
106.04156	0.8
107.04945	4.9
109.02880	0.6
110.02400	6.4
111.02729	1.9
115.05450	2.0
117.06970	0.8
121.06483	1.6
123.04417	5.2
124.05198	2.6
125.05991	0.8
126.69745	0.5
127.03903	1.2
129.06973	0.7
131.04927	5.3
131.08543	0.4
133.06471	4.4
135.08052	1.0
136.06201	1.3
137.05971	2.9
141.07014	0.7
144.05698	0.5
145.06435	2.2
147.04387	1.8
149.05978	0.6
149.07304	0.6
151.03888	1.3
151.07530	3.7
152.04654	2.0
152.07043	1.9
153.05466	0.7
153.07349	1.0
157.06508	0.6
158.07256	0.8
159.07996	1.6
161.05977	5.7
163.03873	0.8
163.07532	11.4
164.07936	0.5
165.09178	0.5
167.07024	100.0
168.07336	2.1
170.94258	0.4
172.05153	0.6
173.05992	1.3
173.09595	1.0
175.07549	2.1
176.68520	0.4
177.09131	2.6
179.07054	3.5
181.08589	3.7
187.07532	3.1
191.06880	0.5
192.07761	0.7
193.05009	0.8
193.08583	17.5
201.09044	2.0
205.08632	1.0
207.10068	1.1
219.10149	2.4
233.11766	2.7
235.07788	0.5
237.11276	2.2
251.12781	1.0
263.10767	1.0
291.10303	0.6
309.04065	0.7
323.12784	2.0
325.07278	0.5
328.74835	0.5
355.11218	1.0
355.15356	12.4
356.15649	0.6
387.18030	8.3
395.16806	1.3
405.19040	11.9
422.23923	0.7
423.16122	2.5
440.18961	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	440.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
58.06588	1.5
62.51316	1.1
67.05503	1.9
69.03413	3.5
69.07059	3.8
70.06579	2.1
71.04995	1.5
71.62178	1.2
71.62547	1.7
72.08142	5.9
73.02905	1.2
81.03407	5.8
81.07044	2.5
82.06589	1.5
83.04956	4.0
83.08625	1.2
84.08135	3.3
85.02898	3.7
85.04020	1.6
86.09702	16.1
91.05470	44.0
93.07030	3.2
95.04955	5.6
95.08617	1.8
97.02878	3.1
99.04468	1.0
103.05447	6.0
105.07016	4.4
106.06555	11.1
107.04942	8.2
107.08570	3.0
108.05257	1.2
108.08063	1.0
109.02913	5.2
109.06497	1.3
110.02399	13.8
110.04801	1.6
111.02719	2.0
111.04438	1.1
113.10796	3.1
117.06974	1.6
118.06532	86.2
119.04939	20.0
119.08591	2.0
120.08096	30.1
121.02845	1.2
121.06513	3.5
121.10135	1.5
123.04418	26.5
125.10738	1.3
127.03888	2.3
130.06514	4.8
131.30171	1.1
132.08073	2.6
133.06502	2.1
133.10130	1.3
135.08040	3.0
136.07562	60.0
137.02310	7.8
137.05991	2.0
141.10223	6.4
142.08713	1.6
143.08560	1.4
144.08028	1.7
145.06599	1.4
145.10103	1.6
146.06004	3.8
147.04399	17.4
147.09227	1.3
149.05946	2.1
151.07523	3.8
152.07050	6.8
153.07391	2.1
153.10197	7.9
159.11783	1.2
161.05891	1.8
163.07524	2.3
164.06981	1.1
165.05461	43.0
165.06851	2.1
166.05768	1.5
167.07040	3.4
169.09888	1.5
173.13174	1.2
175.08675	4.5
176.14308	1.5
177.05466	1.4
179.03401	2.3
181.04973	1.6
181.06497	3.0
182.08116	77.1
183.08371	3.2
186.12842	3.1
187.11250	1.6
188.09445	2.2
188.14337	9.2
193.04930	2.3
193.08583	1.9
195.08020	1.2
203.08066	2.1
203.15457	10.7
205.12221	1.9
207.08052	1.6
219.06560	1.3
219.76097	1.1
224.10680	11.7
224.48779	1.2
229.12126	2.0
231.14900	100.0
232.15242	4.7
247.13278	3.1
259.14395	52.0
260.14804	3.0
270.11215	64.0
271.11566	4.5
291.56528	1.4
322.94214	1.4
351.09845	1.4
358.12616	1.1
379.32312	1.3
387.98917	1.1
394.21243	6.7
423.16055	2.8
440.18661	15.5
440.28235	1.4
441.20511	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	440.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48504	1.8
52.64867	1.7
53.03941	3.3
55.01864	9.5
55.05497	4.5
57.03421	4.9
57.07070	8.6
59.04979	4.0
64.54135	1.8
65.54501	2.1
66.92725	1.8
67.05490	5.7
69.03414	11.6
69.07056	10.5
69.42285	11.7
69.42716	7.3
70.02940	6.3
70.06583	10.3
71.05001	3.6
72.04504	22.2
72.08154	27.9
73.02904	14.9
73.08493	2.6
74.02419	3.4
79.05489	2.6
81.03403	18.5
81.07059	2.0
83.04967	7.3
84.04497	2.6
84.08150	11.1
85.02903	20.8
85.06544	8.0
86.06064	3.5
86.09715	9.8
87.04458	4.8
87.08102	3.2
89.10775	2.3
90.05545	40.2
91.05460	4.3
95.04954	8.9
96.08128	3.6
97.02875	16.5
97.07619	4.6
98.02399	19.0
98.06027	4.8
98.09678	3.2
99.04427	4.7
100.03976	4.8
101.06018	3.4
103.07564	2.1
105.07029	2.8
107.04947	3.0
109.02869	26.8
110.02390	6.3
112.07585	2.4
113.05999	4.4
114.09183	1.9
114.10279	7.4
116.03442	18.5
116.98566	2.5
119.04949	11.6
124.07578	23.0
127.03913	21.3
128.00739	10.4
128.10750	2.5
131.07016	3.6
132.06554	8.6
133.06461	5.2
138.05507	3.2
142.08594	16.2
145.04939	8.5
145.06529	1.9
146.01810	13.5
147.03210	2.9
147.04391	61.0
148.04765	6.2
152.07077	9.1
155.07010	2.7
160.09674	3.7
161.05934	3.0
163.03876	4.8
164.04245	2.5
166.08662	3.5
167.07039	3.3
172.09659	4.8
174.11319	5.9
180.04129	2.2
181.05066	2.5
184.09685	30.6
193.08620	2.6
193.84613	1.9
194.09317	3.7
198.07678	4.3
199.06006	4.3
202.10741	100.0
211.09593	10.0
216.08751	2.2
217.07039	5.3
218.11778	6.6
220.11789	27.1
230.10162	15.2
234.09695	11.5
235.14563	2.9
236.14783	2.8
238.74643	2.1
257.10306	2.5
262.12830	23.0
290.15918	6.0
308.06979	9.4
310.12619	9.3
328.13882	76.9
346.14868	14.1
360.93967	2.1
364.15903	36.6
364.20291	3.2
369.39185	2.1
422.20319	3.8
440.23361	16.2
441.21216	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07167	0.9
55.05501	3.0
57.07070	1.4
67.05507	5.1
69.07058	4.7
70.04491	4.3
79.05492	3.7
81.07051	4.7
83.08585	1.2
85.02882	1.1
85.18473	1.0
91.05479	3.6
92.05784	1.0
93.03405	1.1
93.07031	6.9
95.08603	7.2
96.08965	1.0
97.10171	1.6
100.64924	1.1
103.05467	1.6
105.07030	4.2
106.07395	1.2
107.08595	5.7
108.08882	2.7
109.02895	2.8
109.10161	6.4
114.62851	1.0
116.98645	1.3
117.07017	2.8
118.07355	1.6
119.08578	3.9
120.08932	2.0
121.06485	1.1
121.10177	6.0
122.10519	1.2
123.04410	2.4
123.11699	2.0
124.12031	1.5
129.06963	1.3
131.04869	2.1
131.08592	1.9
131.53351	1.0
132.08971	1.0
133.10139	3.7
134.03651	1.1
135.04312	1.3
135.08058	4.1
135.11670	2.9
136.08380	2.6
137.02310	2.3
137.13292	1.5
138.02582	1.4
140.71909	1.1
145.10107	2.5
147.11685	2.4
148.12018	1.1
149.13225	1.7
151.03854	1.6
152.04254	1.2
157.06500	1.7
159.04436	4.5
159.11775	1.9
160.04747	2.8
161.13245	1.5
163.11127	1.2
163.14784	1.9
171.11710	1.3
173.13300	1.6
175.14813	1.6
176.15242	1.3
177.16425	1.6
187.07578	2.9
188.07831	2.8
189.01918	1.5
189.16342	2.3
190.05844	1.8
190.16704	1.3
191.17995	2.1
192.18356	1.6
195.02899	3.4
196.03308	2.5
203.07079	1.7
203.17926	2.8
204.07422	2.0
204.18219	2.6
213.05469	12.3
214.05772	17.7
231.06494	5.1
232.06995	5.9
247.08430	1.6
249.07622	2.4
250.07980	3.2
288.07663	1.0
294.04755	2.4
295.06018	2.2
296.06369	6.1
299.05826	1.4
300.05878	1.2
311.05505	17.3
312.05820	35.8
313.06519	1.1
320.09921	3.0
324.09537	2.7
330.08389	2.7
347.09125	4.7
348.09442	20.6
349.10406	1.2
350.07489	4.0
351.08231	2.0
352.12622	3.0
365.10175	19.8
366.10522	100.0
367.10965	4.2
367.18082	3.0
383.11115	8.9
384.11569	52.2
385.11908	1.4
386.64267	1.4
422.16919	6.8
422.34995	2.1
439.35617	4.6
440.17773	23.0
440.36301	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01869	2.8
55.05507	17.9
57.07066	4.4
58.76044	1.3
59.04984	2.9
64.35935	1.7
65.03936	3.1
67.05161	2.6
67.05501	30.6
69.03427	6.2
69.07060	29.1
70.06567	1.7
76.26502	1.2
79.05483	16.6
80.60171	1.5
81.03410	7.2
81.07054	52.0
81.19997	1.3
83.04977	4.4
83.08612	13.8
85.02905	4.2
85.06538	3.3
91.05473	18.0
93.07036	38.3
95.04972	7.7
95.08600	82.3
97.02896	5.6
97.06532	5.8
97.10179	5.5
99.04404	2.0
99.08064	1.7
103.05444	1.5
105.07022	36.7
107.04953	2.8
107.08588	53.1
109.02893	2.4
109.06512	7.2
109.10144	53.4
111.04430	2.3
111.08070	6.5
117.07014	3.3
119.04919	2.1
119.08572	56.9
121.06528	2.9
121.10136	46.1
123.04424	11.1
123.08066	3.8
123.11691	20.2
125.05984	4.5
125.09623	4.3
127.03927	5.8
129.07005	3.0
131.08533	10.1
132.67274	1.5
133.06522	1.7
133.10124	44.9
135.04376	1.4
135.08070	5.0
135.11684	35.0
137.05931	2.3
137.09598	3.1
137.13271	9.3
139.03996	1.8
139.07512	2.6
143.08575	5.2
145.06517	1.9
145.10109	13.7
147.04382	2.0
147.08093	1.5
147.11676	40.7
149.06007	1.9
149.09622	4.8
149.13245	26.0
151.03932	2.1
151.07550	2.7
151.11243	2.1
153.09096	5.2
155.08586	1.6
157.10120	7.4
159.08025	1.8
159.11691	13.2
161.09669	2.2
161.13242	22.5
163.07574	2.4
163.11185	1.8
163.14850	14.6
165.06845	2.0
165.09137	3.2
165.12727	3.8
167.07024	5.3
167.10703	5.3
169.08607	2.0
169.10057	2.7
170.16847	1.5
171.11723	5.4
173.11844	2.9
173.13269	9.4
175.11185	3.9
175.14807	15.0
177.09149	2.1
177.12764	2.1
177.16312	12.2
179.10655	2.9
179.14310	2.2
181.08609	3.0
183.11736	2.2
185.13185	5.0
186.46283	1.4
187.07541	1.9
187.14850	7.6
189.05437	2.0
189.09102	1.9
189.12767	2.7
189.16382	43.2
191.03389	1.6
191.10548	2.1
191.17929	79.6
193.12221	7.1
197.13269	1.7
199.09641	3.9
199.14848	3.9
201.12865	1.4
201.16373	12.9
203.17943	100.0
204.18329	2.5
205.15880	1.7
205.19496	17.1
207.13899	1.7
207.17439	3.0
211.13284	4.2
213.05487	6.1
213.16446	5.0
215.17957	5.1
217.15974	2.7
217.19434	11.1
221.15350	3.1
221.19022	5.6
223.14815	1.5
225.16458	2.2
227.17928	1.7
229.19524	3.3
229.24895	1.6
231.17476	7.3
231.21143	2.9
235.16978	5.4
243.21016	2.0
245.18878	2.1
245.22713	2.3
247.16914	4.2
249.18469	27.6
257.22791	1.7
259.20578	1.8
261.18582	1.9
263.02304	1.5
269.22595	3.2
283.20346	1.7
283.24063	1.6
287.20166	2.3
289.21661	2.3
295.06128	2.0
295.24039	1.8
310.04794	1.7
325.07071	5.2
347.09012	3.6
349.10681	4.5
361.10858	1.8
363.08255	2.0
364.09573	2.4
365.10141	4.5
367.11710	1.9
379.11700	17.9
383.11298	2.6
389.16400	1.5
393.13144	2.7
393.35077	6.7
403.15430	5.3
403.28534	2.5
403.33365	3.1
411.36865	1.9
421.11832	3.3
421.17322	12.9
421.29773	2.6
421.34619	16.6
422.12589	2.0
439.12985	4.9
439.17499	12.3
439.26694	52.1
439.35675	61.0
440.26944	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	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.76761	0.6
55.05505	4.3
57.07056	1.1
59.05000	1.2
60.59978	0.5
67.05497	7.1
69.03413	0.9
69.07063	6.2
70.22271	1.2
70.22672	1.1
71.04987	0.5
73.14690	0.5
77.80383	0.5
79.05476	2.3
81.07063	8.6
83.04973	1.4
83.08601	3.1
91.05446	2.6
93.07041	6.7
95.04971	1.6
95.08598	43.9
97.06488	0.6
97.10148	0.6
105.07017	4.3
107.08585	9.5
109.06525	1.7
109.10144	11.8
111.08090	1.0
111.11693	1.5
119.08572	8.9
120.06075	0.6
121.06525	1.0
121.10141	10.2
123.08056	3.9
123.11694	5.2
125.09590	0.8
131.08537	2.2
133.10126	9.1
135.08052	2.1
135.11678	6.6
137.09637	0.7
137.13232	4.7
142.54987	0.5
143.08560	0.9
145.10138	3.2
147.08057	1.3
147.11699	5.2
149.09637	5.3
149.13271	3.7
151.11183	1.2
151.14735	0.6
153.09050	0.8
157.10121	1.9
159.08025	0.6
159.11688	3.6
161.09569	1.3
161.13257	2.6
163.11195	1.6
163.14824	1.7
169.10081	0.7
171.11691	1.9
173.09602	1.1
173.13258	2.5
175.11198	1.2
175.14873	2.9
177.12752	1.1
177.16382	1.7
179.14252	0.8
179.18024	0.6
183.11674	0.9
185.13271	1.5
187.11127	0.9
187.14790	2.3
189.04587	0.6
189.12769	1.0
189.16373	6.2
189.17888	0.8
191.17960	4.9
199.14767	1.2
201.12579	0.6
201.16339	1.0
203.14317	0.6
203.17940	3.7
205.15828	1.4
205.19453	1.5
211.14853	0.8
213.16371	1.5
215.14311	2.0
215.17969	2.1
217.15846	2.4
217.19553	1.2
218.69281	0.5
219.13908	0.7
221.15388	0.7
227.14212	0.6
229.15910	1.1
229.19513	1.1
231.17393	0.8
231.21170	0.7
233.15364	1.3
233.18973	1.4
235.16846	0.9
239.18184	0.6
241.19522	0.8
243.17432	1.1
243.21040	0.9
245.22762	0.9
255.21025	1.1
257.18988	1.2
259.20560	0.9
269.22644	0.6
271.20789	0.6
275.20227	0.7
283.20499	1.7
287.23679	1.9
301.21597	1.8
311.23669	0.8
313.25266	1.2
325.29053	1.0
327.26794	4.9
349.28729	0.7
351.30612	0.9
357.27972	1.1
365.28082	0.5
381.31488	1.8
392.95847	0.7
393.31274	1.2
403.33569	1.5
421.34604	31.1
422.34793	1.1
439.35675	100.0
440.35901	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	439.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.05504	16.4
55.91431	2.1
57.02882	2.0
57.03429	2.2
57.07069	5.4
65.03941	1.9
67.05504	28.4
69.03416	6.7
69.07059	25.0
70.06583	2.4
71.05006	3.3
71.62546	4.7
72.08139	3.3
77.80764	1.8
79.05476	18.6
81.03401	2.6
81.07055	72.3
83.04981	5.6
83.08601	10.9
84.08162	3.1
85.02903	7.9
85.06536	5.8
89.94962	2.1
91.05473	23.5
93.07031	44.4
93.98560	2.1
95.04962	8.4
95.08601	100.0
97.02894	7.8
97.06532	7.4
97.10174	6.1
97.95190	1.8
100.11272	5.5
105.07020	45.8
107.04967	2.6
107.08584	59.4
107.09279	3.5
109.02905	2.7
109.06506	6.1
109.10146	44.2
110.02444	3.4
111.08096	5.0
111.11737	2.5
115.03918	2.3
115.05395	2.7
117.07030	7.3
119.04909	3.0
119.08565	60.1
121.06496	2.2
121.10133	49.3
123.04389	2.8
123.08076	6.3
123.11724	20.4
125.09604	3.4
127.03909	11.6
129.07001	3.8
131.08556	20.0
133.10126	46.0
133.11078	3.7
135.08032	5.4
135.11676	29.5
137.02310	2.5
137.06039	2.6
137.09673	5.0
137.13243	29.1
138.09111	2.4
142.07768	3.1
143.08572	9.1
145.10115	25.0
147.04430	9.1
147.11656	27.5
149.05989	4.2
149.09630	4.0
149.13251	24.0
151.07565	3.3
151.11176	2.2
155.08551	2.9
157.10097	14.4
159.11679	35.0
160.08580	2.1
161.09630	2.3
161.13245	29.5
163.03839	2.3
163.11147	3.3
163.14760	11.8
165.09157	2.0
165.12776	2.7
167.07056	5.0
169.10197	2.9
171.11758	11.2
173.13228	25.9
175.03822	2.3
175.11293	2.5
175.14821	17.9
177.05522	2.6
177.12773	18.0
177.16374	26.9
179.14290	9.9
183.11717	2.6
185.13292	8.2
187.14821	14.9
189.12694	3.8
189.16377	28.8
191.14264	9.7
191.17950	30.3
193.12361	2.5
197.13242	4.8
199.14830	8.4
201.16368	14.4
203.14287	17.0
203.17949	25.0
205.15834	3.0
205.19481	4.5
207.17534	6.8
209.13164	2.7
211.14856	3.5
213.16388	7.3
215.17989	11.7
217.15883	9.1
217.19597	8.7
219.17491	2.6
219.61192	2.4
227.18002	2.7
229.15964	2.2
229.19528	3.5
231.17496	8.3
231.21045	4.1
233.18759	2.3
241.19560	5.5
243.17508	6.2
243.21111	5.5
257.18982	3.0
257.22665	2.2
259.20612	2.8
261.18546	9.6
269.18869	2.1
271.02414	5.3
271.20602	5.3
273.18259	2.4
275.20175	2.2
279.12195	2.0
283.20596	3.1
285.21857	3.9
287.20010	4.8
289.03531	2.4
289.21472	9.3
301.21805	4.4
315.23309	5.7
379.29474	2.2
393.35269	4.2
403.24960	2.4
417.47952	2.2
421.34619	34.4
439.18686	6.0
439.23215	8.6
439.35751	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.06974	1.2
53.03933	1.9
55.05510	13.3
57.03440	2.2
57.07077	7.1
59.04956	1.3
65.03918	1.8
65.57757	1.4
67.05502	19.2
69.03424	4.6
69.07063	19.1
69.40182	14.0
70.06540	2.5
70.96526	1.4
71.05003	2.3
71.08630	2.6
72.08141	4.3
79.05489	14.1
81.03412	2.4
81.07052	60.1
83.04969	5.3
83.08604	8.4
84.08091	1.7
85.02874	2.7
85.06554	2.2
91.05471	17.8
93.07047	33.0
95.04945	4.0
95.08600	100.0
97.02889	3.3
97.06531	5.8
97.10162	4.2
103.05465	1.7
105.07027	41.2
107.04951	2.3
107.08587	47.2
109.02875	3.4
109.06518	5.7
109.10143	43.7
110.02409	1.7
111.04459	1.6
111.08085	3.8
111.11700	1.8
113.09649	1.5
115.05440	1.8
117.07034	5.1
119.04986	1.9
119.08573	46.4
121.06468	1.6
121.10135	41.9
123.08052	5.8
123.11717	16.9
125.09612	2.9
127.03903	3.7
128.06180	1.9
129.06996	3.0
131.08559	15.4
133.02855	2.0
133.10123	40.0
135.08076	3.1
135.11676	28.0
137.09613	4.8
137.13243	27.5
142.07787	3.2
143.08566	7.3
144.09389	2.1
145.10104	25.3
147.04390	8.8
147.08038	2.4
147.11676	30.5
149.09650	2.7
149.13254	22.3
151.07555	2.5
151.11166	2.5
151.14801	3.5
153.05402	1.6
155.08546	1.8
156.09344	2.8
157.10107	11.5
158.10849	1.7
159.11674	29.1
160.12030	1.9
161.02263	2.0
161.09621	2.7
161.13245	25.9
163.11195	3.0
163.14815	11.7
164.27786	1.4
167.07011	3.4
169.10156	2.2
171.11729	8.4
173.13242	19.3
175.11182	3.1
175.14833	14.2
177.05450	2.3
177.12738	12.9
177.16357	20.7
179.07149	1.5
179.14293	9.4
183.11737	1.7
185.13264	11.4
187.14832	12.8
189.12738	3.1
189.16376	18.3
191.14270	8.9
191.17928	28.3
193.04956	5.2
197.13283	4.1
199.14777	8.0
201.12718	2.4
201.16367	12.6
203.14326	13.1
203.17961	25.0
205.15877	3.2
205.19499	3.4
207.17447	7.0
209.15170	1.5
211.14899	3.7
213.16292	7.1
215.14417	1.9
215.17938	9.7
217.15912	6.8
217.19440	8.1
219.17497	3.2
221.15282	1.6
221.18990	2.4
225.16489	2.7
227.17957	5.0
229.15855	2.9
229.19603	4.5
231.17415	9.9
231.20982	2.9
233.15408	1.5
233.18948	2.3
237.16458	1.6
239.18120	1.7
241.19560	3.2
243.17554	3.3
243.21167	2.9
245.19037	1.9
245.22597	2.7
247.17017	1.7
253.19452	1.6
255.21150	1.9
257.18915	2.4
257.22678	2.4
259.20416	2.6
261.18594	8.0
265.19687	1.6
269.18936	1.7
271.20569	6.0
273.18619	2.1
275.20157	2.3
278.13950	7.0
285.22107	4.1
287.20114	3.1
289.21515	9.8
297.22177	2.8
301.21631	6.0
315.23102	4.1
339.30682	1.8
351.26834	1.6
355.26218	1.7
393.35184	3.8
403.33389	2.6
421.34668	36.4
421.40256	2.0
439.17673	5.9
439.23398	7.5
439.35721	67.5
440.18042	2.4
440.36066	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61454	1.5
52.66602	1.4
53.03935	2.3
54.01220	1.7
55.01847	1.6
55.05509	13.1
56.52032	1.5
57.03436	3.2
57.07064	6.8
65.03938	3.0
67.05498	25.3
69.03423	6.0
69.07059	20.8
70.06584	1.7
70.41842	3.4
70.42236	4.2
71.04959	2.1
72.08142	3.1
79.05479	15.9
81.03408	2.1
81.07049	65.1
83.04964	5.1
83.08625	11.2
85.02892	5.6
85.06539	4.0
86.96446	1.6
91.05461	20.1
93.07040	41.6
93.64570	1.9
94.06620	1.7
95.04950	6.1
95.08599	100.0
97.02885	2.2
97.06508	6.7
97.10160	4.7
99.08054	2.0
105.06295	2.1
105.07017	43.6
107.04968	1.9
107.08587	52.7
109.02869	3.4
109.06511	5.3
109.10141	44.3
110.02394	2.8
111.04475	1.6
111.08070	7.0
115.05457	2.0
115.45464	1.8
117.07035	6.7
119.04913	2.7
119.08570	55.9
121.02927	2.1
121.06468	2.7
121.10132	41.1
123.04404	2.2
123.08054	3.5
123.11701	16.7
125.05972	2.3
125.09621	5.3
127.03896	6.2
129.07040	3.1
131.04979	1.9
131.08562	19.1
133.10120	38.4
135.08063	4.8
135.11674	31.6
137.05957	3.2
137.09630	2.9
137.13239	29.4
142.07758	4.1
143.08537	10.0
145.10114	23.9
147.04384	7.4
147.11674	30.9
149.05948	2.1
149.09586	2.8
149.13252	19.1
151.07561	6.9
151.11200	3.1
151.14857	2.6
155.08540	3.1
156.09358	2.3
157.10097	13.9
159.08086	1.7
159.11690	27.6
161.09592	2.3
161.13225	30.0
163.07494	2.3
163.11192	2.4
163.14783	12.4
165.09142	3.3
165.12727	4.0
167.07036	6.4
169.10045	3.6
171.11703	11.0
173.13254	25.7
175.11169	4.8
175.14848	16.6
177.05414	1.9
177.12779	14.2
177.16377	19.0
179.14301	10.4
182.15416	1.6
183.11679	5.4
185.13211	8.1
187.14798	14.6
189.12708	2.5
189.16376	24.4
191.10698	2.4
191.14325	6.5
191.17929	30.1
193.15938	1.9
197.13258	5.5
199.14819	8.8
201.12761	2.5
201.16399	14.4
203.14369	14.6
203.17946	24.5
205.15799	4.8
205.19525	2.7
207.17451	6.5
211.14885	2.7
213.16377	7.2
215.17917	10.1
217.15842	5.6
217.19414	9.5
219.17447	3.4
227.17978	3.2
229.19551	4.0
231.17398	9.4
231.21109	3.6
233.15387	3.1
235.16891	1.9
241.19490	3.9
243.17447	4.3
243.21078	4.3
245.18893	2.1
245.22769	2.1
247.73097	1.8
259.16840	2.2
261.18530	11.2
267.21036	2.2
269.23065	2.2
271.20566	5.6
273.18463	2.8
283.20670	2.0
285.22070	3.5
287.20190	3.3
289.21475	9.6
301.21759	5.0
315.23312	3.1
393.35132	2.9
403.33603	3.9
421.34595	34.9
421.40204	2.7
439.09708	2.1
439.17975	3.6
439.23029	57.5
439.35712	58.9
440.23499	5.5
440.35901	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.6
57.07042	2.4
63.17252	0.7
67.05501	8.6
69.07058	10.1
70.76509	2.2
71.08615	1.1
79.05474	6.2
81.07056	18.7
83.08606	6.6
91.05470	7.2
93.07040	20.2
93.07616	1.6
94.60839	0.7
95.08599	45.0
97.10130	3.8
97.36324	0.7
97.65984	0.7
101.57109	0.7
105.06387	1.2
105.07027	18.3
107.08589	31.3
109.10150	28.2
110.67181	0.7
111.11717	0.9
119.08573	36.7
121.10136	32.3
121.11018	1.6
123.11700	11.4
125.05820	0.9
131.08562	2.6
133.09102	1.9
133.10112	32.0
135.11685	24.2
137.13225	3.6
139.07506	1.4
145.10110	4.6
147.11676	28.9
149.13252	16.7
152.06699	0.7
153.09071	5.7
159.11711	3.4
161.13240	18.3
163.14799	14.9
165.09077	1.0
167.10628	3.2
168.40303	0.7
173.13231	3.1
175.14812	10.1
177.16333	7.7
179.10675	1.5
185.13275	0.9
187.14787	3.4
188.15720	0.7
189.16367	47.3
190.16716	0.9
191.17937	76.5
192.18369	1.0
195.12862	0.8
201.16344	12.2
203.17941	100.0
204.18234	1.8
205.19493	15.3
207.17407	2.3
213.16270	1.2
215.17976	3.4
217.15939	1.5
217.19478	11.1
221.15364	1.2
221.18973	4.4
229.19513	2.3
231.17374	2.8
231.21083	5.8
233.15430	0.9
235.16914	6.0
243.21077	1.7
245.22659	2.9
247.16946	3.9
249.18474	22.4
250.18906	1.0
250.95351	0.9
257.22656	1.3
261.18573	2.2
289.21558	1.0
351.30344	1.0
355.00119	0.8
373.05429	0.8
393.35110	7.2
421.34714	1.0
439.35718	37.7
440.36093	1.6
456.80057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03933	2.7
55.05502	12.1
57.03466	1.2
57.07063	5.6
60.20821	1.2
60.31869	1.0
62.56788	1.0
65.03931	1.3
67.05501	20.8
69.07061	16.0
70.33649	2.3
70.34029	4.8
71.08598	1.8
73.95906	1.0
75.20551	1.0
79.05489	12.8
81.07055	58.7
83.04975	2.6
83.08616	8.8
91.05473	14.7
93.07043	31.4
93.96808	1.1
94.07350	1.5
95.04933	2.4
95.08603	100.0
96.08905	2.1
97.06512	5.3
97.10175	6.1
105.07022	36.1
107.08591	50.5
108.08951	1.1
109.06506	4.6
109.10153	40.3
110.10477	1.2
111.08083	3.3
111.11700	1.8
117.07011	4.4
117.71291	1.2
119.08575	45.7
120.08897	1.9
121.06503	2.3
121.10142	38.8
123.08078	2.8
123.11707	19.2
125.09609	2.6
129.07002	3.0
131.08568	16.2
133.10126	34.9
134.10339	1.2
135.08064	2.1
135.11694	29.1
137.13245	26.8
142.07816	1.7
143.08563	7.1
145.10115	20.4
147.10489	1.6
147.11676	28.4
149.13266	19.6
150.13557	1.2
151.11179	2.0
151.14804	3.1
155.08560	1.8
156.09312	1.3
157.10139	12.0
158.10864	1.6
159.10431	1.7
159.11691	24.3
159.35909	1.3
160.12245	1.2
161.13261	26.6
162.13660	1.3
163.11131	1.5
163.14803	10.5
165.12820	1.8
165.16405	1.7
169.10115	3.8
171.11700	8.8
173.13258	18.0
175.11172	3.2
175.14815	14.8
177.12778	13.6
177.16382	21.9
178.16841	1.5
179.14302	8.5
183.11667	3.5
185.13277	7.4
187.14815	13.1
189.12703	2.5
189.16385	22.2
191.14322	5.2
191.17944	28.6
192.18423	1.5
193.15822	2.5
197.13309	2.5
199.14801	7.0
200.15634	1.4
201.12495	1.2
201.16347	11.9
202.53244	1.0
203.14313	15.0
203.17937	25.8
205.15829	1.6
205.19542	3.0
207.17383	6.0
211.14777	3.6
213.16429	6.4
215.14503	1.6
215.17946	9.7
217.15862	5.9
217.19435	7.0
218.92305	1.1
219.17473	2.5
221.18982	2.3
225.16362	1.8
227.17961	3.9
229.15826	2.6
229.19505	4.1
231.17429	7.3
231.21045	3.7
233.18982	2.4
237.16214	1.1
239.18053	1.3
241.19530	4.2
243.17526	4.1
243.21097	3.7
245.19025	1.7
245.22752	2.5
247.17012	2.1
255.17276	1.7
255.21100	2.5
257.19043	2.0
257.22580	2.0
259.20721	1.4
261.18561	7.7
267.21228	1.5
269.22668	1.8
271.20715	6.4
271.23511	1.0
273.18643	1.9
273.22018	1.2
275.20050	2.3
285.22061	2.6
287.20059	4.5
289.21548	11.0
290.21985	1.4
297.22104	1.2
301.21719	5.9
315.23181	4.7
325.07382	1.4
339.30551	1.5
355.26187	1.6
379.29797	1.4
393.35104	2.4
397.30960	1.6
403.33768	2.6
421.29092	2.2
421.34662	30.1
422.34830	3.3
439.35696	64.9
440.36096	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62329	1.9
53.03937	2.5
53.45428	1.8
55.05503	10.8
57.07056	4.9
67.05500	19.3
68.86006	1.5
69.07059	15.7
71.74706	1.5
79.05489	13.5
81.07050	51.1
83.04958	3.5
83.08627	8.9
85.06538	2.0
91.05463	16.6
93.07037	33.4
95.08601	100.0
97.06527	4.2
97.10157	2.9
105.07021	40.9
107.08589	52.7
109.06510	3.9
109.10146	45.9
109.38634	1.6
111.08082	4.2
117.06992	5.4
119.08575	51.6
120.34176	1.7
121.06444	2.3
121.10130	46.7
123.08083	2.8
123.11704	21.8
131.08554	17.1
133.10121	41.6
135.08110	1.8
135.11687	23.8
137.13239	27.4
143.08522	5.4
144.09302	2.1
145.10103	23.1
147.11682	35.2
149.09604	2.3
149.13243	22.8
151.11198	2.2
157.10110	14.3
159.11673	25.3
160.12462	1.9
161.09561	2.1
161.13251	27.4
163.11147	3.0
163.14807	12.8
165.09171	1.9
165.12773	1.9
169.10107	3.9
171.11705	12.5
173.13243	22.3
175.11180	4.0
175.14832	19.7
177.12737	16.3
177.16365	18.6
179.14307	7.9
179.17896	1.7
183.11702	5.4
185.13248	10.3
187.14793	14.2
189.12749	1.9
189.16373	21.9
191.14328	5.7
191.17950	26.5
193.15901	3.0
197.13316	3.3
199.09712	1.8
199.14774	10.5
201.16324	13.8
203.14310	15.4
203.17957	28.1
205.15752	2.1
205.19601	4.5
207.17386	3.8
211.14870	2.8
213.16353	6.7
215.17978	9.7
217.15910	4.4
217.19502	10.2
219.17497	3.9
221.19040	3.8
227.17960	5.6
229.16013	2.7
229.19524	4.6
231.17569	8.6
231.21065	5.6
241.19383	2.3
243.17462	5.3
243.21033	6.1
245.22591	2.1
257.22604	3.2
259.20749	2.3
261.18561	8.1
269.18909	1.7
269.22690	2.1
271.20569	6.8
275.19989	2.6
283.20560	2.1
285.22122	3.4
287.20108	2.4
289.21521	9.2
297.22055	1.9
301.21698	2.7
315.23236	4.0
325.06799	2.2
379.30063	2.2
387.89487	1.7
393.35229	2.4
403.33380	3.7
411.36365	2.4
421.12473	1.9
421.34592	35.5
431.85590	1.9
439.35727	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	439.3568
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
52.73635	2.0
53.03934	3.5
55.05500	10.1
57.07068	6.0
60.84276	2.1
65.65739	2.1
67.05501	21.1
69.07060	19.7
69.37243	21.0
72.88942	2.1
79.05486	13.9
80.39623	2.2
81.07050	53.7
83.04956	3.3
83.08612	11.4
91.05448	15.9
93.07041	36.3
95.04970	7.5
95.08604	100.0
97.06526	6.9
97.10179	4.2
98.20770	4.6
101.76147	2.6
105.07030	39.3
107.08593	54.4
109.06548	4.1
109.10147	37.7
109.31917	2.4
111.08017	2.8
111.41486	2.1
116.36233	2.5
117.07047	4.3
119.08577	52.0
121.06513	2.2
121.10146	45.7
123.11682	18.9
129.07002	3.8
131.08580	15.5
133.10129	34.1
135.08022	3.6
135.11670	28.6
137.09607	4.2
137.13245	25.3
143.08575	9.4
145.10121	18.1
147.11684	26.9
149.09749	2.6
149.13248	21.5
157.10123	8.3
159.11690	24.5
161.13263	26.5
163.14804	13.4
167.07027	2.5
169.10118	3.8
171.11697	8.9
173.13271	18.7
175.11281	4.7
175.14815	19.3
177.12778	13.8
177.16393	18.9
179.14302	10.5
183.11714	4.6
185.13281	10.2
187.14822	12.3
189.16344	23.5
191.14261	3.9
191.17929	26.5
197.13324	4.2
199.14854	6.7
201.16437	13.0
203.14337	14.4
203.17940	23.8
205.19539	3.1
207.17435	9.3
211.14842	3.1
213.16376	8.7
215.17978	9.6
217.16078	4.9
217.19527	6.3
227.17896	5.7
229.15849	3.1
229.19492	6.3
231.17458	6.4
231.21103	2.9
243.17477	5.0
243.21100	3.3
261.18436	6.4
269.22617	2.4
271.20416	4.6
275.20169	2.6
285.21970	5.4
289.21609	9.8
301.21555	3.3
315.23267	4.1
325.59854	2.5
363.69659	2.4
393.35394	3.6
421.34641	34.0
422.35248	2.6
439.35690	77.5
440.35977	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	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05499	8.5
57.07055	4.2
67.05494	15.5
69.07063	21.1
70.56113	8.6
71.04979	3.1
71.99323	2.5
79.05489	6.5
81.07049	42.2
83.08618	9.7
87.04435	7.4
91.05478	7.2
93.07034	23.3
95.08601	61.2
97.10213	3.4
105.07022	23.0
107.08589	38.7
109.06546	4.8
109.10144	41.7
111.08115	3.0
111.11705	6.2
113.37908	2.7
115.07580	2.6
117.07040	3.8
119.08567	43.2
121.10122	39.6
123.08029	3.3
123.11690	21.0
127.70927	2.5
128.06219	3.2
131.08595	10.6
133.10115	28.9
135.11690	21.3
137.09581	3.8
137.13231	9.9
142.07794	3.0
143.08560	9.6
145.10080	15.9
147.11658	17.4
149.09641	4.7
149.13264	15.1
155.08479	2.7
156.09306	3.5
157.10106	12.5
159.11687	24.5
161.09645	4.5
161.13274	17.2
163.14827	10.1
165.12766	6.7
169.10159	3.3
170.10918	3.2
171.11710	7.7
173.13304	12.7
175.14793	13.2
177.12733	4.1
177.16429	7.9
183.11716	6.0
185.13280	9.4
187.14842	11.0
189.12746	3.2
189.16344	15.2
191.17931	35.0
193.15901	4.3
197.13187	4.0
199.14822	9.2
201.16333	6.1
203.14308	8.7
203.17932	14.7
205.19530	7.5
210.62222	2.9
211.14767	4.2
213.16405	4.6
215.14363	4.0
215.17957	6.4
217.15981	5.7
217.19443	13.2
219.17476	5.7
221.15388	4.6
225.16425	3.4
227.84933	2.9
229.19563	6.1
231.21085	6.4
235.16920	44.3
241.19475	4.0
261.18439	4.3
285.22116	3.1
311.27353	7.8
325.28979	7.1
351.30475	3.2
351.87650	2.9
353.32193	4.7
363.30063	4.0
403.33658	10.3
421.34647	37.8
439.35703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01860	2.3
55.05507	17.6
57.03428	3.5
57.07060	6.1
61.02905	2.5
65.03907	1.9
67.05501	28.0
69.03412	8.3
69.07062	34.1
70.06580	3.4
71.01350	1.5
71.04985	3.0
71.62586	1.7
72.08144	3.6
73.02904	8.6
73.63216	1.3
79.05484	16.9
81.03419	4.6
81.07049	64.9
83.04971	5.9
83.08628	11.0
83.09081	2.2
84.08112	2.1
85.02897	14.4
85.06544	5.9
87.04480	2.7
91.05477	18.1
93.07033	41.8
95.01286	1.7
95.04981	6.9
95.08596	100.0
97.02861	9.3
97.06542	8.2
97.10162	4.7
99.04435	2.2
99.08083	4.0
105.03374	1.9
105.07023	46.5
107.04954	3.0
107.08585	60.4
109.02865	5.2
109.06509	6.1
109.10146	49.9
109.10905	2.0
111.04454	3.5
111.08073	6.2
111.11729	4.8
115.03909	4.2
115.05438	1.4
117.07018	5.7
119.04890	1.6
119.08575	51.9
121.02801	1.6
121.06484	4.4
121.10138	49.4
123.04423	2.8
123.08065	5.3
123.11693	23.4
125.06045	1.8
125.09605	3.8
127.03914	12.4
128.06282	1.8
129.07005	3.4
130.07698	1.7
131.08553	20.4
133.04970	2.1
133.06427	1.5
133.10126	40.0
135.04431	2.5
135.08067	4.1
135.11702	30.4
137.05965	3.8
137.09622	4.1
137.13252	32.3
141.05428	1.7
142.07764	2.1
143.08545	8.0
144.09300	2.0
145.04947	2.8
145.10112	28.2
147.04427	10.4
147.11681	36.8
149.09608	4.8
149.13239	20.2
151.07526	5.7
151.11179	3.2
151.14809	1.8
153.05554	1.7
155.08551	3.5
156.09306	3.4
157.10101	13.7
158.10936	1.8
159.08072	1.5
159.11678	31.9
160.07689	1.7
160.12343	1.7
161.09633	3.4
161.13237	26.3
163.06035	1.4
163.11221	2.8
163.14798	13.4
163.33116	1.4
165.09131	5.0
165.16371	2.0
167.07074	9.7
168.06555	2.8
169.10155	3.5
171.11694	11.7
173.09581	1.7
173.13242	22.6
174.13631	1.6
175.11259	3.4
175.14828	18.7
176.15111	1.5
177.05434	1.9
177.12756	9.0
177.16359	19.4
179.14284	7.7
181.04958	1.5
183.11700	5.7
185.09708	2.1
185.13295	9.1
187.14827	12.7
188.07208	1.6
189.05498	1.6
189.12758	5.1
189.16362	27.5
191.10625	1.7
191.14333	6.8
191.17926	34.8
193.12291	1.5
197.13264	3.1
199.14836	8.5
201.16388	13.4
203.05328	2.0
203.14272	11.1
203.17937	27.1
205.15930	3.2
205.19577	4.2
207.17480	5.2
211.14772	3.2
213.16328	7.4
215.14362	2.3
215.17931	11.3
217.15858	6.8
217.19318	7.4
219.17401	4.9
225.16426	3.0
227.17902	4.3
229.15862	2.9
229.19507	5.4
231.13814	2.1
231.17453	11.4
231.21027	3.7
233.19006	2.2
235.16920	2.4
239.17870	1.9
241.19566	4.4
243.17487	4.5
243.21030	4.8
247.16925	1.6
253.19431	2.4
255.11368	2.4
255.21104	2.8
257.19052	1.7
257.22626	3.2
259.16733	2.7
259.20560	2.6
261.18484	9.8
267.21124	1.5
269.18900	1.4
269.22729	1.8
271.20532	4.4
273.18433	2.1
275.20142	2.1
283.20602	3.2
283.24225	1.5
285.22000	2.4
287.20081	4.1
289.21567	8.7
301.21704	4.1
307.05811	1.7
309.04028	1.5
311.05566	4.1
315.13437	14.0
315.23117	3.5
325.07349	1.6
355.26767	1.9
369.18793	4.6
393.35107	4.1
395.27734	2.1
403.33481	3.4
421.25732	1.5
421.34698	29.7
439.16879	4.8
439.23010	92.9
439.35776	63.0
440.23633	8.9
440.36176	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05504	12.6
57.03400	2.6
57.07059	6.8
63.43046	2.2
67.05506	24.6
69.03423	5.2
69.07063	24.5
69.91784	12.5
69.96980	2.4
70.06561	3.3
71.04989	2.3
73.44674	2.1
79.05488	17.6
79.16447	2.1
81.03404	3.1
81.07050	72.9
83.04959	4.8
83.08614	10.1
85.02889	3.0
85.06556	2.1
91.05466	16.5
93.07032	44.8
95.04945	5.4
95.08598	100.0
97.02885	5.4
97.06522	19.2
97.10167	6.1
105.07023	47.6
107.08578	58.0
109.06506	6.4
109.10149	52.7
111.08107	4.1
111.11700	2.8
117.07000	5.3
119.08562	62.3
121.06538	4.2
121.10119	42.7
123.08080	6.4
123.11713	23.9
125.06009	4.1
127.03893	5.7
129.07028	2.9
131.08551	22.7
133.10124	39.2
135.08047	4.8
135.11678	30.8
137.05998	2.3
137.09622	6.0
137.13237	28.6
142.07764	3.6
143.08511	10.7
144.09373	2.3
145.10127	30.7
147.04504	2.0
147.11681	36.4
149.09602	2.6
149.13245	25.2
151.07527	3.5
151.14789	3.0
156.09348	3.8
157.10100	24.2
159.11670	37.0
161.09651	2.9
161.13232	35.3
163.11163	2.9
163.14804	11.4
165.09140	3.6
167.07051	4.9
169.08737	2.4
169.10129	5.4
171.11627	12.2
173.13242	29.4
175.11096	3.3
175.14818	18.8
177.12744	10.6
177.16383	22.6
179.14319	8.4
183.11658	7.6
185.13257	13.4
187.14821	17.3
189.16383	26.3
191.14278	7.7
191.17952	38.9
197.13278	7.3
199.14758	13.7
201.16322	17.2
203.14322	12.8
203.17905	23.5
205.15950	3.7
205.19513	5.1
207.17403	4.4
213.16356	14.6
215.14363	4.4
215.17967	9.8
217.15831	7.6
217.19487	6.8
219.17500	5.4
221.19150	2.8
225.16400	5.0
227.17966	5.5
229.15897	3.3
229.19435	5.5
231.17413	15.8
231.21060	4.2
235.16972	2.5
239.17892	5.6
241.19528	6.1
243.17398	2.9
247.16916	4.1
253.19606	3.3
257.18942	3.1
261.18558	9.1
262.18100	2.6
269.19254	2.9
269.22598	5.0
271.20636	4.4
275.20142	3.3
283.20697	3.5
285.22223	4.7
287.20126	3.3
289.21570	9.6
301.21518	4.4
304.66681	2.1
315.23264	4.9
325.07056	2.7
363.30615	8.3
365.10803	2.6
393.35315	3.2
403.33560	6.5
421.29230	3.3
421.34662	50.7
432.11578	2.4
439.13940	9.8
439.35742	78.3
440.36398	2.5
456.72000	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	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48938	1.6
52.80516	1.5
55.01855	4.5
55.05509	17.6
56.96563	1.4
57.03440	2.9
57.07065	6.9
57.44689	1.5
59.05000	1.8
62.14781	1.5
64.56385	1.4
65.03941	3.1
66.84083	1.6
67.05498	24.8
69.03416	5.9
69.07072	22.0
70.06587	3.2
70.88657	3.9
71.04990	3.6
71.08608	2.4
72.08153	5.5
79.05481	13.5
81.03407	4.3
81.07052	66.7
83.04961	3.5
83.08607	11.6
84.08144	3.2
85.02892	5.6
85.06509	8.7
86.09689	3.5
91.05484	16.0
93.07038	37.1
95.04964	7.3
95.08600	100.0
97.02879	5.2
97.06544	7.9
97.10176	5.5
99.04433	2.4
99.08083	6.4
100.11274	2.7
105.07027	46.2
107.04959	2.4
107.08585	51.8
109.02852	3.4
109.06525	9.4
109.10148	43.0
109.10906	2.2
111.04464	1.9
111.08057	5.1
117.07017	6.4
119.04972	2.5
119.08574	44.1
120.08935	2.8
121.02904	2.5
121.06510	3.6
121.10136	49.2
123.04310	1.7
123.08080	6.2
123.11704	23.6
125.06043	1.8
125.09634	4.4
127.03918	8.2
129.07010	3.5
131.04970	1.9
131.08578	17.7
133.06528	3.0
133.10117	37.6
135.08069	4.5
135.11673	31.2
137.05988	5.2
137.09612	5.8
137.13240	23.7
139.11203	2.8
142.07819	1.6
143.08543	11.1
145.10132	23.6
147.04370	10.3
147.08075	1.6
147.11674	31.9
148.99879	1.6
149.09627	2.7
149.13254	19.0
151.07581	3.8
151.11200	2.7
151.14818	2.2
155.08514	3.4
157.10136	13.3
158.10896	2.4
159.11690	36.7
160.12341	1.9
161.09593	2.8
161.13235	27.9
163.11153	3.8
163.14816	13.3
165.09142	6.9
165.12758	4.0
167.07047	5.9
167.08498	2.2
169.10118	4.7
171.11658	12.5
173.09651	3.9
173.13254	23.5
175.11197	3.7
175.14806	17.3
177.05496	3.3
177.12788	12.0
177.16364	21.3
179.14294	9.1
183.11700	3.6
185.13208	12.3
187.11226	1.9
187.14774	12.3
189.05553	1.7
189.12683	3.0
189.16354	21.9
191.10706	3.0
191.14394	9.6
191.17938	30.9
193.12315	2.2
197.13321	5.3
199.14833	10.4
201.05360	1.7
201.16388	15.4
203.14319	13.0
203.17921	23.6
205.15883	1.9
205.19476	3.5
207.17511	5.8
211.14948	1.9
213.16284	8.3
215.14436	2.4
215.17940	11.7
217.15991	7.9
217.19434	10.6
219.17473	2.7
225.16333	2.2
227.17990	6.1
229.15834	2.1
229.19571	4.7
231.17406	9.4
231.21127	4.5
235.16905	3.1
241.19542	3.2
243.17441	4.5
243.21150	3.1
245.19066	2.0
245.22684	2.3
247.16982	3.1
247.20605	1.8
253.19508	1.9
257.19025	2.6
257.22751	2.6
259.20526	3.5
261.18546	7.2
261.22217	2.0
271.20621	5.4
273.18564	2.5
285.22168	2.7
287.20032	1.7
289.21533	7.8
301.21756	4.4
307.05927	2.0
315.13425	10.0
315.23349	3.7
379.29733	2.7
393.35272	3.2
403.33542	3.8
421.34601	32.7
423.15137	2.7
439.15747	3.9
439.22665	6.2
439.35797	58.8
439.66904	2.5
440.30157	1.9
440.36237	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05252	3.3
55.05505	33.4
55.89598	1.7
57.03432	2.6
57.07072	14.1
59.05000	2.3
67.05499	25.2
68.32209	1.9
68.75519	2.0
69.03432	2.8
69.07064	60.4
69.89674	9.0
71.08620	11.2
79.05496	11.2
81.06569	4.0
81.07049	67.1
83.08616	36.1
85.06534	5.3
85.10188	4.0
87.04458	2.7
91.05489	11.7
93.07043	28.7
95.04956	5.9
95.08604	68.9
97.06506	4.8
97.10172	27.2
98.21379	3.6
99.04447	44.5
99.08070	3.6
101.02367	2.6
105.07020	24.9
107.08591	34.7
109.06513	6.4
109.10148	52.5
111.08086	7.5
111.11699	14.5
119.08572	33.2
121.06480	2.2
121.10127	32.3
123.08041	4.2
123.11700	23.3
125.05997	3.3
125.09612	2.4
125.13271	4.7
127.03880	2.0
129.06978	2.2
131.08559	6.4
133.10118	26.3
135.08055	5.2
135.11696	22.0
137.09592	3.1
137.13239	8.8
139.11201	2.5
141.05487	2.9
143.08577	7.0
145.04970	4.3
145.10146	17.0
147.08002	3.2
147.11687	22.8
149.09613	5.0
149.13283	11.9
151.14786	3.1
153.05444	3.2
153.12758	2.4
155.08514	2.5
157.10135	9.0
159.11708	17.5
161.09688	3.4
161.13243	17.2
163.11165	3.8
163.14818	8.0
165.12743	4.7
169.10124	2.7
171.11740	11.2
173.13246	9.6
175.11266	2.5
175.14815	11.0
177.16371	9.8
179.14325	3.0
183.11655	4.1
184.12527	2.6
185.13237	6.2
187.14835	10.1
189.16350	16.1
191.14313	3.1
191.17934	9.0
197.13269	4.5
199.14799	5.5
201.12854	2.6
201.16389	6.2
203.14388	2.4
203.18034	11.8
205.15808	4.1
207.17426	6.0
211.14867	3.1
213.16376	5.9
215.17868	5.3
217.15892	6.4
217.19516	4.7
219.17383	6.9
219.21017	2.1
227.17973	5.3
229.15991	2.4
231.17435	6.0
233.19157	2.2
241.19542	3.7
243.21126	2.3
245.18994	9.1
253.19576	2.7
258.49911	2.3
267.21017	2.9
271.20728	4.2
285.22107	6.1
297.22125	2.3
299.23938	3.0
301.18423	2.9
305.28354	3.9
311.48456	2.3
389.30301	4.2
403.33160	5.9
421.35037	24.4
439.36023	100.0
440.36026	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	439.3205
Annotation	Salacenonal
Peak:m/z	Relative Intensity
54.65674	0.6
55.05512	3.0
56.59967	0.6
57.07037	1.7
58.18896	0.6
67.05517	4.0
68.80759	0.5
69.03405	0.8
69.07062	12.2
71.54953	1.1
76.09542	0.6
79.05485	4.0
81.07049	12.9
83.08613	2.9
89.05975	2.3
91.05474	3.5
93.07040	9.2
95.04957	0.9
95.08601	19.7
96.08920	0.6
97.06467	1.0
97.10113	2.0
105.07021	10.0
107.04885	0.7
107.08581	11.9
107.77219	0.6
109.06473	1.4
109.10155	11.3
111.11642	2.0
117.06974	1.5
119.04877	1.4
119.08579	12.8
121.06421	1.9
121.10133	10.3
123.07967	1.1
123.11709	5.2
125.13168	0.8
131.08604	3.0
133.06441	0.8
133.08545	0.8
133.10101	9.3
135.07942	2.4
135.11674	7.7
137.09570	0.9
137.13261	4.4
143.08473	1.9
145.10124	5.7
147.04378	0.8
147.08058	4.0
147.11671	8.8
149.05907	0.6
149.09531	1.5
149.13248	5.3
151.11090	0.7
155.08490	1.2
156.09274	1.1
157.10100	3.3
159.11688	4.3
161.05844	1.8
161.09503	1.7
161.13263	6.1
163.07516	3.0
163.11093	1.1
163.14812	3.7
169.09975	1.0
170.10738	0.7
171.11696	3.2
173.09450	0.9
173.13200	3.4
175.11066	1.6
175.14801	3.3
177.12737	0.7
177.16351	3.0
179.14273	1.2
183.11516	1.7
183.95343	0.6
185.13150	1.5
187.11047	2.2
187.14677	2.5
189.12793	2.9
189.16371	8.1
191.16209	0.7
191.17920	12.7
193.10075	0.6
195.11574	0.8
197.13126	1.6
199.11041	1.5
199.14677	1.7
201.09122	0.6
201.12595	1.0
201.16347	3.5
203.14113	1.2
203.16006	0.6
203.17926	10.5
205.19496	3.3
211.14781	0.7
211.66867	0.7
213.12744	1.0
213.16246	2.5
215.10487	2.1
215.14139	0.9
215.17757	2.0
217.12242	9.9
217.15695	2.2
217.19356	2.0
219.17253	0.7
219.20662	0.7
221.19023	0.7
223.14746	0.7
225.16496	0.7
227.17863	1.5
229.12036	1.4
229.19388	1.3
231.13715	1.2
231.17226	2.7
231.20868	0.7
233.11647	0.7
233.15132	0.9
233.18901	1.3
235.13162	1.3
239.14645	2.2
239.17882	0.6
240.15120	1.1
241.15735	1.1
241.19398	0.8
243.20982	1.1
247.13153	2.3
247.16869	1.4
249.18340	2.4
255.20874	0.9
261.18304	0.8
273.21976	0.8
283.16678	2.2
283.19965	1.2
285.21982	0.7
287.16153	1.2
295.23856	0.6
297.21872	1.5
301.17462	1.7
301.20828	0.8
325.25055	1.3
353.24710	13.9
393.35120	1.4
403.29333	1.0
421.29929	9.4
421.34656	3.8
439.31552	100.0
440.32220	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.01860	6.5
55.05513	26.1
57.03415	12.9
57.07063	7.0
59.05001	4.3
61.02907	11.4
65.03922	4.9
67.05174	3.2
67.05500	50.6
69.03122	3.5
69.03429	39.6
69.07053	34.6
71.01375	3.6
71.04974	15.0
73.02899	10.7
77.03915	4.2
78.37915	3.6
79.05485	59.9
81.03408	16.5
81.07051	71.9
83.04977	18.0
83.08607	14.9
85.02901	90.8
85.06519	11.1
85.51608	3.5
87.04456	7.9
91.05475	42.1
93.06469	5.5
93.07037	100.0
95.04942	15.1
95.08601	58.6
97.02882	32.7
97.06541	8.7
97.10147	9.7
99.04433	10.7
99.08029	3.2
99.73689	3.5
103.03902	4.6
105.07024	52.5
107.04953	7.7
107.08585	61.8
109.02843	8.7
109.06509	8.0
109.10153	39.7
109.10849	5.6
111.04408	12.3
111.08072	5.8
115.03917	3.5
117.06999	20.8
119.04946	4.6
119.08574	49.8
121.02864	3.4
121.06477	8.0
121.10128	63.7
121.33698	3.1
123.04435	7.2
123.08056	6.7
123.11697	10.6
125.09576	8.0
127.03913	19.3
129.05466	9.7
129.06996	12.4
131.08545	28.0
133.10120	46.0
135.08061	9.6
135.11679	50.0
137.05957	5.1
137.09592	4.7
139.11154	3.3
141.07042	4.4
143.08530	15.2
143.17567	3.5
145.04959	11.3
145.06430	6.8
145.10130	27.1
147.04427	4.4
147.11670	29.0
149.02342	36.1
149.09605	6.5
149.13239	31.7
150.02730	15.3
151.07509	6.9
151.11096	4.3
153.05458	4.6
155.08540	9.4
157.10074	16.0
159.08044	5.1
159.11688	28.6
161.09621	8.6
161.13200	21.8
163.03870	3.5
163.14818	7.2
165.09099	4.0
167.07025	6.2
168.09346	3.4
169.10097	6.3
171.07886	3.6
171.11650	20.4
173.09628	4.4
173.13222	21.2
175.07492	4.4
175.11174	7.3
175.14755	9.5
177.16325	4.6
183.11681	8.9
185.13251	8.8
187.11061	5.2
187.14816	7.9
189.12698	7.3
189.16380	10.9
191.10713	4.6
191.17950	9.5
193.04967	53.9
193.10269	3.5
193.12093	3.9
194.05263	41.4
195.11615	4.7
197.13281	5.8
199.14783	9.3
201.16336	8.1
203.14342	3.6
203.17941	16.5
211.11140	3.7
213.05418	5.2
213.16415	5.8
215.10728	3.5
215.14481	4.6
217.15901	5.6
221.15144	3.8
225.16422	4.2
233.18832	4.1
235.16904	8.3
239.09013	4.2
259.20551	7.4
275.11023	5.3
275.20068	20.8
277.21594	96.5
287.19955	4.6
289.21655	16.4
291.23163	9.6
293.12271	4.2
295.06012	20.6
301.21570	14.9
303.10110	4.7
307.06198	4.2
310.04605	5.7
311.05463	9.5
313.21497	5.5
319.22528	6.9
321.53250	3.5
325.07019	11.3
331.09595	23.6
335.08963	4.1
339.08569	14.0
341.10382	4.0
343.22620	4.7
347.09067	4.5
349.10663	64.1
349.21506	4.3
350.11182	5.0
361.10046	3.3
365.09991	12.0
367.22592	11.0
379.11807	5.7
383.11111	9.6
385.23499	18.4
403.15225	8.5
403.24506	26.8
403.33191	4.8
421.16830	17.7
421.25357	17.8
421.34802	7.9
439.17746	69.1
439.27042	25.7
439.36017	25.3
440.17865	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	439.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.7
58.06546	0.6
65.03886	0.7
69.03371	1.0
69.07000	0.9
70.06593	2.2
70.98185	0.5
70.98522	0.6
71.04953	0.5
71.06857	0.5
72.08153	3.4
73.02881	0.3
74.82671	0.3
79.05427	0.3
81.03358	0.7
83.04955	0.3
84.08080	0.8
85.02904	2.4
86.09696	5.9
91.05470	5.1
93.06990	0.4
94.06538	0.7
95.08552	0.7
96.08091	0.4
97.02820	1.0
97.06461	0.4
97.07575	0.5
98.06017	0.5
98.09655	0.6
107.04875	0.4
107.08532	0.6
108.35073	0.3
109.02820	0.6
109.10085	0.4
109.13775	0.3
110.02317	0.5
111.04407	0.5
112.07556	1.1
114.10305	2.3
114.12795	4.4
115.08621	0.5
119.04929	19.3
120.05241	0.3
120.58891	0.4
121.10111	0.6
125.22829	0.4
127.03868	1.4
131.12840	0.4
131.15450	3.5
138.05511	0.5
140.03397	0.4
140.07057	0.6
147.04391	100.0
148.04736	2.7
152.07028	0.5
157.13399	0.7
163.03918	0.3
176.10725	0.9
191.17992	0.4
192.06702	0.3
217.13332	0.5
218.11829	1.0
232.09653	1.8
232.13371	0.4
234.11372	0.7
235.14478	1.6
235.64655	0.8
244.15436	0.3
259.14478	0.4
260.14084	1.0
261.16138	0.4
277.15445	39.2
277.19107	2.9
278.15671	1.8
286.07281	0.3
317.53085	0.3
421.20035	0.8
439.24881	51.8
440.25354	2.5
451.27081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04359	0.4
53.65854	0.5
54.24483	0.5
60.04551	0.5
60.05669	1.6
61.02935	0.5
65.03948	0.5
69.03447	1.8
69.07066	0.6
70.06586	2.3
71.62770	0.7
72.08154	6.6
72.08517	0.5
75.82680	0.4
79.05509	0.5
83.04961	0.5
83.74738	0.4
84.08135	1.3
85.02927	2.0
86.09702	2.4
89.10823	0.9
91.05470	4.5
94.06571	1.9
95.08627	0.5
96.08152	0.5
97.02909	1.4
97.07662	1.0
98.06059	0.6
98.09728	0.6
98.97592	0.5
107.04964	0.8
107.08599	0.9
109.02894	0.9
112.07632	1.0
114.10287	11.2
114.12814	1.8
115.08710	1.6
116.98649	0.5
119.04939	15.6
121.10159	0.6
127.03931	1.3
131.12878	2.3
131.15425	1.0
132.57216	0.4
138.05531	1.2
140.07086	1.1
147.04402	100.0
148.04742	1.4
148.48735	0.5
175.07481	0.4
177.05731	0.4
191.17824	0.7
203.17973	0.7
217.10432	0.4
217.13353	2.5
218.11835	3.4
232.09772	0.6
235.14354	1.4
241.64424	0.4
259.14334	0.9
260.13901	4.2
261.16119	0.4
277.15384	16.5
421.19757	0.6
439.21509	50.9
439.34332	1.4
440.21753	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73723	0.2
55.05502	0.5
59.00559	0.2
60.05640	0.9
65.03933	0.5
68.18295	0.2
69.03429	0.8
70.06579	0.7
72.08149	4.7
73.04014	0.3
81.03416	0.4
82.06526	0.2
84.04507	0.2
85.02874	0.7
86.09716	0.2
89.10785	0.5
91.05467	3.8
94.06542	0.2
95.04974	0.3
95.08636	0.2
97.02863	0.5
97.07628	0.8
98.06052	0.8
99.04444	0.2
102.62518	0.2
107.04937	0.3
107.08560	0.3
110.02384	0.3
112.07615	0.6
113.07913	0.2
114.10278	9.0
115.07542	0.2
115.08675	2.3
119.04934	12.4
120.58876	0.2
121.06512	0.2
126.76456	0.2
127.03898	0.6
131.12892	1.3
133.53850	0.2
147.04395	100.0
148.04729	2.3
152.07104	0.5
157.10872	0.6
163.03903	0.3
209.15361	0.3
217.13322	2.4
218.11749	5.9
218.13841	0.4
219.12033	0.9
223.70641	0.2
226.63071	0.2
227.13145	0.2
235.14386	2.6
235.64522	2.1
236.14839	0.5
239.20491	0.2
260.13965	3.8
275.17578	0.4
276.17892	0.4
277.16522	4.9
330.92264	0.2
422.19217	0.8
439.21814	62.5
440.22089	1.3
445.66708	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	439.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01863	3.2
55.05491	6.5
55.57667	1.7
57.03419	7.8
61.02911	5.8
61.99135	2.1
65.03925	3.8
66.98509	1.7
67.05504	100.0
69.03426	23.6
69.07047	6.5
69.65627	3.0
69.66029	9.5
70.06596	12.6
71.04973	3.3
72.08150	26.6
73.02909	8.7
79.05482	4.5
81.03411	5.6
81.07051	14.6
82.06575	1.7
83.04971	2.3
83.08617	2.3
84.08144	10.1
85.02427	2.1
85.02905	36.1
85.06522	4.6
86.09704	6.3
87.04459	4.8
91.05471	4.9
93.07050	4.3
95.04961	4.2
95.08585	5.0
97.02888	25.3
97.06527	2.9
98.06052	3.9
98.20737	3.0
99.04441	5.1
100.17622	1.9
101.05989	2.3
101.58540	1.9
105.07028	5.3
107.04931	5.1
107.08571	5.5
109.02862	7.0
109.10152	98.6
110.07153	1.8
114.10294	4.1
115.03945	10.5
117.03391	2.5
119.04935	6.7
119.08543	3.2
120.08087	3.0
121.02892	9.2
121.03618	1.7
121.10129	3.4
122.06011	2.1
125.09588	2.5
127.03899	24.2
127.11198	24.9
128.04219	2.6
128.07101	2.2
133.04961	7.7
133.10117	4.8
135.04434	2.2
136.07487	2.2
137.02271	1.9
137.09521	1.9
145.02809	4.8
145.04971	10.8
145.06549	2.1
147.04417	19.3
147.11580	2.0
155.10710	2.9
157.05038	2.5
157.10907	2.5
159.11610	2.0
161.05927	2.4
162.05617	1.6
163.03889	16.0
163.06021	5.0
167.07024	2.3
173.13263	3.6
174.05487	4.2
175.05959	1.6
176.10738	2.0
177.05490	5.1
185.39523	1.6
187.03870	3.2
189.01840	2.5
191.06902	3.1
191.14328	4.7
195.02867	2.4
204.10194	4.2
207.02852	2.1
215.07018	2.2
216.10089	2.2
218.11859	2.6
219.14810	1.7
244.64926	1.9
247.14468	14.3
251.14079	1.7
255.17046	1.7
259.14441	7.8
267.06522	2.0
277.06815	4.0
277.15479	50.4
279.06216	2.3
295.06003	9.2
302.04636	1.6
307.05960	11.3
307.09000	1.7
321.07526	3.9
322.08356	2.2
325.06985	18.4
337.06906	2.2
347.09106	4.6
365.10193	5.1
375.08588	4.6
379.08047	1.9
391.08353	8.8
403.07892	4.0
407.18066	2.7
407.23004	4.9
409.09064	3.8
421.09467	9.7
439.10321	21.2
439.20422	11.6
439.35443	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2187
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
53.03933	1.6
55.01857	4.4
55.05505	4.4
57.03431	7.7
61.02911	4.0
65.03928	3.2
67.05502	90.9
69.03421	18.9
69.07054	3.6
69.79562	3.9
69.79976	4.4
70.06582	3.6
71.04982	2.4
72.08141	4.1
73.02911	10.9
79.05492	3.2
81.03426	6.2
81.07043	10.0
82.06575	1.4
83.08611	1.6
84.08131	3.2
85.02898	35.2
85.06514	2.6
86.09716	1.6
87.04467	1.6
91.05456	3.2
93.07047	1.5
95.04934	1.8
95.08588	2.4
97.02888	20.4
97.06533	2.2
98.21382	2.4
105.07012	2.7
107.04977	2.5
107.08560	3.9
109.02869	4.9
109.10148	89.7
110.06021	1.3
110.10413	1.6
111.04433	1.3
115.03915	7.2
119.04904	3.2
119.08582	1.9
121.02857	10.7
121.05217	1.6
121.06518	1.8
121.10094	1.5
122.06023	3.7
122.44463	1.2
125.09637	3.2
127.03904	11.3
127.11181	22.8
128.07111	2.2
133.04958	8.1
133.10100	1.8
134.05995	4.5
138.05429	1.8
145.02870	1.2
145.04958	8.0
145.06444	2.2
146.05972	4.7
147.04399	5.3
155.10680	2.6
160.97386	1.3
161.05898	1.7
162.05489	1.6
163.03922	1.6
163.06029	3.8
167.07043	1.5
171.46182	1.3
173.13275	1.4
174.05492	16.6
174.09178	1.6
176.10680	2.2
177.01950	1.6
177.05382	1.3
188.10773	3.1
189.01910	2.3
191.03362	2.6
193.04961	5.0
195.02856	3.4
201.05333	1.5
203.03479	1.6
204.10178	14.0
207.02887	2.0
216.10202	8.0
217.13330	2.0
226.06110	1.9
231.14818	2.7
241.08849	6.2
241.13931	1.8
245.16306	1.7
247.14412	43.3
259.09512	6.6
259.14374	19.3
268.07343	1.8
277.15451	100.0
278.15753	2.8
292.94513	1.5
293.08127	2.8
294.05170	3.5
295.06012	13.0
296.06635	3.5
297.07730	1.8
307.05933	17.4
308.06674	3.5
309.07593	1.7
319.05905	1.7
321.07465	7.8
322.08188	4.6
323.05441	1.7
323.08994	1.6
325.07043	36.7
326.07388	2.7
333.07468	2.1
335.09247	1.6
337.07114	6.1
347.09045	3.2
349.07034	3.2
351.08636	5.0
365.10223	8.2
375.08487	3.2
379.08145	5.5
382.09381	1.5
391.08060	12.7
393.09604	2.2
403.08200	9.4
407.23163	2.4
409.08838	3.8
421.09106	13.9
439.10257	35.6
439.16925	1.9
439.20267	4.8
440.10522	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	439.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
57.03426	0.4
58.06593	2.4
61.02910	0.8
62.82731	0.3
67.42468	0.3
68.05019	0.4
69.03418	2.8
69.07047	0.5
70.06591	3.4
71.04974	0.6
71.62338	0.4
71.62753	0.4
72.08157	1.5
73.02878	0.5
79.05468	0.5
81.03382	0.9
82.06571	1.6
84.04480	0.7
84.08119	1.2
85.02902	5.4
86.09667	0.6
91.05469	0.9
93.07022	0.6
94.06573	2.5
95.04960	0.4
96.04473	0.5
96.08125	35.1
97.02878	2.1
97.08449	0.4
98.06035	0.5
98.09693	4.8
98.22303	0.3
98.97596	0.6
99.04394	0.3
99.20109	0.3
100.07616	0.3
105.07010	0.4
107.08556	0.4
109.02853	0.8
112.03945	0.4
112.07563	1.3
114.09163	2.7
114.09914	0.4
114.10243	0.4
115.08612	0.3
116.07066	0.9
116.98570	0.4
119.01862	0.4
119.04907	1.0
120.08082	0.4
122.06022	0.7
122.09641	0.6
124.03944	1.2
127.03871	1.4
130.08513	0.4
132.04361	0.3
133.98119	0.4
134.09639	0.7
134.99643	0.4
136.07507	0.4
138.05501	1.6
139.64537	0.3
145.04936	0.7
146.05966	1.2
147.04402	7.7
148.07561	0.4
148.11198	0.6
157.03481	0.7
160.11223	0.4
162.05399	0.4
164.06993	0.8
169.03355	0.4
174.09126	0.8
175.04503	0.6
176.07050	0.6
186.09180	0.4
187.12328	0.3
188.07104	0.4
188.10663	1.0
193.04945	0.5
202.08669	1.9
214.08621	0.5
216.10187	4.3
218.11697	0.5
223.02780	0.4
231.11339	0.5
232.09781	0.5
234.11217	1.6
241.08569	1.4
241.13284	0.5
245.04898	0.4
247.14511	0.5
259.09967	1.5
259.14392	11.3
276.14465	1.7
277.12192	4.6
277.15442	100.0
278.15704	1.8
296.30066	0.3
311.06516	0.4
379.11014	0.8
397.11765	0.6
407.05383	0.4
421.15768	0.5
439.07928	2.8
439.14279	4.5
439.20776	50.3
440.08420	0.4
440.21121	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
57.03425	0.7
58.06593	1.3
61.02914	0.8
68.05033	0.7
68.91148	0.6
69.03430	2.3
69.75300	0.5
70.06604	2.5
71.62595	1.2
72.08147	1.3
73.02938	0.5
79.05483	0.9
79.20741	0.5
79.25491	0.5
80.05032	0.6
81.03407	1.2
81.05791	1.0
82.06573	1.4
84.04520	0.5
84.08132	1.8
84.53642	0.5
85.02901	5.1
87.04457	1.0
91.25004	0.5
94.06564	7.4
96.08122	60.5
97.02863	2.0
97.08461	0.7
98.09690	7.6
98.97580	1.3
108.08130	0.7
110.06008	0.8
110.09695	1.6
112.07608	2.0
114.09159	6.8
116.98677	0.8
122.06004	1.2
122.09680	1.1
122.48605	0.4
127.03941	1.2
132.08090	0.7
134.05992	0.9
138.05505	2.3
138.09142	2.1
145.04962	0.6
146.06021	1.3
147.04387	2.7
147.58261	0.4
148.04782	0.9
148.07610	1.2
150.89001	0.6
153.09673	0.5
160.07599	0.6
162.05544	0.7
162.09096	0.7
164.07057	2.4
174.09135	0.8
176.07030	2.5
178.04970	0.9
178.08806	0.7
186.09074	0.6
187.12238	1.1
198.09129	0.9
202.08687	1.8
205.09755	0.7
215.11798	2.3
216.10275	2.0
218.08167	0.6
218.11734	1.2
219.12231	0.5
229.13303	0.5
231.11401	1.0
233.12872	0.6
234.11290	0.8
235.14452	1.4
235.64600	1.3
237.02693	0.6
241.13345	2.4
259.10941	3.4
259.14401	37.1
276.14465	3.7
277.11978	12.0
277.15527	58.9
278.12375	0.9
278.15860	1.6
439.20850	100.0
440.21277	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
57.32887	0.2
65.03907	0.2
67.05501	0.5
68.05025	0.5
69.03423	0.8
69.07059	0.2
69.62025	1.0
69.62443	0.5
70.06592	0.5
72.08146	2.5
79.04250	0.6
79.05453	0.2
81.03407	0.3
81.07049	0.2
82.82269	0.2
85.02908	0.7
89.10765	0.3
91.05482	0.3
93.37912	0.2
94.06563	100.0
94.81356	0.2
95.06875	1.0
96.04491	0.8
96.08122	11.0
97.02921	0.3
97.07632	0.2
97.08458	0.2
98.06047	0.3
98.09704	0.6
107.08584	0.4
110.02410	0.3
110.06052	0.3
114.09160	0.6
114.10300	0.9
119.04944	1.4
121.10181	0.3
127.03925	0.3
132.08101	1.0
133.08925	0.5
134.05988	0.3
146.06044	0.3
147.04401	9.1
148.04778	0.8
148.07565	0.3
150.05482	0.6
152.07094	0.4
154.98314	0.2
160.07593	1.6
163.03894	0.3
164.07053	5.6
164.08351	0.4
174.09117	2.5
176.07108	0.4
184.07585	0.4
196.99376	0.2
198.09189	0.4
200.10771	0.4
202.08618	4.8
210.09148	0.4
217.13483	0.2
218.11757	2.0
219.12093	0.3
226.63091	0.5
227.13284	0.4
228.10184	0.8
235.14395	2.3
235.64574	1.9
236.14729	0.4
241.13286	1.5
252.08751	0.2
259.14404	7.1
260.14349	0.3
276.14441	0.5
277.15671	0.4
298.70920	0.2
412.01718	0.2
421.15408	0.2
439.20764	71.2
440.21219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01875	0.6
55.05504	2.1
57.03450	0.6
57.07065	0.7
61.02921	0.4
65.03929	0.7
67.05503	3.4
68.99793	0.6
69.03067	0.5
69.03426	6.2
69.07065	1.9
70.16147	0.2
70.92310	0.8
71.04990	0.3
72.07372	0.3
72.08155	0.5
73.02886	0.3
77.03909	0.3
79.05489	5.2
81.03418	1.4
81.07049	6.2
83.04973	2.7
83.08632	0.7
85.02886	2.2
85.06550	0.5
87.00822	1.1
91.05471	5.4
91.05999	0.4
93.07050	3.8
95.04960	4.1
95.08598	3.9
97.02885	1.3
97.06537	1.0
99.04432	0.4
100.11266	0.5
103.05464	0.3
105.01881	1.0
105.07023	8.0
107.04945	2.9
107.08585	18.4
109.02876	1.4
109.06507	3.2
109.10149	7.7
109.10894	0.3
111.04412	0.6
115.05434	1.6
117.07000	1.5
119.06075	0.4
119.08575	4.3
120.08060	0.3
121.06483	2.1
121.10132	11.9
122.07275	4.9
123.04420	0.3
123.08089	1.5
123.11703	0.6
125.06026	0.5
125.09597	0.4
127.03916	3.4
129.01842	0.3
129.05449	0.4
129.07030	0.8
131.08553	2.5
133.10121	100.0
134.10403	2.1
134.89171	0.3
135.08034	5.5
135.11685	2.0
137.05974	0.7
137.09605	49.4
138.09970	0.7
142.07799	0.4
142.12228	0.3
143.08563	1.1
145.04953	0.5
145.06494	0.3
145.10118	2.3
147.04424	0.8
147.08076	0.7
147.11673	2.5
149.09618	5.5
149.13239	8.0
151.07550	0.6
151.11165	0.8
157.10104	0.5
158.10887	1.3
159.08018	0.4
159.11690	1.0
161.05986	0.7
161.09555	0.4
161.13240	1.0
163.11116	0.7
163.14792	2.1
167.06935	0.3
169.10182	0.4
171.08066	0.4
171.11707	0.5
173.13245	6.8
175.11095	0.4
175.14786	0.3
177.12695	0.4
185.13228	0.6
187.11116	0.5
187.14806	0.8
189.09021	0.3
189.12709	0.9
189.16354	0.3
191.14293	39.3
191.17958	0.9
192.14635	0.7
193.15894	0.4
197.90376	0.3
198.14835	0.4
201.12766	0.4
203.14281	1.2
203.18030	0.5
205.15987	0.5
207.13837	0.4
207.17363	0.3
209.15175	0.3
210.14810	0.4
213.03989	0.6
213.12740	0.4
215.14307	0.8
231.05000	0.7
231.13820	0.9
245.15331	1.1
255.13780	0.4
273.14856	0.6
275.16275	0.5
299.16644	0.3
308.79788	0.3
317.17404	0.5
335.18579	0.5
353.19485	0.7
403.17227	0.4
421.18381	0.9
421.34604	0.6
439.19299	1.1
439.23486	0.6
439.35986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1857
Annotation	Sotrastaurin
Peak:m/z	Relative Intensity
52.44448	0.6
53.83695	0.6
55.01849	1.5
55.05511	3.2
56.09355	0.6
57.07056	0.9
64.16004	0.6
65.03915	0.7
67.05479	1.8
69.03418	1.5
69.07047	1.8
70.06574	2.8
71.04980	0.7
72.08149	18.6
79.05495	1.7
80.01375	0.7
81.03401	1.3
81.07043	3.4
81.20352	0.6
82.02918	2.6
83.04970	1.4
84.08112	0.7
85.02889	2.2
85.06543	1.1
87.04443	0.7
90.28373	0.6
91.05482	1.4
93.07028	1.8
95.04946	1.3
95.08595	2.6
97.02850	0.8
98.02386	2.6
98.06026	2.5
99.04446	1.2
105.07008	2.7
107.04945	4.9
107.08559	1.7
109.02853	1.1
109.06500	0.6
109.10167	1.7
110.02393	79.4
110.29160	0.6
111.02681	0.9
111.04430	0.7
115.08680	1.1
117.06988	0.9
119.04941	1.4
119.08562	2.6
121.02888	1.5
121.06491	1.3
121.10127	1.3
122.06032	1.5
123.04442	1.4
123.11696	0.7
127.03903	8.0
131.04872	1.4
131.08543	0.9
133.06425	1.1
133.10074	1.5
135.11673	1.2
137.05969	1.1
143.08644	0.7
145.10091	1.4
147.04422	2.1
147.11644	0.9
149.07057	1.1
149.13249	0.9
151.07556	1.4
152.07050	38.9
153.01746	0.9
153.05490	0.9
155.86397	0.6
159.11603	0.7
161.06047	1.1
163.07550	1.1
165.09102	1.2
167.07011	14.4
167.08244	1.2
168.07372	1.4
173.05956	1.0
173.13281	0.8
177.05455	0.8
181.04999	0.9
183.08047	0.8
189.16388	0.8
191.07002	0.8
191.14319	0.9
193.08618	1.9
209.09602	0.8
213.05656	0.7
219.08160	1.0
222.06837	0.9
223.20607	1.0
229.30499	0.8
233.11911	0.6
234.06743	0.8
234.09096	1.0
235.07686	0.9
235.09857	0.7
237.09093	1.3
239.06989	1.0
241.04939	1.2
247.07582	1.1
250.06065	0.8
256.07266	1.5
262.06128	0.9
262.08636	1.1
263.06940	1.4
265.08505	1.9
278.05490	0.9
278.08261	1.3
279.06201	0.7
285.07565	0.9
290.08231	2.0
291.08859	0.7
292.09766	2.6
293.08014	1.3
294.07700	0.7
301.07077	1.3
305.07382	0.9
306.07559	1.9
308.09137	2.5
313.88110	0.6
320.09183	3.7
321.09982	1.4
323.09070	2.7
324.08539	2.0
324.12320	6.3
325.10553	3.6
336.08685	1.6
336.12338	0.7
337.10153	0.8
340.11676	4.1
351.08685	1.1
352.11859	3.7
355.15695	1.0
364.11322	0.7
378.13272	2.1
380.11224	1.0
387.18274	0.9
394.16458	11.4
394.48291	0.7
395.16949	0.9
405.19070	0.9
422.15970	28.8
423.16156	1.0
439.18613	100.0
440.18869	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	439.1749
Annotation	Kanzonol T
Peak:m/z	Relative Intensity
53.03925	0.5
55.01836	1.2
55.05494	0.8
57.07047	0.7
65.03916	0.4
67.05456	1.3
69.07026	1.1
70.23657	1.8
79.05457	1.7
81.03389	0.5
81.07048	3.1
83.01310	0.6
84.19147	0.4
91.05468	1.9
93.03393	0.9
93.07030	2.5
95.04949	0.6
95.08605	2.5
97.06488	0.7
97.10163	0.6
103.05434	1.2
105.03336	0.5
105.06966	1.6
107.04903	1.7
107.08597	2.5
109.02833	1.0
109.06476	1.2
109.10108	1.7
117.07003	3.3
119.08590	1.8
121.02837	0.9
121.06503	0.9
121.10094	1.2
123.04442	0.5
123.08053	0.6
123.11703	0.7
129.06940	1.7
131.04865	1.7
131.08533	0.9
133.06468	0.6
133.10097	1.6
135.04396	1.2
135.08043	14.1
135.11604	0.7
136.08377	0.5
143.08430	0.6
145.06432	0.8
145.10054	0.7
147.04353	0.8
147.07986	0.9
147.11650	1.0
147.44965	0.4
149.02255	0.5
149.13231	0.7
157.06482	2.3
157.10161	0.4
159.04420	6.1
161.02341	2.4
161.13188	0.5
163.07587	2.5
169.01314	0.7
171.11598	0.6
173.13359	0.5
175.03871	0.7
175.07547	0.9
177.01810	1.4
185.05928	2.2
189.01802	5.0
189.05461	5.1
191.17807	0.5
193.10191	0.8
195.02901	5.0
195.08084	0.4
199.07460	0.4
202.07660	0.4
203.03345	1.0
203.06927	2.4
203.17957	0.6
207.02901	5.1
207.06416	0.6
213.05453	25.5
214.05849	0.8
216.04124	1.3
217.12236	0.4
221.09666	0.9
231.06500	21.7
232.06879	0.6
245.09589	0.7
248.08264	0.5
249.07430	9.3
265.08572	0.5
273.09003	0.5
275.06964	1.5
276.07794	0.8
277.08542	3.0
285.03934	0.4
289.05142	0.6
291.10168	0.7
293.04440	8.5
293.07721	0.3
301.08594	1.2
304.07208	2.2
305.04471	1.2
305.08054	1.2
305.24719	0.5
308.06631	0.5
311.05505	7.5
319.06195	0.5
319.09695	1.5
323.05505	0.5
323.09073	0.8
329.08041	5.8
331.05908	2.2
332.06641	3.9
347.09122	34.5
347.25745	3.3
348.09558	1.3
350.07755	0.4
365.10175	100.0
366.10611	3.0
367.11710	4.1
383.11282	2.4
421.16431	55.1
421.29160	1.3
422.16599	2.0
439.17349	1.2
439.30457	3.4
439.36484	2.0
458.43478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.175
Annotation	Kanzonol T
Peak:m/z	Relative Intensity
55.05473	1.2
57.07035	0.7
59.27985	0.3
67.05501	2.0
69.07025	1.6
69.07366	0.4
69.97937	0.8
69.98357	1.4
72.08120	0.4
79.05448	1.4
81.07063	2.5
83.08589	1.0
91.05431	1.1
93.07027	2.4
95.08603	4.4
97.06503	0.6
97.10126	0.6
98.20779	0.5
99.08023	0.5
99.56055	0.4
105.07016	2.3
105.07569	0.4
107.08575	3.2
109.06481	0.5
109.10146	2.5
111.08059	0.6
117.06964	0.7
119.08577	3.0
121.10150	2.3
123.04385	0.7
123.11655	1.2
127.03928	0.5
129.07010	0.7
131.04846	0.4
131.08546	1.6
133.02869	0.7
133.10118	2.3
134.03648	2.1
135.08031	0.6
135.11665	1.2
137.05974	0.8
137.13231	0.5
143.08578	0.5
145.10095	1.3
147.11710	2.0
149.09590	0.7
149.13231	1.1
150.03107	0.5
151.03831	1.1
155.08621	0.4
157.06477	0.9
157.10118	0.5
159.04416	3.7
159.08006	0.8
159.11684	1.5
161.13199	1.2
163.14824	0.6
165.05434	1.5
165.06767	0.4
169.06375	0.4
169.80260	0.4
173.13243	1.0
175.11186	0.6
175.14729	1.0
177.12778	0.6
177.16380	0.6
181.06477	0.4
184.53404	0.4
185.05963	0.9
186.06831	0.5
187.07518	3.9
187.14824	0.5
189.05492	2.2
189.16423	1.8
191.17923	1.9
197.13199	0.4
199.14799	0.7
201.16341	1.0
203.18016	2.6
205.15962	0.5
205.19479	0.6
213.05444	15.1
213.16350	0.6
214.05959	0.5
217.10178	0.5
217.15866	0.5
217.19376	0.5
231.06490	1.1
245.09549	0.6
247.07449	0.5
249.18280	0.6
261.09048	0.6
262.09476	0.4
289.08612	1.5
290.09302	1.2
293.04446	0.7
293.07947	0.6
301.08600	0.9
307.06180	0.4
307.09540	1.1
309.07446	0.6
310.04712	3.9
311.05466	6.0
317.07919	0.5
318.08841	3.1
321.07565	1.7
322.04776	1.4
322.08350	0.9
323.09000	0.5
325.07056	7.0
329.08109	0.9
332.06958	0.4
333.11227	3.2
335.09064	0.7
336.06207	0.8
336.09973	1.2
337.07034	1.5
337.10669	1.6
345.07684	0.8
346.08337	13.8
347.08923	0.9
347.26093	0.6
349.07013	1.7
351.08649	0.6
361.10672	20.9
362.11102	1.0
363.08536	1.3
364.09360	18.5
364.16473	0.5
365.10056	1.6
367.11740	1.1
377.10135	0.7
379.11746	100.0
380.12097	3.8
383.11197	3.4
391.11758	0.7
403.15460	1.0
403.29050	0.4
406.14072	1.5
421.16443	58.8
422.16559	2.9
439.17517	49.6
439.31546	2.1
439.36053	1.8
440.17828	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1749
Annotation	Erysenegalensein H
Peak:m/z	Relative Intensity
55.05507	1.2
65.03934	0.8
67.05500	3.9
69.07050	2.8
71.07133	1.9
76.53163	0.6
79.05484	2.5
81.03436	0.7
81.07050	4.4
83.01340	1.0
83.08595	1.3
91.05495	4.0
93.07047	3.7
95.04963	2.0
95.08609	6.3
96.68434	0.8
97.06543	0.8
97.10158	0.9
99.08085	0.7
103.05442	1.5
105.03371	1.0
105.07015	3.8
105.83677	0.6
107.04930	1.8
107.08588	5.2
109.02877	1.9
109.06548	0.9
109.10147	3.9
115.05502	0.7
117.07018	5.2
119.08578	3.9
121.02813	0.9
121.06493	1.0
121.10126	3.3
123.04417	3.9
123.08099	1.0
123.11690	1.6
125.09639	0.7
128.06247	1.1
129.07021	2.2
131.04926	1.5
131.08534	3.0
133.10129	3.8
135.04417	1.6
135.08038	9.5
135.11661	2.0
137.02382	1.3
137.13203	0.7
143.08476	0.9
145.06456	1.2
145.10074	2.3
147.11653	2.6
149.09631	0.9
149.13248	1.3
151.03888	1.6
155.08560	1.0
157.06451	2.7
157.10101	1.4
159.04410	7.2
159.11664	1.8
161.02328	1.4
161.13206	1.1
163.07538	2.2
163.14876	0.8
172.12515	0.7
173.13272	1.5
175.07549	1.0
175.14821	0.8
177.01782	1.6
183.11665	1.0
185.06003	2.1
185.13232	0.9
187.07549	3.8
187.14746	1.2
189.01804	4.9
189.05460	5.6
189.16414	1.6
191.14215	0.8
191.17963	2.1
195.02905	7.8
197.13191	0.8
199.14774	0.8
201.16356	1.1
203.03337	0.9
203.06958	5.1
203.17911	1.9
207.02893	4.4
207.06387	0.8
213.05446	24.4
215.17647	0.7
216.04124	1.4
231.06506	18.3
245.09656	1.1
249.07515	8.0
253.05365	0.8
273.09152	1.0
276.07870	0.7
277.08743	0.7
281.04462	1.3
291.10101	0.9
293.04422	8.8
295.05942	1.3
299.05417	2.2
301.08420	1.0
303.06488	0.9
303.15933	0.7
311.05469	41.0
312.06021	1.2
319.09515	1.6
323.09039	1.2
329.08084	7.2
331.05914	0.9
332.07001	0.9
347.09100	16.8
349.07117	1.9
349.10892	0.9
350.07687	1.2
365.10175	100.0
366.10330	5.1
367.11749	1.0
383.11209	57.2
384.11459	2.5
393.17007	1.4
403.15543	1.5
421.16452	7.5
421.34705	2.5
439.17548	17.8
439.26721	1.1
439.35812	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	439.1749
Annotation	Erysenegalensein O
Peak:m/z	Relative Intensity
52.40268	0.4
55.05462	1.0
56.02779	0.4
58.90207	0.4
59.04958	0.8
60.15564	0.5
65.58388	0.4
67.05456	1.2
69.07018	1.4
69.82993	1.6
69.83413	1.0
71.08564	0.4
74.24113	0.4
79.05470	0.8
81.07045	2.6
83.08599	0.7
91.05438	1.0
93.06990	1.6
95.08587	3.8
97.10162	0.5
98.20870	0.6
105.07016	2.0
107.04875	0.5
107.08575	2.3
109.10166	2.2
113.59939	0.5
117.06922	0.5
119.04881	1.2
119.08575	2.4
121.02863	2.6
121.03552	0.4
121.10131	2.0
123.11616	1.0
131.08546	0.7
133.10095	2.3
135.11684	1.9
147.11703	2.2
149.13193	1.2
153.09084	0.5
159.11629	0.7
161.13187	1.2
163.14787	0.8
165.01874	0.6
167.60561	0.4
175.14809	0.8
177.16374	0.5
185.05832	0.5
189.01682	0.9
189.16376	2.5
191.17929	5.8
193.01273	0.5
193.07286	0.5
195.02820	1.4
195.05093	0.4
201.16235	0.7
203.17934	7.4
205.19507	1.2
209.00734	1.6
211.02335	0.9
227.01775	0.8
232.08818	1.2
235.02368	0.6
247.17065	0.5
249.18427	1.4
260.08215	0.5
262.10416	0.4
267.06555	1.0
268.07278	1.2
269.08102	0.5
275.10785	0.5
279.06592	0.6
282.05017	0.6
283.06000	6.8
295.06000	20.3
296.06662	1.6
297.07578	1.5
303.10126	3.3
307.06006	4.4
307.09464	0.7
308.06415	0.4
309.03903	22.9
310.04529	0.6
311.05469	63.0
312.05850	2.0
319.75186	0.5
321.07632	1.1
323.09106	30.7
324.09494	1.1
325.07040	8.1
327.04993	4.0
331.09610	12.5
332.10458	0.5
334.08270	0.6
335.09048	0.8
337.10651	6.4
347.09094	0.8
349.10663	26.7
350.11179	1.3
365.10284	2.6
366.10745	0.5
367.11871	0.7
383.11212	100.0
384.11362	2.4
403.15442	1.1
421.16547	4.4
421.34769	0.6
439.17511	34.9
439.35779	1.7
440.18100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.175
Annotation	5,7-Dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-6-(2-hydroxy-3-methyl-3-butenyl)-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.05507	0.7
67.05500	2.9
69.07050	1.2
69.68607	3.0
69.69019	1.1
79.05488	1.6
81.07049	2.4
81.87176	0.5
91.05478	1.4
93.07030	1.7
95.04955	0.6
95.08593	1.4
98.20702	0.5
105.07021	1.2
107.04958	2.3
107.08582	1.5
109.10145	2.3
111.08082	0.5
117.07013	0.6
119.04914	0.9
119.08575	1.3
121.02863	4.8
121.06478	0.5
121.10133	1.6
123.04393	3.4
123.11675	0.5
131.04922	0.7
131.08560	0.8
132.24535	0.5
133.02890	0.6
133.10127	1.3
135.04401	2.2
143.08524	0.8
145.10077	0.6
147.04343	0.6
147.11664	0.8
149.05966	0.7
155.08485	0.6
157.06514	0.9
159.04402	1.5
169.06564	0.6
171.08037	0.7
183.08133	0.7
185.05852	0.7
187.07407	0.8
189.16403	0.7
193.10158	0.9
193.12141	0.7
195.11740	0.5
198.81200	0.5
201.05353	0.5
211.07465	1.0
213.05415	3.6
213.16426	0.7
225.05464	0.5
239.10474	0.5
244.08800	0.5
257.09659	0.6
267.10345	0.8
275.10623	0.7
287.10678	0.5
295.06021	4.2
299.10730	0.7
303.10245	1.3
305.07996	1.4
307.05957	1.7
311.05609	0.9
315.10141	1.3
317.08182	1.1
318.08823	1.2
319.09641	1.5
321.07544	2.5
321.10693	0.5
327.09906	0.6
331.09653	8.6
333.07419	1.4
333.11282	1.7
334.08054	0.6
335.08908	0.8
337.10648	1.6
341.08029	1.0
341.11832	0.6
343.09579	3.4
345.07324	1.0
345.11188	1.4
347.09100	2.3
348.10013	1.0
349.10675	18.1
350.10989	0.8
355.09674	2.1
359.08908	0.7
361.10553	3.8
361.14322	0.6
365.10178	0.9
367.12698	2.3
369.11270	1.5
370.11911	1.4
371.12619	0.6
373.10617	1.3
374.11169	0.5
375.12173	1.3
375.16272	0.5
383.10962	0.7
385.14273	8.6
387.12210	1.6
388.13150	1.5
403.15372	100.0
404.15747	4.9
421.11105	0.9
421.16434	12.6
421.29428	0.8
439.17035	1.5
439.26645	1.2
439.36151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1749
Annotation	Vogelin I
Peak:m/z	Relative Intensity
55.01842	0.5
55.05493	1.6
57.03442	0.5
57.07069	0.6
59.04995	0.9
61.93780	0.4
67.05508	4.5
69.03416	0.8
69.07083	3.2
69.63398	0.5
70.06608	0.4
71.04979	0.5
71.36006	0.9
79.05474	2.4
81.07056	5.9
83.04977	1.3
83.08604	1.6
85.02902	0.7
85.06513	0.5
91.05451	2.8
93.07043	3.9
95.04967	1.4
95.08598	6.3
97.02923	0.6
97.06535	0.8
97.10226	0.4
105.07040	4.4
107.04976	2.4
107.06602	0.6
107.08588	4.7
109.02861	0.9
109.06503	1.3
109.10146	3.9
117.07034	1.5
119.04961	0.9
119.08582	5.2
121.02855	1.9
121.06454	0.7
121.10107	3.7
123.04430	7.8
123.11710	1.6
127.03946	0.6
129.06937	1.1
131.04884	0.5
131.08560	2.1
133.02794	0.5
133.10110	3.2
135.04413	2.4
135.08015	0.6
135.11696	1.8
137.09651	0.6
137.13268	0.9
143.08560	1.3
145.03094	0.6
145.06477	0.6
145.10112	3.1
147.04460	1.0
147.11690	2.3
149.09624	0.8
149.13290	1.7
151.07478	0.8
153.05411	0.7
155.08542	0.7
157.06438	0.8
157.10132	1.5
159.04384	2.4
159.08031	0.9
159.11694	2.4
161.09575	0.7
161.13248	2.1
163.03975	0.7
165.09184	1.5
167.07051	0.8
169.10094	0.7
171.08063	0.7
171.11588	0.6
173.09563	0.5
173.13268	1.7
175.03912	0.8
175.07593	0.8
175.11195	0.5
175.14809	0.9
177.12953	0.5
177.16371	0.6
182.60536	0.5
183.11641	0.7
185.05994	0.7
185.13342	0.9
187.07515	1.7
187.14824	1.1
189.05460	1.1
189.16367	2.2
191.10628	0.6
191.17973	1.7
195.02841	1.0
197.09602	0.5
199.14809	0.6
201.05493	0.5
201.16322	1.2
203.03407	1.0
203.07040	1.2
203.17970	1.6
211.07547	0.9
213.05405	7.0
227.17802	0.8
231.06281	0.7
239.06937	0.8
257.08203	0.6
267.06497	1.2
268.07379	1.9
269.08060	1.0
275.10760	0.7
279.06454	0.6
283.06046	1.2
285.11258	0.6
287.09418	0.7
289.08545	0.7
291.06464	0.6
293.08163	0.7
293.11658	0.5
295.05988	13.4
295.09314	0.8
296.06757	1.6
297.07657	2.2
299.12827	2.5
303.10226	2.2
307.06100	6.2
307.09525	0.9
308.06766	1.0
309.07602	1.9
317.08173	0.9
318.08865	0.7
319.09726	0.5
321.07599	2.0
321.11026	0.6
325.06927	1.0
329.24551	0.5
331.09641	9.6
333.07520	1.3
333.11237	1.3
334.08133	1.2
335.09109	18.7
336.09628	1.2
337.10498	0.6
339.08545	0.8
343.09702	1.4
345.07245	0.8
346.08151	0.6
347.09149	0.7
349.10681	20.6
350.11157	1.0
355.09882	0.5
361.10657	3.1
363.12262	1.2
364.09421	0.8
365.10217	1.5
367.11804	1.7
368.12534	7.7
370.12137	0.6
379.11810	5.2
385.14407	1.4
393.17029	0.9
403.10873	0.7
403.15472	11.2
421.16891	14.7
421.34567	1.7
422.16776	0.6
439.17535	100.0
439.36047	6.6
440.17715	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	439.1748
Annotation	Lupinisoflavone E
Peak:m/z	Relative Intensity
55.05494	0.6
59.04998	9.0
59.20115	0.3
60.91169	0.2
67.05492	1.0
69.07061	2.8
70.16833	0.7
70.17252	0.5
72.08155	0.4
79.05491	0.9
81.03386	0.2
81.07047	1.6
91.05464	1.5
93.03394	0.3
93.07031	1.1
93.07542	0.2
95.04978	0.4
95.08593	2.0
103.05490	0.5
105.07030	1.3
107.04956	0.9
107.08548	1.1
109.10143	1.4
111.08114	0.2
116.48392	0.2
119.04944	1.3
119.08568	1.6
121.02847	0.7
121.10138	1.3
123.08038	0.3
123.11674	0.7
125.06021	0.2
129.06972	0.4
131.08566	0.5
133.10101	0.9
135.04404	0.6
135.08020	0.4
135.11652	0.8
137.13269	0.3
143.08537	0.4
145.06503	0.3
145.10103	0.4
147.04381	2.9
147.08043	1.3
147.11687	0.7
149.02364	0.4
149.13226	0.4
157.06429	0.3
159.08087	0.3
159.11647	0.6
161.02367	0.4
161.13268	0.5
165.06934	0.2
167.07054	0.4
167.08467	0.2
169.06575	0.2
171.08012	0.2
173.13242	0.3
175.07469	1.2
175.14873	0.3
177.01854	0.5
189.01793	3.8
189.16394	0.6
191.17973	0.6
193.04903	0.5
194.05292	0.2
195.08095	0.3
199.07492	0.2
200.04581	0.4
201.01736	0.3
201.05435	0.5
201.16376	0.4
203.17921	1.1
207.02866	3.6
219.03127	0.4
219.17268	0.2
223.07555	0.3
239.06972	0.4
243.06566	0.9
251.07039	1.0
266.05829	0.3
267.06281	0.4
279.06531	0.8
289.04889	0.3
295.03424	0.2
295.05969	10.3
307.05978	18.9
308.06387	0.9
331.09674	0.3
335.12683	0.8
345.11020	0.8
347.09143	0.4
363.12231	100.0
364.12613	3.5
365.10150	0.4
403.15430	0.3
421.16620	0.5
421.34650	0.5
439.17627	0.7
439.27316	0.4
439.36307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1749
Annotation	Lupinisoflavone E
Peak:m/z	Relative Intensity
55.05505	1.6
57.70872	0.6
59.05010	1.0
67.05498	4.3
69.03445	0.7
69.07074	3.6
71.17194	0.6
71.63062	1.5
72.08170	0.9
74.63252	0.6
79.05489	2.3
81.03429	1.0
81.07047	5.6
83.08586	1.1
83.42602	0.7
91.00977	0.6
91.05481	2.2
93.07015	4.7
95.04969	1.5
95.08610	6.5
97.06494	0.7
97.10126	0.7
105.07047	3.6
107.04974	0.9
107.08586	6.0
109.02872	2.0
109.06480	1.3
109.10131	4.9
111.08094	1.0
117.06963	1.4
119.08575	5.5
121.06491	1.5
121.10161	3.8
123.04430	12.3
123.08075	1.3
123.11703	1.5
129.07013	1.3
131.08556	1.6
133.10110	3.8
135.04395	1.7
135.08054	2.2
135.11691	3.3
137.02342	0.7
137.13278	1.0
143.08496	0.9
144.53195	0.7
145.10068	3.2
147.04408	1.6
147.08099	1.1
147.11681	2.4
149.09642	1.0
149.13219	1.4
157.10043	1.6
159.04417	1.3
159.11684	1.9
161.05980	0.7
161.09653	0.9
161.13242	2.1
163.03935	0.8
167.07121	0.8
171.11649	0.9
173.09584	0.8
173.13228	1.3
175.14799	1.6
177.01846	2.4
181.87029	0.7
185.13316	1.4
187.14891	0.9
189.01753	0.9
189.05510	1.0
189.16357	3.1
191.03639	0.9
191.17973	2.7
195.02898	10.9
201.16415	1.7
203.14334	0.8
203.17999	2.7
207.02924	0.9
209.04478	0.7
213.05449	4.3
215.07077	1.3
215.17981	1.0
216.04015	0.8
231.06543	2.6
233.08047	0.7
241.04901	1.0
249.07571	1.9
293.04416	13.5
295.05923	2.6
295.09140	0.8
299.05490	2.0
299.12918	3.1
307.05923	2.0
307.09427	0.9
311.05475	43.7
311.12888	1.6
312.05920	2.1
319.09409	1.3
323.05362	1.4
325.06992	2.8
329.24915	1.0
331.09702	2.7
332.23111	0.7
337.07019	1.1
337.10736	2.4
347.09167	8.6
349.10715	8.2
353.10077	1.3
365.10172	9.8
367.11707	2.7
379.11829	3.0
383.11139	1.2
385.14362	1.1
403.15387	9.8
421.16415	25.4
421.30145	2.0
421.35049	1.4
422.16321	1.1
439.17511	100.0
440.17661	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	439.1596
Annotation	Cnidimoside A
Peak:m/z	Relative Intensity
55.01847	1.1
55.05490	1.0
56.05016	0.5
56.96538	0.6
57.07030	0.5
60.04488	0.7
69.03426	2.3
69.07040	1.0
70.06584	4.1
71.04964	0.7
71.61306	0.7
72.04476	1.3
72.08148	6.0
73.02889	1.2
79.05457	1.1
81.03365	2.0
81.07014	0.7
83.04950	0.7
83.89254	0.5
84.04458	1.3
84.08138	2.5
85.02894	4.0
85.06508	0.9
86.09704	2.9
87.04439	0.6
89.10757	0.7
90.05511	1.8
90.36877	0.5
91.05495	0.9
93.07032	0.7
95.04897	1.3
95.95600	0.5
96.04411	0.4
97.02899	2.2
97.06509	0.6
98.02339	0.8
98.06047	1.0
98.09637	0.9
99.04436	1.1
103.05415	1.1
104.81964	0.5
105.06972	2.1
107.08529	0.5
109.02830	1.1
109.06516	0.8
109.10133	0.9
110.02388	0.6
110.07110	0.6
112.07587	0.9
114.09113	0.8
114.10222	0.7
116.03422	1.1
116.07027	1.8
116.98570	1.1
119.04890	1.8
120.08040	0.7
121.02815	2.0
121.10033	0.5
122.05994	0.6
123.04407	0.8
124.07552	1.4
126.01018	1.9
127.01368	1.1
127.03901	6.3
128.00694	1.1
131.04866	1.8
133.10106	0.7
135.04404	0.9
137.02312	6.6
138.05434	0.7
143.08542	0.9
144.02049	1.9
145.02489	0.9
145.04857	0.5
146.01848	2.3
146.06161	0.5
147.04393	13.2
148.04683	0.9
149.02281	1.7
152.07051	0.6
157.06448	0.6
162.05331	0.6
163.03882	3.4
166.08533	0.5
167.07167	0.5
167.08534	0.9
169.01859	0.5
171.08017	2.3
175.03873	5.0
184.09622	1.5
193.04951	34.3
194.05235	0.5
195.07997	0.8
198.06696	0.8
199.07570	0.5
200.04681	0.7
201.00661	1.1
202.10716	3.6
211.09723	0.7
213.05489	0.5
213.09016	2.5
218.11739	2.0
219.01770	1.1
219.11899	0.9
220.11722	1.2
223.07614	0.6
226.06288	3.5
235.14346	3.8
235.64503	0.9
239.06982	0.8
240.47937	0.5
241.08568	100.0
242.08891	4.5
242.11200	0.7
243.08771	0.9
259.09641	82.9
260.09998	3.3
262.12662	0.8
277.15399	2.2
295.05966	1.4
307.07751	1.5
308.06943	2.0
325.07098	1.8
328.13782	2.5
346.14935	1.1
351.03821	0.7
364.15955	1.9
365.10190	0.5
379.08237	0.7
421.08981	1.2
421.14862	10.4
421.20462	0.7
422.15082	0.6
439.10303	4.7
439.16397	1.5
439.24817	1.0
440.10364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.4
58.06590	1.1
65.03954	1.2
67.05492	1.6
67.76360	0.7
69.03408	3.1
69.07053	1.5
70.06590	9.7
71.04990	1.3
72.04482	0.7
72.08153	11.9
73.08471	0.9
75.07594	0.9
76.02206	1.4
79.05487	1.5
81.03408	2.2
81.07027	1.0
83.04963	1.2
84.04518	1.0
84.08128	3.2
85.02894	5.3
85.06542	1.2
86.09689	5.0
89.10765	1.1
91.05473	4.5
95.04933	2.6
95.08585	1.0
96.08068	1.2
97.02876	2.8
97.06499	0.8
98.06042	1.2
98.09700	1.0
99.04442	1.3
102.25471	0.9
103.05477	0.9
105.07016	2.5
107.04953	2.0
107.08577	1.9
109.02868	2.1
109.06519	0.7
109.10142	1.2
110.02425	1.1
110.06007	1.5
110.07140	1.1
112.07625	1.3
114.09181	1.6
114.10248	1.0
116.07089	4.8
116.98663	1.1
119.04919	5.3
121.02849	3.8
121.10075	1.4
122.06008	1.0
123.04352	1.2
123.07985	1.0
127.03903	5.6
129.10161	0.8
130.04982	1.2
131.04904	2.2
131.11781	1.7
133.10100	1.0
137.02332	6.7
137.05965	1.0
138.05515	1.1
145.02823	0.9
145.06400	1.1
146.06064	1.1
147.04391	33.4
148.04770	3.7
149.02299	2.7
151.03937	0.9
152.07127	1.4
158.05991	3.2
160.07564	2.1
160.83633	0.9
163.03889	3.0
167.03293	0.9
171.08011	2.9
172.07544	2.1
173.13179	0.8
174.09109	1.0
175.03941	3.9
175.07578	1.1
177.05432	2.3
177.56853	0.8
185.09639	1.0
191.14273	1.2
193.04955	34.0
193.06717	1.8
195.08014	1.3
198.09151	0.8
201.00635	2.5
201.10167	0.9
205.04967	1.0
209.15305	1.8
213.09102	2.6
216.10205	1.4
218.11789	3.5
219.11382	2.9
223.07440	1.3
223.09497	0.9
226.06203	3.6
227.13190	1.2
235.14342	4.7
235.64555	3.4
236.14693	2.2
239.06935	1.0
241.08569	100.0
242.08826	1.5
259.09641	84.7
259.14185	2.8
260.09869	2.1
272.12534	0.9
277.12399	1.5
277.15350	8.2
287.04965	0.9
290.13696	2.0
292.08060	0.9
295.06012	2.8
307.06036	2.1
321.07489	1.1
325.07031	5.4
327.93173	0.8
332.15933	1.0
337.07013	1.0
347.08633	1.2
349.18130	5.9
351.08026	0.9
365.10159	1.7
375.08643	1.1
381.16544	3.2
391.07971	1.4
392.76642	0.8
421.09058	1.9
421.14825	12.7
421.20404	0.9
432.54929	1.0
439.10202	5.9
439.16641	4.2
439.21570	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1593
Annotation	Cichorioside J
Peak:m/z	Relative Intensity
51.29165	0.7
55.01801	1.1
55.05467	1.3
56.96486	0.7
57.03363	1.9
61.02868	1.7
67.05412	3.8
69.03345	3.8
69.06994	2.2
70.06502	4.1
70.14774	0.8
70.61378	2.1
71.04897	2.1
72.08067	5.8
73.02857	0.9
79.05419	2.6
81.03320	3.0
81.06960	2.8
83.04906	1.0
84.04427	1.3
84.08059	3.3
84.08517	0.8
85.02902	9.6
85.06532	3.5
86.09647	1.8
91.05476	3.5
93.06952	2.7
95.04890	2.1
95.08593	3.8
95.09068	0.7
96.04404	0.9
96.08090	0.8
97.02874	4.1
97.06467	1.0
98.05974	1.7
99.04391	0.8
101.05966	0.8
103.05366	0.9
105.07017	3.6
107.04864	2.3
107.08502	2.6
109.02809	1.3
109.06457	0.9
109.10072	2.8
110.05927	0.7
111.04376	1.2
116.98550	0.8
119.04856	3.1
119.08489	2.3
120.08111	3.6
121.02868	5.7
121.06418	1.3
121.10090	1.7
123.04352	1.7
123.08021	0.9
124.07507	0.9
126.09097	0.7
127.03894	4.9
128.07021	1.1
130.06474	1.3
131.04855	2.4
133.04999	0.7
135.08081	0.7
137.02345	7.0
137.05890	1.6
137.09520	1.1
138.05496	4.9
140.07011	0.8
143.08453	1.3
145.04886	1.2
145.10081	1.2
147.03409	0.8
147.04388	12.1
147.11609	1.0
148.07571	0.8
149.02309	1.8
149.09535	1.5
149.13152	1.1
151.07487	0.7
157.10875	1.2
157.12097	1.0
159.11604	0.8
161.05881	1.0
161.13197	0.7
163.03857	2.7
167.03516	0.7
167.06952	1.9
167.08467	1.5
167.10539	0.7
171.07990	2.5
175.03874	5.0
177.01848	0.9
177.05359	0.9
178.08571	1.0
179.03334	0.7
179.63983	0.7
183.06447	0.8
184.50690	0.7
189.01807	2.7
193.04950	33.4
195.08049	1.1
198.06795	0.9
205.09978	0.8
207.02852	2.8
213.05466	0.9
213.09052	2.8
213.12555	0.8
223.07503	1.3
226.06187	3.4
235.55609	0.8
237.02815	0.8
239.07028	1.6
241.08574	100.0
242.08884	3.4
259.09647	93.3
260.09967	4.9
277.10693	2.0
277.15366	3.4
279.06644	1.0
293.08246	0.8
294.05228	2.9
295.05832	4.1
297.07446	1.4
307.06003	17.4
308.06671	4.6
309.07516	2.2
320.06860	1.2
321.07581	3.7
325.07013	4.6
331.22934	0.9
333.07761	1.5
337.06870	5.2
347.09198	1.2
349.07153	2.4
349.23572	0.9
350.07919	1.0
351.08844	1.4
355.08044	0.9
367.25024	1.4
375.08585	1.2
379.08389	2.3
391.07993	5.4
393.09836	0.9
394.22070	0.9
403.08325	2.3
406.16473	0.9
409.09464	2.8
421.09253	8.8
439.10394	22.5
439.15924	3.7
439.20856	5.7
440.10812	3.5
440.17111	1.4
440.23126	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	438.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01873	0.4
55.05510	0.8
56.96545	0.4
57.03411	0.4
57.07043	0.3
67.01923	0.4
67.05499	1.4
69.03419	0.7
69.07049	1.0
70.06567	0.7
70.23301	1.0
70.23719	0.7
71.04990	0.5
72.08143	0.9
78.04716	0.7
79.05486	1.8
79.15654	0.3
81.03404	0.6
81.07050	2.5
83.04994	0.4
85.02894	1.3
85.06528	0.4
91.05482	1.9
92.05781	0.4
93.07034	1.4
94.07362	0.6
95.04975	0.9
95.08585	2.0
96.08942	0.6
97.02892	1.0
97.06513	0.5
98.97549	0.3
99.04485	0.4
103.05486	0.4
105.07032	3.3
106.04185	0.5
107.04931	1.2
107.08588	1.2
109.02866	0.9
109.06487	0.4
109.10156	1.6
115.05449	0.6
119.08610	0.8
120.08886	0.6
121.06480	0.7
121.10139	1.0
123.04433	2.9
123.11681	0.5
124.05198	1.2
127.03901	0.9
131.08585	0.6
133.06482	2.7
133.10110	1.0
135.08119	0.3
135.11693	0.7
137.05960	1.0
143.06163	0.4
145.10072	0.8
147.04388	1.0
147.11676	0.6
149.05997	0.7
149.09486	0.4
151.03914	0.8
152.04674	1.1
159.11636	0.5
161.05975	5.0
163.07594	0.3
167.07037	100.0
168.07375	2.1
173.13315	0.6
174.13576	0.3
177.05450	0.9
181.08694	0.6
193.08612	8.2
211.09647	7.9
237.18359	0.3
272.49240	0.4
315.74155	0.3
323.97397	0.4
335.67062	0.4
338.07559	0.5
420.28128	0.5
420.33228	0.5
438.16135	1.4
438.34625	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	438.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67088	0.2
52.76332	0.2
53.03930	0.3
53.78915	0.2
55.01852	0.3
55.05497	0.3
63.70980	0.3
65.03942	0.4
67.05482	0.8
69.03421	0.4
69.07043	0.8
70.06579	0.4
72.08144	0.4
78.04693	1.0
79.05482	1.3
81.03395	0.7
81.07047	1.0
85.02892	0.7
91.05465	0.9
93.07050	0.7
95.08582	1.0
97.02882	0.6
99.04449	0.3
100.70958	0.2
103.05463	0.4
105.07010	2.0
106.04179	0.6
107.04967	0.6
107.08577	0.6
109.02876	0.3
109.10130	0.7
119.04927	0.3
119.08555	0.6
120.08064	0.3
121.06500	0.5
121.10148	0.3
123.04422	2.7
124.05202	0.9
125.05970	0.5
127.03893	1.0
131.08600	0.3
133.06493	1.6
133.10081	0.8
134.03609	0.3
145.10092	0.6
147.04407	0.9
148.12128	0.3
149.05981	0.7
151.03888	0.5
152.04697	1.2
161.06000	2.4
161.13144	0.3
165.09081	0.3
167.07028	100.0
168.07323	1.5
177.05414	0.4
179.06972	0.6
181.08632	0.8
193.08591	6.3
196.69797	0.2
211.09657	7.3
301.29657	0.2
323.04941	0.3
338.07431	0.7
373.20547	0.3
438.16061	0.7
438.34537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	1.2
55.05510	16.7
57.07071	7.9
67.05502	12.9
67.15578	1.3
69.03450	1.8
69.07057	25.9
69.56206	9.3
71.08606	2.8
71.72867	1.1
79.05479	6.3
81.07052	21.6
83.04973	17.4
83.08608	14.4
85.06544	1.7
91.05470	7.2
93.07027	11.6
95.04971	1.6
95.08594	26.9
97.06513	1.6
97.10168	11.1
105.07032	10.8
107.08569	11.7
109.06504	9.4
109.10152	15.0
111.08079	3.0
111.11718	3.9
117.06986	1.5
119.08564	10.1
121.06493	2.5
121.10130	10.2
123.08084	6.1
123.11662	7.2
125.05982	4.0
125.09641	2.0
125.13221	1.5
129.06937	2.1
131.08545	3.8
133.10103	7.2
135.08034	4.5
135.11658	6.1
137.05962	35.1
137.13202	3.1
139.07547	4.5
139.18823	1.4
143.08543	2.3
144.09236	1.1
145.10094	6.5
147.08047	1.2
147.11664	6.1
149.09630	1.9
149.13232	3.8
151.07562	9.5
151.11174	2.5
153.09042	1.7
155.03403	2.3
155.07014	7.7
155.08351	1.9
157.10077	3.0
159.11687	6.1
161.09622	6.1
161.13277	4.7
163.11163	1.3
163.14842	2.3
165.09142	3.5
167.10727	1.5
169.10143	1.8
171.11674	1.9
173.13216	3.6
175.11156	4.6
175.14822	3.2
177.04263	3.3
177.12773	2.9
177.16287	2.4
179.10674	4.6
183.11710	1.8
185.13269	1.6
187.11218	2.2
187.14828	3.0
189.12741	5.6
189.16296	3.4
191.14302	1.8
191.17915	1.9
193.12230	5.5
199.14827	3.2
201.16324	3.5
205.12320	1.3
207.13757	3.6
211.14975	1.4
213.16312	1.7
219.17409	1.7
221.15295	2.6
227.17871	1.3
237.16417	1.5
249.18558	1.4
263.20099	1.5
303.20157	2.1
313.33313	1.3
321.21280	1.4
383.32999	2.3
391.33908	2.2
401.34152	21.7
402.34158	1.4
419.35236	100.0
420.35611	3.3
437.25104	1.5
437.35049	27.6
438.35709	1.5
448.73828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3622
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol
Peak:m/z	Relative Intensity
53.03924	1.3
55.01871	0.8
55.05507	15.4
57.03413	1.4
57.07071	6.9
64.51300	0.6
66.28547	0.6
67.05499	9.0
69.03419	1.2
69.07061	23.5
71.08623	4.5
79.05478	4.7
81.07049	18.6
83.04974	18.0
83.08135	1.0
83.08609	12.9
85.06516	1.1
85.10152	1.8
91.05458	5.0
93.07034	10.2
95.04955	2.2
95.08593	17.3
97.06542	1.1
97.10167	7.3
105.07026	4.9
107.08588	6.9
109.06511	9.4
109.09465	0.7
109.10158	8.9
111.08087	2.9
111.11715	2.9
119.08568	6.6
121.06487	1.3
121.10138	5.1
123.08047	4.6
123.11681	4.4
125.06017	2.9
125.09605	0.8
125.13245	1.2
131.08549	1.8
133.06488	0.8
133.10107	4.4
135.08052	4.0
135.11700	2.2
137.05963	38.5
137.09612	2.1
137.13245	2.1
139.07500	3.5
143.08542	1.6
145.10110	3.5
147.11667	2.9
149.09610	2.3
149.13255	2.3
151.07527	7.0
151.11169	1.3
151.14842	1.0
153.09108	1.3
155.07016	6.8
155.08324	1.1
156.09363	1.0
157.10095	2.2
159.08110	0.6
159.11700	3.9
161.09599	7.0
161.13266	2.9
163.11160	1.5
163.14807	1.0
165.09154	3.9
165.12735	1.0
169.10056	1.0
171.11697	2.3
173.09695	1.3
173.13264	1.6
175.11150	3.8
175.14774	1.4
177.12776	1.9
177.16373	1.1
179.10680	3.9
179.14362	1.1
179.17860	0.6
181.12158	0.9
185.13177	1.0
187.11217	2.6
187.14789	0.7
189.12708	3.9
189.16446	1.8
191.10768	1.0
191.17920	0.8
193.12233	3.4
199.14763	0.9
201.16341	1.0
203.14169	0.8
203.18045	1.1
205.12321	1.5
205.15894	0.7
207.13792	3.0
215.14279	0.6
215.17892	0.6
217.15916	0.6
219.13649	0.8
219.17470	0.7
221.15338	1.4
231.17444	0.7
235.16864	0.8
249.18460	1.3
254.32599	0.6
263.20059	1.3
275.20056	0.9
277.21539	1.0
291.23093	0.7
373.34854	1.1
383.33038	2.7
401.34128	18.9
402.34488	1.1
419.35156	100.0
420.35382	3.5
437.36304	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.1
55.05505	11.9
57.03431	6.6
57.07066	28.4
65.03929	3.0
67.05481	6.7
69.07050	21.8
69.72613	3.0
70.79880	3.4
70.80212	8.5
71.08636	20.1
79.05495	5.4
81.03391	2.9
81.07055	19.4
83.04980	39.5
83.08619	12.2
85.06586	3.4
85.10170	14.0
93.07035	5.5
95.08596	17.5
97.06518	3.8
97.10154	12.5
99.04443	13.7
101.68363	2.8
105.07027	6.4
107.08562	5.3
109.06528	5.9
109.10181	6.2
111.04426	54.1
111.11706	5.0
113.05983	2.9
117.05575	4.4
119.08581	4.1
121.10092	3.5
123.08043	5.2
123.11708	3.2
125.05997	8.9
127.03905	30.8
129.05492	15.3
137.09624	3.6
141.05469	7.2
147.11641	3.5
151.07497	5.1
153.05418	31.0
153.09088	3.5
159.06583	4.0
171.06628	16.6
177.16273	3.0
193.08287	3.0
195.13954	4.3
213.11189	3.7
227.12802	7.0
269.17401	4.3
283.18970	4.0
297.20474	5.4
311.22147	10.2
325.23810	4.7
339.25470	4.4
347.29462	12.3
381.29910	3.8
383.98898	4.0
399.28940	3.1
419.35077	6.8
437.36273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3622
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S)-tetrol
Peak:m/z	Relative Intensity
53.03951	1.1
55.01869	2.6
55.05506	11.2
57.03432	2.3
57.07069	4.8
65.03943	1.3
67.05498	20.8
69.03429	1.1
69.07066	18.6
69.70758	4.7
71.08641	2.1
79.05475	5.7
79.41620	0.6
81.07048	30.1
83.04984	2.2
83.08614	9.6
84.48475	0.6
85.06550	2.1
85.10220	0.7
88.46942	0.6
91.05462	9.2
93.07034	41.4
95.04960	3.6
95.08598	49.0
97.06535	3.7
97.10161	5.8
105.07017	8.6
107.08585	13.2
109.06536	2.4
109.10141	17.7
111.08070	16.8
111.11743	2.5
116.58875	0.6
117.06987	1.1
119.08562	11.1
119.09346	0.8
121.06518	2.6
121.10134	7.9
123.04492	3.0
123.08047	5.6
123.11686	8.4
123.12421	0.6
125.05980	0.8
125.09669	2.1
127.07574	3.9
128.48582	0.6
129.06979	0.8
131.08572	3.3
133.10097	8.3
135.08075	2.5
135.11687	5.0
137.09688	2.5
137.13283	4.9
139.07523	19.5
142.07780	0.9
143.08612	2.1
145.10097	6.5
147.11699	4.7
149.05920	0.9
149.13255	5.0
151.11157	7.9
151.14882	1.7
153.09085	14.0
157.08659	6.2
157.10168	3.8
159.11656	5.6
159.37288	0.7
161.09648	0.8
161.13257	3.4
163.07617	0.8
163.11331	0.8
163.14868	1.7
165.09120	4.0
165.12802	1.3
166.82664	0.7
167.10661	7.0
169.10190	1.2
171.11665	3.3
173.13219	3.8
175.11215	1.5
175.14824	4.9
177.09065	0.7
177.16429	2.2
179.10701	2.8
181.12224	6.1
183.11729	1.3
185.13280	1.2
187.14868	2.8
189.12782	1.5
189.16319	4.8
191.17986	1.9
193.12332	3.1
195.13782	7.9
195.15413	0.9
197.13347	1.0
199.14891	1.5
201.16359	4.4
203.14487	1.1
203.17975	4.6
205.12346	0.7
207.10286	0.8
207.13777	9.8
209.15428	1.6
211.15025	0.7
213.12764	0.7
215.18057	1.7
217.19516	1.0
219.13783	0.8
221.15451	2.4
223.16965	0.8
227.18051	1.4
229.19681	1.2
235.17088	1.4
237.18587	0.9
239.18001	0.9
241.19588	0.9
243.21213	0.8
247.17030	2.7
249.18541	0.9
255.21227	1.1
265.21747	1.1
275.20123	1.3
277.21875	1.2
295.24139	1.6
299.20166	1.5
319.26410	0.9
335.10001	0.8
339.26645	0.7
347.17264	1.0
381.09464	0.8
383.33374	1.0
391.33865	2.3
401.34177	10.5
403.26266	0.8
404.12820	1.5
419.14862	15.2
419.35193	41.5
420.15515	2.1
437.16141	2.1
437.36255	100.0
438.36502	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	437.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	19.0
55.92233	5.0
57.03431	6.7
57.07075	25.3
59.35740	4.1
67.05489	8.9
69.07067	47.8
69.07415	7.1
69.97007	27.4
71.08635	23.6
71.25582	4.5
73.06028	4.8
81.07030	14.9
83.04951	9.3
83.08604	39.8
85.10155	13.4
85.49065	4.4
89.06023	4.9
93.07050	9.6
94.69515	5.3
95.08610	29.7
97.10154	26.9
99.04452	17.6
107.08595	15.4
109.10161	14.5
111.04445	13.6
111.11716	17.0
119.08569	12.1
121.10146	6.1
123.08002	6.2
123.11674	8.5
129.05528	6.0
133.10118	5.7
135.11655	9.7
141.05460	9.0
149.09586	5.0
151.07541	7.0
151.14885	5.3
153.05466	22.2
171.06572	7.0
193.96391	5.0
229.86166	4.5
279.97379	5.2
329.28308	18.0
347.29425	100.0
377.34027	9.8
419.35141	58.5
437.34143	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01886	1.5
55.05508	14.4
57.07068	5.6
65.03953	1.7
67.05159	1.9
67.05502	22.7
69.03429	3.8
69.07061	21.7
69.56832	7.7
71.04988	1.8
79.05488	19.3
81.03418	1.6
81.07053	50.0
83.04980	2.6
83.08624	8.9
85.02915	2.3
85.06538	1.9
91.05471	23.6
91.06001	2.0
93.07040	45.3
95.04984	5.7
95.08604	80.8
97.02886	2.5
97.06528	2.8
97.10172	6.6
98.21471	2.0
99.04469	1.4
99.08093	1.4
103.05533	2.2
105.07025	55.6
107.04972	1.5
107.08592	57.9
109.02879	1.2
109.06516	5.5
109.10151	50.5
111.08075	6.3
111.11731	1.8
115.05444	2.4
117.07005	13.1
119.04890	1.2
119.08572	61.5
121.06494	3.6
121.10139	43.5
122.10476	1.5
123.04415	1.0
123.08073	2.8
123.11706	17.9
125.06000	3.4
125.09618	2.4
127.03941	1.4
128.06218	2.6
128.19107	1.0
129.07005	7.3
130.07768	2.7
131.07570	1.7
131.08557	33.4
133.06451	3.2
133.10126	34.0
135.08043	4.0
135.11678	27.7
137.05962	2.1
137.09627	2.9
137.13234	8.3
139.11185	1.1
141.06958	2.7
142.07791	4.2
143.08546	17.5
144.09344	2.7
145.06441	1.7
145.10114	53.8
146.10739	1.2
147.04410	2.3
147.08037	7.3
147.11682	30.4
147.27092	1.0
149.09656	2.7
149.13246	21.8
151.03917	1.1
151.07550	1.3
151.11174	1.7
151.14847	1.7
153.05573	1.0
153.09047	1.9
154.07765	2.2
155.08540	10.1
156.09331	4.0
157.10117	19.7
158.10881	2.9
159.08061	2.9
159.11684	42.8
160.12561	1.1
161.09630	3.2
161.13260	20.2
162.13771	1.2
163.07550	1.1
163.11194	2.8
163.14819	9.0
165.07022	1.4
165.09094	2.0
165.12653	1.2
165.16348	1.0
167.07063	3.0
167.08598	3.0
168.09369	1.7
169.10121	12.8
170.10863	2.9
171.08101	1.3
171.11684	16.8
171.13106	1.2
173.09653	6.3
173.13260	21.1
175.11234	5.4
175.14813	13.7
177.05603	1.6
177.09079	1.7
177.12799	3.4
177.16367	9.8
179.14291	2.4
181.10120	4.0
182.10925	3.9
183.11676	8.3
184.12521	0.9
185.13243	13.4
186.14030	1.2
187.11148	4.9
187.14809	15.4
189.12784	3.8
189.16373	24.2
191.10681	3.7
191.14316	3.2
191.17941	43.1
193.12193	4.8
194.27870	0.9
195.11682	3.8
196.12459	2.6
197.13258	8.7
198.13812	1.0
199.14793	11.7
201.05597	0.9
201.12741	3.1
201.16368	28.0
203.14351	6.7
203.17955	22.9
205.12250	1.6
205.15874	3.4
205.19511	3.7
207.11914	1.2
207.13867	2.2
207.17490	1.3
209.13345	2.2
211.14801	10.4
213.16360	7.4
215.14328	5.0
215.17909	11.9
217.12299	1.2
217.15919	3.4
217.19447	5.6
219.13800	5.7
219.17465	4.0
221.15276	1.8
223.14825	2.3
225.16429	3.5
227.17899	7.0
229.15865	10.1
229.19449	7.6
231.13885	1.2
231.17473	3.9
231.21156	3.4
233.15402	4.5
239.17900	2.0
241.19542	4.3
243.17503	1.9
243.21028	5.2
245.15344	1.4
245.22856	1.6
247.16867	11.8
251.18130	2.0
253.19542	2.0
255.21123	3.3
257.18909	1.2
257.22729	1.4
259.16995	1.9
261.18491	1.8
265.19537	1.9
267.21155	2.9
269.19168	1.1
269.22641	3.4
271.17050	1.3
271.20505	1.6
273.18488	2.4
275.20294	1.1
279.20874	1.3
281.22571	2.4
283.20383	1.6
283.24188	1.7
285.18539	3.0
285.21878	1.4
287.20062	2.2
293.22787	1.3
295.05847	1.2
295.24222	3.5
299.20035	3.6
299.23315	1.2
301.21692	2.2
313.21698	1.8
321.25644	1.3
325.21179	1.0
327.23199	2.2
334.13474	1.3
337.07153	1.7
341.24796	1.6
365.10135	2.3
367.26175	1.2
379.29886	1.3
381.27805	1.6
391.33600	13.3
395.29404	2.3
401.32120	2.4
409.34753	2.7
419.14856	1.7
419.27859	0.7
419.32996	18.0
437.16476	9.2
437.34161	100.0
438.34317	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03936	3.3
53.83614	1.2
55.05503	14.8
56.96558	1.1
57.07062	3.9
61.02917	1.8
65.03942	1.5
67.05171	1.4
67.05499	22.1
69.03426	3.6
69.07061	18.8
69.76437	7.1
70.06569	1.6
71.05001	2.2
76.33840	1.2
79.05487	17.1
81.03420	3.2
81.06573	2.4
81.07050	48.8
82.07358	1.7
83.04960	2.6
83.08626	8.2
85.02905	2.8
85.06526	3.2
85.90443	1.1
87.04445	1.6
91.05476	29.5
92.05785	1.1
93.07034	47.1
95.04971	6.5
95.08600	76.1
96.08931	1.5
97.02887	1.3
97.06530	3.0
97.10141	5.6
99.04481	1.6
99.08089	1.1
105.07023	57.9
107.04948	1.9
107.08588	51.0
109.02859	2.0
109.06485	5.8
109.10150	42.7
111.08066	2.4
111.11752	1.3
115.05444	1.5
117.06999	14.1
119.04945	1.5
119.08572	54.1
120.08880	1.4
121.06499	4.5
121.10136	41.1
123.04394	1.3
123.08057	3.9
123.11710	16.9
125.05954	3.9
125.09616	1.4
125.13379	1.1
127.03971	1.7
128.06184	2.7
129.06981	8.5
130.07745	3.5
131.08559	39.1
133.06487	3.2
133.10130	29.3
135.08006	5.3
135.11685	25.5
136.12044	1.1
137.05894	2.7
137.09625	3.3
137.13234	11.8
141.06990	3.4
142.07759	5.1
143.08548	18.2
144.09338	4.0
145.06473	2.3
145.10107	54.5
147.04346	1.3
147.08035	12.5
147.11681	25.8
149.05975	1.4
149.09616	3.9
149.13237	15.8
151.11180	1.4
153.07056	1.4
154.07770	1.9
155.08545	12.8
156.09308	4.3
157.10121	23.2
158.10928	2.5
159.08063	3.5
159.11688	37.5
161.09615	3.2
161.13237	16.4
163.11208	2.2
163.14777	8.8
165.06947	1.2
165.09117	1.9
165.12820	2.0
167.07059	3.9
167.08525	2.5
168.09340	3.7
169.10121	16.8
170.10863	2.8
171.11674	20.3
172.12314	1.4
173.09608	7.5
173.13254	23.8
174.13834	1.1
175.09810	1.6
175.11115	7.5
175.14801	10.7
176.15219	1.2
177.09189	2.3
177.12776	2.2
177.16356	5.9
179.07059	1.3
181.10046	2.6
182.10922	4.1
183.11668	9.6
185.13254	12.7
187.11171	7.0
187.14803	16.9
189.12785	5.3
189.16386	17.8
191.10619	2.7
191.17931	58.0
193.10519	1.4
193.12270	5.1
195.11697	2.4
195.13785	1.8
196.12489	2.1
197.13234	9.2
199.14841	9.2
201.12717	3.5
201.16380	20.8
203.14322	4.9
203.17955	20.2
205.12253	1.9
205.15862	1.9
205.19493	4.0
207.13882	3.0
209.13277	2.9
211.14828	13.2
213.12814	2.1
213.16357	5.0
215.14299	5.3
215.17941	3.7
217.15901	3.7
217.19514	6.6
219.13762	8.5
219.17371	2.6
221.13388	2.5
223.14891	1.6
225.16309	2.5
227.14285	2.1
227.17944	2.6
229.15857	14.1
229.19524	5.2
231.13786	2.3
231.21085	5.3
233.15344	3.3
237.16362	1.9
239.17981	2.4
241.15942	1.4
241.19519	3.0
243.21080	3.4
245.15283	2.2
245.22574	2.1
247.16873	15.9
251.18141	2.2
251.34462	1.1
255.21069	2.4
257.15475	1.4
257.18802	1.5
257.22595	2.0
259.16940	2.8
265.19632	1.4
267.21191	1.9
269.22684	3.4
275.09140	3.9
279.21094	1.6
285.18619	2.8
287.20178	1.7
299.20056	3.4
301.21674	2.6
322.04636	2.1
337.07059	4.0
356.40851	1.3
381.27850	1.2
395.29520	1.3
401.32025	2.8
409.34369	1.4
419.15253	1.5
419.28046	2.1
419.33072	17.7
437.16394	8.2
437.34140	100.0
438.34351	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
54.99394	1.2
55.01866	2.5
55.05505	11.9
57.07059	5.0
61.02902	1.9
67.05497	25.4
69.03433	1.7
69.07062	16.9
69.89346	2.5
69.89761	6.7
70.06577	1.5
71.04990	1.6
73.84933	1.7
79.05486	17.4
79.65213	1.6
81.03413	3.4
81.07052	46.5
81.88887	1.4
83.04971	3.6
83.08606	8.9
85.02886	2.5
85.06474	1.8
91.05465	29.3
93.06461	2.8
93.07035	48.4
95.04956	5.2
95.08598	72.8
97.02869	2.6
97.06537	2.0
97.10159	5.4
99.04431	3.0
103.05488	2.0
105.07024	64.4
107.04964	2.1
107.08581	48.0
109.06480	5.2
109.10146	42.7
110.10439	1.5
111.08070	2.6
111.11715	1.7
115.05456	1.9
117.06997	13.8
119.04934	1.5
119.08567	61.1
121.06532	3.2
121.10127	43.6
123.08054	3.3
123.11702	16.0
125.06006	4.0
125.09593	2.0
127.03895	3.1
128.06227	5.0
129.06989	6.9
130.07819	2.3
131.08556	41.5
132.08864	1.7
133.10120	31.9
135.08069	4.4
135.11679	23.9
137.05933	1.6
137.09616	2.8
137.13264	9.9
141.06984	3.6
142.07784	4.4
143.08546	19.8
144.09325	3.7
145.06454	2.5
145.10107	55.3
147.04416	1.7
147.08057	11.9
147.11682	28.2
149.09625	3.9
149.13245	20.2
151.14792	1.8
154.07768	3.0
155.08556	13.8
156.09303	5.0
157.10133	20.0
158.10838	3.3
159.08096	3.3
159.11682	35.0
161.09647	4.3
161.13248	16.2
163.11189	3.2
163.14786	8.3
165.09113	2.9
165.12672	1.7
167.08514	3.5
168.09233	3.5
169.10097	15.0
170.10928	2.2
171.11652	17.1
172.12393	3.1
173.09604	7.6
173.13248	21.4
175.11130	7.6
175.14786	12.4
177.09172	1.5
177.12718	1.9
177.16359	6.9
181.10095	4.4
182.10867	5.5
183.11656	9.8
185.13258	14.8
187.11180	8.1
187.14821	17.5
189.12776	4.6
189.16353	17.5
191.10722	4.1
191.14374	2.4
191.16153	2.9
191.17934	60.1
192.18428	2.0
193.10371	1.2
193.12254	6.7
195.11740	3.4
196.12454	3.5
197.13300	8.6
199.14804	9.1
201.12775	4.5
201.16353	22.2
203.14275	7.3
203.17920	20.6
203.19679	1.9
205.12169	2.0
205.15906	1.6
205.19504	4.2
207.13788	3.3
211.14822	12.8
213.16438	5.1
215.14331	4.8
215.17979	7.0
217.15924	3.6
217.19508	6.5
219.11949	1.6
219.13788	7.3
219.17389	2.7
223.14789	2.7
227.17949	3.0
229.15872	17.0
229.19357	7.0
231.13863	3.2
231.17462	2.2
231.21133	4.8
233.15349	4.8
241.15756	1.6
241.19514	2.0
243.21111	5.8
245.15384	2.9
245.22581	2.3
247.16901	15.3
253.19450	1.5
255.21043	3.2
259.16953	1.9
269.22607	3.0
271.20770	1.6
283.23987	1.8
285.18381	3.2
287.20074	3.1
295.05905	3.7
299.20047	3.0
316.12564	2.2
321.07394	1.8
323.09003	2.4
334.13528	10.0
335.09000	1.6
349.10718	4.7
352.14560	3.5
361.10971	2.5
377.13965	4.8
391.15363	3.1
391.33813	2.5
395.14731	2.0
401.13684	2.4
401.26923	2.0
401.31796	3.0
419.15109	1.7
419.28070	2.7
419.33041	16.5
437.16086	20.9
437.34134	100.0
438.16281	3.4
438.34338	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	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03926	1.4
55.05505	8.6
57.07074	5.5
65.03929	1.1
67.05166	1.2
67.05499	16.4
69.03409	1.1
69.07063	18.3
77.03938	0.7
79.05487	12.2
79.05952	0.7
81.07051	44.1
83.04972	0.7
83.08612	6.0
85.02916	0.6
91.05473	11.3
91.06007	1.1
93.07037	25.2
94.07384	0.6
95.04959	2.1
95.08601	71.7
96.08954	0.5
97.06528	1.1
97.10152	4.0
103.05420	0.8
105.07019	27.3
107.05000	0.8
107.08586	42.8
108.08978	0.5
109.06509	2.1
109.10146	31.3
110.10520	0.5
111.08096	1.5
111.11689	1.8
115.05418	0.8
117.07003	5.0
119.08570	39.4
121.06487	0.9
121.10136	30.4
123.04441	1.0
123.10802	0.9
123.11700	18.3
125.05997	0.6
125.09600	1.9
125.29723	0.6
128.06227	1.1
129.07025	2.2
130.07809	1.7
131.08565	16.1
132.09274	0.7
133.10120	26.5
135.08070	1.3
135.11690	17.4
135.12703	1.2
135.41522	0.6
137.09718	0.7
137.13243	21.5
139.99428	0.6
142.07747	1.4
143.08565	6.4
144.09358	2.1
145.06435	0.8
145.10117	34.1
146.10756	1.0
147.04350	0.7
147.08078	0.9
147.11682	28.7
149.09531	0.5
149.13255	12.5
151.11226	0.7
151.14775	3.9
153.09093	1.5
155.08557	1.9
156.09334	1.8
157.10123	10.5
158.10928	2.7
159.11685	33.0
160.12413	1.5
161.02312	0.8
161.09612	1.1
161.13239	23.6
162.13629	0.8
163.07571	0.9
163.11180	1.1
163.14803	9.7
165.09195	0.6
165.12807	1.1
165.16386	0.7
169.10114	2.7
170.10982	1.0
171.11674	10.9
172.12444	1.8
173.13239	18.5
174.13725	1.0
175.07564	1.1
175.11220	1.2
175.14807	12.5
177.12785	0.6
177.16380	9.5
177.17816	0.9
179.10594	0.9
179.17915	0.7
181.10161	0.7
183.11681	4.2
184.12515	0.8
185.13260	13.8
186.14059	0.8
187.14813	21.5
189.12747	3.3
189.16371	17.8
191.10645	2.3
191.17929	26.0
192.18542	0.6
193.10500	0.6
193.12222	2.9
195.02829	1.1
195.11607	0.6
197.13263	4.5
198.13948	1.1
199.14813	8.0
201.16373	35.6
202.16795	1.1
203.10687	1.8
203.17946	17.1
205.12262	2.8
205.15828	0.6
205.19496	1.8
207.13800	7.0
209.13354	0.5
210.14175	0.7
211.14775	5.0
213.05542	0.9
213.16402	7.9
215.14348	0.8
215.17940	5.2
217.12276	2.6
217.15938	1.1
217.19499	3.0
219.13821	7.3
219.17392	2.7
219.20848	0.7
221.15321	2.6
225.16368	3.9
226.17177	3.3
227.17947	7.2
229.15904	1.3
229.19479	9.1
231.13809	4.9
231.20999	4.6
233.15372	8.6
235.16922	1.9
239.17958	4.4
240.18459	0.7
241.15710	1.1
241.19473	5.4
243.06583	0.7
243.13885	0.9
243.17436	0.7
243.21062	4.2
245.15356	3.5
245.22714	1.1
247.16928	23.9
249.18507	0.8
253.19556	1.9
255.21092	5.9
257.15445	2.2
257.22476	1.6
259.16925	12.1
261.18393	1.6
267.21094	1.9
269.22614	7.6
271.16949	4.0
271.24341	0.7
273.18491	5.8
275.20148	0.7
279.21103	0.6
283.16959	0.8
283.24139	3.0
285.18460	8.8
287.09161	1.3
287.20074	9.8
295.05869	0.9
297.25784	1.2
299.20047	7.9
301.21576	1.6
307.24127	0.7
309.07632	1.2
313.21524	6.4
321.07596	0.9
327.23154	1.3
331.09662	1.0
339.23111	1.7
341.24783	1.1
345.11157	0.7
348.10229	0.7
349.10797	2.1
353.24741	4.5
355.26419	1.3
363.12210	4.2
365.10385	1.0
367.26114	2.9
379.11765	0.7
381.28000	2.7
391.33627	4.8
394.28918	0.7
395.29318	1.2
419.15326	6.5
419.32828	1.6
420.15433	1.2
437.16196	8.6
437.34143	100.0
438.16498	0.8
438.34558	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.0
57.03426	1.3
57.07061	3.7
59.79967	1.4
67.05497	18.9
67.34830	1.4
67.68632	1.6
69.03432	1.9
69.07060	12.5
70.16606	7.0
77.48389	1.4
79.05487	11.1
81.06567	3.0
81.07049	40.5
83.04973	2.9
83.08606	6.0
91.04956	1.7
91.05450	10.0
93.07032	22.4
95.04953	3.6
95.08601	54.9
97.06519	2.0
97.10155	2.9
98.21394	2.1
105.07022	23.8
107.08587	37.1
109.06609	1.7
109.10149	30.8
117.07019	5.5
119.08570	30.4
121.10126	25.6
123.04409	4.3
123.11678	14.8
125.09612	2.1
127.65051	1.5
129.07031	2.6
131.08560	14.5
133.10115	21.2
135.11678	17.0
137.13252	15.5
143.08545	6.7
144.09230	1.4
145.10112	28.3
147.11681	23.7
149.09650	4.0
149.13237	11.6
151.14828	1.7
155.08548	2.1
157.10103	9.1
158.10963	1.6
159.11674	23.5
161.13246	15.6
163.11200	1.6
163.14824	10.2
169.10074	2.1
171.11714	6.5
173.13232	13.5
175.07555	2.8
175.14786	11.9
177.16373	6.7
183.11697	2.4
185.13191	9.2
187.14815	16.3
189.16376	17.8
191.10634	1.4
191.17931	20.7
193.12239	2.4
195.02939	3.6
195.11551	1.7
197.13214	3.6
199.14809	8.1
201.16370	31.6
203.17955	17.8
205.12253	3.4
207.13837	5.2
211.14803	3.2
213.16367	8.5
215.17973	6.1
217.12134	1.9
217.19536	3.1
219.13783	6.0
221.15387	2.4
223.14935	1.9
225.16275	2.7
227.06995	1.9
227.17993	4.1
229.19467	7.2
231.13815	2.7
231.21092	4.3
233.15427	8.2
235.16948	1.9
241.19499	3.2
243.21146	4.1
245.15387	3.0
247.16925	16.4
253.19713	1.8
255.21123	3.6
257.22723	1.9
259.16977	7.6
269.22528	7.3
273.18527	5.8
283.24231	2.7
285.18396	5.1
287.19998	5.7
295.06046	3.9
299.20187	7.1
301.21741	1.9
311.05481	21.8
312.05853	1.9
313.21411	3.3
337.10559	2.3
347.09167	6.6
349.10687	6.7
353.10172	2.2
353.24582	3.7
361.10818	2.2
363.08545	3.1
363.12317	11.7
364.12784	2.0
365.10220	5.3
367.26483	3.6
381.09616	2.5
381.28271	2.3
391.15738	2.6
391.33755	3.3
401.13971	3.2
419.14944	17.1
419.33246	3.3
420.15430	4.6
437.16040	39.3
437.25061	2.7
437.34149	100.0
438.16318	5.4
438.34506	5.6
450.09183	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	437.3411
Annotation	Alertenone
Peak:m/z	Relative Intensity
54.02473	1.2
55.05506	8.0
55.43546	1.4
55.87859	1.3
57.07063	6.4
57.44281	1.3
60.02620	1.6
67.05503	13.3
69.07062	15.2
69.56264	5.4
69.56682	6.8
70.07400	1.8
71.08636	2.2
71.99249	1.3
79.05482	9.8
81.07053	31.3
81.82327	1.4
83.08603	7.1
91.05479	6.3
93.07039	17.4
95.08603	59.2
97.10154	4.1
105.07026	17.7
105.22040	1.5
107.08593	25.5
109.06491	2.6
109.10153	27.2
110.41118	1.3
111.08144	1.5
111.11722	2.4
117.07042	3.2
119.08572	32.8
119.09348	2.5
121.10140	20.9
123.11690	12.8
125.57265	1.5
129.07008	2.1
131.08554	11.0
133.10126	20.6
135.11691	10.3
137.13222	8.4
143.08574	4.7
145.10121	28.3
147.11694	14.8
149.09669	3.2
149.13240	11.0
151.14827	6.0
157.10165	6.2
158.10934	1.9
159.11678	18.4
161.13258	11.6
163.14781	8.0
165.09149	1.7
169.10097	2.6
171.11696	9.1
173.13271	13.2
175.11226	1.5
175.14804	16.3
177.09183	2.5
177.16333	6.8
179.17934	1.6
183.11731	4.3
185.13264	5.1
187.14825	11.3
189.16354	18.6
191.17976	12.1
197.13310	3.5
199.14851	7.9
201.16420	17.4
203.17928	15.2
205.19489	2.7
211.14897	2.9
213.16400	6.7
215.17949	11.0
217.15868	2.8
217.19565	4.8
219.17480	1.6
221.15408	3.3
223.14926	2.2
225.16341	3.0
227.17947	4.7
229.15898	2.2
229.19519	4.3
231.17632	2.0
233.15312	1.6
239.18048	5.9
241.19492	16.2
243.21167	5.9
245.15254	1.5
247.16832	7.5
253.19551	3.5
255.21161	4.4
259.16840	2.7
259.20728	2.6
265.19577	1.8
267.21075	3.6
269.22592	3.9
273.18433	2.0
279.21243	1.6
281.22498	1.6
285.18585	8.1
287.20206	4.1
295.24222	2.9
299.20053	4.8
307.24136	2.1
313.21640	4.5
321.25858	1.8
335.27283	2.6
353.24835	2.5
376.70935	1.9
391.33682	16.2
419.33743	6.5
437.16260	1.9
437.34262	100.0
438.34561	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04980	0.3
58.06519	0.4
68.20284	0.2
69.03356	0.7
70.06508	2.3
70.96753	0.4
72.08076	0.7
73.02841	0.2
74.06068	0.9
81.03362	0.3
81.06937	0.2
82.06532	0.2
84.08075	0.3
85.02901	0.8
88.07555	0.4
91.05429	0.3
91.52654	0.1
93.06973	0.6
94.06495	0.2
95.08552	0.3
96.04411	0.3
97.02811	0.4
107.02882	0.2
107.08507	0.4
108.08119	1.0
109.02827	0.4
110.06037	1.1
112.07594	2.4
116.06917	0.1
119.04888	0.2
120.08054	0.2
122.05972	0.5
124.07476	0.3
126.05439	0.2
127.03822	0.6
128.10684	0.9
132.04417	0.3
140.07066	1.4
145.04854	0.2
146.05986	1.1
147.04417	0.9
148.04764	0.2
148.07498	0.3
148.11107	0.5
158.05928	0.2
158.07982	0.4
160.07487	0.5
162.09064	0.3
166.12183	0.4
167.06996	0.3
172.07536	0.2
172.11165	1.1
173.11469	0.2
174.09132	0.3
178.14346	0.2
180.13731	0.6
186.09088	0.3
188.10576	0.2
198.09055	0.2
200.10690	16.9
201.11060	0.4
202.12231	2.2
204.13773	0.5
214.12157	0.5
216.13828	0.5
217.10422	0.2
218.11787	0.8
235.14354	0.4
257.12793	0.4
257.16458	1.9
266.10272	0.2
275.17508	100.0
276.17828	2.5
284.11310	0.5
332.23059	0.2
437.22977	6.0
438.23035	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	437.3409
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
51.31295	1.2
55.05494	4.2
55.74851	1.2
57.07063	1.5
58.63985	1.1
67.05482	4.7
69.03415	2.3
69.06771	1.3
69.07067	15.9
69.58151	5.0
69.58574	4.6
79.05472	3.2
81.07047	12.5
82.48763	1.2
83.04958	4.9
83.08602	2.3
89.06029	1.6
89.43184	1.2
91.05473	2.6
93.07054	6.2
95.04929	1.4
95.08600	18.1
97.10175	1.4
98.21503	1.3
105.07011	4.8
107.08587	9.8
109.06548	1.7
109.10144	10.6
111.11719	2.9
119.07755	1.1
119.08555	6.7
121.10107	8.8
123.08086	1.6
123.11701	3.4
131.08527	2.1
133.10121	5.9
135.08002	6.0
135.11662	4.3
137.09575	4.7
137.13274	3.9
143.08585	2.7
145.10117	6.8
147.11641	3.5
149.09587	8.6
153.05434	2.2
155.05890	1.6
155.07016	10.9
157.10121	2.6
159.11684	3.8
161.09636	4.0
161.13234	1.4
163.11150	4.0
169.10080	1.5
171.11650	4.0
173.09779	1.8
173.13240	4.4
175.11131	2.2
175.14883	1.4
177.12737	2.4
177.16476	1.4
185.13257	2.5
187.11118	1.7
187.14714	1.9
189.12698	3.0
191.14308	1.4
191.17909	1.8
205.19383	1.9
231.13860	1.4
243.21098	2.6
245.22688	4.0
283.24158	1.5
323.27307	1.3
336.07092	1.5
380.26526	1.4
401.32150	2.4
407.32806	1.4
407.64893	1.3
419.33313	9.4
437.34113	100.0
438.34384	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2182
Annotation	Griffithine
Peak:m/z	Relative Intensity
55.02982	0.5
55.05498	1.0
56.64802	0.4
57.04554	4.3
65.03946	0.4
67.05492	0.6
69.03403	1.0
69.04542	0.8
69.07050	0.6
69.51658	2.6
69.52081	1.0
70.06590	7.4
71.04984	0.9
72.08151	39.3
79.05489	0.6
81.03398	1.0
81.07040	1.3
82.02934	0.5
83.05005	0.4
84.08148	0.8
85.02896	1.4
85.06531	0.7
86.09676	1.3
89.10799	0.7
90.95239	0.4
91.05473	6.0
93.07030	1.4
95.08608	0.9
95.18293	0.4
97.01443	0.4
97.02873	0.8
97.07651	4.4
98.02418	0.4
98.05997	0.5
99.08063	0.4
105.07027	1.0
107.04910	1.1
107.08594	0.9
109.06544	0.4
109.10158	0.8
110.02394	24.9
111.09219	2.8
114.10279	7.3
114.38017	0.4
115.05518	0.4
115.08701	0.7
119.04941	14.1
119.08597	0.8
120.08058	0.5
121.02871	0.4
121.06514	0.6
123.04420	0.9
124.03911	0.4
126.10258	1.6
127.03900	1.3
128.11833	43.9
129.10245	1.8
131.04922	1.5
133.10120	0.8
135.11662	0.7
138.05600	0.5
145.05141	0.5
145.06403	0.6
146.05997	0.6
147.04401	60.7
147.11652	0.4
148.04688	0.9
149.13260	0.5
151.08661	1.1
152.07063	19.4
153.01830	0.7
160.07571	20.8
163.03905	0.6
167.07053	1.0
169.09721	3.5
174.05637	0.4
190.27798	0.5
194.09236	1.6
208.10825	0.7
213.09015	0.6
217.13347	5.2
218.11740	5.3
225.13451	8.7
235.14415	1.2
260.13702	0.8
273.17038	4.6
274.15518	1.2
275.08102	0.6
283.06036	0.5
291.18173	5.7
295.06195	0.5
313.07059	0.5
364.15344	0.6
377.64297	0.4
381.18015	2.1
420.19073	0.8
437.21838	100.0
438.22177	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1958
Annotation	1'',2''-Dihydro-O-methylcyclopomiferin
Peak:m/z	Relative Intensity
50.43892	0.4
55.05507	2.3
57.07071	1.1
65.41943	0.4
67.05507	2.9
68.18793	0.5
68.75241	0.4
69.07075	3.2
69.50462	1.2
69.50867	3.1
76.86327	0.4
79.05488	1.5
81.07063	4.9
83.04976	1.2
83.08607	1.4
89.05944	0.4
91.05478	1.3
93.07038	2.9
95.08601	6.4
97.10152	0.9
105.07030	2.4
107.08590	3.2
109.06488	1.4
109.10161	2.3
111.08094	0.9
115.83817	0.4
117.03370	1.3
119.08571	2.0
121.06494	0.8
121.10123	1.7
123.08070	3.8
123.11684	1.1
128.17053	0.4
131.08545	0.9
133.10124	1.7
134.03624	1.1
135.08066	1.1
135.11690	0.9
137.05899	0.6
137.09596	0.6
137.13367	0.6
139.07555	0.7
143.08568	0.8
143.16379	0.4
145.10133	1.0
147.11670	1.2
149.09656	0.6
149.13251	0.8
151.03865	0.6
153.09100	0.7
155.03375	0.5
157.10162	0.4
159.11665	1.2
161.13213	0.5
163.14786	0.6
164.00385	0.4
165.09096	0.6
173.09549	0.5
173.13248	0.7
175.14809	0.9
177.01860	0.6
181.06450	0.5
181.12175	0.9
182.98656	0.4
183.11731	0.6
186.53552	0.5
187.14751	1.0
189.16360	0.7
193.15886	1.7
195.02977	2.4
201.16309	0.7
215.14290	0.6
225.16628	0.5
226.06166	0.6
229.19507	0.6
253.05002	3.2
254.05734	1.2
265.05008	0.5
281.04553	0.5
282.05206	2.0
293.04422	1.1
293.84457	0.4
309.03836	0.8
310.04703	29.7
311.05276	0.8
325.07053	100.0
326.07272	3.3
345.27893	1.6
381.13318	33.1
382.13593	1.5
401.34186	1.3
419.35385	5.9
437.19849	6.5
437.33267	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	437.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.3
55.01805	0.2
55.05473	0.3
57.03378	0.3
60.05579	0.3
61.02845	0.6
64.59745	0.1
67.05456	0.3
69.03347	1.2
70.06511	0.5
71.04945	0.2
71.61924	0.2
72.08074	1.1
73.02848	0.2
81.03327	0.6
81.06979	0.3
84.04453	0.1
84.08047	0.4
85.02901	3.2
85.03365	0.1
86.09636	0.1
87.04415	0.2
91.03880	0.2
91.05403	0.2
93.06944	0.5
95.08591	1.2
97.02881	1.0
98.06024	0.1
99.04378	0.2
105.06947	0.2
107.05994	0.2
109.02810	0.4
110.02303	0.1
110.09623	0.1
112.03866	0.2
114.10191	0.4
115.05327	0.1
119.04891	0.3
119.08520	0.3
119.58547	0.1
120.08038	0.2
121.02769	0.2
122.09567	0.5
124.03941	1.5
124.43868	0.1
125.04652	0.2
127.03897	0.9
131.12915	1.6
131.85556	0.1
136.11179	0.2
137.05841	0.2
138.05405	0.5
138.09023	0.1
144.07974	0.2
145.04865	0.5
147.04387	0.7
150.05443	0.1
152.06908	0.1
153.06523	0.6
160.11128	0.4
162.05409	0.4
163.03851	0.1
164.05679	0.2
164.07033	0.2
165.06528	0.2
168.07555	0.1
172.07544	0.3
181.06024	0.2
186.09081	0.3
187.11870	0.3
188.06992	0.4
188.10689	5.0
190.08543	0.5
204.10202	0.3
214.08569	0.3
216.10167	2.3
217.04915	0.2
217.10770	0.4
218.11710	1.5
219.14871	0.5
219.86002	0.1
226.08482	0.2
230.11761	1.1
245.12860	1.5
247.14398	1.7
257.12872	0.2
275.13870	100.0
276.14224	4.3
295.06082	0.4
303.18576	0.1
313.07053	0.1
321.07297	0.2
335.09155	0.6
389.10358	0.5
391.07864	0.2
437.12424	1.0
437.23703	10.8
438.24097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13445	0.2
53.03964	0.2
55.05503	0.2
57.05769	0.2
61.02908	0.2
62.30449	0.2
67.05486	0.6
69.03403	0.6
69.07053	0.3
69.67748	0.4
69.68150	1.3
70.06580	0.4
72.08141	0.7
73.02896	0.2
74.61495	0.2
79.05473	0.2
80.04988	0.2
81.03413	0.6
81.07040	0.6
84.08136	1.3
85.02892	1.5
91.05457	0.4
93.07001	0.4
95.04941	0.2
95.08593	0.7
97.02875	0.4
98.20727	0.3
105.07022	0.3
107.08560	0.4
109.02829	0.3
109.05252	0.3
109.10159	0.6
110.05995	0.5
119.04894	0.4
119.55945	0.2
121.02885	0.3
122.05966	0.2
122.09657	5.0
124.07552	0.2
126.05469	0.3
127.03870	0.5
132.04436	0.3
133.10020	0.2
145.05127	0.4
145.06425	0.2
146.05998	0.7
147.04338	0.6
148.07542	0.6
154.58694	0.2
155.10713	0.3
159.06766	1.6
164.10677	0.4
165.01837	0.2
167.07124	0.4
172.11183	1.6
173.08275	0.3
173.11711	0.3
174.09135	1.8
188.10687	0.5
192.10222	0.4
200.10687	20.6
201.11095	0.9
202.12221	0.5
212.10597	0.3
214.12239	1.0
228.08598	0.6
229.13339	2.1
231.14896	25.0
232.15277	1.0
246.09798	0.2
257.08167	0.6
257.12839	9.4
258.13141	0.5
275.13867	100.0
276.14212	4.6
283.06183	0.4
283.08670	0.2
284.06296	0.7
285.06552	1.4
286.06836	0.9
287.07092	1.1
314.07654	0.3
315.07562	0.7
316.07809	0.6
317.08078	0.8
325.09857	0.4
339.07605	0.4
341.08090	0.6
353.08679	0.2
371.09155	0.7
381.08612	0.3
383.09058	0.3
401.10184	0.8
417.10849	0.2
419.11490	0.7
419.18158	0.5
437.12686	0.4
437.19049	1.6
437.24710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1593
Annotation	Erysenegalensein F
Peak:m/z	Relative Intensity
51.60523	0.5
51.60795	0.4
55.01823	0.7
55.05470	0.9
65.03866	0.7
67.05494	2.9
69.07023	1.0
79.05432	1.4
81.03365	0.4
81.07070	2.6
83.04909	0.5
87.80470	0.5
89.03896	0.6
91.05438	0.9
93.06972	1.9
95.01255	0.4
95.04918	0.8
95.08538	1.6
98.20744	1.5
101.65014	0.5
105.06979	1.6
107.04940	0.6
107.08537	1.8
109.06436	0.5
109.10084	1.8
117.03413	0.5
117.06979	1.1
119.08514	1.7
121.06427	0.7
121.10139	1.0
123.04385	2.0
123.11626	0.5
131.08531	1.0
133.02800	0.4
133.10089	1.1
134.03595	3.7
135.08005	1.0
135.11656	0.9
137.05963	0.5
137.13203	0.6
140.27040	0.6
143.08556	0.8
145.10052	1.1
147.11707	0.9
149.13213	0.5
151.03804	1.3
157.10132	0.5
157.70418	0.5
159.04349	0.9
159.11635	0.9
163.03926	0.5
171.04495	0.5
171.08040	0.6
173.11638	0.5
173.13181	0.8
175.14708	0.7
179.03337	0.5
183.11710	0.5
185.05952	0.6
187.07544	1.0
187.14757	0.6
189.05440	2.2
189.16283	0.8
197.05646	0.4
213.05466	3.6
215.03337	0.6
217.10042	1.1
230.05592	0.7
231.06433	1.2
245.09561	2.5
247.07550	1.3
261.09137	0.7
262.09940	1.0
264.07800	0.5
273.09100	1.3
275.07007	1.1
275.13754	0.5
289.08594	2.5
290.09305	2.1
293.07898	1.0
299.05435	0.6
300.08063	0.5
301.08649	2.4
303.06482	1.0
305.11700	0.8
307.06107	0.8
307.09567	1.6
310.04733	5.0
311.05453	1.9
317.08041	1.1
318.08850	5.5
319.09634	1.2
321.07541	1.4
322.04626	1.8
322.08438	1.6
323.05377	1.1
325.07013	7.3
328.07117	0.6
329.08298	2.6
330.08466	0.6
333.07333	0.4
333.11191	7.4
335.09094	1.2
336.09976	1.5
337.06955	2.0
337.10678	1.8
345.07312	2.1
345.96048	0.5
346.08331	14.1
347.09018	3.5
349.06918	1.5
350.07932	0.8
351.08582	0.7
353.10065	2.3
361.10678	37.4
362.10934	1.8
363.08618	1.3
364.09372	13.4
365.10120	12.4
366.10672	0.8
379.11725	90.0
380.12091	3.6
381.09735	0.9
395.13922	4.4
419.14755	3.6
437.15912	100.0
437.35016	2.2
438.16196	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	437.1593
Annotation	Artocarpone B
Peak:m/z	Relative Intensity
53.52410	0.4
53.86816	0.4
55.05472	1.1
57.07035	0.6
65.88698	0.5
67.05487	2.8
67.88084	0.5
69.07041	1.1
70.68329	0.6
70.68657	1.0
79.05462	1.4
81.07059	2.7
83.08575	0.7
83.80570	0.5
89.03894	0.6
91.05436	1.8
93.06985	2.1
95.04935	0.7
95.08585	3.1
97.06492	0.9
99.66899	0.4
105.06984	2.0
107.08546	2.0
109.10123	1.6
117.03364	0.9
117.06957	1.1
117.87885	0.5
117.94713	0.4
119.08553	1.7
121.10090	1.6
123.04406	1.5
123.11709	0.8
129.06914	0.7
131.08569	1.3
133.10088	1.3
134.03584	3.4
135.11655	0.9
137.02264	0.9
137.05879	0.6
139.03792	0.6
143.08565	0.5
143.18864	0.6
145.10094	1.1
147.11668	0.8
149.02272	0.5
149.13240	0.5
151.03877	0.5
159.04350	1.0
159.11632	1.3
173.13245	0.5
185.05910	0.7
187.07458	0.8
187.14728	0.8
189.05432	1.9
189.16150	0.5
191.17900	0.5
202.07819	0.5
203.07004	0.8
213.05457	4.6
217.10086	0.9
230.05583	0.9
231.06512	0.8
245.09610	2.6
247.07466	1.0
253.04674	0.5
261.09167	1.7
262.09787	1.9
267.06702	0.7
273.09106	1.6
275.07034	1.4
275.19922	0.7
289.08554	2.0
290.09329	2.5
293.04340	0.6
293.07916	0.8
301.08545	2.8
305.08081	0.8
305.11487	1.1
307.09674	1.4
310.04739	5.3
311.05295	2.0
317.07990	1.8
318.08868	5.2
319.09573	0.8
321.07477	1.1
322.04654	1.7
322.08328	1.2
323.05463	0.7
323.09064	0.7
325.06992	8.0
329.08044	2.6
331.06009	0.6
333.11188	8.5
335.09052	1.2
336.06131	1.1
336.09943	1.5
337.06949	2.3
337.10684	1.9
339.08752	0.5
345.07605	2.2
346.08319	14.3
347.09052	3.8
349.06967	1.2
351.08524	1.5
353.09995	2.4
361.10669	39.7
362.10861	1.4
363.08603	1.9
364.04794	0.7
364.09384	15.5
365.10104	12.8
366.10617	0.9
379.11734	95.8
380.11945	4.1
381.09381	1.0
381.13672	0.6
395.14056	4.0
419.14520	2.6
437.15903	100.0
437.34515	3.7
438.16064	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	437.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08871	0.4
52.01222	0.4
53.03933	0.6
55.01869	0.8
55.05504	1.8
56.96567	0.4
59.04980	0.5
65.03941	0.4
67.05172	0.4
67.05505	6.5
68.99796	0.4
69.03403	0.6
69.07062	2.7
71.04979	0.9
71.36003	1.0
74.91138	0.4
79.05484	2.8
81.00060	0.4
81.03431	1.0
81.06332	0.4
81.07060	6.1
83.04977	1.3
83.08610	1.2
85.02897	0.6
85.06547	1.2
91.05467	2.8
93.07022	4.1
95.04963	1.9
95.08601	6.0
97.06554	0.8
97.10151	0.5
99.04422	0.5
99.08059	0.8
103.05425	0.4
105.07038	3.8
107.04958	1.6
107.08580	4.2
109.02862	0.5
109.06508	1.3
109.10153	5.4
111.08077	0.6
117.07015	1.3
119.08593	3.3
121.02853	2.0
121.06475	0.7
121.10130	3.2
123.04415	3.1
123.08072	0.6
123.11682	1.4
125.05975	0.9
127.03917	1.2
129.06995	1.1
131.08572	2.0
133.10109	3.0
135.04410	1.2
135.08093	1.0
135.11679	2.3
137.02332	2.0
137.05989	1.0
137.09583	1.1
137.13298	0.5
139.11156	0.5
143.08554	1.3
145.06430	0.5
145.10129	2.7
147.04382	1.2
147.08022	0.9
147.11676	1.8
149.09666	0.8
149.13228	1.1
151.03931	0.7
155.08580	0.6
157.10173	1.2
159.04376	0.4
159.08032	0.6
159.11688	1.8
161.05981	0.5
161.13240	1.2
163.11148	1.3
163.14835	0.6
167.06993	0.5
169.06422	0.4
169.10068	0.5
171.11655	0.8
173.09685	0.5
173.11784	0.6
173.13255	1.2
175.07549	1.2
175.11130	0.6
175.14824	1.1
177.16376	0.7
181.08591	0.7
181.10088	0.5
185.13264	1.2
187.14789	0.8
189.16382	0.9
195.02797	0.5
197.13278	0.8
199.07593	0.4
199.09578	0.8
199.14832	0.7
201.16402	0.6
203.17911	0.4
204.02475	0.5
207.03029	0.4
207.06454	0.4
213.05452	1.5
213.16290	0.9
217.08664	0.4
217.15764	0.4
227.06969	0.5
227.12694	0.6
239.06895	0.5
267.06589	0.8
267.10159	0.4
268.07291	1.3
275.20200	0.7
279.06485	0.7
280.07236	0.6
281.08072	2.5
283.05969	0.7
291.06567	0.6
293.08118	1.6
294.05298	1.6
295.05957	4.2
296.06750	1.5
297.07544	4.4
303.09915	0.8
305.11462	0.6
307.06073	4.3
307.09534	0.6
308.06613	2.1
309.07559	3.6
311.05560	1.7
313.06778	0.5
317.08282	0.6
318.08911	1.4
321.07578	16.3
322.08020	0.8
323.09036	0.9
325.07047	10.5
331.09589	1.0
332.10458	0.9
333.11151	1.7
335.09128	9.1
336.09805	3.4
337.07037	5.7
337.10760	1.4
339.08707	0.9
343.09671	1.6
347.09125	0.6
349.10645	3.6
350.07690	0.8
350.11423	1.9
351.08536	1.0
351.12277	4.2
353.10080	0.8
361.10663	4.2
363.08643	1.1
364.09332	0.9
365.10345	2.6
367.11658	1.2
379.11737	100.0
380.12186	2.9
381.09698	0.8
391.15247	1.4
401.13663	0.7
405.13501	2.0
419.15298	3.5
419.27606	0.9
419.32758	1.3
437.15988	13.0
437.24774	3.1
437.34378	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	437.1593
Annotation	Lupinisoflavone L
Peak:m/z	Relative Intensity
50.89023	0.6
55.01870	1.1
55.05493	3.1
56.53805	0.6
57.03403	1.2
57.07068	1.0
59.05006	3.9
67.05500	4.8
69.03410	0.8
69.07049	3.0
69.34037	5.2
69.34461	2.3
75.04459	2.7
79.05487	3.2
81.07056	7.3
83.04969	0.8
83.08629	0.8
85.06517	0.9
91.05468	3.1
93.07053	4.1
95.04976	1.6
95.08598	5.3
97.06527	0.9
98.20709	1.4
105.03403	0.9
105.07007	3.8
107.04940	2.3
107.08596	4.0
109.06488	2.0
109.10161	5.6
115.60466	0.6
117.07008	0.8
119.04950	1.0
119.08575	5.3
121.02837	1.5
121.10127	3.1
123.04420	4.3
123.11665	1.5
129.06989	1.6
131.08568	1.9
133.10110	3.5
135.04422	1.1
135.08002	1.2
135.11684	1.4
137.02365	3.4
137.06004	0.8
139.03871	1.7
141.07062	0.7
143.08542	1.3
145.06451	1.1
145.10120	2.8
147.04375	2.2
147.08006	0.8
147.11656	2.1
149.09624	0.8
149.13235	1.4
151.03859	1.5
153.05556	0.6
153.06918	0.8
157.10077	1.3
159.04440	1.3
159.08047	1.0
159.11690	2.4
161.02313	1.4
161.05971	1.1
161.13242	1.8
163.03932	1.2
163.11160	0.7
163.14792	0.9
167.08392	0.7
169.06647	0.8
171.08076	1.0
171.11613	1.6
173.09708	1.1
173.13217	1.6
175.07578	1.4
175.14853	1.2
181.10225	0.8
185.09634	0.7
185.13278	1.1
186.06667	0.8
187.03899	1.0
187.07430	0.8
187.14900	1.3
189.01956	1.4
189.09134	1.2
189.12704	0.8
189.16362	2.0
191.03265	1.1
193.10217	0.7
193.12064	0.9
195.08095	1.1
195.11705	1.0
196.26338	0.8
197.05927	0.8
197.13316	0.9
199.14824	1.0
201.05615	0.7
201.16441	0.9
203.03448	1.1
203.18034	1.1
207.02913	1.4
211.07491	1.1
213.05481	2.6
213.16382	1.1
215.06921	1.0
219.17403	0.8
225.05473	2.0
225.16513	1.1
227.06990	1.7
227.17900	1.1
229.04787	0.8
229.19429	0.9
231.06541	1.0
243.06578	1.3
265.08356	1.0
267.10175	1.2
279.06555	0.9
279.10159	0.9
285.11276	4.4
288.80392	0.8
290.09564	0.8
291.10168	0.8
295.05930	2.6
299.05573	1.3
305.12000	0.8
307.05981	3.3
309.03738	0.8
309.07483	2.1
311.05511	1.4
321.07535	1.6
323.05560	1.1
325.07022	10.2
331.09598	1.9
333.07257	0.9
333.11060	1.3
335.05127	1.0
335.09146	1.9
336.09891	0.8
337.07062	4.0
337.10678	1.2
339.08780	1.1
347.09082	2.3
349.06964	2.3
349.10764	3.4
350.07864	3.0
351.08426	2.0
351.12332	1.0
359.09085	1.6
361.10727	9.9
363.08600	2.4
363.12283	23.2
364.09329	2.8
365.10138	7.3
371.08994	1.5
377.10135	2.3
379.11752	50.6
380.12112	1.5
381.09537	1.9
383.12695	2.0
385.10440	0.9
391.15411	2.0
393.13470	0.7
401.13757	6.0
419.14871	61.2
419.33066	1.6
420.15240	1.7
437.15891	100.0
437.34476	8.8
438.16190	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	437.1594
Annotation	Broussonol A
Peak:m/z	Relative Intensity
50.44103	0.3
53.03934	0.3
53.93855	0.3
55.05508	0.5
57.07066	0.3
67.05489	0.8
69.03423	0.3
69.07062	1.4
69.81878	0.5
69.82285	1.4
79.05474	0.7
81.07068	1.7
85.46350	0.3
88.67719	0.3
90.85281	0.2
91.05472	0.7
93.07023	0.8
95.04962	0.5
95.08595	1.4
98.21540	0.4
105.03372	0.7
105.07009	1.2
107.04955	1.0
107.08582	1.3
109.06507	0.8
109.10157	0.8
117.06996	0.3
119.08562	1.4
121.02828	0.4
121.06477	0.4
121.10117	0.8
123.04417	0.4
124.15111	0.4
128.74854	0.3
129.07124	0.3
131.08578	0.5
133.06509	0.4
133.10100	1.0
134.03584	0.3
135.04391	0.6
135.11662	0.6
137.02327	0.4
137.06003	0.4
143.08537	0.7
145.02794	0.4
145.06453	0.4
145.10095	1.2
147.04384	0.4
147.08064	0.5
147.11690	0.5
149.05977	0.3
149.09624	0.6
149.13240	0.4
153.05429	0.4
155.08661	0.3
157.10130	0.3
159.11694	0.7
161.09608	0.3
161.13228	0.3
163.03874	1.2
173.06049	0.3
173.13214	0.4
175.07564	0.6
175.14874	0.3
177.01811	0.6
177.05489	1.2
185.13203	0.4
187.14841	0.4
189.01772	0.7
189.05502	0.3
189.16353	0.4
201.16463	0.3
205.01114	0.3
207.02876	0.8
207.06514	0.7
208.06921	0.6
211.07410	0.7
213.05447	0.6
215.03455	0.4
217.01393	0.6
218.93864	0.3
219.10162	0.3
223.93781	0.3
227.07115	0.5
233.04463	2.5
235.02386	0.4
237.05388	0.6
239.06987	0.6
245.04376	0.5
245.08052	0.7
251.05319	1.5
253.08553	0.4
255.06488	0.9
267.06409	0.8
269.08191	0.4
273.07578	0.9
275.19943	0.5
279.06247	0.3
281.07889	0.3
283.06042	0.4
287.09097	1.1
293.07925	0.5
295.05905	1.6
299.05435	0.5
305.04590	0.4
306.05176	0.8
307.09543	0.4
309.07599	0.9
310.04672	0.4
311.05493	4.2
311.08844	0.5
315.10080	0.6
321.07498	0.4
323.05524	2.1
323.09244	1.2
324.06216	0.7
325.06757	0.6
333.07767	0.4
333.11252	1.2
334.04706	0.5
335.05490	0.7
335.09225	0.9
337.06879	0.7
339.04953	0.7
339.08710	0.6
343.09766	0.5
347.09180	0.6
349.07068	1.0
349.10745	0.7
351.04956	2.1
351.08603	0.6
351.12314	0.7
353.10156	1.1
354.07364	1.0
361.06888	0.5
361.10699	3.1
362.11203	0.4
363.08627	1.2
365.10135	0.9
365.14011	0.5
366.07211	3.4
367.08063	3.4
376.12991	0.3
377.13983	1.9
379.07971	1.0
379.12119	3.3
381.09650	3.8
389.10004	2.1
390.10913	1.6
391.15472	0.5
394.14282	0.5
401.13547	0.4
403.12027	0.4
405.13324	3.4
407.11194	3.9
419.14832	4.6
422.13626	6.7
436.30310	0.4
437.15921	100.0
437.34384	1.3
438.16229	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	437.159
Annotation	Kraussianone 7
Peak:m/z	Relative Intensity
54.04850	0.8
55.05513	1.2
67.05492	2.1
67.76428	0.8
69.07058	1.0
71.07451	1.7
71.07795	1.1
77.57711	0.9
79.96217	0.7
81.07034	1.5
91.92500	0.7
93.07043	0.8
95.08601	1.4
96.73683	1.0
96.94083	0.8
105.07039	1.4
107.04906	0.8
109.10166	0.8
113.74931	0.9
121.02864	1.0
123.04408	3.1
123.45941	0.8
129.06999	1.4
137.02353	5.1
147.11687	1.1
149.02289	1.2
151.03908	2.8
159.04425	2.3
161.02353	1.0
169.06468	2.0
178.26585	0.9
189.05534	1.8
197.05991	1.9
211.07552	1.3
213.05437	3.8
251.07388	0.8
253.08701	1.1
267.10129	1.4
299.05560	1.2
309.07645	1.0
311.05493	4.3
319.09586	2.3
321.07675	1.5
323.05542	2.3
325.06964	1.2
331.09625	1.5
333.07709	1.8
334.08371	1.3
335.09164	1.6
337.07089	2.7
343.09454	1.2
345.24509	0.8
347.09152	11.1
349.07053	2.0
349.10715	2.0
350.07974	1.4
353.10431	1.4
357.11328	1.2
359.09103	5.0
359.12875	1.0
361.06805	1.5
361.10870	1.8
363.08374	2.2
365.10242	20.8
371.09042	5.2
373.10590	1.4
375.12332	1.7
377.10114	5.6
381.09464	1.0
383.12692	3.1
385.10657	2.9
386.11514	1.2
389.10275	2.3
391.11462	1.8
401.13870	10.8
403.11972	2.4
404.12592	2.1
419.14874	100.0
420.15332	3.6
437.15939	73.3
438.16351	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	437.1592
Annotation	Kraussianone 7
Peak:m/z	Relative Intensity
67.05503	1.8
69.07047	1.1
71.07601	2.5
79.05466	2.1
81.07031	3.6
91.05466	2.0
93.07031	1.8
95.04961	1.4
95.08596	1.5
105.07057	2.0
107.04949	2.3
107.08559	1.7
109.06496	2.5
111.11825	1.0
117.06998	1.4
117.47515	0.9
119.04958	0.9
119.08578	1.0
121.02885	1.0
123.04441	2.7
129.06982	0.9
131.08528	1.7
133.10103	1.1
135.04402	2.6
135.08038	3.2
137.02280	1.9
137.15689	0.9
143.08540	1.4
145.06531	1.4
147.04543	0.8
147.08025	2.1
149.02313	0.9
149.05943	0.9
151.03917	1.5
153.05577	0.9
157.06523	1.0
159.04359	0.9
161.02330	4.9
169.06418	1.0
171.08012	1.4
171.11639	1.4
175.07492	1.4
178.07837	0.9
189.01811	3.2
189.05421	1.3
189.12761	1.6
195.02895	1.6
199.07484	1.1
199.11281	0.9
203.03363	1.4
207.02910	1.5
213.05415	4.8
225.05544	1.8
227.06976	2.6
229.04984	1.8
229.12369	0.9
231.06438	4.9
233.08011	1.0
239.10661	1.9
241.05075	0.9
242.09352	1.1
243.06596	2.5
245.04454	1.0
245.07921	1.2
247.05980	1.5
249.07420	2.1
255.06554	1.7
257.11700	1.6
259.05981	1.0
267.10141	3.9
269.08054	1.1
285.11200	14.5
289.08801	1.1
290.00269	0.9
311.05487	1.7
324.06479	1.3
329.08231	2.0
333.07495	1.0
339.08746	3.0
343.09573	1.3
345.14569	1.3
347.09109	5.7
349.14316	1.1
357.10657	1.0
358.12000	0.9
359.08966	1.9
361.10583	1.5
363.08417	4.6
365.10120	12.2
369.10513	0.9
371.09253	1.3
377.10245	2.6
379.11243	1.0
381.09689	1.2
383.12881	4.0
389.09784	1.3
393.13235	3.7
401.13821	8.9
404.12512	2.0
419.14847	97.4
420.15176	2.0
437.15906	100.0
438.16278	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1593
Annotation	Kraussianone 6
Peak:m/z	Relative Intensity
53.76590	0.4
55.01856	0.8
55.05485	1.1
56.96557	0.6
58.94073	0.4
59.04975	1.4
60.13485	0.5
64.25176	0.4
65.03903	0.9
67.05500	4.0
69.03407	0.8
69.07035	1.7
69.54147	1.2
69.54562	3.1
79.05454	2.1
81.07051	4.0
83.04948	0.8
85.02897	0.7
85.67963	0.6
91.05473	2.9
93.07047	2.5
95.04953	1.2
95.08619	3.3
98.97541	0.7
105.07004	2.5
107.04941	2.8
107.08580	2.5
109.06516	1.0
109.10168	2.7
117.06976	1.1
119.04877	1.1
119.08585	2.4
121.02856	2.8
121.10075	1.7
123.04398	2.2
123.11686	0.9
128.06207	0.6
129.06979	1.0
131.08537	1.5
133.02852	0.7
133.10080	1.9
135.04424	0.8
135.11638	0.9
139.55252	0.5
141.07018	0.7
143.08571	1.0
145.10092	1.3
147.04362	0.9
147.11674	1.1
149.09575	1.0
149.13193	1.0
151.11011	0.5
157.10004	0.8
159.04401	0.6
159.08054	0.9
159.11703	1.1
161.02257	1.1
161.09679	0.6
161.13246	0.9
163.14845	0.6
166.48120	0.5
169.06413	1.3
173.09547	0.5
173.13197	1.1
175.07661	0.6
175.14796	0.6
177.08928	0.4
179.08521	0.6
183.11665	0.6
185.06079	0.5
185.13289	0.6
189.00412	0.7
189.01993	2.3
189.05469	0.7
189.16345	1.0
191.03380	2.4
191.17859	0.5
193.06479	0.6
197.05960	0.8
201.05452	0.8
201.16394	0.5
203.03294	0.6
203.17897	0.5
207.03017	2.6
209.00798	0.4
211.07521	0.7
213.05443	0.7
215.06975	0.7
223.07317	0.7
225.05498	0.6
227.07137	0.7
228.72592	0.5
235.07504	0.7
239.06807	0.6
243.06491	1.5
244.08813	1.7
245.08051	1.9
255.07883	0.7
258.10516	0.9
259.11124	1.6
259.16827	0.9
263.06964	1.6
267.06488	1.4
268.07272	1.0
271.07520	0.8
272.08240	1.5
275.06992	1.0
279.06439	1.6
281.08032	2.0
283.06039	0.9
285.11258	0.9
286.09631	0.6
287.10489	2.9
289.08514	1.4
290.09216	0.5
291.06439	2.9
291.09659	0.8
293.08017	1.6
294.05301	3.0
295.05933	4.3
296.06699	1.7
297.07596	1.3
300.07904	1.2
303.06650	0.7
303.10007	1.2
305.01859	0.8
305.08102	0.7
305.11639	0.5
307.05975	26.8
307.09393	1.2
308.06650	2.9
309.03995	1.9
309.07547	2.4
311.05539	5.8
315.10147	1.0
317.08090	1.7
318.08902	2.9
319.05954	6.4
319.09695	2.1
321.03815	1.2
321.07562	17.1
322.07959	0.7
323.02621	1.4
323.05869	0.7
323.09119	1.4
325.07053	12.3
326.07388	0.8
331.06042	0.9
331.09723	1.8
332.06863	0.6
332.10352	1.1
333.07678	1.1
333.11179	3.5
335.09134	9.3
336.09756	2.8
337.06949	4.1
337.10730	2.4
339.08615	0.7
343.09622	11.2
345.07535	2.2
346.08417	1.7
347.09158	2.1
349.06866	0.8
349.10648	2.5
350.11591	1.2
351.08383	1.6
351.12335	2.6
361.10678	47.6
362.10880	1.6
363.08521	1.2
363.12192	1.3
364.09390	0.9
365.10168	9.6
377.13788	1.8
379.11734	100.0
380.12122	3.9
391.15469	2.8
419.14783	9.7
437.15924	55.8
437.34808	2.4
438.16467	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1587
Annotation	Erysenegalensein L
Peak:m/z	Relative Intensity
53.03954	0.4
55.05504	1.1
59.04999	2.5
65.03934	0.3
67.05501	2.0
69.03413	0.5
69.07059	1.1
70.09223	1.6
74.06714	0.3
79.05478	1.1
81.03423	0.4
81.07062	3.0
83.04958	0.8
85.02899	0.3
91.05473	1.6
93.07040	2.2
95.04945	0.7
95.08600	2.1
97.06528	0.6
103.05476	0.4
105.03363	0.3
105.07035	2.2
107.04939	0.9
107.08600	1.7
109.06529	0.4
109.10136	1.8
117.07029	0.9
119.04903	0.4
119.08567	1.7
119.59188	0.3
121.02849	2.0
121.10139	1.3
123.04419	1.5
123.08039	0.5
123.11705	0.8
127.03914	0.4
129.06992	0.5
131.04999	0.3
131.08548	1.1
133.02858	0.4
133.10132	1.3
135.04410	0.7
135.08070	0.7
135.11665	0.5
137.02338	2.2
141.07024	0.3
143.08562	0.5
145.10139	1.3
147.04402	0.4
147.07997	0.4
147.11679	0.8
149.02336	0.7
149.13277	1.0
151.03871	0.8
155.08551	0.6
157.10150	0.7
159.04422	0.9
159.08049	0.3
159.11641	1.3
161.02342	0.6
161.13260	0.7
165.07042	0.4
169.06487	0.5
169.10071	0.5
171.08023	0.5
171.11710	0.3
173.13261	0.7
175.07520	0.8
175.14793	0.7
177.01776	0.4
179.08696	0.4
183.11682	0.3
185.05960	0.6
187.07494	0.8
187.14816	0.6
189.05484	0.6
189.16388	0.7
191.17921	0.4
193.10158	0.4
194.07253	0.4
195.02904	0.6
195.08080	0.5
197.05962	0.4
199.07585	0.5
199.14818	0.4
201.16356	0.6
203.06911	0.5
209.09633	0.4
211.07507	0.4
213.05357	1.8
213.16368	0.4
215.07047	0.6
217.19434	0.5
219.07985	0.5
221.09598	0.4
223.11139	0.4
224.08287	0.5
225.05542	0.5
225.08994	0.4
229.04919	0.5
231.06529	1.0
243.60829	0.3
245.09727	0.5
250.06221	0.7
255.06581	0.3
259.11057	0.5
261.09186	0.6
263.07059	0.4
267.10144	0.6
275.10629	0.7
275.20062	0.4
277.08704	0.4
283.05893	0.3
285.11337	0.9
287.10684	0.9
293.08212	0.4
295.05960	3.0
297.08841	0.5
301.08484	0.5
303.10110	0.7
305.08069	0.7
307.05930	2.6
307.09232	0.5
309.07440	0.5
311.05441	2.8
317.08127	0.7
318.08829	0.9
319.05975	1.1
319.09659	1.3
321.04181	0.3
321.07623	1.9
323.05493	0.9
323.09235	0.9
324.06436	0.6
325.07016	0.5
329.08109	0.4
330.09134	0.4
331.09595	2.7
332.10214	0.4
333.07462	1.1
333.11020	0.7
334.08270	1.2
335.09000	1.4
337.07104	2.2
337.10641	0.6
339.08704	0.9
340.10974	0.7
343.09518	2.5
345.07346	0.5
345.14615	0.4
346.08292	0.5
347.09119	11.3
348.09692	0.7
349.07065	0.6
349.10724	2.9
350.07846	0.6
353.10257	0.5
355.09338	0.4
357.11386	0.6
358.11975	0.5
359.09033	2.5
359.12833	0.4
361.06802	0.5
361.10693	4.8
363.08603	2.2
364.09375	0.5
365.10168	17.8
366.10703	0.8
371.09103	2.9
372.09610	0.4
373.10382	0.5
373.14447	1.1
375.08377	0.6
375.12540	0.6
377.10025	2.9
377.13531	0.4
379.11713	1.0
381.09622	0.5
383.12762	7.4
385.10681	1.5
386.11539	1.1
389.10016	1.6
391.11667	1.1
391.15921	0.5
391.33820	0.5
401.13812	18.3
402.14069	0.9
403.11667	1.0
404.12344	1.0
419.14847	100.0
420.15164	3.8
437.15964	31.7
437.34256	4.1
438.16315	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	437.1594
Annotation	Kraussianone 7
Peak:m/z	Relative Intensity
50.43630	0.5
50.59755	0.4
53.34430	0.4
55.01812	0.6
55.05449	2.7
57.07003	0.8
65.03908	0.9
67.05431	5.3
68.99730	0.5
69.03361	1.0
69.07057	3.7
71.62389	0.7
79.05489	4.0
81.03386	0.6
81.07051	12.2
83.01273	0.6
83.04926	0.6
83.08545	1.4
91.05474	4.1
93.07032	6.7
95.04952	2.1
95.08602	13.6
97.10124	0.5
103.65609	0.4
105.03326	0.9
105.07028	6.8
106.44660	0.4
107.04947	2.8
107.08582	9.1
109.02821	0.4
109.06494	3.5
109.10149	7.1
113.88051	0.4
115.05377	1.1
116.06070	0.5
117.07023	2.5
118.23830	0.4
119.04892	0.8
119.08575	9.7
121.02755	1.1
121.06447	1.0
121.10143	6.2
123.04425	3.6
123.11704	2.9
128.06175	0.8
129.06918	1.8
131.04857	0.5
131.08554	3.9
133.06392	1.1
133.09248	0.5
133.10112	6.3
134.03534	0.5
135.04320	1.8
135.08040	3.9
135.11670	4.3
137.02222	1.8
137.05894	1.0
137.13222	3.1
141.06966	0.7
142.07716	0.4
143.08531	2.7
144.09175	0.5
145.06398	0.9
145.10112	7.1
147.04367	1.0
147.07925	1.6
147.11679	5.7
149.02260	1.0
149.05878	0.9
149.09569	0.5
149.13234	2.9
151.03818	1.1
151.14798	0.7
153.05357	1.4
153.06845	0.5
153.08997	0.6
155.08463	0.9
156.09265	0.9
157.06407	1.0
157.10085	2.6
159.04318	1.6
159.08017	1.0
159.11693	5.6
161.02345	4.2
161.05878	0.7
161.13222	3.6
163.07481	0.9
163.14748	1.7
165.06917	0.4
166.07755	0.4
167.08488	0.5
169.06409	1.6
169.10049	1.3
171.07973	1.4
171.11688	2.7
173.05893	0.8
173.13268	4.0
174.06732	0.5
175.03932	0.4
175.07478	1.7
175.11064	0.5
175.14830	2.9
177.01732	0.7
177.05443	0.7
177.12706	0.4
177.16345	2.5
178.07684	0.6
181.06400	0.6
181.10094	0.5
182.07120	0.6
183.07986	0.8
183.11583	1.3
185.05884	1.6
185.11755	0.5
185.13196	2.4
187.03870	0.9
187.07443	1.8
187.11052	0.5
187.14752	3.9
189.01706	1.6
189.05363	1.7
189.09006	0.6
189.12796	2.2
189.16319	3.9
191.17912	3.6
193.10052	1.4
193.12039	0.7
195.02838	2.1
195.11720	0.6
196.08786	0.7
197.05844	0.7
197.13185	0.9
199.07460	1.1
199.11148	0.9
199.14743	1.8
200.04536	0.7
201.05394	0.8
201.12599	0.5
201.16354	5.7
203.03300	1.0
203.06931	0.8
203.17937	4.0
207.02832	1.4
207.13734	1.1
209.09583	0.8
211.07407	0.8
211.11116	1.2
211.14743	0.6
213.05441	4.9
213.16325	1.5
215.03348	0.6
215.06958	0.8
215.17862	1.9
217.04826	0.7
217.12094	1.0
217.19514	0.9
218.05557	0.5
219.06448	0.6
219.13611	0.5
221.04369	0.6
221.09619	0.6
224.08099	0.9
225.05383	1.8
225.09012	0.9
225.16348	1.2
226.17146	0.7
227.03415	0.6
227.06955	2.4
227.17802	1.3
229.04961	2.0
229.08463	0.6
229.19421	1.6
231.06512	6.4
231.13805	0.8
231.21004	0.8
233.15242	1.5
237.05423	1.0
237.08968	0.5
239.06938	0.7
239.10593	1.2
239.17978	0.9
241.12129	0.5
241.19400	0.9
242.09361	1.1
243.06500	2.4
243.10071	1.0
243.21060	1.2
245.04420	0.8
245.15393	0.8
247.16939	3.3
249.07237	2.6
251.07005	0.6
253.19408	0.9
255.06432	1.8
257.07996	0.8
257.11746	0.7
259.16882	1.9
261.18494	0.5
265.08459	0.8
267.10141	3.7
267.20938	0.7
269.07898	0.8
269.22568	1.2
271.17087	0.6
273.07617	0.7
273.18454	0.9
279.10294	0.5
281.22495	0.8
283.24295	0.6
285.08069	0.8
285.11176	15.6
285.18375	1.2
287.19949	1.3
289.08609	0.8
291.10040	0.6
293.04379	2.8
293.07742	0.7
295.06039	0.6
299.20001	1.1
300.07584	0.4
301.08411	0.7
303.12564	0.8
305.04312	0.7
305.07727	0.7
307.06143	0.5
307.09567	0.6
309.03903	0.6
309.07553	0.6
311.05432	2.7
313.21509	1.0
317.07956	0.5
321.07367	0.5
329.08157	2.0
330.08786	0.7
331.06104	0.6
331.09558	1.3
331.13052	0.9
332.06824	0.6
335.09250	1.3
337.06921	1.5
337.10565	0.8
341.07730	0.7
341.11508	0.5
341.24756	0.5
343.05923	0.6
343.09738	1.2
345.07397	0.9
347.09106	5.4
348.09619	0.5
349.10641	1.2
349.14258	1.0
353.10324	0.7
353.24765	0.9
355.13071	0.5
357.11295	1.0
359.09058	1.6
359.12878	0.6
361.10712	1.2
363.08548	1.5
365.10138	14.4
369.10800	0.5
371.09207	2.0
373.14499	0.6
377.09949	2.6
377.14206	0.6
379.11761	1.5
381.09631	0.9
383.12894	2.2
385.10736	0.9
386.11569	0.9
389.09854	0.7
391.11307	0.7
391.15796	1.0
391.33521	2.6
401.13809	9.5
403.11945	0.6
404.12442	1.2
419.14865	89.9
420.15131	2.3
437.15933	100.0
437.34122	20.1
438.16406	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	437.1593
Annotation	Kraussianone 6
Peak:m/z	Relative Intensity
50.08871	0.4
52.01222	0.4
53.03933	0.6
55.01869	0.8
55.05504	1.8
56.96567	0.4
59.04980	0.5
65.03941	0.4
67.05172	0.4
67.05505	6.5
68.99796	0.4
69.03403	0.6
69.07062	2.7
71.04979	0.9
71.36003	1.0
74.91138	0.4
79.05484	2.8
81.00060	0.4
81.03431	1.0
81.06332	0.4
81.07060	6.1
83.04977	1.3
83.08610	1.2
85.02897	0.6
85.06547	1.2
91.05467	2.8
93.07022	4.1
95.04963	1.9
95.08601	6.0
97.06554	0.8
97.10151	0.5
99.04422	0.5
99.08059	0.8
103.05425	0.4
105.07038	3.8
107.04958	1.6
107.08580	4.2
109.02862	0.5
109.06508	1.3
109.10153	5.4
111.08077	0.6
117.07015	1.3
119.08593	3.3
121.02853	2.0
121.06475	0.7
121.10130	3.2
123.04415	3.1
123.08072	0.6
123.11682	1.4
125.05975	0.9
127.03917	1.2
129.06995	1.1
131.08572	2.0
133.10109	3.0
135.04410	1.2
135.08093	1.0
135.11679	2.3
137.02332	2.0
137.05989	1.0
137.09583	1.1
137.13298	0.5
139.11156	0.5
143.08554	1.3
145.06430	0.5
145.10129	2.7
147.04382	1.2
147.08022	0.9
147.11676	1.8
149.09666	0.8
149.13228	1.1
151.03931	0.7
155.08580	0.6
157.10173	1.2
159.04376	0.4
159.08032	0.6
159.11688	1.8
161.05981	0.5
161.13240	1.2
163.11148	1.3
163.14835	0.6
167.06993	0.5
169.06422	0.4
169.10068	0.5
171.11655	0.8
173.09685	0.5
173.11784	0.6
173.13255	1.2
175.07549	1.2
175.11130	0.6
175.14824	1.1
177.16376	0.7
181.08591	0.7
181.10088	0.5
185.13264	1.2
187.14789	0.8
189.16382	0.9
195.02797	0.5
197.13278	0.8
199.07593	0.4
199.09578	0.8
199.14832	0.7
201.16402	0.6
203.17911	0.4
204.02475	0.5
207.03029	0.4
207.06454	0.4
213.05452	1.5
213.16290	0.9
217.08664	0.4
217.15764	0.4
227.06969	0.5
227.12694	0.6
239.06895	0.5
267.06589	0.8
267.10159	0.4
268.07291	1.3
275.20200	0.7
279.06485	0.7
280.07236	0.6
281.08072	2.5
283.05969	0.7
291.06567	0.6
293.08118	1.6
294.05298	1.6
295.05957	4.2
296.06750	1.5
297.07544	4.4
303.09915	0.8
305.11462	0.6
307.06073	4.3
307.09534	0.6
308.06613	2.1
309.07559	3.6
311.05560	1.7
313.06778	0.5
317.08282	0.6
318.08911	1.4
321.07578	16.3
322.08020	0.8
323.09036	0.9
325.07047	10.5
331.09589	1.0
332.10458	0.9
333.11151	1.7
335.09128	9.1
336.09805	3.4
337.07037	5.7
337.10760	1.4
339.08707	0.9
343.09671	1.6
347.09125	0.6
349.10645	3.6
350.07690	0.8
350.11423	1.9
351.08536	1.0
351.12277	4.2
353.10080	0.8
361.10663	4.2
363.08643	1.1
364.09332	0.9
365.10345	2.6
367.11658	1.2
379.11737	100.0
380.12186	2.9
381.09698	0.8
391.15247	1.4
401.13663	0.7
405.13501	2.0
419.15298	3.5
419.27606	0.9
419.32758	1.3
437.15988	13.0
437.24774	3.1
437.34378	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	437.144
Annotation	Trilobatin
Peak:m/z	Relative Intensity
55.01864	0.6
55.46500	0.3
57.03408	0.4
58.06591	0.3
64.69260	0.2
68.99789	0.8
69.03423	0.8
69.07052	0.8
69.43630	2.9
70.06590	2.4
71.04972	0.6
72.08149	3.0
74.06037	0.4
77.58264	0.3
79.05489	1.7
80.05827	0.3
81.03410	0.7
81.07034	0.4
82.06603	0.4
83.04996	0.3
84.08144	0.9
85.02895	1.2
86.09679	0.7
87.04501	0.3
88.46284	0.3
91.05478	2.6
93.07035	0.6
93.74240	0.2
95.04968	0.7
97.02882	1.1
97.06502	0.4
99.04411	0.3
103.05446	2.5
104.05807	0.9
105.07005	3.1
106.02899	0.5
107.04946	2.7
108.05239	0.5
109.02862	0.5
109.10145	0.4
110.02409	0.4
115.08749	0.3
117.44922	0.3
118.08944	0.3
119.04935	0.9
121.02848	0.5
121.06519	0.6
123.04449	0.9
124.04016	0.6
126.05492	2.5
127.03907	1.2
127.05825	0.7
131.04921	3.0
132.05305	0.8
135.04449	0.7
137.02319	1.5
137.05971	0.5
140.07031	0.6
145.06493	1.0
147.04399	4.5
147.08018	0.4
148.04727	0.7
149.05986	0.4
151.03842	0.6
153.01811	8.3
153.02980	0.6
161.05963	0.6
163.03902	5.1
165.01822	3.2
167.07008	2.7
173.05991	2.2
177.05447	0.4
179.03365	1.0
181.04948	1.0
183.02911	0.8
183.08054	0.5
187.07504	0.4
191.03377	29.1
192.03804	0.8
201.05437	0.4
201.09084	0.5
205.08441	0.3
209.04433	26.2
210.04790	0.4
211.07483	0.4
214.06364	0.3
216.04152	0.6
218.11818	0.4
226.63231	0.5
229.05013	1.5
229.08585	3.6
232.06088	0.4
235.14395	1.7
235.64558	1.2
239.06976	0.7
242.05794	1.9
242.07899	0.3
242.65346	0.4
243.14429	0.3
255.06444	0.6
257.08063	100.0
258.08395	2.9
274.10712	3.0
275.09006	57.6
276.09473	1.4
323.05460	0.8
341.06628	0.3
363.08505	0.4
381.09628	0.4
419.07538	1.4
419.17966	0.7
437.08493	2.5
437.14606	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01854	14.6
55.05499	16.3
57.03434	14.9
61.02912	9.6
67.05497	13.8
68.99812	5.4
69.03429	57.7
69.07053	20.6
70.06589	11.8
71.04984	26.0
71.62560	8.0
72.08160	8.6
73.02901	6.5
73.98889	5.2
79.05486	14.6
81.03426	32.9
81.07051	45.2
82.03757	5.6
82.07379	5.5
83.04986	8.8
83.08607	5.8
84.04511	5.7
84.08115	6.2
85.02894	100.0
86.05280	5.2
87.00820	53.5
91.05468	23.2
93.07034	40.1
95.04942	16.1
95.08597	34.4
97.02882	55.9
97.06531	6.4
99.04436	8.6
100.68456	5.9
105.01860	83.6
105.07032	26.6
107.04944	11.0
107.08587	36.4
109.02857	33.9
109.06521	15.9
109.10168	25.1
110.56239	4.9
111.04429	5.5
115.03957	5.1
117.06992	7.5
119.04911	10.1
119.08580	33.4
120.08954	5.3
121.06474	11.5
121.10149	12.0
123.04449	11.6
123.11713	12.8
127.03906	92.5
131.08528	7.6
133.10144	11.1
135.08067	8.5
135.11703	29.9
137.05969	9.6
137.09544	5.0
143.08580	7.0
145.04967	23.8
145.10069	14.9
147.04391	25.7
147.08029	6.2
147.11574	8.3
148.04811	6.2
149.09590	5.7
151.03893	8.7
153.01866	11.5
153.12758	63.5
157.10165	5.1
158.70073	5.3
159.02943	12.2
159.11768	9.3
165.12766	11.2
167.07028	19.1
168.07414	5.3
173.09619	9.8
175.07578	7.7
177.12801	7.6
181.04926	11.4
181.08531	6.7
182.05286	6.4
189.04008	7.4
191.10631	5.6
195.02856	8.2
219.13783	7.4
231.04964	16.9
243.13719	9.2
249.06090	14.4
250.16862	6.4
254.05766	5.4
261.14780	15.2
273.07495	5.6
274.07892	20.1
330.11148	7.9
348.89334	5.4
365.16263	10.3
383.17102	11.2
418.15640	9.9
436.13892	13.1
436.19427	13.3
436.32870	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	436.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14053	0.2
55.01842	0.3
62.63863	0.3
67.05468	0.3
69.03414	0.9
70.06593	1.6
71.62539	0.4
72.08142	0.9
77.50385	0.3
81.03405	0.5
84.08125	0.8
85.02898	1.3
93.05790	0.4
94.06562	2.9
95.04923	0.3
96.04483	0.6
96.64940	0.2
97.02877	0.6
98.09691	0.7
99.04433	0.3
107.04951	1.2
110.06046	3.0
112.07575	0.6
119.04929	0.4
124.03962	0.3
125.04733	0.9
127.03928	0.7
128.77380	0.2
129.97105	0.2
138.05492	100.0
139.05824	1.4
140.07056	0.5
147.04439	1.4
164.07048	0.4
177.05492	0.3
217.03738	0.3
220.09631	0.4
235.14444	0.5
238.10435	0.4
257.09854	0.3
266.10220	0.5
282.09784	0.4
357.37967	0.3
418.11292	17.0
419.11459	0.6
436.12363	50.7
436.21924	1.9
437.12637	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	436.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51667	0.6
69.03413	1.5
69.57328	1.4
69.57735	4.2
70.06572	0.9
72.08149	1.5
74.06063	0.9
78.05827	0.6
84.08157	1.0
85.02891	2.9
92.07111	1.4
97.02905	1.3
98.97587	1.1
119.01894	0.9
127.03911	2.0
138.05455	4.0
144.20763	0.8
145.04884	0.7
146.57832	0.7
147.04405	2.0
161.02998	1.0
164.11996	0.7
337.76587	0.7
436.13660	100.0
437.14285	5.5
450.36697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	1.6
53.03944	8.2
55.01853	8.1
55.05507	6.5
57.03417	5.1
59.04994	1.1
61.02906	4.9
62.43353	1.2
65.03934	2.5
65.28486	1.2
67.05505	6.8
68.99783	2.5
69.03425	21.9
69.07034	6.2
70.06590	8.8
71.04991	5.9
71.62635	2.6
72.08141	10.6
73.02908	6.9
77.03915	1.5
79.05057	1.5
79.05486	15.5
81.02969	2.0
81.03412	23.8
81.07047	11.8
81.78552	1.1
83.04979	2.8
84.08128	3.6
85.02896	61.5
85.06545	1.6
86.09669	1.3
87.00823	22.9
91.03909	1.9
91.05471	22.7
93.07036	84.9
93.91327	1.1
94.07333	1.3
95.04967	7.5
95.08589	11.1
97.02275	1.9
97.02882	34.9
97.06515	8.8
99.04445	12.9
105.01860	29.5
105.07018	8.1
107.04942	3.8
107.08585	100.0
109.02864	22.5
109.06490	4.3
109.10130	8.4
110.02361	1.9
111.04444	1.3
111.08086	1.3
115.03951	1.5
117.01826	2.9
117.06923	1.2
119.04949	2.6
119.06093	1.2
119.08545	3.3
120.08079	1.1
121.10124	2.2
123.04421	8.7
127.03901	63.8
128.04230	2.8
129.01814	3.1
133.10118	2.7
135.11679	70.2
136.11969	1.8
137.05978	2.8
137.13219	2.5
138.05444	1.1
145.04950	29.1
145.06105	1.8
146.05960	1.8
147.02870	2.6
147.04382	9.7
147.11633	2.2
148.04752	1.6
151.03969	1.2
151.54024	1.0
152.06996	2.1
153.12711	6.8
157.09724	1.4
159.02878	19.6
160.07503	2.1
161.03349	1.3
161.06003	1.5
162.05450	1.5
165.12744	1.7
167.06996	6.1
173.05943	1.4
177.03963	1.4
182.05220	2.4
183.11569	1.2
189.03902	1.9
213.03964	2.3
231.04929	11.4
243.13759	3.0
249.05997	2.9
255.06540	1.7
257.08096	4.3
261.14825	1.6
267.64291	1.2
274.07840	1.5
279.06088	1.2
290.15775	1.2
313.06992	2.3
334.07004	1.6
335.07379	4.0
354.50900	1.4
365.15811	1.5
376.12967	1.3
393.19742	1.7
436.16980	4.3
437.22055	6.0
446.03647	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	435.3466
Annotation	amomol A
Peak:m/z	Relative Intensity
53.03936	3.0
53.28092	1.2
55.05504	15.7
57.03435	2.2
57.07078	7.2
65.03942	1.4
67.05496	19.1
67.05829	2.1
69.03403	1.8
69.07060	22.2
69.80861	6.3
69.81278	2.7
70.06572	1.8
71.04960	1.4
71.08625	2.0
72.11499	1.2
79.05479	13.5
81.03397	2.0
81.07047	30.2
83.04962	6.6
83.08604	10.9
85.06526	1.7
91.05473	13.4
91.39425	1.3
93.07037	10.6
95.04966	3.6
95.08590	27.9
97.02814	1.3
97.06569	1.8
97.10142	6.3
98.98381	1.3
105.07018	8.3
107.04950	2.3
107.08591	9.8
109.06503	29.4
109.10145	16.3
111.11708	2.8
117.07024	2.1
119.08553	8.3
121.06498	3.1
121.10143	4.9
123.08056	3.7
123.11684	8.3
125.05984	6.5
129.06947	1.4
131.08569	5.0
133.06461	1.3
133.10123	5.9
135.08060	3.3
135.11716	3.5
137.05954	79.6
137.09612	2.2
137.13272	3.1
138.06322	2.0
139.07550	2.3
142.07726	1.4
143.08559	4.4
145.10101	4.8
145.63983	1.2
147.07909	1.5
147.11697	4.4
149.02321	2.7
149.09601	3.0
149.13269	2.9
151.07518	21.0
153.01846	2.0
153.05550	1.5
155.07005	10.2
157.10126	3.6
159.11684	6.6
161.09581	2.0
161.13254	1.8
162.03119	3.0
163.07614	3.3
163.11189	3.1
163.14781	1.6
165.09105	7.4
171.11722	4.0
173.09608	2.2
175.14897	1.8
177.09158	3.8
177.12779	2.4
178.08415	1.8
179.10690	5.1
184.04381	2.8
185.13318	1.9
187.11195	1.8
191.10707	2.8
193.12234	8.8
195.11696	2.8
197.13261	2.4
199.14841	2.1
201.12773	1.7
201.16373	2.1
203.10651	1.5
205.12238	12.4
206.05783	4.1
207.11885	1.8
207.13878	2.6
215.14264	1.8
219.13760	2.8
247.16917	1.5
249.03958	2.2
256.26349	3.4
273.07587	5.5
281.62921	1.5
320.67731	2.9
360.10089	1.9
364.05844	4.4
379.08002	6.4
379.12253	1.6
381.31525	1.5
399.32486	11.7
405.09650	3.1
417.33582	28.1
435.14368	32.9
435.29590	6.7
435.34732	100.0
435.80179	2.6
436.14392	7.1
436.34927	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	435.3466
Annotation	amomol A
Peak:m/z	Relative Intensity
51.76274	1.5
53.03936	3.6
55.05502	15.5
55.34200	1.7
57.07078	4.6
65.03938	2.8
67.05499	18.7
69.03453	1.7
69.07066	27.9
69.07413	3.1
70.06590	2.2
71.08635	2.2
71.62630	3.4
71.63020	1.6
75.16615	1.4
79.05492	11.0
81.07049	35.5
83.04990	6.8
83.08592	11.6
91.05467	12.9
93.07037	10.1
95.04966	2.9
95.08599	33.6
97.10163	6.8
102.09212	2.3
103.05473	1.9
105.06998	10.2
107.08585	11.3
109.06503	30.4
109.10151	16.9
111.08137	1.5
111.11720	3.2
117.07056	3.8
119.04923	1.6
119.08574	10.0
121.06507	3.1
121.10116	7.8
123.08086	5.6
123.11709	9.8
125.05997	7.3
129.06966	2.3
131.08583	6.1
133.10152	7.2
135.08080	3.5
135.11700	3.9
137.05966	95.5
137.13280	4.4
138.06305	2.0
143.08626	2.3
145.10135	6.0
147.04428	2.2
147.08081	1.6
147.11690	5.6
149.02296	4.1
149.05893	2.0
149.09599	3.8
149.13257	5.2
151.07510	20.5
153.01846	2.9
155.07005	11.4
157.10129	3.8
159.11659	7.5
161.09685	2.3
161.13269	1.6
162.03169	5.0
163.07623	3.0
163.11252	2.9
165.09140	6.9
171.11740	2.4
173.13310	2.3
175.11169	2.8
177.09123	3.3
179.10684	8.6
183.11732	2.9
184.04483	4.0
184.54721	1.8
187.11302	2.1
189.09259	1.7
191.10669	4.6
193.04903	3.7
193.12201	10.7
199.14851	3.2
203.10776	1.9
205.12204	14.7
206.05746	5.0
206.79324	1.9
207.13882	3.7
215.14572	1.8
219.13777	3.2
233.15376	2.2
247.17154	2.4
256.26385	4.7
273.07639	5.3
285.18951	1.6
291.23407	1.8
293.04739	2.3
309.03787	2.3
320.67938	6.0
335.19156	2.2
336.92688	2.3
345.07791	2.5
347.09149	2.5
357.07568	2.1
361.10828	2.2
362.32715	1.6
363.08740	4.5
379.11871	6.4
385.09341	4.4
399.12247	1.8
399.32477	15.6
417.13181	17.9
417.33661	50.0
418.13766	3.8
418.34476	3.3
435.13147	3.5
435.18777	28.8
435.29822	9.3
435.34763	100.0
435.80188	7.2
436.18295	4.9
436.35019	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	435.3468
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
52.52511	0.2
55.01867	1.0
55.05517	1.6
57.03421	0.4
57.07069	1.2
61.53880	0.2
65.03925	0.4
67.05491	1.2
69.03411	0.5
69.06729	0.2
69.07069	3.8
69.35408	0.9
69.35834	1.3
71.04963	0.3
71.08601	0.6
79.05479	0.6
81.07053	3.2
83.04966	0.9
83.08623	2.1
83.73497	0.2
85.06531	0.3
85.10134	0.3
91.05463	0.5
93.07042	1.0
95.04971	0.3
95.08597	3.4
97.06517	0.6
97.10171	1.4
99.00830	0.5
99.04455	4.6
105.07006	0.9
107.04915	0.2
107.08593	1.5
109.06508	1.2
109.10143	1.5
111.04436	3.5
111.11711	0.9
113.05976	0.2
114.08382	0.2
117.07025	0.3
119.04908	0.2
119.08584	0.7
121.06521	0.3
121.10158	0.8
123.08080	0.5
123.11689	1.0
125.05988	10.8
125.13248	0.3
129.05460	0.2
131.08549	0.4
133.10109	0.6
135.11655	0.4
137.05984	0.8
137.13243	0.5
139.03922	0.6
141.05457	7.7
145.10095	0.6
147.04442	0.3
147.08005	0.3
147.11705	0.4
147.77287	0.2
151.07578	0.4
151.14807	0.3
153.05457	100.0
154.05797	1.4
157.10080	0.4
159.06573	0.3
159.11737	0.5
161.09631	0.3
161.13319	0.4
167.07010	0.9
168.82471	0.2
171.06451	0.5
181.08606	0.4
191.17807	0.3
217.15860	0.2
233.15424	0.3
273.07632	0.8
330.94211	0.2
333.06744	0.2
345.27930	0.9
399.32501	0.6
417.33655	14.8
418.33911	0.4
435.34711	42.2
436.34988	1.7
458.49063	0.2
458.90366	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	435.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01872	2.0
55.05507	11.5
57.07071	7.8
59.32757	1.2
60.01215	1.3
67.05502	13.5
69.07066	22.1
69.74974	9.7
71.08642	4.2
77.15073	1.2
79.05503	3.7
81.07045	9.5
83.04965	3.3
83.08617	11.7
85.10205	2.4
91.05482	8.6
93.07040	43.5
93.07620	2.3
95.04989	3.6
95.08602	33.9
95.53564	1.2
97.06557	1.7
97.10185	8.5
105.07022	7.1
107.08588	11.0
109.06608	1.3
109.10148	7.6
111.08082	25.6
111.11764	3.9
111.87930	1.2
113.06001	1.2
119.08600	4.5
121.06492	3.2
121.10148	6.1
123.08051	2.5
123.11736	2.4
123.21736	1.3
125.02407	1.6
125.09631	2.9
127.07578	4.5
131.08617	2.2
133.10156	2.3
135.11722	2.9
137.05989	2.0
139.07535	19.0
145.10181	4.0
149.13330	1.9
151.11205	1.6
153.01845	1.6
153.05551	3.9
153.09122	13.7
153.10213	1.9
157.08594	6.5
159.11710	1.5
161.13318	1.4
165.09247	1.9
167.10666	10.7
171.11729	1.7
179.10751	2.9
179.63487	1.4
181.12262	9.6
187.14716	1.5
193.12413	1.6
195.13788	8.1
207.13940	4.7
209.15457	5.9
221.15544	2.2
223.17149	1.5
245.21021	1.3
265.21875	2.1
277.21603	1.6
279.23291	2.1
297.85837	1.4
316.26886	1.3
389.29178	2.4
389.34152	47.9
390.35001	2.2
399.32791	2.5
417.33664	100.0
418.34149	4.9
435.34875	46.1
436.35455	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	435.3467
Annotation	(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid
Peak:m/z	Relative Intensity
51.02375	0.9
52.21259	0.9
55.01858	2.1
55.05509	12.0
57.07082	7.7
64.87458	0.9
67.05504	16.6
69.03444	0.8
69.06715	1.4
69.07069	21.1
69.74599	1.8
69.75023	5.6
71.08624	5.0
79.05479	5.1
81.07056	10.2
83.04977	1.3
83.08622	11.9
85.06544	1.3
85.10184	1.9
91.05473	11.3
93.07042	51.7
95.04983	2.8
95.08606	37.9
97.06548	2.6
97.10167	8.7
98.21474	1.3
105.07004	4.5
106.07353	1.0
107.08606	9.0
109.06499	2.0
109.10140	6.9
111.08074	26.0
111.11729	3.0
117.07012	1.7
119.08604	3.5
121.06517	4.3
121.10165	4.0
123.08046	2.9
123.11722	3.1
125.09631	2.4
127.07564	6.4
131.08594	3.0
133.10144	3.5
135.08055	1.9
135.11716	2.7
137.09657	2.9
139.07533	28.9
143.08539	1.7
145.10159	2.6
147.11720	2.2
149.09599	1.0
149.13284	1.7
151.11206	3.4
153.05493	1.2
153.09093	18.6
157.08632	9.0
157.09888	1.8
159.11697	1.5
161.13213	1.3
165.09125	2.4
167.10704	14.3
168.76021	1.0
171.11693	2.1
173.18170	1.0
179.10704	2.7
180.10414	1.0
181.12201	12.0
193.12270	3.5
195.13820	10.2
207.13800	7.6
209.15323	7.0
221.15445	2.4
223.17033	2.9
237.18584	3.0
245.07132	0.9
251.20134	2.9
265.21680	3.6
277.21774	1.7
279.23337	1.6
279.26672	1.1
353.24689	1.1
361.57910	1.1
371.33279	1.1
389.34134	41.5
390.34409	1.5
399.32675	2.4
403.28400	3.1
417.33646	100.0
418.34152	4.3
435.34756	45.9
436.35266	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	435.1801
Annotation	LONCHOCARPIC ACID
Peak:m/z	Relative Intensity
54.85699	0.3
55.05473	0.5
55.38126	0.2
56.81424	0.3
62.49785	0.3
63.89714	0.3
67.05470	0.7
67.35712	0.2
69.07014	0.6
69.99898	1.3
70.65765	0.3
78.04660	0.3
79.05422	0.3
81.06992	0.8
89.03883	0.5
89.15546	0.3
91.05443	0.5
92.48384	0.3
93.06994	0.5
95.08563	0.7
105.03355	0.3
105.06958	0.3
106.04137	0.6
109.06508	0.3
117.03320	0.9
117.06970	0.5
119.08533	0.4
121.06388	0.3
121.10126	0.4
129.06921	0.4
132.52028	0.2
134.02638	0.4
134.03625	4.7
135.08032	0.3
135.11703	0.3
137.02252	0.3
137.05939	0.5
142.26689	0.3
143.08499	0.4
151.03821	0.6
153.01772	0.3
153.05423	0.8
157.06485	0.5
157.10062	0.4
161.87022	0.3
169.06508	0.3
171.04372	0.7
181.06355	0.3
185.05907	0.8
187.07585	0.3
189.05443	2.5
191.08534	0.4
202.06152	0.6
202.07791	0.7
207.02678	0.3
212.04588	0.7
213.05496	2.1
215.03400	0.4
216.09435	0.3
217.10098	0.9
219.07997	0.7
225.05476	0.4
230.05661	0.6
231.06419	0.9
233.09727	0.6
234.10410	0.4
235.07430	0.3
241.37097	0.3
244.08713	0.3
245.09581	2.9
247.07533	2.3
248.08272	0.5
253.04958	0.5
261.09079	2.4
262.09805	1.9
264.07813	0.3
265.04742	0.4
265.08502	0.6
273.09323	1.7
274.09702	0.3
275.07040	1.5
277.11969	0.4
279.06595	0.4
279.10123	0.3
281.44016	0.3
282.05182	0.5
289.05951	0.4
289.08652	3.1
290.09375	3.0
293.04810	0.4
293.08115	0.9
294.05286	0.4
300.07864	0.3
301.08545	3.5
302.09445	0.4
303.06473	1.0
304.07129	0.3
305.11710	1.1
307.06332	0.5
307.09467	2.2
310.04724	6.9
313.06812	0.4
317.08078	1.1
318.08862	6.8
319.09601	1.0
321.07614	1.6
322.04700	1.7
322.08371	1.5
323.09189	0.3
324.06201	0.6
325.07037	8.9
328.07385	0.5
329.08060	3.2
333.11194	9.2
335.09106	0.9
336.06152	0.7
336.09900	1.5
337.07010	1.6
337.10709	2.3
345.07608	2.9
346.08347	18.1
347.08881	0.8
349.06973	1.4
350.07501	0.3
351.08398	0.4
351.12225	0.3
361.10678	44.3
362.10992	1.0
363.08435	1.6
364.09393	17.8
365.09720	0.6
379.11743	100.0
380.12082	2.3
417.33188	1.1
435.18027	85.4
436.18320	2.7
439.22836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1795
Annotation	Scandenin
Peak:m/z	Relative Intensity
55.10481	0.4
57.07045	0.7
67.05495	1.7
69.03414	0.8
69.07068	0.8
70.06582	0.5
70.75089	0.5
70.75417	1.1
79.05487	1.5
81.07053	1.5
84.85770	0.4
89.03970	0.5
91.05482	1.5
93.07034	1.5
95.04970	0.9
95.08598	1.5
98.82899	0.4
105.07028	1.4
107.04935	1.3
107.08580	1.0
109.06525	2.1
109.10159	1.7
117.03405	0.5
119.07758	0.4
119.08596	1.5
121.10154	1.1
123.04427	0.5
123.11747	0.6
128.06223	0.8
129.07030	0.6
131.08601	1.2
133.10188	0.6
134.03644	5.7
135.08046	0.6
135.11716	0.5
137.05934	0.7
137.09613	0.7
140.18048	0.6
141.18791	0.5
145.06525	0.5
145.10104	1.1
147.04387	0.6
147.11641	0.8
148.34532	0.4
149.06059	0.6
149.09581	0.6
151.03964	0.7
153.01817	0.8
153.05418	0.5
153.06926	0.6
157.10146	0.5
159.11691	0.9
161.02299	0.8
171.11734	0.6
183.11665	0.8
185.05991	0.7
187.07516	0.5
189.05460	3.0
193.10144	0.5
199.07700	0.5
199.11342	0.5
207.11897	0.6
213.05467	1.6
216.09402	0.7
217.10172	0.7
219.08047	0.7
225.09236	0.7
230.05698	0.6
231.06480	1.2
237.38086	0.5
239.03424	0.6
245.09625	2.7
247.07506	1.4
255.10075	0.7
261.09140	1.9
262.09903	1.4
265.08575	0.8
272.07797	0.5
273.09134	1.5
275.07147	1.4
276.07657	0.5
285.11279	0.8
289.08469	3.1
290.09335	2.7
293.08102	0.9
301.08575	3.0
303.06702	1.4
304.07669	0.5
305.11813	0.7
307.06030	1.9
307.09668	2.0
309.07462	0.8
310.04663	5.9
311.53290	0.5
317.08011	1.5
318.08765	6.0
318.53192	0.6
319.09564	1.1
321.07468	1.6
322.04855	1.2
322.08224	1.5
325.07013	8.7
329.08093	2.6
333.11203	9.8
335.09198	1.1
336.06253	0.9
336.09937	1.9
337.07050	2.1
337.10767	2.1
343.09567	0.9
345.07520	2.5
346.08310	17.3
347.08994	1.6
349.06976	1.3
349.10791	0.6
350.07587	0.7
361.10663	42.2
362.10980	1.7
363.08621	2.2
364.09360	16.2
365.09818	1.1
379.11731	100.0
380.12088	3.1
389.13837	12.2
417.13266	2.0
417.31448	0.7
434.38388	0.8
435.18228	78.5
435.38388	1.3
436.18359	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60743	0.3
53.03951	0.5
57.03427	0.5
61.02906	0.6
68.22135	0.3
69.03413	1.4
69.52345	0.3
69.52660	3.3
70.06557	0.4
71.04990	3.6
72.08147	0.8
73.02908	0.4
75.04465	0.3
81.03404	1.1
83.04987	0.4
85.02900	6.3
85.59913	0.3
87.04458	0.5
87.63872	0.4
97.02886	1.5
98.09617	0.3
99.04453	0.5
107.04908	0.6
109.02886	0.9
111.04478	0.5
126.05562	0.4
127.03902	100.0
127.49638	0.3
128.04234	2.4
129.04439	0.5
129.05484	1.0
138.05489	1.1
139.03883	0.4
139.05852	0.3
145.04993	1.0
147.04408	0.7
159.87430	0.4
269.08548	0.4
289.09161	6.7
315.04221	0.4
389.14667	0.4
435.23685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10481	0.4
57.07045	0.7
67.05495	1.7
69.03414	0.8
69.07068	0.8
70.06582	0.5
70.75089	0.5
70.75417	1.1
79.05487	1.5
81.07053	1.5
84.85770	0.4
89.03970	0.5
91.05482	1.5
93.07034	1.5
95.04970	0.9
95.08598	1.5
98.82899	0.4
105.07028	1.4
107.04935	1.3
107.08580	1.0
109.06525	2.1
109.10159	1.7
117.03405	0.5
119.07758	0.4
119.08596	1.5
121.10154	1.1
123.04427	0.5
123.11747	0.6
128.06223	0.8
129.07030	0.6
131.08601	1.2
133.10188	0.6
134.03644	5.7
135.08046	0.6
135.11716	0.5
137.05934	0.7
137.09613	0.7
140.18048	0.6
141.18791	0.5
145.06525	0.5
145.10104	1.1
147.04387	0.6
147.11641	0.8
148.34532	0.4
149.06059	0.6
149.09581	0.6
151.03964	0.7
153.01817	0.8
153.05418	0.5
153.06926	0.6
157.10146	0.5
159.11691	0.9
161.02299	0.8
171.11734	0.6
183.11665	0.8
185.05991	0.7
187.07516	0.5
189.05460	3.0
193.10144	0.5
199.07700	0.5
199.11342	0.5
207.11897	0.6
213.05467	1.6
216.09402	0.7
217.10172	0.7
219.08047	0.7
225.09236	0.7
230.05698	0.6
231.06480	1.2
237.38086	0.5
239.03424	0.6
245.09625	2.7
247.07506	1.4
255.10075	0.7
261.09140	1.9
262.09903	1.4
265.08575	0.8
272.07797	0.5
273.09134	1.5
275.07147	1.4
276.07657	0.5
285.11279	0.8
289.08469	3.1
290.09335	2.7
293.08102	0.9
301.08575	3.0
303.06702	1.4
304.07669	0.5
305.11813	0.7
307.06030	1.9
307.09668	2.0
309.07462	0.8
310.04663	5.9
311.53290	0.5
317.08011	1.5
318.08765	6.0
318.53192	0.6
319.09564	1.1
321.07468	1.6
322.04855	1.2
322.08224	1.5
325.07013	8.7
329.08093	2.6
333.11203	9.8
335.09198	1.1
336.06253	0.9
336.09937	1.9
337.07050	2.1
337.10767	2.1
343.09567	0.9
345.07520	2.5
346.08310	17.3
347.08994	1.6
349.06976	1.3
349.10791	0.6
350.07587	0.7
361.10663	42.2
362.10980	1.7
363.08621	2.2
364.09360	16.2
365.09818	1.1
379.11731	100.0
380.12088	3.1
389.13837	12.2
417.13266	2.0
417.31448	0.7
434.38388	0.8
435.18228	78.5
435.38388	1.3
436.18359	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1434
Annotation	Haplopappin
Peak:m/z	Relative Intensity
54.95388	0.4
55.05505	0.7
67.05479	1.5
67.93333	0.4
69.07063	0.8
69.82752	3.1
75.78301	0.4
79.05476	0.9
81.07032	1.8
83.08611	0.5
91.05458	0.8
93.07047	1.2
94.33990	0.4
95.04947	0.7
95.08588	1.9
96.71524	0.4
98.20736	0.6
102.40419	0.4
104.71810	0.4
105.06993	1.2
107.08594	1.3
109.06490	0.7
109.10155	0.7
111.66423	0.4
119.08559	1.1
121.10128	0.8
131.08534	0.9
133.02800	0.5
133.10132	0.8
134.03647	0.9
135.11623	0.7
137.05977	0.7
147.04376	0.7
151.03879	0.6
153.01831	1.0
174.06726	0.5
184.07312	0.9
187.07558	0.5
196.08476	0.5
198.06752	0.6
201.05486	0.5
203.03323	0.5
213.05444	1.3
213.09145	0.6
225.09273	0.4
226.06148	0.6
227.06993	1.7
229.04927	1.2
241.08714	0.9
243.10034	0.7
245.07895	0.6
247.05891	0.7
251.06943	0.4
261.08990	0.6
263.06900	0.5
269.08130	4.3
273.07578	1.4
279.06537	0.6
280.07178	0.5
287.09061	6.6
289.08539	0.8
293.55859	0.5
303.10052	1.0
307.09686	1.4
308.06818	1.1
313.07162	0.6
321.07449	1.7
321.11185	1.1
323.05698	0.7
323.09225	1.4
324.06180	6.3
325.06839	0.6
332.10410	1.0
333.11023	0.7
335.05542	0.9
335.09042	4.7
336.06265	1.8
336.09735	0.7
339.08591	9.3
340.08817	0.6
343.09763	1.1
345.07587	0.9
346.08524	0.6
347.12970	0.6
348.06393	0.7
349.07129	1.3
350.07809	1.5
351.08609	3.8
351.12241	0.8
353.10132	0.5
356.10471	0.5
359.09021	1.0
360.09946	6.1
361.10596	1.0
362.07874	0.9
363.08618	7.3
364.09351	2.3
365.10080	0.8
365.14072	0.9
374.11667	0.6
375.12256	11.8
376.12656	0.9
377.10059	2.2
378.06238	0.7
378.10983	14.2
379.11374	0.9
389.13885	0.6
393.13290	100.0
394.13623	5.4
407.14816	1.2
417.13361	1.9
435.14359	66.9
435.32239	1.5
436.14789	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	435.1434
Annotation	Haplopappin
Peak:m/z	Relative Intensity
55.05503	0.4
65.03940	0.2
67.05492	0.8
69.03420	0.7
69.07061	0.5
69.58659	0.2
71.62968	0.2
79.05494	0.7
81.03407	0.3
81.07043	1.0
87.92560	0.2
88.96143	0.2
91.05461	0.6
93.07031	0.6
94.16727	0.2
95.04978	0.3
95.08601	0.8
105.03412	0.3
105.07012	0.8
107.04946	0.5
107.08566	0.5
109.06532	0.5
109.10120	0.4
117.07009	0.2
119.08601	0.5
121.06513	0.3
121.10127	0.3
123.11698	0.4
128.06212	0.3
129.07031	0.4
131.04874	0.2
131.08551	0.4
133.02859	0.6
133.06467	0.2
133.10107	0.3
135.04414	0.4
135.08000	0.3
135.11700	0.5
137.02376	0.5
137.05992	0.6
142.07784	0.3
143.08592	0.2
145.06468	0.3
145.10083	0.5
147.04382	0.6
147.11746	0.3
149.06001	0.2
149.13210	0.2
150.03137	0.5
151.03876	1.3
153.01855	0.4
157.10187	0.3
159.04390	0.5
159.11624	0.3
165.05499	1.4
171.08058	0.3
171.11740	0.2
173.09618	0.3
173.13225	0.3
173.43225	0.3
175.14796	0.2
177.33031	0.2
179.08551	0.3
181.06465	0.3
183.08018	0.3
183.11674	0.3
185.06017	0.4
189.01854	0.3
191.03345	0.4
193.04944	0.2
195.08092	0.3
197.13295	0.2
199.07599	0.4
200.08372	0.5
201.05441	0.4
201.09129	0.7
201.16248	0.3
203.06993	0.5
207.02786	0.3
211.07578	0.3
213.05457	0.7
213.08968	0.3
223.07611	0.3
224.08363	0.8
224.29796	0.2
225.05536	0.3
225.09047	0.6
227.07039	2.3
229.04944	1.4
231.06560	0.7
235.07791	0.3
238.09769	0.3
244.07274	0.3
245.07941	0.4
247.05878	0.2
248.08417	0.3
250.06203	0.4
251.07056	0.8
253.05052	0.2
261.09164	0.3
264.07822	0.2
265.08530	0.5
267.06702	0.3
273.07483	0.6
275.10577	0.3
277.08344	0.3
279.06610	0.4
279.10318	0.5
285.09259	0.3
287.09027	0.2
289.08676	0.3
291.09940	0.4
293.08023	0.4
296.06650	0.3
299.10483	0.4
303.10025	1.3
304.10934	0.5
305.08145	0.3
307.06110	0.5
307.09641	1.3
308.06689	0.4
308.09955	0.2
310.04752	0.3
310.08307	0.2
311.05460	2.3
312.05914	0.3
313.08688	0.3
315.10303	0.5
317.08084	0.8
317.11728	0.7
318.08746	0.6
319.09692	0.7
319.13306	0.4
320.06790	0.3
321.07529	0.9
321.11227	0.8
322.08316	0.3
322.11981	0.4
323.05493	1.3
323.09152	0.8
324.06168	2.2
325.06952	0.6
325.10532	0.3
331.09659	1.2
332.10318	0.7
333.07733	0.3
333.11292	0.3
335.09143	5.9
336.06253	1.1
336.09799	0.5
337.07037	4.1
337.10565	0.3
339.08606	2.5
345.07587	0.6
345.11273	0.5
346.08289	0.9
346.12067	0.4
347.09048	2.1
348.06171	0.7
348.09930	0.3
349.07019	1.1
349.10776	0.9
350.07724	0.7
350.11588	0.3
351.08646	3.6
351.12558	0.3
352.09274	0.8
353.10220	0.9
356.10709	0.3
359.08878	1.2
360.09888	2.5
361.10611	0.9
362.07657	0.4
363.08594	7.0
364.09125	1.1
365.10114	3.3
365.14044	0.4
366.10818	0.4
372.05942	0.4
373.10870	0.8
374.11450	0.9
375.12268	3.4
376.12958	0.3
377.10107	1.7
378.10974	6.8
379.11542	0.7
381.09491	0.6
384.09891	3.9
386.07730	0.3
387.08496	2.2
389.13885	0.5
393.13309	59.4
394.13687	2.9
399.12265	4.6
401.10294	0.6
402.10934	16.1
403.11255	1.0
407.14966	1.4
417.13303	100.0
418.13672	5.4
420.14877	0.4
435.14157	24.5
435.32602	0.7
436.14566	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1438
Annotation	Haplopappin
Peak:m/z	Relative Intensity
53.03950	1.3
55.05513	1.9
64.97582	1.2
67.05491	4.3
69.07059	1.6
70.19212	3.3
70.19611	2.0
71.08598	1.0
71.77124	1.0
79.05479	2.4
80.65941	1.1
81.07047	4.0
81.68090	1.0
89.05999	1.2
91.05466	3.4
93.07023	3.0
95.04980	2.4
95.08602	4.5
105.07029	14.7
107.08585	3.7
109.06519	2.0
109.10143	3.7
112.25475	1.0
119.04925	1.3
119.08533	2.7
119.69745	1.1
121.01405	1.2
121.06490	2.0
121.10124	2.7
129.07037	1.5
131.08565	2.1
133.10117	2.1
135.08064	1.4
135.11711	1.3
137.05949	1.4
139.03877	2.1
143.08525	1.9
145.10138	1.5
147.04420	1.6
147.11780	1.1
151.03951	1.5
153.01778	4.0
159.11668	1.8
165.05569	1.8
165.09103	1.4
173.09482	1.2
183.11757	1.4
201.05478	1.2
213.05547	1.9
224.08199	2.0
227.07027	2.4
227.12756	3.5
229.04947	1.3
231.06494	2.4
249.07550	1.2
273.07584	3.7
301.08588	1.3
321.07529	2.0
324.06412	2.7
335.09076	4.3
336.06082	1.3
339.08545	2.3
345.07587	1.4
346.08328	2.6
347.09195	1.7
350.07620	1.2
360.10077	1.9
361.10623	4.9
363.08475	6.3
364.09430	3.0
365.10040	6.5
375.12231	4.0
378.11002	5.8
379.11801	12.2
384.09827	4.8
387.08603	1.9
389.13733	2.4
393.13303	59.8
394.13602	1.5
399.12198	8.9
402.11090	13.4
407.15115	2.1
417.13309	100.0
418.13727	5.7
434.38248	1.5
435.14261	10.2
435.17825	7.8
435.27039	1.6
435.32877	4.2
436.14056	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	435.1286
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.03951	6.1
55.01878	10.2
55.05504	7.9
56.05043	3.2
57.03431	20.1
59.05000	5.0
61.02929	7.1
64.54408	3.4
65.03941	10.8
67.05496	10.6
68.99799	5.9
69.03429	54.6
69.07082	6.7
69.55830	4.6
69.56236	20.9
70.03751	8.4
70.06599	24.3
71.01328	2.6
71.04987	8.4
72.04507	3.5
72.08154	56.9
73.02909	10.9
73.08495	3.2
75.04468	4.3
79.05505	15.5
81.03420	15.0
81.07053	8.4
83.01380	3.3
83.04987	5.2
84.04490	8.4
84.08150	20.4
85.02904	93.3
85.06571	5.9
86.03233	10.5
86.09727	14.8
87.04462	17.9
88.04819	6.4
89.10786	8.8
91.05479	34.3
93.07034	8.4
95.04972	15.4
95.08601	6.3
97.02889	56.7
97.06525	12.9
98.03223	11.0
98.06056	8.8
98.09695	4.9
99.04454	7.2
101.06081	3.4
102.05608	2.8
103.03959	3.5
103.05467	6.1
105.07023	17.1
107.04955	32.4
107.08582	7.1
109.02889	13.7
109.06490	3.0
109.10149	7.7
110.02442	4.5
110.03653	3.2
110.07188	3.4
111.04436	4.0
114.10262	7.4
115.03934	45.4
115.05438	6.3
115.08678	6.2
116.04253	8.6
117.06971	7.6
119.04933	24.6
119.08578	4.3
120.08078	3.7
121.02876	25.2
121.06510	9.1
121.10138	6.1
123.04444	17.4
123.08038	4.7
124.05185	3.6
125.05981	5.1
127.03906	65.0
128.04263	11.1
128.06235	4.5
128.11813	3.9
129.04346	5.1
129.10240	10.0
131.04971	5.1
131.08578	5.8
133.04973	32.7
133.06508	5.3
133.10173	4.0
134.05302	14.1
135.04416	5.1
136.07570	6.5
137.02310	3.4
137.05981	7.9
139.03873	4.9
141.07098	3.2
144.05698	3.2
145.04935	17.7
145.06476	11.4
146.05328	6.6
147.04407	76.4
147.08038	3.0
148.04732	4.6
149.09654	3.4
150.07620	3.2
151.03882	3.4
151.07587	3.6
152.07021	4.8
153.01828	22.2
153.05530	3.4
157.06500	3.7
159.04413	5.4
159.08034	6.7
159.11790	3.3
161.02448	4.7
161.05992	16.3
161.56448	3.4
163.03888	24.3
163.06085	5.7
163.07414	3.9
165.01846	21.5
167.07059	68.1
169.06358	5.5
171.02852	3.7
171.06570	6.6
172.05197	6.6
173.02350	11.0
173.06017	7.0
177.01826	8.6
177.05469	8.0
181.04961	87.1
181.06503	6.6
181.08588	12.4
183.02873	35.2
187.03903	3.3
187.07564	13.0
189.01849	6.0
189.05504	8.7
189.09187	3.9
191.03418	21.4
195.02888	100.0
195.04613	6.2
195.08028	5.6
197.05978	5.0
197.11720	5.7
200.04640	4.4
201.05562	8.2
203.03421	6.2
205.04973	5.1
207.02983	3.8
207.06470	4.3
209.04446	3.7
213.05508	6.4
213.09059	6.2
215.03412	4.9
215.07028	17.6
217.08585	4.8
218.05774	5.6
218.11716	4.9
219.02908	38.0
219.10193	10.8
220.03256	3.3
221.08037	9.3
231.02911	29.3
231.10312	3.1
233.08104	44.7
241.04814	3.3
241.08618	7.1
243.02808	3.5
249.03987	17.4
251.09200	7.3
255.06528	4.0
256.15482	9.2
256.65598	3.8
259.09976	3.5
261.03958	28.2
263.09241	14.7
269.07861	4.4
271.06018	7.1
273.07565	24.3
273.16379	3.6
279.05219	2.9
285.07547	35.5
286.13596	3.4
295.10510	3.1
297.07507	16.5
315.08643	19.9
317.80389	3.1
321.07761	3.6
323.09052	4.0
329.10028	3.4
332.12674	3.3
339.08664	39.2
347.11453	14.1
351.08588	23.5
355.11853	4.9
363.08603	7.0
367.12009	4.7
381.09686	12.4
387.14417	6.2
399.10577	9.4
399.15015	5.2
417.09995	6.7
417.15323	29.2
435.10318	23.5
435.21616	39.5
435.26285	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	435.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
55.01878	10.2
55.05504	7.9
56.05043	3.2
57.03431	20.1
59.05000	5.0
61.02929	7.1
64.54408	3.4
65.03941	10.8
67.05496	10.6
68.99799	5.9
69.03429	54.6
69.07082	6.7
69.55830	4.6
69.56236	20.9
70.03751	8.4
70.06599	24.3
71.01328	2.6
71.04987	8.4
72.04507	3.5
72.08154	56.9
73.02909	10.9
73.08495	3.2
75.04468	4.3
79.05505	15.5
81.03420	15.0
81.07053	8.4
83.01380	3.3
83.04987	5.2
84.04490	8.4
84.08150	20.4
85.02904	93.3
85.06571	5.9
86.03233	10.5
86.09727	14.8
87.04462	17.9
88.04819	6.4
89.10786	8.8
91.05479	34.3
93.07034	8.4
95.04972	15.4
95.08601	6.3
97.02889	56.7
97.06525	12.9
98.03223	11.0
98.06056	8.8
98.09695	4.9
99.04454	7.2
101.06081	3.4
102.05608	2.8
103.03959	3.5
103.05467	6.1
105.07023	17.1
107.04955	32.4
107.08582	7.1
109.02889	13.7
109.06490	3.0
109.10149	7.7
110.02442	4.5
110.03653	3.2
110.07188	3.4
111.04436	4.0
114.10262	7.4
115.03934	45.4
115.05438	6.3
115.08678	6.2
116.04253	8.6
117.06971	7.6
119.04933	24.6
119.08578	4.3
120.08078	3.7
121.02876	25.2
121.06510	9.1
121.10138	6.1
123.04444	17.4
123.08038	4.7
124.05185	3.6
125.05981	5.1
127.03906	65.0
128.04263	11.1
128.06235	4.5
128.11813	3.9
129.04346	5.1
129.10240	10.0
131.04971	5.1
131.08578	5.8
133.04973	32.7
133.06508	5.3
133.10173	4.0
134.05302	14.1
135.04416	5.1
136.07570	6.5
137.02310	3.4
137.05981	7.9
139.03873	4.9
141.07098	3.2
144.05698	3.2
145.04935	17.7
145.06476	11.4
146.05328	6.6
147.04407	76.4
147.08038	3.0
148.04732	4.6
149.09654	3.4
150.07620	3.2
151.03882	3.4
151.07587	3.6
152.07021	4.8
153.01828	22.2
153.05530	3.4
157.06500	3.7
159.04413	5.4
159.08034	6.7
159.11790	3.3
161.02448	4.7
161.05992	16.3
161.56448	3.4
163.03888	24.3
163.06085	5.7
163.07414	3.9
165.01846	21.5
167.07059	68.1
169.06358	5.5
171.02852	3.7
171.06570	6.6
172.05197	6.6
173.02350	11.0
173.06017	7.0
177.01826	8.6
177.05469	8.0
181.04961	87.1
181.06503	6.6
181.08588	12.4
183.02873	35.2
187.03903	3.3
187.07564	13.0
189.01849	6.0
189.05504	8.7
189.09187	3.9
191.03418	21.4
195.02888	100.0
195.04613	6.2
195.08028	5.6
197.05978	5.0
197.11720	5.7
200.04640	4.4
201.05562	8.2
203.03421	6.2
205.04973	5.1
207.02983	3.8
207.06470	4.3
209.04446	3.7
213.05508	6.4
213.09059	6.2
215.03412	4.9
215.07028	17.6
217.08585	4.8
218.05774	5.6
218.11716	4.9
219.02908	38.0
219.10193	10.8
220.03256	3.3
221.08037	9.3
231.02911	29.3
231.10312	3.1
233.08104	44.7
241.04814	3.3
241.08618	7.1
243.02808	3.5
249.03987	17.4
251.09200	7.3
255.06528	4.0
256.15482	9.2
256.65598	3.8
259.09976	3.5
261.03958	28.2
263.09241	14.7
269.07861	4.4
271.06018	7.1
273.07565	24.3
273.16379	3.6
279.05219	2.9
285.07547	35.5
286.13596	3.4
295.10510	3.1
297.07507	16.5
315.08643	19.9
317.80389	3.1
321.07761	3.6
323.09052	4.0
329.10028	3.4
332.12674	3.3
339.08664	39.2
347.11453	14.1
351.08588	23.5
355.11853	4.9
363.08603	7.0
367.12009	4.7
381.09686	12.4
387.14417	6.2
399.10577	9.4
399.15015	5.2
417.09995	6.7
417.15323	29.2
435.10318	23.5
435.21616	39.5
435.26285	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	435.1285
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
55.01868	2.4
57.03436	10.3
65.03931	1.4
67.01844	1.4
67.05500	2.1
68.99786	4.1
69.03426	50.6
69.46552	1.9
69.46953	12.3
71.04990	24.0
72.08146	3.8
75.04536	1.4
78.49609	1.3
79.05473	4.7
81.03409	5.1
81.07027	2.1
83.04984	1.6
85.02902	52.0
91.05486	3.8
93.03355	1.5
95.04947	4.5
97.02905	2.1
99.04432	1.4
103.03896	1.5
105.06999	3.0
107.01224	1.3
107.04960	9.7
109.02856	5.3
111.04429	6.3
117.03369	1.8
117.99593	1.1
119.04903	7.7
121.02844	4.9
121.06416	1.3
123.04414	7.1
125.02353	3.1
125.05991	3.8
127.03892	6.0
129.05457	8.2
135.04411	30.6
137.02281	1.6
137.06001	2.2
138.42046	1.6
139.03983	1.6
140.59613	1.4
145.02867	3.1
147.04408	28.1
147.06387	1.9
149.02327	3.8
151.03911	2.3
153.01826	64.6
161.05896	1.8
163.03912	34.8
165.01820	26.6
167.03412	2.1
167.07050	4.8
171.02907	8.4
175.03886	2.7
177.01891	10.2
177.05469	4.4
179.03435	5.0
181.04860	6.8
183.02898	23.1
187.03934	2.5
189.01857	1.6
189.05392	2.6
191.03395	19.1
193.04907	3.2
195.02885	100.0
196.03123	1.4
197.00742	2.1
203.03401	20.3
205.01193	1.5
205.04926	2.2
207.02922	4.8
209.04507	2.1
213.03899	2.3
217.04942	11.0
219.00711	1.7
219.02873	35.6
221.04472	7.3
231.03000	1.8
233.08093	4.9
237.03886	3.0
245.04445	46.9
249.03900	2.0
261.03934	2.7
263.05505	73.5
271.06036	2.6
273.07578	68.8
274.07748	1.9
281.06546	6.3
283.05856	1.6
284.06329	1.7
285.07401	6.6
289.07083	31.0
297.07520	1.9
301.07086	10.5
313.07056	7.4
314.07321	2.1
315.07993	3.9
317.08020	1.8
331.08075	22.8
339.08768	9.1
351.08551	3.5
355.08118	27.3
369.09033	4.2
381.09641	23.4
399.10641	43.0
417.11551	13.4
435.12830	29.0
435.25620	1.5
436.13330	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1282
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
50.45254	0.6
52.86730	0.5
57.03424	1.5
57.58061	0.5
67.01850	0.9
68.99802	1.1
69.03394	1.0
69.70272	2.7
81.03407	1.0
85.02891	4.0
90.03148	0.6
91.05457	1.7
95.04950	0.6
97.02887	0.9
98.21454	1.1
107.04931	1.6
109.02892	0.6
119.04932	7.0
121.02853	1.8
121.06522	0.6
123.03683	0.5
123.04399	3.0
135.04358	0.5
147.04404	26.4
148.04767	0.8
153.01817	50.1
154.02138	0.9
163.03984	0.9
165.01837	4.4
171.02910	2.8
177.01840	2.1
179.03404	0.7
183.02913	4.2
191.03423	3.3
195.02885	14.8
205.04933	0.9
207.02945	0.7
215.03400	0.8
219.02892	4.8
231.02899	4.3
243.02867	1.2
249.03984	2.2
255.06668	0.6
261.03967	3.2
273.07562	100.0
274.07880	4.0
279.04990	1.6
285.07556	6.0
297.07797	2.8
315.08646	3.1
339.08551	5.0
351.08667	2.8
363.08633	1.1
369.09741	1.5
381.09741	2.0
399.10687	1.9
417.11652	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	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01864	2.3
55.05496	5.6
57.03434	10.6
58.06600	1.4
59.04980	2.0
60.04486	1.4
65.03946	1.3
67.05502	11.9
69.03414	5.8
69.07063	2.8
70.06590	11.3
70.79131	3.7
71.01349	1.4
71.04989	67.6
72.08150	16.4
73.02913	3.3
75.04467	4.7
79.05491	2.6
81.03412	6.0
81.07043	5.9
83.04977	7.7
83.08604	1.9
84.04486	4.6
84.08135	18.7
85.02898	100.0
86.06030	1.4
86.09683	3.4
87.04461	2.5
89.10795	1.6
91.05473	20.1
93.07027	2.2
95.04956	2.1
97.02874	13.0
98.09669	5.9
99.04452	2.6
101.06004	10.7
103.03935	2.6
105.07047	1.7
107.04922	2.5
107.08583	2.3
109.02867	4.0
109.10155	10.4
110.02406	2.3
111.04401	5.2
112.07607	1.4
115.03945	1.3
116.07088	3.9
116.98570	1.6
119.04909	4.9
120.05274	1.4
121.02866	5.8
121.10100	1.6
123.04429	1.8
124.07576	1.9
127.03909	20.4
128.04214	3.1
128.10732	7.9
129.05467	41.7
133.06482	2.3
133.10101	1.3
136.07544	1.4
137.06009	1.7
138.05492	1.6
140.07053	1.4
144.10193	2.4
145.02800	1.6
145.04950	4.3
145.06454	2.9
146.11743	8.2
147.04445	11.2
147.06511	22.2
151.07529	1.6
152.07094	1.5
153.01822	3.1
159.11815	1.5
163.03912	1.4
163.11119	1.7
164.09189	7.6
167.07039	7.0
175.03851	2.2
175.07564	2.7
177.05508	1.7
178.38203	1.5
181.04929	4.3
182.08136	1.7
203.03412	2.6
218.11821	2.1
233.08064	2.2
235.14380	1.8
237.14850	2.3
240.09428	2.3
248.14920	2.1
253.10535	1.7
255.08670	2.7
255.15807	1.4
272.06387	2.0
273.09827	1.6
283.06003	1.7
284.06345	3.9
285.07013	1.8
288.14246	1.5
290.15994	12.5
299.62128	1.3
308.06531	2.4
308.17065	6.1
309.11679	3.2
314.07324	1.8
321.07565	2.1
322.07819	6.1
334.07895	1.5
338.07025	1.7
350.07257	6.1
360.09433	4.4
368.08337	2.2
388.08887	3.5
396.40720	1.3
416.08548	5.8
416.26157	2.2
417.09735	1.4
429.04742	2.3
434.09277	24.5
434.27884	29.9
435.10251	7.9
435.18185	3.6
435.27573	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
55.01857	3.0
55.05495	9.3
57.03419	4.3
57.07051	4.3
58.17929	1.9
59.04994	3.6
65.03929	2.5
67.05499	19.0
67.40022	2.1
68.99807	2.1
69.03420	17.5
69.07068	16.1
70.06572	2.7
70.97851	2.9
70.98167	3.0
71.04984	33.2
72.08140	3.8
73.06535	3.7
79.05488	20.0
81.03426	12.1
81.07052	41.5
82.07339	3.1
83.04984	5.7
83.08611	8.7
84.04498	25.4
85.02902	20.7
85.06548	6.9
87.00819	3.0
91.05468	21.1
93.07034	33.7
94.07361	2.1
95.04959	7.1
95.08594	45.0
97.02895	13.0
97.06516	6.6
97.10172	4.5
99.04447	8.8
99.08092	7.5
101.72221	2.1
103.03931	3.0
103.05465	2.9
105.07021	46.6
107.04944	4.4
107.08583	34.1
108.09014	2.1
109.02831	11.3
109.06510	5.2
109.10159	20.9
110.03210	2.2
111.08090	3.3
117.07039	3.5
119.04941	4.3
119.08582	13.9
121.02879	3.2
121.06498	3.6
121.10128	22.6
123.04444	5.5
123.08079	3.0
123.11698	8.8
125.09607	26.3
126.05556	2.5
127.03901	66.3
127.07572	5.4
127.11173	6.6
128.04240	30.2
131.08565	10.9
133.10120	84.5
135.08043	3.7
135.11688	5.4
137.05942	7.2
137.09637	3.1
139.11186	2.5
143.10664	46.1
145.04948	4.7
145.10101	17.9
146.10574	3.0
147.04408	12.3
147.11656	17.4
149.09598	3.9
149.13242	26.4
151.07527	2.9
151.11172	9.6
153.01817	15.3
155.10661	3.1
157.06444	2.5
157.10138	3.1
159.11711	12.9
161.06027	3.6
161.13254	8.5
167.07059	14.3
167.14294	81.3
169.12247	4.9
173.13280	5.0
175.14865	2.8
181.04967	8.3
181.08560	2.3
183.03012	2.4
195.02879	3.6
201.16347	14.4
219.17412	100.0
220.17812	2.9
233.08006	4.4
237.14851	2.4
237.18498	18.8
271.06085	4.0
272.06345	5.9
273.07504	22.0
284.06415	5.8
314.07358	4.2
338.07397	2.7
356.72372	2.3
416.11676	4.8
416.33731	2.7
417.15305	3.5
434.11978	12.0
434.17859	4.0
434.25711	2.3
435.14590	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01875	3.2
57.03433	25.3
59.04996	3.7
60.04512	1.9
61.02921	7.5
65.03899	1.3
67.05476	1.7
69.03426	75.3
69.07061	2.4
69.80658	9.4
70.06576	4.2
71.04982	2.7
72.08149	15.1
73.02918	18.2
75.04463	1.4
79.05490	2.0
81.03405	9.5
81.07028	2.2
83.01330	1.7
83.04947	1.9
84.04478	4.2
84.08134	4.6
85.02901	100.0
86.09697	3.4
87.04465	46.1
91.03974	3.4
91.05473	5.7
93.07023	2.8
95.04960	2.4
95.08578	1.9
97.02889	72.3
98.21452	1.8
99.04453	6.8
103.03920	4.2
104.75294	1.5
105.07030	12.4
107.04935	3.0
107.08562	2.3
108.43327	1.6
109.02869	9.0
110.02413	1.7
111.04472	2.0
114.10232	2.3
115.03925	82.7
116.07005	1.6
117.06985	1.7
119.04911	4.4
119.08595	2.9
120.08096	1.9
121.02868	3.5
123.04454	1.5
127.03909	58.5
128.04260	16.1
129.10216	2.2
133.04958	74.5
133.06465	2.6
135.04350	2.0
136.07639	1.5
137.02318	3.1
137.06021	2.3
141.07085	1.5
145.04948	32.1
147.04405	18.1
147.07999	2.7
150.07591	10.7
151.03891	2.7
152.07047	1.5
153.01863	2.7
161.05943	1.9
163.03906	4.0
163.06000	16.5
163.82745	1.5
165.01822	3.4
167.07036	6.3
168.10774	1.7
169.04947	2.8
181.04944	3.9
183.02852	3.2
191.03362	4.0
195.02896	9.9
201.09050	3.6
207.02895	1.7
215.03351	1.7
219.02931	3.0
219.10242	2.1
223.05963	2.2
226.05882	2.6
231.02855	3.5
233.07976	2.4
237.11334	1.7
241.07149	3.4
256.15622	2.6
259.08115	4.2
261.04010	2.5
271.05969	14.5
272.06335	38.1
272.09268	2.5
273.07474	3.1
277.08984	1.6
285.07480	4.3
285.13315	5.0
295.10208	4.5
297.07626	1.6
339.08676	5.3
343.65549	1.4
350.07178	1.7
368.08603	1.6
381.09546	2.0
398.28668	2.8
417.15530	1.7
434.09857	10.9
434.16165	1.9
435.10785	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67145	1.0
52.86076	0.8
52.87651	0.8
53.03951	1.1
55.01869	3.1
55.05500	2.0
57.03431	23.8
59.04993	4.6
60.04522	2.4
60.68431	1.0
61.02921	5.8
64.24065	0.9
65.03943	1.3
67.05482	1.6
69.03423	77.2
69.07093	1.1
70.03751	1.4
70.06245	0.9
70.06568	5.7
71.01350	1.0
71.04975	2.7
71.38200	1.8
72.08145	12.5
73.02905	12.2
73.08470	0.8
73.72813	0.8
74.06061	1.4
75.04473	2.3
79.05477	2.4
79.76241	0.9
81.03398	7.0
81.07052	1.9
83.04983	1.3
84.04493	3.7
84.08131	3.4
85.02897	100.0
86.03249	2.3
86.06073	0.9
86.09688	2.4
87.04459	47.5
89.10763	1.1
91.03967	2.5
91.05478	3.7
95.04948	1.8
97.02884	70.6
97.06544	1.0
98.03226	2.1
98.06044	1.9
98.09660	1.8
99.04455	5.0
103.03936	3.3
103.05453	1.4
105.07011	9.5
106.07452	1.1
107.04926	3.2
107.08565	1.4
109.02892	7.3
110.02376	1.4
110.07134	1.1
111.04452	1.2
112.07614	0.9
115.03918	91.2
117.06980	1.7
119.04926	2.8
119.08565	2.0
120.08117	1.4
121.02854	4.2
121.10145	1.3
123.04404	2.2
123.08042	1.1
127.03902	54.9
128.04218	13.9
129.10190	1.1
133.04953	84.7
133.06564	2.2
135.04329	1.2
137.02310	2.3
137.05965	1.7
139.03880	1.6
145.04944	37.3
147.04390	15.8
147.08029	2.6
147.11598	1.0
149.05978	1.1
150.07622	12.0
151.03851	1.4
151.35461	1.1
152.07103	1.1
153.01830	3.1
156.07666	1.2
161.05830	1.7
163.03902	3.0
163.05984	14.2
165.01820	3.1
167.07036	5.7
169.04927	2.4
171.02945	1.0
177.01857	1.8
181.04939	7.6
183.02867	3.1
184.86475	1.1
187.06052	1.2
189.09021	1.9
191.03374	2.8
195.02902	7.4
197.06021	1.5
198.06342	1.6
201.05415	1.3
201.09093	3.1
215.07037	1.5
216.07449	1.4
217.04999	1.0
218.11716	2.4
219.02946	4.4
219.10170	2.4
223.06030	1.0
225.05441	1.9
226.05783	1.9
231.02852	3.7
231.10112	1.3
233.08121	3.0
241.07051	2.6
249.03873	2.1
250.76778	1.0
254.05255	1.5
259.08182	6.8
261.03845	2.1
271.05963	9.2
272.06335	21.2
273.07391	3.1
277.09167	1.8
282.26160	0.9
284.06412	1.2
285.07541	3.1
285.13232	4.6
295.10144	4.0
297.07529	2.0
309.07211	1.1
314.07214	1.6
315.08621	2.4
322.08051	1.3
337.06882	1.2
339.08582	3.3
350.07239	2.1
351.08435	1.5
360.09656	1.9
363.08408	1.3
378.10587	1.1
380.28131	1.5
388.08981	2.0
398.28830	1.9
416.08411	2.3
417.15601	1.8
417.21426	1.1
434.09198	13.1
434.22397	1.0
435.10410	3.3
435.21442	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.331
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
50.94344	2.0
55.05500	5.7
57.07066	2.8
67.05181	2.6
67.05496	11.0
69.07050	8.7
69.55450	9.2
69.55877	7.3
71.08615	1.8
79.05487	8.8
81.07047	18.4
83.05011	3.1
83.08621	3.5
91.05475	8.8
93.07037	19.9
94.64624	1.9
95.08598	29.7
97.02908	1.9
97.06501	2.5
98.20638	2.7
105.07026	16.4
107.05011	1.9
107.08582	31.4
109.06544	2.6
109.10164	14.9
117.07066	3.1
119.08563	30.3
121.10130	20.1
123.08026	2.6
123.11704	8.8
127.03912	4.2
131.08574	5.8
133.10107	24.2
135.08073	3.5
135.11679	23.5
137.06018	3.1
137.13283	2.8
143.08621	2.2
144.95946	2.2
145.10127	10.1
147.11679	21.8
149.09610	2.9
149.13246	11.2
151.03926	2.6
151.07536	7.0
151.11179	7.5
153.09082	3.9
157.10187	2.7
159.11661	16.7
161.09622	2.0
161.13292	8.3
163.14810	6.0
165.12737	2.3
167.10701	3.3
169.08615	2.6
169.10081	2.3
171.11671	5.0
173.13293	8.3
175.14894	6.5
177.12807	5.4
177.16455	4.6
179.14346	3.7
187.14751	10.3
189.16356	43.3
191.18005	2.5
193.25107	1.9
195.11757	2.4
195.13803	4.5
199.14801	2.8
201.16330	10.3
203.14220	2.7
203.17979	4.3
204.87537	1.8
207.13770	3.8
207.17397	30.9
209.15436	3.8
215.17943	15.4
219.13869	2.6
221.15311	2.3
229.19556	7.7
233.19078	3.2
235.16948	4.9
249.18529	5.5
251.06853	2.2
271.06036	7.8
283.06079	7.6
284.06757	2.5
294.24133	2.0
301.21738	2.3
311.05585	11.5
313.07101	7.5
337.07202	3.2
355.26437	2.2
364.09711	2.7
367.08069	2.9
377.10159	4.0
379.11649	4.7
379.29871	3.3
385.10968	3.7
391.12219	2.4
397.09277	2.5
397.30963	62.0
403.11813	3.4
415.10202	3.8
415.15424	4.0
415.27258	10.2
415.33011	10.8
418.14145	7.3
433.11511	6.4
433.16507	100.0
433.28891	4.0
433.36871	8.8
434.16760	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	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05512	14.5
57.03423	9.2
57.07062	6.3
66.47373	2.7
67.05498	45.0
69.07068	13.1
71.62612	5.6
76.00047	2.7
79.05487	34.4
81.07052	52.6
83.04997	3.5
83.08606	8.2
91.05466	16.9
93.07039	42.9
95.04947	4.5
95.08601	44.4
98.98462	71.2
105.07043	15.0
107.08586	29.3
109.06509	4.5
109.10153	23.1
117.07008	5.2
119.08587	21.5
121.10156	16.8
123.08049	4.3
123.11700	10.2
126.65159	3.0
127.03900	4.6
131.08565	12.8
132.81001	2.8
133.10156	16.1
135.11702	17.3
137.13225	3.6
143.08536	3.6
145.10150	12.8
147.11707	10.8
149.13222	13.4
151.07509	4.0
151.11191	3.5
151.13596	2.6
151.14798	4.2
153.05435	4.4
155.01030	11.1
157.10120	4.2
159.11693	9.9
161.13248	6.9
163.14787	5.6
173.02129	10.5
173.13303	9.5
175.14873	3.5
177.16467	3.1
187.14801	6.3
193.10126	3.1
233.15427	3.1
243.21021	15.6
261.22079	43.0
271.06061	8.2
283.06149	5.3
294.90714	3.1
313.07065	4.3
317.24713	8.9
335.25793	92.8
336.26074	6.0
375.12466	4.0
379.12146	3.4
396.51486	3.4
403.11493	4.4
415.15491	3.7
415.35995	6.0
418.14371	13.7
433.10626	5.1
433.16495	100.0
433.22888	4.7
433.29297	5.5
434.16962	10.4
445.24698	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	433.3309
Annotation	1alpha,2beta,25-trihydroxycholecalciferol
Peak:m/z	Relative Intensity
53.03930	2.4
55.05503	20.7
57.07072	10.5
59.01676	1.6
60.76295	2.0
66.06494	1.9
67.05502	9.0
69.06715	2.8
69.07063	37.9
69.07442	2.8
70.24004	8.9
71.08618	5.5
79.05462	5.5
81.07055	23.3
83.04964	6.1
83.08616	19.7
84.32790	1.6
85.10168	3.1
89.99065	1.6
91.03802	1.8
91.05463	4.9
91.94982	1.7
93.07034	9.6
95.08597	16.2
97.10159	10.2
98.21453	2.8
99.04434	2.9
105.07033	4.1
106.30541	1.9
107.08556	4.6
109.06505	14.9
109.10117	10.6
111.04420	1.8
111.11704	8.9
112.99999	10.6
113.00631	1.6
117.07081	2.2
119.08531	3.3
121.06483	3.8
121.10102	3.7
123.08049	3.8
123.11687	4.2
125.05978	9.9
125.13250	2.5
131.57365	1.8
133.10109	1.9
135.11748	2.0
137.05966	65.5
137.13289	3.7
139.07503	4.7
141.05484	6.7
145.10095	2.4
147.08026	3.7
149.06012	3.6
149.13120	1.9
151.07529	38.6
151.08659	3.4
153.05452	46.5
155.07010	7.8
159.08058	2.5
159.11642	2.9
161.05927	2.2
163.07539	2.3
165.05463	6.2
165.09077	12.3
167.07030	88.6
169.02562	10.2
175.07501	4.2
177.09161	4.5
179.07022	3.5
179.10678	3.5
181.08583	3.6
189.09041	4.2
191.07011	3.0
191.10660	5.2
191.17751	2.0
192.07620	2.0
193.08623	5.0
193.12215	3.1
195.37219	1.8
203.10637	4.7
205.08597	5.5
205.12234	5.0
207.10164	9.7
207.13821	2.5
219.10190	1.9
221.11653	5.5
233.11745	2.9
235.13249	2.4
257.69888	1.9
267.12442	1.8
271.06009	2.4
286.63446	1.7
305.21158	1.8
369.31363	2.4
387.32562	29.8
397.30911	6.2
415.32025	100.0
416.32254	2.8
433.32779	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1642
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
52.43837	0.2
55.05505	0.3
65.03938	0.2
67.05498	0.7
69.03371	0.2
69.07047	0.5
69.70541	1.4
79.05485	0.2
81.07051	0.6
90.06232	0.2
91.05470	0.4
93.07044	0.5
94.99643	0.2
95.04944	0.2
95.08595	0.5
99.73141	0.2
105.07036	0.6
107.04948	0.2
107.08594	0.4
109.02851	0.2
109.06499	0.3
109.10133	0.3
117.03336	0.2
119.08557	0.5
121.10124	0.4
122.03605	0.2
123.04395	0.2
123.11684	0.2
127.03892	0.3
133.02794	0.4
133.06390	0.2
133.10126	0.3
134.03615	0.2
137.05972	0.7
141.07028	0.2
143.08542	0.3
145.06451	0.3
145.10172	0.2
150.03125	0.3
151.03876	1.8
157.06554	0.3
159.04390	0.4
161.06021	0.2
163.03906	0.3
165.05475	1.0
165.06822	0.3
171.08054	0.4
171.11646	0.2
179.08519	0.2
187.07550	0.3
198.06721	0.3
199.07516	0.4
201.05367	0.2
205.06502	0.2
209.09529	0.3
211.07530	0.4
211.11084	0.3
212.08203	0.2
213.05408	1.2
213.09195	0.3
214.06268	0.2
215.07051	0.2
219.08098	0.2
223.11182	0.3
224.08450	0.2
224.68575	0.2
225.05389	0.5
225.09146	0.7
226.09891	0.4
229.04846	0.3
239.06860	0.2
239.10658	0.4
241.12181	0.4
245.09669	0.2
247.07587	0.2
248.08147	0.2
249.09055	0.5
251.07024	1.1
253.08604	0.6
263.10837	0.2
265.08417	0.2
267.10147	0.8
269.08072	0.6
277.08435	0.3
287.09174	0.4
291.06317	0.2
291.10114	0.3
301.08688	0.4
301.12054	0.3
305.07950	0.2
305.11536	0.2
307.09747	0.5
310.04584	0.3
313.07208	0.3
315.10144	0.4
317.08215	0.2
317.11880	0.3
318.09009	0.3
319.09521	0.3
319.13220	0.3
325.07019	0.4
329.08084	0.2
329.11740	0.6
331.09671	0.2
333.07773	0.3
333.11237	0.3
334.08325	0.4
335.09274	0.5
336.06104	0.4
337.06900	0.4
342.09070	0.2
343.09622	0.3
345.07391	0.2
345.11206	0.2
346.08359	1.3
347.09119	0.8
347.12869	0.5
348.09793	0.5
349.06857	0.4
349.10782	0.7
351.08630	1.2
352.09140	0.2
357.11093	1.4
358.08344	0.5
358.12170	0.3
360.10043	0.4
361.06918	0.4
361.10721	1.5
361.14441	0.4
362.07623	0.3
363.12418	0.6
364.09366	2.3
365.10217	0.2
367.11212	0.2
370.08334	0.9
371.08871	0.2
371.13120	0.3
372.13620	0.4
373.10431	1.3
373.14679	0.3
375.08521	0.3
375.12387	2.3
376.09399	0.6
376.13361	0.3
377.10120	0.6
377.24631	0.2
378.10754	0.4
379.11777	4.4
382.11896	0.6
383.12595	0.4
385.10748	2.6
386.11380	0.5
387.16220	0.4
388.09201	0.4
389.09622	0.4
389.13885	0.6
391.11523	1.6
397.14267	0.9
399.12125	0.5
400.12897	2.5
401.13913	0.3
403.11719	3.3
405.13055	0.4
415.15372	4.7
417.13495	0.5
418.14056	6.8
419.14334	0.4
433.16431	100.0
434.16776	4.9
440.82928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1643
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
55.05496	0.2
67.05484	0.6
69.03404	0.2
69.07057	0.2
70.23294	0.6
79.05483	0.4
81.07039	0.5
83.05001	0.2
91.05448	0.2
93.07003	0.3
95.04934	0.2
95.08598	0.3
98.21371	0.2
102.67751	0.1
105.03410	0.2
105.07030	0.4
107.04974	0.2
107.08607	0.3
108.02082	0.2
109.06503	0.2
117.07037	0.2
119.04935	0.2
119.08585	0.2
122.03642	0.2
123.11656	0.2
127.03933	0.4
129.07033	0.2
131.08514	0.2
133.02863	0.4
134.03662	0.3
135.04436	0.4
137.05972	0.7
143.08505	0.3
147.25821	0.2
150.03101	0.3
151.03885	1.5
153.05472	0.2
157.06447	0.3
159.04340	0.3
159.08034	0.2
163.03882	0.3
165.05463	1.1
165.06783	0.2
169.06445	0.4
171.08023	0.3
175.07515	0.2
180.09383	0.2
183.07953	0.3
187.07603	0.4
189.05429	0.2
193.10092	0.2
195.08002	0.2
195.11682	0.2
195.66512	0.1
197.06000	0.3
197.09755	0.2
198.06693	0.2
199.07600	0.2
208.08850	0.2
209.09651	0.1
211.07533	0.5
211.11172	0.2
212.08318	0.2
213.05432	1.0
221.09688	0.2
223.11189	0.4
224.04610	0.1
224.08278	0.2
225.05472	0.5
225.09100	0.8
226.09856	0.3
227.06961	0.3
231.06474	0.2
235.07373	0.2
237.09232	0.2
238.09930	0.2
239.06926	0.4
239.10646	0.3
241.08617	0.2
241.12274	0.4
248.08305	0.2
249.09100	0.4
251.07007	0.8
252.07738	0.2
253.08630	0.7
257.09433	0.2
259.31787	0.2
263.07040	0.2
263.10651	0.3
267.10162	0.8
267.74829	0.2
268.10764	0.2
269.08075	0.9
271.06012	0.3
273.09418	0.2
273.12781	0.2
275.07379	0.2
277.08521	0.3
287.09216	0.6
289.08478	0.3
291.10144	0.3
293.07910	0.2
301.08551	0.5
301.12122	0.4
302.09192	0.3
303.06348	0.2
303.09802	0.3
304.11038	0.2
305.07983	0.4
305.11499	0.2
307.09772	0.3
309.07443	0.2
309.12650	0.2
310.04709	0.3
311.10672	0.2
312.11145	0.1
313.08493	0.2
315.10144	0.3
317.08002	0.2
317.11575	0.2
318.08887	0.2
319.09631	0.3
319.13132	0.3
321.07626	0.2
322.04541	0.3
324.06345	0.2
325.07159	0.4
325.11969	0.2
327.13959	0.2
329.08331	0.3
329.11761	0.5
330.09024	0.2
333.07660	0.3
333.11209	0.3
334.08157	0.3
335.09100	0.5
336.06290	0.4
336.09943	0.3
337.07114	0.3
338.07544	0.2
339.08713	0.2
341.08109	0.2
343.09723	0.3
343.13422	0.3
344.10214	0.2
344.14096	0.3
345.11295	0.3
346.08337	1.1
347.09058	0.6
347.12762	0.5
348.09924	0.6
349.06912	0.3
349.10727	0.6
351.08530	1.0
354.12433	0.2
355.13202	0.2
356.10388	0.2
357.11404	1.3
358.08359	0.6
359.08966	0.2
359.16693	0.2
360.09946	0.4
361.06799	0.3
361.10672	1.5
361.14374	0.3
362.07626	0.3
362.11258	0.3
363.12286	0.6
364.09363	2.2
368.10266	0.2
370.08179	0.7
371.08902	0.4
371.13071	0.2
372.09674	0.3
372.13779	0.3
373.10501	1.5
373.14264	0.2
374.11548	0.2
375.08405	0.3
375.12354	2.7
376.09116	0.4
377.10278	0.6
378.10928	0.5
379.11752	4.6
382.11862	0.3
383.13034	0.2
385.10641	2.7
386.11227	0.5
387.11832	0.2
387.16089	0.3
388.09457	0.4
389.09531	0.3
389.14310	0.8
390.10434	0.2
390.14856	0.3
391.11475	1.8
397.14288	0.6
399.12125	0.7
400.12982	2.5
401.13657	0.3
403.11731	3.0
405.13266	0.6
405.17706	0.2
415.15393	4.9
416.15598	0.3
417.13318	0.6
418.14066	7.7
419.14407	0.3
433.16431	100.0
434.16766	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	433.1337
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
51.37795	0.2
53.03946	0.5
54.18254	0.2
55.01871	0.3
55.05497	0.4
56.96551	0.6
57.03429	0.6
58.76726	0.2
61.02905	0.4
69.03423	2.6
69.83610	0.2
70.06581	0.6
71.04978	0.7
71.60736	0.4
72.08147	1.0
73.02907	0.9
74.06042	0.2
81.03416	2.0
81.58910	0.2
83.01323	0.2
83.04974	0.3
84.04487	0.5
84.08138	0.9
85.02899	7.0
85.06523	0.2
86.09706	1.2
87.04469	0.3
90.05560	1.2
91.45772	0.2
97.02884	3.8
98.09656	0.3
98.97577	0.7
98.98435	0.3
99.03832	0.3
99.04448	3.8
103.03290	0.3
103.03932	4.3
107.05009	0.2
109.02878	3.2
110.06023	0.2
115.03893	0.4
116.98622	0.5
119.02003	0.3
119.04969	0.3
123.04449	0.3
127.03906	100.0
128.04230	0.8
128.98578	0.4
130.08652	0.2
133.03416	0.3
134.99670	0.2
136.07559	0.3
138.05475	0.4
145.04950	4.3
147.04410	1.1
149.01233	0.2
156.80583	0.2
158.99649	0.3
159.05087	0.2
161.02983	0.2
163.06018	1.1
165.00623	0.2
173.01263	0.3
173.02850	0.2
177.00748	0.4
187.06084	0.7
189.00459	0.2
200.04395	0.2
205.06981	0.3
219.01770	0.6
219.07147	0.3
220.04158	0.3
231.06978	0.3
237.02812	0.4
245.05054	0.3
261.02924	0.2
263.00797	0.2
271.08218	0.3
279.03772	0.3
281.07162	0.5
289.09174	0.3
321.10327	0.7
378.72531	0.2
433.09079	1.0
433.15677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1637
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
55.01868	0.1
55.05511	0.3
65.03932	0.2
67.05491	0.7
69.07058	0.2
69.31176	0.7
69.31607	0.5
75.54016	0.1
79.05481	0.4
81.07043	0.5
83.08632	0.1
91.05472	0.3
93.07042	0.3
95.08588	0.2
98.98456	0.3
103.05474	0.2
105.03378	0.4
105.07042	0.4
107.04942	0.3
107.08572	0.3
109.06537	0.2
109.10140	0.3
110.41592	0.1
117.07030	0.1
121.02882	0.2
122.03686	0.3
123.04383	0.2
129.06972	0.2
131.04932	0.2
131.08582	0.2
133.02847	0.6
133.10098	0.2
134.03644	0.3
135.04408	0.5
137.02281	0.2
137.05981	0.6
139.63562	0.1
140.79015	0.1
141.05417	0.1
141.06990	0.2
143.04980	0.2
143.08542	0.1
145.10120	0.1
147.11748	0.1
149.05908	0.2
149.13219	0.2
150.03079	0.3
151.03870	1.6
151.04973	0.2
155.08511	0.3
157.06427	0.2
159.04398	0.5
159.08057	0.2
159.27013	0.1
160.27672	0.1
161.02348	0.2
163.03897	0.3
165.05518	1.1
165.06903	0.2
169.06503	0.3
169.10042	0.1
171.08051	0.3
175.03975	0.1
178.95647	0.1
180.09392	0.1
180.87103	0.1
181.06497	0.2
183.08101	0.2
183.11882	0.1
185.06064	0.2
185.09596	0.1
186.06699	0.2
187.03821	0.1
187.07581	0.5
187.14729	0.2
189.05438	0.2
191.03314	0.1
191.08492	0.2
192.09378	0.2
193.10080	0.3
195.08064	0.3
195.11690	0.1
197.05978	0.4
197.09627	0.2
198.06697	0.2
199.07539	0.5
205.04871	0.2
209.06053	0.2
209.09669	0.2
211.07471	0.6
211.11157	0.2
212.08302	0.3
213.05475	1.3
215.07060	0.1
219.08116	0.2
221.09583	0.2
222.10378	0.1
223.07468	0.2
223.11154	0.3
224.04732	0.2
224.08365	0.3
225.05490	0.5
225.09038	0.9
226.09920	0.5
227.03391	0.2
227.07079	0.2
229.04982	0.2
235.11266	0.2
239.06931	0.3
239.10672	0.5
240.11432	0.2
241.08638	0.2
241.12245	0.4
245.09578	0.2
247.07591	0.3
247.11111	0.1
248.08266	0.3
249.09204	0.3
251.07008	1.1
251.10725	0.2
252.07774	0.1
253.08673	0.8
253.12224	0.1
255.06860	0.2
261.09131	0.2
263.10675	0.2
265.08682	0.2
266.09396	0.2
267.10135	1.0
269.07889	0.8
269.11972	0.2
271.05984	0.2
273.09189	0.3
276.07962	0.1
277.08499	0.4
279.10037	0.2
283.11313	0.2
283.97455	0.1
285.09012	0.2
287.09195	0.4
289.08722	0.3
290.09155	0.2
291.10233	0.4
293.08194	0.2
301.08719	0.4
301.12311	0.3
303.10147	0.3
304.10669	0.1
305.08066	0.4
305.11465	0.2
307.06342	0.1
307.09644	0.3
310.04636	0.4
311.10669	0.2
313.07727	0.2
313.12250	0.2
314.09335	0.2
315.10233	0.3
317.08130	0.3
317.11801	0.2
318.08780	0.3
319.06149	0.2
319.09641	0.6
319.13107	0.3
320.06891	0.3
320.10339	0.2
321.07645	0.3
322.04626	0.3
324.06540	0.2
325.07019	0.8
325.10629	0.2
327.13837	0.2
329.08105	0.3
329.11655	0.7
330.08994	0.2
331.09665	0.2
332.10428	0.1
333.07504	0.3
333.11142	0.2
333.14905	0.2
334.08298	0.5
335.09164	0.5
335.25793	0.4
336.06284	0.6
336.09842	0.2
337.06985	0.5
337.10794	0.2
339.09009	0.4
340.10828	0.1
341.07886	0.2
342.08853	0.2
343.09564	0.3
343.13245	0.3
344.10312	0.2
344.14099	0.1
345.07495	0.2
345.11200	0.5
346.08344	1.4
346.12045	0.1
347.09442	0.6
347.12735	0.6
348.09912	0.9
349.06961	0.2
349.10739	0.5
350.11783	0.1
351.08566	1.4
351.12292	0.2
352.09146	0.1
353.10739	0.1
355.13254	0.2
356.06808	0.2
357.07175	0.2
357.11185	1.7
358.08328	0.7
358.12244	0.3
359.09009	0.2
360.09894	0.3
361.06873	0.4
361.10706	1.8
361.14468	0.4
362.07748	0.4
362.11209	0.3
363.08542	0.5
363.12308	0.5
364.09433	2.3
365.10510	0.3
370.08362	0.5
371.09024	0.4
371.12909	0.4
372.09506	0.2
372.13571	0.5
373.10519	1.3
373.14386	0.2
374.11243	0.2
375.08344	0.4
375.12360	2.9
376.09308	0.5
376.13266	0.3
377.10095	0.9
378.10941	0.5
379.11758	4.7
380.11902	0.1
381.11197	0.1
382.11966	0.5
383.12704	0.3
385.10693	2.8
386.11377	0.4
387.11993	0.2
387.15979	0.3
388.09421	0.4
389.09897	0.4
389.14340	0.8
390.10556	0.3
390.14777	0.4
391.11533	2.0
391.15765	0.2
393.13464	0.2
397.14221	0.5
399.12317	0.5
400.13034	2.9
401.13669	0.4
402.10776	0.2
403.11743	3.4
404.12057	0.2
405.13309	0.4
405.17609	0.2
415.15390	4.5
417.13333	0.3
418.14093	7.8
419.14365	0.3
433.16434	100.0
434.11810	0.1
434.16757	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	433.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01865	0.2
57.03412	0.3
61.02912	0.3
69.03423	2.2
69.67333	1.1
71.04977	0.5
73.02898	0.5
81.03410	2.5
83.04955	0.2
85.02895	5.6
87.04451	0.2
89.51035	0.2
93.07846	0.2
93.08416	0.2
97.02882	3.7
99.04446	3.7
103.03289	0.3
103.03941	4.6
106.67302	0.2
109.02870	2.9
118.74972	0.1
127.03907	100.0
128.04247	0.8
142.96388	0.2
145.04945	3.6
147.04330	0.2
163.05971	0.7
172.52644	0.2
187.06006	1.1
205.07051	0.2
271.08209	0.4
444.91977	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	433.1337
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03935	0.7
61.02924	0.5
69.03424	1.8
69.42909	1.3
69.43336	0.7
71.04984	0.2
72.19940	0.2
73.02901	0.5
81.03416	2.7
83.04964	0.2
85.02899	5.9
90.07629	0.2
97.02891	3.8
98.21483	0.4
99.04451	3.6
103.03939	4.8
109.02865	2.7
127.03909	100.0
128.04230	0.6
138.68759	0.2
145.04951	3.5
163.06052	0.6
169.04890	0.2
187.05978	0.9
205.07053	0.3
237.13809	0.2
238.68300	0.2
259.74951	0.2
271.08133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Galanginin
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.5
55.05495	0.4
56.72013	0.3
57.03448	0.4
57.05904	0.2
58.91168	0.2
59.04976	0.4
64.42457	0.2
65.15505	0.2
69.03416	1.2
70.06570	1.1
71.04987	0.6
72.08144	2.3
75.47527	0.3
81.03421	1.5
83.04984	0.3
84.04499	0.5
84.08125	1.1
85.02895	2.8
86.02448	0.3
86.09679	1.2
87.04444	0.4
89.03912	0.4
91.05473	0.5
95.17719	0.2
97.02882	1.9
98.06074	0.3
99.04440	1.2
103.03917	1.3
105.03397	0.4
107.04974	0.6
109.02870	1.8
116.28213	0.3
119.04890	0.5
120.08101	0.5
120.10360	0.3
121.02834	1.1
127.03909	30.4
129.07008	0.3
129.10242	0.5
134.09677	0.3
135.04359	0.5
137.01341	0.5
137.02327	6.6
141.06940	0.8
145.02876	0.3
145.04941	1.0
147.04433	1.9
153.01826	0.6
161.02310	1.2
163.03970	0.4
163.06003	0.5
169.06485	0.9
173.05980	1.1
177.05469	0.3
178.08604	0.3
181.06453	0.7
183.04388	0.4
185.05620	0.5
185.07098	3.9
187.05995	0.3
187.07544	1.0
194.11763	0.5
197.05936	2.3
200.04720	0.3
201.05443	4.1
213.06638	3.4
215.07047	5.9
218.11752	0.3
225.05441	4.8
229.04964	0.6
229.36348	0.3
243.06590	0.9
253.04993	2.8
256.07306	0.3
271.06000	100.0
271.10773	7.7
272.06332	2.0
283.05905	1.9
297.07520	0.3
313.07025	1.9
323.09085	0.4
337.07077	0.5
343.08432	0.3
349.07120	0.4
367.08069	0.5
397.09238	0.5
415.09991	0.9
432.28452	0.5
433.10901	2.3
433.16431	3.0
433.28726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
51.52649	0.8
52.43377	0.8
53.03931	2.0
55.01855	2.7
55.05496	3.0
57.03424	1.5
61.02914	0.9
67.05487	3.4
69.03420	4.9
69.07059	1.4
71.04970	1.5
71.28812	0.9
71.29140	1.8
79.01836	2.5
79.05473	2.4
81.03415	7.3
81.07055	5.9
83.04948	1.6
84.04460	1.3
85.02406	1.3
85.02895	12.0
85.06537	2.3
89.77466	0.8
91.05460	4.1
93.07048	5.6
95.04933	2.6
95.08598	4.7
97.02881	8.1
97.06502	2.1
99.04441	6.2
103.03951	5.0
105.07004	3.2
107.04933	1.5
107.08582	4.4
109.02859	7.3
109.06454	1.4
109.10130	5.6
119.04931	3.8
119.08568	3.1
121.02857	16.7
121.06522	1.2
121.10129	3.4
123.04414	3.1
123.08057	1.5
123.11691	0.9
127.03903	100.0
129.06978	1.2
131.08528	1.4
133.10117	2.9
135.04370	0.8
135.08104	1.4
135.11693	1.5
137.02391	1.0
137.05977	1.8
139.07521	1.4
139.59077	0.8
145.02835	2.9
145.04935	4.3
145.10104	1.3
147.04385	1.8
147.11655	2.5
149.02307	1.0
149.09567	1.5
149.13278	1.4
151.03903	1.0
151.07516	3.3
153.35342	0.9
157.06436	0.9
159.04335	0.9
159.11702	1.7
161.05986	1.0
161.09595	1.2
161.13043	1.0
163.03920	3.9
163.05957	1.3
163.11205	1.0
164.06975	1.3
165.01797	6.1
165.09157	1.2
167.03366	1.9
167.07036	2.6
175.04065	0.9
177.01816	1.3
177.05441	1.1
179.03310	1.0
181.04970	1.6
183.02888	4.5
187.03951	2.1
187.06015	2.0
191.03380	1.4
191.10646	0.9
193.05008	0.9
195.02921	2.1
205.05038	1.4
207.06493	1.0
213.05418	4.0
213.08899	0.8
217.05008	2.0
222.08350	0.9
227.06995	1.2
233.04370	1.6
241.04974	1.0
243.06500	2.1
255.06487	5.0
256.07324	7.3
259.06039	2.6
261.03906	3.2
267.06531	4.1
269.07938	1.5
270.05331	1.6
270.08533	1.5
271.06003	15.9
271.08725	2.2
279.06409	2.1
281.08014	3.3
283.05981	96.4
284.06732	30.5
285.07468	2.6
295.05997	16.1
295.09375	1.8
297.07513	17.3
297.10825	1.3
307.05917	2.4
308.06790	3.8
309.04037	1.6
309.07498	12.8
311.05493	3.6
313.07013	86.3
314.07449	1.8
321.07495	1.5
323.05685	1.4
323.09076	20.5
325.06961	5.0
327.08624	2.7
333.07599	3.2
337.06995	29.2
343.07996	5.2
349.07053	5.4
351.08685	5.9
361.07016	4.7
367.08084	21.7
379.08072	15.6
397.09125	35.3
398.09360	1.0
415.10162	49.9
433.11252	58.9
436.10190	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
64.95470	0.2
67.01854	0.4
68.99763	0.4
69.03410	0.4
71.94157	0.2
81.03416	0.4
85.02914	0.4
91.05472	0.2
99.04425	0.3
103.03923	0.3
109.02888	0.4
111.00774	0.2
119.04923	1.7
121.02833	0.5
121.40951	0.2
127.03905	5.6
129.70848	0.2
130.85927	0.2
145.02864	0.6
145.04994	0.2
153.01805	4.1
163.03842	0.4
171.02870	0.6
185.83394	0.2
195.18651	0.2
225.05455	0.4
229.04959	0.5
243.06526	0.2
258.77078	0.2
271.05981	100.0
272.06320	2.9
283.06064	0.9
309.07651	0.2
313.06989	0.6
337.07043	0.3
367.08127	0.2
379.08051	0.2
397.08972	0.4
415.10281	0.2
433.11057	1.1
441.73102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Vitexin
Peak:m/z	Relative Intensity
52.97727	0.2
53.03953	0.4
55.01862	1.0
55.05528	0.4
56.95035	0.2
57.03447	0.5
61.02914	0.4
65.03970	0.3
67.05518	0.2
68.99818	0.4
69.03410	2.4
70.06584	1.0
71.05025	0.3
71.62112	0.3
71.62492	0.2
72.08165	0.6
73.02947	0.2
79.05524	0.6
81.03400	1.6
81.07072	0.5
83.05026	0.3
84.08160	0.4
85.02892	4.2
86.09736	0.2
87.04491	0.4
91.05505	0.4
93.07061	0.3
95.04991	0.6
97.02875	1.8
97.06541	0.3
99.04418	0.9
103.03976	0.8
103.05492	0.3
105.03412	0.5
105.07053	0.5
107.04968	1.1
107.08602	0.2
107.74750	0.2
109.02895	1.3
109.06565	0.3
111.04508	0.2
116.07154	0.6
117.07070	0.5
118.04173	0.3
119.04973	0.3
119.08609	0.3
121.02868	2.2
121.10262	0.3
121.31751	0.2
123.04453	0.8
123.08063	0.4
124.14796	0.2
125.05984	0.3
127.03904	11.6
129.06973	0.3
131.04956	0.5
133.02898	0.3
133.06514	0.3
133.10197	0.3
135.04434	0.4
135.08078	0.3
137.02322	8.6
137.05937	0.2
140.04602	0.2
145.04999	0.6
145.06454	1.7
147.04413	0.6
147.08107	0.3
149.02342	0.4
149.05977	0.3
151.03857	0.2
157.06422	0.2
157.08951	0.2
159.08121	0.2
161.02336	1.5
161.05965	0.4
163.03920	0.4
167.07040	1.7
169.06497	0.3
171.08029	0.2
172.05254	0.2
173.05977	4.1
173.07303	0.3
175.03909	0.6
178.08684	1.1
181.04958	1.5
181.06371	0.2
185.06049	0.4
187.03938	0.4
187.06073	0.3
187.07567	0.7
187.11169	0.2
188.07076	0.2
189.01712	0.2
189.05505	0.7
191.03592	0.3
191.08191	0.2
193.05057	0.3
197.06036	0.6
200.04631	0.5
201.05452	21.6
202.05801	0.5
203.03339	1.0
203.07060	0.5
205.09825	0.2
206.08064	0.2
206.53456	0.2
207.02919	0.3
213.05432	0.4
215.06995	5.0
217.04936	0.3
219.02837	0.3
221.04477	0.3
221.08028	0.4
225.05377	0.4
229.04912	2.8
229.09732	0.2
238.13635	0.3
241.04973	0.7
243.06482	1.8
247.10828	0.6
253.04924	1.4
253.15761	1.1
256.07288	0.2
265.11725	0.2
269.04337	0.5
271.05981	100.0
272.06339	2.7
279.06488	0.6
283.05948	0.8
287.05283	0.3
289.11801	0.3
293.08014	0.5
295.05988	0.5
295.09848	0.2
297.04276	0.3
297.07516	0.2
305.07965	0.4
307.06030	1.3
307.09174	0.2
307.12784	0.6
308.06757	1.6
309.07510	0.5
313.07074	1.1
315.05106	0.2
321.07535	2.7
322.08307	0.7
323.09045	0.3
325.07092	0.2
333.07520	1.1
335.09308	0.5
336.06046	0.2
337.06885	0.8
346.08328	0.3
347.08868	0.3
349.06976	2.1
349.10742	0.6
350.07495	0.2
351.08527	1.0
355.07874	0.2
359.09097	1.2
361.06903	0.5
363.08749	0.3
377.10019	0.9
379.07980	0.6
387.08511	1.4
391.14844	0.6
397.09009	0.3
403.08401	0.3
403.13925	0.6
405.09665	2.4
415.08374	1.2
415.14670	0.4
418.65115	0.2
426.18765	0.3
433.09152	15.3
433.15964	2.2
434.09647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Genistin
Peak:m/z	Relative Intensity
51.43258	0.2
51.74863	0.2
58.49582	0.1
61.37597	0.1
61.70003	0.1
63.26075	0.2
68.99782	0.3
69.03412	0.3
70.36098	0.6
81.03424	0.3
85.02895	0.3
89.88826	0.2
91.05461	1.3
97.02879	0.3
99.04398	0.2
101.17106	0.1
107.04945	0.3
111.00780	0.2
119.04923	0.6
121.02853	0.5
125.51960	0.1
127.03056	0.3
127.03902	2.4
131.04912	0.3
135.04372	0.2
141.06931	0.2
145.02832	1.2
145.06514	0.2
147.08072	0.3
149.02342	1.9
153.01825	5.8
159.04399	0.8
165.01843	0.7
169.06454	1.0
173.06041	0.2
181.06467	0.2
183.02948	0.3
187.07533	0.5
187.64087	0.2
197.05963	1.1
200.04668	0.2
213.05482	0.2
215.07021	5.3
225.05429	0.4
243.06525	3.9
253.04897	1.5
270.43488	0.2
271.05997	100.0
272.06332	2.4
283.05972	1.7
284.06912	0.2
295.05960	0.4
313.07159	1.2
323.09033	0.4
327.08270	0.2
337.07101	0.5
367.08435	0.3
379.08124	0.4
397.09274	0.4
415.10242	0.5
433.11359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Vitexin
Peak:m/z	Relative Intensity
57.03434	1.0
59.22333	1.0
68.99776	1.1
69.43634	1.0
69.91108	6.3
75.45500	0.9
78.25144	0.9
79.01846	2.1
79.93210	1.0
81.03416	1.0
85.02887	1.7
90.88404	0.8
91.05488	1.1
96.09141	0.9
98.20824	1.4
107.32149	0.9
109.02858	1.1
119.04933	2.3
121.02858	12.7
128.23643	1.0
136.62756	1.1
138.03145	1.2
141.01862	1.3
143.46652	1.0
143.62929	0.9
145.02875	1.4
147.04366	1.0
149.02362	1.2
163.03877	2.1
165.01833	7.9
167.03415	1.9
177.01846	1.7
177.05450	1.3
181.04924	0.9
183.02873	3.9
187.03827	1.2
194.58601	1.1
195.02924	1.1
213.05472	1.1
217.04958	2.1
239.07196	1.5
242.05829	1.0
243.02951	1.8
249.61250	1.0
255.06575	3.3
256.07275	4.6
267.06464	5.5
270.05240	2.6
271.05994	4.9
281.08093	4.4
283.05978	100.0
284.06738	24.7
285.07233	1.5
295.05969	13.2
295.09338	1.6
297.07544	10.6
305.08035	1.6
307.06161	1.2
308.06772	3.4
309.04102	1.7
309.07538	16.7
311.05615	1.9
313.07013	80.7
314.07510	1.8
321.07544	2.2
323.05408	2.4
323.09061	19.5
325.06940	3.5
327.08661	1.1
333.07593	2.7
337.07056	31.3
343.08112	3.9
349.07248	7.0
351.08618	3.7
355.08267	1.6
361.07089	6.3
367.08072	23.6
379.08023	17.5
397.09134	22.6
415.10187	27.9
433.11279	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	433.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.1
57.03424	0.1
67.01865	0.4
67.05483	0.2
68.99469	0.1
68.99811	0.3
69.03420	0.6
71.04980	0.1
71.29549	0.2
71.29894	0.1
72.08132	0.2
79.05476	0.1
81.03392	0.5
81.07028	0.3
83.04989	0.1
85.02898	0.9
85.06520	0.1
91.05470	0.5
93.07024	0.2
94.61417	0.1
95.04946	0.2
95.08590	0.2
97.02868	0.4
99.04436	0.3
103.03916	0.3
105.06996	0.1
107.08595	0.2
109.02865	0.5
109.06484	0.1
109.10119	0.2
117.22314	0.1
119.04931	1.7
119.08550	0.1
121.02846	0.7
121.10164	0.1
123.11695	0.1
127.03903	7.1
129.01807	0.1
131.04904	0.1
132.04465	0.1
133.10074	0.1
145.02863	0.7
145.04935	0.3
147.04375	0.2
147.11617	0.1
151.03864	0.1
151.07449	0.1
153.01807	3.5
157.07672	0.1
163.03893	0.4
163.06007	0.1
167.07005	0.2
171.02884	0.8
183.02844	0.1
187.03891	0.2
187.06003	0.1
215.07132	0.1
225.05428	0.2
229.04948	0.3
243.06494	0.4
247.06104	0.1
253.18024	0.1
267.06631	0.1
270.05099	0.1
271.05972	100.0
272.06308	2.4
278.11417	0.1
283.05951	2.0
284.06747	0.5
295.06049	0.3
297.07321	0.2
309.07651	0.3
313.07056	1.4
323.08987	0.4
337.07150	0.7
349.07019	0.2
351.08661	0.2
367.08081	0.5
379.08005	0.3
397.09012	0.6
403.82687	0.1
415.10178	0.7
433.11182	1.5
433.16611	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	431.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70623	0.4
55.05509	2.6
57.03423	0.7
57.07061	1.3
61.50671	0.5
64.39955	0.4
64.81059	0.4
67.05499	4.3
69.03421	1.0
69.07071	4.1
69.64535	3.3
71.08633	1.2
71.67226	0.4
79.05480	1.3
80.73565	0.5
81.07061	6.0
83.04974	0.7
83.08626	2.3
85.02907	0.7
85.06543	1.2
90.74683	0.5
91.05466	1.5
91.84480	0.4
93.07039	1.9
95.04974	1.0
95.08602	9.7
97.10146	0.8
105.07038	2.9
107.08573	1.6
109.10139	3.6
111.04429	1.9
111.11703	1.0
112.99290	0.9
113.00017	11.4
119.08551	1.4
121.06512	1.0
121.10139	1.5
123.08057	9.9
123.11706	1.4
125.13307	0.6
131.08533	1.8
133.10143	0.9
135.08060	3.9
135.11681	1.0
137.05994	0.6
137.13234	1.0
145.10078	2.2
149.09595	1.4
149.13278	0.7
151.07530	100.0
152.07809	2.3
159.08057	1.0
161.05954	0.6
162.06706	0.7
163.11139	2.6
165.09113	1.9
167.07053	1.3
169.02600	11.6
173.09602	1.2
175.07625	0.8
176.08296	2.8
177.09085	14.3
177.12679	0.5
187.11176	0.7
190.09915	0.7
191.10661	41.5
192.11058	0.9
203.10785	1.1
205.12228	15.7
217.12183	0.8
219.13844	0.8
263.23615	0.8
402.04968	0.4
413.34607	2.3
431.14957	0.6
431.27509	1.4
431.35559	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	431.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83299	0.9
55.05516	7.8
57.07072	2.6
58.78098	0.9
60.34306	1.0
67.05510	4.7
69.03410	1.0
69.07064	14.2
71.08623	2.3
71.63660	1.5
79.05479	2.1
81.07056	9.9
83.04993	1.1
83.08604	7.3
91.05490	1.5
93.07033	3.7
95.08614	11.2
97.10160	5.6
105.07033	2.7
107.08575	2.0
109.10143	3.7
111.04453	2.5
111.11705	2.6
119.08602	1.1
121.06515	2.0
121.10150	2.9
123.08058	8.7
123.11720	2.3
125.13285	1.3
131.08597	3.8
135.08041	8.3
135.11624	1.5
137.05971	1.3
137.13191	1.3
139.07538	1.2
140.46085	0.9
145.10095	2.2
149.02118	0.9
149.09605	5.0
151.07538	100.0
151.14830	1.0
152.07932	1.8
159.08076	3.6
159.11711	2.1
161.09596	1.2
162.06778	1.2
163.07558	1.5
163.11211	3.1
165.09102	6.7
167.07039	10.9
175.07599	2.0
175.11157	1.2
176.08333	2.6
177.09103	39.7
178.09512	1.0
187.11334	1.2
189.09132	7.9
190.09869	1.8
191.10661	34.3
192.10985	1.1
203.10706	5.1
205.12221	25.1
217.12288	2.6
219.13815	3.0
231.13737	1.5
292.44577	1.0
310.63089	1.0
335.02115	1.0
385.30771	1.1
413.34241	6.7
431.30530	19.0
431.35498	7.1
432.31415	2.7
432.79794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.4
57.07074	0.7
59.67352	0.4
64.13548	0.4
67.05489	2.5
69.03420	0.6
69.07063	2.5
69.40426	1.1
69.40844	2.7
79.05477	1.2
81.07058	2.5
83.04954	0.8
83.08601	1.3
91.05482	0.6
93.07030	1.5
94.16640	0.4
95.08054	0.5
95.08607	7.0
97.10164	0.6
98.21563	0.7
105.07018	1.7
107.04950	3.4
107.08566	0.4
108.05736	0.5
109.06521	0.9
109.10149	1.3
111.04424	1.3
111.11677	0.5
121.06477	0.7
122.07285	5.9
123.08070	10.3
123.11681	0.4
124.08871	0.6
131.08597	0.6
135.08031	3.2
137.05951	2.2
138.06772	0.7
139.07521	0.8
142.53564	0.3
145.10129	0.8
149.05978	0.5
149.09634	0.7
150.06750	14.1
151.07535	100.0
152.08012	7.2
153.05461	1.4
159.08067	0.6
162.06825	0.7
163.07550	1.4
163.11148	1.2
163.97612	0.4
164.08313	2.1
165.09129	0.5
167.07019	1.2
168.07440	0.6
173.09602	1.2
175.07532	1.9
176.08310	1.6
177.09123	3.5
178.09453	1.4
180.92480	0.4
189.09140	2.4
190.09665	0.7
191.08928	0.7
191.10663	14.8
192.11044	1.5
203.10669	0.8
205.12218	3.1
206.12607	1.4
218.12895	0.7
250.23840	0.4
271.69415	0.4
333.52026	0.4
387.32898	0.4
414.34802	6.6
432.35980	67.6
433.36624	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	431.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.3
57.02454	0.8
57.03425	1.6
57.07069	1.4
65.58688	0.8
67.05500	6.8
69.03379	1.1
69.07064	4.6
70.76289	2.8
71.08625	1.3
79.05473	2.6
81.03399	0.9
81.07063	6.0
83.08606	3.6
85.06525	1.2
90.32082	0.9
91.05466	1.8
93.07031	3.2
94.88751	0.8
95.04961	1.3
95.08603	11.7
97.10184	1.8
105.07019	4.2
107.08580	3.2
109.10157	4.7
111.04408	2.0
111.11712	1.7
113.00015	13.5
114.10222	0.8
117.06928	0.9
119.08572	2.8
121.06484	1.4
121.10128	2.3
123.08049	8.7
123.11673	3.4
131.08571	1.8
135.08043	3.5
135.11653	1.5
137.06064	0.9
137.13159	0.8
139.07581	0.9
145.10133	1.8
147.11708	1.1
149.09592	1.6
149.13258	1.4
151.07536	100.0
152.07869	3.4
153.05415	1.5
159.08044	1.0
159.11713	1.0
163.11229	2.1
163.14816	0.9
165.09076	1.7
167.07014	2.3
169.02594	11.8
173.09618	1.9
176.08282	1.6
177.09100	14.2
187.11157	1.2
189.09090	1.2
190.09717	1.5
191.10670	36.5
192.10982	1.3
203.10681	1.3
205.12244	13.9
208.95789	1.0
217.12111	1.0
219.13744	1.3
267.59042	1.1
298.11389	1.1
395.29227	1.1
431.30896	1.8
431.35257	3.8
431.40237	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	431.3155
Annotation	Sargachromanol J
Peak:m/z	Relative Intensity
50.47132	2.3
55.05515	10.5
57.07072	3.5
67.05502	13.3
69.07076	12.9
69.73045	15.4
71.04983	5.5
75.14659	2.2
77.09085	1.7
79.05490	3.4
80.83635	1.8
81.07048	27.4
83.04964	2.4
83.08604	6.0
85.47041	1.9
91.05451	2.4
93.07022	9.6
95.08602	33.5
97.10141	4.9
105.07002	5.5
107.08583	4.9
109.06443	2.1
109.10135	24.0
111.11695	2.8
119.08584	3.1
121.06481	2.4
121.10129	5.9
123.08058	4.6
123.11718	11.7
131.08603	2.5
135.08061	2.9
135.11707	3.8
137.05968	7.8
137.13245	4.0
139.07515	3.5
145.10103	3.9
147.07979	3.4
149.05994	4.4
149.09590	2.9
151.07542	35.3
153.05478	3.8
161.05882	3.3
161.09584	2.7
163.14764	3.3
165.05463	11.8
165.09087	9.4
167.07034	100.0
175.07568	4.8
175.11241	2.5
177.09100	4.9
177.16365	2.1
179.10591	3.3
181.04820	2.5
185.09714	2.3
188.08316	2.0
189.09119	18.2
191.10614	5.1
193.08563	5.0
203.10684	13.1
205.12213	2.2
207.10135	8.2
217.12212	6.8
221.11655	2.9
231.13757	3.7
263.75397	2.1
413.30405	31.2
431.31442	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	431.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.2
54.68980	0.7
55.01863	1.6
57.03426	2.5
58.06598	6.2
61.02918	3.6
66.00793	0.7
67.05501	1.2
69.03429	11.5
70.06583	6.5
71.04984	2.1
71.62559	1.7
72.08149	2.1
73.02907	1.5
74.06070	3.0
79.05484	1.3
81.03403	2.8
81.07096	0.9
82.06586	3.7
84.08135	9.7
85.02905	14.2
86.06030	1.0
87.04471	6.1
90.05544	1.5
96.08143	6.1
97.02891	5.7
98.06036	2.1
98.09688	1.8
99.04427	1.1
100.07608	8.3
101.02407	1.0
102.09184	0.9
105.06979	1.4
107.05013	0.8
108.08076	1.9
109.02884	2.7
109.06504	3.6
109.10154	1.3
110.09674	2.1
110.70260	0.7
112.07584	3.4
114.05588	0.8
118.08649	32.7
120.08091	1.3
122.09703	1.7
124.07610	5.9
124.11218	2.4
126.05505	6.5
127.03893	2.6
134.09648	3.3
135.93808	0.7
136.07552	2.1
136.11203	1.1
138.05501	5.6
138.09135	3.4
139.05803	1.4
140.07080	1.2
146.04623	0.7
146.09668	1.7
147.04468	0.9
148.07533	2.0
150.09134	1.9
150.12779	1.2
152.10699	34.6
160.11250	1.2
162.09117	8.3
164.10703	9.5
166.08496	0.8
174.12767	3.6
176.10806	0.8
178.10677	1.5
178.12259	32.4
180.10178	0.9
190.12259	18.7
192.13840	3.6
193.13359	1.2
196.11784	1.1
202.12274	4.9
218.11836	0.8
220.13310	29.6
221.13676	0.8
238.14384	5.4
246.13489	1.0
251.17543	2.4
261.91534	0.9
268.11768	3.1
269.12521	2.5
269.18594	83.0
270.18842	1.6
282.15408	0.9
431.11435	4.6
431.18124	9.6
431.23880	100.0
432.12872	3.4
432.24402	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	431.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17397	0.6
53.03942	0.9
55.01864	1.0
57.03431	1.6
58.06599	6.5
61.02918	4.3
67.05492	1.2
68.55811	0.5
69.03424	9.7
69.56463	0.7
69.57115	3.7
70.06588	5.1
71.04975	1.9
72.08172	0.8
73.02901	1.2
74.06080	3.0
75.69837	0.6
79.05482	1.5
81.03408	2.7
81.07052	1.5
82.06557	3.4
82.48080	0.7
84.08134	3.9
85.02901	11.4
87.04469	4.4
91.03964	0.9
94.06549	1.1
95.08710	0.7
96.08127	6.1
97.02898	5.2
97.06546	0.8
98.06039	2.6
100.07610	8.9
108.08109	1.9
109.02863	1.5
109.06504	4.1
109.10149	1.8
110.09647	1.1
112.07591	2.8
118.08646	37.8
120.08118	1.4
122.09669	1.2
124.07595	5.1
124.11223	2.8
127.03889	2.1
127.69573	0.7
134.09657	3.3
136.07584	2.5
138.05479	1.2
138.09116	3.4
143.08464	1.0
145.10156	0.6
146.09662	1.0
147.04431	0.7
148.07587	1.9
150.09132	2.0
150.12791	2.8
152.10695	33.0
153.11078	0.7
160.09818	1.0
160.11224	1.9
162.09163	7.3
162.12767	0.8
164.10706	9.9
174.12752	3.4
176.10690	1.2
178.12254	31.4
190.12253	18.9
191.58301	0.7
192.13837	2.7
195.14912	0.9
196.11830	1.1
196.13358	0.7
202.12300	4.8
209.16661	0.9
220.11130	1.3
220.13303	27.3
221.13646	0.9
229.05275	0.8
233.16621	0.8
238.14314	4.8
251.17630	1.3
269.18585	80.0
270.18961	2.1
282.15524	2.0
413.22665	1.4
431.23877	100.0
432.24243	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	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.05502	2.7
57.03429	1.8
57.07063	2.8
59.84568	1.3
62.08126	1.4
67.05502	10.9
69.03423	4.5
69.07072	1.6
69.70348	5.7
69.70771	3.9
70.06580	4.4
72.08155	8.6
81.03394	2.8
81.07055	1.6
83.04945	1.7
84.04485	1.9
84.08128	7.3
85.02911	7.8
85.06514	7.0
86.09702	8.9
91.05474	3.0
93.07054	3.7
95.04955	2.3
95.08604	51.2
97.02886	3.1
99.04459	2.7
105.07037	3.7
107.08575	4.7
108.08112	37.5
109.02793	1.6
109.06519	4.3
109.10122	2.1
109.80342	1.3
112.07590	9.6
113.05959	8.5
113.07958	2.6
119.08587	7.6
121.02859	1.8
121.10147	4.5
123.08064	23.7
127.03930	3.8
131.05093	1.5
131.08545	1.5
133.10143	3.0
135.11725	8.8
136.07680	1.7
137.09526	1.6
145.10136	2.1
147.04393	9.0
147.08055	2.0
147.11716	4.0
149.09619	15.1
150.12764	1.7
151.07565	2.2
152.07103	1.7
161.08350	2.3
161.13229	9.2
163.11205	8.1
165.12784	5.0
167.07071	2.5
176.10707	11.7
177.05551	2.2
179.14378	2.9
182.11766	5.5
189.12717	10.6
207.13792	100.0
208.14157	3.1
225.14824	9.3
232.16989	5.6
250.14468	1.8
250.18047	11.9
268.19351	1.8
308.14816	2.5
309.15247	6.2
310.21329	1.4
356.16779	3.8
412.23105	3.8
430.10287	2.0
430.23288	8.4
443.85327	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	430.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65906	1.0
51.39732	0.9
53.23824	1.1
67.05482	3.4
70.78239	1.1
70.84306	3.8
71.75475	1.1
81.07034	3.6
87.87667	1.1
95.08596	6.4
107.04955	1.5
107.08587	1.2
111.04425	2.1
112.87534	1.1
122.07262	6.8
123.08041	9.9
135.08028	3.1
137.05908	2.2
138.06697	1.5
150.06740	17.3
151.07529	100.0
152.08229	6.2
163.07506	1.8
164.08302	2.7
165.09097	1.4
176.08347	1.5
177.09076	2.9
178.09508	1.2
182.72287	1.3
182.73894	1.1
190.09805	1.2
191.10664	14.5
192.11090	2.0
205.12222	2.4
355.89542	1.2
430.34341	86.1
431.34775	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	430.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.9
55.05504	2.8
57.03435	18.9
57.07067	13.4
59.05001	2.8
61.02917	16.4
63.04485	21.7
65.56828	2.3
67.05484	4.4
69.03426	38.9
69.07070	3.2
70.06589	16.3
71.01346	5.4
71.04988	3.6
71.63173	4.2
72.08156	8.2
73.02909	92.7
81.03412	7.1
84.08126	7.6
85.02900	70.7
86.09700	10.3
87.04464	4.7
91.03949	2.4
91.05481	3.2
93.07030	3.0
95.04922	4.8
95.08571	4.1
95.77682	2.3
96.08135	2.8
97.02882	60.4
97.06521	2.8
98.09719	2.3
99.04450	4.0
103.03906	4.5
108.08098	3.5
109.02862	6.7
115.03915	28.4
116.07069	3.0
119.10686	100.0
121.02878	3.9
121.10139	6.5
123.08063	3.6
124.03975	3.1
127.03905	32.9
133.04950	32.3
145.04980	33.4
147.04402	7.2
149.09583	4.0
153.09151	3.0
161.13316	3.0
163.05997	11.9
204.08722	4.1
207.13835	4.5
215.12827	3.9
223.06000	3.3
241.07091	7.9
250.18022	11.3
251.14923	5.0
254.05687	9.1
259.08078	13.7
268.19019	16.5
269.08057	35.6
277.09381	3.1
281.15839	2.9
285.07584	2.7
295.10260	3.4
430.10284	5.3
430.23572	10.7
454.21045	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	430.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
54.48287	1.7
55.01870	4.9
55.05504	9.1
56.05036	7.6
57.03439	7.3
57.07071	2.0
57.08229	1.8
58.06593	5.2
59.05005	3.0
61.02933	4.7
65.03954	2.5
67.05509	11.7
69.03430	29.0
69.07069	4.7
70.06589	18.7
71.04987	11.7
71.62524	2.6
71.62905	2.6
72.04517	4.5
72.07754	2.0
72.08151	38.9
72.08532	3.0
73.02921	3.6
73.08500	3.1
74.06071	3.8
79.05514	7.3
81.03413	10.0
81.07052	13.3
82.06581	4.4
83.01331	1.9
83.04996	7.1
83.08629	3.4
84.04509	5.1
84.08139	11.7
85.02905	40.8
85.06538	3.2
86.06084	2.5
86.09682	12.3
87.04494	7.0
88.71073	2.1
89.10804	4.2
91.04987	2.5
91.05449	11.7
93.07064	11.9
94.06579	3.4
94.07385	1.8
95.04964	87.2
95.08588	11.7
96.08113	9.2
97.02889	22.2
97.06554	5.3
98.06075	8.3
98.09710	11.3
98.97604	2.4
99.04446	25.2
100.07633	3.1
102.05546	2.6
103.05462	3.8
105.07025	20.6
107.04971	4.5
107.08592	19.8
108.08083	9.0
109.02873	9.0
109.06503	15.9
109.10153	12.9
110.02448	3.9
110.06068	6.5
110.09692	4.3
111.04481	2.2
112.07616	4.2
114.05543	5.2
115.03927	4.9
116.07082	2.4
117.07061	2.5
119.04977	8.1
119.08585	16.8
120.08148	3.4
120.58942	6.5
121.02895	6.7
121.06509	3.2
121.10139	15.1
122.06117	3.5
122.09721	4.5
123.08068	20.3
123.11707	3.6
124.07619	6.6
125.05977	2.4
125.09673	2.3
126.05557	6.2
126.09139	2.9
127.03927	14.5
128.07143	2.2
129.06972	2.0
129.10274	3.3
131.05025	2.6
131.08574	9.9
133.02904	2.3
133.04993	2.3
133.06555	2.1
133.10095	21.8
134.09642	3.7
135.04474	5.1
135.08105	7.7
135.11691	4.6
136.07568	3.2
136.11220	3.8
137.02354	7.3
137.05981	20.7
137.09624	4.1
138.06371	8.3
138.09145	4.4
139.03966	4.2
140.07083	3.6
143.08626	3.1
145.02893	3.4
145.05035	3.3
145.06557	2.2
145.09140	2.2
145.10072	9.4
147.04399	27.0
147.08063	3.7
147.11664	10.3
148.04808	3.9
148.11263	5.6
149.09621	25.1
150.09227	5.1
151.07568	5.2
151.11211	4.4
152.07123	7.1
152.14389	4.7
153.09105	12.6
157.05017	2.5
157.10118	3.4
160.11165	2.2
161.13254	3.8
162.12840	2.1
163.04002	6.0
163.11150	12.2
164.07071	3.5
164.10767	5.1
164.14413	2.3
165.01820	9.3
165.09215	4.4
165.12712	3.0
167.07108	4.9
168.06674	3.0
169.09807	3.7
170.11858	2.3
171.04443	2.5
173.13248	13.0
174.12775	9.6
175.11244	8.9
176.10869	3.1
177.05580	6.1
181.12291	3.1
182.11778	13.6
183.02870	9.1
183.12106	3.0
186.07715	7.0
187.03973	2.2
188.14514	3.6
189.12834	8.0
190.16023	6.3
191.03421	3.6
191.14264	9.4
192.13847	4.1
193.12302	3.4
194.11742	4.6
201.05548	6.7
203.12643	2.3
204.08673	30.6
204.13834	3.7
205.14191	9.2
206.15523	8.6
207.13783	12.6
208.17026	2.4
209.15393	5.6
218.11839	4.2
219.12155	3.0
225.14903	3.4
229.15240	2.0
232.16972	24.2
233.15479	2.9
235.14426	11.5
235.64600	17.6
249.16061	4.7
250.18069	58.4
252.19843	2.1
253.08202	2.1
261.04010	2.5
267.17209	3.8
268.19196	51.0
269.08319	2.3
269.19406	2.2
283.06201	4.1
287.05716	6.0
295.06247	3.2
297.07559	10.3
299.05487	100.0
307.08994	2.3
310.07660	2.1
311.05289	9.7
313.03802	2.2
313.07187	3.5
321.07373	4.6
324.06229	2.7
324.09586	4.5
325.06946	26.2
328.08096	3.5
329.06656	3.7
337.07184	4.0
339.08688	14.5
340.07925	2.6
349.07108	5.2
352.08780	2.9
353.06512	46.5
354.09479	3.7
365.06537	14.3
367.08301	2.8
370.22491	2.2
377.06238	10.0
382.08911	4.3
383.07562	24.5
394.09323	5.8
395.07639	21.8
402.10669	3.0
412.10034	10.4
412.23273	23.3
413.08762	22.6
430.10794	28.0
430.24637	98.8
431.09848	31.1
431.24628	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	429.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05650	2.3
55.05508	15.3
57.07074	14.1
67.05483	7.7
69.07062	26.7
70.57439	5.1
70.57813	4.5
71.08611	9.8
79.05450	2.5
81.07048	17.6
83.08611	19.5
85.10157	5.7
91.05444	3.5
93.07019	13.1
95.08596	21.1
97.10186	13.6
105.07010	4.0
107.08599	3.7
109.06483	3.8
109.10148	8.3
111.11685	7.2
123.08091	2.8
123.11697	8.4
124.26215	2.5
135.08023	3.8
137.05963	8.8
137.13170	2.5
139.07515	4.9
141.05403	4.2
145.10123	3.5
149.05969	5.6
151.07527	16.5
152.01242	2.4
159.11705	3.5
165.05440	9.1
165.09134	6.9
167.07018	100.0
173.09564	2.9
179.06960	3.5
179.10825	3.7
181.08568	3.7
189.09132	3.5
191.07034	4.9
193.08575	9.7
201.09006	2.8
205.08569	7.1
207.10130	9.1
215.10587	4.8
219.10103	6.7
221.11674	4.0
233.11626	5.8
247.13329	5.1
263.27328	5.0
266.09305	2.5
347.25793	5.9
411.32541	3.9
429.33563	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	429.336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.8
57.07069	11.6
67.05500	7.9
69.07064	46.8
70.56525	5.4
71.08615	5.4
79.05488	1.6
81.07050	15.0
83.08620	21.5
85.10156	1.9
91.05496	3.4
93.07041	7.8
95.08604	14.8
96.74773	1.4
97.10165	13.2
105.07033	3.9
106.76097	1.4
107.08600	2.7
109.06512	3.1
109.10141	8.1
111.04487	1.6
111.11700	7.2
119.08545	1.5
121.06548	1.5
121.10170	1.4
123.08062	3.8
123.11697	5.1
125.13281	3.6
131.08607	1.8
133.10066	1.8
135.08032	3.8
135.11740	2.4
137.05946	10.9
137.13229	2.5
139.07518	4.1
141.05473	3.2
145.10181	1.5
147.08078	3.6
147.11679	1.5
149.05981	4.0
149.13130	2.1
151.07532	31.2
157.10114	2.1
159.08015	2.7
159.11606	1.9
161.05934	2.9
161.09560	2.6
163.14708	1.4
165.05463	9.9
165.09055	6.6
165.96126	1.5
167.07030	100.0
168.07419	1.6
169.82535	1.3
173.09651	2.1
175.04573	1.5
175.07538	5.6
175.11089	2.3
177.05493	1.4
177.09114	9.4
178.26366	1.6
179.07007	4.0
179.10680	3.9
181.08578	4.4
182.45509	1.5
189.09103	7.0
191.06979	4.1
191.10551	6.5
193.08658	7.6
195.10205	2.5
203.10692	4.0
205.08591	4.2
205.12225	8.3
207.10147	14.2
217.12271	3.3
219.10143	2.2
221.11755	6.2
233.11691	3.2
235.13373	1.9
247.13306	1.6
249.25780	1.4
291.19412	3.1
347.25775	4.2
411.32401	2.6
429.33679	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	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05506	2.7
57.07069	20.9
60.12997	1.1
67.05483	3.8
69.07050	4.4
69.34814	1.3
69.69912	7.1
69.70329	2.4
71.08624	14.2
79.05495	1.4
81.07050	8.5
83.08617	2.7
85.10165	5.3
91.05463	2.4
93.07013	2.1
95.08584	7.9
98.20736	1.7
105.07017	2.8
107.08589	5.7
109.10139	6.0
111.04407	1.4
111.11699	1.6
119.08576	4.2
121.06500	1.6
121.10132	4.6
122.07265	1.7
123.11713	1.5
131.08542	2.7
133.10204	1.1
135.08011	6.5
135.11700	1.5
137.09599	10.0
137.43213	1.3
139.07535	2.5
145.08980	1.1
145.10083	2.5
149.09610	13.6
149.13210	1.2
151.07507	3.1
155.08575	1.3
159.11665	2.5
163.11183	23.0
165.09099	100.0
166.09396	1.8
173.09560	2.4
173.13248	2.6
175.11177	5.0
177.09079	12.7
177.12715	2.2
179.10591	1.9
187.11195	3.4
191.10626	11.2
201.12732	3.7
203.10805	2.8
203.14366	1.6
205.12222	13.1
219.13797	5.1
233.15356	4.1
247.17142	1.9
275.19904	1.7
289.21704	2.0
290.93753	1.3
303.23245	2.5
317.24631	1.7
359.02875	1.4
373.30725	1.3
401.34225	4.2
411.36130	2.5
429.32449	2.3
429.37253	63.7
430.37790	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	429.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17167	0.6
53.03964	0.7
55.01871	0.8
55.05508	5.3
57.03441	1.6
57.07069	0.7
58.06602	1.1
61.02907	0.8
63.24566	0.7
67.05502	7.0
69.03425	4.7
69.07072	2.2
70.06580	4.0
71.04978	3.5
71.06873	0.9
71.07209	1.1
72.08148	61.2
73.02918	1.2
79.05525	1.2
80.21693	0.6
81.03407	3.7
81.07068	0.9
83.05002	1.4
84.08137	60.3
85.02900	10.9
85.06561	2.3
85.08486	1.4
86.06066	0.7
86.09702	3.7
89.10809	2.4
91.05495	1.8
94.06595	0.8
95.04963	9.0
95.05437	0.8
96.08141	0.7
97.02878	4.4
98.02438	1.9
98.06074	1.6
98.09688	1.7
99.00847	1.5
99.04469	1.5
100.11256	3.1
101.06012	4.8
103.04018	0.8
105.07051	1.0
107.04995	2.8
107.08609	1.1
109.02921	1.9
109.06539	0.8
110.02393	25.5
110.03127	1.3
111.04455	0.6
112.07594	4.0
115.08714	1.1
116.07108	0.7
117.10299	0.6
119.04915	2.9
121.02943	1.7
121.06602	0.7
122.06045	0.7
123.04475	1.0
123.11701	0.7
124.07613	1.3
127.03905	3.5
128.10709	32.8
129.05528	1.2
129.11078	0.9
131.04906	1.0
135.04446	1.1
137.05995	1.4
140.07060	7.0
144.10239	1.0
145.02887	1.3
145.04976	0.6
145.06560	1.0
146.11705	3.9
147.04387	9.7
148.04764	1.0
150.07870	1.2
151.03963	1.1
152.07053	22.4
154.08656	1.4
156.01717	0.6
161.06004	0.8
163.03946	1.5
164.04274	1.2
164.07248	0.7
165.06868	0.7
167.05699	0.7
167.07043	1.5
169.09715	21.7
169.11092	1.2
170.08102	6.0
177.05547	1.7
178.08655	0.7
180.10304	0.9
182.08116	5.1
182.11772	1.4
183.08160	1.7
187.10942	1.7
199.07587	1.1
206.08270	2.0
214.11775	0.7
218.11888	2.5
226.63249	1.2
228.07903	1.8
235.14561	2.8
236.14923	0.8
242.09436	1.8
242.15305	0.7
243.10226	0.8
265.15717	0.8
272.15143	1.0
272.64029	0.6
281.08237	0.9
284.11337	1.6
290.16174	2.6
291.16446	2.5
295.09756	0.9
323.09140	0.6
359.02969	1.0
394.16617	0.8
411.19214	9.4
412.18158	1.3
429.22137	100.0
430.22440	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2103
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03110	0.3
53.03933	0.5
55.05497	1.2
56.96559	0.6
57.03420	0.5
58.06574	0.4
59.04987	0.3
61.02898	0.5
67.05494	0.4
69.03416	1.8
69.07050	1.0
69.28619	3.7
69.59692	0.3
70.06246	0.3
70.06581	2.3
71.01357	0.3
71.04996	0.5
72.08153	17.0
73.02904	0.4
73.08504	0.3
79.05476	0.6
79.70020	0.3
81.03392	1.4
81.07056	0.5
83.04900	0.3
84.04509	0.7
84.08138	3.0
85.02899	3.8
85.06512	0.3
85.08447	0.4
86.03204	0.3
86.06046	0.6
86.09695	1.9
87.04463	0.3
89.10781	0.6
91.05375	0.4
91.05801	1.0
95.04940	0.5
95.08578	0.4
97.02892	1.1
98.02420	0.4
98.06036	1.1
98.09677	0.6
98.21510	0.6
98.97577	0.8
99.04479	0.4
100.07614	0.5
101.06004	0.9
105.07018	0.6
107.04965	0.9
109.02864	0.6
109.06526	0.4
109.10161	0.4
110.02398	7.8
111.04411	0.4
112.07594	0.6
115.08673	0.5
116.98580	0.4
119.01994	0.3
119.04934	1.4
119.08611	0.4
120.08062	0.4
121.02813	0.5
121.06481	0.5
121.10153	0.4
123.04397	0.4
124.07549	0.3
127.03915	1.5
128.03398	0.5
128.10699	1.1
129.10225	1.7
137.06020	0.7
137.07083	0.3
138.05479	0.5
140.07005	0.4
145.02859	0.8
145.05016	0.3
145.06448	0.9
146.11734	0.7
147.04401	5.4
147.08061	0.4
147.11748	0.4
148.04781	0.6
149.04352	0.3
151.03966	0.4
152.07053	5.7
161.09430	0.3
163.03882	0.7
164.07050	1.0
164.47157	0.3
167.05597	0.6
167.06987	0.7
169.09723	6.3
170.08112	2.2
177.00639	0.3
177.05481	0.9
180.10049	0.7
181.10490	0.6
183.08006	0.4
203.05313	1.4
204.10184	0.3
218.11711	1.1
235.14380	0.9
237.02832	0.4
242.09494	0.6
242.15172	0.4
249.14799	0.4
265.08600	0.3
266.58246	0.3
267.13379	0.6
267.16934	0.3
268.11804	0.4
291.16422	0.6
292.43198	0.3
295.09586	0.4
297.94791	0.3
329.15729	0.5
359.02707	0.8
399.19946	2.2
406.24658	0.4
411.19351	3.0
412.17743	0.5
412.99240	0.3
429.20905	100.0
430.16907	0.4
430.21429	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	429.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17167	0.6
53.03964	0.7
55.01871	0.8
55.05508	5.3
57.03441	1.6
57.07069	0.7
58.06602	1.1
61.02907	0.8
63.24566	0.7
67.05502	7.0
69.03425	4.7
69.07072	2.2
70.06580	4.0
71.04978	3.5
71.06873	0.9
71.07209	1.1
72.08148	61.2
73.02918	1.2
79.05525	1.2
80.21693	0.6
81.03407	3.7
81.07068	0.9
83.05002	1.4
84.08137	60.3
85.02900	10.9
85.06561	2.3
85.08486	1.4
86.06066	0.7
86.09702	3.7
89.10809	2.4
91.05495	1.8
94.06595	0.8
95.04963	9.0
95.05437	0.8
96.08141	0.7
97.02878	4.4
98.02438	1.9
98.06074	1.6
98.09688	1.7
99.00847	1.5
99.04469	1.5
100.11256	3.1
101.06012	4.8
103.04018	0.8
105.07051	1.0
107.04995	2.8
107.08609	1.1
109.02921	1.9
109.06539	0.8
110.02393	25.5
110.03127	1.3
111.04455	0.6
112.07594	4.0
115.08714	1.1
116.07108	0.7
117.10299	0.6
119.04915	2.9
121.02943	1.7
121.06602	0.7
122.06045	0.7
123.04475	1.0
123.11701	0.7
124.07613	1.3
127.03905	3.5
128.10709	32.8
129.05528	1.2
129.11078	0.9
131.04906	1.0
135.04446	1.1
137.05995	1.4
140.07060	7.0
144.10239	1.0
145.02887	1.3
145.04976	0.6
145.06560	1.0
146.11705	3.9
147.04387	9.7
148.04764	1.0
150.07870	1.2
151.03963	1.1
152.07053	22.4
154.08656	1.4
156.01717	0.6
161.06004	0.8
163.03946	1.5
164.04274	1.2
164.07248	0.7
165.06868	0.7
167.05699	0.7
167.07043	1.5
169.09715	21.7
169.11092	1.2
170.08102	6.0
177.05547	1.7
178.08655	0.7
180.10304	0.9
182.08116	5.1
182.11772	1.4
183.08160	1.7
187.10942	1.7
199.07587	1.1
206.08270	2.0
214.11775	0.7
218.11888	2.5
226.63249	1.2
228.07903	1.8
235.14561	2.8
236.14923	0.8
242.09436	1.8
242.15305	0.7
243.10226	0.8
265.15717	0.8
272.15143	1.0
272.64029	0.6
281.08237	0.9
284.11337	1.6
290.16174	2.6
291.16446	2.5
295.09756	0.9
323.09140	0.6
359.02969	1.0
394.16617	0.8
411.19214	9.4
412.18158	1.3
429.22137	100.0
430.22440	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31276	0.5
55.05498	1.3
55.24900	0.4
69.03412	1.1
69.43714	1.1
69.44118	4.1
70.06583	2.1
71.04982	0.9
72.08156	12.1
76.76895	0.5
81.07046	1.0
84.04504	2.0
84.08125	1.2
85.02907	3.0
85.67984	0.5
86.06072	0.7
86.09697	1.0
89.10783	2.1
89.96199	0.5
90.82088	0.5
91.05796	1.4
93.07034	0.7
95.04977	0.5
97.02884	1.2
98.06046	0.6
98.09721	0.5
98.98506	0.5
105.07072	0.6
106.06554	1.2
107.04980	0.9
110.02406	2.8
117.03342	0.7
119.01904	0.7
119.04947	1.6
121.06499	16.6
127.03900	0.6
130.05023	2.7
133.10107	0.7
137.05975	0.6
138.09134	7.1
145.02795	0.8
147.04404	12.3
148.04784	1.0
152.07088	1.8
161.02977	0.7
163.03915	0.6
169.09752	1.9
170.08101	0.7
171.08223	0.5
177.05420	1.7
218.11717	3.3
234.62965	0.6
235.14404	1.6
239.11229	0.5
248.12840	0.6
250.10741	2.6
257.56406	0.5
267.13385	10.9
291.14435	1.2
309.15533	0.6
411.18762	1.1
412.17728	0.8
428.70090	0.7
429.20923	100.0
430.21371	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	429.2012
Annotation	Kopsiloscine B
Peak:m/z	Relative Intensity
52.48481	0.5
55.01868	1.0
55.05504	4.0
56.96555	1.0
57.03444	0.9
69.03435	1.6
69.07067	1.5
70.06593	4.3
71.05012	1.1
71.53362	0.6
71.53723	0.9
72.08154	100.0
73.06609	0.5
73.08491	1.0
76.87691	0.5
79.05497	0.7
80.01336	0.6
81.03416	1.3
81.07064	1.3
82.02941	0.7
82.06583	1.3
83.04988	0.9
84.08136	4.7
85.02898	5.9
86.06070	0.6
86.09721	2.6
89.10792	3.2
91.05433	1.6
91.05894	0.8
93.07030	1.3
95.04963	1.7
95.08601	0.9
97.02900	2.0
98.02430	3.7
98.06046	2.8
98.09691	0.5
99.00820	3.9
100.07623	2.4
101.06000	1.2
103.05534	0.6
105.07024	0.8
107.04955	3.9
109.02905	1.2
109.52764	0.5
110.02398	56.6
115.08693	1.3
116.03472	1.5
117.03382	0.8
119.04936	5.0
121.02907	0.8
121.06547	0.8
123.04448	0.7
124.07666	0.7
127.03918	2.4
128.03419	4.8
128.10728	1.2
129.10234	1.3
131.04884	0.7
137.02338	1.3
137.06009	2.1
145.02844	3.0
145.04980	1.1
145.06485	1.1
146.08147	0.9
147.04396	15.2
147.05492	0.9
148.04790	0.6
149.06030	0.9
152.07059	44.2
153.07288	0.7
154.08707	0.7
161.05975	0.6
163.03958	2.7
164.04269	1.3
164.07170	0.5
165.07047	1.3
167.05585	1.0
169.09718	42.9
170.08109	17.4
175.07552	0.7
177.05450	5.1
177.06714	0.6
178.05835	0.9
180.10249	0.9
181.10507	0.6
183.08099	1.7
187.10838	1.6
203.05406	0.7
203.07065	0.7
207.08159	1.2
211.07568	2.0
218.11781	3.6
228.07794	2.6
235.07635	1.5
235.14401	3.6
242.09366	4.9
243.10094	1.5
247.13454	0.9
248.12811	0.7
263.06982	0.9
265.15521	1.5
267.10123	0.9
267.16928	1.1
290.16031	0.9
291.16406	0.9
295.09818	1.2
323.09048	1.0
361.88892	0.5
393.17938	0.7
394.16562	2.1
411.19196	8.7
412.17450	5.9
429.20486	86.2
430.21100	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	429.2017
Annotation	CHEMBL1738698
Peak:m/z	Relative Intensity
53.03933	0.5
55.01863	0.8
55.05506	3.4
66.36543	0.5
69.03424	1.3
69.46986	0.5
70.06583	3.4
71.04987	0.6
71.62939	0.5
72.08149	100.0
73.04732	0.4
73.08485	0.8
79.05482	0.5
79.83254	0.5
80.01343	0.6
81.03403	1.1
82.02949	1.4
84.08127	1.4
85.02897	1.8
86.09683	0.8
88.31803	0.5
89.10773	1.5
91.05463	0.6
95.04961	0.8
97.02887	0.8
97.06525	0.6
98.02424	2.8
98.06043	2.3
98.09683	6.3
99.00797	3.9
105.07053	0.5
107.04953	2.9
110.02393	55.2
111.02701	0.6
115.08654	0.8
116.03437	0.9
119.04957	1.2
121.02856	1.0
121.06472	0.5
123.04392	0.7
127.03877	2.3
128.03415	4.2
131.04944	0.6
137.05962	1.3
138.05476	0.5
145.06474	0.8
147.04396	3.0
152.07054	47.4
161.05928	0.9
165.06947	1.0
169.09714	52.4
170.08116	21.1
170.09349	0.3
175.07454	0.7
177.05482	0.9
181.06435	0.5
181.10483	0.6
183.08020	1.1
184.06049	0.7
187.10788	1.4
199.07571	0.6
207.08121	1.2
211.07526	1.7
223.13272	0.5
228.07808	1.1
235.07468	1.8
235.14352	0.6
241.08176	0.5
242.09274	3.4
242.64998	0.5
243.10126	1.0
252.07584	0.6
253.08540	0.5
263.07010	1.0
267.10013	1.0
267.14093	0.5
277.08582	0.7
281.08212	0.7
295.09531	2.0
303.10468	0.4
323.09119	1.3
342.36664	0.5
393.18188	1.0
394.16513	2.4
411.19077	11.5
412.17432	5.0
429.20172	51.3
430.20422	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
56.05014	0.7
57.03411	0.8
61.02916	0.6
69.03421	2.5
70.06577	1.7
70.96586	0.9
72.08150	2.4
73.02879	0.4
77.03924	0.4
81.03394	0.6
84.04496	14.9
84.08112	1.1
85.02415	0.4
85.02896	5.0
86.06055	0.7
87.04405	0.4
89.10777	0.6
91.05433	1.9
93.07041	3.7
95.04930	0.9
97.02872	1.8
98.06045	0.5
99.04458	0.4
102.05526	0.7
103.05430	2.3
105.07046	0.3
109.02821	0.3
110.02373	0.6
119.04895	0.8
120.32766	0.4
121.06491	100.0
122.06826	2.1
126.05502	0.4
127.03890	0.8
130.04990	14.6
138.09126	36.4
139.09500	0.5
145.04874	0.4
147.04405	3.3
148.04811	0.3
148.07462	0.5
152.07115	0.6
167.05533	0.3
169.09782	0.6
170.08087	0.4
177.05608	0.4
190.12296	1.1
202.82808	0.4
204.10150	4.2
206.11771	0.5
212.09213	0.7
218.11740	2.3
220.13286	0.4
221.12778	2.4
235.14346	0.6
247.13071	0.4
249.15929	2.8
250.10727	17.9
251.11147	0.5
267.13376	61.7
268.13788	2.2
309.14481	0.6
411.17868	0.8
429.20999	16.9
430.21420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1543
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
57.07008	0.6
62.30962	0.5
67.05417	1.3
69.06998	0.9
71.62070	0.5
71.62490	0.5
74.17315	0.6
79.05405	0.8
80.71163	0.4
81.06956	1.6
85.02789	0.6
93.06959	1.3
95.04826	0.6
95.08481	1.6
100.82924	0.5
105.06934	1.1
107.08482	1.3
109.06493	0.5
109.10011	1.0
119.04919	0.5
119.08495	1.2
121.10032	0.8
123.07978	0.7
123.11558	0.7
133.02658	0.6
134.03490	1.7
143.08458	0.5
147.04297	1.6
149.02313	5.3
151.03850	1.0
151.07498	2.8
167.06944	0.7
177.09059	0.6
191.03310	1.4
191.10573	0.7
193.04904	4.5
198.06538	0.6
205.04973	0.8
205.12328	0.5
209.04303	1.1
227.06886	0.9
237.07431	0.8
247.05821	0.7
267.06473	2.0
275.10300	0.5
279.06461	0.7
293.08023	1.0
295.05838	1.4
296.06781	3.9
307.09540	0.7
308.06842	0.7
313.06934	0.7
321.07718	1.0
323.05402	3.3
323.09018	1.3
324.06256	56.4
325.06601	1.9
332.10196	0.7
335.09143	2.1
336.06238	1.5
337.07071	1.5
338.08026	1.1
339.08606	93.9
340.08969	3.1
341.06409	0.8
349.07080	0.8
349.10974	0.7
351.08527	2.7
351.12170	0.6
353.10159	1.6
357.09650	37.7
358.09848	1.3
360.09851	3.8
361.10382	0.8
363.08524	3.7
364.09378	1.6
365.10086	0.8
365.14087	0.9
371.11169	0.7
375.12292	5.0
377.10355	0.9
378.11002	9.5
381.13293	1.1
385.09308	1.4
393.13287	26.9
394.13760	1.1
396.12128	1.1
399.14368	5.4
411.14349	47.7
412.14850	1.9
429.15515	100.0
430.16129	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	429.1542
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.84235	0.7
53.03938	0.9
55.01872	0.9
55.05507	4.4
57.03418	1.5
57.07051	1.5
59.04981	0.8
63.22591	0.6
64.14639	0.6
67.05494	7.3
69.03418	4.0
69.07065	4.8
69.41836	6.3
71.04962	1.5
72.08177	1.0
75.70799	0.7
79.05476	4.4
79.11035	0.7
81.03405	2.2
81.07053	9.8
83.04961	3.1
83.08602	2.0
85.02884	2.1
85.06534	3.1
91.05415	4.0
93.07029	7.5
95.04941	3.2
95.08591	11.5
96.71236	0.8
97.02880	2.6
97.06504	2.3
97.10153	1.4
105.03368	0.8
105.07026	5.5
107.04929	1.6
107.08576	7.8
109.02872	2.6
109.06512	1.9
109.10151	6.9
111.04428	1.7
111.08068	1.5
117.07010	1.8
119.08559	5.3
121.02851	1.7
121.06472	1.7
121.10168	5.1
123.04410	1.4
123.08033	5.1
123.11724	2.8
125.05961	1.1
125.09598	0.9
127.03934	2.4
128.06187	0.9
129.07021	1.4
130.07825	0.8
131.08537	2.5
133.10114	4.0
134.03578	1.2
135.08055	1.9
135.11697	2.6
137.05972	3.0
137.09610	1.3
137.13229	1.3
139.03889	1.6
139.07494	1.3
139.11203	1.0
143.08522	1.6
145.02844	0.8
145.06516	0.8
145.10117	3.7
147.04405	2.0
147.08038	1.3
147.11670	2.8
149.05960	1.1
149.09627	2.0
149.13243	2.3
151.03877	2.3
151.07532	33.3
151.11180	1.1
152.07907	0.8
153.05470	2.3
157.06502	0.8
157.10098	1.5
159.11707	3.0
161.05933	1.3
161.09555	1.3
161.13264	1.1
163.07527	1.5
163.11191	2.2
165.05417	0.9
165.09113	3.0
167.06995	5.0
171.11682	1.8
173.06026	0.8
173.09593	1.2
173.13274	1.5
174.06770	1.1
175.07628	1.1
175.11139	1.2
175.14822	1.0
177.05591	0.8
177.09068	6.2
179.10663	0.9
181.04994	1.3
181.08574	1.1
181.12175	1.2
183.08084	0.8
187.04079	0.9
189.05482	1.1
189.09074	3.0
191.10664	9.6
193.08478	0.9
198.06639	1.2
201.09018	1.1
203.10687	2.6
205.12195	5.3
209.08041	0.9
213.05609	1.1
217.12268	1.0
219.10115	1.0
219.13884	0.8
226.06175	0.9
227.07008	1.3
229.04942	1.4
231.06497	0.9
231.13843	1.5
239.06905	0.9
243.06596	0.9
243.13773	0.8
245.08015	1.3
245.15428	1.3
245.22499	0.8
247.05957	1.2
263.06842	0.7
267.06519	1.0
280.07294	1.0
287.10529	0.9
293.08005	0.9
295.05920	1.2
296.06805	1.5
303.10242	0.9
303.58441	0.8
307.06168	0.8
307.09576	2.4
308.06778	0.9
317.08145	1.0
321.07520	2.0
321.11148	1.1
323.09048	2.4
324.06256	17.1
325.06927	1.5
335.09076	4.1
336.06134	2.8
336.09836	1.5
337.07132	1.3
339.08591	27.5
340.08917	1.2
341.09445	1.8
343.09497	1.1
349.06934	1.7
349.10748	1.5
350.07623	1.6
350.11511	1.6
351.08551	6.7
351.12225	1.0
353.10364	1.1
357.09653	7.1
360.10052	5.2
363.08701	7.6
364.09305	1.4
365.10217	2.8
369.09625	1.0
375.12173	8.9
378.10995	18.5
393.13272	51.7
393.27109	1.4
394.13666	1.8
396.12048	0.9
411.14340	100.0
411.28625	2.9
412.14691	2.9
429.15295	20.5
429.21112	0.8
429.29410	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	429.1538
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05509	2.3
57.07051	0.7
59.04983	0.9
65.03913	0.5
67.05505	4.5
68.13018	0.4
69.03405	1.8
69.07069	3.2
69.46602	0.7
69.47009	4.1
71.04980	1.2
72.08126	0.5
79.05491	1.3
81.03390	0.9
81.07051	4.6
82.98708	0.5
83.04964	1.0
83.08610	1.2
85.02893	1.0
85.06503	0.7
88.95166	0.5
91.05457	1.7
93.07063	3.0
95.04939	0.7
95.08599	8.6
97.02871	0.8
97.10175	1.1
98.21479	0.6
103.03872	0.5
103.05418	0.7
105.07050	2.8
107.04983	0.8
107.08584	1.8
108.05698	0.8
109.10117	2.4
111.11683	0.6
113.09628	0.5
117.06975	0.6
119.04827	0.5
119.08555	1.3
121.06490	0.6
121.10121	1.3
123.08069	8.7
123.11694	1.4
125.06051	0.7
133.02840	0.6
133.10129	1.6
134.03603	0.7
135.04448	0.6
135.08061	0.8
135.11671	1.2
137.05930	0.8
137.13219	0.6
144.50894	0.5
145.06332	0.6
145.10124	1.0
147.04401	0.9
147.11673	1.0
149.02342	3.4
149.13254	0.6
151.07532	87.5
161.13196	0.6
163.03908	1.0
163.11157	1.0
165.09081	1.3
167.07010	1.6
173.02391	0.5
175.07510	0.6
175.11169	0.9
177.09113	2.1
187.03975	0.8
187.14726	0.7
189.09018	1.2
191.03410	0.5
191.10670	8.0
193.04982	1.7
196.25838	0.5
203.06903	0.5
203.10680	1.5
205.12218	5.8
207.10086	0.5
219.13748	0.7
251.06900	0.7
259.30392	0.5
267.06564	1.7
277.74280	0.5
279.57999	0.6
291.26871	0.8
295.05890	0.7
296.06805	2.0
303.08621	0.8
311.05463	1.4
313.07150	0.5
323.05496	1.4
324.06262	23.4
325.06870	1.5
335.08966	0.8
336.06223	1.3
337.07050	1.6
338.07788	1.2
339.08612	33.6
340.08859	1.2
350.07584	0.6
350.11734	0.7
351.08551	3.1
353.10294	1.3
357.09720	9.1
360.10071	1.5
363.08630	2.1
364.08960	0.6
365.10162	1.0
365.14230	0.6
369.09650	1.9
375.12332	2.3
378.10953	3.2
385.09274	0.8
393.13324	8.4
411.14404	6.3
411.32678	1.6
414.13092	1.4
429.15479	100.0
429.24997	3.1
429.33759	1.9
430.15979	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	429.154
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
58.31671	0.5
65.38192	0.5
67.05484	0.9
69.03436	0.5
69.07072	0.8
70.83667	1.3
70.84016	0.6
76.99187	0.5
79.05469	0.7
81.07036	1.1
84.19463	0.5
91.05464	0.6
93.07037	0.7
107.08614	0.6
107.84875	0.6
109.10098	0.6
119.08588	0.8
119.79457	0.5
134.03653	0.7
137.05962	1.1
147.04350	0.6
151.03926	0.9
151.07523	2.6
152.85263	0.5
161.02353	1.3
165.05469	1.2
171.04448	0.6
187.03899	0.8
189.01807	0.8
191.03409	1.3
191.10721	0.7
193.05086	0.6
196.04912	0.6
202.02617	1.9
203.03397	0.8
207.10143	0.9
219.02841	1.1
220.03632	1.9
227.07024	1.1
229.05000	1.3
235.09616	0.8
236.08302	0.6
239.07079	0.7
251.06845	0.7
267.06494	1.8
268.07178	0.8
279.06506	2.1
280.07269	0.9
291.06580	1.6
295.06204	1.4
295.09778	1.5
296.06793	2.4
307.05936	1.4
307.09558	1.2
308.06818	2.1
311.09442	0.8
319.06079	1.8
321.07663	1.2
321.11145	1.2
322.04736	1.6
323.05533	1.6
323.09143	3.1
324.06265	28.5
325.06985	1.4
333.11432	0.7
335.05466	2.4
335.09186	3.5
336.06287	10.6
337.07043	5.5
337.10620	1.1
337.14246	1.1
338.07971	2.8
339.08606	47.3
340.09091	0.8
349.07013	0.8
349.10828	0.8
350.07751	0.9
350.11591	0.8
351.08591	37.7
352.09128	0.6
353.10205	2.3
355.08096	1.4
357.09692	1.5
360.09772	0.7
361.10495	0.9
363.08694	4.2
365.13815	5.2
369.09714	3.0
375.12173	1.1
377.10324	0.8
378.10916	6.8
393.13287	42.2
394.13892	0.9
411.14343	65.8
412.14429	1.2
429.15421	100.0
430.15952	3.2
435.96219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1543
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.46703	0.2
51.52290	0.2
65.64893	0.2
67.05455	0.8
68.91213	0.2
69.07040	0.3
71.14688	0.5
79.05434	0.4
81.06994	0.4
91.05423	0.3
93.03351	0.2
93.07014	0.4
95.08572	0.4
105.03356	0.3
105.06972	0.3
107.04897	0.4
107.86475	0.2
109.10094	0.5
119.08533	0.3
130.39452	0.3
131.08522	0.3
133.02794	0.5
134.03584	1.0
137.02211	0.4
137.05956	0.4
141.06915	0.2
142.07784	0.2
143.00992	0.2
147.04382	0.3
149.02255	0.2
151.03926	1.1
151.07533	1.2
155.04837	0.3
161.05945	0.4
163.03938	0.4
165.09071	0.7
167.06981	0.3
170.07213	0.5
173.05949	0.3
185.05856	0.3
189.01738	0.3
189.05394	0.2
191.03337	0.4
195.07933	0.4
198.06676	0.6
199.07384	0.3
200.08052	0.2
201.05437	0.7
202.02911	0.2
203.03293	0.3
203.06961	0.4
205.12202	0.3
213.05377	0.9
219.02885	0.2
223.07491	0.4
225.05463	0.4
226.06175	0.4
227.07095	1.3
229.04977	0.8
229.08475	0.3
231.06396	0.4
233.04315	0.2
235.07608	0.3
239.06920	0.3
244.07492	0.3
247.05981	0.9
249.09090	0.3
251.07027	0.4
252.08005	0.2
259.11267	0.3
261.09070	0.7
262.08301	0.4
263.07086	0.4
265.08478	0.3
266.09430	0.3
267.06525	0.9
275.10587	0.3
279.06516	1.2
279.09799	0.4
280.07144	0.3
283.05908	0.2
287.10544	0.4
289.08582	0.6
291.06555	0.3
291.10202	0.4
293.08041	0.9
295.06100	0.5
296.06741	0.7
303.10181	1.4
305.08060	0.3
305.11597	0.3
307.06317	0.4
307.09604	1.5
308.03635	0.2
308.06763	1.3
309.07382	0.4
311.05563	0.3
311.08957	0.3
312.06223	0.3
313.07092	0.7
315.09970	0.3
317.08109	0.8
319.06039	0.3
319.09607	0.5
321.07486	1.3
321.11243	1.1
322.08228	0.4
322.11908	0.3
323.05539	0.6
323.09064	1.1
324.06253	12.8
325.06763	0.5
327.08603	0.4
331.09708	0.6
332.10413	0.7
333.07410	0.3
333.11005	0.4
335.05591	0.4
335.09116	3.8
336.06223	2.9
336.10013	0.6
337.07053	0.7
337.10703	0.5
338.07907	0.3
339.08609	18.4
340.08987	0.4
343.09470	1.0
345.07785	0.6
346.08289	0.4
347.08920	0.3
347.12851	0.4
348.06189	0.6
349.06985	0.7
349.10730	0.7
350.07758	1.3
350.11591	0.6
351.08578	3.8
351.12357	0.5
353.10153	0.6
357.09686	4.5
359.09241	1.1
360.09891	5.8
361.10608	0.6
363.08585	7.4
364.09357	1.4
365.10129	1.9
365.13943	0.6
369.09680	0.7
375.12262	8.2
377.10123	1.1
378.10971	15.6
379.11282	0.6
393.13297	37.0
394.13571	0.9
396.11749	1.0
411.14352	100.0
412.14661	2.5
429.15677	1.8
429.29666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1535
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05500	2.8
57.07058	1.2
61.02891	0.9
65.03932	1.2
67.05508	8.7
69.03433	2.3
69.07062	4.9
69.49030	2.1
69.49432	7.4
79.05483	3.5
81.03405	1.7
81.07037	9.8
83.04948	1.1
83.08607	2.3
83.22763	1.0
85.02892	1.4
85.06535	2.1
91.05405	1.6
93.07030	5.5
95.04964	2.0
95.08591	8.4
97.02875	3.0
97.10166	1.9
105.07037	2.9
107.08583	5.1
109.10120	5.2
111.08064	1.4
117.07021	1.1
119.08578	2.9
121.10158	2.3
123.04381	1.3
123.08072	3.3
123.11705	2.4
127.03918	1.3
133.10106	4.3
135.08090	1.3
135.11626	1.6
137.05957	2.0
137.13235	1.7
139.07504	2.1
143.08572	1.3
145.10094	3.3
147.11641	1.7
149.02301	1.3
149.13245	1.5
151.03976	1.1
151.07533	16.1
153.01857	2.6
153.05469	2.1
159.11691	2.2
161.09581	1.2
161.13217	1.4
163.14839	1.2
165.09134	1.1
167.07045	19.2
167.08434	2.2
171.11713	1.3
173.09698	1.0
173.13469	1.2
177.09120	3.2
187.07494	1.0
187.14984	1.0
189.01797	1.1
191.03600	0.9
191.10579	5.2
193.05048	1.7
203.03352	1.6
205.12251	3.1
208.72917	1.1
217.12195	1.3
226.06187	1.2
226.66371	0.9
227.06854	1.2
239.06926	1.4
251.07088	1.2
267.06525	4.6
276.30618	1.0
279.06439	1.4
295.06064	2.1
296.06900	3.4
306.05377	1.9
307.06033	1.9
311.05731	1.1
312.06332	3.4
323.05615	6.2
323.09204	1.6
324.06250	48.8
325.06946	3.0
326.07990	1.6
327.05212	1.7
327.08585	8.4
335.09238	2.5
336.06314	6.2
337.07031	7.4
339.08597	96.2
340.08990	2.9
341.10196	2.7
345.09363	2.5
351.08643	14.9
354.07358	1.2
357.09702	10.2
360.10150	1.5
363.08710	3.3
365.10172	3.3
365.14145	1.9
369.09619	19.8
375.12271	4.9
378.10904	8.7
383.14832	4.9
393.13293	23.1
396.11716	1.3
411.14346	100.0
412.14670	2.9
429.15454	86.0
429.33743	4.3
430.15686	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1542
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05456	0.7
61.13132	0.4
61.78924	0.3
65.30036	0.4
67.05439	1.5
67.05760	0.5
69.03365	1.1
69.07006	1.0
69.44001	3.5
79.05425	0.6
81.07054	2.3
83.08565	0.5
85.06504	0.4
91.05406	1.0
93.06976	1.1
95.04910	0.6
95.08594	1.9
98.20769	0.7
105.03352	0.5
105.06949	1.3
107.04883	0.8
107.08511	1.0
109.10085	0.9
109.11459	0.4
119.08544	0.8
121.06405	0.5
121.10083	0.8
122.03552	0.5
123.04409	0.4
123.07981	0.7
123.11617	0.6
129.06961	0.6
131.04828	0.4
131.08479	0.6
133.02797	1.3
133.06432	0.4
133.10095	0.7
134.03592	0.6
135.04366	0.6
135.07974	0.5
135.11632	0.6
137.05911	1.4
142.07675	0.4
143.08572	0.6
145.10039	0.8
147.04384	0.8
149.06015	0.4
150.03040	0.9
151.03915	2.2
151.07544	5.0
153.05339	0.4
159.04369	1.0
161.09476	0.4
163.03873	0.5
163.11121	0.5
164.31281	0.4
165.05460	3.5
165.09109	3.0
167.07085	2.3
171.08006	0.8
173.05954	0.5
173.09619	0.7
175.03783	0.4
177.09001	1.0
179.08505	0.5
183.08055	0.7
185.05931	0.5
189.09082	0.6
191.03375	0.6
191.10579	1.4
195.08000	0.4
197.05905	0.5
199.07439	0.6
200.08266	0.5
201.05420	1.0
201.09053	1.9
203.03401	0.6
203.06992	1.3
205.12167	0.9
213.05299	0.4
213.09055	0.5
217.08549	0.4
225.05508	0.5
226.06232	0.5
227.07013	3.9
229.04955	4.4
229.08473	0.4
231.06421	0.9
233.09395	0.4
241.08411	0.6
243.06471	0.4
244.06903	0.5
245.08032	1.0
247.05844	0.8
251.06963	0.5
265.08640	0.7
267.06421	0.7
279.06586	1.0
279.10132	1.1
287.10745	0.5
289.08578	1.0
293.07907	1.1
295.06088	0.5
295.09619	0.7
296.06757	1.4
297.07602	0.4
297.10953	0.4
303.10043	0.9
304.10919	0.5
305.11649	0.6
307.06308	0.6
307.09567	3.8
308.06857	0.9
308.10181	0.5
310.08237	0.4
311.09039	0.6
313.06790	0.5
317.08002	1.5
318.08783	0.7
319.05850	0.5
319.09500	0.6
321.07458	1.9
321.11206	2.1
322.08173	0.7
322.11652	0.6
323.05655	0.7
323.09070	0.9
324.06262	11.5
325.06839	1.3
325.10538	0.7
327.08478	1.1
331.09714	0.7
332.10315	0.8
333.11176	0.9
335.05615	0.6
335.09091	13.0
336.06201	2.3
336.09857	0.9
337.14056	0.5
339.08603	18.9
340.08823	0.5
345.07495	1.4
346.08197	1.0
347.08850	0.7
347.12711	0.7
349.06897	1.9
349.10785	1.4
350.07596	1.6
350.11563	1.1
351.08575	4.4
351.12247	0.6
357.09756	3.8
359.09183	1.0
360.09872	3.5
361.10577	1.5
362.07681	0.5
363.08609	12.3
364.09262	1.4
365.10010	1.6
365.13919	0.9
375.12238	6.5
377.10208	2.8
378.10947	19.8
379.11182	0.7
393.13284	100.0
394.13724	3.2
411.14343	81.9
412.14694	2.4
429.15417	30.2
429.33890	1.1
430.15701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1542
Annotation	5,7-Dihydroxy-3'-(2-hydroxy-3-methyl-3-butenyl)-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05424	1.2
57.07000	0.6
60.69534	0.3
65.03861	0.5
66.93512	0.4
67.05401	3.2
67.45518	0.4
69.03339	1.2
69.03653	0.4
69.06963	2.9
70.98772	0.4
71.08528	0.6
71.62593	0.6
73.27032	0.4
79.05380	1.4
81.03338	0.8
81.06945	5.4
81.07452	0.5
83.04904	1.0
83.08498	1.3
85.02804	0.8
85.06474	0.8
85.33869	0.4
87.87286	0.4
91.05369	1.4
93.07027	3.1
95.04826	1.2
95.08485	7.8
97.02792	0.7
97.06435	1.0
97.10085	0.8
99.08036	0.5
105.07015	3.1
106.10257	0.5
107.04870	0.6
107.08585	2.3
109.02766	0.7
109.06418	1.0
109.10156	2.9
111.04355	0.7
111.11646	0.4
116.98515	0.4
117.06941	0.4
119.04887	0.5
119.08465	1.7
121.02738	0.4
121.06364	1.3
121.10006	1.5
123.04314	0.4
123.08063	3.6
123.11575	1.5
125.05848	0.6
127.03857	0.8
131.08447	1.0
133.02710	0.9
133.09995	1.5
134.03532	1.0
135.04269	0.5
135.07910	1.5
135.11588	1.3
137.05876	1.0
137.09503	0.5
137.13155	0.4
139.07486	0.5
141.06830	0.6
142.07613	0.6
145.06430	0.5
145.09987	1.8
147.04327	1.1
147.11612	1.0
149.02234	0.6
149.09451	0.6
149.13239	1.0
151.03743	1.8
151.07533	42.9
153.05383	0.6
153.06886	0.7
155.08406	0.6
157.10036	0.8
159.04289	0.6
159.07945	0.6
159.11598	0.8
161.05867	0.5
161.09503	0.8
163.03751	0.9
163.07457	0.6
163.11017	1.1
163.14670	0.5
165.05348	1.2
165.08949	1.5
166.10942	0.5
167.07042	2.8
170.07187	0.6
171.07880	0.7
171.11615	0.5
173.09532	0.8
173.13167	0.6
175.03743	0.5
175.07472	0.9
175.11058	0.6
176.08182	0.5
177.09106	3.8
177.12666	0.5
181.04819	0.5
183.07915	0.9
183.11569	0.4
189.08961	1.2
189.12689	0.5
190.09776	0.5
191.03207	0.8
191.08934	0.6
191.10652	10.4
193.04832	1.1
199.07439	0.6
199.11066	0.6
200.08295	0.6
201.05319	0.9
201.08907	0.9
203.06831	0.7
203.10559	1.2
205.10248	0.5
205.12187	4.0
209.04321	1.1
211.07504	0.4
213.05353	0.9
215.10597	0.5
217.12119	0.7
219.08047	0.5
227.07027	2.1
229.04816	1.8
229.08453	0.5
229.11987	0.4
233.04585	0.5
239.06920	0.7
241.08563	0.5
244.07198	0.5
247.05873	1.7
251.06767	0.7
253.04988	0.4
267.06427	1.2
279.06464	1.0
279.09833	0.6
285.18585	0.5
289.08795	0.4
293.07925	1.3
295.05997	0.5
296.06644	1.4
303.09982	1.5
304.10959	0.6
305.11334	0.5
307.06171	0.9
307.09500	2.3
308.06699	0.9
311.05310	0.5
312.06204	0.5
313.06897	0.5
317.08014	0.5
321.07416	1.5
321.11124	1.8
322.12009	0.6
323.09186	1.1
324.06253	13.9
324.10040	0.9
325.06631	1.8
326.06821	4.2
327.08414	1.3
331.09576	0.9
333.11191	0.7
335.09027	7.3
336.06357	2.6
336.09793	0.8
337.06854	1.1
338.07440	0.6
339.08594	21.2
340.08969	2.7
341.09222	6.9
345.07498	0.7
347.12680	0.6
349.06854	1.4
349.10797	0.8
350.07568	1.0
350.11429	1.0
351.08563	5.8
351.12320	0.6
353.10016	0.8
355.07974	0.7
357.09631	4.2
358.09558	0.8
359.09973	2.3
360.09772	5.7
361.10635	0.8
363.08597	8.9
364.09314	2.0
365.09708	2.2
365.13763	1.0
369.09494	1.1
375.12238	8.4
377.09915	1.4
378.10925	20.6
379.11505	0.8
383.14459	0.8
393.13266	60.1
394.13632	2.0
396.11920	0.8
411.14319	100.0
411.32721	1.2
412.14767	2.1
429.15195	19.0
429.34155	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	429.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40960	2.3
54.90638	1.9
55.01876	2.4
55.05529	2.1
57.03453	2.2
58.06619	2.1
60.97609	1.9
69.03410	6.9
70.06580	6.7
70.92838	5.3
70.93185	2.7
72.08148	26.6
73.02907	2.9
80.43723	2.0
84.04478	2.5
84.08139	6.5
85.02870	11.8
86.06041	3.0
86.09705	5.7
87.29893	2.2
89.10783	8.5
96.08136	3.4
97.02897	5.2
98.06040	6.2
98.09679	3.6
98.97593	4.4
99.04502	2.9
100.07610	3.8
110.09654	4.4
114.09069	2.5
114.10336	2.1
114.69964	2.6
115.08697	3.3
119.04907	3.4
121.06477	6.3
124.11211	6.5
127.03905	5.6
137.70470	2.0
138.09109	3.1
145.02811	2.7
145.05009	3.8
147.04369	15.9
150.05469	4.5
162.09172	2.5
164.10716	3.2
173.01195	3.7
176.10786	2.3
177.00700	2.5
177.05423	4.8
205.04729	4.0
207.14882	4.5
213.03331	2.8
218.11729	4.3
220.06012	4.1
229.06606	4.9
235.14326	2.6
247.04828	2.8
251.87816	2.2
267.08194	2.8
267.13385	5.1
267.17120	6.0
267.20654	14.6
273.07263	4.6
283.20041	3.4
284.20590	4.4
298.22031	2.3
300.53220	2.6
335.89523	2.4
345.40060	3.1
370.07907	2.5
393.20270	2.5
410.57349	2.5
411.21216	8.1
429.11993	100.0
429.21997	41.5
430.11627	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	428.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91807	0.8
52.88992	0.7
53.03996	2.3
55.01904	1.1
55.05559	12.8
56.05074	1.4
57.03486	1.9
58.06652	4.1
59.05049	2.1
61.02978	1.3
67.05555	2.0
69.03430	6.5
69.37550	5.9
70.06649	3.3
71.05032	1.7
72.08156	9.7
73.02914	3.3
73.06622	0.8
81.03420	5.7
81.07103	1.1
83.04977	9.7
84.07441	2.0
84.07661	2.8
84.08138	67.0
85.02898	15.0
85.06606	3.1
85.08527	1.0
86.09685	3.4
87.04527	2.2
91.05517	1.6
93.07120	0.9
95.05006	1.1
97.02881	8.3
97.06545	1.0
98.09701	4.2
98.21455	1.3
99.04444	3.5
100.11322	2.8
101.05372	1.5
101.06007	36.8
105.07087	2.5
109.02872	3.3
110.02456	1.6
111.04501	2.5
117.03402	0.8
119.04935	3.4
121.02936	3.1
121.06577	1.3
124.07671	0.7
124.11266	1.1
127.03933	8.5
128.10706	34.7
133.06549	2.0
140.07138	0.7
144.10263	1.4
145.02943	2.2
145.05035	2.3
146.11746	25.0
147.04413	12.7
148.04845	1.5
149.06044	1.2
152.07103	1.2
161.05971	4.1
162.09200	1.2
163.03952	2.7
163.07533	1.4
165.05579	0.8
169.09753	1.5
174.05420	0.8
177.05489	6.8
179.07031	0.8
180.10208	3.5
181.08612	0.8
182.08221	0.9
183.11246	0.9
188.07268	0.7
188.12825	1.0
193.08658	1.1
206.08176	1.5
207.06667	0.7
209.08194	0.7
218.11852	1.8
230.13824	2.1
232.09828	0.7
233.63860	0.8
234.07521	0.7
237.02817	0.7
242.15242	6.1
242.65273	0.8
253.08000	0.7
254.13878	3.1
266.10153	1.2
266.13803	1.6
272.14902	13.1
272.38272	0.8
290.15958	100.0
291.16254	3.6
294.83554	0.7
308.16998	17.0
384.20023	1.0
428.18930	49.2
429.20135	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	428.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36148	0.2
55.01853	0.2
55.05495	0.4
55.25141	0.2
56.05013	0.4
57.03424	0.3
58.06591	0.3
61.02909	0.3
67.05510	0.2
69.03426	1.3
69.07057	0.3
70.06577	1.9
71.04984	0.5
71.06934	0.3
71.26090	0.2
71.62882	0.3
72.08157	2.5
73.02895	0.4
79.05473	0.4
80.04990	0.4
81.03400	1.1
83.04942	0.3
84.04505	1.4
84.08127	1.0
85.02905	1.9
86.06039	0.3
86.09715	0.5
87.00827	0.2
89.10806	0.3
91.05470	0.9
95.04964	0.4
96.04459	0.3
97.02896	1.1
97.06525	0.5
98.09657	0.3
99.04428	0.4
102.05531	0.4
103.03915	0.5
105.07005	0.5
107.04932	0.7
108.04464	0.3
108.08060	0.2
109.02857	0.7
109.06409	0.2
110.02375	0.6
110.06012	0.4
110.07117	0.3
111.04462	0.3
112.07610	0.3
114.05508	0.7
115.08669	0.3
116.07076	0.4
117.07045	0.5
119.04958	1.1
119.08530	0.3
120.08096	1.3
121.02840	0.5
121.10178	0.5
122.05962	0.3
123.11694	0.3
124.11226	0.6
125.05984	0.3
126.05535	0.3
127.03922	2.5
132.08107	0.2
133.05252	1.6
133.06075	0.3
134.06013	1.5
134.09622	0.8
134.99615	0.2
138.05504	0.8
140.07048	0.3
143.07018	0.3
144.08067	0.3
145.02788	0.3
145.04945	0.4
147.04396	3.6
147.06795	1.2
147.07913	0.2
149.09563	0.6
152.06987	1.2
160.07555	0.3
161.05937	0.3
162.09134	11.7
169.09683	0.4
175.03882	0.5
177.05435	0.3
180.10182	100.0
181.10519	1.6
195.02837	0.2
197.00342	0.2
204.08719	0.5
206.08269	0.2
207.06499	1.3
207.13780	0.2
218.11682	1.2
220.09735	0.3
222.11226	0.6
225.07506	0.6
226.58226	0.2
226.62971	0.3
230.15324	0.3
235.14375	2.6
248.09306	0.3
248.12798	0.4
248.16460	0.3
253.89278	0.2
266.10260	1.7
266.13348	0.2
266.17645	0.6
295.05920	0.6
296.06329	1.7
308.06433	0.4
309.07169	0.4
321.07245	0.3
322.07938	0.8
326.07407	0.5
331.09747	0.3
335.13718	0.2
338.07358	0.4
342.15549	1.1
350.07303	0.9
352.09149	0.2
364.09387	0.3
364.60822	0.3
380.08359	0.6
392.08453	0.8
410.09402	1.4
428.10236	1.6
428.15442	6.2
428.22522	2.8
429.20767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3934
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
52.00971	1.1
55.05504	10.2
57.07057	5.5
67.05503	26.2
69.07064	16.6
69.55898	1.0
69.71597	8.8
71.08623	2.2
72.08025	1.1
79.05492	8.0
81.07051	57.2
83.08618	8.8
91.05451	4.9
93.07033	19.8
95.08600	100.0
96.08924	1.7
97.10172	3.5
99.08077	1.5
105.07000	5.8
107.08577	25.3
109.10152	74.4
110.10541	1.3
111.11725	5.8
119.08562	12.0
121.10132	28.1
123.08045	1.2
123.11704	25.4
125.13272	1.4
133.10127	9.6
135.11687	14.5
137.13246	34.5
145.10100	3.3
147.11723	8.0
149.13239	15.0
151.07614	1.5
151.14816	4.1
159.11745	2.7
161.13240	9.4
162.49542	1.1
163.14822	12.0
167.07019	14.0
173.13266	2.7
175.14784	5.7
177.16365	7.7
179.14302	4.3
179.17937	2.7
186.96828	1.4
187.14778	2.6
189.16380	10.5
189.17950	1.7
190.16727	1.3
191.17909	15.2
191.19380	1.8
193.19588	2.0
201.16376	2.4
203.17944	6.6
205.19524	11.7
215.18008	1.8
217.19510	3.6
219.21043	5.6
229.19469	3.9
231.21068	3.9
245.22704	1.4
257.22610	2.9
259.23996	2.4
271.24213	2.7
312.72964	1.2
409.30383	1.7
409.33075	1.6
409.38257	18.3
427.31210	1.9
427.39737	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05508	25.4
57.07074	20.7
62.58480	4.0
67.05499	9.0
69.07069	38.9
70.80869	7.8
70.81212	7.4
71.08634	12.2
72.04514	8.2
79.05550	7.7
81.07055	16.7
83.08614	28.9
83.11437	4.3
88.02209	18.3
88.83609	4.4
89.23315	3.9
89.43458	4.5
93.07058	15.1
95.08595	22.2
97.10175	16.4
105.07019	12.3
107.08603	16.3
109.10159	15.0
111.11720	10.0
119.08603	14.6
121.10137	12.2
123.11714	7.6
133.10167	7.9
135.11673	13.4
137.09633	7.2
145.10123	4.7
149.09642	19.5
149.13269	5.5
159.11693	5.0
161.09625	5.2
161.13358	5.1
163.11124	7.2
165.09119	97.8
177.09134	10.5
177.12646	5.8
189.12669	5.0
191.10704	19.0
203.14398	5.0
205.12262	10.5
219.13823	5.8
219.17429	6.4
231.13748	9.5
316.13611	7.0
322.53967	4.7
409.34512	15.4
427.35880	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	427.357
Annotation	HMDB12167
Peak:m/z	Relative Intensity
50.75454	1.5
53.75174	1.6
55.05508	8.5
56.79433	1.6
57.00312	1.8
57.07073	3.5
67.05502	11.1
69.07069	15.6
69.93333	10.5
75.28322	1.6
77.62610	1.8
79.05481	4.9
81.07059	24.3
82.07381	1.9
83.08614	7.2
85.06552	1.9
91.05470	7.0
93.07038	13.7
95.04945	3.5
95.08036	3.5
95.08605	40.4
97.10188	2.2
105.07041	12.8
107.08594	27.1
108.75997	1.8
109.06517	3.4
109.10153	24.6
111.11729	3.4
119.08559	15.7
121.06523	3.0
121.10149	20.1
123.08091	3.5
123.11697	10.0
125.09615	1.7
131.08589	5.0
133.10120	13.0
135.08064	4.0
135.11703	15.7
136.12033	1.7
137.09644	2.4
137.13258	6.3
143.08603	3.9
145.10161	10.4
147.11691	7.8
149.09654	5.6
149.13275	8.4
155.10692	2.6
157.10110	3.0
159.11722	5.1
161.13286	5.6
163.14850	8.6
165.09088	4.8
171.11734	3.7
173.13257	4.1
175.11258	2.5
175.14832	6.6
177.16324	4.4
183.11534	2.5
185.13254	3.8
187.14816	3.2
189.16342	3.5
191.17892	3.1
199.14859	3.1
201.16367	2.6
203.14326	6.7
203.17906	1.9
205.16013	2.3
215.17950	3.5
217.19553	2.4
229.19534	1.9
231.21255	2.0
245.22594	1.9
253.19527	3.5
257.22668	2.0
259.20688	9.5
271.20605	6.6
325.28833	4.6
329.42807	1.9
339.26605	2.3
391.33652	5.2
409.34644	53.8
410.34848	2.4
415.24704	1.9
427.35748	100.0
428.36035	6.0
429.09360	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.3
57.07067	5.7
61.67059	2.4
67.05505	15.9
69.03424	13.1
69.07057	23.5
70.04374	15.1
79.05479	8.7
81.07055	39.5
83.08595	10.6
91.05482	8.9
93.07031	21.6
94.95794	2.9
95.04973	6.0
95.08044	4.2
95.08604	50.7
95.09190	2.0
96.08936	3.2
97.10168	6.4
105.07039	16.9
107.08591	44.2
108.08930	3.3
109.06503	3.7
109.10168	35.5
111.08063	6.4
111.11694	3.9
119.08584	23.8
121.06494	15.6
121.10133	33.9
123.08080	8.1
123.11687	17.8
129.06993	4.0
131.08534	7.2
133.10129	27.8
135.08058	48.9
135.11705	32.2
137.09662	4.7
137.13225	14.3
142.54010	2.4
143.08551	2.6
145.10069	12.6
147.11659	15.6
149.09615	4.5
149.13254	19.6
157.10114	3.9
159.11687	15.4
161.09593	6.2
161.13252	16.9
163.11197	15.2
163.14798	12.8
167.07033	7.0
171.11623	5.4
173.09624	4.3
173.13217	10.0
175.11168	7.3
175.14812	9.4
177.12732	3.9
177.16382	6.1
179.14240	2.8
185.13330	3.4
187.11185	8.8
187.14821	9.8
189.12718	5.3
189.16307	7.3
191.17902	21.5
199.14948	3.2
201.12596	6.7
201.16386	10.7
203.14397	4.8
203.17929	10.1
205.15875	12.2
207.92868	3.0
213.16461	4.8
215.17978	5.4
217.15858	3.5
217.19556	3.8
219.17448	17.6
229.19580	2.9
231.17426	5.1
243.17354	12.6
259.20557	6.2
273.22110	12.0
311.23560	3.3
339.26843	6.0
340.27533	9.6
353.28525	5.1
381.31543	49.6
382.31683	4.1
409.34836	22.6
427.31763	100.0
427.35886	89.0
428.31500	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3568
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
53.03946	0.2
55.05502	1.8
57.07062	0.6
59.04986	0.2
64.99353	0.1
67.05501	2.7
68.72801	0.2
69.03419	0.2
69.07063	3.0
69.32851	0.1
69.36333	1.5
71.04992	0.2
71.08626	0.4
73.87894	0.1
79.05487	2.3
80.44766	0.1
81.07051	7.1
83.04972	0.3
83.08619	2.1
85.06542	0.5
85.74261	0.2
86.98637	0.1
91.05473	2.3
91.97739	0.1
93.07038	6.5
95.04965	0.7
95.08598	10.9
96.08915	0.3
97.06516	0.8
97.10155	0.7
98.21528	0.3
105.07018	5.1
106.45718	0.1
107.04935	0.3
107.08588	11.2
109.06519	1.6
109.10147	5.2
109.10898	0.1
111.08085	0.9
111.11719	0.3
113.25500	0.2
117.07021	0.9
119.08573	7.0
121.06520	0.9
121.10134	6.5
121.11008	0.4
123.07166	0.3
123.08060	6.2
123.11695	2.7
125.09641	0.5
127.33780	0.1
129.07008	0.4
130.07858	0.2
131.08554	3.6
133.06468	0.3
133.10124	6.7
134.10513	0.2
135.08060	1.3
135.11685	8.0
137.09602	0.8
137.13246	0.8
139.11166	0.3
143.08575	1.0
144.09337	0.3
145.10112	5.2
147.08069	0.2
147.11678	6.5
149.09619	1.0
149.13251	3.7
151.07532	0.2
151.11220	1.0
151.14822	0.3
157.10126	1.5
158.10847	0.2
159.11679	4.5
161.09657	0.3
161.13243	3.5
163.11162	0.3
163.14810	4.0
164.15234	0.2
165.09140	0.2
165.12791	0.3
169.10118	0.2
171.11661	1.0
172.12489	0.3
173.09584	0.2
173.13242	2.2
175.11205	0.5
175.14809	2.3
177.12750	1.1
177.16333	2.2
179.14288	0.5
185.13266	0.9
187.14806	5.6
189.12767	0.4
189.16370	8.0
191.14299	0.6
191.17984	1.5
193.15842	0.3
197.13243	0.3
199.14778	1.5
201.16367	4.2
203.14424	0.3
203.17949	4.6
205.15863	7.8
207.17422	6.7
208.17757	0.2
211.14722	0.3
213.16399	1.1
215.17937	2.3
217.15909	0.3
217.19508	0.5
219.17430	2.3
225.16425	0.3
227.17848	0.7
229.19518	1.1
231.21106	0.2
239.17961	0.4
241.19510	0.6
243.21123	0.4
245.22850	0.2
253.19508	0.4
255.21074	2.3
257.22708	0.3
267.21179	0.3
269.22650	1.3
273.22122	0.2
281.22568	0.3
285.22287	0.2
287.23730	0.3
295.24191	0.3
297.25458	0.2
299.23627	0.2
305.24545	0.2
313.25113	0.3
321.25830	0.2
331.26270	7.7
332.26553	0.3
341.28183	0.2
357.27850	6.5
358.28305	0.3
372.28976	0.2
391.33514	0.8
409.34769	3.0
427.35699	100.0
428.36084	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76654	0.6
51.01904	0.6
55.01865	0.9
55.05490	2.3
58.94465	0.6
60.05640	1.3
60.14790	0.5
64.64379	0.6
69.03403	2.5
70.06588	1.8
71.62250	0.8
72.08152	17.0
81.03406	1.0
84.08141	1.9
85.02910	3.5
87.04437	0.7
87.07954	0.9
89.10804	1.6
91.05489	1.2
92.56919	0.6
95.01308	0.9
96.08123	2.0
97.02888	1.6
97.07659	1.3
98.06058	3.8
98.09689	8.2
98.97630	0.7
100.08703	1.0
101.08338	0.6
107.04936	1.1
112.07600	6.9
114.09145	2.1
114.10290	8.9
115.08685	2.7
119.04946	5.3
121.06484	1.8
123.04411	1.4
127.03892	0.9
131.12920	2.9
133.06483	1.8
134.09663	1.6
145.06470	2.3
147.04410	17.6
148.04759	1.2
148.11203	4.7
150.12750	1.1
157.10869	1.7
161.05949	2.2
163.03909	0.8
173.06013	2.3
177.05458	1.3
187.07571	2.3
188.07048	1.2
189.05457	2.0
190.08592	1.1
196.19044	0.7
197.05940	2.5
199.07565	1.6
201.05435	0.8
213.05524	0.8
215.07013	5.5
217.13467	0.9
218.11783	2.4
219.12219	0.8
225.05498	1.2
226.63168	1.3
235.14430	6.6
235.64571	1.2
242.11940	0.9
243.06544	4.2
247.18045	68.2
248.18391	2.1
260.13406	1.1
265.19107	100.0
266.19516	3.3
278.17355	0.6
284.13824	1.0
319.17535	3.1
332.14917	0.9
337.18628	1.7
346.03317	0.8
382.73193	0.6
391.19751	2.1
409.20718	10.6
427.22205	42.3
428.22589	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05508	13.1
56.49076	0.7
56.65816	0.8
57.03432	0.9
57.07069	5.7
58.25351	0.8
67.05162	1.4
67.05505	20.3
69.03416	1.0
69.07064	18.1
70.81776	1.7
70.82151	2.6
71.04979	0.8
71.08620	1.2
73.06541	0.9
79.05480	9.1
79.05897	0.9
81.03398	1.2
81.07053	53.9
81.31187	0.7
83.04977	1.5
83.08620	14.1
83.17142	0.9
85.10164	0.8
91.05472	6.1
93.06464	1.6
93.07039	22.1
95.04977	2.0
95.08601	100.0
96.08935	2.2
97.02904	0.8
97.06538	1.5
97.10153	5.5
99.08080	1.3
105.07017	14.0
107.08590	30.5
108.08905	1.0
109.06532	1.7
109.10153	39.7
111.08090	2.4
111.11754	1.9
117.07034	2.4
119.08566	16.5
121.10139	26.6
123.08105	2.4
123.11703	17.6
125.09628	1.1
129.06998	1.0
129.09161	1.6
131.08580	3.8
133.10118	13.1
133.11047	1.1
134.10501	0.9
135.08069	1.8
135.11676	16.4
136.11993	0.8
137.09538	0.8
137.13249	31.5
139.11182	1.0
143.08475	1.6
145.10123	7.3
147.08032	1.0
147.11662	12.3
149.09624	1.5
149.13251	13.3
151.14830	3.1
157.10168	4.1
159.11681	8.2
161.09630	0.9
161.13235	9.7
163.11217	2.8
163.12627	0.9
163.14844	9.8
167.07112	1.1
169.10172	1.7
171.11757	2.3
173.13242	4.6
175.14790	5.8
177.08963	0.8
177.12808	1.1
177.16422	4.3
183.11734	1.4
185.13312	1.6
187.11273	1.2
187.14830	4.4
189.16368	9.6
190.16971	0.8
191.10884	0.8
191.14355	1.6
191.17946	36.2
192.18466	0.8
193.19427	0.9
197.13138	1.1
199.14883	2.2
201.16344	4.1
203.14355	0.9
203.17957	5.9
205.15921	2.7
207.13860	1.0
209.15456	2.9
211.14732	0.8
213.16570	1.1
215.18037	2.2
217.16042	0.9
217.19495	7.8
219.17490	3.7
223.16922	4.8
227.17909	1.2
229.19597	1.2
231.21022	1.4
235.16896	6.9
236.30760	1.0
237.18466	13.6
241.19601	3.1
257.22675	1.6
259.20660	3.2
275.20264	0.9
277.21790	2.4
285.22110	1.1
297.85867	0.8
317.24759	0.9
366.35236	0.9
391.33490	1.7
409.34763	3.3
414.61902	0.9
427.19839	2.3
427.35880	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	427.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	2.8
56.04994	0.3
57.03389	0.5
61.02915	1.3
63.54985	0.2
65.03883	0.8
67.05463	0.4
68.04990	0.3
68.99751	0.4
69.03428	2.5
69.60081	0.4
69.60483	1.5
70.06535	0.7
71.04940	0.5
72.08151	1.4
73.02874	0.5
79.05428	0.8
81.03388	1.0
81.07019	0.4
82.06567	2.1
83.04937	0.3
84.08135	2.2
85.02898	3.3
86.09631	0.4
87.04438	0.3
89.10735	0.3
91.03938	0.2
91.05469	1.2
93.03336	0.9
93.06973	0.6
95.04912	0.7
96.08089	0.3
97.02898	1.8
98.05997	0.7
99.04420	0.4
100.07619	2.6
103.05412	0.4
105.03320	0.7
105.06949	0.6
106.06512	0.3
107.04975	1.4
108.08055	0.6
109.02871	1.5
110.02398	0.3
110.05971	0.6
111.04440	1.2
112.07533	0.7
115.03871	0.2
115.05385	0.5
119.04941	5.0
120.05232	0.3
120.08022	0.5
121.02856	19.8
121.03761	0.7
121.06406	0.9
122.03143	0.6
122.06029	1.0
122.09578	0.7
123.04440	0.2
123.06784	0.2
126.09045	0.3
127.03909	4.3
131.04863	1.0
132.07950	0.3
133.02774	0.6
133.06464	0.2
133.53743	0.2
134.05936	0.2
135.04335	0.9
136.07549	1.7
137.02264	0.2
138.09096	0.5
139.03850	0.3
143.04906	0.3
145.02849	2.8
145.04863	0.4
145.06461	0.4
147.04385	3.2
148.04724	0.5
148.07472	0.4
149.02272	0.5
149.05916	0.6
150.09137	4.5
151.03862	0.4
152.07030	0.2
153.01921	0.2
156.08112	0.2
159.04420	1.1
161.02284	0.7
161.05927	0.5
162.09062	0.2
163.03951	1.1
164.07036	1.4
166.08580	0.4
167.03339	0.4
167.07021	0.3
171.04358	0.6
173.02350	0.5
173.05830	0.2
174.09090	0.4
175.03896	1.5
176.01041	1.2
177.01799	1.7
177.05371	0.8
178.08623	12.2
179.03372	1.3
180.10143	0.4
181.04877	0.4
185.05846	0.3
187.03912	1.5
188.04517	0.3
188.10698	1.2
189.01797	5.0
189.05391	0.9
189.07069	0.2
190.02489	0.8
191.03368	3.2
192.03963	0.3
192.09851	0.2
193.04854	0.6
194.02094	1.4
194.11679	0.5
195.02893	3.8
195.06502	0.3
197.04315	0.6
197.06003	0.4
199.03851	0.7
201.01715	0.6
201.05374	0.7
202.02544	0.6
203.03403	4.1
203.05180	0.4
203.12709	0.2
204.03889	0.4
205.05025	1.6
206.10411	0.2
207.02875	6.4
207.06348	0.3
208.03500	0.6
209.04247	0.4
211.03796	0.3
213.05455	0.3
215.03415	1.1
216.04082	0.3
216.10106	0.8
217.04965	3.0
218.11696	0.9
219.02858	3.0
220.03369	0.3
221.04381	2.1
221.12814	0.8
225.03885	0.8
227.03368	1.1
231.02814	0.9
233.04424	2.3
234.11221	0.3
235.05827	0.3
237.15959	0.6
239.06990	0.4
239.43314	0.2
243.02927	0.3
245.04404	2.1
247.14439	3.8
251.07022	0.6
252.07808	0.4
253.04916	0.7
254.05632	0.2
255.02782	0.5
261.03732	0.4
262.12817	0.2
263.07300	0.4
265.15457	24.4
266.05652	0.4
266.15805	0.5
267.06503	1.8
268.07260	1.4
269.07922	0.6
271.05914	0.3
273.03983	1.5
277.08490	0.6
279.06519	2.6
280.07202	1.7
281.04407	0.6
281.08017	1.7
282.04901	0.2
283.05948	1.4
284.06625	1.0
291.06818	1.7
292.07193	1.2
293.04712	0.4
293.07956	2.8
294.05225	12.6
294.08536	0.8
295.05981	24.2
296.06540	4.0
297.07526	3.6
298.08151	0.8
299.05405	0.4
304.07169	0.3
305.07990	1.1
306.08771	1.2
307.05994	32.3
308.06680	12.4
309.04001	0.4
309.07440	4.9
310.08139	0.6
313.06992	1.6
317.08044	0.8
318.08466	0.5
319.06012	5.1
320.06723	3.6
321.07553	10.8
322.04736	0.4
322.08218	4.5
323.05414	1.0
323.09064	2.4
324.09552	0.3
325.07040	26.2
326.07385	2.8
329.08118	0.7
331.05942	0.5
332.06689	0.4
333.07620	3.7
334.08173	2.8
335.05389	0.6
335.09091	6.6
336.06091	2.6
336.09546	0.4
337.07025	32.8
338.07413	3.4
339.08530	2.6
345.07581	2.5
346.08197	0.3
347.08987	0.6
348.06293	0.6
349.07056	10.2
349.11411	0.5
350.07654	1.6
351.08603	14.3
352.09006	1.5
353.06476	0.7
355.07806	0.2
361.07095	1.2
362.07809	0.6
363.08569	12.1
364.08966	1.5
365.06439	0.8
367.08099	11.2
368.08496	1.0
373.07040	2.0
379.08096	29.4
380.08426	3.4
381.09772	0.3
387.06180	0.2
391.08093	24.7
392.08472	3.4
399.08548	1.0
409.09164	38.2
410.09540	5.0
427.10248	100.0
427.20505	10.0
428.10626	12.8
428.19894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41952	0.6
55.05508	2.1
57.07078	0.7
67.05488	3.5
69.07058	3.9
69.78275	0.8
69.78688	3.2
79.05495	1.5
81.07052	5.4
82.07418	0.8
83.08637	1.4
85.02914	0.7
91.05496	1.9
91.58223	0.5
93.07048	3.5
95.08603	5.6
96.08949	1.3
97.06540	0.6
97.10173	1.1
98.20822	0.8
104.98089	0.5
105.02637	0.6
105.07044	2.3
107.04975	0.6
107.08595	4.8
109.06537	0.6
109.10150	3.9
110.10503	0.6
111.11757	0.5
119.08575	3.5
121.06490	0.6
121.10177	2.5
122.10490	0.6
123.03666	0.7
123.04472	2.7
123.08070	0.7
123.11723	1.9
129.07085	0.6
131.08623	1.1
133.10159	2.5
135.11739	2.2
135.54053	0.5
137.09615	0.8
137.13268	1.6
143.08611	0.8
145.10126	1.4
147.11743	2.2
149.13280	1.3
150.13716	0.7
151.07588	2.4
159.11739	1.1
161.13216	0.9
162.13544	0.7
163.14870	0.7
163.70772	0.5
165.09155	1.7
166.87135	0.7
167.07124	1.1
171.11760	0.8
173.13277	0.7
175.14856	1.3
176.04433	1.7
177.09109	1.1
177.16426	0.8
178.16730	0.8
179.03419	1.2
182.30814	0.5
189.05299	1.4
191.03421	0.7
191.10736	0.8
195.02837	0.8
201.05310	2.5
201.16396	0.8
203.12881	1.2
203.18016	1.2
215.18208	0.7
216.07549	25.6
217.08420	2.5
219.06354	0.8
233.07986	1.7
255.06671	2.0
283.06027	2.2
293.04565	1.1
293.08292	0.7
295.06052	0.8
309.07593	2.8
311.05554	2.4
313.07080	1.5
323.05463	4.8
324.06366	1.7
335.09073	0.7
339.08835	1.3
341.06744	0.7
353.10254	0.8
365.10056	2.9
371.11383	1.5
391.15790	0.8
395.11713	0.8
409.12662	9.8
426.38220	2.6
427.17502	100.0
427.36115	2.2
428.17795	3.0
436.03391	0.7
438.22562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1386
Annotation	Caloxanthone D
Peak:m/z	Relative Intensity
55.01852	0.7
55.05499	0.7
67.05483	0.9
69.03398	0.4
69.07043	0.6
70.96748	0.8
75.15325	0.3
79.05451	0.4
81.07026	1.0
83.04948	0.7
91.05442	1.2
93.03366	0.5
93.07009	0.9
95.04951	0.6
95.08562	1.3
105.03358	0.6
105.07021	0.7
106.04140	0.7
107.04929	0.4
107.08588	0.6
109.06536	0.4
109.10101	1.3
117.03345	0.4
119.08549	0.6
121.10076	0.5
129.06990	0.5
131.04897	0.4
131.08517	0.5
133.02806	0.6
133.10127	0.7
134.03604	1.7
135.11636	0.6
137.02301	0.8
137.05942	0.6
137.13205	0.5
141.06908	0.4
147.04362	0.4
149.05951	0.6
151.03900	1.7
151.04906	0.4
151.07547	1.6
158.07143	0.3
159.04399	0.4
159.07938	0.5
159.11732	0.4
161.05879	0.5
161.13165	0.4
162.03072	0.3
163.03871	0.8
163.14781	0.5
165.05536	0.3
165.09225	0.5
167.07028	3.3
169.06445	0.5
172.05084	0.5
173.02280	0.6
175.03888	0.9
177.08995	0.6
179.03366	0.4
186.06822	0.6
187.03882	0.5
187.07430	0.5
189.05455	0.5
191.03383	1.5
192.03976	0.4
193.04802	0.5
197.05962	0.6
199.07544	0.7
209.04428	0.7
211.07504	1.6
212.08391	0.4
214.06236	0.9
215.07013	0.9
223.03848	0.4
223.07478	0.5
225.05537	0.7
227.06989	0.6
229.04967	0.5
239.06998	2.2
240.07838	0.4
241.04950	0.4
242.05649	1.1
243.06422	0.6
249.09192	0.4
251.07047	0.4
252.28139	0.3
253.04945	0.4
255.06670	0.5
263.07050	0.8
267.06555	4.2
267.09259	0.5
267.10153	0.3
268.07150	1.0
269.07974	0.4
270.25711	0.4
274.09967	0.4
275.10602	0.4
277.08575	1.0
279.06543	0.4
280.07214	0.4
285.08942	0.5
287.07040	0.6
291.10068	1.2
292.10983	0.6
293.08069	1.0
295.06006	1.5
296.06821	4.7
298.04715	1.5
301.08612	1.5
302.09402	0.7
303.10028	1.1
305.08014	1.3
306.08630	0.4
307.06042	0.7
307.09601	0.4
310.04782	0.5
311.05661	0.5
311.09015	0.6
312.06323	0.4
313.07004	3.4
317.08008	0.5
319.09628	2.1
320.10294	0.9
321.07455	0.6
323.05444	3.5
323.09183	0.8
324.06265	64.9
325.06647	3.6
326.08020	0.8
327.08511	0.4
329.08115	0.8
330.08899	0.6
331.09552	1.0
332.10431	0.4
333.07605	1.1
334.08340	1.1
335.09274	0.6
335.12915	0.5
337.06900	0.8
339.08615	100.0
340.08981	4.7
347.09045	2.2
348.09973	3.0
349.10696	1.1
351.08615	1.1
353.06339	0.4
353.10312	0.7
355.07721	0.6
357.09705	24.4
358.08249	2.5
359.09131	0.8
361.07040	0.6
363.08414	0.6
363.12231	4.5
364.09280	1.2
365.10080	0.9
365.14139	0.5
366.10956	1.1
367.11829	1.2
373.10574	1.5
375.08612	1.2
376.09399	16.2
377.09497	0.7
381.13309	8.1
391.11752	20.8
392.11911	1.2
394.10410	2.1
399.14386	7.9
409.12799	45.2
410.13013	2.3
427.13867	98.6
428.14197	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1389
Annotation	Caloxanthone D
Peak:m/z	Relative Intensity
55.05389	0.8
59.04876	1.0
59.05144	0.7
67.05347	2.0
67.05737	0.8
69.03281	1.1
69.06903	1.9
69.07307	0.8
69.67413	3.1
72.08034	0.8
76.55254	0.4
79.05357	0.9
81.03262	0.6
81.06881	4.2
81.07392	1.0
83.04858	0.8
83.08487	0.9
85.02782	0.7
85.03219	0.4
85.06413	0.4
89.42055	0.4
91.05305	1.3
91.05838	0.6
93.06847	3.0
93.07475	0.7
95.04843	0.5
95.08415	5.2
95.09074	1.2
97.02760	0.5
97.06335	0.6
97.10009	0.6
98.20740	0.9
100.94952	0.4
105.06836	2.5
107.04828	0.6
107.08398	3.1
109.06381	0.9
109.09950	2.9
111.07912	0.4
112.45458	0.5
117.06802	0.6
119.08365	1.7
121.06340	0.5
121.09927	2.2
123.02447	0.5
123.07860	1.6
123.08682	0.5
123.11499	2.1
127.03780	0.6
128.06882	0.4
131.04736	0.5
131.08344	1.3
133.09897	1.8
134.03461	0.6
135.07925	0.5
135.11475	1.4
137.05835	0.9
137.09460	0.7
137.13101	0.9
139.07292	0.6
145.09972	1.1
147.04216	1.2
147.07860	0.5
147.11559	1.0
149.05824	0.6
149.13017	1.3
151.03799	0.8
151.07310	8.7
153.01668	0.8
155.08472	0.5
157.09972	0.5
159.11430	1.3
160.90054	0.4
161.09482	0.6
161.13101	1.0
161.14442	0.5
163.07393	0.6
163.11090	0.5
163.14676	0.7
165.09114	3.2
167.07030	6.1
173.02116	1.2
173.13062	0.7
175.07379	0.8
175.14607	0.9
177.05304	0.6
177.08981	0.8
187.07413	0.6
187.14632	0.6
188.88855	0.5
189.08911	0.6
191.03146	0.6
191.10611	3.2
191.17784	0.9
192.10756	0.4
195.02763	0.7
201.05347	0.8
203.10542	0.9
203.12463	0.7
203.17802	0.7
205.11958	1.8
213.05379	0.5
214.06062	0.8
215.06796	1.5
217.12018	0.5
217.19431	0.5
218.07152	0.5
227.06975	0.5
229.04729	1.0
239.06830	0.5
242.05548	1.4
243.06337	2.1
245.04268	1.8
260.06619	0.9
261.07364	0.8
291.06696	0.5
291.09979	1.6
292.10449	0.5
292.94016	0.5
295.05939	0.7
295.09229	0.6
296.06213	0.5
302.09241	0.7
305.07895	1.7
307.05936	0.6
307.09280	0.7
309.07614	0.6
310.04498	0.7
313.06903	1.4
319.06180	0.6
319.09488	2.7
320.10141	1.2
323.05505	0.6
323.09042	1.8
324.06332	5.1
325.06995	2.6
330.08804	0.7
331.09659	0.9
333.07425	3.1
334.08176	1.2
335.09091	0.6
336.06018	1.3
337.06982	0.7
337.10666	0.6
339.08640	7.8
339.15964	0.7
347.09042	2.2
348.06476	0.8
348.09988	3.3
349.06821	0.7
349.10822	0.6
351.08618	9.3
352.09052	1.0
353.06427	0.7
357.09570	1.8
359.08957	0.9
361.06982	3.2
362.07614	1.4
363.08514	1.6
363.12344	1.2
364.09402	0.9
365.10034	0.6
375.08630	3.6
376.09412	31.6
377.09879	2.6
379.07974	5.3
381.09482	1.3
381.13596	1.1
391.11743	51.0
392.12048	2.3
394.10419	8.8
395.11102	1.1
409.12796	100.0
410.13022	5.1
412.11829	0.7
427.13895	66.9
427.31323	2.3
428.14343	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	427.1388
Annotation	Caloxanthone D
Peak:m/z	Relative Intensity
55.01851	0.5
55.05506	1.5
55.05699	0.3
67.05458	1.1
69.03385	0.6
69.41507	2.4
72.08109	1.2
75.88806	0.3
78.04653	0.4
79.05444	1.0
80.39217	0.3
81.07055	1.6
83.04942	0.6
83.08566	0.8
85.02841	0.4
89.03854	0.3
89.10762	0.5
91.05427	0.6
91.58047	0.3
93.03359	0.3
93.06989	1.0
94.06495	0.4
95.04927	0.8
95.08550	1.1
95.19009	0.3
97.02885	0.3
100.11253	1.9
105.03347	0.7
105.07043	0.6
106.04116	0.3
106.57233	0.3
107.04884	0.8
107.07182	0.3
107.08542	0.5
109.02847	0.4
109.06484	0.5
109.10098	0.8
115.05412	0.3
117.03311	0.5
119.08521	0.5
121.10085	0.5
122.05963	1.1
122.90190	0.3
123.11528	0.4
127.03899	0.7
128.07071	0.4
131.08511	0.4
133.02798	0.6
133.06421	0.3
134.03630	2.1
136.01358	0.3
137.02304	0.4
137.05940	0.7
137.13177	0.3
141.11479	0.3
147.04332	1.0
149.05940	0.4
149.13199	0.3
150.03084	0.3
151.03909	1.7
151.06430	0.3
151.07529	3.3
155.08527	0.5
157.06523	0.4
161.05934	0.4
161.09470	0.3
162.54066	0.3
163.03911	0.9
163.11197	0.3
167.07001	0.8
169.06451	0.4
175.03891	0.6
175.14716	0.4
177.05388	0.4
177.09157	0.4
182.15329	1.2
183.07967	0.4
186.06746	0.5
187.03719	0.3
191.03439	1.7
191.10645	0.8
195.08131	0.4
197.06010	1.0
199.03864	0.3
205.12091	0.4
209.04317	0.5
210.14964	1.7
211.07481	1.2
212.08334	0.5
213.05502	0.4
214.06163	1.3
223.07545	0.4
225.05438	0.6
226.19093	0.4
227.06960	0.6
229.04926	0.4
239.06921	2.2
240.07817	0.5
241.04889	0.8
242.05640	1.2
243.06514	1.0
249.09026	0.5
251.06963	0.8
255.06433	0.4
263.06961	0.4
267.06500	4.6
268.07159	0.7
274.09814	0.4
277.08557	1.1
279.06519	0.6
289.08902	0.4
291.10236	1.0
292.10947	0.5
293.07971	0.6
295.05930	1.6
296.06879	4.0
298.04718	1.2
298.07870	0.3
301.08557	1.0
302.09506	0.7
303.10043	1.1
305.07986	0.8
307.05978	0.7
307.09549	0.3
309.07443	0.3
311.05505	0.4
311.09012	0.5
313.06967	3.7
319.09769	1.6
320.10349	0.7
321.07596	0.6
321.11362	0.3
323.05481	2.6
323.09067	0.6
324.06259	57.6
325.06586	2.1
326.07913	0.8
329.08414	0.5
331.09619	0.8
333.07516	1.2
334.08493	0.6
335.09042	0.7
337.07260	0.7
339.08600	89.4
340.08856	3.4
345.09448	0.4
347.09082	1.6
348.09897	3.3
349.10706	1.0
350.11591	0.4
351.08676	0.8
352.09198	0.4
357.09683	24.5
358.08292	2.2
359.08914	0.6
361.06845	0.4
363.08557	0.5
363.12366	3.9
364.09271	1.1
365.10046	0.5
366.10846	0.4
367.11960	0.7
373.10580	1.2
375.08591	0.7
376.09387	15.0
377.09756	0.4
378.10574	0.4
381.13364	6.8
391.11755	18.2
392.12067	0.6
394.10577	1.7
396.12152	0.5
399.14383	7.1
409.12802	35.3
410.13107	1.1
412.43811	0.3
427.13879	100.0
428.14285	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	427.1387
Annotation	Caloxanthone D
Peak:m/z	Relative Intensity
55.01874	1.7
55.05515	6.3
57.03426	2.4
57.07076	2.1
65.03918	2.3
67.01852	1.5
67.05501	9.6
68.99778	3.1
69.03067	1.9
69.03419	26.3
69.07060	13.2
69.79794	5.2
69.80223	1.8
70.06578	1.1
71.04967	1.3
72.08157	3.0
79.05479	9.4
81.03410	3.7
81.07040	20.0
83.04958	5.4
83.08603	3.2
84.08124	1.2
85.02912	2.6
85.06532	2.7
86.79909	0.9
91.05463	9.1
93.03407	1.8
93.07028	14.9
95.01306	1.2
95.04946	4.6
95.08598	21.8
97.02882	3.4
97.06515	3.7
97.10162	2.8
98.20837	1.5
99.04411	2.1
103.05485	1.7
105.07023	8.4
107.04943	1.5
107.08576	12.7
109.02883	3.1
109.06517	3.3
109.10147	13.6
111.04433	3.9
111.08054	2.2
111.11738	1.2
117.06990	2.2
119.04932	1.8
119.08575	8.0
121.02874	1.6
121.06490	2.7
121.10131	9.9
123.04408	2.3
123.08051	4.8
123.11694	7.5
125.05976	1.8
127.03895	3.5
129.06979	1.4
131.08543	3.3
133.10091	5.8
133.75159	1.2
135.08044	2.7
135.11673	5.5
137.02345	6.0
137.05974	3.1
137.09602	2.9
137.13225	3.8
139.03894	1.4
139.07521	4.7
143.08562	2.5
145.10121	4.2
147.04427	8.0
147.08046	1.7
147.11688	4.7
148.04770	1.7
149.05980	5.8
149.09624	2.2
149.13235	4.5
151.03918	2.4
151.07535	31.7
153.05473	1.7
155.03369	1.7
157.10069	1.7
159.08043	1.7
159.11679	3.3
161.06006	3.0
161.09547	1.6
161.13240	2.1
163.07471	1.9
163.11229	1.3
163.14795	3.1
165.05544	2.5
165.07007	1.8
165.09070	6.3
167.07024	62.2
169.10201	1.3
171.11589	1.4
173.06000	1.6
173.09555	1.5
173.13194	2.8
175.07524	2.1
175.11176	2.7
176.08386	1.3
177.05458	2.2
177.09125	4.2
177.16394	2.3
179.03377	100.0
179.10689	1.3
181.06497	1.1
181.08534	1.4
183.07996	1.3
183.11684	1.4
185.94180	1.4
187.07532	2.6
189.05431	2.6
189.09134	3.9
189.12662	1.4
189.16306	1.7
191.06915	1.2
191.10692	11.4
191.17905	1.8
193.12288	1.6
195.02928	9.4
195.08174	2.0
197.04433	53.2
199.07599	1.2
201.09079	2.3
203.10770	2.3
203.12582	1.7
203.17967	1.7
205.08554	1.7
205.12172	5.4
205.19603	1.9
207.10181	2.6
211.07706	2.5
213.09132	4.5
217.08560	1.6
229.08516	1.6
231.06512	1.4
231.13843	1.4
239.06964	2.2
257.08099	2.2
263.06802	1.5
267.06433	2.3
273.18521	1.5
277.08530	1.5
279.06561	1.1
289.08511	1.2
291.06561	1.4
292.07141	1.3
295.06079	4.2
297.07513	1.5
307.05823	1.6
309.07449	2.2
311.05405	2.1
313.07010	8.3
316.06882	1.4
317.11646	1.3
319.05850	2.9
321.07831	1.5
323.05276	2.5
324.06244	27.3
325.06894	4.3
326.07877	2.8
335.05463	1.3
335.09143	2.2
337.07037	24.1
337.11035	1.6
338.07645	1.8
339.08554	27.7
341.10144	16.1
345.11313	2.8
347.09204	1.9
348.09866	1.5
351.08508	1.8
352.09412	7.3
353.06320	1.3
353.10239	4.4
355.08035	1.7
355.11725	1.3
357.09723	6.7
363.08679	1.3
363.12479	2.7
365.10141	10.0
376.09479	3.7
380.08597	1.4
381.13226	4.7
383.11319	1.8
391.11679	14.1
409.12814	49.8
410.13214	2.2
426.38358	1.7
427.13876	88.7
427.32407	8.7
428.14069	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	426.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30003	0.3
53.03944	0.9
54.62732	0.4
55.01876	0.6
55.05506	7.4
56.05027	0.5
56.96575	0.8
57.03442	1.8
58.06594	3.4
59.05006	1.5
59.16571	0.4
61.02930	1.0
67.05517	1.0
69.03426	6.2
69.93092	2.0
70.06606	0.7
71.04986	2.9
72.08154	1.7
73.02901	2.4
75.87079	0.4
81.03416	2.9
83.04977	7.3
83.05448	0.6
84.08136	43.2
85.02900	10.2
85.06548	1.8
86.06056	4.5
86.09721	0.6
87.04472	3.5
97.02880	3.4
98.06031	0.9
98.09721	1.3
98.21450	0.5
98.97613	1.7
99.04486	1.9
100.07660	0.7
100.11249	2.1
101.02451	0.5
101.06010	25.2
109.02873	2.0
111.04466	1.0
111.05591	0.7
112.99128	0.4
114.09157	0.8
114.10344	0.5
115.08759	0.6
116.98627	0.4
119.05000	0.4
124.11266	0.7
125.07151	0.5
127.03899	2.7
128.08183	0.8
128.10704	29.4
129.05490	0.8
129.11095	0.6
138.05504	0.5
144.10245	0.4
145.04996	1.0
146.09317	1.2
146.11748	22.5
147.04463	1.0
149.01265	0.7
158.99698	0.5
160.10880	0.6
173.01300	0.4
177.00812	1.1
188.12868	1.1
191.02258	0.6
191.11613	0.7
201.06166	0.5
204.12064	0.5
214.14410	0.4
218.11845	0.4
218.13977	0.8
219.01826	0.8
230.14000	1.7
235.14487	0.8
237.02919	1.4
246.05310	0.4
248.11392	0.6
248.15154	0.7
254.13998	0.9
263.00882	0.5
264.10016	0.9
264.18057	0.9
272.14969	5.0
290.15988	25.1
291.16418	0.8
295.07169	0.5
298.60635	0.4
306.59357	0.4
307.60086	0.5
367.09360	1.9
426.23499	100.0
427.11353	0.6
427.23721	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	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01872	1.5
55.05505	7.6
56.96566	0.9
57.03167	0.8
57.07068	4.8
59.04993	1.9
67.05494	14.8
69.03411	2.1
69.06715	1.1
69.07063	14.7
69.65748	4.1
69.66158	1.3
70.06587	1.4
71.04987	1.1
71.16663	0.7
72.08146	3.2
79.05485	7.9
81.03389	1.3
81.07048	35.2
83.04974	2.2
83.08610	8.3
84.04496	1.0
85.02899	2.0
85.06529	2.1
87.04410	1.0
91.05466	8.6
93.07032	20.0
95.04961	3.1
95.08598	53.1
96.08946	1.0
97.02888	3.4
97.06515	2.6
97.10168	4.6
98.21513	0.9
99.04410	1.0
99.08091	1.8
100.11282	0.9
105.07015	16.4
107.04935	1.2
107.08585	29.4
109.06515	3.3
109.10145	35.3
111.08084	1.3
111.11697	2.2
117.07017	1.8
119.04971	1.0
119.08569	20.1
120.08110	1.4
121.06507	0.9
121.10132	25.9
122.10463	0.8
123.08044	1.6
123.11702	19.3
125.06003	0.9
125.09616	1.8
127.03923	1.5
127.11209	0.9
131.08557	7.9
133.06430	0.9
133.10112	15.1
135.08047	1.6
135.11679	20.5
137.09608	0.9
137.13234	13.1
139.11125	1.1
143.08548	1.6
145.10104	9.2
147.04395	3.4
147.11690	13.9
149.05983	1.4
149.09621	1.7
149.13245	17.5
151.07530	6.1
151.11183	1.2
151.14804	2.4
153.01900	1.0
153.05447	1.3
155.07091	0.9
157.10126	3.3
159.08063	1.0
159.11667	9.1
161.09590	1.1
161.13255	13.4
163.03943	1.1
163.11198	1.2
163.14818	11.0
165.09084	7.2
165.12717	1.6
167.07025	6.1
169.10103	1.4
171.11673	2.1
173.09659	1.1
173.13254	6.1
175.14821	9.1
177.05513	1.2
177.09087	0.9
177.12885	1.1
177.16354	12.2
178.05898	0.8
179.14275	1.9
179.17958	1.5
183.11661	1.3
185.13203	1.4
187.14835	4.4
189.09087	1.3
189.16373	9.9
191.10640	1.5
191.17938	12.5
193.15857	0.8
199.14848	1.8
201.16333	7.3
203.17912	13.4
205.12187	1.6
205.19482	11.6
207.17348	3.6
213.16383	1.5
215.10420	0.8
215.17859	6.4
217.12186	1.2
217.19511	12.4
219.17505	1.9
219.21001	1.9
221.18980	1.5
227.17961	1.9
229.19455	8.3
231.21071	3.1
233.19040	3.2
235.20569	1.6
241.19574	1.7
243.21179	2.5
245.22650	3.2
247.20493	3.6
255.21031	1.7
257.22733	3.6
259.20673	1.0
269.22641	2.3
271.24161	1.7
273.22058	1.3
275.23630	3.4
285.25674	1.1
287.23608	1.7
297.25946	0.9
315.26395	0.8
325.06769	0.9
327.08600	0.9
353.31955	2.2
361.10654	0.8
379.11627	1.5
407.11121	1.2
407.36749	12.0
425.12161	3.7
425.25085	100.0
425.37723	33.5
426.11847	1.1
426.25424	14.2
426.38135	2.4
441.11087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3767
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.66888	2.2
55.05503	11.9
57.07065	6.6
67.05497	23.3
69.06713	2.6
69.07064	28.5
71.63546	2.8
79.05496	14.3
81.07048	55.4
83.08609	12.7
91.05486	10.0
93.07037	39.0
95.08604	100.0
95.24907	2.0
97.06511	2.7
97.10165	6.0
98.78799	2.0
105.07039	22.2
107.08590	62.5
109.10149	79.4
111.08020	2.6
111.11719	11.9
119.08578	38.4
121.10134	56.2
123.11695	40.9
125.13274	5.4
131.08565	6.7
133.10118	44.9
135.11691	43.4
137.13249	24.6
143.08620	2.6
145.10103	15.4
147.11693	27.9
149.13251	26.1
151.14880	3.3
157.10130	4.8
159.11653	16.1
161.13261	22.4
163.14824	27.0
171.11665	4.4
173.13214	16.4
175.14810	19.8
177.16405	15.7
185.13223	5.2
186.14011	2.6
187.14790	14.3
189.16364	19.5
191.17957	14.2
199.14842	3.5
201.16394	10.0
203.17966	8.0
205.19504	7.1
207.17462	6.8
213.16411	2.9
215.17955	11.0
217.19481	16.2
219.21143	5.3
227.17996	3.7
229.19586	6.9
231.21069	12.8
233.19092	2.9
243.21066	21.2
245.22633	11.7
247.20732	2.3
255.21085	7.4
257.22623	11.6
259.24213	9.5
261.22128	2.9
269.22537	11.7
271.24142	10.7
283.24161	5.6
285.25858	9.7
287.23758	5.0
297.25745	3.4
311.27362	6.1
323.27487	2.4
329.28479	8.8
341.28397	5.4
356.31970	2.1
365.32123	3.1
407.36685	34.1
425.37762	99.9
426.38211	4.0
436.93326	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03936	3.3
55.05513	14.0
57.03440	2.1
57.07063	6.9
65.03917	2.3
67.05496	22.9
69.03410	3.2
69.07063	25.9
70.06582	2.3
71.62575	1.9
72.08146	2.8
79.05492	14.0
81.03413	3.2
81.07050	58.5
83.04990	2.5
83.08622	12.4
85.02904	3.0
85.06519	1.9
90.17844	1.9
91.05468	13.0
93.07039	31.8
95.04957	4.6
95.08600	100.0
97.02903	4.6
97.06536	2.1
97.10163	5.1
99.08105	2.7
103.05472	1.9
105.07025	27.4
107.04959	2.9
107.08578	59.1
108.08922	2.0
109.02869	3.3
109.06498	3.9
109.10149	68.1
111.04424	2.2
111.08048	3.0
111.11729	2.6
117.07002	3.1
119.04888	1.9
119.08577	33.4
121.02837	1.7
121.10138	50.1
123.04471	2.4
123.08053	3.0
123.11701	35.3
125.09616	3.0
127.03938	3.9
131.08595	7.9
133.10129	32.7
135.08064	2.9
135.11668	33.7
137.05966	3.1
137.09630	3.4
137.13234	31.2
139.11176	1.9
143.08542	2.9
145.02835	2.5
145.06482	1.8
145.10114	11.8
147.04369	9.9
147.08058	1.7
147.11673	24.0
149.05997	2.7
149.13242	33.0
150.13643	2.0
151.07515	8.3
151.14856	2.0
157.10109	4.0
159.08115	2.5
159.11702	12.6
160.05223	1.7
161.05965	1.9
161.09592	3.0
161.13261	20.0
163.07553	9.3
163.11168	2.5
163.14824	18.8
165.12729	2.9
167.07098	5.0
171.11717	3.7
173.06032	2.3
173.13235	8.2
175.07466	2.0
175.14806	19.1
177.05493	3.7
177.09064	6.6
177.16379	29.0
178.05865	2.4
179.14349	2.2
179.17955	2.5
185.13287	2.8
187.14743	9.4
189.05585	4.2
189.16379	16.8
191.17937	24.5
197.06094	2.1
201.16345	11.4
203.17973	26.6
205.15990	2.4
205.19492	24.6
207.17464	5.1
213.16400	2.3
215.17987	15.0
217.19470	22.4
219.17430	4.4
219.21115	2.8
221.19035	3.8
227.18027	3.6
229.19473	13.2
231.21147	7.3
233.19025	6.8
235.20625	3.1
241.19536	2.0
243.21100	3.4
245.22762	4.6
247.20573	5.7
247.91594	1.7
249.07584	3.2
255.21075	3.1
257.22665	6.4
263.09073	2.2
263.16302	2.2
269.22693	4.9
271.24249	3.0
273.22015	2.2
275.23676	5.6
287.23715	4.1
299.12921	2.5
301.25278	2.6
313.28931	2.2
353.32120	4.8
365.13785	3.4
397.30676	1.8
407.15128	4.3
407.36783	22.0
425.11444	3.3
425.15924	7.3
425.25937	9.0
425.37744	76.3
426.15973	1.8
426.38153	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.63137	3.1
55.05497	6.6
67.05485	15.0
69.07052	12.5
69.09093	3.4
70.67739	11.2
73.52448	3.2
81.07043	24.9
83.08598	4.5
86.42713	3.7
93.07034	17.0
95.08596	48.7
105.07011	8.7
107.08598	27.7
109.09538	4.2
109.10165	40.7
110.02217	3.6
111.11716	4.4
117.85790	3.7
119.08606	19.0
120.08076	3.2
121.10132	24.6
123.11703	15.0
133.10107	10.8
135.11659	18.0
137.13228	10.9
145.10080	6.2
147.11665	8.3
149.13226	9.5
159.11673	5.8
161.13188	9.6
163.14783	12.2
173.13235	6.9
175.14818	5.9
177.16365	9.2
179.14302	6.2
187.14845	4.0
189.16335	10.0
191.17957	15.4
201.16391	4.3
203.17999	9.6
205.19530	8.4
207.17535	4.3
215.18007	6.6
217.19505	6.3
224.62279	3.2
245.22546	12.1
247.20496	9.1
269.22736	4.1
271.24173	5.4
407.36658	15.6
425.37839	100.0
426.38272	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	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45173	17.1
55.05489	22.8
57.83242	17.8
66.44415	20.0
67.05490	24.0
69.05256	19.0
69.07054	30.6
71.38089	48.1
81.07063	86.2
87.17562	17.6
93.07017	48.0
95.08600	100.0
95.44354	16.9
105.07074	22.6
107.08575	52.9
109.10136	61.2
119.08592	24.9
121.10141	60.6
123.11667	32.2
130.95334	16.9
133.10158	23.9
137.13223	19.8
145.10085	24.7
149.13226	33.1
177.16418	20.0
189.16472	25.8
203.17964	17.6
209.62582	23.6
280.15796	22.4
298.43948	18.4
337.44226	18.2
349.17877	17.7
359.82907	20.5
391.40399	19.7
395.45822	18.5
409.89511	22.0
425.13522	32.6
425.37668	37.4
426.14572	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.45589	0.9
55.05515	5.1
57.07068	3.0
61.78312	1.0
67.05493	7.7
69.07069	8.9
71.08621	1.1
71.55369	1.6
71.55866	0.9
79.05473	3.6
81.07051	17.9
81.59225	1.0
83.08601	3.0
91.05463	3.5
93.07047	10.5
95.08598	37.9
97.10143	3.4
105.07043	6.5
107.08588	20.6
109.10151	29.6
111.08061	1.3
111.11681	4.9
119.08573	11.6
121.10134	14.3
123.08019	1.6
123.11697	9.4
131.08556	2.6
133.10127	10.4
135.11674	13.8
137.13223	9.2
142.94960	1.0
145.10109	3.7
147.11626	7.8
149.13234	8.6
151.14775	1.1
157.10132	1.6
159.11691	4.6
161.13237	8.3
163.14806	9.7
173.13234	3.0
175.14815	7.6
177.16405	6.8
179.14249	2.2
179.17903	1.3
187.14815	2.8
189.16353	11.6
191.17941	13.8
201.16403	3.7
203.17877	6.5
205.19463	10.5
207.17491	4.5
215.17863	6.6
217.19562	7.1
219.21115	3.0
226.02769	1.0
227.17943	1.3
229.19437	5.1
231.21069	4.5
233.18988	3.0
241.19310	1.5
243.21077	4.4
245.22620	9.7
247.20537	8.1
255.20982	2.3
257.22562	2.4
259.24231	3.4
261.22211	2.5
269.22629	2.4
271.24203	3.9
273.25876	1.3
283.24155	2.2
285.25665	2.5
287.23831	2.5
311.27307	1.4
325.87524	1.4
338.59766	1.3
407.36713	18.7
425.37753	100.0
426.38052	4.5
432.95758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03933	3.3
55.01870	1.4
55.05509	13.3
57.00883	1.2
57.03433	2.1
57.07071	8.3
57.29515	1.3
65.90321	1.5
67.05167	1.7
67.05499	26.6
69.03425	2.0
69.07061	21.9
69.40519	8.6
69.40941	4.8
70.06574	2.5
71.08615	1.6
72.08114	2.6
72.53673	1.2
79.05477	13.2
81.03398	1.9
81.07048	63.0
83.04971	1.9
83.08615	12.3
85.02907	2.5
85.06519	2.4
91.05455	13.4
93.07039	33.2
95.04976	3.6
95.08598	100.0
97.02878	2.1
97.06505	3.6
97.10153	7.2
99.08083	1.9
103.05429	1.3
105.07015	23.3
107.08582	55.0
109.02816	1.5
109.06530	2.0
109.10149	63.2
111.08040	2.9
111.11688	4.4
117.07009	3.2
119.04886	1.7
119.08572	36.9
121.02857	3.8
121.06528	1.6
121.10133	49.8
123.04369	1.5
123.08051	2.6
123.11691	39.6
125.09666	1.5
127.03884	6.0
131.08551	10.2
133.10117	35.0
135.08014	2.3
135.10660	2.6
135.11681	34.8
137.09602	2.0
137.12242	1.2
137.13245	31.9
139.11163	3.5
143.08551	3.2
145.10101	12.0
147.04381	2.4
147.11671	19.9
149.13240	38.6
151.07471	1.8
151.14774	3.5
157.10017	2.8
159.11670	13.4
161.13254	24.8
162.13580	1.6
163.11232	2.0
163.14810	20.2
165.12735	1.3
167.07001	1.6
167.41618	1.3
171.11707	2.5
173.13292	12.4
175.14815	22.1
177.12747	2.0
177.16357	28.5
177.17795	2.2
179.14360	1.7
179.17900	3.7
185.13286	3.7
187.14818	10.7
189.16339	19.0
191.14143	1.6
191.17931	23.9
199.02399	1.8
201.16348	13.0
203.17946	28.8
204.18289	1.9
205.15857	3.4
205.19496	25.0
207.17404	6.7
215.17969	12.6
217.19510	23.9
219.17494	6.5
219.21088	5.4
221.19022	5.5
227.17943	4.1
229.19507	15.4
231.21042	5.7
233.19072	6.9
235.20593	2.7
241.19464	3.4
243.21159	4.6
243.28899	1.4
245.22635	6.7
247.20483	7.3
255.21028	4.8
257.22617	10.4
259.20496	1.9
259.24149	1.5
261.22266	2.8
269.22641	3.7
271.24176	4.1
273.22095	2.3
275.23615	4.2
283.24094	2.7
287.23642	4.0
297.25647	2.5
299.05383	6.3
300.06198	3.0
301.25272	2.6
313.28903	3.8
315.26981	1.7
327.04819	1.7
335.09595	1.6
353.32053	3.9
354.04208	1.3
407.36627	28.5
425.12308	21.0
425.37753	75.0
426.12704	3.0
426.38019	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05505	20.2
57.07072	8.4
62.72606	1.8
65.03947	1.8
67.05504	20.4
69.07056	24.5
69.70560	14.8
71.08611	2.4
75.48032	1.7
76.37643	1.8
79.05486	13.7
81.07053	60.4
83.04966	1.8
83.08595	11.7
91.05466	15.2
93.07042	44.7
95.08603	100.0
97.10164	12.4
98.21472	3.6
104.29036	1.9
105.07021	34.7
105.07669	2.8
107.08588	60.7
109.10154	65.1
111.08087	5.3
111.11770	1.9
113.00021	2.7
113.49438	1.7
117.07047	3.1
119.08570	51.6
121.10139	53.9
123.11700	40.1
125.09634	3.1
130.33287	1.7
131.08574	7.2
133.10124	45.7
135.11691	56.2
137.13252	22.8
142.50029	1.8
143.08580	1.9
144.12199	2.0
145.10120	12.9
147.11682	50.4
149.13252	55.7
151.11203	6.3
151.14888	3.9
157.10123	4.3
159.11690	19.3
161.13252	29.3
163.14832	22.7
171.11774	2.1
173.13261	10.1
175.14828	17.4
177.16405	22.9
179.14290	2.8
179.17924	3.2
185.13284	2.2
187.14842	13.1
189.16353	44.0
191.17972	22.8
193.19591	2.2
199.14920	3.0
201.16400	15.4
203.17938	43.6
203.19704	3.5
205.15965	1.8
205.19577	18.3
207.17436	55.7
207.19392	3.0
208.17799	2.2
213.16420	3.8
215.17972	15.9
217.19505	19.4
219.17574	2.7
219.21172	6.4
221.19038	6.4
227.17923	4.4
229.19405	12.1
231.21094	8.5
233.19054	3.2
241.19554	3.4
243.21077	4.1
245.22701	12.6
247.20685	6.1
255.21184	7.4
257.22739	7.5
259.20642	2.6
269.22623	4.9
271.24139	14.5
273.22162	3.6
275.23740	3.0
283.24170	3.5
285.25848	5.8
365.32169	5.3
407.36743	40.7
425.37903	99.2
426.38324	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	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05301	1.5
55.05511	13.4
57.07053	4.1
61.35668	1.2
65.03957	3.0
67.05164	2.4
67.05500	33.1
69.07063	21.4
79.05478	8.5
81.06574	2.4
81.07052	47.7
83.08602	9.8
85.83884	1.4
91.05458	14.1
93.07036	26.9
95.08598	75.3
97.06500	2.4
97.10146	7.6
99.08088	1.9
105.07019	24.8
107.08585	49.5
109.06487	2.2
109.10146	100.0
110.10474	1.7
111.08063	6.7
111.11692	4.8
119.08569	37.4
119.12048	1.5
120.08878	1.7
120.40099	1.5
121.09303	3.0
121.10135	42.6
123.08042	3.3
123.11713	23.5
125.09607	4.7
128.85695	1.3
131.08543	5.5
131.63371	1.6
133.10121	42.0
135.10663	2.6
135.11681	39.4
137.09622	3.3
137.13243	19.2
145.10135	11.6
147.11668	32.9
149.13234	19.1
151.11142	4.4
151.14813	2.7
157.10126	3.0
159.11665	9.3
161.13249	23.6
163.14815	15.3
165.12724	1.6
171.11601	2.5
173.13248	7.6
175.14771	12.3
175.40564	1.6
177.16347	8.5
179.14304	2.5
185.13313	2.2
187.14737	8.8
189.16360	18.4
191.17932	21.5
201.16345	8.1
203.14363	1.7
203.17937	34.4
205.19476	13.0
207.17407	10.7
215.17934	12.2
217.19495	34.0
219.21036	1.8
221.18904	2.7
227.18007	1.9
229.19449	6.8
231.21103	3.6
233.18964	3.6
241.19724	1.9
243.21095	2.7
245.22636	3.3
247.20706	1.5
255.20999	4.0
257.22784	3.4
259.24207	2.5
271.24191	6.9
283.24146	3.0
285.25644	2.1
301.25064	1.6
359.79660	1.5
389.32349	2.5
407.32086	3.5
407.37259	16.3
425.38171	50.7
426.38074	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.05393	5.6
54.07636	5.2
55.05499	18.0
57.07070	7.6
58.72248	4.9
65.76669	5.4
67.05503	31.4
69.07075	53.4
69.39799	5.2
69.76575	34.8
77.20232	5.9
77.23248	5.4
78.09689	5.5
79.05486	20.7
81.06635	7.2
81.07057	83.6
83.08603	15.4
91.05466	14.7
93.07027	40.0
95.08604	100.0
95.76437	5.5
97.10144	7.6
105.07024	22.3
107.08585	53.0
109.10162	67.4
111.11708	11.9
119.08592	31.7
121.10153	44.4
123.11714	33.8
131.08539	10.3
133.10109	26.1
135.11681	39.1
137.13239	27.0
145.10121	14.7
147.11662	21.7
149.13264	32.7
159.11685	17.3
161.13213	18.6
163.14816	15.9
171.11697	7.7
173.13258	7.6
175.14812	23.0
177.16353	15.9
187.14738	10.0
189.16351	8.0
191.17952	13.5
201.16431	9.3
203.17914	14.9
207.17357	10.4
215.17982	12.3
217.19528	11.5
229.19669	9.1
233.18820	7.9
255.21005	7.5
305.63226	6.8
313.24454	5.5
398.32968	5.4
407.36658	21.4
425.32864	9.4
425.38342	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03951	4.1
55.05500	11.7
57.07062	5.6
59.44960	1.8
65.03914	2.3
67.05496	18.5
69.06722	2.1
69.07064	23.7
69.81767	1.8
71.14423	3.9
78.57159	1.8
79.05490	18.9
80.24548	1.7
81.07051	61.6
83.08605	8.7
83.49220	2.0
91.05470	14.0
93.07031	40.8
95.04944	1.9
95.08597	100.0
97.06540	2.1
97.10164	8.5
105.07019	28.8
107.08585	62.8
109.10146	64.4
111.11706	5.0
117.07056	1.8
119.08566	42.0
121.10127	52.1
123.08073	3.2
123.11686	26.5
125.09591	4.0
125.13303	2.0
131.08514	5.1
133.10118	29.6
135.11678	39.9
137.13226	14.6
139.11201	3.5
145.10138	10.3
147.11681	27.3
149.13257	45.8
151.14822	3.5
159.11678	9.3
161.13246	27.9
163.14830	27.0
171.11694	3.3
173.13261	8.2
175.14822	18.5
177.16360	19.9
179.14291	8.4
187.14786	13.5
189.16347	21.0
191.17921	69.1
199.14754	3.1
201.16345	6.1
203.17947	26.9
205.19496	18.8
215.17987	13.0
217.19473	42.4
221.18973	4.5
229.19485	4.7
231.21072	7.3
233.19005	7.1
235.20520	13.4
243.20982	2.6
245.22560	9.3
247.20630	5.3
257.22589	4.2
269.22791	2.4
297.25739	3.4
374.38354	2.2
407.36685	24.0
425.37833	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03930	2.6
55.05507	14.2
57.03419	1.3
57.07070	7.5
67.05167	2.4
67.05500	33.0
69.03412	2.6
69.06714	2.4
69.07062	28.0
71.08601	1.9
75.60731	1.4
79.05495	18.3
79.30567	1.3
80.23492	1.7
81.07051	67.9
82.07370	1.5
83.08628	13.2
85.06514	1.4
91.05473	13.2
93.07039	46.0
95.04933	4.1
95.08598	100.0
96.08923	3.0
97.06507	6.3
97.10144	7.6
98.20686	3.4
99.04417	2.4
99.08062	2.6
99.87318	1.4
105.06300	2.3
105.07021	34.8
107.08585	70.7
108.08841	2.3
109.06496	3.0
109.10149	76.9
111.08042	2.7
111.11707	3.5
117.07022	2.9
119.08578	39.6
120.08899	1.7
121.10133	52.5
123.08080	8.2
123.11700	30.2
124.08444	2.0
124.12054	2.3
125.09636	6.8
129.07007	1.7
131.08569	8.6
133.10129	33.9
134.10515	1.7
135.08032	3.1
135.11685	48.3
137.13252	21.4
143.08601	2.4
144.09314	1.6
145.10117	16.3
145.64633	1.5
147.11674	31.0
147.18346	1.6
149.13255	34.6
150.13618	2.2
151.14819	3.0
157.10107	4.0
159.11664	17.1
159.12863	1.8
161.13249	27.6
163.14796	22.3
165.12733	3.0
165.16422	1.8
167.06856	1.3
169.10062	1.9
171.08141	2.2
171.11650	2.9
173.13242	12.6
175.14809	14.5
177.16364	14.0
178.16640	1.5
179.14290	11.6
180.14597	4.2
183.52039	1.6
185.13283	2.0
187.14801	7.7
189.16336	23.3
191.14323	1.8
191.17931	41.0
193.19409	1.5
199.14781	3.1
201.16376	12.4
203.14166	2.2
203.17934	27.2
205.15808	2.9
205.19450	12.8
207.17433	10.6
213.16452	2.7
215.17969	12.6
217.19507	31.6
219.17430	4.2
219.21034	5.4
221.18980	2.5
227.17863	1.7
229.19496	4.8
229.25687	1.9
231.21022	4.9
233.18938	3.2
241.19537	2.0
243.21049	3.2
245.22693	4.1
255.21053	2.9
257.22629	4.8
259.24133	2.7
271.24152	3.2
285.25510	2.1
297.25790	2.1
299.27411	2.7
333.26834	2.9
369.31522	1.8
389.13898	2.1
389.33182	2.3
407.37225	15.9
408.36972	1.5
425.18094	3.2
425.31396	16.6
425.37686	60.3
426.38214	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	21.9
57.07065	10.3
58.06588	1.5
61.45515	1.3
61.76064	1.4
65.96114	1.6
67.05164	2.3
67.05499	27.4
69.07066	28.1
71.08621	3.0
71.54070	3.1
79.05482	13.4
81.07050	65.0
83.08608	17.3
91.05479	11.9
93.07039	33.5
95.04927	1.8
95.08598	100.0
96.08945	1.9
97.06528	2.5
97.10158	13.7
105.07018	33.0
107.08585	57.5
108.08924	2.1
109.10146	73.4
111.08075	4.1
111.11726	4.8
113.00033	3.6
117.07035	2.7
118.51147	1.4
119.08566	48.3
121.06515	1.8
121.10127	53.4
123.08079	2.7
123.11703	38.2
125.09623	1.6
125.13240	2.2
131.08542	8.4
133.10117	49.8
135.08058	3.2
135.11679	45.7
137.09592	3.5
137.13223	24.1
139.11238	2.4
143.08580	3.0
145.10100	17.1
147.11685	36.8
149.09579	1.9
149.13258	27.5
151.11165	5.2
151.14803	3.6
153.12672	2.1
157.10103	4.4
158.10965	1.4
159.11671	17.9
160.12346	1.6
161.13232	27.4
163.14824	13.5
169.02597	2.9
171.11705	5.6
172.12537	1.7
173.13237	13.5
174.13745	1.8
175.14816	23.3
177.12730	1.6
177.16367	19.7
179.14217	3.4
179.17946	2.1
185.13263	5.0
187.14812	14.0
189.16371	29.0
190.16751	2.3
191.17934	14.7
193.15947	1.9
199.14771	3.8
201.16429	10.9
203.17928	32.1
205.15932	3.5
205.19484	13.7
207.17436	25.8
213.16389	3.7
215.17865	10.7
217.19458	19.4
219.21146	4.2
221.19063	3.1
227.17943	4.3
229.19539	10.3
231.21085	5.0
233.19020	3.5
241.19473	3.2
243.21005	8.0
245.18924	2.0
245.22644	4.8
247.20576	7.5
255.20967	4.4
257.22672	6.2
261.22119	3.3
269.22656	6.5
271.24265	7.9
273.22049	3.6
275.23715	6.1
278.26117	1.7
283.24161	2.0
285.25885	3.3
287.23767	5.7
297.25714	3.4
301.25186	2.4
311.27332	3.0
313.28613	2.4
315.23044	1.6
315.26749	3.4
323.27380	4.5
329.28506	10.2
337.28763	2.2
341.28354	5.1
355.29971	2.1
365.32129	3.7
380.15442	2.0
407.36880	19.8
408.37277	2.1
425.21869	3.4
425.29117	2.9
425.38229	70.6
426.38541	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03928	1.7
55.05509	15.4
57.07064	11.7
61.55678	1.3
65.03954	1.6
67.05502	37.4
69.03418	1.7
69.06713	2.3
69.07064	27.2
69.09264	1.2
70.11111	5.4
70.11521	2.6
71.04972	3.2
71.08629	3.5
77.03893	1.3
79.05489	19.7
81.07050	70.1
82.07394	1.4
83.08617	13.4
85.06512	1.3
91.05459	15.5
93.07036	47.6
95.04943	3.9
95.08598	100.0
97.06523	6.0
97.10155	12.6
98.20802	1.5
99.08101	2.4
105.07022	36.7
107.08582	69.4
109.06521	3.1
109.10146	99.2
111.08079	3.5
111.11707	4.1
117.07047	2.2
119.08572	42.9
121.10133	58.8
122.10474	1.5
123.04453	2.2
123.08102	7.8
123.11694	35.8
125.09615	5.9
127.11159	3.0
131.08524	8.1
133.10126	38.0
135.11679	46.1
135.12698	2.6
137.13252	20.9
139.07533	1.5
143.08556	2.2
145.10101	17.7
147.11674	37.9
147.12785	2.8
149.13248	31.6
151.07576	1.5
151.11211	2.6
151.14821	4.2
157.10143	3.4
159.11699	19.0
161.13234	29.9
163.14824	22.1
165.12749	3.2
169.10156	2.3
171.11673	3.6
173.13245	12.5
175.11153	2.1
175.14813	18.2
177.16362	8.7
179.14366	6.7
183.11745	2.2
185.13274	3.7
187.14766	11.4
189.16359	26.1
191.14319	2.5
191.17926	45.0
193.15894	1.3
195.86569	1.5
199.14850	3.2
201.16380	14.3
203.14256	3.1
203.17926	28.8
205.15976	1.9
205.19510	11.7
207.17349	8.2
213.16388	2.6
215.17911	10.5
217.16078	2.2
217.19504	34.1
219.17459	3.3
219.21039	3.8
221.19023	2.5
227.17947	2.1
229.19455	4.0
231.21097	2.2
233.18968	3.7
235.20593	4.1
241.19583	2.7
243.21066	4.0
245.22652	5.4
247.09814	1.8
255.21123	2.6
257.22668	3.2
269.22513	1.7
271.24213	3.4
273.22229	1.6
283.20932	1.6
283.24133	2.9
297.25769	2.2
341.31857	1.6
351.12277	2.8
351.30536	1.7
369.13394	2.0
407.37161	17.5
408.37274	2.7
425.38260	57.4
426.38434	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05509	17.0
57.07069	5.6
59.05004	1.5
64.11327	1.2
65.03935	1.9
66.30685	1.3
67.05503	24.9
69.07063	25.3
69.35081	1.3
69.98614	7.2
70.46613	1.2
70.66504	1.3
79.05482	12.9
81.06571	2.7
81.07052	49.1
83.08614	15.1
91.05477	13.6
93.07040	40.0
95.05011	1.7
95.08601	100.0
97.10168	8.8
105.07030	33.2
107.08591	65.0
108.08959	1.6
109.06538	2.5
109.10150	80.3
111.08083	5.8
111.11731	6.9
113.09624	1.8
117.07005	2.6
119.08573	46.6
121.10142	55.8
123.08096	2.8
123.11705	34.1
125.09616	1.6
129.07054	1.6
131.07718	1.5
131.08516	9.0
133.10126	44.3
135.11676	42.7
137.13257	10.5
143.08548	2.0
145.10110	14.6
145.81874	1.4
147.11676	36.8
147.12775	2.6
149.13246	29.1
151.11263	1.9
151.14835	2.4
157.10197	1.8
158.10887	1.7
159.11682	18.3
161.13239	33.6
163.14818	29.5
165.12756	2.0
171.11720	2.4
173.13242	15.5
175.14815	26.7
175.16248	2.1
177.16379	26.2
179.14378	8.5
179.17928	3.6
185.13252	2.2
187.14807	13.4
189.16388	34.8
191.17946	21.1
193.15958	2.1
199.14891	1.8
201.16339	16.0
203.17937	29.2
203.19702	2.1
205.15855	1.6
205.19516	15.8
207.17419	28.2
213.16379	3.2
215.17949	16.2
217.19492	26.7
219.17397	2.3
219.21169	3.6
227.17984	3.7
229.19505	10.3
231.21045	7.0
233.19048	3.6
241.19514	3.9
243.21039	10.4
245.22638	10.4
255.21065	4.0
257.22595	8.9
260.27802	1.5
261.22141	2.3
269.22763	4.6
271.24188	8.6
283.24231	2.1
285.25790	3.1
287.23819	3.0
297.25793	7.5
311.27097	1.7
315.26920	5.7
329.95663	1.4
365.32138	4.5
407.31583	3.0
407.36716	43.6
408.37146	2.0
425.37833	76.2
426.38101	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.55537	1.7
55.05508	12.5
57.07066	8.0
62.25685	1.8
62.88305	1.5
63.93582	1.7
67.05495	23.7
69.06725	1.8
69.07066	22.1
69.69025	6.8
69.69444	5.4
79.05488	12.3
81.07052	58.3
83.08609	14.1
85.02866	1.9
85.98071	1.6
86.60323	1.8
91.05460	7.9
93.07040	32.8
95.08600	100.0
97.10151	7.9
102.02849	1.5
105.07024	21.5
107.08585	47.2
109.06558	1.8
109.10143	62.7
111.11695	3.5
117.07015	3.2
119.08573	31.7
121.10132	44.0
123.11691	36.8
126.35437	1.5
131.08563	9.0
133.10112	28.9
135.11676	34.9
137.13240	29.9
139.11197	2.8
143.08557	1.8
145.10086	12.2
147.11659	16.7
149.13237	33.5
151.14772	2.1
159.11658	11.8
161.13222	23.2
163.14807	15.6
171.11641	2.8
173.13177	10.6
175.14848	17.3
177.16368	23.4
179.18016	3.6
187.14766	11.9
189.16359	13.5
191.17915	25.2
193.19727	2.2
201.16397	9.4
202.31857	1.7
203.17955	25.1
205.15891	2.1
205.19521	22.7
207.17531	5.2
213.16443	3.2
215.17937	12.1
217.19475	22.1
219.17453	6.0
219.21098	4.1
221.18889	2.5
227.17964	2.9
229.19464	15.2
231.21097	6.9
233.18974	8.1
235.20567	3.2
241.19534	3.8
243.20992	4.5
245.18875	2.8
245.22711	3.0
247.20590	6.1
255.21213	4.7
257.22699	7.2
269.22617	7.6
271.24268	2.8
273.22079	3.1
275.23782	7.1
283.24237	3.9
287.23566	4.5
297.25766	2.4
301.25296	4.1
342.01254	1.7
353.32053	3.2
407.36700	22.7
425.37741	72.0
426.38257	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.36317	1.2
53.03937	2.2
55.05505	13.0
57.07065	6.2
58.88520	1.1
65.03915	2.2
67.05174	1.2
67.05504	22.9
69.07059	24.4
71.08612	1.6
72.97685	1.2
79.05487	9.8
81.07049	63.3
82.46621	1.1
83.08610	14.5
90.61504	1.1
90.96780	1.1
91.05479	10.9
91.95605	1.2
93.07031	24.6
94.51843	1.0
95.04930	1.6
95.08597	100.0
97.10159	6.3
99.08070	1.6
105.07024	21.9
107.08582	53.0
108.08862	1.3
109.06493	1.8
109.10141	62.1
110.10446	1.3
111.08073	1.6
111.11709	2.9
117.07038	2.8
119.08562	31.3
121.10123	46.8
123.08102	2.7
123.11694	35.5
125.09625	1.4
131.08531	7.9
133.10115	31.0
135.11668	34.3
137.13239	33.7
139.11186	2.4
143.08553	1.8
145.10086	11.0
147.11658	22.0
148.11981	1.4
149.13240	31.4
151.14851	3.7
157.10123	2.8
159.11674	14.1
161.13234	26.4
163.14810	17.7
165.12717	2.8
165.66017	1.1
171.11667	3.4
173.13234	11.5
175.14798	15.7
177.16379	30.6
177.17969	1.6
179.14276	1.4
179.17950	2.6
185.13266	3.1
187.14767	9.6
189.16341	17.6
191.17940	24.7
193.15887	1.6
193.19589	1.8
199.14790	1.3
201.16380	14.9
203.16032	1.2
203.17953	25.0
205.15846	2.0
205.19489	22.3
207.17459	5.0
213.16354	2.4
215.17899	13.9
217.19455	21.6
219.17366	3.4
219.21092	3.2
221.18990	4.3
227.17946	3.9
229.19513	17.6
231.21031	6.0
233.18980	7.7
235.20436	2.2
241.19623	2.1
243.21104	5.2
245.19063	2.4
245.22615	5.8
247.20633	7.4
255.21124	3.2
257.22617	7.4
261.22015	1.2
269.22675	4.8
271.24304	3.9
273.21988	2.7
275.23779	6.7
283.24182	2.4
287.23672	6.0
297.25745	2.7
300.93262	1.2
301.25323	2.4
307.05948	2.0
309.26047	1.2
313.28976	4.2
327.91406	1.3
353.32117	4.7
363.12253	2.3
365.32208	1.7
407.36710	24.5
425.37781	77.8
426.38361	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.01845	1.6
55.05507	16.7
57.03442	2.5
57.07071	5.2
64.55745	1.7
67.05496	31.4
68.68481	1.7
69.03440	2.3
69.07063	27.5
69.07410	2.7
69.24695	1.6
70.75632	3.6
70.76003	3.6
73.23753	1.8
79.05486	17.5
81.07050	68.6
83.08607	11.6
83.09030	1.4
85.06560	1.9
91.05463	15.1
93.07031	44.3
95.04951	3.3
95.08599	100.0
97.06551	6.4
97.10150	8.8
103.88763	1.9
105.07018	35.9
105.07658	2.6
107.08582	67.3
109.06532	4.1
109.10148	70.7
109.10900	4.1
111.08103	2.4
111.11736	4.0
117.07021	3.3
119.08574	44.2
121.10133	52.3
123.08105	4.6
123.11707	27.0
125.09621	4.8
131.08594	7.2
133.10123	31.2
133.11037	2.3
135.08109	2.3
135.11678	46.2
135.12668	2.8
136.12048	2.8
137.13225	17.4
143.08582	2.0
145.10106	13.5
147.11681	33.0
147.12750	2.0
149.09712	2.2
149.13248	28.3
151.07539	2.8
151.14868	3.4
155.08527	2.1
157.10161	4.3
159.11690	14.3
161.13234	28.5
163.14806	25.3
163.16060	2.0
165.09166	3.9
166.54109	1.6
171.11787	3.4
173.13243	8.3
174.14015	2.2
175.14825	15.3
177.16371	11.9
179.14259	8.2
185.13348	4.2
187.14819	9.3
189.16357	21.2
191.17941	43.1
191.19556	2.9
192.18349	2.3
199.14825	4.0
201.16371	13.2
203.17950	22.9
203.19690	2.6
204.40034	1.7
205.15894	3.0
205.19527	10.7
207.17554	8.4
213.16443	2.5
215.14644	2.0
215.17938	10.5
217.15996	2.3
217.19518	32.8
219.17548	3.6
219.21173	3.7
221.19020	2.5
227.18007	2.4
229.19507	4.6
231.21275	3.6
233.19135	4.7
235.20676	4.0
243.21220	5.0
245.22667	3.1
255.20970	3.0
257.22787	5.0
259.24316	2.2
271.24393	3.0
273.22238	2.0
321.25983	1.9
333.26993	3.2
355.30243	1.9
407.32709	2.2
407.36951	18.9
425.32346	9.6
425.38000	58.1
441.84741	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	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03937	1.9
55.05508	13.1
57.02318	1.0
57.03414	1.1
57.07064	7.2
65.03948	1.3
67.05501	23.5
69.07062	26.5
71.04968	1.0
71.08629	2.1
76.00177	1.0
77.46056	0.9
79.05479	13.9
81.07050	61.9
83.08617	12.7
84.25167	1.0
85.06544	1.2
91.05470	9.9
93.07039	26.9
94.07356	1.1
95.04957	1.5
95.08599	100.0
96.08946	1.2
96.35731	1.4
97.06531	1.6
97.10159	8.4
97.34705	1.0
98.21481	4.0
103.05371	1.1
104.81256	1.1
105.07022	26.3
107.08582	56.2
107.60897	1.1
109.06525	2.0
109.10146	65.7
111.08121	3.0
111.11717	3.3
117.07008	2.2
119.08572	35.7
121.10133	47.0
122.10510	1.2
123.08093	1.8
123.11695	37.0
125.09607	2.2
129.07069	1.0
130.07784	1.0
131.08551	8.1
133.10114	28.3
135.11682	37.8
137.13232	29.3
139.11203	2.4
143.08591	1.3
145.10117	10.9
147.04382	1.2
147.11674	22.3
147.12775	1.7
149.13248	35.8
150.13539	1.4
151.14833	2.2
153.05687	1.1
153.12747	1.3
154.64037	1.0
157.10176	2.4
159.11693	14.5
161.13237	22.4
163.14832	17.4
165.12697	2.5
165.16377	1.5
171.11650	1.9
173.13205	10.8
175.14806	18.5
177.16364	25.4
177.17805	1.8
179.14377	1.7
179.17909	3.0
185.13222	3.2
187.14790	8.7
189.09108	1.2
189.16368	17.1
191.14328	2.2
191.17940	23.0
193.15871	2.0
193.19528	2.3
199.14812	1.7
200.65987	1.1
201.16374	13.2
203.17940	25.7
204.18228	1.1
205.15878	3.1
205.19502	24.4
206.19749	1.2
207.17375	5.3
213.16403	2.0
215.17938	16.0
215.19856	1.2
217.19507	23.0
219.17456	4.4
219.21089	3.6
221.18982	5.0
227.18021	2.8
229.19484	16.8
231.20976	6.3
233.18996	6.2
235.20657	2.8
241.19675	3.1
243.21144	4.5
245.22653	5.3
247.20596	8.0
255.21088	3.3
257.22565	8.0
259.20563	1.4
261.22192	1.9
269.22678	4.0
271.24271	3.0
273.22211	2.1
275.23709	5.8
283.24210	3.3
287.23810	3.7
297.25613	1.3
301.25287	2.1
313.28915	3.4
353.31970	4.7
391.44092	1.1
407.14792	1.3
407.36716	24.5
425.37784	68.0
426.38086	4.4
428.60098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.90139	2.1
55.05510	17.0
55.32079	2.3
57.07065	7.3
65.03909	2.8
67.05505	29.3
69.07063	31.1
70.04082	3.5
70.76100	5.5
79.05473	15.4
81.07053	53.9
83.08609	12.9
85.06548	2.9
91.05473	16.2
93.07040	36.4
95.04935	3.5
95.08598	100.0
97.06514	5.1
97.10155	5.8
105.07023	27.9
107.08588	59.2
109.10147	77.9
111.08085	3.4
111.11715	5.8
117.07012	5.6
119.08573	45.3
121.10130	55.0
123.04483	4.5
123.08076	5.5
123.11684	31.3
131.08556	12.6
133.10136	40.4
135.11676	41.2
137.13222	22.9
143.08524	3.0
143.72237	2.3
145.10118	16.2
147.11676	29.3
149.09630	3.7
149.13269	28.0
151.07538	6.3
151.14824	3.6
157.10129	7.6
159.11688	17.7
161.13263	36.2
162.13696	3.3
163.11174	2.7
163.14818	25.7
165.12769	4.9
167.07082	5.3
171.11646	5.8
173.13231	12.9
175.14803	22.7
177.16373	25.5
179.14281	10.4
187.14859	13.2
189.09081	5.1
189.16351	27.7
191.14371	3.3
191.17917	21.9
193.15794	3.2
199.14857	3.5
200.74261	2.6
201.16373	13.3
203.17970	31.0
204.18233	3.5
205.19499	16.7
207.17509	13.5
213.16273	2.6
215.17963	17.1
217.19501	25.8
219.17493	5.7
219.21150	4.6
227.18031	4.4
229.19496	13.1
231.21048	8.6
233.19005	5.4
241.19484	3.3
243.21002	7.3
245.22635	6.7
247.20404	3.1
255.21082	3.0
257.22675	8.7
269.22769	3.5
271.24246	5.0
283.24249	3.8
295.98993	2.7
297.25769	4.1
347.09225	3.5
365.10071	8.7
397.26917	2.4
407.14777	9.0
407.36917	27.1
408.37054	2.6
425.11624	4.2
425.21826	3.5
425.38193	63.6
426.38239	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03935	1.9
55.05510	17.7
55.14471	1.8
57.07062	3.6
59.34801	2.0
67.05503	22.9
69.07068	26.7
70.04077	19.8
71.04391	2.9
71.04990	2.1
71.61930	2.6
79.05474	16.8
81.06573	3.5
81.07048	51.8
81.07516	3.2
83.08611	13.8
85.06567	1.9
91.05468	15.7
93.07039	38.2
95.04999	4.0
95.08597	100.0
96.08920	2.2
97.06538	3.7
97.10171	6.2
105.07027	35.3
105.47186	2.0
107.08582	61.8
107.09276	3.1
109.10147	71.1
110.10481	2.1
111.08099	4.5
111.11743	7.2
114.77666	1.6
117.07016	3.4
119.08573	48.8
121.10139	55.0
121.16176	2.0
123.04428	5.7
123.08086	4.5
123.11706	33.4
125.09666	2.1
129.06932	2.0
131.08597	8.1
133.10123	44.0
133.11066	2.6
134.10622	2.2
135.08090	2.3
135.11676	44.4
137.13242	11.3
143.08591	4.1
145.10118	17.3
147.11676	32.4
149.13242	28.5
151.07530	3.7
151.14864	2.8
157.10135	5.4
159.08022	2.4
159.11700	15.0
161.13231	27.0
163.11159	2.1
163.14815	24.3
165.09145	4.5
167.07074	4.2
171.11674	4.4
173.13229	13.0
175.14828	22.2
177.09071	2.3
177.16339	20.7
179.14270	8.6
179.18024	3.3
185.13310	3.6
187.14809	15.8
189.16386	32.0
191.17906	22.1
199.14827	3.9
201.16362	13.3
203.17957	24.0
205.16064	2.1
205.19502	20.1
207.17426	27.2
215.17934	13.4
217.19489	26.9
219.21048	3.3
221.19127	2.2
227.17979	3.1
229.19522	10.9
231.21129	9.9
233.19084	3.3
241.19551	2.3
243.21080	8.6
245.22589	8.6
252.99892	2.9
254.00360	2.9
255.21133	3.0
257.22815	7.5
261.22128	2.2
269.22775	6.6
271.24225	8.7
283.24432	2.1
285.25964	2.3
287.23651	3.1
297.25864	5.5
315.26904	5.5
365.32040	3.3
378.66864	2.2
407.36838	40.2
408.37695	2.0
425.06769	7.3
425.12366	2.7
425.15363	2.1
425.30609	3.8
425.31998	3.1
425.37991	66.2
426.06348	2.6
426.38428	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05501	9.5
57.07076	7.8
59.04985	1.4
60.59272	1.5
65.03931	1.6
67.05495	19.3
69.03385	1.5
69.07064	18.8
69.69411	10.2
79.05483	11.8
81.06570	3.4
81.07049	62.2
83.08608	9.5
91.05453	9.3
93.07037	26.2
95.08600	100.0
97.06499	1.8
97.10178	6.9
99.08090	1.9
105.07018	18.4
107.08586	47.5
109.06513	1.4
109.10149	53.3
110.10519	2.2
111.11725	3.1
117.07010	3.1
117.15424	1.7
119.08572	26.0
121.10136	37.3
123.08049	2.5
123.11703	23.9
125.09559	1.7
131.08546	8.5
133.10114	27.0
133.11067	2.0
135.08063	1.6
135.11684	34.2
137.13248	40.6
143.08574	1.7
145.10103	12.3
147.11682	17.4
149.13232	21.3
151.14780	3.2
157.10129	2.9
159.11673	12.4
161.13245	19.9
163.14827	20.1
171.11610	2.6
173.13275	8.5
175.14848	11.3
177.16402	6.4
179.14342	5.1
185.13237	4.2
187.14798	17.4
189.16351	11.8
191.17931	18.4
199.14830	3.6
200.23779	1.9
201.16325	11.4
202.63264	1.6
203.17949	13.9
205.15894	3.6
205.19464	7.2
207.17337	2.9
213.16319	2.9
215.17912	8.7
217.19463	15.8
219.21089	3.9
227.17932	11.5
229.19495	6.0
232.31004	1.5
233.18973	2.3
245.22562	4.5
255.21172	4.1
257.22626	3.3
267.91669	1.6
269.22693	5.7
271.24167	1.7
314.03827	1.6
315.26819	1.8
373.74838	1.5
389.31900	1.4
407.36862	23.3
425.37949	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.27401	2.1
55.05504	17.4
57.07061	6.3
64.69547	2.5
66.42355	2.1
67.05499	29.8
69.07066	28.3
69.87714	12.1
79.05494	18.3
81.07054	45.7
83.08189	2.4
83.08625	14.7
85.06484	2.6
91.05466	18.0
93.07033	37.0
95.04935	2.2
95.08601	100.0
96.83065	2.1
97.10140	5.5
105.07019	34.4
107.08584	69.5
109.10146	78.3
111.08105	2.1
111.11719	8.1
117.07002	3.0
119.08564	52.0
121.10135	50.4
123.11691	34.1
131.08563	9.9
133.10127	48.7
135.11676	52.2
137.13211	12.0
145.10117	15.1
147.11682	32.3
149.13225	29.8
151.14755	3.6
155.25137	2.2
155.54681	2.0
157.10194	3.0
158.27045	2.4
159.11694	19.5
161.13246	42.7
163.14815	32.5
165.12723	2.7
171.11720	2.5
173.13283	14.0
175.14816	33.2
177.16388	30.4
179.14281	10.6
179.17969	5.4
185.13266	2.9
187.14838	12.4
189.16362	41.0
191.17934	20.8
193.15884	4.5
199.14822	3.3
200.84242	2.4
201.16357	16.2
203.17960	31.9
205.19511	19.4
207.17421	34.8
213.16354	4.4
215.17923	13.9
217.19507	35.5
218.19937	2.4
219.17410	3.2
219.21103	3.4
221.18945	3.6
227.18015	2.8
229.19492	15.3
231.21075	10.1
233.19011	6.0
241.19496	5.3
243.21140	12.0
245.22679	15.6
245.24867	2.5
247.20541	2.4
255.21095	6.2
257.22586	17.2
261.22061	2.5
269.22702	10.3
271.24216	14.3
276.33960	2.1
285.25687	3.6
287.23758	3.9
297.25793	8.4
311.27426	3.5
315.26938	4.0
353.31219	2.6
365.32114	6.9
407.36679	54.1
425.37793	96.3
426.38055	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	425.3774
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03954	2.5
55.05509	19.3
56.96546	2.4
57.07063	7.6
58.89866	2.0
67.05494	29.7
69.03431	3.6
69.07059	31.3
70.07408	2.2
71.04987	2.6
71.08642	2.6
71.61835	3.9
79.05476	19.6
81.07050	60.0
81.07514	3.5
83.08617	18.1
91.05460	13.9
93.07034	39.6
95.04989	4.6
95.08596	100.0
96.08919	3.1
97.02898	3.9
97.06522	5.3
97.10157	10.6
101.27130	2.2
105.07021	40.5
105.07668	3.2
107.04942	4.5
107.08582	65.0
107.09274	3.5
108.69902	2.3
109.06525	3.7
109.10146	83.5
111.08070	3.4
111.11718	6.5
117.07005	3.5
119.08563	50.7
119.09344	3.9
121.10130	58.7
123.04458	9.6
123.08078	5.4
123.11697	42.6
125.09655	3.0
131.08563	10.8
133.10123	39.8
135.04453	2.5
135.08014	2.5
135.11678	43.1
137.06023	3.1
137.09712	2.6
137.13254	18.8
143.08571	5.9
145.10110	18.9
147.08076	2.8
147.10594	4.7
147.11668	34.8
149.06010	2.9
149.13252	20.4
151.07558	5.3
151.11194	2.9
153.01842	4.4
157.10153	5.1
159.11671	16.6
161.13229	35.4
163.11208	2.5
163.14818	23.3
165.09174	8.5
165.12804	3.3
167.07091	4.7
169.10107	3.0
171.02940	4.6
171.11661	3.0
172.12314	2.3
173.13240	14.9
175.14799	21.3
177.05530	4.3
177.12823	2.7
177.16356	20.6
179.14375	10.2
185.13248	2.9
187.11137	3.1
187.14783	13.6
189.12840	2.5
189.16368	26.3
191.14294	3.0
191.17934	18.6
193.85974	2.5
197.13257	2.6
201.16342	13.9
203.10611	2.7
203.17958	31.5
205.16003	2.7
205.19478	14.4
207.06750	2.1
207.17384	17.8
207.19049	2.1
215.18056	10.2
217.19504	26.4
219.21124	3.5
221.19002	3.1
227.18050	5.0
229.19489	11.0
231.21114	5.1
233.19160	3.4
243.21187	8.3
245.22672	4.8
247.20644	4.2
255.21002	3.6
257.22598	11.7
269.19434	2.8
269.22498	4.6
271.24222	3.6
295.05957	4.4
297.25827	3.2
315.26752	3.7
365.10156	3.2
365.32278	4.7
379.11737	5.3
407.10956	3.9
407.36768	33.5
408.27005	2.8
425.12173	9.9
425.16290	6.5
425.25140	10.6
425.31143	5.3
425.37848	75.4
426.38239	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	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	19.9
57.03413	2.1
57.07059	4.9
66.68661	2.3
67.05501	32.7
69.03432	2.3
69.07061	28.7
71.02007	4.2
71.02380	4.4
79.05470	15.6
81.03418	2.9
81.06577	2.7
81.07048	51.3
82.07355	3.0
83.04943	2.8
83.08605	10.3
91.05469	17.2
93.07042	36.6
95.04924	4.1
95.08598	100.0
97.06514	3.7
97.10149	8.2
99.08050	3.1
105.07034	36.4
106.07339	2.2
107.08585	71.6
109.02873	3.5
109.06508	4.2
109.10147	90.8
111.08074	3.7
111.11694	3.6
117.07012	4.6
119.08569	56.6
120.55150	2.4
121.09306	4.7
121.10134	59.9
123.04414	2.4
123.08022	3.3
123.11707	28.5
127.11050	2.4
131.08554	8.5
133.10123	47.3
135.11684	48.2
137.09576	2.8
137.13235	15.7
143.08566	4.5
145.10094	20.4
147.11682	39.2
149.09528	2.8
149.13217	30.2
151.11156	3.2
151.14833	2.4
157.10074	4.1
159.11671	13.7
161.13251	35.7
163.14801	28.9
165.12796	2.5
171.11671	6.1
173.13266	12.6
175.14815	24.9
177.16333	23.8
179.14290	12.0
179.18013	3.5
185.13293	6.9
187.14845	15.6
189.16345	31.1
191.17914	24.5
193.15836	3.3
195.02867	16.3
199.14755	4.7
201.16373	13.7
203.17929	36.6
205.19553	16.3
207.17421	17.7
215.17888	16.4
217.16081	2.6
217.19499	29.8
219.21024	4.1
221.18973	2.6
229.19499	11.4
231.20985	10.3
233.19031	3.2
243.21037	5.2
245.22586	8.3
247.20503	4.3
257.22629	9.5
269.22696	3.3
271.24146	4.6
283.23978	2.6
285.22324	2.6
293.04443	25.2
296.06247	2.7
297.25696	5.2
311.05463	65.0
312.05789	7.1
325.07190	3.8
337.28943	2.7
351.08328	3.9
365.32043	4.8
367.11734	8.5
369.09607	35.1
370.09937	3.4
407.14645	9.9
407.36966	32.7
425.16397	12.4
425.38239	84.3
426.28680	2.4
426.38239	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	425.377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39389	1.7
55.05514	13.7
55.63075	1.8
57.07069	5.9
58.68503	1.6
65.03969	2.2
67.05508	17.8
68.50008	1.6
69.07059	25.2
69.95190	11.3
71.04989	2.2
79.05484	12.0
81.07052	49.8
81.07510	3.0
83.08605	11.9
85.06550	1.8
91.05478	11.6
93.07040	30.7
93.07538	2.5
95.04993	5.5
95.08604	85.2
97.06476	3.2
97.10199	6.1
103.05466	2.1
105.07024	24.2
107.08584	50.3
107.09280	3.1
109.06541	3.8
109.10153	63.5
111.08137	2.4
111.11729	5.5
113.09610	1.9
117.07047	4.3
119.08578	33.8
119.09315	2.3
121.10141	46.3
123.04479	3.9
123.08090	2.7
123.11707	25.5
125.09690	2.7
129.07054	2.2
131.08603	9.4
133.10124	33.5
135.11688	37.1
135.12666	2.1
137.02391	3.0
137.05983	2.6
137.13257	20.6
139.11177	2.5
143.08551	2.8
145.10106	14.4
147.11682	23.8
149.13245	27.1
151.14963	2.5
157.06500	2.1
157.10132	3.6
159.04468	6.0
159.08084	2.2
159.11685	9.7
161.13246	24.0
161.14391	1.9
163.14839	14.5
171.11723	2.1
173.13258	9.6
175.14806	16.8
177.16391	20.2
179.14412	5.5
179.18149	2.1
185.06136	2.3
185.13333	3.1
187.07574	2.7
187.14841	11.8
189.05505	3.6
189.16382	18.8
189.43704	2.0
191.17917	19.7
193.15913	2.4
195.11964	1.9
199.14926	3.8
201.16382	11.2
203.17946	25.7
203.19652	1.9
204.18413	1.7
205.19489	17.4
207.17400	11.1
213.05440	20.5
213.16339	2.1
215.17969	10.1
217.10204	2.2
217.19478	18.8
219.17581	3.2
219.21213	3.4
221.19128	2.6
229.19437	9.1
231.21155	5.4
233.19095	4.5
243.21121	4.7
245.09723	1.9
245.22763	5.7
247.20750	3.6
255.21205	2.9
257.22797	7.1
269.22714	2.8
271.24371	5.5
275.23920	2.5
297.25848	2.8
301.25241	1.9
311.05450	12.8
315.26709	2.4
319.09821	4.8
323.05643	4.0
323.09122	2.1
325.07187	4.0
337.07300	2.0
347.09106	33.2
348.09525	5.1
349.07312	2.7
350.07748	3.1
351.11896	2.7
365.10175	100.0
366.10556	13.0
400.50003	2.0
407.14835	59.0
407.30051	1.6
407.31223	2.1
407.36679	19.6
408.15015	11.1
425.15961	51.8
425.38022	57.2
425.43478	3.5
426.16531	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	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03920	2.0
53.51848	1.7
55.05500	10.8
57.07068	5.1
57.99712	1.7
61.13083	1.6
67.05494	24.8
67.48857	1.8
69.07061	28.1
78.79237	1.5
79.05493	12.4
81.07051	54.7
83.08616	12.6
85.02901	1.9
85.06548	2.2
91.05453	10.1
93.07033	32.6
95.04961	2.9
95.08598	100.0
96.08964	1.7
97.06537	2.2
97.10163	6.0
105.07024	30.9
105.07676	2.9
107.08585	64.6
107.09282	3.8
109.06529	3.1
109.10145	76.4
111.08067	2.1
111.11724	3.8
113.09684	2.3
117.07008	3.7
119.08561	41.1
119.09345	3.4
121.10134	52.1
123.08088	3.0
123.11707	34.7
131.08611	8.5
133.10112	42.0
133.11072	2.7
135.11688	37.0
137.13266	16.2
139.11227	2.3
145.10110	13.6
147.11688	28.5
148.26495	2.0
149.13251	28.4
151.14833	4.3
157.10133	3.1
159.11703	13.8
161.13231	30.5
163.11147	2.3
163.14803	26.5
165.09116	5.7
165.16426	1.9
167.07133	2.5
171.11720	2.9
173.13297	13.9
175.14830	23.9
177.12747	2.1
177.16373	27.4
179.14290	10.4
179.17924	3.9
187.00731	1.8
187.14828	11.1
189.16348	30.1
191.17947	21.3
199.14801	2.1
201.16367	10.8
203.17929	33.2
205.16083	2.7
205.19510	17.1
207.17438	14.9
213.16371	2.5
215.17950	13.7
217.19493	29.7
219.17511	3.8
219.21072	4.8
221.18999	4.2
227.18024	4.4
229.19547	11.5
231.21072	9.3
233.18996	7.0
241.19556	2.6
243.21060	5.0
245.22647	8.1
247.20584	4.7
255.21165	3.2
257.22537	11.8
261.22214	2.2
269.22794	3.7
271.24249	7.0
273.22385	2.4
275.23755	3.2
285.25723	1.9
287.11676	1.9
287.23822	2.6
295.06070	8.0
297.25745	4.5
299.27225	1.8
307.06149	3.3
313.28922	2.4
315.26974	3.5
351.08682	4.9
351.12537	2.8
353.31949	2.8
365.31876	2.8
407.36783	35.1
424.17459	1.9
425.12073	3.0
425.32162	3.7
425.37869	76.4
426.38348	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	425.326
Annotation	Mycaperoxide F methyl ester
Peak:m/z	Relative Intensity
53.03940	3.1
55.01854	6.9
55.05510	37.6
57.07074	26.3
65.08115	1.8
67.05506	22.8
69.03425	2.0
69.07063	70.4
70.90408	4.4
71.08630	14.8
79.05485	13.5
81.03405	5.3
81.06567	3.7
81.07050	55.5
83.04974	3.0
83.08138	3.0
83.08617	47.0
85.10159	7.4
91.05473	11.0
92.05869	1.8
93.07042	21.3
95.01328	4.9
95.04963	4.6
95.08602	56.9
97.06526	5.8
97.10155	26.7
99.08086	2.2
105.07011	14.1
107.04930	3.7
107.08589	24.0
109.06495	4.0
109.10147	35.6
111.04428	3.1
111.08059	4.9
111.11709	12.5
113.02321	2.2
115.03928	3.6
117.06984	3.3
119.04960	2.1
119.08549	16.3
121.06500	7.3
121.10123	16.8
123.04398	2.7
123.08062	7.1
123.11716	21.1
125.02346	38.9
125.13242	4.7
127.03912	19.6
129.06937	3.3
131.08562	9.8
133.06493	2.6
133.10086	14.8
135.08049	5.3
135.11665	12.8
137.05960	5.2
137.13261	10.4
139.03873	11.6
139.07509	7.0
139.14803	3.8
141.05408	2.3
143.03357	4.6
143.08545	2.5
143.46008	2.0
145.10088	6.3
147.07997	2.9
147.11708	10.5
149.09610	6.5
149.13242	8.8
151.03925	2.9
151.07532	7.9
151.14780	4.8
153.05452	8.3
153.09125	2.2
154.65173	2.9
157.10092	3.2
159.08061	2.8
159.11653	7.6
161.09624	4.9
161.13246	5.7
163.07507	6.4
163.11192	2.7
163.14832	3.9
165.09120	10.5
167.07021	12.1
169.08597	7.3
171.11617	5.6
173.13312	4.4
175.07516	3.8
175.11153	3.3
175.14815	6.7
177.09105	6.3
177.16318	4.4
181.08563	17.3
183.10158	5.8
185.13234	4.8
187.14911	3.3
189.09116	4.2
189.12794	3.1
189.16342	4.6
191.10619	2.9
191.17932	5.5
193.08597	9.3
195.10175	12.2
199.14769	2.8
201.16412	3.3
203.10683	4.1
203.14331	3.6
203.17955	5.5
205.15913	2.4
205.19421	2.6
207.10179	5.4
209.11705	5.1
217.15816	4.6
217.19603	2.9
221.11702	4.4
223.13229	6.1
231.13742	3.6
235.13214	3.7
237.14848	4.7
243.21188	2.4
249.14844	7.6
251.16458	13.1
263.16403	14.2
265.17795	4.2
271.09198	2.3
277.17987	7.2
279.19589	7.4
287.12955	2.3
291.19312	3.7
293.20920	3.4
307.22705	9.1
319.22617	6.0
333.13318	9.7
333.24225	7.2
343.29959	8.4
345.31659	2.8
353.28369	2.6
371.29456	17.9
389.30493	100.0
407.31543	28.9
425.18085	24.9
425.34274	17.5
426.18250	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13935	0.5
55.01858	1.1
55.05498	2.2
56.10264	0.4
56.20626	0.5
56.96548	0.6
57.03421	0.7
57.07065	1.0
60.04535	0.5
65.11097	0.5
67.05508	4.5
69.03409	2.1
69.07057	3.9
71.04982	0.8
71.22849	0.9
72.08134	1.7
79.05486	3.8
81.03407	0.9
81.07050	10.2
83.05019	1.1
83.08605	2.1
85.02886	1.0
85.06548	1.0
91.05465	4.3
93.07027	5.7
95.04935	1.2
95.08599	11.2
95.09175	0.4
96.08900	0.5
97.02882	1.6
97.06509	1.7
97.10154	1.4
98.84859	0.4
103.05443	0.6
105.07018	5.8
107.04929	1.1
107.08579	6.9
109.02868	1.0
109.06507	1.3
109.10136	7.4
111.04441	0.6
111.08073	1.0
117.07018	1.0
119.04917	0.6
119.08554	5.0
120.08118	0.9
121.02827	0.9
121.06483	1.1
121.10125	5.8
123.04409	1.3
123.08055	0.9
123.11692	2.9
125.09604	0.9
127.03924	1.2
131.08568	1.9
133.06490	1.1
133.10121	4.2
135.04399	0.5
135.08054	1.4
135.11687	4.6
137.02325	0.8
137.05966	0.6
137.09645	0.5
137.13211	2.3
139.07471	0.6
141.07051	0.7
143.08517	0.6
145.02829	0.8
145.06456	0.8
145.10106	2.6
147.04404	2.0
147.08090	0.6
147.11662	3.9
149.06041	0.6
149.09627	0.9
149.13208	2.1
151.04025	0.5
151.07541	3.9
157.08821	0.5
157.10088	1.3
159.08040	0.7
159.11670	1.8
160.05370	0.5
161.05952	0.9
161.13217	2.6
163.03920	0.8
163.07489	0.6
163.11186	0.8
163.14810	1.8
165.09117	2.6
167.07039	2.2
171.11668	1.2
173.09598	0.8
173.13287	1.9
173.35953	0.5
175.07472	1.0
175.11240	0.6
175.14801	2.2
176.14839	0.4
177.05525	1.4
177.09090	0.9
177.16415	1.6
179.06937	0.5
185.13251	0.7
187.14844	1.3
189.05443	1.3
189.09067	0.7
189.12717	0.8
189.16400	1.7
191.10655	1.4
191.17937	2.2
195.02902	0.6
201.16327	1.2
203.07133	0.6
203.10670	1.0
203.17978	2.2
205.12169	0.8
205.19473	1.2
207.06557	0.6
213.16457	0.5
215.14336	0.5
215.17905	0.7
217.15955	0.5
217.19521	1.8
229.19447	0.9
233.18915	0.5
238.49799	0.4
243.21010	0.8
245.11865	0.5
245.19086	0.5
271.24158	0.5
284.94260	0.4
297.25699	0.7
299.05438	0.7
311.05475	3.5
325.07175	1.6
327.08795	0.5
337.10803	1.2
347.22491	0.5
355.08188	0.6
364.09207	1.0
369.09683	1.2
371.25784	0.8
379.11948	0.9
392.08832	1.3
407.11041	5.1
407.14801	0.4
407.37054	1.3
425.12598	5.5
425.25058	100.0
425.37839	5.5
426.12802	0.6
426.25531	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.05517	1.5
57.03418	0.3
57.07063	0.3
59.04977	0.4
65.03921	0.3
67.05496	2.5
69.03404	0.9
69.07066	2.7
70.06577	0.4
71.04979	0.3
72.08138	1.2
73.66801	0.2
77.57399	0.3
78.21078	0.3
79.05486	1.8
81.03400	0.5
81.07049	5.5
83.04951	0.9
83.08600	1.3
84.08132	0.3
85.02888	0.6
85.06532	0.4
91.05473	2.1
93.07042	3.8
95.04922	0.6
95.08599	7.7
96.08128	0.3
96.08842	0.3
96.39773	0.3
97.02863	0.8
97.06532	0.8
97.10155	0.8
99.04443	0.3
103.05457	0.3
105.07011	3.5
107.08583	4.6
109.02872	0.4
109.06502	0.9
109.10150	4.2
111.04471	0.4
111.08050	0.7
111.11645	0.5
117.07036	0.8
119.05003	0.3
119.08565	3.1
121.06510	0.5
121.10139	4.1
122.10490	0.3
123.08054	0.5
123.11700	2.6
125.06023	0.4
127.03906	0.7
129.06999	0.4
131.08543	1.2
133.06487	0.5
133.10120	2.2
135.08028	0.7
135.11691	2.3
137.02359	0.4
137.05978	0.6
137.13240	1.3
143.08525	0.6
145.10115	1.5
147.04391	0.8
147.08092	0.4
147.11710	2.1
149.05893	0.3
149.09673	0.4
149.13260	2.5
151.07506	2.6
155.07135	0.3
157.10109	0.8
159.11699	1.5
161.05923	0.5
161.09554	0.5
161.13327	1.7
163.03897	0.3
163.07532	0.5
163.14787	1.4
165.09093	2.3
167.07014	1.8
171.11710	0.6
173.13251	1.2
175.07541	0.3
175.14810	1.0
175.99286	0.3
177.05457	0.4
177.09071	0.4
177.16371	1.1
181.00798	0.3
183.11681	0.3
185.13301	0.6
187.11252	0.4
187.14830	0.9
189.09090	0.7
189.16371	0.9
191.10666	0.7
191.17926	1.4
199.11182	0.3
199.14742	0.3
201.16360	0.8
203.10619	0.4
203.17944	1.7
205.12233	0.5
205.19484	0.5
207.17336	0.4
215.17953	0.9
217.19539	0.9
219.17484	0.3
229.19539	0.5
233.18936	0.3
255.21030	0.4
261.22183	0.3
263.12451	0.3
308.01083	0.3
325.07159	0.8
351.12149	0.3
355.08044	0.6
361.10550	0.5
364.09207	0.4
379.11591	1.0
407.11050	0.5
407.32785	0.8
407.37183	0.7
425.13217	2.2
425.25052	100.0
426.25253	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
53.75318	0.3
55.05500	1.3
57.07066	0.9
67.05501	2.5
69.03415	0.6
69.07059	2.7
69.89572	1.6
71.04966	0.3
71.53930	0.4
72.08156	0.7
73.03181	0.3
79.05478	1.7
81.07046	5.9
83.04944	0.6
83.08603	1.1
84.08130	0.5
85.02898	0.7
85.06510	0.6
91.05486	2.6
93.07038	5.4
94.37370	0.3
95.04969	1.1
95.08596	7.0
97.02876	0.9
97.10178	0.5
99.04475	0.3
105.07027	3.3
107.04936	0.4
107.08600	3.7
109.06531	0.4
109.10146	4.1
117.07047	0.4
119.08566	3.3
120.82078	0.3
121.06484	0.8
121.10147	3.5
123.04396	0.6
123.08045	0.5
123.11687	2.6
125.06011	0.4
127.03928	0.7
131.08563	1.0
133.10126	3.1
135.08055	0.6
135.11711	2.1
137.05998	0.7
137.09622	0.5
137.13239	1.2
139.07489	0.9
143.08540	0.7
145.10121	1.6
147.04428	1.0
147.08005	0.5
147.11678	2.2
149.06018	1.4
149.13223	1.6
151.07535	2.7
153.09103	0.4
157.10240	0.4
159.11603	1.6
161.13272	1.2
163.07553	0.4
163.11160	0.4
163.14799	0.6
164.39330	0.3
165.09090	2.4
165.12886	0.4
167.07028	20.2
171.11674	0.5
173.09576	0.5
173.13264	0.8
175.14783	2.0
177.05376	0.5
177.09137	0.8
177.16350	1.3
181.08612	1.0
187.11075	0.4
187.14848	0.7
189.09100	0.6
189.16397	1.0
191.10648	0.8
191.17950	1.1
194.11461	0.4
201.16299	0.7
203.17947	3.2
205.12231	0.9
207.10201	0.6
215.10570	0.4
215.17880	0.4
217.19455	0.9
229.19618	0.6
233.19334	0.4
245.22598	1.1
245.66557	0.4
325.07043	0.5
351.21286	0.5
379.11566	0.7
407.11069	0.7
425.25076	100.0
425.30194	5.9
425.36517	2.1
426.25269	2.4
442.66956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
53.75318	0.3
55.05500	1.3
57.07066	0.9
67.05501	2.5
69.03415	0.6
69.07059	2.7
69.89572	1.6
71.04966	0.3
71.53930	0.4
72.08156	0.7
73.03181	0.3
79.05478	1.7
81.07046	5.9
83.04944	0.6
83.08603	1.1
84.08130	0.5
85.02898	0.7
85.06510	0.6
91.05486	2.6
93.07038	5.4
94.37370	0.3
95.04969	1.1
95.08596	7.0
97.02876	0.9
97.10178	0.5
99.04475	0.3
105.07027	3.3
107.04936	0.4
107.08600	3.7
109.06531	0.4
109.10146	4.1
117.07047	0.4
119.08566	3.3
120.82078	0.3
121.06484	0.8
121.10147	3.5
123.04396	0.6
123.08045	0.5
123.11687	2.6
125.06011	0.4
127.03928	0.7
131.08563	1.0
133.10126	3.1
135.08055	0.6
135.11711	2.1
137.05998	0.7
137.09622	0.5
137.13239	1.2
139.07489	0.9
143.08540	0.7
145.10121	1.6
147.04428	1.0
147.08005	0.5
147.11678	2.2
149.06018	1.4
149.13223	1.6
151.07535	2.7
153.09103	0.4
157.10240	0.4
159.11603	1.6
161.13272	1.2
163.07553	0.4
163.11160	0.4
163.14799	0.6
164.39330	0.3
165.09090	2.4
165.12886	0.4
167.07028	20.2
171.11674	0.5
173.09576	0.5
173.13264	0.8
175.14783	2.0
177.05376	0.5
177.09137	0.8
177.16350	1.3
181.08612	1.0
187.11075	0.4
187.14848	0.7
189.09100	0.6
189.16397	1.0
191.10648	0.8
191.17950	1.1
194.11461	0.4
201.16299	0.7
203.17947	3.2
205.12231	0.9
207.10201	0.6
215.10570	0.4
215.17880	0.4
217.19455	0.9
229.19618	0.6
233.19334	0.4
245.22598	1.1
245.66557	0.4
325.07043	0.5
351.21286	0.5
379.11566	0.7
407.11069	0.7
425.25076	100.0
425.30194	5.9
425.36517	2.1
426.25269	2.4
442.66956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1957
Annotation	Dorsmanin E
Peak:m/z	Relative Intensity
52.92134	0.3
53.19695	0.3
54.06467	0.3
55.01870	0.8
55.05500	0.7
57.07077	0.6
57.84507	0.3
59.22019	0.3
60.77754	0.3
61.94657	0.3
65.03916	0.3
66.00301	0.3
67.05501	2.7
69.03427	0.5
69.07045	0.8
69.90431	0.7
69.90839	1.3
70.43899	0.3
79.05490	1.1
81.07048	2.8
82.62424	0.2
83.08630	0.6
89.19494	0.3
91.05469	0.8
93.07045	1.5
94.04524	0.3
95.04973	3.1
95.08594	2.8
97.06580	0.3
105.03379	0.3
105.07018	1.1
107.04954	0.4
107.08576	1.9
109.02854	0.3
109.06525	0.4
109.10117	1.8
117.07001	0.3
119.08581	1.4
121.10125	1.9
123.04419	100.0
123.11682	0.7
124.04761	1.2
131.08507	0.7
133.10127	1.0
135.08092	0.3
135.11673	1.0
141.06915	0.3
143.08563	0.3
145.10110	0.8
147.04401	0.4
147.11670	1.1
149.13255	0.8
151.07559	0.5
155.08629	0.3
157.06551	0.4
157.10127	0.6
159.11653	0.5
161.13280	1.0
163.14836	0.5
167.06918	0.3
173.13289	0.7
175.14842	0.8
177.01857	0.5
185.05945	0.7
185.13390	0.3
187.03880	0.4
187.14801	0.5
189.16335	0.7
191.03386	8.2
191.17976	0.6
191.47818	0.3
195.02870	1.6
199.03867	0.4
199.14728	0.4
201.16380	0.3
203.03386	4.7
207.77342	0.3
211.07463	0.5
213.05406	1.5
217.19322	0.4
221.05927	0.5
233.08070	0.4
233.55365	0.3
239.07027	0.7
241.05083	0.6
241.19562	0.3
247.09660	4.9
253.04968	0.3
259.09570	1.5
267.06522	5.0
269.22388	0.3
279.37680	0.3
283.05820	0.3
295.05988	47.1
296.06476	1.4
309.03888	2.3
313.07056	6.4
314.07733	0.3
327.05042	0.4
333.07455	0.5
351.08490	2.5
351.12268	20.7
352.08627	0.3
352.12628	1.0
369.13306	30.7
370.13641	1.3
407.14218	0.6
407.18576	0.9
407.33087	0.5
425.19681	3.0
425.29721	0.6
425.33939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2069
Annotation	Obscurinervidine
Peak:m/z	Relative Intensity
51.14837	0.4
53.00308	0.5
55.01867	1.2
55.05497	1.2
57.03417	0.9
67.05499	2.0
69.03420	0.9
69.07066	16.3
70.06586	2.5
71.04967	0.7
72.08150	4.8
79.05474	0.9
80.01372	1.4
81.03398	0.9
81.07046	1.0
82.02936	4.3
83.04970	0.5
83.08639	0.5
84.04483	0.7
84.08132	2.2
84.68451	0.4
85.02898	1.5
86.09701	5.8
91.05469	2.4
93.07026	1.3
95.01313	0.9
95.04979	0.7
95.08601	1.6
97.02885	1.4
97.06514	0.6
97.07659	0.6
97.84587	0.4
98.02413	6.6
98.06055	0.8
98.09691	0.7
98.21564	0.6
98.78458	0.5
98.97527	0.4
99.08125	0.4
100.11259	1.5
105.07011	1.2
107.04951	1.8
107.08598	0.8
109.02892	0.6
109.06539	0.9
109.10150	0.6
110.02394	100.0
111.02740	2.0
111.04481	0.6
111.11704	0.8
112.07576	0.6
114.09161	1.7
114.10282	1.8
115.05460	0.6
115.08707	0.6
115.10568	0.5
117.03358	1.0
117.06960	0.6
119.04914	3.2
120.05292	0.5
120.08086	0.5
121.02806	0.8
121.06506	0.4
121.10125	0.8
124.03930	4.1
124.07563	0.8
127.03888	0.6
131.04991	0.5
133.10144	0.6
135.04453	0.5
136.07545	0.6
137.05978	1.3
138.09123	0.6
139.11185	2.0
140.10681	1.5
141.06995	0.5
142.08636	1.2
145.02834	4.3
145.06476	1.7
147.04411	8.8
148.04733	1.3
149.04956	0.7
149.06020	0.8
149.09619	0.6
152.07037	1.0
153.07164	0.6
155.08511	0.5
157.11015	0.5
157.12263	1.7
161.05988	0.7
163.03911	1.3
164.07001	0.6
165.07004	1.3
166.08635	19.6
167.06998	1.0
167.08736	0.4
168.10098	1.0
175.07513	3.2
177.05484	5.0
178.05840	0.6
182.15385	1.2
183.08043	2.1
183.11278	46.5
184.11673	1.2
187.07452	0.7
201.05647	0.7
210.14853	1.1
211.07576	1.3
215.07059	0.9
218.11780	0.5
221.11389	0.5
227.20114	0.5
228.07695	0.5
231.15837	0.9
241.19040	0.5
243.10196	2.1
249.15994	1.5
258.21979	0.5
259.09790	0.6
267.10080	0.5
279.17084	1.6
279.76837	0.5
283.05884	0.4
284.23425	0.6
287.01685	0.7
295.09595	0.7
309.07587	1.0
314.13828	0.7
333.13254	0.8
351.14594	0.5
368.25446	0.6
408.17917	0.8
410.17432	0.4
425.20712	59.0
425.31012	1.8
426.21161	3.8
447.75262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01868	0.6
55.05503	1.2
57.03432	1.9
59.04994	0.6
61.02910	0.5
66.43120	0.6
69.03435	4.1
69.07066	2.0
70.06593	1.2
70.63289	1.4
71.04991	1.3
72.08153	2.8
73.02924	0.7
79.05509	0.5
81.03400	2.0
81.07066	0.6
83.05009	0.9
84.08161	0.7
85.02895	3.0
87.29841	0.6
91.05495	0.8
93.07053	0.5
95.08681	0.9
96.04520	0.6
97.02907	1.1
99.04443	5.2
103.03971	1.5
105.07041	0.6
106.02929	1.3
109.02908	1.0
117.05561	1.4
119.04930	0.5
120.08158	0.6
124.03965	3.1
127.03907	3.4
138.67365	0.5
146.08421	1.4
147.04468	2.3
147.09158	50.6
148.09558	0.7
157.10829	0.6
159.09277	1.7
160.09969	1.6
161.10783	1.5
175.04022	0.6
185.74683	0.6
185.76405	0.5
188.22862	0.6
189.10231	4.2
207.07948	0.6
219.11346	1.5
233.12773	0.5
245.12842	2.6
259.07886	6.8
263.14056	1.7
281.14920	7.2
295.05991	1.0
304.11734	0.5
307.36383	0.6
311.10123	0.6
320.88385	0.5
323.16043	4.3
363.19128	7.6
363.23010	0.7
365.17035	13.3
365.21344	0.7
389.17264	1.0
407.07693	0.5
407.09521	0.5
407.18137	1.1
425.19055	100.0
426.19394	3.4
428.22449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01841	0.7
55.05512	1.3
56.96555	0.8
57.03450	1.4
60.23789	0.5
61.02912	1.7
67.05512	3.4
69.03426	4.1
69.07059	1.1
69.71329	1.8
69.71735	2.7
70.06586	4.5
71.04984	1.7
72.08149	10.8
73.02917	1.1
76.12605	0.7
76.38647	0.5
79.05482	1.1
80.05013	10.2
81.03403	2.7
81.07054	1.4
84.04499	0.7
84.08143	3.9
85.02889	6.5
85.06538	0.8
86.06031	0.6
86.09694	1.4
87.04458	1.1
89.10783	1.5
91.05484	2.6
92.81712	0.7
93.07014	0.7
95.04958	0.7
95.08607	1.5
97.02887	4.6
98.06059	1.2
98.09734	0.8
98.97593	1.7
99.04468	0.7
102.05487	0.6
103.05421	0.7
105.07028	1.9
107.04997	0.9
107.08580	0.6
108.04494	2.1
108.08092	4.1
109.05272	2.1
109.06499	0.6
109.10165	2.9
110.02386	0.7
110.06042	1.7
110.49940	0.6
111.04421	0.7
114.10265	1.4
115.08666	0.7
116.07079	1.0
119.05000	1.6
120.08102	1.3
121.06494	0.8
122.05980	0.7
124.07613	1.0
126.05505	21.8
127.03903	2.1
130.06506	1.3
131.12930	0.6
132.04437	2.3
133.06491	0.7
136.07521	0.7
141.12823	0.7
145.02870	1.2
145.04996	0.8
146.06010	2.9
146.99638	0.6
147.04382	10.1
148.07640	1.0
152.06984	1.5
155.08572	1.2
158.06012	9.5
159.06805	0.7
160.07582	2.2
161.05977	1.8
162.09113	0.6
163.03835	3.3
167.07259	2.3
172.07564	1.2
172.11203	1.5
173.05884	0.7
174.09126	18.5
174.10562	1.3
177.00691	1.1
177.05473	1.7
177.09076	0.8
178.05846	1.0
182.09683	2.8
184.07619	2.0
185.03809	1.1
185.08324	3.9
186.09113	0.6
188.07068	0.9
188.10689	17.8
188.98862	0.7
191.07124	0.9
193.08527	0.8
198.09137	2.2
200.10690	93.1
201.10973	1.4
215.07065	0.8
217.13344	100.0
218.11710	2.8
218.13591	1.3
219.01761	1.3
227.11862	1.0
230.07918	1.1
235.14378	10.1
239.08585	4.1
239.58739	0.9
245.12840	76.7
246.13206	1.0
249.02791	1.4
251.13927	1.0
263.13895	78.4
264.14252	1.3
291.03952	1.4
312.05850	0.9
318.42096	0.7
354.13342	0.9
377.98190	0.7
389.16873	0.9
397.19531	1.5
407.18106	0.9
407.22849	4.5
425.09189	1.4
425.19034	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05478	1.3
56.96534	3.5
56.96801	1.0
57.26199	1.0
67.05474	2.9
69.03388	2.5
69.07034	1.1
70.06555	3.4
71.08468	1.8
71.08815	2.7
72.08121	4.3
78.85053	1.1
81.03380	1.9
81.07006	1.2
83.04944	1.4
84.08093	2.1
85.02869	2.3
86.09650	1.9
91.05454	1.8
95.08598	2.3
97.06489	1.6
98.97575	16.5
99.04408	1.5
107.04954	1.3
107.08538	1.7
109.02857	2.3
110.02348	2.1
116.98607	11.7
119.08530	1.4
119.93988	1.5
120.26164	1.0
121.02850	1.3
124.03950	1.8
127.03831	2.0
129.10208	1.4
134.99663	7.2
135.04404	1.1
137.02174	1.3
140.00116	1.2
146.99622	2.7
147.04468	6.7
147.09088	4.6
157.07623	1.1
177.00591	2.0
177.05402	2.1
207.13838	1.1
209.15324	1.4
237.02744	1.5
259.07681	1.2
263.09598	5.3
281.10547	5.0
281.62454	1.1
304.11652	3.7
305.10474	2.3
311.05011	1.4
323.11612	9.8
337.06854	1.8
341.06302	5.0
341.12503	2.9
365.12311	3.1
379.07953	1.7
407.07339	3.0
407.22318	1.4
425.08591	4.8
425.15350	100.0
426.15732	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.159
Annotation	fumicycline A
Peak:m/z	Relative Intensity
55.05496	1.1
57.07061	0.6
57.80818	0.3
67.05505	2.0
69.07074	2.0
69.55136	3.0
71.05011	0.4
79.05479	1.1
81.07053	4.1
82.35926	0.3
83.08601	1.1
91.05456	1.5
93.07054	2.6
95.04932	0.6
95.08593	6.5
98.20717	0.6
99.08090	0.9
105.07024	2.1
107.04917	0.4
107.08577	3.9
109.06516	0.6
109.10149	3.9
111.11733	0.5
111.96436	0.4
119.08575	3.6
120.82172	0.3
121.02832	0.4
121.06493	0.5
121.10129	3.3
123.08064	0.7
123.11674	2.1
131.08537	1.1
133.10089	2.7
135.11679	2.3
137.13318	0.9
143.08571	0.5
145.10135	1.7
147.04372	0.8
147.11664	1.4
149.13234	1.2
151.07503	0.6
157.10077	0.6
159.11717	1.0
161.13228	1.9
163.14862	1.3
165.05475	0.6
173.13307	0.6
175.14810	1.2
177.05408	0.5
177.16519	0.7
179.14285	0.4
187.14842	1.0
189.16360	1.4
191.17963	1.1
199.07487	0.4
201.16277	0.6
203.17943	1.5
205.19482	0.7
205.21323	0.5
207.17455	0.7
213.05368	0.4
215.18022	0.6
217.19510	0.8
227.07013	1.0
227.17763	0.4
229.05098	1.0
229.19511	0.8
235.07709	0.4
243.21161	0.5
245.08157	0.5
251.07037	0.4
252.08057	0.6
255.06535	1.4
257.22644	0.6
262.08304	0.6
263.07150	0.6
270.08917	0.7
281.08005	0.5
283.06052	0.8
295.06058	0.5
303.09933	0.7
307.09329	0.6
309.07483	1.9
311.05490	0.6
313.07144	1.6
317.11606	0.6
319.09549	1.1
321.07468	2.0
321.11008	0.8
323.05511	1.0
325.07147	0.7
327.09036	0.6
331.09680	0.7
333.07626	0.6
333.11179	0.6
335.05496	0.7
335.09158	1.7
337.07016	8.7
337.10669	0.9
338.07635	0.9
345.11185	2.2
347.09055	0.4
349.07077	3.3
349.10706	1.4
351.08566	0.6
353.10178	14.8
355.09723	0.4
359.09003	2.3
361.10513	0.5
363.08527	1.5
363.12314	2.9
365.10062	3.1
365.14011	1.0
373.10657	7.3
374.11212	1.0
376.09668	0.8
377.10117	4.2
378.11053	2.0
379.11621	1.6
379.15945	0.6
389.13797	9.5
391.11725	14.3
392.12463	3.3
407.14865	40.2
407.36670	1.2
408.15167	1.7
409.12756	0.5
425.15906	100.0
425.38522	2.9
426.16284	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	425.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19023	1.0
69.92204	2.2
69.92614	2.9
71.40707	0.9
82.99874	1.5
97.02906	1.0
101.00874	8.5
113.00850	1.4
118.08639	1.4
119.01911	27.1
127.02414	2.7
131.01889	9.8
137.02931	4.0
139.02377	0.9
139.67903	0.9
143.01884	23.2
144.02025	1.2
145.03444	10.1
147.01375	2.3
149.02980	2.5
155.01877	10.9
157.03453	4.8
161.02948	54.0
161.18954	0.9
162.03069	0.9
163.04521	1.6
167.01857	5.9
169.03508	2.5
171.05003	2.6
173.02956	20.9
175.04454	2.0
179.01910	2.6
179.04044	1.6
184.04611	1.4
185.02942	36.5
185.80725	0.8
186.03084	1.4
187.04509	4.1
189.05873	1.0
191.04042	5.2
196.04546	0.9
197.02966	15.3
203.04004	15.9
209.02812	1.1
215.03986	7.5
221.05067	1.8
227.03996	6.6
233.05075	1.5
245.05051	100.0
246.05241	4.3
257.05026	5.3
263.06110	27.5
275.06094	12.6
293.07239	5.5
305.07135	9.7
335.08102	4.8
365.09265	8.8
398.95132	1.1
425.06406	6.2
425.11398	19.9
426.11954	1.1
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
55.01857	2.3
55.05499	12.1
56.05021	3.6
57.03434	1.6
58.67313	1.2
60.94864	1.4
65.03940	2.2
67.05492	3.5
68.70871	1.1
69.03426	6.8
69.07048	5.5
69.72105	1.1
69.78898	5.8
69.79319	2.9
70.06591	16.5
71.04974	3.8
71.06884	1.3
72.08150	33.4
73.02906	1.3
73.08479	2.1
74.06069	5.2
79.05477	3.5
81.03406	4.5
81.07064	6.0
83.04962	6.7
83.08617	1.9
84.04055	1.6
84.04485	7.9
84.08148	11.9
85.02902	10.9
85.04011	1.8
85.06520	2.7
86.06071	3.0
86.09694	5.4
87.04453	1.7
87.29648	1.2
89.03870	1.2
89.10773	2.0
91.03880	1.2
91.05472	12.5
93.07034	6.2
95.04955	8.0
95.08584	5.3
96.08154	1.6
97.02868	5.5
97.06501	2.4
97.10181	1.5
98.06046	4.3
98.09695	13.1
98.21513	1.3
98.97577	3.0
99.04447	2.9
99.09966	3.4
100.11243	2.0
101.60880	1.2
102.05524	3.5
105.07011	8.5
107.04903	3.0
107.08570	9.0
108.04492	1.2
109.02876	2.6
109.06496	2.7
109.10143	7.2
110.02383	2.4
110.07143	4.3
111.04428	1.6
111.08077	2.1
113.10685	1.3
114.05474	1.3
114.09156	1.9
114.10266	4.8
115.08660	2.8
116.07049	2.2
116.98609	2.5
117.07038	1.4
118.06420	1.2
118.43580	1.1
119.04944	19.7
119.08562	5.2
120.08105	5.0
121.02944	1.3
121.10142	40.0
121.11018	2.2
123.04412	1.8
123.08051	2.9
123.11698	1.8
125.09669	1.8
127.03883	6.1
129.10234	4.6
130.05035	1.4
130.06497	1.3
131.08510	2.6
131.12961	2.5
133.06435	1.1
133.10126	10.5
134.99620	1.4
135.08073	1.9
135.11688	3.2
136.07565	2.1
137.05971	3.0
138.05499	2.1
138.28903	1.2
139.11157	5.9
140.07092	1.8
141.10234	1.3
145.02806	3.7
145.04916	3.1
146.05956	1.4
146.99747	1.3
147.04405	100.0
147.11681	9.1
148.04771	9.0
149.06012	1.8
149.09671	1.5
150.09126	9.3
151.11122	2.9
151.13031	1.3
152.06992	2.3
153.09103	2.2
158.05898	1.8
158.65977	1.5
159.09230	2.9
161.05927	1.8
163.03867	3.0
163.14790	2.7
165.12738	2.8
166.08620	3.9
167.07042	6.1
167.11784	5.5
170.13734	1.8
173.13274	7.3
175.03926	1.9
175.14775	3.7
177.00737	1.6
177.05421	10.5
183.06650	1.4
191.14311	15.8
194.08061	6.9
209.15349	28.0
211.10759	2.8
215.13866	2.9
216.10081	1.4
216.14195	3.9
218.11742	5.5
218.17278	3.6
219.01430	1.4
219.12207	1.4
226.10747	3.2
227.16476	6.1
233.13199	1.9
234.11234	1.4
234.13544	2.1
235.14384	4.6
244.09650	1.6
244.11839	1.7
244.14984	1.4
261.15994	4.6
262.07147	1.8
262.10709	5.8
262.16302	16.2
263.13885	2.4
277.16492	1.3
279.13788	1.9
280.13977	3.9
293.07709	1.7
313.15387	18.5
357.06799	1.3
357.14383	5.6
389.16788	2.6
406.15302	2.7
406.21201	1.6
407.18552	2.0
414.69711	1.6
424.16440	5.0
424.21722	2.6
425.09003	2.4
425.18674	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	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02763	0.8
53.03939	1.2
55.01867	1.4
55.05507	16.3
56.05033	1.3
56.96568	3.1
57.03424	2.4
59.04976	1.1
61.02909	1.9
65.03914	1.6
67.05505	4.9
69.03423	7.6
69.07058	5.9
70.06590	5.2
70.10713	1.1
71.04974	3.2
71.61780	1.1
71.62155	1.2
72.08146	6.1
73.02892	1.5
79.05490	2.8
81.03421	3.5
81.07034	5.6
83.04978	8.9
83.08619	12.6
84.04497	1.6
84.08128	2.7
85.02897	10.7
85.06520	2.7
86.06078	1.3
86.09698	3.0
87.04469	1.2
89.10791	1.4
91.05479	21.5
92.05825	1.2
93.07034	8.2
94.06500	1.1
95.04962	24.4
95.08603	3.9
96.08044	1.0
97.02887	3.9
97.06510	3.3
97.10168	1.3
98.97565	6.2
99.04450	7.2
100.07604	3.8
101.06013	1.8
105.07040	5.0
107.04981	1.1
107.08584	12.8
108.10156	0.9
109.02876	4.0
109.06506	3.5
109.10138	6.8
110.02371	1.6
111.08070	4.0
116.98605	4.3
117.03393	2.3
117.07047	1.2
119.04921	3.0
119.08591	4.3
121.10139	20.5
123.11691	6.0
125.09632	3.5
126.05515	1.9
127.03913	3.9
131.08575	1.7
133.10115	6.3
134.99635	1.2
135.04425	2.3
135.11707	2.1
136.07571	2.6
137.02318	2.4
137.09631	1.1
143.86487	1.1
145.02797	1.6
145.04968	1.5
145.10071	1.2
146.06021	1.9
146.99611	1.5
147.04434	7.1
147.11694	2.1
149.13252	2.2
151.11197	18.0
153.09088	8.5
158.99689	2.8
163.03891	9.2
163.14845	5.9
164.06999	1.0
167.07063	5.4
167.14302	22.6
168.07384	1.5
172.09816	1.2
173.13264	3.2
175.14764	7.9
177.00664	2.8
177.05527	3.4
178.08676	2.9
186.05466	1.1
189.00664	1.8
191.14250	5.8
197.04871	1.7
200.10623	1.3
201.10951	1.9
207.03169	1.4
209.15349	100.0
210.15691	2.7
214.08536	2.2
218.11813	1.9
219.01787	1.5
223.09155	8.4
223.59325	1.7
225.07924	1.2
227.16423	6.5
232.09627	2.5
237.02863	3.6
243.08952	1.0
243.60498	2.2
244.11783	1.8
258.10699	0.9
261.12323	15.7
262.10062	2.0
262.12677	33.4
263.07117	1.1
263.13245	1.6
283.12201	1.3
309.07062	1.2
311.05597	2.0
311.09433	1.2
323.05228	1.0
325.13129	2.2
326.13660	1.0
327.07397	3.5
334.13745	1.7
337.07098	1.6
341.06549	4.0
343.14087	2.4
371.20929	1.2
379.07861	1.9
406.16995	1.1
407.07544	5.3
424.16934	7.5
424.67014	1.8
425.08582	7.3
425.13919	89.2
441.10767	8.6
442.10742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41583	0.1
55.01850	0.2
55.05492	0.8
62.85529	0.2
63.02368	0.3
64.23844	0.2
69.03408	0.3
69.24805	0.1
69.82669	0.3
69.83076	0.9
70.06553	0.2
81.07025	0.2
84.08115	0.6
85.02871	0.4
86.09689	0.6
89.03897	1.9
91.05460	0.3
95.04938	0.2
97.02863	0.3
98.21455	0.2
107.08574	0.2
109.10123	0.2
112.07584	0.5
117.03366	8.9
119.08563	0.3
121.62923	0.2
121.63783	0.2
127.03896	0.9
134.03613	0.6
135.04430	0.9
145.02829	43.4
146.03203	0.5
147.04405	0.3
148.12025	0.2
149.05957	3.6
161.02979	0.2
162.03088	0.3
163.03885	0.6
172.83344	0.2
177.05449	100.0
178.05824	1.3
186.05455	1.2
193.54305	0.2
201.16479	0.2
219.10152	0.2
262.14349	76.7
263.14624	1.4
342.07925	0.2
347.86920	0.2
361.11197	0.2
424.19638	5.6
425.12436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79948	0.1
55.01849	0.4
55.05498	0.4
58.02958	0.2
58.06586	0.6
65.26583	0.2
69.03423	0.6
69.07069	0.3
70.06574	0.5
72.08157	0.9
79.05465	0.2
81.03408	0.3
81.07032	0.3
84.08139	0.7
85.02916	1.5
86.09692	0.7
87.04414	0.2
91.05502	0.3
95.08592	0.4
97.02898	0.4
97.06544	0.2
98.06067	0.2
98.09693	0.2
99.11776	0.1
99.87440	0.1
105.07009	0.2
107.08614	0.2
109.02817	0.2
110.02393	0.8
110.06002	0.2
110.09620	0.2
111.02725	0.2
112.07596	100.0
113.07922	1.4
114.10284	0.7
115.10641	0.2
119.04945	0.4
119.08639	0.2
120.08073	0.2
127.03910	0.6
133.10101	0.2
135.11655	0.2
145.02850	0.4
145.04959	0.3
147.04404	1.7
147.11711	0.2
148.04756	0.7
151.03885	0.3
152.07098	0.5
153.07361	0.3
155.54111	0.2
167.07024	0.5
173.09709	0.2
177.05423	0.8
262.14368	15.1
263.14667	0.3
274.40994	0.2
278.16849	0.3
330.22443	0.2
424.20438	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	424.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05486	1.1
55.37340	0.5
57.03440	0.6
57.09557	0.4
61.02904	0.7
67.05503	0.5
68.40726	0.4
69.03422	1.9
69.07050	0.5
70.06561	0.6
71.62498	0.4
71.62866	0.6
72.08127	0.5
78.04711	0.4
79.04967	0.4
79.05487	0.6
81.03410	1.1
81.07027	0.7
83.04972	0.5
84.08125	0.4
84.59454	0.4
85.02901	5.1
86.09685	1.0
89.03908	1.8
91.05474	0.8
95.08585	0.6
97.02875	2.1
97.06529	0.7
105.07068	0.4
109.02882	1.0
109.10145	0.9
110.02325	0.5
111.04410	0.6
112.07581	1.4
117.03355	9.9
119.04945	0.5
123.04401	0.6
123.11682	0.4
127.03905	5.9
129.64995	0.4
134.03612	0.6
135.04424	0.6
137.05977	0.8
145.02832	46.4
146.03168	0.9
147.04391	1.8
149.05943	3.8
153.01898	1.0
155.15619	0.4
163.03856	1.1
167.07063	3.3
168.07382	2.2
171.02850	0.8
171.04544	0.5
177.05453	100.0
178.05865	2.1
186.05505	1.0
194.08873	0.5
215.07043	0.6
262.14362	81.7
263.14728	1.8
273.07468	0.8
292.70572	0.5
295.06097	0.4
299.05249	0.4
301.84546	0.4
310.04080	0.6
313.07254	1.0
379.11981	0.7
405.99292	0.4
425.07971	0.8
425.12848	0.6
425.82864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65936	0.2
53.03932	0.4
54.20713	0.2
54.49401	0.2
55.01885	0.4
55.05499	1.2
56.05029	0.4
57.03434	0.4
58.06595	0.2
60.07860	0.2
61.02932	0.4
63.02362	0.4
66.03643	0.2
67.05507	0.4
68.05031	0.7
69.03423	4.0
69.07065	0.4
70.06587	1.6
71.04991	0.4
71.24578	0.3
72.08150	4.5
72.08534	0.4
73.02907	0.4
74.06088	0.5
78.04711	0.2
79.05515	0.3
81.03419	1.2
81.07059	0.4
83.04963	0.5
83.08645	0.3
84.04496	1.0
84.08137	1.2
85.02905	2.3
86.06064	11.5
86.09706	0.8
87.04465	1.8
89.03912	4.7
89.10810	0.3
91.05471	1.4
93.07042	0.4
95.04973	0.8
95.08600	0.4
96.04435	0.3
97.02888	1.5
97.07639	0.2
98.06055	1.0
98.09716	0.4
98.20696	0.4
98.97569	0.3
99.04449	0.5
100.07604	0.2
100.73032	0.2
102.05533	0.5
103.03938	0.3
103.05477	0.6
104.07078	0.9
105.07025	0.6
107.04942	1.0
107.08598	0.4
109.02898	1.2
109.10149	0.5
110.02416	0.7
110.07145	0.4
111.04470	0.3
112.07555	0.4
114.10291	0.6
116.10656	0.3
116.98621	0.3
117.03369	16.7
117.07066	0.3
118.03694	0.4
119.04928	1.7
119.08619	0.2
120.08119	0.4
121.02879	0.3
121.06482	0.3
121.10114	0.6
123.04401	0.3
124.05228	0.2
124.07569	0.3
127.03905	3.1
128.04237	0.4
128.07028	1.0
129.10211	0.3
130.04993	0.7
131.04927	0.4
133.10136	0.5
134.03601	1.1
134.05980	0.2
135.04419	1.5
136.07573	0.2
137.06007	0.4
138.09135	0.3
139.11104	0.2
140.07193	0.3
142.08620	0.3
145.02837	49.0
146.03174	1.1
146.06010	0.5
146.08102	0.4
147.04402	6.9
148.04756	0.7
149.05971	6.3
149.07100	0.5
151.03847	0.4
151.11188	0.5
152.07059	0.6
157.06519	0.3
157.99974	0.3
158.06001	0.3
160.05194	0.4
161.05966	0.8
162.03186	0.4
162.05457	0.4
163.03896	1.0
167.06989	1.4
167.14276	0.6
168.07420	0.6
173.06007	0.4
177.05458	100.0
178.05812	2.6
181.06490	0.9
182.08051	0.3
186.05489	1.8
187.07497	0.2
193.08505	0.4
201.00621	0.3
203.07018	1.0
205.08836	0.2
209.05978	0.9
209.15373	2.4
211.07645	0.2
212.09093	0.5
213.09106	0.5
213.11043	0.4
215.07191	0.3
217.08521	0.4
218.11723	0.5
219.06366	0.3
229.17972	0.3
230.10213	3.9
235.14441	0.6
235.64375	0.3
241.08583	5.5
243.06506	0.2
244.09677	0.4
248.11223	1.7
251.13664	0.3
259.09631	2.8
261.12344	0.6
262.10480	0.5
262.12781	0.6
263.13947	0.3
265.08636	0.2
277.10684	0.5
280.11856	0.8
285.07565	0.3
302.04529	0.2
303.08725	0.3
303.13150	0.3
321.09976	0.4
388.14169	0.6
406.14987	1.7
423.70532	0.3
424.16327	2.3
425.18701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59217	1.1
53.03935	2.4
55.01865	1.8
55.05504	14.7
56.05021	4.5
57.03422	1.5
57.07063	7.1
60.04515	3.2
60.64654	1.2
65.03929	2.0
67.05503	22.7
69.03410	6.8
69.06709	1.9
69.07063	21.8
70.06582	16.7
71.04988	1.4
71.08611	1.6
71.62833	1.6
72.08161	7.9
73.02900	1.5
74.06059	7.6
79.05486	15.2
81.03394	2.7
81.07049	56.1
81.11663	1.1
83.04977	3.5
83.08622	10.3
84.04510	2.5
84.08125	4.4
84.88577	1.0
85.02900	6.4
85.06543	2.4
86.09695	80.9
87.00803	1.3
87.09492	1.7
87.10014	22.1
91.05464	17.4
93.07035	38.5
93.07620	2.0
94.58821	1.0
95.04978	6.3
95.08596	94.6
96.08932	1.9
97.02879	3.5
97.06529	6.0
97.10151	7.4
98.06046	2.5
99.04449	1.2
103.05531	1.2
105.07018	49.1
107.04942	2.9
107.08579	56.1
108.08870	1.1
109.02869	3.5
109.06512	4.4
109.10141	50.6
110.10497	1.0
111.04427	1.5
111.08073	4.2
111.11710	2.0
114.10260	2.3
116.07105	1.4
116.98642	1.4
117.03335	2.3
117.07003	7.9
118.06529	2.0
119.04930	2.5
119.08567	51.1
120.08092	10.5
120.08855	1.9
121.06487	1.7
121.08429	4.8
121.10133	44.5
123.04408	1.5
123.08040	3.3
123.11692	22.0
125.05952	1.6
125.09624	4.6
126.05495	3.8
127.03916	7.3
129.06996	4.3
131.08559	17.6
133.06528	1.6
133.09100	2.0
133.10112	35.0
135.08026	1.6
135.11678	27.4
137.05965	2.9
137.09625	2.4
137.13242	23.2
137.14232	2.1
139.11217	3.1
142.07745	2.1
143.08542	8.3
144.09340	2.8
145.02838	5.0
145.06465	1.3
145.10104	28.5
146.06018	2.1
146.10576	1.5
147.04384	4.3
147.11667	28.8
149.09645	3.2
149.13245	17.4
151.07533	5.0
151.11172	2.3
151.14842	3.7
155.08539	1.8
156.09201	1.5
156.17865	1.2
157.10126	11.7
158.10930	2.2
159.11673	34.2
160.12160	1.1
161.06032	2.2
161.09630	1.3
161.13234	26.4
162.13634	1.5
163.03928	2.3
163.07527	1.8
163.11191	2.4
163.14812	10.3
165.09053	2.1
165.12733	1.9
166.08641	2.8
167.07040	16.7
167.08490	1.7
167.08980	1.4
169.10083	2.2
171.11636	9.6
172.12445	1.5
173.09688	2.1
173.13228	21.5
175.11139	1.9
175.14819	24.9
177.05452	13.4
177.12730	3.5
177.16357	17.7
179.14276	3.3
179.17879	1.5
183.11676	4.1
185.13283	8.5
186.14050	1.4
187.14798	17.4
188.15356	1.4
189.16354	21.4
191.14296	1.9
191.17935	34.4
192.18352	1.8
193.08649	1.5
193.15889	4.7
195.11514	2.4
197.13301	2.8
199.14844	9.1
201.16348	16.1
203.14232	1.8
203.17931	21.0
205.08546	1.9
205.12201	1.3
205.15869	15.0
205.19496	7.0
207.17480	1.8
211.14787	1.7
213.16312	7.4
215.17952	22.9
217.15930	6.3
217.19460	11.0
219.17461	7.0
225.16345	2.9
227.17886	7.0
229.19449	6.2
231.17393	3.3
231.20966	6.8
233.18962	18.1
239.13974	7.5
239.17940	2.3
240.14215	9.6
241.19539	4.1
243.17421	3.0
243.21120	5.7
245.18936	8.4
245.22687	1.9
247.20502	1.4
253.19449	2.8
255.21147	4.9
257.18930	3.3
257.22562	2.8
259.20517	2.3
269.22595	8.3
271.20593	5.0
271.24072	1.8
273.22104	10.5
279.16861	2.5
280.17386	4.7
281.22672	1.2
283.24203	5.3
285.22235	6.5
287.23557	2.3
297.25760	2.3
299.23511	3.5
309.25504	1.3
311.14746	1.2
313.25229	2.0
327.26950	2.3
339.26865	1.7
361.19647	2.8
365.32095	1.6
379.15302	1.5
379.19958	1.7
405.35135	8.0
423.14563	2.5
423.36212	100.0
424.21091	1.8
424.36649	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05503	12.9
57.03410	2.3
57.07056	5.7
64.47070	1.3
65.03925	3.7
67.05170	2.0
67.05500	30.6
69.06715	1.7
69.07064	22.7
71.05000	2.3
71.62640	1.4
71.63049	2.1
79.05484	12.5
81.07053	50.7
81.79520	1.3
83.04970	1.3
83.08616	11.8
85.06529	4.1
91.05477	12.8
93.06465	1.9
93.07030	26.2
93.65023	1.3
95.04950	3.7
95.08599	68.1
96.08922	1.4
97.02894	1.5
97.06532	3.6
97.10146	4.7
105.07024	25.0
107.04970	1.8
107.08582	40.0
109.06519	6.1
109.10139	38.2
111.08033	3.2
111.11703	3.4
111.95794	1.3
117.06995	4.8
119.08568	28.3
121.02815	1.3
121.10128	34.3
123.04437	3.5
123.08080	13.1
123.11693	21.7
125.09620	2.9
129.07018	2.6
131.08525	10.2
133.06435	1.5
133.10121	26.3
135.08029	3.9
135.11688	19.5
137.05994	1.5
137.13228	13.1
139.11133	2.3
141.06984	1.5
143.08563	9.2
145.10112	18.8
147.11690	16.5
149.09662	1.7
149.13245	15.2
151.07520	3.5
151.11131	1.3
151.14790	4.8
155.08521	2.7
156.09340	1.9
157.10120	10.3
158.10838	2.1
159.11707	20.7
161.13255	21.7
163.07440	1.4
163.14827	15.6
165.12782	2.0
167.07024	46.2
168.07349	26.6
169.10130	5.3
171.11690	7.5
173.09450	1.6
173.11870	2.1
173.13222	13.1
175.14833	13.6
177.12691	1.3
177.16371	16.5
178.16693	1.5
179.14273	16.7
183.11678	6.4
185.13287	9.3
187.11151	1.7
187.14766	10.4
189.16350	15.4
191.10745	2.1
191.17926	8.1
197.13188	3.6
199.14807	6.5
201.16408	9.1
203.17941	10.6
205.15906	2.9
205.19495	1.8
207.17268	1.4
211.09573	2.0
211.14847	2.8
213.16397	8.0
215.07037	1.8
215.17975	10.1
217.15913	1.7
217.19505	7.1
219.17459	2.5
225.16426	2.6
227.18001	8.1
229.19498	6.1
233.18961	2.9
239.17894	2.1
241.19444	4.7
243.21094	4.7
245.18932	9.9
253.19456	3.8
255.21089	8.9
267.20999	3.9
268.00238	2.1
268.99438	6.1
269.22595	8.6
271.20538	9.5
271.23111	1.6
273.22061	11.1
281.22577	5.6
283.24194	3.2
285.22092	3.8
287.23724	2.7
295.24030	2.6
305.07919	2.0
311.27234	3.5
331.26413	7.4
334.08490	3.0
335.27094	1.8
337.10684	5.9
348.09647	2.0
349.10675	9.4
349.28128	1.7
351.30524	3.7
355.11517	2.1
363.12292	2.9
405.12476	3.2
405.17511	11.5
405.35190	16.7
406.17661	2.0
423.09875	1.8
423.17682	4.8
423.31055	25.6
423.36179	100.0
424.31070	4.4
424.36536	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	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.05504	15.1
57.03419	3.6
57.07061	11.5
58.06578	1.3
62.25891	1.2
64.06117	1.3
67.05497	26.6
69.07067	25.2
70.04051	3.9
70.06575	3.5
70.50990	1.3
71.04960	2.5
71.08620	3.0
71.61652	2.5
79.05484	17.7
81.07053	62.5
82.07413	1.6
82.56221	1.4
83.04964	3.5
83.08604	13.3
85.06524	2.3
88.07612	4.1
91.03616	1.4
91.05476	13.8
93.07042	36.7
95.04928	3.2
95.08599	100.0
96.08975	1.9
97.06535	8.1
97.10150	4.7
99.08076	3.4
105.07024	30.4
107.04945	2.7
107.08586	42.0
109.06507	7.0
109.10149	41.3
110.10407	1.4
111.08046	3.0
111.11705	3.6
113.09576	1.7
117.06997	6.5
119.08575	51.2
121.09315	2.5
121.10136	37.0
122.10502	1.5
123.04404	3.9
123.08076	10.6
123.11689	21.7
125.05965	1.8
125.09589	4.0
129.06956	3.4
131.08560	21.5
133.10121	36.6
135.08084	3.3
135.11690	23.9
137.09576	4.1
137.13243	40.3
139.11162	14.9
143.08560	8.6
145.10118	27.7
147.08109	2.0
147.11691	26.3
149.02301	11.0
149.12151	2.8
149.13248	28.8
150.02678	4.4
150.27040	1.5
151.14803	3.2
155.08533	2.9
156.09335	1.5
157.10085	10.8
159.08025	2.1
159.11676	34.1
160.12218	1.8
161.13234	26.8
163.07614	2.0
163.11166	6.5
163.14812	11.6
165.09138	1.8
165.12724	2.5
167.14284	1.8
169.10164	3.8
171.11658	11.0
172.12378	1.8
173.13258	15.9
175.14815	29.7
177.12767	2.4
177.16373	19.6
178.08591	2.3
179.14307	12.4
179.17836	1.6
181.06569	1.7
183.11656	4.6
184.07196	3.5
185.13223	6.0
187.14816	16.2
189.12793	1.6
189.16376	20.5
190.03516	1.7
191.14276	4.0
191.17967	20.2
193.04932	10.3
193.15823	2.4
194.05301	5.9
197.13272	2.8
199.14804	9.4
201.16376	20.3
203.06885	1.6
203.14354	3.9
203.17892	20.2
205.15857	7.6
205.19537	3.6
211.14815	4.0
213.16396	10.1
215.10707	1.8
215.17957	39.0
217.15881	5.2
217.19536	7.1
219.17374	11.1
219.20987	2.9
223.15057	1.7
225.00467	1.8
225.16351	6.0
227.17911	10.1
229.19473	4.8
231.17374	5.0
231.20895	2.8
233.18991	6.0
239.17880	2.7
241.19493	3.1
243.17503	3.3
243.21022	3.4
245.18976	11.3
245.22697	2.1
251.00232	4.4
252.00571	8.2
252.99944	21.5
253.19482	2.7
255.21199	7.1
256.26346	1.9
257.19086	3.4
257.22629	4.3
257.26648	6.3
259.20630	1.9
267.21213	3.8
269.22580	4.4
271.20529	4.6
271.24057	3.1
273.21964	7.7
281.22641	2.7
285.22049	5.4
285.25443	2.4
287.23749	1.8
292.26318	1.9
295.06030	2.0
299.23596	4.9
299.26810	1.5
307.05911	1.8
313.25049	1.7
319.09372	2.0
325.07028	2.7
331.26245	5.3
337.10675	11.0
349.03165	2.2
349.10495	7.7
350.02795	4.6
351.11801	2.0
353.09760	1.8
353.28638	1.9
355.11554	5.1
365.32004	2.8
367.08078	2.0
405.16895	9.9
405.35132	21.7
406.35068	2.6
423.06894	3.3
423.14221	8.3
423.23416	27.0
423.29984	34.2
423.36172	68.6
424.06412	9.9
424.21393	3.2
424.36188	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.01855	1.4
55.05512	10.9
57.03422	2.0
57.07062	5.6
58.06576	1.1
59.04987	3.1
65.03920	1.6
67.05162	1.7
67.05500	22.2
69.03413	2.0
69.07057	19.6
70.06582	1.4
70.94698	3.6
71.05000	2.6
71.08609	3.1
71.20063	1.1
79.05486	12.4
81.07050	29.2
83.04960	1.3
83.08614	10.0
85.06544	1.2
85.79959	1.1
86.30021	1.3
91.05473	10.5
93.07036	23.2
95.04951	5.0
95.08596	45.1
97.02896	3.7
97.06516	3.0
97.10149	5.5
99.04430	2.8
99.08073	2.1
103.05449	1.6
105.07018	19.2
107.04958	2.7
107.08585	31.1
108.08925	1.8
109.02870	1.2
109.06520	8.2
109.10147	30.8
111.08072	3.0
111.11675	2.2
115.96951	1.1
116.93890	1.2
117.07020	5.7
119.04940	2.8
119.08577	27.8
121.02858	3.5
121.10134	27.0
123.04415	48.1
123.08061	16.0
123.11701	15.9
125.05999	2.9
125.09590	1.6
127.03954	2.3
129.07082	2.8
131.08562	6.6
133.10117	27.4
135.08038	7.7
135.11681	17.6
137.09619	2.9
137.13234	5.3
140.26883	1.3
143.08548	2.7
144.09326	1.4
145.06508	1.1
145.10115	14.2
146.10472	1.2
147.04333	1.3
147.08075	1.0
147.11670	15.7
149.09613	3.2
149.13248	12.7
151.11200	1.6
151.14812	1.2
155.08534	1.5
157.06570	1.5
157.10187	2.9
159.07973	1.3
159.11681	11.8
161.09673	1.9
161.13254	14.8
163.14793	6.4
165.12796	1.8
169.10045	2.1
171.08047	2.2
171.11696	4.9
173.11877	1.8
173.13222	8.0
175.07507	1.6
175.14803	7.3
177.01796	1.4
177.12788	3.1
177.16402	6.3
179.14302	23.1
183.11703	2.4
185.05975	1.5
185.13225	3.9
187.07500	1.6
187.14813	6.3
189.09077	1.3
189.16348	12.0
189.17720	1.4
191.03329	1.4
191.17853	7.6
193.15869	1.8
195.02872	6.7
197.13229	2.8
199.14841	3.5
201.12730	1.5
201.16331	6.7
203.03400	4.1
203.07002	4.9
203.14369	1.4
203.17921	18.5
204.18213	1.4
205.15816	2.5
205.19540	6.4
207.13811	1.2
211.14854	2.5
213.05627	1.3
213.16388	4.3
215.17911	7.7
217.19482	6.6
219.17451	4.2
223.14795	1.6
227.06966	1.4
229.19467	2.4
231.06456	2.5
233.18968	4.4
239.17934	1.5
241.19518	1.7
243.21082	3.5
245.08072	24.9
253.19550	1.4
255.06528	1.2
255.21094	1.9
257.08093	1.5
267.21021	1.8
268.00220	1.6
268.99521	2.2
269.22583	3.3
273.22308	1.5
275.10501	1.5
275.20193	1.6
278.05817	1.6
283.06061	2.6
285.22202	1.5
287.23886	1.4
293.08176	1.5
295.05988	74.4
296.06320	8.5
303.10217	3.5
306.08786	1.3
307.06165	1.3
307.09708	1.9
309.07468	5.0
309.25772	1.4
313.25256	1.7
321.11127	2.8
331.09583	14.5
331.26337	10.1
337.11002	1.4
349.10645	47.3
349.27438	3.4
350.11069	5.4
363.12372	4.4
367.11725	22.9
368.11862	2.8
379.15515	2.0
405.16757	6.0
405.35611	7.0
423.18008	100.0
423.31104	41.3
423.36276	38.7
424.17981	13.8
424.31351	4.4
424.36670	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
54.20251	3.3
55.05507	18.2
57.07052	12.1
60.85320	3.4
67.05506	20.1
69.07067	27.7
69.59467	20.0
71.08636	4.1
79.05499	8.1
81.07055	44.4
83.08607	13.9
85.06513	4.2
86.43906	3.2
91.05471	12.3
93.07035	23.2
95.04929	3.8
95.08049	5.8
95.08602	80.3
97.10162	6.0
99.04449	7.0
105.07014	23.8
107.08589	52.2
109.06554	4.8
109.10139	49.1
117.07011	5.3
119.08592	44.2
121.10138	40.7
123.08076	6.6
123.11692	20.4
129.06996	5.7
131.08559	10.6
133.10127	23.5
135.11700	26.3
137.13237	15.3
143.08493	7.2
145.10092	17.9
147.11714	19.8
149.13258	18.3
157.10107	9.7
159.11673	15.1
161.13231	14.9
163.14815	9.8
168.63573	4.2
169.03416	3.6
169.10110	3.3
171.11693	9.5
173.13298	17.3
175.14841	22.1
177.16469	7.6
179.14291	14.9
185.13338	5.6
187.14816	11.0
189.16425	11.2
191.17915	14.8
199.14818	5.5
201.16431	13.6
203.17897	4.9
205.19583	5.7
211.14651	6.3
213.16428	11.8
215.17891	7.4
217.19490	5.8
227.18007	5.2
229.19458	12.4
231.21049	10.8
241.19493	7.9
243.20990	7.4
257.22638	4.7
267.21005	8.8
269.22638	5.6
271.24326	4.5
281.22549	3.6
283.24161	5.2
297.25525	3.7
331.26315	5.1
405.35107	48.4
406.35193	4.9
423.31229	12.7
423.36200	100.0
424.36600	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
55.01874	1.4
55.05291	1.3
55.05513	12.6
55.82473	1.5
57.03431	1.6
57.07062	6.0
58.85900	1.4
67.05500	25.5
69.03409	3.0
69.07063	22.0
71.04986	1.9
71.08611	2.2
71.63300	1.9
71.63704	1.7
79.05490	14.3
81.03416	3.7
81.07054	48.6
83.08607	8.4
85.06544	2.1
91.05461	12.8
91.66811	1.3
93.07034	28.7
95.04968	2.7
95.08601	73.7
95.12255	1.3
97.02871	1.9
97.06544	2.2
97.10130	5.1
105.07030	24.0
107.08594	36.7
109.06515	5.6
109.10147	45.9
111.04416	1.7
111.08089	3.5
117.07003	5.6
119.07785	2.3
119.08578	30.7
120.08974	1.6
121.06511	1.7
121.10133	31.5
123.08070	11.5
123.11687	18.9
125.09645	4.4
129.07001	2.1
131.08562	10.8
131.60385	1.5
133.10103	22.0
135.08035	3.3
135.11697	20.8
137.09634	2.4
137.13249	11.1
143.08559	8.1
144.09329	2.6
145.10106	22.7
147.11691	18.6
149.09630	2.0
149.13263	14.9
151.14804	4.4
156.09325	1.6
157.10112	9.1
159.11688	24.4
159.93486	1.4
161.13257	15.6
163.14862	6.9
165.12723	2.1
169.10075	3.2
170.10883	1.6
171.11676	10.1
173.13274	11.7
175.14848	8.0
177.12671	1.5
177.16393	8.8
179.14267	13.6
179.17834	1.8
183.11696	3.2
185.13261	6.8
187.14856	13.4
189.16399	14.8
191.17926	10.3
193.12299	1.5
193.15962	1.9
197.13251	3.1
199.14784	6.2
201.16376	12.7
203.14304	2.0
203.17932	14.1
205.15921	2.1
207.17499	2.6
209.13420	1.5
211.14865	2.1
213.16330	7.1
215.14256	2.1
215.17921	11.9
217.19516	6.8
219.17419	2.2
225.16403	3.3
227.17928	4.6
229.19540	5.5
231.17542	2.8
233.18929	2.5
241.19484	4.7
243.21109	3.0
245.19037	6.5
251.96175	1.5
253.19356	2.3
255.21085	9.2
257.22461	3.0
259.20520	3.2
267.21161	2.4
269.22632	5.0
271.20563	6.2
273.22052	8.9
275.20270	1.8
283.24243	1.9
285.18921	1.5
285.22101	4.9
285.25610	2.2
295.24246	2.1
299.08093	1.7
311.05505	3.1
331.26248	5.6
349.27774	2.4
353.28555	1.8
365.32111	2.0
367.11337	5.1
367.29562	1.9
405.35654	9.9
423.18069	1.8
423.31195	29.4
423.36179	100.0
424.31161	3.1
424.36414	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.7
57.07070	7.4
59.04979	1.9
65.03929	2.3
67.05501	22.4
69.06726	1.4
69.07063	18.3
69.95225	7.7
70.38166	1.4
71.08616	1.8
79.05483	11.7
81.07052	39.6
83.04979	3.9
83.08606	11.3
85.06534	2.6
91.05466	15.4
93.07042	27.5
95.04948	1.8
95.08597	65.9
97.06486	1.6
97.10182	8.3
99.08070	3.0
105.07028	34.3
105.73675	1.3
107.08586	49.2
107.09287	3.0
109.06502	6.3
109.10147	46.9
111.08077	6.8
117.07027	3.9
119.08569	44.7
120.08968	2.0
121.10127	41.1
122.10399	1.5
123.08060	14.2
123.11688	22.7
125.09631	7.3
131.08568	8.6
133.10126	39.9
135.08025	4.4
135.11688	32.5
137.02339	16.1
137.09584	3.0
137.13217	10.7
143.08560	3.3
145.10121	19.6
147.10516	2.2
147.11662	33.0
149.09567	1.8
149.13229	21.8
151.11122	3.2
151.14862	2.7
154.35811	1.3
157.10114	6.0
159.11685	21.1
160.12355	1.7
161.13248	21.7
163.14810	11.9
169.10146	1.9
171.11688	6.5
173.09726	1.4
173.13246	10.3
175.14790	13.5
177.12846	1.9
177.16342	10.3
179.14311	19.4
183.11638	2.5
185.13252	4.4
187.14783	10.1
189.16360	21.3
191.14325	2.1
191.17923	15.9
193.16150	1.3
195.11653	1.6
197.13286	2.9
199.14795	4.2
201.16322	12.7
203.16010	2.5
203.17929	42.4
205.15884	4.5
205.19493	5.7
211.14699	1.6
213.16373	3.7
215.17932	10.2
217.19482	16.9
219.17433	13.1
225.16382	3.3
227.17972	4.1
229.19510	4.1
231.17555	1.5
231.21066	2.7
233.18965	4.4
239.17975	2.4
240.34207	1.4
241.19452	3.2
243.21057	4.1
245.18906	2.1
245.22578	2.1
247.20528	1.6
249.12653	1.5
255.20988	2.5
257.22607	2.1
259.20346	2.2
261.22006	2.1
269.22687	4.6
271.20386	1.9
271.24237	2.2
273.22177	3.0
281.22681	1.9
285.22122	3.5
287.23639	2.6
295.05972	3.2
313.25195	3.3
321.25946	1.7
327.26755	1.5
331.09509	5.0
331.22757	1.3
331.26163	8.5
332.09662	1.6
335.27451	1.9
337.28775	2.2
349.10754	9.2
349.27197	2.3
353.28278	2.1
405.16260	4.3
405.30563	2.9
405.35220	19.4
406.35309	2.3
423.18127	17.4
423.31021	35.3
423.36194	100.0
424.18091	3.9
424.31400	4.4
424.36542	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05511	15.7
57.07072	12.5
60.04516	2.8
65.03928	2.1
67.05502	28.4
69.07068	27.6
70.06587	6.4
71.02544	4.1
71.04985	2.9
71.08635	4.0
73.72338	1.4
73.82381	1.4
79.05486	16.1
81.07054	63.9
83.05000	3.5
83.08601	11.0
85.06540	2.4
88.07626	5.6
91.05474	12.1
93.07034	33.6
94.76023	1.3
95.04955	5.0
95.08604	100.0
97.06550	6.8
97.10165	5.8
99.08096	3.2
99.99474	1.5
102.09170	3.0
103.09501	1.7
105.07029	32.9
107.04943	2.2
107.08593	49.6
109.06503	6.4
109.10151	49.0
109.10899	2.0
110.10510	2.2
111.08083	4.6
113.09686	1.7
115.05394	1.9
117.07024	6.6
119.08578	51.5
120.08905	2.5
121.02825	1.4
121.06478	1.3
121.10139	41.5
123.04464	3.9
123.08102	11.2
123.11684	21.0
125.09644	3.6
127.11128	1.8
129.06992	6.4
131.08577	17.6
133.10132	27.9
135.08101	2.9
135.11679	26.5
137.02367	2.9
137.05995	1.4
137.09639	3.0
137.13246	45.4
139.11192	17.9
142.07799	2.3
143.08513	7.4
144.09367	1.6
145.10126	24.9
147.08002	3.4
147.11684	26.6
149.02339	17.4
149.05933	1.9
149.09601	2.1
149.13254	26.5
150.02695	8.2
151.07414	1.6
151.11107	1.6
151.14868	4.2
156.09383	2.6
157.10110	9.4
159.08083	1.9
159.11685	31.3
161.13251	25.6
163.11211	4.0
163.14841	8.3
165.12788	2.9
167.07065	3.1
169.10127	3.5
171.11588	7.8
173.11864	2.9
173.13266	18.3
175.07449	1.5
175.13324	1.4
175.14836	28.8
176.15366	1.7
177.12741	4.4
177.16388	23.7
179.14301	8.7
179.17952	2.3
183.11757	4.3
185.05983	1.7
185.13243	8.1
187.14818	15.7
189.05466	2.1
189.16391	18.8
191.14285	3.8
191.17940	20.6
193.04976	18.9
193.15891	1.5
194.05292	14.3
197.13287	3.9
199.14838	8.8
201.16397	21.2
203.14290	1.7
203.17953	18.8
205.15889	7.0
205.19501	3.8
211.14838	4.5
213.16389	7.5
215.17946	48.9
216.18365	2.0
217.15900	6.4
217.19527	9.4
219.17476	10.3
219.21013	3.3
220.09688	2.4
221.11699	2.9
225.16414	4.9
227.17940	10.9
229.19487	4.8
231.17416	3.0
233.19037	6.6
237.16330	1.6
239.17944	2.1
241.19505	3.2
243.17487	2.0
243.21063	2.2
245.19011	15.1
245.22661	2.4
253.19421	3.0
255.21159	7.4
256.26389	5.8
257.18961	2.5
257.22681	4.1
257.26727	7.9
259.20496	2.9
266.99805	2.1
267.20999	4.1
268.00128	4.1
268.99481	11.8
269.22626	7.1
271.20581	4.7
271.24084	3.5
273.22116	9.1
281.22488	1.9
285.22186	7.7
285.25299	2.4
287.23715	1.5
292.26346	3.5
295.05997	2.1
299.23682	6.1
331.26346	5.7
334.08282	2.7
339.12112	2.2
354.03983	1.7
355.03046	2.2
363.08463	3.8
363.12473	2.7
365.32175	4.8
381.31656	2.0
387.12244	4.5
405.13156	18.4
405.30481	2.0
405.35236	20.6
406.13504	2.4
406.35583	2.5
423.06241	2.3
423.14215	10.6
423.29901	41.7
423.36246	75.9
424.06042	2.8
424.14951	2.6
424.21124	4.1
424.36093	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
54.78467	1.4
55.01869	1.7
55.05499	9.8
57.03423	1.5
57.07062	7.3
67.05508	16.5
69.03433	2.4
69.06712	2.0
69.07061	22.1
70.16132	7.5
71.08616	2.9
79.05486	11.6
81.03413	3.2
81.07053	43.7
82.07355	1.3
83.04969	2.0
83.08617	11.1
85.02928	1.5
85.06531	2.9
91.05467	11.6
93.07040	20.9
95.04958	4.4
95.08600	64.2
96.47223	1.3
97.06532	2.3
97.10162	3.3
105.07024	25.1
106.42774	1.2
107.04930	2.2
107.08588	42.7
109.02896	2.2
109.06522	5.6
109.10148	34.6
110.10524	2.1
111.04366	2.0
111.11720	3.8
117.07019	2.9
119.08573	29.3
121.02845	4.5
121.06513	1.9
121.10136	29.3
123.04417	8.3
123.08046	8.5
123.11701	21.9
127.03900	4.1
129.06996	3.1
131.08578	9.9
133.10129	23.0
135.04404	2.0
135.08038	4.3
135.11690	22.5
137.02338	19.3
137.05937	2.2
137.09637	1.8
137.13269	9.0
139.11163	2.2
142.07813	1.7
143.08556	5.9
145.10124	16.7
147.04430	2.1
147.11688	21.1
149.06050	2.5
149.09612	2.5
149.13245	15.7
151.11232	2.5
151.14847	5.2
155.08595	3.2
157.10106	10.7
159.11676	17.2
161.13257	16.2
162.96516	1.4
163.07594	1.8
163.14815	22.1
165.09134	1.7
165.12830	2.6
167.07034	4.3
167.10886	1.4
169.10149	4.6
171.11671	7.9
173.13252	16.2
175.14798	14.5
177.12680	2.2
177.16396	18.2
179.14301	11.6
179.17953	2.5
183.11752	4.0
185.13240	8.6
187.07585	2.3
187.14774	11.5
189.16391	16.1
189.50522	1.5
191.03418	2.0
191.17972	6.1
196.12476	1.6
197.13293	4.2
199.14783	8.6
201.16382	10.6
203.14333	1.8
203.17961	10.5
205.08466	1.5
205.16026	2.3
205.19571	1.5
211.14888	3.6
213.16409	5.8
215.03358	9.7
215.17963	10.9
217.19505	5.4
219.17508	3.1
223.14824	2.6
225.16373	1.7
227.17894	7.3
229.19513	8.8
233.04439	4.6
233.18950	3.6
239.18140	2.2
241.19528	7.0
243.10201	2.1
243.21150	5.9
245.18980	7.5
245.22630	2.4
247.20644	2.3
252.99921	3.8
253.19485	1.7
254.00311	4.6
254.99690	2.8
255.21054	10.0
257.22592	1.9
259.20798	1.7
267.21091	3.8
269.22644	8.0
271.20551	7.4
271.23932	1.7
273.22189	6.4
281.07962	2.2
281.22604	3.5
283.24249	3.2
285.22241	6.2
285.25821	1.4
287.23682	3.0
295.06110	4.4
295.24075	3.3
299.23712	2.5
305.07990	5.0
307.06088	2.2
309.07541	69.8
309.25809	2.6
310.07816	7.8
311.27405	2.4
317.11780	1.6
320.06601	1.8
321.07574	8.2
321.10892	1.7
323.09146	3.1
325.07037	3.9
331.26425	2.4
333.07556	47.1
334.08093	9.6
335.27182	1.8
339.26584	1.7
345.07578	4.3
347.09036	14.6
348.09604	3.1
349.10690	6.5
351.30399	2.1
353.10147	2.8
363.12222	15.8
364.12546	2.5
367.07986	2.4
367.30023	2.3
369.11349	2.0
371.09335	1.8
381.13297	47.7
382.13672	6.6
387.12146	14.4
387.28888	2.2
388.12628	3.7
405.13205	100.0
405.30371	2.7
405.35059	18.0
406.13605	16.5
406.17719	1.6
423.13519	8.8
423.22540	14.6
423.31223	21.0
423.36301	88.1
424.08676	2.1
424.14734	2.1
424.21866	3.9
424.36877	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00212	1.5
50.93097	1.4
55.05503	8.4
55.28536	1.5
57.02962	1.5
57.07062	4.0
58.10303	1.7
67.05499	14.5
69.07065	17.1
71.08620	2.1
71.62770	3.2
71.67628	1.5
76.27061	1.6
79.05489	8.5
81.07056	28.7
83.04998	1.9
83.08610	5.8
91.05458	6.4
93.07042	20.2
94.69997	1.4
95.04952	1.8
95.08603	56.7
96.08949	1.8
97.06528	2.1
97.10168	3.8
105.07034	15.7
107.07864	2.1
107.08589	35.9
108.08912	1.4
109.06533	2.3
109.10151	37.2
111.11702	5.1
117.07071	1.5
119.08572	26.8
121.10142	33.3
123.08090	3.9
123.11713	18.4
125.09643	3.0
131.08548	6.2
133.10139	19.8
135.08047	2.5
135.11684	19.4
137.09604	2.0
137.13263	9.9
143.08560	1.9
145.10126	11.3
147.11693	15.8
149.09579	2.5
149.13261	12.9
151.14868	2.4
157.10092	4.9
159.11679	14.0
160.12462	1.6
161.13261	12.9
163.11176	7.1
163.14848	6.5
171.11638	5.6
173.13290	9.3
175.14815	9.8
177.12752	2.7
177.16347	8.1
179.14297	3.0
185.13277	2.4
187.14810	5.7
189.12752	2.1
189.14836	2.0
189.16344	11.2
191.14375	1.7
191.17963	8.9
197.13284	2.2
199.14870	2.9
201.16371	6.5
203.17976	9.9
205.15895	6.2
205.19572	5.4
211.14813	2.6
213.16380	3.0
215.17953	4.3
217.15874	3.1
217.19502	10.2
219.17400	6.1
225.16370	2.9
227.17932	3.4
229.19438	3.7
231.17511	4.4
231.21162	5.4
239.18045	1.8
241.19452	3.2
243.21190	2.6
245.19020	4.0
245.22675	4.0
247.20667	2.1
255.21120	2.8
259.20566	4.6
262.54675	1.6
267.21066	2.1
269.22574	3.5
271.20956	1.8
271.24084	4.4
273.22073	1.7
283.24265	2.4
285.22113	4.7
299.23685	2.3
309.25851	2.2
313.25391	3.6
335.36081	1.8
405.35175	15.9
423.31482	5.1
423.36200	100.0
424.36523	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	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
53.45108	1.8
55.05505	14.5
57.03415	3.4
57.07060	7.9
59.04997	1.9
65.03935	2.2
67.05160	2.7
67.05499	32.0
68.05818	2.3
69.03400	4.3
69.06713	3.2
69.07062	38.4
69.64774	14.9
71.04988	4.2
71.08626	4.2
71.37503	1.9
79.05484	19.9
81.03406	3.9
81.07053	55.6
83.04952	3.1
83.08606	15.8
85.02905	3.0
85.06530	3.1
90.91213	2.1
91.05467	24.2
93.07036	45.2
95.04958	5.7
95.08601	80.2
96.08943	3.5
97.02853	3.0
97.06508	5.3
97.10175	10.0
99.08081	4.3
105.07026	43.1
107.04938	2.4
107.08585	63.6
109.06516	11.1
109.09457	3.8
109.10149	54.4
110.10504	2.4
111.08059	5.7
111.11721	4.3
117.06976	8.7
119.07774	3.5
119.08576	42.1
121.06505	4.1
121.10134	52.2
123.08041	27.5
123.11706	21.9
129.06985	3.5
131.08577	16.4
133.10112	39.8
135.08086	4.6
135.11684	38.0
137.09578	4.0
137.13229	13.1
143.08537	7.7
144.09247	2.4
145.10107	26.2
147.11678	30.9
149.09607	5.6
149.13261	19.9
151.11169	2.9
151.14775	4.2
156.09349	2.4
157.10106	11.4
159.11679	34.2
161.13242	23.9
163.11125	4.7
163.14818	16.8
165.12755	2.2
169.10112	5.2
171.11705	11.4
173.13281	23.0
175.14790	16.8
177.12778	7.8
177.16385	16.0
179.14313	34.1
183.11681	5.2
185.13271	10.5
187.14833	14.8
189.12675	3.5
189.16383	26.8
191.17928	21.1
193.15785	3.3
197.13301	4.5
199.14774	8.7
201.12711	2.3
201.16425	12.5
203.17966	15.5
205.15810	4.3
205.19524	2.5
207.17389	5.8
211.14883	4.0
213.16339	8.1
215.17929	15.3
217.15881	4.6
217.19489	12.8
219.17366	17.5
225.16313	2.5
227.17944	10.2
229.19456	10.8
231.17461	4.4
231.20967	2.2
233.19014	15.5
240.52936	2.0
241.19588	5.5
243.21024	13.4
245.22632	7.1
247.20541	4.2
250.82910	2.4
255.20886	5.1
257.22620	6.7
261.22015	5.5
267.20993	4.2
269.22577	19.4
275.20087	2.4
281.22678	3.8
283.24121	5.9
285.22101	4.2
293.20834	2.5
299.23624	2.6
303.26569	3.4
309.25534	3.8
313.25098	2.7
331.23242	2.2
331.26398	19.7
349.27557	4.0
363.30276	3.0
369.24396	2.6
369.86429	2.1
387.25143	3.6
405.26324	2.9
405.35300	20.7
423.31210	55.2
423.36154	100.0
424.31488	6.9
424.36615	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	423.3618
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05495	19.3
60.60435	17.9
67.05490	50.2
69.07055	26.0
71.59164	39.1
79.05475	20.6
81.07050	54.1
88.42844	14.9
93.07013	46.1
95.08587	95.8
105.06987	38.7
107.08590	89.7
109.10149	64.8
119.08556	25.7
121.10106	43.2
123.11684	36.4
129.87186	17.3
133.10139	34.0
135.11711	37.4
147.11653	39.4
149.13232	31.6
163.14877	20.9
173.42772	16.9
177.16380	23.6
183.17700	15.0
187.14729	22.5
191.17969	36.3
195.89102	14.8
201.16374	20.7
203.17894	16.7
205.19569	25.6
207.22542	15.5
215.17868	21.9
218.75278	18.0
334.91074	16.9
405.34863	28.2
423.36517	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	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.05502	15.3
57.07066	6.6
64.05882	1.6
65.03931	2.0
66.00605	1.6
67.05497	26.2
69.03391	3.0
69.07061	24.2
70.06580	7.2
70.20918	8.9
71.04972	2.4
79.05493	16.8
81.07047	68.4
83.04977	3.2
83.08604	9.8
85.02919	1.9
85.06508	3.5
85.55048	1.6
87.15065	1.6
89.97882	2.0
91.05476	13.0
93.07036	38.4
95.04975	5.1
95.08595	95.1
96.08910	2.8
97.02876	4.2
97.06521	7.6
97.10144	6.2
105.07016	47.2
107.08588	55.5
109.06524	4.2
109.10149	50.4
111.04425	1.7
111.08067	4.4
117.07023	6.5
119.04917	1.8
119.08562	47.4
120.08096	4.0
121.06490	2.1
121.10129	40.6
123.04391	3.0
123.08083	2.9
123.11706	21.1
125.09595	4.1
127.11169	2.3
131.08534	18.6
133.10136	28.6
135.08093	2.2
135.11682	26.7
137.05946	2.7
137.09567	2.4
137.13242	23.1
143.08572	5.2
145.02873	1.9
145.10112	25.9
147.04480	2.4
147.11673	27.2
149.09654	3.7
149.13249	19.2
151.07545	2.8
155.08530	2.1
157.10162	10.9
159.11674	33.6
161.13242	23.1
162.13634	2.6
163.14836	7.4
165.12801	3.7
167.07027	15.2
171.11736	7.0
173.05917	2.9
173.13232	20.8
175.14816	21.4
177.05447	4.3
177.16371	19.8
178.16620	1.9
179.14348	4.0
185.13243	8.6
185.14740	2.1
187.13391	2.4
187.14781	12.2
189.16360	19.2
191.17938	27.6
192.18332	2.1
193.08592	2.7
193.15950	5.0
197.13242	2.6
199.14854	7.8
201.14777	2.7
201.16402	14.2
203.14262	3.7
203.17921	20.8
205.15883	13.4
205.19559	8.0
207.17429	2.5
211.14842	2.9
213.16396	6.8
215.17899	26.3
217.15936	5.3
217.19470	8.3
219.17444	9.0
225.16252	2.0
227.17932	6.9
229.19537	5.7
231.17421	4.3
231.21144	4.9
233.18983	16.9
243.10275	3.2
243.17342	3.3
243.21129	6.4
245.19060	8.2
245.22585	3.0
253.19444	3.0
255.21103	5.0
257.22659	4.3
259.20584	4.4
261.11136	3.8
269.22668	7.4
271.20602	8.2
273.22122	10.2
281.22638	3.0
283.24179	6.5
285.22180	6.7
287.23410	3.6
297.25681	2.8
299.23801	6.0
339.26538	2.3
379.15338	3.9
387.25470	2.5
400.01016	1.9
405.26614	3.5
405.35117	10.8
423.14569	2.8
423.36240	100.0
424.15771	2.0
424.21097	10.7
424.36740	8.5
440.98019	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16369	1.0
53.03925	1.9
53.84673	1.1
55.01868	2.2
55.05504	15.5
57.03424	2.5
57.07079	6.3
61.66544	1.1
62.72709	1.2
65.03927	1.6
67.05164	2.2
67.05499	33.6
69.03410	5.2
69.07063	21.6
70.83149	1.5
70.83488	2.9
71.04977	2.5
71.08617	5.0
79.05055	1.6
79.05484	20.2
81.03410	11.7
81.07049	47.3
83.04939	3.9
83.08614	8.7
84.08112	1.1
85.02886	4.8
85.06532	2.5
91.05467	19.5
93.07037	37.8
95.04952	5.4
95.08598	47.7
96.08907	1.5
97.02892	2.6
97.06514	5.2
97.10144	5.3
99.04427	1.6
99.08072	2.8
103.03916	1.7
105.07019	30.8
107.04962	3.8
107.08585	36.7
108.08904	1.4
109.02871	10.6
109.06509	11.7
109.10141	30.7
111.00814	1.3
111.08087	7.0
111.11700	2.4
117.06973	6.0
119.08569	30.5
120.08905	1.8
121.06490	2.0
121.09303	2.2
121.10136	33.4
123.04420	1.3
123.08064	20.7
123.11679	13.4
125.09588	2.0
129.06958	4.1
131.08551	13.2
133.10121	24.2
135.04372	2.8
135.08081	7.2
135.11687	20.3
137.09605	2.6
137.13219	5.4
139.11160	1.7
141.06985	1.8
142.07762	1.9
143.08502	6.0
145.06491	2.0
145.10117	16.7
147.08008	1.9
147.11681	22.7
149.09612	3.6
149.13242	17.6
151.11165	1.9
151.14738	1.6
155.08575	2.8
157.10065	8.6
159.11687	21.1
161.09669	1.7
161.13245	15.3
163.11157	3.2
163.14790	10.1
165.12744	2.6
167.14249	2.5
169.10091	3.9
171.11688	9.9
173.09674	1.5
173.13245	17.0
175.11189	1.6
175.14783	10.4
177.01825	8.1
177.12764	4.2
177.16354	9.6
179.14304	37.3
180.14667	1.5
183.11661	4.6
185.13246	6.2
187.14763	10.0
189.12740	1.4
189.16338	11.3
191.14301	1.3
191.17885	5.7
195.02876	44.0
196.03242	2.2
197.13223	3.5
199.14757	7.7
201.12727	1.5
201.16370	7.0
203.17926	8.6
205.15865	1.9
207.08458	1.2
209.13283	1.5
211.03793	2.1
211.14812	1.8
213.12881	1.4
213.16531	2.4
215.14394	2.4
215.17940	6.1
217.15886	1.4
217.19466	5.7
219.17404	2.0
227.17847	4.0
229.19504	5.4
233.15318	1.5
233.18997	2.5
237.05435	1.3
237.16234	1.3
241.19487	3.7
243.21106	7.1
245.18967	1.8
247.20599	2.3
251.06921	1.3
253.19476	1.5
255.21062	2.2
257.22574	1.5
259.20547	3.9
261.22186	9.3
267.21042	4.0
269.22672	5.5
271.24194	1.8
273.22159	1.5
275.20264	2.2
277.21490	2.0
281.22626	2.0
283.24191	3.8
285.22205	7.8
289.21521	2.5
291.23413	1.3
293.04413	73.2
294.04684	8.0
295.06009	4.2
303.23227	2.7
309.07629	1.3
311.05469	100.0
311.27374	3.1
312.05756	10.4
319.22565	1.5
325.06607	1.2
331.22729	2.4
331.26270	19.0
332.26627	1.6
341.24808	1.4
349.27228	5.2
353.21231	1.5
363.12109	3.9
367.11737	54.0
368.12027	7.1
369.24023	7.4
379.15430	3.0
387.25299	5.3
405.26236	5.2
405.35254	10.7
423.18420	11.7
423.31070	63.8
423.36230	47.7
424.21475	1.9
424.31760	6.0
424.36627	2.4
439.73068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01863	1.6
55.05502	11.6
57.03423	1.2
57.07082	2.1
59.82747	1.1
65.03938	1.3
67.05164	1.8
67.05502	26.2
69.07064	20.4
69.69229	8.4
71.08617	1.3
79.05490	13.0
81.07049	41.5
83.08604	9.5
85.06553	1.0
86.21561	1.0
88.20465	1.1
88.55766	1.1
91.05474	12.5
93.07037	34.9
95.04943	3.4
95.08597	79.4
96.08952	1.3
97.06517	1.4
97.10158	5.2
99.08122	1.1
103.05468	1.7
105.07021	31.4
107.08587	47.4
109.06501	4.4
109.10146	47.2
111.08072	13.3
111.11697	3.3
117.06989	5.3
119.08572	37.5
121.06499	1.5
121.10135	33.5
123.04423	5.2
123.08040	6.7
123.11687	16.5
125.09604	1.5
129.06998	2.6
131.08551	11.8
133.10126	32.0
135.08078	2.3
135.11685	23.3
136.29692	1.1
137.09612	1.6
137.13242	6.6
139.11159	2.3
142.07874	1.1
143.08560	4.6
144.09280	1.7
145.10110	19.7
147.10515	1.1
147.11665	22.2
149.13257	18.8
151.11133	2.8
151.14786	1.7
157.10092	7.4
158.10774	1.0
159.11682	22.7
161.13240	18.5
163.14818	13.8
165.12733	1.9
171.11693	5.5
173.11870	1.4
173.13249	15.0
175.14815	14.5
175.76173	1.3
177.12810	1.5
177.16382	18.2
179.03383	1.1
179.14267	6.6
179.17896	1.4
183.11783	1.2
185.13225	6.5
187.14778	11.7
189.16396	18.1
191.03307	7.3
191.14250	2.0
191.17940	9.9
193.15894	2.9
197.13242	2.3
199.14789	6.6
201.16373	24.6
203.17938	25.4
205.15833	5.6
205.19485	5.5
207.17413	2.7
209.04407	5.3
211.14803	2.3
213.16333	7.5
214.17160	1.4
215.03374	15.6
215.17963	12.2
217.16002	5.0
217.19502	13.0
219.17480	6.0
225.16406	2.8
227.17873	9.4
229.19550	7.2
231.17389	2.6
231.21111	2.7
233.04512	9.4
233.08072	2.0
233.18877	2.6
235.20685	1.2
241.19530	5.3
243.21057	3.8
245.08067	3.1
245.11931	1.1
245.19026	2.1
253.19458	3.3
255.21100	7.4
257.18900	1.1
257.22629	6.2
259.20596	2.2
261.21960	1.3
267.20874	1.7
268.21204	1.1
269.22604	11.3
271.09628	1.5
271.23972	2.1
281.22733	2.2
283.24069	3.4
285.22223	2.5
285.25720	1.6
295.05936	2.2
295.24054	2.0
303.01913	1.1
307.06012	9.7
313.25253	2.6
314.21463	1.0
325.07071	16.9
326.07407	2.3
331.26089	2.5
349.07007	12.9
349.10733	3.0
350.07651	1.5
365.31937	6.0
367.07919	2.9
367.12048	2.0
379.11716	3.7
381.13315	3.6
405.13235	23.5
405.35156	9.0
406.13516	4.4
423.13916	7.1
423.31226	10.0
423.36191	100.0
424.14191	1.7
424.36765	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05503	13.8
57.07071	6.6
57.07317	1.1
67.05160	1.7
67.05501	23.0
69.07064	21.7
69.07440	1.4
69.59979	7.9
70.04125	0.9
71.04990	1.3
79.05488	14.1
81.07051	67.1
82.07355	0.9
83.04963	2.7
83.08606	10.3
91.05469	16.0
93.07039	30.6
95.04971	3.5
95.08600	100.0
96.08941	1.5
97.06525	4.8
97.10171	5.8
105.06288	1.0
105.07023	44.7
107.08585	52.9
107.33339	1.0
108.08837	0.9
109.06498	3.1
109.10151	46.7
111.08070	3.3
111.11723	1.9
117.07014	5.0
119.08572	48.1
121.10130	39.0
121.11015	1.7
123.08081	1.6
123.11697	22.6
123.76157	0.9
125.09608	3.5
125.80544	1.0
129.07042	1.6
131.08559	19.5
133.10123	31.4
135.11684	28.9
136.11998	1.3
137.09625	1.5
137.13248	26.7
142.07768	1.2
143.08510	5.7
144.09329	2.8
145.10123	28.5
145.11278	1.6
147.11676	31.9
149.13248	22.1
150.62836	1.1
151.14827	3.4
155.08543	1.8
156.09369	1.7
157.10126	9.8
158.10899	1.1
159.11679	36.7
160.12398	1.0
161.13237	29.6
163.14795	7.5
165.16377	1.2
169.10100	3.4
171.11652	9.6
172.12431	1.3
173.13246	19.0
175.14819	22.4
177.12776	2.6
177.16376	20.9
179.14296	3.4
179.17921	1.4
183.11722	3.0
185.13220	8.6
186.14084	1.1
187.14809	16.7
189.16365	18.8
191.14337	2.3
191.16179	1.5
191.17937	27.9
193.15868	6.0
193.38380	1.0
197.13286	4.0
199.14815	9.3
201.16376	18.6
203.14369	2.4
203.17961	19.5
203.19727	1.6
205.15851	18.9
205.19452	7.7
207.17471	3.3
211.14786	3.6
213.16301	6.6
215.17923	21.6
215.19876	1.6
217.15950	5.2
217.19492	9.1
219.17471	7.1
225.16257	4.8
226.17169	3.0
227.17969	5.6
229.19476	8.4
231.17436	5.8
231.20978	5.7
233.18996	21.7
239.17952	2.6
240.18637	1.3
241.19536	4.5
243.17471	3.0
243.21068	5.6
245.19048	12.8
245.21432	1.3
245.22778	1.5
255.21104	5.1
257.19012	4.0
257.22647	3.9
259.20541	2.7
267.20996	2.0
269.22675	7.7
271.20584	4.3
271.23987	1.1
273.22110	13.5
281.22714	1.8
283.24182	4.1
285.22098	7.6
287.23602	1.4
297.25729	1.9
299.23737	4.7
309.25601	1.3
339.26566	1.3
341.28464	1.2
353.28674	1.6
361.98590	1.0
405.35126	7.5
423.36224	96.7
424.36655	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83250	0.5
53.03939	1.6
55.05505	11.7
57.03423	0.9
57.07068	6.2
65.03920	1.4
67.05499	20.5
69.07060	19.8
69.07442	0.7
70.15621	0.7
71.08618	1.0
71.29763	1.1
71.30089	0.8
79.05488	11.8
81.07050	58.2
83.04977	2.3
83.08606	9.5
91.05475	13.1
93.07034	34.1
95.04933	2.4
95.08598	93.3
96.08912	1.3
97.06521	4.8
97.10158	6.0
103.05477	0.7
105.07021	41.4
106.07357	0.7
107.08585	50.7
108.08913	1.0
109.06531	2.4
109.10148	46.2
111.08072	2.4
111.11710	1.9
115.05426	0.8
117.06989	5.1
119.08568	44.0
119.35425	0.6
121.10130	39.7
123.08093	1.3
123.11700	19.7
125.09617	2.7
129.06995	2.6
130.07755	1.2
131.08562	19.0
133.10115	33.3
135.10661	1.3
135.11685	25.8
137.09570	1.0
137.13242	27.4
139.11029	0.9
141.07007	1.1
142.07748	1.2
143.08577	6.1
144.09326	1.7
145.10107	26.6
147.11668	24.6
148.12070	0.7
149.09650	0.8
149.13251	20.7
151.11211	1.3
151.14804	3.0
155.08553	2.2
156.09311	1.4
157.10121	8.4
158.10925	1.5
159.11676	32.7
160.12289	1.2
161.13245	26.3
161.14598	1.4
163.14806	8.6
165.12721	1.5
165.16318	0.7
167.07083	1.1
167.08414	0.6
169.10095	2.7
170.10742	1.0
171.11647	6.4
172.12418	0.9
173.13243	17.1
175.13274	0.9
175.14815	21.0
177.12769	2.3
177.16367	22.5
179.14273	4.4
179.17877	1.3
183.11697	4.6
184.12505	0.8
185.13251	8.0
186.13892	1.0
187.14813	13.7
188.15305	1.0
189.16364	16.7
190.16640	0.8
191.14317	2.5
191.16147	1.5
191.17932	30.6
193.15851	5.6
197.13266	2.9
198.14066	0.7
199.14801	7.9
201.16370	16.2
203.14276	2.3
203.17940	18.0
205.15858	15.9
205.19484	7.1
207.17383	3.0
209.13158	0.9
211.14844	3.7
212.15532	0.9
213.16325	6.0
215.17931	20.9
216.18257	0.8
217.15941	7.4
217.19479	10.8
219.17439	7.4
219.20987	1.5
221.19054	1.1
225.14281	0.6
225.16406	2.9
226.17191	2.4
227.17900	6.1
229.15868	1.0
229.19487	7.4
231.17415	6.5
231.20956	5.7
233.18983	19.7
237.28891	0.8
239.17943	1.8
240.18692	0.9
241.19528	3.8
243.17494	2.7
243.21101	3.7
245.18990	13.8
245.22722	2.9
247.20465	1.3
253.19626	1.8
255.21089	5.3
257.19067	4.2
257.22577	2.9
259.20590	2.3
267.21069	1.9
269.22681	7.5
271.20557	4.8
271.23981	1.8
273.22113	13.1
281.22610	1.6
283.24146	4.1
285.22180	7.6
287.23645	1.6
295.24225	1.1
297.25809	2.1
299.23648	6.8
327.26889	1.1
339.26859	1.6
349.28906	0.7
353.28360	1.1
365.32111	0.7
405.35159	8.1
423.24515	3.0
423.36179	100.0
424.36621	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.64228	0.6
55.05503	13.2
56.24630	0.6
57.03413	0.8
57.07071	6.9
60.76767	0.7
60.90473	0.7
65.03919	0.9
67.05499	22.9
69.03414	0.9
69.07063	21.6
69.39459	6.9
71.08627	1.4
77.03922	1.0
79.05482	15.8
81.07050	64.7
82.07387	1.4
83.04974	2.2
83.08612	10.3
85.02898	1.4
85.06511	0.8
89.08098	0.7
91.05465	14.3
93.07037	34.8
94.07353	1.0
95.04955	3.0
95.08598	99.0
96.08916	1.2
97.02863	1.1
97.06519	4.7
97.10172	5.8
103.05502	0.8
105.07020	43.3
107.08588	50.9
108.08905	0.9
109.06537	1.8
109.10146	43.6
110.10465	1.1
111.08066	2.7
111.11703	1.4
117.07011	5.6
118.51790	0.7
119.08569	49.3
120.08900	1.6
121.10133	43.7
122.10456	1.0
123.08064	1.7
123.11702	21.8
124.97861	0.7
125.09631	3.0
125.13203	0.7
127.03870	1.2
129.07005	1.6
130.07755	1.5
131.08563	18.3
131.09511	1.4
133.10118	33.2
134.10487	1.1
135.08131	0.9
135.11679	26.4
137.09569	1.0
137.13245	28.5
142.07776	2.0
143.08530	7.4
144.09314	2.5
145.02898	1.0
145.10112	29.5
146.10725	0.7
147.11676	27.1
148.12178	0.8
149.13248	22.0
151.11205	1.7
151.14839	3.3
155.08548	1.4
156.09354	1.1
157.10123	9.9
158.10922	1.9
159.11684	33.9
160.12360	1.7
161.13246	26.4
163.14803	8.8
165.12712	1.6
167.07033	2.3
169.10120	2.7
170.10905	1.2
171.11681	8.2
172.12407	1.5
173.13248	19.9
173.14673	1.5
174.13667	1.1
175.14821	23.3
177.05492	2.5
177.12776	2.3
177.16376	21.7
179.14310	3.6
179.17920	1.6
183.11688	4.0
185.13234	7.4
186.14040	1.6
187.14824	16.4
189.12802	1.1
189.16357	20.8
191.14317	2.2
191.17937	28.0
193.15828	5.8
195.11652	1.2
197.13332	3.4
198.14030	1.3
199.14803	8.6
200.15694	0.7
201.16353	17.9
202.16794	1.2
203.14441	3.6
203.17941	21.1
205.15889	17.4
205.19408	6.8
207.17480	1.9
211.14784	2.9
212.15634	1.4
213.16376	7.0
215.17931	25.4
216.18301	1.8
217.15916	5.3
217.19449	9.4
219.17415	7.3
219.20956	1.6
225.16296	3.8
226.17188	3.2
227.17906	8.0
229.16034	0.9
229.19501	6.5
230.19913	0.8
231.17487	5.7
231.21075	6.7
233.19002	20.4
237.16429	1.0
239.18098	2.0
240.18745	0.8
241.19460	3.8
243.17461	2.8
243.21019	5.8
245.18990	13.3
245.22723	2.7
246.19177	1.0
253.19548	1.9
255.21045	5.6
257.19061	4.4
257.22537	3.6
259.20615	2.7
267.21167	1.6
269.22604	8.0
271.20605	6.0
271.24121	2.3
273.22079	12.8
274.22473	1.1
281.22699	1.1
283.24127	5.2
285.22116	7.3
287.23734	2.0
295.24203	0.9
297.25784	2.8
299.23682	5.0
313.25299	1.3
353.28275	1.2
365.32068	1.0
367.30051	1.1
380.30692	0.9
381.31314	0.9
405.35229	6.3
423.36166	100.0
424.36499	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	423.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.9
57.07065	5.3
67.05493	14.6
69.07061	26.9
69.30030	28.3
70.29269	2.2
71.53092	2.1
79.05477	6.9
81.07051	43.8
82.93263	2.1
83.08613	11.6
91.05465	10.4
93.07027	21.7
95.08595	68.7
97.10143	6.9
98.20779	5.2
105.07027	20.5
107.08580	45.2
109.10139	45.4
109.10825	4.5
111.11716	6.8
119.08569	40.1
120.17609	2.3
121.10125	43.9
123.11687	28.2
125.13290	3.2
131.08562	8.4
133.10121	35.4
135.11681	21.4
137.13304	14.4
142.07784	3.2
143.08539	6.9
145.10103	19.3
145.42551	2.5
147.11676	22.0
149.13255	13.3
151.14804	3.6
155.08553	2.8
157.10095	13.7
159.11676	24.6
161.13240	22.6
163.14847	8.8
169.10094	5.0
171.11664	18.9
173.13220	19.7
175.11052	2.3
175.14818	21.9
177.12747	3.1
177.16365	17.1
179.14323	7.4
179.17857	2.5
183.11714	5.7
185.13249	9.9
187.14793	13.3
189.16380	26.1
191.17941	10.5
193.15848	4.4
197.13234	6.2
199.14760	12.4
201.16383	9.9
203.17912	4.2
207.17346	3.3
211.14807	4.5
213.16374	16.2
215.17970	8.2
217.15961	5.3
217.19510	5.8
219.17436	4.3
225.16394	6.3
227.17886	7.5
229.19519	7.5
231.17453	9.6
231.21034	9.0
239.17842	4.1
241.19473	6.6
245.18977	4.1
245.22717	4.1
253.19504	3.8
255.21037	8.7
259.20538	4.6
267.21115	8.1
269.22644	10.0
281.22708	4.0
283.24173	3.8
285.22055	5.4
295.24200	4.2
297.25726	3.3
309.25778	8.6
313.25098	3.5
321.25739	7.4
323.27386	5.6
327.26730	6.1
335.27261	7.7
337.28729	4.5
341.39044	2.6
363.30417	3.6
405.29684	4.1
405.35138	76.5
406.35461	7.8
423.36203	100.0
424.36716	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.3
57.07061	2.5
67.05504	6.9
69.07071	19.5
69.63186	1.3
69.71640	5.2
69.72046	3.8
72.99243	1.3
79.05475	5.9
80.59364	1.3
81.07058	28.5
83.08614	5.4
85.42994	1.3
88.74136	1.2
91.05482	5.3
93.07050	12.9
95.08604	45.3
96.08945	1.4
97.06555	2.2
97.10177	4.0
105.07015	11.3
107.08581	22.9
109.10156	28.0
111.11703	4.8
119.08585	22.4
121.10143	25.8
123.08086	1.8
123.11715	14.1
131.08563	6.4
133.10130	21.3
135.11696	14.4
137.13242	9.6
143.08594	5.5
145.10141	10.5
147.11678	9.8
147.88870	1.4
149.13283	8.5
157.10136	7.8
159.11703	15.0
161.13269	8.8
163.14828	5.8
169.10083	1.9
171.11668	7.0
173.13264	8.4
175.14807	7.2
177.16399	11.2
179.14339	3.5
183.11700	3.3
185.13272	5.9
187.14835	8.1
189.16367	20.6
191.17943	25.1
193.15802	3.3
197.13266	4.5
199.14838	5.0
201.16336	4.0
203.17963	6.1
205.19513	2.2
207.17422	3.3
211.14836	2.9
213.16391	6.2
215.18039	6.4
217.16136	1.7
217.19473	8.6
219.17433	5.8
225.16396	2.8
227.17949	6.2
229.19533	6.6
231.17465	2.3
231.21114	3.0
233.19025	3.1
239.17714	2.1
241.19447	6.3
243.21199	1.9
245.19066	4.6
253.19519	4.1
255.21133	6.0
257.22678	1.6
259.20627	2.8
267.21115	3.9
269.22647	6.5
271.20563	3.7
273.22101	1.5
283.24359	2.0
285.22104	6.3
295.24271	5.2
297.25613	1.9
299.23767	4.0
309.25708	2.2
313.25189	2.5
323.27209	2.5
335.27219	3.7
337.28793	5.1
405.29813	1.9
405.35184	58.6
406.35498	4.5
423.31580	4.6
423.36215	100.0
424.36603	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	423.3616
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03923	1.3
55.05511	8.1
57.07065	2.4
63.10475	1.0
65.03933	1.0
65.63793	0.9
67.05495	14.2
69.06716	1.6
69.07062	23.2
70.29797	1.0
71.08614	1.2
71.34528	1.1
71.34858	2.0
79.05483	7.1
81.07048	34.2
83.08621	7.0
87.99835	1.0
91.05472	6.1
93.07034	18.2
95.04927	1.1
95.08599	51.7
97.06500	1.1
97.10157	4.1
105.06378	1.3
105.07026	15.2
107.07856	1.7
107.08581	34.9
109.10145	35.8
111.11729	6.7
117.06992	2.2
119.08568	29.9
121.06529	1.3
121.10130	32.5
121.11013	1.6
122.10523	1.3
123.11694	17.3
129.06979	2.9
130.07828	1.4
131.08556	8.0
133.10118	19.8
135.11661	14.9
137.09639	1.7
137.13255	10.9
142.07817	1.8
143.08566	3.5
144.09407	0.9
145.10100	17.5
147.11664	13.3
149.13232	8.7
151.14793	1.9
155.08501	1.5
156.09268	1.4
157.10136	7.4
158.10832	1.5
159.11664	15.2
161.13240	15.0
163.14806	5.2
165.12816	1.9
169.10141	3.0
170.10899	1.0
171.11708	9.8
173.13258	13.9
175.14822	9.8
177.16405	12.5
179.14301	2.8
183.11583	4.8
185.13222	7.4
187.14812	10.7
187.60306	1.0
189.16360	12.3
191.17928	13.6
193.15936	2.4
197.13301	5.0
199.14833	6.6
201.16353	6.9
203.14395	1.8
203.17972	5.7
205.15884	4.4
205.19476	2.4
211.14796	4.5
213.16371	9.0
215.17889	7.1
217.15933	3.7
217.19478	7.0
219.17429	3.3
223.14838	1.2
225.16365	2.1
226.17058	1.2
227.17967	7.6
229.19501	11.5
231.17421	7.3
231.20978	5.8
233.19052	1.5
239.17953	3.0
241.19493	6.0
243.21039	4.4
245.19011	3.6
245.22682	6.1
253.19467	2.7
255.21017	2.7
257.22635	2.0
259.20535	4.9
267.21085	5.0
269.22690	3.4
271.20554	2.5
271.24210	2.6
279.21066	1.1
281.22641	2.3
283.24176	2.3
285.22137	4.4
295.24158	3.6
297.25681	1.9
309.25751	2.0
313.25208	2.0
321.25760	3.7
323.27362	7.0
327.26801	1.0
335.27356	6.2
336.27902	1.9
337.28741	1.6
349.28867	1.6
363.30460	3.5
405.35135	79.6
406.35587	6.3
423.36188	100.0
424.36563	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	423.3617
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05492	4.7
57.07055	3.3
67.05504	6.7
69.07069	13.4
69.39626	1.2
70.88539	2.7
70.88899	1.7
79.05474	3.9
81.07052	21.2
83.08595	3.3
90.96957	1.2
91.05464	5.0
93.07027	12.3
95.04957	1.5
95.08595	31.4
97.06495	1.2
97.10161	2.8
105.07022	9.4
107.08587	21.5
109.06511	3.4
109.10146	16.1
111.11748	1.9
117.07027	1.5
119.08560	12.1
121.06477	1.5
121.10128	16.1
123.08051	3.8
123.11691	11.7
129.06937	1.2
131.08557	4.7
133.08629	1.2
133.10118	11.8
134.21310	1.2
135.08009	3.8
135.11694	9.8
137.13275	9.0
143.08572	2.8
145.10129	6.7
147.11667	8.9
149.09636	1.3
149.13242	10.4
157.10120	6.0
159.11690	6.0
161.09634	1.6
161.13245	8.2
163.14822	4.0
169.10089	1.7
171.11612	2.7
173.13229	6.0
175.11150	2.2
175.14766	6.0
177.12682	1.7
177.16406	1.9
179.14264	3.4
182.33064	1.1
183.11754	1.4
185.13200	1.6
187.11110	1.4
187.14833	5.2
189.16351	6.3
191.17964	7.1
199.14842	3.8
201.16412	3.9
205.15848	1.4
205.19458	2.0
211.14818	1.6
213.16365	6.4
215.17938	3.8
217.15894	1.7
219.17438	6.0
225.16307	1.5
227.17923	2.1
229.19443	1.6
231.21124	1.7
233.18898	1.3
239.17694	1.8
241.19441	3.2
243.21103	3.1
245.19211	1.4
255.21004	2.2
257.22638	3.7
259.20523	2.8
267.21072	4.0
269.22623	3.4
269.45334	1.1
271.24173	2.5
273.22180	1.2
281.18918	1.2
281.22443	1.5
283.24188	3.9
285.22162	4.2
297.25684	2.0
309.25833	1.9
331.26349	3.2
339.26959	1.4
363.30527	1.8
405.35092	24.6
406.35403	1.5
423.31168	8.4
423.36169	100.0
424.36624	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	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.05505	14.4
57.07058	6.9
65.03930	2.4
67.05502	27.0
69.03430	3.6
69.07057	20.9
70.06574	2.0
70.17370	4.5
70.17765	4.8
71.04977	2.5
79.05476	18.4
81.03410	4.3
81.07051	65.5
83.04974	5.1
83.08620	13.2
84.04493	2.2
85.02890	4.8
85.06532	3.0
91.05473	21.6
93.07030	39.7
95.04961	6.2
95.08600	98.7
96.08914	2.9
97.02885	3.3
97.06524	7.5
97.10155	5.9
99.08027	2.6
103.05500	2.4
105.07022	46.3
107.08588	55.5
109.02842	2.4
109.06496	4.4
109.10146	55.8
111.08110	4.9
111.11700	2.3
117.07018	6.9
117.56756	2.3
119.08572	52.5
121.02878	2.2
121.10142	51.5
123.08124	3.2
123.11694	22.7
125.09607	6.2
127.03879	3.8
128.06252	3.3
129.07024	4.2
131.05002	2.2
131.08572	17.0
133.10109	39.5
135.08032	2.8
135.11665	25.0
137.05962	2.8
137.09528	2.1
137.13245	25.1
139.11159	2.1
141.06917	3.3
142.07820	3.1
143.08577	6.6
145.02859	2.2
145.10110	35.0
147.04405	3.2
147.11691	28.6
149.13275	22.0
151.07532	6.5
151.11157	2.1
151.14827	2.7
157.10121	14.4
159.11681	34.6
159.12979	2.4
161.05974	2.3
161.13242	31.0
163.14850	6.3
165.09116	2.3
165.16379	2.3
167.07024	16.4
169.10216	2.6
170.10851	2.8
171.11700	9.9
173.13225	19.6
175.14847	24.1
177.05472	5.4
177.12845	3.7
177.16403	21.2
179.14331	3.9
183.11703	4.0
185.13304	8.0
187.14838	13.2
189.16383	21.8
191.14276	4.7
191.17952	28.4
193.08653	2.5
197.13290	2.7
199.14832	9.2
201.05479	2.6
201.16374	17.2
203.14423	2.8
203.17978	15.6
205.15875	11.6
205.19569	8.8
207.17451	2.3
207.83247	2.0
211.14790	2.5
213.16432	7.1
215.17931	30.5
217.15881	5.6
217.19591	11.0
219.17462	6.6
225.16432	2.8
227.17952	5.2
229.15858	2.4
229.19489	5.9
231.17505	3.3
231.21043	6.7
233.18999	17.7
239.17853	2.8
241.19539	5.3
243.10243	4.1
243.21056	5.4
245.19061	5.0
245.22685	2.8
255.21103	5.3
257.18909	3.1
257.22754	3.1
261.11398	3.0
261.15353	2.2
269.22601	4.7
271.20532	7.7
271.23880	2.2
273.22189	8.2
283.24173	2.4
285.22165	6.7
299.23746	6.2
302.41846	2.1
351.08807	3.2
405.26593	2.2
405.35263	5.9
406.35938	2.3
423.14392	7.5
423.23923	4.7
423.36209	100.0
424.14545	3.5
424.36621	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	423.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16369	1.0
53.03925	1.9
53.84673	1.1
55.01868	2.2
55.05504	15.5
57.03424	2.5
57.07079	6.3
61.66544	1.1
62.72709	1.2
65.03927	1.6
67.05164	2.2
67.05499	33.6
69.03410	5.2
69.07063	21.6
70.83149	1.5
70.83488	2.9
71.04977	2.5
71.08617	5.0
79.05055	1.6
79.05484	20.2
81.03410	11.7
81.07049	47.3
83.04939	3.9
83.08614	8.7
84.08112	1.1
85.02886	4.8
85.06532	2.5
91.05467	19.5
93.07037	37.8
95.04952	5.4
95.08598	47.7
96.08907	1.5
97.02892	2.6
97.06514	5.2
97.10144	5.3
99.04427	1.6
99.08072	2.8
103.03916	1.7
105.07019	30.8
107.04962	3.8
107.08585	36.7
108.08904	1.4
109.02871	10.6
109.06509	11.7
109.10141	30.7
111.00814	1.3
111.08087	7.0
111.11700	2.4
117.06973	6.0
119.08569	30.5
120.08905	1.8
121.06490	2.0
121.09303	2.2
121.10136	33.4
123.04420	1.3
123.08064	20.7
123.11679	13.4
125.09588	2.0
129.06958	4.1
131.08551	13.2
133.10121	24.2
135.04372	2.8
135.08081	7.2
135.11687	20.3
137.09605	2.6
137.13219	5.4
139.11160	1.7
141.06985	1.8
142.07762	1.9
143.08502	6.0
145.06491	2.0
145.10117	16.7
147.08008	1.9
147.11681	22.7
149.09612	3.6
149.13242	17.6
151.11165	1.9
151.14738	1.6
155.08575	2.8
157.10065	8.6
159.11687	21.1
161.09669	1.7
161.13245	15.3
163.11157	3.2
163.14790	10.1
165.12744	2.6
167.14249	2.5
169.10091	3.9
171.11688	9.9
173.09674	1.5
173.13245	17.0
175.11189	1.6
175.14783	10.4
177.01825	8.1
177.12764	4.2
177.16354	9.6
179.14304	37.3
180.14667	1.5
183.11661	4.6
185.13246	6.2
187.14763	10.0
189.12740	1.4
189.16338	11.3
191.14301	1.3
191.17885	5.7
195.02876	44.0
196.03242	2.2
197.13223	3.5
199.14757	7.7
201.12727	1.5
201.16370	7.0
203.17926	8.6
205.15865	1.9
207.08458	1.2
209.13283	1.5
211.03793	2.1
211.14812	1.8
213.12881	1.4
213.16531	2.4
215.14394	2.4
215.17940	6.1
217.15886	1.4
217.19466	5.7
219.17404	2.0
227.17847	4.0
229.19504	5.4
233.15318	1.5
233.18997	2.5
237.05435	1.3
237.16234	1.3
241.19487	3.7
243.21106	7.1
245.18967	1.8
247.20599	2.3
251.06921	1.3
253.19476	1.5
255.21062	2.2
257.22574	1.5
259.20547	3.9
261.22186	9.3
267.21042	4.0
269.22672	5.5
271.24194	1.8
273.22159	1.5
275.20264	2.2
277.21490	2.0
281.22626	2.0
283.24191	3.8
285.22205	7.8
289.21521	2.5
291.23413	1.3
293.04413	73.2
294.04684	8.0
295.06009	4.2
303.23227	2.7
309.07629	1.3
311.05469	100.0
311.27374	3.1
312.05756	10.4
319.22565	1.5
325.06607	1.2
331.22729	2.4
331.26270	19.0
332.26627	1.6
341.24808	1.4
349.27228	5.2
353.21231	1.5
363.12109	3.9
367.11737	54.0
368.12027	7.1
369.24023	7.4
379.15430	3.0
387.25299	5.3
405.26236	5.2
405.35254	10.7
423.18420	11.7
423.31070	63.8
423.36230	47.7
424.21475	1.9
424.31760	6.0
424.36627	2.4
439.73068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.6
55.05499	19.0
57.03428	6.2
57.07074	31.2
67.05507	17.0
69.03406	5.1
69.07066	36.7
69.62418	25.5
71.04977	4.7
71.08630	20.5
79.05473	11.6
81.07051	34.1
83.05029	2.6
83.08607	17.4
85.02893	27.7
85.06537	6.1
85.10154	9.7
89.05979	3.2
89.92474	2.4
91.05450	10.4
93.07024	11.2
95.04964	3.7
95.08601	37.3
97.06500	10.2
97.10161	11.1
99.08057	5.4
105.07009	13.6
107.08573	17.6
109.06504	21.6
109.10126	19.0
111.04452	7.1
111.08051	7.1
111.11695	4.9
114.34291	2.8
119.08557	17.3
121.06509	5.3
121.10129	14.8
123.04402	6.7
123.08070	26.3
123.11697	5.8
125.05980	4.5
125.09605	4.7
127.03904	49.0
131.08543	7.4
133.10075	15.1
135.08006	10.6
135.11642	9.7
137.05925	8.0
137.09592	4.0
137.13234	5.8
139.03891	42.3
142.16649	3.6
143.08572	3.9
145.10101	8.4
147.11655	11.3
149.09587	6.4
149.13257	7.3
151.07527	4.6
159.11668	5.5
161.09671	3.4
161.13231	8.2
167.06985	4.0
171.11658	5.8
173.13312	6.7
177.09073	3.6
179.10632	4.6
179.14299	76.1
181.08591	7.5
185.13383	3.8
187.14844	3.3
189.16251	3.1
191.43250	3.1
193.12291	3.7
197.13289	3.3
201.16391	4.3
205.15851	5.8
205.19363	3.5
206.29343	3.5
209.11705	4.3
303.26779	3.4
303.30316	4.5
329.28424	5.2
331.26364	31.8
347.29453	19.6
349.27261	4.9
359.32788	3.6
387.32556	8.2
405.33740	24.1
423.22556	4.8
423.30811	100.0
423.34964	95.3
424.21448	5.1
424.31171	9.3
424.35800	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	423.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.4
55.05502	26.9
57.07064	11.5
57.21260	2.6
67.05495	28.0
69.03407	2.9
69.06712	3.6
69.07066	48.2
69.93075	2.2
71.08645	4.8
71.25697	2.3
71.41098	4.8
77.48829	2.4
79.05484	11.0
81.07051	61.0
83.04974	6.0
83.08607	23.7
85.10146	3.7
91.05468	12.3
93.07030	28.0
95.08601	67.3
97.10143	9.7
99.04443	79.2
105.07024	19.1
107.08590	26.0
109.06501	9.4
109.10146	31.8
111.08051	3.9
111.11697	6.2
119.08570	18.6
121.10143	18.2
123.08066	12.8
123.10941	2.6
123.11699	17.8
125.05984	100.0
131.08548	10.6
133.10114	20.1
135.08034	9.3
135.11699	12.1
137.05978	8.4
137.09543	2.7
137.13243	13.4
139.07523	5.4
142.45663	2.3
145.10106	11.6
147.11653	11.6
149.09630	4.0
149.13246	9.1
151.07501	3.0
151.11176	3.3
151.14793	2.5
152.58923	2.4
157.10094	7.5
159.08118	3.2
159.11661	10.6
161.09618	5.4
161.13210	7.2
163.11168	6.2
163.14883	4.2
165.09039	3.9
165.12782	3.2
165.16388	3.1
169.09943	2.3
173.09604	3.1
173.13266	8.1
175.11180	5.9
175.14812	4.9
177.12701	4.8
177.16360	4.8
179.10661	6.1
179.14282	8.3
183.11711	4.6
185.13278	3.0
187.14859	3.9
189.12787	3.0
189.16360	5.7
191.10593	5.9
191.17938	3.8
193.12291	5.9
199.14893	3.5
201.16347	5.6
203.14241	2.9
203.17880	2.5
211.14923	3.2
213.16315	3.7
215.17923	5.0
217.33113	2.5
315.26553	4.0
331.26181	7.4
351.28946	3.0
357.77133	2.7
369.31265	5.7
387.32550	44.3
388.32886	4.4
405.33679	87.1
406.33710	7.9
423.30304	12.4
423.35632	22.9
424.31049	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	423.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01862	2.2
55.05504	15.0
55.23111	0.8
57.03416	3.0
57.07077	9.0
58.10638	1.0
59.04974	1.3
59.79161	0.9
65.03945	1.2
67.05497	34.0
69.03391	2.2
69.06715	1.8
69.07063	24.9
70.02126	2.6
70.02539	3.0
71.04981	3.6
71.08628	6.6
74.39709	0.9
79.05481	11.8
81.07047	42.9
82.07381	1.4
83.04969	4.4
83.08610	13.0
85.06531	4.0
85.10175	2.4
89.06016	3.4
91.05467	11.4
93.07030	20.3
95.04967	3.7
95.08595	41.4
96.08933	1.0
97.06522	3.5
97.10166	5.5
99.04442	30.7
99.08090	2.0
105.07022	15.0
107.08590	20.1
109.06509	17.8
109.10140	28.9
110.10514	1.3
111.08064	6.2
111.11686	2.6
117.06989	4.7
119.04922	1.6
119.08569	15.3
121.02879	1.6
121.06511	2.1
121.10123	15.5
123.04392	1.4
123.08052	42.2
123.11690	9.6
124.08344	1.7
125.05979	38.3
125.09624	1.0
126.06306	1.4
129.06969	1.6
130.07735	1.1
131.08569	6.2
133.08566	2.0
133.10110	14.3
135.08034	7.9
135.11671	9.1
137.05951	1.8
137.09619	4.2
137.13254	3.9
139.07515	1.8
143.08540	1.7
145.10115	9.3
147.11671	11.0
149.09593	3.9
149.13248	9.0
151.07474	1.3
151.11148	1.6
151.14839	2.2
153.09038	1.6
157.10115	3.4
159.08025	1.5
159.11679	10.7
161.09630	2.3
161.13292	4.9
163.11188	2.8
163.14827	3.3
165.09039	1.6
165.12714	2.2
169.10164	1.0
171.11687	2.3
173.09692	0.8
173.11717	3.5
173.13261	4.9
175.11189	4.3
175.14833	3.9
177.12772	5.1
177.16351	2.7
179.10770	2.0
179.14290	55.6
180.14578	1.6
181.12363	0.9
183.11705	1.4
185.13225	2.8
187.14836	2.6
189.12770	1.8
189.16397	3.6
191.10696	1.8
191.14294	2.5
191.17914	4.9
193.12233	3.2
193.15791	1.4
195.02878	2.1
195.13768	2.0
197.13318	1.1
199.14946	1.7
201.16377	3.8
203.14296	1.1
203.17940	4.7
205.15877	3.6
205.19528	1.2
207.13815	1.2
213.05515	1.8
213.16264	1.0
215.17995	2.0
217.15759	1.4
217.19440	1.8
219.17412	2.0
231.21051	1.1
232.08815	3.5
233.19019	3.1
241.05046	0.9
241.19351	1.2
247.20673	1.7
249.18645	1.6
253.19464	1.5
261.22223	2.0
267.21188	1.1
275.10651	2.3
275.19946	3.2
275.23618	0.9
289.25513	1.3
293.04575	1.5
293.08154	1.0
293.21069	3.5
293.28448	1.5
295.05969	12.2
296.06409	1.4
303.10086	7.2
303.23419	1.5
303.26816	3.9
307.09601	1.7
311.05469	3.1
313.25140	1.8
315.26880	1.6
321.07397	1.0
331.09610	21.7
331.13409	1.3
331.26300	28.1
332.09912	2.5
332.26703	2.6
333.07681	1.4
349.10672	51.2
349.27243	7.7
350.10919	7.6
351.11960	1.4
367.11826	2.7
367.24823	1.7
369.31528	1.2
387.32602	17.0
405.11920	1.2
405.16946	17.7
405.33670	38.4
406.17377	2.7
406.34064	3.0
423.18253	3.0
423.31046	100.0
423.35709	11.5
424.31265	9.9
424.36310	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.5
55.05511	30.8
57.03420	8.1
57.07072	19.3
58.06615	3.5
58.24455	2.2
63.41405	2.2
64.21216	2.4
67.01859	5.7
67.05225	2.8
67.05501	33.5
69.03427	40.0
69.07064	49.8
69.32522	25.2
71.04984	3.5
71.08624	6.1
79.05476	19.4
79.75682	2.2
81.07053	64.1
83.08615	30.2
85.02864	3.5
85.10182	3.7
89.05992	3.0
91.05460	15.4
92.09987	2.4
93.07044	36.7
95.04974	18.9
95.08603	66.6
97.02848	3.6
97.06501	6.8
97.10156	13.3
98.80756	3.0
105.07025	32.0
107.08589	37.1
109.06514	20.2
109.10149	42.0
111.04493	4.0
111.08063	5.8
111.11699	11.2
113.06013	3.8
117.07012	7.4
119.08577	32.3
121.06483	7.1
121.10136	34.1
123.04428	24.2
123.08071	19.6
123.11722	15.1
125.05974	9.1
131.08536	11.6
133.08597	3.4
133.10124	23.8
135.08037	10.5
135.11681	23.8
137.05974	7.1
137.09587	10.9
137.13225	10.2
141.05460	25.1
143.08522	7.5
145.10106	18.9
147.08017	5.1
147.11687	20.1
149.09625	8.2
149.13240	12.1
151.07483	4.9
151.11119	3.8
151.14874	2.7
153.09126	2.7
155.07002	8.1
157.10091	9.9
159.06540	4.9
159.11668	24.0
161.13261	11.2
163.07626	2.9
163.11139	5.1
163.14845	11.4
165.09108	8.5
165.16360	3.5
169.08627	5.2
169.10114	4.7
171.11694	6.2
173.09685	3.9
173.13252	11.2
175.11160	7.7
175.14789	10.1
177.12750	4.9
177.16316	5.3
179.10695	3.5
179.14299	10.3
183.10156	5.6
183.11609	5.9
185.13300	5.4
187.14792	11.3
189.12675	4.2
189.16353	12.4
191.10593	3.3
191.17943	22.8
193.12231	3.5
194.28658	2.7
197.11668	7.0
197.13277	4.6
199.14799	6.4
200.85890	2.6
201.12758	3.5
201.16353	9.0
203.14320	5.3
203.17943	7.1
205.15881	3.6
211.13206	3.5
211.14963	3.9
213.16306	6.4
215.14343	4.3
215.17966	8.5
217.15944	4.7
217.19521	3.0
221.15306	6.8
229.19476	5.8
233.15256	7.6
233.18813	4.5
239.14714	4.1
257.19089	3.8
261.18414	3.2
267.79587	2.9
283.24146	4.3
331.26163	9.7
345.14847	6.3
359.33090	2.9
359.40759	2.6
369.31454	5.2
387.32620	20.2
405.33740	73.7
406.34000	3.0
409.78357	3.4
423.18860	3.5
423.34943	100.0
424.21118	7.8
424.31821	3.1
424.35907	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01865	0.9
55.05506	7.4
56.41572	0.7
57.03418	1.8
57.07070	4.9
59.05001	0.6
65.03928	0.6
67.05497	16.5
69.03436	0.8
69.06709	1.0
69.07063	12.1
69.60244	1.2
69.60651	4.8
71.04987	1.6
71.08630	3.5
72.43027	0.6
73.06566	0.7
79.05486	7.7
81.07051	21.4
83.04976	1.6
83.08617	6.5
85.06531	2.3
91.05465	6.2
93.07037	10.9
95.04964	2.6
95.08598	21.9
97.06530	1.9
97.10158	2.1
99.04453	8.5
99.08086	2.7
102.27169	0.6
103.05447	0.6
105.07023	8.6
105.07664	0.9
106.05171	0.6
107.08587	13.0
109.06519	11.3
109.10151	13.0
109.10894	0.6
111.08091	3.3
111.11726	1.0
117.07028	1.9
119.08575	10.7
121.06522	0.9
121.10136	7.5
122.07292	0.9
123.08058	37.3
123.11700	4.3
125.05981	10.0
125.09606	1.1
131.08548	2.5
133.10115	7.3
135.08066	7.2
135.11667	5.1
136.08804	0.9
137.05994	0.7
137.09624	4.0
137.13240	1.6
142.07794	0.9
143.08604	1.1
145.10089	5.2
147.11687	4.5
149.09621	2.1
149.13252	5.0
151.11143	1.1
151.14850	0.7
157.10152	1.9
159.08066	0.6
159.11691	5.6
161.09618	1.0
161.13266	2.5
163.11185	1.6
163.14857	2.3
165.12729	2.1
167.14299	1.2
171.11703	1.4
173.11717	1.8
173.13277	3.0
175.11226	0.7
175.14844	2.7
177.11407	0.8
177.12714	3.3
177.16373	1.2
179.14302	47.1
180.14626	0.9
185.13246	0.8
187.14838	2.4
189.12859	1.0
189.16380	1.8
191.14458	0.7
191.17960	1.9
193.12231	1.0
193.15910	1.5
195.13860	1.1
199.14725	0.8
201.12721	0.8
201.16264	0.9
203.17928	1.0
205.15892	2.1
215.18036	1.7
217.19591	0.9
219.17400	1.0
233.19000	1.6
243.17534	0.8
251.20139	0.8
261.22205	0.9
263.20154	0.8
275.20102	2.2
289.25397	0.7
293.21149	1.7
295.06003	2.0
303.10291	1.0
303.26865	2.8
311.05466	2.0
313.25345	1.2
331.09793	2.3
331.26288	25.9
332.10226	0.8
332.26868	1.7
333.10483	0.8
349.10782	5.3
349.27301	7.2
350.10999	1.4
351.11307	0.9
351.18399	0.8
362.88983	0.7
367.11667	0.8
367.24786	0.7
371.56503	0.6
387.32623	5.7
405.16965	1.0
405.34015	8.8
423.17252	2.9
423.31088	100.0
423.35574	6.7
424.31586	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05515	4.7
57.03427	1.2
57.07076	3.2
67.05500	6.4
69.03423	0.7
69.07064	7.2
70.69153	1.5
71.05000	1.1
71.08623	2.7
75.04465	0.8
79.05486	3.3
80.36754	0.5
81.07053	9.9
82.36335	0.5
83.08596	3.2
85.06544	1.7
91.05466	2.6
93.07037	7.1
95.04967	0.9
95.08601	10.4
97.06516	1.7
97.10149	0.9
97.58141	0.4
99.08083	1.4
105.07008	4.8
107.08590	6.9
108.35164	0.6
109.06502	10.5
109.10149	4.6
111.08060	1.4
117.07028	1.2
119.08574	5.3
121.06463	0.8
121.10124	4.5
122.07293	0.6
123.08061	31.4
123.11689	1.7
124.08370	0.7
131.08548	2.2
133.10127	4.8
135.08034	5.6
135.11682	2.6
137.09599	1.7
137.13260	1.3
145.10097	3.3
147.11722	3.0
149.09586	1.6
149.13252	2.6
151.11160	0.6
151.14830	0.6
157.10136	0.6
159.11673	2.3
161.13260	1.9
163.14818	0.7
165.12856	0.8
173.13263	1.2
175.14807	1.1
177.12738	2.7
177.16437	0.6
179.14299	37.7
180.14696	1.1
185.13249	0.5
187.14838	0.7
189.16357	0.9
191.14264	0.8
193.15886	1.9
201.16415	0.6
203.17981	1.2
205.15878	1.2
215.17807	0.7
247.20674	0.8
263.20038	0.9
265.66443	0.5
275.20135	2.9
289.25174	0.5
293.21133	1.3
303.26797	3.1
313.25452	0.5
331.26291	23.6
332.26773	1.5
349.27429	5.4
360.21936	0.9
367.24817	1.8
405.29849	0.7
405.34708	0.7
423.31033	100.0
423.35223	3.9
424.31381	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.51541	0.9
55.01872	1.2
55.05504	5.9
57.03423	1.8
57.07066	2.9
62.51502	0.7
63.55714	0.7
66.98759	0.7
67.05495	18.6
69.03419	1.4
69.07059	8.9
71.04990	2.6
71.08633	4.0
71.64632	0.9
79.05483	7.0
81.03426	1.2
81.07052	17.6
83.04973	1.4
83.08601	5.2
85.06547	2.7
86.11101	0.8
87.43602	0.7
91.05459	7.0
93.07028	13.4
95.04971	3.5
95.08591	16.8
97.06534	2.5
97.10184	1.5
99.08101	2.5
105.07011	7.8
107.08578	11.3
109.02863	1.0
109.06511	13.0
109.10137	14.7
111.08071	2.1
117.07035	1.8
119.08553	8.6
119.09200	0.7
121.10123	7.7
122.07253	0.8
123.08055	29.3
123.08942	1.5
123.11699	3.5
125.09618	1.0
128.06287	0.9
129.06990	0.8
131.08562	3.2
133.10126	7.6
135.08052	5.8
135.11693	4.4
137.09621	2.1
137.13281	1.4
143.08563	1.2
145.10069	4.7
147.11708	4.7
149.09700	1.7
149.13239	4.6
151.11182	0.9
151.14835	1.2
157.10130	2.9
159.11685	5.8
161.09608	0.9
161.13290	2.8
163.14848	1.7
165.12782	1.3
167.14308	1.3
169.10147	1.1
171.11696	1.4
173.11734	2.5
173.13269	2.7
175.11182	1.6
175.14848	2.0
177.12762	3.1
177.16408	1.0
179.14290	52.6
180.14732	0.9
183.11720	1.0
185.13327	1.2
187.11087	1.0
187.14830	1.5
189.16408	2.7
191.14342	1.0
191.17908	1.1
193.15904	1.4
195.02872	4.8
195.13885	1.6
197.13147	1.1
201.16476	1.2
203.18054	1.8
205.15947	2.4
215.17937	1.1
217.19571	1.3
229.19638	0.8
231.17729	0.9
263.20102	1.4
275.20105	2.7
283.06012	2.2
289.25241	1.3
293.04422	2.4
293.21158	1.4
294.05060	0.8
294.95422	0.8
295.05991	24.2
296.06390	2.8
303.26987	2.7
311.05469	31.8
312.05930	3.1
313.25339	0.9
331.09695	3.0
331.26282	28.4
332.26791	1.1
349.10779	3.9
349.27402	7.4
352.01038	0.7
367.11731	34.9
367.24872	1.4
368.12106	3.8
387.28918	1.0
405.30368	2.1
423.18857	8.1
423.31174	100.0
423.35968	5.4
424.31790	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05510	3.6
57.03412	1.3
57.07076	4.1
64.63639	0.4
67.05179	0.5
67.05500	6.4
69.07065	6.6
70.58263	0.5
70.58612	1.7
71.04984	0.9
71.08620	3.4
72.66281	0.4
73.87415	0.4
79.05484	4.7
81.07051	11.6
83.04958	1.0
83.08625	2.5
85.06542	2.0
91.05473	2.8
92.93439	0.4
93.07040	6.4
95.04932	1.2
95.08598	10.0
97.06513	1.7
97.10143	0.8
99.08080	1.8
102.22818	0.5
105.07027	4.5
107.08594	8.3
109.05782	0.7
109.06510	12.6
109.10148	4.7
111.08073	1.3
117.07007	1.0
119.08567	5.3
121.06503	0.6
121.10143	5.4
122.07281	0.8
123.08057	26.3
123.11677	2.3
124.08427	0.5
125.09606	0.5
127.03922	0.5
131.08537	2.2
133.10130	4.0
135.08041	6.2
135.11699	2.3
137.09598	1.9
137.13249	1.0
139.11113	0.5
143.08556	0.6
143.64633	0.4
145.10138	2.0
147.11658	2.7
149.09612	2.3
149.13255	2.4
151.11218	0.5
159.11652	1.9
161.09666	0.7
161.13286	1.5
163.11252	0.5
163.14761	0.4
165.12787	1.6
167.14308	0.9
169.10207	0.5
171.11728	0.5
173.13220	1.2
175.11185	0.4
175.14833	1.7
177.12737	2.0
177.16425	0.7
179.14297	64.9
180.14662	1.4
187.14725	0.7
189.16341	0.6
191.14302	1.2
191.17908	0.5
193.15891	2.5
199.14848	0.4
203.17995	1.0
205.15895	2.7
215.17932	0.7
233.18982	0.7
247.20554	0.6
263.20132	0.7
275.20004	2.7
289.21768	0.8
289.25143	0.9
293.21124	1.1
303.26862	2.2
331.26300	26.4
332.26770	1.7
349.27359	6.2
367.24890	1.0
405.30005	1.8
405.34998	0.6
423.31042	100.0
424.31421	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	423.3103
Annotation	6alpha-Angeloyloxy-4alpha-hydroxy-3,4,13,14-tetrahydrokolavenic acid
Peak:m/z	Relative Intensity
55.01851	1.1
55.05513	6.2
57.03414	2.0
57.07069	1.4
65.03902	0.7
67.05498	7.6
69.03415	1.1
69.07072	10.6
71.04992	1.3
71.07285	1.7
71.08624	1.4
75.77962	0.7
79.05490	4.4
80.08615	0.6
81.07055	15.1
83.04971	0.8
83.08614	4.5
85.06509	1.0
85.23902	0.6
91.05457	3.9
93.07048	7.1
95.04973	1.3
95.08043	1.0
95.08604	12.7
97.06509	2.2
97.10162	1.7
99.08087	1.1
105.07011	4.2
107.08587	8.4
109.06512	7.7
109.10135	5.0
111.08080	1.4
117.07013	0.9
119.08585	6.8
121.06495	0.8
121.10147	5.3
122.07291	0.6
123.08061	42.1
123.11718	3.7
131.08568	1.5
133.10152	5.3
135.08051	6.6
135.11673	2.9
137.09607	2.9
137.13278	1.5
138.14693	0.6
143.08554	0.7
145.10110	2.5
147.11705	2.8
149.09593	2.5
149.13281	3.1
151.11343	0.7
157.10153	0.9
159.11662	3.3
161.13263	2.4
163.11205	0.8
165.12796	1.1
167.14217	0.6
173.13219	1.5
175.14793	0.8
177.12779	3.0
179.14302	18.3
185.13206	0.7
187.14804	1.0
191.14267	0.8
193.15948	0.7
205.15875	1.4
233.18958	1.0
247.20616	1.6
259.17120	0.8
263.19989	1.4
275.20154	3.6
284.40588	0.6
288.55630	0.6
289.25266	1.0
293.21127	3.4
303.26816	2.9
314.06378	0.7
331.26300	25.7
332.26642	0.9
349.27386	7.0
367.24820	1.8
405.30124	1.7
423.31049	100.0
424.31268	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.05507	19.9
57.03436	5.6
57.07052	8.5
63.92679	2.9
65.03929	2.8
66.03730	2.6
67.05497	47.4
69.03426	13.8
69.07068	28.4
71.05011	3.7
71.08602	6.8
71.62920	3.9
72.44301	2.7
79.05490	25.7
81.03422	17.1
81.07049	77.5
81.52170	2.7
83.04974	10.2
83.08596	13.4
84.13543	2.8
85.02900	7.2
85.06542	5.8
88.72301	2.7
91.05466	25.8
93.07032	43.4
95.04971	9.9
95.08600	61.9
97.02866	8.7
97.06525	4.4
97.10144	3.4
99.04439	3.5
99.08050	3.6
105.07021	40.6
107.04962	5.8
107.08591	36.2
109.02859	5.3
109.06485	16.0
109.10155	34.1
111.08056	5.5
111.11697	5.2
115.05444	2.9
117.07014	10.3
119.08577	31.4
121.06480	7.0
121.10147	34.0
122.07312	2.8
123.04447	3.1
123.08044	38.5
123.11682	17.6
124.42020	3.0
125.09531	4.6
127.03870	6.0
128.06219	3.5
129.06995	6.1
131.08557	19.7
133.06438	3.1
133.10141	28.1
135.08057	13.3
135.11652	20.5
137.09666	3.4
137.13322	7.1
143.08556	6.0
145.06461	3.4
145.10117	22.6
147.08054	5.5
147.11700	20.3
149.09627	5.0
149.13263	14.7
155.08589	2.9
157.10176	14.2
159.11722	24.7
161.13252	14.1
163.14787	7.8
165.09053	3.4
169.10094	4.7
171.11635	14.4
173.09564	4.0
173.13249	12.7
175.14832	6.5
177.12730	4.6
177.16446	4.9
179.14301	42.7
181.10147	3.7
183.11736	5.0
185.09608	2.8
185.13292	7.6
187.14833	11.3
189.16370	10.8
191.14272	4.3
191.18054	5.8
195.02898	5.5
197.13274	4.4
199.11327	2.9
199.14909	3.4
201.12733	4.4
203.02434	2.7
203.14362	3.7
203.17905	4.2
205.15810	4.9
211.14835	4.1
213.16295	3.5
215.17918	7.9
219.17403	3.2
233.15465	3.5
241.19527	4.0
250.03133	3.2
261.22119	7.0
262.47372	3.1
267.21182	3.4
281.22714	3.4
285.22159	3.4
301.21609	3.3
303.23346	6.3
303.26483	3.6
311.05478	43.3
313.25415	3.1
331.26263	30.1
341.24963	3.9
349.27292	5.8
367.11807	17.1
369.24124	15.7
387.25281	11.4
405.26285	11.6
405.30945	5.0
423.18414	4.8
423.31198	100.0
423.36276	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	423.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26694	0.8
55.05507	5.8
56.71037	0.9
57.03409	2.9
57.07063	2.3
67.05494	6.8
69.07049	7.1
69.46620	8.4
71.04973	0.9
71.08620	3.2
79.05460	5.0
81.07048	12.4
83.04981	1.8
83.08614	3.0
91.05473	3.0
93.07034	7.6
95.04935	1.0
95.08588	14.6
97.06492	1.6
97.10165	2.0
99.08073	1.1
105.07005	6.4
107.08582	8.8
109.06503	11.3
109.10137	7.4
111.08051	1.4
119.08582	6.0
121.10126	6.2
123.08067	26.7
123.11678	2.9
131.08546	2.6
133.10103	4.4
135.08032	5.4
135.11697	3.5
137.05963	1.9
137.09622	2.2
137.13229	2.2
145.10098	4.1
147.11678	2.8
149.09564	2.2
149.13228	3.9
151.14816	1.2
157.10100	1.7
158.44394	0.9
159.11693	3.2
161.13258	3.2
163.14806	1.2
165.12804	1.9
173.13300	1.7
177.12750	1.9
179.14291	41.4
185.13187	1.7
187.14815	2.4
189.16330	2.3
191.17973	1.2
193.15921	1.4
199.14679	1.1
201.16434	1.5
203.17818	1.0
205.15852	2.6
215.17931	2.6
219.17439	3.1
228.81717	1.0
257.83072	1.0
275.20026	2.0
293.21097	2.1
303.26950	2.7
331.26294	24.5
332.26529	1.1
349.27206	6.1
367.24808	1.3
387.77917	1.2
389.76581	1.0
405.35385	4.5
423.31055	100.0
423.36157	9.6
424.31567	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01859	6.5
55.05504	16.5
57.03432	6.7
57.07061	6.0
57.73749	1.2
65.03920	2.7
67.05499	55.4
69.03429	9.5
69.06721	1.3
69.07066	19.5
69.21629	1.4
69.95532	7.2
71.04990	9.8
71.08632	3.1
73.02901	4.1
79.05056	2.7
79.05489	37.5
81.03412	9.4
81.07050	59.9
83.04983	4.2
83.08613	11.3
85.02897	4.1
85.06532	2.2
86.11670	1.3
91.05473	25.3
93.06459	2.9
93.07037	56.6
95.04952	8.0
95.08601	59.7
97.02884	64.7
97.06497	3.2
97.10152	4.9
99.04440	33.4
99.08089	2.4
105.07018	28.2
107.04943	2.1
107.08585	36.8
109.02873	9.4
109.06540	9.7
109.10149	33.8
111.08069	4.3
111.11691	1.9
113.64819	1.2
115.03979	1.3
115.05450	2.3
117.06999	8.5
119.04935	1.7
119.08571	28.2
121.02817	2.8
121.06486	3.2
121.10136	36.4
123.08059	17.5
123.11700	12.9
125.06063	1.2
127.03922	16.0
127.36069	1.3
129.06996	2.9
131.08566	17.9
133.10117	22.5
135.08049	4.9
135.11691	24.8
137.09604	2.7
137.13239	4.8
139.07565	2.0
139.11115	1.7
143.08559	4.2
145.04956	10.4
145.10109	14.6
147.11684	17.1
149.09601	2.9
149.13223	13.0
151.11139	1.6
151.14804	1.3
157.10127	3.5
159.11674	16.0
161.13248	13.5
163.11079	1.6
163.14812	6.3
165.12730	3.2
167.14418	1.5
171.11688	3.2
173.13213	11.1
175.07494	1.3
175.14778	7.3
177.12637	1.7
177.16382	5.2
179.14302	28.1
185.05943	1.9
185.13199	1.8
187.14784	8.9
189.05414	2.3
189.16377	5.4
191.07034	1.6
191.14481	1.6
191.17928	4.2
193.15933	2.9
195.02866	3.9
199.14851	2.4
201.16412	5.9
202.07651	1.5
203.06955	2.2
203.17921	9.2
205.15891	3.9
207.13727	1.6
213.05418	2.5
215.17920	4.0
217.19508	4.5
219.17456	1.5
227.17973	1.7
229.10147	2.9
229.19508	2.2
231.06335	1.8
231.17445	1.9
232.08838	7.1
233.19031	3.4
233.22638	1.4
243.21126	7.0
260.08316	3.8
261.22095	18.1
275.10657	4.7
275.20093	2.5
277.21628	1.6
279.06418	1.7
279.23105	1.8
295.05957	31.8
296.06461	1.7
303.10120	13.9
307.06253	3.2
307.09616	3.8
311.05472	15.5
312.05911	1.3
313.25046	1.4
331.09610	61.1
331.26349	15.1
332.09903	5.0
333.07663	4.0
334.08307	3.3
349.10678	100.0
349.27402	4.5
350.10950	10.0
351.12100	2.5
359.29083	1.5
367.11697	8.3
387.28696	2.1
405.16943	34.7
405.34424	8.7
406.17276	5.1
423.17661	4.9
423.31079	56.2
423.36255	20.2
424.31366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01862	3.5
55.05509	13.3
57.03433	2.9
57.07062	5.0
65.03931	2.9
67.05499	45.7
69.03430	7.5
69.07062	20.0
69.31638	17.5
69.41169	1.6
70.04071	100.0
71.04408	2.7
71.04984	3.6
71.08641	2.4
72.08177	1.8
72.38310	1.6
79.05480	22.9
81.03410	13.6
81.07048	53.1
83.04967	5.4
83.08616	8.0
84.05618	5.5
84.26357	1.7
85.02895	3.9
85.06532	2.6
91.05470	19.5
93.07043	39.4
95.04944	8.8
95.08598	43.3
95.95377	1.5
97.02894	2.9
97.06534	4.0
97.10163	4.3
98.20770	3.2
99.04442	3.3
99.08080	1.7
105.03398	2.0
105.04460	1.8
105.07021	23.1
107.04953	4.1
107.08582	26.9
109.06507	7.0
109.10140	28.9
111.04425	3.7
111.08080	6.2
115.05460	1.8
117.06985	8.9
119.08583	19.6
121.06488	2.6
121.10132	21.8
123.04408	3.3
123.08064	15.5
123.11687	8.8
125.09644	2.6
127.03963	2.2
128.06190	2.0
129.07014	5.5
130.07782	1.8
131.08556	15.4
133.10107	20.9
135.04376	2.0
135.08064	5.1
135.11678	16.0
137.05972	2.2
137.09605	4.0
137.13264	5.7
139.11127	2.0
141.01816	2.0
141.06938	2.4
142.07861	1.8
143.08580	5.7
145.10120	16.6
147.04439	3.1
147.11676	13.0
149.09572	2.5
149.13268	11.8
152.06267	2.3
154.49455	1.6
155.08533	3.3
157.06421	1.8
157.10097	8.8
159.11681	20.1
161.13219	8.8
163.11188	3.1
163.14810	2.5
169.06453	1.8
169.10112	3.8
171.11639	5.3
173.11832	2.7
173.13278	10.0
175.11096	2.0
175.14836	6.3
177.12692	3.1
177.16429	4.9
179.14299	21.6
181.06454	2.6
183.11679	3.8
185.05965	1.8
185.13287	5.2
187.14810	6.5
188.03841	2.7
189.16469	3.6
191.03407	4.0
191.17961	2.1
193.15860	1.8
195.02963	1.8
195.13794	2.7
197.13165	2.0
199.14799	3.2
201.12868	2.1
201.16420	4.3
203.06949	1.7
203.17921	2.5
205.15836	2.4
209.04462	6.9
211.14806	2.5
213.05363	2.5
213.16440	2.3
215.03372	12.1
215.18008	3.0
217.10112	4.7
217.19467	2.3
219.17444	2.1
227.17937	3.1
229.19417	2.3
233.04434	14.6
239.18034	1.7
243.21121	2.0
245.09621	3.5
245.19073	2.8
251.00278	5.8
252.00589	8.9
252.99944	22.4
259.20514	4.2
261.22095	4.8
267.21204	2.1
273.09067	3.6
273.22147	3.2
277.21759	3.5
283.05835	1.8
291.10318	1.8
301.21686	2.3
303.23331	3.5
307.05930	10.9
311.05603	15.5
315.22955	2.0
319.09735	12.4
323.05402	2.4
323.09012	2.9
325.07004	17.3
331.26260	9.7
347.09116	43.0
348.09616	5.0
349.07001	13.3
349.27701	2.7
350.07693	1.7
365.10156	89.4
366.10596	8.0
367.08060	2.7
369.24084	8.4
381.13062	5.5
387.25232	6.8
405.13223	21.6
405.26199	9.4
405.30835	2.2
406.05042	2.2
406.13565	3.3
423.06985	14.7
423.14322	70.0
423.26733	8.7
423.31198	38.4
423.36334	11.8
424.06409	27.7
424.14258	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	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43843	2.2
53.03940	8.6
53.21442	2.8
55.01858	10.0
55.05506	35.4
57.03423	7.7
57.07059	7.4
65.03926	3.5
67.05499	82.6
67.62317	2.2
69.03426	27.9
69.07060	35.3
69.39767	9.3
69.40190	15.0
71.01350	3.7
71.04973	7.1
71.08631	3.4
73.02912	2.7
79.05483	68.3
81.03414	36.1
81.07049	100.0
83.04970	13.0
83.08598	16.2
85.02895	19.1
85.06542	4.3
91.05471	54.8
93.07036	84.5
95.04960	20.0
95.08601	74.0
97.02881	10.7
97.06532	8.9
97.10153	7.9
99.04448	10.5
103.03916	5.0
105.07015	67.2
107.04955	7.4
107.08590	55.4
109.02863	3.3
109.06488	13.7
109.10143	35.9
111.04436	8.7
111.08098	9.4
112.75519	2.2
117.07004	28.7
119.08575	58.4
121.06512	6.7
121.10136	47.2
123.04413	6.1
123.08053	17.6
123.11700	14.3
125.09667	2.5
127.03925	5.1
128.06265	5.1
129.05490	5.2
129.06982	12.2
130.07701	2.6
130.12880	2.4
131.08553	36.9
133.06451	6.0
133.10120	39.3
135.08072	9.7
135.11688	31.6
137.09631	5.8
137.13254	4.3
139.03934	2.4
139.07506	2.7
139.11230	3.1
140.13568	2.4
141.06982	5.7
142.07851	2.8
143.08542	15.7
145.10121	34.2
147.08025	9.8
147.11674	25.3
149.05919	2.5
149.09584	8.1
149.13234	19.9
149.93117	2.4
151.07532	3.7
151.14674	2.3
155.08534	7.8
157.06509	4.9
157.10060	13.1
159.08040	5.5
159.11668	35.2
161.09589	3.5
161.13243	26.0
163.11214	8.9
163.14847	10.5
165.12750	3.8
167.08525	4.0
169.10109	7.9
171.07988	4.6
171.11676	13.1
173.09787	2.8
173.13258	25.2
175.11176	5.8
175.14832	10.1
177.12758	3.1
179.14294	17.7
183.11659	7.6
185.09685	3.7
185.13249	12.2
187.11113	4.5
187.14842	11.9
189.16415	4.4
191.14272	3.6
195.11743	4.2
195.13712	2.6
197.13243	5.4
199.11092	4.9
199.14867	4.4
199.27292	2.5
201.16380	5.8
203.17874	4.3
209.13326	3.2
211.14917	3.1
213.16383	3.4
215.14244	2.4
215.17960	3.6
217.19522	3.3
219.17276	2.8
221.15465	3.8
223.14902	3.8
225.12775	3.4
229.19495	2.6
231.17621	2.5
233.19112	3.4
241.19542	7.2
243.21031	7.9
247.13429	3.8
249.14828	3.3
255.21074	4.2
259.20609	11.3
261.22095	26.2
267.20987	3.0
271.20517	7.4
273.22061	5.4
275.20172	2.4
275.23514	3.4
277.21591	8.2
285.22058	5.6
289.21701	8.5
291.23129	6.4
295.06000	17.1
301.21408	6.6
303.23199	17.4
315.23022	6.2
319.22659	3.8
327.23248	5.6
331.22610	2.8
331.26257	8.2
341.24661	5.5
345.24338	6.9
349.10739	3.8
351.23297	8.2
357.24155	3.4
367.11627	9.6
369.24194	33.4
387.25305	21.4
405.26260	33.5
423.18497	4.9
423.27203	19.1
423.31281	24.6
423.36444	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01872	3.3
55.05506	14.3
57.03439	3.8
57.07067	5.8
65.03957	1.3
67.05502	33.4
69.03426	8.8
69.07063	17.4
69.66737	8.5
71.04986	2.8
71.08620	4.7
73.06563	1.3
79.05489	23.5
81.03423	9.7
81.07056	43.0
83.04983	4.6
83.08607	8.3
84.07671	1.1
85.02915	4.3
85.06544	3.4
85.10150	1.1
91.05472	16.9
93.07038	27.9
95.04978	6.4
95.08603	38.1
97.02888	5.5
97.06523	5.0
97.10172	3.7
98.20765	1.9
99.04470	1.1
99.08107	3.6
105.03398	1.9
105.07026	22.3
107.04968	3.1
107.08592	22.3
109.02828	2.0
109.06520	18.3
109.10149	18.4
109.10815	1.5
111.04424	1.2
111.08086	4.2
115.03951	1.3
117.07001	8.2
119.08577	21.1
121.06516	3.9
121.10126	19.8
123.08064	36.8
123.11699	7.8
125.05996	1.2
125.09603	1.5
127.03906	1.9
128.06230	1.7
129.07028	4.1
131.08556	13.3
133.06529	1.6
133.10121	15.6
135.08031	9.3
135.11679	12.6
137.09621	2.7
137.13274	4.0
139.07547	1.7
141.07014	1.7
142.07838	1.2
143.08524	6.0
145.10114	13.2
147.08087	2.0
147.11658	11.9
147.12560	0.9
149.09650	4.9
149.13257	9.9
151.07478	1.2
151.11244	1.3
153.09061	1.0
153.12762	1.2
155.08549	2.1
157.10164	4.7
159.08080	1.9
159.11688	12.9
161.09663	2.6
161.13243	6.9
163.11235	3.3
163.14897	3.2
165.07249	1.3
165.09077	1.4
165.12714	1.9
167.14352	2.2
169.10120	2.5
171.08084	1.0
171.11705	3.9
173.09721	1.3
173.13223	8.8
175.07599	1.8
175.11221	3.4
175.14856	4.3
177.12784	3.4
177.16412	2.4
179.14308	56.5
183.11781	3.0
185.13278	3.6
187.11314	1.7
187.14848	3.5
189.12698	1.6
189.16420	4.5
191.10750	1.3
191.14388	1.5
191.18039	3.9
193.15903	2.3
195.02885	3.3
197.13313	1.2
198.58444	1.2
199.14827	2.6
201.16461	4.1
203.14328	1.2
203.18004	2.3
205.15933	2.9
213.12906	1.1
213.16608	1.1
215.14308	1.8
215.17978	2.0
219.17409	1.5
221.13332	1.2
225.16507	1.5
229.12238	1.1
229.19499	1.8
231.17542	1.4
233.15440	3.6
233.19023	2.7
241.19498	1.4
243.21120	2.1
253.19650	1.8
255.21237	1.2
259.20657	3.7
261.22223	4.9
267.06610	1.4
271.20560	1.5
271.92807	1.1
273.22275	2.4
275.20148	3.2
275.23627	1.5
277.21613	2.6
283.89545	1.2
285.07687	1.5
285.22281	2.0
289.21600	2.0
291.23425	3.2
293.21365	1.7
294.84445	1.0
301.21783	2.8
303.23236	3.5
303.26550	1.9
311.05475	29.0
312.05991	1.9
315.23312	1.5
319.22592	1.6
327.23175	1.5
331.26303	29.7
341.24954	2.6
345.11121	1.3
345.24426	1.5
349.10892	1.8
349.27420	7.0
351.23343	3.5
367.11664	6.5
367.24570	1.4
369.24121	8.7
387.25021	7.8
387.29367	1.1
391.36887	1.4
405.26395	9.3
405.30753	2.6
423.15970	5.2
423.31238	100.0
423.36139	6.7
424.31619	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	423.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	8.9
55.01870	18.0
55.05510	28.3
57.03429	7.7
57.07070	5.2
65.03936	2.8
67.05499	91.2
68.46471	1.8
69.03423	37.6
69.07060	23.4
71.01332	4.7
71.04990	16.4
71.08637	3.1
71.34209	2.4
72.41734	1.7
73.02902	5.4
79.05486	78.5
81.03419	37.9
81.07051	99.7
83.04975	6.1
83.08607	12.2
85.02904	8.4
85.06541	1.8
91.05477	50.1
93.07036	100.0
95.04975	11.9
95.08599	90.0
95.09231	2.4
97.02885	91.4
97.06528	6.3
97.10180	4.4
99.04449	40.5
99.08071	3.4
101.02383	4.3
101.67298	1.7
105.07024	40.0
105.07674	3.2
107.08584	58.7
109.02857	25.7
109.06500	8.1
109.10146	36.2
111.04467	4.2
111.08058	3.7
117.07009	18.6
119.08577	38.5
121.06471	1.9
121.10130	58.2
123.04413	1.9
123.08067	8.6
123.11700	15.0
125.09603	2.3
126.20724	1.8
127.03906	60.0
129.05513	2.9
129.06984	5.8
130.07771	2.1
131.04939	4.1
131.08557	31.0
133.10123	30.6
135.08047	5.5
135.11690	33.0
137.09587	3.5
137.13229	3.9
143.08589	5.4
145.04939	8.2
145.06487	3.3
145.10118	21.6
147.08005	2.6
147.11671	24.1
149.09598	2.2
149.13248	18.5
151.11099	2.2
155.08504	2.9
157.06641	2.0
157.10123	4.0
159.08066	4.1
159.11688	19.0
161.09622	2.6
161.13254	15.6
163.14818	7.5
169.10112	2.1
171.11722	3.8
173.09604	4.1
173.13246	17.5
175.11183	2.7
175.14778	8.2
177.16348	2.7
179.14349	8.4
183.11725	3.2
185.13283	3.3
187.14761	8.2
189.16339	3.9
193.15929	1.8
199.14853	3.1
201.12756	2.9
201.16386	6.8
203.17909	1.9
211.14841	2.3
213.05472	2.0
217.19455	2.1
231.21281	2.0
241.19460	3.7
243.21078	15.8
259.20615	9.4
261.22131	44.6
269.22577	2.5
273.22049	4.4
277.21591	3.1
296.06235	3.0
297.06601	5.7
311.23816	2.9
329.24750	6.5
331.09491	3.0
331.26321	2.6
339.23038	8.4
341.24637	1.9
349.10614	9.4
357.24265	10.8
405.16119	7.9
405.26480	2.0
423.17432	20.4
423.26999	5.4
423.32037	11.4
423.36221	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	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01863	3.4
55.05505	21.2
55.23339	1.7
57.03427	6.5
57.07062	5.1
59.04990	2.4
65.03922	4.1
67.05500	100.0
68.94956	1.8
69.03420	15.9
69.07060	20.3
71.01360	2.2
71.04983	5.3
72.46465	2.0
75.32780	1.6
79.05487	40.1
81.03411	19.0
81.06570	3.8
81.07053	78.4
83.04953	8.1
83.08607	14.2
85.02902	11.6
85.06530	5.5
91.05473	31.6
93.03474	1.7
93.07039	52.1
95.04945	6.9
95.08597	47.9
97.02882	6.9
97.06520	5.6
97.10196	3.4
99.04442	6.9
99.08115	3.9
101.06023	2.0
105.07020	27.4
107.04941	3.3
107.08591	36.9
109.02863	5.0
109.06501	8.0
109.10146	55.3
111.04430	2.6
111.08031	3.6
117.07013	15.3
119.08569	29.9
121.02850	2.8
121.06533	3.2
121.10138	24.3
123.04440	3.5
123.08072	10.7
123.11673	10.2
125.09702	2.4
127.03902	3.6
128.06172	2.1
129.05487	2.3
129.06993	5.2
131.04865	1.8
131.08551	20.1
133.06485	4.1
133.10118	23.8
135.08046	5.1
135.11670	18.0
137.09613	4.5
137.13210	2.7
139.11125	2.3
143.08546	7.7
145.10124	15.4
147.08083	2.7
147.11702	15.9
149.09567	3.5
149.13232	19.0
155.08530	4.9
157.10136	8.5
159.11678	17.2
161.09633	2.6
161.13242	8.4
163.14847	4.5
165.12807	2.6
167.08519	2.0
169.10149	2.8
171.11714	6.5
173.09622	2.1
173.11736	15.3
173.13274	10.0
175.11189	2.0
175.14828	4.2
177.12726	3.9
177.16391	4.8
179.03175	2.1
179.14284	11.1
183.11655	3.0
185.13284	6.6
187.11295	2.6
187.14777	6.8
188.42168	1.9
189.16406	2.3
193.15720	1.8
195.13792	6.6
197.13263	3.5
199.14842	2.4
203.18069	1.8
213.16370	3.0
215.07045	1.8
215.17900	3.7
237.11803	1.7
237.64151	2.0
241.19510	2.4
243.21021	3.4
259.20566	6.1
261.22119	14.3
271.20505	3.1
277.21494	2.2
291.23175	2.9
295.06012	2.6
298.04880	2.4
301.06860	2.2
303.23212	6.1
313.06970	4.5
315.23080	3.2
327.22964	2.4
331.26270	5.0
341.24780	3.0
345.24127	2.3
349.10706	5.5
363.94626	2.0
367.11719	3.4
369.24240	12.3
387.25168	8.6
405.26254	13.7
405.35217	3.2
423.17929	13.2
423.26840	55.5
423.36398	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.5
55.01861	4.9
55.05504	31.4
56.96540	8.9
57.03416	9.5
57.07069	9.4
58.06607	3.6
59.04978	4.5
65.03938	4.1
66.75384	3.2
67.05497	100.0
69.03420	24.8
69.07058	37.1
71.04982	7.9
71.08617	4.6
71.51395	6.3
73.02921	3.9
79.05480	55.1
81.03413	30.6
81.07048	95.4
83.04972	10.4
83.08604	15.0
84.08131	4.2
85.02877	12.9
85.06530	8.1
86.72165	3.5
88.51157	3.6
90.85130	3.1
91.05466	53.9
91.73861	3.6
93.07030	68.4
95.01341	3.1
95.04953	17.9
95.08599	69.0
97.02892	17.0
97.06523	11.0
97.10129	7.0
97.95109	3.5
98.09664	11.4
98.97562	11.2
99.04419	5.9
99.08051	6.4
105.07026	47.6
107.04918	7.3
107.08573	61.3
109.02812	6.8
109.06516	17.3
109.10141	48.9
109.12915	3.1
110.09650	3.7
111.04407	4.3
111.08042	9.4
116.98582	11.8
117.06998	15.4
119.08567	38.8
121.06429	4.9
121.10121	37.6
123.04426	3.6
123.08041	26.6
123.11654	18.6
125.05882	3.7
127.03940	6.6
129.06984	10.5
131.08565	31.6
133.10118	35.1
134.99677	6.9
135.08031	9.4
135.11659	28.0
137.09605	7.3
137.13245	5.7
141.06960	6.3
142.07726	4.6
143.08537	11.9
145.10098	25.7
147.11665	20.1
149.01172	13.0
149.09634	6.9
149.13239	21.8
151.11147	3.4
155.08527	4.1
157.10066	9.6
158.99615	5.8
159.08052	6.8
159.11684	24.3
161.09569	5.2
161.13260	14.5
163.14755	6.4
165.64839	7.4
169.10135	8.6
171.11613	7.9
173.11789	8.0
173.13235	11.0
173.14685	3.1
175.14862	8.9
177.00648	8.0
177.12689	8.7
179.14310	35.6
183.11671	7.0
185.09561	5.0
185.13228	8.0
187.14806	9.4
189.12772	5.2
189.16365	5.6
193.12254	4.4
195.11685	4.4
199.14822	6.8
201.16275	6.6
211.14809	3.8
215.14174	5.9
215.17874	3.7
241.19510	6.0
243.21124	5.2
259.20590	6.2
261.21973	20.7
262.97052	3.9
275.20093	9.2
277.13834	11.0
283.20859	4.4
293.05325	6.5
293.21011	10.2
295.05942	72.2
296.06299	5.8
303.23010	10.2
309.07501	5.5
311.05997	6.6
317.17865	8.9
330.29092	7.8
331.22675	4.1
331.26334	15.1
335.18765	9.0
349.10770	12.6
349.16965	3.8
349.27295	6.4
351.23141	5.6
367.07587	5.3
367.11673	52.6
368.12216	4.2
369.24249	17.9
387.25241	15.2
405.26468	15.5
405.30896	4.6
423.17871	13.0
423.26981	20.9
423.31976	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.6
55.05511	10.1
56.96574	2.8
57.03433	2.3
57.07075	2.2
67.05494	20.0
67.44434	1.9
68.13614	2.1
69.03460	2.5
69.07064	16.2
69.96072	13.0
71.04977	2.1
79.05466	9.3
81.03423	2.5
81.07048	27.3
83.04981	2.6
83.08604	6.9
85.02884	2.7
85.06538	2.2
91.05480	9.1
93.07037	17.7
95.04958	4.6
95.08596	30.5
95.69076	1.8
97.06548	2.6
97.10144	4.1
99.08086	3.1
105.07056	16.4
107.04931	2.7
107.08592	24.1
109.02920	2.4
109.06509	5.2
109.10150	24.4
111.04424	2.6
111.11732	3.0
117.07047	3.0
119.04964	4.3
119.08560	21.0
121.02856	4.5
121.10127	15.7
123.04421	7.6
123.08090	10.4
123.11700	11.5
125.09669	2.2
127.03934	7.5
131.08586	9.8
133.10124	17.3
135.11671	11.4
137.02313	4.5
137.13205	4.8
143.08524	3.9
145.06461	2.3
145.10101	13.5
147.04536	2.0
147.11691	11.5
149.13271	7.5
151.03961	2.5
151.07613	3.4
157.10126	6.2
159.11714	11.5
161.13280	5.9
163.14819	5.0
165.09106	3.0
167.07004	6.8
171.11729	4.3
173.09657	2.4
173.13263	8.2
175.14830	6.4
177.05423	2.5
177.16428	4.8
179.14317	11.1
183.10245	2.2
185.13055	2.2
187.14786	3.7
189.16370	7.7
191.14311	2.3
191.17949	7.5
195.02869	6.8
197.13205	2.5
199.14832	3.5
201.16417	11.0
203.18016	5.6
213.16431	4.2
215.17871	4.9
219.17471	4.9
227.17819	2.9
229.19464	2.5
254.00253	2.2
269.22769	2.5
283.06094	2.7
295.05994	100.0
296.06363	7.9
309.07635	8.0
309.26059	2.5
321.07678	2.5
325.07022	4.3
331.09628	3.9
331.26321	6.3
333.07635	4.4
334.08273	3.7
349.10736	8.5
351.12137	22.6
352.09238	2.8
352.12994	2.5
363.12354	3.1
365.10214	2.3
367.11630	10.6
381.13208	3.4
405.13327	10.7
405.35284	4.6
423.16534	6.4
423.21466	41.0
423.31296	22.0
423.36227	35.9
424.22067	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	423.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19500	1.1
55.01852	1.5
55.05505	3.5
56.05030	36.0
56.96547	2.0
57.03425	1.3
58.06593	12.6
60.38708	1.3
61.02926	1.7
67.05491	2.7
68.05007	3.8
69.03420	4.5
69.07057	6.8
69.80872	8.9
70.06592	18.6
71.04968	1.3
72.08154	8.1
73.02926	2.0
73.04022	4.1
74.06075	43.4
79.05497	3.1
80.05023	3.1
81.03405	4.2
81.07047	2.1
82.06581	1.4
83.04980	8.4
84.04488	6.4
84.08141	14.2
85.02898	10.3
85.04008	10.5
86.06052	1.5
86.09692	16.7
87.04452	1.5
87.73402	1.3
91.05466	3.6
93.07024	3.3
94.02895	1.3
94.06552	5.6
95.04984	2.4
96.04461	3.3
96.08115	13.3
97.02879	4.7
97.06512	2.4
98.06053	3.6
98.09690	14.7
101.07087	1.6
102.03770	1.7
102.05521	1.7
105.07002	1.9
106.75720	1.3
107.04977	2.1
107.07333	2.6
107.08591	2.6
108.08148	2.0
109.02856	2.0
109.05262	2.5
109.10159	3.6
110.06030	3.6
110.09630	2.5
111.04462	1.6
113.10777	7.7
114.10279	1.6
116.07053	2.2
116.98588	2.9
117.05730	2.0
119.04919	1.4
119.08580	2.0
120.08046	2.5
121.06488	1.6
122.06026	4.7
122.09635	2.5
123.04404	2.1
124.07559	3.5
124.11170	6.0
126.05498	3.5
127.03883	6.5
130.03210	1.8
130.06497	1.4
132.04430	5.8
132.10155	1.9
133.05183	2.8
133.06345	1.3
134.06003	2.7
134.09663	2.3
135.04398	1.5
137.05954	1.9
138.05492	40.2
139.05785	2.1
140.03409	1.6
140.07037	2.9
140.10686	3.5
141.10211	26.6
145.05135	2.5
146.04941	2.3
146.06004	24.5
147.04422	12.1
147.06432	1.8
148.07497	1.7
148.11244	3.8
152.07045	2.0
152.10638	7.3
154.06546	1.5
157.05206	4.7
158.05977	4.4
159.06790	4.1
160.07602	10.3
161.07103	1.8
162.07916	1.5
164.07095	2.2
167.07098	7.3
169.13341	28.3
170.09683	1.5
170.11731	1.4
170.13676	2.3
171.09158	3.8
172.07539	4.7
176.07047	2.4
180.08006	1.4
183.06636	1.5
183.14899	1.3
185.08322	2.6
186.09193	3.4
187.08830	2.3
187.10783	16.4
188.09418	3.7
188.11084	2.1
189.10211	53.6
189.11943	2.8
190.10512	1.6
196.07579	8.3
196.09552	2.7
197.12854	3.5
198.09155	22.6
198.11009	1.4
200.10684	39.9
201.10223	3.1
202.10846	2.4
211.14354	2.1
212.10683	3.1
213.12346	4.6
215.13895	62.9
216.10234	1.8
216.14166	3.0
233.13167	25.1
243.14920	89.3
244.15242	3.1
261.12515	19.6
261.15976	100.0
262.10837	3.2
262.16370	4.6
279.13718	75.2
280.14160	3.0
310.17752	2.3
379.09793	1.5
381.17078	1.7
423.08752	4.1
423.16849	8.7
423.21735	52.4
424.21710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48441	0.4
53.03938	0.4
55.05511	2.3
57.03432	0.8
58.99581	1.1
61.02914	0.9
66.89610	0.3
67.05492	1.4
68.05021	1.7
69.03429	4.3
69.07070	2.8
70.06593	3.9
70.87386	1.3
71.04989	0.4
72.08144	1.7
73.02911	0.8
79.05495	0.5
80.05002	0.4
81.03408	1.6
81.05807	0.5
81.07052	1.6
82.06577	2.4
83.07360	6.7
84.08142	3.0
85.02899	5.8
87.04462	1.0
94.06557	1.5
95.04962	0.4
96.08129	7.9
97.02875	2.3
98.09687	71.3
99.04433	0.5
99.10009	1.7
101.04237	7.1
104.05002	1.5
108.08112	1.1
109.02861	1.2
110.06032	0.5
114.09161	1.3
119.04928	0.7
122.06004	0.6
124.11221	16.5
127.02126	0.9
127.03918	1.0
130.06537	1.0
132.04445	30.7
133.05212	0.7
134.06021	1.0
134.09676	0.5
138.05408	0.4
140.07085	1.4
143.93816	0.4
145.05185	0.6
146.06003	11.7
147.04398	4.3
147.87605	0.5
148.07602	1.3
158.05998	15.3
159.06805	0.9
160.07614	2.4
172.04257	14.9
173.04578	0.7
180.04878	0.6
182.08073	0.7
197.07735	0.4
198.05858	1.4
200.10693	6.8
201.10175	0.5
203.11765	0.5
212.00243	0.4
213.40540	0.4
214.05322	1.4
215.08482	0.8
218.11787	1.5
219.11298	0.9
235.14430	1.3
235.64401	0.5
243.14923	11.3
244.06381	1.1
244.15282	0.6
261.09000	2.6
261.15970	100.0
262.16299	4.6
334.09555	0.7
377.13614	1.2
381.16470	1.2
423.14474	8.8
423.21210	75.3
424.21609	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	423.2024
Annotation	CHEBI:59526
Peak:m/z	Relative Intensity
50.83529	0.4
55.02988	1.0
55.05496	1.2
60.05645	0.6
67.05483	0.8
70.06567	1.1
70.18129	1.5
71.82929	0.5
72.08152	14.9
73.03970	0.4
81.07040	0.6
82.02929	1.1
85.06509	2.1
86.09689	0.5
91.05475	4.4
95.04962	0.5
97.07649	10.4
98.02400	1.4
98.05999	0.8
98.20744	0.5
107.04927	1.2
107.08580	0.9
110.02396	35.4
112.08682	0.7
114.10282	53.0
115.08662	2.2
115.10572	0.5
119.04938	16.6
119.08524	0.4
127.03860	0.4
131.12918	1.0
144.99362	0.4
145.06470	1.0
146.06026	0.6
147.04401	73.1
148.04747	0.9
151.08667	1.3
152.07056	25.3
153.07428	0.6
163.07538	0.6
164.95718	0.5
167.06982	1.1
169.09645	1.4
194.09256	4.3
211.11873	8.0
213.08949	1.3
217.13365	3.6
218.11792	3.7
233.52055	0.4
235.14476	0.6
259.15582	4.8
260.13876	4.8
277.16577	14.8
364.15460	1.4
370.20239	0.5
381.17908	0.6
406.12711	0.6
423.20239	100.0
424.20538	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	423.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01859	0.9
69.03408	3.1
70.06588	0.9
71.04967	0.8
72.04488	1.3
72.08134	2.1
78.03773	1.8
78.04689	2.2
79.05479	5.4
80.05022	1.3
81.03401	2.2
83.04949	1.0
85.02898	5.6
86.09724	1.1
90.32134	0.9
91.05466	2.8
93.07018	2.1
95.04947	2.4
97.02827	1.0
97.06509	1.0
99.04449	0.8
102.03771	2.3
103.03915	1.9
103.05464	4.6
104.65143	0.8
105.07003	5.5
107.04950	7.4
109.02846	1.0
115.05443	2.9
117.07018	1.0
119.04967	1.0
119.08541	1.2
120.08118	1.6
121.06442	2.2
122.03602	0.9
123.04401	8.1
124.03899	1.0
124.05175	2.9
125.05958	0.8
126.05492	3.0
127.03914	2.7
129.06903	1.3
131.04919	6.3
131.08614	1.1
132.04726	1.2
133.06467	4.2
135.04477	0.9
136.07532	1.4
137.05957	1.9
144.05714	1.1
144.52696	1.0
145.06468	2.8
146.06013	4.0
147.04399	3.0
147.06769	2.8
149.06165	1.3
149.07440	4.7
151.03886	1.8
151.07518	3.1
152.04630	1.8
153.05460	1.0
158.06004	1.2
159.08000	1.7
161.05984	5.9
163.07538	11.3
167.07027	87.8
168.07559	1.7
172.07523	1.1
174.09163	1.1
175.07535	1.9
177.09085	1.8
179.07010	2.7
181.08638	4.2
185.08301	1.3
187.07530	4.8
193.08574	15.6
200.10651	4.0
201.09084	1.2
202.12294	1.9
205.08624	1.5
216.10236	1.1
219.10062	2.5
233.11783	2.7
237.11179	2.2
243.11263	2.4
248.08076	1.0
261.12326	100.0
262.12662	1.8
291.10199	1.4
293.11636	9.5
323.12939	1.7
355.15427	2.9
360.80258	0.9
405.16763	3.2
423.17383	5.7
423.22287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87218	0.5
52.22763	0.5
53.03938	0.8
55.05499	0.6
59.04977	0.5
66.53932	0.6
67.05487	0.8
67.11760	0.5
67.54200	0.5
69.03411	1.7
70.06580	1.3
71.62207	0.8
72.08147	3.7
78.04702	3.5
79.05486	4.8
80.46333	0.5
81.03404	0.8
81.07050	0.9
84.08101	0.8
85.02897	1.4
86.09657	0.8
91.05466	2.6
93.07037	1.2
95.04960	2.0
96.05760	0.6
97.02908	1.0
103.05451	4.6
105.07029	6.5
106.04144	2.0
107.04957	7.0
107.08561	0.8
109.06546	0.7
109.10152	0.8
110.02407	0.6
111.08078	0.6
115.05482	3.0
117.06996	1.3
118.04164	0.7
119.04959	1.3
121.06519	1.7
123.04428	8.2
124.05216	3.3
125.05962	1.5
125.88741	0.5
127.03909	1.8
128.06203	0.7
129.07018	0.9
131.04926	6.4
131.08571	1.5
133.06487	5.2
134.03600	1.0
135.04350	0.7
135.08044	1.7
137.05997	3.9
138.05455	0.6
139.07471	0.6
141.07002	1.0
143.04922	0.7
143.08549	0.7
144.05688	0.9
145.06474	2.3
147.04404	3.4
149.05977	1.2
151.03893	2.5
151.06476	0.6
151.07524	3.9
152.04665	2.4
153.05457	1.7
154.05821	1.0
155.08411	0.7
157.06500	0.8
158.07268	1.3
159.08043	2.1
161.05966	6.8
163.07533	12.9
164.67192	0.5
165.09096	0.5
167.07031	100.0
168.07655	5.9
169.06461	0.7
169.08124	2.8
173.05894	1.1
173.09663	1.0
175.07516	2.5
177.05495	0.7
177.09106	1.4
179.06982	2.6
180.68735	0.5
181.08577	4.3
187.07539	2.6
191.06972	1.0
192.07809	1.0
193.06807	1.0
193.08589	17.1
201.09093	2.1
205.08655	1.2
206.08986	0.5
207.10081	0.6
211.07524	0.5
217.08493	0.7
219.10190	2.2
225.10828	0.5
233.11755	2.1
237.11214	1.5
249.05466	0.6
263.10663	1.1
264.04242	1.2
276.06625	1.2
290.04846	0.6
292.06201	0.9
295.13217	1.0
302.04538	0.7
304.06042	1.1
305.11597	0.6
321.06284	1.8
323.12805	1.9
332.05521	0.9
336.08600	2.8
341.85913	0.7
355.15347	3.6
364.08084	11.3
364.12381	0.8
365.08588	0.8
387.18054	1.2
405.09354	0.5
405.18384	0.6
406.12790	5.3
423.10214	0.8
423.15536	13.2
423.20648	0.6
424.16028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02972	0.6
55.05496	1.0
56.05012	1.0
65.22939	0.4
69.03395	1.3
69.29562	0.4
70.06590	2.5
71.04985	0.5
71.62485	0.6
72.08148	15.2
73.08459	0.6
74.06070	0.8
81.03387	0.4
81.07046	0.6
83.04958	0.6
84.04466	0.8
84.08121	1.8
85.02865	1.6
85.06676	0.5
86.09694	0.6
89.10754	0.7
91.05466	0.7
97.02860	0.9
97.07653	4.8
98.02396	0.6
98.06012	1.3
98.09683	0.6
102.16467	0.4
105.07018	1.0
107.04935	1.1
109.02878	0.5
109.04021	0.4
109.10085	0.4
110.02392	2.8
111.04323	0.4
112.08755	0.7
114.10280	19.4
115.08667	1.2
119.04921	1.6
120.08116	0.5
127.03904	0.9
127.08761	0.4
129.10135	0.4
133.10127	0.8
139.05084	1.9
139.55174	0.5
140.04510	0.7
141.10106	0.4
145.06429	0.6
147.04393	10.0
148.04689	1.1
148.29694	0.5
151.08609	0.8
152.07047	3.4
152.09052	0.5
163.03877	1.0
167.07033	0.6
169.13350	0.7
187.73904	0.5
188.03638	0.6
194.09157	1.7
209.15356	0.7
211.11876	3.6
215.13872	1.0
218.11691	1.2
220.07744	2.1
233.13132	0.5
235.14322	0.4
236.14751	0.5
259.15457	0.8
261.13080	10.8
261.15829	0.7
262.13449	0.5
277.16486	1.3
279.13718	1.0
303.14114	0.5
309.96902	0.4
333.19366	0.6
423.18234	100.0
424.18735	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	423.1801
Annotation	Eryvarin B
Peak:m/z	Relative Intensity
55.05477	0.6
56.96536	0.2
57.03426	0.2
59.04982	0.6
62.16874	0.2
65.03947	0.2
67.05506	2.0
69.07059	2.8
69.70741	1.5
71.08600	0.3
75.49032	0.2
77.86902	0.2
79.05463	0.8
81.03367	0.3
81.07040	2.1
83.08582	1.1
91.05464	1.5
93.07051	1.5
95.04935	0.4
95.08599	2.6
99.04394	0.3
105.06991	1.0
107.04929	0.6
107.08609	1.9
109.02861	0.6
109.06488	0.9
109.10133	1.5
111.08048	0.3
111.11722	0.3
117.06999	0.5
117.27351	0.2
119.04945	1.4
119.08618	1.7
121.02869	2.0
121.10104	1.1
123.04391	0.6
123.08043	1.9
123.11665	0.8
129.06975	0.3
130.07806	0.2
131.08521	0.5
133.10129	1.1
135.08026	0.6
135.11649	0.9
143.08546	0.5
145.10085	0.9
147.04375	0.2
147.08043	0.3
147.11641	0.8
149.13219	0.6
155.08557	0.4
157.06450	0.4
157.10141	0.4
159.11635	0.9
161.13266	0.7
163.14804	0.3
165.07008	0.3
169.06346	0.2
171.11494	0.2
173.13260	0.5
175.14807	0.7
177.00471	0.2
177.01787	1.3
177.12749	0.2
179.14291	3.4
183.08081	0.3
185.05995	0.3
187.14795	0.4
189.05312	0.4
190.52368	0.2
195.02876	5.4
199.07513	0.2
201.16409	0.4
203.07022	0.5
203.17888	0.8
211.07608	0.5
213.05437	0.7
215.07016	0.3
215.17966	0.3
219.17407	0.4
229.10091	0.3
231.06285	0.2
232.08879	0.9
239.07045	0.8
245.08067	0.4
255.06458	0.4
260.08453	0.4
267.06558	0.7
275.10715	0.8
277.04898	0.4
281.07996	0.3
283.06042	2.7
295.05988	66.7
296.06351	3.1
297.07831	0.4
303.10126	2.7
305.08112	0.3
307.06018	1.0
307.09659	0.8
309.07532	4.0
321.07568	0.5
323.09106	0.5
331.09637	9.6
331.26410	1.7
333.07690	0.4
333.11151	0.3
333.17484	0.3
334.08286	0.4
335.09161	0.3
335.12677	0.4
337.10733	2.0
347.09137	0.6
349.10693	11.4
349.27396	0.4
350.11020	0.5
351.12283	2.5
363.12274	2.6
367.11261	2.2
375.11899	0.3
377.17450	0.3
405.16989	0.8
423.17978	100.0
423.36328	1.6
424.18332	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	423.18
Annotation	Vogelin H
Peak:m/z	Relative Intensity
51.14067	0.7
55.01870	1.2
55.05506	3.2
57.07069	1.5
60.52045	0.5
65.03941	1.3
67.05505	8.1
67.41074	0.5
69.03397	0.9
69.07062	4.9
70.13657	1.6
70.14075	1.5
79.05486	4.8
81.03400	0.8
81.07057	10.5
83.01344	0.7
83.04970	1.0
83.08607	2.5
85.06531	0.6
88.62831	0.6
91.05482	3.6
92.32246	0.6
93.07065	6.4
95.04959	6.0
95.08604	13.8
97.10159	2.2
99.04440	0.8
105.07029	5.9
107.04941	1.2
107.08580	10.5
107.18645	0.5
109.06511	2.5
109.10152	9.2
110.16721	0.6
115.05395	0.8
117.07014	1.9
119.08577	10.8
121.06462	0.9
121.10146	8.2
123.04424	100.0
123.08064	5.7
123.11697	3.4
124.04756	1.9
125.05960	0.7
125.09621	0.8
127.03880	0.6
129.06998	0.8
131.08588	3.2
133.10143	6.5
135.04355	1.0
135.08006	3.9
135.11707	4.3
137.13219	1.9
143.08543	2.3
145.10153	4.8
146.07240	0.6
147.04378	1.2
147.08012	1.1
147.11685	3.8
147.93706	0.7
149.13249	3.7
153.68935	0.6
157.06451	0.6
157.10103	1.8
159.11682	4.5
161.09656	1.8
161.13217	3.6
163.03917	0.9
163.11096	1.0
163.14827	1.9
169.10097	0.8
171.11691	1.8
173.13254	2.8
175.07578	0.7
175.14749	2.7
177.12740	1.1
177.16371	1.2
179.14323	6.0
181.67891	0.6
185.13222	0.9
187.03918	2.5
187.14812	3.7
189.01808	1.3
189.16371	4.4
191.03455	1.1
191.17906	1.7
197.13217	0.6
199.14806	1.4
201.12637	0.8
201.16396	2.2
203.03394	6.1
203.07036	12.9
203.17929	1.9
205.15849	1.3
205.19566	0.6
207.02936	0.9
208.84218	0.6
211.07545	0.7
213.05386	1.2
213.16414	1.0
215.07043	2.1
215.17973	2.1
217.08566	1.0
217.15813	0.7
217.19540	1.4
219.17482	1.2
227.07025	2.9
227.18015	0.8
229.19493	1.1
231.06512	1.9
239.06976	1.0
239.17841	1.1
241.19667	0.8
243.21129	0.8
245.08092	49.8
246.08430	1.2
249.07538	1.8
255.21063	0.7
257.08026	3.4
261.09354	0.7
266.09515	0.7
267.10275	0.8
269.04453	1.8
269.22766	0.9
278.05734	0.9
279.10214	0.6
287.05450	1.5
289.08627	0.8
293.11700	0.8
303.10107	2.0
307.09518	1.0
321.07980	0.7
321.11148	3.5
327.26843	1.1
331.09665	1.9
331.26300	3.3
334.08456	0.8
337.10681	1.1
349.10687	61.0
350.11066	2.8
355.11917	1.4
367.11771	23.0
367.24826	0.7
368.12021	0.8
387.25278	0.8
387.32611	1.3
405.17001	9.7
405.35190	3.1
406.17447	0.8
423.18018	50.7
423.31171	12.8
423.36246	11.6
424.18231	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	423.1799
Annotation	8-prenylluteone
Peak:m/z	Relative Intensity
70.80096	0.3
70.80466	0.4
81.03385	0.7
89.03916	0.2
107.04978	0.4
109.02854	1.9
117.03333	0.5
121.02860	0.2
123.04381	0.3
131.08565	0.2
135.04422	1.5
137.02324	1.5
139.03838	0.2
147.11560	0.2
153.06941	0.6
159.04424	0.5
167.03342	0.2
177.01817	2.1
179.14183	0.2
181.06512	1.1
187.07446	0.2
189.05608	0.2
195.02876	8.8
199.24838	0.2
209.05882	0.5
213.05513	1.6
227.07030	1.2
229.05026	0.2
237.05450	0.5
239.07013	0.4
255.06467	0.9
265.04910	0.6
283.05957	0.5
293.04376	1.4
295.05923	1.8
311.05472	100.0
312.05804	2.8
331.09756	1.4
349.10678	5.1
367.11746	34.4
368.12152	1.5
423.17987	7.4
423.30817	0.5
424.18240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1798
Annotation	macarangin
Peak:m/z	Relative Intensity
53.03920	0.8
55.01864	0.3
55.05491	0.3
56.07152	0.2
64.77876	0.2
66.32948	0.2
67.05477	0.7
69.07048	0.6
70.67367	0.2
73.32147	0.2
74.65775	0.2
79.05434	0.3
81.02979	0.2
81.03410	3.5
81.07060	1.3
83.08588	0.3
91.05469	0.4
93.07027	0.6
95.04871	0.2
95.08618	1.0
98.20681	0.4
99.00836	0.2
105.07007	0.6
107.04955	1.1
107.08563	0.8
109.02872	9.4
109.06508	0.4
109.10133	0.8
110.03204	0.2
119.08575	0.7
121.02844	0.7
121.10120	0.7
123.08056	1.3
127.03870	0.2
133.10059	0.5
134.50533	0.2
135.04411	2.1
135.08005	0.3
135.11626	0.4
139.89084	0.2
145.06494	0.2
145.10059	0.3
145.92256	0.2
147.11670	0.3
149.02344	0.6
159.11671	0.4
167.03458	0.4
177.00258	0.4
177.01814	8.0
177.16338	0.3
179.14307	1.9
181.06482	1.3
183.04352	0.2
195.02879	39.3
196.03206	1.1
197.05960	0.5
205.15964	0.2
209.05981	0.9
211.03876	1.6
225.05492	0.4
237.05400	1.3
241.05040	0.7
260.38989	0.2
265.04916	0.3
280.72141	0.2
293.04416	76.0
294.04779	2.8
295.05820	0.2
311.05472	100.0
312.05823	4.2
331.26285	0.9
341.33841	0.2
349.27472	0.3
367.11740	59.0
368.12112	2.7
405.35165	0.2
423.18027	12.5
423.31018	3.6
423.36426	0.6
424.18390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1799
Annotation	Vogelin H
Peak:m/z	Relative Intensity
55.01874	0.6
55.05503	1.6
57.03450	0.4
57.07074	0.6
65.03957	0.5
67.05503	4.7
68.13062	0.3
69.03429	0.5
69.07079	1.5
69.47453	3.3
71.05018	0.5
71.08664	0.4
79.05493	2.8
81.03414	0.7
81.07054	4.6
81.07511	0.4
83.08630	0.8
91.05470	3.4
92.19996	0.4
93.07033	3.7
93.89059	0.3
95.04978	0.6
95.08597	4.2
97.02881	4.4
97.12963	0.3
99.04453	2.4
100.15994	0.3
105.07031	2.2
107.04980	1.3
107.08591	2.8
109.02896	1.0
109.06516	0.8
109.10153	2.5
111.11716	0.4
115.05504	0.6
117.06994	2.1
119.04963	1.1
119.08570	2.1
121.02896	1.8
121.10137	2.2
123.08102	1.7
123.11716	0.9
127.03915	1.3
129.07021	1.1
131.08548	1.7
133.10155	1.6
135.04445	0.5
135.08115	0.7
135.11664	1.6
141.07047	0.7
145.04977	0.6
145.06470	0.7
145.10144	1.1
147.11713	1.5
149.09564	0.3
149.13306	1.1
152.66795	0.3
153.06946	0.5
157.06523	0.9
157.10112	0.4
159.11702	1.1
161.13263	1.0
163.14832	0.8
169.06506	0.5
171.04408	0.8
173.13290	0.9
175.14784	0.6
177.01823	0.6
179.03362	0.3
179.14322	2.8
181.06561	0.4
185.05998	1.5
187.14922	0.4
189.01857	0.7
189.05487	1.7
189.16370	0.6
195.02940	1.6
195.08061	0.4
199.26256	0.3
203.06895	0.8
203.17949	0.5
204.09360	0.3
205.15904	0.3
206.82637	0.4
207.02927	0.6
213.05496	2.3
215.08467	0.6
215.17917	0.5
218.07388	0.4
219.11662	0.5
225.05470	0.4
229.10138	2.2
231.06444	1.2
231.08182	1.5
232.08806	5.2
233.09589	0.6
242.07198	0.4
247.11220	1.4
250.31084	0.4
251.07066	0.5
257.09546	0.8
259.07364	0.6
260.08319	2.4
261.09030	0.6
261.22177	0.9
269.04599	0.4
275.10672	3.7
275.20279	0.4
279.06488	0.4
283.06027	0.5
285.09433	0.5
289.08618	0.7
291.06476	0.3
292.07339	0.6
293.08029	0.5
295.05997	24.9
296.06503	0.8
303.10129	12.6
304.10419	0.5
305.08090	0.6
306.08841	0.9
307.05991	2.8
307.09628	2.9
309.07697	0.6
311.05469	0.4
320.06946	0.6
321.07611	0.9
321.11218	0.5
331.09622	51.9
331.26395	1.3
332.10037	1.8
333.07455	2.0
334.08286	2.2
349.10675	100.0
350.11111	4.5
351.12305	2.2
367.11926	1.9
405.16940	37.2
406.17236	1.4
409.38809	0.4
423.18021	1.3
423.31107	4.7
423.36285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90053	0.6
55.05509	1.8
56.05029	14.5
56.96535	0.6
57.07088	0.6
58.06593	1.7
60.04520	0.6
61.02930	0.6
67.05499	1.3
69.03426	2.6
69.07058	4.1
69.72399	3.9
70.06589	6.7
71.05003	0.9
72.08150	4.3
73.02898	0.8
74.06073	22.0
79.05525	0.8
81.03410	1.9
81.07038	1.1
83.04980	4.2
84.04510	3.5
84.07693	0.6
84.08138	3.3
85.02893	5.2
85.04020	5.6
85.06577	0.6
86.09698	7.7
87.04461	0.8
91.05475	0.9
92.04984	0.7
93.07049	0.6
94.06553	3.8
95.04980	0.7
95.08602	0.8
96.04478	1.5
96.08128	3.9
97.02875	2.6
98.06042	1.4
98.09681	2.6
98.20856	1.2
98.97595	1.0
99.04495	0.8
102.03768	0.8
102.05522	1.1
102.29418	0.6
103.05496	0.8
105.06992	0.9
107.04930	0.9
107.08578	1.3
108.08102	0.6
109.02864	1.7
109.10146	1.9
109.87328	0.5
110.06033	3.3
110.07101	0.6
112.07580	0.8
113.10751	5.7
119.04915	0.8
120.04797	0.8
120.08114	0.7
122.09673	0.9
123.04424	1.5
124.07576	1.6
124.11222	2.8
126.05510	1.1
127.03925	4.1
130.03206	1.5
133.06509	0.8
134.09624	0.7
134.99603	0.7
137.05980	1.2
138.05489	100.0
139.03958	1.4
139.05768	1.2
140.03346	0.8
140.07063	1.0
141.10210	13.8
142.08658	1.3
145.05031	0.8
146.06004	2.1
147.04417	5.3
148.07498	0.9
150.09108	0.7
152.10712	3.3
160.07574	0.7
161.05922	0.7
164.07063	1.1
167.07019	3.4
168.10201	1.0
169.09630	1.0
169.13365	13.8
172.11247	1.1
183.14886	1.4
185.12939	0.7
187.10759	6.4
188.10783	0.9
189.10191	3.0
190.08571	0.7
193.08556	0.8
196.09715	0.8
197.12862	1.3
198.09151	2.2
198.11093	1.1
200.10718	3.7
211.14342	0.7
212.10664	0.8
213.12320	1.6
215.13881	35.6
216.10110	1.2
218.11821	0.9
233.13156	14.3
237.02792	0.9
241.08510	0.9
243.14902	6.0
244.09648	0.8
252.10590	0.7
261.12347	23.7
261.15900	11.7
262.10855	1.3
279.13708	33.7
280.13922	1.0
310.17578	0.8
405.16437	0.9
423.17392	54.2
424.17712	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	1.1
57.94175	0.5
58.99579	6.0
61.02919	0.9
65.03935	0.7
67.05218	0.6
67.05492	6.5
69.03419	3.6
69.06725	1.1
69.07064	16.3
70.06569	1.0
71.06262	1.4
71.06602	1.0
72.08158	3.1
74.28907	0.6
76.02205	2.5
81.03384	2.4
85.01074	0.6
85.02415	0.9
85.02890	9.9
86.98970	0.5
89.10775	0.8
93.07052	0.9
94.12301	0.6
94.39449	0.5
95.04946	2.1
97.02868	3.7
98.09683	9.7
99.02661	2.7
99.04439	0.8
101.04234	49.1
102.03761	0.6
109.02860	2.2
110.06013	1.5
110.07179	0.7
112.07582	2.5
119.04957	1.0
122.02663	0.7
124.11157	1.0
126.05573	0.9
127.02123	4.7
127.03893	2.0
127.05746	2.1
129.03671	2.9
138.05437	1.1
140.07056	8.1
145.05005	0.7
147.04385	7.9
152.05325	0.8
155.01595	1.9
170.06328	2.4
172.04259	100.0
180.04843	1.6
182.08089	3.1
194.06261	0.8
197.07436	2.1
198.05830	5.1
202.87973	0.6
206.08173	1.1
206.44971	0.6
214.05299	11.4
215.08440	5.0
218.04637	0.7
218.11780	2.6
226.63083	1.9
235.14421	4.1
238.05255	1.5
240.06821	1.0
244.06354	7.2
257.09573	0.7
261.09033	15.5
261.15970	15.2
284.11356	1.2
286.07477	1.5
288.34796	0.7
302.12222	0.8
303.10117	1.6
310.29620	0.6
334.09393	1.9
339.10159	1.4
342.10126	1.5
360.11246	2.1
377.13718	8.3
401.60004	0.6
423.14307	78.1
423.20901	6.2
424.14725	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	423.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.05499	1.2
57.03415	0.6
59.04977	0.4
61.02920	0.6
69.03431	2.9
69.49415	1.9
69.49837	0.8
70.06570	1.4
71.04978	0.4
72.08157	2.3
73.02903	0.5
78.04685	0.4
79.05476	0.8
80.04992	1.1
81.03390	0.9
81.07060	0.6
83.04976	0.6
83.08616	0.6
84.04495	0.4
84.08118	0.8
84.46097	0.3
85.02889	4.4
85.06522	0.5
86.09698	0.5
87.04456	1.0
89.11205	0.3
91.05474	7.0
92.05798	1.1
93.07011	0.4
95.04352	0.3
95.04948	1.0
97.02887	2.5
98.06055	0.5
98.97569	1.1
99.04440	0.4
100.07596	0.6
103.05450	0.8
105.07023	1.2
107.04938	1.2
107.08601	0.6
109.02888	0.9
110.06038	0.5
114.10282	0.5
115.03922	0.6
115.08721	0.4
116.98598	0.7
117.07038	0.5
119.04932	0.7
119.08540	0.4
120.08039	0.6
121.10113	0.4
122.03691	0.4
122.05988	0.5
123.04407	1.0
123.08016	0.4
124.05147	0.5
125.05982	0.4
126.05490	2.6
127.03935	1.6
131.04913	0.7
131.08536	0.6
132.04491	0.5
132.85957	0.3
133.05011	0.4
133.06467	0.7
134.05986	0.7
134.99611	0.4
136.07576	0.6
137.05879	0.4
143.00154	0.4
145.05096	0.4
146.05991	3.8
147.04395	1.8
147.06796	2.1
149.07404	0.6
151.07510	0.7
152.07045	0.3
158.06026	0.9
160.07576	0.4
161.05959	1.2
163.03902	1.1
163.07526	2.1
167.07033	14.3
168.07436	0.5
172.07603	0.4
174.09142	1.3
175.07477	0.3
177.00681	0.4
177.05405	0.4
179.07008	0.5
181.08511	0.5
182.09685	0.4
184.07631	0.5
185.08347	0.6
193.08562	2.3
198.09064	0.5
200.06923	0.4
200.10667	3.9
202.12265	2.0
209.15324	1.8
219.01680	0.4
223.09081	0.6
229.09882	0.3
237.02809	0.8
237.11363	0.3
243.11301	2.4
244.11986	0.9
261.12317	100.0
262.12650	3.6
263.40002	0.3
273.15601	0.3
293.11557	0.8
323.12631	0.6
327.07428	0.7
355.15393	0.4
405.16486	0.4
410.14359	0.3
423.17365	5.6
423.23129	0.5
424.16986	1.0
441.10608	1.4
442.11292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
54.52413	2.9
55.01856	8.0
55.05500	9.8
55.81406	2.9
63.76838	3.3
67.05491	14.8
68.99778	6.4
69.03411	13.4
69.07049	12.3
75.59414	2.8
79.05495	16.7
81.03408	32.2
81.07066	29.1
82.07386	3.5
83.08614	7.5
85.02898	31.9
85.06570	3.2
85.72199	3.1
87.00816	11.4
91.05469	23.2
93.07056	20.6
94.07353	3.4
95.01299	5.8
95.04955	13.9
95.08600	36.9
97.02875	20.8
97.10165	4.0
103.05450	10.0
104.06230	3.7
105.07024	72.1
106.07349	4.9
107.04915	5.4
107.08587	30.1
109.02861	10.5
109.06499	5.5
109.10134	19.5
111.04420	8.9
115.03992	3.3
115.05460	28.5
116.06218	3.6
116.98408	2.9
117.07005	44.9
118.04172	5.2
119.04975	4.2
119.08568	30.4
121.06495	10.9
121.10167	18.6
123.04378	5.5
123.08115	4.0
123.11675	9.0
127.03902	23.3
128.06215	6.7
129.06999	12.9
131.04890	14.6
131.08572	15.2
132.05711	8.6
133.06476	55.2
133.10126	16.0
134.10471	3.3
135.08130	4.3
135.11678	13.1
137.13264	7.5
137.57562	3.2
141.06998	9.0
143.04948	5.0
143.08539	6.4
144.05698	10.4
145.06474	52.9
145.10136	13.7
146.03635	4.8
147.04378	7.6
147.08038	12.4
147.11723	14.9
149.05945	9.4
149.13240	9.2
151.03908	4.1
151.07581	7.1
152.06215	5.0
153.06929	10.8
155.05986	4.9
155.08551	5.7
156.05804	3.2
157.06476	9.1
157.10135	9.8
158.07208	3.2
159.04428	4.6
159.08073	14.4
159.11652	10.4
160.05193	9.4
161.05980	66.5
161.13252	10.0
162.06760	11.2
163.03723	3.3
163.07497	7.1
163.14879	3.4
165.05553	5.9
165.06967	7.8
167.07040	57.7
167.08415	5.0
169.06488	9.4
171.08011	9.2
171.11591	3.7
172.05211	7.1
173.05974	22.9
173.13255	4.5
174.06732	3.9
175.07545	13.1
175.14832	6.7
176.04593	3.3
177.05437	9.2
177.09056	3.9
177.16373	8.6
178.06250	14.5
181.06496	10.1
181.08601	36.2
183.04434	4.4
183.08058	10.7
184.05177	5.0
185.05916	6.7
185.09537	4.0
185.13254	3.2
187.07536	13.4
187.14796	8.2
189.05493	18.0
189.09053	3.9
189.16331	10.5
190.06172	17.7
191.06972	18.7
191.17937	7.5
192.07759	11.3
193.08598	88.9
195.06502	29.2
195.08078	7.1
195.09926	3.8
196.05240	3.3
197.06065	7.1
198.06708	11.2
199.07530	17.5
199.14879	5.4
201.05431	10.0
201.08997	4.9
201.16371	4.1
203.06978	6.5
203.17973	8.0
204.07751	4.9
204.18161	3.3
205.08589	100.0
206.09077	5.5
207.06519	13.1
207.10179	17.2
208.07272	4.0
209.06151	3.8
209.08087	13.1
210.06808	3.5
210.08792	5.9
211.07590	8.2
213.05528	5.1
213.09027	18.1
214.06236	5.7
215.06955	19.8
215.17889	4.3
216.07759	4.1
217.08600	14.1
217.19527	3.3
219.06531	8.1
219.10135	8.8
219.17308	3.6
221.08124	19.4
223.07590	6.5
223.09596	60.7
225.05403	7.5
226.06223	7.9
227.07008	12.4
227.17863	4.2
229.05025	5.9
229.08580	6.7
230.09422	3.9
231.06554	4.6
231.10158	10.6
231.17250	3.3
232.17825	4.4
233.08095	24.1
235.09663	6.5
239.06906	4.8
240.07912	4.9
241.08536	21.3
243.06540	8.5
243.10143	6.1
245.08116	9.7
245.11742	8.2
247.09615	15.2
251.06679	4.7
251.09157	74.3
255.21210	3.7
258.08813	4.8
259.09619	11.5
269.07877	14.4
269.10410	7.0
271.09644	8.3
271.20590	5.8
273.07935	3.0
273.11121	16.3
275.09113	13.6
281.22528	3.4
283.09793	4.6
286.08344	5.6
287.08899	4.0
291.12302	16.7
301.10678	84.1
302.11142	3.6
319.11737	77.4
320.11826	3.8
337.12915	4.3
341.67911	4.1
405.11694	15.5
405.35098	5.7
422.34793	16.8
423.13080	34.0
423.18427	5.1
423.23526	17.3
423.31329	8.3
423.36935	23.9
425.37790	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	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
53.89806	0.8
55.01852	1.5
55.05265	0.9
55.05503	14.6
56.96542	2.0
57.03419	3.6
57.07059	1.3
58.06599	4.3
59.04978	2.7
61.02904	3.2
67.05479	2.7
69.03426	11.8
69.07073	4.2
70.06568	3.3
70.95923	2.5
71.04997	5.1
72.08150	8.9
73.02909	5.6
79.05482	3.1
80.67729	0.8
81.03396	6.0
81.07049	3.2
82.18307	0.8
83.04969	9.7
84.04483	1.9
84.08137	57.3
84.95988	1.0
85.02898	28.1
85.06520	3.6
86.09698	1.8
87.04447	3.2
89.06012	0.9
89.10730	1.0
89.71004	0.7
91.03951	0.9
91.05482	4.2
93.07022	3.4
95.04942	2.8
95.08574	3.4
97.02884	9.5
97.06506	2.7
97.07634	1.3
97.10128	1.5
98.06035	1.6
98.09686	1.3
98.97561	3.4
99.04449	4.3
100.11237	2.2
101.06007	34.9
102.03719	0.9
103.03918	1.6
105.07009	3.5
107.04940	6.4
107.08539	4.3
108.05296	0.9
109.02847	4.4
109.06482	1.4
109.10131	3.4
110.02384	1.0
110.97539	1.3
111.04449	1.6
111.08059	1.3
113.05986	0.8
114.10254	2.6
115.03844	0.8
116.98602	2.9
117.06963	1.1
119.04904	2.4
119.08546	7.7
120.08056	1.9
121.06472	2.2
121.10128	4.9
123.04430	1.3
123.08044	3.5
123.11674	0.9
124.03985	1.8
125.09628	1.0
127.03895	8.4
128.10709	34.3
128.98564	1.5
129.05460	1.2
131.08556	1.9
133.06429	1.4
133.10098	3.8
135.07970	1.2
135.11632	1.6
136.16403	0.8
137.05930	2.4
137.09599	2.5
138.05431	1.8
139.11160	1.8
144.10252	1.1
145.02792	1.1
145.04944	3.2
145.06380	1.5
145.10114	2.2
146.11746	27.4
146.99591	1.2
147.04420	6.8
149.07481	1.0
149.09602	2.9
151.03944	1.0
151.07555	1.9
153.05464	1.5
153.09163	1.0
158.99561	1.0
159.11621	1.8
161.09625	1.0
161.13257	2.6
163.07486	1.2
163.11177	8.6
165.00630	0.9
167.07030	11.9
168.07744	2.8
177.00677	2.3
177.05473	2.0
177.12730	4.5
179.14265	0.8
181.08546	1.1
181.12216	2.7
183.06360	1.0
187.07455	1.0
188.12819	4.8
189.12680	5.9
193.08598	1.5
195.13905	1.4
207.13750	11.3
218.11841	0.9
218.13896	1.6
219.01610	1.1
225.14815	14.5
230.13879	1.4
237.02663	2.3
243.15897	8.8
248.14900	7.2
252.57274	2.7
255.11287	0.9
261.12537	4.0
268.08188	1.0
272.14883	6.4
290.15952	41.7
291.16479	1.4
293.11627	2.3
308.17004	40.2
308.20569	2.1
309.17392	1.0
358.08081	7.9
359.08713	1.0
405.12518	1.0
422.23755	100.0
423.24054	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	422.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68770	0.3
53.03918	0.4
69.03425	1.8
69.32071	1.6
69.32492	2.2
70.03748	0.7
71.04968	0.4
78.04695	1.2
79.05485	1.5
81.07030	0.5
85.02882	1.5
91.05457	1.2
93.07039	0.5
95.04951	1.2
105.06989	0.8
106.04154	1.4
107.04945	3.7
108.05750	0.6
110.02409	0.6
111.04404	0.3
111.08127	0.3
121.02810	0.7
121.06494	0.9
122.03570	0.4
123.04416	4.8
124.05235	1.7
124.42631	0.3
125.05988	1.9
125.55158	0.3
127.03844	0.4
131.04973	0.3
133.06512	0.8
135.04399	1.3
136.05185	0.5
137.05965	2.5
139.03830	0.4
147.04410	1.0
148.04741	0.4
149.05971	1.2
151.03882	1.2
151.07437	0.4
152.04643	1.6
152.06989	0.7
153.05450	4.7
154.06207	0.8
161.05954	0.5
163.03949	0.4
167.07024	100.0
168.07808	20.1
179.07083	0.7
181.08603	2.2
182.09322	1.1
183.02963	0.5
193.08536	3.2
195.02838	1.0
196.03264	0.8
197.03369	0.7
198.03575	0.8
203.03380	0.7
210.08862	4.8
211.09622	3.6
212.10417	20.0
213.10745	0.4
221.03452	0.5
246.94574	0.4
248.05229	0.6
257.47363	0.4
264.05923	0.9
265.06042	0.7
266.06366	0.9
303.04959	0.8
317.09335	0.5
318.09601	0.5
342.09512	0.7
368.10944	0.9
384.11020	0.4
386.12003	1.1
422.14902	1.0
422.24603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.4
67.05481	1.0
69.03436	0.4
69.84135	2.5
73.14136	0.3
75.62808	0.3
78.04695	1.1
79.05478	1.2
81.07030	1.5
85.02918	0.4
91.05451	0.5
93.07026	0.8
93.23505	0.4
95.04948	0.7
95.08577	1.0
98.21539	0.4
103.05420	0.4
105.07025	1.2
106.04160	0.8
107.04945	0.8
107.08554	0.7
109.10134	0.7
114.07095	0.4
119.08549	0.5
121.06478	0.7
121.10139	0.4
123.04411	3.1
124.05196	1.0
131.08525	0.4
133.06386	0.4
133.10089	0.7
137.05949	0.5
145.10110	0.5
149.05971	0.6
151.03897	0.8
152.04654	1.4
161.05945	0.8
167.07024	100.0
168.07359	1.2
181.08577	0.5
193.08574	3.1
211.09619	7.7
266.99695	5.0
349.10583	0.5
353.03375	0.9
404.15613	1.4
405.16971	0.4
422.07275	2.0
422.17407	1.9
422.25937	0.9
422.34818	1.3
427.30823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01871	0.9
55.05508	20.4
55.79773	0.8
57.03425	1.6
57.07074	21.5
67.05500	7.7
68.05828	0.9
69.03445	1.3
69.07066	30.2
71.08632	12.7
71.08994	1.1
71.37354	0.7
71.64331	0.9
79.05486	3.9
81.07054	17.2
83.04978	33.5
83.08616	16.4
85.10183	8.1
91.05494	3.5
93.07037	9.2
95.04995	2.0
95.08600	24.5
97.06554	1.1
97.10168	10.1
105.07040	6.6
107.08589	8.1
109.06527	5.8
109.10162	12.2
111.08067	4.6
111.11720	5.4
119.08561	9.8
121.06539	1.9
121.10146	7.6
123.08073	9.4
123.11704	4.9
125.05992	1.2
125.13324	2.3
127.07623	0.8
131.08606	1.6
133.10115	8.0
135.08034	7.3
135.11739	3.1
137.05981	15.8
137.09619	4.3
137.13289	2.3
139.07539	5.8
140.80405	0.7
141.05489	0.8
143.08598	1.6
145.10143	2.4
147.08051	1.1
147.11671	4.8
149.09613	3.8
149.13281	2.0
151.07552	6.0
151.11172	3.4
151.14841	0.8
153.09152	1.6
155.07014	6.5
156.09438	0.8
157.10153	1.6
159.11761	2.4
159.83777	0.7
160.08890	1.0
161.09619	18.0
161.10890	1.0
161.13268	6.5
163.11252	1.1
163.14832	1.7
165.09155	1.8
165.12740	4.5
165.16473	0.8
171.11751	3.2
172.85497	0.8
173.13306	1.1
174.10533	0.9
175.11197	9.2
175.14886	2.6
177.12775	3.4
177.16487	1.1
179.10703	3.5
179.14325	2.4
181.12253	1.2
185.13327	0.9
189.12714	11.3
189.16412	1.4
191.14323	1.8
191.17943	1.0
193.12285	2.6
199.14926	1.2
203.14371	1.6
203.17973	1.1
205.15854	1.0
207.13811	3.6
213.16533	0.8
217.15974	1.2
221.15450	1.3
231.17419	1.1
245.19046	0.8
259.20795	1.2
291.26788	0.9
309.25839	1.4
347.29593	1.2
357.35382	1.7
367.33585	1.1
375.36227	24.2
375.40884	1.6
376.36777	1.6
385.34650	13.6
390.88947	0.9
403.35736	62.0
404.36142	4.3
421.36835	100.0
422.37250	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	421.3672
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03951	0.9
55.01869	1.0
55.05509	18.0
56.52054	0.7
57.03431	2.0
57.07077	16.6
67.05502	7.4
69.03414	1.6
69.07067	25.4
71.04974	1.0
71.08629	13.0
71.44363	1.7
79.05485	3.8
81.07057	15.5
82.76961	0.8
83.04978	29.3
83.08617	12.5
85.10194	6.2
91.05457	4.4
93.07043	8.2
95.04966	1.9
95.08601	22.6
97.10162	8.9
105.07030	5.7
107.08610	9.8
109.06529	5.9
109.10155	10.3
111.08073	4.5
111.11724	4.3
117.07055	1.2
119.08566	8.6
121.06486	1.6
121.10155	7.5
123.08065	7.9
123.11674	4.5
125.05975	1.3
125.13268	1.0
127.03928	1.1
127.07577	1.2
131.04785	0.8
131.08543	1.3
133.10126	8.0
135.08060	5.9
135.11684	4.5
137.05971	19.0
137.09627	3.9
137.13260	2.8
139.07533	6.0
141.05438	1.2
143.08521	1.5
145.10143	2.4
147.08109	1.2
147.11694	4.3
149.09636	2.3
149.13260	2.1
151.07568	4.5
151.11186	2.6
155.06998	7.7
157.10085	2.5
159.08063	1.1
159.11749	2.1
161.09621	11.8
161.13260	5.6
163.11125	1.1
163.14845	1.7
165.09108	2.7
165.12741	4.4
167.10683	1.2
169.08809	1.1
171.11719	2.0
173.13321	2.5
174.10344	1.1
175.11182	6.9
175.14850	2.5
177.12805	1.6
179.10660	4.2
179.14319	3.3
187.11191	0.9
187.14864	2.5
189.12720	7.0
189.16380	2.2
191.17911	1.9
193.12254	3.6
193.16003	1.5
195.13786	1.2
203.14349	2.6
203.17976	1.2
207.13817	2.5
211.14738	0.9
215.14326	1.8
221.15421	1.5
231.17549	0.9
235.20387	0.9
236.38879	0.8
283.20581	1.6
319.30304	1.1
326.88007	0.8
327.26813	2.3
347.29077	1.0
357.35211	1.2
375.36197	15.8
376.36313	1.4
385.34604	8.4
403.35742	30.2
404.35971	1.5
421.36880	100.0
422.37378	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	421.3677
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
55.05506	5.0
57.07063	3.2
67.05499	6.9
68.47752	0.7
69.07066	14.4
70.79404	2.1
71.08624	2.2
77.11076	0.7
79.05494	1.6
81.07040	5.4
83.04971	1.1
83.08620	5.7
83.79953	0.8
85.10152	1.1
91.05481	5.0
93.07042	20.5
95.04976	1.2
95.08605	17.4
97.06558	0.9
97.10144	3.0
105.07021	2.1
107.08579	5.6
109.06519	2.1
109.10143	4.1
111.08087	11.1
111.11742	1.1
114.85587	0.7
119.08586	3.4
121.06490	1.1
121.10151	2.4
123.08044	1.0
123.11710	1.7
125.09657	0.9
127.07567	2.3
131.08534	1.0
133.10139	4.4
135.08075	1.5
135.11700	2.7
137.05972	2.1
137.09584	0.8
137.13290	1.0
138.06343	1.3
139.07529	11.9
145.10121	1.8
147.11688	1.7
149.09647	1.3
149.13246	1.1
151.07474	0.8
151.11198	1.2
152.07788	0.7
153.09097	8.0
157.08612	3.6
157.10034	1.5
159.11685	2.2
161.13258	1.8
163.14761	0.8
165.09093	1.6
167.10654	4.8
171.11653	0.7
173.13280	2.2
175.14801	1.7
181.12199	4.4
187.14799	0.9
189.16354	1.9
191.17889	1.3
193.12227	1.2
195.13849	5.2
207.13852	2.5
209.15440	2.3
210.30981	0.9
217.15933	3.3
227.14977	0.8
237.18521	1.1
251.20096	1.0
263.20300	0.9
265.21707	2.0
267.06171	0.8
277.21396	0.9
347.92068	0.9
385.34515	0.9
403.35715	100.0
404.36142	8.5
421.25903	1.0
421.34958	22.2
422.35135	2.2
442.80109	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3673
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03933	0.9
53.50998	0.3
55.01860	2.1
55.05259	0.6
55.05510	8.4
57.07075	4.7
67.05501	10.5
69.03430	0.6
69.07065	13.0
69.69129	1.4
69.69547	0.9
71.08624	3.3
75.57178	0.4
79.05486	1.1
81.07047	2.7
81.95885	0.3
83.04962	0.8
83.08617	7.7
85.06526	0.7
85.10183	1.3
90.66248	0.4
91.04955	0.5
91.05476	5.5
91.05998	0.6
93.07040	36.8
94.07382	0.7
95.04959	2.3
95.08601	23.6
96.08972	0.5
97.06515	0.9
97.10167	4.3
98.21413	0.8
105.07024	1.3
107.08585	4.1
109.06528	1.0
109.10157	2.7
111.08073	19.1
111.11706	1.7
119.08595	1.2
121.06502	3.0
121.10146	1.3
123.08076	0.7
123.11716	0.8
125.06007	0.5
125.09631	1.5
125.13259	0.8
127.07560	3.5
133.10150	0.5
135.08057	0.4
135.11723	0.9
137.09601	1.2
139.07532	18.4
139.11156	0.4
140.07835	0.6
147.11749	0.5
149.09650	0.5
151.11180	1.5
153.09105	11.5
157.08557	2.0
164.83052	0.3
165.09134	0.8
165.12683	0.5
167.10675	6.7
179.10657	0.8
181.12224	5.2
193.12259	1.2
195.13814	4.6
207.13771	2.2
209.15358	2.3
221.15292	0.7
223.16904	1.8
235.16861	0.8
237.18475	0.7
249.18477	0.6
251.20120	1.3
263.20032	0.5
265.21677	1.4
275.56204	0.4
277.21747	0.5
279.22958	0.8
291.23145	0.6
307.26434	0.4
321.27930	0.8
323.81360	0.3
333.28485	0.4
347.29367	0.5
403.35693	17.1
404.36075	1.1
421.36746	100.0
422.37085	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	421.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71437	1.2
53.03927	1.6
55.01872	1.8
55.05510	13.3
57.03448	2.0
57.07068	8.1
58.65586	1.3
63.16334	1.5
67.05509	14.8
69.03432	1.5
69.07067	19.1
71.08627	5.8
71.56579	2.8
76.39964	1.1
79.05482	3.1
81.07052	9.7
83.08613	11.8
85.10194	2.7
91.05483	7.7
93.07041	44.2
94.07409	1.5
95.04965	4.6
95.08601	28.1
96.81813	1.2
97.10159	6.4
105.07032	3.5
107.08617	8.5
109.06551	3.0
109.10162	5.9
111.08082	18.8
111.11727	3.8
119.08592	4.3
121.06533	2.8
121.10161	3.2
123.08097	4.3
123.11719	2.8
127.07576	4.1
129.07056	1.5
131.08565	1.7
133.10155	3.6
135.07990	1.6
135.11734	1.5
137.09639	3.9
139.07532	18.6
141.05585	1.5
145.10191	1.8
147.11874	1.4
149.13231	1.6
151.11198	7.7
153.09088	11.1
157.08656	5.8
157.09872	1.3
161.13298	2.7
165.09138	2.6
167.10742	4.2
179.10703	3.4
181.12251	6.9
187.14998	1.4
193.12273	3.0
195.13803	10.0
207.13817	9.5
209.15372	1.8
221.15359	1.9
235.17076	1.9
260.42200	1.4
277.21793	2.0
309.25800	1.7
321.28088	1.7
391.35992	1.6
403.35760	49.7
404.36188	4.3
421.36874	100.0
422.37180	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	421.3672
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03937	1.1
55.01865	1.4
55.05511	7.3
57.03428	0.8
57.07076	4.4
67.05502	10.2
69.03432	0.7
69.06716	0.8
69.07067	12.2
71.08620	2.3
71.14982	0.9
71.15346	0.7
79.05478	1.4
79.84068	0.4
81.07036	2.2
83.04990	0.6
83.08617	6.3
85.06545	0.6
85.10173	1.2
91.05473	5.6
93.07040	32.6
94.07368	0.5
95.04980	2.5
95.08602	18.7
97.06507	0.9
97.10159	3.2
105.07020	0.7
107.08598	3.9
109.10138	1.9
111.08073	16.8
111.11696	1.3
119.08581	0.8
121.06526	2.4
121.10142	1.5
123.08057	1.1
123.11692	0.8
125.09642	1.4
127.07543	2.9
131.08693	0.4
133.10136	0.5
135.08025	0.8
135.11696	1.1
137.09619	0.8
137.13222	0.5
139.07530	16.6
140.07822	0.5
147.11684	0.5
149.09641	1.0
151.11189	0.9
153.09105	9.9
157.08641	2.9
163.11172	0.7
165.09079	0.6
167.10672	6.1
168.10931	0.4
179.10587	0.8
181.12212	5.5
195.13817	4.2
207.13782	1.7
209.15321	2.2
221.15347	0.7
223.16954	1.7
237.18507	0.7
251.20073	1.0
265.21738	1.5
268.13736	0.4
277.21542	0.5
279.23145	0.6
347.88159	0.4
403.35696	19.5
404.36115	1.8
421.36758	100.0
422.37061	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53420	0.6
53.03935	0.6
55.05264	0.8
55.05507	11.5
55.05759	0.5
57.03441	0.9
57.06825	0.7
57.07074	11.2
58.86696	0.6
60.81595	0.6
65.03929	0.6
67.05495	5.2
67.69030	0.6
69.03419	1.1
69.06721	1.1
69.07066	15.8
70.71976	0.5
71.08628	8.6
71.12898	1.2
71.13216	0.6
79.05477	2.3
81.07055	9.5
83.04978	20.5
83.08602	9.6
85.10164	4.6
85.95395	0.6
89.52804	0.6
90.72580	0.6
91.05466	2.0
93.07036	5.0
95.04949	1.1
95.08598	14.8
97.06496	0.8
97.10158	6.3
105.07023	4.4
107.08585	6.2
109.06497	3.6
109.10148	8.1
111.08089	3.0
111.11720	3.1
119.08575	6.3
120.47473	0.5
121.06512	1.0
121.10131	4.2
123.08060	5.2
123.11652	2.8
125.05910	0.6
125.13206	1.1
127.03876	0.6
131.08533	1.5
133.10100	5.5
135.08054	3.3
135.11646	2.8
137.05957	12.9
137.09583	1.9
137.13246	1.9
139.07512	3.6
145.10062	1.9
147.08017	0.9
147.11661	2.7
149.09601	1.3
149.13228	1.5
151.07486	3.2
151.11153	1.9
151.14818	0.7
155.07037	5.5
157.10115	1.0
159.11668	2.2
160.08771	0.7
161.09618	8.3
161.13220	3.6
163.14795	0.7
165.09088	1.8
165.12685	1.6
167.11989	0.6
169.08636	1.1
171.11649	1.7
173.13278	1.9
174.10313	0.7
175.11194	4.7
175.14844	1.6
177.12718	1.2
179.10611	2.6
179.14253	1.6
187.14810	0.8
189.12717	5.5
189.16364	1.4
189.81508	0.6
191.14351	0.7
191.17924	0.8
193.12282	1.7
195.13803	0.7
203.14278	1.6
203.53000	0.6
207.13753	2.5
207.17400	0.7
215.17952	0.7
217.15895	1.1
221.15479	0.7
231.17383	1.2
241.19215	0.6
245.18968	0.9
283.20581	0.7
309.25989	0.8
313.25275	1.0
327.26733	3.6
357.35132	1.2
367.33502	0.7
375.36166	13.4
385.34561	6.5
393.31326	1.1
403.35709	31.0
404.35873	1.8
421.36841	100.0
422.37177	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	421.3672
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05500	15.9
57.07071	20.4
58.26695	1.7
59.06119	3.9
67.05503	8.2
69.07063	30.4
69.38992	20.1
71.08627	15.7
71.92130	1.8
79.05488	4.3
81.07063	17.0
83.01321	9.2
83.04965	2.0
83.06120	2.3
83.08605	23.0
83.09055	2.8
83.58393	2.1
85.02916	5.2
85.07677	5.4
85.10186	6.3
91.05487	3.1
93.07056	5.7
95.06081	2.0
95.08602	13.1
95.23443	2.1
97.10184	12.8
98.20763	3.1
105.07027	5.2
107.08599	7.0
109.06519	6.3
109.07640	2.8
109.10154	13.3
110.07192	6.7
111.08097	4.6
111.09225	3.6
111.11736	7.9
112.08745	3.7
113.05983	3.8
119.08585	7.4
121.06517	3.1
121.10152	6.6
123.08084	11.5
123.11729	6.5
124.08728	2.5
125.05987	12.3
125.08238	2.7
125.09621	2.8
133.10178	4.5
134.26880	1.9
136.08702	2.2
137.05957	13.7
137.09619	3.5
137.13309	2.2
138.10280	2.5
139.07530	30.2
145.10094	2.1
147.11722	3.7
149.08336	3.1
149.09608	2.7
151.07529	9.8
151.09821	2.9
151.11172	4.0
153.09148	3.2
155.06996	3.3
159.11734	2.8
161.13290	4.3
163.09840	2.0
165.09108	3.2
165.12804	2.7
173.13263	2.8
175.09779	2.3
177.11377	2.0
179.10632	4.1
179.14272	2.9
181.12280	3.6
190.10899	2.3
193.12268	5.5
193.15953	2.1
195.13748	4.1
199.14725	2.5
207.13866	6.2
217.16002	3.3
221.15381	3.3
229.27472	1.7
235.17264	2.2
249.18636	1.8
265.21365	1.9
277.21585	2.6
280.66830	1.9
347.28989	2.2
347.32910	2.1
375.36359	3.0
385.34641	3.0
403.35706	71.2
404.36224	2.1
421.36801	100.0
422.36969	5.4
442.82532	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	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.83318	0.8
53.90299	0.7
55.05504	9.3
57.03411	0.7
57.07069	3.6
59.05016	1.1
65.03919	1.0
67.05499	14.8
69.03441	1.6
69.07062	12.5
70.45016	1.2
71.04979	1.1
71.08645	0.9
79.05486	11.0
81.07051	39.4
83.04951	1.9
83.08611	7.1
85.02902	1.8
91.05474	11.9
93.07037	25.8
95.04955	2.9
95.08598	60.9
96.25605	0.7
97.02884	1.0
97.06525	2.4
97.10172	3.6
103.05488	1.0
105.07022	36.5
107.08588	39.4
108.08955	0.8
109.06532	5.0
109.10149	31.1
111.08057	2.0
111.11705	1.6
115.05450	1.0
117.06979	5.6
118.02288	0.8
119.08572	45.9
120.08898	1.1
121.06500	2.1
121.10133	32.1
123.08061	3.1
123.11698	14.0
125.09614	1.8
127.03873	1.5
128.06181	1.1
129.06970	2.2
131.08560	20.2
133.10120	31.1
135.08047	1.8
135.11678	18.6
137.09627	2.1
137.13222	10.3
142.07767	2.9
143.08530	8.8
144.09325	1.9
145.09016	1.6
145.10109	23.4
147.11673	28.3
149.09642	1.8
149.13251	15.7
151.11166	1.0
151.14815	1.9
155.08525	1.6
156.09320	4.0
157.10115	13.4
158.10901	2.0
159.11681	25.7
161.09680	0.9
161.13248	20.8
163.11102	1.6
163.14812	7.4
167.06999	1.3
169.10117	2.4
170.10950	1.6
171.11673	12.4
172.12411	1.1
173.13251	26.2
175.11195	3.4
175.14821	12.5
177.12721	10.5
177.16354	7.8
179.14320	4.2
179.17789	0.9
181.10043	0.8
183.11743	3.7
185.13277	7.5
186.13922	0.8
187.14807	12.6
189.12741	4.0
189.16374	19.6
190.16690	0.9
191.14301	3.9
191.17935	26.6
193.15868	1.7
195.11687	1.2
197.13268	3.2
199.14803	8.9
201.12779	1.7
201.16354	14.3
203.14297	8.2
203.17938	37.4
204.18248	1.0
205.15924	1.7
205.19533	2.2
209.13164	1.5
211.14778	3.4
213.16388	9.7
215.14345	2.5
215.17975	7.3
217.15889	5.1
217.19409	4.6
219.17404	1.1
223.14807	1.1
225.16388	2.4
226.17084	1.1
227.17935	2.7
229.15886	2.3
229.19475	7.2
231.17419	16.9
231.20924	4.8
237.16426	1.5
239.17920	1.6
241.15860	1.5
241.19431	4.1
243.17447	3.8
243.21059	5.5
245.19141	1.2
245.22617	1.0
251.17801	1.1
253.19612	1.9
255.17490	0.8
255.21025	2.4
257.19080	3.4
257.22571	2.0
267.21039	1.3
269.19107	3.9
269.22577	4.4
271.20535	4.3
283.20572	4.4
283.23969	1.5
285.22131	1.6
287.36261	0.8
293.22507	1.3
297.22287	3.8
309.22394	0.9
309.25912	0.9
311.23691	1.2
325.25119	1.7
337.25296	1.2
339.26843	1.3
340.17523	1.0
341.17911	1.2
365.28336	1.0
378.29086	1.8
379.29977	4.0
393.35181	4.1
403.33551	7.3
404.34219	0.9
421.34622	100.0
422.35181	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	421.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05497	7.2
62.07394	1.5
62.77604	1.6
67.05502	15.8
69.07059	13.1
70.69103	5.5
79.05488	9.3
81.07053	36.4
83.08622	8.6
91.05444	11.6
93.07037	25.8
95.04941	1.9
95.08602	57.2
97.06525	1.8
97.10172	4.1
103.55540	1.5
105.07023	37.3
107.08586	37.9
109.06506	7.2
109.09449	3.1
109.10151	31.3
117.07021	4.4
119.08573	42.0
121.10131	34.6
123.08092	2.0
123.11690	13.4
129.06992	2.3
131.08530	18.4
133.10129	26.2
135.11696	19.9
137.13272	12.1
142.07759	2.4
143.08566	9.7
145.10120	24.4
147.11674	25.7
147.31041	2.1
149.09622	3.3
149.13257	16.5
151.14767	3.1
155.08546	1.9
157.10135	12.7
159.11694	24.6
161.13258	19.0
163.11131	2.5
163.14818	5.8
167.07091	2.0
169.10124	3.1
171.11674	12.8
172.53926	1.8
173.13240	24.6
175.11171	3.0
175.14815	13.2
177.12756	7.3
177.16409	7.0
179.14323	2.9
183.82950	1.8
185.13287	8.7
187.14752	11.3
189.12729	2.9
189.16362	22.2
191.14314	5.2
191.17932	28.5
197.13286	4.5
199.14810	6.0
201.12714	2.8
201.16360	12.4
203.14323	6.8
203.17949	37.0
213.16382	10.1
215.18002	8.1
217.15887	5.6
217.19571	6.1
225.16394	2.4
226.17113	2.1
227.17986	4.3
229.15916	3.5
229.19574	8.8
231.17441	17.0
231.21141	5.4
241.19496	4.3
243.17448	2.7
243.21179	2.9
245.22600	2.2
255.21184	4.4
257.19016	2.1
269.18973	2.5
269.22641	4.7
271.20660	3.1
279.20935	2.0
283.20569	3.2
295.23944	1.8
320.06879	1.8
370.93179	2.0
377.32297	2.7
379.30112	4.7
393.34796	4.3
403.33704	5.4
421.16904	2.3
421.22247	3.8
421.34631	100.0
422.35052	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	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.6
57.07069	5.6
62.15649	3.2
62.76321	3.1
67.05508	10.3
69.07070	19.4
70.80335	8.7
71.52685	3.1
79.05488	5.2
79.59647	2.9
81.07070	22.9
83.08604	8.1
84.67777	3.2
87.00602	3.3
91.05452	8.1
93.07033	16.8
95.08602	35.9
97.10203	3.9
105.06986	13.3
107.08588	14.7
109.06481	4.5
109.10170	18.4
111.08069	6.1
111.11732	3.8
119.08560	20.2
121.10132	20.9
123.07975	3.7
123.11696	9.0
125.05967	4.3
131.08597	6.0
133.10109	14.2
135.11708	10.1
137.09618	7.1
137.13243	7.4
139.07553	4.4
144.09421	3.7
145.10135	9.3
147.11658	9.2
149.09636	9.8
157.10097	6.3
159.11702	17.4
161.13229	9.4
171.11774	6.3
173.13246	29.7
175.11192	6.4
175.14853	13.9
177.16452	7.2
185.13211	5.5
187.14864	4.8
191.17992	24.0
199.14948	7.2
201.83752	4.2
203.14307	5.6
203.17867	8.5
207.17407	5.1
217.15858	53.6
231.17567	4.9
243.17375	6.8
311.23303	4.0
313.04230	4.1
338.47101	4.3
353.69553	3.4
403.35110	12.8
421.34573	100.0
421.42514	6.4
438.54651	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	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01856	7.2
55.05509	15.9
57.03429	9.9
57.07064	11.1
65.03928	2.6
67.05165	2.1
67.05499	26.2
69.06710	2.7
69.07063	33.0
71.03027	1.6
71.04980	4.3
71.08613	4.4
71.63281	3.0
74.29366	1.7
76.93847	1.6
77.36292	1.6
77.39301	1.8
79.05494	17.5
81.03388	1.9
81.07052	44.0
82.07381	1.7
83.04980	30.1
83.08606	9.4
85.06546	9.0
88.22680	1.6
91.05479	17.2
93.07030	32.2
95.04945	6.0
95.08598	37.5
97.06526	12.5
97.10183	3.4
97.42654	1.8
99.08058	2.4
105.07030	15.7
107.04945	3.3
107.08588	34.8
109.06516	21.9
109.10161	15.6
111.04416	6.6
111.08070	6.4
111.11690	2.6
117.06999	5.5
119.04951	2.6
119.08573	18.3
121.02856	8.6
121.06499	3.0
121.10143	20.3
123.08048	14.2
123.11691	6.8
125.06014	8.0
125.09604	2.3
129.07048	2.2
131.08553	7.9
133.10115	12.9
135.04411	3.7
135.08052	30.1
135.11687	20.7
137.05978	20.0
137.09616	3.2
137.13213	4.0
139.07523	3.2
143.08560	5.4
145.10107	11.3
147.11678	8.8
149.09595	6.9
149.13255	6.7
151.03893	2.5
151.07558	5.6
151.11189	2.0
151.14854	1.8
153.12740	4.3
155.08481	1.9
157.10133	4.3
159.11688	5.1
161.09610	6.1
161.13232	5.1
163.11180	3.7
163.14801	3.9
165.09169	2.2
165.12741	6.0
169.10165	2.7
171.11713	3.9
173.13231	5.4
175.11185	2.8
175.14806	2.7
177.12762	9.2
179.14268	5.3
181.12244	7.5
183.11880	1.7
185.13245	1.9
187.14764	5.2
189.16357	3.4
191.14256	2.9
193.12292	3.2
199.14740	2.0
201.16386	2.3
203.14297	2.3
205.15733	1.9
213.05533	2.6
213.16347	2.6
217.14301	2.1
221.19002	5.1
225.05330	1.8
227.17801	1.8
235.20631	3.0
237.69159	1.9
249.18416	2.8
263.20059	4.2
267.10324	1.8
269.08099	6.7
282.08838	2.3
287.10916	1.6
295.06003	23.8
297.07639	3.0
303.09958	1.7
303.26550	2.2
305.08215	3.3
305.24741	91.1
306.24991	3.3
307.05975	3.0
309.07654	1.7
311.23611	1.7
319.09689	3.0
319.26334	25.3
321.07639	3.4
327.10074	2.1
329.24814	6.0
331.09708	8.9
332.10306	1.8
334.08145	1.8
337.10718	3.7
337.14322	14.9
343.09607	4.7
345.07431	1.7
347.09100	4.4
347.25797	100.0
348.26147	5.9
349.10721	17.2
350.11172	3.0
355.09561	6.3
359.09290	2.0
361.10773	5.5
363.12283	2.3
365.10126	17.0
365.26904	8.8
366.10431	2.2
367.13351	3.8
369.11166	2.9
370.11734	3.0
373.10498	2.2
385.14249	6.7
387.12183	2.0
388.12817	2.0
393.29834	6.9
403.15372	93.6
403.28134	4.5
403.32779	5.1
404.15729	16.8
406.13626	2.3
421.15924	75.8
421.29449	81.1
421.34625	12.4
422.16299	11.2
422.29730	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	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84736	4.7
51.43683	4.6
54.09972	4.8
55.05513	47.6
55.16704	5.1
57.07082	32.6
58.00260	5.0
58.12281	5.0
67.05496	31.4
69.03423	6.5
69.07067	100.0
71.04993	7.2
71.08631	20.2
71.63287	7.2
79.05489	21.2
81.07063	58.0
83.04986	14.9
83.08618	49.7
85.10174	9.5
91.05479	15.9
93.07033	27.1
95.05012	8.7
95.08609	77.6
97.10167	30.7
105.07001	26.6
107.08615	40.8
109.06570	6.8
109.10162	47.5
111.04440	5.4
111.08064	6.6
111.11708	18.5
113.02364	5.0
117.07047	5.3
119.08562	26.7
121.06541	8.3
121.10143	27.2
123.04539	4.8
123.08095	11.9
123.11704	22.6
125.02354	53.3
125.05978	7.6
125.13251	7.4
127.03961	9.4
131.08592	13.6
133.10155	24.2
135.08064	17.0
135.11703	14.9
137.05971	29.9
137.13268	7.3
139.03870	39.6
139.07616	6.2
141.05429	5.9
143.08606	7.6
145.10136	16.6
146.26216	5.1
147.08061	6.1
147.11703	15.0
149.13309	11.3
151.07555	14.2
151.11195	5.7
153.05449	16.8
157.10124	9.9
159.11697	12.8
161.09657	7.0
161.13261	11.5
162.46799	5.4
163.07579	11.3
163.14861	6.1
165.09152	15.5
167.07063	18.6
171.11691	9.3
173.13229	7.3
175.07495	8.1
175.14859	7.7
177.09114	12.7
177.16397	10.1
179.07010	7.0
181.08621	29.1
181.10080	6.8
185.13243	8.1
189.12811	8.4
189.16452	5.2
191.17970	6.1
193.08638	11.9
195.10104	13.1
199.14838	8.1
203.10645	5.8
207.10274	6.8
209.11668	6.1
213.12613	6.6
213.16428	6.5
215.17914	5.3
217.12241	9.6
219.13872	7.6
221.11644	5.9
227.17905	5.6
231.13892	7.4
235.13271	5.0
237.14784	8.1
249.14853	11.9
251.16290	6.0
259.16849	8.0
263.16415	14.1
265.17880	7.6
267.12912	5.4
279.19833	6.7
291.19431	9.8
310.12393	4.7
337.53165	7.0
339.19135	11.1
339.26874	7.2
357.27844	26.0
365.10132	16.6
375.28818	78.7
385.27042	24.6
403.15466	11.3
403.28534	16.5
403.32608	78.3
421.16162	23.9
421.35254	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01866	4.0
55.05515	8.7
56.10311	1.0
57.03428	9.9
57.07072	30.5
58.49359	1.1
59.04992	2.0
67.05502	19.2
68.34999	1.1
69.03432	2.2
69.07060	14.6
71.04982	2.3
71.64336	1.7
79.05488	13.4
81.03414	2.2
81.07053	28.6
83.04974	3.8
83.08606	4.5
85.06540	17.5
85.97912	1.0
91.05471	12.1
93.07029	16.6
95.04971	6.4
95.08602	24.2
95.54450	1.3
97.06524	5.0
97.10182	2.0
102.45840	1.0
105.07024	11.0
107.04960	3.1
107.08581	18.8
109.06509	13.4
109.10150	10.8
111.04439	4.2
111.08074	1.9
117.07056	3.4
118.23242	1.2
119.04964	2.9
119.08575	12.9
121.02884	6.4
121.06507	3.1
121.10136	12.3
123.04401	1.8
123.08070	9.6
123.11701	4.1
125.05981	2.7
129.07036	2.5
131.04950	1.6
131.08592	5.9
133.10094	8.0
135.04420	2.4
135.08044	19.1
135.11688	6.0
137.02353	1.2
137.05965	22.3
137.09633	3.0
137.13286	1.8
139.07559	2.3
139.11156	1.1
143.08601	2.9
145.06474	1.7
145.10114	7.5
147.08080	3.4
147.11664	5.6
149.02310	2.4
149.09612	4.5
149.13260	4.2
151.07585	6.9
151.11200	3.8
153.12788	1.9
157.10168	3.5
159.04448	1.3
159.11717	5.4
161.09604	5.3
161.13240	3.6
161.65623	1.2
162.03073	2.0
163.11156	2.8
165.09177	1.6
165.12727	6.6
171.11740	3.1
173.13322	3.2
175.07703	1.3
175.11221	2.8
175.14828	1.6
177.09210	1.5
177.12688	6.4
177.16403	2.1
179.14310	4.1
184.04532	1.4
185.06116	1.7
185.13239	1.4
191.14310	2.7
191.17908	1.3
193.12242	2.7
195.13858	1.6
199.14851	1.6
201.16382	2.7
203.10484	1.2
203.14352	1.5
206.05708	2.6
207.13817	7.9
213.05513	4.6
213.16426	2.1
215.17908	1.4
233.18954	2.6
263.20099	5.6
277.17990	1.9
283.06235	2.2
293.08118	1.2
295.05994	28.6
295.09406	2.2
296.06302	3.6
303.10150	4.3
305.08035	2.6
305.24829	2.3
307.06067	4.7
309.07547	2.6
317.08420	1.4
318.09000	1.8
319.09674	3.2
319.26328	9.1
321.07571	3.2
323.09161	16.2
324.09311	1.6
329.20969	4.5
329.24713	3.9
331.09619	15.2
332.10095	2.5
333.07404	1.8
334.08386	1.9
335.09122	2.7
337.10742	8.1
337.27374	4.8
338.10782	1.7
343.09726	1.8
345.11203	3.0
347.09058	8.7
347.25769	87.9
348.09741	1.6
348.26178	4.5
349.10629	27.7
349.14526	2.4
350.11044	3.7
361.10464	2.7
363.12265	8.9
365.10239	14.3
365.26889	21.3
366.10672	2.5
366.27319	2.7
367.13324	1.4
373.10220	1.5
379.11502	1.9
379.15689	2.1
385.14365	5.2
388.13177	1.5
391.15402	2.8
393.29913	10.9
403.15427	46.6
403.24612	3.8
403.29059	2.8
404.15985	7.3
421.16467	100.0
421.29568	78.1
421.34668	7.8
421.78687	1.7
422.16745	14.2
422.29712	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	421.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28119	0.4
55.01857	1.2
55.05257	0.3
55.05498	1.4
57.03434	2.1
60.05652	2.0
61.02917	0.4
65.03963	0.4
67.05482	1.6
69.03426	2.3
69.06713	0.7
69.07066	8.5
69.33677	4.1
70.06577	0.8
71.04991	0.8
72.08153	6.8
75.47186	0.3
79.05488	5.3
79.05909	0.7
81.03397	1.0
81.07052	2.8
82.06561	0.7
83.08627	0.4
84.08121	0.7
85.02914	2.9
85.06538	0.8
86.09712	0.7
87.04449	0.4
89.03920	0.4
89.10738	0.3
91.05476	1.6
93.07036	1.3
95.04949	2.7
95.08588	2.1
96.08139	2.5
97.02871	2.1
97.06526	35.6
97.07606	2.0
97.08893	1.1
98.06042	0.9
98.06859	0.7
98.20705	0.7
99.04437	0.8
103.03931	0.8
105.07028	1.6
107.04941	1.2
107.08575	1.6
109.02856	1.1
109.06492	0.9
109.10122	0.7
111.08060	1.5
112.08864	0.5
114.10285	9.5
115.05411	0.4
115.08685	1.7
117.03358	0.8
119.04954	0.4
119.08551	1.2
120.08095	0.4
121.02932	0.5
121.10121	0.9
123.11707	0.5
125.05954	0.4
127.03915	3.2
128.11801	0.6
129.09122	0.9
129.10150	0.4
131.04942	0.5
131.12927	4.7
133.02856	1.1
133.10115	1.2
135.04408	2.0
135.11714	0.4
136.06148	1.1
137.05984	0.5
143.04887	0.4
143.08549	0.5
143.59033	0.3
145.02818	2.6
145.04845	0.4
145.10104	0.7
147.04433	2.8
151.07486	0.4
157.06548	0.6
157.10901	2.5
159.04402	3.7
159.07991	0.6
159.11734	0.5
161.02335	9.5
161.05914	0.5
161.13202	0.4
163.03903	25.1
164.04181	0.6
165.09261	0.4
167.07021	1.9
167.08377	0.7
173.02335	26.1
177.05496	1.8
181.08568	0.4
183.06573	0.4
185.05997	2.2
187.03865	0.5
187.07510	1.0
189.05492	0.5
189.16443	0.5
193.08527	0.6
193.96408	0.4
195.08025	0.6
197.05965	0.7
199.03947	0.5
201.00700	0.5
201.39104	0.4
203.06830	0.4
213.09068	0.8
215.07021	45.4
216.07384	1.1
223.07495	0.6
229.08707	0.5
238.38277	0.3
241.08577	5.9
258.11142	0.7
259.09647	14.2
273.11142	3.4
277.10757	0.9
285.39401	0.4
291.12234	10.5
291.15347	0.7
329.18576	1.4
330.16852	1.4
354.18115	1.5
361.21140	0.4
362.19766	0.8
371.20819	2.2
372.19177	0.7
386.20767	0.8
389.21805	7.2
403.24335	0.7
404.21783	1.0
421.24408	100.0
422.24710	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	421.1641
Annotation	Pomiferin
Peak:m/z	Relative Intensity
55.05462	0.5
57.03392	0.3
65.03868	0.2
67.05429	0.9
69.06998	0.8
69.51891	0.6
69.52299	1.4
74.36970	0.2
79.05406	0.7
81.07048	1.6
83.08530	0.6
91.05399	0.9
93.07012	1.1
95.04884	0.4
95.08593	1.5
97.10081	0.3
98.20763	0.5
105.07038	1.0
107.04861	0.4
107.08604	1.7
109.06430	0.5
109.10136	1.2
111.08016	0.3
111.11641	0.2
115.05411	0.3
117.06915	0.9
119.04893	0.4
119.08558	1.2
121.02763	0.7
121.06430	0.4
121.10052	0.9
123.04363	0.4
123.07987	0.5
123.11617	0.7
125.05885	0.3
129.06889	0.5
131.04846	0.3
131.08484	0.7
133.06410	0.4
133.10091	1.0
135.08043	2.0
135.11607	0.8
143.08464	0.4
145.06433	0.3
145.10127	1.1
147.11607	0.7
149.05972	0.3
149.09590	0.3
149.13188	0.4
157.06390	0.5
157.10057	0.6
159.04335	0.7
159.11618	0.8
161.02269	0.7
161.13138	0.4
169.09996	0.3
171.11563	0.6
173.13185	0.6
175.14778	0.3
177.01721	0.3
183.11618	0.3
185.13187	0.3
187.14755	0.5
189.01778	1.0
189.05415	0.6
189.16290	0.7
191.17798	0.3
195.02881	1.1
197.13237	0.3
199.07468	0.2
199.14691	0.5
201.16280	0.3
203.03238	0.3
203.06915	0.5
205.04745	0.3
207.02840	1.1
213.05444	2.8
213.16403	0.3
219.17349	0.4
231.06496	1.9
249.07422	1.3
250.07961	0.3
267.06467	0.8
268.07312	0.6
275.07004	0.4
277.08536	0.6
285.21982	0.3
293.04388	0.5
295.06006	12.7
295.09302	0.5
296.06369	0.9
304.07397	0.3
307.05972	14.1
308.06348	1.2
309.03979	0.7
319.09500	0.4
323.05441	0.5
323.09097	5.2
324.09427	0.4
324.24374	0.3
329.07974	0.5
331.05972	0.5
332.06784	0.3
337.10785	1.5
347.09106	5.6
348.09515	0.6
350.07758	0.6
365.10165	100.0
366.05890	0.4
366.10510	7.4
403.15347	1.2
403.33218	0.6
421.16431	11.5
421.30746	0.4
421.34958	3.2
422.16870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1645
Annotation	Pomiferin
Peak:m/z	Relative Intensity
53.03898	0.2
55.01843	0.2
59.77294	0.2
60.30205	0.2
65.03896	0.3
67.05444	1.0
69.07017	0.5
70.09669	0.4
70.10066	0.5
79.05439	0.7
81.03360	0.3
81.06982	0.9
83.04947	0.2
83.08608	0.2
89.03843	0.6
91.05418	0.8
93.06969	0.8
95.04919	0.3
95.08557	0.7
98.36317	0.2
105.03329	0.4
105.06950	0.7
107.01250	0.3
107.04914	0.5
107.08500	0.7
107.09174	0.2
109.02810	0.3
109.10101	0.5
115.05390	0.5
117.03301	0.7
117.07021	1.9
119.04859	0.3
119.08499	0.7
121.02792	0.2
121.10066	0.6
123.04385	1.1
123.11658	0.4
129.07019	1.3
131.04820	0.2
131.08470	0.5
133.10040	0.6
134.03557	0.4
135.04388	0.5
135.07968	0.5
135.11612	0.2
137.02336	1.2
141.06915	0.3
145.06432	0.4
145.10033	0.5
147.04320	0.3
147.11592	0.4
148.34354	0.2
149.02312	0.2
149.09615	0.2
151.03777	0.2
153.01755	0.5
153.06927	0.3
157.06483	1.0
159.04372	0.3
161.02376	0.4
161.13141	0.2
167.08421	0.2
169.06424	0.6
171.04367	0.6
173.05930	0.3
173.13083	0.3
177.01750	0.5
177.16402	0.2
179.03334	0.3
181.06384	0.9
183.04364	0.2
185.05986	1.3
187.14886	0.2
189.01765	0.4
189.05432	2.0
189.16325	0.2
192.09312	0.4
195.02872	1.6
199.14873	0.2
201.05388	0.2
202.05991	0.3
202.07733	2.3
203.03343	0.3
203.06873	0.9
205.06322	0.2
207.02788	0.5
209.05850	0.4
213.05426	2.5
213.16267	0.2
216.09210	0.2
217.10126	2.5
219.08005	0.5
220.08730	0.4
221.09662	0.2
223.07565	0.3
225.05452	0.2
226.07870	0.2
227.08609	0.3
230.07320	0.5
231.06355	1.8
235.11220	0.3
237.09041	0.6
244.08820	0.2
245.09575	4.7
246.10040	0.3
247.07487	0.6
248.08337	1.0
249.05055	0.2
249.08971	0.2
258.06677	0.4
263.10654	1.0
265.08542	0.4
267.06503	0.6
269.04581	0.3
273.09106	1.9
275.07065	1.4
276.07809	1.1
283.05951	0.3
285.03931	0.3
291.10107	2.2
293.04456	0.4
293.07999	0.3
295.05957	0.6
295.09445	0.3
299.05331	0.3
301.08557	1.6
304.07098	0.2
305.07986	0.6
307.05951	0.5
307.09424	0.2
308.06784	0.8
309.07401	0.4
311.05481	13.3
312.05881	0.7
319.09610	10.3
319.13416	0.4
320.09894	0.3
321.07581	0.6
322.04651	0.4
322.08249	0.5
323.05414	2.5
323.09134	2.1
325.07019	0.3
329.08154	0.9
333.07404	0.3
335.09274	0.3
336.06268	0.4
337.07083	0.7
337.10696	0.4
347.09116	39.1
348.09549	2.3
349.07050	2.4
350.04321	0.3
350.07831	2.1
365.10172	100.0
366.06015	0.3
366.10516	4.7
379.11627	0.4
403.15329	0.8
403.33145	0.4
421.16440	20.5
421.35052	1.2
422.17075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1641
Annotation	Dehydrolupinifolinol
Peak:m/z	Relative Intensity
55.01863	0.3
55.05487	0.5
67.05474	1.0
68.28336	0.2
71.14878	0.4
71.15215	0.3
79.05459	0.6
81.07030	0.8
83.08572	0.3
83.50924	0.2
89.03883	0.8
91.05487	0.4
93.07042	0.7
95.04921	0.8
95.08588	1.2
97.10137	0.3
105.03368	0.3
105.07016	0.6
107.04914	0.8
107.08549	0.8
109.02865	0.4
109.10114	0.6
115.05441	0.4
117.03364	0.7
117.07012	1.6
119.08543	0.7
121.10094	0.5
123.04387	0.8
123.11674	0.2
125.06032	0.3
128.06142	0.3
129.06996	1.3
129.07797	0.2
131.08481	0.3
133.10117	0.5
135.04364	0.7
135.08043	0.6
135.11671	0.3
137.02397	1.3
139.03874	0.4
141.06985	0.4
143.08559	0.4
145.06506	0.2
147.04459	0.3
147.11737	0.3
149.02277	0.3
149.13187	0.2
151.03922	0.3
153.01807	0.7
153.06993	0.7
157.06462	1.0
157.10060	0.3
159.04379	0.7
161.02318	0.5
169.06441	0.6
171.04379	0.6
177.01866	0.3
179.03391	0.4
181.06415	0.7
183.04468	0.3
185.05969	1.5
187.14763	0.3
189.01865	0.6
189.05458	2.8
192.09227	0.4
195.02922	1.7
199.07358	0.3
201.05624	0.3
202.07770	2.4
203.06956	0.8
203.08614	0.4
207.02911	0.6
207.11665	0.6
209.05908	0.4
209.09445	0.4
213.05447	3.3
217.10118	3.8
219.08234	0.5
225.05501	0.5
229.04875	0.4
229.10083	0.4
230.07353	0.5
231.06299	1.8
233.09576	0.4
235.11136	0.5
237.09093	0.6
245.09613	6.3
246.10048	0.6
247.07512	1.1
248.08168	1.2
258.06659	0.5
263.10657	1.1
265.08527	0.4
267.06598	0.5
269.04578	0.3
273.09079	2.9
274.09592	0.4
275.07083	1.5
276.07849	1.6
277.08401	0.4
283.06009	0.3
285.03802	0.4
287.07098	0.3
291.10080	3.4
292.10278	0.3
293.04739	0.3
293.07990	0.4
295.05939	0.6
298.11060	0.3
299.05533	0.6
301.08557	2.1
302.09207	0.3
304.07330	0.5
305.07965	0.8
307.06110	0.5
308.06793	1.1
309.07285	0.6
309.10947	0.4
311.05475	17.6
312.05893	0.9
319.09625	13.1
320.10004	0.6
321.07553	0.8
322.08438	0.8
323.05457	3.1
323.09149	3.0
325.07196	0.3
329.08109	1.5
329.21039	0.6
333.07486	0.4
335.05508	0.3
336.06522	0.4
337.06918	1.3
337.10593	0.5
347.09109	60.8
348.09390	3.0
349.07053	2.9
350.07782	3.4
362.23495	0.3
365.10159	100.0
366.10541	5.5
403.24417	0.4
421.16415	79.0
421.35098	1.2
422.16730	4.8
425.86844	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	421.1643
Annotation	Yinyanghuo A
Peak:m/z	Relative Intensity
53.00648	0.4
55.05468	1.1
57.07032	1.1
58.75582	0.4
59.05000	5.3
64.01020	0.4
65.03914	0.6
67.05505	2.7
69.07015	1.7
70.06555	0.5
70.36928	1.6
71.07470	0.5
71.08606	0.4
79.05446	1.6
81.07063	2.3
83.04955	0.5
83.08575	1.0
88.07581	0.8
91.05476	2.5
93.07039	2.2
95.08598	2.6
97.06447	0.7
97.10148	0.5
103.57610	0.4
105.06960	1.7
107.04939	2.6
107.08546	1.8
109.06430	0.5
109.10103	2.0
112.85700	0.4
115.05408	0.7
117.06947	0.8
119.04899	1.3
119.08540	2.2
121.02124	0.5
121.02853	6.1
121.07258	0.4
121.10066	1.3
123.08073	0.5
123.11639	1.0
127.11094	0.4
129.06946	0.8
131.04854	1.5
131.08524	1.4
132.54230	0.5
133.02773	0.9
133.06432	0.5
133.10034	1.3
135.04366	1.7
135.07990	0.6
135.11670	1.1
137.09665	0.5
143.08521	1.1
145.06297	0.5
145.10060	1.3
147.04338	0.8
147.11586	0.9
148.73549	0.4
149.02242	1.6
149.13136	0.7
153.06973	0.6
157.06479	0.5
159.04361	0.9
159.11589	0.8
161.09579	0.5
161.13164	1.1
162.03021	1.6
163.03793	0.6
165.06984	0.5
169.06404	0.6
171.08051	1.1
171.11632	0.7
173.05904	0.5
173.09598	0.5
173.13148	0.5
181.06403	0.6
183.07982	1.0
184.04330	1.3
185.05850	0.6
185.13263	0.5
189.05396	0.6
193.04875	1.3
195.08037	0.7
197.06010	0.6
199.07535	1.1
203.03304	0.5
203.06845	0.6
206.05766	0.9
213.05424	2.3
213.16432	0.6
225.09018	0.5
227.06931	1.6
228.23132	0.7
245.09608	0.8
256.08719	0.6
256.26422	0.7
257.26648	0.5
263.07120	0.6
265.08475	1.3
267.06464	0.9
267.10052	0.9
271.11136	0.8
274.09821	0.5
277.08337	0.8
281.08084	0.9
283.05914	1.4
289.12476	0.6
291.06342	0.7
293.08096	4.2
295.05954	2.9
297.07742	0.6
302.09393	0.9
303.10095	1.4
304.10660	0.5
305.07977	1.5
306.08829	0.7
306.65976	0.6
307.05936	1.6
307.09393	1.0
309.07535	18.8
310.07947	1.1
311.05548	0.9
315.09976	0.5
317.08127	0.9
317.11673	1.3
318.08829	1.1
319.05823	0.5
319.09674	1.3
320.06793	0.8
320.67789	1.1
321.07504	7.0
321.11221	1.9
323.09204	0.8
327.10165	1.4
329.08084	0.9
331.09601	3.4
332.10239	0.6
333.07523	3.8
333.11047	0.9
334.08340	3.8
335.09000	1.8
335.12589	1.0
337.10751	0.7
343.09540	2.8
345.07635	0.8
345.11200	16.4
346.11356	1.3
347.08929	3.1
347.25668	1.4
348.09872	4.8
349.10696	7.8
355.09671	3.0
357.15292	0.8
359.12762	1.0
361.10782	2.7
363.12228	71.8
364.12524	4.3
365.10345	1.2
367.13428	1.0
369.11200	1.2
370.12106	0.8
373.10684	1.6
375.16147	0.6
385.09412	1.1
385.14240	6.3
387.12088	1.1
388.12976	1.1
403.15378	54.2
404.15750	3.8
421.16422	100.0
421.28119	4.1
421.35223	2.7
421.78348	1.9
422.16797	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	421.1642
Annotation	Yinyanghuo A
Peak:m/z	Relative Intensity
64.85249	0.5
65.03960	0.6
67.05514	1.4
71.07748	1.2
79.05502	0.6
81.07067	0.4
91.05517	1.3
102.74403	0.5
104.19755	0.4
105.03423	0.5
107.04945	2.4
109.06536	0.7
117.07040	1.0
119.04979	1.2
121.02859	5.7
129.07010	0.6
131.04938	0.5
133.02895	1.2
135.04408	3.3
136.86562	0.4
147.11649	0.4
155.08444	0.5
159.04459	1.4
161.02316	0.6
165.07021	0.8
169.06537	1.2
171.08031	1.0
179.08636	0.5
180.09236	0.4
181.06525	0.8
183.08147	0.8
185.05975	0.9
187.03841	0.5
189.05539	1.2
193.10207	0.7
197.06010	0.6
199.07568	0.8
202.40190	0.5
203.06938	0.7
211.07579	1.1
213.05434	3.6
215.07111	0.5
223.11201	0.6
225.05528	1.1
229.10239	0.5
232.08783	0.8
234.06993	0.5
239.07037	0.6
244.08894	0.7
245.09579	1.0
253.08604	0.8
259.11215	0.6
267.06714	0.5
267.10242	1.4
274.09888	0.9
277.08517	0.6
283.06128	0.8
287.10663	1.6
289.08627	0.7
291.06589	0.6
295.06036	4.0
299.10724	0.8
303.10159	2.0
305.08203	1.2
307.06070	1.8
307.09320	0.8
309.07587	1.0
313.08694	0.5
315.10196	1.3
317.08032	1.6
317.11472	0.7
318.08746	2.1
319.09494	2.8
320.09991	0.5
321.07574	3.6
321.10995	0.7
322.08060	0.5
324.11349	0.6
327.10150	1.1
329.15393	0.7
331.09625	10.8
332.10071	1.0
333.07437	1.2
333.11224	2.4
334.08218	1.0
335.08960	1.3
336.10162	0.6
337.10699	0.5
341.08029	0.9
341.11765	1.2
342.12653	0.7
343.09622	4.6
343.13184	0.8
345.07480	2.1
345.11292	2.3
346.08075	0.5
347.09042	2.6
348.09854	1.5
349.10684	19.6
350.11060	1.6
355.09604	5.8
356.10214	1.4
357.11084	0.6
357.14880	1.7
359.09036	0.7
359.12836	1.4
361.10593	5.0
361.14392	0.9
367.13196	2.4
369.11169	2.9
370.11926	2.2
371.12500	0.7
373.10605	2.8
375.12170	1.2
375.15955	1.2
385.14294	11.1
386.14651	0.5
387.12375	0.8
388.12979	2.0
403.15384	100.0
404.15707	7.1
421.16425	70.4
422.16788	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	421.1643
Annotation	Dehydrolupinifolinol
Peak:m/z	Relative Intensity
55.01852	0.8
55.05465	0.4
57.03412	0.4
57.07055	0.5
65.03932	0.4
66.38014	0.3
67.05476	1.0
68.13441	0.3
68.99781	0.6
69.07030	1.4
79.05498	1.7
80.05301	0.3
81.07069	1.6
83.01311	1.1
83.04914	0.4
83.08604	0.4
91.05448	1.3
93.03375	0.7
93.06996	1.5
95.04952	0.5
95.08573	1.3
98.21460	0.6
103.05428	0.9
105.03365	0.6
105.06993	1.5
107.04934	1.9
107.08580	3.0
109.02847	0.9
109.06476	1.3
109.10115	0.8
115.05421	0.9
117.07007	5.2
118.91734	0.3
119.04916	0.5
119.08556	1.1
119.71995	0.3
121.02811	0.7
121.06477	1.4
121.10119	0.5
123.04430	0.4
123.11746	0.5
128.06183	0.6
129.06989	2.6
131.04935	1.9
131.08498	0.5
133.02811	0.3
133.10117	0.8
134.03635	0.4
135.04373	0.9
135.08040	15.7
135.11653	0.4
137.05907	1.0
137.13217	0.4
138.06291	0.7
139.03888	0.5
145.06436	1.1
145.10056	0.4
147.04395	0.6
147.08002	0.5
149.02284	0.8
149.05896	0.4
156.51546	0.3
157.06462	3.1
159.04408	10.1
159.11635	0.5
159.64668	0.4
161.02356	3.4
161.06012	0.4
163.07553	2.7
169.01370	0.5
171.04424	0.8
173.13205	0.4
175.03868	0.9
175.07529	1.6
177.01773	0.7
177.52162	0.4
177.91434	0.4
179.03340	0.4
185.05959	3.3
189.01820	6.3
189.05453	6.2
193.10088	0.7
195.02831	2.7
195.08005	0.5
203.03372	1.4
203.07011	2.9
207.02872	7.2
207.06496	0.7
213.05457	34.2
214.05783	0.8
215.10522	0.4
216.04166	2.2
221.09563	1.3
225.05438	0.4
231.06502	29.3
232.06746	0.7
234.06825	0.7
239.17825	0.5
245.09595	0.9
248.08377	0.8
249.04907	0.7
249.07440	15.6
258.06702	0.7
260.08493	0.4
263.10574	0.4
273.09128	0.7
275.07092	1.6
276.07748	0.7
277.08472	3.7
290.05679	0.8
291.07037	0.3
291.10123	1.2
293.04462	4.7
293.07785	0.5
301.08496	1.1
304.07336	1.8
305.04398	1.2
305.07996	2.1
308.06711	0.5
311.05524	2.0
318.04767	0.4
319.09631	2.2
319.57343	0.4
323.05301	1.1
323.09122	1.6
329.08060	6.3
330.08829	0.3
331.05984	3.1
332.06674	4.0
333.06967	0.3
347.09116	46.7
348.09375	2.6
350.07806	0.6
365.10165	100.0
366.10522	6.4
379.11386	0.3
403.32120	0.5
420.35443	0.4
421.16415	99.3
421.35580	1.8
422.16766	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	421.1338
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03919	0.3
55.01856	0.3
57.03418	1.0
61.02909	0.2
69.03422	3.7
70.78539	0.5
71.04964	0.3
72.08137	0.4
80.20882	0.3
81.03391	0.4
82.06564	1.1
85.02895	3.6
87.04462	1.6
96.05090	0.2
97.02863	2.1
109.02876	0.6
115.03912	1.9
127.03902	100.0
128.04230	1.3
128.61990	0.3
133.04945	1.5
145.04886	0.4
147.04405	0.8
164.80765	0.3
172.39137	0.3
271.76193	0.3
289.09131	3.4
295.11429	0.2
329.93930	0.2
336.83643	0.3
358.76428	0.3
421.16669	0.9
421.21722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1644
Annotation	Kuwanon B
Peak:m/z	Relative Intensity
52.74251	0.6
55.01844	1.1
55.05490	1.9
65.03942	0.6
67.05504	7.9
68.99790	0.7
69.03417	1.3
69.07051	1.8
70.04081	3.0
71.04977	0.7
71.08607	0.6
71.17094	1.1
79.05482	4.1
81.03391	1.0
81.07054	5.7
85.79644	0.5
91.05473	3.0
91.57230	0.5
93.07055	3.4
95.04962	9.0
95.08601	4.0
97.06544	0.8
97.10152	1.0
104.65657	0.7
105.03422	0.8
105.07020	4.4
107.04958	4.3
107.08574	2.7
109.06503	4.5
109.10157	3.2
117.06998	2.0
119.04947	0.9
119.08562	3.5
121.02818	1.4
121.06528	1.2
121.10141	1.8
123.04424	100.0
123.11696	1.1
124.04747	2.1
128.06232	1.1
129.06993	2.0
131.04958	1.7
131.08588	1.8
133.02783	0.6
133.06490	1.2
133.10135	1.2
135.04439	3.6
135.08047	1.1
135.11693	1.0
137.02351	3.3
141.06966	1.0
142.07732	0.6
143.08546	1.8
145.06476	2.2
145.10118	2.5
147.04428	4.9
147.11664	1.7
149.02345	1.1
149.05913	1.1
149.09615	1.3
151.03934	2.2
151.07594	0.8
153.05475	1.7
153.07005	1.0
155.08554	2.3
156.09317	1.1
157.06461	1.1
157.10185	1.6
159.04434	1.4
159.08060	1.9
159.11679	1.4
161.06032	1.5
161.13324	0.8
163.03871	0.7
167.08580	1.0
169.06477	1.0
169.10114	1.1
171.08051	1.9
171.11667	1.4
173.06039	0.6
173.09659	1.6
175.03932	1.0
175.07599	0.9
175.13170	0.7
177.01938	0.6
177.09076	0.7
179.08601	1.0
183.08061	2.1
185.05963	1.1
185.09630	0.8
185.13315	1.3
187.03915	1.7
187.07620	1.4
187.11269	0.7
189.05472	1.2
189.16353	0.8
191.03456	1.5
192.09328	0.8
193.10181	1.0
194.86214	0.6
195.08112	1.5
197.06041	1.1
197.09714	0.7
199.07597	1.5
201.05513	1.2
201.09129	2.5
201.16460	1.0
203.03445	1.9
203.07031	1.2
203.10770	1.1
204.09286	0.6
207.08061	0.9
207.11646	1.0
209.09464	0.7
211.07513	2.7
213.05521	1.5
213.09190	1.3
215.03255	1.3
215.07016	1.4
215.14246	1.1
217.04948	1.6
217.08723	0.8
221.09566	0.7
223.07509	1.4
223.11255	0.8
225.09128	2.1
227.07018	5.6
227.10623	1.7
229.05112	0.9
229.08598	1.9
231.06479	1.4
233.04454	0.9
235.11295	0.8
239.07042	2.1
239.10728	0.9
241.04919	2.3
241.08675	2.0
243.06595	2.3
243.10210	1.1
243.13977	0.8
245.07906	4.2
249.09259	0.7
251.00371	0.9
251.07057	3.0
251.10497	0.9
253.08783	1.0
253.12161	1.3
255.06450	0.9
257.08185	2.3
257.11722	1.4
263.06985	0.8
263.10718	0.9
265.08685	1.0
266.09552	1.1
267.10300	1.2
269.08160	4.4
269.11673	1.2
271.05991	1.0
271.13382	1.7
277.08530	1.1
281.07993	0.9
281.11691	1.4
283.06149	0.7
283.09656	0.8
285.11246	3.4
287.08969	1.6
290.09418	1.0
293.11746	0.9
295.06107	0.7
295.09662	0.9
299.12790	28.6
300.13419	1.7
305.08081	0.7
307.06052	1.1
309.07574	2.5
311.12756	9.1
312.13235	0.7
315.10028	0.8
317.08023	0.8
319.09650	1.6
321.07639	1.3
323.05661	0.8
325.07025	6.2
329.21057	1.6
331.09488	1.0
332.10544	1.0
333.11325	1.7
335.05634	1.2
337.07178	2.8
345.07629	2.5
345.11273	0.8
346.08569	0.8
347.09198	2.7
349.06894	4.3
350.07800	2.1
351.08545	1.2
355.09647	0.8
359.09204	1.5
359.13107	0.7
360.09891	0.8
361.10678	9.8
362.11154	1.1
363.08624	4.2
364.09473	2.4
365.10242	3.8
370.08304	0.9
373.07254	2.1
375.12204	1.7
379.11740	86.0
380.12091	7.7
385.10516	10.9
385.14676	1.5
386.11295	1.8
387.08630	5.5
387.12872	0.7
388.09088	3.2
403.11771	99.8
403.15747	51.0
404.11526	11.7
404.16110	4.0
421.16785	57.2
421.35309	3.4
422.17316	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	421.1282
Annotation	Artonol B
Peak:m/z	Relative Intensity
54.75693	0.4
55.01873	0.4
55.05508	1.3
65.03951	0.5
67.05497	3.7
69.03426	0.5
69.07062	1.3
70.04112	0.4
78.61444	0.4
79.05485	2.1
81.07055	4.3
83.08610	0.4
84.61008	0.5
91.05464	2.5
93.07035	1.4
95.04960	5.9
95.08597	2.6
97.02885	0.5
105.07036	2.2
106.57336	0.5
107.04962	2.5
107.08611	1.3
109.06506	1.9
109.10156	1.7
117.07043	0.7
119.04957	0.9
119.08595	1.4
121.06512	0.7
121.10123	1.2
123.04423	45.2
123.11695	0.6
126.08923	0.4
128.06224	0.8
129.07018	0.9
131.04942	1.0
131.08571	2.0
133.06552	0.7
133.10132	1.9
135.04414	1.7
135.08070	0.5
135.11697	1.0
137.02319	2.8
142.07771	0.6
143.08530	1.0
145.06508	1.1
145.10107	1.6
147.04376	2.7
147.08049	0.9
149.09599	1.0
151.03923	1.9
153.05481	0.8
153.06979	0.8
155.08548	1.8
157.06592	0.7
157.10123	0.7
158.07237	0.5
159.04459	1.0
159.08098	0.8
159.11624	0.8
161.05983	0.5
163.03923	1.2
167.08601	0.7
169.06444	0.5
169.10091	0.5
171.04187	0.5
171.08034	1.4
171.11662	1.0
173.06094	0.6
173.09612	1.3
175.03935	1.2
175.07620	0.9
177.05428	0.6
178.17148	0.5
181.06459	0.6
183.08070	1.7
185.05994	1.1
185.13298	0.7
187.03963	1.3
187.07561	0.6
187.11234	0.6
189.05409	0.6
189.12709	0.7
191.03259	0.8
192.09230	0.7
195.08057	0.7
197.13316	0.9
199.07550	1.2
199.11218	0.5
201.09126	1.9
203.03433	1.2
203.07103	0.6
203.10730	0.5
209.34660	0.5
211.07507	0.9
211.11136	0.5
213.05458	0.9
215.03395	1.3
216.09331	0.6
219.06435	0.9
223.07613	0.8
224.08293	1.0
225.09082	1.1
226.06178	0.6
227.07043	3.0
227.10693	0.8
229.04926	0.6
229.08769	0.6
233.04280	0.5
239.07095	0.9
241.04982	1.6
241.08650	0.9
243.06535	1.1
243.10355	0.7
243.13849	0.6
245.07999	2.3
251.07021	3.4
253.12369	0.5
255.06525	0.6
257.08063	2.0
257.11722	1.0
263.06851	0.5
267.10156	0.8
269.08011	2.5
269.11749	0.5
270.24426	0.5
271.13284	1.3
277.08450	0.5
283.06015	0.4
283.09683	0.6
285.11252	2.7
287.09177	0.8
290.09198	0.6
291.10336	0.7
295.06064	0.7
295.09637	0.5
299.12769	14.3
300.13074	0.6
309.07541	1.8
311.09360	0.8
311.12726	3.8
317.08157	0.6
318.08786	0.6
319.09619	0.5
321.07587	1.2
323.05469	0.5
325.07147	5.0
331.09729	0.6
332.10413	0.5
333.11252	1.0
335.05420	0.8
335.09103	0.6
337.07169	3.0
337.10712	0.7
343.09894	0.9
345.07455	1.8
347.09027	1.3
349.06985	3.2
349.10776	0.7
350.07819	1.3
351.08649	0.7
351.12408	0.8
359.09164	1.1
361.06900	0.8
361.10782	5.9
363.08505	3.4
364.09323	2.5
365.10080	1.5
370.08200	0.5
371.09225	0.9
373.06808	2.1
373.11139	0.6
374.07306	0.5
375.12372	0.9
379.11743	68.7
380.12009	3.9
385.10614	9.6
386.11017	0.7
387.08621	5.4
388.09103	2.9
388.40289	0.5
400.86642	0.6
403.11670	100.0
403.15692	22.6
404.11716	6.0
404.16660	0.8
421.16702	32.0
421.30325	0.6
421.34756	2.1
422.16846	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	421.1277
Annotation	Isoglabratephrin
Peak:m/z	Relative Intensity
53.03947	0.4
55.01862	0.9
55.05505	2.1
57.03430	0.4
65.03926	0.6
67.05495	6.0
69.03421	0.6
69.07055	1.2
69.89865	0.3
69.90218	2.0
70.04049	0.4
78.04804	0.3
79.05481	3.8
81.03424	1.0
81.07042	4.5
83.04986	0.6
83.08617	1.0
85.02890	0.4
85.06516	0.3
86.63921	0.3
91.05475	3.2
93.07025	3.1
95.04955	6.1
95.08604	2.6
97.02886	0.4
97.06483	0.3
97.10168	0.9
98.77229	0.3
103.05473	0.4
105.03393	0.6
105.07029	2.5
107.04946	2.8
107.08597	1.9
109.06499	2.3
109.10122	1.5
109.80103	0.3
111.08082	0.3
115.05450	0.5
117.07022	1.4
119.04948	0.8
119.08569	2.3
121.02841	0.5
121.06495	1.1
121.10143	1.3
123.04417	35.4
123.08044	0.5
123.11771	0.3
124.04753	0.4
125.09618	0.6
127.03888	0.3
128.06207	0.9
129.06944	1.5
131.04944	0.5
131.08560	2.0
133.02824	0.3
133.06482	0.7
133.10141	1.5
135.04372	1.3
135.08041	0.9
135.11690	0.3
137.02348	2.0
141.06953	0.4
142.07706	0.3
143.08571	2.0
145.06499	1.0
145.10124	1.6
147.04398	2.3
147.08044	0.9
147.11659	0.8
149.02357	0.4
149.05905	0.4
149.09604	1.3
151.03854	1.8
153.05502	0.5
153.06914	0.3
155.08556	1.4
157.06497	0.6
157.10139	1.3
159.04376	0.9
159.08046	1.0
159.11667	0.8
160.05151	0.3
161.02451	0.4
161.06018	0.6
161.09612	0.6
161.13249	0.4
163.11171	0.7
166.07722	0.3
167.08472	0.6
169.06464	0.5
169.10069	0.6
171.04372	0.5
171.08060	1.5
171.11736	0.6
173.05963	0.7
173.09630	0.8
173.13260	0.6
175.03882	0.4
175.07587	0.5
175.11127	0.5
177.05600	0.3
177.09087	0.3
181.10138	0.5
183.08041	1.1
183.11626	0.6
185.05959	0.7
185.09641	0.9
187.03972	0.8
187.07439	0.5
187.11232	0.4
187.14828	0.5
189.05449	0.4
189.09099	0.5
189.11076	0.3
191.03377	1.2
195.08052	0.8
195.11690	0.3
197.06027	0.6
197.09561	0.5
198.06688	0.4
199.07571	1.0
199.11134	0.5
199.14857	0.4
201.05424	0.4
201.09085	1.9
203.03386	1.1
203.06958	0.6
203.10652	0.3
209.04440	0.7
209.09621	0.4
209.13295	0.3
210.06895	0.4
211.07538	1.1
213.05460	0.6
213.09117	0.7
215.03433	0.9
215.07007	0.7
215.14314	0.3
217.04820	0.4
219.08214	0.3
223.07544	0.5
223.11256	0.4
223.13181	0.4
224.08290	0.6
225.05533	0.5
225.09035	1.2
227.06996	3.8
227.10617	0.7
228.07628	0.4
229.08589	0.6
237.09143	0.5
239.06952	0.4
239.10675	0.5
241.05101	0.9
241.08548	1.0
242.09451	0.3
243.06454	0.7
243.13875	0.4
245.07999	2.9
249.09044	0.3
251.06967	2.6
253.12231	0.4
255.06462	0.5
255.10107	0.4
257.08014	1.0
257.11789	0.7
259.11047	0.6
263.06958	0.5
263.10849	0.3
265.08578	0.5
267.06534	0.6
267.10135	0.3
269.08008	2.6
271.05713	0.4
271.13339	0.7
275.10547	0.4
277.08600	0.4
279.06531	0.4
281.11606	0.4
285.11136	1.7
287.08926	1.8
289.08459	0.5
290.09323	0.5
291.06366	0.4
291.10052	0.4
293.08105	0.6
293.11667	0.4
295.05954	0.6
297.07614	0.5
299.05405	0.5
299.12750	10.5
305.08014	0.3
307.06091	0.7
309.07556	1.6
309.10745	0.4
311.05658	0.4
311.12723	3.4
311.20151	0.6
315.10165	0.4
317.08005	0.7
318.08795	0.6
319.05988	0.5
319.09647	0.7
321.07559	1.3
323.09088	0.8
325.06998	4.8
329.21100	4.2
333.07553	0.4
333.11169	1.0
335.05515	0.4
335.09174	0.4
336.06354	0.6
337.07013	2.5
337.10767	0.7
343.09622	0.7
345.07584	1.5
345.11136	0.3
346.08194	0.6
347.09088	1.3
347.22031	0.7
349.07053	4.0
349.10880	0.5
350.07623	1.5
351.08508	1.0
351.12433	0.8
357.11234	0.6
359.09164	1.1
360.10074	0.4
361.06537	0.2
361.10690	6.9
362.11145	0.4
363.08585	2.9
364.09393	1.8
365.10129	2.6
370.08289	1.0
371.08853	0.4
373.06680	2.0
375.12073	1.6
379.11722	69.8
380.12097	2.8
385.10583	8.6
387.08542	4.5
388.09293	3.3
388.13428	0.4
403.11374	100.0
403.24625	3.5
404.11816	4.2
421.12021	4.0
421.17035	21.5
421.25067	4.8
421.34674	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	420.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
56.05020	3.1
56.62104	0.7
65.32129	0.6
66.34032	0.7
67.05213	0.9
67.05504	9.1
68.05025	1.6
69.07050	3.4
70.06587	56.1
79.05486	9.7
81.07049	8.4
83.08588	0.9
85.06517	0.7
86.06065	10.9
88.07637	1.0
91.05493	4.6
93.07039	8.6
95.04939	1.1
95.08599	7.0
96.08127	2.6
97.10115	0.9
101.38721	0.8
107.08585	3.4
109.10159	2.7
114.05521	25.2
114.09161	30.5
119.08583	2.8
121.10141	3.2
123.04414	0.9
123.11729	0.8
127.48239	0.7
131.08583	0.9
133.10109	2.0
135.11647	2.4
142.08626	60.5
143.08794	0.8
145.10196	1.0
145.17638	0.7
147.11728	1.1
157.10211	0.9
159.11697	1.0
160.09685	88.3
161.10022	1.3
173.13206	1.2
183.44336	0.7
199.14714	0.8
253.05063	2.1
281.04431	1.2
295.06015	7.4
310.04938	1.2
319.26337	2.1
337.10779	1.2
347.09192	2.3
365.10156	10.3
374.30692	1.1
403.15527	2.9
420.15384	2.9
420.31058	100.0
421.16678	4.6
421.31097	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	421.1279
Annotation	Isoglabratephrin
Peak:m/z	Relative Intensity
53.03931	0.7
55.31213	0.6
55.85841	0.8
57.07071	1.8
59.70275	0.7
63.82420	0.7
67.05492	3.5
69.07059	3.3
70.04069	4.3
70.06590	2.8
71.58939	0.6
71.61839	1.0
71.62294	0.8
79.05487	2.6
81.07039	3.4
83.08604	1.5
86.89119	0.7
88.07611	2.8
91.05458	3.6
93.07024	3.1
95.04958	1.4
95.08599	3.3
102.09179	2.7
105.07021	2.8
107.04925	0.8
107.08582	3.0
109.10131	3.0
117.07018	1.2
119.04945	1.2
119.08582	3.0
121.10150	2.4
123.04428	11.4
123.11684	1.4
127.93024	0.7
131.08568	1.6
133.10120	2.6
135.08044	2.3
135.11656	0.8
137.02335	2.3
143.08580	1.8
145.06479	0.8
145.10133	2.2
147.04405	11.9
147.11678	1.8
148.04745	2.3
159.07906	0.7
159.11702	1.8
161.02423	0.9
161.13242	0.8
169.10118	0.7
171.11716	1.1
177.12643	0.8
187.14902	1.0
189.16364	0.9
191.07034	10.1
192.07365	4.2
197.13235	0.8
201.16379	1.1
203.03394	1.0
213.05487	1.5
213.16367	1.1
215.17867	1.1
223.07317	0.8
227.07060	1.6
232.83855	0.8
251.00243	2.2
255.85588	0.8
256.26437	5.6
257.26749	3.5
269.08130	3.0
281.08020	1.1
283.06015	1.2
287.09061	4.3
295.05978	3.3
297.07629	1.8
299.05429	1.1
299.12793	3.2
309.07578	2.9
311.12717	0.9
318.08334	0.9
319.09396	0.9
325.07047	15.6
329.24780	1.9
331.09836	1.2
333.11264	1.2
337.07007	4.9
337.10751	3.7
339.08789	1.0
347.09036	1.5
349.06973	2.8
349.10913	2.1
350.07800	2.6
351.08340	1.1
351.12311	1.0
353.69672	0.8
357.11237	0.8
361.10706	12.4
362.11340	1.0
363.08676	3.1
364.09384	4.2
365.10086	4.4
379.11740	100.0
380.12137	4.0
403.10901	0.9
403.15475	8.9
420.31094	6.0
421.12335	56.1
421.25479	1.6
421.30905	16.1
422.06961	1.8
422.13071	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	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01872	3.9
55.05507	17.2
57.03436	7.0
57.07064	1.9
62.65486	1.2
65.03932	1.7
67.05502	43.2
69.03416	3.0
69.07064	19.7
69.64338	10.0
70.06592	1.5
71.04982	3.0
73.02928	1.5
74.95189	1.3
79.05486	30.6
81.03408	4.3
81.07050	64.1
82.07374	1.9
83.04963	6.8
83.08604	15.2
84.08189	1.3
85.02883	3.7
85.06533	5.5
91.04939	1.2
91.05472	27.2
91.06004	2.4
93.07035	40.8
94.07364	1.3
95.04961	8.2
95.08597	25.4
95.09155	2.1
96.08872	1.2
97.02899	3.6
97.06520	11.6
97.10163	4.6
99.04448	1.7
99.08115	3.0
101.06019	1.1
103.05485	1.4
105.07020	23.2
106.07334	2.1
107.04935	5.7
107.08591	28.8
109.02876	2.4
109.06503	8.8
109.10152	14.7
111.04428	1.3
111.08086	5.0
113.05981	1.7
113.09640	1.7
115.05417	1.7
117.06986	9.5
119.08563	16.4
120.72923	1.3
121.06490	3.8
121.10134	18.0
123.04388	2.5
123.08047	4.1
123.11660	6.7
124.03919	1.5
125.09632	3.6
127.03923	3.3
129.06982	2.5
131.08559	13.1
133.06487	2.0
133.10117	19.1
134.10435	1.4
135.08043	4.1
135.11662	12.2
137.05986	3.7
137.09630	2.3
138.05484	1.9
139.11160	1.5
143.08577	1.6
145.06459	1.3
145.10100	10.6
146.49310	1.3
147.04343	1.6
147.11720	8.5
149.05988	2.3
149.09602	6.2
149.13232	19.1
151.11148	3.0
155.08490	1.9
157.10123	4.4
159.11678	22.2
160.12012	1.4
161.05986	1.5
161.09558	1.2
161.13255	5.6
163.11159	6.2
167.07027	8.4
168.07410	1.8
169.10133	2.4
171.11719	2.6
173.11848	2.0
173.13252	4.9
175.11253	1.9
175.14841	1.8
177.12737	20.8
179.14281	8.8
181.04866	1.3
185.38264	1.2
187.07465	1.2
187.11220	1.6
189.11327	1.8
193.08578	1.6
195.13774	8.5
199.14803	3.4
201.12791	1.8
210.08815	1.5
213.14784	2.5
217.15904	2.3
229.14258	9.5
229.19550	2.6
233.15483	1.9
239.17955	4.1
247.20505	1.8
251.16479	2.4
257.19037	7.4
269.17459	100.0
270.17715	1.4
275.20044	36.3
293.21109	4.6
309.20575	1.9
331.11401	1.5
349.23700	33.9
365.10266	1.5
367.24811	17.1
402.16318	1.3
420.15054	2.3
420.33374	3.9
421.16946	1.8
421.21756	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	420.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32902	3.4
53.03936	5.7
55.01855	5.5
55.05508	24.4
57.03427	11.8
57.07067	4.6
59.04981	4.4
67.05499	62.6
69.03418	13.8
69.07063	28.9
69.70571	22.0
71.04991	6.5
72.08147	5.5
79.05484	41.7
81.03413	11.2
81.07052	90.2
82.07409	4.4
83.04985	10.6
83.08590	21.4
85.02905	15.4
85.06548	8.2
91.05476	44.2
93.07034	55.2
94.07360	5.4
95.04964	16.5
95.08604	53.1
96.08915	7.1
97.02876	15.9
97.06533	14.6
97.10171	6.6
98.21466	7.4
99.08113	6.5
100.11258	6.8
103.05433	4.6
105.07013	38.6
106.07369	4.6
107.04927	15.2
107.08572	48.7
109.02874	7.5
109.06531	9.6
109.10136	33.3
110.10409	8.5
111.08057	8.1
117.07018	17.7
119.04876	5.3
119.08577	35.0
120.08896	5.2
121.06472	10.1
121.10132	26.9
123.04414	10.5
123.08054	3.8
123.11716	10.4
125.05975	5.0
125.09621	6.6
127.03928	12.2
128.79291	3.7
129.07004	9.2
131.08583	19.7
133.02969	4.0
133.06476	5.0
133.10123	31.9
134.10420	4.4
135.08002	6.7
135.11708	18.5
136.11908	4.5
137.06004	8.4
137.09546	4.4
139.07547	5.8
143.08574	7.5
145.06401	4.9
145.10106	16.6
146.10478	5.3
147.04399	9.5
147.08022	9.9
147.11685	15.6
148.08495	3.8
148.11977	6.0
149.09669	7.4
149.13181	24.6
151.07539	5.6
151.11147	5.1
151.14664	3.3
155.08469	3.9
157.10077	13.0
159.08035	4.9
159.11697	30.7
161.05988	4.8
161.13275	8.8
163.07564	6.1
163.11133	5.3
165.05418	4.2
167.07024	36.8
168.07387	9.2
171.11670	7.3
173.11792	6.3
173.13245	12.9
175.14839	4.0
177.12665	20.8
181.04958	7.1
183.11658	7.4
185.13275	6.4
186.13487	3.7
187.11122	4.1
187.14845	5.1
189.16386	6.7
191.14275	6.2
191.17899	7.3
195.13814	9.9
197.13222	7.2
210.08562	6.0
215.18106	4.0
219.17203	4.3
221.50696	3.6
229.06099	15.5
229.14241	17.7
229.62477	4.2
241.14145	5.6
251.16379	6.0
257.05542	10.3
257.18915	7.0
269.17453	100.0
275.20023	27.9
293.20923	5.2
349.23755	32.4
365.10211	16.8
367.24814	35.2
374.11414	4.7
376.07944	4.7
420.10648	46.5
420.15030	4.0
420.33337	28.4
421.08450	6.0
421.16437	11.4
421.34579	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	420.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05503	6.0
56.05046	1.6
56.96546	1.8
57.03431	1.7
59.04990	1.3
61.02916	3.2
64.42826	1.5
67.05498	4.9
69.03428	10.5
69.07052	2.4
70.06590	9.9
71.04979	4.7
71.61770	2.5
72.08148	22.9
73.02896	2.3
77.29995	1.5
79.05476	4.6
81.03407	6.9
81.07038	4.3
83.05000	4.8
83.08629	2.5
84.04534	2.9
84.08137	11.3
85.02894	27.9
86.06044	3.0
86.09693	4.2
87.04491	2.2
91.03943	1.7
91.05486	6.2
93.07016	12.2
95.01366	1.6
95.04963	5.9
95.08600	7.7
97.02901	10.4
97.06518	34.9
98.06049	5.7
98.09691	8.7
98.97559	2.5
99.04485	3.8
101.06008	3.5
103.05412	2.7
105.07017	4.5
107.04971	5.6
107.08597	15.3
107.96130	1.5
109.02869	6.6
109.06532	6.4
109.10159	7.7
110.06049	3.4
110.07162	3.2
111.04441	2.4
112.07558	2.8
115.08700	2.1
116.07039	2.6
116.98608	2.1
117.07010	2.6
119.04967	5.3
119.08575	13.3
120.98065	1.4
121.02853	3.0
121.06528	5.7
122.06054	2.3
123.04416	2.7
123.08069	7.7
124.07590	4.8
125.05999	2.0
126.09155	4.5
127.03928	11.3
128.10680	4.1
131.04910	2.1
133.06470	2.1
133.10149	9.3
134.99644	2.0
135.04366	2.8
135.08083	1.8
137.06013	2.6
137.09596	18.0
138.05463	9.8
139.07538	21.1
141.05473	2.8
145.04977	5.1
145.10159	2.7
147.04399	24.8
147.07986	2.7
148.04718	3.2
149.02400	2.1
149.09622	2.8
151.11176	29.8
152.07082	4.6
154.08626	4.7
157.07582	1.8
161.05946	2.3
161.09619	7.9
163.03909	6.4
163.08740	1.9
163.11131	4.0
164.04301	3.2
164.07077	6.5
165.09134	4.3
167.07068	3.8
168.82166	1.7
169.05025	2.2
172.09758	1.7
175.03955	2.8
177.05421	3.4
177.12808	3.1
179.10658	100.0
180.11018	1.7
182.08148	6.0
193.05031	8.2
193.06676	1.9
197.11737	37.0
197.13588	1.2
219.01981	1.9
223.13200	8.9
226.55821	1.9
234.99011	4.1
237.02742	2.0
241.08644	18.4
241.14326	48.9
258.13376	8.6
259.09622	16.0
259.11932	2.2
266.80173	1.6
304.55063	1.6
318.16708	3.2
329.70728	3.5
402.15201	2.2
420.09158	6.2
420.16193	17.4
420.22369	12.8
421.15952	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03941	2.2
57.03429	1.8
61.02928	0.5
68.69698	0.5
69.03423	11.6
70.06589	1.5
70.10871	2.8
71.04997	1.1
72.08145	5.7
73.02879	0.6
78.03453	7.0
80.05003	2.0
81.03410	14.4
82.06583	0.6
84.08120	1.0
85.02901	8.7
86.09679	0.7
87.04469	1.2
89.10785	0.8
96.04483	5.6
97.02879	6.9
99.04449	3.9
106.02906	42.2
109.02876	9.3
110.02386	1.2
115.08657	0.5
117.05455	1.5
119.04934	0.9
122.02393	0.7
124.03945	100.0
125.04359	0.5
127.03909	19.3
135.06444	0.6
137.06042	0.6
138.05496	1.2
138.97009	0.5
140.07100	0.5
145.04976	0.8
146.05995	1.9
147.04385	6.4
148.04811	0.7
152.06999	1.7
153.07590	0.9
166.05020	1.2
169.09685	0.7
218.11784	1.5
226.62990	0.7
232.06038	3.3
235.14415	1.8
235.64526	0.7
250.07095	15.6
251.07304	0.7
258.09607	1.0
268.08142	68.3
269.08511	0.9
289.09082	0.7
315.91690	0.6
381.18021	0.8
402.20200	0.6
420.14856	15.1
420.22888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.8
57.03429	18.3
59.04992	3.2
60.04530	2.4
61.02903	1.1
61.94688	1.1
63.75893	0.9
69.03423	64.9
70.06576	3.6
71.01349	1.2
71.08207	3.1
72.08134	1.3
73.02914	4.8
75.04487	3.0
76.02215	1.5
79.05487	3.4
79.25367	1.3
81.03432	4.1
84.04440	1.2
84.08130	1.3
85.02898	52.6
86.09692	1.3
87.04463	46.0
91.05473	100.0
92.05826	1.8
97.02885	71.2
98.06055	3.2
98.09661	1.9
99.04461	3.2
101.02356	1.0
103.03976	2.3
105.07034	5.1
107.04935	8.0
109.02859	2.5
111.04438	1.2
115.03922	87.1
116.04256	1.3
116.07106	1.5
117.05511	2.5
119.04981	1.4
121.02863	2.9
121.06522	3.2
123.04454	1.5
125.06802	1.2
127.03925	16.4
129.07104	1.3
133.04955	89.3
133.06554	4.4
144.06619	1.1
145.04967	12.0
145.06483	3.0
147.04417	2.7
150.07585	14.6
159.08011	1.3
161.04420	2.7
162.33643	1.1
163.03909	2.2
163.05991	2.9
169.04962	1.9
174.40620	1.1
175.07553	2.3
179.10657	3.3
189.01918	1.7
193.04907	1.3
205.08632	2.7
205.12289	1.1
217.08626	4.7
223.06139	1.4
223.09581	9.7
223.13190	2.1
235.09671	2.7
241.07004	2.0
241.14333	1.8
253.10718	4.3
259.08203	4.5
259.11096	5.9
261.16006	4.6
262.16400	2.7
277.09109	3.1
285.03818	1.8
294.05154	1.8
295.06796	1.0
295.10245	3.7
307.05966	5.6
308.06711	1.7
312.78745	1.2
321.07648	1.6
325.07037	3.3
336.09857	1.3
347.09216	2.5
351.08463	2.1
365.10181	3.1
366.93356	1.5
375.08658	3.4
403.08127	10.8
420.18613	2.2
421.09134	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	419.3518
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
50.62307	0.3
50.87789	0.2
53.03931	0.7
55.01878	1.4
55.05513	3.0
57.03425	0.5
57.07076	2.2
61.69324	0.3
65.03943	0.3
67.05504	9.7
69.07064	3.7
69.32442	3.2
71.04988	0.4
71.08638	2.1
79.05487	1.1
81.07053	10.0
83.04995	0.4
83.08630	2.5
85.06532	0.6
85.10146	0.8
91.05476	4.3
93.07043	27.0
95.04975	1.8
95.08607	21.1
95.09118	0.5
97.06522	0.7
97.10159	1.7
99.00349	0.2
105.04527	0.3
105.07034	0.8
107.08585	3.5
109.06490	0.6
109.10156	4.6
111.08080	14.0
111.08850	0.7
111.11709	1.2
119.08549	0.6
121.06495	1.6
121.10136	1.2
123.08089	0.7
123.11710	3.4
125.09626	1.1
127.07549	2.9
135.08083	0.4
135.11656	0.8
137.09605	0.4
137.13237	1.0
139.07541	10.4
149.09555	0.4
151.11194	0.4
151.14867	0.4
153.09096	6.8
153.91144	0.3
157.08600	2.6
163.11076	0.4
165.09143	0.4
167.10672	4.5
172.05377	0.3
180.10213	0.4
181.12201	3.8
191.18102	0.3
195.13791	2.9
207.13823	0.7
209.15358	2.0
221.15317	0.5
223.16985	0.8
237.18449	0.4
251.20062	0.7
265.21631	1.1
279.23218	1.1
293.24597	0.5
321.27969	0.4
401.34216	2.6
419.35187	100.0
420.35608	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	419.3517
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
52.13651	0.3
53.03946	0.5
55.01853	1.4
55.05507	2.9
57.03424	0.5
57.07071	1.7
60.50318	0.4
67.05166	0.5
67.05504	8.1
68.43338	0.3
69.07064	3.1
69.65783	2.3
71.08634	1.6
73.44260	0.3
79.05495	1.5
81.07053	8.4
83.04944	0.5
83.08597	1.6
85.10181	0.5
91.05479	3.3
93.07041	19.2
95.04985	1.8
95.08604	16.5
95.09232	0.6
97.06509	0.5
97.10162	1.3
97.28848	0.4
107.08595	1.7
109.10152	4.5
111.08076	11.5
111.11696	0.7
111.34785	0.3
119.08538	0.5
121.06516	1.6
121.10134	1.1
123.11717	2.4
125.09624	1.0
127.07534	2.9
135.08035	0.8
135.11682	0.4
137.13251	0.9
139.07538	11.7
139.08611	0.6
141.09135	0.3
149.09613	0.5
151.11177	0.5
153.09109	5.4
157.08578	2.1
167.10674	3.7
177.37729	0.3
181.12216	2.9
195.13808	2.4
198.48264	0.3
204.39029	0.3
207.13858	0.8
209.15388	1.8
223.16902	0.7
237.18504	0.6
244.76230	0.4
248.87633	0.3
251.20032	0.8
265.21652	0.8
277.21442	0.5
279.23260	0.7
293.24826	0.3
306.23502	0.4
349.89667	0.3
401.34192	2.4
419.35181	100.0
420.35498	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3515
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03951	1.4
55.01864	1.7
55.05508	11.9
57.03424	0.9
57.07067	4.5
59.68713	0.9
65.03931	0.9
67.05503	14.8
67.39652	0.9
69.07063	16.4
70.14422	0.9
71.08630	2.0
71.37324	1.8
79.05500	3.6
81.07054	19.1
83.04956	1.5
83.08616	7.9
85.10191	1.5
91.05474	6.8
91.96510	1.0
93.07042	27.1
95.04989	2.3
95.08604	31.7
97.06496	1.3
97.10173	3.9
105.06992	5.3
107.08588	8.6
109.06521	5.3
109.10136	10.8
111.08072	12.7
111.11732	3.4
113.00011	1.1
117.07001	1.4
119.08604	4.5
121.02911	1.5
121.06516	2.8
121.10169	4.5
123.08065	4.2
123.11700	7.7
125.06055	1.0
125.09684	1.7
127.07518	2.6
131.08585	1.8
131.36563	1.2
133.03055	1.0
133.10147	4.5
135.08034	2.0
135.11722	2.9
137.05994	2.8
137.09613	3.0
137.13255	3.2
139.07516	12.7
145.10150	2.4
147.11711	1.4
149.09572	0.9
151.11182	5.0
153.05487	2.7
153.09084	12.4
155.06995	1.1
157.08641	3.9
157.10112	2.0
159.11682	2.2
165.09135	4.3
165.12677	1.8
165.16386	0.9
167.10651	6.1
173.13226	1.0
177.12715	1.3
179.10651	9.4
181.12204	5.5
185.13275	1.3
189.12685	1.0
189.33687	1.1
193.12277	3.7
195.13811	7.8
197.13264	1.0
199.14944	1.1
205.12292	2.9
207.13831	12.7
209.15465	1.9
219.13713	1.4
221.15372	5.0
231.13953	1.2
249.18559	1.6
257.18707	1.1
263.20047	1.4
265.21606	2.3
266.79807	1.0
275.20093	1.2
401.34171	24.5
402.34814	1.2
419.15179	8.2
419.35226	100.0
420.35672	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	419.3155
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
55.05497	8.1
56.96552	1.7
57.03402	2.1
57.07064	4.2
67.05494	9.8
68.07633	1.6
69.03419	2.0
69.07068	9.4
69.99529	8.1
74.62691	1.7
79.05469	6.3
81.07053	29.1
83.08608	5.2
91.05453	11.8
92.34316	1.9
93.07039	23.9
95.08601	42.8
97.10156	3.6
98.21400	2.8
103.05487	2.7
105.03414	1.9
105.07030	27.5
107.08583	39.9
109.10158	21.8
111.08048	2.3
119.08572	39.8
121.06478	2.8
121.09296	3.3
121.10140	46.9
123.04373	2.0
123.08079	3.2
123.11697	8.1
131.08586	5.3
133.10132	45.0
135.11684	29.0
137.09534	1.7
137.13258	3.4
139.07510	2.1
143.08588	3.8
145.10115	24.8
147.04427	2.4
147.11682	38.8
149.09549	2.0
149.13219	8.2
151.11235	2.1
157.10088	5.8
159.10435	2.5
159.11691	36.4
161.13254	18.9
163.14835	7.2
165.09081	2.4
169.10149	2.6
171.11665	6.2
173.13313	13.8
175.14859	10.2
177.09108	1.6
177.16367	7.5
179.14207	2.2
181.12207	5.5
183.11699	2.7
183.15892	1.8
185.13202	4.4
187.14825	25.2
189.16367	88.7
191.17934	6.6
193.12193	12.7
195.13785	5.2
199.14792	3.6
201.16365	29.8
203.10536	2.1
203.17896	7.7
207.13747	9.0
207.17461	10.7
213.16423	2.5
215.17900	12.5
216.18388	2.0
217.19501	1.6
219.13791	2.4
221.15375	4.5
221.18921	2.7
229.19557	5.4
243.21017	2.2
247.16917	3.3
251.00233	8.6
253.19646	1.9
254.22641	1.8
261.18411	2.2
296.95444	1.8
304.79758	1.6
323.27280	4.3
348.02829	2.8
365.28394	3.2
383.29428	100.0
384.29730	6.3
391.15369	7.7
401.19382	2.1
401.26526	1.7
401.30524	19.4
404.12460	3.0
419.14786	16.8
419.32550	9.7
420.05090	2.9
420.14771	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	419.3517
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
50.11459	0.7
52.21835	0.6
53.03936	2.1
53.57545	0.6
55.01860	0.8
55.05510	10.9
57.07079	6.6
65.03928	1.6
65.34048	0.7
67.05497	3.6
69.03445	0.6
69.07064	22.2
71.06836	1.5
71.08618	3.6
74.06530	0.7
78.36517	0.6
78.90865	0.6
79.05484	7.7
81.07052	7.9
82.62760	0.7
83.04973	7.2
83.08611	10.9
85.10159	2.6
85.98490	0.8
91.05480	7.9
93.07043	4.3
95.04957	2.6
95.08596	4.5
97.10165	6.2
102.96056	0.7
105.07010	2.0
107.08595	1.5
109.06509	23.7
109.07249	1.2
109.10163	2.5
111.11716	2.6
119.08569	1.9
121.06495	0.7
121.10127	0.7
123.08053	2.0
123.11761	1.0
125.05978	7.3
125.13240	1.3
131.08578	0.7
133.10075	0.9
135.08028	1.1
135.11635	1.1
137.05971	86.6
137.13229	0.8
138.06265	1.2
139.07565	1.1
149.09575	1.1
151.06409	1.3
151.07539	15.9
155.07024	17.3
155.08226	1.2
159.11693	1.0
163.07471	1.4
163.11169	0.8
165.09120	10.3
175.11215	0.7
177.09097	1.0
177.12708	0.8
178.08606	2.0
179.10674	6.1
191.10696	1.7
193.12241	5.7
198.93907	0.8
205.12315	2.1
207.13779	4.3
219.13829	1.7
221.15382	2.7
235.16824	1.1
247.17101	0.9
249.18542	1.9
263.20090	2.4
275.20105	1.5
277.21600	1.3
319.26398	1.1
345.98154	0.7
383.32932	1.0
401.34128	27.5
402.34140	1.0
419.35181	100.0
420.35641	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	419.3516
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03930	1.3
55.05504	7.4
57.07067	4.6
65.03925	0.7
65.26830	0.4
67.05488	2.2
69.06718	0.8
69.07066	12.7
69.32076	2.3
69.32502	3.2
71.08628	2.7
77.34880	0.5
79.05491	4.6
81.07052	6.1
83.04977	4.7
83.08135	0.6
83.08612	8.9
85.10167	2.3
89.00960	0.6
90.08250	0.6
90.30901	0.5
91.05476	6.4
93.07046	2.0
95.04951	1.3
95.08589	3.8
97.10157	4.5
99.35310	0.5
105.07001	1.7
107.08572	1.4
109.05779	1.2
109.06513	18.2
109.10149	1.8
111.11687	2.1
119.08543	0.9
121.06506	0.5
121.10139	0.8
123.08055	1.4
123.11693	1.0
125.05980	4.9
126.32047	0.6
131.08681	0.7
133.10168	0.7
135.08028	0.6
135.11691	1.0
137.05971	75.0
137.13206	0.8
138.06284	0.9
139.07494	0.8
145.10080	0.9
149.13239	0.6
151.07538	16.4
153.09131	0.9
155.07007	6.0
159.11697	1.1
163.07524	1.0
165.09125	9.2
177.09114	1.1
177.12691	0.6
178.08601	1.2
179.10672	5.8
191.10687	1.4
193.12234	6.1
193.75600	0.5
196.68718	0.6
205.12161	2.6
207.13806	3.8
219.13744	1.0
221.15352	1.7
237.21037	0.5
249.18593	1.0
261.18527	0.6
261.71014	0.5
263.20071	1.9
275.20059	0.7
277.21652	1.0
289.21799	0.8
305.24774	0.8
333.27863	0.6
345.27808	0.8
401.34128	25.1
402.34485	1.1
419.35168	100.0
420.35529	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	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74305	1.6
53.03950	8.4
55.01866	11.6
55.05505	4.5
57.03423	5.9
57.07074	21.7
59.04996	10.7
59.20981	1.1
60.13926	1.4
61.02920	4.7
67.05510	9.7
68.99783	3.1
69.03073	2.7
69.03427	42.8
69.07059	14.4
69.38881	8.1
69.39299	5.1
70.06590	1.8
71.04986	4.1
71.08605	1.8
72.08142	4.5
73.02909	7.1
77.83433	1.2
78.49593	1.5
79.05488	3.6
80.14810	1.2
81.03413	36.7
81.07062	7.5
83.01322	1.8
83.04977	1.9
83.08613	3.2
84.08084	1.4
85.02900	61.9
85.06539	11.0
87.00829	22.5
87.04485	1.7
91.03940	3.0
91.05476	3.3
93.07056	7.6
95.04974	5.3
95.08601	61.5
97.02888	23.4
97.06533	7.1
97.10159	1.9
99.04456	15.1
99.08079	12.9
100.33231	1.5
105.01867	21.6
105.07029	3.0
107.04971	2.3
107.08577	7.7
109.02873	35.6
109.06505	9.1
109.10157	16.2
111.08063	8.4
111.11716	3.9
113.09637	63.7
115.03944	5.3
117.01868	5.2
119.04949	2.1
121.06507	1.5
123.04389	2.2
125.02341	1.4
127.03910	55.7
127.11192	9.9
129.01828	5.7
135.04422	2.0
135.11690	12.2
137.02313	1.9
137.13232	9.1
145.04950	21.0
147.02820	4.8
147.04387	3.9
149.02420	1.7
151.03906	2.1
153.12737	100.0
154.13057	3.3
155.14301	33.2
156.04329	1.4
159.02898	21.3
163.03911	2.4
165.01833	2.0
167.07042	15.4
170.91743	1.5
171.13777	16.3
177.01740	1.4
177.05463	4.3
177.12784	1.5
181.05034	1.8
183.02911	3.3
189.03918	1.7
191.03387	1.6
195.02896	5.4
203.60393	1.4
209.08101	3.4
213.03961	2.7
213.14902	4.2
219.02914	3.2
219.04933	2.2
231.04993	12.1
245.04468	2.5
247.04651	1.5
249.06050	1.7
263.05405	3.8
265.05814	1.8
299.05414	4.7
300.06097	1.8
313.06943	1.5
315.08621	2.1
329.06516	4.2
330.10843	2.2
337.06805	2.6
353.06613	3.5
383.07584	4.5
401.08273	1.9
419.09744	4.1
419.18271	7.1
424.47324	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	419.1486
Annotation	Ulexin C
Peak:m/z	Relative Intensity
55.01868	0.5
55.05523	0.5
67.05486	1.6
69.07063	0.8
70.00804	2.4
79.05486	0.6
81.07036	1.8
83.08596	0.7
91.05457	0.9
93.07022	0.5
95.04956	0.6
95.08602	1.1
105.07011	1.5
107.08582	0.6
109.06499	1.2
116.93861	0.6
119.08588	1.5
121.02817	0.6
123.04422	1.7
123.11665	0.6
123.38390	0.4
123.81786	0.4
125.05865	0.5
129.06989	0.6
129.78157	0.5
133.02863	0.6
133.10095	1.0
135.04422	0.7
137.02330	3.4
137.05898	0.5
143.08505	0.5
145.06499	0.4
147.11678	0.5
149.02338	1.2
151.03879	1.4
157.10016	0.6
159.04411	1.1
159.07986	0.6
169.06461	0.7
171.07999	0.7
171.11746	0.8
181.06464	0.8
183.08003	0.5
189.12762	0.5
195.08060	0.9
197.05937	0.5
199.07492	0.5
201.01779	0.4
211.07509	0.9
213.05388	2.2
215.06999	0.7
223.07722	0.6
225.09010	0.8
226.09813	0.4
237.05423	0.7
239.06900	0.6
239.10782	0.5
243.06540	0.7
249.09335	0.5
267.10214	0.5
285.08536	0.8
285.11276	8.7
311.05487	1.0
321.07510	0.8
323.05466	1.0
331.09543	0.7
333.07596	1.4
334.08331	0.7
335.09149	1.6
337.07028	2.1
343.09628	0.9
347.09180	4.0
348.09827	0.7
349.06961	1.4
349.10794	1.2
350.07730	0.8
357.07523	0.7
357.11429	0.7
359.09131	2.6
361.06836	0.9
361.10767	1.3
363.08365	0.7
365.10175	7.1
371.09064	3.3
375.12473	0.7
377.09885	3.2
383.12811	1.7
385.10690	1.1
386.11359	1.2
389.10233	1.5
391.11346	0.8
401.13770	6.4
403.11896	0.9
404.12405	1.5
419.14874	100.0
419.33060	1.4
420.15164	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	419.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.5
69.68071	26.3
70.06580	5.2
71.04967	4.5
72.08147	16.8
76.96053	3.4
79.05479	13.4
85.02908	5.8
86.09688	4.3
91.05473	5.5
93.07023	2.9
95.04953	7.5
95.08574	3.3
103.05488	5.1
105.07036	11.9
107.04941	13.6
115.05452	4.4
119.08572	3.5
121.02878	3.9
123.04379	5.8
124.05215	3.9
127.03919	3.5
132.05734	3.4
133.06483	11.8
145.06450	7.8
145.25653	3.6
147.04433	5.5
149.62497	3.3
159.08072	7.4
161.05981	16.9
163.03915	6.4
167.07042	56.7
173.05975	4.7
187.07567	5.3
193.08566	22.7
205.08595	10.5
208.05186	13.4
217.08604	11.5
218.07149	3.4
219.08029	4.3
220.09003	4.8
221.06073	4.7
236.04816	4.4
247.07454	3.5
247.09720	13.9
254.05699	11.4
256.06686	3.2
269.08075	19.1
270.08450	3.1
282.05240	4.8
282.08759	8.4
291.10150	6.1
296.28625	3.2
299.05460	4.4
307.09619	4.8
315.08615	78.2
316.09225	3.6
319.09592	4.8
323.12808	4.8
330.10980	100.0
331.11777	3.6
343.11679	7.4
351.12119	7.5
369.13272	5.9
371.15106	4.3
372.39514	3.3
383.07681	5.9
383.14896	13.6
401.15881	11.1
419.18927	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.2
55.01869	7.8
55.05508	6.1
57.03426	3.7
61.91525	2.2
65.03920	4.4
67.05485	9.1
69.03426	14.8
69.07051	8.9
69.49602	20.3
71.04980	4.0
71.08649	2.4
72.08143	2.9
78.04710	3.3
79.05489	16.6
81.03413	6.1
81.07053	22.8
83.08607	3.4
83.93029	2.6
85.02895	8.3
85.06529	4.8
91.05481	13.6
93.03413	2.6
93.07024	16.5
95.04958	7.3
95.08594	20.4
97.02872	5.1
97.06503	4.5
99.04442	2.4
103.05449	9.0
105.07024	18.4
106.04161	2.8
107.04954	21.2
107.08575	14.4
109.02882	6.8
109.06506	7.4
109.10151	18.7
111.04474	2.7
111.08070	3.1
115.05458	3.5
117.06996	4.6
119.04955	3.7
119.08587	14.0
121.06511	6.7
121.10139	9.7
123.04398	9.1
123.08067	4.5
123.11680	7.8
124.05242	3.5
125.02250	2.4
125.05988	6.8
125.09621	2.7
127.03872	2.7
129.06973	3.8
131.04922	16.3
131.08537	9.4
133.02774	2.2
133.06488	10.2
133.10071	10.4
134.06871	2.5
135.04410	6.3
135.08089	2.8
135.11699	7.5
137.05963	4.9
137.09669	5.5
137.64806	2.4
139.07549	3.5
140.05794	2.5
143.08574	2.9
145.06447	4.8
145.10135	6.4
147.04428	6.8
147.11703	5.6
149.05969	8.3
149.13208	4.1
151.03952	4.0
153.01826	24.3
153.05453	6.2
156.05696	4.1
157.10101	4.0
159.08086	8.0
159.11707	6.7
161.05974	13.6
161.13234	2.9
162.03151	2.4
162.06366	5.3
163.03870	5.3
163.07564	3.4
165.01842	7.3
165.09067	2.6
167.03407	3.3
167.07033	100.0
168.07344	13.3
169.10124	2.4
171.06429	2.6
173.06006	6.7
173.13226	3.1
175.14874	3.4
175.59908	2.3
177.05496	11.6
179.07101	5.4
180.07782	6.4
181.05000	16.4
181.06416	3.3
181.08450	8.9
182.05260	7.6
183.02858	7.2
183.06482	5.0
183.09674	2.3
187.07530	6.1
189.16406	3.2
191.03487	3.6
191.07030	4.4
193.08530	9.7
194.08987	2.4
195.02841	18.1
195.06520	4.0
197.08118	5.3
199.09616	2.7
201.16391	4.6
205.08636	7.6
207.06532	6.8
208.05159	12.8
209.08076	13.9
210.08783	2.8
211.07486	2.5
213.07465	2.4
213.12418	2.4
217.08612	13.8
219.02856	6.1
219.08156	3.3
219.10158	2.8
221.07961	2.5
231.08034	2.5
236.04738	8.5
239.06897	2.2
245.04314	5.1
246.06741	2.3
246.09286	2.3
247.07599	4.0
247.09718	8.8
254.05786	9.4
255.06526	4.4
257.08078	50.7
263.05527	8.8
263.10416	3.2
265.08707	2.6
269.08075	31.6
271.09738	3.8
272.06818	4.0
276.07657	3.6
282.05405	3.9
282.08823	9.1
285.07483	2.6
287.09116	4.2
291.10190	5.0
293.08008	3.7
297.07684	3.7
299.09140	4.8
310.08368	2.8
315.08609	77.9
319.09583	4.2
323.09103	5.7
323.12708	3.4
328.09344	3.2
330.10919	99.2
331.11508	3.8
335.09003	4.5
336.09750	3.8
337.10687	2.6
339.12158	3.8
343.11710	8.3
351.12259	10.3
353.10150	4.1
356.12808	2.6
365.10095	4.7
369.13373	5.3
383.10916	5.8
383.14868	19.9
383.19531	3.8
401.16165	14.2
401.26700	4.5
419.15741	11.3
419.23273	8.0
419.27954	6.4
419.32584	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1487
Annotation	Kraussianone 1
Peak:m/z	Relative Intensity
50.63609	0.4
55.05502	1.0
57.07060	0.6
61.60632	0.4
66.14932	0.5
67.05492	1.3
69.03416	0.5
69.07047	1.8
69.56067	2.7
69.56490	1.4
71.08604	0.6
79.05476	1.6
79.39639	0.5
81.07035	3.2
83.08595	0.6
88.07554	0.5
91.05458	1.2
93.07029	1.3
95.04936	1.1
95.08633	2.4
105.03369	0.6
105.07044	2.5
107.04964	0.9
107.08572	1.6
109.06494	2.5
109.10146	1.2
111.08080	0.6
117.06980	0.7
119.08598	1.7
121.10137	0.7
123.04401	1.5
123.11696	0.5
129.07056	0.6
131.08559	1.1
133.06467	0.7
133.10094	0.8
134.35893	0.5
135.04396	1.2
135.08102	1.3
135.11719	0.6
137.02292	1.4
137.53160	0.4
143.08542	1.2
145.10124	0.8
147.08034	1.1
147.11618	0.8
149.02332	1.1
149.05937	0.6
151.03896	0.8
153.05473	0.7
155.08554	1.1
156.09445	0.5
157.10133	0.9
159.08012	0.8
161.02325	2.2
161.05882	0.8
161.20883	0.5
163.51280	0.5
165.07059	0.6
171.11673	0.5
175.07521	0.9
185.06024	0.6
187.07530	0.9
189.05424	0.6
189.12758	1.4
193.10103	1.2
197.05927	0.7
199.07568	0.7
201.05478	0.8
207.02875	0.8
213.05489	1.7
215.07013	0.5
215.10745	0.5
221.09622	0.6
225.05527	1.1
225.09003	0.7
227.07060	1.3
229.04855	0.6
231.06326	2.5
239.10629	0.8
243.06485	1.9
245.04427	1.0
252.07870	0.6
255.06508	0.9
257.00824	0.5
257.08087	0.7
257.11932	0.8
267.10126	2.2
273.07571	0.7
285.11194	10.3
293.08112	0.6
312.88712	0.5
329.07986	0.8
335.09131	0.8
343.09726	1.1
345.02725	0.6
347.09116	1.0
349.14349	0.7
357.11044	0.6
359.08990	0.8
361.10745	0.5
363.08685	0.7
365.09958	3.1
371.08957	1.2
377.10135	1.8
383.12811	0.8
401.13733	5.5
404.12650	1.1
418.39063	1.3
419.14847	100.0
419.33676	2.5
420.15176	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	419.1485
Annotation	Ulexin C
Peak:m/z	Relative Intensity
55.05497	1.3
60.26193	0.4
63.80483	0.5
67.05489	1.6
68.68014	0.4
69.03413	0.5
69.07056	1.7
70.06592	0.6
71.63634	0.7
79.05485	0.8
81.07048	2.3
81.44362	0.5
83.04985	0.5
83.08614	0.7
85.48019	0.5
89.06017	1.5
91.05479	1.1
93.07034	1.4
95.04970	1.2
95.08577	1.4
103.05441	0.5
105.04684	0.5
105.07015	6.5
107.08563	1.3
109.10153	1.3
115.05439	0.6
117.07051	0.7
119.04948	0.6
119.08571	1.1
121.06498	3.3
121.10130	1.4
123.04424	2.3
123.11646	0.5
127.03843	0.5
131.08580	0.7
133.08582	1.1
133.10149	1.1
137.02357	2.8
143.08498	0.9
145.06534	0.8
145.10133	0.5
149.02328	0.9
149.09753	0.5
149.13319	0.6
151.03899	1.8
157.10164	0.5
159.04439	1.0
159.08104	0.7
161.02260	0.8
165.06982	0.8
165.09099	0.8
171.08109	0.7
171.11734	0.5
179.03365	0.4
180.09236	0.4
185.06085	0.5
193.10114	0.5
195.08098	0.6
195.44229	0.5
199.07591	0.5
211.07532	0.9
213.05418	2.2
217.10080	0.5
224.07883	0.5
225.05392	0.5
225.09087	0.9
241.12231	1.3
245.18713	0.5
267.10098	1.4
301.08658	0.5
311.05521	1.5
315.18021	0.7
319.09586	0.8
321.07501	1.1
323.05432	1.0
325.07071	0.9
333.07562	1.0
334.08429	1.5
335.09155	1.7
337.07092	2.1
343.09348	0.7
347.09128	3.8
348.09616	0.6
349.06897	1.0
349.10727	1.1
350.07944	1.0
357.11209	0.7
359.08957	3.1
359.12759	0.4
361.06778	0.7
361.10797	1.6
363.08533	1.8
364.09412	0.5
365.10263	7.5
371.09125	4.4
372.09750	0.8
373.14536	0.9
375.08136	0.7
375.12390	1.0
377.10153	3.1
383.12830	1.8
385.10687	1.1
386.11563	1.3
387.12216	0.9
389.10291	1.6
401.13821	6.4
401.34329	1.0
403.11780	1.3
404.12421	2.0
418.39230	1.4
419.14862	100.0
420.15228	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	419.1482
Annotation	Ulexin C
Peak:m/z	Relative Intensity
54.73594	0.2
55.01875	0.3
55.05495	0.4
59.63649	0.2
59.64959	0.2
59.65303	0.2
67.05482	0.7
69.03423	0.2
69.07052	0.4
77.05595	0.2
79.05499	0.4
81.07037	1.2
83.04950	0.2
83.08574	0.3
86.93217	0.2
91.05476	0.8
93.07037	0.6
95.04964	0.6
95.08589	0.5
105.07024	0.6
107.04942	0.3
107.08577	0.6
109.06509	0.3
109.10163	0.5
117.06984	0.2
119.08590	0.5
121.02882	0.4
121.10137	0.4
123.04443	1.6
123.11728	0.3
129.06973	0.2
131.08525	0.3
133.02858	0.3
133.10106	0.4
135.04442	0.3
135.11647	0.3
137.02321	2.6
143.08548	0.4
145.10069	0.4
147.04443	0.3
149.02388	0.4
151.03929	1.4
157.06488	0.3
159.04396	0.7
161.02328	0.6
169.06483	0.5
171.04393	0.3
171.08002	0.3
171.11743	0.3
173.06079	0.3
175.07512	0.3
179.03490	0.3
180.09349	0.3
181.06454	0.3
181.10106	0.3
183.08099	0.4
185.05916	0.4
187.03920	0.3
187.07445	0.4
189.05458	0.4
189.16461	0.3
193.10179	0.6
195.08000	0.2
199.07492	0.6
201.05453	0.3
203.06879	0.2
205.10046	0.2
207.02838	0.4
207.35229	0.3
208.08720	0.3
211.07516	0.6
213.05453	1.8
217.10033	0.3
219.08028	0.3
221.09608	0.5
223.11212	0.4
225.05461	0.4
225.09061	0.3
226.09926	0.4
231.06459	0.5
237.09074	0.3
239.10730	0.3
241.12274	0.3
246.10219	0.3
247.07664	0.3
249.09206	0.4
253.08467	0.5
261.09146	0.5
265.08386	0.3
267.10178	0.7
275.10522	0.4
277.08511	0.3
281.07852	0.2
283.06104	0.2
285.11377	0.5
289.08304	0.3
290.09430	0.3
293.08054	0.3
295.06088	0.3
303.10110	0.6
305.07971	0.3
306.08917	0.4
307.06003	0.3
311.05499	1.1
319.09570	0.6
321.07565	1.2
321.10968	0.3
323.05511	0.9
323.09021	0.3
329.07962	0.3
330.08688	0.2
331.09616	1.0
333.07452	0.8
333.11118	0.3
334.08307	0.8
335.05554	0.2
335.09094	0.9
337.06976	1.6
339.08759	0.3
340.10965	0.4
343.09644	0.8
345.14948	0.3
347.09134	3.4
348.09808	0.8
349.06903	0.8
349.10687	1.7
350.07813	0.3
357.07462	0.6
357.11383	0.4
358.11893	0.3
359.08929	1.9
359.12592	0.3
361.06854	0.7
361.10803	0.9
363.08557	1.5
363.12180	0.4
364.09323	0.5
365.10175	6.0
366.10382	0.4
371.09067	2.7
371.13101	0.4
372.09711	0.5
373.10294	0.5
373.14471	0.5
375.08423	0.6
375.12238	0.7
377.09961	2.5
379.11533	0.3
383.12714	1.4
385.10681	1.1
386.11374	0.8
387.12183	0.5
389.10117	1.3
390.10815	0.3
391.11401	0.4
391.15784	0.4
401.13846	5.4
402.14240	0.3
403.11768	1.0
404.12405	1.7
419.14835	100.0
420.15186	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	419.1485
Annotation	Ulexin C
Peak:m/z	Relative Intensity
55.05484	0.3
55.74110	0.2
67.05500	1.0
69.03424	0.3
69.07044	0.3
69.57464	1.2
69.57879	0.4
69.76266	0.2
79.05479	0.4
81.07032	0.6
82.42257	0.2
83.08578	0.3
91.05456	0.6
93.07037	0.4
95.04971	0.3
95.08598	0.8
105.03393	0.3
105.07008	0.5
107.08586	0.8
109.06498	0.3
109.10121	0.6
117.07014	0.4
119.08556	0.5
121.02896	0.3
121.10133	0.5
123.04412	1.2
129.06984	0.4
131.08569	0.5
133.02817	0.2
133.10097	0.4
135.04399	0.4
135.11673	0.2
137.02339	1.9
137.03323	0.3
143.08568	0.6
145.10135	0.3
147.04385	0.3
147.11636	0.2
149.02321	0.7
149.09569	0.2
151.03874	1.0
155.08595	0.3
157.06458	0.4
157.10147	0.3
159.04402	0.6
159.11668	0.4
161.02393	0.3
165.06984	0.3
169.06494	0.3
169.10098	0.2
171.08015	0.5
173.06009	0.2
173.13184	0.2
177.01704	0.3
187.07536	0.3
187.14752	0.2
189.05446	0.4
193.10139	0.5
195.07961	0.3
195.11757	0.3
203.07024	0.3
211.07491	0.3
213.05396	1.5
219.08051	0.3
221.06033	0.3
225.05418	0.6
225.09070	0.4
226.09851	0.5
231.06430	0.3
237.05415	0.2
239.06999	0.3
239.10677	0.2
241.12242	0.3
245.09756	0.3
253.08620	0.5
260.08374	0.2
267.10138	1.0
275.10593	0.5
295.05951	0.3
301.08560	0.4
301.48956	0.2
303.09988	0.5
306.08893	0.2
311.05490	1.4
315.10040	0.3
319.09634	0.6
321.07568	0.6
321.11414	0.3
323.05499	0.5
325.07025	0.3
331.09564	0.8
333.07568	0.6
334.08203	0.8
335.09198	0.8
337.07062	1.5
337.10657	0.3
340.10962	0.3
343.09586	0.7
345.14697	0.3
347.05225	0.4
347.09088	3.3
348.09836	0.3
349.07202	0.5
349.10718	0.8
350.07422	0.4
351.08456	0.2
357.07526	0.5
357.11356	0.5
358.11789	0.4
359.09119	2.4
359.12979	0.4
361.06903	0.9
361.10767	1.0
362.07614	0.5
363.08575	0.9
364.09454	0.5
365.10181	5.5
371.09070	2.8
372.09589	0.5
373.10574	0.7
373.14569	0.5
375.08240	0.5
375.12195	0.7
376.09308	0.9
377.09988	2.6
383.12598	1.4
385.10513	1.6
386.11172	1.0
387.12158	0.2
389.10156	1.2
390.10910	0.3
391.11072	0.5
391.15414	0.6
401.09061	0.4
401.13837	5.9
403.11783	1.0
404.12271	2.4
419.14832	100.0
420.15182	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	419.1488
Annotation	Ulexin C
Peak:m/z	Relative Intensity
55.01870	0.3
55.05490	0.5
57.07068	0.4
67.05509	1.6
69.03421	0.4
69.07060	0.7
69.76698	0.8
69.77126	1.4
79.05482	0.9
81.07049	1.3
83.04955	0.4
86.45065	0.3
91.05470	1.2
93.07037	1.0
95.04961	0.8
95.08592	1.4
98.21456	0.5
101.93185	0.4
105.07030	1.2
107.04939	0.6
107.08587	1.2
109.06503	0.7
109.10146	0.7
119.04902	0.3
119.08585	1.2
121.06470	0.4
121.10142	0.9
123.04420	1.4
129.07030	0.8
131.08560	0.5
133.10144	0.8
135.04301	0.6
135.11702	0.8
137.02350	2.9
137.05942	0.4
141.06996	0.4
143.08540	0.4
145.10133	0.6
147.04384	0.6
149.02292	0.8
149.13263	0.5
151.03932	1.4
157.06525	0.5
157.10121	0.7
159.04433	0.5
159.11635	0.6
161.02379	0.4
165.06985	0.4
167.07074	0.7
167.08414	0.4
169.06424	0.4
169.10086	0.5
171.08112	0.6
171.11679	0.6
173.13292	0.5
173.33356	0.3
179.03317	0.3
185.13245	0.4
189.05498	0.5
189.16359	0.4
193.10149	0.4
195.03035	0.4
195.11610	0.4
197.05922	0.6
199.07578	0.5
211.07518	0.6
212.08150	0.4
213.05438	1.3
225.05536	0.7
225.09042	0.5
239.07045	0.7
245.04610	0.5
245.09673	0.5
249.08998	0.4
251.06889	0.4
253.08812	0.4
267.10156	0.9
275.10730	0.4
277.08710	0.5
281.77771	0.4
292.32239	0.4
293.08261	0.5
295.21112	0.4
303.10254	0.4
307.06012	0.4
309.13092	0.4
311.05560	1.2
319.09604	0.5
321.07666	0.7
323.05600	0.6
325.07071	0.8
329.08145	0.5
331.09381	0.8
333.07645	1.1
334.08310	1.3
335.09232	1.3
337.06989	1.9
343.09509	0.5
345.07648	0.4
347.09137	3.9
348.09781	0.7
349.06943	0.8
349.10797	1.5
350.07938	0.6
353.09995	0.5
357.07596	0.5
359.09027	2.4
361.06821	0.6
361.10760	1.4
363.08502	1.2
364.09485	0.7
365.10159	5.7
371.09052	2.8
373.10577	0.7
375.12378	0.5
377.10120	2.6
377.14197	0.5
383.12778	1.7
385.10895	1.1
386.11310	0.9
387.12003	0.4
389.10144	1.3
391.11313	0.7
391.15674	0.7
401.13947	6.2
403.11679	0.9
404.12439	3.3
415.44800	0.3
419.14868	100.0
419.33163	1.5
420.15234	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	419.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46698	0.4
55.01858	0.5
55.05495	0.9
57.03416	0.6
57.07060	0.4
59.23395	0.4
63.65117	0.4
65.03948	0.4
67.05482	1.2
69.01442	0.4
69.03423	0.8
69.07046	0.4
69.33172	0.8
69.33574	4.0
79.05480	1.2
81.07042	2.6
83.04965	0.5
91.05460	0.9
93.07028	1.3
95.04961	1.1
95.08598	1.2
98.21547	0.5
105.07017	1.4
107.04946	1.1
107.08578	1.0
109.06506	1.4
109.10154	0.6
115.05418	0.4
117.07018	0.8
119.04883	0.7
119.08579	1.5
120.94809	0.4
121.02934	0.4
121.06516	0.5
123.04410	1.7
128.06247	0.6
129.06985	0.9
129.15311	0.4
131.04910	0.5
131.08525	0.9
133.06519	0.5
133.10100	0.5
135.04417	1.5
135.08049	1.0
135.09767	0.4
137.02304	0.9
137.05978	1.8
137.65292	0.4
143.08574	0.7
145.10059	0.5
149.02330	0.9
153.05403	0.8
155.08571	0.4
159.08060	0.5
159.11696	0.9
161.02338	1.8
163.03908	0.5
165.31870	0.4
169.06502	0.9
171.11635	0.8
185.13289	0.6
187.07500	0.6
189.05446	0.9
189.12679	1.2
193.10188	0.9
197.06030	0.9
199.07487	0.6
201.16364	0.5
203.07138	0.6
211.07466	0.6
213.05476	1.3
215.06886	0.7
225.05502	0.6
225.08994	0.5
227.07021	1.0
229.04903	0.7
231.06549	1.3
243.06528	1.1
245.04413	0.9
267.10101	2.1
285.11182	8.7
317.08200	0.6
331.09665	5.8
331.13208	0.5
333.07666	0.6
335.09247	0.8
341.08136	0.5
343.09631	0.7
347.09106	2.4
349.10666	0.7
357.11496	0.6
359.08658	0.9
361.10602	1.4
363.08508	0.9
365.10220	3.2
371.08957	0.6
377.09940	0.8
383.12692	1.3
386.11691	0.7
401.13831	6.0
402.13623	0.6
404.12543	1.7
419.14841	100.0
419.33203	1.4
420.15137	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	419.1488
Annotation	Ulexone D
Peak:m/z	Relative Intensity
50.57327	0.4
55.05515	0.4
57.07067	0.5
57.10061	0.4
67.05495	1.3
68.55954	0.4
69.03423	1.4
69.07078	0.7
69.95635	0.9
69.96059	1.7
70.06593	0.7
71.08636	0.5
79.05478	0.7
81.07035	1.9
91.05481	0.7
93.07046	0.9
95.05004	0.5
95.08604	1.1
98.88054	0.4
105.07040	1.0
107.04964	1.4
107.08618	0.7
109.06534	0.5
109.10178	1.0
117.07032	0.6
119.04938	0.8
119.08604	0.8
121.02863	2.8
121.10133	0.7
123.11700	0.5
129.06992	0.6
132.10184	0.6
133.02890	0.4
133.10127	1.0
135.04417	1.1
135.11707	0.6
143.08612	0.4
149.02374	0.5
157.06450	0.7
157.10086	0.5
159.04445	1.2
159.11652	0.6
185.05986	0.8
185.13225	0.4
189.05449	1.1
195.02919	0.7
213.05452	4.8
218.07259	0.4
229.10074	0.6
231.06480	0.6
232.08771	0.6
260.08182	0.6
267.06601	0.7
275.10687	0.6
279.06641	0.9
279.09976	0.4
283.06091	0.8
291.06607	0.5
292.07330	0.7
293.08044	0.9
294.05240	1.1
295.06009	9.3
296.06012	0.5
303.10037	2.6
305.08255	0.9
306.75616	0.4
307.06009	4.1
307.09525	1.1
308.06580	0.7
309.04105	0.5
309.07584	0.7
310.73257	0.4
318.08826	0.7
321.03754	0.7
321.07599	13.7
321.11151	1.2
323.09018	0.5
331.09665	10.7
332.10205	0.8
333.07541	1.0
333.11142	0.5
334.08328	1.1
335.09091	8.1
335.12936	0.6
336.09921	2.5
337.10641	3.4
343.09698	0.9
345.07660	0.6
347.09085	1.7
349.10696	25.6
350.11334	1.4
356.35254	1.2
357.35709	0.6
358.08231	0.5
359.09058	0.9
359.19012	0.7
361.10715	0.8
363.08432	2.4
363.12411	0.5
365.10144	2.7
371.09134	0.8
373.14484	2.1
376.12845	0.5
377.09836	2.1
383.12799	1.4
391.15448	10.2
392.16150	0.4
401.13843	15.0
402.13968	0.7
404.12479	0.9
418.38928	4.0
419.14880	100.0
419.33032	2.0
419.39218	2.0
420.15298	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	419.1485
Annotation	Kraussianone 1
Peak:m/z	Relative Intensity
50.66916	0.4
67.05483	1.4
69.07052	1.0
69.44193	3.4
70.06571	0.3
79.05489	1.0
81.07063	2.1
83.04958	0.8
91.05446	0.8
92.61180	0.4
93.07036	1.5
95.04949	0.6
95.08591	1.7
105.07020	1.5
107.04969	0.4
107.08581	1.1
109.06487	0.8
109.10135	0.5
119.08556	1.2
121.06490	0.6
121.10132	0.7
123.04413	0.4
123.11665	0.7
129.06950	0.4
131.08546	0.5
133.06459	0.5
133.10117	0.9
135.04338	0.5
135.07990	0.4
135.11714	0.6
143.08569	0.5
145.06412	0.5
145.10126	1.0
147.04315	0.5
147.08093	0.4
147.11696	0.7
157.10135	0.4
159.07973	0.6
159.11679	0.4
161.13205	0.4
163.11259	0.4
171.11642	0.4
183.08005	0.4
187.14789	0.4
189.12708	0.6
197.05934	0.5
211.07492	0.7
213.05437	0.4
215.03415	1.1
223.07672	0.4
225.09145	1.3
227.07040	0.8
231.06566	0.5
237.05389	0.4
243.06520	0.9
247.07510	0.4
251.07123	1.1
253.08633	1.3
255.10176	2.6
262.09756	0.4
263.06592	0.5
267.10187	0.7
269.08002	0.8
273.11203	1.2
277.08652	0.6
279.06445	0.6
281.08139	1.0
285.11172	2.9
287.10767	0.5
290.09506	0.5
291.06287	0.6
292.07309	1.0
305.08148	1.2
305.11435	0.5
318.08868	0.4
319.05499	0.4
319.09576	0.5
319.13120	0.8
320.06888	0.7
321.07578	0.6
333.07541	1.4
333.10922	0.8
345.24155	0.7
347.08762	0.6
347.12512	0.9
348.06268	1.5
352.50116	0.4
361.10883	0.8
363.08560	1.4
365.10074	0.5
371.08994	0.5
375.12354	0.5
376.13123	2.5
377.10016	0.5
383.12247	0.6
389.10110	0.4
401.13712	1.8
401.34125	1.0
404.12509	36.5
405.12839	1.8
418.38867	0.7
419.14841	100.0
420.15118	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	419.1486
Annotation	Kraussianone 1
Peak:m/z	Relative Intensity
55.05492	1.0
57.03429	0.8
57.07066	1.3
67.05497	2.9
69.07066	2.8
70.60623	2.5
71.04990	0.8
71.08656	1.1
72.91863	0.8
79.05492	5.1
81.07052	10.3
83.08614	1.4
91.05482	3.3
93.03362	0.7
93.07037	3.2
95.04959	2.3
95.08605	2.4
97.06527	0.7
105.07027	4.0
107.04936	4.0
107.08601	1.8
109.06503	10.4
109.10169	1.7
115.05389	0.9
117.06999	1.5
119.04960	1.7
119.08588	2.9
121.02895	1.0
121.06531	1.3
121.10165	1.0
123.04434	1.8
123.11703	1.6
129.07016	1.3
131.04929	0.9
131.08534	2.0
133.06454	1.8
133.10091	1.0
135.04427	3.5
135.08025	2.4
135.11601	1.1
137.05984	2.7
143.08568	2.1
145.06473	1.5
145.10144	2.0
147.04405	1.1
147.08049	2.8
147.11671	1.2
149.02351	1.2
149.05966	1.5
151.03874	1.0
153.05466	4.4
155.08562	0.8
156.09326	2.5
157.10133	0.8
159.04437	1.9
159.08133	1.6
159.11670	1.3
161.02359	4.5
161.05971	1.9
161.13239	0.9
169.06479	1.6
169.10077	0.8
171.11674	2.4
173.05911	1.0
173.09724	0.8
174.10349	1.2
175.07549	1.4
177.05441	1.0
183.11726	1.4
185.13139	1.0
187.07565	1.7
189.01888	1.5
189.05438	1.8
189.12753	4.4
189.16356	1.1
195.06569	1.8
197.06076	1.4
199.07616	0.9
199.11121	1.1
200.04668	1.2
201.05396	1.2
207.02745	1.0
211.07677	1.2
211.11172	1.8
211.14662	1.0
213.05493	1.3
213.13104	0.7
215.03464	1.0
215.07047	2.0
217.12202	2.7
225.05447	2.4
225.09099	1.4
227.03371	1.2
227.06998	2.0
229.04968	1.0
229.12239	1.1
231.06531	2.8
239.10773	1.4
242.09326	0.9
243.06523	7.8
243.10278	1.4
249.07413	1.0
255.06525	0.9
257.11710	1.8
267.10092	3.4
270.08438	0.8
273.07544	2.0
285.11200	75.4
286.11539	1.9
289.08426	1.2
303.12228	12.4
307.28201	3.0
309.03903	2.7
317.08258	1.4
321.07562	0.9
335.09344	1.6
343.09528	0.9
345.07520	7.2
347.09122	1.2
356.35175	0.8
357.35651	0.9
363.08618	16.7
365.10440	1.6
377.10205	1.1
383.12912	1.1
391.15540	4.2
401.13803	4.0
402.15060	0.8
404.12311	2.2
418.38745	3.7
419.14859	100.0
419.33228	3.9
419.39182	1.7
420.15103	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	419.1484
Annotation	Kraussianone 1
Peak:m/z	Relative Intensity
57.03423	0.3
57.39038	0.2
67.05483	0.5
67.41026	0.2
69.03436	0.2
69.07047	0.6
69.39706	2.7
79.05485	0.3
81.07040	0.7
87.68166	0.2
91.05470	0.6
93.07052	0.4
95.04967	0.5
95.08560	0.6
98.20771	0.4
105.07019	0.6
107.04944	0.4
107.08577	0.2
109.06538	0.5
109.10131	0.4
117.07020	0.4
119.08591	0.5
121.02863	0.4
121.10210	0.3
123.04395	0.4
129.05469	0.3
129.07037	0.3
131.04970	0.2
131.08508	0.4
133.02870	0.4
135.04362	0.4
137.02396	0.3
137.05957	0.6
143.04919	0.3
143.08629	0.4
145.06467	0.3
147.04401	0.4
149.02252	0.3
150.03123	0.5
151.03958	1.8
156.09460	0.2
157.06506	0.3
157.10023	0.3
159.04387	0.7
161.02312	0.4
161.05890	0.2
163.03990	0.3
165.05479	0.8
169.10187	0.4
171.08011	0.6
179.08681	0.3
181.06360	0.3
183.08099	0.4
187.07547	0.6
189.09120	0.3
195.02991	0.4
197.05986	0.5
197.09650	0.3
202.06271	0.3
203.07024	0.3
211.07536	1.0
213.05504	1.4
213.09012	0.3
215.03438	0.4
217.04964	0.3
221.09662	0.3
225.09084	0.7
226.09903	0.5
227.07001	0.5
227.10635	0.8
229.04951	2.3
230.05725	0.7
231.06464	0.7
237.05449	0.7
239.07077	0.4
239.10706	0.4
243.06569	0.8
245.09895	0.4
249.09152	0.4
253.08644	1.3
255.06506	1.3
257.07901	0.3
261.09061	0.4
273.07626	1.0
277.08493	0.6
283.05930	0.3
285.11261	0.4
287.10703	0.3
291.10233	0.3
295.06168	0.4
298.09836	0.2
301.08844	0.3
301.12103	0.3
305.08179	0.5
305.11594	0.4
307.09821	0.3
315.10065	0.6
317.08270	0.4
319.09729	0.8
320.06689	0.5
321.07660	0.6
324.06903	0.3
329.08237	0.3
329.11771	0.5
330.12686	0.2
331.09637	1.1
332.06747	0.3
333.07480	0.5
333.11169	1.2
334.08228	0.3
335.09021	0.6
337.07236	0.4
343.09634	1.0
344.10239	0.4
345.14697	0.3
346.08411	0.4
347.09076	1.3
347.12762	0.8
348.06195	0.6
348.09970	0.5
349.10641	3.2
350.07816	1.0
356.06848	0.4
357.11133	0.6
358.08112	0.4
358.11945	0.3
359.08951	0.3
361.10712	3.2
362.07620	0.3
363.08633	1.6
364.09406	0.7
365.10120	1.5
371.09003	1.8
372.09918	0.6
373.14511	0.6
375.08167	0.5
375.12411	1.0
376.13104	1.0
377.10159	0.9
378.10782	0.6
379.11603	0.9
383.12613	0.8
385.10696	0.9
386.11523	2.1
387.12177	0.6
389.10153	3.7
391.15503	1.2
401.13797	6.3
402.14093	0.7
403.11942	0.7
404.12534	9.9
405.12784	0.6
419.14862	100.0
420.15170	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	419.1484
Annotation	Ulexone D
Peak:m/z	Relative Intensity
55.05505	0.8
59.17889	0.6
60.35243	0.5
67.05486	1.2
69.07068	0.6
69.73669	4.3
70.06582	0.9
73.09457	0.5
81.07063	1.4
83.04948	0.8
91.05477	1.0
93.07028	1.6
95.04958	0.8
95.08607	1.7
105.07047	0.8
107.08561	1.8
109.10139	1.0
110.20256	0.5
119.08596	1.2
121.02864	1.2
121.06521	0.5
121.10162	1.4
129.06993	1.0
133.02768	0.5
133.10115	0.9
135.11699	1.2
142.07834	0.5
143.08594	0.7
145.10132	0.8
147.11707	0.7
150.05325	0.5
157.10281	0.9
159.04454	1.2
185.05949	1.0
189.05496	1.2
195.02911	0.8
213.05389	4.0
230.87329	0.6
232.08858	1.7
247.11189	0.7
255.06523	0.8
260.08289	0.7
275.10651	1.2
278.91760	0.7
279.06433	0.7
282.31146	0.6
293.08240	1.1
295.06018	9.1
303.10229	4.2
304.07230	0.7
307.05994	2.5
307.09619	2.0
309.07587	0.7
317.08115	0.8
321.07568	15.1
321.11127	1.2
322.07825	1.0
331.09653	18.3
333.07446	0.8
334.08066	0.7
335.09167	1.0
336.09857	1.0
337.10791	1.1
343.09451	0.7
346.08304	1.9
347.09061	1.7
349.10684	28.0
356.35147	0.8
357.35724	0.8
361.10745	3.4
363.12375	1.1
364.09387	2.7
379.11707	5.3
391.15356	7.7
401.13895	1.1
404.12524	4.5
418.38834	2.5
419.14859	100.0
419.39270	2.1
420.15237	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	419.1482
Annotation	Ulexone D
Peak:m/z	Relative Intensity
53.51754	0.6
55.05498	1.4
56.44204	0.6
67.05490	2.5
69.03420	1.8
69.07064	2.8
71.04971	0.5
71.63972	1.2
79.05481	2.2
81.07047	4.2
83.04980	1.6
85.02907	0.8
91.05456	2.5
93.07028	3.0
93.32607	0.6
95.04924	1.0
95.08591	4.2
97.02928	0.8
97.06502	0.7
103.05458	1.5
105.03371	0.6
105.07019	3.2
107.04940	3.2
107.08574	2.3
109.10125	2.5
111.04420	0.6
115.05415	0.9
117.07007	2.6
119.04930	0.8
119.08582	2.1
121.02863	5.5
121.10130	1.5
123.04385	1.1
123.11662	1.6
125.05990	1.2
129.06978	1.6
131.04890	1.6
131.08548	2.1
133.02832	1.1
133.06526	0.9
133.10107	1.1
135.04367	3.5
135.11700	1.1
137.13226	0.6
141.05299	0.6
143.08519	0.8
145.06425	1.1
145.10103	2.1
147.11632	0.9
149.05963	1.1
155.08533	1.0
157.06531	1.3
157.10121	1.6
159.04417	7.9
159.08017	1.5
159.11711	0.9
161.02382	1.0
161.06003	0.9
163.03932	0.7
167.07047	3.0
167.08313	0.6
169.10100	1.0
171.08017	1.0
171.11667	1.1
173.13242	1.0
177.05365	0.6
183.02827	0.7
183.11537	0.8
185.05989	1.8
185.13338	0.8
187.07512	2.5
189.05473	2.4
189.09177	0.7
195.02892	1.2
203.03381	0.7
203.06992	1.9
211.07333	0.8
213.05441	22.3
215.03378	0.8
227.07016	0.9
229.04961	0.7
231.06516	2.1
232.08858	0.7
233.09636	0.9
237.09030	0.8
239.10757	0.8
240.04150	0.8
241.08531	0.9
245.04344	0.8
251.00323	1.1
251.07008	0.6
260.08414	0.6
261.08994	1.0
265.08493	1.6
275.10477	1.0
289.08618	1.1
292.07233	1.1
295.06009	7.4
296.06210	0.8
303.10239	3.3
305.08026	1.7
307.05957	1.7
307.09314	1.1
315.08615	0.7
317.07913	0.7
320.06693	0.9
321.07584	6.2
329.08099	1.0
331.09598	20.4
332.09918	1.2
333.07587	5.3
334.08218	4.0
335.09070	1.4
337.10910	0.9
341.08084	0.8
343.09622	2.5
345.06888	0.7
347.09009	2.8
348.06100	0.7
349.10651	67.6
350.11026	2.6
354.12402	0.8
355.13187	1.2
357.11304	1.1
358.08276	3.6
359.09091	2.0
359.12909	0.9
361.10690	0.9
363.08444	2.5
365.10480	3.0
367.09732	1.1
368.10352	0.9
371.09128	5.3
373.14392	4.5
383.12808	6.1
385.10577	0.9
386.11462	2.3
391.15359	16.6
401.13788	63.5
401.26895	1.6
402.14197	2.1
403.11581	1.0
404.12326	6.4
419.14838	100.0
419.32690	3.6
420.09344	1.2
420.15134	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	419.1333
Annotation	Naringenin 4'-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01873	4.2
55.05493	2.4
57.03431	13.0
57.07069	2.0
67.05486	5.5
68.99792	3.4
69.03427	51.6
69.03805	2.8
69.07060	3.4
69.37320	14.2
71.04983	34.0
73.02895	4.1
74.09678	1.3
75.04098	1.9
75.04477	26.0
79.05481	7.9
80.82434	1.4
81.03389	5.7
81.07050	8.8
83.04980	2.5
84.08116	2.4
85.02898	48.1
85.06516	2.9
91.05457	8.1
93.07010	4.7
95.04951	6.2
95.08623	7.4
97.02858	4.4
97.06516	3.6
97.93163	1.4
99.04440	4.3
99.08102	1.8
105.07047	7.7
107.04951	16.5
107.08587	3.5
109.02871	8.1
109.06483	2.6
109.10130	5.1
111.04436	6.1
115.05463	2.1
119.04948	13.0
119.08565	3.7
121.02850	4.8
121.06456	4.1
121.10130	4.2
123.04384	8.0
125.02362	3.2
125.05971	3.9
127.03911	18.1
129.05486	12.5
131.08600	2.5
133.06488	3.4
133.10112	2.5
135.04395	25.9
135.11650	1.4
135.47038	1.4
137.05994	3.1
143.08514	2.6
145.02858	2.7
145.06444	2.4
145.10083	3.4
147.04399	54.7
147.06349	2.6
147.11687	3.6
149.02338	3.8
149.05943	5.0
151.03900	2.6
153.01814	66.0
153.05440	3.5
157.10165	1.6
159.08076	1.8
159.11691	2.6
161.05989	3.9
163.03877	8.4
163.14813	1.7
165.01822	23.2
166.40414	1.5
167.07021	21.8
167.08366	2.0
171.02858	6.6
171.04243	2.2
175.03853	3.2
175.07462	1.8
177.01834	9.3
177.05476	9.8
179.03397	6.0
181.04942	3.6
181.08589	2.5
183.02901	19.9
183.11731	1.7
187.07622	1.7
189.05412	3.1
191.03401	26.3
191.07057	2.2
193.05006	2.7
193.08543	2.8
195.02876	92.9
196.03149	1.7
201.16495	1.7
203.03352	15.9
205.01373	1.5
207.02925	4.5
207.06502	2.0
209.08049	3.5
213.03836	2.5
217.04930	10.9
219.02879	48.2
221.04457	7.0
222.74750	1.5
237.03865	2.5
245.04456	43.5
257.08063	2.1
262.14447	5.4
263.05475	66.3
269.07950	2.1
273.07547	100.0
274.07950	2.5
281.06516	6.9
285.07587	8.3
297.07477	7.1
313.07224	1.7
315.08624	21.0
323.09158	2.8
324.09775	1.6
330.10971	7.5
339.08603	38.0
339.12634	2.3
365.10138	19.5
383.06555	3.0
383.11160	37.5
383.15598	2.8
384.12115	1.7
401.12030	9.3
404.59875	1.5
419.13229	19.0
419.23361	2.0
419.32913	5.5
434.41266	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	419.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01871	3.0
55.05515	10.4
57.03425	8.3
57.07064	5.6
61.81349	2.2
63.85227	1.9
67.05490	6.2
68.99787	3.4
69.03430	45.2
69.07063	16.5
69.70718	7.2
69.71156	8.0
71.04983	11.0
71.08621	2.2
79.05478	7.6
81.03422	2.4
81.07060	11.5
83.04998	10.3
83.08611	9.8
85.02909	27.8
85.58577	1.9
91.05470	5.6
92.47552	2.1
93.07032	7.9
95.04953	5.8
95.08613	13.6
97.10147	5.6
105.07027	8.1
107.04935	7.8
107.08599	3.8
109.02901	3.8
109.06480	2.4
109.10146	7.4
111.04439	6.3
111.08082	2.8
117.07043	1.9
119.04911	5.9
119.08592	7.3
121.02912	3.8
121.06499	4.9
121.10120	3.8
123.04385	2.8
123.08069	3.0
123.11691	5.8
125.02335	4.1
125.05994	6.8
129.05449	2.1
133.10124	4.1
135.04416	29.9
135.08073	4.5
135.11702	3.9
137.05969	10.9
145.10126	3.9
147.04410	23.0
149.02312	4.2
149.05937	2.2
149.13248	2.9
153.01874	16.1
153.09018	2.7
159.11646	4.2
161.09610	4.0
161.13286	2.6
163.03864	5.5
165.01840	17.1
167.07005	2.2
171.02835	6.1
171.04335	2.7
173.09520	1.9
173.13251	3.1
175.07668	1.9
175.14749	2.0
177.01840	10.5
177.05437	3.9
179.03342	3.8
179.10519	2.9
183.02893	24.3
187.29871	2.1
189.05557	2.2
189.12656	2.7
191.03365	17.6
193.05002	3.1
195.02887	100.0
201.12665	2.2
203.03398	20.4
207.02968	4.3
213.03871	3.2
217.04970	9.8
219.02893	27.5
221.04404	7.6
235.06036	3.3
237.03915	2.6
245.02145	3.7
245.04483	42.2
257.18924	2.2
263.05511	74.0
273.07532	10.9
281.06580	7.2
284.29404	2.7
285.07550	9.2
285.10825	1.9
297.07541	9.2
315.08496	15.6
323.09030	3.2
339.08612	23.1
365.10168	20.0
383.11139	36.5
401.12323	10.5
401.34348	24.8
419.14395	45.3
419.35626	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	419.1332
Annotation	Pleuropyrone A
Peak:m/z	Relative Intensity
55.01866	1.3
57.03436	8.2
68.99792	3.9
69.03425	50.7
69.36897	10.8
71.04990	17.3
79.05479	1.6
80.96604	0.9
81.03413	2.4
85.02898	32.6
91.05477	2.3
95.04975	3.5
97.02932	1.7
99.04433	2.1
103.05594	1.1
107.04929	8.5
109.02864	3.1
111.04441	5.3
119.04952	4.8
121.02838	3.4
121.06501	3.2
123.04446	3.4
125.02356	4.1
125.06000	3.9
127.03876	1.6
129.05478	4.2
131.05000	1.1
135.04405	27.2
137.02359	1.3
140.56993	1.1
141.01840	1.3
147.04396	25.4
149.02400	1.7
149.05995	2.5
153.01810	20.7
153.02971	1.7
153.05399	1.6
161.10321	1.1
163.03906	6.7
164.91292	1.1
165.01831	26.9
165.03224	1.5
166.02081	1.3
167.07060	4.2
171.02876	4.1
171.04300	1.2
173.05890	1.1
175.03908	4.1
177.01820	10.6
177.05443	5.0
179.03418	3.9
183.02872	17.3
187.92142	1.1
189.05467	2.4
191.03378	17.1
193.05009	3.0
195.02881	100.0
196.03258	2.1
203.03394	19.3
205.01157	1.4
207.02940	3.2
210.08679	1.1
213.03949	2.7
217.04961	11.9
218.05231	1.3
219.02875	37.3
220.03116	1.3
221.04434	9.3
222.04742	1.3
235.05923	2.4
237.03966	3.5
245.04440	60.8
255.06407	1.2
263.05502	72.0
264.05823	2.8
270.87259	0.9
273.07504	20.1
274.07864	2.1
281.06519	7.0
285.07434	9.4
285.10248	1.2
297.07538	7.4
315.08597	18.7
315.33151	1.1
316.08661	1.1
323.09009	4.8
339.08640	24.8
340.08926	1.6
365.10168	23.9
366.10428	1.4
383.11209	39.7
384.11597	2.2
401.12186	7.8
407.43097	1.0
419.13385	17.2
420.13760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
51.33309	0.3
53.03923	0.7
55.01864	3.3
55.05498	0.4
57.03412	0.6
57.07062	1.5
59.04976	0.7
59.54921	0.3
63.44375	0.3
65.03893	0.4
67.05474	1.0
68.99777	1.8
69.03418	2.8
69.07040	0.8
69.42675	3.0
70.06577	0.3
79.05475	0.9
81.03411	2.8
81.07035	0.9
83.08605	0.4
85.02897	4.1
85.06515	0.9
87.00806	1.6
89.03929	0.3
91.05457	0.5
92.99759	0.6
93.03384	0.5
93.07014	0.4
95.04942	0.6
95.08047	0.3
95.08596	5.0
97.02880	2.6
97.06503	0.3
99.04433	0.8
99.08051	1.3
101.13540	0.3
103.05443	0.3
105.01860	1.5
105.07027	0.4
107.04911	1.3
107.08549	0.6
109.02885	3.0
109.06457	0.8
109.10124	0.7
111.04394	0.6
111.08041	0.6
113.09624	4.4
115.03953	0.3
116.07156	0.4
117.01801	0.4
119.04916	0.6
121.02844	2.6
123.00832	0.3
123.11564	0.3
127.03896	3.8
127.11187	0.4
131.04910	0.7
133.02827	0.7
135.04391	4.6
135.11649	0.8
137.02322	11.1
137.03362	0.5
137.13203	0.6
141.01782	1.7
145.02849	0.5
145.04918	1.2
147.04385	2.1
149.02298	1.3
153.01801	0.7
153.12717	7.1
155.14278	1.9
159.02893	1.5
161.02316	3.9
163.03893	3.5
165.01813	11.7
165.05496	0.4
167.03348	2.2
167.07057	0.5
169.02826	0.6
171.13756	1.3
175.03893	2.3
177.01782	0.7
179.03383	4.4
181.04910	1.2
181.06352	0.4
183.02867	6.1
185.02330	0.4
187.03838	1.1
189.01784	0.7
191.03392	2.1
193.04955	1.2
195.02806	2.8
197.04344	0.5
203.03355	4.5
207.02850	1.3
209.04440	0.3
217.04849	0.3
219.02943	0.6
221.04401	2.3
229.04843	0.6
231.02849	1.4
231.05016	0.8
235.07626	0.5
245.04396	2.0
247.02147	0.6
249.03967	1.4
255.06529	0.6
263.05472	0.9
265.03015	0.3
269.08105	0.4
271.05984	0.6
272.06787	0.6
279.06381	0.3
283.05978	5.5
285.07510	0.5
286.04608	2.2
287.05508	5.1
289.03384	1.0
295.05954	3.3
297.07532	10.2
299.05463	85.1
300.06128	7.8
301.06921	0.6
309.07538	4.9
311.05475	13.2
313.03601	0.7
313.06992	12.1
315.08530	0.6
321.07336	2.1
323.05551	4.4
324.06223	0.9
325.03793	1.3
325.07010	32.6
326.07367	1.0
327.04880	0.6
327.08548	3.8
329.06500	43.6
330.06818	1.4
330.10382	0.4
336.06290	0.6
337.07007	42.0
338.07397	1.2
339.08557	0.7
341.06497	8.5
347.05460	0.5
353.06516	67.7
354.06891	2.2
355.08145	3.6
359.07449	0.5
365.06519	32.8
366.06873	1.3
383.07556	100.0
384.07892	4.0
401.08597	16.8
402.08807	0.8
419.09644	21.0
419.18866	0.8
420.09995	0.7
443.25955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
53.24533	4.1
54.99022	3.6
55.01851	11.9
55.05507	26.8
57.03434	31.1
57.07072	5.5
61.84168	3.9
65.03915	5.8
67.05500	83.5
69.03411	18.0
69.07066	84.6
70.07366	25.0
71.04983	39.8
72.08157	6.5
72.33556	4.3
78.04692	3.8
79.05495	72.5
81.03418	24.8
81.07056	92.4
83.04974	17.2
83.08585	20.6
85.02896	7.3
85.06548	7.7
91.05464	56.3
93.07040	77.8
95.04964	32.1
95.08588	43.9
97.02885	10.5
97.06523	100.0
97.10154	9.4
99.08056	7.2
103.03929	5.8
105.07020	42.1
107.04960	23.6
107.08600	43.3
108.70969	4.2
109.02811	5.3
109.06528	23.1
109.10159	19.7
111.04478	5.2
111.08051	8.9
113.05975	6.2
115.07558	45.7
117.06973	22.6
119.04877	5.1
119.08566	33.7
121.06494	20.7
121.10133	27.9
123.04394	11.8
123.08065	8.6
123.11699	6.2
125.05996	8.1
125.09618	6.9
127.03919	9.2
129.06989	10.1
131.08546	27.4
133.06483	11.6
133.10141	23.1
135.04449	5.9
135.08052	15.0
135.11697	14.5
135.94177	5.0
137.05931	5.7
137.09625	4.6
143.08557	10.2
145.06488	5.8
145.10085	18.9
147.04376	10.4
147.08104	4.6
147.11679	13.4
149.05988	4.7
149.09566	8.1
149.13235	24.0
151.04002	5.8
151.11176	4.4
157.10114	12.4
159.08031	6.1
159.11658	31.5
161.05968	12.8
161.09625	9.5
167.07043	76.1
168.07411	23.7
169.10086	6.0
171.11693	8.9
173.05872	4.6
173.09583	4.8
173.13226	7.9
174.06358	5.6
175.11168	8.6
177.05478	6.9
177.12781	19.9
181.04953	17.9
182.05368	5.0
183.02727	4.5
193.08594	6.9
195.02826	10.3
195.13768	5.8
197.13498	4.0
201.12840	5.2
209.08069	7.5
227.12759	9.3
233.15216	7.8
245.04398	6.8
245.18777	5.4
255.17430	5.6
256.10562	5.4
263.05408	8.8
269.17435	49.9
273.18549	31.5
291.19528	11.3
297.16882	27.3
301.81335	4.2
315.08511	7.7
316.33380	4.4
330.10504	5.6
333.07401	4.5
342.83646	4.3
347.22205	5.3
365.10349	4.9
365.23047	13.3
388.14658	9.0
401.14655	5.5
404.12378	6.7
418.16104	22.4
418.30179	21.8
419.14987	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	418.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01868	13.0
55.05508	31.5
56.96563	2.9
57.03436	27.9
57.07082	5.2
59.12360	2.7
65.03942	5.6
66.80740	2.9
67.05498	75.3
67.55795	2.5
69.03412	16.3
69.07063	92.8
70.06586	3.2
70.07454	2.8
71.04991	45.3
71.62866	5.5
72.08143	6.4
73.02911	12.7
75.04507	3.8
77.54799	2.8
78.04725	3.5
79.05488	77.6
81.03419	20.9
81.07053	76.8
82.07442	3.1
83.04969	18.2
83.08632	20.6
85.02892	10.0
85.06522	9.0
91.05471	54.5
93.07040	72.1
94.07369	3.3
95.04964	32.3
95.08601	46.9
97.02895	10.1
97.06521	85.6
97.10175	15.0
99.04438	3.0
99.08087	7.9
100.11243	3.4
103.03949	3.0
103.05470	5.5
105.07024	45.6
106.04134	2.8
106.07375	3.6
107.04958	20.7
107.08582	38.6
109.06512	29.9
109.10152	14.7
111.04429	6.8
111.08083	10.6
113.06004	5.0
115.05482	4.5
115.07556	100.0
117.07033	31.1
119.04934	5.0
119.08541	26.0
120.08117	3.4
121.06474	15.1
121.10130	28.9
122.10414	4.1
123.04437	15.1
123.08054	14.3
123.11683	6.7
125.05993	4.6
125.09634	12.5
127.03941	4.8
127.07520	5.8
129.07004	9.5
131.04956	5.9
131.08560	29.0
133.06474	10.4
133.10106	22.5
135.04396	5.5
135.08098	16.9
135.11691	16.1
137.05850	4.1
137.09610	5.0
139.03845	3.1
139.11171	3.4
141.06937	3.4
143.08563	7.5
145.06491	9.7
145.10115	17.3
147.04405	9.0
147.08038	10.0
147.11714	10.3
149.09613	7.2
149.13254	22.1
150.13618	3.8
151.07541	4.7
151.11150	6.0
153.09076	3.5
155.08495	3.1
157.10172	9.0
159.08040	5.4
159.11676	20.6
161.05983	8.4
161.09627	8.1
161.13234	8.8
163.11147	6.6
165.09148	3.4
167.07033	72.1
167.08400	6.7
168.07393	22.4
169.10135	4.0
171.11644	6.5
173.05916	5.2
173.13293	4.1
174.06453	2.9
175.11162	7.2
177.05487	5.1
177.12766	11.3
181.04964	13.5
182.05321	9.2
185.13260	6.2
187.11180	4.3
187.14813	3.7
189.11203	8.3
189.16460	2.9
192.07384	3.8
193.08624	6.0
193.12186	3.6
195.02879	10.7
195.13777	6.7
203.14323	4.6
205.12239	3.5
209.08046	8.8
217.15952	11.7
221.15256	6.8
227.10881	3.6
227.12776	19.4
233.15433	9.3
245.04366	7.2
245.13841	5.4
245.19020	7.1
253.14420	4.5
263.05420	6.1
269.17471	25.8
273.18436	31.6
283.05908	3.0
291.19522	12.8
297.16949	23.8
315.08661	8.4
330.11090	7.2
347.22198	6.2
364.12476	3.1
365.10358	4.5
365.23224	23.5
382.13452	3.0
383.11331	5.0
383.24506	4.1
388.14685	5.2
400.14441	4.4
401.15558	5.4
404.12433	3.7
418.16174	18.9
418.30270	61.0
419.14902	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	418.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01863	13.0
55.05502	43.4
57.03432	32.5
57.36395	3.7
59.04993	3.8
66.47847	3.7
67.05497	74.2
69.03419	14.7
69.07059	100.0
71.04989	47.3
72.08157	6.5
73.02901	10.7
73.50832	4.2
74.38676	4.0
79.05057	5.7
79.05491	91.7
81.03417	23.1
81.07051	84.6
83.04980	24.4
83.08607	22.2
85.02898	11.5
85.06533	10.3
87.33628	3.5
89.03018	4.0
91.05476	61.3
93.07034	78.9
95.04956	35.8
95.08596	48.8
97.02867	8.4
97.06520	99.2
97.10164	19.6
99.08100	9.3
103.05463	7.2
105.07030	46.9
107.04971	24.6
107.05581	5.1
107.08582	47.3
109.05836	5.1
109.06499	25.8
109.10116	20.9
111.04416	5.5
111.08061	17.1
113.06029	4.7
115.05421	8.6
115.07552	94.8
115.86403	3.9
117.07014	24.8
118.07362	3.9
119.04903	4.5
119.08563	24.8
121.06487	14.2
121.10098	28.6
123.04408	14.0
123.08053	16.9
123.11708	7.5
125.06008	6.5
125.09621	16.3
127.03896	6.0
127.07437	4.0
129.06999	10.3
131.04849	5.0
131.08537	25.6
133.06429	9.3
133.10135	25.7
135.08044	13.9
135.11693	18.6
137.05922	6.4
137.09596	8.4
142.07704	3.8
143.08548	16.4
145.06439	10.0
145.10100	14.4
147.04358	19.2
147.08040	9.5
147.11630	7.9
149.05981	9.0
149.09618	8.5
149.13268	19.7
151.11143	4.3
155.08582	4.5
157.10069	10.8
159.08052	6.2
159.11687	19.2
161.09601	10.6
163.07573	4.8
163.11185	4.0
167.07019	80.9
168.07318	26.0
169.10059	6.7
171.11797	6.1
173.05807	4.8
173.13185	4.0
174.06363	4.8
175.11153	6.0
177.05479	5.7
177.12772	8.2
181.05005	14.1
182.05264	12.5
182.15404	3.7
185.13301	5.7
189.11163	11.4
189.12706	5.7
193.08580	6.9
195.02859	14.7
195.13730	6.2
205.08575	5.4
209.08098	8.4
217.15924	6.9
221.15263	5.3
227.12762	13.9
233.15443	10.0
245.04558	5.6
245.19019	5.6
263.05392	6.8
269.17453	27.7
273.18475	34.5
291.19489	15.2
297.16904	24.8
307.18811	5.8
315.08646	8.9
330.11224	5.6
339.09045	5.2
365.10080	4.9
365.23203	22.2
383.24463	7.9
388.14502	8.4
401.16077	6.5
404.12408	6.6
418.16183	27.7
418.21100	7.0
418.30325	79.0
419.14890	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	418.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05490	2.0
57.03427	1.0
61.02914	1.0
69.03421	2.9
69.07028	0.5
70.06570	2.2
71.04967	0.5
71.62039	0.6
71.62403	0.8
72.08148	9.5
74.06027	0.6
79.05478	0.7
81.03410	1.5
81.07053	1.5
83.08611	0.7
84.04497	0.9
84.08128	1.0
85.02416	0.8
85.02896	9.0
87.04440	1.2
88.74871	0.5
89.06026	61.8
89.10783	1.5
91.05474	1.4
95.04971	0.7
95.08597	0.9
97.02866	2.6
98.06026	0.7
98.09638	0.6
99.04436	0.9
105.07038	1.1
106.06361	1.1
107.07073	2.5
107.08573	1.6
109.02886	0.8
109.06496	1.2
109.10129	0.8
110.02409	0.7
110.06006	0.8
114.10290	0.9
115.08753	0.5
119.01942	0.8
119.04959	0.7
119.08576	1.3
121.02825	0.6
121.06523	0.7
121.10149	1.0
123.11682	0.7
124.07579	1.1
127.03887	2.2
130.08586	1.2
131.08560	0.7
131.12939	0.8
133.08594	29.9
133.10071	2.7
135.04398	1.4
137.06042	0.5
139.03859	0.7
141.60007	1.2
143.01855	0.9
145.04927	0.8
147.04381	4.7
151.09653	2.5
151.11147	0.8
152.07051	2.1
161.02942	1.3
163.03886	3.8
169.12193	0.7
173.13274	1.1
177.11220	5.1
180.06445	0.9
191.14304	1.9
195.12247	1.8
208.09619	0.8
209.15366	0.7
211.12090	0.5
218.11757	1.1
220.09677	0.8
221.13826	0.6
223.07585	0.6
235.14424	1.3
235.64557	0.6
239.14876	100.0
240.15240	2.1
251.14001	1.4
256.11685	0.9
256.15485	4.2
256.65573	0.8
285.12595	0.5
291.14255	1.2
309.15341	1.3
324.10843	0.7
347.49435	0.6
393.17133	0.5
399.24594	0.6
418.16803	0.6
429.19531	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	418.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01871	1.1
55.05510	1.2
56.96568	1.5
57.03425	2.0
61.02916	1.2
61.48812	0.5
65.03928	2.3
67.05504	5.0
69.03072	0.8
69.03423	9.4
69.97958	2.6
70.06582	2.6
71.04978	1.1
72.08148	9.9
73.02907	1.5
79.05493	3.5
80.05008	1.2
81.03419	6.5
81.05774	0.7
81.07049	2.0
82.06561	0.7
84.04507	0.9
84.08134	3.5
85.02896	8.4
85.54920	0.6
86.09698	2.5
87.00813	1.5
87.04472	1.3
89.10789	1.5
91.05475	1.6
92.04990	2.1
93.05792	1.2
93.06965	0.8
94.06544	0.7
95.04966	0.6
96.08087	3.0
97.02882	5.8
98.06050	0.7
98.97565	1.7
99.04456	2.3
104.05436	0.7
105.01875	0.8
106.06549	26.9
107.04914	1.0
108.08110	100.0
109.02875	5.4
109.08434	1.7
110.06005	0.6
110.07142	0.8
119.04920	2.6
123.06783	6.2
124.03925	1.3
124.07587	27.9
126.36716	0.6
127.03909	5.8
129.10263	1.2
134.06009	15.1
136.07570	18.5
137.05922	0.7
138.05434	1.1
147.04402	23.3
148.04750	2.5
148.07516	1.1
150.05460	0.8
152.07054	84.1
153.07458	2.1
158.99728	0.8
163.03897	2.5
164.07057	1.4
170.08116	22.6
176.07021	1.0
177.00655	0.7
187.06085	1.1
194.08098	1.9
216.91299	0.6
218.11723	5.8
219.01727	0.7
219.12140	1.0
226.63107	1.0
235.14401	8.4
235.64522	2.7
236.14836	0.8
238.10826	0.9
242.15109	3.5
242.65340	1.8
249.15912	1.2
256.11801	0.8
277.05505	0.8
314.12350	2.6
332.13431	6.3
338.12375	1.5
356.13409	8.9
374.14438	18.7
382.11246	1.4
400.12375	14.0
401.12399	0.7
418.13358	65.3
418.25439	1.6
419.05902	0.7
419.13721	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3359
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
55.05501	5.7
57.07061	5.0
58.41680	3.0
58.65555	3.0
67.05492	8.9
69.07062	8.4
70.96172	9.7
79.05472	9.1
81.07061	16.4
83.04970	4.0
83.08603	4.0
91.05447	8.3
93.07047	4.1
95.04955	4.4
95.08597	14.2
98.10352	2.7
109.06524	16.3
109.10143	8.2
123.11665	3.6
125.05948	7.2
137.05956	59.1
151.07516	12.4
153.05492	5.5
155.07010	10.2
162.35234	2.9
165.09058	6.7
179.10721	4.4
180.21422	3.3
330.38980	3.2
346.17032	3.1
374.54263	3.3
399.32437	7.8
417.33606	100.0
418.34253	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	417.3361
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
51.35923	1.0
53.03933	1.4
55.05493	3.4
57.07055	3.4
65.03942	1.5
67.05498	5.9
69.07068	6.6
71.08608	1.6
71.60439	1.8
75.96481	0.9
77.93427	1.0
79.05489	6.1
81.07059	16.6
83.04971	4.1
83.08613	2.8
84.01698	0.9
85.10166	1.0
89.38854	1.1
91.05470	8.1
93.07030	2.3
95.04949	1.8
95.08604	9.7
97.10158	1.8
98.95401	0.8
99.93005	0.9
100.03831	0.9
105.07034	1.8
107.08617	1.5
109.06515	17.1
109.10178	6.5
119.08574	1.4
121.10141	1.4
123.11716	5.7
125.06004	5.2
135.08055	1.2
135.11650	0.9
137.05974	54.0
137.13208	1.5
138.06261	1.4
139.07538	0.9
151.07524	10.4
155.06982	5.2
165.09120	5.2
167.07072	2.3
178.08565	1.5
179.10637	3.4
189.12708	1.3
191.10629	1.4
193.12283	2.7
207.13838	3.4
209.95171	1.1
221.15373	1.2
277.21420	1.0
399.32559	3.5
417.33612	100.0
418.33987	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	417.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.9
55.05500	17.4
57.07069	13.5
62.90720	7.0
67.02156	8.3
67.05491	24.9
69.03427	9.4
69.07062	37.2
71.61955	10.0
79.05510	35.3
79.05885	8.5
81.07056	57.0
83.08602	17.4
85.06505	6.9
91.05479	42.5
93.07043	66.2
95.04963	11.2
95.08607	51.0
95.14172	6.7
97.06505	11.4
105.07008	75.1
106.46339	8.0
107.08569	65.1
109.06504	86.1
109.10154	39.2
111.08094	13.1
117.07018	18.3
119.08582	94.9
120.81503	7.1
121.06458	13.9
121.10144	72.9
123.08059	19.6
123.11689	25.4
129.06921	9.7
131.04819	6.7
131.08562	48.4
133.06361	9.1
133.10117	78.6
135.08032	28.3
135.11699	47.5
137.05984	13.3
140.29507	6.4
142.07751	27.3
143.08559	34.8
145.06522	10.0
145.10098	71.3
147.07971	13.2
147.11682	37.0
149.09599	14.5
155.01100	7.5
155.08525	20.4
156.09332	7.4
157.10088	58.8
159.08023	13.0
159.11667	43.9
161.09616	14.2
167.07030	25.2
167.08466	12.0
169.10106	30.3
171.08157	9.7
171.11693	28.5
173.09575	21.5
173.13235	28.2
175.11137	21.4
175.14806	23.2
179.08553	8.9
181.10101	14.6
182.10895	8.8
183.11638	37.7
185.09552	11.6
185.13254	19.3
187.14723	15.2
189.16197	8.8
191.10641	8.8
192.09250	7.8
193.10133	13.9
194.10846	15.9
195.11655	16.5
197.13292	22.5
199.11217	18.3
199.14752	7.3
201.12685	10.2
203.10670	12.8
206.10939	13.6
207.11679	20.5
208.12334	7.9
209.13232	26.4
211.11128	13.4
211.14859	19.4
213.12697	13.5
217.10168	8.5
220.12352	15.8
221.13239	20.7
223.14658	10.6
225.16238	9.9
231.11688	17.0
233.13297	13.2
234.72043	7.3
235.14755	22.2
237.12761	10.3
237.16292	10.1
239.14183	8.6
239.18002	12.9
245.13248	14.8
247.14720	11.7
249.12894	8.4
249.16313	7.8
251.14157	8.2
253.15858	10.3
261.16260	8.6
295.05939	9.2
295.17245	9.1
299.18069	11.7
341.22455	8.9
357.25580	16.2
359.23749	15.9
375.26779	19.0
399.26865	32.2
399.32559	16.8
417.13104	11.4
417.27914	100.0
417.33594	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	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03933	0.7
55.01858	0.6
55.05501	0.4
57.03405	0.3
57.07059	0.3
65.03930	1.3
67.01858	0.3
67.05505	1.4
68.99784	0.3
69.03400	1.0
69.07044	0.7
71.03654	0.6
71.17305	0.2
72.08126	0.5
77.03954	0.3
78.04707	2.2
79.05495	2.1
80.46036	0.2
81.03397	0.8
81.07037	1.9
82.04189	0.6
83.04964	0.4
83.08590	0.4
85.02888	1.6
85.06541	1.5
86.09691	0.5
91.05446	1.7
93.07029	1.1
95.04973	1.8
95.08578	1.3
96.05748	0.4
96.51175	0.2
97.02869	0.9
97.06498	0.9
101.75672	0.3
103.05432	1.6
105.07021	1.2
106.02899	0.6
106.04161	1.6
107.04962	2.0
107.08562	1.1
108.02088	0.3
109.02864	0.7
109.06505	0.6
109.10150	0.9
110.03683	0.5
111.04417	0.4
111.08043	0.3
115.05440	3.3
117.07002	5.5
119.04929	0.3
119.08533	0.8
121.02843	0.5
121.06481	0.5
121.10115	0.9
122.03634	0.4
123.04414	6.9
123.08032	0.3
123.11674	0.4
124.05221	2.7
125.05941	0.7
125.09656	0.3
127.03912	2.5
127.05413	0.5
128.04233	0.5
129.07005	0.4
130.04135	0.3
131.04903	1.0
131.08563	0.5
132.05681	0.3
133.06425	0.4
133.10121	0.9
135.04440	0.4
135.11694	0.4
137.05885	0.6
138.03102	0.5
139.07542	0.3
142.02612	0.5
143.04955	0.5
145.06476	9.5
145.07616	0.6
145.10080	0.5
147.04384	1.1
147.08028	0.4
147.11656	0.5
149.05922	0.3
149.09532	0.3
149.13133	0.3
151.03915	1.4
151.07541	0.3
152.04689	1.8
153.01855	1.7
153.05428	0.7
155.06046	1.8
159.04347	0.4
159.11659	0.6
161.05960	0.7
163.07512	0.5
165.01772	0.5
165.05472	0.3
167.07024	100.0
168.07370	2.2
171.02795	0.3
171.06552	1.3
173.05968	14.6
174.06404	0.5
175.07584	0.5
177.01888	0.3
181.04938	19.5
182.05312	0.3
183.02846	0.3
183.06374	0.3
189.09177	0.4
191.03375	0.4
191.07027	1.0
191.10663	0.3
193.08643	0.4
195.02815	0.4
195.06425	0.4
201.05452	0.7
205.08582	3.4
207.06470	0.3
217.08549	0.9
219.02911	0.4
233.08070	7.0
235.09605	3.5
251.06918	0.4
253.92375	0.3
255.06564	2.3
255.09094	0.3
255.10242	0.3
256.06830	0.7
264.07767	0.3
267.06494	3.3
279.06784	0.3
283.06091	0.5
285.07462	0.3
291.06476	0.2
293.08090	0.9
295.06018	0.9
297.07495	2.2
306.08688	0.3
307.09634	0.6
309.07660	0.6
313.07001	1.1
313.10226	0.2
321.07632	1.5
323.09320	0.4
333.07339	0.4
335.09235	0.3
337.06915	0.5
339.08725	0.3
345.07413	0.3
351.08728	0.9
355.11633	0.3
363.08487	1.2
369.13861	0.3
372.84274	0.3
381.09625	1.6
381.26474	0.7
385.12869	0.3
387.14349	14.9
388.14685	1.0
399.10553	1.0
417.15433	39.0
418.15897	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1175
Annotation	Daidzin
Peak:m/z	Relative Intensity
53.03938	0.4
55.01836	0.3
55.05484	0.5
56.83863	0.2
57.03395	0.8
61.02888	1.1
67.05472	0.3
68.99770	0.4
69.03425	3.8
69.99963	0.2
70.06570	0.4
70.20571	1.3
71.04961	0.4
72.08122	0.7
73.02883	0.7
79.05482	0.4
81.03417	1.3
84.08096	0.5
85.02898	9.2
86.09708	0.6
87.04437	0.8
91.05444	1.1
93.07008	0.9
95.04958	0.4
97.02892	2.3
99.04400	0.7
103.03905	0.3
105.06985	0.6
107.04928	0.7
107.08593	0.5
109.02837	1.1
115.05415	0.4
119.04923	0.7
121.02850	1.4
121.10140	2.1
122.03153	0.4
123.04419	0.5
127.03898	2.3
129.06976	0.4
131.08534	0.2
137.01340	0.3
137.02322	3.9
141.01772	0.4
145.02864	0.5
145.04871	0.4
145.06490	0.4
147.04376	0.6
149.02281	0.7
149.09608	1.9
151.03868	0.3
153.01778	0.5
153.06935	0.7
157.06445	0.8
163.04007	0.4
164.04199	0.3
165.01753	0.5
165.06990	0.3
167.02223	0.4
167.07007	2.7
167.10698	0.3
169.04965	1.8
171.08038	0.5
181.04913	1.3
181.06476	1.6
183.02881	0.7
184.05278	0.3
191.03378	0.5
199.05759	0.4
199.07530	6.5
217.08543	0.8
219.02879	0.7
223.07545	0.4
227.06999	3.1
231.02852	0.3
233.08102	0.6
237.05496	1.9
239.07030	1.2
239.14255	0.3
240.07761	0.8
241.14513	0.3
254.05563	0.5
255.06497	100.0
256.06879	2.8
263.06970	0.5
265.08643	0.5
267.06491	8.8
268.07266	2.5
269.07788	0.5
273.06735	0.3
279.06598	1.7
281.08127	1.7
283.05988	2.9
283.08676	0.6
284.06305	2.5
285.06567	5.2
292.07336	0.4
293.07980	0.8
295.05939	0.7
295.09302	0.3
297.07574	10.5
298.07816	0.4
305.08240	0.5
307.09549	2.9
309.07544	1.4
310.07825	0.7
311.08148	2.2
313.07092	0.3
321.07535	2.8
323.08728	0.4
324.09662	0.5
325.09833	1.4
327.08508	0.4
333.07532	0.6
334.45084	0.3
335.09015	0.9
337.07126	1.0
338.07355	0.6
339.07675	4.1
351.08374	2.4
363.08447	2.0
367.08234	0.4
369.08719	2.1
381.09348	4.2
387.14157	0.4
399.10452	6.3
417.11581	15.3
418.12149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1176
Annotation	Daidzin
Peak:m/z	Relative Intensity
50.62183	0.2
62.19130	0.2
66.81216	0.2
68.99765	0.4
69.03424	0.3
70.06578	0.4
70.80289	0.9
72.08138	0.5
91.05476	0.7
92.77484	0.3
119.04944	0.6
121.02878	0.4
128.06213	0.3
129.07011	0.5
137.02341	3.8
143.08580	0.3
145.02846	0.9
147.04465	0.4
149.02347	0.5
153.06985	0.8
157.06506	0.8
171.08060	0.6
181.06445	1.5
199.07547	7.7
227.06984	3.1
237.05449	1.2
255.06512	100.0
256.06842	2.1
305.93472	0.3
398.41312	0.3
417.10080	1.0
417.27881	0.3
427.12064	0.3
431.41672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94278	0.6
61.32985	0.5
69.03400	0.8
70.60815	0.6
70.75597	1.8
79.21873	0.6
81.03371	1.1
87.23242	0.7
93.75414	0.7
99.67458	0.6
101.00908	0.6
104.10106	0.6
109.02830	2.8
119.01884	1.8
120.95404	0.9
124.33998	0.6
137.02907	0.9
138.96349	1.1
153.00513	0.5
156.96245	1.1
156.97456	16.4
157.03458	0.7
174.98512	27.9
175.98524	0.9
180.97426	2.1
182.99023	9.8
185.02789	0.8
193.58553	0.6
194.99055	8.5
196.96902	1.0
198.98514	24.2
200.98346	0.9
201.00084	11.7
202.97980	0.9
213.00064	35.7
214.00206	1.7
216.99556	7.7
221.05028	0.9
222.00243	0.6
222.98477	4.8
225.00075	1.3
228.99489	0.6
231.01137	7.2
232.01196	0.8
236.99960	1.1
240.99550	5.9
246.98582	1.0
259.00751	1.1
264.99585	1.9
283.00662	3.4
301.01660	100.0
302.01883	5.3
319.02707	10.5
337.03772	1.4
342.04282	1.0
356.88956	1.6
357.04272	91.3
358.04483	6.0
368.02609	0.9
374.89468	1.4
375.05286	9.3
393.06686	1.6
398.07114	2.0
417.06390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
57.07063	0.9
67.05500	4.0
69.03431	0.6
69.07054	0.7
69.98454	2.8
79.05481	2.5
81.07057	1.0
83.08598	0.6
93.07036	1.2
95.08609	8.8
98.20763	0.9
105.07011	1.6
107.04965	6.4
108.05713	0.7
109.06531	0.8
111.04436	0.8
117.02464	0.5
121.06487	1.1
122.07290	8.6
123.08075	14.6
124.08862	0.7
135.08060	3.4
137.05954	2.7
138.06728	1.1
145.10138	1.3
149.05971	0.6
149.09520	0.5
150.06763	15.2
151.07535	100.0
152.08305	6.4
158.77574	0.6
163.07567	1.4
163.11195	1.8
164.08344	2.3
173.09592	1.4
176.08266	0.9
177.09067	2.0
191.10674	13.3
192.33171	0.6
205.12238	0.6
262.94562	0.6
308.12054	0.6
332.11807	0.8
350.73190	0.7
351.37268	0.6
359.12982	0.9
371.13052	1.6
372.14017	2.8
373.14581	3.8
374.15497	1.6
386.15033	2.9
387.16190	5.2
388.16739	1.8
389.17728	1.5
399.16110	0.8
400.16882	2.0
401.13660	1.9
401.18176	4.8
402.13998	1.1
402.18454	1.8
415.14975	1.5
415.19699	1.3
416.16013	14.1
416.20087	10.6
416.36487	67.4
417.16934	20.7
417.21002	12.8
417.36743	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	416.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.3
55.05472	1.9
56.05035	2.1
56.05235	0.5
57.03401	0.8
61.02890	1.2
63.04712	0.4
67.05460	2.0
68.04969	1.4
69.03432	3.5
69.07037	0.9
70.06583	4.9
71.04961	1.0
71.62577	0.5
71.63049	1.0
72.08150	4.6
73.02859	1.2
73.08444	0.5
79.05491	2.6
80.05013	4.9
81.03374	1.6
81.07050	2.8
82.06577	2.3
83.04948	0.7
84.04446	1.5
84.08134	2.9
85.02901	7.8
85.06498	0.5
86.09699	3.1
87.04417	0.6
91.05461	3.7
93.07047	5.5
94.06529	1.2
95.04932	0.9
95.08551	1.6
96.08089	1.3
97.02886	3.7
97.06470	1.3
98.06021	1.0
98.97569	0.6
99.04451	1.0
100.07544	0.5
105.07018	2.6
106.06506	1.1
107.04913	1.0
107.08593	2.5
108.08100	0.9
109.02824	1.8
109.06506	0.7
110.06005	0.6
110.07123	0.5
110.09615	1.2
111.04433	5.6
114.09102	0.7
116.07057	0.7
117.06980	1.4
119.04903	1.0
119.08586	2.4
120.08057	2.0
121.02774	0.7
121.06531	0.5
121.10049	1.3
122.09656	3.7
123.04385	1.0
124.07484	0.5
127.03913	8.1
128.04224	1.6
129.06955	0.9
129.10147	0.5
131.08517	1.7
134.09618	3.0
135.07993	1.5
136.07545	0.8
136.11214	2.9
137.09544	0.9
138.05397	0.6
138.09065	0.9
145.04919	1.0
145.06432	0.6
146.09637	1.2
147.04427	2.5
147.05354	0.5
147.11603	0.4
148.11148	2.0
149.09622	2.5
150.09122	1.1
151.07516	2.0
152.10672	1.3
158.09480	0.6
164.10712	18.4
165.09109	0.6
165.10930	0.4
166.12244	2.3
167.06995	2.1
167.10684	0.5
173.05951	0.6
175.03886	0.7
175.07393	0.5
176.10674	3.7
177.00644	0.7
181.04834	0.9
181.62779	0.4
182.11755	41.0
183.12088	0.9
185.16478	0.7
190.15903	0.7
194.11760	20.6
201.05461	0.6
206.15376	1.4
207.06490	0.7
208.16920	1.2
212.12805	19.3
218.15387	4.7
224.16469	0.6
231.17621	0.4
236.16428	19.2
237.16774	0.6
254.17499	100.0
255.06429	0.7
255.17801	2.6
278.65875	0.5
398.21576	1.4
416.22812	17.6
417.16199	0.8
417.22601	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	416.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	5.9
55.05498	7.3
56.96552	6.7
57.03429	6.9
57.50797	4.2
58.06603	5.3
69.03419	29.6
69.07057	7.9
70.06586	34.9
71.04975	11.8
71.61868	6.9
72.08151	100.0
73.08472	16.3
78.81786	4.3
79.05490	9.4
81.03417	17.3
81.07085	6.1
84.04487	12.1
84.08141	25.3
85.02898	46.7
86.09695	23.8
89.10778	6.9
91.05464	17.9
93.07033	11.9
94.06551	6.4
95.04954	10.9
97.02885	33.1
98.06057	8.0
98.09733	5.2
98.97598	7.9
101.06021	3.9
103.05499	9.8
105.07042	27.3
107.04935	17.4
109.02858	17.1
110.02399	34.9
111.02737	8.9
112.07634	5.2
114.09126	4.7
115.08659	10.7
116.98592	7.9
119.04929	6.4
121.02831	24.3
121.06480	12.0
122.03170	8.4
123.04433	11.3
124.03944	7.9
125.69445	4.2
127.03902	36.2
129.06996	4.9
131.04878	5.2
133.06520	21.4
134.99625	5.7
137.05948	5.5
138.05539	6.5
144.05627	4.2
146.99667	4.7
147.04367	40.2
149.05965	24.7
150.09145	5.1
152.07059	20.7
153.07381	10.6
161.05942	43.0
163.03873	12.8
165.09091	4.6
167.07034	81.5
169.04912	6.1
169.09708	14.6
170.10097	4.9
177.05472	12.3
179.07056	5.0
181.08574	20.8
193.08591	34.2
195.10223	9.1
211.09657	60.6
220.09552	4.5
235.14436	6.9
236.12759	11.9
237.11115	21.5
254.13876	47.7
309.10812	11.6
327.11978	5.3
360.09500	5.8
381.14758	5.2
398.17767	24.3
416.13232	18.9
416.17703	35.0
426.12579	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
55.05267	1.4
55.05505	20.0
57.03427	3.1
58.06586	4.0
59.04981	2.6
67.05479	1.9
69.03421	9.0
69.07030	1.3
69.97896	4.4
69.98306	2.2
70.06588	6.2
71.04977	2.2
72.08149	26.8
73.02894	3.5
73.08477	2.6
81.03410	6.7
83.04967	7.8
84.04478	3.3
84.08138	70.7
85.02435	1.7
85.02899	19.6
85.06527	3.3
86.06078	1.2
86.09689	6.4
87.04455	3.3
89.10782	2.3
91.05466	1.7
95.04937	1.7
97.02891	11.2
98.06053	9.3
98.21423	1.9
98.97569	1.4
99.04427	3.9
99.06367	2.8
100.11227	3.5
100.20908	1.2
101.06007	33.9
107.04935	3.1
109.02856	6.3
110.02372	3.4
111.04420	4.1
112.07587	1.2
115.08682	11.7
116.08996	2.0
119.04911	3.2
123.04421	1.5
124.03884	1.4
127.03912	40.9
128.10712	34.6
133.06274	1.3
135.04308	1.6
136.18221	1.1
137.05942	2.7
138.05528	1.6
145.04922	2.5
145.06480	1.3
146.06824	2.1
146.11749	24.5
147.04387	10.5
152.07076	3.2
153.07347	1.4
163.03925	2.5
167.06963	1.9
168.10181	2.2
169.09790	1.6
177.01039	1.3
182.07953	1.3
195.18497	1.4
213.00381	1.2
218.11812	3.3
222.70184	1.6
230.13913	3.0
235.14371	2.9
235.64560	1.8
236.12827	1.9
254.09219	8.7
254.13866	7.4
272.14886	14.6
277.14374	1.3
290.15964	100.0
291.16339	2.5
319.37946	1.2
398.18207	6.3
399.15884	1.4
416.19116	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01864	1.0
55.05504	5.6
56.01396	0.5
57.03431	0.7
60.98467	0.5
69.03425	2.6
70.01739	0.5
70.02953	0.6
70.06587	7.6
71.01363	0.7
71.04992	1.5
71.09766	1.7
72.08150	100.0
73.08483	1.3
79.05501	1.0
80.01378	1.0
81.03426	3.7
81.07053	0.8
82.02954	1.3
82.16973	0.6
83.04958	1.2
84.04507	1.0
84.08149	3.8
84.87399	0.6
85.02892	6.0
86.06071	1.2
86.09694	2.8
87.10068	0.6
89.10781	3.0
91.05459	2.1
91.76360	0.5
95.04967	1.5
95.08618	0.8
97.02884	13.4
97.06516	0.6
97.41595	0.5
98.02399	3.4
98.06054	8.3
99.00822	3.5
99.04443	2.9
99.06373	0.6
101.05993	0.8
103.03917	0.8
105.07022	1.8
107.04945	9.5
108.05301	0.8
109.02861	4.3
109.06504	1.0
109.92877	0.6
110.02392	56.9
110.06022	0.6
114.09140	0.9
115.05492	1.3
115.08699	6.0
115.09467	0.9
116.03458	0.7
116.07057	0.7
116.09029	0.6
116.47200	0.5
117.03336	0.6
119.04942	3.7
119.08520	0.6
121.02863	9.3
123.04448	3.0
124.03903	0.7
124.07598	1.2
127.03909	12.6
128.03416	4.1
128.04236	0.7
130.06509	0.5
131.04897	0.7
133.06479	1.5
135.04398	1.9
137.05992	0.8
138.05507	1.5
139.03891	0.7
145.05002	0.9
145.06480	3.0
147.04396	8.5
148.04683	1.2
150.09074	0.8
151.03902	0.9
151.08698	0.8
152.07050	46.2
153.07381	1.1
157.06552	0.6
159.04501	0.6
161.05959	2.5
163.03914	3.8
163.07510	0.7
164.04208	1.3
164.06969	0.6
165.07086	0.8
167.07050	1.5
169.09717	45.7
170.08113	15.7
171.08214	0.6
173.06009	0.6
176.10756	0.9
177.05455	0.9
179.06873	0.7
183.08081	1.3
187.03911	0.6
187.10794	0.6
188.07039	0.9
189.05478	0.9
189.07195	0.6
191.47246	0.6
193.08566	0.9
199.07481	1.5
207.08034	1.4
211.07597	0.9
211.09581	0.9
217.13339	0.6
218.11723	1.6
219.08102	1.3
227.06932	1.1
228.07729	2.0
229.08595	1.1
235.07588	1.8
235.14465	3.0
237.02559	0.7
237.09039	1.3
239.07028	0.8
255.10158	0.6
263.07095	1.8
265.08893	1.0
267.06543	1.0
276.14468	0.6
279.78723	0.5
281.07980	1.7
291.16446	0.6
293.08292	0.7
309.07516	0.7
353.18320	0.6
354.16693	0.7
379.16241	0.8
380.14996	3.1
380.19601	0.6
397.17554	15.2
398.15909	5.9
409.36670	0.6
415.18475	51.6
416.13022	4.3
416.18790	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01872	2.5
55.05509	14.9
56.01382	1.5
56.05053	0.9
56.96568	1.0
60.05640	0.9
60.86969	0.8
61.02925	1.2
68.93600	0.8
69.03432	3.2
70.06585	10.1
71.62233	1.2
72.08150	45.6
79.05512	1.5
81.03383	0.9
83.04968	0.8
84.04507	1.5
84.08138	3.2
85.02924	5.9
86.06071	1.2
86.09701	3.5
87.04424	0.8
88.07590	0.9
89.06029	0.9
89.10788	3.4
89.28501	0.9
90.09184	3.5
91.05447	2.1
95.04951	1.5
97.02902	3.0
97.06525	1.0
98.06049	67.4
99.06391	1.0
103.05447	1.6
107.04947	17.2
109.02873	1.4
110.02390	2.4
112.08701	0.9
114.10326	1.0
115.08685	100.0
116.98633	1.0
117.07018	5.8
119.04935	7.1
121.02873	3.8
121.06489	1.1
122.06016	1.1
123.04427	1.1
127.03896	5.2
131.04938	4.1
133.06464	2.2
134.06033	1.1
135.04395	2.2
144.05695	1.5
145.02876	1.9
145.06479	20.8
146.03314	0.9
147.04393	26.0
148.04755	7.6
149.04968	1.6
150.05258	1.9
152.07083	2.5
155.06065	2.7
159.04433	3.9
160.07487	1.0
161.05995	1.3
162.21669	0.9
163.03903	7.8
164.04210	7.4
167.07115	1.5
169.09770	1.7
171.04419	2.2
176.10733	3.6
181.06549	0.9
187.03932	1.5
188.07053	2.2
189.05450	4.5
191.08627	1.3
193.13391	1.3
204.06601	1.5
209.09682	1.8
218.11746	2.4
219.08029	3.9
225.09161	1.3
234.07628	1.1
234.11223	1.4
235.07562	1.5
235.11687	1.2
235.14429	3.3
235.16801	1.1
235.64737	1.1
237.02820	1.1
237.09105	9.0
247.07620	6.4
253.12614	2.4
253.15419	0.9
258.11224	4.6
263.07080	2.5
265.08606	13.6
275.13907	6.1
279.03879	1.8
283.09488	4.3
295.11246	3.7
304.12021	1.3
353.18625	1.4
373.04922	1.0
379.16623	4.7
380.14948	3.4
397.17545	26.8
415.18384	3.8
415.23654	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	415.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01862	3.4
55.05503	5.3
56.96548	1.7
57.03424	2.5
57.07059	1.5
59.05027	1.6
60.78765	1.4
61.02938	1.6
64.92051	1.6
65.03932	2.3
67.05502	10.6
69.03420	11.7
69.07069	8.3
69.39971	17.0
71.04978	2.4
72.08148	2.5
73.02910	2.0
75.83585	1.8
78.04710	1.6
79.05481	15.7
81.03410	12.8
81.07045	17.2
83.04974	3.5
85.02908	15.3
85.06543	8.2
91.05445	10.0
93.07023	9.9
95.04942	6.8
95.08617	11.6
97.02886	15.6
97.06522	3.9
97.10155	2.2
99.04462	3.8
99.08040	1.7
105.01838	4.4
105.07043	9.6
107.04950	20.0
107.08591	10.0
109.02871	14.3
109.06493	5.5
109.10138	9.7
111.04421	3.4
111.08062	4.4
113.05964	1.8
115.05441	3.2
117.07005	5.3
119.04951	1.7
119.08567	7.1
121.02847	5.5
121.06454	3.9
121.10130	8.1
123.04408	17.6
123.08057	3.8
123.11713	5.9
124.05190	4.4
125.05988	4.3
125.09644	3.0
127.03893	25.3
128.06210	2.5
129.07024	4.4
131.08560	7.1
132.05713	1.7
133.06474	5.1
133.10138	7.0
135.04433	4.5
135.08043	2.5
135.11656	4.9
136.05214	5.0
137.05969	5.2
137.09605	3.2
139.07484	2.2
143.08560	3.4
144.05701	3.0
145.04938	4.2
145.06528	4.3
145.10106	4.6
147.04399	4.5
147.08037	1.9
147.11694	6.0
148.05182	3.8
149.05963	6.6
149.09563	2.2
149.13237	3.1
151.03903	3.8
151.07536	7.0
151.11153	2.4
152.04652	3.0
153.01752	2.0
153.05447	2.0
155.08643	1.8
156.05637	3.1
157.10118	2.1
159.08067	10.0
159.11690	2.5
161.06003	5.7
161.09613	2.7
161.13194	2.2
163.03905	5.5
163.07466	1.7
163.11194	2.3
165.05469	3.1
166.06265	18.8
167.07024	62.7
169.10045	2.2
171.11662	1.9
173.05991	6.9
175.07574	4.8
175.11143	2.4
175.14795	3.5
176.08246	2.1
177.05579	1.9
177.09200	2.2
179.03627	2.1
179.07141	2.9
181.05020	13.2
181.06377	2.1
181.08572	47.4
186.06792	2.4
187.07497	10.3
187.14842	3.1
188.08255	1.9
189.05498	3.2
189.09077	3.2
191.03400	2.1
191.07018	3.1
191.10690	2.2
193.08659	2.5
195.06531	8.2
195.10056	2.1
197.06078	1.6
198.06779	2.0
201.05492	4.7
201.08998	2.8
202.09886	9.4
203.06975	2.4
204.07765	2.9
205.08595	10.2
207.06537	4.7
207.10017	2.6
209.07971	3.7
209.13210	2.1
212.08382	1.9
213.08948	1.8
215.06952	3.1
217.08609	12.4
218.09320	3.9
219.08186	2.5
219.10027	11.4
221.08076	4.8
227.07025	2.2
229.08643	2.0
231.10149	14.3
233.11765	6.6
235.09621	2.2
235.17029	2.9
239.07040	4.0
240.07845	4.1
241.08583	9.6
247.07487	2.8
247.09686	3.5
248.08359	5.9
249.09271	2.0
250.06351	2.1
253.04895	3.1
253.08598	4.3
255.06425	5.2
257.07983	2.5
261.08893	2.7
261.11377	10.5
262.09592	2.3
263.07144	3.5
263.10611	5.1
264.07822	3.2
266.05496	1.9
268.07275	5.0
269.08020	5.7
270.08804	3.1
271.05939	7.8
271.08832	1.5
273.09204	1.8
275.07040	2.8
275.10580	2.6
276.07703	2.3
277.08667	3.8
279.10245	4.7
280.07300	1.9
281.08081	4.4
283.06027	6.5
283.09637	13.4
285.07648	5.9
285.11215	2.9
286.08347	10.5
289.08585	4.4
290.09445	3.8
291.06784	2.8
291.10135	12.3
292.07333	3.7
292.10635	2.3
293.08014	5.1
293.11548	3.4
295.06036	3.6
295.09546	3.2
296.07281	1.6
296.10095	7.9
297.07632	3.1
297.11230	2.2
299.05777	2.6
299.09149	6.1
300.09860	2.4
301.10873	5.8
303.10043	2.2
304.10837	2.5
305.08331	2.0
305.11716	5.0
306.09091	3.1
306.12497	7.2
307.09586	8.8
307.12927	1.9
308.10153	2.2
309.07446	5.7
309.10809	2.0
311.09247	3.8
311.12604	1.9
313.10776	5.3
314.07913	3.3
314.11499	5.4
315.04953	5.7
315.08624	4.9
319.09662	6.1
320.10535	2.9
321.07593	2.6
321.11264	6.5
322.11996	6.0
323.09225	3.1
323.12732	4.1
324.09967	5.0
325.07031	4.2
327.05109	2.4
327.08630	3.2
327.12201	1.9
329.10162	62.8
330.10715	3.3
333.11145	3.9
334.11929	5.8
335.09061	3.7
335.12674	4.5
336.09869	4.0
337.07175	2.9
337.10629	8.3
337.14331	6.3
338.11426	2.7
339.08743	1.8
339.12088	7.6
341.10208	3.1
342.11066	3.9
344.12506	100.0
345.13239	12.0
350.11411	2.6
351.12354	17.2
353.13812	6.5
354.14618	7.2
355.11649	4.2
357.13330	18.9
365.13812	18.5
366.10492	2.7
366.14661	26.0
367.07791	3.1
367.11862	7.2
370.14227	5.1
379.07788	3.4
379.11990	2.7
382.14102	6.3
383.14883	5.3
385.16653	9.6
397.12906	6.4
397.16656	62.5
415.13251	8.4
415.18015	27.5
415.32648	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	415.1383
Annotation	Brandisianin E
Peak:m/z	Relative Intensity
52.17725	0.4
53.03886	1.0
55.01814	0.4
55.05420	1.6
57.03369	0.6
57.07010	0.6
59.61993	0.5
62.25288	0.4
65.03860	0.6
65.59757	0.4
67.05406	3.5
68.99725	0.8
69.03336	2.9
69.06965	2.2
70.31918	1.0
70.32302	1.6
71.04934	0.5
79.05394	3.3
81.03314	2.2
81.06954	5.5
83.04905	0.8
83.08533	1.1
85.02805	1.3
85.06492	1.0
91.05465	2.8
93.06933	3.6
95.04854	2.7
95.08498	4.3
97.02792	1.4
97.06428	1.4
97.10066	0.5
98.06702	0.5
99.04360	1.1
103.05392	0.5
105.03356	0.5
105.07021	3.2
107.04951	2.9
107.08582	2.8
109.02781	1.1
109.06398	2.0
109.10151	2.3
117.06953	0.9
119.04863	0.7
119.08577	2.3
121.02778	1.1
121.06472	0.9
121.10053	1.9
123.04413	5.1
123.08057	0.9
123.11587	1.4
125.05874	0.9
125.09547	0.5
127.03790	1.9
128.06108	1.6
129.06873	1.3
131.04871	1.0
131.08557	3.8
133.02763	0.9
133.06430	1.0
133.10010	1.5
135.04269	2.6
135.05202	0.8
135.07948	0.8
135.11586	1.4
137.02376	2.7
137.03204	0.8
137.05997	2.3
137.09561	0.7
137.13206	0.5
139.07465	0.6
141.06847	0.6
142.07664	0.5
143.08437	1.4
145.06328	1.3
145.10005	1.6
147.04346	2.8
147.07964	1.0
147.11642	1.2
149.02222	1.1
149.05818	0.5
149.09607	5.6
149.13123	0.6
151.03886	2.7
151.07416	1.5
152.06010	0.6
153.01822	9.1
153.05432	0.6
153.06729	0.5
155.08479	1.0
156.05579	0.4
157.06369	1.2
157.09937	0.7
159.04399	0.9
159.07942	1.3
159.11594	0.9
161.02219	1.9
161.05833	0.9
161.09554	0.7
163.03816	0.9
167.03282	0.9
167.06932	2.5
167.08327	0.9
169.10127	0.5
171.07933	1.3
173.05907	0.7
173.13268	0.5
174.06726	0.6
175.03825	0.8
175.07449	1.0
175.11028	0.6
175.14774	0.6
177.05391	0.8
177.09012	1.4
177.10716	0.5
179.03204	1.0
181.04803	1.3
181.06300	0.8
183.07925	1.2
185.05794	0.9
187.07512	1.0
189.08940	1.0
191.03362	5.4
191.06931	0.5
191.10596	0.8
193.04822	1.1
195.06334	1.1
195.07971	1.0
199.07439	0.7
201.05322	0.6
201.09003	1.6
202.06033	0.6
202.09686	0.6
203.03391	5.2
203.07068	2.3
205.04857	0.8
209.04456	3.9
211.07489	0.6
213.09021	1.4
217.04854	1.5
217.08430	1.2
219.08040	0.5
221.04335	0.6
223.07468	0.7
225.05389	0.6
227.07014	6.2
229.04861	1.6
229.08577	0.9
230.05571	0.6
239.06841	0.6
245.08073	16.8
251.06905	0.8
253.04942	0.7
255.06477	0.7
257.08310	0.8
259.10864	0.7
261.07535	1.6
263.09070	2.0
265.08740	0.8
269.07996	0.6
271.05917	1.3
279.06329	0.7
282.05020	0.6
283.05948	1.8
283.09253	0.6
287.05444	1.0
289.08386	0.5
290.09171	0.5
291.06616	0.6
293.08246	0.7
295.05878	1.1
296.06573	0.7
297.07565	2.3
299.05432	0.9
303.06561	0.5
305.11606	1.1
307.05981	4.3
309.07483	2.6
309.10892	1.0
311.05402	2.6
311.09143	1.4
312.06271	0.7
313.06924	1.3
317.08087	0.7
318.08752	0.7
319.06009	0.8
319.09641	1.2
321.07465	1.3
323.05307	1.1
323.08972	1.0
325.07037	21.2
326.07489	1.4
327.08661	2.8
333.11142	1.2
335.05481	0.9
335.09210	0.8
336.09750	0.8
337.07117	6.2
337.10797	1.0
338.07037	0.5
339.08569	2.2
340.08801	0.7
341.10126	5.1
343.07977	3.1
345.07516	1.5
346.08331	1.2
347.09106	1.7
349.06891	3.0
350.07703	1.6
351.08368	1.6
351.12299	1.8
357.15332	1.1
361.10690	11.9
363.08780	3.6
364.09399	2.8
365.10059	1.3
369.13257	0.6
379.11737	100.0
380.12155	3.0
383.11191	7.0
397.12796	93.5
398.12930	1.8
415.13858	32.6
415.32053	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	415.1382
Annotation	Brandisianin E
Peak:m/z	Relative Intensity
55.01824	1.4
55.05471	1.1
67.05495	3.3
68.99737	0.7
69.03431	2.7
69.07006	1.7
70.33728	0.9
70.34113	1.3
70.81684	0.4
71.04929	0.6
79.05460	3.0
81.03351	1.4
81.07042	4.8
83.04934	0.6
83.08578	1.0
85.02840	1.4
85.06498	1.1
91.05453	3.0
93.07012	3.0
95.04967	2.4
95.08617	2.3
96.98808	0.7
97.02799	1.6
97.06472	1.0
97.10124	0.5
99.04409	0.6
103.05416	0.6
105.03326	0.8
105.06957	1.9
105.07574	0.4
107.04960	2.9
107.08577	2.5
109.02804	1.5
109.06435	1.8
109.10075	1.9
111.04424	0.7
111.08058	0.6
115.05354	0.8
117.06984	0.9
119.04868	1.1
119.08497	2.0
121.02808	1.0
121.06448	1.4
121.10107	2.2
123.04424	6.3
123.11635	0.8
125.05958	0.8
125.09548	0.5
127.03846	2.1
128.06160	1.3
129.06950	1.2
131.04887	1.4
131.08583	2.4
133.02844	0.6
133.06427	0.5
133.10054	1.1
135.04401	2.2
135.07979	0.9
135.11609	1.3
137.02353	3.6
137.05919	1.5
137.13297	0.5
139.03830	0.5
141.05397	0.8
141.06956	0.7
142.07718	0.5
143.08473	1.7
145.06404	1.0
145.10049	1.3
147.04333	1.7
147.11586	0.8
149.02315	1.2
149.05887	1.4
149.09612	5.9
151.03911	2.4
151.07434	1.6
153.01811	9.1
153.05417	0.8
153.06880	0.8
155.08459	0.6
157.06360	0.7
157.10062	0.5
159.04366	0.9
159.07962	1.4
159.11624	0.8
161.02255	1.9
161.05881	0.8
163.03851	0.7
165.05379	0.5
167.03336	0.7
167.07033	2.8
167.08176	0.5
171.08022	1.7
173.05911	0.8
173.09590	0.7
173.13264	0.5
174.06677	0.6
175.03842	0.8
175.07484	0.8
175.11128	1.0
177.05391	1.1
177.09006	2.2
179.03369	1.0
181.04910	0.7
181.06403	0.7
185.05811	0.7
187.03766	0.7
187.07466	1.0
189.09102	0.9
191.03381	4.8
195.07953	0.7
197.06184	0.6
199.07501	1.5
201.05344	1.1
201.09114	2.2
202.06207	0.8
203.03345	5.4
203.06956	2.0
205.04904	0.9
207.08081	0.5
209.04414	4.3
211.07527	0.6
213.09047	0.7
215.06900	0.6
217.04878	0.6
217.08508	1.8
221.04225	0.7
227.07004	6.1
229.04846	1.5
235.07373	0.5
241.08479	1.0
243.06488	1.0
244.08554	0.4
245.08066	22.0
251.07039	0.5
257.07935	0.8
261.07474	1.1
263.09143	1.6
269.07974	0.7
271.05911	0.8
279.06393	0.6
281.07932	0.6
283.05981	1.6
283.09351	1.1
287.05508	0.9
290.09375	1.0
293.08002	1.0
295.05939	1.4
297.07498	1.6
298.04749	0.7
299.05347	1.4
302.19012	0.5
305.11734	0.7
307.05960	5.0
307.09225	0.8
309.07523	2.5
309.10815	0.8
311.05426	2.9
311.08838	0.9
312.05817	0.7
313.07083	1.2
319.06027	0.8
319.09610	0.6
321.07498	0.9
323.09048	1.0
323.12689	0.8
324.06143	0.7
325.07004	19.3
326.07413	2.5
327.08542	1.5
333.07608	0.7
333.11316	1.3
335.05389	1.1
335.08994	0.9
336.06265	0.6
337.07016	5.6
337.10788	1.4
339.08566	2.5
340.08951	0.6
341.09961	4.6
343.08511	3.5
345.07523	1.6
346.08243	1.2
347.08997	0.9
349.07043	2.2
350.07834	1.3
351.08478	1.7
351.12280	2.0
357.15259	0.7
359.10623	0.8
361.10657	12.0
362.10934	1.0
363.08588	3.2
364.09262	3.1
365.10007	1.2
379.11716	100.0
380.12088	6.1
383.11270	6.4
397.12769	88.5
397.30936	0.6
398.13071	4.6
415.13800	33.3
415.32022	1.2
416.14172	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1016
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
50.17179	0.1
53.00306	0.1
53.03926	0.2
55.01641	0.1
55.01866	0.9
57.03429	0.6
60.09562	0.1
61.02899	0.3
65.03927	0.3
67.05484	0.2
68.99442	0.1
68.99767	0.8
69.03421	0.4
69.07050	0.1
70.06567	0.3
70.78833	0.2
71.04971	0.1
72.08129	0.2
73.02904	0.1
79.01832	0.4
79.05479	0.3
81.03405	0.8
81.07047	0.1
81.35812	0.1
84.08123	0.2
85.02396	0.1
85.02892	1.5
86.09670	0.1
89.03947	0.1
91.05470	1.1
92.99764	0.2
93.03387	0.2
93.07006	0.1
95.04965	0.5
97.02899	0.7
99.00816	0.1
99.04408	0.1
103.03944	0.2
103.05447	0.3
105.03381	0.2
105.07018	0.1
107.04939	0.5
109.02867	1.3
109.06487	0.1
111.04411	0.3
115.05427	0.3
117.03375	0.1
117.06973	0.1
118.04153	0.1
119.04928	3.6
121.02850	10.1
121.10077	0.1
122.03181	0.2
123.00061	0.1
123.00876	0.2
123.04421	0.3
127.03893	0.7
129.06984	0.1
131.04898	0.5
133.02798	0.1
134.73041	0.1
135.04402	0.5
137.02287	0.3
137.05934	0.1
141.01807	1.6
143.04889	0.1
145.02824	2.6
145.06511	0.1
146.03285	0.1
147.04391	0.8
149.02345	0.4
149.05943	0.1
151.03876	0.1
151.11082	0.1
153.01781	0.3
155.03331	0.1
155.04817	0.1
157.06494	0.2
159.04424	0.5
161.02287	0.2
161.05962	0.2
163.03888	3.8
164.04135	0.1
165.01810	8.8
165.05516	0.2
166.02191	0.2
167.03418	0.9
167.07008	0.2
169.02853	0.3
170.20593	0.1
171.02905	0.1
171.04376	0.3
173.02373	0.1
173.05972	0.2
175.03819	0.4
177.01817	0.6
177.05466	0.7
178.02573	0.1
179.03360	0.5
181.04945	1.5
181.06409	0.1
183.02867	8.3
184.03217	0.2
185.05913	0.3
187.03917	1.7
188.04411	0.1
189.01797	0.6
189.05475	0.2
190.02547	0.2
190.99664	0.1
191.03371	1.9
193.04974	0.3
194.02147	0.1
195.02876	1.4
195.06470	0.1
197.00864	0.2
197.04340	0.1
197.05980	0.3
199.03864	0.3
201.05490	0.2
203.03334	0.8
205.01311	0.1
205.04935	1.3
205.06641	0.1
207.02832	0.8
207.08131	0.1
208.03651	0.2
209.00806	0.3
209.04396	0.6
210.06703	0.1
211.03911	0.1
211.07468	0.2
213.05463	0.7
215.03343	1.0
217.04961	0.9
219.02856	0.3
221.04453	0.4
223.05872	0.1
225.05460	0.1
227.06950	0.1
229.04961	0.6
231.02855	0.3
231.06380	0.1
233.04446	1.0
235.16878	0.1
238.06250	0.1
239.07018	0.5
241.04912	0.7
242.05774	0.3
243.02893	0.8
249.03777	0.4
251.03180	0.1
253.04918	0.2
253.08568	0.4
253.10945	0.1
254.05666	0.2
255.06413	0.7
256.07187	0.4
259.05963	0.5
261.03888	1.6
263.06998	0.3
265.04947	0.1
265.08505	0.1
266.05606	0.3
267.06485	3.0
268.07101	0.3
269.04376	0.5
270.05157	1.4
271.05981	6.9
272.06314	0.2
273.03879	0.2
277.08624	0.3
279.06506	2.1
280.07153	0.4
281.08054	9.6
282.05383	0.2
282.08456	0.4
283.05969	100.0
284.06464	6.5
284.10956	0.1
285.07297	0.2
286.04590	0.1
289.08426	0.2
291.06561	0.4
292.07166	0.1
293.07935	1.0
294.05096	0.8
294.08328	0.1
295.06030	14.5
295.09576	2.4
296.06503	0.9
297.03912	0.8
297.07559	3.9
298.04483	0.1
298.07925	0.1
299.05423	0.2
304.07108	0.1
305.08023	2.7
306.08737	0.2
307.05969	3.0
308.06747	2.8
309.04083	1.7
309.07501	29.4
310.04700	0.1
310.07870	1.4
311.05481	1.2
311.09119	0.2
312.06241	0.2
313.07022	5.3
314.07373	0.3
315.05594	0.1
317.08118	0.1
319.06076	0.1
320.06528	0.4
321.07538	4.1
322.08099	0.3
323.05606	1.0
323.09064	16.4
324.05957	0.1
324.09482	0.9
325.07040	2.4
325.10941	0.1
326.07367	0.2
327.08569	0.3
331.06158	0.1
331.09622	0.1
333.07520	4.8
334.07904	0.3
335.05444	0.8
335.09195	0.3
336.06168	0.2
337.07004	44.9
338.07385	2.3
339.08652	0.2
341.07065	0.1
343.09634	0.2
344.06995	0.1
349.07022	12.7
350.07321	0.7
351.08563	3.5
355.08179	0.9
356.08102	0.1
359.09174	0.7
361.07019	9.8
362.07260	0.6
367.08072	20.9
368.08389	1.2
373.21140	0.1
379.08075	22.6
380.08481	1.2
387.08575	1.5
387.13223	0.1
388.08884	0.1
397.09125	21.9
398.09470	1.2
415.10257	33.5
416.10629	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68586	0.7
53.03941	1.8
55.01864	3.0
55.05293	0.7
55.05514	6.3
56.05035	3.4
57.03433	3.3
59.04966	0.9
61.02906	0.8
61.86995	0.7
65.03912	1.6
67.05476	2.5
68.05015	1.3
69.03424	3.9
69.07054	1.2
70.06597	7.0
70.18562	3.8
71.01332	0.8
71.04630	1.1
71.04992	11.0
72.05281	0.7
72.08151	17.7
72.50149	0.7
73.02937	1.4
73.06543	0.8
73.08492	1.2
75.04471	1.2
75.54813	0.8
79.05473	1.6
80.05010	1.6
81.03412	3.5
81.07046	3.6
82.06575	14.1
83.05016	1.5
84.07678	1.2
84.08141	14.8
84.96674	0.7
85.02422	1.3
85.02903	21.4
86.03205	0.7
86.09703	6.2
86.31667	0.7
87.04452	1.6
89.10791	1.3
91.05459	3.8
93.07027	3.1
95.04972	1.8
96.08093	2.1
97.02895	4.6
97.06529	10.1
98.06038	3.2
98.09696	1.4
98.97574	1.0
99.04436	2.7
105.07020	1.0
107.04925	2.6
107.08586	0.9
107.39742	0.6
109.02885	2.8
109.06552	0.9
110.02388	3.3
110.06025	2.2
110.07173	0.9
110.09681	12.6
111.04436	0.8
114.10303	0.8
115.08656	2.2
116.98612	0.8
117.03356	0.9
119.04934	3.7
119.08575	1.4
120.08100	2.2
121.02824	2.1
121.06469	0.9
122.09673	2.3
123.04385	0.9
123.08054	2.1
124.07586	2.6
125.05988	12.4
127.03915	32.4
128.04251	1.0
129.05453	2.3
129.10196	0.8
131.04976	0.7
131.12903	0.8
134.05962	0.8
134.09622	1.3
135.04369	1.4
136.07561	1.1
137.05908	1.0
140.07088	0.9
145.02835	1.7
145.06532	0.9
147.04413	12.4
147.08040	1.2
148.04733	1.7
148.07440	1.0
150.09151	1.2
151.07513	2.2
152.07079	2.3
152.10707	2.1
156.10106	0.8
163.03883	10.3
164.04189	0.8
164.07047	0.7
164.10727	4.8
166.08597	1.4
167.07036	1.6
168.06560	0.7
177.05519	1.8
180.10188	40.1
181.10533	1.5
183.11340	1.4
190.04965	2.0
191.10693	3.8
192.10205	5.8
192.13846	2.0
194.11807	2.1
204.13795	4.1
205.12234	0.9
206.15419	1.4
210.11273	2.2
217.13290	1.0
218.04543	3.4
218.11670	1.5
234.14876	60.8
235.14832	3.8
244.09732	1.8
251.13934	1.2
252.15939	100.0
253.16260	5.2
258.10980	0.8
262.03503	0.9
272.09100	1.2
277.16626	0.9
328.04581	4.1
382.09323	2.0
396.19940	1.1
414.16425	8.0
414.21219	5.3
414.27509	1.8
415.08368	1.0
427.12231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.05513	5.1
57.07076	10.5
67.05508	18.4
69.03433	1.6
69.07071	16.1
69.40729	9.9
69.41154	8.2
71.08616	2.8
79.05490	7.5
81.06578	3.5
81.07055	66.9
83.08621	6.2
88.02203	1.9
91.05496	3.2
92.60649	1.8
93.07032	10.8
95.08604	100.0
97.10183	5.0
105.07040	5.1
107.08577	13.8
109.10151	23.3
119.08589	6.9
121.10146	10.9
123.08109	2.2
123.11726	23.3
131.08553	2.7
133.10150	7.1
135.11710	9.1
137.13252	85.3
145.10130	3.6
147.11667	4.9
149.13266	9.1
150.52681	1.9
151.07558	5.4
151.14844	6.5
159.11678	4.3
161.13269	4.1
163.14883	4.0
165.80939	1.8
167.07062	5.4
171.11653	4.0
173.13324	4.4
175.14767	2.1
177.16313	2.2
179.17912	2.4
187.14836	3.8
189.16367	2.2
191.10655	2.2
191.17947	2.1
193.19496	3.7
211.99257	2.1
215.18044	2.8
217.12286	2.0
217.19476	5.9
219.13824	2.5
227.17966	5.5
229.19530	2.0
233.15369	3.2
243.21196	1.8
245.18979	11.7
257.19110	3.0
261.18613	4.3
263.20157	2.2
275.19983	4.3
334.38504	2.7
395.29318	4.4
413.29926	5.7
413.34482	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98690	0.7
53.03939	0.8
55.01864	1.7
55.05500	3.7
56.05023	2.4
56.96573	0.9
57.03430	1.2
61.02917	1.7
67.05485	1.0
68.05026	1.9
69.03424	7.8
69.07061	3.8
70.06587	9.5
70.14102	2.1
70.14509	1.9
72.08151	17.0
73.02911	1.3
74.06079	1.1
79.05482	3.2
80.05026	0.8
81.03413	3.5
81.07059	2.2
82.06575	4.3
84.08140	95.7
85.02903	12.4
85.08479	1.5
86.06059	8.9
86.09703	21.3
87.04462	1.0
89.10793	1.5
91.05467	5.7
92.32817	0.7
93.07055	1.2
94.06551	1.2
95.04945	0.8
95.07353	2.0
95.36667	0.9
96.04475	0.8
96.08138	3.3
97.02896	4.5
97.06519	0.7
98.06048	5.6
98.09696	1.7
99.04440	1.4
100.07594	1.2
103.12345	2.1
105.07020	2.3
107.04931	3.5
108.08137	1.7
109.02864	1.7
109.06519	1.0
110.02407	6.9
110.06036	1.5
110.09674	30.1
112.07633	1.2
115.05428	1.0
115.08690	3.6
119.04932	8.7
120.05215	0.9
120.08138	1.8
121.02820	0.8
122.09664	1.5
123.04416	1.5
124.07580	5.4
124.11230	3.2
125.11550	0.9
126.09185	0.8
127.03916	5.7
128.07082	1.1
128.10706	0.9
129.10263	3.1
133.06448	1.4
133.74239	0.8
134.09641	1.6
135.04431	0.9
136.06152	0.9
136.07503	2.0
137.06020	0.8
138.09146	0.8
142.71846	0.8
145.02840	1.3
145.04893	1.9
145.06494	1.5
146.09599	1.2
147.04407	31.4
148.04761	4.5
148.07581	2.0
148.11182	1.0
150.09125	4.3
151.14679	0.8
152.10689	4.3
158.08182	1.0
161.05991	2.7
162.09125	1.1
163.03929	3.2
164.10727	1.8
165.10190	1.1
166.08633	4.6
174.12764	4.0
176.10640	1.1
177.05501	2.3
178.08678	1.9
180.10199	3.0
183.11320	4.6
190.12355	0.9
192.13864	1.5
193.08574	1.7
202.12247	9.7
209.12827	7.3
218.11700	1.9
220.13399	3.0
233.16466	8.7
234.11276	1.9
235.07520	0.9
235.14410	2.4
237.02725	1.1
237.08875	1.0
247.07457	0.9
249.16035	2.6
251.17535	100.0
252.12418	2.6
252.18036	5.1
293.18570	1.2
307.11057	1.4
326.47684	0.8
340.15198	1.1
351.16953	1.5
377.20636	2.5
395.21182	1.1
413.23001	44.9
414.22699	3.7
430.05307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01856	2.1
55.05485	0.8
57.03404	1.0
61.02888	2.0
67.05460	2.1
68.05007	2.4
69.03428	5.3
69.83643	3.1
70.06589	6.1
71.04971	0.8
72.08129	0.6
73.02900	1.1
75.46150	0.5
78.07270	0.5
79.05493	3.5
80.04998	0.6
81.03406	3.2
81.07064	3.2
81.95654	0.5
82.06582	3.4
84.08135	22.9
85.02428	0.8
85.02897	11.3
86.09693	0.8
87.04451	1.3
87.87237	0.4
89.43900	0.5
91.05437	2.3
93.07009	1.8
94.06553	4.0
95.04913	0.7
95.07312	1.4
96.08119	4.7
97.02875	4.7
98.06028	1.5
98.09665	1.4
98.21438	0.7
99.04424	0.6
100.07613	3.3
105.07027	2.5
106.06537	0.9
107.07294	1.5
107.08549	0.7
108.08108	2.5
109.02853	1.3
110.09674	27.8
110.51999	0.5
111.10024	1.0
112.06822	0.5
112.07590	8.0
117.06972	0.7
118.06547	0.9
120.08057	2.0
121.08807	0.5
122.09659	21.0
124.07573	4.7
126.09095	1.4
127.03875	1.4
127.08588	0.6
129.06967	1.3
131.08519	0.6
132.08012	0.8
134.09650	4.3
136.07544	3.1
136.11211	4.2
138.09126	1.2
143.08528	1.6
145.04910	0.7
146.09625	1.6
147.04337	1.1
147.10394	0.6
148.07571	7.1
148.11157	1.2
149.08273	0.8
150.09117	5.0
152.10661	1.9
157.10088	1.1
158.09598	1.3
160.07565	1.2
160.11198	5.6
162.09105	1.4
162.12643	0.5
164.10703	25.0
165.10231	1.5
166.12262	2.2
174.09222	0.5
174.12772	11.4
176.10612	0.6
178.12244	0.7
180.10185	1.3
184.11218	1.2
185.09589	0.6
190.12241	1.8
192.13774	1.9
193.13388	0.6
200.10896	0.6
202.12254	35.9
203.12575	1.2
204.13844	5.8
205.16524	0.5
220.13293	6.0
233.16466	100.0
234.16815	4.2
246.13341	0.6
251.17529	43.3
252.17818	1.9
262.12970	0.7
264.14413	1.7
293.18219	0.5
395.21921	1.2
413.22803	72.0
414.23068	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	413.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28067	0.6
50.30486	0.5
51.37185	0.5
53.03859	0.8
55.01780	0.8
55.05403	1.3
57.03345	1.2
57.03578	0.6
61.02815	1.5
61.03074	0.7
65.35791	0.6
67.05412	0.7
69.03297	3.7
70.06457	8.1
70.06882	1.9
71.04890	0.8
71.31291	0.6
71.31641	1.3
72.08018	7.4
72.08462	1.7
73.02824	0.8
73.78394	0.7
79.05358	2.5
80.04903	0.8
81.03275	2.3
81.06945	1.5
82.06488	1.2
84.04397	0.8
84.08002	39.3
85.02761	11.7
85.03309	1.4
85.03656	0.6
85.04260	0.6
85.08364	0.7
86.05962	1.0
86.09559	6.0
89.10669	1.4
91.05338	2.1
93.06894	2.3
93.07430	0.8
94.06445	1.6
95.04842	0.9
95.07249	1.2
95.07783	0.8
96.04365	0.8
96.08028	1.4
97.02747	4.6
98.05940	1.6
98.20866	0.6
99.04350	1.1
105.06918	1.1
106.06467	1.1
107.08465	0.7
108.07959	3.1
109.02724	2.5
110.02253	4.0
110.09544	0.7
112.07487	1.7
114.05412	0.9
115.08579	0.9
116.06998	0.7
117.03253	0.7
117.06841	1.1
118.12341	0.6
119.04923	2.9
120.05223	0.6
120.07970	1.0
122.05902	1.1
122.09555	1.0
124.07487	0.9
124.11221	3.3
127.03751	2.2
131.08391	0.6
132.08000	0.7
134.09537	0.7
135.04260	2.0
135.10321	0.8
136.06064	1.3
136.07500	1.4
138.05333	1.1
138.12625	2.3
140.06938	1.2
145.02754	1.5
145.04802	1.9
147.04398	15.2
148.04729	4.6
148.07446	0.8
148.11133	1.0
150.08983	2.4
152.06987	1.3
152.10690	36.3
153.10976	0.7
160.07423	0.9
162.09007	0.9
163.03888	18.6
166.08549	1.8
174.12758	23.5
176.14226	1.6
178.08514	1.4
180.10178	50.8
181.10400	1.2
183.11153	2.2
192.13815	54.1
193.14133	1.2
202.12230	4.3
205.16940	2.7
208.13239	1.0
209.12874	3.0
218.11772	1.4
220.13307	33.1
221.13657	1.0
222.14873	0.7
233.16573	3.0
234.11285	0.9
235.14325	1.7
237.02715	0.8
242.15393	1.3
242.65294	0.8
249.15936	1.1
251.17526	100.0
252.17917	2.7
342.15799	0.7
377.21036	0.8
395.21420	1.0
413.14835	1.2
413.22968	24.5
414.21616	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	413.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
55.05506	1.6
56.05045	0.9
56.89925	0.8
61.02914	2.9
65.01205	0.8
67.05498	1.1
68.05018	2.0
69.03419	6.9
69.07057	1.6
70.06590	9.6
71.05000	1.3
71.42149	1.2
72.08151	21.9
73.02941	1.1
79.05481	3.4
81.03405	3.2
81.07033	2.1
82.06570	4.7
84.04453	1.1
84.08133	29.8
85.02896	16.6
86.09707	4.2
89.03896	1.6
89.10770	6.4
91.05445	5.0
94.06577	2.7
95.07336	2.0
96.08115	5.6
97.02876	4.7
98.06036	4.5
98.09682	1.4
99.04423	1.7
100.07593	3.1
100.08214	1.2
103.12304	1.8
105.06998	1.9
106.06549	1.6
107.04913	1.7
107.07317	1.6
107.08566	1.1
108.08093	2.0
109.02850	2.1
110.02399	1.0
110.05984	1.2
110.09666	25.3
112.07590	8.2
115.08683	2.6
117.03364	2.1
119.04906	8.7
120.05253	1.6
120.08094	3.2
122.09648	19.8
124.07575	4.1
126.09094	1.0
127.03902	3.3
127.08640	1.4
131.08502	1.0
134.09636	4.0
135.04417	5.8
136.07559	3.6
136.11258	4.2
138.09105	1.2
143.08554	1.6
145.02821	6.6
145.04944	1.5
146.09618	2.0
147.04395	42.6
148.04735	13.1
148.07562	7.3
148.11143	1.0
149.08235	1.2
150.09137	4.3
152.10689	1.3
157.10097	1.1
160.07539	2.2
160.11208	5.5
162.09155	1.6
163.03888	49.3
164.04265	1.9
164.10696	23.5
165.10191	2.4
166.12262	2.1
173.09479	1.0
174.09157	1.2
174.12781	12.5
176.10672	1.1
177.05519	1.4
185.09532	1.2
190.12248	1.8
192.13826	1.0
202.12236	34.8
204.13852	6.4
218.11818	7.6
220.13335	5.9
232.13200	1.0
233.16463	100.0
233.63776	4.7
234.11211	4.0
234.13632	0.9
234.16791	2.8
235.14404	5.0
235.64626	0.9
242.12744	0.9
242.15190	18.7
242.65308	3.0
249.15875	1.4
251.11314	1.8
251.13800	5.4
251.17520	43.3
252.17867	1.8
264.14493	2.6
299.46680	1.2
365.09393	1.0
377.16824	1.2
395.21841	2.1
413.23257	67.0
414.19113	1.1
414.23395	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	413.207
Annotation	Cimicidine
Peak:m/z	Relative Intensity
50.99274	0.5
51.21169	0.5
51.94957	0.5
53.00301	0.6
53.03942	0.7
54.27517	0.5
55.01872	1.8
55.05509	3.7
56.05038	0.6
56.96545	0.7
57.03432	1.2
58.06609	0.7
61.02911	1.8
67.05496	1.1
69.03426	4.8
69.07061	19.7
69.59409	2.6
69.59840	2.4
70.06582	6.5
70.07391	0.6
71.01316	0.7
71.04996	2.8
72.08151	16.1
73.02923	1.0
74.00671	0.5
79.05492	1.2
80.05038	0.6
81.03414	3.4
81.07048	1.8
82.02939	1.9
82.06561	0.9
83.04964	1.5
84.04463	1.3
84.05379	0.6
84.08137	10.4
85.02898	11.0
85.06548	0.6
86.06055	0.9
86.09699	93.3
87.04477	1.4
89.03890	0.7
89.10790	1.6
91.05471	7.2
93.07020	1.1
94.06535	0.7
95.04962	2.1
95.08562	0.5
97.02892	5.3
98.02406	5.2
98.06039	6.9
98.09686	0.8
98.97569	0.8
99.00835	2.0
99.04441	1.1
100.07618	0.6
101.06012	1.8
101.07947	0.5
103.05466	1.0
103.12334	7.4
105.07027	1.6
106.06566	0.9
107.04943	7.2
109.02854	2.4
110.02393	62.7
110.07140	1.1
111.04432	1.3
112.07597	2.7
115.05428	1.0
115.08688	5.0
116.98525	0.6
117.03338	1.1
117.07005	1.0
119.04940	14.0
120.08070	1.0
121.02866	1.7
121.06503	0.8
121.10152	0.6
122.06050	0.7
123.04451	1.4
124.03940	4.0
124.07581	1.1
124.11208	0.6
125.02311	0.9
127.03909	5.0
128.03433	1.5
129.05388	0.6
129.10248	1.8
131.04961	1.4
133.06487	1.8
134.05997	0.6
134.99658	0.6
135.04407	2.5
136.06181	1.3
136.07562	1.3
137.05847	0.6
138.05470	1.1
138.09081	1.1
141.10193	0.6
142.08614	0.6
143.93320	0.6
144.05756	0.9
145.02794	2.9
145.04918	0.9
145.06470	5.8
146.11699	0.6
147.04402	27.2
148.04736	3.4
148.07600	1.0
149.05975	0.9
150.09132	1.7
152.07069	0.7
154.06210	0.8
157.06459	0.9
159.04344	0.7
160.07523	0.9
160.11186	1.0
161.05983	3.2
162.09137	1.6
163.03894	24.0
163.07524	0.8
164.07080	0.7
164.10664	1.2
165.06793	0.7
165.09108	0.6
166.08630	30.4
167.08679	0.8
171.08011	1.1
173.05925	1.0
174.12758	0.8
176.10716	0.7
177.05394	2.3
177.06786	0.8
178.08626	4.5
180.10214	3.4
183.11281	50.6
184.09676	2.8
184.11313	1.1
187.04002	0.8
189.09084	0.9
191.08517	0.8
192.13835	1.7
193.08548	1.4
195.08061	1.1
201.12302	1.1
202.12257	4.5
205.06529	0.7
207.06396	0.7
207.08093	1.9
209.09685	0.8
209.12837	0.9
211.07365	1.1
212.08276	3.6
213.09077	3.4
216.06825	0.9
218.11804	1.1
219.08054	2.0
219.11940	0.6
220.13329	7.1
223.07413	3.1
225.09210	0.6
232.13252	0.8
233.16624	2.8
234.11227	2.3
235.07486	2.2
235.14394	1.8
237.09071	3.5
247.07513	2.2
249.15958	4.0
251.06941	0.8
251.14372	1.9
251.17513	9.1
252.12244	1.6
253.08646	1.0
265.08676	3.3
267.10513	0.6
275.13916	0.9
278.98914	0.6
279.06454	1.5
280.09628	0.9
281.65979	0.6
290.16043	1.0
293.08023	1.9
307.11130	4.4
325.12234	1.3
342.15332	1.6
352.15607	0.7
378.13486	1.2
380.81064	0.7
395.19785	11.0
396.14401	1.2
396.19162	1.0
413.20648	100.0
414.16415	8.0
414.21875	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	413.2069
Annotation	Cimicidine
Peak:m/z	Relative Intensity
55.01877	0.9
56.60086	0.4
59.00727	0.4
69.03425	0.5
69.07064	16.9
70.06585	0.8
70.68363	1.5
72.08154	1.3
80.01353	1.2
81.33668	0.5
82.02919	2.0
84.08147	3.5
85.02885	1.1
86.09700	100.0
87.10043	1.0
91.05480	4.6
97.02940	0.6
98.02412	4.9
98.06034	0.7
98.21397	0.6
99.00835	1.2
100.07542	0.6
103.12333	4.8
107.04951	4.1
109.02914	0.8
110.02396	69.3
115.08682	0.9
116.03446	0.7
117.07011	0.7
119.04934	6.9
124.03947	2.9
126.58256	0.5
128.03412	0.8
129.10243	0.7
130.08669	0.5
145.06488	3.0
145.07480	0.5
147.04408	5.8
161.06009	0.8
166.08630	37.9
167.08727	0.6
173.05884	0.7
175.81956	0.5
182.69897	0.5
183.11278	61.0
184.09702	2.3
184.11549	0.9
191.08656	0.7
195.08064	0.7
197.06042	0.5
201.12325	0.9
209.09628	1.1
212.08301	4.2
213.09172	1.8
219.08127	1.6
223.07494	2.7
237.09100	3.3
247.07481	2.4
249.15892	1.0
265.08652	2.6
267.10373	0.7
291.43375	0.6
293.08115	1.6
378.17075	1.7
395.19620	16.5
396.18463	1.5
396.69913	0.5
413.20700	96.4
414.21133	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	413.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.05503	0.6
57.71410	0.3
58.06588	0.3
63.02389	0.5
64.68555	0.4
65.03961	0.5
67.05482	0.4
68.05020	0.6
69.03425	2.1
69.05801	0.5
69.07063	0.8
70.06581	2.7
71.04984	0.4
71.61060	0.6
72.08149	13.4
73.02942	0.5
79.05486	0.9
81.03411	1.0
82.06553	0.8
84.04521	0.4
84.08136	55.2
84.27005	0.3
85.02904	3.9
86.09702	4.1
89.03925	3.5
89.10782	3.9
89.13089	0.4
91.05480	1.4
93.07008	0.4
95.04953	0.4
96.08125	0.7
97.02873	1.4
98.06043	2.0
99.04436	0.5
100.07619	0.5
103.12353	0.6
107.04935	2.2
109.02882	0.5
110.02385	0.9
110.06060	0.5
110.09680	2.3
112.07625	0.8
115.08694	1.7
117.03376	4.6
118.06548	0.4
119.04937	3.2
120.08094	1.5
121.02850	0.4
122.09644	1.4
124.07550	0.7
127.03876	1.9
130.08713	0.5
131.08620	0.5
134.05995	0.6
135.04402	12.8
136.07516	0.5
136.11180	0.4
138.05554	0.6
140.07076	1.0
143.08621	0.5
145.02841	10.5
145.04926	0.6
147.04396	18.2
148.04726	3.1
148.07555	1.5
150.09097	2.4
152.07089	0.4
152.10687	0.5
160.07594	0.7
160.11221	0.6
162.09102	0.5
163.03889	100.0
164.03000	0.4
164.04231	1.6
164.10727	2.7
166.08601	1.4
174.12726	1.9
180.10172	1.2
183.11275	0.9
191.11661	0.4
192.13815	0.6
202.12242	3.0
204.13837	0.6
205.04709	1.2
208.43593	0.4
218.11717	2.5
220.13272	1.7
232.13264	0.5
233.16461	9.5
233.63831	2.2
234.11229	6.9
235.14423	2.0
237.02713	0.5
242.15187	7.3
242.65257	0.9
249.15912	1.1
250.08180	0.6
251.08885	1.3
251.13855	11.5
251.17470	7.5
307.08032	0.7
325.09103	1.2
371.18027	0.6
382.18283	0.7
395.17990	0.6
396.16577	1.4
413.13910	24.1
413.19098	28.1
413.22946	6.1
414.13974	1.0
414.19217	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	413.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93791	0.4
55.01878	0.8
57.03445	0.5
58.57179	0.4
59.76672	0.4
61.02941	0.4
64.22949	0.5
69.03418	1.9
70.02966	0.4
70.06575	1.9
70.97968	1.1
72.08151	15.8
78.63136	0.4
79.05495	1.2
81.03413	1.0
81.07064	0.4
82.06584	0.6
83.12379	0.4
84.08136	7.7
85.02896	3.3
86.09697	1.0
89.03904	3.3
89.10780	7.2
91.05491	1.1
93.07027	0.8
93.34852	0.4
94.06548	0.6
96.04498	0.4
96.08128	1.0
97.02908	1.5
97.06506	0.4
98.06044	0.9
98.09703	0.8
99.04497	0.6
100.07619	0.5
107.04969	1.9
108.08116	0.8
109.02888	1.0
110.02400	0.4
110.09660	3.0
112.07623	1.1
115.08644	0.6
117.03368	4.9
118.03727	0.4
119.04949	1.4
121.02856	0.5
122.09666	2.7
127.03919	1.0
128.87378	0.4
133.29314	0.4
134.09659	0.6
135.04407	14.4
136.11209	0.9
138.05467	0.7
140.07045	0.5
145.02829	12.7
147.04391	6.1
148.04755	0.8
148.07501	0.7
150.09140	1.0
160.11153	0.6
162.09134	0.4
163.03891	100.0
164.04208	1.7
164.10742	2.4
174.12794	1.3
180.10175	0.6
188.10751	0.5
202.12239	3.1
204.13686	0.5
218.11771	1.0
220.13249	1.3
233.16469	10.9
234.11272	4.8
235.14375	0.6
242.15225	2.2
247.14491	0.5
251.13806	11.9
251.17462	5.2
346.12790	0.4
359.15747	0.8
377.16943	2.2
395.17764	2.7
395.22186	0.7
396.16132	1.6
413.18811	44.8
414.13681	0.8
414.19339	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	413.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05510	11.9
69.03419	1.3
69.07067	1.0
69.69460	2.9
69.69881	2.5
70.06596	3.6
71.04994	1.9
72.08149	100.0
73.06548	2.3
73.08516	0.7
81.03466	0.9
85.02901	3.9
86.09702	2.9
89.10790	11.5
91.05450	2.6
91.24670	0.7
95.04967	3.3
97.02900	0.9
98.06046	38.6
103.05450	1.3
104.44007	0.9
105.07026	0.9
107.04942	10.1
109.02869	1.2
110.02396	3.1
115.05440	3.5
115.08684	48.1
117.07031	1.3
119.04914	1.6
121.02844	3.4
123.04435	2.0
127.03886	3.8
129.05508	0.9
131.04953	3.8
133.06488	0.9
135.04384	1.3
143.04915	2.1
145.06468	3.0
147.04370	7.2
149.05959	1.1
149.11674	1.1
152.07050	1.6
159.04419	5.4
160.05110	2.5
161.05922	3.2
163.03882	0.9
166.08565	2.1
175.03923	6.5
176.06865	1.1
176.10655	2.4
177.05423	3.0
179.08450	3.5
183.07971	2.7
183.11259	1.3
187.03857	23.0
188.04207	0.7
189.06975	2.1
189.09038	0.9
193.13472	1.3
203.03265	1.3
204.06450	1.0
205.04813	3.4
205.06459	5.4
207.06451	1.7
207.08046	18.4
208.08414	1.0
217.06392	1.3
218.07202	0.8
221.05818	1.5
223.07393	2.3
233.05960	8.1
234.06636	1.8
235.07509	25.4
242.04483	4.4
251.07091	4.1
252.07678	2.6
252.12228	2.4
253.08575	18.9
254.08879	1.0
255.06413	1.2
255.10048	0.9
261.05368	3.0
263.07043	8.6
265.08472	2.8
269.08109	1.9
274.10614	1.7
279.06500	46.0
280.06790	2.1
281.08066	9.6
284.09006	1.2
291.13248	2.5
297.07614	5.9
311.05280	3.0
337.06915	1.7
343.60864	0.8
349.06406	0.9
350.13867	3.9
352.15378	6.6
353.15045	1.0
365.06720	3.8
369.18054	6.0
378.13321	34.0
379.13348	2.5
395.07245	2.7
395.15961	42.2
396.14288	7.7
413.08282	1.7
413.16724	26.7
414.16855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1591
Annotation	1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
Peak:m/z	Relative Intensity
53.18372	0.1
55.05466	0.5
67.05467	0.3
69.03401	0.3
69.07011	0.4
69.33849	0.4
69.34279	0.7
72.08102	0.1
78.04681	0.2
79.05425	0.3
81.03359	0.2
81.07007	0.5
83.04942	0.2
83.08571	0.1
85.06506	0.1
89.03867	0.2
91.04971	0.1
91.05466	1.0
93.06976	0.5
94.77424	0.1
95.04913	0.3
95.08542	0.4
96.70958	0.1
97.06501	0.2
98.20534	0.1
100.78995	0.1
105.03354	0.1
105.06942	0.1
106.04120	0.1
107.04908	0.1
107.08568	0.2
109.06475	0.1
109.10121	0.3
117.03316	0.3
119.04947	0.6
121.02818	0.1
121.06453	0.1
121.10098	0.2
123.04346	0.4
123.08018	0.1
123.11621	0.2
131.04845	0.1
133.02817	0.2
133.10120	0.1
134.03613	0.7
135.04393	0.1
135.07893	0.1
137.05934	0.3
141.05383	0.4
145.10083	0.2
147.03372	0.2
147.04404	2.0
148.04643	0.1
149.05940	0.1
149.13177	0.1
151.03923	0.7
151.07513	1.0
153.05577	0.1
161.05959	0.1
163.03893	0.2
165.05475	0.8
167.07048	0.2
175.03838	0.4
177.09036	0.2
177.61722	0.1
185.76225	0.1
191.03362	1.4
191.10707	0.6
192.03903	0.1
193.04854	0.1
194.07188	0.2
195.07993	0.3
197.05980	0.2
205.12195	0.2
208.03639	0.4
209.04367	1.0
211.07449	0.3
212.08325	0.3
213.05334	0.2
222.06721	0.1
223.07541	0.6
225.05460	0.2
239.06969	0.9
240.07768	0.7
241.05136	0.1
241.08337	0.1
250.06134	0.2
251.06998	0.5
253.04930	0.4
255.10178	0.2
267.06522	3.0
268.07278	1.2
269.07935	0.1
270.05389	0.2
272.82248	0.1
278.05743	0.3
279.06485	0.7
281.04385	0.3
283.09607	0.3
293.08087	0.2
295.05991	2.3
296.06757	4.0
297.07181	0.3
306.05215	0.4
307.05911	0.3
309.03946	0.3
310.04718	0.1
311.05530	0.2
311.09088	1.8
321.07614	0.5
323.05460	2.5
324.06256	40.0
325.06610	2.3
326.07578	0.1
338.07550	0.1
339.08600	100.0
340.08926	6.2
341.06567	0.3
353.10236	0.3
357.09656	37.4
357.50592	0.1
358.09961	2.4
365.09525	0.1
395.14908	6.5
396.15286	0.5
413.15918	27.6
414.11133	0.2
414.16260	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	413.1585
Annotation	1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
Peak:m/z	Relative Intensity
50.49561	0.3
53.03871	0.4
55.05427	0.7
55.05659	0.4
56.96471	0.3
57.06991	0.3
64.96490	0.3
65.41750	0.3
67.05389	1.2
69.03335	0.9
69.06948	0.9
71.63866	0.3
72.54263	0.3
79.05379	0.8
79.05769	0.3
81.03338	0.5
81.06921	2.1
83.04885	0.7
83.08518	0.4
83.69257	0.3
85.02818	0.3
91.03774	0.3
91.05341	1.5
93.06911	1.0
95.04829	0.9
95.08456	1.9
97.02773	0.6
97.06416	0.5
99.04385	0.4
105.06950	0.7
107.04835	0.4
107.08441	1.0
109.06404	0.6
109.10004	1.5
117.03274	0.5
117.06919	0.5
119.04885	0.6
119.08465	0.5
121.10032	0.7
123.04285	1.0
123.07980	0.4
123.11626	0.6
127.03764	0.6
131.08441	0.6
133.09993	0.7
134.03522	0.7
135.07906	0.5
135.11571	0.9
137.05827	0.5
139.27008	0.3
141.05299	0.3
141.06696	0.4
145.09930	0.5
147.04385	1.9
147.11566	0.4
149.05910	0.4
149.13162	0.4
151.03793	0.4
151.07516	1.6
153.01688	0.4
159.11586	0.7
159.13834	0.3
163.03679	0.6
165.05365	1.3
171.02797	0.4
171.07698	0.3
177.01793	0.4
177.08984	0.5
181.04924	0.4
191.03236	1.1
195.02837	0.6
195.07941	0.4
201.05127	1.1
209.04448	1.5
216.05630	0.4
216.07565	6.5
227.10709	0.3
237.02711	0.3
239.06818	0.9
240.07739	0.6
251.06966	0.7
253.04796	0.5
267.06610	2.7
268.07388	1.5
279.06534	0.7
295.05994	2.9
296.06705	3.8
297.07599	0.5
306.05048	0.5
311.05438	3.9
311.09033	1.3
313.06979	0.9
323.05353	1.9
324.06244	40.6
325.06821	3.9
339.08597	100.0
340.08923	3.8
343.08130	0.7
353.10229	0.6
357.09656	37.1
358.09961	1.4
359.09314	0.4
365.09995	1.0
367.11771	1.3
377.10098	0.5
380.11917	0.5
385.12885	0.4
395.11035	1.7
395.15338	5.8
396.15045	0.4
413.15875	50.1
413.30603	0.9
414.16351	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	413.1593
Annotation	1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
Peak:m/z	Relative Intensity
50.08448	0.3
50.74117	0.2
52.56248	0.2
53.04197	0.2
55.01869	0.3
55.05497	0.5
57.07063	0.2
64.13812	0.3
67.05493	0.9
67.41863	0.2
69.03413	0.8
69.07051	1.0
71.13734	0.7
79.05016	0.2
79.05478	0.7
81.07048	1.6
83.04954	0.3
91.05460	1.2
93.07036	0.6
95.04962	0.3
95.08589	1.0
97.02911	0.2
97.06544	0.3
104.52138	0.2
105.07005	0.5
106.04210	0.3
107.08569	0.7
109.02866	0.3
109.06526	0.3
109.10155	0.6
117.03338	0.4
119.04911	0.7
119.08566	0.7
121.10107	0.3
123.04425	0.9
123.08034	0.3
123.11690	0.3
133.10103	0.6
134.03625	0.8
135.07979	0.6
135.11647	0.4
137.05975	0.5
141.05428	0.3
147.04396	1.7
147.11661	0.3
149.09737	0.3
151.03876	0.4
151.07545	2.2
153.01811	0.3
155.08614	0.3
161.09631	0.4
163.03897	0.3
163.11133	0.5
165.05466	1.0
165.09091	0.6
167.03299	0.3
175.03842	0.4
177.01836	0.4
177.09167	0.4
189.09129	0.3
191.03371	1.4
191.10684	1.1
195.08072	0.3
205.12233	0.5
208.03534	0.4
209.04451	1.4
211.07489	0.3
212.08163	0.3
223.07503	0.3
239.06937	1.1
240.07874	0.6
251.07053	0.5
267.06451	3.3
268.07220	1.4
278.05707	0.4
279.06619	0.3
295.05997	2.4
296.06775	3.4
309.03842	0.4
311.05911	0.3
311.08994	1.5
321.07462	0.6
323.05426	3.0
324.06241	40.7
325.06696	2.2
337.06775	0.3
339.08597	100.0
340.08945	4.8
341.06448	0.4
357.09653	41.4
358.09918	2.3
368.05054	0.4
377.09891	0.4
383.07434	1.8
389.65530	0.3
395.14978	6.0
396.14984	0.6
398.10049	0.8
413.16110	27.2
413.30304	0.6
414.16498	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1591
Annotation	1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
Peak:m/z	Relative Intensity
52.18941	0.3
55.05412	0.7
57.03357	0.5
57.52824	0.2
61.26800	0.2
67.05388	0.9
69.03310	0.7
69.03652	0.3
69.06946	0.7
70.11291	1.3
71.04917	0.3
79.05347	0.8
81.03281	0.9
81.03703	0.3
81.06918	1.2
83.04896	0.4
85.02811	0.4
91.05334	1.1
93.06876	0.9
93.07424	0.5
95.04852	0.6
95.08453	1.0
97.02788	0.4
97.06399	0.4
99.04337	0.4
105.06922	0.6
107.04857	0.3
107.08474	0.7
107.09100	0.3
109.02782	0.4
109.06384	0.4
109.10045	0.5
111.04303	0.3
117.03225	0.4
119.04808	0.5
119.08455	0.5
121.06424	0.3
121.10033	0.4
123.04434	1.3
126.67818	0.3
127.03795	0.4
131.08479	0.6
133.09987	0.4
134.03487	0.8
135.04343	0.3
135.11575	0.3
137.05864	0.5
141.05290	0.3
145.10011	0.3
147.04387	1.5
147.08022	0.3
149.13148	0.3
151.03795	0.6
151.07367	0.7
159.11578	0.4
165.05351	0.9
173.09523	0.3
191.03331	1.5
191.10518	0.4
192.28096	0.3
195.13672	0.4
209.04280	1.0
212.08313	0.3
222.06456	0.3
223.07310	0.3
239.06888	1.0
240.07809	0.3
246.83775	0.3
251.06932	0.5
253.04855	0.3
259.00546	0.3
267.06583	2.5
268.07349	1.3
268.09726	0.3
279.06473	0.4
293.07919	0.3
295.05988	2.1
296.06750	3.3
306.05252	0.5
311.06000	0.3
311.09021	1.4
321.07510	0.6
323.05411	2.5
324.06241	39.1
325.06589	2.0
337.07278	0.4
339.08591	100.0
340.08945	4.5
341.06421	0.4
349.11005	0.3
353.10040	0.3
357.09647	39.9
358.10068	1.5
380.08792	0.8
395.11108	4.7
395.15076	4.8
396.11337	0.6
413.16010	26.2
413.21506	1.7
413.30679	0.6
414.16415	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	413.1589
Annotation	1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
Peak:m/z	Relative Intensity
55.05480	0.3
67.05456	0.2
69.03411	0.2
69.07047	0.2
70.42986	0.4
70.43373	0.2
79.05463	0.2
81.07027	0.3
89.03876	0.3
91.05462	1.0
92.05863	0.2
93.07017	0.2
95.04939	0.3
95.08596	0.3
95.12150	0.2
105.03363	0.2
105.06963	0.3
107.08589	0.2
108.02082	0.2
109.10142	0.2
117.03346	0.3
119.04865	0.7
123.04364	0.2
133.10088	0.3
134.03606	0.7
141.05469	0.3
147.04413	1.8
148.05132	0.2
151.03857	0.4
151.07475	0.3
163.03812	0.3
165.05492	0.9
175.03857	0.3
177.57471	0.2
191.03365	1.7
193.04814	0.2
193.06430	0.2
195.07983	0.4
208.03598	0.4
209.04442	1.3
211.07457	0.2
212.08324	0.3
222.06755	0.3
239.06981	0.9
240.07875	0.9
241.08220	0.2
250.06248	0.4
251.07021	0.6
253.04961	0.5
267.06525	2.7
268.07269	1.0
278.05591	0.3
279.06470	0.4
281.04337	0.3
283.09604	0.2
285.07614	0.3
286.68420	0.2
295.05981	2.1
296.06729	3.9
297.07544	0.2
306.05194	0.6
307.05948	0.3
309.03979	0.2
311.08990	1.6
321.07458	0.7
323.05484	2.6
324.06241	41.7
325.06573	2.0
337.68887	0.2
339.08582	100.0
340.08911	4.5
357.09637	38.0
358.10004	1.6
395.14841	6.6
396.15482	0.5
413.15900	23.9
414.16043	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1591
Annotation	1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
Peak:m/z	Relative Intensity
55.05490	0.7
56.96536	1.3
57.92454	0.4
61.02917	0.7
67.05476	1.4
69.03403	0.7
69.07046	0.9
70.16570	1.8
71.04987	0.7
71.49120	0.4
73.02893	0.5
79.05481	0.9
81.03395	1.7
81.07027	2.0
83.08604	0.9
85.02877	0.9
91.05461	1.1
93.07020	0.9
95.04960	0.6
95.08581	1.2
97.02898	1.1
97.06519	0.7
98.02803	0.5
105.06989	1.0
107.08589	0.9
109.10141	1.0
119.08558	1.0
121.10114	1.0
123.04389	0.8
131.08516	0.8
133.10088	0.6
134.03607	1.9
145.10078	0.7
147.04396	0.5
149.13307	0.5
151.03912	1.1
151.07478	0.8
191.03441	0.9
193.12375	0.5
208.03752	0.7
209.04506	0.5
239.06966	1.5
267.06467	3.9
267.09042	1.1
267.15799	0.8
268.07175	0.6
283.11777	0.8
285.09976	1.5
285.12921	0.5
295.06070	1.2
296.06815	4.5
299.11664	0.6
323.05499	2.2
324.06250	56.2
325.06558	2.4
339.08609	88.7
340.08896	4.3
346.15738	0.5
347.15134	2.1
348.14923	0.5
357.09656	100.0
358.09961	5.6
365.16257	1.4
388.18121	1.7
413.15906	13.8
413.21426	1.0
413.26172	0.7
413.30731	0.8
414.16397	0.8
429.21335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05500	1.5
56.05045	1.1
56.96549	0.8
57.03429	1.0
61.02924	0.7
69.03407	1.6
69.07056	1.2
69.76492	2.5
69.76905	0.7
70.06590	3.8
71.04985	0.5
72.08147	5.1
73.02911	0.7
74.06077	2.5
76.42125	0.4
79.05482	0.6
81.03402	1.0
81.07053	1.0
83.04976	0.8
83.08600	0.8
84.04492	0.7
84.08136	3.2
85.02898	3.6
86.09703	9.3
87.04458	0.5
89.06030	0.4
89.10770	0.6
91.05468	1.5
93.07047	0.5
94.06570	0.7
95.04996	0.8
97.02894	1.8
98.06048	1.9
98.09698	1.0
98.97558	0.7
102.05552	1.3
103.12331	0.8
103.56950	0.5
107.04930	0.9
109.02869	1.0
110.02414	2.4
110.06010	0.8
110.07199	0.5
110.09685	1.2
111.04436	0.7
114.73777	0.5
115.08647	0.9
116.98638	0.5
117.07039	0.4
119.03545	2.0
119.04948	3.3
120.06576	8.7
120.08029	0.7
121.10118	0.5
122.06002	1.5
122.09665	0.7
124.07574	0.8
127.03912	2.8
128.07132	0.4
129.10229	0.6
131.04941	0.5
133.06456	1.0
136.06177	100.0
137.04584	1.9
137.05692	0.4
138.05447	0.8
140.07016	0.8
142.08656	0.7
145.06488	0.9
146.06026	0.7
147.04401	14.3
148.04732	2.4
149.05971	0.8
150.09154	1.5
152.07159	0.5
152.10603	0.4
160.50465	0.4
161.05966	1.5
162.04103	63.3
163.02647	0.4
163.03825	2.1
163.09914	0.8
164.10699	0.8
166.08644	1.8
171.00180	0.5
174.12723	0.6
177.00655	0.5
177.05437	1.0
178.06192	1.0
179.06606	0.8
180.10211	0.8
183.11308	1.9
202.12257	1.6
204.13847	0.7
207.06499	0.7
209.12926	1.0
220.13290	1.2
233.16508	3.3
237.09091	0.5
249.16075	1.0
250.10834	2.6
251.11037	5.4
251.13841	1.4
251.17604	4.5
268.10327	1.2
279.06570	0.5
281.09909	55.7
282.10092	0.6
311.56796	0.5
363.19257	0.5
413.14227	3.3
413.21112	7.6
413.65271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1227
Annotation	Brandisianin D
Peak:m/z	Relative Intensity
50.45670	0.8
53.03948	0.9
55.01871	1.9
55.05507	2.9
57.07058	0.6
59.05021	0.8
65.03952	0.7
67.05508	4.7
69.03436	1.5
69.07070	3.9
70.19368	0.7
70.58644	0.7
71.04970	1.2
71.61509	0.7
71.61919	0.7
72.33109	0.6
75.48887	0.6
79.05490	4.2
81.03423	1.9
81.07043	9.0
83.04978	2.3
83.08611	1.5
85.02903	1.3
85.06548	2.7
91.05452	3.6
93.07036	5.4
95.04974	2.6
95.08586	6.8
97.02876	2.0
97.06520	1.9
97.10159	0.6
99.04437	1.5
99.08087	0.7
105.03357	0.8
105.07012	4.7
107.04964	2.2
107.08577	5.5
109.02879	1.0
109.06521	2.3
109.10160	4.8
111.08064	0.7
115.05510	0.6
115.15190	0.6
117.07053	1.4
119.04948	1.5
119.08578	3.5
121.06523	1.5
121.10129	3.4
123.04421	5.3
123.08060	1.7
123.11700	1.4
125.06017	1.3
125.09639	1.1
127.03954	0.9
128.06212	0.8
129.07007	1.2
131.04926	0.8
131.08569	2.3
133.02814	1.0
133.06569	0.8
133.10133	2.4
134.03616	0.6
135.04437	2.2
135.08095	1.5
135.11711	1.9
135.13004	0.5
137.02351	5.1
137.05966	3.4
137.13304	0.7
141.07040	0.7
143.08556	1.3
145.06467	0.8
145.10124	2.9
147.04413	2.0
147.08026	1.1
147.11691	3.1
149.09628	1.9
149.13260	1.9
151.03969	1.1
151.07565	8.9
153.05478	0.7
155.08546	0.9
157.10150	1.7
159.08044	1.4
159.11699	2.0
161.05951	0.9
161.09631	0.9
161.13193	1.4
163.03894	1.5
163.07562	1.1
163.11206	1.0
163.14786	0.9
165.05475	0.9
165.06953	0.9
165.09038	1.0
167.07074	1.2
167.08469	0.7
169.06494	1.2
169.10104	1.4
171.07965	0.9
171.11676	0.9
173.09665	1.1
173.13301	1.3
175.07695	1.0
175.14717	0.7
177.05499	1.1
177.09067	1.8
179.08580	0.9
181.04901	1.1
187.07622	1.3
187.11227	1.4
189.09198	0.9
191.03400	4.9
191.10672	2.9
193.08519	0.7
195.08023	1.1
197.05960	1.3
199.07487	0.9
201.05336	0.9
201.12854	0.8
203.10616	1.1
205.08594	0.8
205.12225	1.7
207.11833	0.7
209.04408	4.5
211.07596	1.5
215.07076	1.4
215.10687	1.0
223.07597	1.4
225.05310	0.8
229.04904	0.8
229.15895	0.9
241.08511	1.0
243.06525	1.6
247.07381	0.7
251.07043	0.9
251.12914	0.9
257.09760	0.9
260.08435	0.7
269.08078	0.9
279.06528	2.0
281.07980	0.9
296.06421	0.7
297.07486	2.5
299.05563	2.4
303.09897	1.2
305.07831	0.9
307.06119	1.1
309.07382	1.2
311.05478	0.7
312.06323	0.8
317.07852	0.8
321.07358	0.7
323.05667	1.2
324.06281	3.3
325.07025	100.0
326.07321	3.7
331.09467	1.9
334.08292	0.8
335.08975	1.4
337.07242	0.9
339.04886	1.2
339.08612	7.9
341.06516	2.0
343.08121	21.1
349.10651	5.7
350.07535	0.8
351.08554	0.8
353.10178	1.3
357.09708	2.9
359.09222	4.5
362.07910	0.9
365.10300	0.8
367.11691	6.8
377.10153	25.6
378.10645	1.0
385.12885	6.5
395.11179	37.1
395.29379	1.0
396.11761	1.0
413.12219	82.0
413.30499	2.8
414.12646	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	412.2224
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
53.03942	0.3
55.05502	3.3
56.38390	0.3
69.03407	0.4
70.08646	0.7
70.09059	0.6
72.08147	38.1
91.05481	0.7
93.07036	0.9
95.04955	0.3
98.21402	0.4
100.07608	0.4
100.11256	0.9
103.05456	3.2
107.04971	0.4
109.06502	0.2
120.08091	100.0
121.08444	1.0
123.04430	0.3
127.03846	0.4
149.05902	0.3
166.08620	4.2
182.15440	0.4
185.03001	0.3
210.14821	0.4
219.14902	39.5
220.15234	0.9
247.14392	15.7
248.14458	0.4
265.15433	2.6
331.74606	0.4
384.78510	0.3
412.21939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2226
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
53.03924	0.3
53.38997	0.3
55.05508	3.0
55.21474	0.2
57.05804	0.4
66.27321	0.2
70.07150	1.3
72.08150	38.2
73.86907	0.3
79.12914	0.3
81.07063	0.3
83.08632	0.3
84.08167	0.3
91.05476	0.7
93.07047	1.1
95.04955	0.3
100.07590	0.4
100.11259	0.9
103.05456	2.5
111.04446	0.3
120.08095	100.0
121.08441	1.1
127.03853	0.2
133.10028	0.2
147.04300	0.2
166.08635	4.1
169.25572	0.2
182.15385	0.5
210.14932	0.6
219.14909	44.2
220.15332	0.7
247.14407	18.9
248.14598	0.3
265.15451	2.8
277.62872	0.2
331.74625	0.6
412.20850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42660	0.6
51.01093	0.6
53.03935	1.4
53.68237	0.6
54.52634	0.6
55.05506	7.7
57.03425	2.4
58.06595	2.6
59.04998	1.5
61.02919	1.3
67.05486	0.8
67.12775	0.6
68.35396	0.7
68.44938	0.6
69.03424	9.4
70.06587	6.9
71.04968	1.2
71.60506	1.0
72.08158	8.9
73.02919	1.6
73.08459	0.7
81.03408	2.1
82.06577	0.9
83.04987	4.5
84.08138	52.7
85.02898	14.9
85.03386	0.6
85.06547	1.6
85.08450	0.8
86.06065	1.9
86.09721	1.8
87.04459	4.5
89.10779	2.5
91.05486	0.7
97.02891	3.9
98.06078	1.6
98.09708	1.4
98.97586	2.4
99.04448	2.5
100.07603	1.0
100.11263	2.6
101.06010	20.9
105.05502	1.1
107.04982	1.0
109.02896	3.0
110.07183	0.7
111.04432	1.7
114.09163	4.2
114.74175	0.5
116.07141	1.4
116.98619	1.3
117.03396	1.3
119.04935	3.3
127.03922	4.8
128.10707	25.3
128.98598	0.7
130.08661	1.2
132.10229	1.4
135.04385	3.1
136.06168	0.9
138.05502	1.8
144.10182	0.8
145.01843	0.6
145.02888	2.6
145.04974	1.3
146.08069	1.1
146.11748	18.7
146.99606	0.6
147.04396	17.8
147.05495	1.0
148.04752	4.6
157.03531	0.7
160.59508	0.6
163.03894	28.3
175.47990	0.6
177.00690	0.9
178.04984	1.2
188.12875	1.7
192.21078	0.7
218.13936	0.6
219.01932	0.9
230.13960	2.4
234.11301	1.1
235.14435	1.3
237.02802	1.1
242.08098	0.7
242.15298	1.9
250.06989	0.7
250.10776	1.0
251.13979	2.7
251.17624	1.7
272.14835	4.3
276.14508	2.2
290.13403	0.6
290.15976	20.4
412.21783	100.0
413.09589	1.6
413.14059	2.2
413.19360	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	412.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
55.05498	0.3
57.03426	0.3
61.02894	0.3
65.03931	0.5
67.05516	0.2
69.03419	1.3
69.07054	1.1
69.74409	1.0
70.06586	0.9
71.04990	0.2
72.08154	2.7
73.02903	0.2
73.08488	0.2
78.45521	0.1
78.79574	0.1
79.05471	0.2
81.03400	0.5
81.06970	0.2
82.06586	0.1
83.04974	0.2
84.04510	0.2
84.08158	0.7
85.02900	2.6
85.66995	0.1
86.06039	0.5
86.09697	3.7
87.04449	0.3
87.08118	0.3
89.10773	0.3
91.05470	4.1
92.05819	0.2
97.02882	1.1
97.06499	0.2
98.02324	0.1
98.06012	0.2
98.20682	0.2
99.04458	0.2
100.07604	0.4
102.21446	0.1
104.10728	2.4
105.07011	0.2
107.04971	0.4
109.02862	0.4
109.10163	0.2
110.02393	1.4
112.07538	0.2
115.08603	0.2
119.04934	13.3
120.05246	0.4
120.08192	0.2
123.04444	0.2
127.03916	0.7
128.39049	0.2
129.10220	0.2
131.04869	0.2
133.06514	0.2
145.04951	0.3
145.08606	0.4
146.06056	0.2
147.04398	100.0
148.04744	2.1
152.07065	0.4
153.07422	0.2
163.03926	0.4
163.24623	0.2
164.07143	0.2
166.08618	0.4
170.07979	0.2
178.05042	0.2
183.11339	0.3
185.06012	0.3
189.05486	0.2
218.11751	0.4
220.88261	0.2
228.00232	0.2
231.06378	0.2
232.13394	0.4
235.14297	0.3
236.14551	0.2
237.02751	0.2
250.10387	0.6
250.14371	15.8
251.14795	0.3
291.08630	0.3
309.09683	1.0
322.66891	0.2
331.18387	0.2
344.11655	0.2
395.19846	0.2
412.14835	0.2
412.19608	1.5
413.11911	0.3
413.20932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85086	0.1
57.03417	0.1
65.03939	0.3
69.03416	0.5
69.07051	0.5
69.73036	0.3
69.73436	0.9
70.06586	0.4
71.04990	0.2
72.08155	0.9
76.05080	0.1
81.03389	0.2
84.08126	0.3
85.02895	0.6
85.03375	0.1
86.06087	0.1
86.09706	2.6
91.05473	3.4
93.55006	0.1
97.02892	0.3
98.06053	0.2
104.10745	1.0
107.04915	0.1
110.02393	0.7
112.07601	0.1
119.04935	11.6
120.05300	0.2
121.06503	0.4
127.03901	0.5
145.04951	0.1
145.06389	0.1
147.04399	100.0
148.04742	2.1
152.07095	0.2
161.06088	0.1
165.05513	0.2
166.08641	0.2
167.06995	0.2
170.08124	0.3
177.05574	0.1
183.06630	0.2
183.11307	0.5
208.87782	0.1
250.10844	0.7
250.14377	2.9
291.08502	0.7
309.09668	2.9
358.60638	0.2
412.19864	2.5
413.20566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72323	0.2
63.53986	0.2
65.03920	0.2
68.63268	0.2
69.03425	1.0
70.06570	0.3
71.04986	0.2
71.08146	0.3
71.08500	0.2
72.08142	0.4
75.99627	0.2
81.03411	0.3
85.02901	1.6
86.06058	2.7
87.04446	0.3
88.15618	0.2
91.05470	4.4
91.57566	0.2
97.02881	0.7
100.21902	0.2
103.05523	0.2
104.07097	0.5
109.02834	0.2
117.10864	0.2
119.04931	16.1
120.05266	0.2
127.03935	0.8
147.04391	100.0
148.04724	1.7
163.03938	0.2
165.05428	0.3
189.05557	0.2
198.53490	0.2
250.10738	8.9
267.04855	0.2
284.40512	0.2
291.08585	0.6
309.09595	1.1
384.40286	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	412.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.96570	0.4
57.03413	0.3
59.04977	0.2
61.02898	0.2
63.19971	0.1
65.03927	0.4
67.05507	0.2
69.03435	1.1
69.07051	0.3
69.65484	1.2
70.06591	0.8
71.04980	0.2
72.08157	1.2
73.02890	0.2
79.05469	0.3
81.03436	0.4
83.04974	0.2
84.08143	1.1
85.02895	1.4
86.06062	1.8
86.09697	1.5
87.04458	0.3
91.04958	0.3
91.05480	4.1
95.04958	0.5
96.08115	0.2
97.02896	0.9
97.06471	0.2
98.06041	0.3
98.09659	0.3
98.97597	0.2
99.04410	0.2
101.05989	0.2
103.12377	0.2
104.07106	0.2
105.07005	0.5
107.04940	0.4
109.02872	0.3
110.02370	0.3
110.09654	0.2
115.08635	0.2
116.07108	0.2
116.38514	0.2
119.04939	15.0
120.05268	0.4
121.06522	0.2
123.04459	0.3
124.03958	0.7
124.07587	0.2
126.05480	0.1
127.03921	2.0
128.98564	0.2
131.04883	0.2
133.06499	0.4
135.04362	0.3
136.06181	1.2
136.07576	0.2
137.05919	0.3
138.05484	0.6
143.08456	0.2
143.29208	0.1
145.02850	0.2
145.04984	0.3
147.04402	100.0
148.04744	2.4
153.24170	0.2
161.05946	0.4
163.03894	0.4
163.07567	0.2
165.05530	0.3
167.07036	0.2
177.00688	0.2
177.05505	0.5
178.06224	0.6
183.11330	0.2
188.10768	0.1
189.55687	0.3
191.10614	0.3
193.08598	0.3
194.08130	0.2
217.13383	0.2
232.09674	0.3
233.11691	0.4
237.02798	0.3
239.07036	0.2
249.15919	0.4
250.10716	5.7
250.14694	0.4
251.17488	0.4
291.08627	0.7
291.57721	0.3
309.09644	2.5
322.37689	0.2
335.91681	0.2
351.09232	0.2
361.35175	0.2
395.08667	0.2
412.15421	2.6
412.20667	0.4
413.20731	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26575	2.1
55.05513	5.1
57.07061	9.4
57.92389	2.1
63.12730	2.6
63.33451	2.6
67.05502	16.8
69.07065	15.4
69.69554	4.9
69.69968	11.4
71.04990	4.3
79.05492	9.7
81.07055	68.8
83.08617	4.5
85.06527	8.2
91.05484	5.1
91.53729	2.4
93.07038	18.4
95.08604	100.0
97.10168	4.3
98.20816	5.0
104.64698	2.4
105.07031	12.5
107.08582	22.1
109.10158	34.9
111.08124	2.3
111.11762	3.1
119.08579	12.4
121.10141	26.2
123.11697	25.9
131.08569	8.0
133.10135	12.0
135.11707	13.7
137.13252	79.5
145.10120	11.5
147.11678	12.4
149.13249	9.8
151.14828	7.4
152.46304	2.5
157.10176	3.7
159.11674	11.5
161.13229	9.1
163.14832	6.0
171.11711	7.9
173.13321	9.2
175.14796	3.7
177.16383	4.3
185.13295	3.1
187.14844	7.8
189.12886	3.3
189.16371	6.3
191.17923	10.4
193.15894	3.2
193.19472	3.2
199.14857	3.4
201.16394	12.1
203.17883	5.5
205.19469	3.3
213.16397	4.5
215.17964	8.1
217.15878	2.6
217.19559	4.6
219.17337	2.9
227.17926	3.3
229.19562	4.8
232.30945	2.5
241.19508	5.4
243.21106	17.0
255.21056	6.0
257.22827	2.6
259.20541	4.7
261.22131	9.1
269.22675	3.4
273.22101	2.9
309.25519	3.5
323.27228	7.3
324.28152	4.3
393.35352	16.1
411.31427	25.9
411.37222	27.2
412.32736	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03961	1.6
55.05508	7.9
57.07065	3.0
59.04984	1.1
60.67704	1.0
65.03931	1.5
67.05163	1.7
67.05502	21.8
68.51510	1.2
69.07065	16.8
69.76248	1.0
71.08627	1.7
71.53677	2.7
74.27499	1.0
79.05487	16.0
81.07053	47.9
83.08626	6.9
91.05476	13.2
93.07041	45.1
95.04962	2.6
95.08605	100.0
97.06499	1.7
97.10172	5.5
105.07028	28.1
107.08590	76.3
109.06488	1.6
109.10153	42.7
109.10908	2.2
111.08038	2.0
111.11742	1.6
117.07055	1.6
119.08576	34.9
121.10139	54.2
123.08012	1.4
123.11703	14.5
125.09592	1.6
129.57280	1.0
131.08577	4.6
133.10120	28.9
135.11690	31.1
137.09625	1.9
137.13252	4.4
145.10094	8.8
147.11681	18.0
149.13257	31.5
151.11115	1.5
151.14809	1.3
159.11726	9.0
161.13252	22.2
163.14821	65.3
165.12773	1.6
173.13274	9.6
175.14827	24.0
177.12787	2.0
177.16397	20.8
179.14296	7.2
184.22766	1.0
187.14815	12.8
189.16376	27.8
191.10620	1.2
191.17926	17.8
199.14772	2.3
201.16405	6.2
203.17946	34.6
205.15970	3.3
205.19576	6.0
205.21216	1.0
207.17436	8.6
213.16402	1.6
215.17975	5.6
217.19472	6.8
227.17966	1.2
229.19519	3.9
231.21059	17.0
233.19017	3.1
233.22681	2.5
241.19592	2.7
243.21089	1.5
247.20665	1.5
255.21121	1.9
257.22781	1.5
271.24176	1.3
297.25784	14.0
315.26819	6.1
341.28488	4.2
393.35196	15.0
405.53848	1.5
411.14658	2.3
411.36261	79.3
412.36731	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	411.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78967	3.0
55.05507	7.3
57.07051	6.6
67.05494	18.2
69.07066	17.4
69.48792	15.2
69.49222	13.7
72.75228	2.9
79.05460	9.1
81.06640	4.2
81.07052	55.6
83.08586	8.9
85.86741	2.8
91.05466	9.1
93.07049	27.9
95.04924	3.2
95.08595	100.0
96.57362	2.8
97.10135	6.2
98.21432	6.3
105.07013	24.2
107.08582	50.0
109.10148	53.3
110.15243	3.0
119.08568	39.3
121.10136	35.4
123.11674	19.4
131.08577	5.9
133.10123	27.8
135.11685	45.5
137.13246	41.0
145.10086	14.0
147.11650	22.4
149.13217	21.7
151.14803	3.1
158.56332	2.9
159.11674	13.7
161.13225	22.1
163.14832	22.6
171.11644	4.8
173.13228	12.9
175.14806	21.7
177.16351	16.3
179.14288	4.2
179.17896	3.7
187.14810	10.3
189.16341	29.6
191.17987	16.2
193.15967	3.4
199.14781	4.0
201.16362	12.0
203.17934	30.9
207.17436	16.9
213.16382	4.4
215.17944	12.1
217.19492	8.4
219.17445	3.2
221.18921	3.5
229.19476	13.7
231.20985	7.9
233.19043	3.8
241.19531	3.5
243.21066	9.7
247.20612	9.8
255.20967	13.6
257.22653	8.0
261.22250	4.2
269.22577	4.2
273.22150	8.3
297.25537	4.4
351.30521	6.8
393.13443	2.7
393.35089	41.7
411.14502	4.9
411.36374	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3618
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.14077	2.7
53.03955	3.0
55.05509	14.4
56.68543	2.8
57.07070	5.5
58.41605	2.6
67.05500	26.2
69.07062	24.3
69.69208	10.4
69.69621	7.6
70.81168	2.8
79.05494	11.8
81.07050	59.5
83.08614	9.1
91.05479	10.1
93.07034	32.0
95.04927	3.6
95.08595	98.5
97.10149	4.9
105.07023	24.6
106.31538	3.0
107.08584	55.6
109.10149	49.3
117.07042	4.3
119.08570	42.1
121.10127	37.5
122.36247	2.7
123.08115	3.4
123.11697	18.8
131.08607	8.7
133.10126	36.5
135.11678	31.0
137.13274	6.5
145.10173	13.2
147.11678	27.7
149.13240	24.7
159.11662	23.9
161.13231	24.0
163.14801	29.9
163.15892	3.1
165.12773	2.9
165.16388	3.5
171.11821	5.5
173.13319	12.4
175.14801	37.2
177.16417	20.0
179.14392	6.1
185.13191	2.6
187.14940	10.3
189.16367	43.7
191.17943	31.6
193.15947	4.4
199.14864	5.1
201.16324	16.2
203.17917	55.2
205.15883	3.5
205.19597	5.0
207.17419	18.8
211.14496	3.1
215.17882	21.0
217.19600	11.4
221.19124	7.4
229.19597	9.7
231.21136	14.3
233.19093	7.9
243.21074	7.2
251.06932	2.9
255.21101	5.0
257.22726	7.0
269.22675	5.8
287.23737	3.2
297.25705	5.2
351.30701	8.8
393.13663	4.2
393.35205	43.7
393.39902	3.9
411.14737	9.7
411.36334	100.0
412.36627	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	411.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02856	0.2
61.82796	0.2
65.03929	0.5
69.03434	0.9
69.81990	0.6
69.82405	1.2
70.06599	0.5
72.08152	2.2
74.50871	0.3
81.45523	0.2
84.08170	0.7
85.02912	0.7
86.06006	0.2
86.09704	4.5
89.10834	0.3
91.05476	5.0
97.02908	0.4
98.06077	0.5
98.09694	1.0
98.21495	0.2
103.12326	2.1
105.89996	0.2
109.46925	0.2
112.07605	1.5
115.08718	0.3
119.04935	16.9
120.05263	0.4
127.03917	0.4
129.10193	0.5
142.36671	0.2
145.07597	0.7
147.04399	100.0
148.04724	1.7
150.05515	0.4
212.12975	0.3
218.11766	0.4
232.13263	0.4
235.14362	0.9
240.12218	0.4
247.14363	0.3
248.14735	0.4
249.16006	7.8
250.10686	0.6
258.13379	1.5
276.14398	1.1
411.21014	33.5
412.21381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97204	0.3
55.01864	0.7
55.05498	0.8
57.03432	0.5
67.05508	0.6
69.03417	0.8
69.07058	1.2
70.06583	1.6
70.62823	0.6
70.63174	0.9
72.08147	3.3
72.41502	0.3
79.05491	0.5
81.03398	0.7
81.07052	1.6
83.04987	0.5
83.08588	0.5
84.04490	0.5
84.08167	0.7
85.02909	1.1
85.06549	1.0
86.06052	0.4
86.09705	1.0
86.27996	0.3
87.04478	0.4
91.05483	1.2
93.07037	0.8
95.04935	0.4
95.08601	1.4
97.02879	0.6
97.06507	0.3
98.06047	1.7
105.07030	0.7
107.04917	0.6
107.08596	1.1
109.02945	0.4
109.06525	0.3
109.10133	0.8
110.02387	11.7
110.03155	0.6
115.08686	1.5
119.04951	0.9
119.08562	0.5
120.08093	0.4
121.02827	1.6
121.10157	0.8
122.03236	0.4
122.09730	0.3
124.07587	0.4
127.03920	0.8
136.07486	0.4
140.07143	0.3
147.04362	2.2
152.07031	5.0
169.09715	4.7
173.05933	0.4
175.07555	0.7
177.05534	0.4
177.16367	0.8
195.17427	0.6
203.05199	0.7
206.04463	0.7
212.07181	0.4
213.18541	1.5
215.07222	0.4
218.11838	0.4
222.04909	0.4
231.19576	1.1
248.10208	0.6
249.10840	0.3
249.20569	0.7
296.06393	0.5
297.06708	1.1
299.08167	0.4
309.07077	0.4
322.07697	0.5
323.08267	0.7
325.44165	0.4
326.07370	0.7
327.07718	1.4
337.09879	1.0
341.09024	0.4
347.08878	0.4
351.07687	0.9
363.08588	0.4
365.09204	1.3
367.16971	0.6
383.10599	0.4
393.08630	4.2
394.16959	0.9
411.09970	6.0
411.19910	100.0
412.10452	0.5
412.20419	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	411.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.05509	1.5
57.03424	0.5
67.05480	0.5
68.05067	0.4
69.03428	1.8
69.07073	1.4
70.01193	0.4
70.06591	2.1
71.05006	0.7
72.08142	3.4
78.88891	0.5
79.05507	0.6
81.03411	0.9
81.07064	0.7
82.02939	0.5
84.04528	0.4
84.08145	0.7
85.02907	1.8
85.06517	1.3
86.09705	1.1
91.05473	1.0
93.07056	1.0
95.04956	0.4
95.08591	0.6
97.02890	1.6
97.06523	0.5
97.10177	1.0
98.06059	1.2
98.97570	0.4
99.04465	0.6
105.07018	0.7
107.04948	0.6
107.08615	0.9
109.02892	0.7
109.10190	0.8
110.02398	16.0
115.05467	0.4
115.08686	1.5
119.04926	0.7
120.08096	0.4
121.02876	1.1
121.10164	0.6
125.09647	0.5
126.09138	0.7
127.03905	2.1
129.10275	0.5
131.04872	0.4
143.10635	0.8
145.06541	0.5
147.04419	2.3
147.09187	1.1
152.07062	8.1
161.06015	0.6
169.09720	6.2
173.06114	0.4
173.09387	0.6
175.07539	0.5
178.04904	0.5
185.81287	0.4
187.07495	0.4
191.08115	0.8
203.05255	6.0
207.08205	0.6
213.18555	0.5
214.34637	0.4
217.14392	0.4
231.13498	4.3
231.19682	0.4
237.02757	0.4
247.14294	0.5
250.80894	0.4
252.05954	0.5
325.13989	1.2
347.13629	0.8
349.09561	0.6
353.15747	4.3
365.14584	0.5
393.13901	1.1
393.18726	0.6
411.19925	100.0
412.20410	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	411.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
68.05862	0.5
68.90930	0.4
69.03412	0.8
69.07062	1.0
70.06586	1.1
71.04984	0.7
71.62541	0.7
72.08141	3.4
72.70971	0.4
81.03411	0.5
81.07066	0.5
82.06541	0.4
83.04986	0.6
84.08131	0.8
85.02905	0.9
86.09708	2.2
91.05473	0.8
96.37794	0.4
97.02888	0.6
98.02357	0.7
101.54934	0.4
105.07043	0.9
107.04961	0.8
107.08594	0.5
109.02879	0.7
109.06536	0.4
110.02395	10.1
117.54003	0.4
119.04947	0.5
121.02873	4.1
127.03921	0.6
129.10318	0.4
133.06485	3.9
135.04366	0.6
145.02861	0.6
147.04396	2.9
152.07068	4.1
153.01814	1.3
159.42789	0.4
161.06029	0.8
163.03946	0.7
166.08627	0.7
169.09727	3.6
172.98059	0.4
173.09369	0.7
191.80469	0.4
199.07599	0.5
203.05238	5.6
217.21393	0.4
231.13547	6.1
235.07472	0.4
237.09088	0.4
249.14554	0.5
263.06995	0.6
263.96069	0.4
267.06534	1.3
272.12921	1.0
273.07611	0.9
276.39139	0.4
280.09717	0.7
353.15665	3.5
393.08789	0.5
393.18430	0.6
394.16290	0.8
404.63721	0.4
411.19766	100.0
412.19989	3.7
431.14008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24643	0.3
67.05489	0.4
69.03419	0.4
69.07060	0.4
71.04963	0.4
71.07050	0.3
71.07376	0.5
79.05484	0.4
81.07018	0.3
85.02902	0.6
91.05471	0.5
95.04964	10.3
99.04465	0.9
105.07024	0.5
110.02369	0.6
119.08597	0.4
121.06512	0.3
133.10123	0.5
141.44388	0.4
147.04488	0.7
152.07101	0.3
153.01843	0.4
153.09151	0.9
160.83659	0.3
175.07292	1.4
203.05255	13.5
223.00871	0.3
231.13559	4.2
231.15808	0.4
237.02769	0.4
249.14615	0.5
273.07645	0.8
318.06750	0.4
337.20273	0.3
411.19864	100.0
412.20178	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	411.1985
Annotation	Flumethasone
Peak:m/z	Relative Intensity
55.05494	0.4
69.02965	0.2
69.03391	0.2
70.06580	0.6
70.77753	0.7
72.08163	1.1
76.31482	0.2
84.08141	0.6
84.28008	0.2
86.09736	0.3
98.97586	0.3
109.02856	0.3
109.43098	0.2
110.02377	0.4
147.04387	0.6
152.07042	0.3
177.05415	0.4
185.65114	0.2
249.14526	0.7
371.29236	0.2
411.19830	100.0
412.20224	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	411.1909
Annotation	Brucine N-oxide
Peak:m/z	Relative Intensity
55.01851	0.6
55.05501	1.8
56.01383	0.3
67.78918	0.2
69.72270	1.8
70.06561	0.6
72.08150	5.8
76.99158	0.3
79.54104	0.2
80.01359	0.9
82.02934	3.7
82.18241	0.2
91.05469	0.3
98.02409	3.1
98.06017	0.4
98.21492	0.3
107.04932	0.4
110.02392	100.0
111.02779	1.2
111.76729	0.2
115.08722	0.3
117.03368	0.6
117.47051	0.3
119.04953	0.7
134.03610	0.3
145.02829	1.9
145.06477	0.4
147.04404	1.6
149.05988	0.3
152.07051	45.1
153.07310	1.0
165.06892	0.3
169.09708	37.9
169.56535	0.2
170.10063	0.5
175.07494	1.1
177.05460	3.1
178.09908	0.2
183.08072	0.6
187.07570	0.7
201.05344	0.3
207.08113	0.3
211.07545	0.8
218.11778	0.2
228.07648	0.3
232.11188	0.2
235.07652	0.4
235.14423	0.4
243.10176	1.2
265.15326	0.6
267.10107	0.5
300.12247	0.4
307.92822	0.3
314.23471	0.3
394.16534	2.0
411.19125	34.1
412.19568	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	411.1433
Annotation	Dehydrodalpanol
Peak:m/z	Relative Intensity
54.78610	0.3
61.09519	0.3
67.05577	0.8
69.03040	0.3
69.03463	0.3
69.07141	0.4
70.41816	1.1
79.05552	0.4
81.07132	1.3
91.05527	0.5
93.07130	0.9
95.08681	0.9
96.70193	0.3
97.06596	0.3
97.80557	0.3
105.03488	0.3
105.07125	0.8
107.05019	0.4
109.06568	0.6
109.10215	0.6
117.07162	0.3
119.08644	0.4
121.02947	0.2
121.06630	0.3
121.10238	0.6
123.04461	0.5
123.08154	0.3
128.04605	0.3
128.40613	0.3
129.07098	0.3
131.23468	0.3
133.02928	0.3
133.10196	0.3
134.03709	0.9
137.06087	0.5
138.85490	0.2
141.07068	0.3
143.08696	0.3
145.06549	0.3
145.10280	0.3
147.04420	0.4
147.11734	0.5
149.02420	0.3
149.06058	0.5
151.03999	0.8
151.06596	0.3
151.07494	1.4
159.04572	0.3
161.06094	0.6
163.04073	0.3
163.07651	0.6
173.06042	0.4
175.03999	0.3
175.07648	0.4
177.09267	0.4
187.03931	0.3
191.03505	0.4
191.10779	0.3
193.05107	0.6
198.06845	0.4
201.05554	0.6
203.03448	0.3
203.07175	0.4
213.05608	0.8
226.06311	0.5
227.07188	0.9
229.05112	1.0
231.06528	0.3
239.07092	0.3
245.08098	0.3
247.06126	1.0
248.94110	0.5
261.09189	0.6
262.08533	0.4
267.06711	0.5
276.11435	0.4
277.08936	0.3
279.06628	0.8
279.10446	0.5
280.07248	0.4
287.10428	0.3
289.08652	0.7
290.09409	0.3
291.10248	0.5
293.08142	1.1
296.06888	0.6
303.10242	1.2
307.06372	0.5
307.09830	1.6
308.06760	1.0
313.07184	0.4
315.10239	0.4
317.08197	0.6
319.05930	0.5
319.09470	0.5
321.07623	1.1
321.11307	1.0
323.05655	0.4
323.09189	1.1
324.06253	8.9
325.06787	0.5
331.09674	0.5
332.10425	0.7
333.11176	0.8
335.05576	0.4
335.09082	3.9
336.06317	2.4
336.09976	0.8
337.07175	0.7
337.10791	0.7
339.08582	13.3
343.09677	0.8
345.07660	0.5
346.08054	0.4
347.09106	0.3
347.13174	0.4
348.06390	0.6
349.07056	1.0
349.10739	0.8
350.07870	1.7
351.08633	3.5
351.12308	1.0
359.09097	1.3
360.09882	4.5
361.10593	0.8
363.08633	7.5
364.09329	1.1
365.10181	1.6
365.14032	0.8
369.09744	0.5
375.12253	7.6
375.16824	0.5
377.10266	1.2
378.10986	16.0
379.11398	0.8
381.09747	0.4
393.13342	39.0
394.13834	1.4
396.11743	1.4
411.14371	100.0
412.14700	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1434
Annotation	Dehydrodalpanol
Peak:m/z	Relative Intensity
67.05480	0.7
91.05444	0.2
92.73509	0.2
105.03388	0.3
117.07123	0.2
133.02863	0.4
134.03651	0.7
137.02354	0.2
141.07024	0.3
149.05962	0.3
151.03925	1.2
161.05925	0.3
163.03812	0.2
175.03912	0.3
187.07460	0.3
191.03355	0.3
195.08116	0.5
197.05939	0.3
198.06717	0.6
199.07501	0.5
201.05455	0.7
203.03423	0.3
203.06985	0.4
211.07539	0.4
213.05472	1.0
215.03520	0.2
220.03674	0.2
223.07530	0.4
225.05582	0.4
226.06326	0.5
227.07030	1.4
229.04912	1.4
229.18500	0.3
231.06546	0.4
233.04422	0.7
235.07430	0.3
241.08571	0.3
244.07123	0.3
247.05908	1.3
251.07072	0.5
259.11224	0.3
261.09079	0.6
263.07065	0.3
267.06509	1.0
272.44278	0.3
273.41821	0.2
275.10681	0.5
277.08707	0.3
279.06516	1.0
279.10095	0.7
280.07245	0.4
287.10699	0.5
289.08618	0.8
293.08041	0.9
293.11368	0.3
295.06058	0.4
296.06879	0.5
298.04779	0.3
303.07089	0.3
303.09970	1.2
304.11069	0.5
305.11893	0.5
306.08798	0.3
307.05954	0.6
307.09665	1.7
308.06775	1.0
313.07135	0.4
315.10190	0.5
317.08160	0.7
318.09213	0.3
319.06104	0.4
319.09589	0.5
321.07562	1.3
321.11313	1.5
322.08282	0.5
323.05667	0.4
323.09198	1.4
324.06277	12.0
325.06699	0.7
331.09607	0.6
332.10492	0.8
333.11227	0.7
335.05399	0.3
335.09082	4.5
336.06299	2.6
336.09790	0.5
337.06918	0.8
337.10703	0.4
339.08606	15.1
340.08865	0.9
343.09662	1.0
345.07596	0.6
346.08325	0.3
347.12683	0.5
348.06284	0.6
349.06900	1.1
349.10815	0.9
350.07767	1.8
350.11588	0.5
351.08585	4.6
351.12271	0.8
353.10123	0.8
359.09106	0.9
360.09891	6.1
361.10657	0.9
363.08606	8.5
364.09299	2.2
365.10071	1.9
365.13806	0.4
369.09732	0.5
375.07471	0.5
375.12250	8.9
376.12558	0.3
377.10135	1.3
378.10956	17.9
379.11383	1.0
381.09256	0.4
393.13300	39.7
394.13733	2.5
396.11871	1.2
411.14352	100.0
412.14713	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	411.1437
Annotation	Dehydrodalpanol
Peak:m/z	Relative Intensity
51.41977	0.2
55.01835	0.2
55.05481	0.3
63.22348	0.2
67.05505	1.2
69.03370	0.9
69.03703	0.2
69.07006	0.3
69.38348	2.1
79.05459	0.5
81.03393	0.3
81.06993	0.7
83.08588	0.3
85.02863	0.3
85.06522	0.2
86.53979	0.2
91.05426	0.7
93.06972	0.8
95.04910	0.2
95.08539	0.7
97.02811	0.2
105.03332	0.7
105.06949	0.5
107.04894	0.4
107.08533	0.5
109.06441	0.3
109.10083	0.4
115.05376	0.2
119.04885	0.3
119.08519	0.4
121.02792	0.2
121.06474	0.2
121.10088	0.3
122.03556	0.5
123.11635	0.4
128.06133	0.3
129.06934	0.4
131.04897	0.3
131.08496	0.6
133.02776	0.9
133.10056	0.3
134.03596	0.5
135.04326	0.4
137.02286	0.3
137.05981	1.1
143.08475	0.4
145.06415	0.4
145.10089	0.5
147.04327	0.2
147.11589	0.3
148.05106	0.3
149.05896	0.2
150.03050	0.7
151.03912	1.5
151.07500	0.3
153.06941	0.3
155.08553	0.3
157.06432	0.4
158.07109	0.2
159.04366	0.5
161.05948	0.5
163.03853	0.4
165.05492	2.3
171.04385	0.4
171.07997	0.6
173.05908	0.3
173.09589	0.5
175.07513	0.2
179.03371	0.3
181.06400	0.3
183.08005	0.4
185.05902	0.3
185.17905	0.2
187.03772	0.2
189.05420	0.5
189.09108	0.3
191.03340	0.3
191.10690	0.3
195.07954	0.4
198.06628	0.2
199.07510	0.4
200.08258	0.7
201.05356	0.4
201.09074	1.7
202.02513	0.3
203.03410	0.3
203.06981	1.6
205.04878	0.2
213.05408	0.4
213.09045	0.6
215.03192	0.2
215.06847	0.4
217.04750	0.2
217.08583	0.3
220.03702	0.2
225.05588	0.3
226.06078	0.4
227.07019	3.6
229.04936	2.5
229.08479	0.6
231.06482	1.0
235.07324	0.3
237.09113	0.3
239.06941	0.3
241.08488	0.6
243.06427	0.4
244.07231	0.5
245.08037	0.9
247.05914	0.8
251.06915	0.3
253.04956	0.3
259.11105	0.4
261.09097	0.5
262.08206	0.4
265.08508	0.5
267.06308	0.4
276.11377	0.3
278.26981	0.2
279.06442	0.8
279.10068	0.7
281.08197	0.3
282.08713	0.2
283.09479	0.3
285.07498	0.7
287.10516	0.6
289.08612	1.0
291.06528	0.2
291.10107	0.2
293.07986	0.9
293.11459	0.4
294.12375	0.3
295.05899	0.3
295.09326	0.2
296.06720	0.4
303.07016	0.2
303.10129	0.9
304.10745	0.4
305.08215	0.4
305.11716	0.6
307.06119	0.3
307.09555	3.1
308.06717	0.7
308.09955	0.3
309.07858	0.3
309.14865	0.2
310.08203	0.6
311.09097	0.5
312.06204	0.4
313.07053	0.9
315.10046	0.6
317.08090	1.1
318.08801	0.7
319.06024	0.3
319.09625	0.5
319.13205	0.4
320.06787	0.3
321.07465	2.1
321.11188	1.5
322.04715	0.3
322.08206	0.5
322.11987	0.5
323.05634	0.3
323.08987	1.1
324.06223	5.2
325.06723	0.6
325.10483	0.6
326.07703	0.3
327.08795	1.4
331.09470	0.4
332.10477	1.2
333.11191	0.8
335.05539	0.6
335.09085	10.7
336.06210	1.6
336.09720	1.0
337.07169	0.5
337.14362	0.6
339.08585	6.0
340.08832	0.4
343.09561	0.5
345.07489	1.2
346.08185	0.9
347.08990	0.5
347.12750	0.7
348.06238	0.3
349.06931	1.6
349.10773	1.4
350.07715	1.3
350.11502	1.0
351.08609	3.5
351.12289	0.4
353.09756	0.3
359.09042	0.9
360.09879	4.4
361.10532	1.3
362.07623	0.4
363.08594	11.8
364.09329	1.6
365.10049	0.8
365.13977	0.9
375.12234	6.3
376.12674	0.4
377.10245	2.4
378.10953	16.3
379.11371	1.1
393.13281	100.0
394.13641	4.0
396.11749	0.4
410.38348	0.3
411.14337	95.9
412.14676	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	411.1434
Annotation	Dehydrodalpanol
Peak:m/z	Relative Intensity
50.04337	0.1
50.11136	0.1
52.13292	0.1
64.08748	0.1
65.03923	0.2
67.05495	0.7
72.92298	0.1
77.22075	0.1
77.38135	0.1
79.05508	0.1
84.40645	0.1
90.54971	0.1
91.05487	0.2
93.03451	0.1
95.04996	0.1
96.55505	0.1
104.37980	0.1
105.03377	0.3
106.04131	0.1
107.04967	0.3
107.08576	0.1
109.06549	0.1
109.10203	0.1
117.03392	0.3
119.08598	0.1
121.06505	0.1
128.06291	0.2
129.07050	0.1
131.04956	0.1
131.08667	0.1
133.02899	0.3
134.03648	0.5
135.04431	0.1
137.05980	0.2
141.06969	0.2
142.07785	0.2
143.08560	0.2
145.02878	0.2
145.06401	0.2
147.04451	0.2
149.02382	0.1
149.06033	0.2
151.03873	1.0
155.08578	0.2
157.06522	0.1
159.04424	0.3
161.05975	0.2
163.03969	0.2
165.05533	0.1
167.08595	0.2
169.06541	0.1
170.07332	0.3
171.08047	0.2
173.06064	0.3
173.49178	0.1
175.03941	0.2
175.07495	0.2
177.05449	0.1
179.03406	0.2
183.08047	0.1
185.06023	0.2
186.54015	0.1
187.03960	0.2
189.01906	0.1
189.05444	0.2
191.03375	0.3
195.08067	0.3
197.06030	0.2
198.06772	0.5
199.03920	0.1
199.07558	0.3
200.08279	0.1
201.05434	0.5
201.09207	0.1
203.03313	0.2
203.06990	0.3
207.08104	0.1
211.07549	0.2
213.05525	0.9
213.09209	0.2
215.03526	0.1
215.06934	0.1
216.07718	0.1
217.04938	0.1
219.03029	0.2
220.03839	0.1
223.07489	0.2
225.05484	0.3
226.06267	0.4
227.07010	1.2
229.04942	1.1
229.08563	0.3
229.99117	0.1
233.04375	0.3
235.07491	0.2
237.05415	0.1
239.07028	0.2
243.06525	0.3
244.07289	0.3
245.07999	0.2
247.05829	1.0
250.06125	0.1
251.07051	0.4
253.05243	0.2
253.08505	0.1
255.06468	0.3
259.89624	0.1
261.09216	0.6
262.08258	0.5
263.07166	0.3
265.08664	0.2
267.06509	0.8
272.08276	0.1
275.07053	0.1
275.10666	0.4
276.11469	0.2
277.08554	0.2
279.06531	0.9
279.10178	0.6
280.07214	0.3
280.10779	0.1
281.07974	0.2
283.06152	0.3
285.09097	0.1
287.10733	0.5
289.08582	0.8
291.06735	0.3
291.10220	0.1
292.07205	0.2
293.08084	0.7
293.11386	0.2
294.08820	0.2
294.12372	0.2
295.06067	0.3
295.09601	0.1
296.06863	0.7
297.07520	0.2
298.04886	0.1
301.08841	0.1
303.06918	0.2
303.10123	1.3
304.07660	0.1
304.10965	0.4
305.11691	0.4
306.05289	0.1
307.06079	0.4
307.09686	1.5
308.06897	0.9
308.10040	0.2
309.07462	0.2
310.08292	0.2
311.05499	0.2
311.09067	0.2
313.07217	0.4
315.10208	0.4
317.08109	0.5
318.08755	0.4
319.06113	0.2
319.09677	0.2
319.13242	0.2
320.06848	0.2
321.07556	1.1
321.11279	1.2
322.04929	0.2
322.08289	0.4
322.11804	0.3
323.05502	0.5
323.09131	1.5
324.06229	10.2
325.06442	0.8
326.08066	0.3
327.08575	0.4
331.09622	0.6
332.07056	0.1
332.10425	0.7
333.07416	0.2
333.11093	0.6
334.08279	0.2
335.05450	0.4
335.09073	4.3
335.13007	0.2
336.06281	2.3
336.09909	0.6
337.07001	0.9
337.10574	0.2
338.07745	0.4
339.08597	13.7
340.09106	0.6
342.08636	0.2
343.09610	1.1
345.07538	0.6
346.08322	0.4
347.09097	0.2
347.12973	0.3
348.06265	0.2
349.07031	1.0
349.10791	0.6
350.07785	1.4
350.11557	0.8
351.08572	3.9
351.12320	0.6
352.09042	0.4
353.10291	0.5
357.09933	0.2
359.08969	1.3
360.09851	5.6
361.10538	0.8
362.07739	0.3
363.08603	8.0
364.09253	1.9
365.10098	1.9
365.14059	0.6
369.09665	0.4
375.12241	9.2
376.12680	0.5
377.10205	1.4
378.10956	17.7
379.11273	1.0
381.09534	0.3
385.95462	0.1
393.13278	41.7
394.13611	2.4
396.11859	1.4
411.14325	100.0
412.14691	4.9
412.20322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.6
56.96548	11.7
61.02905	3.1
69.03405	8.0
69.07037	3.3
69.09978	2.5
70.06591	15.4
71.04962	3.8
71.62544	3.6
72.08153	42.2
72.51436	3.5
79.05468	4.0
81.03381	6.5
84.04468	5.6
84.08141	15.9
84.96020	7.1
85.02898	16.2
86.06028	5.7
86.09705	26.4
87.04445	2.9
91.05442	7.1
95.08583	3.5
97.02854	5.4
98.06030	6.5
98.09685	4.1
98.97575	31.7
99.04458	3.0
105.07032	15.4
107.04947	7.6
109.02877	3.2
109.06431	2.9
109.17619	2.9
110.02401	14.6
110.97547	10.9
115.05403	5.9
115.08717	4.3
116.98611	18.6
119.04939	22.9
120.08080	3.8
124.07577	2.9
127.03857	5.9
128.98584	26.2
129.10216	4.3
131.00153	3.9
133.06415	12.3
134.99683	16.1
136.06151	4.0
136.07523	2.9
145.02762	5.8
145.06366	3.0
146.99664	35.9
147.03221	4.9
147.04390	85.3
149.01190	5.2
149.75745	3.3
150.62048	4.1
152.07028	12.0
161.01155	4.7
161.05952	26.9
163.03894	26.8
165.00616	4.5
165.06900	2.6
167.06938	4.3
169.09685	9.1
170.99583	6.2
177.05298	5.3
189.00642	7.0
193.08580	14.6
201.00618	6.5
203.40121	3.0
218.11673	3.4
219.01793	29.9
222.01863	3.1
235.14380	8.3
237.02805	100.0
242.03352	2.8
249.07538	2.9
250.10695	3.1
252.02805	3.6
255.03810	10.5
260.04355	6.6
265.17609	3.1
270.03989	7.9
378.06119	4.9
390.19327	2.8
393.08301	7.6
396.07312	6.1
411.10211	96.9
411.16211	3.9
411.20679	13.8
412.10818	4.8
429.10956	13.4
430.02689	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00473	0.9
60.10103	1.0
69.03394	1.2
69.32994	7.3
69.33423	3.7
70.06588	6.3
84.08149	2.7
85.02911	2.7
85.21478	0.9
98.09678	1.1
98.97559	1.6
116.07082	12.5
119.01870	1.9
130.08687	1.7
133.03436	1.8
138.05518	1.5
161.02939	2.0
171.05074	3.4
173.03101	1.2
185.02950	1.8
207.07248	1.0
217.96144	1.0
245.05132	6.1
249.08339	1.8
261.08087	1.1
273.08115	1.1
305.07306	1.1
318.94110	1.0
351.11346	9.5
365.09207	3.1
411.08990	100.0
411.20575	3.6
412.09174	4.2
412.27213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3824
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.29519	2.9
53.03955	3.1
55.05503	10.9
57.07073	6.7
61.49776	3.4
67.05495	22.6
69.07068	19.0
69.64963	27.7
79.05476	7.8
81.07049	60.9
82.07371	3.1
83.08602	9.3
84.57520	3.5
89.06000	6.5
91.05441	5.8
93.07029	24.8
95.08596	100.0
96.08920	5.4
97.10166	6.9
105.07031	15.4
107.08564	36.1
109.10139	81.9
111.11700	3.7
119.08588	19.1
119.16283	3.2
121.10128	45.3
123.11703	32.0
127.03883	3.5
131.08562	6.0
133.10109	18.6
135.11702	22.9
137.13231	32.9
145.10126	11.0
147.11691	14.4
149.13249	27.2
159.11670	9.3
161.13210	11.4
163.14806	22.6
173.13326	5.2
175.14825	9.7
177.16377	8.4
178.82483	3.2
185.13251	4.0
187.14874	10.2
189.16370	13.2
191.17914	23.4
192.99185	3.6
199.14865	4.3
201.16353	6.0
203.17906	13.2
205.19495	12.5
215.17926	3.9
217.19511	12.0
219.21060	12.3
228.73296	3.6
229.19502	5.8
231.21077	9.7
243.20970	4.4
245.22667	5.6
255.21048	5.1
257.22711	5.5
271.24118	5.7
313.28522	3.8
372.50427	3.6
391.33698	8.2
409.33530	6.2
409.38861	42.7
420.44571	3.6
431.64322	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	409.3826
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05506	6.7
56.03775	0.6
57.07072	7.0
67.05503	17.8
69.07069	12.9
71.30087	1.7
79.05486	6.5
81.07056	60.2
83.08614	5.0
91.05470	3.3
93.07037	13.6
93.21670	0.8
95.08604	100.0
96.06471	0.7
96.08931	2.3
97.10165	2.4
99.60120	0.8
105.07024	10.0
107.08590	17.2
109.10148	26.6
111.11711	2.2
119.08582	8.9
121.10143	13.7
123.11711	15.4
125.13255	1.0
125.47002	0.7
131.08563	2.2
133.10132	8.8
135.11684	12.6
137.13251	45.2
138.13582	1.2
145.10153	3.4
147.11696	7.0
149.13268	9.2
151.14833	2.3
159.11702	2.7
161.13248	4.1
163.14844	5.6
171.11499	0.8
173.13257	2.5
175.14771	4.3
177.16434	3.0
179.18002	1.4
187.14845	2.1
189.16376	4.7
191.17987	3.7
193.19513	1.7
201.16423	1.9
203.17929	4.2
205.19527	0.8
215.17905	4.9
217.19566	3.3
229.19443	4.1
231.21161	3.4
243.21220	1.0
254.04640	0.8
257.22717	3.6
259.24213	5.4
271.24216	5.1
285.25833	2.5
301.36325	0.9
409.38336	18.1
410.38730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3824
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05510	10.6
57.07065	6.4
59.73148	1.4
61.09822	1.2
67.05170	1.7
67.05499	24.2
69.07062	26.7
71.08601	1.3
71.30677	3.5
79.05479	6.8
79.81023	1.3
81.07050	61.5
82.07389	2.6
83.08616	8.6
83.68318	1.3
89.32909	1.4
91.05470	4.9
93.07035	17.3
95.08601	100.0
96.08922	1.8
97.09615	1.4
97.10139	7.4
105.07026	14.7
107.08588	30.6
109.10149	59.0
111.11708	7.7
119.08565	15.4
121.10139	31.6
123.11697	26.5
125.13248	2.6
131.08487	1.7
133.10138	13.9
135.11684	18.2
137.13254	33.2
145.10115	2.8
147.11687	13.3
149.03490	1.5
149.13248	23.2
151.14789	3.5
159.11702	2.9
161.13255	10.2
163.14772	8.3
165.16353	1.5
173.13258	3.1
175.14816	7.2
177.16393	23.7
179.17944	4.9
183.03836	1.4
187.14845	3.8
189.16451	5.3
191.17909	14.9
201.16333	1.9
203.17940	16.7
205.19510	20.7
217.19464	14.8
219.21049	3.7
229.19484	3.3
231.21077	20.8
243.21100	5.7
245.22650	9.0
257.22650	8.4
259.24194	16.2
271.24249	13.5
273.25711	2.1
285.25693	6.9
297.09061	1.4
299.27289	3.4
339.30414	2.6
353.31625	1.7
409.38293	81.1
410.38647	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	409.3825
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
51.57780	1.0
53.03929	1.7
55.05502	12.2
57.07063	7.5
67.05499	17.4
69.07059	35.0
70.85947	2.6
71.08621	2.0
79.05499	6.6
81.07047	58.2
82.07351	1.4
83.08607	16.0
91.05475	7.2
93.07032	18.2
95.08592	56.1
97.10163	9.9
105.07014	14.9
107.08578	27.4
109.10146	41.6
111.11704	6.3
117.07042	1.5
119.08559	17.7
121.10136	23.4
123.11696	21.8
125.13279	1.4
131.08553	4.3
133.10107	16.8
135.11661	18.8
137.13249	17.6
141.72385	1.1
143.08531	1.5
145.10100	8.5
147.11662	17.1
149.13245	20.2
151.14822	3.7
157.10107	2.0
159.11688	12.8
161.13239	12.8
163.14807	12.9
165.16309	2.0
171.11671	2.6
173.13255	9.0
175.14813	11.2
176.15073	1.8
177.16379	9.3
179.17995	2.2
187.14874	7.5
189.16368	10.1
191.17938	7.2
199.14844	1.9
201.16347	5.8
203.17940	11.7
205.19452	6.6
213.16415	3.4
215.17921	7.8
217.19513	9.1
219.21109	1.6
227.17772	1.3
229.19458	7.0
231.20966	6.4
233.22618	1.1
241.19554	1.4
243.21100	4.2
245.22653	3.4
249.61571	1.2
255.21133	1.6
257.22595	8.4
259.24176	6.8
269.22672	1.2
271.24258	6.7
273.25827	1.2
283.24246	1.6
285.25751	6.8
297.25735	2.2
299.27344	3.5
300.45514	1.2
303.63635	1.1
311.27307	1.7
325.28909	3.1
327.30331	6.7
339.30511	3.9
353.32025	3.6
367.33588	2.0
409.38251	100.0
410.38571	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	409.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54677	1.7
55.05503	22.0
55.81396	1.9
57.07086	9.5
67.05502	27.7
69.07064	60.3
70.03500	7.7
71.08619	2.9
72.87025	2.1
73.00944	1.8
79.05489	15.0
81.07053	99.0
83.08611	22.0
91.05466	10.3
93.07038	34.0
95.04976	3.0
95.08599	89.2
97.10168	10.3
103.59541	1.7
105.07021	25.9
107.08587	43.6
109.10152	66.3
110.07185	2.1
111.11722	5.7
117.06975	2.8
119.08571	30.6
121.10133	40.5
123.08105	2.9
123.11703	39.4
123.65756	1.7
124.12037	1.9
128.62012	1.9
131.08545	6.8
133.10132	21.9
135.11674	29.6
137.13225	16.4
140.64053	1.7
143.08562	1.9
144.09381	2.0
145.10106	14.9
147.11684	22.9
149.13268	17.3
151.14845	3.6
157.10115	2.5
159.11682	18.1
161.13231	21.4
163.14819	12.0
171.11676	3.4
173.13249	18.1
175.14876	14.1
177.16399	12.8
187.14859	11.5
189.16394	12.9
191.17938	9.1
201.16426	7.3
203.17946	11.0
205.19434	3.0
213.16333	3.4
215.17918	16.2
217.19510	9.6
227.18143	2.3
229.19493	19.1
231.21130	7.9
243.21170	3.8
245.22609	3.0
255.21080	2.9
257.22672	7.3
259.24255	6.3
271.23987	9.0
285.25812	8.3
299.27426	3.0
313.28851	3.1
325.28784	3.5
327.30524	5.1
339.30817	2.5
348.95914	2.2
353.31909	2.9
409.38284	100.0
410.38690	7.1
413.71902	2.0
432.07932	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.15171	1.3
55.05507	7.9
57.07071	3.2
57.72998	1.3
62.08023	1.8
62.83873	1.2
67.05490	11.0
69.07063	13.9
69.61662	11.2
71.08598	1.5
79.05491	11.4
81.07050	32.9
83.08622	5.9
85.02888	1.8
91.05456	10.3
93.07042	26.1
95.04952	3.1
95.08601	33.0
96.08945	1.4
97.06547	2.9
97.10181	2.3
105.07021	19.4
107.04960	2.4
107.08587	33.0
109.06513	2.3
109.10152	14.3
111.08065	2.0
115.73745	1.4
117.07020	3.0
119.08577	23.4
121.10138	21.7
123.04425	16.1
123.08082	2.1
123.11727	6.6
129.07008	3.2
131.08553	9.8
133.10124	20.5
135.11702	13.2
137.09651	1.5
137.13258	7.5
141.07037	1.6
142.07841	1.5
143.08569	6.4
145.10133	14.3
147.04451	2.4
147.11682	20.4
149.13235	30.6
151.07507	1.7
155.08598	2.4
157.10106	9.4
159.11710	12.1
161.05904	1.9
161.13272	7.4
163.14815	37.9
169.10208	2.5
171.11716	6.1
173.09601	1.9
173.13226	9.8
175.14789	8.7
176.99466	1.4
177.16328	8.4
179.14453	2.6
183.11684	2.3
185.13235	6.3
187.14798	7.1
189.16406	8.5
191.18016	5.5
197.13239	2.2
199.14854	4.9
201.09093	3.9
201.16452	6.4
203.17950	14.4
205.12270	2.1
205.15804	1.7
213.16417	5.6
215.17938	10.2
217.19569	3.0
219.13896	3.0
219.17308	1.7
221.15381	2.3
227.17972	6.2
228.18750	1.6
229.19519	9.2
231.21109	2.4
239.17952	2.3
241.19498	10.9
243.21136	5.7
253.19608	2.8
255.21045	19.5
257.15250	1.7
257.22699	4.5
259.20703	5.1
267.21118	2.9
269.22617	12.6
285.07678	2.2
285.22128	15.1
295.24237	1.9
335.12955	1.7
335.26981	1.6
338.04352	1.7
351.12302	3.0
353.06577	5.3
391.29242	1.5
391.34009	7.2
409.12741	4.4
409.19888	3.6
409.34747	100.0
410.35126	6.1
417.06598	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	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	5.2
57.07056	3.8
67.05492	8.5
69.07065	12.2
69.27439	1.5
69.87986	3.0
69.88387	8.8
70.44341	2.0
71.78792	1.4
79.05476	8.4
81.07048	24.1
82.64123	1.6
83.08607	4.6
83.66063	1.5
91.05467	6.5
92.46664	1.7
93.07038	18.2
95.08594	31.3
97.10181	2.4
105.07021	12.6
107.08585	29.6
109.10138	14.1
117.06980	1.9
119.08552	19.3
121.10146	20.7
123.11689	5.1
129.07021	2.5
131.08537	5.8
133.10124	15.4
135.11668	12.4
137.13213	7.8
143.08530	4.7
145.10088	12.8
147.11679	16.2
149.13232	26.3
157.10110	6.4
159.11702	11.5
161.13220	7.1
163.14809	33.0
171.11700	7.6
173.13243	8.6
175.14796	5.0
177.16370	7.4
179.14272	2.4
185.13202	4.9
187.14751	9.6
189.16371	7.9
191.18013	2.4
199.14864	4.1
201.16356	5.2
203.17934	11.4
205.15872	2.5
213.16330	4.3
215.17961	10.3
217.19379	2.8
227.17932	7.0
229.19510	8.9
241.19394	9.6
243.21008	5.1
247.14355	1.5
253.19638	2.0
255.21072	17.1
257.22614	3.0
267.20966	2.3
269.22516	9.1
285.22058	15.3
321.25870	1.7
338.61972	1.7
373.00311	1.7
381.12500	1.6
391.33652	10.9
409.18103	2.0
409.34616	100.0
410.35010	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
55.01866	3.4
55.05500	9.6
57.03424	3.1
67.05501	23.4
68.16264	3.1
69.07073	20.9
71.36005	6.0
79.05497	28.5
81.07053	57.9
83.08612	7.1
91.05475	18.8
93.07038	38.0
95.04936	8.6
95.08603	100.0
97.10172	6.8
99.08092	18.2
105.07026	59.4
107.04938	3.7
107.08586	66.4
109.06498	3.2
109.10152	50.6
111.08072	11.2
111.11698	2.8
117.06998	7.1
118.70530	3.1
119.08575	54.3
121.09310	4.0
121.10132	41.0
123.04417	44.5
123.08018	3.7
123.11681	11.5
125.09645	3.0
131.08575	17.0
133.10114	34.0
135.11691	26.5
137.13234	7.6
139.11185	5.6
142.07767	3.4
143.08566	9.8
145.10126	30.2
147.04475	4.2
147.11673	40.5
149.13242	36.2
151.07584	3.5
155.08577	3.6
157.10094	13.5
159.11667	21.1
161.13220	24.1
163.14810	24.7
171.11690	9.1
173.13254	11.2
175.14845	21.1
177.16422	17.2
183.08110	5.1
185.13316	6.7
187.14832	35.1
189.16370	19.5
191.17950	9.2
199.14828	6.2
200.10704	5.3
201.09097	15.5
201.16310	14.8
203.17961	28.0
204.18443	3.7
205.15837	12.3
213.09219	4.7
213.16354	14.8
215.18111	6.8
217.19577	4.2
219.10104	5.3
226.88591	3.5
227.17903	7.2
229.19518	6.9
231.10120	3.3
231.14906	11.5
231.17342	3.9
231.20952	4.0
233.18909	3.1
241.19518	9.2
243.21049	4.9
247.14430	3.8
252.99983	4.5
254.00232	10.2
254.99695	5.5
255.20999	12.1
257.15393	11.8
267.06543	13.6
267.21198	4.1
269.22607	4.4
296.59665	2.9
297.07584	39.7
298.07947	4.6
311.09088	7.2
311.21136	21.0
313.25198	6.4
339.26941	3.0
351.30341	8.7
353.13910	4.3
369.28635	3.0
391.19467	3.9
391.33554	10.0
409.07410	4.4
409.12653	10.3
409.19604	9.2
409.25412	3.4
409.29721	6.2
409.34625	71.0
410.06741	4.2
410.35147	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	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08918	1.8
55.01863	2.5
55.05499	11.5
57.07082	8.2
58.67469	1.4
67.05499	22.4
69.07064	24.2
70.05871	9.4
71.04992	2.5
71.55402	1.5
79.05488	17.9
81.07047	64.7
83.04938	2.1
83.08599	11.6
84.26891	1.8
85.06540	30.7
85.07054	2.5
88.80264	1.4
91.05462	20.8
93.07031	40.2
95.04963	13.5
95.08593	100.0
96.08939	2.7
97.06488	2.7
97.10141	7.5
97.39521	1.5
98.20779	1.6
105.07020	55.9
106.07346	2.5
107.08587	46.5
107.09287	3.2
108.08884	1.9
109.06511	5.8
109.10143	45.9
111.11707	3.8
117.07026	5.4
119.08566	54.2
121.06529	5.8
121.10125	44.3
123.08052	7.1
123.11694	28.2
125.13249	2.9
129.06990	4.3
130.07773	1.8
131.08521	15.6
133.10115	38.9
133.11079	3.0
134.10480	2.3
135.08040	2.3
135.11670	31.1
137.09631	2.6
137.13240	28.0
142.07787	3.7
143.08524	7.7
145.10097	31.0
147.08046	3.6
147.11674	40.3
149.09601	2.1
149.13240	24.1
151.07533	3.7
151.11183	2.4
151.14798	2.5
155.08510	2.4
156.09314	3.2
157.10182	7.8
158.10771	1.6
159.11664	23.2
161.09596	3.0
161.13232	25.9
163.14824	13.2
165.09102	7.3
165.12758	2.1
169.10110	5.1
171.11679	10.5
173.13226	15.1
175.11227	4.7
175.14828	16.0
177.12781	2.1
177.16406	12.7
183.11661	3.3
185.13255	6.2
187.14787	19.9
189.16370	14.6
191.14293	2.5
191.17937	34.9
193.15912	6.5
194.54115	1.6
197.13263	3.2
199.14822	6.9
201.12726	3.0
201.16353	20.3
203.14250	10.7
203.17960	24.2
205.15839	10.5
205.19502	4.4
207.13919	2.6
211.14865	2.2
213.16393	5.1
215.17996	5.2
217.15881	3.0
217.19463	16.0
219.17455	4.9
219.21036	2.2
221.15311	15.7
225.16353	2.7
227.17903	3.6
229.15810	3.1
229.19513	5.3
231.17409	2.7
231.21007	13.5
234.16145	1.9
239.17772	2.9
241.19499	4.1
243.21138	4.1
245.22636	3.3
253.19424	2.9
255.21126	4.4
257.22647	3.7
259.24152	10.4
267.21045	2.6
269.22867	1.7
271.21313	1.7
271.24121	7.8
273.22198	3.9
285.22241	2.2
285.25690	4.0
286.19125	2.6
295.23920	1.6
325.28790	2.2
335.27057	1.7
351.07993	2.2
391.33630	19.0
409.26590	10.2
409.34558	57.8
409.38556	19.3
410.34897	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02472	3.5
55.01858	11.3
55.05509	23.0
57.03441	3.9
57.07072	32.2
67.05508	8.2
69.07060	50.5
70.22392	17.1
71.08632	23.0
73.35359	3.7
75.67091	4.0
79.05490	7.8
79.80610	4.2
81.07055	23.3
82.21078	3.3
83.08620	30.0
84.52523	3.0
85.10177	12.9
91.05476	4.9
93.07050	13.1
95.08601	23.5
97.10153	22.9
97.24586	3.4
99.04451	7.0
105.07044	7.8
107.08609	12.0
109.10131	13.8
111.11726	15.6
117.36858	3.9
119.08570	8.6
121.06482	4.9
121.10155	11.0
123.08067	3.3
123.11723	8.3
125.02331	28.1
125.13283	4.7
127.03905	32.2
131.08604	6.7
133.10120	7.2
135.11693	4.5
139.03850	6.7
139.07539	10.2
145.10062	6.1
147.11688	6.2
149.09608	9.5
159.11682	9.0
161.13277	7.2
163.11235	4.1
163.14838	5.3
169.08615	14.0
173.13293	4.6
177.09128	11.2
183.10194	8.6
195.10185	24.5
197.11696	3.9
236.51669	4.4
250.35500	3.6
251.16498	6.2
253.17926	5.2
257.18896	3.6
265.18018	6.9
303.30353	6.5
317.28601	4.5
345.31525	7.4
347.32974	3.7
355.29877	12.5
373.30878	25.4
391.32086	100.0
409.34637	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	409.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01868	8.0
55.05262	0.8
55.05510	13.4
57.03433	4.7
57.06819	1.0
57.07076	13.1
67.05491	2.1
69.07066	23.3
71.08632	9.9
71.14806	0.5
79.05467	0.9
81.03416	9.5
81.07063	3.7
83.08617	18.4
85.10188	5.5
91.05451	0.8
93.07072	1.4
95.08591	4.8
97.02912	1.1
97.10168	12.2
99.04449	1.2
99.11711	0.9
105.06982	0.8
107.08620	1.3
109.02876	21.2
109.10173	5.5
111.11714	5.5
113.05973	1.0
115.03931	8.9
121.10123	1.3
123.04432	1.8
123.08063	1.1
123.11687	2.3
125.13270	3.1
127.03912	100.0
128.04254	1.6
137.13245	1.1
139.14801	1.1
141.05438	4.9
145.04955	1.6
149.09706	1.4
151.11227	1.6
151.14876	0.7
153.05539	0.7
155.07060	2.6
165.09196	0.8
168.06361	0.6
169.02667	0.7
169.08594	5.4
176.27007	0.6
176.99098	0.6
177.09146	0.7
183.10170	12.3
183.11769	0.9
195.10150	4.6
197.11707	6.4
209.11723	3.2
211.13261	4.3
223.13298	2.2
225.14893	3.8
229.19797	0.9
237.14841	2.3
239.16374	4.2
251.16252	2.9
253.17984	7.2
265.17972	4.8
267.19531	3.6
279.19537	3.5
281.21259	3.6
293.21210	2.3
295.22647	3.2
307.22607	2.1
309.24316	2.5
310.24310	0.6
321.24304	2.0
335.25775	3.0
359.45938	0.6
391.32019	39.9
392.32364	2.5
409.33105	17.1
410.33521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
53.96953	1.5
55.01857	2.4
55.05502	15.1
57.07061	4.8
59.04989	1.8
59.41916	1.8
67.05499	15.2
69.03409	5.1
69.07061	10.2
69.98225	4.0
69.98627	9.4
77.03905	2.6
78.31284	2.4
79.05485	19.2
81.03436	1.9
81.07054	33.6
83.04973	4.0
83.08603	4.0
85.06534	2.3
91.05475	32.9
93.07040	45.6
95.04963	43.3
95.08602	27.2
97.06500	7.5
97.10147	2.5
103.05487	2.9
105.07020	100.0
106.07336	11.3
107.08576	29.1
109.06511	11.9
109.10165	13.9
111.04384	2.6
111.08073	3.8
115.05511	2.5
117.07009	10.8
119.04932	1.8
119.08574	49.7
121.06478	16.7
121.10136	18.3
123.08058	12.1
123.11677	3.2
128.06158	4.1
129.06987	8.6
130.07762	5.3
131.08554	20.6
133.06424	3.6
133.10127	21.7
135.08060	10.9
135.10706	1.9
135.11705	7.3
137.05986	2.1
137.09583	7.0
141.06956	3.5
142.07813	11.8
143.08536	18.8
144.09332	3.3
145.06499	2.8
145.10110	36.5
147.08029	11.6
147.11679	32.1
149.09592	7.5
149.13210	2.9
151.07552	13.3
151.11151	1.8
154.07774	2.6
155.08517	8.2
156.09329	4.0
157.10080	23.0
158.10812	2.5
159.08020	5.2
159.11697	15.9
161.09605	7.9
161.13243	5.4
163.11214	4.0
163.14885	2.9
165.09091	25.5
167.08525	2.9
168.09315	5.2
169.10121	9.0
170.10844	3.3
171.11699	11.2
173.09604	3.5
173.13248	8.5
175.11168	22.3
177.09111	2.5
181.10144	3.3
182.10826	3.6
183.10118	6.1
183.11670	10.8
184.10498	5.2
185.09619	4.1
185.13245	6.7
187.11177	3.8
187.14795	3.1
189.12709	6.0
189.16333	3.4
193.10106	3.0
195.11702	6.1
197.13252	5.1
199.14861	3.1
201.12823	4.3
203.14281	7.0
207.11844	2.7
207.13844	5.7
209.13335	3.5
209.15329	4.1
210.14027	2.2
211.14760	4.0
213.12843	2.1
217.15906	2.2
219.13736	2.7
221.13400	3.6
221.15352	49.8
223.14789	3.2
225.16386	2.3
227.14372	2.4
229.15799	5.6
231.13651	2.7
233.15298	4.1
234.16136	11.6
235.14832	3.3
253.15829	3.2
286.19257	2.0
287.19965	6.8
299.19955	2.9
300.20865	3.9
313.21909	2.2
329.21158	4.3
391.26096	6.3
407.11035	2.6
408.11810	2.0
409.12946	34.8
409.27054	38.5
409.34784	4.7
410.13458	18.0
427.13727	4.2
430.05850	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01858	4.5
55.05503	17.5
57.07065	8.2
59.04986	4.5
59.22274	1.8
65.03938	2.1
67.05505	28.9
69.03426	9.2
69.07070	14.2
69.56821	16.4
71.04984	3.3
79.05486	26.7
81.07051	48.5
83.04968	7.3
83.08609	5.9
85.06565	4.7
87.74382	1.8
91.05470	45.1
93.07034	58.6
95.04960	56.7
95.08035	3.9
95.08596	43.3
97.06541	12.8
97.10127	2.1
98.21501	2.7
103.05458	3.4
105.04607	2.2
105.07023	100.0
106.07296	2.2
107.04932	2.4
107.08590	37.0
109.06522	14.6
109.10146	29.2
111.08089	3.9
113.55323	2.0
115.05449	4.4
116.06293	1.8
117.06965	15.4
119.04913	3.0
119.08570	74.4
121.06495	24.0
121.10132	30.9
123.08060	22.4
123.11705	3.8
125.05985	2.7
127.11317	1.8
128.06201	5.7
129.06982	12.0
130.07782	3.9
131.08556	31.9
133.06477	7.0
133.10120	26.6
135.08020	16.6
135.11699	8.2
137.05905	2.1
137.09631	12.2
137.13274	3.0
141.06976	4.9
142.07761	19.4
143.08553	24.4
144.09305	3.4
145.06444	3.4
145.10110	54.3
146.10878	2.8
147.08054	20.5
147.11676	42.5
149.09599	12.6
149.13268	6.2
151.07541	28.0
153.06984	3.9
153.09041	3.6
154.07837	2.0
155.08521	12.3
156.09328	7.7
157.10120	31.7
158.10843	4.0
158.48315	2.2
159.08057	8.5
159.11674	24.1
159.14076	2.1
160.08780	2.2
161.09598	10.0
161.13211	10.2
163.07457	1.9
163.11147	9.1
163.14838	2.6
165.09099	33.3
166.09309	2.3
167.08551	3.0
168.09320	3.7
169.10112	17.1
170.10904	3.8
171.11697	19.2
173.09694	7.3
173.13286	14.4
175.11157	24.1
175.14806	6.1
177.09097	4.0
179.08641	4.7
181.10091	7.9
181.12251	5.3
183.11687	18.6
184.12302	2.5
185.13252	9.0
187.11221	5.4
187.14809	12.3
189.12744	7.8
189.16333	4.2
191.14319	5.0
193.10094	4.1
194.10857	3.5
195.11749	5.5
196.12572	2.4
197.13286	4.6
199.11105	4.0
199.14862	3.7
201.12746	9.7
201.16365	4.9
203.14305	15.9
203.18024	3.2
205.15807	3.0
207.11945	3.5
207.13826	12.6
209.13269	7.1
209.15215	3.7
211.14833	8.7
213.12814	3.8
213.16374	3.8
215.14351	4.6
219.13712	2.7
219.17426	2.9
221.15340	83.0
222.15561	3.5
223.14864	4.9
225.16209	3.9
227.14240	2.6
229.15875	8.0
231.13762	3.6
233.15372	3.9
234.16092	14.3
235.14828	3.3
241.15883	3.3
246.71632	2.2
253.15985	2.8
253.19344	2.5
255.21217	2.1
255.45354	2.2
286.19110	4.6
287.20038	11.8
291.17169	2.4
300.20880	7.0
309.21939	2.0
317.21304	3.1
329.21106	7.0
373.25183	2.4
391.26318	8.6
391.33759	3.4
409.12875	2.7
409.27304	87.4
409.34622	28.0
410.27600	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01852	2.7
55.05505	24.1
57.07073	9.8
59.04983	1.9
62.96281	1.6
65.03931	2.3
67.05164	2.5
67.05495	31.0
69.03423	5.1
69.06715	2.8
69.07061	28.1
69.72147	12.5
71.04992	2.0
71.08620	2.2
79.05481	22.7
81.03396	1.7
81.07051	80.6
83.04974	2.9
83.08614	9.2
85.06524	3.7
91.05472	28.5
93.07034	49.7
95.04958	40.7
95.08595	100.0
97.06517	6.3
97.10162	6.1
103.05428	2.5
105.07022	85.3
107.04939	2.3
107.07857	2.3
107.08586	44.7
109.06497	8.8
109.10147	45.2
111.08069	2.6
111.11702	4.9
115.05492	2.1
117.07011	10.5
119.08567	61.9
121.06490	11.3
121.10135	41.7
121.28382	1.6
123.08051	13.7
123.11681	23.0
125.13261	4.4
128.06201	3.1
129.06992	9.8
130.07773	5.3
131.08549	23.0
133.06476	3.9
133.10117	25.0
135.08044	12.2
135.11682	19.0
137.09592	7.0
137.13243	32.0
141.06976	3.4
142.07718	9.8
143.08551	14.6
144.09335	2.8
145.06471	3.3
145.10107	35.4
147.08054	12.1
147.11667	42.9
149.09639	8.5
149.13235	20.9
151.07530	14.8
151.14764	2.9
153.09062	2.5
155.08517	4.9
156.09331	4.6
157.10107	18.8
158.10823	2.2
159.08012	2.9
159.11655	17.7
161.09595	4.8
161.13217	13.9
163.11162	3.4
163.14812	8.7
165.09106	22.7
166.07713	1.6
169.10051	8.6
171.11678	9.0
173.09637	3.0
173.13229	11.8
175.11172	24.7
175.14775	8.5
177.09138	3.8
177.16393	11.4
178.09961	1.8
179.17979	2.4
181.10097	4.2
181.12236	2.2
182.10866	2.3
183.11703	8.7
185.09593	2.8
185.13271	5.1
187.11211	3.4
187.14731	8.2
189.12718	3.9
189.16399	4.1
191.14297	2.7
191.17920	8.7
195.11638	5.0
196.12471	2.0
197.11592	2.6
197.13245	3.9
201.12741	6.8
201.16408	6.5
203.14272	12.1
203.17886	9.4
205.15851	3.5
205.19536	3.5
207.11795	2.0
207.13765	5.0
209.13402	1.9
209.15343	2.1
211.11212	2.3
211.14870	6.4
215.14291	2.6
215.17867	3.1
217.19565	6.5
218.10922	1.8
219.13777	3.5
221.15340	59.6
225.12883	2.0
227.14203	2.4
227.18007	2.7
229.15916	4.6
229.19403	2.0
231.13800	3.1
231.21069	20.0
233.15393	5.1
234.16150	15.7
235.62955	2.0
243.20995	2.9
245.22699	4.0
251.11021	1.7
255.20944	2.0
257.22498	8.5
259.21707	2.1
259.24213	14.4
266.93549	2.4
269.18988	1.7
271.24139	12.9
285.25693	6.9
286.19275	4.8
287.20004	5.5
299.27496	2.2
300.20877	5.1
313.28882	3.0
329.21133	6.2
391.26248	6.6
391.33267	2.2
409.27118	42.7
409.34338	6.9
409.38647	50.9
410.27588	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45994	3.5
53.03939	4.3
55.05503	23.5
55.91822	2.9
57.07060	8.1
59.04987	4.7
59.13247	3.4
65.03964	5.2
67.05506	35.8
69.03440	8.2
69.07070	20.8
70.10528	10.2
72.98993	3.0
79.05499	23.4
79.05882	2.8
81.03384	3.1
81.07043	43.4
83.04974	7.8
83.08607	9.4
85.06544	6.6
91.05476	44.4
93.07034	56.5
95.04955	54.7
95.08597	43.5
97.06509	10.5
97.10192	5.3
98.21435	4.2
105.07023	100.0
106.07359	3.7
107.08603	43.8
109.06516	15.1
109.10134	23.0
109.71789	3.5
111.08067	4.9
117.07023	15.6
119.04962	4.6
119.08572	73.2
121.06461	17.6
121.10136	29.6
123.08062	16.2
123.11733	8.5
126.93252	3.1
129.07008	8.7
131.08539	27.2
133.06483	7.0
133.10109	26.3
135.08092	10.4
135.11685	15.7
137.05968	5.4
137.09621	9.0
137.13203	4.1
142.07806	13.7
143.08545	19.6
145.06468	5.2
145.10115	46.5
147.08066	13.2
147.11693	50.6
148.08730	3.4
149.09622	9.9
149.13257	13.2
151.07487	19.8
153.09096	5.2
155.08560	5.1
156.09331	7.9
157.10107	25.2
159.08101	5.7
159.11678	19.9
161.09618	6.0
161.13249	12.8
163.11143	7.2
163.14848	7.1
165.09125	25.3
169.10161	8.3
171.11697	11.6
173.09653	7.3
173.13235	12.5
175.11151	25.5
175.14874	7.9
177.09073	6.6
177.16447	6.7
181.10059	7.2
183.11725	10.5
185.13235	7.8
187.11198	6.1
187.14830	9.3
189.12782	6.0
189.16365	5.1
191.17943	6.5
193.09946	4.2
197.13264	5.9
199.14758	4.7
201.12749	10.3
201.16463	8.8
203.14325	15.0
203.18037	5.9
205.15819	5.0
206.47823	3.3
207.13779	7.5
209.13342	6.7
211.14867	6.2
213.16324	5.5
221.13396	3.7
221.15344	65.9
223.14793	4.2
229.15799	5.7
234.16118	13.9
255.21109	4.5
286.19257	6.1
287.20090	10.0
386.55096	3.2
391.26193	4.2
391.33649	8.2
409.12946	5.2
409.26852	44.6
409.34937	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	409.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.3
55.05537	0.2
57.03452	0.3
58.06604	0.2
61.02947	0.6
64.82953	0.1
69.03430	1.5
70.01225	0.3
70.01633	0.7
70.06626	0.7
71.05011	0.2
72.08185	0.7
73.02934	0.3
81.03458	0.7
81.07063	0.2
82.06612	0.3
84.08131	1.5
85.02904	3.6
85.08507	0.1
85.57546	0.2
87.04501	0.2
93.07089	0.6
94.64253	0.2
97.02878	1.2
98.06088	0.2
98.09730	0.6
98.20808	0.2
98.97607	0.2
99.04507	0.2
101.06007	0.2
105.07053	0.2
107.74849	0.2
108.08128	0.2
109.02918	0.6
113.88563	0.2
115.03967	0.1
116.07108	0.3
119.01962	0.3
122.09656	3.0
122.10448	0.2
123.10458	0.8
124.03950	2.4
124.04796	0.2
124.11234	0.2
126.05511	0.2
127.03885	0.8
134.72511	0.2
138.05588	0.2
145.03505	0.2
145.04996	0.5
147.04427	0.4
161.03061	0.2
161.04762	0.6
162.05528	0.5
162.14404	0.2
164.07150	0.3
173.03003	0.2
174.05550	0.7
188.07141	0.7
188.10684	2.9
190.08606	2.3
190.10217	0.2
204.10170	0.4
216.10197	9.6
217.10483	0.5
218.11679	0.8
247.14409	100.0
248.14752	4.8
260.12766	0.2
284.35153	0.2
292.54922	0.2
309.17267	0.2
319.17545	0.3
391.18542	0.2
409.06885	0.9
409.10950	1.8
409.19614	6.2
410.19742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92822	1.3
56.28939	1.3
57.61912	1.1
61.02897	1.8
69.03410	3.7
70.06569	4.1
71.04987	1.5
71.60690	2.2
72.08143	3.6
81.03381	1.1
83.04967	1.4
84.08150	2.5
85.02889	6.6
88.03961	1.6
91.05470	2.0
93.07059	1.3
97.02863	2.1
98.06020	1.4
98.09657	2.3
98.97575	1.7
110.45458	1.1
114.05507	4.4
118.06525	17.9
119.04896	1.8
122.09667	3.2
124.03909	3.1
127.03850	2.1
130.06528	2.5
132.08073	5.0
143.07343	1.8
144.08064	10.9
146.05989	47.8
147.04393	4.2
147.06409	1.4
150.75653	1.3
159.09172	5.1
162.27432	1.5
166.07225	16.7
167.07037	2.0
169.04935	1.5
170.06029	3.0
188.07043	77.9
188.10677	3.8
189.07399	2.3
190.08574	3.1
205.09705	31.6
206.09912	1.4
215.07146	1.2
216.10178	10.7
235.64485	1.9
244.08096	2.6
247.14400	100.0
248.14662	3.9
259.50116	1.4
319.17538	4.8
349.31369	1.5
387.90231	1.3
391.19193	1.5
409.14719	3.2
409.19986	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	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
55.05495	0.3
58.89516	0.2
61.96798	0.2
67.05504	0.5
68.18774	0.2
68.99771	0.3
69.03424	0.5
70.06590	0.5
71.62165	0.3
72.08147	1.0
79.05470	0.2
81.03412	0.3
81.07044	0.5
84.04511	0.3
84.08126	0.4
85.02896	0.5
85.06509	0.3
85.07668	0.2
86.09709	0.3
91.05473	0.7
91.72401	0.2
93.07042	0.3
95.08593	0.4
97.02899	0.5
97.06541	0.2
98.97565	0.2
99.04454	0.2
105.07006	0.3
107.04935	0.3
107.08595	0.3
110.02399	0.2
111.07961	0.2
119.04928	0.9
121.02858	2.0
121.06509	0.2
121.10114	0.3
123.04417	0.3
124.07549	0.3
127.03930	0.3
129.90205	0.2
145.02838	0.3
147.04413	1.3
148.04787	0.9
152.07033	0.2
155.04860	0.2
161.05928	0.3
171.04338	0.3
175.03865	0.2
177.05481	0.2
179.03371	0.2
181.12097	0.2
185.04079	0.2
189.01942	0.2
195.02879	0.5
196.62141	0.2
199.03886	0.3
203.03369	0.5
203.05263	0.4
207.02921	0.5
215.03506	0.2
216.11887	0.2
217.05049	0.3
219.03033	0.2
221.04462	0.2
229.08630	0.3
245.04399	0.3
248.12740	0.2
255.02562	0.2
263.07227	0.2
267.06396	0.3
279.06631	0.3
279.43253	0.2
285.08832	0.2
289.08386	0.3
293.08212	0.3
294.05258	0.7
295.05997	1.9
296.06564	0.7
297.07465	0.5
305.07941	0.2
307.06097	1.6
307.09280	0.3
308.06699	0.4
309.07544	0.5
313.08084	0.2
319.05939	0.2
320.06662	0.5
321.07471	1.5
325.07071	3.7
326.07343	0.5
331.09259	0.4
333.07391	0.4
334.08145	0.4
335.09109	1.7
336.09705	0.3
337.07037	1.0
339.08957	0.4
342.82513	0.2
345.07501	0.6
349.06955	0.9
349.10681	0.3
351.08707	0.3
363.08649	2.0
364.08636	0.4
373.06879	0.3
391.08081	4.6
391.12839	0.3
392.08224	0.4
409.09235	7.3
409.18286	100.0
410.09515	0.9
410.13654	0.4
410.18625	6.2
415.06802	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	409.1642
Annotation	Isoracemosol
Peak:m/z	Relative Intensity
51.44375	0.4
55.05417	1.4
57.06988	1.1
57.07231	0.6
67.05387	3.5
69.06950	3.2
69.38913	0.4
71.62663	0.7
79.05364	1.5
81.06927	7.1
81.07439	1.0
82.07323	0.5
83.08492	1.2
83.08939	0.5
91.05347	1.7
93.06897	3.2
95.04832	0.5
95.08463	12.5
95.09138	1.4
96.08823	0.5
96.60405	0.5
97.06374	0.5
97.10081	0.9
103.05408	0.5
105.06886	3.0
106.07278	0.4
107.04827	1.4
107.08442	4.1
109.10007	6.8
109.10807	0.8
110.10394	0.6
111.11647	0.5
117.06870	1.3
119.04815	1.0
119.08578	3.1
121.02818	2.3
121.06412	0.6
121.10127	5.1
123.04364	1.0
123.11693	3.5
125.13169	0.6
129.06841	0.8
131.04803	0.7
131.08455	0.8
133.06439	0.4
133.10092	2.8
135.04263	1.3
135.11696	2.7
137.05923	0.7
137.13260	5.0
145.06337	0.7
145.09979	1.2
147.07939	0.6
147.11674	2.4
149.13237	3.1
157.06329	1.5
157.10028	0.7
159.04404	2.6
159.07899	0.5
159.11610	0.7
161.13094	1.7
163.14665	1.3
165.84480	0.5
169.06360	0.5
171.96947	0.5
173.13133	0.7
175.14735	1.0
177.16228	2.0
178.16609	0.6
185.05835	1.9
187.07417	1.8
187.14737	0.7
189.05315	2.0
189.16205	1.5
191.17813	1.3
195.02722	0.9
203.03241	0.5
203.06905	1.6
203.17764	1.3
205.19495	0.5
213.05452	13.1
217.19475	1.0
229.10045	0.9
229.19438	0.5
231.06342	1.5
231.21138	3.3
232.08830	2.8
243.20732	0.6
245.22466	0.8
247.10904	0.6
254.00220	1.3
254.99403	0.5
257.22632	0.8
259.24255	2.5
260.08221	1.4
271.24100	2.2
275.10706	2.9
279.06528	1.1
283.05896	0.6
285.25647	0.7
289.08517	0.7
292.07187	0.9
293.07993	0.7
295.05997	15.3
296.06241	0.5
303.10144	7.3
304.10410	0.6
305.07941	1.0
306.08868	1.1
307.05905	4.0
307.09576	2.2
309.07492	1.1
319.09464	0.8
320.06592	0.7
321.07889	2.2
321.10931	0.8
331.09610	38.1
332.10107	2.3
333.07556	2.1
334.08246	3.2
335.09018	1.3
337.10611	2.0
347.09033	0.5
349.10675	100.0
350.11084	4.4
361.10849	1.1
373.14267	1.0
391.15366	60.2
392.15646	3.2
408.36981	1.6
409.16525	59.0
409.31058	2.7
409.38318	9.7
410.16840	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1278
Annotation	Thonningine B
Peak:m/z	Relative Intensity
55.05492	1.4
57.07097	0.4
62.23751	0.4
67.05486	1.4
69.03425	0.7
69.07047	1.4
69.70383	0.7
69.70783	2.4
70.06564	0.5
71.04974	0.5
72.08129	0.5
79.05476	0.8
81.03398	0.5
81.07048	2.7
82.07301	0.3
83.04966	0.7
83.08620	0.6
84.08105	0.4
85.02896	0.5
91.05466	1.3
93.07015	1.5
95.04947	0.6
95.08603	2.8
97.02882	0.5
97.06508	0.5
97.07432	0.3
100.11260	0.7
105.03326	0.5
105.07014	2.1
106.04219	0.4
107.04929	0.6
107.08563	2.1
109.06488	0.4
109.10167	2.1
110.80492	0.4
111.04464	0.5
117.06989	0.7
119.08561	1.8
121.02849	0.7
121.10129	1.1
123.04412	1.4
123.11680	1.1
127.03909	0.7
131.08565	0.6
133.02818	0.4
133.10110	1.3
135.08011	0.5
135.11667	1.2
137.02315	0.6
137.05974	0.6
137.09583	0.5
137.13246	0.5
143.08569	0.4
145.10091	1.1
147.04395	0.8
147.11662	0.9
149.05930	0.4
149.13235	0.8
151.03909	0.6
151.07489	1.7
157.06487	0.5
159.08054	0.4
159.11717	1.1
161.05962	0.4
161.13252	0.6
162.06729	0.4
163.03909	0.4
163.14828	0.4
165.06879	0.4
171.08037	0.4
173.13150	0.4
175.07549	0.5
175.14890	0.6
177.05515	0.4
177.16461	0.4
182.15381	1.2
183.08119	0.4
183.15707	0.5
186.03033	0.4
186.06747	0.7
187.07520	0.5
187.11089	0.4
187.14818	0.5
189.09103	0.4
191.10634	0.5
195.03032	0.4
197.05989	0.4
198.06760	0.5
199.07564	0.5
201.05450	1.0
206.88036	0.4
210.14885	0.6
211.07631	0.5
211.14966	0.4
212.08331	0.4
213.05499	0.5
214.06291	0.8
215.06859	0.6
227.06944	0.7
229.04980	1.5
233.08005	0.5
239.07083	0.6
241.05054	0.4
242.05731	1.3
243.06610	1.6
244.07204	0.4
245.04538	0.4
247.40503	0.3
249.09010	0.3
260.06738	0.9
263.06989	0.6
263.10733	0.4
269.61438	0.4
274.09875	0.8
277.08655	1.2
278.05734	0.4
279.06580	0.4
279.09982	0.4
291.06784	0.4
291.10135	1.1
292.10764	0.6
293.08179	0.7
302.09186	0.5
303.10138	0.8
305.08115	1.5
306.08691	0.4
307.05930	1.8
307.09534	0.7
319.06140	0.6
319.09619	4.5
320.06873	0.5
320.10327	0.9
321.07529	1.3
322.04550	0.6
323.05518	0.5
324.06363	0.6
329.08078	0.5
331.09576	0.7
333.07547	1.7
334.08069	0.4
335.05402	0.4
335.09018	1.3
335.12756	0.4
336.06082	0.5
337.07053	1.7
337.10504	0.6
338.07806	1.0
340.60745	0.4
347.09070	1.9
348.06213	3.7
348.09940	2.6
349.06775	0.5
349.10846	0.7
351.08646	1.3
353.10355	0.5
355.08105	0.4
359.09073	0.6
361.07010	1.1
362.07745	1.3
363.08496	7.3
363.12329	0.9
364.09180	1.2
365.10272	0.7
366.10855	0.4
375.08490	2.0
376.09384	27.5
377.10095	4.0
378.10962	1.9
379.08005	0.9
381.09329	0.5
391.11734	27.9
392.12146	2.0
394.10464	12.5
395.10950	1.0
408.37012	0.5
409.12778	100.0
409.31381	1.1
410.13120	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	409.1279
Annotation	Dehydrotoxicarol
Peak:m/z	Relative Intensity
55.05498	0.9
57.07059	0.4
65.03926	0.4
67.05499	2.2
69.03423	0.3
69.07079	1.8
70.68295	0.3
70.96003	0.3
70.96347	0.6
71.04985	0.3
79.05470	1.2
81.03414	0.4
81.07057	2.6
83.08607	0.4
91.05477	1.1
93.07037	1.8
95.04944	0.5
95.08601	3.7
96.08930	0.4
97.10161	0.3
103.51432	0.3
105.07020	1.5
107.04950	0.7
107.08607	1.8
109.06502	0.7
109.10159	1.8
110.10464	0.5
111.11704	0.3
119.08582	1.3
121.02943	0.3
121.06508	0.4
121.10145	1.6
122.10536	0.3
123.04414	1.2
123.11709	0.8
131.08583	0.8
133.02856	0.3
133.06451	0.3
133.10118	1.1
134.03633	0.6
134.10504	0.3
135.04337	0.4
135.08098	0.7
135.11670	0.8
137.05939	0.4
137.13245	0.4
143.08543	0.5
145.10124	1.3
147.04385	0.5
147.11690	1.0
149.13277	0.8
151.03851	0.5
151.07539	0.7
155.08566	0.6
157.10146	0.5
159.11696	0.8
161.06010	0.5
161.09596	0.3
161.13269	0.6
163.07501	0.5
165.05525	0.6
169.10083	0.3
171.04329	0.3
171.11609	0.3
173.06030	0.3
173.13341	0.4
175.07643	0.5
175.11154	0.5
177.16451	0.7
187.07437	0.3
189.01776	0.4
189.05431	0.5
189.09029	0.4
189.16412	0.8
191.10760	0.3
191.17996	0.3
192.18378	0.5
193.04892	0.4
199.07550	0.3
201.09050	0.6
201.16443	0.5
203.17961	0.5
207.02885	0.5
213.05498	0.4
214.06279	0.3
215.06944	0.4
217.05043	0.3
217.19504	0.6
218.19983	0.5
229.08495	0.3
231.06392	0.4
245.04514	0.3
249.07646	0.5
250.08372	0.4
251.06902	0.4
253.04970	0.4
255.06564	0.6
266.06042	0.3
267.06433	0.7
277.08636	0.7
279.06473	0.5
281.04312	0.4
282.05118	0.3
283.05994	0.5
291.10309	0.6
292.07724	0.3
295.06107	0.8
295.09692	0.9
296.06787	1.0
297.07437	0.5
298.04883	0.3
298.08441	0.4
299.05505	0.3
305.07901	0.5
306.05249	0.4
306.08633	0.4
307.06024	0.7
307.09521	0.4
308.06693	0.5
309.07574	0.9
309.11316	0.7
310.04532	1.3
310.07916	0.5
311.05716	0.5
311.09088	1.3
312.06259	0.7
313.06949	0.6
319.09634	1.2
320.06808	0.3
320.10431	0.3
321.07590	0.4
321.11118	0.5
322.04755	1.0
322.08224	0.5
323.05432	1.4
323.09143	1.7
324.06216	2.1
325.07022	3.1
326.07892	1.0
327.08798	0.6
331.09729	0.4
333.07474	0.4
333.11282	0.5
334.08432	0.5
335.09143	0.4
336.06281	5.4
337.06998	2.8
337.10791	1.0
338.07806	1.1
339.08572	2.2
340.05746	3.0
343.08157	0.6
345.11087	0.4
347.09235	1.4
348.09622	1.5
349.10629	0.8
350.07788	2.7
351.08630	13.3
352.09479	0.5
353.10156	0.5
355.08118	8.3
356.08258	0.4
358.08276	0.4
362.11533	0.8
363.12210	0.9
365.10159	8.0
366.10876	3.0
367.08093	2.7
367.11899	0.6
373.10767	0.8
376.09338	1.1
377.09985	0.4
379.07935	2.1
379.11990	0.3
380.12692	0.6
381.09402	0.7
381.13348	1.2
391.11716	3.5
391.33752	0.4
392.84009	0.3
394.10483	7.6
395.11050	0.7
408.37180	2.1
409.12790	100.0
409.37558	1.0
410.13162	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	408.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
65.79961	0.2
67.05512	0.3
69.07053	0.4
69.39577	2.6
75.04103	0.3
79.05483	2.7
80.02219	0.3
81.07045	0.9
89.06024	3.5
91.05505	1.3
93.07033	1.1
95.04956	2.4
95.08594	1.1
96.08975	0.3
98.20680	0.5
103.05460	2.5
105.07023	100.0
106.07354	1.1
107.08579	0.7
117.06967	0.3
119.04921	0.6
119.08577	0.9
121.06489	5.7
121.10140	0.5
121.99076	0.3
123.11715	0.4
123.38765	0.4
128.90918	0.3
129.06998	0.6
131.08571	0.3
133.10201	0.4
135.08136	0.4
145.10103	0.4
147.08060	2.6
149.09572	0.7
150.25056	0.3
163.11208	0.4
165.09163	1.1
183.10156	29.4
191.10699	1.0
209.11617	0.6
209.13272	2.0
223.11118	0.8
225.12851	0.3
253.00009	1.0
287.16379	2.9
334.08664	0.3
348.22113	0.5
408.32959	0.4
408.37659	0.4
409.12714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03943	0.6
69.07047	0.7
69.37237	0.9
69.37638	2.9
77.03922	0.4
79.05492	3.2
81.07039	1.1
89.06023	2.8
91.05476	1.2
93.07036	1.0
95.04962	2.6
95.08592	1.1
103.05442	2.7
105.07020	100.0
106.07355	1.1
107.08551	0.6
109.10179	0.7
119.04938	0.4
119.08554	1.7
121.06483	5.1
121.10122	0.4
145.10033	0.4
147.08002	2.3
147.11690	0.5
149.09634	0.6
163.11243	0.7
165.09146	1.4
183.10146	28.0
184.10501	0.6
191.10670	0.8
209.11565	0.5
209.13281	1.7
221.15489	0.4
223.11089	0.8
241.18988	0.4
251.14336	0.7
252.99936	0.9
255.60916	0.4
283.06058	0.6
284.06345	1.0
285.14822	0.4
287.16440	3.8
311.21149	1.3
408.11765	1.0
408.17969	1.1
408.25357	0.6
408.32947	0.4
408.37503	0.5
409.12811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94152	0.3
55.01861	0.7
55.05495	0.6
57.03423	0.5
61.02937	0.4
69.03410	1.6
70.06564	1.0
71.04978	0.4
71.53809	0.6
72.08144	1.7
72.74980	0.3
73.02890	0.4
75.36227	0.3
79.05472	0.7
81.03387	0.6
84.04504	0.5
84.08100	0.5
85.02491	0.3
85.02904	3.9
86.09692	0.5
91.05485	0.8
93.07033	1.0
97.02877	1.1
97.67849	0.3
98.06123	0.4
98.09689	0.7
103.05436	0.6
105.07014	0.7
106.04159	0.5
107.04940	0.6
109.02866	0.5
119.04939	0.7
121.06483	1.4
123.04385	1.4
124.05177	0.6
124.07596	0.4
127.03896	1.1
127.51508	0.4
133.06487	0.7
137.05922	0.7
141.10210	0.4
145.04996	0.4
147.04329	2.1
149.05957	2.2
151.03871	0.8
152.04655	0.8
154.82809	0.4
161.05908	0.7
166.06190	0.5
167.07025	100.0
168.07372	1.0
170.08122	0.5
179.06970	0.4
180.08711	0.9
181.08563	2.4
193.08554	3.6
211.09636	16.9
213.88284	0.4
216.98000	0.3
218.11807	0.5
229.05736	0.4
229.10693	11.8
235.14383	0.5
250.94560	0.4
290.97247	0.4
355.61182	0.4
408.23584	0.4
408.31085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01869	1.3
55.05499	3.2
57.03446	1.4
58.06588	1.7
60.04517	1.1
67.05516	1.5
69.03422	5.5
69.42892	11.6
70.06583	5.9
72.08140	8.5
79.05483	2.1
81.03414	2.5
82.06575	6.2
84.08146	7.8
85.02901	9.1
86.06049	2.4
86.09700	1.8
87.04464	1.4
89.10799	1.3
91.05465	4.6
93.07038	5.9
94.06541	1.3
95.04974	2.5
96.08138	2.6
97.02877	4.2
98.06052	2.5
98.09682	16.0
101.05995	3.1
103.05448	5.0
105.07008	2.3
106.04184	1.2
107.04935	4.8
107.08576	1.4
109.02866	2.2
112.07594	2.0
114.09145	2.7
116.98598	1.5
119.04942	2.1
120.08115	2.4
121.06491	11.1
121.14929	1.2
123.04385	3.4
124.05215	1.4
124.07592	1.1
125.05811	1.1
127.03919	4.5
128.07079	15.6
128.10724	2.0
133.06450	2.9
136.82796	1.2
137.05969	2.2
138.05569	1.5
140.07080	5.4
142.08589	2.7
144.10185	5.4
145.04973	1.4
146.99658	1.5
147.04379	12.1
148.04712	1.3
148.15556	1.1
149.05956	21.9
161.05974	5.0
163.07527	2.0
166.06229	4.6
167.07025	79.8
178.96091	1.1
181.08572	31.2
181.10173	1.7
188.09105	1.4
193.08604	3.7
195.10065	1.5
211.09637	100.0
212.10089	2.1
214.10670	1.9
218.11699	2.5
219.12321	1.2
235.14246	5.8
236.14876	1.2
246.13350	1.9
247.14366	1.2
248.53589	1.2
270.13333	1.4
273.96402	1.2
288.14389	2.4
329.29190	1.2
332.13345	3.3
408.17618	2.7
408.22720	22.5
409.21744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01868	2.7
55.05510	2.8
56.52500	1.5
56.96559	19.8
57.03418	7.8
57.07061	1.8
57.65726	1.6
61.02911	7.7
67.05501	8.2
69.03423	28.9
69.07048	7.0
69.95651	10.8
70.07405	1.9
71.04992	2.5
73.02908	6.6
79.05479	5.5
81.03407	12.2
81.07052	13.1
82.07365	2.3
83.08605	3.0
85.02899	50.9
85.84607	1.7
87.04456	6.6
91.03951	3.1
91.05466	8.8
93.07025	5.5
95.04993	3.4
95.08595	24.6
96.08934	5.4
97.02891	25.6
98.20619	2.2
99.04438	5.3
103.05450	2.6
105.07024	19.7
106.07346	1.8
107.04917	3.0
107.08596	13.5
108.08877	1.6
109.02860	6.7
109.10159	16.0
110.10503	3.8
117.07044	2.0
119.04926	3.1
119.08571	8.0
121.06478	4.8
121.10137	10.2
123.04414	7.3
123.11658	7.0
124.05257	2.6
127.03902	9.4
131.04942	4.7
131.08597	2.7
133.06485	8.8
133.10115	7.4
135.11690	6.4
137.06041	2.0
137.13185	2.8
145.04958	5.3
145.10129	5.3
146.03227	1.7
146.99802	1.6
147.04422	2.4
147.11702	4.8
149.06020	4.9
149.13266	2.8
151.07552	3.0
157.41397	1.8
159.11714	3.3
161.06018	11.0
161.13213	3.7
163.07545	2.3
163.14861	2.6
167.07027	100.0
168.07352	7.7
173.13269	2.1
174.13600	2.1
175.14735	2.1
177.16394	3.3
179.07030	2.9
180.07849	2.3
181.08577	3.1
182.09399	3.9
189.16376	3.7
190.16736	1.8
191.17966	4.8
193.08588	7.5
194.09340	14.0
195.04953	5.2
197.04527	1.7
202.05751	5.0
202.16675	2.2
203.04601	2.1
203.17953	6.4
204.05406	4.8
208.55876	1.8
209.01199	4.3
209.06523	2.4
210.05363	2.8
210.55820	1.9
211.02795	5.9
211.09784	1.7
214.01476	4.3
217.06291	3.2
217.19551	7.2
218.06943	2.7
221.01236	3.4
223.02663	9.3
227.02264	38.1
228.02916	2.7
228.57050	2.1
229.03850	3.6
229.19528	2.7
230.07101	2.9
231.07869	3.8
232.02631	2.3
236.03433	2.2
239.02332	6.0
239.07600	8.2
240.03075	6.2
240.08333	3.7
241.03777	19.1
242.04349	3.3
245.03342	16.2
246.03764	3.1
250.03908	2.9
250.58278	4.0
252.02959	2.2
253.03778	2.5
254.04636	24.4
255.21027	1.9
256.21405	2.1
257.03107	2.1
258.04117	3.2
258.22742	2.3
259.04846	6.4
260.05524	2.5
264.05533	3.6
267.05429	14.7
268.06284	3.3
269.06836	2.9
269.22610	2.0
270.04135	5.2
272.05695	20.4
277.06342	2.7
283.04834	2.5
285.06314	5.9
288.05121	4.4
296.09848	4.8
296.60196	2.3
305.10410	9.8
306.59729	10.9
307.09668	3.2
311.09683	5.7
311.60751	3.1
312.11182	4.0
318.61554	3.8
327.11670	97.1
327.61862	26.8
328.11661	1.9
336.12201	53.9
336.62317	18.8
347.62976	27.6
348.13275	9.0
357.06436	3.4
359.07712	2.3
384.08673	4.7
391.11530	3.6
400.07974	2.6
402.09833	12.8
403.10352	2.9
407.36792	12.8
408.36938	23.8
409.12851	7.0
415.10721	2.5
417.12119	4.8
418.09290	5.1
425.11737	2.3
433.11685	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20015	0.3
56.68955	0.4
57.37313	0.4
64.38285	0.4
71.62027	0.5
71.62482	0.5
97.53366	0.4
116.98563	0.5
119.01920	5.4
120.50120	0.4
134.99765	1.1
137.02910	3.3
169.33163	0.4
177.00938	16.2
178.01025	0.6
195.02008	0.8
200.02553	0.5
201.00972	1.1
217.04031	3.1
219.01991	26.1
220.02161	1.7
221.02029	1.0
225.00824	3.4
225.02705	0.3
234.99994	0.5
242.03525	1.2
243.01988	5.5
258.06699	0.4
259.00009	1.6
259.99930	0.9
260.04440	0.4
261.03049	100.0
262.03162	5.2
263.03116	1.4
266.03699	0.7
271.46054	0.4
277.01071	1.8
278.01074	1.2
279.01105	0.5
283.00003	1.7
283.99945	1.0
284.04681	6.5
285.04813	0.5
301.01031	6.3
302.01157	2.1
302.03757	0.6
302.05911	0.7
303.00882	1.4
319.02206	0.8
361.27896	0.6
367.01978	2.0
372.22958	0.4
384.04617	1.3
385.03149	17.9
385.89450	0.4
386.03055	1.1
403.04236	27.1
404.04327	2.6
408.04922	1.9
426.06067	3.5
427.05655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01853	1.4
55.05508	13.5
57.03426	1.9
57.07060	5.4
65.03958	1.3
67.05166	2.0
67.05499	27.3
69.03423	4.2
69.07060	23.6
70.06580	4.7
71.04987	1.3
71.08609	1.5
71.61881	1.8
72.08147	2.0
79.05482	15.1
80.05834	1.1
81.03420	2.8
81.07051	56.0
82.07394	2.0
83.04980	2.7
83.08614	9.9
84.08153	1.5
85.02898	2.5
85.06537	2.7
91.05473	12.6
93.07039	27.7
95.04962	4.1
95.08601	91.8
97.02892	3.8
97.06515	4.2
97.10155	6.2
105.07021	32.5
107.04951	2.3
107.07852	2.3
107.08585	46.7
109.02853	3.7
109.06522	4.1
109.10148	67.6
109.94057	1.5
110.02424	1.7
110.10474	1.8
111.08086	1.6
111.11712	2.1
115.05434	1.7
117.06993	5.7
119.08572	39.9
121.06496	2.2
121.10132	41.7
123.04427	6.9
123.08087	3.2
123.11701	25.3
125.06010	1.5
127.03943	2.7
129.06970	1.9
131.08560	9.3
133.06456	2.7
133.10118	36.6
134.10458	2.2
135.11684	25.9
137.05978	3.6
137.13237	20.0
142.07831	1.4
143.08560	4.5
145.10107	16.0
147.04425	4.9
147.11679	26.6
149.13245	19.5
151.07553	2.8
151.14813	2.4
157.10129	6.4
159.11687	18.1
160.05132	1.6
161.05972	1.5
161.09612	2.3
161.13229	22.1
163.04004	2.0
163.07590	1.7
163.11119	1.4
163.14830	15.4
167.07019	8.8
169.10107	2.5
171.08049	1.7
171.11769	7.3
172.12253	1.4
173.02292	1.9
173.13258	12.9
175.07602	1.7
175.14803	10.4
177.05339	2.9
177.16393	14.2
179.17899	2.7
185.13252	5.6
187.07587	1.5
187.14822	9.2
189.05464	3.2
189.12755	1.4
189.16370	21.3
191.17931	20.4
197.13293	2.2
199.14722	5.8
201.16342	16.9
203.06946	1.4
203.17935	26.4
205.08658	2.3
205.19537	6.9
207.06532	4.1
211.14795	2.2
213.16402	5.8
215.07085	1.7
215.17958	9.7
217.19499	25.2
218.19806	2.1
219.21007	1.7
225.10352	1.8
227.10693	1.6
227.17944	5.7
229.19519	11.0
231.21117	5.2
237.10278	2.7
241.19513	4.6
243.21100	6.1
245.11708	6.1
245.22707	2.0
246.81581	1.3
251.08232	6.5
255.21046	11.3
257.22653	10.7
259.09497	1.7
259.24118	1.9
265.09830	2.5
267.11353	3.0
269.09326	2.9
269.22656	11.4
271.24258	2.9
279.07715	4.2
283.24237	4.7
285.12354	2.0
293.09238	4.7
297.08707	7.7
297.25610	2.9
311.10239	3.9
323.27472	1.7
329.11328	5.5
337.28870	1.6
339.09714	3.2
345.14575	2.4
346.16583	2.9
357.10632	1.4
363.15601	3.7
371.12305	1.4
375.11810	1.9
389.13397	5.5
389.23785	1.3
390.14059	2.1
390.18900	2.1
393.84286	1.3
407.14822	14.4
407.23669	3.7
407.36731	100.0
408.37036	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01863	2.0
55.05510	19.0
57.07069	17.5
67.05498	28.9
68.62889	1.8
68.84122	1.5
69.07063	35.8
70.23967	8.2
71.08620	8.2
72.04485	1.7
79.05480	14.4
81.03450	2.3
81.07055	70.2
83.08610	20.6
85.10165	2.5
89.42799	1.9
91.05488	11.1
93.07038	32.2
94.61142	1.9
95.04988	2.6
95.08602	100.0
96.08923	2.8
97.10177	10.4
103.95184	2.0
105.07035	20.5
106.16920	2.1
107.08591	37.7
108.79160	1.8
109.10144	49.4
111.08096	3.2
111.11707	5.5
115.03935	2.8
117.07027	3.0
119.08570	33.2
121.10134	35.9
121.10913	3.5
123.11702	24.8
125.02355	6.2
127.03909	21.9
131.08553	14.7
133.10120	33.6
133.11069	2.9
135.11679	21.2
137.13242	36.8
139.03896	5.2
139.07590	3.1
143.08517	5.9
145.10115	25.5
147.11662	14.2
149.13226	17.2
151.14818	3.4
153.05560	2.1
153.09149	2.8
157.10175	6.3
159.11676	25.1
161.13232	19.4
163.14812	10.2
165.09169	3.0
171.11687	4.7
173.13272	11.7
175.14821	10.7
177.16443	6.0
181.08545	2.2
185.13214	9.8
187.14781	20.4
189.16357	12.6
191.17978	10.1
195.12335	3.2
195.13925	2.2
199.14771	3.9
201.16394	11.4
203.16339	2.6
203.17889	9.9
205.19522	6.4
213.16409	6.6
215.18010	8.2
217.19571	9.8
227.17952	22.5
228.18419	2.1
229.19580	4.5
231.21104	2.4
234.02214	1.9
237.14853	2.1
241.19492	3.0
243.20979	2.1
245.22768	2.9
255.21150	4.8
257.22723	6.2
269.22641	8.9
275.94327	2.0
276.28745	1.7
283.24365	3.9
293.21274	2.1
371.29361	2.8
389.29901	9.0
389.34488	5.8
407.31717	13.5
407.36722	86.1
408.37192	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	407.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.8
57.07061	4.2
67.05161	1.9
67.05500	20.0
69.07069	15.6
70.02575	5.7
70.02921	1.8
71.08620	1.3
71.71478	1.0
79.05489	6.5
79.64463	1.2
81.07050	39.5
83.08617	8.3
91.05482	6.3
93.07041	19.0
95.04978	1.6
95.08598	76.9
96.08952	1.1
97.10175	4.5
105.07026	17.7
107.08579	32.0
109.10149	57.3
111.11704	3.7
112.40584	1.2
117.07004	2.0
119.08573	29.3
121.09302	2.3
121.10134	32.0
123.11698	22.7
131.08565	5.6
133.10115	32.9
133.11066	2.1
135.11684	19.5
137.05966	4.6
137.13237	19.0
143.08551	3.2
145.10104	12.1
147.11685	19.2
149.13243	13.4
151.14870	2.6
157.10144	3.5
158.10867	1.7
159.11691	14.4
161.13234	19.5
163.14804	12.5
171.11649	5.4
173.13252	10.3
175.14832	12.8
177.16388	13.5
179.17979	2.8
180.93816	1.0
185.13248	2.7
187.14745	8.3
189.16389	19.1
191.17941	18.3
199.14854	3.4
201.16402	13.5
203.17932	22.0
205.19452	7.3
213.16400	2.9
215.17905	9.0
217.19524	24.2
227.17970	4.9
229.19455	11.2
230.19850	1.3
231.21057	5.8
241.19524	4.6
243.21069	6.8
245.22701	3.0
255.21034	11.2
257.22610	10.8
269.22592	10.6
270.22708	1.1
271.24228	3.3
283.24246	5.2
285.25714	1.2
297.25772	3.0
311.27289	1.3
323.27402	1.5
407.14917	4.6
407.36700	100.0
408.37091	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03922	1.1
55.01867	1.4
55.05296	0.9
55.05505	9.7
57.07060	3.5
60.05645	1.3
65.03944	1.4
67.05500	18.4
69.06718	1.6
69.07063	22.6
69.65054	7.1
70.06574	3.8
70.07397	0.8
72.08134	3.4
79.05132	0.8
79.05498	10.1
81.07050	40.7
83.08617	8.3
84.08121	1.6
85.02905	1.6
86.04640	0.9
91.05471	11.2
93.07040	22.8
95.04955	3.0
95.08598	81.9
96.27676	0.9
96.87845	0.9
97.06519	20.0
97.10186	4.7
102.55647	0.9
105.07027	21.6
107.08583	38.2
109.06527	1.0
109.10147	55.4
110.10468	2.1
110.48729	0.9
111.11701	3.4
114.10274	3.9
115.08664	1.2
117.06991	2.7
117.16137	1.0
119.08572	35.0
121.10135	33.7
123.04402	1.9
123.11700	25.3
125.13269	1.2
127.03898	1.5
129.06990	1.4
131.08537	6.5
131.12936	1.5
133.10117	34.0
135.04338	1.6
135.11678	22.8
137.05890	1.0
137.13258	17.5
143.08522	2.9
144.09329	1.9
145.02756	1.1
145.10098	12.1
147.11685	22.2
149.06003	1.2
149.13237	16.2
151.14825	2.6
157.10107	3.9
159.04393	2.0
159.11693	15.0
161.02330	4.3
161.06007	1.6
161.13242	19.9
163.03899	16.0
163.07524	2.4
163.14799	14.3
165.16373	1.0
167.07079	1.9
171.11702	4.1
173.02345	13.1
173.13243	9.9
175.14824	10.3
177.16386	15.1
179.17995	2.1
185.05945	1.7
185.13266	4.4
187.14847	8.9
189.05426	4.3
189.16359	19.2
191.17937	16.5
197.13228	1.0
199.14812	4.2
201.16371	15.2
203.17941	22.7
205.08630	2.3
205.19521	7.1
213.16362	3.4
215.07007	18.2
215.17906	9.9
216.07283	1.5
217.19496	28.0
219.21075	2.0
227.17998	5.3
229.19475	10.9
231.21034	6.1
241.19492	4.1
243.21046	5.8
245.22661	2.4
255.21037	10.3
257.22641	9.5
259.09647	13.4
259.24219	1.2
269.22589	13.1
271.24173	3.3
277.10693	5.4
283.24213	4.2
297.25677	4.3
300.15979	1.3
309.25766	1.5
311.27313	1.4
313.28940	1.2
323.27307	1.2
346.16446	3.5
351.30197	1.1
365.31921	2.6
372.19446	1.6
389.21744	3.9
389.24451	1.4
390.18906	1.6
407.14789	1.9
407.22556	36.5
407.36700	100.0
408.23138	4.7
408.37012	6.7
426.41336	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.6
57.07062	4.5
60.70199	1.5
67.05499	16.2
69.07064	35.1
69.60192	4.4
69.60607	9.0
71.08622	3.1
72.30986	1.4
79.05489	9.7
81.07050	63.5
83.08611	10.1
91.05468	5.8
91.57566	1.4
93.07043	22.4
95.08596	48.0
96.27563	1.4
97.10146	5.9
105.07015	16.1
107.08584	29.6
109.10149	39.3
111.11739	2.9
116.24762	1.8
117.06970	2.2
119.08570	22.4
121.10142	20.8
121.51706	1.6
123.11713	19.9
129.07018	2.2
131.08551	8.2
133.10146	13.8
135.11690	17.5
137.13252	12.0
143.08522	4.3
144.09308	1.9
145.10114	13.1
147.11667	17.1
149.13245	15.1
151.14816	2.6
157.10101	6.2
159.11674	21.1
161.13280	12.9
163.14766	8.5
169.10075	2.4
171.11702	6.9
173.13278	11.9
175.14807	10.1
177.16388	7.1
179.38622	1.5
183.11658	2.4
185.13281	7.5
187.14784	9.7
189.16379	7.5
191.17957	3.7
197.13292	2.3
199.14821	6.8
201.16307	8.7
203.17924	5.9
205.19579	2.4
211.14853	2.8
213.16388	7.2
215.17865	8.6
217.19507	5.7
225.16415	2.2
227.18011	8.5
229.19498	8.3
231.21135	3.0
241.19556	3.1
243.21159	4.1
253.19392	2.3
255.21085	4.8
257.22568	7.6
269.22595	5.4
271.24149	3.2
283.24246	7.0
285.25812	2.2
295.24240	2.0
297.25854	2.6
309.25781	1.9
311.27255	2.0
323.27496	3.9
325.28766	4.6
337.28931	2.6
351.30551	4.3
407.36713	100.0
408.36996	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	407.3668
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.32954	0.9
53.03934	1.8
55.05500	9.4
57.07057	4.5
60.55580	1.0
67.05501	19.5
69.03410	2.1
69.07063	19.4
69.64178	7.3
70.06586	1.0
79.05482	8.6
81.03412	1.7
81.07050	43.0
83.08610	10.9
85.02894	1.5
91.05467	8.2
93.07043	22.3
95.04956	2.1
95.08599	83.5
97.02840	1.5
97.10145	5.8
101.69286	1.3
103.05443	1.3
105.07019	24.8
105.07671	1.9
107.08586	38.3
109.02860	0.9
109.06492	1.5
109.10146	57.0
109.15042	0.8
111.11691	4.1
114.33563	1.0
117.07008	3.0
119.08574	29.5
121.10133	35.3
123.04456	1.1
123.11690	24.2
125.13256	1.2
129.07031	2.1
131.08565	7.2
133.10121	34.7
134.07890	0.9
135.11685	22.4
137.06021	1.0
137.13237	17.8
141.07001	1.0
143.08534	3.0
145.10110	14.0
147.11678	21.3
149.13249	16.7
151.07521	1.2
151.14815	2.8
157.10136	3.1
159.11699	16.3
160.12021	1.2
161.05876	1.1
161.13249	22.1
163.14812	15.6
165.16479	1.1
167.07060	1.9
171.11627	4.6
173.13257	9.7
175.14827	11.0
177.16373	16.5
179.17932	2.3
185.13274	3.7
187.14833	8.1
189.16368	18.8
191.17943	17.0
194.11043	1.2
199.14781	3.3
201.16367	15.8
203.07103	1.0
203.17952	24.8
205.19478	7.2
207.06499	3.2
213.16333	4.6
215.17950	8.5
217.19492	28.8
219.21082	2.3
227.17963	4.2
229.19484	12.0
231.21075	7.5
241.19473	4.2
243.21109	6.4
245.11766	5.1
245.22694	3.0
255.21043	9.0
257.22638	9.2
259.24271	1.4
269.22595	11.7
271.24210	2.9
283.24109	3.0
295.06213	1.0
297.25662	2.8
309.25705	1.9
337.28848	0.9
351.30527	1.8
365.31839	1.3
407.36697	100.0
408.36887	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05512	15.4
56.87565	1.5
57.07066	7.3
65.03902	2.0
67.05502	24.5
69.07063	43.4
69.66967	3.0
69.67378	9.4
71.08620	2.3
75.16792	1.9
79.05486	14.3
81.07055	70.0
81.98203	1.6
83.08620	16.9
91.05473	13.0
93.07043	32.5
93.61668	1.7
95.08603	68.6
97.10143	9.5
98.21490	2.7
105.06356	3.0
105.07020	26.5
107.08591	43.8
107.09292	3.0
109.10151	52.4
111.11704	3.5
117.07053	3.1
119.08577	31.4
121.10139	34.6
123.11704	23.3
123.80082	2.2
129.06996	3.0
131.08578	12.2
133.10118	23.4
135.11681	26.8
137.13274	12.7
143.08553	5.6
145.10123	22.5
147.11674	22.7
149.13266	21.0
151.14862	2.5
155.08559	2.1
157.10168	11.5
159.11688	25.2
161.13229	17.1
163.14836	9.7
171.11688	10.1
173.13255	17.4
175.14815	13.0
177.16393	15.1
183.11713	3.1
185.13280	10.6
187.14830	14.4
189.16393	13.4
191.17946	4.5
197.13295	3.0
199.14821	7.7
201.16341	11.8
203.17953	9.4
213.16318	8.9
215.17970	10.0
217.19476	5.4
225.16432	1.9
227.17953	8.4
229.19493	12.3
231.21045	2.6
241.19580	5.5
243.21121	3.5
253.19402	2.8
255.21138	5.6
257.22641	6.3
259.24261	3.2
269.22696	5.8
271.24207	4.6
276.68735	1.8
281.22818	2.5
283.24185	6.5
285.25830	2.6
295.24307	3.6
297.25818	2.5
309.25873	2.4
323.27383	3.8
325.28854	7.9
337.28952	3.9
351.30426	5.4
389.34241	2.0
407.36752	100.0
408.37158	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3668
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05502	13.2
55.23307	3.2
57.03428	6.9
57.07070	9.2
67.05502	24.5
69.07063	21.8
70.69286	9.8
71.08623	8.9
79.05489	9.7
81.07053	52.3
82.07394	6.5
83.08614	15.0
84.33252	3.1
85.06509	4.5
85.10152	3.2
91.05459	9.5
93.07040	23.2
95.08597	89.0
96.08939	3.4
97.10163	7.6
105.07012	13.5
107.08584	38.1
109.10157	37.3
111.11674	3.4
113.00011	70.6
119.08555	23.6
121.10133	33.7
123.08038	2.9
123.11704	21.0
127.03916	11.8
131.08507	4.4
133.10106	15.6
135.11696	16.6
137.13231	12.9
140.22453	3.1
145.10092	15.0
147.11691	16.9
149.13228	18.7
151.14790	4.1
157.10132	4.2
159.11696	9.2
161.13258	12.4
162.62544	3.2
163.14828	9.7
169.02597	100.0
170.03029	3.7
173.13246	12.4
175.14809	12.0
177.16377	6.8
185.13187	6.9
187.14792	4.1
189.16370	18.7
191.17950	12.4
201.16473	9.6
203.17960	14.0
205.19594	4.2
213.16469	4.4
215.17934	12.9
217.19466	17.3
224.43816	3.4
229.19513	5.9
255.21060	4.5
257.22672	12.8
269.22665	4.9
297.25665	3.7
389.30200	5.9
407.13129	4.2
407.32562	7.8
407.36923	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3668
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03951	1.4
55.05505	9.9
57.07067	5.1
65.67918	1.0
67.05497	21.1
68.16478	1.1
69.07059	19.6
70.74863	4.1
71.08644	1.9
79.05482	7.3
81.07049	40.5
83.08612	9.7
86.13436	1.1
91.05468	7.6
93.07031	20.0
94.13239	1.1
95.04942	1.6
95.08601	80.8
96.08965	1.5
97.10174	4.4
105.07024	22.9
105.07673	2.1
107.08590	35.3
109.10151	52.8
111.11740	2.9
115.05429	1.2
117.07030	2.0
119.08580	27.3
121.10136	36.5
123.10826	1.6
123.11703	21.9
129.07056	1.3
131.08562	4.8
133.09105	2.5
133.10120	34.8
135.11691	19.2
137.13243	16.1
143.08533	2.1
145.10162	9.6
147.11667	19.9
149.13258	16.3
151.14815	2.7
157.10152	4.5
159.11685	12.9
161.13252	20.6
163.14832	11.4
171.11725	4.8
173.13251	9.5
175.14816	12.1
177.16385	18.0
179.17963	2.1
185.13179	3.0
187.14806	8.9
189.16368	19.2
191.17921	19.5
197.13248	1.4
199.14755	2.5
201.16379	12.3
203.17915	22.8
205.19496	7.1
212.15581	1.2
213.16318	2.2
215.17931	7.9
217.19485	28.3
219.21136	1.8
227.17941	4.3
229.19511	14.2
231.21036	6.6
241.19475	5.6
243.21173	4.5
245.22702	2.4
255.21016	14.5
257.22632	12.3
269.22614	12.5
271.24210	2.8
283.24197	4.8
297.25720	5.3
309.25571	1.2
311.27118	1.5
321.16788	1.5
323.27335	1.8
337.28845	2.0
365.32114	1.6
407.24094	55.9
407.36673	100.0
408.24319	5.7
408.36987	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03908	0.9
55.05503	6.5
57.07061	3.8
67.05499	11.9
69.06711	1.5
69.07066	18.3
69.62912	8.0
71.63994	0.9
77.25738	0.8
79.05486	9.2
81.07051	33.3
83.08617	6.2
91.05485	6.3
93.07046	15.9
95.04974	1.5
95.08602	47.8
97.10152	4.4
105.07026	15.9
107.08590	26.1
109.10154	29.2
109.51926	1.0
111.11730	5.0
111.12436	0.8
117.07015	3.2
119.08566	16.7
120.86831	1.0
121.10132	24.1
123.11691	14.1
129.06958	2.0
131.08569	7.1
133.10121	14.3
135.11685	14.5
137.13252	13.2
140.30304	0.9
142.07677	1.1
143.08559	2.6
145.10118	13.5
147.11674	9.7
149.12155	1.8
149.13258	22.2
151.14870	1.4
157.10138	3.6
159.11684	12.0
161.13246	14.1
163.14804	15.8
165.16425	1.0
171.11722	2.3
173.13245	11.5
175.14819	11.5
177.09151	1.0
177.16373	13.0
179.17836	1.1
185.13190	1.9
187.14806	18.0
189.16367	9.6
191.17941	7.5
199.14812	3.0
201.16351	11.9
203.17949	8.8
205.19476	2.3
213.16365	6.7
215.17863	7.1
217.19463	10.9
227.17918	7.4
229.19530	7.6
230.92067	1.0
231.21143	4.3
241.19537	4.6
243.21074	3.5
245.22635	10.0
247.24423	1.1
253.19432	1.2
255.21045	3.7
257.22623	11.5
259.24319	1.3
267.17517	1.0
269.22668	9.3
271.24191	2.6
283.24133	7.4
297.25803	3.9
299.27481	1.4
309.25836	1.9
311.27350	3.3
337.28690	1.6
351.30389	1.2
379.33478	1.6
407.36713	100.0
408.37143	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	407.3667
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03930	1.1
55.05507	10.8
57.07067	4.4
61.69218	0.8
66.24016	0.8
67.05163	1.4
67.05495	19.6
69.07059	19.9
70.56509	2.9
70.56907	1.5
71.08620	2.0
79.05486	7.9
81.07050	41.6
83.08607	10.1
91.05462	7.1
93.07036	19.5
95.04935	1.6
95.08597	79.5
97.10152	5.5
105.07016	22.1
107.08584	33.6
109.10143	53.8
109.45956	0.9
111.11722	2.7
117.07020	2.1
119.08560	30.1
121.10127	33.6
122.10437	1.0
123.11699	23.0
125.13257	1.1
129.07011	1.8
131.08530	6.7
133.10118	32.5
135.11676	20.8
137.13245	15.8
142.07697	1.2
143.08527	3.1
145.10091	12.0
147.11664	19.3
149.13240	15.6
151.14807	2.1
153.32449	1.0
157.10114	3.9
159.11679	14.4
161.13232	19.8
163.14809	13.2
171.11679	3.5
173.13229	11.2
175.14821	12.3
177.16365	18.0
179.17938	2.5
185.13258	4.0
187.14832	8.5
189.16380	18.8
191.17946	16.6
192.18166	1.1
197.13213	1.4
199.14764	4.6
201.16362	16.4
203.17944	25.3
205.19507	5.9
213.16350	3.9
214.16939	1.1
215.17947	8.6
217.19502	25.9
219.21051	1.4
225.16330	0.9
227.17940	5.8
229.19542	13.2
231.21069	7.5
241.19463	4.9
243.21130	6.9
245.22614	2.8
255.21043	12.5
257.22635	12.0
269.22614	11.1
271.24136	2.4
283.24121	3.9
285.26059	1.2
297.25821	4.3
301.29269	1.9
309.25671	1.9
311.27414	1.7
323.27283	2.5
337.29120	1.8
351.30673	1.7
407.24182	3.9
407.36667	100.0
408.36981	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03940	2.0
55.05506	12.4
56.96551	2.5
57.07076	5.3
67.05504	20.6
69.03442	1.3
69.06713	1.5
69.07065	21.2
71.04991	1.0
71.08615	1.2
71.62841	1.6
72.08143	3.6
79.05486	11.5
81.03419	1.9
81.07055	46.9
83.04961	1.6
83.08607	10.7
84.04498	1.0
85.02923	1.2
85.06557	0.9
91.05483	9.3
93.07040	21.5
95.04961	3.3
95.08601	83.8
96.08938	1.2
97.02884	2.9
97.06535	1.3
97.10159	5.8
105.06494	0.6
105.07024	25.4
107.08588	39.5
109.02888	1.5
109.06484	1.7
109.10149	55.5
111.04385	1.2
111.11713	3.6
115.05469	1.0
117.07018	3.1
119.04955	2.2
119.08574	33.3
121.10138	30.7
122.10485	1.5
122.97713	0.9
123.04455	1.4
123.08042	1.4
123.11703	26.0
125.06043	1.0
125.09649	1.3
125.13205	1.1
127.03893	0.9
129.07010	1.4
131.08571	8.6
133.06499	1.2
133.10126	33.8
135.11685	22.2
136.12013	0.9
137.05968	1.8
137.13239	16.1
139.07471	1.0
139.11218	1.7
143.08524	4.7
144.09340	1.0
145.10115	15.9
146.10934	1.4
146.77504	0.8
147.04413	8.7
147.08006	1.1
147.11684	21.7
149.13242	16.5
151.07545	1.7
151.14830	2.7
153.01797	1.2
155.08501	1.3
157.10126	6.3
158.10910	0.9
158.94885	0.9
159.11684	17.6
161.09625	0.9
161.13254	17.8
163.03929	4.2
163.14813	13.3
167.06982	6.9
169.10194	1.2
171.11726	5.1
173.13258	11.1
175.14809	11.1
177.16371	15.6
179.17970	3.3
181.04892	0.9
183.11684	1.5
183.97856	0.8
184.26591	0.8
185.13292	4.0
187.14825	8.2
189.16379	18.5
191.17935	17.2
197.13280	1.7
199.14864	3.9
201.16405	15.0
203.17949	22.3
205.19589	5.3
207.06619	1.4
211.14774	1.1
213.16382	4.5
215.17950	11.7
217.19481	20.6
218.11861	1.6
218.19725	0.9
227.10840	1.0
227.17917	4.9
229.19540	13.7
231.21037	8.7
241.11044	0.9
241.19476	6.1
243.21082	7.3
245.11694	1.3
245.22658	2.2
253.19551	1.1
255.21088	12.2
256.21533	1.5
257.22629	10.8
269.10657	2.4
269.22604	11.8
271.24280	2.5
283.24237	4.3
287.11768	1.2
297.25830	3.7
301.14484	2.8
309.25662	1.5
311.27234	1.3
319.15491	1.2
323.27487	1.2
331.15921	1.3
349.16953	2.1
351.30319	1.1
367.17899	13.8
385.18909	3.1
389.10110	1.2
389.24051	2.1
407.15515	1.5
407.24710	6.4
407.36771	100.0
408.20276	2.0
408.37128	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.7
57.07068	5.6
62.92525	1.6
67.05502	26.6
69.07062	25.5
69.56358	9.1
69.56771	4.2
71.08623	2.5
75.73086	1.7
79.05475	10.5
81.07051	47.2
83.08609	13.4
91.05463	12.2
93.07037	25.0
95.04973	2.7
95.08598	88.3
96.08898	1.7
97.10161	6.2
105.07020	30.2
107.08587	40.5
109.06563	2.0
109.10149	65.1
111.11736	3.8
117.07019	4.2
119.08568	34.6
121.10141	31.0
123.04424	5.2
123.08099	2.7
123.11700	25.5
127.03928	7.9
131.08534	8.8
133.10130	35.9
135.08066	1.9
135.11684	22.6
137.06023	2.5
137.13220	20.2
141.07005	1.8
142.07736	2.0
143.08595	5.1
145.10129	14.1
147.11674	23.2
149.05962	2.5
149.13278	17.5
151.14850	3.5
157.10132	6.7
158.75687	2.2
159.11703	18.4
161.13257	19.0
163.14825	14.1
169.10207	2.6
171.11723	5.1
173.13222	11.3
175.14798	9.8
177.16367	22.3
178.16734	2.0
179.17961	3.3
185.13254	6.3
187.14827	12.5
189.16357	22.4
190.16469	1.7
191.17941	18.6
191.32074	1.9
197.13263	2.7
199.14841	3.7
200.39499	1.8
201.16356	18.5
203.17937	28.0
204.18253	1.8
205.19557	7.9
213.16388	7.8
215.17937	15.0
217.19472	23.6
219.21092	3.0
227.18007	6.9
229.19487	13.5
231.21094	7.4
241.19580	6.6
243.21204	7.5
255.21095	15.3
257.22595	12.3
269.22693	12.8
271.13495	2.1
271.24197	3.0
283.24173	5.7
297.25714	5.0
344.66122	1.7
381.34280	1.9
407.14374	4.0
407.19617	8.0
407.32578	4.2
407.36798	100.0
408.15070	2.3
408.37012	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	407.3668
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03946	2.0
55.05507	8.1
57.07066	8.2
58.38678	2.1
60.23717	2.5
61.55355	2.0
66.33933	2.0
67.05496	18.1
67.43990	2.3
69.07063	24.3
69.54530	4.3
69.54941	15.9
70.44410	2.1
70.68102	2.1
71.08624	3.6
79.05495	12.4
81.07050	50.5
83.08598	14.8
85.82885	1.9
87.26623	2.4
91.05479	13.2
93.07042	28.0
94.49839	2.0
95.08596	83.3
97.10172	7.3
105.07023	26.4
107.08589	41.3
107.09286	3.2
109.10152	46.5
109.10895	2.5
111.11729	4.9
117.07022	4.9
118.88058	2.1
119.08579	29.7
121.10127	32.8
123.11686	24.6
125.05952	15.7
131.08577	9.8
133.10146	24.6
135.11674	24.8
137.13231	16.5
138.88611	1.9
143.08562	4.4
145.10074	14.0
147.11690	22.7
149.13254	16.2
151.14867	5.7
157.10159	7.0
159.11693	17.3
161.13240	18.6
163.14842	10.0
169.02696	2.3
171.11740	4.3
173.13242	11.4
175.14821	9.2
177.16371	15.2
185.13316	8.5
187.14822	13.6
189.16360	23.2
191.17923	17.1
199.14844	7.5
201.16376	23.5
203.17947	23.8
209.45833	2.2
213.16379	4.5
215.16124	2.4
215.17883	11.7
217.19504	22.6
227.17976	7.7
229.19589	9.1
231.21329	2.9
239.18039	2.9
241.19580	4.8
243.21191	7.1
244.37845	2.0
245.22696	3.1
250.40991	2.5
253.00076	2.2
255.21085	11.8
257.22610	13.6
269.22632	14.5
271.24359	4.6
283.24353	3.8
286.31610	2.4
294.59637	2.3
295.05911	5.1
297.25635	4.0
337.28949	3.6
351.12338	2.3
364.31009	2.2
407.14481	2.5
407.36880	100.0
408.37109	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03936	3.4
55.05505	13.4
57.07071	7.8
57.76664	1.8
63.11905	2.0
67.05499	22.0
69.07052	23.3
69.97625	7.4
69.98048	3.6
79.05482	10.0
81.07047	42.8
83.08618	8.6
84.93939	2.1
91.05470	9.0
93.07043	25.6
95.04967	1.9
95.08600	79.7
97.10159	7.4
98.21341	3.2
103.05463	1.7
105.07021	28.4
105.07673	2.5
107.08588	40.7
107.09274	3.2
109.10150	50.2
111.11707	2.8
117.07012	4.3
119.05024	2.0
119.08571	34.8
121.02852	2.3
121.10136	31.0
123.04458	2.0
123.11694	25.8
128.06168	2.0
129.07021	2.7
131.08574	10.0
133.10120	28.7
135.11678	20.7
137.13242	18.3
142.07849	2.0
143.08545	5.8
145.10118	17.4
147.11682	24.6
149.02367	7.5
149.13258	12.2
151.14877	2.5
157.06453	2.2
157.10181	6.3
159.11684	16.2
161.13248	18.3
163.14819	13.4
169.10101	2.6
171.11732	6.7
173.13239	13.0
175.14803	11.7
177.16370	18.4
179.17935	2.1
183.11697	3.5
185.13316	4.1
187.14850	7.5
189.16388	22.2
191.17914	17.7
195.02966	6.0
199.14883	6.1
201.16426	14.1
203.17941	24.4
205.19557	4.9
211.03951	7.4
211.14793	2.2
213.05501	10.9
213.16393	4.8
215.17914	13.1
217.19476	21.7
227.18010	6.8
229.19463	13.1
231.21107	7.8
241.19568	6.2
243.21126	8.7
245.22821	3.4
252.99846	2.8
255.21078	16.8
257.22583	10.2
265.04816	2.8
269.22675	14.0
271.24298	4.3
283.05991	54.6
283.08969	2.8
283.24237	4.1
284.06396	4.7
295.05981	100.0
296.06412	8.1
297.25745	3.9
307.94598	2.2
309.25754	2.2
309.29700	1.9
311.27133	2.5
339.12225	54.0
340.12720	7.5
351.12186	31.3
352.12601	3.1
407.18710	7.4
407.32544	6.4
407.36865	96.4
408.37302	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	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	10.1
57.07062	4.3
60.25272	1.4
67.05498	17.0
69.07056	18.9
69.91989	5.3
69.92401	2.6
79.05473	7.6
81.07052	38.9
83.08607	8.3
91.05463	7.8
93.07040	17.3
95.08598	74.2
95.79279	1.3
97.10140	4.8
105.07015	19.9
107.08591	31.4
109.10143	51.6
111.11716	3.2
117.07026	2.8
119.08570	26.5
119.09336	1.2
119.12800	1.3
121.10133	26.9
123.11694	22.1
129.07060	1.2
131.08548	5.7
133.10114	28.7
135.11668	18.1
137.13245	14.5
143.08589	1.4
145.10121	12.9
147.11684	21.1
149.13254	14.8
151.14781	3.7
157.10155	2.7
157.62605	1.2
159.11665	12.4
161.13239	17.1
162.03300	1.2
163.14812	10.4
166.21776	1.3
169.30334	1.4
171.11716	4.5
172.12398	2.1
173.13255	8.9
175.14796	11.9
177.16382	14.8
179.17952	3.9
185.13156	1.9
187.14795	8.3
189.16365	18.3
191.17935	19.0
197.13220	1.4
199.14821	3.8
201.16333	13.8
203.17931	22.3
205.19496	3.7
213.16342	4.2
215.17888	7.7
217.19504	23.5
227.17963	5.2
229.19455	11.8
231.21068	9.3
241.19571	3.8
243.21066	4.5
245.22809	2.3
255.21069	11.9
257.22647	10.3
264.77618	1.4
269.22617	11.1
271.24240	2.1
283.24142	4.9
297.25839	4.3
323.27359	2.0
351.30188	1.6
371.12659	2.1
389.13669	11.7
390.14145	2.4
407.14667	8.7
407.24390	4.9
407.36697	100.0
408.25247	1.5
408.36996	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	407.3671
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03934	1.0
55.05296	0.8
55.05513	8.4
57.07070	4.3
65.03922	1.2
67.05168	1.0
67.05502	14.7
69.06721	1.2
69.07067	18.0
71.07329	1.7
71.08619	1.3
71.67983	0.6
76.42387	0.6
79.05494	6.7
81.07053	39.0
82.07371	0.9
83.08618	9.2
85.10170	1.0
91.05472	6.8
93.06464	1.2
93.07043	20.1
95.04967	1.0
95.08604	68.1
96.08904	1.2
97.10172	4.9
104.38008	0.7
105.07026	21.0
107.07857	1.5
107.08592	29.9
109.10153	41.5
111.11716	3.2
117.07008	3.2
119.08579	25.2
121.10136	30.7
123.11705	21.9
129.07004	1.2
131.08574	7.0
133.10127	23.2
135.11693	17.2
137.13248	14.0
143.08533	3.0
145.10124	11.1
147.11676	18.2
147.32649	0.7
149.13251	14.0
151.14806	3.5
157.10109	4.8
158.10928	0.9
159.11679	14.3
160.12303	0.8
161.13266	16.6
163.14828	12.6
171.11681	3.8
173.13237	8.4
174.13864	1.1
175.14824	10.5
177.16382	16.0
179.17926	2.5
181.78166	0.7
185.13301	3.5
186.13953	1.4
187.14803	8.2
189.16374	16.0
189.18060	1.0
191.17928	14.1
199.14784	4.4
200.15755	0.9
201.16373	17.0
202.16833	0.8
203.17938	22.3
205.19539	5.4
211.14749	1.1
213.16406	3.2
215.17943	11.7
217.19504	18.4
219.21082	1.7
225.16530	0.9
226.17036	1.0
227.17897	5.4
229.19498	12.0
231.21057	8.8
241.19441	5.7
243.21056	6.4
245.22646	2.3
253.19446	0.8
255.21091	9.7
257.22614	8.8
269.22617	10.8
271.24194	3.3
283.24191	4.2
285.26044	1.1
297.25699	2.7
309.25919	1.4
311.27203	2.3
323.27521	1.1
337.28867	1.4
351.30411	1.6
365.32150	1.8
407.36710	100.0
408.37061	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	407.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.8
57.07066	12.0
67.05503	21.6
69.07061	25.4
70.26357	3.5
70.26749	3.6
71.08634	4.2
79.05485	11.9
81.07050	46.0
83.08602	14.7
85.10208	1.8
88.88872	1.9
89.06033	2.1
91.05474	8.8
93.07040	22.9
95.08602	83.7
96.08963	2.6
96.21488	1.8
97.10176	7.8
105.07024	26.1
105.07653	2.8
107.08580	38.4
109.10152	45.1
111.11718	4.6
113.00014	42.5
116.98629	4.4
117.07027	3.8
118.29899	1.8
119.08570	32.2
121.10137	32.9
123.11687	25.0
131.08597	8.6
133.10124	32.2
134.99654	4.0
135.11696	24.1
137.13260	16.0
143.08543	3.7
145.10133	14.0
147.11691	20.0
149.13252	19.2
151.14804	4.0
157.10162	7.8
159.11679	14.0
161.13243	19.9
163.14783	11.6
169.02606	42.7
171.11729	6.4
172.12535	2.3
173.13280	12.1
175.11000	2.1
175.14790	12.8
177.16368	19.6
185.13312	5.3
187.14822	12.4
189.16389	19.9
191.17943	16.2
199.14923	4.8
201.16411	16.5
203.17943	29.4
205.19591	8.0
206.00920	2.0
211.14714	1.8
213.16479	5.9
215.18021	11.7
217.19513	26.9
219.21162	3.7
225.16338	2.0
227.18036	4.2
229.19507	13.7
231.21130	5.5
241.19669	6.7
243.21072	8.7
245.22580	2.6
255.21141	13.3
257.22638	12.1
269.22595	15.1
283.24380	3.7
295.06015	3.0
297.25684	2.5
323.27347	2.1
365.20050	3.2
407.21317	4.9
407.36856	100.0
408.37430	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	407.367
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03933	1.1
55.05508	9.3
55.99246	0.8
57.07058	3.9
62.97689	0.8
65.03944	0.8
67.05501	13.5
68.48630	0.9
69.07061	18.3
70.41889	3.9
71.08604	2.0
79.05476	8.5
81.03399	1.2
81.07048	37.2
83.07175	0.9
83.08612	8.6
91.05463	6.1
93.07038	18.1
95.08599	65.3
97.10161	4.8
105.07021	17.1
107.08587	33.0
109.10149	40.4
110.10482	1.3
111.11714	2.8
113.52784	0.9
117.07005	2.8
119.08566	25.6
121.10127	27.4
123.11693	23.0
125.13255	1.1
129.06992	1.5
131.08549	6.4
133.10120	25.9
135.11688	18.4
137.13232	14.1
143.08519	2.7
144.09337	1.9
145.10121	9.9
147.11684	17.3
149.13251	14.6
151.14777	2.9
157.10114	4.4
159.11691	13.5
161.13251	14.8
163.14833	12.6
171.11699	4.6
173.13255	11.3
174.14044	1.2
175.14832	11.2
177.16360	15.3
179.17912	2.3
185.13232	3.9
186.14056	1.5
187.14777	8.8
189.16368	17.2
191.17943	14.1
199.14830	3.4
201.16351	16.3
203.17953	24.2
204.18150	1.2
205.19455	5.2
213.16383	3.3
215.17911	12.2
217.19498	20.3
219.21066	2.5
227.17978	4.3
229.19547	8.7
231.21077	6.1
241.19452	4.4
243.21037	5.7
245.22630	2.5
255.21046	9.1
257.22607	7.4
269.22638	11.6
270.23074	1.0
271.24133	4.4
283.24207	4.2
285.10223	0.9
297.25793	3.4
311.27271	1.3
323.27390	1.6
407.36700	100.0
408.37003	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.05506	9.7
57.07060	3.9
67.05163	1.2
67.05496	16.0
69.07062	18.3
69.37186	5.3
69.37619	3.2
71.08608	0.9
79.05487	6.5
81.07052	37.9
82.07340	0.9
83.08607	8.9
91.05472	7.4
93.07036	17.8
95.08600	66.6
96.08934	1.3
97.10169	4.3
98.11671	0.7
98.20762	1.4
103.05487	0.8
105.07024	18.7
107.08586	29.2
107.75606	0.8
109.10145	40.1
110.10425	0.8
111.11732	3.2
115.42355	0.7
117.07004	2.9
119.08574	28.0
120.32079	0.7
121.09305	1.4
121.10139	25.5
123.11697	22.3
125.13242	1.0
129.07021	1.0
131.08569	6.7
133.09224	0.8
133.10123	23.5
135.11685	16.3
137.13240	13.9
138.22673	0.8
143.08537	3.1
144.09317	1.5
145.10100	11.3
147.11678	15.7
149.13249	13.9
151.14810	2.3
157.10138	4.1
159.11674	13.5
161.13242	16.9
162.13609	0.9
163.14812	11.4
164.82780	0.9
171.11678	3.3
172.01993	0.8
173.13223	10.1
175.14832	11.0
177.16386	15.5
179.17966	3.1
185.13260	3.2
186.14009	1.2
187.14784	9.7
188.15480	0.8
189.16373	17.0
191.17926	12.1
197.13116	1.1
199.14763	3.7
201.16379	14.4
203.17931	23.7
205.19484	6.3
213.16396	3.5
215.17931	9.6
217.19501	15.7
219.21057	2.2
227.17902	3.1
229.19476	11.3
231.21043	5.2
241.19496	4.4
243.21040	5.5
245.22610	2.1
255.21060	9.4
257.22656	8.0
269.22617	12.4
271.24228	4.0
283.23972	3.6
285.25711	1.0
297.25806	3.6
311.27353	1.8
318.67520	0.8
323.27362	1.7
351.30423	1.3
365.31757	1.2
407.36697	100.0
408.36920	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	407.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05505	10.9
57.03408	1.8
57.07061	5.2
65.03913	2.0
66.64416	1.5
67.05492	24.3
67.55525	1.2
69.03427	7.1
69.07061	25.5
71.03687	4.0
71.08611	1.5
72.08141	3.0
79.05479	14.8
81.03397	6.3
81.07048	52.2
83.04977	3.1
83.08612	10.6
85.02894	6.0
85.06522	2.8
86.09715	2.1
91.05463	15.8
93.07030	27.8
95.04964	4.4
95.08594	84.0
96.08892	1.9
97.02876	4.6
97.06549	1.9
97.10149	7.5
99.04455	2.5
103.05437	2.3
105.06300	2.1
105.07017	34.8
107.04961	3.0
107.08583	40.4
109.02869	3.1
109.06531	2.1
109.10137	52.6
111.04456	2.7
111.11734	3.2
115.05492	2.6
117.06981	4.8
119.08566	38.4
120.08098	2.4
121.02869	1.6
121.06532	3.1
121.10126	33.9
123.04436	4.9
123.08036	2.6
123.11694	29.9
125.05981	2.3
125.09638	1.6
127.03921	4.6
128.06219	2.1
129.07001	2.6
131.08545	9.7
133.06480	6.1
133.10104	34.6
133.11061	2.5
134.99605	1.5
135.08073	2.1
135.11676	25.8
137.05972	4.4
137.09653	2.6
137.13231	16.9
139.11229	1.6
143.08549	6.2
145.10115	19.2
147.04373	3.5
147.11655	25.0
149.13248	15.4
151.07541	2.9
151.14818	2.2
153.05479	2.3
157.10139	6.3
159.04375	2.5
159.08075	2.4
159.11655	19.4
161.05983	6.2
161.13234	19.2
163.03860	2.0
163.07466	1.7
163.11279	2.4
163.14789	12.8
167.07063	4.4
171.11700	7.1
173.13234	13.6
175.14816	12.1
177.01752	2.5
177.05478	7.4
177.09062	1.8
177.16374	14.5
179.18005	4.3
185.13272	5.3
187.07547	4.0
187.14755	11.7
189.05505	4.1
189.16391	19.0
191.17921	16.2
195.08061	3.5
195.11623	2.2
199.14877	4.9
201.16379	15.0
203.06990	4.6
203.17943	23.2
205.08636	2.4
205.19510	6.4
207.06480	17.3
208.06966	2.2
213.05464	3.0
213.16432	3.7
213.73109	1.5
215.06996	1.8
215.10643	1.9
215.17879	10.5
217.19504	24.3
219.21103	2.3
227.10645	2.6
227.17896	3.7
229.19427	12.0
231.21112	5.4
237.02858	1.6
241.19562	4.7
243.21135	6.5
245.11691	20.2
255.21095	11.6
257.22626	10.7
269.22687	8.9
271.24213	2.5
283.24319	4.2
293.15634	1.7
309.26160	2.0
318.09000	2.4
351.30466	2.6
361.00137	2.6
363.08725	1.9
389.10172	2.2
389.16400	2.1
407.10693	11.7
407.15576	4.3
407.25381	5.9
407.36768	100.0
408.11533	3.3
408.24908	1.8
408.37057	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	407.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20327	3.9
55.05516	27.9
55.14644	4.8
57.07074	26.0
59.86049	4.5
59.93361	4.4
67.05504	28.2
69.07061	47.0
69.95005	4.2
70.94718	5.2
70.95043	10.0
71.08619	14.2
73.34769	4.1
79.05475	14.4
81.07055	65.6
83.08611	36.4
85.10167	8.7
91.05489	10.4
93.07047	27.9
95.04946	5.0
95.08604	71.1
97.10162	18.6
99.04449	83.2
105.07018	24.4
107.08595	29.0
109.06491	4.8
109.10150	55.4
111.11692	10.8
113.05965	5.2
119.08553	22.9
121.10125	22.4
123.08096	8.5
123.11694	25.5
125.05994	91.2
131.08536	10.3
133.10126	22.8
135.11769	22.0
137.05954	6.3
137.13248	17.1
139.07552	7.2
143.08516	5.5
145.10112	11.7
147.11667	17.3
149.13240	15.3
157.10074	9.3
159.11676	13.2
161.13280	12.9
163.14778	9.3
171.11670	12.2
173.13290	12.1
175.14796	9.4
177.16402	5.4
185.13272	7.0
187.14841	6.2
188.00085	6.6
189.16376	9.2
193.12128	4.7
201.16386	7.3
213.16284	6.7
215.18039	5.7
227.17868	7.8
229.19574	6.3
241.19447	6.2
245.22679	6.0
257.22647	9.3
269.22751	9.1
371.32974	7.2
389.34140	100.0
407.36661	85.3
408.17538	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	407.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01863	2.3
55.05511	14.3
57.03434	1.3
57.07076	6.8
67.05503	16.8
69.06724	1.6
69.07069	23.5
69.90261	5.9
71.08616	4.1
72.84274	0.9
73.13438	0.9
79.05476	3.3
81.07055	13.2
83.04990	1.0
83.08614	14.7
84.69851	0.8
85.10175	2.0
90.01124	0.8
91.05480	7.0
91.48089	0.9
93.07040	49.3
95.04959	4.0
95.08605	43.8
96.08923	1.0
97.06532	2.1
97.10157	7.8
105.07040	4.9
107.08595	11.0
109.10159	10.7
111.08077	23.6
111.11700	3.9
112.99996	3.4
119.08585	9.7
121.06502	3.6
121.10140	9.4
123.08027	1.6
123.11721	5.7
125.05963	4.1
125.09638	2.3
125.13240	0.9
127.07541	3.6
131.08571	2.4
133.10123	6.2
135.08049	2.5
135.11676	4.4
137.09621	1.0
137.13249	3.5
139.07536	25.8
145.10130	3.8
147.11652	4.1
149.13214	3.6
151.11145	2.5
153.09103	17.1
157.08580	8.1
157.10004	2.1
159.11691	3.6
161.13271	4.6
163.14822	4.0
165.09131	1.2
167.10643	8.1
169.02617	3.6
171.11684	1.4
173.13231	2.3
175.14748	3.4
177.16396	3.1
179.10620	2.2
181.12238	8.8
187.14833	1.8
189.16341	3.5
191.17920	3.1
193.12286	1.9
195.13779	6.9
199.14723	0.9
201.16414	3.6
203.17947	3.6
207.13829	5.3
209.15347	5.6
212.26018	1.0
215.18042	1.4
217.19543	2.0
221.15245	2.2
223.16939	1.2
229.19409	1.7
237.18454	1.2
243.21086	2.5
251.20155	1.7
255.21132	1.7
257.22580	1.8
262.24017	0.9
263.20068	1.2
265.21570	3.0
269.22516	1.4
279.23291	1.3
282.38440	1.0
287.21539	1.1
297.25720	2.3
379.57663	0.9
389.34155	100.0
390.34399	4.7
407.35403	39.9
408.35626	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	407.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95502	2.9
53.03937	4.2
55.01853	11.6
55.05510	40.1
57.07073	31.4
63.30161	3.5
64.38127	3.4
67.05495	28.4
69.07063	100.0
69.36690	7.8
69.37103	30.1
71.04962	4.1
71.08625	14.9
79.05466	9.4
81.07052	68.8
81.74390	3.2
83.08620	48.8
85.10181	8.2
89.06006	6.1
91.05477	11.1
93.07041	19.1
93.35367	3.4
95.04947	7.2
95.08601	90.9
97.06540	6.1
97.10159	25.9
98.21514	6.2
99.04440	3.3
105.07032	20.0
107.04987	3.5
107.08588	30.7
109.06537	7.3
109.10155	51.0
111.04409	5.0
111.08089	4.3
111.11706	17.9
117.38830	3.3
119.08571	24.3
121.06489	4.5
121.10139	19.5
121.82882	3.4
123.04370	3.7
123.08057	11.6
123.11712	31.0
125.02342	36.7
125.05992	13.6
125.13257	8.2
127.03909	26.6
129.84372	4.4
131.08545	14.0
131.94958	3.3
133.10124	13.4
135.08063	7.2
135.11700	13.6
137.09602	4.0
137.13266	20.2
139.03880	12.8
139.07526	12.6
140.85265	3.3
141.05476	3.8
143.03380	5.6
143.08534	8.6
145.10107	19.1
147.08037	8.8
147.11664	11.4
149.09554	8.6
149.13255	9.0
151.07544	6.1
151.11151	4.1
151.14835	8.3
151.51854	3.9
153.05437	10.1
157.10098	8.7
159.11682	9.7
161.13214	10.5
163.07542	5.3
163.11133	4.3
163.14824	9.7
165.09177	6.3
167.07027	12.5
169.08563	8.9
171.11661	6.8
173.09621	4.2
173.13264	11.1
175.07550	7.6
175.11128	4.8
175.14804	5.3
177.09090	8.3
181.08606	15.8
183.10150	7.1
185.13213	8.4
187.14833	15.0
189.16397	5.7
191.10696	4.8
191.18050	3.9
193.08548	9.7
195.10097	9.3
196.12349	3.6
201.16472	4.5
203.17903	5.8
205.12335	3.6
207.10258	6.3
213.16342	5.0
215.17946	5.8
217.15921	5.1
223.13324	3.6
235.13300	4.9
237.14835	6.0
245.15364	5.0
249.14830	9.8
251.16441	10.0
263.16302	17.2
263.27219	4.5
265.18066	5.8
279.19522	7.9
295.05972	22.7
319.22629	8.2
321.24185	5.6
333.24088	8.5
343.29892	8.0
351.12360	5.1
354.90320	3.6
371.29803	18.7
389.30502	95.1
390.30844	4.0
407.18063	3.3
407.33035	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01866	10.4
55.05510	13.7
56.19765	1.6
57.03424	3.7
57.07068	11.9
57.23501	1.7
62.54781	1.5
64.13197	1.7
66.69222	1.5
67.05501	19.6
69.07065	23.1
70.71317	6.7
71.08629	8.6
74.88154	1.6
79.05501	4.1
81.03423	9.6
81.07055	56.0
83.08616	21.0
85.10166	5.8
91.05481	2.9
93.07038	7.0
95.08603	57.9
97.10173	12.6
99.04468	1.6
105.07039	4.7
107.08596	9.2
109.02863	14.2
109.10153	31.9
111.08092	1.8
111.11703	6.8
113.06006	1.6
115.03940	7.4
119.08575	6.3
121.10175	5.2
123.04450	3.0
123.11703	20.3
125.02377	4.2
127.03909	100.0
128.04276	1.9
131.08534	2.4
133.10109	6.8
135.11699	3.6
137.13281	16.2
139.03911	2.3
141.05426	4.5
145.10130	4.8
147.11690	2.4
149.13225	4.1
151.14830	5.1
159.11650	3.5
161.13203	4.1
163.14893	2.2
165.16444	3.1
167.07050	1.8
169.08609	5.2
175.14812	2.1
177.16357	1.9
183.10164	5.7
185.13332	2.7
187.14856	4.6
189.16458	2.2
191.17929	3.0
195.10249	3.7
196.49309	1.7
197.11736	5.8
201.16527	3.1
203.17976	2.9
205.19498	2.0
209.11646	2.4
211.13342	4.3
217.19536	3.1
225.14796	3.7
227.17979	3.1
239.16446	4.4
251.16432	2.7
253.18024	7.6
263.16467	5.9
265.18036	3.8
267.19495	3.6
279.19547	3.9
281.21640	1.7
293.21179	3.2
305.21091	2.1
307.22589	2.4
309.24280	3.7
321.23718	2.0
333.24039	3.1
389.30429	25.0
389.34668	2.6
407.31528	61.4
407.36652	15.9
408.32016	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.8
57.07063	0.7
61.09048	0.3
63.08219	0.3
67.05503	2.2
69.03433	0.4
69.07063	2.5
70.25752	1.3
74.20337	0.3
79.05465	1.4
81.03409	0.3
81.07053	4.6
83.04949	0.3
83.08605	0.9
83.89272	0.3
89.90692	0.3
91.05463	1.2
93.07041	2.4
95.04951	0.4
95.08601	7.9
97.10153	0.7
105.07024	2.5
107.08588	3.7
109.10155	5.2
110.95667	0.3
119.08585	3.4
120.63918	0.3
121.10114	3.4
123.04439	0.5
123.11703	2.6
131.08562	0.9
133.10133	3.5
135.11671	2.3
137.13229	1.8
143.08598	0.5
145.10109	0.9
147.11678	3.0
149.13226	1.6
157.10072	0.5
159.11667	1.9
161.13264	1.7
163.14796	1.5
171.11798	0.6
173.13239	1.0
175.11227	0.3
175.14833	1.1
177.16380	1.8
185.13246	0.6
187.14835	0.9
189.16331	1.8
191.17946	1.6
199.14777	0.3
201.16380	1.4
202.58157	0.3
203.17937	2.6
205.19489	0.5
207.06567	0.4
213.16309	0.4
215.17949	1.1
217.19524	2.2
225.01952	0.3
227.17958	0.5
229.19550	1.2
231.21065	0.4
241.19441	0.4
243.21118	0.4
245.11700	0.6
255.21060	0.9
257.22614	0.9
269.22498	0.8
307.05997	0.4
319.18924	0.5
321.16711	4.2
341.52161	0.3
407.24023	100.0
407.36316	10.7
408.24316	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
67.05485	0.9
69.07055	1.1
70.25196	0.7
79.05499	0.3
81.07051	1.9
83.08610	0.5
91.05479	0.4
93.07034	1.3
95.08035	0.3
95.08601	3.3
97.10176	0.2
98.20887	0.3
105.07021	1.3
107.08588	1.4
109.10152	2.4
111.11667	0.2
111.33788	0.2
113.04671	0.2
119.08575	1.7
121.10117	1.5
121.26724	0.2
123.11707	1.0
125.45232	0.2
131.08530	0.3
133.10141	1.4
135.11711	0.8
137.13231	0.6
143.08539	0.2
145.10121	0.4
147.11696	1.4
149.13255	0.6
157.10234	0.4
159.11659	1.1
161.13231	1.2
163.14871	0.6
171.11748	0.3
173.13278	0.5
175.14832	0.5
177.16354	0.9
187.14845	0.3
189.16353	1.0
191.17938	0.8
199.14709	0.3
201.16371	0.6
203.17940	0.9
213.92096	0.2
215.17960	0.4
217.19511	1.3
227.17827	0.4
229.19476	0.5
231.21025	0.4
243.21153	0.4
255.21028	0.5
257.22598	0.7
269.22607	0.6
271.24280	0.3
293.18179	0.2
319.18884	0.2
321.16760	3.9
337.28745	0.2
386.88745	0.2
407.24020	100.0
408.24246	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	407.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.5
56.96549	1.1
57.07055	2.1
65.93579	0.9
67.05508	6.9
69.07069	12.2
71.62410	1.4
78.56269	1.0
79.05505	5.3
81.03416	1.1
81.07045	13.7
83.04470	2.0
83.04975	40.4
83.08617	3.7
83.25591	1.0
85.02917	1.1
91.05470	4.6
93.07041	6.8
95.08609	21.5
95.09161	1.8
96.08926	1.3
97.10172	1.8
105.07021	7.0
107.08567	11.6
109.10147	14.9
109.83077	0.9
117.07036	1.4
119.04910	1.5
119.08575	9.5
121.02864	2.0
121.10128	7.2
123.04399	2.6
123.11698	6.0
127.03901	2.4
129.07045	1.5
131.08572	2.9
133.10110	10.4
135.04416	1.2
135.08095	1.0
135.11729	6.5
136.11935	1.1
137.06004	1.2
137.13272	4.5
143.08548	1.7
145.10091	5.2
147.04402	4.3
147.08098	1.4
147.11682	5.1
149.02383	1.1
149.05963	1.1
149.13248	5.4
150.83363	0.9
151.03940	2.9
151.14938	1.1
157.10187	1.9
159.11684	4.7
161.13239	3.1
163.03888	0.9
163.14828	3.8
171.11705	2.4
173.13225	2.9
175.14818	3.1
177.16383	4.6
185.06079	1.6
185.13271	1.4
187.14793	2.4
189.09271	1.2
189.16345	5.5
191.17978	4.0
199.14818	2.0
201.16412	5.2
203.18016	6.6
215.03485	1.2
215.18120	2.6
217.19470	4.7
223.07642	1.1
227.18036	1.7
229.19492	1.5
231.21011	1.2
233.04404	1.3
241.19577	1.8
243.21092	1.8
253.12311	3.2
255.06503	9.3
255.21103	2.3
257.22711	2.3
267.06427	2.2
267.09045	1.5
268.07275	3.0
269.08246	1.4
269.22659	2.8
283.06104	7.0
285.10107	3.3
286.10437	2.1
287.09213	1.4
295.05966	4.8
307.06058	3.0
309.07520	3.6
321.07547	2.7
321.11270	2.7
323.09280	1.4
323.12735	25.7
331.06100	1.1
335.12656	1.1
337.07172	1.5
337.10736	2.1
339.12256	3.6
349.10776	1.7
351.12463	5.4
363.12119	1.7
391.11438	2.1
392.12408	2.4
407.14819	100.0
407.18765	40.4
407.36945	24.3
408.14752	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.185
Annotation	Erythrivarone B
Peak:m/z	Relative Intensity
53.03920	0.2
55.05477	0.1
67.05479	0.1
69.07027	0.1
70.89395	0.3
75.82896	0.1
76.55583	0.1
81.03410	0.6
81.07015	0.2
85.74533	0.1
91.05434	0.2
93.07065	0.1
93.81900	0.1
95.08559	0.2
105.06989	0.3
107.04903	0.2
107.08586	0.1
109.02229	0.1
109.02881	1.4
109.10114	0.2
114.25860	0.1
119.04092	0.1
119.04930	2.0
119.08543	0.1
120.12950	0.1
121.02860	2.3
121.10100	0.2
127.58208	0.1
129.51056	0.1
131.08525	0.1
133.10095	0.2
149.02336	0.1
152.06210	0.1
153.06940	0.2
155.08534	0.3
157.06435	0.2
165.07010	0.7
167.03400	0.2
169.06387	0.1
177.01820	1.9
183.08040	0.3
185.05869	0.2
193.06313	0.2
195.02876	8.6
196.03041	0.1
211.07518	1.0
213.05400	0.2
221.05873	0.1
221.58420	0.1
239.07007	0.5
249.05394	0.2
260.34702	0.1
267.06482	0.6
277.04865	0.2
283.06104	0.2
295.05972	100.0
296.06296	2.6
347.03635	0.1
351.12231	26.2
352.12677	0.7
407.18500	5.7
407.33185	0.2
408.19037	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	407.1488
Annotation	Asperlicin C
Peak:m/z	Relative Intensity
55.01875	0.5
55.05511	1.1
57.07084	0.4
58.01472	0.4
65.03966	0.5
67.05510	3.1
69.07072	3.1
70.42178	1.5
74.27438	0.4
79.05482	0.9
79.17384	0.4
80.76469	0.4
81.07053	6.3
83.08614	1.7
91.05467	3.1
91.20778	0.4
93.07029	2.8
95.04991	0.5
95.08600	8.9
97.10189	1.1
105.07022	2.5
107.04976	1.7
107.08599	4.1
109.06522	0.5
109.10153	5.5
111.11723	0.6
114.79779	0.4
115.05504	0.6
117.07041	1.8
118.04207	0.5
119.04965	0.8
119.08557	3.3
121.02859	2.2
121.10122	3.4
123.04470	0.8
123.11702	2.5
127.03936	0.7
129.07034	1.8
131.08592	1.7
133.10120	4.0
135.08090	0.7
135.11662	2.0
137.13268	1.6
141.06973	0.5
145.02866	0.4
145.06487	0.7
145.10120	1.4
147.11705	1.9
149.13286	1.5
151.14813	0.6
153.06989	0.7
157.06493	1.5
157.10098	1.0
157.37746	0.5
159.08107	0.5
159.11655	2.2
161.13280	1.4
163.14821	1.3
169.06514	0.8
169.10263	0.6
171.04472	0.8
173.13345	1.3
175.14845	1.0
177.16400	1.0
181.06570	0.5
183.11705	0.5
185.05991	1.8
185.13341	0.6
187.07661	0.5
187.14862	1.4
189.05423	2.1
189.16428	1.7
191.18010	0.8
195.02936	1.3
199.14792	0.5
201.16414	1.1
203.07124	1.2
203.17964	2.2
204.09233	0.6
205.19475	0.6
213.05490	2.8
213.16441	0.7
215.08607	0.6
215.17963	1.0
217.19502	2.2
219.11696	0.7
225.05296	0.5
229.10100	2.1
229.19563	1.1
231.06268	0.9
231.08128	1.4
231.21147	0.8
232.08797	5.0
233.09537	0.6
242.07326	0.5
243.21057	0.8
245.12898	0.4
245.22784	0.6
247.11189	1.5
255.21129	1.2
257.09766	0.5
257.22577	1.1
260.08286	2.7
261.09036	0.7
269.04498	0.5
269.22629	1.3
274.09720	0.6
275.10703	3.8
277.08527	0.8
283.06042	0.8
283.24261	0.5
287.23166	0.4
292.07294	0.9
295.05981	17.4
296.06223	1.0
303.10141	13.1
305.07968	0.9
306.08932	0.6
307.06070	2.6
307.09711	2.6
309.07651	1.0
313.08533	0.7
318.08826	0.5
321.07529	1.0
331.09628	57.7
332.10013	2.9
333.07593	2.4
333.11050	0.9
334.08417	2.7
335.09076	0.5
349.10690	100.0
350.11115	4.6
351.12238	1.0
365.13010	1.1
389.13611	1.2
407.14816	72.7
407.36835	9.3
408.15091	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.05521	12.3
60.05645	1.6
67.05492	5.1
69.03433	3.1
69.07060	5.5
70.06583	2.9
70.60220	4.5
71.04985	5.4
72.08151	6.9
79.05488	3.1
81.03409	2.5
81.07053	5.2
83.04969	9.1
83.08623	11.0
85.02895	4.8
85.06535	3.4
91.05473	2.9
92.54475	1.1
93.07045	5.0
95.04967	100.0
95.08597	4.1
96.05278	1.8
97.02884	3.1
97.06535	16.1
97.10112	1.8
98.62253	1.2
99.04460	19.5
105.07018	3.9
107.08596	7.0
109.06494	2.9
109.10143	7.7
111.08058	3.7
114.10279	4.9
119.04899	1.2
119.08595	2.1
121.10136	5.7
123.08074	4.0
123.11682	1.7
124.08411	2.3
125.09631	4.0
127.03891	2.1
131.08612	3.0
131.12903	1.6
133.10126	10.8
135.08060	3.1
136.14948	1.4
137.09641	1.9
145.02817	1.3
145.10159	1.7
147.04410	6.2
147.11656	4.3
149.13255	3.6
151.11195	14.6
153.09105	27.8
159.04449	1.7
161.02318	3.2
163.03914	9.7
163.14871	2.5
167.07028	8.3
167.14339	15.8
168.07359	1.2
173.02403	7.0
173.13293	6.3
177.05501	2.5
191.14276	9.5
203.09032	1.2
209.15363	93.4
210.15771	2.6
215.06972	11.6
227.16454	6.4
259.09622	10.8
277.10593	3.1
340.04990	1.4
371.20428	2.2
372.19217	1.9
389.21808	1.9
407.22906	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.8
55.05500	4.5
57.03433	4.1
57.83464	1.6
59.04994	3.1
61.02916	2.3
63.15311	1.6
65.18423	1.4
67.05486	2.6
69.03408	7.1
69.07066	6.9
69.52037	13.0
70.06571	6.2
71.04985	4.0
72.00706	1.5
72.08151	14.2
79.05483	8.0
81.03400	4.2
81.07054	13.3
83.04973	2.1
83.08628	3.4
84.08168	2.7
85.02905	17.5
85.06531	8.0
86.09690	3.2
91.05473	6.8
93.07030	9.0
95.04964	16.7
95.08596	8.5
97.02879	5.1
97.06527	29.8
99.04478	4.7
99.08089	3.3
105.07026	13.4
107.04975	2.3
107.08591	15.4
109.02876	2.0
109.06509	32.0
109.10126	12.0
110.02419	2.1
111.08081	3.0
114.10279	5.6
115.07566	6.4
117.06924	2.6
119.04957	2.8
119.08578	8.5
121.02820	2.2
121.06484	1.6
121.10143	25.7
123.08036	3.7
123.11700	5.1
125.09585	1.8
127.03912	26.6
131.08583	11.2
131.12935	1.7
133.10126	53.3
134.10429	2.2
135.08025	5.9
135.11687	3.3
137.05965	2.5
137.09634	2.9
139.11150	4.3
143.08545	2.5
145.02843	2.6
145.04932	3.0
145.10124	3.1
147.04430	10.3
147.11664	23.2
148.04712	2.2
149.09605	2.2
149.13246	7.1
151.11163	5.6
152.07014	2.2
153.09084	9.6
157.10867	2.0
158.10904	2.8
161.02338	4.1
163.03905	14.3
163.14833	4.6
163.37289	1.5
165.12759	3.8
167.07011	6.3
168.07336	3.3
171.10132	3.0
173.02338	5.3
173.13235	30.3
177.05440	3.0
181.05025	2.7
191.14296	48.5
209.15344	69.6
210.15787	3.5
215.06966	16.1
227.16402	100.0
228.16734	4.6
250.04225	2.4
259.09537	12.5
269.82724	1.7
271.06009	7.3
277.10641	5.0
389.21844	6.7
399.19315	1.7
406.16348	3.0
407.22797	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01862	4.1
55.05493	9.3
57.03437	4.6
57.07065	6.7
58.99570	4.5
67.05510	13.7
69.03412	20.4
69.07053	14.3
69.74028	12.7
69.74438	5.7
70.06580	6.6
71.04984	7.3
72.08150	27.6
76.02225	14.1
79.05488	12.9
79.37409	2.5
81.03437	6.4
81.07051	23.0
83.04970	6.0
83.08618	5.6
84.04493	18.4
84.08171	4.1
85.02902	20.6
85.06542	52.3
86.00639	3.1
86.09694	5.4
86.14883	3.0
87.02695	3.4
87.04427	4.2
89.10801	6.7
91.05476	21.6
93.07056	17.5
95.04961	4.9
95.08600	18.3
97.02891	3.4
97.06534	7.2
98.09692	7.8
99.08052	5.1
102.05501	4.2
105.07030	25.1
107.04945	6.1
107.08599	23.4
109.06488	5.0
109.10127	12.6
111.04436	4.0
113.05956	4.5
116.01730	13.3
117.07005	4.4
119.04916	4.7
119.07779	5.5
119.08572	61.5
121.06482	8.7
121.10133	19.4
123.08053	5.5
123.11691	3.6
125.05941	3.3
125.09591	6.2
127.03920	36.1
130.05014	3.2
131.08565	34.9
133.10123	52.5
135.08009	6.2
135.11655	8.8
137.09613	9.5
143.08598	3.9
144.01096	3.0
145.04984	3.6
145.10120	18.5
147.04402	23.3
147.11664	13.4
149.09627	34.4
149.13313	5.0
151.14738	5.4
156.08391	11.0
157.06815	4.6
158.10858	5.8
162.02191	14.1
163.03893	6.1
163.11143	11.7
163.14822	3.9
165.09093	3.1
167.06998	13.6
167.10654	14.6
172.03922	3.6
173.09576	5.1
173.13228	16.3
174.09459	7.8
175.14819	100.0
176.15175	5.8
177.09488	3.0
179.04807	7.9
188.01683	17.6
189.02254	3.4
190.03166	3.3
191.10648	34.3
191.14288	42.3
193.12166	6.0
193.15855	3.8
209.11714	37.4
209.15298	20.1
212.88365	2.8
216.01144	30.6
218.02686	8.2
227.12773	91.2
244.07977	5.8
259.11124	58.0
262.01620	12.4
273.03253	16.7
277.16898	2.9
286.37152	2.8
319.03757	35.9
331.12988	4.4
388.23141	7.1
390.11099	6.8
407.07733	7.5
407.13733	28.6
407.22766	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05500	6.5
57.03405	3.7
60.05634	3.9
67.05499	4.4
69.03413	10.7
69.07056	7.5
69.38763	30.5
70.06591	16.0
71.04972	3.1
72.08151	40.4
76.02206	3.1
79.05475	6.0
81.03395	7.4
81.07072	17.7
82.24008	2.9
83.04967	5.2
84.08120	10.9
84.63961	2.7
85.02908	19.3
86.09686	7.5
87.04451	9.2
89.10767	7.7
91.05464	7.7
93.07043	17.3
95.04958	9.9
95.08556	3.3
97.02903	6.9
97.06557	5.1
98.06040	4.4
98.09657	3.5
105.07024	14.3
107.04936	8.2
107.08548	7.9
109.02856	4.3
109.06496	7.8
111.04400	3.2
112.07696	2.7
114.10271	6.1
115.08634	4.2
117.06953	4.7
119.04965	8.5
119.08523	5.5
121.06493	3.4
121.10132	52.4
123.04440	3.2
123.08099	4.3
123.11691	65.0
126.09108	2.7
127.03927	37.0
129.10211	7.5
131.08534	5.1
133.10103	14.9
135.08080	3.9
137.09583	3.1
139.11166	3.1
145.06461	3.5
147.04387	35.5
147.07925	2.8
147.11650	10.0
149.09593	23.5
151.11160	35.2
153.09120	3.7
157.10855	4.9
163.03879	8.7
164.64188	3.0
165.12727	9.8
167.07028	45.6
167.10661	94.5
169.06349	3.9
173.13203	7.5
175.07504	5.0
177.05380	8.9
177.09090	9.3
184.03943	4.3
187.07542	4.7
188.01637	5.1
191.14308	8.1
193.12202	4.1
197.05841	3.8
200.04660	6.3
209.11729	14.7
209.15350	23.3
215.07014	22.2
216.01131	19.1
218.02759	6.0
218.11714	3.6
227.12772	10.8
227.16402	100.0
259.09537	8.9
262.01782	5.0
272.69073	2.7
273.03287	4.8
319.03836	18.5
322.07974	3.1
363.20212	3.6
388.23032	3.7
389.13293	5.4
389.21591	6.8
390.11163	5.1
405.75488	3.1
406.10223	14.7
407.07843	7.6
407.13760	14.6
407.18405	2.5
407.22739	39.3
430.28632	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95533	0.9
55.01854	1.4
55.05505	10.2
56.28326	0.8
56.46904	0.7
57.03429	2.1
57.88889	0.7
59.24140	0.7
61.02910	1.0
65.03954	0.9
67.05489	3.4
69.03432	6.1
69.07053	1.6
69.31241	2.2
69.31662	6.8
70.06580	2.5
71.04981	3.8
72.07842	0.8
72.08150	7.7
73.02943	0.8
79.05472	2.2
81.03400	2.6
81.07056	4.8
83.04977	10.4
83.08614	9.5
84.08125	2.1
85.02895	11.8
85.06544	3.7
86.09682	2.0
87.04460	1.1
90.09222	0.9
91.05451	4.8
93.06514	0.8
93.07014	4.3
95.04960	61.0
95.08591	2.5
97.02899	3.9
97.06504	2.2
97.10178	1.1
98.05984	1.1
98.20697	1.7
99.04446	18.6
103.03954	1.0
105.07020	3.3
107.04951	1.5
107.08566	7.0
109.02863	4.5
109.06502	3.4
109.10136	4.0
110.02400	0.9
111.04411	1.4
111.08082	2.8
115.08738	0.8
118.06550	1.4
118.20179	0.8
119.04939	4.8
119.08561	2.2
120.08092	2.9
121.02856	1.9
121.06488	1.2
121.10140	7.3
123.11693	5.0
124.03963	1.8
125.09620	2.6
127.03909	46.5
129.05508	1.0
131.08545	2.9
133.10121	9.1
135.08041	1.1
137.05984	1.5
139.11201	1.7
145.04877	1.5
145.10088	2.3
147.04387	17.9
147.11679	3.4
148.04726	0.9
149.13232	2.9
151.11176	13.5
153.09099	24.7
163.03893	3.1
163.11183	1.2
163.14816	2.0
167.07028	2.9
167.14304	14.1
168.07376	1.1
173.13239	6.4
175.14793	4.8
181.04909	1.9
187.10706	0.9
191.14285	9.7
193.15915	4.7
195.02730	1.0
203.03371	0.9
209.15347	100.0
210.15746	2.3
215.03453	0.9
215.07008	1.7
227.16428	4.8
236.12825	2.2
295.06058	1.2
307.06000	0.9
309.07321	1.7
322.08063	1.8
323.08926	1.5
333.07458	1.8
334.07727	0.8
347.08682	1.0
350.10995	1.1
351.08380	1.2
352.25662	0.9
361.06845	1.7
371.20367	1.3
378.10278	1.4
379.08078	3.1
388.14490	1.2
389.13559	1.0
406.10004	14.3
406.15375	1.8
407.07541	4.1
407.11795	1.2
407.22751	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	406.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97434	0.7
51.07972	0.7
53.03939	0.8
55.05503	1.8
55.28883	0.7
61.02905	1.0
63.24219	0.9
65.03971	0.8
67.05485	1.5
69.03417	2.3
69.07045	1.6
70.06583	4.6
70.79118	1.7
70.79419	0.9
71.04972	0.8
72.08150	3.7
73.02916	0.8
79.05509	1.4
81.03409	1.2
81.07060	1.8
84.08128	2.2
85.02887	6.9
86.09721	1.1
86.33018	0.7
87.04455	0.8
91.05443	1.6
93.07022	1.7
95.04973	1.8
95.08585	1.5
97.02872	2.9
97.06445	0.9
101.05902	0.7
105.07009	1.8
107.04951	7.3
107.08576	0.8
109.02879	1.8
109.06529	1.1
110.02386	0.7
112.07591	1.7
113.06015	1.5
117.07019	2.3
119.04953	1.5
119.08586	1.1
121.10151	4.1
123.04429	1.5
123.08025	1.2
123.11681	4.1
124.05205	1.1
127.03908	5.2
129.10280	1.0
131.04921	0.9
131.08578	0.9
140.07025	1.1
145.04968	1.1
145.06470	3.3
147.04424	3.8
147.11694	1.7
148.06134	0.7
149.09592	4.0
151.11183	2.8
152.04601	0.7
155.07027	1.8
156.93591	0.9
165.12752	1.2
167.07031	100.0
167.10696	4.6
168.07368	3.4
175.14812	1.5
177.05487	1.0
177.09102	11.6
187.07471	0.8
191.14243	1.5
209.11719	25.4
209.15346	4.9
210.12024	1.3
227.12794	15.6
227.16275	5.3
406.10944	1.9
407.08432	1.1
410.63309	0.9
429.17267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97434	0.7
51.07972	0.7
53.03939	0.8
55.05503	1.8
55.28883	0.7
61.02905	1.0
63.24219	0.9
65.03971	0.8
67.05485	1.5
69.03417	2.3
69.07045	1.6
70.06583	4.6
70.79118	1.7
70.79419	0.9
71.04972	0.8
72.08150	3.7
73.02916	0.8
79.05509	1.4
81.03409	1.2
81.07060	1.8
84.08128	2.2
85.02887	6.9
86.09721	1.1
86.33018	0.7
87.04455	0.8
91.05443	1.6
93.07022	1.7
95.04973	1.8
95.08585	1.5
97.02872	2.9
97.06445	0.9
101.05902	0.7
105.07009	1.8
107.04951	7.3
107.08576	0.8
109.02879	1.8
109.06529	1.1
110.02386	0.7
112.07591	1.7
113.06015	1.5
117.07019	2.3
119.04953	1.5
119.08586	1.1
121.10151	4.1
123.04429	1.5
123.08025	1.2
123.11681	4.1
124.05205	1.1
127.03908	5.2
129.10280	1.0
131.04921	0.9
131.08578	0.9
140.07025	1.1
145.04968	1.1
145.06470	3.3
147.04424	3.8
147.11694	1.7
148.06134	0.7
149.09592	4.0
151.11183	2.8
152.04601	0.7
155.07027	1.8
156.93591	0.9
165.12752	1.2
167.07031	100.0
167.10696	4.6
168.07368	3.4
175.14812	1.5
177.05487	1.0
177.09102	11.6
187.07471	0.8
191.14243	1.5
209.11719	25.4
209.15346	4.9
210.12024	1.3
227.12794	15.6
227.16275	5.3
406.10944	1.9
407.08432	1.1
410.63309	0.9
429.17267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05495	2.5
56.05030	5.9
57.03429	4.7
58.99311	0.9
58.99584	9.2
60.28761	0.8
68.05024	1.4
69.03413	1.0
69.07072	1.7
69.41106	1.1
69.41509	5.4
70.02958	0.7
70.06587	4.9
71.04982	1.0
72.08157	6.1
73.01123	1.4
74.00658	1.1
76.02225	19.7
76.03983	1.7
79.05490	3.4
80.04995	0.8
81.03400	1.2
81.07050	16.6
83.06080	1.4
84.04500	21.8
84.08142	3.0
85.01135	3.1
85.02892	3.2
85.06506	0.8
86.00652	4.5
86.06021	0.9
86.09693	1.9
86.99042	6.2
87.02690	6.0
88.02209	2.0
91.05473	1.1
93.07027	1.2
94.06567	0.7
95.04987	0.7
95.08598	4.3
96.08110	1.2
97.01111	0.8
97.02875	1.4
97.06511	1.9
98.06057	1.3
98.09691	11.0
98.97589	0.7
99.05559	0.9
99.08099	5.3
102.05523	4.1
105.07012	4.0
107.04962	1.4
107.08601	0.8
109.02863	1.2
109.10143	0.7
110.09653	2.3
112.03951	3.3
112.07620	3.3
113.04221	7.0
114.03712	0.9
115.05755	1.8
116.00871	1.1
116.01673	18.3
119.04921	1.5
120.50391	0.6
121.10133	2.6
122.09670	1.3
123.08087	1.5
127.03916	2.0
127.05756	0.8
128.06248	0.7
129.06548	2.9
130.05002	7.4
130.06868	3.6
130.08604	1.5
131.08577	1.2
133.10101	1.8
138.09106	0.8
139.05763	1.6
140.07092	2.2
142.03204	2.1
143.02725	1.3
144.01126	7.1
145.06877	0.9
147.04379	4.2
151.03952	0.8
156.08412	20.0
156.10175	10.1
157.06812	7.2
161.05919	0.9
162.02196	18.7
165.09045	0.6
167.07039	4.2
174.02135	0.6
174.09476	11.9
175.14738	1.0
177.05473	2.1
179.04837	8.6
187.05295	0.9
189.03322	1.7
191.14291	0.7
193.08601	1.3
209.08177	1.4
209.11623	1.1
210.11256	2.3
216.06873	4.9
227.09174	1.3
233.05899	1.8
233.09395	0.7
235.14314	1.1
237.05482	1.9
244.09444	0.7
245.05998	1.3
259.11111	100.0
260.09412	1.7
260.11469	2.2
277.12091	1.9
285.12637	1.8
308.09302	1.4
313.12250	4.2
331.13266	6.8
388.10471	0.9
388.15384	2.1
388.25946	0.8
389.13461	0.9
406.16440	5.8
406.24387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.01834	1.1
55.05507	2.5
57.07075	3.3
65.03899	0.8
67.05501	6.6
69.03402	0.4
69.07063	2.4
69.70891	1.3
69.71318	1.0
71.08620	3.0
75.47433	0.3
78.50408	0.4
79.05442	1.5
79.19776	0.3
81.03391	0.6
81.07040	3.4
82.95068	0.3
83.04946	0.7
83.08565	1.3
83.33439	0.3
85.02885	0.4
85.06499	0.3
85.10134	1.5
91.04964	0.4
91.05468	5.1
93.07037	18.3
95.04922	1.5
95.08601	12.7
96.08911	0.4
97.06510	0.8
97.10131	0.5
105.07012	3.1
107.01302	0.7
107.04941	1.8
107.08588	4.3
109.06467	0.6
109.10148	3.1
109.98901	0.3
111.08070	9.7
112.31258	0.3
115.05396	1.0
117.07004	2.2
119.04895	1.2
119.08540	1.6
121.02873	2.3
121.06445	1.5
121.10141	2.1
123.07970	0.5
123.11654	1.2
125.05992	0.5
125.09576	0.9
126.56876	0.3
127.07539	0.7
128.06172	0.7
129.06998	1.8
131.04848	0.5
131.08501	1.2
133.10078	1.2
135.04352	0.3
135.08072	0.7
135.11661	1.1
137.05920	0.6
137.13313	0.4
139.07518	6.6
141.06972	0.7
143.08444	0.7
145.02841	0.5
145.06335	0.3
145.10071	1.0
147.11673	0.6
149.09561	0.6
149.13222	0.6
151.07381	0.4
153.01820	0.5
153.06996	0.4
153.09059	4.7
155.03104	0.3
155.08574	0.4
157.06419	1.5
157.08546	2.3
157.09904	0.7
159.08072	0.6
159.11609	1.3
161.13187	1.1
164.43109	0.4
165.06964	0.4
167.10641	3.0
169.02646	0.4
169.06371	1.1
169.10077	0.4
171.04358	0.9
171.08002	0.4
171.11620	0.7
173.13258	0.9
175.14738	0.6
177.01758	0.3
177.58984	0.4
179.03296	0.4
181.06419	0.7
181.12225	2.6
183.11598	0.4
185.05963	1.9
185.13286	0.6
187.14835	0.6
187.84602	0.3
189.05435	3.3
189.16315	0.6
191.08369	0.6
195.02875	1.7
195.13786	1.6
202.07788	0.5
203.06914	1.1
203.08618	0.6
204.09233	1.1
207.02869	0.5
209.15315	1.5
211.07719	0.3
213.05450	3.3
215.08484	0.8
217.10175	0.4
218.07262	0.4
219.08058	0.4
219.11713	0.8
221.09570	0.5
223.16852	1.1
225.05452	0.9
228.09161	0.6
229.10104	3.3
231.06421	1.9
231.08099	1.6
232.08801	7.0
233.09273	1.1
237.18382	0.4
241.05125	0.4
245.09549	0.5
246.10277	0.8
247.11067	2.7
251.00134	0.8
251.06847	0.5
253.04970	0.6
257.09561	1.1
258.10138	0.7
259.07495	1.0
260.08322	3.8
261.08829	0.9
267.20828	0.4
269.04520	0.6
274.09796	0.5
275.10602	5.0
276.11102	0.8
277.08542	0.6
279.06479	1.1
279.23154	0.6
281.22614	0.3
283.05878	0.7
285.09152	0.6
288.07748	0.8
289.08475	1.1
291.06583	0.5
292.07303	1.0
293.08206	0.6
293.24698	0.5
295.05966	20.3
296.06302	2.1
302.09442	0.4
303.10117	17.8
304.10504	2.6
305.08139	0.9
306.08801	1.1
307.05975	3.2
307.09610	4.2
308.06302	0.7
309.07437	0.6
313.08423	0.7
319.05756	0.5
319.09235	0.5
320.06729	0.5
321.07602	1.9
321.10965	0.5
323.19550	0.7
331.09613	64.7
332.09973	9.4
333.07526	3.4
334.08224	3.5
335.08832	0.5
349.10666	100.0
350.11017	14.2
387.24887	0.8
387.32529	1.0
405.16937	65.8
405.37305	39.6
406.17242	11.9
406.37616	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	405.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.2
55.05502	10.3
57.07067	10.1
67.05512	16.0
69.07061	21.1
71.08632	7.4
71.63617	4.4
74.92488	2.7
75.90620	2.5
79.05488	10.4
81.07050	20.8
83.04980	4.7
83.08600	13.4
84.30826	2.1
85.10192	4.8
91.05482	12.0
93.07034	34.2
95.04951	4.4
95.08588	27.8
97.10181	6.0
105.07018	7.4
107.08590	9.6
109.06525	20.6
109.10167	13.1
111.08081	15.9
111.11758	3.8
119.08575	4.2
121.06460	5.2
121.10127	4.9
123.11676	4.4
125.06027	7.2
127.03915	3.3
132.83055	2.8
133.10139	4.7
135.11658	2.9
137.05969	74.4
137.13217	2.8
139.07524	12.9
145.10075	5.9
149.13202	2.5
151.07536	15.7
153.09117	6.0
155.07037	11.5
157.08644	4.4
157.10124	3.9
159.11676	4.2
165.09175	8.7
167.10724	3.6
179.10670	5.6
181.12254	3.3
185.13127	3.6
193.12222	5.9
195.13820	3.5
197.13394	3.1
207.13843	3.5
320.75781	3.0
387.32568	100.0
388.32864	5.2
405.37854	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01863	2.1
55.05505	17.0
57.07077	14.5
65.03951	1.9
67.05498	34.0
69.06725	1.7
69.07066	23.0
70.05432	6.1
71.08632	8.0
73.64471	1.1
79.05492	9.0
81.07052	100.0
82.07397	1.6
83.04965	2.9
83.08623	14.3
85.06540	2.0
85.10172	5.5
91.05479	8.4
93.07039	42.2
95.04966	3.2
95.08601	84.8
97.06531	3.1
97.10170	11.9
98.20777	1.1
105.07028	9.0
107.04980	1.2
107.08575	13.1
109.06496	1.6
109.10143	37.6
111.04428	5.4
111.08076	17.7
111.11715	5.0
113.02412	1.6
117.07026	1.8
119.08585	5.1
121.06481	3.5
121.10120	7.9
123.08053	2.2
123.11695	26.9
123.39326	1.2
125.02339	10.8
125.05962	3.3
125.09657	3.2
125.13268	2.4
127.03917	2.0
127.07540	1.4
131.08582	2.1
133.06424	1.8
133.10071	5.6
135.08054	4.3
135.11710	5.5
137.05997	3.4
137.13251	14.1
139.03906	7.0
139.07535	16.6
143.03400	2.9
143.08574	1.8
145.10153	3.1
147.08064	2.8
147.11682	2.6
149.05977	3.3
149.09564	2.6
149.13298	1.6
151.03922	1.2
151.07570	4.7
151.14792	4.1
153.05466	3.3
153.09085	10.8
154.19827	1.1
157.08630	4.8
157.10135	3.5
159.11717	2.7
161.09557	1.8
161.13255	1.6
163.07552	7.3
163.11198	1.8
163.14851	2.3
165.09059	5.4
167.07001	8.5
167.10678	8.0
171.11789	1.3
175.07610	1.8
177.09096	4.5
179.10675	3.0
179.17844	1.2
181.08600	7.7
181.12305	4.8
187.14781	1.1
189.16446	1.2
191.10696	1.9
193.08635	3.4
195.10143	3.6
195.13826	4.7
203.10695	1.6
205.12305	1.7
207.10254	2.2
209.11769	3.2
209.15375	3.7
213.16333	1.5
217.12268	1.5
219.13811	1.7
221.11694	1.3
223.13089	1.8
227.17928	1.5
237.14835	3.0
243.14066	1.2
245.15381	2.4
249.14938	2.4
251.16455	3.1
251.20105	1.4
255.17401	1.4
259.16965	2.9
273.18555	2.2
277.18225	1.8
291.19562	1.7
317.21161	1.9
323.19611	2.4
331.22687	2.6
333.79935	1.3
355.06732	1.2
369.27863	2.3
387.28860	20.5
405.30344	9.8
405.37308	90.2
406.37503	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	405.2632
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02362	1.7
53.03935	4.7
55.01876	10.4
55.05506	26.9
57.03424	6.0
57.07053	2.8
65.03931	3.4
67.05498	54.8
67.70390	1.2
68.99805	1.6
69.03425	20.1
69.06717	1.8
69.07064	24.2
69.47411	4.5
69.47834	8.3
71.01333	2.7
71.04974	8.1
71.08623	1.9
73.02907	4.4
79.05006	1.8
79.05482	47.7
81.03418	19.6
81.07050	62.4
83.04974	11.8
83.08620	13.0
85.02901	9.6
85.06552	2.3
91.05474	50.3
93.07036	53.9
95.04967	16.9
95.08599	50.3
97.02899	9.9
97.06503	6.4
97.10139	7.0
98.06006	1.4
99.04446	5.5
99.08036	1.5
103.03962	1.3
105.07021	53.6
107.04929	9.5
107.08585	33.6
109.02862	4.6
109.06496	11.2
109.10143	23.1
111.04467	9.1
111.08080	3.0
111.11729	1.8
115.03923	2.4
115.05463	3.8
117.07010	24.6
119.04921	2.4
119.08572	41.2
121.06493	6.2
121.10131	23.8
123.04411	2.7
123.08057	7.0
123.11697	7.3
125.06017	2.0
125.09641	3.3
127.03896	4.1
128.06177	3.4
129.05473	4.8
129.06985	20.7
130.07841	2.4
131.04884	2.7
131.08556	40.4
133.06483	6.8
133.10126	33.8
134.86275	1.6
135.08063	9.1
135.11673	17.0
137.05933	2.5
137.09610	4.1
137.13193	2.0
141.06960	9.0
141.24843	1.2
142.07751	4.5
143.08553	21.8
145.06445	6.7
145.10109	34.3
146.11000	1.3
147.08061	9.2
147.11670	23.9
149.05980	2.5
149.09593	5.3
149.13232	10.8
151.07549	5.0
151.11136	2.1
153.07022	2.6
153.09032	1.7
155.08533	9.8
156.09312	2.7
157.06506	3.5
157.10130	15.2
159.08008	6.5
159.11678	27.4
161.06024	2.4
161.09645	6.9
161.13237	14.7
163.11189	4.5
163.14851	5.4
165.09128	1.4
165.12729	2.1
167.07100	1.6
167.08568	3.6
169.10100	8.4
170.10840	2.0
171.08066	5.6
171.11688	17.1
173.09592	4.9
173.13268	17.9
175.07593	1.9
175.11195	4.8
175.14769	8.2
177.09128	1.8
177.12791	1.9
177.16344	1.6
179.08530	2.0
181.10170	5.0
183.08046	3.3
183.11682	8.8
185.09630	4.4
185.13292	13.5
187.07555	1.7
187.11163	4.2
187.14772	9.4
188.03746	3.1
189.12711	4.5
189.16428	1.9
191.14299	2.1
192.36203	1.4
193.10117	1.8
193.12384	1.4
194.99731	1.6
195.11700	4.6
197.09589	2.7
197.13263	6.1
199.11143	4.4
199.14836	8.9
201.12759	3.9
201.16458	2.8
203.10643	2.6
203.14247	2.1
203.18095	1.3
207.11609	2.1
209.13298	3.8
211.11198	2.0
211.14842	4.9
213.12766	5.9
213.16418	3.9
215.14279	4.3
221.13380	1.7
223.00743	1.7
223.14774	2.6
225.12714	2.5
225.16400	3.3
227.14197	3.6
227.17900	2.3
229.12363	1.5
229.15753	2.3
231.13808	2.5
232.08820	2.0
239.14279	2.3
241.19598	2.7
243.13724	1.6
243.21066	1.9
247.17160	1.8
251.00238	24.0
253.15787	1.7
255.21231	2.8
257.15546	1.7
257.18918	1.4
259.20538	7.1
261.22159	2.5
267.21085	2.9
269.22623	1.8
271.17273	1.8
271.20624	4.4
273.22137	5.8
275.19992	3.4
275.23627	1.9
277.21658	7.9
283.20602	2.1
285.22104	4.0
287.19937	2.3
287.23502	1.9
289.21616	8.8
291.23251	4.1
295.06000	4.7
297.22098	2.7
299.20044	2.0
301.21545	14.0
303.23108	5.2
307.28207	25.9
313.21515	5.2
315.23212	12.1
319.22571	8.8
323.23785	3.2
327.23169	6.7
331.09592	13.1
331.22626	6.9
337.04010	2.9
341.24673	11.8
345.24289	8.0
349.10669	30.5
350.10867	2.3
351.23190	11.2
357.24265	2.4
359.25726	3.8
369.24228	50.6
370.24445	2.5
387.25278	45.2
405.12558	3.1
405.16995	7.9
405.26343	100.0
405.34497	10.9
406.07169	10.6
406.17148	2.1
406.26807	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1694
Annotation	Sericetin
Peak:m/z	Relative Intensity
55.05480	0.3
67.05466	0.6
69.07061	1.3
69.76688	1.1
69.77113	0.7
79.05457	0.6
81.06986	0.9
83.08572	0.5
86.46582	0.2
89.61841	0.3
91.05467	1.6
93.06974	0.8
94.11352	0.2
95.04901	0.5
95.08541	1.0
97.10122	0.3
103.05393	0.3
105.03333	0.6
105.06962	1.0
107.01234	1.0
107.04889	0.7
107.08556	0.6
109.10104	0.6
115.05434	0.6
116.06266	0.3
117.06950	0.7
119.04879	1.1
119.08582	1.7
120.05673	0.3
121.02810	0.5
121.10089	0.3
123.04346	1.2
128.06136	0.8
129.06955	1.1
131.04901	0.3
131.08562	2.0
133.06490	1.3
133.10065	0.4
134.03557	1.0
135.04384	0.6
137.05907	0.3
141.06924	1.0
142.07719	0.3
143.08502	0.7
144.05638	0.5
145.06445	0.4
145.10132	0.4
147.04361	0.6
147.07962	0.5
149.02281	0.7
149.13109	0.3
150.83357	0.2
153.01807	1.4
155.08502	0.4
157.06458	0.7
157.09923	0.4
159.04341	0.7
159.08067	1.8
159.11626	0.6
161.02327	2.5
161.05948	0.7
163.03923	0.5
165.06989	0.3
167.03397	0.3
169.06448	2.0
171.08052	0.4
172.05171	0.4
173.05916	0.3
175.03842	0.4
180.09306	0.3
183.08011	0.4
185.05931	0.7
187.03845	0.9
187.07466	1.2
189.05453	0.4
195.11694	0.3
197.05891	1.1
197.09471	0.4
199.07480	0.4
200.04646	0.9
201.05438	0.6
203.06940	0.4
205.04933	0.8
208.08786	0.3
211.03723	0.3
211.07507	0.3
213.05470	1.5
215.06993	10.5
218.05591	0.4
223.11014	0.3
225.08818	0.3
231.06200	0.3
232.08870	0.4
233.07988	5.8
233.10008	0.5
235.07442	0.7
236.08279	0.5
237.09041	0.3
247.11185	0.7
249.08986	0.6
250.09758	0.5
251.00194	0.6
251.10579	1.4
260.08249	0.6
261.09015	0.9
263.07001	0.5
264.07721	0.6
265.08350	0.4
265.12228	0.4
275.07263	0.3
275.10645	0.9
277.08591	1.3
278.09216	0.7
279.10175	2.5
287.06946	0.7
288.07620	0.6
293.07877	0.3
293.11685	0.7
295.06021	0.8
303.07047	0.3
303.09866	1.4
305.08090	2.2
306.08731	1.1
307.06082	0.3
307.09515	1.1
309.07648	0.5
319.09705	0.9
320.10501	0.3
321.07477	0.8
321.11240	1.1
331.09668	4.1
332.10062	0.7
333.07547	1.7
334.08292	7.8
335.08945	0.8
335.16275	0.5
337.10757	1.0
347.09030	0.9
348.09897	2.7
349.10660	44.7
350.11102	2.6
387.25369	0.5
390.14514	1.6
405.16925	100.0
406.17233	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	405.1693
Annotation	Isolaxifolin
Peak:m/z	Relative Intensity
55.01857	0.4
55.05508	0.4
57.07056	0.7
62.32428	0.2
67.05477	0.9
69.07072	0.2
71.08620	0.3
71.34468	0.3
71.34787	0.3
71.67442	0.2
79.05460	0.5
81.07041	0.4
85.10120	0.3
91.05457	1.4
93.07047	3.0
95.04970	0.3
95.08607	2.5
105.06989	0.3
107.04929	1.2
107.08573	0.7
111.08083	1.9
115.05408	0.3
117.07003	1.8
118.04210	0.3
119.04909	0.7
119.08566	0.3
121.02846	2.2
121.06483	0.4
121.10140	0.3
128.06212	0.4
129.06973	1.0
131.04959	0.4
135.08017	0.3
139.07539	1.7
141.06920	0.6
145.02855	0.3
149.13243	0.3
152.06012	0.3
153.01842	0.4
153.06999	0.6
153.09079	1.4
157.06471	1.4
167.10640	0.5
169.06461	1.1
171.04393	0.7
179.03209	0.3
181.06473	0.8
181.12234	0.5
185.05957	1.7
188.26152	0.3
189.01854	0.4
189.05487	1.8
195.02873	1.2
197.06015	0.3
202.07858	0.4
203.06992	1.0
203.08661	0.4
204.09329	0.9
207.02950	0.4
213.05508	2.5
215.08504	0.7
216.09341	0.4
217.10164	0.3
219.11623	0.7
221.09683	0.4
225.05562	0.4
227.08434	0.3
228.09392	0.5
229.10066	2.1
231.06187	1.6
231.08159	1.1
232.08784	4.8
233.09467	0.6
237.36749	0.2
245.09619	0.3
246.10269	0.4
247.11208	2.0
251.06865	0.6
253.05063	0.3
257.09546	1.0
258.10315	0.4
259.07477	0.7
260.08261	2.5
261.08917	0.6
267.06476	0.3
269.04428	0.3
275.10690	3.2
277.08655	0.5
279.00662	0.3
279.06485	0.7
285.09033	0.5
289.08545	0.6
291.06427	0.3
292.07217	0.7
293.07980	0.5
293.11514	0.3
295.05991	15.9
296.06277	0.5
303.10129	14.4
304.10403	1.1
305.08105	0.8
306.08813	0.6
307.05978	3.3
307.09601	3.1
309.07538	0.5
313.08453	0.4
319.06171	0.3
320.06711	0.4
321.07938	1.3
321.11160	0.6
331.09622	58.7
332.09940	3.8
333.07629	2.4
334.08307	2.6
335.08328	0.3
349.10669	100.0
350.11011	6.2
400.44354	0.3
405.16928	71.9
405.37357	8.5
406.17334	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	405.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.05503	4.4
56.05032	46.6
57.03417	1.2
61.01160	1.3
64.88396	0.9
67.05492	3.5
68.05017	1.1
69.03431	1.6
69.07059	11.0
70.02946	1.0
70.23213	1.9
70.23631	3.4
73.04037	3.1
74.06075	49.9
75.89360	0.9
79.05485	1.3
81.03427	1.4
81.07053	4.8
82.02950	2.2
82.06562	1.5
83.04984	11.9
83.08618	1.6
84.04503	4.6
84.08159	2.0
85.01071	1.7
85.02908	1.6
85.04019	15.2
85.08964	1.6
86.09700	17.6
91.05513	2.5
93.07033	4.0
94.06568	1.6
95.04959	1.6
95.08594	4.5
96.04470	1.7
96.08128	10.1
97.02982	1.0
97.06538	1.3
98.09685	3.1
101.07120	1.8
102.03748	1.6
102.05530	2.1
103.05444	1.2
105.07017	3.0
107.04901	1.1
107.08586	4.3
109.10138	5.7
110.06002	1.2
111.04459	1.0
112.03915	1.3
113.10762	16.5
114.09064	1.0
114.11164	1.0
117.10880	1.0
119.08575	3.0
120.04815	2.1
120.08107	3.0
121.06478	1.7
121.10117	2.3
122.09679	2.1
123.11705	1.5
124.07602	4.1
124.11193	7.2
125.06020	1.6
127.03911	2.7
130.03214	3.8
131.04919	1.6
131.08540	1.6
132.10181	1.5
133.10136	3.2
135.08034	1.6
135.11688	1.5
137.05972	2.7
137.13196	1.1
140.03429	2.3
140.10733	1.1
141.10219	41.5
143.08572	1.0
144.10146	1.6
145.10130	1.7
147.04410	2.2
149.05981	1.2
151.03789	1.1
152.10706	11.8
158.11818	1.5
159.11678	2.5
159.74132	0.9
164.06998	2.2
166.05246	1.1
167.07021	11.6
168.07343	1.3
168.10182	3.3
169.09750	2.6
169.13358	37.9
170.11787	2.2
171.11693	1.2
172.05078	0.9
173.13252	1.5
181.04897	1.0
187.10751	18.5
187.14839	1.4
191.10287	0.9
193.08627	1.6
196.09645	4.0
197.12886	4.4
198.09447	1.4
198.11201	2.0
199.14804	1.0
201.16364	2.3
215.13898	100.0
216.14223	2.0
233.13174	46.6
244.09871	1.7
261.12659	9.7
262.11026	3.7
277.15649	1.2
279.13730	61.9
280.14038	1.8
305.15118	1.4
323.15991	1.8
341.16989	1.5
364.78482	1.1
405.13162	8.3
405.35205	9.0
405.67587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01866	2.1
55.05506	8.3
56.05032	48.2
57.03417	2.1
57.07052	2.3
57.31704	1.1
67.05490	7.0
69.03409	3.0
69.06774	1.3
69.07064	15.4
70.06563	1.6
71.04968	1.5
72.08138	2.2
73.04022	4.9
74.02427	1.7
74.06074	58.7
76.01533	1.2
78.04708	1.2
79.05492	5.2
80.05009	1.5
81.03404	2.1
81.07052	12.5
82.02950	2.1
83.04982	12.9
83.08604	2.7
84.04500	7.2
84.08134	1.4
85.02894	2.3
85.04025	18.0
85.06537	1.5
85.08961	1.2
86.09701	20.2
91.05471	6.9
93.07029	4.8
94.06573	1.8
95.04973	3.4
95.08585	10.9
96.04442	2.7
96.08119	10.5
97.02884	1.3
97.06540	3.6
98.09679	3.8
99.04437	1.8
101.53608	1.3
102.05530	4.2
103.05453	1.3
105.07021	7.3
107.04918	2.0
107.08588	6.7
109.02887	2.0
109.06562	2.6
109.10156	13.1
111.04482	1.7
111.08073	1.3
112.03946	1.6
113.10752	15.0
116.10741	1.5
119.04906	3.3
119.08562	4.7
120.04841	2.4
120.08080	2.0
121.06494	2.4
121.10137	4.6
122.06033	1.9
122.09680	2.0
123.04449	1.8
123.08044	1.4
123.11711	3.1
124.07567	6.1
124.11217	6.3
125.05972	2.6
127.03899	5.2
130.03197	2.0
131.04941	3.3
131.08517	2.3
132.10176	3.1
133.06448	3.1
133.10149	3.7
135.04405	2.3
135.07967	1.4
135.11700	3.8
137.05945	12.7
137.09567	2.3
137.13217	1.6
138.09122	1.4
140.03432	2.3
141.10214	41.9
143.08543	2.5
144.10185	2.7
144.67642	1.3
145.02890	1.6
145.10115	3.4
147.04393	8.1
147.11694	3.9
148.04218	2.0
149.05980	2.0
149.09665	1.4
149.13264	2.8
150.09105	2.3
151.03851	1.8
151.07547	3.5
152.10722	11.5
153.05411	1.4
157.10193	1.9
158.11800	1.9
161.05956	3.9
161.09637	1.9
161.13194	1.7
163.03928	2.3
163.07498	2.4
165.05435	1.5
165.09100	14.8
167.07025	29.5
167.98967	1.3
168.07407	1.6
168.10248	3.7
169.09749	2.1
169.13356	39.6
170.11754	1.7
175.14789	1.3
177.05519	2.5
177.09096	2.1
179.07062	3.2
181.04953	6.2
181.08578	3.0
182.08055	2.1
185.13329	1.3
187.04024	1.4
187.10796	18.3
189.16342	2.0
191.17938	1.4
193.08578	5.6
196.09677	1.7
197.12961	3.5
198.11212	2.1
203.07068	1.7
215.13899	100.0
216.12386	1.4
216.14282	5.0
229.30090	1.2
233.08089	1.9
233.13173	45.7
234.13332	1.5
244.10112	1.5
261.12653	10.6
262.11069	4.0
279.13745	58.0
279.16846	2.7
280.13873	2.3
299.12823	1.6
387.13940	1.9
405.13361	1.8
405.23199	1.4
405.30667	2.1
405.35114	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	405.1544
Annotation	Nitidanin
Peak:m/z	Relative Intensity
51.02381	1.9
53.03936	2.4
55.01862	4.4
55.05498	4.0
57.07067	1.6
58.71245	1.0
62.12351	1.2
65.03932	7.1
65.86588	1.0
67.05498	9.8
69.03070	0.9
69.03416	5.3
69.07071	6.7
70.06573	1.6
71.04985	2.3
71.61843	1.5
72.08155	1.5
73.17464	0.9
78.04694	1.0
79.05485	14.3
81.03408	8.3
81.07050	20.1
82.04207	2.0
83.04974	3.3
83.08604	2.0
84.08101	1.4
85.02885	5.8
85.06532	7.0
85.60535	1.0
86.09692	2.3
91.05460	9.2
93.03377	1.1
93.07044	10.8
94.04177	1.7
95.04948	7.8
95.08607	16.1
97.02876	3.9
97.06541	6.1
97.10134	1.3
97.14017	1.0
99.04445	1.5
99.08092	1.4
101.06030	0.9
103.05450	5.1
104.19400	1.0
105.07020	11.5
106.04170	1.6
107.04946	28.1
107.08573	8.9
108.02050	1.3
109.02873	3.4
109.06503	4.8
109.10146	7.5
110.03660	2.2
111.04437	3.1
111.08087	1.2
115.05442	5.8
117.07028	6.0
119.04926	2.9
119.08574	8.1
121.02863	2.5
121.06499	3.7
121.10138	6.8
122.03642	4.9
123.04433	4.6
123.08031	1.5
123.11714	5.1
124.05197	3.9
125.06017	5.8
125.09621	2.1
127.03918	6.6
128.06194	2.6
129.07011	7.9
131.04907	6.3
131.08565	3.5
133.06467	6.7
133.10144	5.4
135.04419	2.9
135.08057	2.0
135.11693	4.5
137.05971	38.8
137.09569	1.4
138.03119	3.0
138.06357	1.1
139.03839	0.9
139.11162	1.8
141.07013	1.3
142.02580	2.0
143.04909	4.1
144.05678	1.5
145.06465	9.8
145.10143	3.4
147.04344	6.3
147.08038	2.9
147.11688	4.5
149.05968	2.2
149.09607	3.6
149.13272	3.2
151.03889	15.7
151.05016	1.0
151.07555	2.7
152.04646	3.0
153.05424	2.2
155.07079	2.3
155.08548	3.5
157.06465	9.4
157.10083	1.4
159.08089	2.3
159.11725	2.2
160.05171	2.4
161.05994	8.4
161.09587	1.3
161.13220	2.1
163.03922	2.8
163.07550	7.0
163.14819	1.4
165.05444	2.7
165.06908	1.9
165.09056	1.7
166.02620	1.3
167.07034	100.0
168.07343	2.5
169.10110	1.0
171.03093	1.4
171.04317	6.0
171.06544	6.3
171.11711	1.4
172.05112	5.3
173.05934	5.7
173.13251	1.6
174.06792	1.8
175.07559	6.3
175.11118	1.6
175.14851	1.4
176.04709	1.4
177.05479	4.4
177.09097	2.7
179.06973	2.3
181.04947	87.3
181.08379	2.7
182.05296	2.7
183.07988	2.5
187.07545	4.3
187.14743	1.3
188.04712	1.1
189.05443	8.0
189.06932	1.3
189.09018	7.0
189.16338	2.2
190.06180	2.1
191.07008	3.8
191.10785	1.1
193.08603	7.4
195.06534	4.5
197.11757	2.3
199.14825	1.5
201.05450	3.6
202.06181	1.4
203.06984	12.5
203.18001	2.5
205.08562	6.3
206.05659	2.6
207.06467	1.3
209.07977	1.1
211.07536	2.9
213.05515	2.5
213.16374	1.5
215.07072	2.6
217.04823	1.3
217.08566	1.2
218.05765	7.1
219.06403	2.3
221.08026	8.6
228.07867	1.8
233.08073	46.3
234.06694	1.8
234.08751	1.7
235.09622	8.2
236.92984	1.3
242.94997	1.0
243.10133	8.6
245.08127	2.3
249.09038	2.1
250.06351	1.4
251.09090	10.0
253.08344	1.4
255.06509	1.7
263.09137	7.3
265.08594	1.5
277.08676	1.8
279.10425	1.3
283.06046	1.1
284.07010	1.1
291.10239	1.1
293.08304	2.4
297.11099	2.1
301.07086	12.6
301.10480	1.3
302.07526	1.1
305.08099	1.2
309.11108	2.7
315.08636	2.5
315.23523	1.8
316.09375	6.8
317.09933	1.4
325.10577	2.5
329.10147	1.6
333.24173	5.8
337.10797	2.5
339.12164	1.6
341.13831	2.8
342.11133	2.1
351.12292	2.7
351.25342	6.4
357.13440	8.8
369.13306	3.9
369.26599	5.2
375.14413	9.0
387.14383	54.3
388.14658	6.6
405.11090	1.1
405.15555	11.5
405.23984	3.2
405.35281	3.4
419.68695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.133
Annotation	Calomelanol B
Peak:m/z	Relative Intensity
52.65107	0.4
55.05478	0.6
63.30220	0.5
65.04752	0.4
67.05470	1.9
69.03400	0.5
69.07028	1.1
70.68913	1.2
75.32150	0.4
79.05466	1.1
81.07024	1.5
83.08578	0.6
91.05459	1.0
93.06998	1.1
95.04943	0.4
95.08604	2.1
102.09132	0.4
105.03377	0.5
105.06991	1.4
107.04946	1.9
107.08562	0.9
108.05608	3.3
109.10122	1.0
110.37260	0.4
119.04913	1.7
119.08535	0.7
121.02856	2.1
121.10111	0.6
123.04409	0.7
123.11671	0.4
128.06215	0.6
129.06949	0.6
131.04884	1.1
131.08549	0.4
133.10056	0.6
135.04430	0.6
137.02339	3.6
137.03333	0.7
137.13176	0.5
143.08568	0.7
145.06453	0.7
145.10051	0.7
147.04333	0.8
147.11641	0.8
155.08488	0.5
159.11603	0.5
161.02260	0.5
171.07968	0.7
171.11664	0.8
173.13176	0.4
183.07959	0.5
191.03407	0.7
195.08015	1.1
199.07518	0.8
213.05475	0.8
215.03510	0.5
220.46828	0.4
223.07513	0.5
225.09145	0.6
227.06950	1.5
243.10167	0.5
251.07051	0.5
265.08606	1.1
269.08057	2.1
271.11035	0.7
274.10056	0.5
280.07144	0.4
281.08002	0.8
283.05991	1.0
287.09125	5.1
293.07993	3.9
305.08099	1.4
307.06146	0.5
309.07538	17.3
309.11057	0.9
317.11655	1.3
319.09283	0.6
320.06845	0.9
321.07578	5.3
321.11002	1.1
327.09985	0.5
329.08047	1.1
333.07538	4.3
334.08298	3.0
335.09103	1.5
335.12695	1.0
343.09518	0.5
345.11179	14.5
347.09128	3.6
348.09821	4.0
349.10562	0.7
356.95676	0.5
359.12640	1.1
363.12238	100.0
364.12564	3.9
377.13745	1.1
387.12091	1.7
405.13297	61.3
405.35260	1.1
406.05457	1.5
406.13354	2.9
407.01917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1331
Annotation	Saptomycin A
Peak:m/z	Relative Intensity
54.41433	0.2
55.05470	0.3
57.84243	0.3
60.83940	0.2
65.03923	0.3
65.40205	0.2
67.05459	0.5
69.03388	0.2
69.07042	0.2
70.22527	1.1
78.17168	0.2
79.05434	0.4
81.06985	0.6
91.05423	0.4
93.07016	0.3
95.08532	0.4
105.03299	0.3
105.06985	0.7
107.04941	1.7
107.08543	0.4
109.10136	0.3
119.04865	0.4
121.02850	1.8
129.06944	0.3
131.04895	0.3
131.08521	0.4
133.02843	0.5
133.10109	0.4
135.04411	2.1
143.08530	0.4
143.09567	0.2
145.10062	0.3
147.04384	0.4
155.08583	0.4
157.06416	0.2
159.04286	0.3
159.11601	0.3
161.02216	0.3
167.06915	0.3
171.08020	0.7
171.11655	0.3
175.03854	0.3
183.08072	0.4
185.06001	0.3
191.03308	0.3
195.07979	0.4
199.07529	0.3
201.09047	0.7
213.05367	0.4
215.03351	0.5
223.07504	0.3
225.09109	0.4
227.07016	2.5
245.07947	0.5
246.10286	0.4
251.06989	2.0
254.05672	0.3
255.06355	0.3
265.08661	0.3
269.08008	1.3
273.09146	0.3
274.09787	0.5
277.08530	0.3
280.07037	0.2
281.07996	0.4
283.05957	0.3
287.09238	0.4
289.12195	0.3
292.07391	0.3
293.08054	1.7
295.09540	0.3
301.08701	0.3
305.07974	0.8
307.06012	0.3
307.09534	0.3
309.07550	5.5
310.07877	0.3
316.10681	0.3
317.11731	1.2
319.05817	0.6
319.09579	0.7
320.06827	0.5
320.10193	0.3
321.07581	2.5
321.10974	0.3
327.10211	0.4
329.08136	1.1
330.08841	0.4
331.09500	0.4
333.07596	4.0
334.08356	1.1
335.08997	1.0
335.12589	0.5
341.11740	0.4
343.09622	1.0
344.10254	0.3
345.07513	0.5
345.11179	4.8
347.09119	2.8
348.09778	1.8
354.08722	1.0
355.09668	0.4
357.07550	1.9
359.12762	0.5
363.12228	59.3
364.12595	1.8
369.11179	8.1
371.09024	3.7
372.09857	3.2
387.12228	100.0
388.12643	3.0
405.13272	1.6
405.16245	1.4
405.30438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1332
Annotation	Saptomycin A
Peak:m/z	Relative Intensity
50.27714	0.7
55.05496	1.3
56.96560	1.2
57.03428	0.7
60.13784	0.6
64.57222	0.7
67.05492	2.9
69.07053	1.7
69.65929	5.3
79.05478	1.3
81.07043	2.6
83.08587	0.7
85.02917	1.1
91.05480	1.5
93.07038	2.3
95.04933	0.9
95.08600	2.9
95.16013	0.6
105.07026	3.2
105.13686	0.7
107.04955	3.2
107.08599	1.8
108.86556	0.6
109.06510	0.7
109.10152	2.1
119.08590	2.3
121.02842	2.1
121.10139	1.4
123.08006	1.1
123.11780	0.7
129.06996	0.7
131.08522	1.7
133.10138	2.4
135.04364	1.8
135.11694	0.7
141.06924	0.7
143.08589	0.8
145.10129	1.1
147.11627	1.2
155.08446	0.8
157.10164	0.8
159.11717	0.9
161.13266	0.6
167.07056	1.0
167.08414	0.7
171.07884	0.8
173.13281	0.8
175.14856	0.8
176.50902	0.7
181.08652	0.6
183.08116	1.0
185.05969	0.8
185.13142	0.7
201.09163	1.2
215.03392	1.9
227.07008	1.7
232.08748	0.9
251.00215	2.1
251.07045	2.8
269.07953	1.2
283.05826	0.9
289.11920	0.7
293.08209	1.8
295.05884	1.1
305.07980	1.7
306.08752	0.8
309.07535	5.0
317.11737	1.1
319.09811	1.5
321.07565	3.8
321.10883	0.8
331.09601	2.2
333.07462	4.1
334.08356	2.5
335.08960	0.8
343.09604	1.1
345.11221	5.2
347.08948	3.8
348.09955	1.7
349.10721	9.6
349.16675	0.9
357.07700	1.5
363.12247	57.7
364.12610	2.2
369.11182	8.8
371.09119	4.1
372.09891	2.6
387.12238	100.0
388.12585	3.1
396.35483	0.8
405.13010	6.7
405.17712	8.7
405.30338	2.2
405.35226	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1327
Annotation	Diosindigo A
Peak:m/z	Relative Intensity
55.05492	1.1
56.96552	0.5
57.03432	0.9
63.51394	0.3
65.03939	0.5
67.05498	2.1
68.99803	0.6
69.03439	0.5
69.07071	1.8
71.08617	0.9
71.09010	0.4
71.45984	0.3
71.62375	0.6
79.05467	1.9
81.03400	0.5
81.07053	3.2
83.08601	0.5
89.66873	0.3
89.67609	0.4
91.05454	1.6
93.03408	0.4
93.07029	1.7
95.04970	1.8
95.08601	2.8
95.94675	0.4
97.10167	0.9
103.05479	0.4
105.03411	0.5
105.07018	2.7
107.04943	1.7
107.08581	1.7
108.44259	0.4
109.02864	0.4
109.06541	0.8
109.10151	1.6
110.06132	0.4
115.05458	0.4
119.04928	0.9
119.08578	1.9
119.16636	0.3
120.26283	0.4
121.02917	0.6
121.06474	1.1
121.10149	1.6
123.04442	2.4
123.08030	0.4
123.11713	0.8
125.09581	0.5
125.34927	0.4
129.06970	0.9
131.04893	0.6
131.08540	1.3
133.06503	0.4
133.10136	1.2
135.04424	1.4
135.08057	0.4
135.11656	0.9
137.02335	1.2
137.13289	0.4
141.07002	0.8
142.07758	0.9
143.08543	0.7
145.06488	1.2
145.10141	1.2
147.04402	0.8
147.08029	0.7
147.11681	0.9
149.02306	0.6
149.05965	0.7
149.09557	0.5
151.03879	0.5
155.08572	0.7
157.10136	1.5
159.04514	0.6
159.08046	0.7
159.11703	0.8
161.02354	2.0
161.06010	0.7
161.13219	0.7
163.03902	0.5
163.07602	0.5
165.07088	0.5
167.07027	2.2
167.08406	0.7
169.06436	0.4
169.10147	1.0
173.05981	0.8
173.11842	0.5
175.07510	0.5
175.11261	2.0
175.14822	0.6
177.16374	0.5
179.08553	0.8
181.10103	0.5
183.08014	0.5
185.06044	0.6
187.07574	0.5
187.11180	0.5
189.05441	0.6
189.16409	0.7
191.17957	0.5
195.08058	0.6
197.09628	0.9
201.09166	0.4
201.16409	0.9
203.10622	1.1
207.02870	0.5
211.07562	0.5
213.05449	1.6
215.03329	3.2
215.10622	0.7
217.04967	1.2
225.09123	1.2
227.07089	0.5
227.10677	0.6
228.07809	1.1
229.05020	2.3
229.08537	0.6
231.06473	0.8
233.04489	2.4
235.05894	0.6
243.10143	1.8
247.05954	0.6
249.09218	0.4
251.07057	0.4
253.08591	2.0
255.06512	0.9
259.23358	0.4
271.09637	12.2
289.10699	0.9
299.10663	0.6
307.05960	0.5
317.08221	0.5
317.11603	0.7
319.09735	0.4
329.08255	0.7
331.13208	0.5
333.07492	0.9
335.12827	1.0
343.09830	0.7
344.10403	0.4
347.09174	0.9
349.07001	4.7
349.10727	0.7
351.08768	0.8
351.25153	0.6
352.25705	0.7
359.12814	0.6
363.08228	0.5
363.12216	0.7
365.10205	0.5
369.11337	0.8
371.09070	0.7
372.10037	0.4
375.57758	0.4
377.13889	0.5
387.12219	5.6
387.29221	0.5
388.12466	0.4
389.10132	0.5
390.10962	0.7
405.13306	100.0
405.35040	2.3
406.13617	4.9
424.02466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1329
Annotation	Diosindigo A
Peak:m/z	Relative Intensity
55.01854	1.0
55.05496	2.5
57.07058	1.2
67.05483	3.7
69.03447	1.1
69.07057	3.1
69.57894	0.8
70.88717	1.5
72.08125	0.8
79.05482	2.8
81.03400	2.2
81.07038	6.5
83.04970	0.9
83.08609	1.2
85.02885	1.1
91.05460	3.6
93.07033	3.9
95.08600	5.2
97.02859	1.1
105.07002	3.1
107.04964	1.1
107.08569	3.8
109.10129	3.0
111.04411	1.5
117.07014	1.5
119.04932	5.1
119.08556	3.0
121.06468	1.0
121.10128	3.7
123.04395	1.0
123.11714	1.3
125.19364	0.9
129.06999	1.1
131.08571	2.1
133.10112	2.9
135.08035	1.1
135.11697	1.7
137.06003	0.9
143.08562	1.2
144.39133	0.9
145.10103	2.3
147.04405	8.6
147.11707	2.1
149.13274	1.8
157.10100	1.4
159.11661	2.9
161.05997	1.4
161.13237	1.3
167.07042	2.2
171.11734	1.6
173.13226	1.7
183.11642	1.3
187.14830	1.1
199.14729	0.9
209.13252	1.0
215.03377	90.2
228.07686	0.9
233.04454	8.1
243.10156	1.3
271.09564	1.9
349.06967	5.1
349.10797	1.8
369.23929	2.1
387.12207	16.3
387.25311	2.1
405.13263	100.0
405.26175	3.8
405.30795	2.0
405.35403	2.8
406.13669	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	405.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
56.96552	0.5
57.03432	0.9
63.51394	0.3
65.03939	0.5
67.05498	2.1
68.99803	0.6
69.03439	0.5
69.07071	1.8
71.08617	0.9
71.09010	0.4
71.45984	0.3
71.62375	0.6
79.05467	1.9
81.03400	0.5
81.07053	3.2
83.08601	0.5
89.66873	0.3
89.67609	0.4
91.05454	1.6
93.03408	0.4
93.07029	1.7
95.04970	1.8
95.08601	2.8
95.94675	0.4
97.10167	0.9
103.05479	0.4
105.03411	0.5
105.07018	2.7
107.04943	1.7
107.08581	1.7
108.44259	0.4
109.02864	0.4
109.06541	0.8
109.10151	1.6
110.06132	0.4
115.05458	0.4
119.04928	0.9
119.08578	1.9
119.16636	0.3
120.26283	0.4
121.02917	0.6
121.06474	1.1
121.10149	1.6
123.04442	2.4
123.08030	0.4
123.11713	0.8
125.09581	0.5
125.34927	0.4
129.06970	0.9
131.04893	0.6
131.08540	1.3
133.06503	0.4
133.10136	1.2
135.04424	1.4
135.08057	0.4
135.11656	0.9
137.02335	1.2
137.13289	0.4
141.07002	0.8
142.07758	0.9
143.08543	0.7
145.06488	1.2
145.10141	1.2
147.04402	0.8
147.08029	0.7
147.11681	0.9
149.02306	0.6
149.05965	0.7
149.09557	0.5
151.03879	0.5
155.08572	0.7
157.10136	1.5
159.04514	0.6
159.08046	0.7
159.11703	0.8
161.02354	2.0
161.06010	0.7
161.13219	0.7
163.03902	0.5
163.07602	0.5
165.07088	0.5
167.07027	2.2
167.08406	0.7
169.06436	0.4
169.10147	1.0
173.05981	0.8
173.11842	0.5
175.07510	0.5
175.11261	2.0
175.14822	0.6
177.16374	0.5
179.08553	0.8
181.10103	0.5
183.08014	0.5
185.06044	0.6
187.07574	0.5
187.11180	0.5
189.05441	0.6
189.16409	0.7
191.17957	0.5
195.08058	0.6
197.09628	0.9
201.09166	0.4
201.16409	0.9
203.10622	1.1
207.02870	0.5
211.07562	0.5
213.05449	1.6
215.03329	3.2
215.10622	0.7
217.04967	1.2
225.09123	1.2
227.07089	0.5
227.10677	0.6
228.07809	1.1
229.05020	2.3
229.08537	0.6
231.06473	0.8
233.04489	2.4
235.05894	0.6
243.10143	1.8
247.05954	0.6
249.09218	0.4
251.07057	0.4
253.08591	2.0
255.06512	0.9
259.23358	0.4
271.09637	12.2
289.10699	0.9
299.10663	0.6
307.05960	0.5
317.08221	0.5
317.11603	0.7
319.09735	0.4
329.08255	0.7
331.13208	0.5
333.07492	0.9
335.12827	1.0
343.09830	0.7
344.10403	0.4
347.09174	0.9
349.07001	4.7
349.10727	0.7
351.08768	0.8
351.25153	0.6
352.25705	0.7
359.12814	0.6
363.08228	0.5
363.12216	0.7
365.10205	0.5
369.11337	0.8
371.09070	0.7
372.10037	0.4
375.57758	0.4
377.13889	0.5
387.12219	5.6
387.29221	0.5
388.12466	0.4
389.10132	0.5
390.10962	0.7
405.13306	100.0
405.35040	2.3
406.13617	4.9
424.02466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05496	2.5
57.07058	1.2
67.05483	3.7
69.03447	1.1
69.07057	3.1
69.57894	0.8
70.88717	1.5
72.08125	0.8
79.05482	2.8
81.03400	2.2
81.07038	6.5
83.04970	0.9
83.08609	1.2
85.02885	1.1
91.05460	3.6
93.07033	3.9
95.08600	5.2
97.02859	1.1
105.07002	3.1
107.04964	1.1
107.08569	3.8
109.10129	3.0
111.04411	1.5
117.07014	1.5
119.04932	5.1
119.08556	3.0
121.06468	1.0
121.10128	3.7
123.04395	1.0
123.11714	1.3
125.19364	0.9
129.06999	1.1
131.08571	2.1
133.10112	2.9
135.08035	1.1
135.11697	1.7
137.06003	0.9
143.08562	1.2
144.39133	0.9
145.10103	2.3
147.04405	8.6
147.11707	2.1
149.13274	1.8
157.10100	1.4
159.11661	2.9
161.05997	1.4
161.13237	1.3
167.07042	2.2
171.11734	1.6
173.13226	1.7
183.11642	1.3
187.14830	1.1
199.14729	0.9
209.13252	1.0
215.03377	90.2
228.07686	0.9
233.04454	8.1
243.10156	1.3
271.09564	1.9
349.06967	5.1
349.10797	1.8
369.23929	2.1
387.12207	16.3
387.25311	2.1
405.13263	100.0
405.26175	3.8
405.30795	2.0
405.35403	2.8
406.13669	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	404.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92843	1.1
55.05511	5.8
56.96544	1.5
57.03425	2.8
57.07030	1.5
65.03930	1.4
67.05499	9.7
69.03416	1.6
69.07054	3.9
71.08614	3.8
71.62356	1.8
79.05481	5.6
81.07048	10.2
83.04987	1.3
83.08597	3.4
91.05466	6.5
92.05804	1.4
93.07056	7.1
95.04945	2.1
95.08569	5.9
97.06535	2.0
97.10171	3.1
99.08078	3.5
105.07028	8.4
107.04939	2.9
107.08587	5.3
109.06480	2.1
109.10123	2.5
119.04941	1.7
119.08567	3.4
120.82439	1.4
121.02866	3.1
121.10136	4.1
122.03237	1.4
123.04430	1.7
123.11665	1.9
125.09611	2.1
127.03857	1.3
131.08553	1.7
133.10080	2.8
135.04439	1.2
135.11716	2.6
136.96454	1.0
143.08580	2.0
145.10117	2.7
147.04424	1.4
147.43137	1.1
149.13197	2.2
151.11237	1.5
159.11656	2.6
161.13194	1.8
163.07607	1.3
163.11153	1.6
164.11636	1.2
167.07069	5.3
168.07397	2.3
171.11734	1.9
173.11758	2.4
177.12724	2.8
179.14430	1.2
189.11150	2.3
213.05324	1.6
214.05777	1.9
227.12827	3.0
249.12755	2.8
259.20547	1.8
269.17453	13.2
277.21603	3.2
286.20035	2.0
296.06433	2.2
306.08344	1.5
308.06204	1.5
321.07321	1.3
322.07892	1.9
327.17215	1.6
331.09744	1.7
332.09875	4.0
334.08170	2.0
344.09985	1.9
346.11761	2.3
348.09473	2.7
349.10477	1.6
350.11008	6.6
351.25336	6.0
356.10049	2.8
362.11002	3.0
370.11597	2.1
374.10843	1.5
386.14828	7.2
388.12256	2.2
389.13452	1.3
404.15726	100.0
405.12646	2.1
405.16135	6.3
405.21860	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	404.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87238	0.4
55.01857	0.8
55.05512	4.4
57.07061	0.6
62.31118	0.4
67.05179	0.4
67.05504	5.9
69.07067	5.2
72.04542	0.5
79.05490	1.7
81.07051	5.1
82.06588	0.5
83.08610	1.8
85.05276	1.7
86.06031	0.5
91.05473	0.6
93.07023	1.4
95.08604	4.1
97.10164	0.7
98.06052	8.9
98.21486	1.1
103.05447	0.9
105.07014	3.5
107.08562	0.8
109.10178	1.0
110.09694	0.6
112.07601	1.4
113.78031	0.5
116.95860	0.4
119.08643	0.5
121.10110	1.0
123.04417	0.8
123.11767	0.6
124.07626	0.5
133.10144	0.6
140.10721	0.7
142.02672	3.1
184.28722	0.5
208.16930	0.6
212.63284	0.5
213.05498	0.5
236.20065	0.6
249.12808	1.4
306.27896	100.0
307.28180	4.2
327.17480	1.3
331.09543	0.8
349.10596	3.2
386.27902	0.6
404.15015	1.5
405.16852	1.8
405.22101	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05496	1.0
57.03424	0.5
58.05032	0.4
61.02918	0.5
64.97581	0.4
67.05490	1.4
67.48628	0.4
69.03411	1.6
69.07053	0.7
69.48025	3.0
69.48434	0.8
70.06588	0.6
71.04977	0.8
72.08137	1.1
79.05483	1.1
81.03399	0.9
81.07047	1.7
83.04963	1.8
83.08609	0.5
84.08138	0.9
85.02898	3.6
85.40768	0.4
91.05459	1.3
93.07040	1.5
95.04957	1.6
95.08604	3.8
97.02899	2.1
97.06529	2.4
105.07034	1.2
107.04934	0.8
107.08565	1.6
109.02834	0.7
109.06503	1.7
109.10072	0.5
111.04458	0.5
119.04949	0.4
119.08562	1.5
121.02893	0.8
121.06501	0.6
121.10133	4.8
123.08057	100.0
124.08388	2.7
127.03911	0.9
133.06499	0.6
133.10114	1.3
134.35461	0.4
135.08002	0.4
135.11678	1.1
137.05923	0.5
137.09584	0.7
141.63260	0.4
143.01620	0.4
145.04942	0.7
145.10152	1.0
147.04424	2.0
147.11655	0.7
149.09616	1.7
151.03882	0.6
151.07568	0.6
151.11172	6.7
153.01790	0.7
161.06023	0.6
161.13226	0.5
163.11162	1.6
165.01782	0.8
165.12712	0.5
167.07040	3.2
167.10637	2.4
168.07469	0.8
181.04965	0.5
181.12212	8.6
181.13680	0.7
189.12737	1.0
191.03427	0.5
193.08636	1.0
195.02898	1.4
203.03322	1.0
207.13799	4.6
215.07106	0.5
219.02870	0.6
225.14832	20.5
226.15277	0.7
231.02882	1.1
233.08012	0.6
249.03964	2.3
273.07632	0.8
307.15466	0.5
312.17535	0.4
316.97427	0.4
319.78061	0.4
323.15280	0.4
333.13345	0.9
339.08792	0.6
346.44797	0.5
369.09506	0.7
404.09973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75708	0.7
53.03936	0.9
55.01851	1.0
55.05501	1.5
57.03428	1.2
57.07061	0.7
60.29065	0.8
61.02914	1.6
65.41751	0.8
67.05482	2.4
69.03429	4.9
70.06582	3.0
71.51087	0.7
71.59106	0.9
71.59434	1.1
72.08151	5.5
79.05491	1.7
81.03416	1.6
81.07047	6.7
84.08134	1.3
85.02899	43.1
86.03232	1.5
86.09700	2.4
87.04485	0.8
91.05473	14.0
93.07037	2.0
95.08604	2.0
97.02900	4.5
99.04429	1.1
103.05482	1.7
105.07020	3.7
107.04893	1.4
107.08559	2.1
109.02860	1.6
109.06496	1.4
109.10162	4.4
112.07597	0.9
118.04146	1.8
119.04933	22.3
119.08604	3.9
121.10114	3.8
123.04419	1.0
123.11698	42.5
124.07593	1.3
124.12038	1.4
125.05989	2.9
127.03933	2.6
131.04887	1.2
133.06477	2.0
135.08038	0.9
137.05937	1.1
138.09193	1.1
142.08669	0.9
145.02885	1.3
145.04956	2.6
145.10081	2.3
147.04402	24.7
147.07961	1.2
147.11659	6.0
148.04718	1.2
149.02309	1.6
149.09590	2.7
151.07529	1.4
156.10213	1.9
157.03929	1.5
161.05949	1.1
161.13240	1.0
161.60445	0.9
163.04024	0.9
163.07523	1.5
164.04695	1.2
167.07037	10.6
175.03900	42.6
176.04216	2.5
177.05408	1.4
179.07034	2.2
180.08678	2.1
181.08562	1.0
187.07533	1.0
189.12718	9.0
192.04179	11.5
193.08600	2.3
207.06512	100.0
207.13799	29.2
208.06834	6.6
225.07564	43.5
225.09824	1.6
225.14859	7.8
226.07918	3.1
360.51483	0.8
404.08472	6.9
404.15048	1.6
404.20526	1.2
405.09430	1.9
405.16125	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01873	0.3
55.05490	0.3
57.03426	0.3
61.02912	0.4
67.05487	0.2
69.03411	1.0
69.07067	0.2
70.06580	0.9
71.04984	0.3
71.62009	0.2
71.62440	0.3
72.08147	1.3
73.02888	0.2
78.04700	0.7
79.05470	0.6
81.03391	0.6
81.07037	0.5
83.04964	0.3
84.08142	0.3
85.02896	3.3
86.09703	0.4
87.04459	0.2
91.05469	0.6
93.07004	0.2
95.04933	0.3
95.08588	0.4
97.02882	1.4
97.06534	0.5
98.06036	0.2
98.09713	0.2
98.97562	0.2
99.04446	0.4
103.04778	0.2
103.05464	0.2
105.07031	0.5
106.04162	0.2
107.04907	0.6
109.02863	0.6
109.06548	0.3
109.10155	0.2
115.03819	0.2
119.08566	0.4
121.02865	0.7
121.10131	0.3
122.03674	0.2
123.04423	2.1
124.03930	1.7
124.05201	0.8
127.03902	0.9
131.08578	0.3
133.06433	0.3
137.05963	4.3
137.09654	0.2
145.02794	0.2
145.04945	0.5
147.04378	0.9
149.05962	0.2
151.03935	0.5
152.04626	0.7
161.06000	0.3
161.13234	0.2
163.03865	0.3
167.07027	100.0
168.07379	2.9
180.08635	0.9
193.08560	0.5
195.10069	0.2
200.68616	0.2
201.05498	0.3
207.06557	0.2
207.13809	0.3
211.61284	0.2
212.04297	0.2
225.11205	18.7
226.11557	0.5
268.08151	1.4
286.04272	0.3
289.17188	0.2
308.06378	0.4
321.07544	0.6
335.08484	0.2
335.57312	0.2
348.09506	0.7
349.10751	0.2
351.09091	0.2
359.09210	0.2
368.08463	0.2
376.08932	0.8
404.08380	4.5
404.13519	0.2
404.21338	0.2
404.26041	0.3
405.09583	2.7
428.64233	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	404.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	1.0
56.96560	14.6
58.92419	0.9
62.52531	0.8
67.05492	1.8
67.46850	0.8
69.53663	0.8
71.55773	1.7
71.95251	1.1
79.05476	1.9
81.07032	2.2
88.42192	0.9
91.05489	1.2
93.07032	1.2
94.64777	1.0
95.03688	1.0
95.08595	1.2
98.96929	1.7
98.97572	34.7
105.06990	1.2
116.98611	51.8
119.08617	1.3
121.10268	0.9
121.35782	0.8
122.03628	4.2
134.99651	56.3
137.05968	45.1
137.07048	1.7
138.06293	1.3
140.00172	4.7
153.00685	14.7
158.01254	9.8
167.07018	3.0
168.07364	1.7
176.02338	2.2
197.01276	2.0
198.01927	1.4
220.00438	1.4
226.11142	15.3
235.02748	36.5
235.92079	0.9
238.01561	2.9
244.12270	10.4
253.03830	100.0
254.04201	1.5
267.13898	1.9
268.12216	3.4
269.17548	2.1
271.04913	6.6
276.05417	23.9
276.08221	1.7
277.05765	1.6
280.12491	1.3
286.13297	0.9
329.12878	2.1
340.17245	0.9
344.15253	4.8
347.08981	1.2
348.09390	2.1
362.16348	2.2
385.18024	1.3
404.17419	97.6
405.13257	3.2
405.18024	5.4
405.22433	1.7
422.18448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01209	0.5
55.01862	1.4
55.05503	1.0
57.03416	1.4
57.07045	0.8
61.02922	2.7
65.03952	0.8
67.05480	1.9
69.03423	4.5
69.07064	1.0
70.03737	0.5
70.06574	2.0
70.39957	1.4
70.40382	1.4
71.05017	0.6
72.08131	2.5
73.02920	0.8
79.05472	1.9
81.03397	1.8
81.07053	4.7
83.04949	0.9
84.04485	0.8
85.02900	31.4
86.03231	1.1
86.09687	1.0
87.04462	1.2
91.05475	13.9
93.07028	1.2
94.49117	0.7
95.04954	1.9
95.08589	1.9
97.02876	4.1
97.06540	1.0
97.07626	0.6
98.21354	0.7
99.04436	0.9
103.05447	1.8
105.06377	0.6
105.06998	3.3
107.04928	1.9
107.08559	1.9
109.02863	1.9
109.06497	1.5
109.10139	2.3
111.08086	0.7
112.07595	0.7
112.80538	0.6
118.04151	1.0
119.04935	21.7
119.08552	3.3
121.06485	1.1
121.10166	2.6
123.04427	1.9
123.11698	24.1
124.07646	0.7
125.05975	2.1
125.09618	0.8
127.03908	3.1
130.33304	0.5
131.04871	1.2
133.06462	2.0
133.10062	0.6
135.04407	0.5
137.05975	1.5
137.09575	1.3
138.05518	0.6
138.09038	0.8
138.09973	1.1
140.07047	0.8
141.05486	0.5
145.02795	1.6
145.04936	2.9
145.10153	1.1
147.03232	1.2
147.04395	23.5
147.08034	1.5
147.11690	4.2
148.04752	0.9
149.02353	1.5
149.09605	1.6
151.07538	1.1
153.05412	0.6
156.10220	4.6
157.03943	1.5
161.06015	0.8
161.13313	0.6
163.03836	0.6
163.07497	2.0
163.11185	0.6
163.76366	0.5
164.04654	1.5
165.09117	0.7
165.12773	0.5
166.09474	0.6
167.07040	14.8
168.10954	0.9
171.11656	0.6
175.03896	40.0
176.04330	1.4
177.01808	0.6
177.05423	0.9
179.07057	2.6
180.08716	1.2
181.08600	1.1
189.12730	4.6
192.04176	11.5
193.08641	3.1
206.04611	0.7
207.06512	100.0
207.13777	15.9
208.06851	3.9
225.07559	40.3
225.14893	4.4
226.07855	1.3
241.14345	1.7
242.14684	4.2
260.09491	0.5
355.15424	0.7
404.08527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01209	0.5
55.01862	1.4
55.05503	1.0
57.03416	1.4
57.07045	0.8
61.02922	2.7
65.03952	0.8
67.05480	1.9
69.03423	4.5
69.07064	1.0
70.03737	0.5
70.06574	2.0
70.39957	1.4
70.40382	1.4
71.05017	0.6
72.08131	2.5
73.02920	0.8
79.05472	1.9
81.03397	1.8
81.07053	4.7
83.04949	0.9
84.04485	0.8
85.02900	31.4
86.03231	1.1
86.09687	1.0
87.04462	1.2
91.05475	13.9
93.07028	1.2
94.49117	0.7
95.04954	1.9
95.08589	1.9
97.02876	4.1
97.06540	1.0
97.07626	0.6
98.21354	0.7
99.04436	0.9
103.05447	1.8
105.06377	0.6
105.06998	3.3
107.04928	1.9
107.08559	1.9
109.02863	1.9
109.06497	1.5
109.10139	2.3
111.08086	0.7
112.07595	0.7
112.80538	0.6
118.04151	1.0
119.04935	21.7
119.08552	3.3
121.06485	1.1
121.10166	2.6
123.04427	1.9
123.11698	24.1
124.07646	0.7
125.05975	2.1
125.09618	0.8
127.03908	3.1
130.33304	0.5
131.04871	1.2
133.06462	2.0
133.10062	0.6
135.04407	0.5
137.05975	1.5
137.09575	1.3
138.05518	0.6
138.09038	0.8
138.09973	1.1
140.07047	0.8
141.05486	0.5
145.02795	1.6
145.04936	2.9
145.10153	1.1
147.03232	1.2
147.04395	23.5
147.08034	1.5
147.11690	4.2
148.04752	0.9
149.02353	1.5
149.09605	1.6
151.07538	1.1
153.05412	0.6
156.10220	4.6
157.03943	1.5
161.06015	0.8
161.13313	0.6
163.03836	0.6
163.07497	2.0
163.11185	0.6
163.76366	0.5
164.04654	1.5
165.09117	0.7
165.12773	0.5
166.09474	0.6
167.07040	14.8
168.10954	0.9
171.11656	0.6
175.03896	40.0
176.04330	1.4
177.01808	0.6
177.05423	0.9
179.07057	2.6
180.08716	1.2
181.08600	1.1
189.12730	4.6
192.04176	11.5
193.08641	3.1
206.04611	0.7
207.06512	100.0
207.13777	15.9
208.06851	3.9
225.07559	40.3
225.14893	4.4
226.07855	1.3
241.14345	1.7
242.14684	4.2
260.09491	0.5
355.15424	0.7
404.08527	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03933	3.0
55.05508	1.5
56.59111	0.8
57.03425	2.1
57.81776	0.7
68.05035	0.9
69.03423	11.0
70.06590	3.3
70.08284	0.8
71.04979	2.6
71.60567	1.1
71.60963	1.2
72.08145	3.7
73.02913	1.1
78.03449	8.3
80.05002	1.8
80.74310	0.8
81.03410	17.0
81.07027	1.0
81.59090	0.9
83.04972	2.6
84.08139	1.6
85.02898	12.9
86.09715	1.2
91.05471	1.3
94.26715	0.8
96.04481	4.0
97.02885	6.2
98.06063	0.9
98.09682	2.9
98.97542	1.1
99.04472	2.2
101.06008	5.3
103.05416	0.9
106.02904	50.7
107.03248	1.5
109.02869	11.9
110.06036	3.8
112.32602	0.8
116.36028	0.9
116.98619	1.2
119.04927	1.1
122.34348	0.8
124.03941	100.0
125.04282	1.9
127.03900	9.3
133.10060	1.1
137.05928	1.1
138.05495	1.1
145.04922	1.0
147.04388	3.3
150.09148	1.2
152.07059	2.1
156.06526	0.9
166.04977	1.1
167.07043	2.0
172.51762	1.0
207.06551	1.9
232.06113	3.6
242.10214	2.7
250.07091	17.0
251.07399	0.9
268.08136	66.8
269.08493	2.4
282.20380	0.9
286.09244	3.5
404.15408	13.1
404.22067	1.5
405.13565	2.0
428.68295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3568
Annotation	4beta-Hydroxycholesterol
Peak:m/z	Relative Intensity
50.50147	0.4
53.03936	0.9
53.56641	0.4
55.01859	1.3
55.05510	6.3
57.07077	3.4
57.98662	0.4
67.05505	8.1
69.07065	16.9
69.29852	1.1
69.30249	5.4
71.08633	2.9
79.05484	1.4
81.07050	1.8
83.08614	6.8
85.10158	1.0
91.05486	4.7
93.07040	29.4
94.43555	0.4
94.87922	0.5
95.04965	2.2
95.08604	17.0
97.06544	0.9
97.10179	3.3
105.07027	1.1
107.08602	4.4
109.06491	0.8
109.10144	2.3
111.07352	1.0
111.08080	15.1
111.11710	1.8
119.08598	0.7
121.06516	2.6
121.10133	1.9
123.07983	0.8
123.11719	1.0
125.09655	0.9
127.07541	1.5
129.01820	0.6
133.10088	1.1
135.08043	0.7
135.11668	0.4
137.05965	1.2
137.09593	0.7
139.07538	13.8
145.10088	0.6
149.09593	0.9
151.11180	1.4
153.09091	8.9
156.28661	0.6
157.08620	5.3
161.13193	0.8
165.09090	1.0
167.10667	5.2
179.10686	0.9
179.14226	0.6
180.10182	0.6
181.12245	5.4
193.12280	1.3
195.13806	5.0
201.91628	0.4
207.13853	3.5
209.15433	2.8
221.15431	1.6
223.16963	1.8
235.16919	0.6
237.18536	1.2
249.18585	0.9
251.20065	1.7
265.21597	3.1
277.21622	1.7
279.23193	0.9
291.23254	0.8
293.24734	0.8
307.26389	0.8
321.27917	2.0
333.27924	0.8
335.29260	0.8
347.29434	1.2
385.35043	0.5
403.35715	100.0
404.36066	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.05497	8.3
55.72761	1.6
57.07066	3.7
67.05489	12.4
69.07058	15.4
79.05484	5.5
81.07059	23.1
83.08606	5.8
91.05470	7.9
93.07050	20.3
95.04957	2.8
95.08602	35.8
97.06523	3.4
97.10173	2.8
99.00811	4.5
103.05474	2.0
105.07030	26.8
107.08598	28.0
109.06479	2.7
109.10136	22.2
111.08043	2.4
115.88053	2.0
117.07005	4.1
119.08574	45.6
121.10134	25.5
123.04411	2.2
123.08011	2.9
123.11710	9.6
124.27126	2.0
129.01860	4.5
131.08553	8.3
133.10126	33.0
135.11702	22.2
137.13228	5.0
139.11192	3.3
143.08539	3.9
144.10356	2.0
144.61977	2.2
145.10095	20.0
147.11682	18.0
149.05881	1.8
149.13235	5.3
151.11105	2.9
153.05452	3.1
157.10120	4.2
159.11694	14.0
161.09587	2.2
161.13235	14.1
163.07610	1.9
163.14816	8.9
165.12886	2.3
167.07030	3.9
171.11647	2.3
172.53487	1.9
173.13278	4.8
175.14790	5.0
177.12727	4.2
177.16365	3.7
179.14279	3.2
181.04950	7.3
181.12241	3.2
185.13348	2.3
187.14809	7.8
189.16394	21.6
191.10362	2.4
191.17944	11.8
195.06503	16.9
195.13953	1.9
199.14832	4.5
201.16402	7.8
203.17946	7.3
205.19423	2.3
207.17419	46.2
209.07964	9.6
213.16420	3.6
215.17906	4.3
217.19542	2.7
223.09679	7.1
227.17767	3.3
229.19447	2.6
233.18979	2.0
237.11217	4.8
251.12865	4.5
253.19455	2.3
265.14240	3.2
323.27304	12.6
341.28314	5.3
349.28937	4.2
357.27908	2.6
367.29974	24.1
374.22052	1.9
374.52219	1.9
385.27124	2.2
385.31046	18.6
403.15491	44.3
403.20111	3.0
403.28152	41.0
403.32071	100.0
404.15860	6.4
404.32764	4.1
424.18240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36002	0.3
55.01865	1.6
55.02969	0.3
55.05289	0.3
55.05505	3.2
56.30642	0.3
57.03419	1.1
57.04563	1.6
57.07069	0.3
63.58198	0.3
65.03928	0.4
66.92044	0.3
67.05496	1.5
68.99750	0.4
69.03418	1.8
69.07056	3.2
70.06583	1.7
70.57765	0.3
71.01350	0.7
71.04976	1.1
71.63332	0.6
72.08150	20.1
73.02913	0.8
73.08464	0.4
74.07187	0.8
75.78291	0.4
79.05489	3.6
81.03398	1.0
81.07030	1.0
83.04955	2.2
84.04497	0.6
84.08115	1.2
85.02894	2.4
85.06534	0.7
86.09689	1.1
87.04430	0.3
87.07934	0.5
89.03907	0.4
89.10778	3.1
91.05470	1.9
93.07019	1.0
94.26871	0.3
95.04987	1.6
95.08585	1.0
97.02871	3.0
97.06523	22.7
97.07527	2.7
98.06039	4.6
98.09695	0.4
99.04450	0.7
103.05441	0.7
105.07013	2.1
107.04919	1.6
107.08580	0.7
108.18681	0.3
109.02890	1.0
109.06499	1.0
109.10156	0.7
111.04424	0.4
111.09181	0.6
111.31785	0.3
112.09999	0.3
114.09172	0.3
114.10274	3.5
115.03885	0.4
115.05470	0.8
115.08675	2.2
117.03381	0.5
117.07006	0.7
119.04940	0.9
119.08578	0.9
120.01951	0.3
121.02848	1.7
121.03591	0.3
121.06518	0.6
121.10133	1.1
123.04407	2.7
123.08049	1.1
125.05962	0.5
125.09624	0.5
127.03901	1.4
128.11826	15.2
129.01804	0.8
129.06982	0.7
129.10211	3.8
131.04962	0.6
131.08562	0.8
133.06482	1.2
133.10143	0.8
135.04355	1.6
135.11635	0.4
137.05965	0.7
137.09541	0.3
140.08139	0.3
143.08527	0.6
145.02823	1.3
145.04944	0.5
145.06456	0.9
145.14516	0.4
147.04390	2.6
147.08020	0.4
149.05969	1.3
149.09599	0.4
151.03932	0.3
151.07529	0.8
152.04758	0.4
153.05461	0.5
155.08350	0.4
157.06506	0.5
157.10097	0.5
159.07936	0.5
159.11749	0.4
160.05174	1.4
161.02336	1.0
161.05971	7.8
161.13249	0.4
162.03139	0.5
162.06648	0.4
163.03888	36.2
163.11067	0.4
163.49355	0.3
164.04185	2.6
165.05519	0.4
165.06874	0.4
167.03415	0.4
167.05597	0.7
167.07037	10.8
167.08488	0.9
168.07396	0.5
169.05098	0.4
169.06461	1.2
171.07942	0.4
171.12427	0.5
173.02391	0.5
173.05949	3.7
174.06728	0.4
175.03886	2.2
175.06239	0.6
175.07539	1.9
176.04680	0.4
177.05530	1.7
177.09154	0.4
179.06996	0.6
181.04965	0.7
183.02859	0.4
185.05966	0.9
185.09666	1.1
186.06750	0.3
187.07542	1.1
188.07056	0.4
189.01808	1.1
189.05472	1.9
189.09084	7.3
190.09396	0.5
191.06969	0.5
193.05011	0.4
193.08635	2.4
195.08040	3.3
197.05975	0.6
197.09720	0.4
197.11671	0.3
198.06758	0.6
199.07602	0.5
200.04787	0.6
201.05556	0.7
201.09142	0.7
203.07034	1.1
203.10660	0.8
205.08629	0.6
205.12231	0.6
207.02888	1.5
207.13785	0.7
210.06947	0.3
211.09560	0.3
213.05505	0.4
213.09056	3.4
215.07045	4.8
215.10683	1.3
217.04840	0.3
217.08531	1.5
217.58994	0.3
222.06612	0.4
223.07501	0.6
223.13271	1.3
229.05081	0.5
231.10062	2.5
239.06848	0.3
241.08670	2.4
241.14223	0.7
251.07014	0.4
251.13574	0.5
256.07266	0.6
258.11121	0.4
259.09665	4.8
260.10117	0.4
260.12726	0.5
267.06335	0.7
271.05939	1.5
279.06583	0.6
283.06009	5.3
283.09155	0.6
284.06689	2.0
285.15732	0.4
295.06110	0.8
297.07523	1.3
306.08884	0.4
307.06030	0.5
309.07507	1.0
311.08942	0.6
312.15787	0.9
313.07031	4.4
314.07428	0.8
321.07568	1.6
325.07074	0.5
329.18567	4.8
330.16864	5.7
331.17386	0.6
337.07092	1.2
339.08493	0.6
343.07965	0.5
343.11990	0.3
347.09280	0.7
347.19806	1.5
349.07001	0.8
355.07956	0.4
355.11850	0.4
367.08051	5.4
368.08109	0.6
375.08676	0.5
385.08795	1.9
386.20810	5.0
403.08942	3.3
403.23386	100.0
404.10162	0.7
404.23669	6.4
425.02100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36002	0.3
55.01865	1.6
55.02969	0.3
55.05289	0.3
55.05505	3.2
56.30642	0.3
57.03419	1.1
57.04563	1.6
57.07069	0.3
63.58198	0.3
65.03928	0.4
66.92044	0.3
67.05496	1.5
68.99750	0.4
69.03418	1.8
69.07056	3.2
70.06583	1.7
70.57765	0.3
71.01350	0.7
71.04976	1.1
71.63332	0.6
72.08150	20.1
73.02913	0.8
73.08464	0.4
74.07187	0.8
75.78291	0.4
79.05489	3.6
81.03398	1.0
81.07030	1.0
83.04955	2.2
84.04497	0.6
84.08115	1.2
85.02894	2.4
85.06534	0.7
86.09689	1.1
87.04430	0.3
87.07934	0.5
89.03907	0.4
89.10778	3.1
91.05470	1.9
93.07019	1.0
94.26871	0.3
95.04987	1.6
95.08585	1.0
97.02871	3.0
97.06523	22.7
97.07527	2.7
98.06039	4.6
98.09695	0.4
99.04450	0.7
103.05441	0.7
105.07013	2.1
107.04919	1.6
107.08580	0.7
108.18681	0.3
109.02890	1.0
109.06499	1.0
109.10156	0.7
111.04424	0.4
111.09181	0.6
111.31785	0.3
112.09999	0.3
114.09172	0.3
114.10274	3.5
115.03885	0.4
115.05470	0.8
115.08675	2.2
117.03381	0.5
117.07006	0.7
119.04940	0.9
119.08578	0.9
120.01951	0.3
121.02848	1.7
121.03591	0.3
121.06518	0.6
121.10133	1.1
123.04407	2.7
123.08049	1.1
125.05962	0.5
125.09624	0.5
127.03901	1.4
128.11826	15.2
129.01804	0.8
129.06982	0.7
129.10211	3.8
131.04962	0.6
131.08562	0.8
133.06482	1.2
133.10143	0.8
135.04355	1.6
135.11635	0.4
137.05965	0.7
137.09541	0.3
140.08139	0.3
143.08527	0.6
145.02823	1.3
145.04944	0.5
145.06456	0.9
145.14516	0.4
147.04390	2.6
147.08020	0.4
149.05969	1.3
149.09599	0.4
151.03932	0.3
151.07529	0.8
152.04758	0.4
153.05461	0.5
155.08350	0.4
157.06506	0.5
157.10097	0.5
159.07936	0.5
159.11749	0.4
160.05174	1.4
161.02336	1.0
161.05971	7.8
161.13249	0.4
162.03139	0.5
162.06648	0.4
163.03888	36.2
163.11067	0.4
163.49355	0.3
164.04185	2.6
165.05519	0.4
165.06874	0.4
167.03415	0.4
167.05597	0.7
167.07037	10.8
167.08488	0.9
168.07396	0.5
169.05098	0.4
169.06461	1.2
171.07942	0.4
171.12427	0.5
173.02391	0.5
173.05949	3.7
174.06728	0.4
175.03886	2.2
175.06239	0.6
175.07539	1.9
176.04680	0.4
177.05530	1.7
177.09154	0.4
179.06996	0.6
181.04965	0.7
183.02859	0.4
185.05966	0.9
185.09666	1.1
186.06750	0.3
187.07542	1.1
188.07056	0.4
189.01808	1.1
189.05472	1.9
189.09084	7.3
190.09396	0.5
191.06969	0.5
193.05011	0.4
193.08635	2.4
195.08040	3.3
197.05975	0.6
197.09720	0.4
197.11671	0.3
198.06758	0.6
199.07602	0.5
200.04787	0.6
201.05556	0.7
201.09142	0.7
203.07034	1.1
203.10660	0.8
205.08629	0.6
205.12231	0.6
207.02888	1.5
207.13785	0.7
210.06947	0.3
211.09560	0.3
213.05505	0.4
213.09056	3.4
215.07045	4.8
215.10683	1.3
217.04840	0.3
217.08531	1.5
217.58994	0.3
222.06612	0.4
223.07501	0.6
223.13271	1.3
229.05081	0.5
231.10062	2.5
239.06848	0.3
241.08670	2.4
241.14223	0.7
251.07014	0.4
251.13574	0.5
256.07266	0.6
258.11121	0.4
259.09665	4.8
260.10117	0.4
260.12726	0.5
267.06335	0.7
271.05939	1.5
279.06583	0.6
283.06009	5.3
283.09155	0.6
284.06689	2.0
285.15732	0.4
295.06110	0.8
297.07523	1.3
306.08884	0.4
307.06030	0.5
309.07507	1.0
311.08942	0.6
312.15787	0.9
313.07031	4.4
314.07428	0.8
321.07568	1.6
325.07074	0.5
329.18567	4.8
330.16864	5.7
331.17386	0.6
337.07092	1.2
339.08493	0.6
343.07965	0.5
343.11990	0.3
347.09280	0.7
347.19806	1.5
349.07001	0.8
355.07956	0.4
355.11850	0.4
367.08051	5.4
368.08109	0.6
375.08676	0.5
385.08795	1.9
386.20810	5.0
403.08942	3.3
403.23386	100.0
404.10162	0.7
404.23669	6.4
425.02100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1959
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.03933	3.4
55.05494	5.8
57.03431	4.3
61.02904	6.3
67.05499	31.6
69.03419	19.0
69.07047	4.5
69.58263	21.5
70.06567	4.9
71.04972	8.0
72.08140	5.7
73.02901	4.5
79.05475	9.5
81.03402	8.9
81.07043	13.6
82.72195	2.5
83.04964	24.4
84.08115	4.4
85.02898	34.1
86.09704	18.8
86.69958	2.5
87.04437	4.3
89.06025	2.7
91.03897	2.7
91.05466	11.2
92.26540	2.7
93.07023	11.5
95.04965	16.5
95.08591	9.5
97.02887	20.2
97.06542	4.0
98.21452	5.6
99.04434	8.1
105.07010	8.6
106.13299	2.9
107.04962	4.4
107.08596	18.6
109.02863	10.7
109.06511	11.5
109.10145	96.9
111.04428	5.7
111.08067	42.0
115.03914	2.9
115.05419	5.0
119.04930	3.6
119.08577	11.1
121.02861	7.4
121.06494	8.7
121.10137	21.8
122.07285	7.8
123.04411	8.0
123.08044	16.7
125.05965	3.8
125.09618	30.8
127.03897	18.8
129.01785	3.0
129.61018	2.9
133.10156	4.6
135.08018	17.3
135.11682	6.6
137.09608	100.0
138.10413	5.0
139.07529	9.2
139.11156	11.6
141.05513	3.4
145.02748	3.1
145.04980	7.8
147.04420	8.9
147.08112	2.7
149.09612	15.9
151.11165	3.2
152.06952	2.9
153.09076	45.0
157.08633	3.1
159.11662	8.5
161.09575	8.1
161.20840	2.8
163.11220	5.9
165.09119	8.6
167.07004	8.5
167.10654	69.2
173.05963	3.6
177.05481	3.4
177.12720	11.9
179.10686	26.4
187.11211	3.1
189.12206	3.4
195.13768	5.4
197.11664	2.7
201.01610	2.8
201.05391	2.8
205.12259	14.9
219.06464	3.2
223.13254	13.1
229.04889	4.3
241.14311	36.3
257.04443	2.8
332.11710	4.1
347.09061	12.0
375.08588	18.6
403.08038	51.2
403.19214	11.1
403.23630	4.0
404.08240	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	403.1962
Annotation	Spionoside B
Peak:m/z	Relative Intensity
53.03937	2.7
55.01869	3.9
55.05508	3.9
57.03426	9.7
57.07061	1.4
59.04981	2.7
61.02924	9.4
67.05492	6.2
67.28396	1.2
68.99779	1.6
69.03071	2.5
69.03425	29.8
69.07022	2.7
69.43118	11.4
70.06593	7.8
71.04977	4.5
72.08147	10.5
73.02903	2.7
79.05482	1.9
79.56318	1.3
81.03409	8.6
81.07038	8.5
83.04968	8.1
83.08614	2.2
84.04494	2.1
84.08150	2.1
85.02898	78.9
86.06065	2.8
86.09682	7.4
87.04468	7.4
91.03952	3.0
91.05470	11.0
93.07022	3.4
95.04974	6.2
95.08597	5.3
97.02881	23.9
97.06541	5.8
98.06049	1.4
98.09681	1.9
99.04440	4.1
99.08079	2.1
103.03944	2.4
105.07019	3.4
107.04937	1.8
107.08598	6.3
109.02864	7.4
109.06509	6.9
109.10143	10.4
111.04458	2.4
111.08073	17.6
113.02370	3.0
113.06023	2.7
114.10257	1.9
115.03905	2.2
116.22793	1.1
119.04942	15.5
119.08575	4.0
121.02834	3.4
121.06487	2.7
121.10129	8.9
122.07277	2.1
123.04411	7.2
123.08084	7.4
123.11705	6.1
125.05949	3.7
125.09620	13.4
127.03914	17.2
127.07553	8.7
130.04993	1.4
131.07043	5.8
131.08577	1.5
133.10101	3.7
135.08041	2.4
135.11664	3.6
137.05940	3.1
137.09601	34.5
139.07503	9.1
139.11186	7.7
141.05449	11.6
141.08931	1.2
145.04944	12.9
145.10103	1.5
146.06029	1.8
147.04405	19.6
149.05974	1.3
149.09589	8.7
151.11153	3.6
152.06950	1.5
153.09088	23.0
155.10635	4.1
156.10213	1.3
157.04955	4.1
159.11639	1.9
159.22926	1.3
161.05890	1.3
161.09590	4.2
163.03931	2.8
163.11157	4.4
165.09105	28.7
167.07059	10.3
167.10674	18.1
175.03912	20.0
177.12770	6.5
179.10660	10.1
180.23134	1.3
183.10109	1.9
189.05598	1.7
192.04192	4.6
193.08519	1.3
195.13818	2.7
197.11725	20.7
205.12222	11.7
207.06519	46.2
207.13808	2.8
209.04433	3.3
223.08769	9.6
223.13289	28.5
225.07549	23.4
241.09709	4.4
241.14319	100.0
242.14687	2.2
261.76221	1.2
270.84222	1.2
283.05942	2.0
317.09146	1.2
332.11548	2.7
347.09180	2.6
367.08209	2.8
375.08438	2.3
403.08130	19.2
403.14926	14.4
403.19678	8.0
404.08688	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	403.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01853	2.2
67.05468	0.8
68.99777	0.8
69.03420	1.7
70.93410	0.8
70.93752	1.4
78.04683	1.7
79.01833	2.2
79.05485	2.6
85.02882	1.9
86.67268	0.7
91.05511	1.5
93.03402	0.8
93.06989	0.7
95.04939	0.8
97.02871	0.9
98.21409	0.6
103.05473	1.1
105.03398	0.7
105.07013	9.5
106.04197	0.8
107.04946	3.2
111.04435	0.9
115.05419	2.2
115.59011	0.6
118.04159	1.1
119.04935	3.1
121.01987	0.9
121.02856	18.9
121.06511	0.6
123.04414	4.5
124.05178	1.8
131.04895	1.2
132.05602	0.6
133.02847	0.6
133.06482	10.5
134.06808	0.9
135.04419	1.0
138.03152	0.7
141.01782	1.1
145.02814	3.9
146.45164	0.6
147.04390	1.6
152.04674	1.5
155.00229	0.6
159.04471	0.7
161.05969	15.5
162.06387	0.7
163.03975	3.0
165.01787	4.8
165.09105	0.6
167.07025	91.2
168.07352	3.1
175.03871	1.1
177.01846	0.9
177.05508	1.0
179.03372	1.8
181.04974	1.0
181.08521	0.9
183.02919	3.4
185.06076	0.7
187.03943	1.6
191.03342	1.5
192.07693	0.8
193.04955	0.8
193.08583	23.1
194.08936	1.0
195.02957	1.1
203.03369	2.2
205.04977	3.0
205.08696	0.6
207.02692	1.1
211.07683	0.8
211.09653	2.6
213.05386	3.8
219.02864	1.2
227.06993	1.1
229.04871	1.7
231.02881	2.3
239.06915	0.7
241.14384	1.7
243.06502	0.7
247.06013	2.4
249.03883	3.5
251.07083	0.7
255.06458	4.4
256.07248	8.0
265.04974	0.7
267.06366	2.3
268.07162	1.0
270.05106	1.3
271.06009	4.1
279.06561	3.1
280.07043	0.7
281.08041	4.3
283.05988	75.4
284.06708	32.4
285.07260	2.7
293.08145	1.3
295.06006	17.5
296.06235	1.6
297.07538	30.1
298.04767	0.9
298.07922	2.2
305.08066	2.2
307.05927	2.2
308.06781	1.9
309.07516	16.5
310.07822	1.1
311.05487	2.3
311.09085	7.5
312.09396	1.2
313.07016	62.5
314.07275	4.2
321.07544	20.0
322.07855	1.4
323.05386	1.5
325.07007	12.6
326.07477	1.5
337.07019	43.6
338.07401	3.7
339.08646	7.9
340.09076	1.2
343.08075	10.3
343.11890	1.1
344.08398	1.3
349.07001	16.8
350.07303	1.2
367.08084	100.0
368.08389	10.6
385.09128	43.8
386.09470	4.6
403.10193	90.1
404.10532	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	403.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03935	0.2
55.01859	0.5
55.05517	0.2
56.31189	0.1
65.03912	0.1
67.05503	0.2
69.07052	0.2
70.74818	0.3
70.75182	0.1
77.73596	0.1
78.04696	1.1
79.05488	1.9
81.07056	0.4
89.03930	0.1
91.05466	1.1
93.03423	0.1
93.07032	0.8
95.04976	0.7
95.08588	0.3
103.05463	1.7
103.79814	0.1
104.06235	0.5
105.07022	9.2
106.04170	0.5
106.07367	0.2
107.04948	1.5
107.08522	0.2
109.06503	0.2
111.08042	0.2
112.10516	0.1
113.35494	0.1
114.46030	0.1
115.05442	1.6
118.04132	0.5
119.04917	0.2
121.06486	1.5
121.10172	0.2
122.03660	0.3
123.04424	3.6
124.05175	1.3
125.05949	0.3
131.04901	0.5
132.05682	0.6
133.06479	9.1
134.03571	0.1
135.04420	0.2
137.05969	0.5
138.03064	0.1
140.08226	0.1
143.04915	0.2
143.06038	0.5
145.10027	0.1
146.03593	0.4
147.04407	0.2
148.05112	0.1
149.05972	2.0
151.03888	0.7
151.07561	0.2
152.04678	1.2
155.07028	0.2
160.05170	0.4
161.05971	6.5
162.06633	0.2
163.03951	0.1
165.09093	0.2
166.06229	0.6
167.07024	100.0
168.07368	2.5
178.06258	1.3
179.06982	0.5
181.08574	2.1
191.07120	0.2
193.08591	16.3
194.08893	0.4
204.15652	0.1
205.08585	0.2
211.09644	4.7
304.40997	0.1
347.08990	0.2
372.28796	0.1
385.16135	0.4
388.49887	0.1
403.15710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09116	0.4
55.01857	1.2
63.88747	0.5
69.03414	0.8
69.48558	2.7
69.48988	2.0
78.04700	1.9
79.05473	1.9
83.04949	0.5
91.05475	1.0
95.04967	1.3
103.05476	0.9
104.08067	0.6
105.07018	10.9
106.04152	1.1
107.04974	1.6
112.80499	0.5
115.05453	2.1
118.04129	1.3
123.04389	3.0
124.05212	1.3
133.06482	10.3
137.05968	0.8
143.06039	1.2
147.04373	0.8
149.05995	0.8
151.03871	1.1
152.04639	1.9
153.43124	0.5
161.05966	17.6
161.07242	1.1
167.07027	100.0
168.04167	0.6
168.07376	3.6
174.06673	0.5
179.07050	0.7
193.08601	25.1
194.08932	0.7
211.09694	3.0
221.03264	0.6
265.06155	1.2
283.06000	1.0
299.99945	0.6
337.07135	0.7
367.07971	1.1
385.08273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1539
Annotation	Ulexin B
Peak:m/z	Relative Intensity
50.25389	0.6
50.95126	0.6
51.80812	0.8
53.28064	0.6
55.05490	0.7
55.38520	0.6
56.21560	0.6
57.07073	0.8
65.03931	0.8
65.83687	0.6
67.05487	1.3
69.07055	0.9
69.46346	2.2
69.46760	4.0
79.05475	1.0
81.07028	1.7
88.07603	0.8
91.05502	0.8
93.07061	0.9
95.08609	1.8
98.20675	1.3
105.07027	0.9
107.04954	1.9
109.06507	0.8
109.10110	1.1
121.02862	3.9
121.10120	1.0
129.01840	4.1
131.04970	0.8
131.08527	0.9
134.76317	0.6
135.04396	1.7
135.11734	0.9
137.05998	0.7
139.00293	0.8
143.08511	0.9
157.01289	1.4
159.04361	0.7
185.08061	1.5
213.05478	1.9
218.25249	0.7
245.94727	0.8
249.09007	0.9
267.10101	1.1
295.06027	2.1
302.17093	0.7
303.10147	1.2
305.08084	1.4
307.06000	1.0
319.09753	1.4
321.07590	0.9
327.10181	1.6
331.09717	4.6
332.10434	0.8
333.07513	1.0
333.11066	1.1
334.08438	1.0
339.13470	0.8
341.11578	0.8
342.12823	0.7
343.09714	3.3
345.07599	1.3
345.11465	2.1
347.09134	1.8
349.10699	7.6
355.09683	2.2
356.10391	0.7
357.14905	1.2
359.12851	1.4
361.10474	3.8
361.14441	0.9
367.13190	1.8
369.11194	1.3
373.10791	1.7
385.14355	6.8
387.12332	1.5
388.13181	0.8
402.39316	2.2
403.15396	100.0
404.15714	3.7
417.45868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1538
Annotation	Ulexin B
Peak:m/z	Relative Intensity
53.17879	0.1
55.05492	0.4
64.01927	0.1
65.03920	0.2
67.05479	0.5
69.07034	0.2
70.04059	0.4
71.62815	0.2
79.05475	0.4
80.91591	0.1
81.07037	0.5
83.08563	0.2
84.07452	0.1
88.07631	0.2
91.05467	0.4
93.06992	0.2
95.04976	0.3
95.08598	0.5
96.05580	0.1
105.03374	0.3
105.07019	0.5
107.04942	1.3
107.08597	0.2
108.05608	0.2
109.06476	0.2
109.10150	0.3
109.10891	0.2
111.04430	0.2
112.05045	0.2
112.38569	0.2
117.07001	0.2
119.04922	0.5
121.02853	2.7
121.10113	0.3
126.06631	1.9
126.99464	0.3
129.01831	0.2
131.04883	0.3
131.08508	0.2
133.02818	0.6
133.06485	0.2
135.04367	1.2
143.08572	0.3
145.06506	0.4
145.10117	0.2
147.04454	0.3
157.06448	0.2
159.04459	0.7
159.08070	0.2
159.11662	0.2
161.02274	0.3
163.11179	0.1
165.07031	0.4
169.06529	0.4
171.04442	0.1
171.08066	0.4
173.05960	0.2
178.07829	0.2
179.08545	0.2
180.09293	0.2
181.06584	0.2
183.07993	0.2
185.05942	0.3
187.07529	0.5
188.03876	0.3
189.05493	0.4
193.10168	0.4
195.08052	0.2
197.06007	0.3
197.09598	0.2
198.06749	0.2
199.03146	0.2
199.07559	0.3
202.01749	0.7
203.07001	0.2
205.05121	0.2
208.99197	0.4
209.09596	0.2
211.07617	0.4
213.05455	1.4
221.09575	0.4
223.00745	0.3
223.11281	0.2
225.05397	0.4
225.09061	0.4
226.09871	0.5
227.06981	0.2
231.08228	0.2
235.07599	0.3
239.06879	0.2
239.10620	0.2
244.08812	0.3
245.09607	0.4
248.08289	0.2
249.09105	0.4
251.00243	3.1
251.07027	0.2
253.08752	0.2
255.06566	0.2
258.10400	0.3
259.11176	0.4
260.08182	0.2
261.99487	0.4
263.00208	1.9
263.10620	0.2
264.98163	6.0
265.08676	0.2
266.01257	0.2
267.07294	0.1
267.10135	0.9
271.07416	0.3
272.08121	0.3
274.09982	0.3
275.10547	0.2
276.07834	0.2
277.08591	0.4
279.06564	0.2
283.06030	0.4
285.09021	0.2
287.10654	0.6
289.08557	0.3
290.09305	0.2
291.06641	0.2
291.10025	0.2
292.07098	0.1
295.06000	1.5
296.06070	0.2
296.11847	0.2
299.10706	0.3
300.07849	0.2
301.08701	0.4
303.10190	0.7
305.08170	0.8
306.08887	0.2
307.05966	0.8
307.09531	0.3
309.07648	0.6
313.08545	0.2
314.09293	0.4
314.12787	0.2
315.10065	0.9
316.10989	0.2
317.08279	0.6
318.08856	1.0
319.06369	0.2
319.09750	1.2
320.10312	0.3
321.00900	0.5
321.07516	1.8
324.11359	0.4
325.12143	0.2
327.10129	0.6
328.11026	0.2
329.08197	0.2
329.15158	0.2
331.09619	3.3
331.13477	0.3
332.03357	0.3
332.10294	0.5
333.07507	0.6
333.11197	1.0
334.08295	0.4
335.02432	0.4
335.09177	0.2
337.10785	0.3
339.13916	0.3
341.07858	0.6
341.11807	0.6
342.08719	0.2
342.12546	0.4
343.09598	2.6
343.13303	0.2
344.10110	0.3
345.07516	0.8
345.11252	1.3
346.08215	0.2
347.09167	1.2
348.09888	0.6
349.10703	6.7
355.09628	2.7
356.10156	0.4
357.11081	0.6
357.14987	0.7
359.09036	0.6
359.12830	0.7
360.13556	0.3
361.10593	2.7
361.14404	0.3
363.12317	0.4
367.13251	1.3
369.11160	1.3
370.11804	1.0
371.12659	0.3
373.10666	1.5
374.04440	0.8
374.11444	0.3
375.12195	0.8
375.16132	0.6
385.14343	6.2
386.14590	0.2
387.12140	1.0
388.13065	1.0
402.38663	0.4
403.15375	100.0
404.05603	10.4
404.15662	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	403.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
61.63250	0.2
63.87259	0.2
65.03944	0.4
65.95113	0.2
67.05495	1.1
69.07060	1.0
70.81602	0.7
70.81987	0.3
79.05479	0.6
81.07043	1.5
87.04458	0.3
91.05476	1.0
93.07026	0.6
95.04939	0.2
95.08597	0.8
99.27985	0.2
105.07015	0.7
107.04956	1.7
107.08552	0.6
109.10165	0.5
111.04411	0.3
117.07005	0.3
119.04913	0.7
119.08520	0.3
121.02859	3.4
121.10117	0.3
129.01823	0.4
129.06937	0.2
131.04939	0.5
131.08505	0.4
133.02840	0.5
133.10086	0.6
135.04416	1.4
135.05289	0.2
141.06949	0.3
145.02881	0.3
147.04408	0.3
147.11690	0.5
155.08560	0.3
157.06482	0.4
158.24565	0.2
159.04419	0.6
159.11749	0.3
167.06996	0.4
169.06516	0.4
171.08060	0.3
183.08133	0.3
187.07520	0.5
193.10321	0.2
195.07947	0.4
197.06013	0.6
199.07532	0.5
203.06956	0.3
208.08801	0.3
209.09605	0.3
211.07567	0.4
213.05481	2.0
221.09517	0.5
223.11130	0.4
225.05438	0.5
225.09041	0.3
226.09860	0.3
232.08746	0.3
237.05533	0.3
239.06969	0.4
239.10855	0.4
244.08789	0.4
245.09631	0.4
249.09091	0.4
253.08588	0.3
259.11169	0.3
267.07004	0.2
267.10126	1.0
274.09998	0.6
283.06009	0.5
287.10703	0.5
289.08798	0.3
295.06046	1.5
295.11267	0.3
298.10184	0.3
299.10480	0.4
301.12250	0.2
303.10141	1.1
305.08014	1.0
305.26648	4.8
307.06149	0.6
307.09467	0.4
309.07855	0.3
314.09299	0.7
315.10217	0.8
317.08081	0.9
318.08841	0.8
319.09665	1.5
321.07803	1.9
321.10959	0.4
324.11450	0.5
327.10037	1.0
329.08041	0.4
329.71210	0.3
331.09607	4.2
332.10242	0.5
333.07462	0.7
333.11224	1.3
334.08139	0.6
339.13666	0.4
341.07990	0.7
341.11694	0.9
342.08807	0.4
342.12485	0.5
343.09586	3.3
343.13287	0.4
345.07489	0.7
345.11249	1.4
347.09241	1.6
347.12897	0.4
348.09943	0.7
349.10696	6.8
350.10883	0.4
355.09607	2.7
356.10178	0.6
356.14087	0.4
357.10989	0.6
357.14896	1.0
359.08987	0.5
359.12933	0.7
361.10593	2.8
361.14505	0.4
362.11301	0.4
363.11838	0.3
367.13306	1.2
369.11246	1.3
370.11935	1.0
371.12909	0.4
373.10715	1.6
374.11282	0.5
375.12207	0.8
375.16003	0.7
385.14340	5.9
386.14850	0.4
387.12305	1.3
388.13049	1.1
403.15375	100.0
404.15817	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	403.1537
Annotation	Ulexin B
Peak:m/z	Relative Intensity
55.05510	0.3
57.07064	0.2
63.58654	0.2
65.03913	0.3
66.81297	0.2
67.05497	1.0
68.05806	0.2
69.03414	0.3
69.07056	0.5
71.62404	0.3
71.62798	0.2
79.05492	0.5
81.07031	0.8
82.24031	0.1
83.08594	0.2
86.58026	0.2
91.05460	0.7
91.36075	0.2
93.07040	0.5
94.89228	0.2
95.04946	0.4
95.08595	0.7
98.06060	0.2
105.03381	0.4
105.07011	0.6
107.04960	1.5
107.08575	0.5
109.06532	0.3
109.10140	0.4
117.07038	0.3
119.04909	0.5
119.08566	0.3
121.02859	3.1
121.06487	0.2
121.10120	0.4
129.01810	0.3
129.06976	0.3
131.04955	0.2
131.08580	0.3
133.02878	0.6
133.10152	0.3
135.04430	1.2
135.11638	0.3
141.06979	0.3
143.08519	0.2
145.06436	0.4
145.10066	0.3
147.11649	0.2
149.09837	0.2
157.06479	0.3
159.04414	0.7
159.08058	0.2
165.06961	0.3
167.07051	0.5
167.08490	0.3
169.06442	0.3
171.08070	0.2
181.06425	0.2
185.08231	0.2
187.07518	0.4
189.05478	0.3
193.10091	0.4
197.06050	0.5
198.06812	0.2
199.07532	0.3
203.07066	0.4
211.07501	0.5
213.05449	1.5
213.12860	0.2
215.06975	0.2
221.09706	0.3
224.08281	0.3
225.05478	0.5
225.09106	0.4
226.09933	0.3
237.09042	0.2
239.06860	0.2
244.08765	0.3
245.09633	0.4
248.08255	0.2
249.09126	0.5
251.07224	0.2
253.08525	0.2
253.12352	0.3
259.11206	0.3
263.07166	0.2
263.10541	0.3
265.08765	0.2
267.06232	0.2
267.10184	0.7
274.09866	0.3
277.08554	0.3
283.05664	0.2
286.09998	0.2
287.10654	0.7
289.08545	0.4
290.09464	0.3
293.08228	0.4
295.05997	1.6
295.11429	0.2
299.10681	0.2
300.08017	0.2
301.08679	0.2
303.06812	0.2
303.10156	0.6
305.08148	1.0
305.26657	3.6
306.08612	0.3
307.05945	1.0
307.09488	0.4
309.07712	0.3
313.08621	0.2
314.09464	0.4
314.12952	0.2
314.91953	0.2
315.10260	0.8
315.80521	0.2
316.11368	0.2
317.08102	0.8
317.11646	0.3
318.08728	1.1
319.09558	1.2
321.07565	2.1
321.11090	0.3
323.09192	0.2
324.11603	0.3
327.10236	0.8
329.08047	0.3
331.09570	3.9
332.10242	0.4
333.07526	0.6
333.11200	1.5
334.08334	0.6
335.09204	0.3
337.10614	0.3
339.13806	0.4
341.08008	0.5
341.11731	0.4
342.12512	0.5
343.09628	3.0
343.13437	0.2
345.07516	0.9
345.11270	1.3
347.09177	1.5
348.10068	0.4
349.10690	6.6
355.09613	2.9
355.13556	0.3
356.10370	0.2
357.11118	0.7
357.14859	0.6
359.09015	0.6
359.12851	0.6
360.13498	0.3
361.10681	2.4
361.14447	0.4
362.10938	0.2
367.13199	1.8
369.11343	0.9
370.11951	1.0
371.12823	0.3
373.10693	1.1
375.12177	0.8
375.16144	0.5
385.14279	6.1
386.14548	0.3
387.12305	0.9
388.12933	1.2
403.15372	100.0
404.15714	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	403.1384
Annotation	Piscerythrone hydrate
Peak:m/z	Relative Intensity
50.14790	0.6
53.03931	1.3
55.01848	0.9
55.05481	1.7
57.07041	0.6
59.05000	5.6
67.05505	3.3
69.03416	3.0
69.07027	1.8
69.47389	1.2
69.47797	4.6
72.08125	1.4
79.05487	2.8
81.03374	1.9
81.07056	4.9
82.09829	0.6
83.04954	0.9
83.08590	1.1
84.08100	0.5
85.02866	1.6
85.06508	1.3
91.05485	3.3
93.07027	3.1
95.04953	1.9
95.08584	3.4
97.02893	3.7
97.06496	1.0
97.10152	0.8
99.04419	1.2
103.05435	1.1
105.06375	0.9
105.07017	7.1
107.04925	1.7
107.08601	2.8
109.02866	1.0
109.06467	0.9
109.10165	2.9
111.04441	0.8
111.08055	0.8
115.05421	1.5
117.03385	0.7
117.07006	0.6
119.04971	0.8
119.08583	2.8
121.06458	1.0
121.10149	2.8
123.04385	2.0
123.07967	0.7
123.11695	1.2
124.05190	1.0
125.05972	1.7
127.03873	1.8
129.01770	0.7
129.06967	0.6
131.04857	1.0
131.08533	0.9
133.06479	4.5
133.10104	1.4
134.03630	1.3
135.04347	0.8
135.11609	1.8
137.02327	3.0
137.05949	1.4
139.03854	0.9
145.10106	0.8
147.04398	3.2
147.11621	1.2
149.05952	1.2
149.09605	0.8
149.13255	1.3
150.03085	1.1
151.03902	1.4
153.05406	1.3
155.08565	0.7
159.04503	0.7
159.08102	0.6
159.11557	0.7
160.05209	0.7
161.05956	4.9
161.13118	0.8
163.03865	1.6
164.81995	0.7
165.01813	2.3
167.07031	29.1
168.07344	1.0
173.05948	0.9
175.03900	1.8
175.14905	0.8
175.46391	0.6
178.02664	1.4
179.03386	5.1
181.04918	1.4
183.08080	0.7
189.05455	0.8
191.07014	1.0
193.04988	1.0
193.08594	10.4
195.02902	0.9
196.03674	4.0
201.05539	0.7
203.07063	0.7
205.08565	1.0
207.06470	0.8
211.07661	1.0
211.09589	1.6
213.05522	0.7
221.06105	0.6
225.05374	0.6
227.06956	1.6
237.05519	0.7
239.06989	2.7
241.04901	1.1
255.06567	6.6
256.07404	2.9
259.06036	1.5
267.06476	5.4
269.07968	0.8
270.17480	0.7
271.09598	2.0
283.06070	1.5
284.06750	1.8
285.07553	0.9
294.05423	1.0
295.06021	9.8
295.09317	1.4
296.06409	0.7
297.07608	1.5
298.04773	1.8
299.05634	0.7
299.09015	1.2
300.06339	1.3
303.04828	1.1
309.07434	1.1
311.05496	14.9
311.08829	1.0
312.06232	34.4
313.06921	7.0
325.07013	1.3
327.08600	100.0
328.08975	4.7
329.10257	0.9
337.07196	0.8
338.07669	1.2
339.08630	2.7
341.13742	1.7
342.07520	0.8
343.08136	0.8
347.08786	0.8
352.09421	1.5
357.09818	3.5
367.11682	5.8
370.10684	0.9
385.12753	77.9
386.13153	3.7
403.13861	63.1
404.14215	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	403.1022
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01865	1.8
55.05503	1.5
57.03411	1.2
62.31345	0.6
67.05493	1.9
69.03416	3.0
69.07053	2.7
70.06560	0.8
70.18126	2.0
70.18541	1.3
72.08134	1.5
79.01842	2.7
79.05492	3.1
81.03403	2.8
81.07051	5.8
83.04953	1.2
85.02895	1.8
85.06505	0.9
87.87441	0.7
91.05461	2.6
93.03383	0.9
93.07031	3.3
95.04956	2.3
95.08617	3.5
97.02883	4.6
97.06532	8.6
98.21414	0.8
100.11229	1.4
103.05472	0.9
105.07014	7.4
107.04944	3.2
107.08596	2.5
109.02890	1.5
109.06489	1.1
109.10152	3.1
111.04429	1.4
111.08008	0.7
115.03941	0.9
115.05476	1.7
117.06973	1.2
119.04945	3.6
119.08562	2.0
120.05712	0.8
121.02857	18.4
121.06487	1.3
121.10149	1.9
123.04414	3.1
123.11704	1.6
124.05208	1.0
125.09628	0.9
127.03902	1.7
128.11804	2.4
129.01794	1.6
131.04890	1.4
133.06482	4.7
133.10132	2.1
135.04358	0.8
135.08095	1.0
135.11710	1.7
137.05939	1.2
143.08539	1.3
145.02826	3.2
145.06450	1.2
145.10085	1.4
147.04362	1.5
149.05917	1.2
149.09790	0.7
149.13264	1.0
151.07492	1.0
152.04721	0.9
153.01836	1.0
153.05380	1.6
159.04454	0.7
159.11598	1.3
161.05975	4.7
163.03888	10.4
165.05510	0.9
167.07028	49.2
168.07321	1.1
169.10123	0.9
171.11774	0.9
173.02373	2.7
173.13179	1.2
175.03955	1.3
177.01855	0.8
177.05482	2.1
179.03395	1.4
179.07047	0.8
181.04936	1.7
181.08585	2.7
185.09654	0.7
187.03947	1.1
191.03412	1.6
191.07008	1.2
193.08627	11.1
201.05501	1.0
201.16333	0.8
203.03401	0.9
205.05003	5.1
207.02972	1.3
211.07669	1.0
211.09549	1.5
213.05464	3.7
215.07008	3.5
219.02997	1.0
227.07024	2.1
228.07774	0.8
229.04988	1.6
231.02936	1.7
238.06540	0.8
242.05719	0.9
243.06534	1.5
247.06024	1.5
249.03886	4.1
251.07097	1.0
255.06509	6.5
256.07214	8.5
259.09659	5.9
268.07327	1.1
271.06012	2.1
279.06473	1.5
283.05991	52.2
284.06741	39.9
285.07327	3.4
295.06006	13.7
296.06488	1.1
297.07556	32.3
298.04684	1.5
298.07861	1.7
305.08057	1.6
307.06085	1.8
308.06787	2.3
309.07541	9.3
311.05447	2.5
311.09091	7.3
313.07019	64.6
314.07324	4.5
321.07626	5.1
323.05515	1.0
324.06500	1.3
325.06992	10.2
326.07520	1.1
327.08591	2.2
329.18488	1.1
337.07019	28.0
338.07318	1.6
339.08600	8.3
341.09863	0.8
343.08109	12.8
343.11914	1.3
344.08691	0.9
349.06958	6.1
349.10556	1.1
349.27701	0.8
367.08075	75.6
368.08374	6.1
385.09109	49.7
385.16879	1.4
386.09424	4.8
403.10168	100.0
403.23169	15.8
403.33447	3.6
404.10492	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	403.102
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
50.71411	0.3
53.26791	0.3
55.01861	1.0
55.05490	0.4
57.03421	0.5
61.02903	0.5
65.03935	0.8
67.05480	0.7
68.99804	0.8
69.03409	1.0
69.30639	2.3
69.31046	0.8
71.04981	0.3
72.08131	0.9
78.04682	1.1
78.38998	0.3
79.01513	0.3
79.01856	2.8
79.05488	1.6
81.03397	1.3
81.07037	1.0
83.04983	0.3
85.02914	1.6
91.05473	1.4
91.10540	0.3
93.03416	0.5
93.07026	0.7
95.04945	1.5
95.08575	0.7
96.02097	0.3
97.02888	2.9
97.06522	1.5
99.04453	0.3
103.03880	0.3
103.05457	1.3
105.07017	6.6
106.04140	0.3
107.04975	1.5
107.08564	0.4
109.02864	1.0
109.06477	0.4
109.10169	0.3
111.04436	0.9
115.05451	1.4
117.03370	0.4
117.83569	0.3
118.04153	0.6
119.04932	2.5
119.08511	0.3
120.05695	0.4
121.02856	18.6
121.06503	0.3
122.03162	0.4
123.04419	2.9
123.08044	0.8
124.05186	1.2
125.05942	0.3
127.03893	1.0
131.04904	1.0
131.08556	0.4
132.05580	0.3
133.05473	0.4
133.06480	5.6
137.05957	0.5
138.03166	0.4
143.03331	0.3
145.02812	2.7
145.06458	0.4
147.04382	0.8
149.05954	0.8
149.13147	0.3
151.03896	0.9
152.04665	0.7
153.01813	0.6
157.06419	0.5
159.08047	0.4
161.02263	0.3
161.05983	8.9
163.03905	2.8
165.01811	1.2
167.03374	0.9
167.07027	50.9
168.04256	0.4
168.07372	1.5
169.06468	0.5
171.02911	0.9
173.02354	0.4
173.06046	0.7
175.03909	0.7
177.01794	0.6
177.05396	1.2
179.03401	1.4
179.06958	0.3
181.04901	0.5
183.02892	1.4
185.05956	0.6
187.03908	1.3
187.07527	0.4
189.01857	0.4
189.05525	0.5
191.03389	0.7
192.07774	0.4
193.04965	0.7
193.08586	12.8
195.02837	0.5
197.06036	0.5
201.05460	0.5
203.03366	1.2
205.04959	3.9
205.08566	0.4
207.02826	1.3
211.07530	0.8
211.09644	1.1
213.05444	4.4
215.07121	1.5
217.05054	0.7
219.02916	0.5
219.06555	0.5
227.06943	1.2
228.07762	1.2
229.04904	1.1
231.02899	1.7
239.07007	0.8
241.04939	0.5
243.06496	1.2
247.06018	2.3
247.15424	0.4
249.03886	3.7
251.07089	0.6
255.06480	7.0
256.07291	8.3
259.05859	0.4
259.09656	1.2
265.04926	0.5
266.05850	0.4
267.06403	0.7
268.07300	0.7
269.08142	0.6
270.05182	0.8
271.05981	1.9
279.06451	1.3
281.08026	0.6
283.05991	58.9
284.06747	40.6
285.07358	3.8
289.07108	0.6
293.07996	0.4
295.05997	16.0
296.06415	1.1
297.07538	27.9
298.04556	0.9
298.07907	1.4
305.08066	2.5
307.06006	1.7
308.06772	1.7
309.07587	5.0
310.07782	0.4
311.05447	3.3
311.09097	8.0
312.09390	0.4
313.07022	65.6
314.07327	3.2
316.05801	0.6
321.07562	6.1
322.07935	0.4
323.05435	2.8
324.06082	1.0
325.07043	9.4
326.07333	0.6
327.08533	1.7
337.07019	18.3
338.07306	0.9
339.04657	0.7
339.08588	8.0
340.08887	0.6
343.08105	11.6
344.08426	0.7
349.07001	6.5
355.08041	1.3
367.08090	70.3
368.08481	3.6
385.09128	41.5
386.09726	1.7
403.10199	100.0
403.23401	3.7
404.10574	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	403.102
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01881	3.3
55.75687	0.7
57.03435	0.8
61.50098	0.7
67.05479	0.8
68.99819	1.3
69.03438	2.9
69.31249	9.2
71.05007	1.1
75.98152	0.7
78.04725	1.2
79.05512	2.7
81.03437	2.8
81.07078	2.0
85.02923	2.2
87.87782	0.8
91.05499	1.8
93.07069	0.8
95.04985	2.1
95.08648	1.0
97.02875	10.3
97.06545	1.8
99.04480	1.5
103.05530	1.0
105.07001	3.6
107.04964	1.0
107.08622	1.5
109.02894	1.9
109.10188	0.7
109.77994	0.8
111.04454	1.7
115.05450	0.9
119.04910	4.9
121.02856	18.8
121.03691	1.0
121.55044	0.7
123.04466	1.3
127.03934	3.4
130.05505	0.8
131.04953	0.7
133.06502	2.3
133.10207	1.2
135.04411	1.1
141.01820	1.3
145.02837	4.6
147.04431	1.4
151.07579	1.6
161.05981	4.0
163.03903	6.2
165.01830	10.0
167.03407	2.3
167.07033	24.0
175.03932	2.0
175.89508	0.8
177.01773	0.9
179.03403	2.3
181.05011	2.2
183.02895	5.7
187.03880	3.0
191.03351	1.7
193.04953	1.8
193.08623	6.1
195.06427	1.0
203.03467	2.2
205.04976	2.8
206.38591	0.8
207.02907	1.5
213.05466	2.2
221.04436	1.9
227.06987	1.1
229.05058	3.4
231.02855	2.4
239.06996	1.0
243.06245	0.9
247.05928	0.9
249.03925	2.7
255.06557	3.1
256.07269	4.6
259.09781	1.2
267.06580	3.4
268.07275	1.1
269.07983	0.8
270.05344	1.4
271.05963	6.2
273.03690	0.9
279.06516	3.7
281.08057	8.4
283.05984	83.7
284.06702	24.4
285.07465	1.8
293.08035	4.0
295.06036	12.6
296.06311	0.9
297.04477	0.9
297.07541	26.3
298.08044	1.0
305.08115	2.1
307.05933	4.7
308.06830	1.9
309.07550	24.3
310.07861	2.1
311.05756	1.5
311.09088	6.1
313.07016	61.3
314.07373	2.8
321.07544	34.1
322.07703	1.8
325.07007	12.2
337.07028	62.1
338.07394	3.3
339.08572	6.9
343.08029	5.6
349.07001	27.0
350.07526	1.5
367.08090	100.0
368.08459	5.6
385.09128	29.1
386.09579	1.5
393.44339	0.8
403.10168	67.9
403.23160	1.8
404.10449	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	403.1022
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
53.03925	0.7
55.01877	3.5
55.05477	0.6
56.08599	0.6
61.02885	1.0
65.03931	0.6
67.01828	0.6
67.05473	1.1
68.99765	1.2
69.03395	1.7
69.07022	0.7
70.44067	2.0
71.04969	0.8
72.08118	0.9
79.05450	1.2
79.50905	0.7
81.03363	0.9
81.07013	1.1
83.04969	0.6
84.08136	1.1
85.02865	2.2
85.06523	0.7
90.22701	0.7
91.05437	1.9
92.99735	1.1
93.07016	1.0
95.04939	1.0
95.08570	0.9
97.02882	3.5
97.06477	1.0
105.07008	1.0
107.04930	1.3
107.08536	0.8
109.02846	1.4
109.10136	0.8
111.08011	0.5
119.04930	4.0
121.02855	15.2
121.10107	1.3
123.04396	0.7
127.03880	3.5
131.04942	1.2
131.37863	0.6
133.02771	0.8
133.06445	0.6
133.10141	0.7
135.04384	0.7
137.02396	0.6
141.01804	2.1
145.02850	4.3
147.04387	2.3
149.02348	1.0
149.06026	0.6
153.01791	0.6
159.04424	0.8
161.05977	1.2
163.03827	5.3
165.01811	10.2
165.03084	1.1
167.03413	3.5
167.07024	6.7
169.02863	1.0
175.03844	2.1
177.01834	1.1
179.03354	2.5
181.04932	1.8
183.02859	6.6
187.03912	1.6
191.03287	1.4
193.04926	1.1
193.08537	1.4
195.02829	1.8
201.05217	0.6
203.03386	3.6
207.02812	1.6
221.04414	2.6
229.04933	2.9
231.02840	2.2
239.06973	1.6
248.08040	0.7
249.03957	1.5
255.06404	1.1
256.07013	0.9
267.06546	6.1
270.05215	2.4
271.06039	6.9
273.03796	1.2
279.06525	3.2
281.05133	1.0
281.08093	9.0
282.08420	0.9
283.05978	83.0
284.06622	11.4
285.07538	0.8
293.08026	4.0
293.10849	0.7
295.05948	11.9
296.06439	1.0
297.04144	0.7
297.07507	14.7
305.08044	2.1
307.05951	3.8
309.04202	0.9
309.07523	25.7
310.07803	1.5
311.05765	0.9
311.08954	3.7
313.07031	48.7
314.07458	2.3
321.07544	39.7
322.07822	3.3
323.05548	0.8
325.07013	7.4
326.07584	0.8
331.05969	0.7
337.07016	49.0
338.07315	3.6
339.08569	3.0
343.08224	0.7
349.07016	29.6
350.07413	1.6
367.08087	100.0
368.08514	8.4
385.09088	17.9
386.09521	1.2
403.10178	14.0
403.15033	0.9
403.23462	1.6
404.10648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1016
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
55.01868	3.9
65.03928	0.7
68.99775	1.7
69.03403	1.1
71.54532	0.6
79.05473	0.6
81.03419	0.5
85.02892	0.4
91.05457	1.2
92.99750	0.6
93.03360	0.6
95.04928	0.8
97.02869	0.7
105.03331	0.4
105.07028	0.7
107.04941	1.3
109.02816	0.5
111.04414	0.7
119.04220	0.4
119.04946	5.0
121.02856	17.5
131.04889	1.2
133.02832	0.5
133.06471	0.6
135.04410	0.8
137.02290	0.5
141.01785	1.6
145.02835	5.1
147.04373	1.4
147.76317	0.4
149.02318	1.2
153.01865	0.4
159.04420	0.6
161.02318	0.7
161.05937	1.4
163.03903	6.7
165.01820	13.2
165.05490	0.8
165.96181	0.3
167.03433	2.7
167.07030	5.0
169.02866	0.8
175.03851	2.4
177.01813	1.1
179.03401	2.9
181.05002	1.8
183.02881	6.9
187.03917	2.1
189.01727	0.7
191.03339	2.7
193.04926	1.4
193.08580	0.9
195.02905	1.9
195.16592	0.4
197.04362	0.6
197.06026	0.4
198.15402	0.3
203.03365	3.8
205.04932	0.8
207.02831	1.4
213.05348	0.4
215.07132	0.3
221.04437	2.0
222.85759	0.3
229.05000	2.2
231.02890	2.0
239.07079	1.2
249.03868	2.2
253.08577	0.4
255.06557	1.3
256.07248	1.5
260.81387	0.4
263.07266	0.4
267.06512	6.8
269.08148	0.5
270.05133	2.1
271.06003	5.6
273.03860	1.7
279.06458	4.5
281.04828	0.6
281.08063	11.6
282.08533	0.5
283.05984	100.0
284.06638	14.9
285.07401	1.0
291.06442	0.5
293.08005	5.8
294.05032	0.7
295.05972	15.2
296.06403	0.6
297.03876	0.9
297.07523	16.8
298.08002	0.9
303.06549	0.5
305.08047	2.8
307.06018	5.1
308.06665	1.2
309.04272	1.3
309.07526	36.9
310.07895	2.1
311.05539	0.8
311.09073	6.0
313.07028	52.5
314.07471	2.1
319.05923	0.4
320.06915	0.9
321.07550	48.5
322.07861	2.5
323.05737	0.7
325.07043	10.1
326.07309	0.5
331.06183	0.5
337.07022	70.4
338.07434	3.8
339.08569	5.2
343.08160	1.4
349.07028	37.6
350.07425	2.5
367.08087	95.8
368.08456	5.5
385.09109	16.7
386.09625	0.8
403.10193	25.0
404.10464	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01870	3.2
55.05514	0.2
57.03438	0.2
61.02916	0.9
65.03952	0.7
67.01873	0.2
67.05496	0.5
68.99459	0.4
68.99771	1.6
69.03436	0.9
69.07090	0.3
70.06582	0.4
71.05000	0.2
72.08148	1.7
79.01842	0.2
79.05486	0.9
81.03427	0.8
83.04999	0.3
84.08128	0.3
85.02916	0.7
89.10808	0.3
91.05460	1.2
92.99805	0.6
93.03419	0.5
93.07053	0.2
95.04961	0.9
95.08615	0.2
97.02884	1.8
97.06550	1.0
97.07647	0.2
98.20760	0.4
103.05465	0.5
105.03403	0.7
105.07041	0.4
107.04946	1.3
109.02884	0.7
109.10159	0.3
111.04449	0.6
114.10289	0.3
115.05535	0.2
117.06996	0.2
119.04932	4.7
121.02852	17.3
121.10132	0.2
122.03190	0.3
123.00880	0.2
123.04424	0.5
127.03931	0.4
128.11823	1.0
131.04901	1.5
133.02858	0.5
133.10159	0.2
135.04422	1.0
137.02345	0.6
137.05966	0.2
141.01805	1.6
142.50980	0.2
145.02826	5.8
146.03218	0.2
147.04375	1.2
149.02333	1.3
149.05946	0.2
151.03856	0.2
153.01846	0.6
153.05524	0.2
157.06499	0.2
159.04434	0.7
161.02347	0.5
161.05972	0.9
163.00278	0.2
163.03886	8.2
164.04149	0.2
165.01813	13.8
165.05489	0.4
166.02289	0.3
167.03386	3.5
167.07047	1.8
167.08472	0.4
169.02811	0.9
171.04446	0.3
173.05957	0.6
175.03867	2.3
175.07524	0.3
177.01854	1.3
177.05498	0.4
179.03377	3.0
181.04984	1.4
181.06403	0.3
183.02867	9.5
184.05095	0.2
185.05968	0.3
185.09688	0.3
187.03886	2.2
189.01811	0.6
189.05472	1.3
189.09160	0.5
190.99792	0.2
191.03381	1.4
193.04962	1.5
193.08592	0.4
195.02841	2.0
195.08049	0.5
197.00923	0.2
197.04420	0.4
197.06094	0.5
199.07474	0.3
201.05521	0.3
203.03358	4.2
205.05009	0.5
207.02869	1.6
209.04413	0.4
210.06656	0.2
211.07509	0.4
213.05450	0.2
213.09131	0.7
215.06998	0.9
219.06412	0.2
221.04433	2.7
221.06340	0.2
223.07539	0.4
226.06352	0.2
227.06976	0.3
229.04939	2.7
231.02834	1.9
231.10083	0.4
237.09264	0.2
239.06958	1.2
241.08577	0.6
242.05690	0.3
247.07809	0.3
249.03848	2.1
253.04854	0.4
253.08607	0.4
254.05701	0.3
255.06364	1.0
256.07233	0.9
259.09705	0.6
263.06985	0.3
265.08563	0.6
266.05728	0.3
267.06479	8.6
268.06927	0.5
269.04349	0.4
269.08008	0.5
270.05167	2.9
271.05969	7.3
273.03864	1.6
279.06454	3.8
280.06973	0.3
281.04797	0.5
281.08038	8.5
282.08368	0.5
283.05972	96.3
284.06625	11.7
285.07486	1.1
291.06573	0.3
293.04852	0.4
293.08017	5.8
294.05234	0.8
294.08463	0.3
295.05978	13.9
296.06403	0.7
297.03992	1.0
297.07507	15.9
298.07916	0.7
303.06433	0.6
305.07999	2.2
307.05969	4.5
308.06665	0.7
309.04025	1.5
309.07498	24.2
310.07724	0.9
311.05463	0.7
311.09070	4.8
312.09390	0.4
313.07013	54.7
314.07318	2.2
320.06631	0.9
321.07535	45.5
322.07843	2.1
323.05408	0.8
323.09030	0.4
324.06488	0.3
325.07037	8.6
326.07294	0.4
329.18457	0.3
330.17032	0.3
331.05820	0.3
337.07016	43.6
338.07376	1.8
339.04709	0.3
339.08594	3.9
343.08096	0.5
349.07022	39.6
350.07391	2.0
367.08072	100.0
368.08432	4.6
385.09119	18.8
385.13168	0.2
386.09332	0.7
403.10056	10.4
403.23328	6.6
404.10480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16410	1.4
53.03938	4.1
55.01878	7.3
55.05498	10.5
57.07072	72.8
63.35718	1.5
67.05505	19.8
69.03430	12.8
69.07063	16.3
69.09383	1.5
69.93481	4.3
69.93895	4.9
70.06579	1.9
71.04984	5.3
71.08624	49.8
73.02894	2.0
79.05457	2.7
81.03406	15.5
81.07047	31.4
83.08609	25.3
85.02908	4.9
85.10175	28.1
88.07631	2.2
93.07030	2.8
95.07978	1.6
95.08599	47.8
97.02886	74.9
97.10162	10.0
98.20833	1.8
99.04449	28.1
105.07017	2.6
107.08597	2.9
109.02878	16.2
109.10140	26.6
111.11720	3.6
119.91518	1.7
121.10192	2.3
123.08011	1.8
123.11671	12.6
125.13242	2.6
127.02953	2.4
127.03905	47.8
133.10159	2.0
135.11659	1.8
137.13219	4.8
140.21486	1.6
141.45302	1.6
142.58124	1.6
145.04942	6.4
145.10121	2.2
147.11725	2.4
151.14821	3.1
165.16388	2.1
191.10446	1.6
221.22656	3.6
239.23674	100.0
240.24020	3.5
257.24713	2.1
298.27335	1.6
330.10913	1.6
335.25616	2.8
339.34338	2.4
377.14890	2.4
383.27914	6.2
401.30344	3.5
401.38333	11.2
406.73300	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	401.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79506	2.9
51.22142	3.1
53.03931	3.9
55.05502	9.8
57.07067	3.7
67.05505	17.8
68.04561	4.2
69.07063	17.2
70.06139	17.5
71.04982	7.0
79.05488	17.9
80.06299	3.1
81.03402	5.0
81.07047	48.3
81.55025	3.3
83.08589	5.4
85.21185	3.4
91.05472	47.4
93.07033	48.2
95.04971	14.2
95.08601	36.4
98.21545	3.5
103.05453	3.3
104.85246	3.5
105.06303	5.1
105.07019	100.0
107.08586	42.5
109.06504	60.5
109.10143	18.6
111.08078	8.3
115.05446	8.0
117.06981	21.5
119.08570	85.1
121.10159	19.7
121.67085	4.0
123.08050	4.7
123.11664	5.5
128.06197	11.5
129.07013	22.3
130.07765	10.2
131.08556	61.8
133.10126	82.0
135.08040	15.2
135.11717	23.9
137.09619	6.7
141.07011	10.4
142.07805	27.9
143.08546	45.1
144.09357	10.4
145.10106	86.4
147.08058	7.9
147.11656	16.8
149.13136	3.4
155.08578	19.0
156.09357	15.7
157.10120	62.7
158.10902	12.5
159.11684	37.2
165.07025	11.0
167.08572	12.3
168.09346	9.2
169.10132	28.6
170.10828	8.4
171.11649	27.0
172.12372	5.5
173.13242	43.0
175.14818	15.1
179.08598	11.2
180.09262	4.4
181.10103	14.5
182.10895	9.2
183.11673	22.8
184.12407	4.2
184.97078	3.8
185.13271	19.0
187.14839	40.5
192.09250	3.9
193.10162	8.8
194.10866	8.1
195.11642	18.7
197.13274	15.9
199.14836	25.5
201.12688	5.4
201.16678	3.8
206.10883	8.0
207.11681	16.9
208.12601	4.5
209.13225	30.6
210.13765	3.9
211.14775	10.1
213.12625	5.6
213.16241	4.4
219.11674	4.7
220.12401	4.5
221.13248	21.8
223.14804	9.8
225.16422	4.4
227.14233	5.1
231.11783	4.2
233.13283	5.3
235.14755	8.3
237.16373	12.7
239.23752	3.8
249.16422	3.6
251.17847	3.9
253.19556	6.1
263.18100	4.1
265.19452	4.9
277.19470	4.6
343.24225	6.0
383.29068	4.0
401.13440	4.8
401.28116	27.7
401.34061	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05476	1.7
57.03416	1.2
58.35268	1.2
67.05495	3.0
67.30331	1.3
69.03412	2.8
71.04961	1.7
78.04684	2.4
79.05135	1.4
79.05492	15.0
81.03372	1.9
81.07032	5.9
84.08125	1.7
85.02898	1.5
85.06504	2.1
88.04415	1.2
91.05487	6.6
91.05940	1.2
93.07024	3.8
94.04253	1.1
95.04958	6.5
95.08587	4.8
97.02879	2.3
97.06519	2.1
98.09650	1.6
105.06995	2.3
106.02888	1.8
107.04948	30.4
107.08595	3.1
109.02871	1.4
109.06487	1.7
109.10149	3.6
115.05447	3.2
116.06227	1.8
116.23821	1.4
117.06981	3.5
119.08580	2.9
121.02894	1.5
121.06484	2.5
121.10156	2.1
122.03584	1.4
123.04414	4.6
123.11658	1.5
124.03896	1.6
124.05215	6.3
125.05985	4.3
125.09601	1.5
127.03931	2.0
128.06247	1.6
129.06973	5.7
131.08583	9.6
132.05658	1.5
133.02791	2.0
133.06483	2.9
133.10110	1.9
135.04387	2.3
137.05965	2.1
137.09589	1.5
141.06946	3.4
144.05701	7.0
145.06464	6.3
145.10114	2.1
147.04372	2.3
147.11736	2.6
149.05959	2.0
151.07539	1.6
152.04623	4.9
153.01854	1.9
153.05469	2.2
156.05679	12.5
157.06453	3.0
158.07292	2.0
159.08043	16.4
159.11700	1.5
161.06039	4.0
163.03896	4.6
167.07034	100.0
168.07347	1.4
169.06422	2.0
169.07632	1.7
173.05951	3.5
174.06734	2.0
175.07489	1.8
177.05489	1.5
179.03395	1.5
179.06996	3.2
179.08444	1.6
181.04959	4.3
181.06415	1.6
181.08572	3.0
184.05171	2.8
184.52246	1.3
186.06741	2.4
187.07567	9.9
189.05441	1.6
190.06183	4.3
190.07773	1.5
191.06999	2.9
191.08447	2.4
195.02911	3.2
195.06488	4.4
201.09164	1.8
202.06206	5.1
202.07806	1.7
203.08575	2.2
204.07787	2.9
205.06668	2.4
205.08595	16.5
207.06482	5.8
207.08218	1.9
207.10085	2.9
208.05176	9.7
209.08076	2.4
210.06740	4.1
211.02394	2.3
211.07538	1.9
215.06815	1.8
215.08652	2.6
217.08574	35.8
218.07269	5.4
219.08026	10.2
219.10188	4.4
220.08917	6.2
221.05943	3.3
221.09633	2.6
229.08638	7.0
230.07108	1.5
231.08151	7.4
231.10080	2.6
232.08868	2.0
233.09523	4.6
234.06734	2.7
234.10435	1.7
235.07472	2.9
235.11273	1.7
236.04701	2.7
236.08264	2.8
238.06137	2.2
239.06888	1.4
240.04118	1.7
241.08656	1.7
245.09537	3.6
246.06842	2.5
247.07451	8.8
247.09648	22.7
248.08250	10.9
249.05441	1.7
249.09103	3.8
250.06213	1.9
251.07085	2.2
251.10524	2.2
252.36873	1.4
254.05684	4.3
255.06419	6.2
259.07364	3.2
261.09091	5.1
262.06223	1.7
262.09821	3.9
263.07022	4.1
263.10611	8.6
264.07950	6.1
265.08600	5.8
266.05655	2.1
267.06516	5.1
268.03540	2.4
268.10724	1.8
269.08063	10.5
271.09708	8.9
272.06628	2.0
275.06921	4.9
276.07730	6.9
277.08566	2.9
278.09314	2.2
279.10074	8.4
281.08026	2.0
282.05539	1.9
282.08759	7.2
283.05942	2.9
283.09341	1.5
285.07645	2.8
290.09299	4.5
291.10095	12.1
292.07205	3.7
292.10605	1.8
293.08075	8.5
294.08813	3.1
295.05969	1.8
296.10397	2.9
297.07593	2.4
299.09122	7.2
301.06964	3.9
304.07230	3.2
305.08032	2.8
305.11737	1.8
307.06232	2.3
307.09558	11.1
308.06967	1.9
308.10297	6.0
309.03763	3.3
309.07465	4.6
310.08154	2.8
311.05521	8.4
311.08701	2.0
311.12732	2.9
313.07037	6.6
315.08578	36.5
316.09146	2.0
318.08774	2.5
319.09677	8.7
320.10425	1.7
321.07504	5.1
321.10989	2.2
323.09076	4.4
323.12759	13.3
324.09796	2.4
325.07101	5.5
325.10730	2.6
327.04990	2.0
327.08563	2.9
328.09094	3.1
329.06335	4.0
330.10934	42.2
330.14822	2.1
331.11783	14.4
335.09140	2.8
336.09869	5.1
337.10690	8.5
338.07684	1.4
339.08594	1.8
339.12265	8.3
340.13263	1.4
341.09869	2.6
343.11688	10.6
351.12225	25.5
352.12836	3.4
353.10281	6.3
355.11621	3.7
356.12469	2.2
357.13086	1.7
365.10022	2.0
368.12704	7.5
369.13162	2.5
371.14871	5.5
373.16364	2.2
383.10986	10.7
383.15088	62.1
384.11362	2.6
384.15573	1.8
401.12000	9.6
401.16620	23.3
401.28699	33.6
402.12695	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	401.1591
Annotation	Gomisin R
Peak:m/z	Relative Intensity
69.90807	7.4
69.91212	2.8
78.04684	2.5
79.05491	10.4
81.07052	2.0
91.05463	6.7
95.04935	2.0
96.44238	1.4
98.21415	1.7
103.05565	1.8
105.04421	1.4
105.07040	2.2
107.04937	23.9
108.77554	1.5
115.05489	3.4
116.06227	2.0
117.06996	3.9
118.11862	1.3
121.06532	1.4
123.04412	2.4
124.05180	6.7
129.06996	5.6
131.08527	9.2
135.04514	1.7
141.06956	3.1
144.05685	5.7
145.06482	3.8
147.04337	1.6
148.30103	1.5
152.04703	3.4
156.05688	12.7
157.06502	2.1
159.08002	10.2
161.05885	2.4
163.03851	2.5
165.06990	2.4
167.07036	82.9
173.05959	4.2
175.07637	1.8
179.07010	1.7
181.08659	2.4
184.05168	4.4
186.06703	3.2
187.07558	6.7
190.06281	2.5
193.08501	1.8
195.06436	2.9
202.06235	3.6
202.07832	1.8
203.08521	2.2
204.07773	3.0
205.08601	15.3
207.06497	5.1
207.08224	2.0
208.05167	22.2
208.08818	1.9
209.05888	1.8
211.07520	2.2
217.08582	36.7
218.07240	5.1
219.08049	11.7
219.10196	4.4
220.08823	2.3
221.06017	5.2
221.09706	2.3
229.08661	2.9
230.07236	2.9
231.08035	5.0
232.08836	2.9
233.06012	2.1
233.09688	4.2
234.06734	2.2
235.07481	2.3
236.04648	8.0
236.08261	4.3
238.06221	3.5
239.06972	2.5
240.04073	2.6
241.08714	1.8
245.09584	2.8
247.07437	9.6
247.09686	19.2
248.08235	9.6
249.05557	2.2
249.09024	2.9
251.10776	2.3
254.05724	9.4
257.04504	1.9
259.07489	2.6
260.08337	2.0
261.09100	6.6
262.06293	2.2
262.09775	3.3
263.07910	1.4
263.10666	10.1
264.04184	1.6
264.07788	7.8
265.08530	5.7
267.06473	5.4
268.03619	2.8
269.08041	27.3
271.06125	1.6
271.09598	6.8
272.06689	2.9
274.06204	1.6
275.07040	5.1
276.07690	8.6
277.08496	5.3
279.10135	7.1
282.05408	2.9
282.08832	13.2
285.07333	2.1
287.09265	2.5
290.09317	4.2
291.10068	14.6
292.07321	3.8
293.08047	6.0
295.09515	2.1
299.09201	2.4
300.06195	3.4
301.06958	3.4
304.07581	2.1
307.09592	10.8
308.10403	5.8
310.08344	6.4
315.08612	81.4
316.09003	2.3
319.09448	7.3
321.07581	3.3
322.08279	2.1
323.12701	12.9
325.10696	3.2
328.09402	6.4
330.10950	100.0
331.11691	15.4
336.09824	4.9
337.10721	6.0
338.11420	1.9
339.12097	8.3
343.11688	19.8
351.12198	24.7
352.12839	3.7
353.10281	5.3
356.12204	2.5
368.12686	8.1
369.13440	5.0
371.14868	5.7
383.14865	67.7
384.15283	3.1
401.15887	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	401.1593
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
55.01867	2.1
55.05494	1.9
55.34565	1.2
63.92046	1.1
67.05491	4.5
69.03422	4.9
69.07068	2.5
71.05019	1.5
71.62923	2.3
78.12149	1.2
79.05467	2.9
81.03410	1.9
81.07045	4.4
85.06501	1.2
87.16139	1.3
87.36870	1.4
89.01620	1.2
91.05482	3.2
93.07038	4.1
95.04957	7.5
95.08618	6.6
97.02885	1.5
105.07017	2.8
107.04967	2.5
107.08597	4.7
109.06519	2.3
109.10121	2.6
111.04414	1.8
119.08576	1.5
121.06489	5.1
121.10136	2.9
123.04424	100.0
131.08589	1.7
133.10129	2.2
135.11693	2.2
137.05905	1.9
143.08572	1.2
147.04428	1.4
149.05965	1.3
159.08072	1.4
159.11732	1.5
161.09625	1.3
166.26974	1.3
167.07042	6.9
177.05432	1.9
187.03914	2.0
191.03410	3.5
197.05914	1.5
199.07552	1.8
205.04947	33.7
205.08647	1.3
209.04417	7.7
211.07745	1.5
217.04948	4.6
217.08521	1.5
223.06012	23.2
227.07091	3.7
237.24919	1.1
245.04530	1.6
253.08534	3.6
256.05188	1.3
266.05789	1.8
281.08115	9.4
297.07452	1.5
299.09103	3.0
309.07553	46.8
315.08392	2.5
327.08594	73.4
328.08926	1.7
330.10968	2.7
341.06223	1.3
345.09662	59.3
351.12131	1.7
359.10141	1.7
365.13748	2.6
383.11081	1.5
383.14807	21.3
401.11359	2.1
401.15753	6.2
401.26447	1.7
401.34540	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	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01857	2.5
55.05502	3.8
57.03448	1.9
57.82821	1.5
67.05490	4.8
68.99772	1.8
69.03426	14.8
69.07047	5.2
70.06585	7.6
70.43059	5.9
71.04986	3.7
72.08137	7.7
73.02878	2.0
78.04696	2.0
78.21515	1.3
79.05482	18.1
81.03411	4.4
81.07047	11.0
83.04980	2.9
84.08138	3.5
85.02891	6.2
85.06540	3.4
86.09716	2.6
89.06020	4.9
91.05489	10.3
93.07017	5.7
94.04184	1.5
95.04948	9.1
95.08583	8.0
97.02882	9.2
97.06535	2.6
98.03246	3.1
99.04494	1.8
101.06013	2.0
103.05470	3.1
105.07033	8.9
107.04948	31.6
107.08578	6.3
109.02850	3.9
109.06514	3.2
109.10158	2.8
111.04420	3.6
111.08043	2.1
114.84541	1.3
115.05441	4.4
116.06229	1.7
117.06987	4.1
119.04939	4.7
119.08574	6.2
121.02798	1.8
121.06491	3.0
121.10137	2.8
123.04412	7.0
123.08035	2.9
124.05217	4.5
125.05989	4.3
127.03924	3.8
128.06247	2.6
129.05484	2.0
129.06979	5.4
131.04842	2.5
131.08566	8.3
132.05629	2.8
133.06491	3.4
133.08571	2.7
133.10123	4.0
134.03564	1.7
135.04407	6.6
135.11716	3.0
137.05946	4.7
137.09601	2.3
141.06985	4.0
141.19472	1.5
143.45644	1.5
144.05684	7.3
145.06479	5.0
145.10129	2.6
145.90865	1.5
146.05878	1.7
147.04391	14.0
147.08051	1.6
147.11646	2.2
149.05974	2.7
151.03903	1.5
151.07500	4.8
152.04697	2.6
152.07074	1.9
153.01787	5.4
153.05440	4.1
153.06924	1.5
156.05685	9.3
157.06503	3.3
158.07216	1.8
159.08044	14.2
161.05952	6.0
163.03860	9.3
165.01851	6.2
165.05469	2.3
167.07021	100.0
168.07341	2.7
169.06445	2.9
172.05138	2.6
173.05978	5.6
174.06769	2.1
175.07408	3.9
177.01840	2.1
177.05473	4.7
179.03445	2.6
179.06960	1.7
181.04912	9.0
181.08565	5.3
182.07304	2.2
183.02913	7.5
183.04318	1.6
184.05191	4.2
186.06750	2.5
187.07538	11.7
189.09146	1.8
190.06224	2.0
191.03412	10.0
191.07037	5.7
191.08554	3.2
192.07727	1.9
193.04951	1.8
193.08514	4.0
195.02846	4.7
195.06519	4.4
199.07510	1.9
201.05571	2.0
201.09160	2.3
202.06252	5.0
202.07899	2.9
203.03358	5.3
203.08621	4.2
204.07704	1.7
205.06633	2.4
205.08496	15.3
205.09967	1.7
207.02867	2.6
207.06390	9.3
207.08176	1.9
208.05174	16.6
208.08751	3.7
210.06798	3.1
211.07530	2.5
215.07036	4.4
215.08754	3.4
217.04990	5.1
217.08560	29.4
218.07184	3.8
219.02934	12.3
219.08040	15.5
219.10188	5.9
220.08830	3.3
221.04222	1.9
221.06041	5.5
221.07964	3.7
223.07491	2.3
227.07051	2.2
229.08571	4.9
230.07349	2.1
231.08002	8.2
231.10201	4.4
232.08817	1.9
233.06082	2.8
233.09613	6.0
234.06721	3.9
235.07472	3.1
236.04648	7.0
236.08289	4.7
237.09099	2.6
238.06285	2.5
239.07111	2.1
239.16481	2.5
240.04144	3.1
241.08487	2.2
245.04454	9.1
247.07465	15.0
247.09680	19.6
248.08253	14.8
249.05486	3.3
249.09045	4.6
251.10730	2.6
253.08592	3.0
254.05737	8.2
255.06508	2.5
256.07291	2.1
258.06757	1.8
259.07642	2.4
260.08167	2.1
261.09048	4.2
262.09869	4.7
263.05298	12.1
263.10583	9.3
264.07745	8.2
265.08594	6.4
266.05630	2.7
267.06546	5.1
268.03632	2.2
269.08069	20.1
271.09641	8.0
272.06653	2.4
275.06949	9.6
276.07712	8.0
277.08572	6.6
278.05597	2.4
279.06790	2.6
279.10092	9.8
281.08148	2.0
281.11682	2.2
282.05466	3.4
282.08838	11.4
285.07629	5.0
287.09174	3.7
289.08545	3.3
290.09250	6.7
291.10077	14.0
292.07208	5.8
293.08090	11.7
295.09540	2.2
296.10464	2.0
297.07642	3.7
299.09067	5.6
300.06387	3.1
300.09854	1.8
301.07108	6.0
304.07242	2.0
305.08054	3.6
306.08835	2.5
307.05927	6.1
307.09631	13.4
308.10428	5.8
309.07431	2.5
310.08377	7.4
311.12766	2.6
313.07040	4.9
313.10541	2.5
315.08563	62.1
316.08887	4.4
318.09009	3.0
319.09637	8.4
320.10529	2.4
321.07507	6.5
321.11026	2.0
322.08252	2.7
322.12006	2.1
323.08923	3.8
323.12793	14.9
325.10544	2.2
327.04990	7.1
327.08575	2.7
328.09445	2.7
329.06512	30.6
330.10941	77.0
331.11710	15.3
336.09821	4.8
337.10669	10.8
338.11307	2.0
339.08505	9.6
339.12338	12.3
341.10132	2.5
341.13739	2.3
343.11722	14.2
351.12241	30.4
352.12833	5.4
353.10245	8.7
355.11649	2.4
356.12494	3.2
365.10132	6.9
368.12494	9.5
369.13382	7.4
371.14847	8.3
383.14954	80.4
384.15106	2.7
401.12030	10.2
401.16602	28.9
401.21036	2.0
401.28641	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	401.1228
Annotation	Piscerisoflavone B
Peak:m/z	Relative Intensity
55.01845	0.4
55.05494	1.1
57.07065	0.4
59.04997	19.5
65.03941	0.4
65.36039	0.3
66.52983	0.4
67.05489	1.6
67.14989	0.4
69.03414	1.6
69.07053	1.9
70.06591	0.6
70.63248	0.4
71.04996	0.7
79.05474	2.5
81.03410	1.0
81.07043	3.6
83.04974	0.9
83.08599	0.7
85.02892	0.5
85.06532	1.2
91.05484	2.3
93.07035	2.3
95.04942	1.0
95.08598	3.3
97.02883	0.7
97.06528	2.7
97.76717	0.4
99.04437	0.5
105.07042	2.7
107.04946	2.9
107.08609	2.0
109.02863	0.7
109.06516	1.0
109.10126	1.4
111.08069	0.7
115.05462	0.7
119.04955	0.5
119.08553	1.6
121.02861	0.5
121.06469	0.8
121.10152	1.3
123.04424	1.8
123.08093	0.6
123.11727	1.1
124.05176	0.7
125.06001	0.9
125.09588	0.6
127.03960	0.9
129.05438	0.4
129.07014	0.9
131.08562	1.5
133.10126	1.4
134.03633	0.7
135.04414	0.8
135.08054	0.5
135.11682	0.7
137.05946	0.6
137.13263	0.6
138.03108	0.6
139.03923	0.6
139.11002	0.4
141.06915	0.6
143.08568	0.6
144.05696	0.6
145.06424	0.8
145.10094	1.2
147.04425	0.6
147.11711	0.8
148.01556	0.7
149.02287	0.4
149.05998	1.1
149.13277	0.6
151.03894	0.7
151.07513	1.1
151.82355	0.4
152.04681	0.5
153.01804	1.2
153.05457	2.0
153.06894	0.6
155.08592	0.6
156.05681	1.5
157.10034	0.4
159.08031	1.7
159.11688	1.5
161.02330	0.6
161.05972	1.0
161.13229	0.6
163.03888	0.7
165.06903	0.4
167.07031	12.1
167.08415	0.8
171.11678	0.5
172.08656	0.4
173.02362	1.2
173.05960	0.7
175.07454	0.6
176.01010	4.3
177.01810	1.8
177.05525	0.5
179.03419	0.8
179.07045	0.7
179.10617	0.4
181.04906	1.2
181.06500	1.4
181.08673	1.0
185.13303	0.6
186.06750	0.5
187.07556	1.4
187.14801	0.5
190.06071	0.6
191.03346	0.6
191.07031	0.6
191.08606	0.6
191.10585	0.6
194.02107	8.6
195.06412	0.6
201.09244	0.6
203.06953	0.5
205.08452	2.0
207.06519	1.0
208.05164	1.8
208.08943	0.6
209.05952	1.6
209.07889	0.4
214.12825	0.4
217.08524	3.8
218.07153	0.5
219.08069	1.3
219.10138	0.8
220.08894	0.5
221.06030	0.9
221.08020	0.5
225.05493	0.5
226.06219	1.0
229.17854	0.5
231.08119	0.8
235.09645	1.1
236.04762	1.0
237.05475	2.6
247.07489	1.4
247.09674	1.7
248.08334	1.7
253.04984	1.8
254.05743	2.7
255.06543	0.5
261.09015	0.6
263.10526	0.9
264.07602	0.6
265.04922	9.7
267.06577	0.7
269.08032	4.5
271.06235	0.5
271.09601	0.8
275.07037	0.8
276.07770	0.8
277.08597	0.9
279.10141	0.9
282.05222	3.1
282.08835	1.5
283.05688	0.7
287.09143	0.5
291.10074	0.8
292.03598	1.4
292.07147	0.7
293.04462	10.3
293.07785	0.7
294.08914	0.5
297.07516	4.6
299.09174	0.8
307.09482	1.1
308.10419	0.9
309.07440	0.6
310.04724	8.3
310.08112	0.7
311.05139	0.6
311.09122	0.6
311.12805	0.5
313.06976	0.5
315.08618	8.1
319.09561	0.9
321.07565	1.1
323.09378	0.6
323.12851	1.3
325.07037	100.0
326.07352	6.0
329.06476	1.4
330.10999	9.1
331.11621	2.2
337.10632	1.4
339.08612	0.8
339.12424	1.1
341.10165	0.7
343.11667	1.5
351.12320	3.2
353.10300	0.8
355.11612	0.7
356.12308	0.5
365.10150	1.8
368.12494	1.3
371.14731	0.7
383.10968	1.7
383.15109	7.5
401.11572	4.1
401.16135	2.2
401.26617	0.6
401.31226	0.8
402.15720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.123
Annotation	Torosaflavone A
Peak:m/z	Relative Intensity
53.03951	1.5
55.01884	1.8
55.05496	7.3
57.03419	1.3
57.23360	1.2
59.05005	1.7
67.05495	11.0
67.44527	1.3
68.99818	1.7
69.03436	6.6
69.07063	9.4
69.40672	2.1
69.41076	10.8
70.06602	1.4
71.04997	2.3
79.05485	10.3
81.03407	2.1
81.07050	19.6
83.04944	2.4
83.08604	4.7
84.08143	3.1
85.02897	2.4
85.06523	2.4
87.43578	1.2
90.02904	1.3
91.05492	7.9
93.03371	1.9
93.07032	11.3
95.04953	5.4
95.08607	15.1
97.02909	8.2
97.06541	5.7
97.10142	2.1
103.05476	2.0
105.07032	8.3
107.04950	12.6
107.08595	8.9
109.02868	3.0
109.06501	3.3
109.10148	8.9
111.04457	2.3
115.05487	2.8
117.07020	2.1
119.04929	5.0
119.08576	5.4
121.02850	10.8
121.06499	1.5
121.10155	7.0
123.04424	5.5
123.08037	2.0
123.11710	3.8
124.05173	2.6
125.05978	3.7
125.09658	1.4
127.03897	2.2
128.06209	1.8
129.07002	3.2
131.04924	2.1
131.08560	6.0
133.06476	2.4
133.10126	4.6
135.04428	3.1
135.08002	2.5
135.11678	4.7
137.02283	2.4
137.05972	3.7
137.09529	1.6
137.13258	2.4
141.06960	2.0
143.04832	1.3
144.05716	2.2
145.02843	9.7
145.06477	2.4
145.10121	5.0
147.04414	5.4
147.11659	3.2
149.09593	1.5
149.13255	3.3
151.03905	3.7
151.11151	1.8
153.01881	2.3
153.05476	2.1
156.05635	2.7
157.10196	1.7
159.04556	1.5
159.08047	7.1
159.11668	2.9
161.05983	2.9
161.13275	2.3
163.03865	7.6
163.14799	1.9
165.01874	13.2
165.05464	1.7
165.09091	1.4
165.12784	1.7
167.07028	35.2
167.08400	2.1
173.06012	2.2
173.13260	1.7
175.03905	3.2
175.14909	1.8
177.05472	2.9
179.03360	8.5
181.04918	4.7
181.08618	2.6
183.02872	10.9
183.11873	1.4
187.07549	3.7
191.03439	3.1
193.05025	3.1
193.08606	2.0
195.06496	1.9
195.08072	1.6
205.08571	8.7
207.06425	1.7
208.05232	5.7
209.08032	1.7
213.05429	1.8
217.08580	10.3
218.07317	2.1
219.02899	2.9
219.08128	4.5
219.10164	2.0
220.08629	1.6
221.15324	1.8
229.04977	3.6
232.08565	1.4
233.05827	1.6
236.04550	1.8
237.09111	1.9
245.15401	1.9
247.07530	4.6
247.09724	5.0
248.08363	4.6
251.06987	2.0
251.10629	1.8
254.05736	3.2
254.11609	1.7
255.06471	2.5
257.04343	1.8
259.07571	1.7
261.09195	2.3
263.07166	1.4
263.10693	3.0
264.07932	3.5
265.08716	2.1
267.06522	4.5
268.03571	1.9
269.05356	1.9
269.08032	8.7
270.05289	2.6
271.05966	8.1
271.09644	4.1
272.06619	2.3
275.06863	2.9
276.07935	2.7
277.08682	1.5
279.06674	2.6
279.10193	3.2
281.08115	4.3
282.08856	3.6
283.05997	100.0
284.06482	4.3
290.09207	1.9
291.10107	5.2
292.07483	1.8
293.08154	10.4
295.05994	19.6
295.09326	2.6
296.06549	1.6
297.07553	59.3
298.07968	2.4
299.08917	2.1
303.06573	6.1
305.08023	2.2
307.05978	6.9
307.09656	4.9
308.06793	5.1
308.10178	1.9
309.07550	24.6
310.08270	4.7
311.09076	31.4
313.06970	2.1
315.08582	24.3
316.09064	1.9
319.09637	5.3
320.10321	1.7
321.07553	48.0
322.08057	2.4
323.09085	16.8
323.12744	3.6
325.07071	5.0
327.08658	18.2
327.25009	1.6
330.10941	30.6
331.11673	4.3
336.09921	1.5
337.10623	13.6
339.08618	44.0
339.12125	2.9
340.08984	1.9
341.10162	2.2
343.11813	3.9
347.09192	5.4
351.12173	10.8
353.10135	3.0
365.10117	44.0
366.10556	2.5
368.12524	3.5
371.14749	2.7
383.11194	88.9
383.15027	18.9
384.11484	4.0
401.11838	89.0
401.21347	3.4
401.26474	2.3
401.30585	2.1
402.12537	3.8
414.98239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1228
Annotation	Torosaflavone A
Peak:m/z	Relative Intensity
52.52093	1.0
53.03938	1.6
53.97219	1.1
55.01864	2.2
55.05494	5.3
55.41087	1.0
56.96562	0.9
57.03413	2.4
57.07069	1.3
59.04996	1.4
65.03928	1.5
67.05489	7.8
68.99789	1.4
69.03413	8.6
69.07065	6.1
70.43465	3.4
70.43831	1.7
71.04983	2.6
79.05495	10.3
81.03394	3.2
81.07043	12.1
83.04953	2.9
83.08600	2.8
84.08153	1.3
85.02884	2.2
85.06528	6.9
91.05460	9.0
93.03348	1.3
93.07039	8.4
95.04958	7.0
95.08586	12.1
97.02862	3.1
97.06502	7.0
97.10132	2.2
101.05968	1.7
103.05448	1.3
105.07019	7.0
107.04926	11.5
107.08588	7.0
109.02859	1.8
109.06512	2.4
109.10148	6.1
111.04416	3.4
111.08063	1.6
113.05990	1.3
115.05457	1.3
117.07003	3.8
119.04916	5.0
119.08558	4.7
121.02855	8.9
121.06470	2.2
121.10129	4.2
123.04401	4.8
123.08035	3.2
123.11700	3.2
124.05228	2.4
125.05988	2.8
125.09595	1.7
125.33968	1.0
127.03902	2.5
128.06244	1.5
129.05464	3.4
129.06995	3.1
131.04898	3.3
131.08531	4.4
132.05663	1.4
133.06493	1.7
133.10104	3.4
135.04402	2.1
135.11644	4.2
137.02303	3.6
137.05989	2.0
137.13213	1.6
139.03893	2.0
141.01808	2.3
142.10078	0.9
143.08557	1.8
144.05617	1.6
145.02829	9.6
145.06453	2.8
145.10071	3.2
147.04382	3.4
147.11630	2.5
149.02344	1.5
149.06030	1.6
149.09624	1.3
149.13216	2.8
151.03883	2.2
151.11096	1.6
153.01791	3.3
153.05502	5.9
155.08493	1.5
156.05702	3.0
157.06398	1.0
157.10161	1.5
159.04398	1.6
159.08002	5.5
159.11696	1.4
161.02393	1.1
161.05971	2.1
161.09540	1.2
161.13213	1.8
163.03961	4.8
163.07523	1.3
163.11156	1.5
163.14804	1.9
165.01830	11.5
165.05484	2.4
165.09158	1.5
167.07039	32.4
173.05978	1.7
173.13258	1.5
175.03867	2.9
175.14809	1.7
177.05438	2.0
179.03348	10.5
179.07022	1.1
181.04947	3.4
181.08569	1.9
183.02873	10.2
185.13237	1.1
187.03923	1.6
187.07520	3.6
187.14781	1.5
189.01782	1.3
189.06961	1.3
189.12788	1.3
190.06215	1.3
190.07811	1.1
191.03387	2.7
193.04941	2.2
195.06516	1.4
197.04355	1.1
199.07613	1.4
201.05379	1.8
201.09052	1.4
202.06160	1.7
203.03314	2.1
203.08675	1.6
205.06717	1.2
205.08575	6.0
207.02966	1.9
207.06435	1.1
207.08185	1.2
208.05139	5.8
209.04411	1.9
209.08009	1.7
211.07584	1.4
215.06981	1.2
217.08545	9.6
219.08015	4.0
219.09967	1.6
220.08783	1.5
221.04253	1.5
221.06136	1.3
221.08009	1.1
229.04868	4.6
229.08524	1.6
231.07953	3.2
231.10094	2.2
234.06898	1.1
235.09613	3.2
236.04640	2.3
236.08170	1.4
237.02859	1.3
237.09213	1.5
239.06905	1.5
241.08614	1.3
247.07411	3.0
247.09593	6.2
248.08324	4.2
249.05458	1.2
251.07050	1.4
251.10490	1.2
253.04857	1.4
254.05785	3.7
255.06467	2.8
263.07327	1.2
263.10684	4.3
264.07825	2.4
265.08551	3.1
267.06555	3.9
269.05368	1.4
269.08017	8.3
270.05264	1.6
271.06021	24.1
271.09528	2.9
272.06549	2.0
273.18365	1.6
276.07925	2.2
277.08459	2.0
279.06448	3.5
279.10117	3.1
280.07568	1.2
281.08029	4.3
282.08749	2.8
283.05975	100.0
284.06226	4.7
290.09384	2.4
291.10095	5.5
292.07602	1.3
293.08029	11.3
294.08600	2.0
295.05960	6.6
295.09286	2.5
297.04404	1.7
297.07526	49.6
298.07880	2.5
299.09033	1.9
300.06131	1.3
301.06973	1.4
303.06586	5.0
304.07101	1.1
305.07877	1.7
307.05951	6.8
307.09497	3.6
308.06793	2.3
308.10266	2.7
309.07562	26.8
309.11057	2.5
310.08014	3.4
311.05725	1.8
311.09106	15.9
311.12512	1.6
313.06934	2.4
315.08548	19.8
316.09344	1.3
319.09564	4.8
321.07565	57.1
322.08002	4.5
323.09055	21.5
323.12747	4.5
324.09448	1.8
325.07126	5.8
326.07700	1.7
327.08603	20.3
328.09244	1.7
330.10916	23.3
331.11719	4.0
335.09137	1.1
337.10669	9.1
339.08591	36.1
339.12115	2.0
340.09122	1.9
341.10095	2.4
341.13907	1.4
343.11707	4.4
347.09042	6.9
350.07697	1.5
351.12277	7.3
353.10263	2.5
356.12424	1.6
365.10141	45.7
365.26859	1.5
366.10431	2.6
368.12939	2.1
378.11832	1.9
383.11115	85.5
383.14948	14.5
383.29190	1.7
384.11526	5.5
401.11877	28.7
401.22562	2.0
401.30823	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	401.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30934	1.2
55.01867	2.8
57.03438	1.6
64.20305	1.3
65.03932	2.0
65.35088	1.1
67.05467	1.0
68.99792	4.1
69.03426	72.9
69.78964	3.2
69.79374	4.3
79.05479	4.4
81.03397	2.4
81.07069	2.3
85.02888	2.2
86.38291	1.2
91.05486	5.6
92.99720	1.4
93.03358	1.6
95.04946	7.0
97.06504	1.4
99.04452	1.9
100.03045	1.2
103.05433	2.0
105.07009	2.7
107.04935	17.8
109.02846	6.0
109.06525	1.2
111.04447	7.1
119.04931	9.7
121.02862	4.4
121.06496	3.7
123.04391	6.7
125.06001	4.5
127.03915	2.2
135.04413	39.0
137.02357	2.3
141.01781	2.9
147.04398	35.8
149.02292	1.7
149.05933	2.8
151.03879	2.6
153.01822	17.1
153.05435	2.7
156.27682	1.3
160.09407	1.2
161.05994	2.6
163.03914	16.1
165.01831	49.3
165.05574	1.4
167.03375	1.2
167.07019	6.6
171.04378	2.0
175.03870	4.6
177.01837	17.5
177.05487	3.5
179.03362	7.8
181.04974	1.6
183.02896	31.3
189.01801	1.4
189.05482	3.4
191.03378	54.9
192.03693	2.5
193.01366	1.4
193.04956	3.2
195.02875	20.5
199.04041	1.5
201.05646	1.6
203.01492	1.4
203.03368	27.0
203.05161	2.0
207.02884	9.5
207.06403	1.8
209.04488	2.8
217.04962	16.7
219.02873	100.0
220.03268	4.2
221.04448	10.5
221.07961	1.3
235.05945	2.5
237.03914	4.1
245.04440	76.1
246.04807	3.1
248.08577	1.6
263.05499	90.8
264.05838	4.1
269.08072	1.6
273.07599	4.4
281.06516	17.0
285.07495	22.2
296.40381	1.4
297.07532	16.3
309.07654	1.5
315.08591	4.5
323.09235	7.2
323.12646	1.9
327.08752	2.9
330.10870	4.5
331.11667	1.7
339.08621	60.3
340.08975	4.3
341.10358	1.6
351.12274	1.4
353.09851	1.6
365.10156	30.1
366.10660	2.0
368.12314	1.4
383.11108	37.6
384.11536	3.3
397.60681	1.2
401.12079	14.2
401.28754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07935	7.9
54.74705	7.2
55.01861	18.4
55.05504	23.5
56.96573	17.7
60.15247	7.1
60.84942	7.2
64.79491	6.8
65.10873	8.0
67.05501	59.7
68.95045	8.7
69.03403	11.9
69.07056	21.3
71.04968	7.0
71.62222	16.1
72.08138	10.9
79.05488	24.6
81.07047	63.7
83.04993	18.4
85.06524	12.2
91.05493	44.8
93.07040	34.8
95.04952	13.9
95.08601	21.5
97.02866	13.5
97.06551	8.4
105.07025	49.9
107.04924	11.2
107.08585	40.1
109.06526	8.1
109.10135	66.1
119.08598	12.3
121.10141	11.9
131.08545	13.4
133.10124	64.9
143.08577	9.8
146.71590	8.7
149.09619	10.6
151.11218	30.3
161.09596	13.0
253.14325	100.0
271.15347	30.6
273.18353	18.1
291.19485	16.7
313.06815	10.0
315.08612	9.1
327.08868	9.9
328.09021	25.3
330.11273	10.5
365.23468	39.6
367.11621	8.7
382.13589	21.3
400.14740	24.1
400.27121	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	400.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07935	7.9
54.74705	7.2
55.01861	18.4
55.05504	23.5
56.96573	17.7
60.15247	7.1
60.84942	7.2
64.79491	6.8
65.10873	8.0
67.05501	59.7
68.95045	8.7
69.03403	11.9
69.07056	21.3
71.04968	7.0
71.62222	16.1
72.08138	10.9
79.05488	24.6
81.07047	63.7
83.04993	18.4
85.06524	12.2
91.05493	44.8
93.07040	34.8
95.04952	13.9
95.08601	21.5
97.02866	13.5
97.06551	8.4
105.07025	49.9
107.04924	11.2
107.08585	40.1
109.06526	8.1
109.10135	66.1
119.08598	12.3
121.10141	11.9
131.08545	13.4
133.10124	64.9
143.08577	9.8
146.71590	8.7
149.09619	10.6
151.11218	30.3
161.09596	13.0
253.14325	100.0
271.15347	30.6
273.18353	18.1
291.19485	16.7
313.06815	10.0
315.08612	9.1
327.08868	9.9
328.09021	25.3
330.11273	10.5
365.23468	39.6
367.11621	8.7
382.13589	21.3
400.14740	24.1
400.27121	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.77960	1.2
55.01859	2.2
55.05504	14.3
56.96547	1.4
57.07078	6.2
59.04984	1.7
67.05499	19.0
68.05835	1.3
68.90460	1.1
69.03445	1.2
69.06722	1.5
69.07060	16.3
71.04977	1.3
71.08623	2.1
71.14721	2.2
72.08149	1.4
79.05482	11.1
81.07052	52.1
83.04981	6.3
83.08603	8.1
85.02908	1.3
85.06522	4.7
91.05468	10.1
93.07037	36.8
95.04941	2.5
95.08598	100.0
96.08953	1.3
97.06523	2.4
97.10154	4.1
99.04441	4.7
101.05999	7.6
101.20951	1.2
105.07027	18.9
107.04934	1.7
107.08587	51.8
108.08899	2.3
109.06514	2.6
109.10149	32.6
111.08011	1.3
111.11685	2.6
117.06979	2.9
119.04951	1.2
119.08579	21.9
121.02864	4.4
121.06484	1.6
121.10136	37.4
123.04468	1.8
123.08041	2.8
123.11691	12.0
131.08560	4.9
133.10118	21.9
135.08084	5.9
135.11681	51.6
137.13255	5.3
139.07503	1.9
142.16040	1.3
143.08609	1.2
145.10089	5.7
147.04381	2.5
147.06528	1.2
147.11681	21.4
149.02325	1.4
149.09622	3.6
149.13246	40.0
150.13579	1.8
151.11174	2.1
153.09081	7.1
157.10101	1.6
159.11642	7.9
161.13248	9.5
163.11128	2.8
163.14774	7.1
167.03444	1.9
167.07071	2.0
167.10649	2.1
173.13226	10.2
175.11101	1.9
175.14809	4.7
177.12756	10.7
177.16451	3.2
179.10619	1.2
179.76642	1.3
181.12209	4.1
185.13197	1.5
187.14838	2.6
189.16344	9.1
191.03436	1.8
191.14304	13.0
191.17928	95.0
192.18259	2.5
195.13821	18.1
201.16470	3.0
203.17934	17.6
205.19539	6.9
207.13750	9.2
209.04460	2.0
209.15353	42.9
209.89349	1.2
215.18082	1.3
217.04988	1.5
217.19536	10.5
221.15353	1.9
231.21051	2.8
235.06013	1.6
235.16823	2.9
249.18539	1.9
257.22781	2.9
281.08099	1.9
293.07990	2.7
297.07599	4.6
307.05969	3.0
309.07550	54.4
310.04855	1.5
310.07877	6.5
311.08905	1.9
313.03381	1.3
315.08505	2.4
317.25104	1.4
321.07404	7.5
325.07117	2.1
327.08578	5.1
328.05713	7.9
335.08865	2.6
337.10776	6.1
339.08548	11.3
343.08102	19.2
344.08652	3.3
345.11343	2.4
348.09836	2.1
350.97232	1.2
353.13773	2.9
357.27719	1.3
363.12268	10.1
381.13336	41.9
382.13620	9.0
399.14401	45.1
399.24866	2.3
399.32559	56.3
400.14850	7.6
400.32895	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	399.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01865	2.5
55.05506	15.1
57.07064	5.5
67.05497	22.9
69.03404	1.7
69.07064	18.4
69.13981	1.4
71.04985	1.5
71.08622	3.5
71.61592	2.3
71.61965	2.0
72.08130	1.8
79.05484	12.5
79.37056	1.5
81.03416	1.7
81.07050	52.1
82.07338	1.7
83.04971	6.5
83.08614	8.5
85.06528	5.1
85.10167	1.7
91.05476	13.9
93.07036	37.2
95.04948	4.8
95.08597	100.0
96.08937	2.0
97.02872	2.2
97.06507	4.9
97.10164	4.3
99.04421	5.0
101.06010	8.2
105.07014	20.7
107.08582	50.8
109.02827	1.4
109.06482	4.8
109.10149	33.1
111.04455	1.6
111.11712	1.9
115.05450	1.8
115.07518	1.6
117.06985	2.1
119.08574	19.9
121.06467	3.7
121.10136	40.8
123.04417	19.9
123.08044	2.5
123.11699	11.5
127.03909	1.5
127.07542	2.4
129.06970	1.5
131.08574	7.8
133.10115	18.2
135.08047	9.9
135.11678	57.7
136.12019	1.5
137.05946	2.1
137.13231	5.9
139.07491	1.6
143.08577	2.0
145.06422	3.2
145.10135	6.4
147.04471	1.7
147.06514	3.4
147.08073	2.2
147.11671	19.0
149.06021	1.7
149.09561	4.3
149.13235	33.3
151.07542	3.5
153.05490	1.8
153.09091	5.3
157.10143	2.3
159.11713	9.0
161.05981	2.3
161.09627	2.7
161.13206	8.6
163.07574	2.5
163.11119	2.7
163.14838	6.9
167.10597	2.0
171.11728	2.0
173.09708	1.4
173.13210	10.0
174.06754	1.7
175.07549	9.5
175.10864	1.6
175.14848	6.9
177.05411	3.2
177.12712	9.1
177.16371	3.2
181.12180	4.1
187.14801	2.7
189.05510	1.8
189.16307	9.0
191.14328	15.4
191.17932	95.1
192.18332	4.2
193.12257	2.3
195.13782	16.5
197.13193	1.6
201.16292	2.8
203.07034	9.0
203.17912	16.0
205.19421	7.5
207.12030	1.7
207.13695	7.3
209.00790	1.8
209.15338	41.6
210.15749	2.7
217.19449	11.2
229.16005	1.5
231.06505	6.1
231.21046	2.3
243.21097	1.7
245.08089	20.3
249.07545	1.8
257.08078	1.9
261.18439	2.4
283.09933	1.6
286.04404	1.6
302.24698	12.2
309.07513	6.9
310.07816	1.7
325.03397	3.0
325.07013	5.9
327.05017	2.3
328.05713	2.5
339.08560	2.3
343.07922	7.5
363.12277	3.2
367.11761	41.9
368.12024	4.3
381.13342	12.3
381.17264	2.2
382.13583	1.7
399.14786	11.9
399.24640	2.7
399.32571	45.1
400.32767	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	399.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01864	3.6
55.05503	18.0
57.07059	6.9
65.03944	1.6
67.05501	21.6
69.03420	4.7
69.07062	26.3
69.07414	2.9
69.47661	13.9
71.04977	3.3
71.08630	4.8
79.05483	16.6
81.03425	2.1
81.07050	54.5
83.04979	7.3
83.08613	6.9
85.02884	2.6
85.06525	6.1
86.89738	1.7
91.05470	15.4
93.00851	1.7
93.07036	47.6
95.04965	5.4
95.08598	100.0
96.08929	1.9
96.57557	1.6
97.02877	2.0
97.06533	4.9
97.10167	5.1
98.21558	3.5
98.97607	2.3
99.04449	4.8
99.08115	2.0
101.06008	9.0
103.05418	2.0
105.07019	25.8
107.04971	2.0
107.08581	52.8
109.06516	4.1
109.10144	37.4
111.08106	2.2
117.06956	2.3
119.08559	28.7
121.06517	2.7
121.10136	45.9
123.04419	8.7
123.08066	2.8
123.11684	13.8
127.03913	2.5
129.05518	1.9
131.08557	8.0
133.10127	23.0
134.99660	2.1
135.04504	1.8
135.08063	8.4
135.11684	52.8
137.05969	4.7
137.09592	2.1
137.13231	5.9
139.07533	2.4
143.08549	3.6
145.10101	7.0
147.04399	4.2
147.06577	4.0
147.11681	24.7
149.09607	5.5
149.13234	31.5
151.07513	2.5
151.11255	2.6
153.09125	5.3
157.10123	4.6
159.11679	11.1
161.13243	10.1
163.03941	2.9
163.07503	2.2
163.14806	8.4
165.05487	3.3
165.12799	2.0
167.03362	2.3
167.07101	2.3
171.11647	3.8
173.13248	8.3
175.11186	2.2
175.14819	4.9
177.12808	9.4
177.16335	2.4
181.04922	1.6
181.12195	3.7
183.02937	1.9
187.14819	2.4
189.16389	7.1
191.03391	1.8
191.14349	10.1
191.17938	82.1
192.18353	2.2
193.12186	3.8
195.13741	12.7
201.16275	3.1
203.17969	12.3
205.08777	2.4
205.19518	6.0
207.13786	7.4
209.15324	33.1
217.19385	10.5
221.15247	2.9
239.06902	1.5
257.22641	3.0
261.18500	2.8
263.20242	2.0
279.08539	2.0
294.12720	1.7
309.07791	2.6
325.07019	15.2
325.10638	2.5
327.08682	3.9
328.05670	2.2
329.24576	2.5
339.08456	4.1
343.08148	16.6
357.09857	2.3
363.12289	3.0
381.13260	8.2
381.31458	3.3
399.14642	18.1
399.32700	49.8
400.32779	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	399.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.7
55.05508	15.7
57.07065	8.2
59.13916	3.6
67.05505	16.6
67.62526	2.9
69.07067	21.8
70.61520	2.9
71.08632	5.7
71.64808	3.7
71.65161	3.0
79.05486	12.7
81.07050	49.8
82.64764	3.1
83.04956	6.8
83.08611	9.4
85.06516	4.2
85.10186	3.3
91.05494	8.2
93.07047	39.7
95.04977	4.8
95.08602	100.0
97.10163	6.8
99.04422	4.6
101.06023	10.0
105.07025	24.5
107.08595	62.5
109.10143	42.1
111.04424	3.9
111.11745	5.4
117.07023	3.8
119.08591	28.7
121.10149	45.1
123.11697	17.5
128.23228	2.7
129.05557	2.8
131.08580	8.1
133.10101	24.7
135.08012	5.8
135.11682	48.2
137.13197	7.9
145.10110	13.9
147.11679	25.1
149.09590	3.7
149.13274	29.8
153.09090	5.3
159.11684	9.4
161.13286	16.1
163.11238	4.5
163.14835	6.2
173.13275	8.8
175.11214	2.8
175.14828	12.6
177.12808	7.7
177.16341	3.7
181.12262	8.2
187.11183	3.0
187.14816	4.5
189.16396	10.0
191.14308	9.8
191.17921	85.8
191.19571	4.9
192.18269	3.6
195.13777	12.6
203.18034	16.2
205.19519	12.5
207.13826	10.5
209.15350	22.9
215.17871	4.0
217.19554	16.4
219.17363	4.6
229.07391	4.3
231.20975	3.9
235.16995	3.9
247.08534	6.5
249.18608	3.2
257.22617	4.0
263.19919	3.9
290.44131	3.1
338.34412	3.6
354.19028	5.0
354.40063	2.9
357.31451	7.9
381.31348	3.4
399.14404	3.2
399.27402	10.2
399.32523	70.2
400.33044	3.8
400.37817	5.0
406.43628	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	399.3255
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
51.70947	0.3
53.03927	0.4
53.20611	0.3
55.05273	0.4
55.05505	2.8
57.07063	1.3
61.45256	0.3
67.05502	4.4
69.03408	1.1
69.07062	4.2
69.89462	2.0
71.04967	0.3
71.08625	0.4
71.51201	0.3
79.05489	3.3
81.07055	12.9
83.04973	0.7
83.08605	2.0
85.06518	0.6
91.05479	2.9
91.46641	0.3
93.06462	0.5
93.07040	9.8
95.04961	0.7
95.08602	16.0
97.05918	0.3
97.06519	1.4
97.10168	1.4
99.08058	0.4
101.51746	0.3
105.07024	9.2
107.04927	0.6
107.08590	13.2
109.06505	2.8
109.10151	11.2
111.08079	0.5
111.11709	0.7
113.09627	0.4
115.05515	0.4
117.07028	2.0
119.08572	10.5
121.06501	3.4
121.10140	10.9
121.11024	0.6
123.08043	1.0
123.11694	7.0
124.12009	0.4
125.09590	0.4
128.06158	0.3
129.06964	0.5
130.54352	0.3
131.08549	3.5
133.10126	8.3
135.08070	2.0
135.11682	12.7
136.12019	0.4
137.09605	0.4
137.13243	2.1
139.11168	0.4
143.08545	0.8
144.09346	1.2
145.10110	4.6
147.08046	0.5
147.10493	0.4
147.11679	7.9
149.09581	0.6
149.13248	6.4
151.07578	0.3
151.11179	1.1
153.12764	0.7
157.10150	1.8
159.11690	11.3
161.13240	3.8
163.11168	1.3
163.14804	3.3
165.09091	0.4
169.10139	0.4
171.11665	0.9
173.13249	3.7
175.11203	2.1
175.14824	1.8
177.12743	14.3
177.16356	1.4
178.13010	0.5
185.13242	0.8
186.68747	0.3
187.14813	2.3
189.12744	0.9
189.16371	2.4
191.10663	0.3
191.14319	3.2
191.17943	9.1
199.14859	0.7
201.12723	1.2
201.16405	1.7
203.14314	1.5
203.17949	3.5
205.19447	1.6
207.17433	0.3
209.15343	0.4
213.16422	0.4
214.49406	0.4
215.14343	1.1
215.17960	1.1
217.15875	1.3
217.19534	0.9
219.17368	0.5
227.17950	0.4
229.15836	0.6
229.19464	0.5
231.17398	0.7
231.21133	1.1
239.17807	0.4
241.19565	0.6
243.17422	0.6
245.18983	2.7
248.24194	0.3
255.21246	0.5
257.18945	0.7
259.20535	1.7
271.20462	0.7
285.22211	0.7
297.22144	0.6
299.23755	0.6
311.23575	0.4
338.34586	0.4
363.30441	1.3
381.31509	17.3
382.31900	1.5
399.32556	100.0
400.32916	7.4
400.37610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41615	0.3
50.52050	0.3
53.03931	0.5
55.01853	0.9
55.05499	1.0
56.05025	0.6
57.03422	0.7
61.02904	0.6
65.03928	0.4
67.05483	1.5
68.05025	4.1
69.03410	2.2
69.07059	1.0
69.35315	3.7
69.75344	0.4
70.06574	3.0
71.04977	0.8
72.08145	2.3
73.23768	0.3
73.49843	0.4
79.05487	3.2
80.04989	0.5
81.03406	1.0
81.07041	2.5
82.06583	0.5
83.04968	0.5
84.08114	1.4
85.02887	3.6
86.06070	0.8
86.09695	0.8
87.04464	0.3
91.05478	2.5
93.05777	5.9
93.07021	4.5
94.06558	0.8
95.04945	1.1
95.08586	3.2
96.04552	0.7
96.08115	1.9
97.02881	3.2
97.06516	0.6
97.07658	1.0
97.10173	0.4
98.05479	0.3
98.06028	2.1
98.09669	0.7
98.20706	0.7
99.04433	0.8
101.05981	0.8
103.05478	0.5
104.19301	0.4
105.07014	2.5
106.02895	1.2
106.06564	1.8
107.04937	0.4
107.08588	6.7
108.08112	6.1
109.02860	1.0
109.06464	0.6
109.07649	0.6
109.10139	1.5
110.02378	0.6
110.06017	0.7
112.07568	1.3
113.07113	2.4
119.04888	0.7
119.08547	1.2
120.08086	3.4
121.02910	0.5
121.06445	0.5
121.10111	1.4
122.09661	3.7
123.04380	0.4
123.08036	0.8
123.11652	0.5
124.03922	0.6
124.07553	1.2
124.11226	4.4
125.07101	0.7
125.09620	0.7
127.03892	1.5
127.08658	1.8
127.11166	0.7
128.07007	0.5
129.05478	0.8
129.07002	0.5
130.12846	0.4
131.08540	1.3
132.08089	0.4
133.10104	1.4
134.06000	0.6
134.09648	5.1
135.08070	0.4
135.10391	1.1
135.11624	0.5
136.07559	0.9
136.11124	0.4
137.02342	0.4
137.05965	0.6
137.07060	1.1
139.07483	0.5
143.08517	0.5
145.10071	1.6
146.09666	0.5
147.04391	1.4
147.06560	0.4
148.07532	5.8
148.11162	0.8
150.09126	1.5
151.08643	0.8
151.11174	0.4
152.07056	0.4
155.10635	0.4
157.10101	0.8
158.09619	0.4
159.10431	0.4
159.11685	0.7
160.11183	1.2
162.09123	18.1
162.12749	1.0
163.08568	0.5
163.11122	0.6
164.10690	4.0
164.13095	0.5
166.08591	0.7
167.07080	0.6
169.09781	0.5
173.09541	0.4
173.13284	0.4
174.12700	2.7
176.10677	1.7
177.10272	0.3
178.11026	1.0
189.12865	0.4
190.12239	6.1
192.16214	0.4
201.16451	0.5
202.12260	8.4
203.12428	0.4
204.13811	4.1
205.13387	0.9
210.09763	0.4
217.04721	0.4
219.14906	15.2
220.06026	0.7
220.15659	5.6
221.16501	2.8
233.16414	1.2
237.15953	100.0
238.06841	0.5
238.16234	4.5
245.04326	0.5
250.09187	0.4
252.10033	0.5
253.10886	3.7
315.17044	0.6
325.07123	0.4
328.06415	0.4
363.18753	0.6
381.20026	1.2
399.10687	2.1
399.16125	1.0
399.21176	22.1
399.27094	12.3
400.13489	0.5
400.21545	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1912
Annotation	(+)-Vincinine
Peak:m/z	Relative Intensity
55.01863	1.0
55.05514	2.5
56.05027	1.6
56.96563	1.4
57.03431	1.3
61.01142	0.8
61.02916	1.8
69.03432	2.4
70.06577	1.5
71.04977	0.6
71.39665	1.7
72.08150	100.0
72.66909	0.6
73.02927	1.1
73.08482	1.1
82.02941	1.2
85.02898	3.9
89.10784	7.6
91.05472	7.9
93.26814	0.7
97.02885	5.8
98.02422	3.2
98.06055	1.4
98.97569	2.9
99.00830	2.7
102.05556	1.5
107.04961	1.4
110.02393	44.8
115.08683	0.8
116.03505	0.8
119.01860	0.9
119.04938	17.1
120.05276	0.9
127.03909	3.4
128.02359	1.2
128.03448	3.3
128.98578	0.7
131.00121	1.0
136.06180	4.2
137.02861	0.9
145.06537	0.8
146.97124	0.6
147.04396	64.0
148.04765	4.9
149.01225	0.9
152.07056	35.4
153.07396	0.9
156.03590	1.3
161.01295	0.8
169.09712	34.0
170.08115	13.4
177.00696	0.8
187.10828	1.3
189.00723	0.9
201.00713	1.2
204.03018	0.7
212.08350	2.3
213.03442	2.1
213.09071	1.4
218.11739	15.5
222.03960	2.2
223.07443	0.9
228.05682	4.4
228.55927	0.7
235.14433	6.8
237.02849	0.7
237.13161	0.7
250.09360	4.5
265.08643	0.9
294.05972	4.0
298.09845	1.1
303.06540	1.5
364.15445	1.9
381.18033	9.2
382.16443	11.6
399.19113	73.7
400.19592	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	399.1915
Annotation	(+)-Vincinine
Peak:m/z	Relative Intensity
50.18402	0.5
53.00292	0.6
55.01871	0.8
55.05507	3.4
69.03425	1.0
70.06583	1.4
70.32269	1.5
71.14703	0.5
72.08150	100.0
73.08487	1.5
80.01382	0.9
82.02939	1.9
84.08106	0.5
85.02901	1.4
89.10785	3.3
91.05480	5.3
95.04953	0.7
97.02867	1.9
97.03416	0.5
98.02416	4.7
98.06047	2.3
99.00813	4.1
107.04948	4.5
110.02394	71.1
111.02742	0.8
115.08718	2.1
119.04931	9.4
120.05239	1.1
121.02911	0.5
122.00048	0.7
124.07610	0.7
125.40368	0.4
128.03426	4.8
138.05634	0.5
145.06448	2.1
147.04401	13.4
147.05508	0.9
148.04733	5.6
149.05920	0.5
151.08727	0.8
152.07056	46.4
153.07372	1.5
157.06444	0.6
165.07004	0.6
169.09711	43.4
170.08119	22.1
170.09595	0.5
187.10738	0.8
201.23410	0.5
207.06667	0.8
212.08281	4.7
213.09131	2.9
218.11742	0.9
219.08020	1.0
223.07504	1.2
232.57159	0.6
235.14436	1.8
237.09045	1.7
238.14345	0.7
247.07515	0.7
253.65161	0.5
265.08633	1.9
269.07315	0.6
338.60739	0.5
364.15375	3.4
381.18027	9.1
382.16464	11.4
399.19119	78.3
400.15414	0.7
400.19629	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	399.1914
Annotation	(+)-Vincinine
Peak:m/z	Relative Intensity
55.01875	0.5
55.05502	2.3
61.62840	0.4
65.30985	0.4
70.06578	1.4
71.61708	0.8
72.08149	100.0
73.08474	0.7
80.01379	0.7
82.02930	1.1
85.02895	1.5
89.10784	1.1
91.05466	2.6
98.02406	3.4
98.06057	0.9
99.00812	4.9
107.04947	1.9
110.02393	62.4
115.08685	0.6
116.03442	0.9
119.04936	4.3
121.02862	0.8
128.03430	4.1
131.04929	0.6
145.06485	1.3
147.04407	2.7
152.07054	53.4
153.07365	1.0
167.08620	0.6
169.09706	47.0
170.08110	17.6
170.10236	0.8
187.10815	0.8
195.08145	0.7
212.08360	2.5
213.09047	2.4
223.07503	1.0
237.09146	1.7
251.06989	2.7
265.08676	1.4
293.08160	1.7
346.65863	0.5
364.15475	2.5
381.18063	10.7
382.16415	5.9
399.19128	52.8
400.19662	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	399.1433
Annotation	Piscerynetin
Peak:m/z	Relative Intensity
55.01864	1.0
55.05500	0.7
57.03393	0.3
65.03931	0.6
67.05497	5.3
68.99773	0.5
69.03412	1.1
69.07050	1.1
69.29955	1.9
69.30383	2.9
75.65796	0.3
77.27729	0.4
79.05470	1.7
81.03388	0.5
81.07043	3.0
83.04956	0.7
85.02879	0.6
85.06514	0.9
91.05474	2.1
93.07026	1.6
95.04962	6.4
95.08569	1.3
95.12741	0.5
97.02863	1.2
97.06536	0.9
103.05487	0.4
105.07006	1.8
107.04938	2.0
107.08596	1.0
109.06497	2.1
109.10160	0.8
111.04422	0.6
119.04920	0.9
119.08559	1.3
121.02837	0.5
121.06470	0.8
121.10154	1.0
123.04412	100.0
123.11671	0.7
124.04750	1.3
127.03869	0.5
128.06204	0.5
129.06961	0.7
131.04973	0.4
131.08560	1.3
133.06471	1.8
133.10117	0.9
135.04419	2.0
135.08012	0.5
135.11646	0.5
137.02327	0.9
137.05980	0.5
141.07005	0.5
143.08524	0.5
145.06468	0.7
145.10124	0.9
147.04387	4.3
147.08116	0.7
147.11618	0.4
149.05956	0.5
149.09624	1.7
151.03902	0.6
151.07458	0.6
153.01805	0.8
153.05447	1.4
155.08571	0.5
157.10179	0.9
159.08035	0.7
161.05974	1.0
161.09570	0.4
163.03871	1.0
163.07570	0.4
167.03369	0.4
167.07036	0.5
173.05905	0.8
173.09575	0.6
175.03941	0.5
175.07573	1.1
176.70941	0.5
177.05432	0.8
177.09180	0.7
181.04977	0.5
183.02951	0.8
185.06055	0.5
185.09578	0.9
187.03937	1.5
189.05469	2.4
189.09064	0.9
191.03377	1.1
199.02406	0.8
199.07545	0.7
201.05415	0.5
201.08965	0.5
203.03481	2.4
203.07034	0.8
205.05000	2.2
213.05484	0.5
213.09140	0.9
215.06879	0.6
217.04930	4.5
217.08482	2.2
219.10191	1.3
219.13911	0.5
225.09122	0.8
227.07022	0.5
229.05006	1.1
229.08589	1.8
230.05730	0.5
231.10165	1.3
241.08580	1.4
243.06514	0.4
245.08054	8.0
253.08588	1.6
255.06549	0.6
259.09634	21.2
260.09756	0.7
260.58896	0.5
263.09158	1.8
271.09579	8.4
277.08389	0.5
277.10791	5.8
279.08694	1.0
289.10519	4.2
303.73154	0.4
305.07889	0.6
307.06137	0.4
307.13181	0.5
309.07532	1.1
319.06113	0.5
319.09674	0.5
321.07620	0.6
327.08612	0.9
329.06970	0.5
333.07523	0.6
335.08951	0.6
335.12857	1.2
345.11172	2.1
347.09094	0.9
348.09912	1.2
353.13824	0.9
363.12225	22.6
364.12463	0.7
381.13303	62.3
382.13577	2.4
399.14349	74.9
400.14694	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	399.1437
Annotation	Gnaphaliin 7-epoxymethylbutyl ether
Peak:m/z	Relative Intensity
55.01836	0.6
55.05470	0.6
57.03397	0.6
57.07026	0.6
59.04943	0.5
60.39104	0.3
65.03892	0.4
67.05495	1.7
68.99763	0.4
69.03392	0.7
69.07018	1.2
70.06561	0.4
70.80339	0.3
70.80668	0.8
70.95735	0.3
71.08590	0.4
79.05470	1.5
81.03355	1.0
81.07050	2.6
83.04916	0.7
83.08578	0.4
84.08078	0.3
85.02834	0.4
85.06512	0.5
85.10063	0.3
91.05473	1.6
93.03333	0.4
93.06974	1.3
95.04893	1.0
95.08614	1.6
97.02876	1.7
97.06458	1.2
97.10100	0.4
105.03351	0.4
105.06963	1.4
107.04949	1.4
107.08562	1.6
109.06424	0.4
109.10073	1.1
111.04388	0.5
113.77911	0.3
119.04867	1.2
119.08495	1.2
121.02885	2.7
121.03638	0.6
121.10078	0.8
123.04408	1.5
123.07977	0.5
123.11662	0.8
125.05921	0.4
129.06937	0.3
131.04834	0.8
131.08499	0.8
133.02821	0.5
133.10052	1.1
135.04388	0.7
135.08067	0.5
135.11584	0.8
137.05885	0.9
143.08505	0.6
144.05759	0.4
145.06467	0.4
145.10089	0.5
147.04341	1.2
147.06461	0.4
147.07970	0.3
147.11613	0.7
153.01765	0.7
153.05405	0.9
153.06677	0.4
159.04337	0.5
159.11610	0.6
161.05858	0.4
161.13217	0.6
163.03830	0.8
165.09044	0.4
167.03391	0.3
167.07069	0.6
167.08464	0.3
171.08051	0.5
173.05939	0.5
175.03809	0.4
177.05420	0.6
179.08502	0.4
181.04889	0.7
183.02837	0.5
183.07979	0.4
183.11440	0.4
185.13179	0.3
187.03842	0.7
187.07521	0.4
191.03387	2.3
199.07480	0.7
203.03310	1.0
205.04901	0.5
207.08076	0.4
209.04451	1.7
223.07564	0.3
225.09097	0.5
227.06958	0.5
235.07550	0.4
251.07065	0.4
253.08661	0.5
255.06490	0.8
263.06970	0.5
265.08514	0.6
267.06607	0.6
273.07626	1.6
275.13846	0.4
279.08578	0.6
281.08051	2.6
283.05853	0.8
293.08069	1.8
295.05936	0.6
297.07657	0.9
299.05450	0.4
305.07977	0.5
307.06036	0.8
309.07538	51.1
310.07788	2.7
312.05441	0.3
315.08392	0.4
321.07620	4.3
321.11078	0.7
323.05820	0.3
323.09189	2.0
325.06866	0.4
327.08539	9.4
328.08875	0.5
333.07480	0.7
334.08405	0.6
335.08966	1.1
335.12689	0.4
337.10666	0.3
338.07712	0.4
339.08582	4.2
341.10178	0.4
343.08246	0.5
345.11203	3.2
348.09979	1.0
353.10004	0.6
363.12244	10.1
364.12561	0.4
381.08841	2.5
381.13773	4.0
399.14389	100.0
400.14703	4.7
423.85281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1435
Annotation	Piscerynetin
Peak:m/z	Relative Intensity
50.03319	0.5
53.03927	0.5
55.01857	1.2
55.05501	0.6
65.03927	0.7
67.05502	5.3
68.79200	0.4
68.99735	0.6
69.03400	1.6
69.07056	1.2
69.34286	4.8
72.08155	0.5
79.05486	1.5
81.03403	0.7
81.07054	2.8
81.07447	0.4
85.96090	0.5
91.05440	2.3
93.07024	2.1
95.04958	5.8
95.08586	0.8
97.02888	0.4
97.06530	0.7
105.07001	1.4
105.73895	0.5
107.04944	1.6
107.08585	1.4
108.07445	0.5
109.02861	0.5
109.06495	1.3
111.04453	0.5
115.05439	0.5
117.06927	0.5
119.04949	1.0
119.08540	1.3
121.06549	0.5
121.10134	0.9
123.04419	100.0
123.11703	0.6
124.04754	1.2
131.08548	1.5
133.06470	1.8
133.10104	1.0
135.04391	2.4
135.08051	0.9
135.11671	0.5
145.10056	0.7
147.04419	4.9
147.06430	0.7
149.05919	0.8
149.09605	1.7
155.08582	0.6
159.08078	0.6
161.05957	1.2
161.09637	0.6
163.03923	1.3
163.06256	0.5
171.08032	0.7
173.13188	0.5
175.03909	0.5
175.07542	1.2
177.05493	0.8
177.09103	0.9
183.02956	0.6
185.09650	1.1
187.03915	1.8
187.07532	0.6
189.05528	2.4
191.03416	1.1
201.05518	1.1
201.09088	0.7
203.03348	1.6
203.07013	1.2
203.10500	0.5
205.04927	3.3
207.02907	0.6
209.04474	0.5
211.07428	0.5
213.05424	0.5
213.09091	1.4
214.06322	0.6
215.07024	0.5
217.05013	5.1
217.08473	2.9
219.10011	0.6
223.07483	0.8
225.09244	0.6
227.07074	0.8
229.05028	1.2
229.08627	2.2
231.10190	2.1
241.08629	1.3
243.10190	0.7
244.07289	0.9
245.08110	8.3
247.13622	0.6
253.08580	1.7
256.07285	0.5
259.09644	21.2
263.09140	0.9
271.09631	9.1
277.10706	5.4
283.05899	1.1
289.10583	4.2
293.07971	0.6
295.09567	0.5
307.05963	1.0
309.07532	1.4
311.08963	0.5
320.06598	0.6
321.07516	1.6
321.10925	0.6
325.06985	0.6
327.08401	0.9
333.07492	0.6
335.12827	1.2
345.11169	2.0
347.09152	0.8
348.09848	0.8
353.10071	0.5
363.12238	21.3
364.12686	1.3
381.13318	58.9
382.13663	3.2
399.14377	67.4
400.14688	2.8
417.84372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1437
Annotation	Piscerynetin
Peak:m/z	Relative Intensity
53.03921	0.3
54.71485	0.3
55.05505	0.4
56.95826	0.2
65.03946	0.4
66.97404	0.3
67.05504	1.5
69.03427	0.3
69.07057	0.4
79.05501	0.3
81.07068	0.8
91.05477	1.3
93.07030	0.6
95.08634	0.5
105.03406	0.5
105.07028	0.4
107.04959	1.7
107.08613	0.6
109.06641	0.3
111.04420	0.6
117.07059	0.3
119.04933	1.6
119.08619	0.4
121.02850	3.5
121.10135	0.4
123.04465	0.3
128.06221	0.5
129.06973	0.7
131.04912	1.4
133.02876	0.4
135.04433	0.6
135.11647	0.6
143.08601	0.6
145.06477	0.5
147.04417	0.9
153.06956	0.6
155.08496	0.5
159.04414	0.3
159.08081	0.4
163.03928	0.6
165.07104	0.3
167.08530	0.3
169.06577	0.4
170.70119	0.3
171.08067	0.6
175.04007	0.5
175.07660	0.3
181.06441	0.4
183.08055	0.3
185.06079	0.3
191.03374	1.0
193.05061	0.3
195.08025	1.4
197.05893	0.4
199.07564	0.6
203.03401	0.8
203.08682	0.4
207.08109	0.4
209.04424	0.6
213.05394	0.5
217.05020	0.4
219.08127	0.4
223.07628	0.4
224.08105	0.4
227.07034	0.9
229.75484	0.3
231.08075	0.5
237.09174	0.4
241.08458	0.3
245.09769	0.3
246.10387	0.3
247.07658	0.4
255.06340	0.5
256.08765	0.4
261.09116	0.5
265.08548	0.8
274.09891	0.9
277.08551	0.4
281.08087	1.1
283.06033	0.9
289.12146	0.7
291.06451	0.3
293.08105	4.3
294.08514	0.4
295.06049	0.3
297.07617	1.3
302.09418	0.9
303.06729	0.4
303.10028	0.6
305.08032	1.4
306.08585	0.5
307.06204	0.5
307.09586	0.9
309.07535	33.6
310.07925	1.3
317.11642	0.8
319.09619	0.3
320.06833	0.5
321.07645	9.0
321.11224	1.7
322.08002	0.4
323.09106	1.2
325.07217	0.4
327.08469	4.4
328.09470	0.3
333.07532	4.4
333.11423	0.5
334.08286	2.9
335.09088	3.2
335.12854	0.9
339.08624	1.0
345.11188	14.4
346.11575	0.8
347.09155	3.0
348.09879	3.9
363.12241	47.3
364.12463	2.2
381.13293	100.0
382.13644	4.5
399.14594	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	399.1435
Annotation	Piscerynetin
Peak:m/z	Relative Intensity
51.96106	0.4
53.03877	0.3
55.05413	1.0
55.05655	0.7
57.06984	0.5
59.56364	0.3
65.03844	0.5
66.84031	0.4
67.05384	2.3
67.05771	0.8
68.68809	0.3
69.03313	0.9
69.06937	1.2
69.07280	0.4
70.50380	0.3
71.08525	0.8
71.62556	0.5
72.08056	0.4
73.95425	0.4
79.05362	1.7
81.03337	0.6
81.06924	2.7
81.07446	0.6
83.04894	0.5
83.08521	0.4
85.02788	0.4
91.05339	1.8
93.06895	1.5
95.04836	0.7
95.08479	1.2
97.02742	0.9
97.06394	1.0
97.10062	0.4
101.05923	0.3
105.03254	0.5
105.06881	1.4
107.04804	4.1
107.08442	1.7
109.06408	0.7
109.10031	1.2
111.04311	0.4
115.05291	0.4
116.98507	0.4
117.06905	0.6
119.04793	1.4
119.08447	1.1
121.02850	4.9
121.06384	0.5
121.09993	0.9
123.04314	0.9
123.07934	0.6
123.11608	0.6
125.05782	0.4
128.06126	0.5
129.05338	0.7
129.06917	0.8
131.04782	1.1
131.08424	1.0
133.02689	1.0
133.06429	0.5
133.09991	1.2
134.99490	0.4
135.04399	3.9
135.07921	0.4
135.11610	0.6
137.05774	0.5
143.08366	1.2
145.06366	0.9
145.09996	0.8
147.04414	1.7
147.06364	0.4
147.08029	0.4
147.11549	0.6
149.05869	0.6
149.09427	0.4
149.13158	0.5
151.07442	0.4
153.06836	0.5
155.08414	0.5
157.06352	0.7
157.09940	0.5
159.04332	0.6
159.07947	0.7
159.11577	0.6
161.01024	0.5
161.02254	0.6
161.13179	0.6
163.03720	1.2
163.14465	0.4
165.05353	0.7
165.12738	0.3
167.06938	0.5
167.08382	0.6
171.07918	1.2
173.05856	0.6
173.09433	0.4
173.13023	0.5
175.03798	0.4
181.04901	0.4
181.06419	0.6
183.07903	0.7
184.04985	0.5
185.05873	0.4
191.03256	1.3
193.04794	0.6
195.07996	0.8
197.05894	0.4
199.07382	1.1
201.09047	1.9
203.03357	0.5
203.06870	0.5
209.04314	0.6
211.07278	0.4
213.09035	0.5
217.04778	0.5
219.07935	0.5
221.09518	0.4
223.07480	0.7
224.08340	0.4
225.09013	0.6
227.06989	4.3
228.09242	0.5
231.07956	0.7
241.08334	0.5
245.07959	1.2
252.07866	0.4
253.05096	0.4
253.08424	0.7
255.06259	0.8
256.08850	0.5
265.08386	0.7
267.06424	1.6
267.10031	1.0
271.05865	0.4
273.09006	0.5
274.09756	1.0
277.08444	1.1
279.06522	0.7
281.07956	0.9
283.05887	1.3
289.12152	0.8
289.17877	1.0
291.06595	0.6
291.09882	0.5
292.07175	0.4
293.08005	4.7
295.05945	1.3
295.09583	1.2
297.07681	1.7
302.09213	0.8
305.08047	1.3
306.08783	0.8
307.05988	0.7
307.09549	1.1
309.07544	27.9
310.07867	1.5
316.10800	0.7
317.11670	1.6
319.05923	1.1
319.09589	1.1
320.06711	0.7
320.10199	0.8
321.07605	8.4
321.11142	1.4
322.07880	0.7
323.09027	0.9
325.06900	1.3
327.04913	0.5
327.08499	3.8
329.08002	0.8
330.09058	0.6
331.09540	0.6
333.07535	5.7
334.08289	2.6
335.09039	3.6
335.12750	1.9
339.08463	0.6
343.08038	0.6
345.07059	0.6
345.11176	9.4
346.11618	0.5
347.09137	7.3
348.09830	3.7
353.09769	0.5
363.12231	100.0
364.12567	5.7
381.13312	67.6
382.13568	4.1
393.12878	0.4
396.68649	0.4
399.14392	22.1
399.32703	0.8
400.14755	0.8
411.14307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1434
Annotation	Baohuosu
Peak:m/z	Relative Intensity
53.03903	0.3
55.01841	0.4
55.05473	0.6
65.03876	0.3
67.05441	1.0
68.99749	0.4
69.03432	1.5
71.06994	0.8
79.05434	0.6
91.05476	2.0
93.03304	0.5
94.50022	0.3
95.04966	1.7
107.04898	0.5
119.04865	1.1
122.24046	0.3
123.04410	6.6
124.04712	0.7
135.04359	1.1
137.02280	1.1
137.05933	0.3
138.38098	0.3
141.01822	0.8
141.05367	0.4
147.04399	3.3
149.02280	0.6
149.05836	0.5
161.02266	0.5
161.05859	0.4
163.03897	0.4
165.05438	1.4
165.06866	0.4
167.03351	0.9
167.08524	0.5
173.05904	0.4
181.04877	0.8
181.06378	0.4
191.03371	9.9
195.07996	1.1
205.06456	0.5
209.04425	7.8
211.03857	0.4
215.06874	0.6
218.74261	0.3
223.07550	1.0
241.08548	1.0
251.06982	1.2
253.04913	0.4
255.06450	0.4
269.08029	0.9
271.05954	1.1
279.06482	1.3
285.10419	0.3
297.07510	3.6
304.12408	0.3
307.05972	8.6
308.06186	0.4
309.07504	0.8
325.07022	100.0
326.07364	4.2
337.10898	0.7
343.08084	37.0
344.08408	1.2
363.12277	0.8
381.13293	7.8
382.13727	0.7
399.14349	26.6
400.14771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1433
Annotation	Piscerynetin
Peak:m/z	Relative Intensity
50.22360	0.4
55.01855	0.7
55.05486	0.5
65.03933	1.1
67.05504	4.3
69.03419	1.9
69.56474	3.6
72.74877	0.4
73.48560	0.4
79.05475	1.3
81.07048	2.1
83.20820	0.5
86.90339	0.4
91.05475	1.4
93.07029	1.0
95.04960	6.8
95.08579	1.6
105.06983	1.0
107.04935	1.6
107.08593	1.0
109.06490	1.8
109.10125	1.1
119.04955	0.4
119.08555	0.6
121.10110	1.0
123.04415	100.0
123.11663	0.4
124.04745	1.6
129.06995	0.7
131.04919	0.5
131.08546	0.7
133.06470	1.1
135.04398	1.8
135.11649	0.5
137.02367	0.9
139.03870	0.5
142.07861	0.6
143.08553	0.7
145.06494	0.7
145.10080	0.7
147.04390	3.5
147.07991	0.6
147.11581	0.6
149.09616	1.6
153.05385	0.7
157.10132	0.7
159.07991	1.0
161.05936	1.4
163.03886	1.3
166.09523	0.4
171.08023	0.5
173.06012	0.7
175.07521	1.1
179.08601	0.6
185.09579	0.8
187.03891	1.7
187.07457	0.7
189.05476	2.2
191.03397	0.8
191.17998	1.0
197.09619	0.6
199.07536	0.7
201.05450	1.0
201.09073	0.7
203.03363	1.9
203.07033	0.6
203.10635	0.6
205.04979	2.2
213.09117	1.3
215.06990	0.8
217.04948	5.5
217.08565	1.9
219.10213	1.2
227.07079	1.0
229.04906	1.2
229.08575	2.0
230.05403	0.5
231.10175	1.5
241.08571	1.5
243.06447	0.5
244.07378	0.5
245.08055	7.7
253.08572	1.3
259.09637	21.9
260.09988	0.9
263.09137	1.4
271.09619	9.4
277.10721	5.0
283.05945	0.5
289.10687	4.3
295.05991	0.5
309.07678	0.7
319.05948	0.8
325.07138	0.6
335.12799	1.3
343.08215	0.5
345.11307	2.1
348.10034	1.2
363.12216	26.2
364.12656	0.9
381.13284	64.0
382.13696	2.6
399.14328	64.5
400.14731	2.6
420.05344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22360	0.4
55.01855	0.7
55.05486	0.5
65.03933	1.1
67.05504	4.3
69.03419	1.9
69.56474	3.6
72.74877	0.4
73.48560	0.4
79.05475	1.3
81.07048	2.1
83.20820	0.5
86.90339	0.4
91.05475	1.4
93.07029	1.0
95.04960	6.8
95.08579	1.6
105.06983	1.0
107.04935	1.6
107.08593	1.0
109.06490	1.8
109.10125	1.1
119.04955	0.4
119.08555	0.6
121.10110	1.0
123.04415	100.0
123.11663	0.4
124.04745	1.6
129.06995	0.7
131.04919	0.5
131.08546	0.7
133.06470	1.1
135.04398	1.8
135.11649	0.5
137.02367	0.9
139.03870	0.5
142.07861	0.6
143.08553	0.7
145.06494	0.7
145.10080	0.7
147.04390	3.5
147.07991	0.6
147.11581	0.6
149.09616	1.6
153.05385	0.7
157.10132	0.7
159.07991	1.0
161.05936	1.4
163.03886	1.3
166.09523	0.4
171.08023	0.5
173.06012	0.7
175.07521	1.1
179.08601	0.6
185.09579	0.8
187.03891	1.7
187.07457	0.7
189.05476	2.2
191.03397	0.8
191.17998	1.0
197.09619	0.6
199.07536	0.7
201.05450	1.0
201.09073	0.7
203.03363	1.9
203.07033	0.6
203.10635	0.6
205.04979	2.2
213.09117	1.3
215.06990	0.8
217.04948	5.5
217.08565	1.9
219.10213	1.2
227.07079	1.0
229.04906	1.2
229.08575	2.0
230.05403	0.5
231.10175	1.5
241.08571	1.5
243.06447	0.5
244.07378	0.5
245.08055	7.7
253.08572	1.3
259.09637	21.9
260.09988	0.9
263.09137	1.4
271.09619	9.4
277.10721	5.0
283.05945	0.5
289.10687	4.3
295.05991	0.5
309.07678	0.7
319.05948	0.8
325.07138	0.6
335.12799	1.3
343.08215	0.5
345.11307	2.1
348.10034	1.2
363.12216	26.2
364.12656	0.9
381.13284	64.0
382.13696	2.6
399.14328	64.5
400.14731	2.6
420.05344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1435
Annotation	Ebenfuran VIII
Peak:m/z	Relative Intensity
55.05502	1.0
56.10671	0.6
56.96560	1.0
57.07059	0.5
67.05491	2.2
69.03431	1.1
69.07068	1.2
71.08624	0.8
72.08176	0.6
72.80458	0.6
79.05491	1.1
81.03424	1.5
81.07054	3.2
81.79066	0.6
83.04982	0.6
83.08590	0.6
85.06512	0.7
91.05460	1.3
93.07028	1.8
95.04967	1.5
95.08595	2.5
98.20789	1.1
98.45444	0.5
105.07025	1.6
107.08592	2.0
109.02956	0.5
109.06496	0.7
109.10124	2.2
111.04414	0.9
117.03384	1.7
117.07030	0.6
119.04927	0.8
119.08580	1.5
121.10134	1.6
123.04423	5.3
127.51793	0.5
129.05428	0.5
134.03610	4.7
135.04433	1.3
135.11746	0.9
137.02345	1.7
137.05951	1.0
141.01843	0.6
142.07700	0.6
145.10193	0.8
147.04402	0.9
147.11612	0.7
149.02338	2.2
149.05959	1.0
151.03908	1.5
151.07504	1.4
153.06990	0.9
155.35455	0.6
161.02292	0.6
161.06003	0.6
161.13319	0.5
163.03911	0.9
163.07675	0.6
163.62724	0.6
165.01836	1.0
167.03406	1.5
175.07439	0.7
177.05498	1.1
179.03502	0.6
181.06461	0.9
185.06000	0.7
189.09094	0.8
191.17892	1.0
192.93813	0.6
195.02870	1.4
197.04425	0.9
197.06032	1.3
198.06644	0.8
209.00824	1.8
211.02362	0.7
213.05492	0.9
215.07079	0.8
221.04330	2.9
225.05392	0.6
226.06293	3.0
227.01819	1.0
227.06892	1.3
235.06018	1.8
237.05434	2.0
238.06305	0.6
250.08293	0.8
253.04907	1.1
254.05663	0.9
255.06525	1.3
265.04965	2.1
267.06299	0.8
269.08020	0.9
281.04520	2.0
281.07996	0.9
282.02094	1.1
282.05200	21.6
283.05881	2.3
284.06812	2.8
288.07504	0.6
295.05997	1.2
296.06625	1.5
297.04013	1.0
297.07526	25.4
298.04620	1.0
298.07883	1.7
299.05411	3.0
300.06274	0.7
309.07697	0.8
309.11041	0.9
311.05493	8.7
311.08878	1.3
312.06238	27.9
313.06885	1.9
315.08597	1.2
318.94803	0.7
323.05615	1.0
323.09177	1.6
324.06213	2.4
325.03415	8.7
325.07089	5.4
326.03882	0.9
326.07797	1.5
327.04950	24.4
327.08630	100.0
328.05420	1.6
328.08990	4.0
335.08954	0.8
336.06268	1.0
337.07007	1.5
337.10800	0.8
338.07629	1.3
339.08597	12.6
339.12628	0.7
340.08789	1.3
341.06500	2.1
341.10260	2.0
343.04398	2.0
343.08087	4.7
348.09885	2.4
349.10587	2.0
351.08615	4.5
353.10049	3.2
363.12207	1.7
365.10150	0.7
366.10910	9.1
367.11414	1.0
369.13443	5.1
381.13306	68.9
382.13654	4.2
399.10440	19.6
399.14395	56.6
399.24884	0.8
399.32333	1.5
400.10626	1.5
400.15118	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	399.1435
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
50.39114	0.4
51.80501	0.3
55.05460	0.5
57.07008	0.3
63.41320	0.3
67.05443	1.0
67.89392	0.3
69.07007	0.7
70.44368	0.9
71.08583	0.4
72.08101	0.4
74.25555	0.3
79.05424	0.9
81.06999	1.0
83.08565	0.4
85.06530	0.4
85.10114	0.4
91.05418	0.4
93.06992	0.6
95.08576	0.7
97.02827	0.4
101.05930	0.4
105.03382	0.3
105.06992	0.6
106.06425	0.3
107.08541	0.7
109.10094	0.8
119.08510	0.5
121.10085	0.6
129.05362	0.4
133.02797	1.6
133.10065	0.7
134.03561	0.5
135.11682	0.4
145.06406	0.7
148.05170	2.3
163.69661	0.3
167.03342	0.5
169.01295	0.4
173.05933	0.7
184.05194	0.9
185.05931	0.6
189.11284	0.3
201.05394	1.3
211.03911	0.5
213.05444	0.4
215.06950	0.9
216.07765	0.4
229.04980	1.7
243.06435	1.4
244.07300	3.0
253.04901	0.7
257.04434	1.4
269.04364	0.7
271.05908	0.9
272.06799	1.2
282.05075	0.6
283.05798	0.6
285.03873	2.8
299.05490	2.2
300.06247	5.0
301.06891	0.4
310.04605	2.3
313.03427	7.7
314.03781	0.7
315.04956	0.5
315.08551	0.8
327.04971	2.5
328.05740	41.8
329.06238	1.9
343.08090	100.0
344.08395	3.7
381.12973	0.4
399.14355	33.2
400.14639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1434
Annotation	viridiflorin
Peak:m/z	Relative Intensity
54.48026	0.4
55.05494	1.1
57.07064	1.0
58.20433	0.5
60.88150	0.5
67.05499	0.5
69.07040	1.0
69.40240	0.7
69.40647	4.4
71.08628	0.8
74.76096	0.5
79.05451	0.7
81.03399	0.7
81.07030	1.5
83.08614	0.5
85.06561	0.5
89.03908	1.1
93.07038	1.2
95.08590	1.5
99.77105	0.4
101.06002	0.8
105.07019	1.5
107.08554	1.7
109.02861	1.7
109.06502	0.5
109.10120	0.8
117.03380	1.1
119.08566	1.3
121.10127	1.2
123.11681	0.5
131.08569	0.7
133.10146	0.7
133.57829	0.5
134.03609	1.8
147.06442	0.5
153.05548	0.5
153.06882	0.5
177.01814	1.4
181.06413	0.5
183.04301	0.4
190.59607	0.4
192.41788	0.4
195.02873	6.3
209.06084	0.7
226.06120	0.7
253.04942	3.8
254.05585	1.1
265.05020	1.1
282.05188	2.8
293.04404	11.0
297.07468	0.8
309.03928	1.3
310.04684	26.2
311.05469	21.2
312.06015	1.4
325.07037	100.0
326.07477	3.6
327.08649	3.6
343.08072	0.8
367.11832	5.9
381.13309	27.8
382.13644	1.7
399.14459	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	398.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01865	7.4
55.05503	2.4
57.03434	16.2
59.04978	1.6
61.02922	11.6
66.43777	0.9
69.03423	33.4
69.07063	34.2
70.06575	5.4
71.01350	3.2
71.04982	2.2
71.27025	1.8
72.07790	1.5
72.08151	15.6
73.02911	67.9
74.03257	1.2
79.05479	1.5
81.03406	6.9
81.07058	2.1
82.06598	1.1
83.04965	1.2
84.08157	4.6
85.02898	100.0
86.03255	1.5
86.09706	3.3
87.04466	7.6
91.03954	5.1
91.05466	2.7
93.07027	1.9
95.04968	1.9
95.08614	2.2
96.08172	0.9
96.32306	0.8
97.02884	63.1
97.06497	1.0
98.03252	1.1
98.06065	2.3
99.04459	5.3
101.02370	1.4
102.05569	0.9
103.03934	3.2
105.07022	1.2
107.04972	1.1
108.08072	1.1
109.02861	7.9
110.02430	6.3
110.03108	1.3
110.09711	1.1
111.04449	1.6
111.08073	4.0
112.07601	3.9
114.10291	1.0
115.03918	38.2
115.08679	1.0
116.07073	1.3
119.04938	4.1
119.08577	1.0
121.06481	1.7
122.09663	3.7
123.04405	1.9
123.08055	2.4
124.07584	4.5
127.03911	35.5
128.04247	0.9
131.12932	1.4
133.04953	47.7
134.05331	1.1
134.09647	2.8
135.04457	1.1
135.08093	1.0
136.06172	1.4
137.02280	1.1
145.04947	59.0
146.05124	1.0
147.04399	15.2
147.07999	1.1
148.04659	0.9
150.07613	3.7
152.07085	4.3
154.08647	1.0
157.04965	1.2
162.12694	1.2
163.05998	30.8
165.09097	2.5
169.09712	3.8
170.08144	1.4
175.03865	1.3
177.05394	1.1
181.04921	1.3
183.10168	2.7
191.03323	1.4
193.04956	1.9
193.09119	0.8
195.10155	1.9
199.06032	1.9
201.00616	1.0
201.11215	4.8
207.06577	1.7
207.15051	1.0
213.11217	2.9
217.07016	2.0
223.05992	6.8
231.12233	3.4
236.09254	0.9
236.12836	6.0
241.07008	10.7
241.09204	0.9
242.07515	0.9
251.17531	1.5
256.27982	0.8
258.37021	0.8
259.08115	20.8
259.14337	1.5
277.09158	4.1
277.15515	3.0
295.10202	16.6
344.23389	1.2
362.24335	5.4
380.25351	4.3
381.17929	1.6
398.18445	1.6
398.21393	1.3
398.26425	7.7
399.14224	1.2
399.18936	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	398.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37457	0.1
65.03931	0.4
69.03416	0.4
69.64639	0.7
69.65049	0.2
72.08149	6.7
73.06577	0.2
82.89427	0.1
90.09199	1.0
91.05469	4.6
92.05806	0.2
97.02876	0.2
98.21469	0.2
99.23077	0.1
110.02406	0.3
119.04931	16.0
120.05243	0.2
127.03893	0.5
147.04393	100.0
148.04720	1.9
152.07057	0.2
165.05521	0.2
236.12787	1.3
291.08578	1.0
295.66745	0.1
309.09616	3.1
398.18060	2.5
399.18640	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	398.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06467	0.2
50.22654	0.2
64.51147	0.2
65.03923	0.5
67.44344	0.2
69.03423	1.2
70.67506	0.6
72.08148	8.7
73.06543	0.3
81.03429	0.2
81.50700	0.2
85.02883	1.5
90.09190	2.4
91.05467	4.5
91.21213	0.2
97.02878	0.7
102.87821	0.2
104.27122	0.2
110.02385	0.5
119.04927	15.6
120.05308	0.2
120.75119	0.2
127.03904	0.8
147.04391	100.0
148.04747	1.8
152.07025	0.2
165.97336	0.2
218.11668	0.3
236.12791	11.3
237.13043	0.2
291.08588	0.9
309.09695	1.5
398.17819	1.1
398.26044	0.3
399.19162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65969	1.9
54.71933	2.2
55.05506	7.6
55.65317	2.2
57.07071	2.9
67.05496	7.3
69.07066	16.8
71.38124	4.2
79.05490	9.0
81.07050	22.6
83.08606	5.0
93.07062	15.5
95.08606	49.5
97.10164	4.7
105.07027	8.2
107.08589	42.4
109.10152	34.7
111.11712	7.1
119.08583	20.1
121.10143	46.7
123.11710	19.5
125.09592	2.6
133.10124	15.5
135.11670	18.7
137.09642	3.3
137.13261	6.1
145.10121	3.5
147.11647	11.8
149.13255	6.9
159.11740	3.7
161.13306	13.4
163.14848	17.3
175.14815	7.1
177.16422	12.2
189.16389	8.4
191.17937	7.2
193.15921	7.3
203.17992	5.3
205.19569	7.1
207.17403	13.1
217.19518	34.8
219.17459	2.6
231.20895	2.9
282.86719	2.7
287.23718	4.2
301.25226	3.4
324.01453	2.4
397.34674	100.0
398.35046	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.0
57.07077	13.1
61.28162	2.4
62.26202	2.9
66.93623	2.5
67.05499	18.7
69.07062	22.4
70.05578	5.3
70.05981	13.6
70.79426	3.1
71.08627	13.3
77.83217	2.9
79.05482	9.3
81.07045	39.9
83.08610	12.1
85.10158	10.6
89.22618	2.5
91.05483	8.3
93.07042	17.5
95.08596	40.6
97.10164	9.3
105.07018	20.1
107.08583	18.9
109.10141	34.3
111.11688	5.4
112.59417	2.8
119.08565	14.6
121.10092	13.3
121.57079	2.9
123.11702	12.3
128.25871	3.0
131.60323	2.7
133.10097	13.5
134.31049	2.6
135.11670	31.6
137.13261	5.4
145.10110	3.0
147.11668	43.5
149.13255	14.8
159.11720	2.9
161.13246	36.9
163.14818	7.4
175.14804	13.9
189.16386	7.9
201.16376	5.9
203.17897	4.4
215.17917	6.6
217.19296	3.5
229.19504	4.7
232.67397	2.9
243.21106	3.8
257.22644	3.6
261.25668	4.7
285.25717	3.6
287.27496	4.3
315.30362	5.1
397.38287	100.0
398.38693	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	397.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98922	0.8
53.03951	0.9
55.01866	1.0
55.05495	1.9
57.77433	0.8
58.81271	0.7
59.04984	1.3
65.03893	0.9
67.05501	4.8
68.99788	4.1
69.03415	2.3
69.07063	8.7
70.04066	0.8
70.06577	0.7
71.28481	0.7
71.28824	1.7
79.05476	3.6
81.03407	1.7
81.07058	10.2
82.03720	0.9
83.04981	1.1
83.08611	1.5
85.06545	1.2
91.05453	4.5
93.07027	5.3
95.04971	5.3
95.08591	3.8
95.95287	0.7
97.02901	0.8
97.10181	1.0
103.05470	1.8
105.07020	5.4
107.04937	1.9
107.08595	4.0
109.02867	1.2
109.06570	1.3
109.10154	2.0
117.06984	1.1
119.04894	1.0
119.08566	4.5
121.06489	5.8
121.10135	5.4
123.04421	100.0
123.11701	1.3
125.09587	1.1
127.03896	0.9
128.06256	1.3
129.07034	1.0
131.04878	0.7
131.08575	2.8
133.06490	3.4
133.10121	3.2
135.04424	4.6
135.08086	1.4
135.11711	1.2
137.05951	2.5
143.08546	3.2
145.06522	1.2
145.10094	1.8
147.04448	5.3
147.08022	2.1
147.11644	1.7
149.05974	31.5
151.03856	1.1
151.07556	1.2
151.17108	0.8
153.06958	0.7
155.08575	1.0
159.08066	2.0
159.11700	1.6
159.97142	0.6
161.05988	9.7
161.09612	4.0
161.13252	1.3
163.07524	1.4
167.06891	0.9
171.08043	3.6
171.11748	0.8
173.05994	1.4
173.13248	1.7
174.06744	2.7
175.07512	2.5
175.14868	1.0
177.09120	4.6
179.07036	6.4
184.02385	0.7
185.13174	0.7
187.07532	6.3
187.11188	0.8
189.09087	26.8
191.10811	0.8
201.09113	1.8
203.10681	8.3
205.08589	12.1
215.10704	2.0
217.19371	1.2
219.10069	1.1
243.13837	1.2
261.14850	3.9
271.06259	1.1
271.09665	6.1
275.16531	1.5
297.49442	0.7
301.06967	1.0
309.07489	2.8
310.04620	1.6
311.05139	0.9
323.05624	1.1
323.12735	4.9
325.06927	3.9
325.14316	47.3
327.08673	0.9
337.06967	1.0
341.09879	1.5
341.13797	34.2
352.05710	3.7
353.06558	1.2
361.10724	2.3
367.07898	3.9
379.11636	8.7
379.30005	1.2
382.10287	1.6
397.12762	30.3
397.20294	1.3
397.31012	2.5
398.12961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.96553	0.2
65.03922	0.5
66.50598	0.2
69.03424	1.0
70.06593	1.8
70.48130	0.6
72.08148	7.6
81.03378	0.2
84.08123	0.3
85.02881	0.7
86.09715	0.4
89.10240	0.3
89.10783	3.2
91.05472	4.6
91.48829	0.2
94.64400	0.2
97.02853	0.3
98.06032	0.8
98.97578	0.4
110.07130	0.2
112.99075	0.2
115.08668	0.9
116.07050	0.3
116.98613	0.3
119.01897	0.3
119.04933	17.7
121.06543	0.2
127.03873	0.5
131.00143	0.5
137.05975	0.2
143.04823	0.2
145.04977	0.2
147.04396	100.0
148.04764	1.2
149.05942	0.5
163.03925	0.6
165.05482	0.2
173.01193	0.3
176.48419	0.2
177.05428	0.6
185.05829	0.2
191.02298	0.3
203.07112	0.2
218.08200	0.3
218.11723	3.2
227.06921	0.2
230.08115	0.2
235.14401	6.3
237.02844	0.4
245.08034	0.4
260.12851	0.6
272.12714	0.4
273.07657	0.7
277.07825	0.2
289.15378	0.5
291.08624	0.5
307.16534	0.6
309.06213	0.3
309.09589	0.7
313.15643	0.2
323.15625	0.2
337.09366	0.3
343.16287	0.4
344.15131	0.3
355.08951	0.4
361.17654	1.4
369.16553	0.2
379.18561	1.0
380.17087	1.4
397.19781	30.5
398.20316	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90787	0.2
55.01274	0.2
55.05501	0.4
55.77031	0.2
56.05017	0.2
65.03921	0.4
69.03419	0.4
70.06277	0.2
70.06588	2.0
71.62287	0.2
72.08151	7.4
84.08102	0.6
85.02881	0.7
86.09697	0.5
89.10777	1.2
91.05474	4.2
94.14295	0.2
98.06052	1.0
98.09677	0.2
107.04932	0.3
110.02353	0.6
110.07188	0.3
115.08691	1.2
116.07087	0.6
119.04935	14.5
127.03897	0.6
136.07524	0.3
137.05954	0.3
145.84239	0.2
147.04398	100.0
148.04782	1.3
152.07147	0.3
157.09731	0.4
163.03854	1.6
165.05402	0.3
169.09726	0.3
175.07471	0.2
184.44009	0.3
199.07574	0.2
203.31035	0.2
209.09236	0.6
218.08212	0.4
218.11745	4.8
225.12439	0.4
226.63025	0.4
227.10287	0.7
235.14389	6.8
235.64688	0.6
253.11780	0.6
256.15466	0.3
260.12872	0.5
273.07581	0.3
277.19077	0.4
289.15366	0.4
291.08664	0.4
297.10806	0.3
307.16531	0.7
309.06137	0.4
309.09698	1.8
323.15985	0.4
351.15482	0.6
361.17639	1.0
369.16415	0.8
379.18802	0.4
380.17123	2.2
397.15793	7.5
397.19714	19.5
398.15884	0.5
398.20245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19115	0.2
57.03423	0.2
65.03937	0.3
67.15496	0.2
68.72055	0.2
69.03416	1.0
70.06566	0.2
70.85341	0.4
70.85718	0.4
72.08147	7.7
81.03370	0.2
84.08137	0.5
85.02898	0.7
86.09710	0.3
89.10789	3.7
91.05469	4.0
95.68184	0.2
97.02891	0.5
98.06032	0.2
108.71696	0.2
112.07581	0.8
115.08694	0.6
119.04931	15.1
127.03893	0.5
147.04393	100.0
148.04730	1.8
150.09103	0.2
174.86241	0.2
178.12254	0.3
193.13350	0.6
218.11743	3.7
235.14410	8.8
235.18045	0.4
277.19086	2.6
291.08469	0.2
309.09784	0.9
380.17047	1.1
397.19504	38.3
398.19980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1755
Annotation	Kopsamidine A
Peak:m/z	Relative Intensity
55.01860	1.5
55.05504	4.2
65.03946	0.9
69.03426	1.2
70.06576	2.2
71.61317	0.8
72.08150	31.1
73.06569	1.0
74.70457	0.6
79.05472	1.1
81.03403	1.1
82.02924	1.6
84.08134	1.6
85.02866	0.8
91.05463	1.1
97.06539	0.6
98.02406	2.0
98.06045	3.3
100.03957	0.8
103.05448	0.7
105.06994	3.5
107.04954	5.5
109.02864	1.0
110.02393	42.1
111.04448	0.7
114.09125	0.9
115.05415	1.2
115.08682	3.4
117.06967	1.1
119.04926	2.5
120.04502	0.9
121.02856	53.7
127.03942	0.8
131.04936	2.8
133.06480	40.8
134.03625	0.6
134.06830	0.7
135.04370	1.1
145.06468	2.4
147.04361	4.8
151.08667	1.5
152.05843	1.3
152.07057	25.4
154.08621	2.4
159.04422	3.7
161.05977	6.1
163.03825	1.2
169.09740	3.4
173.02412	1.1
173.06007	0.9
173.96870	0.5
177.01862	0.8
177.05457	0.8
181.06523	0.6
187.03906	1.4
188.07051	2.4
195.02924	3.1
199.07527	7.6
203.03343	2.2
204.06451	2.9
207.08011	0.8
209.09615	0.7
211.00403	0.6
215.03331	1.4
215.06975	1.9
216.06543	1.4
217.15790	0.6
219.06284	1.0
219.08113	1.8
221.04439	2.0
223.07690	0.7
226.08633	0.8
227.07043	1.4
235.07544	1.4
237.09094	4.1
238.08658	0.7
239.06999	2.1
247.07538	2.1
250.30608	0.6
252.10352	0.8
253.08595	2.7
258.11188	8.0
259.09448	0.7
262.08633	1.2
263.07034	3.6
265.08441	3.3
266.08133	1.5
267.06500	25.9
268.06995	1.3
273.11276	0.7
275.13968	0.8
280.09680	5.3
281.08063	3.3
282.08307	0.6
286.10657	0.6
292.09717	0.9
295.05954	11.3
296.06433	0.9
307.06073	0.8
309.07565	2.4
310.10651	1.2
316.36008	0.6
320.12769	1.2
321.07504	4.5
323.09198	0.8
325.06851	1.3
326.10257	1.7
333.07559	1.9
334.14310	1.6
338.09973	0.9
347.19608	1.4
349.07068	7.0
361.07080	0.7
379.08102	8.8
379.16379	4.0
379.21582	0.8
380.14899	27.9
381.15353	1.4
397.09091	4.6
397.17545	100.0
398.17670	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	397.1469
Annotation	KADETHRIN
Peak:m/z	Relative Intensity
55.05495	1.3
57.03432	0.6
69.03421	1.6
69.07021	0.9
69.88020	2.9
70.06588	3.7
70.93839	0.5
71.04966	1.0
72.08151	11.9
73.02906	0.6
73.06549	0.6
79.05518	0.6
81.03403	1.1
81.07038	0.7
84.04488	0.9
84.08121	1.6
85.02885	2.1
85.06536	0.8
85.79051	0.4
86.09690	1.6
89.10788	0.9
90.09180	1.1
91.05460	1.4
93.07057	0.4
95.04967	0.9
95.08545	0.6
97.02889	1.1
98.06038	2.2
98.09724	0.7
98.97610	0.5
99.04471	0.8
102.31950	0.4
105.07028	0.5
107.04926	1.3
107.08571	0.6
109.02847	1.2
110.02385	1.5
110.07120	0.8
112.07647	0.6
115.08700	3.1
119.04940	3.6
121.02807	0.5
121.06442	0.5
127.03888	1.9
129.10237	0.9
131.04916	0.6
131.12880	0.6
132.08041	0.4
134.97678	0.4
136.07515	0.5
136.16533	0.4
138.05505	0.5
138.09114	0.5
145.06456	1.4
147.04404	22.3
148.04730	1.1
152.07039	0.7
161.05942	0.9
163.03871	1.0
169.09772	0.7
173.05945	0.6
175.07449	0.7
177.05457	1.0
185.04228	1.6
189.05296	0.7
199.16884	0.9
204.13737	0.6
219.06342	1.2
234.08607	8.8
235.09392	6.3
235.14473	0.6
236.12856	3.6
265.08371	0.6
309.09485	0.6
317.41367	0.5
321.07471	0.5
365.20877	0.6
366.12512	0.6
367.13644	0.5
380.14639	1.0
397.14594	100.0
398.15005	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	397.128
Annotation	Parimycin
Peak:m/z	Relative Intensity
55.01796	0.8
55.05421	1.5
55.05656	0.9
57.07002	0.5
57.23004	0.5
59.88798	0.5
60.82696	0.4
61.62231	0.4
62.05345	0.4
67.05404	1.7
69.03332	1.6
69.06976	1.1
69.37461	4.8
79.05382	1.6
79.20391	0.5
81.03324	1.4
81.06945	3.6
83.04893	0.6
83.08542	1.1
85.02821	0.7
85.06481	1.0
89.03827	1.1
91.05367	1.9
93.06930	2.3
95.04888	0.8
95.08492	2.9
97.02795	0.8
97.06462	0.7
97.10150	0.5
98.21510	1.2
99.04381	1.1
100.11147	0.6
105.03338	0.8
105.06910	2.0
107.08601	2.3
109.02781	1.2
109.06387	1.1
109.10035	2.2
111.07990	0.6
117.03292	1.1
117.06960	1.0
119.04845	0.5
119.08436	1.7
121.02785	0.6
121.06412	0.6
121.10055	1.2
123.04302	2.3
123.11620	0.9
127.03816	1.1
128.06119	0.8
129.06921	0.5
131.08438	1.3
133.06349	0.6
133.09995	1.8
134.03636	4.7
135.04327	0.7
135.07954	0.7
135.11591	1.3
136.45621	0.5
137.05910	1.3
143.08478	0.7
145.06389	1.1
145.10033	1.1
147.04295	1.5
147.11523	1.5
151.03769	0.9
151.07492	1.0
155.08415	0.5
156.05429	0.5
157.06435	0.6
157.09991	0.9
159.04187	0.5
159.07970	0.7
159.11575	1.3
161.13211	0.9
163.07397	0.7
171.04346	1.0
175.14702	0.6
183.02803	0.8
185.05957	1.1
189.05379	2.4
191.03268	1.0
202.06079	0.7
212.04683	0.7
213.05347	2.1
217.10089	1.1
219.07947	1.1
227.06790	0.5
230.05545	0.7
231.06471	0.7
235.07602	0.8
244.08888	0.5
245.09584	1.6
247.07430	1.8
261.09018	1.6
262.09818	1.6
271.05792	0.6
273.09052	2.4
275.06967	1.5
280.07242	0.7
280.64572	0.5
283.05862	0.8
289.08594	3.7
290.09271	2.7
292.07025	0.6
293.07993	1.1
295.05966	0.8
299.05405	0.8
301.08588	2.6
302.09393	0.7
303.06296	0.6
305.11713	0.8
307.09586	1.6
309.07520	1.4
310.04700	6.7
317.08026	1.6
318.08826	6.1
319.09552	0.8
321.07401	2.3
322.04706	1.5
322.08215	1.1
323.05255	0.6
323.08896	0.8
325.03424	0.9
325.07037	11.4
327.08582	1.1
329.07990	2.6
333.11191	8.8
335.08868	0.8
336.09894	1.7
337.06900	2.3
337.10742	2.1
339.08420	1.1
341.06525	1.0
345.07452	2.1
346.08337	14.0
349.06992	1.4
351.08408	0.8
351.12302	1.1
361.10696	35.4
362.10953	1.2
363.08606	1.7
364.09412	15.8
369.13284	1.1
379.11746	100.0
380.12140	3.6
397.12820	73.1
397.31339	2.6
398.13358	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	397.1279
Annotation	Artonin L
Peak:m/z	Relative Intensity
51.68195	0.2
67.05490	0.7
69.07075	0.5
69.87186	1.0
69.87622	0.8
79.05463	0.6
81.07033	0.9
89.00318	0.3
91.05472	0.6
95.08607	0.6
98.20847	0.6
99.43575	0.3
105.07040	0.5
107.04901	0.3
107.08553	0.7
109.06539	0.3
109.10164	0.5
112.82643	0.3
119.08588	0.8
121.10117	0.4
123.04419	0.3
131.08545	0.3
133.02837	0.5
133.10112	0.4
136.84175	0.3
137.05965	0.7
145.06548	0.4
147.04387	0.7
151.03946	1.5
151.04935	0.3
151.07484	0.4
159.11612	0.4
163.03876	0.2
163.07567	0.5
165.05460	0.8
165.76521	0.3
173.06035	0.8
189.05446	0.9
190.06291	0.6
216.04041	0.3
217.04878	0.6
231.06505	0.4
233.04437	0.4
233.08174	0.3
244.07402	0.3
267.06708	0.3
268.07339	0.5
275.07034	0.5
277.08713	0.3
283.05865	0.4
285.11346	0.4
307.05991	0.4
311.09076	0.7
319.09900	0.5
321.07657	0.9
322.08368	0.6
323.05380	0.3
324.06339	1.2
325.07150	0.7
328.05710	0.9
335.05402	0.4
336.06442	0.4
337.07095	0.4
337.10706	1.1
338.04071	0.5
339.04904	0.7
339.08658	2.7
340.05643	0.8
343.08197	1.5
347.09195	0.6
349.06970	1.6
350.07776	0.9
351.08618	0.9
352.05759	16.0
353.06488	2.5
353.10190	0.6
354.07364	0.7
355.07968	1.0
364.09412	2.2
365.10281	1.1
367.08102	34.4
368.08551	0.7
368.12717	0.6
379.11780	1.1
381.09695	0.8
382.10434	7.2
397.12811	100.0
398.13150	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	397.1277
Annotation	Parimycin
Peak:m/z	Relative Intensity
55.01866	0.5
55.05499	0.6
56.81475	0.4
61.10354	0.3
65.03914	0.6
67.05478	1.5
69.03410	1.4
69.07064	1.0
69.44293	3.0
69.44703	0.8
70.31386	0.3
71.04980	0.4
72.08146	1.0
79.05473	1.1
81.03401	0.7
81.07035	1.5
83.04957	0.5
83.08566	0.4
85.02889	0.5
91.05450	1.4
93.07013	1.6
95.04960	0.6
95.08578	1.5
97.02885	0.4
98.21467	0.8
105.07001	1.5
107.08556	0.9
107.97942	0.3
109.10110	0.9
111.04410	0.5
119.04887	0.6
119.08566	1.6
121.02854	0.4
121.10147	0.8
123.04390	2.7
127.03870	0.4
128.06174	0.7
129.06993	1.0
131.08525	1.2
133.02823	0.6
133.10107	0.8
134.03607	0.4
135.04359	1.0
137.02338	2.6
137.05939	0.4
143.08557	0.8
145.06465	0.7
145.10121	1.2
147.04391	1.6
147.08080	0.5
147.11707	0.9
149.02306	0.8
149.05922	0.5
149.09645	0.8
149.13252	0.9
151.03882	1.6
153.06940	0.4
155.08496	0.7
157.10150	0.4
159.07982	0.5
159.11560	0.5
161.02367	0.6
161.13234	0.8
163.03877	0.6
163.14799	0.5
167.08589	0.5
171.04433	0.4
171.08089	0.9
177.05505	0.4
181.06458	0.5
183.07957	0.8
185.05994	0.4
187.07594	0.5
189.09041	0.4
191.03424	0.6
195.08078	0.5
197.05936	0.4
199.07523	0.7
201.09094	1.9
203.03348	1.3
203.07083	1.3
215.06973	0.5
217.04961	0.5
223.07632	0.5
224.08382	0.4
227.07019	3.8
245.08116	2.1
259.11176	0.5
263.06937	0.5
265.08612	0.5
267.06573	0.6
271.06027	0.8
279.06256	0.8
281.07944	0.6
283.06131	0.8
287.10526	0.5
293.07983	0.6
295.06088	0.4
297.07523	1.0
299.05457	1.1
305.11707	0.9
307.06009	1.0
309.07587	3.6
311.05524	0.8
311.09119	1.0
313.07053	2.3
318.08817	0.7
321.07599	1.1
322.07950	0.6
323.05502	0.6
323.09119	1.1
325.07062	12.2
326.07352	0.6
333.07523	0.6
333.11160	1.5
335.05304	0.8
335.09113	1.0
336.06360	0.8
336.09930	0.6
337.07117	5.0
337.10748	0.6
341.06769	0.5
343.09482	0.5
345.07578	0.5
346.08240	0.7
347.09106	1.1
349.07175	3.4
350.07709	2.0
351.08533	1.4
351.12305	1.2
361.10715	8.3
363.08618	4.1
364.09302	3.0
379.11737	100.0
380.12167	4.0
382.10190	0.5
391.31589	0.5
397.12802	81.8
398.13101	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	397.1279
Annotation	8-C-Methylvelloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
53.03926	0.5
55.01878	1.3
55.05484	0.3
57.03418	0.3
65.03942	0.4
67.01860	0.3
67.05475	0.8
67.31049	0.2
68.99784	1.9
69.03410	0.3
69.07048	0.5
69.86405	1.4
71.04959	0.4
72.08128	0.3
79.05471	0.3
81.03409	1.2
81.07038	0.7
81.34390	0.2
83.04951	0.3
91.05460	0.8
93.03399	0.2
93.07031	0.5
95.04963	0.5
95.08586	0.5
97.02866	0.7
97.06496	0.5
98.21512	0.2
99.04443	0.8
102.49828	0.2
105.06997	0.7
107.04939	0.3
107.08556	0.7
109.02835	0.5
109.10175	0.6
110.44653	0.2
111.04456	1.0
111.06455	0.2
115.05439	0.3
117.06999	0.3
119.08609	0.5
121.02826	0.3
121.10073	0.4
121.25101	0.2
121.38474	0.2
123.04414	0.6
124.01553	2.8
127.03900	0.6
128.06206	0.3
131.08545	0.5
133.10100	0.5
134.03619	0.4
137.02339	0.7
137.05975	0.5
139.03885	0.5
141.05434	0.3
143.08534	0.4
145.06480	0.4
145.10083	0.3
147.04430	0.6
147.11667	0.3
149.05960	0.3
151.03946	0.2
152.01021	1.8
152.06197	0.3
153.01804	0.8
153.05428	0.6
153.06947	0.6
155.08533	1.0
157.06506	0.2
157.10149	0.3
160.05176	0.2
161.05972	0.8
165.06987	0.8
167.03384	100.0
168.03717	1.6
168.05621	0.3
170.02095	4.9
171.08066	0.5
173.05975	1.2
175.07542	0.5
177.05476	0.5
177.09116	0.3
179.03386	0.3
181.06511	0.3
183.08058	0.6
185.05992	0.3
186.06808	0.6
187.07541	0.7
189.05531	0.3
189.09111	0.3
191.07036	0.5
193.04971	0.2
195.08083	0.5
199.07591	0.6
200.04736	0.4
201.05453	1.0
201.09071	0.5
211.07515	1.4
211.63176	0.2
213.05501	0.2
213.09105	0.3
214.06276	0.6
215.07008	0.3
219.06422	0.2
227.07057	0.4
229.04985	0.4
229.08632	0.8
237.05486	0.3
239.07053	1.1
243.06451	0.4
254.05846	0.2
257.08047	4.4
267.06442	0.4
269.04486	0.5
271.05923	0.4
277.08560	0.3
279.06537	0.6
281.04382	0.3
282.05167	0.5
283.05899	0.4
286.04642	0.6
291.06516	0.3
293.07983	0.3
295.05991	0.9
296.06760	0.3
297.04245	0.2
297.07532	0.6
298.04803	0.4
299.05490	0.3
300.06366	0.3
301.07077	1.6
303.06509	0.3
307.05951	0.4
308.06656	0.3
309.07495	1.9
309.10834	0.4
310.04715	3.3
310.08133	0.3
311.05383	0.8
312.06201	1.3
313.06842	1.1
318.08936	0.5
319.09659	0.3
320.06824	0.3
321.07611	0.3
322.08310	0.5
323.05463	3.5
323.09213	1.0
324.06308	0.4
325.07059	7.0
325.10617	0.6
326.07428	0.3
327.08676	0.9
331.79477	0.2
332.06387	0.2
333.11273	0.5
335.09167	0.4
336.09879	0.5
337.07065	1.0
337.10605	0.3
338.07800	1.7
339.08621	0.6
340.09689	0.4
341.10315	0.6
349.06934	0.6
350.07526	0.4
351.08395	0.5
351.12311	2.6
353.10114	4.8
361.10684	1.4
364.09305	0.6
368.08804	0.4
369.13461	0.4
379.07498	0.5
379.11838	7.3
380.12146	0.3
397.12836	33.7
397.17493	1.5
397.25500	0.7
398.13358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1279
Annotation	Parimycin
Peak:m/z	Relative Intensity
61.42887	0.3
67.05574	0.7
71.14291	0.8
79.05588	0.7
81.07161	1.0
89.04006	0.5
91.05584	0.7
93.07137	0.8
95.05070	0.5
95.08723	0.7
105.07135	0.5
106.25196	0.3
109.06615	0.5
109.10255	0.5
110.98053	0.4
117.03438	0.9
117.82681	0.4
119.08687	0.6
121.10268	0.5
123.04548	0.4
131.08734	0.5
134.03625	5.7
143.86206	0.4
145.06625	0.4
147.11810	0.4
149.13345	0.4
149.59230	0.4
150.35820	0.4
151.04004	0.6
156.05846	0.4
171.04558	0.5
179.03557	0.4
185.06117	0.9
189.05455	2.3
195.02979	0.5
199.14943	0.4
202.06294	0.5
202.07939	0.8
203.07076	0.4
212.04813	0.7
213.05632	1.6
217.10120	0.9
219.08195	1.1
219.41566	0.4
223.65871	0.4
230.05766	0.7
231.06609	0.7
233.09808	0.5
245.09560	3.0
247.07603	1.8
248.08365	0.7
251.07054	0.4
253.05130	0.5
261.09219	1.6
262.09961	1.3
265.04996	0.3
265.08743	0.8
273.09070	2.2
275.07159	1.5
276.07965	0.6
282.05023	0.4
289.08585	3.2
290.09317	2.7
292.07364	0.8
293.08093	1.2
299.05533	0.8
300.07742	0.6
301.08563	3.0
301.37054	0.4
303.06555	1.1
305.04510	0.4
305.11627	1.2
307.06238	0.6
307.09616	2.1
309.07645	0.6
310.04700	6.9
317.08142	1.5
318.08829	6.0
319.09567	0.8
321.07568	1.3
322.04706	1.8
322.08426	1.4
323.09378	0.5
325.07031	8.4
329.07999	3.4
330.09045	0.7
333.11212	10.2
335.09180	1.1
336.06348	0.7
336.10043	1.5
337.06998	1.8
337.10760	2.1
345.07565	2.8
346.08331	17.3
347.08838	1.1
349.07043	1.3
351.08603	0.8
361.10672	40.3
362.10785	1.8
363.08603	1.4
364.09387	16.5
365.09659	0.6
379.11731	100.0
380.12152	2.9
382.09702	0.5
397.12756	66.8
398.13370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.128
Annotation	Parimycin
Peak:m/z	Relative Intensity
55.05507	0.3
67.05485	0.8
69.03397	0.3
72.08138	0.4
73.57124	0.3
78.04684	0.4
79.05482	0.6
81.03421	0.4
81.07045	0.9
91.05461	0.7
93.07038	0.5
95.04955	0.3
95.08593	0.8
101.90659	0.3
103.05441	1.0
105.07010	0.4
106.04157	0.5
107.08586	0.6
108.21298	0.3
109.10151	0.5
116.38162	0.3
119.04964	0.3
119.08555	0.5
121.10145	0.4
123.04420	0.6
125.01308	0.3
129.06992	0.7
131.04919	1.6
131.08563	0.7
133.02818	0.4
133.10066	0.5
134.03621	1.0
135.08142	0.3
137.05933	0.7
137.09560	0.3
143.08499	0.4
145.06430	0.4
145.10130	0.4
147.04396	0.4
150.03127	0.6
151.03944	0.7
152.04645	0.5
157.06419	0.8
158.07248	0.4
159.04407	5.1
159.08049	0.6
161.06036	0.3
163.03946	0.5
165.05466	1.2
171.04388	0.4
185.06030	0.8
186.06752	0.5
187.07532	4.4
189.05490	1.4
213.05458	17.2
214.05963	0.7
215.06937	0.4
230.33994	0.4
231.06596	1.3
289.08609	1.5
290.09436	0.9
293.08081	0.8
307.06284	0.3
307.09656	0.8
310.04745	1.9
317.08057	0.4
318.08875	1.8
319.09537	0.7
321.07544	1.2
322.04926	0.5
323.08945	0.4
325.07059	2.7
333.11197	0.8
335.09131	0.5
336.09879	1.3
337.06955	0.6
337.10690	0.5
341.06476	0.4
346.08359	9.7
347.08813	0.5
349.06955	1.2
351.08655	0.4
361.10687	10.6
362.10901	0.4
363.08594	1.1
364.09369	11.1
365.09763	0.5
379.11737	100.0
380.12051	3.1
397.12952	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	397.1276
Annotation	Parimycin
Peak:m/z	Relative Intensity
57.91936	0.4
67.05489	0.9
70.99285	1.0
74.35773	0.5
91.05453	0.5
95.04966	0.5
96.33206	0.4
105.03387	0.5
107.04917	0.8
123.04401	1.2
128.06229	0.6
135.04372	1.0
135.83476	0.5
137.02339	2.2
143.08525	0.4
147.04378	0.9
149.02332	0.4
161.02361	0.7
161.13246	0.5
163.03854	0.6
167.08488	0.5
175.03888	0.4
179.03369	0.4
181.06508	0.5
187.03937	0.5
191.03358	0.7
193.04971	0.5
195.07970	0.6
199.07491	0.6
203.03416	1.3
213.05536	0.7
215.06847	0.5
223.07626	0.4
227.07018	1.0
235.07806	0.6
245.08041	0.6
247.07738	0.5
297.07730	0.6
307.06030	0.6
309.07623	2.9
313.07095	0.8
318.08908	0.9
319.09381	0.6
321.07571	0.6
323.05286	0.6
325.07022	25.0
326.07608	1.0
333.11215	0.8
336.06290	0.7
337.07025	5.8
337.10788	1.0
339.08606	0.6
343.09744	0.5
349.06924	3.2
350.07986	2.3
351.08615	2.8
351.12210	0.9
355.08017	0.5
361.10648	13.1
362.11017	0.5
363.08667	2.3
364.09412	3.9
379.11719	46.2
380.11902	1.6
382.10071	0.7
397.12781	100.0
398.13000	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1277
Annotation	Parimycin
Peak:m/z	Relative Intensity
55.01881	0.5
66.09362	0.4
67.05489	0.7
69.03412	1.5
70.15836	0.6
70.16249	1.5
79.05492	1.1
80.43465	0.3
81.07023	0.9
83.79330	0.4
91.05478	0.7
93.07023	0.8
95.04931	0.6
105.07011	0.7
107.04926	1.3
109.06521	1.0
119.04951	0.7
121.06472	0.5
121.10197	0.5
123.04388	1.2
128.06215	0.8
130.32996	0.4
131.08604	0.7
135.04391	2.2
137.02393	0.6
143.08495	1.0
147.04378	2.0
149.05975	0.7
149.09593	4.0
149.81798	0.4
159.04382	0.8
161.02354	2.5
161.05933	0.4
161.09755	0.4
171.08069	1.2
175.03937	0.8
177.09094	1.8
191.03383	6.5
193.04985	0.9
202.06258	0.8
203.03407	4.7
203.06952	1.3
205.04881	0.9
209.04428	2.5
216.04204	0.7
217.04970	1.4
217.08565	0.6
221.04485	0.6
227.06999	3.6
230.05811	0.6
245.08081	18.9
246.08511	0.6
263.09204	1.7
267.06543	0.7
279.06381	0.5
281.11801	0.9
291.10172	1.4
293.08121	0.7
303.06461	0.4
307.06039	2.2
309.11118	1.7
318.08633	0.6
319.05817	0.7
319.09579	0.6
325.07037	5.7
331.05823	0.5
333.11310	0.6
337.07043	2.3
337.10605	0.7
343.09567	1.5
345.07581	0.8
346.08316	1.7
351.08524	0.9
361.10687	9.0
364.09140	0.5
379.11749	32.7
380.12021	1.1
397.12799	100.0
398.13123	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	397.1279
Annotation	3-O-Demethylamorphigenin
Peak:m/z	Relative Intensity
53.03912	0.3
53.07134	0.2
53.61594	0.3
55.01828	1.1
55.05482	0.7
65.03912	0.5
67.05497	1.3
69.03403	0.6
69.07042	0.5
69.43792	1.6
69.44213	1.0
71.04941	0.3
72.80387	0.3
75.17169	0.3
76.36538	0.3
77.83163	0.2
79.05463	0.5
81.07043	1.4
83.04926	0.5
85.06508	0.3
87.24075	0.4
91.05468	1.8
93.03352	0.6
93.06979	0.8
93.49564	0.3
95.04909	0.9
95.08559	0.9
98.21455	0.4
98.81807	0.3
103.05421	0.6
105.03338	0.5
105.06956	0.4
107.04936	2.4
107.08558	0.4
109.10143	0.5
111.04346	0.4
117.06985	0.3
119.01321	0.3
119.04921	2.1
119.08529	0.5
121.02855	5.7
121.82306	0.3
123.03712	0.3
123.04417	3.0
123.11598	0.4
128.06200	0.4
131.04886	1.8
131.08508	0.7
133.02785	0.8
133.10027	0.3
135.04335	1.1
137.02316	0.4
141.01753	0.4
141.06969	0.4
143.08502	0.5
145.02800	0.5
145.06436	0.6
145.10127	0.5
147.04338	1.1
147.11584	0.4
149.02325	0.3
149.05956	0.5
153.06888	0.6
155.08411	0.4
157.06390	0.5
159.04359	0.9
159.07907	0.3
159.11719	0.3
161.02303	0.6
161.05974	0.5
163.03842	1.4
165.05524	0.3
165.06929	0.5
167.03311	0.7
169.06355	0.4
171.08070	0.4
179.03326	0.6
179.08508	0.8
181.04909	0.8
181.06456	0.7
182.07254	0.4
183.08015	0.7
185.05937	0.4
187.03842	0.7
187.07504	0.6
189.05467	0.4
189.09097	0.4
191.01848	0.4
191.03395	3.6
192.95787	0.3
194.07347	0.3
195.07947	0.5
197.05922	0.6
199.07590	1.7
203.03250	0.3
207.08040	0.7
209.04433	2.9
211.07529	1.3
213.05350	0.7
213.09135	0.3
225.05341	0.3
225.09065	0.7
227.06990	0.5
228.04108	0.4
231.08037	0.4
235.07520	0.5
239.07028	1.3
243.06499	0.8
244.08716	0.7
247.07599	0.5
253.08545	0.6
255.06316	0.6
259.10962	0.4
262.09732	0.4
263.07022	0.9
265.08554	0.3
267.06387	0.6
272.08395	0.3
276.07782	0.3
277.12042	0.4
280.07336	0.4
281.08047	4.1
283.05969	2.5
287.10504	0.8
289.08661	0.7
290.09384	0.7
291.06473	0.5
291.09821	0.4
292.07571	0.3
293.08063	0.9
295.05887	0.9
296.06717	0.9
297.07635	1.2
299.05505	0.4
300.07745	0.6
305.08319	0.5
305.11691	0.9
307.05969	1.2
309.07523	100.0
310.07962	3.1
311.05478	0.5
315.09985	0.8
317.08163	0.6
318.08865	1.7
319.09534	1.4
321.07513	1.0
323.05542	0.4
323.09164	0.9
325.07019	4.0
325.14349	0.9
326.07001	0.4
327.08597	17.0
328.09085	0.5
333.07504	0.4
333.11111	5.2
334.08392	1.0
335.09085	0.7
336.06323	0.5
337.06961	0.7
337.10751	0.9
343.09613	3.7
345.07465	0.6
346.08450	2.4
349.06876	0.5
351.08517	0.8
351.12274	5.9
352.12625	0.4
361.10645	24.1
362.11002	0.9
363.08740	0.4
364.09424	0.7
369.13254	4.9
379.11719	38.1
380.12112	1.5
397.12787	86.3
398.13171	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	397.1279
Annotation	Artonin L
Peak:m/z	Relative Intensity
55.01864	0.3
55.05502	0.4
65.56187	0.3
67.05486	0.7
68.32430	0.3
69.07060	0.3
72.08138	0.7
79.05489	0.5
81.07047	1.0
85.02905	0.3
91.05459	0.8
92.45181	0.3
93.07027	0.5
95.04925	0.4
95.08597	0.7
97.02904	0.4
105.07011	0.8
107.04942	0.4
107.08601	0.6
109.10144	0.5
119.04942	0.3
119.08580	0.3
121.02889	0.4
121.06500	0.6
121.10174	0.4
123.11700	0.3
128.06242	0.4
133.10109	0.6
137.06003	0.6
139.92613	0.3
143.08447	0.2
147.04427	0.5
147.11687	0.4
149.05998	0.7
151.03871	0.4
151.07492	0.3
159.07899	0.3
161.05936	0.3
171.04190	0.3
173.05919	0.3
175.03908	0.3
175.07469	0.2
187.03888	0.4
189.05354	0.3
191.03716	0.3
195.02904	0.3
201.05446	0.3
215.03418	0.4
217.04997	1.4
217.92166	0.3
218.58597	0.2
229.04973	1.1
231.06505	1.9
235.06010	0.9
235.45811	0.3
239.06798	0.4
247.06026	0.3
249.07538	0.5
251.06924	0.3
255.06529	0.5
266.05649	0.3
267.06412	0.4
267.14926	0.3
277.08627	0.3
278.09811	0.2
279.06790	0.3
279.10095	0.5
283.06046	1.7
291.06512	0.4
293.04700	0.4
293.08093	0.6
294.05240	0.6
295.06244	0.6
295.09622	3.1
296.06677	0.4
305.08099	0.8
306.08835	2.4
307.09692	0.7
309.07526	1.0
311.05533	3.2
311.08893	0.5
317.17929	0.3
319.09726	0.3
321.07574	0.7
322.08463	0.4
323.05701	0.3
323.09091	6.6
323.12869	0.5
324.06274	2.4
325.07114	1.4
325.10672	0.4
326.11346	0.3
333.07480	1.8
334.08374	5.5
334.78159	0.3
335.08939	1.2
336.09720	0.5
337.07144	0.5
337.10706	1.6
339.08609	5.0
347.09384	0.4
349.06940	1.4
349.10690	0.9
350.07791	0.4
351.08591	17.7
351.11945	0.8
352.09241	0.9
353.10275	0.8
361.10641	0.5
362.08109	1.3
363.08502	0.3
364.09485	2.8
365.10168	2.8
366.10999	0.6
367.08188	0.4
369.13278	0.5
377.10196	0.5
379.11728	10.4
380.08771	4.8
380.12930	0.4
381.09555	0.9
382.10394	6.6
395.11215	7.9
397.12802	100.0
398.13202	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.128
Annotation	3-O-Demethylamorphigenin
Peak:m/z	Relative Intensity
55.05490	1.6
56.31512	0.7
58.53434	0.8
61.66784	0.7
66.49339	0.7
67.05504	3.9
69.03382	1.2
69.07030	2.9
72.08115	1.7
79.05466	2.3
81.03393	1.7
81.07053	4.2
83.08603	1.1
85.02856	0.8
91.05450	2.7
93.07011	3.4
95.04940	0.9
95.08633	4.8
97.10126	0.7
105.03386	1.2
105.07047	3.8
105.07583	0.7
107.08558	2.9
109.02866	1.3
109.10122	2.8
117.03338	1.2
119.08545	2.6
121.02859	0.9
121.06459	0.7
121.10094	2.5
123.04379	2.6
123.08033	0.9
123.11697	1.6
123.16858	0.7
125.09546	0.9
125.20669	0.7
127.03875	0.7
128.06075	0.7
131.08482	1.4
133.02817	0.9
133.10129	1.8
134.03590	5.7
135.11671	1.8
137.05942	2.3
137.09386	0.8
145.10074	1.0
147.04340	2.1
147.11609	1.7
149.02310	2.1
149.05952	1.7
149.13239	1.6
151.03865	1.2
151.07504	1.1
159.08038	0.9
159.11674	1.0
161.09602	1.0
161.13177	2.2
163.03860	1.1
163.14851	0.9
171.11804	1.0
173.13322	1.0
174.06750	1.7
175.07480	1.0
181.06485	1.1
183.11429	0.9
191.03349	1.1
191.17915	1.0
198.06740	1.2
199.07527	1.4
201.05432	0.9
203.17934	1.1
209.06012	1.3
215.03337	1.2
226.06187	2.2
227.06947	2.9
229.04808	1.1
230.05719	2.1
231.06503	1.2
237.05466	2.0
238.06163	0.8
243.06593	0.9
254.05630	1.4
255.06619	0.8
265.04944	1.0
265.08496	1.7
269.04395	1.2
269.08084	0.8
275.07071	1.0
276.07950	0.8
277.08441	1.5
279.10162	1.3
280.10809	0.8
281.04495	1.8
282.05209	20.5
283.05966	1.6
284.06741	2.3
289.08490	1.1
291.10092	1.2
293.08054	2.6
297.04309	0.8
297.07547	23.3
298.07736	1.1
304.06912	0.9
305.08023	1.2
307.09656	3.3
308.10345	1.0
309.07529	1.5
310.04773	0.9
311.05289	1.8
312.06244	23.8
313.06775	0.9
314.07788	1.2
317.08096	2.1
321.07562	2.9
323.12524	0.8
325.06982	3.6
327.08615	100.0
328.08878	3.1
335.09021	4.9
336.09686	4.5
337.10583	1.1
339.08682	1.5
346.08359	2.7
347.09116	0.9
349.07095	2.7
351.12338	6.2
361.10547	2.3
363.08542	2.1
364.09393	29.2
365.09772	1.5
369.13309	18.8
379.11746	92.2
380.12109	3.7
397.12793	64.3
397.30807	1.8
397.35458	1.6
398.13092	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	396.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.2
53.87825	0.7
55.01861	1.1
55.05501	8.4
56.05039	0.8
56.64890	0.7
56.96555	1.8
57.03421	2.3
58.06595	4.6
59.04984	1.8
61.02927	1.3
65.03900	0.9
67.05489	1.6
68.04991	1.1
69.03424	11.2
70.06592	9.0
70.85399	2.3
71.01321	0.9
71.04981	5.1
72.08142	6.7
73.02905	3.5
81.03407	3.8
83.04959	6.2
83.06064	0.8
84.04490	1.0
84.08134	55.8
85.02893	20.2
85.06543	2.4
85.08446	1.0
86.06062	6.9
86.09705	2.9
86.27461	0.7
87.04459	12.5
89.06020	0.9
89.10786	1.1
91.05457	1.0
96.08140	1.0
97.02882	6.8
98.06043	34.4
98.09667	1.7
98.97579	2.0
100.11219	1.7
101.02354	1.1
101.05997	22.6
102.05527	0.9
109.02869	3.3
111.04440	1.0
111.05527	1.8
112.07626	1.4
114.09118	1.3
115.08656	0.8
116.07085	3.8
116.98588	1.1
117.05501	0.8
119.04903	2.5
127.03874	6.4
128.08188	1.9
128.10703	31.5
132.10216	0.9
134.99661	1.0
136.06233	1.3
138.05478	3.0
140.07050	11.9
145.04935	2.3
146.09241	2.3
146.11745	21.2
147.04399	11.5
156.38599	0.7
158.08110	3.5
159.06406	0.7
166.07333	0.8
167.07521	0.9
176.09148	5.9
188.10202	0.9
188.12758	2.3
204.17641	0.8
218.11842	3.7
230.13948	2.2
233.12949	2.8
234.13141	6.3
235.14409	5.6
235.64676	0.9
237.02882	1.3
248.14876	1.3
272.14877	3.5
275.13834	1.2
290.13556	1.3
290.15976	24.6
302.12323	2.2
313.21420	0.8
320.13364	12.3
355.09058	0.9
378.17188	0.9
396.22739	100.0
397.22552	4.7
415.13495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.9
57.07066	26.9
67.05505	29.9
68.05045	5.0
69.07066	39.0
71.08618	21.3
71.19765	4.5
71.61656	9.8
79.05484	17.0
81.07054	81.0
83.08604	20.3
85.10170	9.8
91.05466	31.4
93.07053	27.0
95.08613	52.7
97.07663	7.1
97.10171	20.7
104.56206	4.5
105.07034	40.3
107.08578	24.4
109.10143	27.2
111.11732	14.9
117.07003	20.8
119.08543	17.2
121.10158	11.7
123.11703	14.8
131.08546	22.2
133.10129	36.5
135.11690	12.8
143.08562	9.6
145.10098	77.9
146.10501	5.5
147.11693	37.1
149.13286	7.4
157.10054	10.2
159.11664	58.2
161.13240	10.5
163.14787	7.1
173.13268	22.0
185.13139	6.9
199.14789	7.7
213.16316	9.5
247.24084	6.5
277.73700	7.2
279.03775	5.1
279.88895	4.8
327.08127	5.4
395.36713	100.0
396.37210	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	395.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.7
55.01867	6.9
55.05509	14.8
57.03426	3.7
57.07076	14.8
67.05500	7.0
67.32331	2.7
69.07059	33.3
71.08637	12.3
71.62314	3.3
74.27933	2.1
77.84536	2.3
79.05497	4.1
81.03420	11.6
81.07066	13.7
83.08603	20.1
85.10171	4.7
91.05481	3.8
93.07039	7.0
95.08588	17.2
97.10160	15.3
97.31586	2.4
97.42269	2.4
99.02498	2.4
105.06998	5.4
107.08578	6.9
109.02872	10.4
109.06616	3.5
109.10157	10.0
111.11709	8.6
115.03934	3.2
119.08574	4.0
121.10120	4.3
123.04396	3.5
123.08091	4.1
123.11710	7.5
125.13243	3.4
127.03909	100.0
133.10097	3.7
135.11664	4.4
139.14909	3.4
141.05490	4.2
145.10033	4.0
147.11617	2.8
157.10240	3.1
163.11142	4.0
169.08632	10.6
172.12276	2.5
183.10138	12.8
195.10168	4.3
197.11829	3.7
209.11725	3.7
223.13234	4.9
225.14871	3.9
239.16475	6.6
251.16347	5.0
253.17987	7.2
265.17957	7.4
267.19513	4.2
279.19577	7.4
293.21024	3.0
307.22760	5.1
377.30475	66.4
378.30875	4.4
395.11267	3.7
395.33316	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	395.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73359	0.3
55.01836	0.5
55.05468	0.6
56.05025	0.3
56.96533	0.6
57.03424	0.3
58.06592	2.0
59.04952	0.3
60.04501	0.4
67.05471	0.4
69.03423	1.6
69.07041	0.5
69.97188	0.8
69.97604	0.7
70.06587	2.7
71.04947	0.6
72.08144	3.8
73.02855	0.3
73.42057	0.2
79.05463	0.6
81.03422	0.5
81.06998	0.5
82.06493	0.4
83.04906	0.5
84.04449	0.3
84.08145	1.8
85.02898	2.2
86.06019	1.1
86.09667	0.8
87.04441	0.4
88.03935	0.8
89.10747	0.8
89.52907	0.3
90.05513	1.1
91.05473	2.3
92.05791	0.4
93.06990	0.8
94.06540	0.4
95.08546	0.5
96.08070	1.2
97.02835	1.1
97.06483	0.4
97.46636	0.2
98.05994	0.7
98.09685	12.0
98.20749	0.3
98.97555	0.4
101.05950	0.3
101.07106	0.4
105.06971	0.4
107.04894	0.5
108.08080	0.3
109.02830	0.9
109.06486	0.5
110.02372	0.4
110.09624	1.1
111.04481	0.4
112.07571	0.5
115.05411	0.3
116.03418	0.3
117.06982	0.4
119.04926	1.3
120.05197	0.3
120.08054	1.0
121.02887	0.4
121.06477	0.6
122.09618	0.4
124.07561	0.3
124.11237	0.3
126.11391	0.3
127.03912	1.4
131.04883	0.7
133.06432	0.5
134.05949	0.3
134.09613	1.1
134.99612	0.3
136.07504	0.6
136.11176	0.6
137.05936	0.6
138.09010	0.3
140.10631	0.6
145.04883	0.5
145.06454	0.3
145.09760	0.4
147.04396	8.0
147.89772	0.3
148.04733	3.1
148.07539	0.3
149.05983	0.3
150.09094	0.3
152.06996	0.3
152.10666	0.7
161.05959	0.8
162.09044	0.3
166.08675	0.3
167.07008	0.6
170.11748	5.6
173.02269	0.4
174.12631	0.4
176.10710	0.3
182.11713	0.8
191.06990	0.7
194.11755	0.7
198.11191	0.7
202.12172	0.4
206.08173	0.3
206.11742	0.4
208.09731	0.6
212.12727	0.5
217.04895	0.3
219.18581	0.5
223.59187	0.3
224.12790	4.1
225.13351	0.3
230.13867	0.4
231.06050	0.4
232.07193	0.3
232.13295	0.4
233.07997	0.3
233.12941	0.5
233.20174	1.9
234.07599	0.5
234.13391	1.2
235.14343	0.3
240.12195	0.6
242.13850	20.4
258.13361	0.6
260.14911	34.8
261.09818	1.1
261.15433	1.0
275.10138	0.5
275.13699	0.5
277.19034	0.3
303.20486	0.4
305.22217	2.5
306.22629	0.3
350.16125	0.3
377.20377	0.3
377.24606	1.4
384.42618	0.3
393.23941	0.5
395.25424	100.0
396.16183	0.3
396.25754	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.254
Annotation	3-(hexadecyloxy)-2-oxopropyl dihydrogen phosphate
Peak:m/z	Relative Intensity
50.39274	0.1
52.66376	0.2
53.34180	0.2
55.05503	0.4
56.05017	0.2
56.96563	0.2
57.03434	0.2
58.06580	0.4
59.84169	0.1
67.05496	0.2
69.03409	0.5
69.07046	0.3
69.31484	1.8
70.02951	0.2
70.06586	1.4
71.04983	0.2
72.08150	2.3
73.02905	0.2
80.04994	0.2
81.03426	0.4
81.07010	0.2
82.06561	0.5
83.04981	0.3
84.04476	0.2
84.08140	1.8
85.02891	1.4
86.09685	0.6
88.03941	0.2
89.10773	0.2
91.05460	0.9
93.07024	0.2
94.06572	0.2
95.04955	0.4
96.08122	0.4
97.02873	0.8
98.06048	0.3
98.09687	7.4
98.10330	0.4
98.21507	0.3
98.97587	0.3
101.06007	0.2
102.05573	0.3
102.06235	0.2
107.04954	0.4
109.02865	0.3
110.02403	0.4
110.09641	0.2
114.10310	0.2
116.98684	0.2
119.04932	1.0
120.05277	0.2
120.08101	0.3
122.06013	0.2
122.09666	0.3
124.07552	0.2
127.03902	0.6
128.10712	0.2
131.04921	0.2
131.08565	0.2
133.06482	0.2
134.09674	0.8
136.07617	0.3
136.11205	2.2
137.05995	0.3
140.10719	0.2
145.06444	0.3
146.05974	0.3
147.04399	4.5
148.04681	0.8
149.06003	0.2
150.12752	0.2
154.08606	0.2
162.09203	0.2
163.03922	0.2
167.07053	0.6
168.10225	0.3
170.11739	1.8
173.06030	0.2
175.07510	0.2
176.10657	0.3
177.05531	0.2
180.10316	0.2
182.11798	0.3
188.06992	0.2
191.06987	0.3
194.11798	0.4
200.10712	0.6
204.10191	0.7
206.11682	0.4
209.07980	0.2
212.12872	0.2
218.11807	0.3
222.11256	0.7
224.12825	1.3
230.13760	0.2
231.18391	0.3
232.07108	0.3
233.07866	0.2
233.20102	1.2
235.14487	0.2
240.12262	2.5
242.13860	4.7
243.14684	0.2
258.13321	1.3
260.14929	4.1
263.21027	0.2
271.10727	0.3
275.10278	3.5
303.20560	0.8
305.22217	6.4
331.13025	0.2
333.15213	0.2
345.21680	0.5
357.21753	0.7
359.23196	0.2
373.04639	0.2
375.22589	0.4
377.17072	0.2
377.24399	0.5
393.10501	0.2
393.23843	5.3
394.23859	0.4
395.25400	100.0
396.12637	0.2
396.25720	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	395.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.0
55.05503	10.4
57.07064	2.4
58.85848	1.5
65.03944	2.9
67.05499	81.4
67.27212	1.8
68.05842	2.1
69.07057	8.9
71.61778	2.7
73.02908	12.3
75.02374	1.7
79.05479	20.0
81.07050	100.0
82.59876	1.8
83.08618	5.0
85.06541	2.9
87.04476	3.4
91.05473	7.7
93.07024	25.9
95.04979	2.9
95.08598	81.2
97.06539	3.7
97.10180	3.3
100.93224	1.8
101.02376	28.6
101.06023	2.5
103.63924	1.6
105.07047	6.8
107.08577	13.7
109.10149	37.1
111.08073	3.0
111.11703	2.0
115.03954	2.7
117.07046	2.6
119.08582	8.3
121.10139	12.8
121.24605	1.7
123.11705	27.3
133.10132	10.4
135.11674	9.5
137.13286	9.3
145.10077	3.7
147.11699	6.0
149.13304	8.2
151.14810	3.5
159.11678	4.2
161.13260	5.3
163.14891	3.3
171.11798	2.1
173.13342	2.0
175.14830	5.7
177.12747	2.3
177.16522	2.2
193.15886	2.0
231.21036	14.6
239.16296	3.2
241.19505	3.5
249.22127	31.0
259.20523	4.5
277.21710	5.0
291.18903	1.8
295.22690	30.8
296.56110	1.7
307.03033	1.8
331.22803	2.2
339.08670	5.2
359.21686	2.1
377.23257	8.1
395.11057	3.8
395.24387	30.1
395.29074	4.3
395.33328	2.9
396.24811	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	395.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01007	0.3
55.01867	0.4
55.05501	0.4
56.05013	0.4
58.06599	1.7
60.05632	0.5
61.02915	0.4
66.99943	0.3
69.03423	1.3
69.07070	0.4
69.30895	0.3
70.06584	0.9
70.87714	0.8
70.88059	0.6
71.05032	0.4
72.08157	3.5
80.04996	0.6
81.03420	0.6
82.06589	0.3
83.04955	0.5
84.08128	0.8
85.02893	0.5
86.09695	0.8
93.07032	0.5
94.06563	3.7
95.04958	0.9
96.08128	0.4
98.06060	1.4
98.09663	0.6
99.04445	0.9
105.07069	0.4
107.04947	0.5
108.08109	0.6
110.02416	0.6
110.06033	0.8
111.04399	0.5
114.10274	0.8
115.08684	0.4
118.06534	0.4
120.08113	0.5
122.06027	1.7
122.09671	1.1
127.03902	0.4
130.06549	0.5
131.12920	1.3
134.09659	0.8
146.06004	2.9
147.04427	1.9
148.04742	0.6
148.07568	1.4
149.08438	0.8
154.86276	0.3
156.08037	0.4
157.08868	1.2
157.10866	1.2
160.07588	0.9
162.09064	0.7
170.09685	0.6
172.07648	0.4
172.11189	7.8
174.09128	0.8
178.10828	0.3
184.36966	0.4
186.09045	0.4
188.10732	0.5
198.09154	2.0
200.10686	43.4
201.11070	0.8
202.12247	1.9
203.07077	0.4
212.10727	0.9
214.12296	1.1
218.11890	0.5
228.12656	0.8
229.13371	0.6
231.14880	6.6
243.14911	17.4
257.16461	1.5
269.03754	0.4
271.10861	0.5
273.15948	2.4
288.38098	0.4
299.17554	1.2
323.17566	0.8
377.13541	0.7
377.20718	14.3
378.86090	0.4
395.21774	100.0
396.22244	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	395.1964
Annotation	Brucine
Peak:m/z	Relative Intensity
53.00288	0.3
55.01859	1.1
55.05508	0.3
58.40250	0.2
67.05511	0.4
69.03436	0.3
69.07065	14.5
69.81543	1.6
70.06577	0.5
72.08150	1.4
77.47684	0.2
80.01381	1.5
81.07062	0.7
82.02938	5.1
84.08143	1.1
86.09204	0.4
86.09702	7.0
91.05487	1.8
93.07045	0.3
95.04954	0.4
95.08601	0.5
97.02888	0.3
98.02413	7.0
98.06049	0.3
103.12325	0.5
107.04962	2.6
107.24350	0.2
109.10160	0.4
110.02396	100.0
111.02726	0.8
112.07598	0.3
117.07006	0.4
118.30523	0.2
119.04950	4.4
120.08123	0.3
121.10150	0.3
124.03954	4.6
125.09543	0.2
133.06483	0.3
145.06453	2.5
147.04405	14.9
148.04739	0.8
157.06432	0.2
163.03847	0.2
166.08632	22.8
167.08974	0.3
171.04350	0.4
177.05286	0.3
183.11282	32.4
188.07074	0.5
191.06900	0.3
191.08527	0.3
203.06996	0.4
211.07393	0.3
212.08359	0.3
213.09105	1.7
219.08098	0.4
223.07442	0.4
237.09088	0.8
239.10748	0.4
249.15964	4.3
265.08505	0.5
267.16684	0.5
293.08041	0.3
310.10767	0.3
378.17258	1.2
395.19620	63.3
396.20081	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	395.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05503	1.1
56.96555	1.4
57.03434	0.9
57.03705	0.3
61.02909	1.3
69.03430	2.6
69.07052	1.4
70.06580	3.8
71.04994	0.5
71.61805	0.4
71.62231	0.6
72.08150	12.9
73.02891	0.8
73.08466	0.6
81.03439	0.9
81.07047	0.4
84.04486	0.6
84.08134	2.0
85.02897	5.8
86.06045	0.8
86.09692	1.7
87.04452	0.6
89.10802	2.2
91.03977	0.6
91.05473	1.9
93.07035	0.9
95.04961	0.6
95.08574	0.7
96.08167	0.5
97.02872	2.0
98.06016	1.3
98.09700	1.1
98.97565	1.8
99.04429	0.5
100.07590	0.5
107.04918	0.8
108.08103	1.3
109.02876	0.7
110.07159	0.6
110.09663	0.4
113.06020	0.7
114.05518	1.2
115.08668	0.7
116.98573	2.0
117.37160	0.4
119.04933	3.7
120.05249	0.5
124.03950	3.0
127.03928	1.8
128.07112	0.4
128.10709	0.7
128.98581	0.4
129.10188	0.7
130.06543	0.4
133.06126	0.4
134.09669	0.4
134.99644	0.9
136.07547	1.7
137.05951	0.7
141.05447	1.8
145.04913	0.9
146.99663	0.8
147.04393	23.6
148.04765	2.2
149.04631	0.8
155.03358	0.4
155.04605	0.4
158.08109	1.3
158.99571	0.4
159.06505	1.1
160.11188	0.4
161.04726	0.7
162.05429	0.5
163.03870	0.7
164.07034	1.1
166.07228	7.7
166.08525	0.7
174.05553	0.9
177.00728	1.1
177.04266	0.4
178.43292	0.4
182.08218	0.4
188.07053	1.1
188.10686	1.7
189.04044	0.5
190.08656	2.8
190.98550	0.4
191.03395	0.9
198.08479	0.5
201.07759	0.4
204.10132	0.7
216.10213	6.1
218.11720	4.5
218.91980	0.4
219.01645	0.8
219.12074	1.0
226.63055	1.6
227.13106	0.5
233.12827	100.0
234.13110	2.9
235.14383	8.0
235.64537	0.9
237.02856	0.9
242.04430	0.4
242.15140	0.7
249.12547	0.4
249.15981	2.0
263.13855	0.6
265.06769	0.4
279.03873	0.5
279.06528	0.5
309.08710	0.9
322.06921	0.4
323.14352	0.5
335.10037	0.6
336.05795	0.4
377.16846	0.6
377.20987	0.6
378.12775	0.6
395.13535	1.6
395.17340	3.8
395.22400	5.0
395.25839	0.7
396.22351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01872	0.8
55.05504	2.4
56.96552	0.9
57.03431	0.9
62.74708	0.5
67.05484	1.9
69.03412	1.1
69.07059	2.5
70.06590	4.0
70.74136	1.3
70.74485	1.0
71.04972	0.9
72.08150	33.3
79.05489	4.0
81.03414	1.2
81.07053	4.0
83.04982	0.7
84.08138	1.2
84.96028	1.2
85.02903	1.4
85.06526	2.4
86.06033	0.7
86.09715	0.6
91.05483	2.5
93.07035	2.5
95.04971	3.6
95.05465	0.6
95.08612	2.3
97.06501	1.6
98.06037	1.7
98.97588	3.1
99.08086	0.9
105.07021	2.1
107.04947	100.0
107.08580	1.8
108.05289	2.4
109.02847	0.5
109.10148	2.3
110.02406	1.2
110.97562	0.7
111.04424	0.6
111.08069	0.7
116.98619	2.6
119.04914	1.1
119.08569	1.3
121.02881	2.6
121.06528	0.8
121.10127	1.3
123.04405	5.6
123.11665	1.4
124.07599	0.6
125.09585	0.6
127.03905	1.0
127.87772	0.6
128.98613	1.1
131.04872	3.2
131.08545	0.5
133.10194	0.7
134.06024	1.4
134.99675	1.2
135.11674	1.0
137.05920	0.6
139.11206	0.8
145.06546	0.8
146.06010	0.8
146.99634	1.1
147.04407	4.7
153.12700	0.6
159.04379	3.8
159.11728	0.8
161.06001	1.6
161.13138	0.9
162.87863	0.6
163.03891	0.7
165.12712	0.9
171.04340	4.8
175.03963	0.8
177.00751	1.3
177.05466	0.7
179.08574	1.1
181.06583	0.8
184.03938	1.4
186.05424	1.0
187.03894	7.2
189.06929	0.8
191.07094	0.9
193.05153	0.7
195.08009	1.5
203.03374	2.2
205.06512	3.1
207.08060	10.0
214.04971	11.2
215.05215	0.7
219.01788	1.6
223.07477	4.3
225.04498	0.7
226.04878	1.1
230.04572	2.5
233.06042	4.0
233.08115	1.0
234.09160	0.7
235.07520	6.0
237.02876	3.9
242.04469	2.5
247.07550	1.7
251.07018	14.4
252.07619	1.9
253.08546	3.1
261.05423	2.0
262.06119	0.8
262.08664	2.1
263.07013	3.2
265.08630	0.9
275.07257	0.6
275.10184	0.6
278.08109	2.1
279.06497	18.3
280.09735	1.3
281.08176	1.1
284.09363	0.8
289.10648	1.4
290.08115	3.4
291.06277	1.2
305.24884	1.1
306.07446	1.3
307.05984	10.6
308.06046	1.0
308.09201	2.2
309.06485	2.8
318.07697	4.1
323.25772	1.3
324.08597	2.9
327.07440	10.3
336.08649	10.9
360.12274	1.4
369.08618	1.0
378.13327	67.4
379.13666	4.7
395.07474	4.1
395.15979	90.7
396.16455	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	395.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32574	0.4
70.06582	0.8
70.74761	1.0
72.08125	1.5
74.77466	0.4
84.08138	0.6
85.02898	0.6
86.06026	0.5
87.62084	0.3
91.05466	1.0
97.95807	0.3
98.09669	0.8
105.07058	0.4
119.04944	1.9
120.05253	1.2
145.02818	1.0
147.04411	9.1
148.04744	7.1
153.19717	0.3
161.06007	1.0
177.05469	1.1
185.04250	3.2
197.28792	0.5
217.04707	1.1
232.07059	9.5
233.07835	7.1
242.13905	1.5
260.14883	2.1
263.27307	0.4
315.09430	0.4
319.39563	0.4
324.78894	0.4
364.11340	1.2
365.11841	0.6
395.13107	100.0
395.25006	7.1
396.13422	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02340	0.5
55.01867	0.6
55.05490	0.8
56.91699	0.5
58.14307	0.4
60.06100	0.4
69.03413	1.6
69.07053	1.7
70.06583	2.1
71.04975	1.1
71.61874	0.7
72.08160	3.6
73.65907	0.6
81.03411	1.1
81.07052	1.0
82.02938	0.5
83.04955	0.5
84.04520	0.5
84.08143	1.8
85.02898	2.0
85.06522	0.6
86.09697	4.2
91.05455	1.4
93.07050	0.6
95.08615	0.6
96.41924	0.4
96.72535	0.5
97.02879	2.0
98.09689	1.2
99.04440	0.7
105.07034	0.9
107.04967	0.5
109.02879	1.2
110.02399	6.2
117.07009	0.7
119.04941	1.8
120.08096	1.0
124.07601	0.6
125.02345	3.4
127.03918	1.4
137.09677	0.5
147.04391	7.1
148.04726	1.0
152.07077	1.3
161.05927	0.6
163.03923	0.6
166.08650	1.4
169.09720	1.1
183.11250	3.0
185.04167	2.6
198.08771	0.6
206.09377	0.7
217.04695	0.5
219.06200	0.5
232.07062	5.9
233.07802	7.4
240.07332	0.5
242.13948	1.9
244.09837	1.0
252.09798	0.7
260.14828	2.3
271.07291	0.5
292.16055	0.5
341.17908	0.6
349.41382	0.5
364.11292	0.7
369.24243	0.7
393.11810	0.5
395.13113	100.0
395.19150	6.0
395.25369	6.2
396.13519	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	395.1122
Annotation	Robustin
Peak:m/z	Relative Intensity
50.56104	0.6
52.49576	0.5
55.05490	0.8
67.05480	1.7
69.07027	1.0
70.04126	1.7
70.04551	1.6
79.05484	0.9
81.07053	1.6
84.47820	0.6
89.03871	0.6
91.05452	1.0
93.07017	1.8
94.27647	0.6
95.08582	1.7
97.06492	0.7
98.20827	1.0
100.38805	0.5
105.06988	1.2
107.08557	1.4
109.10105	0.9
119.08587	0.8
123.04392	2.5
133.10060	0.8
134.03598	2.5
135.11650	1.0
143.08524	0.8
145.10045	0.8
149.05975	1.0
151.03870	0.7
185.05632	0.8
191.03189	0.7
196.82956	0.9
229.04938	0.9
253.04861	0.8
265.61911	0.7
267.06354	0.9
295.06003	0.6
298.04648	1.3
305.08008	0.6
307.09497	0.7
309.03833	1.0
309.07513	0.7
310.04623	2.1
313.07016	0.7
323.05447	1.3
324.02509	3.3
324.06146	6.2
325.06876	1.8
326.04163	11.7
327.04208	1.0
334.08337	0.9
337.06839	2.0
338.04037	3.0
338.07687	0.7
339.04730	4.3
339.08521	14.0
340.05551	0.7
341.06525	27.0
342.03372	1.4
342.06842	1.7
351.04672	0.9
351.08527	1.2
352.08966	0.8
353.06406	5.1
353.10153	0.8
357.05963	1.1
361.06580	0.8
362.07736	2.7
365.06464	2.1
367.07858	1.1
377.10025	3.7
380.08820	10.5
395.11063	100.0
396.11386	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	395.1122
Annotation	F-9775B
Peak:m/z	Relative Intensity
54.15795	0.2
55.05524	0.3
61.99361	0.3
67.05524	0.4
69.07099	0.4
69.61790	0.2
79.05560	0.4
81.03448	0.2
81.07126	0.9
81.45374	0.2
83.05035	0.3
85.06614	0.3
91.02661	0.2
91.05486	0.3
93.07084	0.5
95.05013	0.3
95.08650	0.5
97.02925	0.3
98.21529	0.5
105.07116	0.6
107.08666	0.5
109.02917	0.2
109.06571	0.5
109.10162	0.3
110.18313	0.2
119.04985	0.4
119.08660	0.4
119.83746	0.3
121.06607	0.4
121.10127	0.3
127.04002	0.5
131.08649	0.3
133.10176	0.4
135.11786	0.3
145.10182	0.6
147.04485	0.8
147.11752	0.4
148.04909	0.4
157.10197	0.3
161.06033	0.3
163.11258	0.3
173.09644	0.3
187.04022	0.3
188.07161	0.3
191.10780	0.3
196.52742	0.2
201.05571	0.5
203.03569	0.3
208.17068	0.5
213.05547	0.7
215.03500	0.9
215.10779	0.2
216.04114	0.2
223.07454	0.3
225.05525	0.4
228.04254	0.6
229.04912	1.1
229.21025	0.3
231.06442	1.9
235.07607	0.4
241.04466	0.3
246.05412	0.3
247.05960	0.4
249.07503	0.5
251.07124	0.6
253.08615	0.3
261.09213	0.4
263.07034	0.6
265.08551	1.2
275.07147	0.5
277.08533	1.7
278.06009	0.3
278.09351	0.7
279.06564	0.9
281.08124	0.9
288.07980	0.3
289.08658	0.9
291.06577	0.9
292.06970	0.3
293.07999	2.4
296.28061	0.2
305.07990	3.2
306.08896	0.6
307.06055	0.3
307.09369	0.6
309.07620	0.5
311.05472	0.3
317.07996	0.4
319.06104	0.3
320.06842	0.4
321.07535	3.4
321.11014	0.3
323.05502	0.6
323.09268	0.9
325.06989	0.7
333.07462	2.3
334.04755	0.3
334.08243	1.1
337.06796	0.4
339.08560	0.4
349.07013	5.2
349.10547	0.3
350.07703	0.3
351.08511	0.6
352.09436	2.4
353.10046	0.3
362.07791	7.9
363.08478	0.8
364.09326	2.1
367.11816	0.4
377.05325	0.3
377.10129	5.3
377.14645	0.4
380.08862	41.1
381.09363	3.4
395.11188	100.0
396.11584	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	394.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.6
69.03421	1.6
69.07087	0.1
69.40913	1.7
70.06567	0.2
81.03425	0.3
84.08200	0.2
85.02883	0.5
86.05566	0.3
86.06062	4.7
87.04456	0.7
91.05473	5.7
97.02869	0.6
98.06047	0.3
98.20681	0.3
104.07113	0.4
109.02875	0.3
119.04935	20.5
120.05231	0.3
127.03909	0.6
128.07089	0.8
131.04921	0.2
147.04399	100.0
148.04744	2.2
165.05486	0.2
189.05441	0.6
194.08130	0.2
211.07567	0.4
229.08606	0.6
230.10269	1.6
247.09711	0.2
248.11253	1.1
250.10724	0.5
284.00479	0.2
291.08719	0.6
309.09607	1.7
315.08188	0.2
358.13046	0.2
376.13696	0.3
394.14929	4.8
395.13043	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	394.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21523	0.2
55.05494	0.7
65.03922	0.5
69.03419	0.5
69.07046	0.2
70.06565	0.2
70.51807	0.7
72.08125	0.3
72.85713	0.2
77.37867	0.2
81.03399	0.2
81.07043	0.4
83.38129	0.2
84.08128	0.5
85.02879	0.4
85.06545	0.2
86.05997	0.2
86.09695	0.8
91.05470	2.4
93.07032	0.2
95.04926	0.3
97.02859	0.3
99.04449	0.2
107.04945	0.3
112.07544	0.3
119.04935	10.1
121.06486	0.3
123.80106	0.2
127.03912	0.4
131.08517	0.2
143.29726	0.2
145.10136	0.2
147.04395	100.0
148.04692	2.4
190.08620	0.3
232.13304	48.2
233.13702	2.0
248.11270	0.2
274.66318	0.2
295.96021	0.2
394.18607	13.4
395.11328	0.2
395.18991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.01871	0.9
55.05292	1.0
55.05510	9.2
56.42928	0.8
57.07076	8.1
65.03949	0.8
67.05502	16.7
69.06712	1.5
69.07063	19.9
70.42325	2.5
71.08620	4.3
79.05486	6.7
81.03415	1.9
81.07053	44.6
83.08617	11.9
85.10147	1.8
91.05475	8.3
93.07037	17.8
95.04971	2.7
95.08604	73.0
96.08941	0.8
97.10180	7.1
105.07021	18.0
107.08590	25.7
109.02847	2.3
109.10152	32.6
110.10497	1.0
111.11693	4.1
115.03946	1.9
115.05448	0.9
117.06990	2.8
119.04813	0.9
119.08577	27.7
121.10139	23.5
123.11698	18.5
124.12031	0.9
125.13261	1.1
127.03912	19.6
128.90758	0.9
129.06978	2.6
131.08572	9.7
133.10124	18.8
135.11690	12.6
137.13249	16.6
141.05499	1.2
143.08537	8.4
144.09306	2.9
145.10117	25.0
147.04366	1.4
147.11671	10.3
149.13251	28.4
151.14758	2.2
155.01044	2.5
157.10114	6.1
158.10774	0.9
159.11688	39.9
161.13231	6.5
163.14812	21.2
165.16368	1.5
169.08617	1.0
170.10817	0.9
171.11668	5.8
173.13261	11.4
175.14819	14.3
175.61032	0.9
177.16370	18.3
179.17944	1.7
183.10120	2.0
183.11652	1.4
185.13254	3.4
187.14822	20.9
189.16376	8.5
191.17966	7.5
197.11617	0.9
197.13283	0.9
199.14838	6.5
201.16385	9.9
203.17943	11.5
205.19485	2.9
213.16373	22.6
214.16766	0.9
215.17934	20.5
217.19554	7.0
219.21008	1.0
227.17984	6.4
229.19504	6.0
231.21120	2.6
241.19514	12.4
243.21089	12.0
245.22565	1.3
248.51549	1.0
253.17851	1.7
255.21109	15.4
257.22632	2.6
267.26868	0.9
269.22580	6.1
283.24115	2.0
297.25751	1.7
311.27509	1.2
323.27377	2.1
337.28970	1.0
351.30466	1.2
361.38745	0.9
375.28848	3.3
393.29984	15.2
393.35062	100.0
394.35406	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.05503	10.4
57.07054	5.2
67.05499	16.3
69.07063	16.6
69.69025	8.6
71.08621	2.8
79.05482	8.7
81.06571	2.6
81.07049	46.5
83.08605	11.9
91.05475	7.5
93.07035	22.2
95.08596	79.3
97.10161	7.1
98.20745	2.8
105.07018	26.3
105.07681	2.4
107.08584	32.5
107.09283	2.2
109.10144	30.7
111.11703	2.7
117.06982	3.1
117.42311	1.2
119.08561	27.3
121.10123	19.5
123.11687	18.0
125.13268	1.4
127.03937	8.2
129.07007	2.3
131.08559	12.6
133.10118	13.9
135.11673	14.2
137.13254	18.8
141.05482	1.5
143.08571	8.2
145.10118	16.6
145.95242	1.3
147.11671	15.4
149.13235	26.7
151.14828	3.1
157.10127	4.7
159.11681	15.8
161.13260	10.1
163.14801	20.6
171.11649	6.5
172.12396	1.5
173.13239	9.1
175.14766	11.6
177.16362	17.5
179.17944	2.2
185.13286	3.5
187.14807	19.6
189.16362	9.5
191.17963	5.9
199.14783	6.5
201.16385	13.5
203.17931	17.1
205.19498	3.8
213.16353	18.7
215.17947	14.0
217.19513	10.3
219.21016	3.1
227.17967	5.0
229.19514	7.8
231.21065	3.1
241.19493	12.0
243.21085	11.5
245.22575	3.0
255.21002	17.6
257.22647	5.1
269.22519	8.1
295.24390	1.6
295.28223	1.3
297.25787	8.1
323.27286	4.5
338.25974	1.5
351.30493	2.2
351.65979	1.3
375.29156	2.8
393.30280	7.9
393.35120	100.0
394.35458	4.6
405.30902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87069	3.2
52.86748	3.1
55.05517	22.5
57.07077	20.9
58.06580	2.9
58.61120	3.2
58.67347	3.0
67.05494	6.7
69.07066	32.1
70.53392	5.2
70.53780	7.3
71.08614	5.5
79.05484	5.7
81.07057	39.9
83.08612	100.0
85.10155	5.9
91.05460	5.5
93.07034	11.4
95.08604	23.7
97.10161	13.7
105.07018	11.5
107.08619	19.6
109.10126	10.8
112.83240	2.9
119.08576	4.3
121.10126	9.2
123.11646	6.1
131.08575	8.5
133.10115	9.3
135.11670	5.7
139.14838	5.2
145.10118	12.3
147.11644	8.7
149.13245	14.2
157.10098	18.6
159.11678	10.0
161.13219	6.3
163.14793	5.0
168.83922	3.2
171.11655	4.2
173.13211	3.8
175.14755	5.0
185.13219	3.5
187.14828	11.0
201.16370	4.4
209.86604	3.3
213.16455	4.0
215.17812	3.1
229.19426	5.6
239.18118	4.9
243.21130	4.2
253.19467	6.9
255.21037	3.4
262.71179	3.1
269.22629	3.6
295.24213	10.1
309.25729	7.5
393.35114	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	393.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01874	8.7
55.05505	3.4
57.03434	4.8
57.07077	18.0
69.07064	3.8
71.05048	0.9
71.08633	18.6
71.13189	1.9
81.03416	11.4
81.07064	1.8
83.06107	0.7
83.08618	2.9
85.10185	12.6
85.55535	0.7
95.08604	2.4
97.02858	1.1
97.10160	1.1
99.04451	1.6
99.11731	1.2
109.02869	13.3
109.10172	1.0
113.06017	0.8
113.13242	1.4
115.03928	9.7
123.01441	0.7
123.04402	1.8
125.09649	0.7
125.17113	0.7
127.03915	100.0
128.04265	1.6
141.05461	5.1
141.16420	0.7
145.04939	2.4
155.07039	2.5
168.06578	1.5
169.08604	5.4
183.10185	8.0
197.11713	7.1
201.74994	0.7
211.13281	5.9
225.14830	6.5
239.16443	10.1
253.17990	11.8
267.19540	10.0
281.21149	8.9
295.22641	6.8
309.24152	5.7
323.25851	6.7
337.27383	6.8
393.33630	43.4
394.33948	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	393.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72758	3.8
53.03944	7.1
55.01873	5.3
55.05505	19.6
57.07067	14.3
62.06086	10.3
65.03945	3.7
67.05502	41.4
69.03413	5.9
69.07065	28.8
69.92414	22.7
71.04980	3.6
71.08616	7.4
79.05489	43.2
81.07051	60.6
83.08613	12.8
85.06543	9.3
91.05472	52.8
93.07036	85.7
94.24621	3.3
95.04959	64.2
95.08601	69.6
97.06501	12.3
97.10154	6.4
98.20743	4.0
98.98451	6.1
103.05455	4.4
104.55777	3.3
105.07022	100.0
107.08580	67.5
109.06523	19.2
109.10150	38.4
115.05427	4.4
117.07014	22.8
119.08567	95.6
121.06491	24.1
121.10129	52.2
121.61736	3.7
123.08055	10.0
123.11701	17.3
128.06212	10.6
129.06982	16.1
130.07773	11.8
131.08554	47.3
131.97514	3.2
132.09428	3.5
133.10124	64.8
135.08066	7.2
135.11673	27.2
141.06966	8.3
142.07782	26.6
143.08566	44.6
144.09325	11.2
145.10120	78.0
146.07162	4.0
146.10484	3.7
147.08034	9.6
147.11644	34.7
149.09598	6.2
149.13269	9.2
155.01042	14.4
155.08571	15.3
156.09355	13.0
157.10126	61.9
158.10832	9.1
159.08035	4.9
159.11690	51.3
161.09619	23.0
161.13268	10.6
162.10307	4.3
163.11116	4.8
167.08539	8.1
168.09302	6.3
169.10100	22.8
170.10933	4.7
171.11655	26.7
172.12466	6.5
173.09637	4.1
173.13232	33.3
175.11253	10.8
175.14851	22.5
179.08623	6.8
181.10098	14.6
182.10905	4.9
183.11617	18.3
185.13274	10.9
187.11244	4.7
187.14822	15.5
189.16373	3.7
193.10110	7.4
194.10835	6.3
195.11707	18.4
196.12517	8.3
197.13159	18.0
197.14832	4.0
199.14836	8.5
201.12753	4.9
201.16335	15.7
205.10182	6.6
209.13283	10.5
211.14822	10.6
213.16412	7.5
215.14209	5.7
219.17526	4.3
220.12430	4.9
221.13217	7.8
223.14883	11.5
225.16365	6.6
232.80673	4.2
235.14764	7.4
241.15987	4.2
241.19394	6.6
253.15964	7.7
265.19589	4.4
295.20428	4.3
375.26956	6.7
393.27155	17.2
393.32074	18.8
395.00226	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	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.85011	0.6
57.07064	2.9
67.05482	0.6
69.07080	1.2
69.29517	5.2
69.29939	2.3
70.56491	0.6
72.31799	0.6
79.05480	1.1
81.07055	2.1
86.60760	0.6
90.61597	0.6
91.05490	1.1
93.07030	1.3
95.08562	1.9
105.03375	0.9
107.08590	1.2
109.10150	2.1
119.08564	1.2
121.84708	0.6
123.04427	1.3
123.11672	0.6
134.03639	1.1
145.10118	0.9
147.04390	0.7
147.07950	0.8
149.05978	1.2
159.11682	0.9
189.01854	1.3
201.16338	0.7
207.02905	1.2
213.16403	0.8
227.85538	0.6
265.05011	2.7
266.05688	0.9
290.97525	0.6
293.04352	0.9
294.05240	2.1
309.20148	0.8
322.04700	16.6
323.04941	1.9
337.07025	45.4
338.07422	5.2
339.08569	0.8
375.25076	1.3
378.10992	1.2
393.13324	13.9
393.26093	100.0
394.13779	1.3
394.26419	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	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18877	1.2
50.44101	1.1
55.05498	5.3
57.03418	3.4
57.07073	35.1
59.25747	1.1
66.09912	1.0
67.05495	12.3
69.07073	7.6
69.07385	1.5
69.59779	8.2
69.60194	2.0
71.08629	25.6
79.05469	2.5
81.07055	16.4
83.08629	11.1
85.10177	13.5
88.81141	1.2
91.05479	1.8
93.07027	2.1
95.08606	27.9
97.10166	4.7
98.98460	55.0
100.68491	1.1
105.06994	4.2
107.08583	1.9
109.10157	13.9
111.11696	1.5
116.99503	2.6
118.05783	1.0
119.08529	3.3
121.10087	2.1
123.08051	1.4
123.11697	4.5
131.81432	1.1
133.10095	2.7
137.13239	2.2
145.10115	2.2
147.11664	1.7
151.14676	1.4
155.01033	100.0
156.01366	1.1
159.11713	1.6
171.11720	1.1
215.17645	1.1
239.23654	14.7
271.68433	1.5
342.16263	1.1
366.62799	1.2
393.35364	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	393.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05503	0.7
55.81086	0.5
57.03423	0.6
60.07552	0.5
67.05500	1.3
69.03419	3.4
69.07062	0.9
70.06570	1.0
71.04984	0.7
72.08145	1.1
72.65944	0.5
73.39487	0.5
79.05482	1.2
81.03401	2.3
81.07038	2.2
83.04970	0.5
84.08137	1.0
85.02903	3.0
85.06535	2.1
86.09698	2.3
91.05479	2.0
93.07032	2.0
95.04971	1.5
95.08591	2.5
97.02880	2.1
97.06522	2.0
99.04420	1.1
105.07032	1.6
107.04919	1.0
107.08582	1.6
109.02864	2.1
109.10151	1.6
111.92522	0.5
117.58382	0.6
119.04938	4.1
119.08585	1.1
121.10094	1.1
123.11691	0.5
127.03922	3.2
131.08597	0.6
135.11711	0.6
137.05933	0.7
142.00314	0.6
145.04993	0.9
147.04395	38.9
147.11690	0.6
149.13211	0.7
163.03899	1.7
167.07002	0.6
173.02266	0.9
175.03926	1.9
189.05600	0.7
193.08575	0.5
215.07047	2.4
231.04813	0.6
231.10176	1.8
232.13321	22.9
232.78741	0.6
256.74066	0.5
259.09613	1.3
303.23083	0.6
307.11411	0.9
343.20248	2.3
349.12454	4.5
357.07730	0.7
361.21313	1.5
375.22659	1.4
393.11502	18.6
393.18793	100.0
394.11597	1.2
394.19006	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	393.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.9
55.05503	0.7
55.19227	0.4
57.03413	0.4
57.07063	0.4
67.05482	2.0
68.05009	1.5
68.43185	0.3
69.03413	1.6
69.07070	2.2
70.06573	1.3
70.95895	0.9
70.96245	0.4
72.08139	1.5
79.05472	0.9
81.03386	1.2
81.07050	2.6
83.04977	0.9
84.04456	0.4
84.08118	0.9
85.02875	1.4
85.06548	3.3
86.09695	0.9
91.05469	1.1
93.07047	1.8
95.04942	1.7
95.08583	1.5
96.05650	0.3
97.02888	1.3
97.06492	0.6
99.04447	0.9
99.08079	0.7
105.07011	1.4
107.04949	0.7
107.08542	1.1
109.02890	0.7
109.06501	0.8
109.10122	1.7
111.04414	0.4
111.08067	0.5
112.28011	0.4
119.04910	0.8
119.08557	0.8
120.04424	0.4
121.02849	3.5
121.10123	1.3
123.04430	0.4
124.03935	0.5
124.05072	0.5
125.09628	0.8
127.03891	1.7
130.05006	1.0
131.08563	0.6
133.10110	0.9
135.11633	0.4
137.05980	1.3
139.11150	0.6
140.03415	0.9
145.10086	0.9
147.04384	1.2
147.11740	0.5
149.04582	0.6
151.11162	0.5
157.12209	1.1
161.13307	0.5
163.04095	0.4
166.07266	0.6
167.07036	0.8
171.06635	0.6
172.06110	0.5
179.10692	0.7
197.11755	0.6
201.06441	1.5
202.07207	2.0
203.07991	1.4
204.08768	6.3
214.07140	0.5
215.08034	2.1
216.08788	100.0
217.09396	3.7
218.10323	6.1
225.06439	10.4
226.07214	3.7
227.07985	1.6
228.08788	0.9
229.09517	1.2
230.10358	9.4
240.08786	57.3
241.09491	3.3
242.06798	0.6
242.10316	0.8
246.09845	6.5
258.09814	2.7
268.08319	5.0
272.11404	3.8
283.09341	0.9
285.22266	0.5
300.10886	53.8
301.11307	1.7
303.23172	0.8
309.06735	0.5
311.08746	0.8
315.12161	0.7
321.07523	0.8
321.24164	0.8
322.08102	0.4
333.13025	3.4
343.11267	2.4
361.12476	5.4
365.09750	1.3
375.09320	0.7
375.14081	6.3
393.09348	7.5
393.15115	37.6
394.15472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1329
Annotation	Nigrolineaxanthone I
Peak:m/z	Relative Intensity
51.87315	0.2
52.45160	0.2
54.24276	0.2
54.58587	0.2
56.40071	0.2
56.96531	0.3
67.05464	0.4
69.03397	0.3
71.62240	0.4
78.04707	0.4
79.05468	0.3
79.26218	0.2
81.07014	0.5
83.17371	0.2
89.93844	0.2
93.07026	0.4
95.08566	0.3
105.06997	0.2
106.04121	0.8
107.08547	0.3
109.10112	0.4
117.03340	0.5
117.06976	0.3
119.08572	0.5
121.02805	0.2
121.10135	0.3
123.04429	1.6
123.11667	0.3
133.02811	0.3
133.10141	0.2
134.03630	2.7
135.11694	0.2
147.04378	0.3
147.11571	0.2
149.05934	0.7
161.02359	0.3
161.05917	0.2
173.13159	0.2
181.06474	0.2
183.11729	0.2
187.07529	0.3
189.01819	1.2
195.07930	0.2
199.07556	0.3
201.09160	0.3
207.02815	1.3
210.06850	0.3
221.05904	0.3
229.04967	0.3
237.05443	1.1
238.06169	0.8
249.05363	0.6
257.07916	0.5
265.04935	5.1
266.05637	1.9
267.06482	0.2
271.09702	0.4
277.04865	0.3
292.06540	0.2
293.04395	1.6
294.05179	4.5
295.05731	0.2
296.06900	0.2
307.09628	0.3
321.04138	1.0
321.07544	0.3
321.11145	0.4
322.04700	37.1
323.05194	2.0
323.08823	0.3
324.06180	1.9
333.10986	0.3
335.05276	0.2
335.09027	0.8
337.07031	100.0
338.07385	3.9
339.08630	2.2
351.08670	0.5
351.20200	0.2
360.09900	1.0
361.10590	0.3
363.08682	1.3
363.12439	0.3
364.08932	0.3
375.12161	1.0
378.10999	3.2
379.11462	0.3
393.13309	28.5
393.26300	0.7
393.31866	0.5
394.13751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1328
Annotation	Dehydrodeguelin
Peak:m/z	Relative Intensity
55.01859	0.3
57.07073	2.4
67.05498	0.9
69.03420	0.4
69.07052	1.1
70.37423	0.9
70.37818	0.6
78.43873	0.3
81.03394	0.5
81.07038	1.1
83.08592	0.4
83.47962	0.3
91.05480	1.2
91.15831	0.3
93.07020	0.6
95.04935	0.4
95.08588	0.8
96.33185	0.3
96.83077	0.3
105.07005	0.6
107.04946	0.5
117.07027	0.4
119.08565	0.9
120.01981	0.4
121.02901	0.5
121.06506	0.4
121.10135	0.4
123.04425	1.2
127.03941	0.4
127.13789	0.3
128.06126	0.5
131.04849	0.5
131.08585	0.5
133.06508	0.4
133.10139	0.5
134.03632	0.6
135.04411	0.6
137.02437	0.4
137.05954	0.4
145.02844	0.5
145.06447	0.4
145.10130	0.4
147.04396	0.8
147.08052	0.9
149.05972	0.7
151.03987	0.4
157.06464	0.5
159.04359	0.3
161.02394	0.5
161.05951	0.4
171.08080	0.4
173.06033	0.4
175.07520	1.0
176.01082	0.5
177.05499	0.7
185.05957	1.0
185.13176	0.3
187.07520	0.4
189.01810	3.0
191.03444	0.5
194.02103	1.5
195.08084	0.4
198.06767	0.6
199.07394	0.4
201.05505	1.1
201.09041	0.4
203.03229	0.4
207.02867	4.1
209.12869	0.9
213.09036	0.4
221.06081	0.3
229.04881	1.9
237.05550	0.4
243.06563	1.3
251.07118	0.5
253.04945	1.0
254.05656	0.7
265.04980	2.1
266.05704	1.0
273.05429	0.4
275.17502	0.7
279.06433	0.6
279.10107	0.8
282.05243	0.7
289.08664	1.1
292.20242	0.4
293.04474	1.6
293.18594	0.9
294.05203	1.0
295.06113	0.5
302.18524	1.7
305.04456	1.1
307.09616	2.6
309.07480	0.4
310.04718	1.7
317.08081	1.4
318.08832	1.3
321.03830	0.5
321.10953	0.6
322.04718	7.3
322.12033	0.5
323.05435	3.8
325.07022	1.4
333.11194	2.6
335.05432	2.1
335.09161	5.7
337.07004	8.4
338.07462	0.5
345.07605	0.9
346.08313	3.6
347.08804	0.5
349.10703	0.4
352.18677	0.4
361.10663	3.9
362.10788	0.4
363.08621	7.1
376.25919	15.8
377.10251	0.5
378.10962	5.9
379.11719	0.5
393.13287	100.0
394.13687	5.0
394.27118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1326
Annotation	Dehydrodeguelin
Peak:m/z	Relative Intensity
52.30772	0.6
55.05507	0.8
60.59230	0.9
61.80311	0.8
64.65932	0.8
67.05488	1.7
69.07047	1.6
71.62556	1.3
81.07042	1.9
90.25065	0.7
91.05482	1.8
93.07013	1.9
95.08588	2.3
99.17879	0.8
105.06979	1.5
107.08553	1.3
109.10162	1.1
111.92750	0.7
119.08568	2.4
121.10098	1.4
123.04403	3.2
131.08566	0.9
133.10103	1.6
145.02762	0.9
145.10081	1.1
147.04385	1.3
147.08008	1.2
147.11700	0.8
155.08482	1.0
159.11687	1.6
159.39958	0.7
171.11705	0.7
175.07657	0.8
177.05568	1.2
183.08054	1.1
185.05916	1.0
189.01865	1.8
194.02115	1.1
198.06717	0.8
201.09152	3.7
207.02843	3.6
229.04959	2.1
243.06548	1.2
265.04953	1.5
279.06534	1.0
279.10025	1.4
293.04361	1.7
295.06046	1.0
307.09619	3.8
310.04617	2.2
317.08002	1.1
318.08694	1.6
321.11304	0.9
322.04718	6.0
323.05524	3.3
325.06860	0.9
332.59238	0.9
333.11243	2.6
335.05399	2.4
335.09131	6.6
337.07104	4.5
337.14322	3.3
346.08298	3.5
347.08951	0.9
361.10602	3.3
363.08600	8.0
378.10989	5.4
393.13297	100.0
394.13763	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	392.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62501	1.2
55.05493	3.8
57.07061	3.7
60.04537	1.1
62.06086	44.7
67.05511	7.8
69.07069	7.2
70.27062	3.4
70.27477	2.1
71.08626	1.9
76.06128	1.1
79.05481	4.7
81.07049	9.8
83.04958	1.1
83.08606	3.2
85.06535	1.3
91.05473	3.5
93.07059	7.6
95.04965	2.0
95.08596	10.5
97.06506	1.3
98.98460	1.6
105.07030	6.5
107.08564	6.2
109.06516	8.0
109.10155	4.7
111.08113	1.2
119.08561	6.6
121.06530	1.1
121.10136	4.0
123.08070	14.5
123.11683	2.4
129.07031	1.2
131.08549	2.4
133.10139	4.4
135.08018	3.5
135.11676	1.9
137.13213	1.0
143.08530	2.0
145.10109	4.4
147.11691	3.1
149.02353	3.6
149.13277	2.1
150.02710	1.1
150.29774	1.2
153.77827	1.2
155.01036	3.4
157.10147	2.1
159.11684	2.4
161.13306	1.2
167.14252	1.7
169.10187	1.1
169.51500	0.9
171.11632	1.5
173.13271	2.2
177.12762	1.9
177.16342	1.1
179.14316	37.6
180.14580	2.6
182.10930	1.1
183.11676	1.9
191.11658	1.1
193.15926	1.2
197.13263	1.6
197.36533	1.1
201.16414	1.0
205.15933	1.6
209.38074	1.1
213.16379	1.5
232.60240	1.0
244.12454	1.1
256.19101	1.6
263.20224	1.2
288.53754	1.1
294.24255	1.7
296.24567	2.0
306.24045	1.5
331.26236	10.7
336.25583	2.2
337.07239	1.4
374.30426	4.5
392.31534	100.0
393.27438	1.6
393.31876	10.2
394.71866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05490	2.5
56.96550	1.4
57.07055	2.5
60.04511	0.5
62.03048	0.5
62.06083	46.9
67.05499	5.0
69.07057	4.0
70.02943	0.6
70.80691	1.2
70.81052	0.7
71.04961	0.8
71.08609	1.7
71.16410	0.5
79.05493	2.9
81.07051	9.8
83.04954	1.3
83.08600	2.0
85.06506	0.8
91.05449	3.2
93.07039	4.7
95.04934	0.9
95.08591	7.0
97.06519	1.3
97.10196	0.7
99.08067	1.1
105.07038	4.4
107.08585	3.7
109.06509	9.1
109.10162	2.9
117.06989	0.8
119.08574	5.0
121.10130	3.5
122.07261	1.0
123.04456	0.6
123.07178	0.9
123.08064	17.6
123.11705	0.9
124.08450	0.6
131.08577	1.6
131.65797	0.6
132.08824	0.6
133.10109	2.5
135.08066	3.6
135.11746	1.2
137.00706	0.5
137.09586	1.5
143.08569	0.7
145.10132	2.5
147.11656	2.7
149.02335	1.7
149.09579	1.5
149.13271	0.8
150.02644	1.0
159.11655	2.2
161.13225	0.8
163.11143	0.8
164.40947	0.5
165.12744	1.2
166.22983	0.5
167.14177	0.7
173.13252	1.0
175.14772	0.8
177.12714	1.8
179.14291	38.2
180.14609	0.7
183.13744	0.6
191.14342	0.6
193.15906	1.0
200.16345	0.6
205.15898	0.9
210.18703	0.6
226.17998	1.5
238.18004	1.6
256.19040	2.2
263.20245	1.4
275.20068	0.8
291.01385	0.6
294.24390	1.3
303.26859	1.5
323.18665	0.9
331.26291	11.3
332.26486	0.8
333.27972	0.7
336.25296	1.7
337.07068	0.8
369.19193	1.0
374.30490	5.0
392.31531	100.0
393.09055	0.6
393.13293	5.2
393.31946	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	392.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.05511	11.7
55.11423	0.8
57.03410	1.2
57.07064	2.2
58.06596	2.6
59.04984	1.2
60.04540	0.8
61.02925	1.2
63.25159	0.8
67.05505	2.6
68.05018	0.7
69.03431	6.8
69.07071	1.0
70.06573	1.7
71.05000	1.0
71.61290	1.4
72.08160	7.9
73.02905	2.5
78.12355	0.7
81.03416	3.0
82.06564	1.1
83.04975	6.6
84.08141	45.6
85.02898	16.6
85.06524	3.6
86.09686	1.2
87.04454	1.6
91.05478	1.0
94.06596	1.3
95.04970	0.9
95.08658	0.7
96.08114	0.9
97.02890	5.2
98.09676	3.7
99.04465	1.6
100.11245	2.3
101.06015	27.4
108.08112	0.9
109.02872	2.1
110.06039	1.3
111.04441	0.8
115.00568	0.9
116.98567	0.9
119.04971	1.1
120.08096	0.8
120.58936	2.0
121.02931	1.2
122.06034	3.2
123.04385	0.9
127.03886	4.3
128.10710	25.9
134.09679	0.8
136.07588	1.1
138.09103	2.1
139.07553	2.1
140.07065	5.2
144.10228	1.8
146.06081	1.1
146.11751	18.7
147.04405	4.9
148.07578	0.9
148.11223	1.2
149.02324	3.6
149.09673	1.3
150.02705	2.5
152.07077	1.4
154.08635	4.6
166.12270	1.5
167.07060	1.6
167.10672	1.2
176.10695	1.3
180.10237	1.8
188.12856	3.4
194.11745	7.3
195.10143	1.1
196.09711	1.0
198.11195	0.9
212.12865	3.4
218.11816	1.8
218.13843	1.3
226.63148	0.9
230.10242	2.9
230.13860	39.8
231.14256	2.2
235.14467	7.9
235.64638	2.2
248.14967	3.6
254.13760	1.3
261.16013	0.9
272.14914	3.9
290.15967	22.6
291.16208	1.3
306.15506	1.4
308.17001	4.5
374.21783	3.0
392.22849	100.0
393.23727	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	392.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.62145	0.7
55.01858	1.6
55.05500	1.2
57.03423	1.7
61.02908	1.5
65.03934	1.1
67.05489	1.2
69.03430	5.3
70.06581	2.5
70.61839	0.6
71.04987	1.2
71.37419	1.9
72.08156	3.4
79.05479	3.8
81.03413	3.5
81.07037	1.0
84.04481	1.5
84.08143	1.6
85.02899	11.5
86.09697	2.1
87.04465	0.9
91.05474	3.1
94.06543	1.4
95.04946	1.9
97.02891	5.1
99.04435	1.2
103.05450	4.2
105.07017	2.8
107.04950	35.9
107.08582	0.9
108.05307	1.2
108.08099	0.9
109.02889	2.7
109.06502	0.9
111.04418	1.4
113.93811	0.7
115.05440	1.9
116.07041	0.8
117.07013	1.1
120.05721	1.5
120.08092	1.3
121.02900	1.1
121.27316	0.8
122.06042	0.8
123.04400	0.9
124.05240	1.7
124.07565	0.8
126.01048	2.1
127.03899	4.5
130.08682	0.9
131.04918	2.9
131.25575	0.7
135.08055	13.3
135.31819	0.7
136.07478	0.7
137.05994	1.1
144.02083	2.7
145.02809	0.8
145.04974	2.1
146.05931	1.0
147.04359	4.0
148.04825	0.7
148.07579	1.7
149.02373	1.9
149.05975	0.8
150.02660	0.8
154.06276	1.9
154.07964	0.7
161.05963	1.1
163.07539	32.8
164.07954	1.0
165.05579	1.1
167.07034	91.4
168.07352	2.3
172.07481	1.1
180.07867	2.5
180.08884	0.7
181.08641	1.3
194.11816	0.8
195.10161	30.9
196.10503	1.6
200.10811	3.5
213.11211	100.0
214.11481	3.9
230.13789	1.5
231.14960	4.8
243.14998	1.5
257.12906	2.4
259.52423	0.7
271.14435	0.9
300.11328	0.7
303.11691	0.9
324.60556	0.7
339.17181	3.5
339.49594	0.7
357.18097	2.9
375.19070	2.7
393.20059	3.9
393.24591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
55.01863	0.6
57.03427	1.0
60.05614	0.4
61.02914	1.1
64.86972	0.4
65.69367	0.5
67.05482	1.1
67.70338	0.3
69.03428	3.3
69.07056	1.3
70.06602	2.0
70.17304	1.3
70.17717	0.8
71.04977	1.2
72.08152	5.1
73.02901	0.6
78.48827	0.4
79.05482	0.9
81.03406	1.7
81.07041	1.0
82.06568	1.2
84.04509	0.8
84.08131	1.7
85.02898	5.8
86.09680	1.2
87.04468	0.5
89.10806	0.5
91.05459	0.9
93.07023	1.0
94.06553	2.8
95.04945	1.9
95.08579	0.5
96.08120	1.5
97.02883	2.7
97.06501	0.5
97.58127	0.4
98.06033	0.9
98.09686	1.6
99.04459	0.5
105.07018	1.0
106.06528	1.1
107.08551	0.7
108.08094	1.4
109.02872	1.3
109.06479	2.1
110.06008	2.4
110.07132	0.6
110.09668	0.6
111.08067	0.8
112.07613	1.1
113.05960	0.8
114.10281	0.5
115.08701	0.5
118.06471	0.5
119.04933	1.0
119.08546	0.5
120.08069	0.6
121.02879	1.0
121.06532	0.9
121.10023	0.5
122.06023	6.5
122.09644	1.0
123.04407	0.8
123.08096	0.5
124.07587	3.0
126.09144	0.5
127.03914	1.9
131.08536	0.8
132.08130	0.4
133.06493	0.6
133.08879	0.4
133.10100	0.6
134.09641	1.7
135.08064	0.9
136.07550	1.6
136.11224	1.1
137.05914	0.5
138.09113	3.5
139.04007	0.5
139.07475	1.9
140.05948	0.5
140.07051	9.7
142.08591	0.8
145.04994	0.6
146.09561	0.6
147.04401	5.8
148.04750	0.4
148.07564	0.7
148.11220	3.0
149.02319	1.5
149.09633	2.4
150.02640	0.7
150.09125	1.2
150.58929	0.4
151.11145	0.4
152.07103	0.9
154.08617	18.7
156.10168	0.7
163.03944	0.5
166.12288	3.8
167.07051	0.9
167.10695	2.4
168.10161	1.3
176.10684	3.1
177.09070	0.9
192.74799	0.4
194.11748	12.1
195.10185	1.0
203.06956	0.5
212.12794	6.2
218.11763	0.8
230.13855	100.0
231.14168	2.9
235.14301	0.4
242.15279	0.5
254.13937	0.6
296.14795	0.5
374.18106	0.5
392.18784	4.9
393.23911	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	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01853	1.0
55.05498	0.8
56.05023	1.5
57.03437	0.8
61.01154	1.3
61.02905	1.8
65.03925	0.6
67.05489	0.9
68.05042	0.7
69.03415	2.2
69.73477	0.6
70.06583	5.8
70.31834	1.2
72.08147	6.1
79.05476	2.6
81.03400	1.4
83.04967	0.6
84.04486	2.1
84.08116	1.9
85.02900	5.8
86.09697	3.6
89.10752	0.9
91.05514	2.9
93.01763	0.6
94.06529	0.6
95.04964	1.8
97.02882	2.7
98.06035	1.4
98.09701	0.6
98.97576	0.6
102.05543	1.0
103.05466	2.7
104.05344	0.7
105.07006	4.5
107.04951	29.7
107.08560	1.2
109.02860	1.4
111.04432	0.7
112.07584	0.7
115.05418	0.9
115.27964	0.6
116.07091	0.8
117.06973	1.0
119.04896	1.6
120.05729	1.4
120.08109	1.6
121.02805	0.6
123.04430	1.6
125.05991	0.8
126.01047	1.3
127.03894	4.6
131.04951	0.9
132.10178	3.3
135.08035	9.3
137.05956	1.1
144.02095	1.3
145.04987	0.9
147.04404	5.6
149.02319	1.1
150.02739	0.9
152.04745	0.6
154.06247	3.0
155.07018	1.4
163.03867	1.0
163.07539	18.0
167.07018	19.2
167.08228	2.0
169.04904	1.3
177.05388	1.0
178.04898	0.6
180.07829	2.1
185.09200	0.7
195.10161	100.0
196.10449	2.2
206.04541	0.6
213.11218	6.1
215.08952	0.6
216.08762	0.8
218.11810	0.6
231.15009	1.6
233.09558	1.4
240.08806	0.8
242.93185	0.6
257.69867	0.6
300.10822	0.7
310.59052	0.8
339.16916	0.9
370.78467	0.6
379.71100	0.7
392.08261	3.5
392.20929	0.9
393.09464	0.8
393.15686	1.1
393.20877	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	392.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03941	1.1
55.01869	1.2
55.05524	0.3
56.05029	2.6
57.03431	1.6
59.87629	0.3
61.01139	1.1
61.02913	1.0
63.02372	0.6
65.03944	0.4
67.05497	0.3
68.99796	0.7
69.03425	7.6
69.07055	0.3
69.53355	1.3
69.53779	0.9
70.06588	5.6
71.04984	0.9
71.08620	0.3
72.08154	4.8
72.98473	0.9
73.02915	1.4
73.08480	0.4
78.03460	0.6
79.05479	0.6
80.05023	0.3
81.03413	7.5
81.07072	0.4
82.87968	0.3
83.01324	0.3
84.04496	2.1
84.08155	1.4
85.02898	14.7
86.03222	0.5
86.06042	0.3
86.09695	4.6
87.00832	3.3
87.04475	0.5
89.10790	0.3
90.03436	5.3
91.05470	1.3
94.06554	0.3
95.04964	0.5
96.04524	0.3
97.02888	4.7
98.06046	0.7
98.09705	0.6
99.00012	2.7
99.04455	2.9
101.02387	0.4
102.05541	0.9
103.03928	0.7
103.05472	0.5
104.05318	1.7
105.01866	2.6
105.07047	0.5
107.04955	4.9
107.08591	0.6
108.04478	0.6
109.02871	7.1
109.06473	0.3
110.07170	0.4
112.07602	2.6
112.59942	0.3
115.05402	0.4
115.08675	0.4
116.07105	0.8
117.01845	0.4
119.04927	0.6
120.08112	1.2
121.02852	0.5
121.06446	0.4
121.10149	0.5
122.06044	0.8
123.04420	0.4
124.07622	0.3
126.01064	95.2
126.05490	2.1
127.01804	2.1
127.03907	12.0
128.02588	0.9
128.04271	0.3
128.07056	0.3
129.01842	0.8
129.10266	0.5
131.04927	0.4
132.10197	4.0
135.08051	1.6
136.07532	0.3
137.05968	0.4
140.07054	2.1
144.02104	100.0
144.10211	0.4
145.02513	1.1
145.04953	4.0
147.02892	0.6
147.04404	2.8
148.04771	0.4
149.02324	2.4
149.09631	0.4
154.06204	0.4
158.08081	0.6
159.02887	2.5
163.03909	1.0
163.07529	2.7
167.07014	3.4
167.08212	3.5
177.05403	0.3
177.09218	0.4
180.07718	0.5
184.07553	0.3
185.09215	1.4
186.03177	0.9
187.06012	0.7
189.03969	0.6
195.10159	14.1
212.01012	0.4
212.73607	0.2
213.03952	0.8
213.11218	3.5
215.08495	0.7
218.11836	0.3
226.15205	0.3
231.05022	1.8
233.09477	1.5
235.14491	0.4
243.07933	0.7
252.04121	0.4
256.63507	0.3
257.54190	0.3
261.09073	0.6
270.05508	0.6
284.11258	0.3
288.06393	1.0
306.07330	4.3
308.06339	0.6
310.59180	0.5
311.09116	0.4
330.07370	0.4
356.05264	0.4
356.16537	0.3
374.06433	1.7
374.24829	0.3
392.07562	18.7
392.25757	0.6
392.70959	0.3
393.08301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03941	1.1
55.01869	1.2
55.05524	0.3
56.05029	2.6
57.03431	1.6
59.87629	0.3
61.01139	1.1
61.02913	1.0
63.02372	0.6
65.03944	0.4
67.05497	0.3
68.99796	0.7
69.03425	7.6
69.07055	0.3
69.53355	1.3
69.53779	0.9
70.06588	5.6
71.04984	0.9
71.08620	0.3
72.08154	4.8
72.98473	0.9
73.02915	1.4
73.08480	0.4
78.03460	0.6
79.05479	0.6
80.05023	0.3
81.03413	7.5
81.07072	0.4
82.87968	0.3
83.01324	0.3
84.04496	2.1
84.08155	1.4
85.02898	14.7
86.03222	0.5
86.06042	0.3
86.09695	4.6
87.00832	3.3
87.04475	0.5
89.10790	0.3
90.03436	5.3
91.05470	1.3
94.06554	0.3
95.04964	0.5
96.04524	0.3
97.02888	4.7
98.06046	0.7
98.09705	0.6
99.00012	2.7
99.04455	2.9
101.02387	0.4
102.05541	0.9
103.03928	0.7
103.05472	0.5
104.05318	1.7
105.01866	2.6
105.07047	0.5
107.04955	4.9
107.08591	0.6
108.04478	0.6
109.02871	7.1
109.06473	0.3
110.07170	0.4
112.07602	2.6
112.59942	0.3
115.05402	0.4
115.08675	0.4
116.07105	0.8
117.01845	0.4
119.04927	0.6
120.08112	1.2
121.02852	0.5
121.06446	0.4
121.10149	0.5
122.06044	0.8
123.04420	0.4
124.07622	0.3
126.01064	95.2
126.05490	2.1
127.01804	2.1
127.03907	12.0
128.02588	0.9
128.04271	0.3
128.07056	0.3
129.01842	0.8
129.10266	0.5
131.04927	0.4
132.10197	4.0
135.08051	1.6
136.07532	0.3
137.05968	0.4
140.07054	2.1
144.02104	100.0
144.10211	0.4
145.02513	1.1
145.04953	4.0
147.02892	0.6
147.04404	2.8
148.04771	0.4
149.02324	2.4
149.09631	0.4
154.06204	0.4
158.08081	0.6
159.02887	2.5
163.03909	1.0
163.07529	2.7
167.07014	3.4
167.08212	3.5
177.05403	0.3
177.09218	0.4
180.07718	0.5
184.07553	0.3
185.09215	1.4
186.03177	0.9
187.06012	0.7
189.03969	0.6
195.10159	14.1
212.01012	0.4
212.73607	0.2
213.03952	0.8
213.11218	3.5
215.08495	0.7
218.11836	0.3
226.15205	0.3
231.05022	1.8
233.09477	1.5
235.14491	0.4
243.07933	0.7
252.04121	0.4
256.63507	0.3
257.54190	0.3
261.09073	0.6
270.05508	0.6
284.11258	0.3
288.06393	1.0
306.07330	4.3
308.06339	0.6
310.59180	0.5
311.09116	0.4
330.07370	0.4
356.05264	0.4
356.16537	0.3
374.06433	1.7
374.24829	0.3
392.07562	18.7
392.25757	0.6
392.70959	0.3
393.08301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
55.05498	2.9
57.06816	1.4
57.07073	12.1
65.03920	1.0
67.05495	15.3
69.07057	1.4
70.58681	0.9
71.03578	1.5
71.03919	1.9
71.08627	11.2
79.05481	1.9
81.07026	2.4
83.08609	1.7
85.10160	4.8
85.51923	0.9
91.05464	8.9
93.07039	46.9
95.04961	4.1
95.08604	28.8
97.06513	2.2
107.08582	4.0
108.22942	1.1
109.10151	2.4
111.08070	28.4
121.02869	1.7
121.06497	2.5
121.10075	1.7
125.09614	3.0
127.07536	4.2
135.08072	1.4
139.07530	25.3
149.02336	15.9
153.09106	15.9
157.08604	8.5
167.03421	1.7
167.10669	11.1
181.12254	8.1
195.13818	5.0
209.15401	3.1
223.16869	3.1
237.18542	1.6
251.20058	1.8
255.51865	1.0
265.21542	1.6
279.23239	1.8
391.35669	100.0
392.35950	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	391.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08529	0.8
53.03951	4.6
55.01870	7.2
55.05509	14.3
57.03424	3.4
57.07071	13.1
57.90028	1.0
63.68528	1.0
67.05491	3.4
67.10928	0.9
67.29433	0.7
69.07066	31.0
71.08622	11.9
71.55048	1.6
79.05486	1.0
81.03416	10.6
81.07048	4.6
81.38905	0.8
83.04993	1.0
83.08615	19.2
85.10179	5.3
87.61845	0.8
91.05475	1.1
93.07047	1.9
95.04990	1.1
95.08583	6.7
96.46974	0.9
97.10171	11.9
99.04417	1.4
105.07008	1.8
107.08591	2.8
109.02860	11.4
109.10154	5.5
109.11377	0.8
111.11708	6.6
113.05974	1.4
115.03900	6.8
119.08572	1.6
121.06495	1.0
121.10130	1.4
123.04442	2.3
123.08041	1.2
123.11701	3.1
125.13250	4.0
127.03909	100.0
128.04230	2.2
131.08505	1.0
135.08025	1.2
135.11711	1.0
137.13272	1.5
139.14795	2.4
141.05499	5.6
145.04916	1.8
146.55119	0.8
149.02319	10.8
149.09569	2.1
155.07024	1.6
167.03395	1.5
168.06627	2.1
169.08612	6.1
177.09171	1.3
183.10158	18.8
195.10176	6.7
197.11728	6.5
209.11736	3.9
211.13232	4.3
223.13306	2.8
225.14838	4.7
237.14857	4.0
239.16464	5.5
239.72305	1.0
251.16296	4.9
253.17973	7.3
265.18085	6.9
267.19540	4.6
279.19586	3.7
281.21133	3.2
293.21170	3.2
295.22714	3.1
307.22644	1.9
309.24115	5.0
321.24423	2.1
335.25876	3.3
346.88199	1.0
373.31134	1.6
391.32053	34.9
392.32175	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63320	0.8
56.96539	0.9
57.07067	2.1
63.99951	0.9
67.05495	1.5
67.18814	0.6
69.07063	1.4
70.25890	3.5
71.08620	2.8
79.05490	1.6
81.07030	2.7
83.08608	0.7
91.05451	1.6
92.45851	0.7
93.07034	1.3
93.77406	0.8
95.08579	2.7
105.07014	2.4
107.08588	1.5
109.10151	2.0
119.08569	1.7
121.02844	1.3
121.10142	1.6
123.11746	1.1
133.10057	1.0
143.08534	0.9
145.10052	0.9
149.02330	17.5
149.13322	0.8
155.74188	0.7
167.03413	2.0
272.07211	0.8
321.16876	1.1
368.18033	1.1
391.14465	6.5
391.24512	100.0
392.24826	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	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.6
57.07054	1.5
57.10034	0.4
67.05489	1.2
69.07051	0.7
69.79650	0.4
71.08600	1.3
71.64252	0.7
77.81398	0.4
79.05472	0.9
81.07054	1.3
84.53637	0.4
89.59084	0.4
91.05455	0.8
93.07027	0.8
95.08614	0.6
105.07005	0.8
107.08603	1.2
109.10165	0.8
115.85899	0.5
119.08562	1.2
121.02855	0.5
123.04424	1.1
133.10191	0.7
149.02321	8.9
159.11679	1.0
167.03395	1.9
174.55385	0.5
269.10611	0.6
285.29645	0.6
329.32431	1.1
349.10861	0.5
362.86465	0.5
391.24503	100.0
392.24670	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
56.96555	0.6
57.07058	0.7
61.94251	0.3
62.32741	0.3
66.83695	0.3
67.05481	1.1
69.07078	0.5
70.06578	0.5
71.08620	0.7
72.71519	0.4
75.41588	0.3
79.05485	0.6
81.07048	1.2
85.02863	0.5
91.05459	0.7
93.07052	0.8
95.08580	0.8
105.06993	0.6
107.08588	0.6
109.10143	0.5
119.08569	0.5
121.02850	0.7
121.10107	0.6
123.04427	0.9
127.03880	0.4
133.10159	0.4
135.11739	0.7
145.10110	0.4
149.01164	0.3
149.02338	6.7
149.99927	0.3
159.11789	0.4
167.03459	0.8
184.07588	0.3
195.44914	0.3
269.10669	0.5
270.10861	0.4
286.10602	0.5
292.07062	0.4
349.16959	0.4
350.17059	0.5
391.24500	100.0
392.24823	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	391.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.6
55.05506	21.2
56.58635	1.6
57.03429	4.0
57.07072	12.0
59.58750	1.4
62.20569	1.6
65.03940	2.0
67.05505	16.4
69.07064	31.5
71.08622	8.7
71.64470	1.8
79.05486	12.7
81.07056	32.2
83.04987	3.6
83.08614	24.4
85.10174	2.6
91.05481	4.5
93.07034	15.6
95.04971	3.3
95.08595	24.1
97.06549	9.5
97.10166	17.5
98.98461	86.2
105.06997	9.8
107.08595	12.7
109.06531	2.9
109.10142	14.7
111.08073	5.3
111.11716	5.5
116.99520	4.0
117.06986	1.8
118.44582	1.5
119.08562	6.5
121.10126	18.9
123.11700	7.9
125.09611	1.7
129.07027	2.7
131.08565	4.4
133.10114	7.2
134.84636	1.3
135.11671	13.8
137.13245	7.1
142.07735	2.1
143.08557	5.3
145.10115	9.0
147.11639	4.5
149.02328	29.3
149.13307	8.3
152.13931	1.6
155.01035	100.0
157.10106	6.0
159.11691	6.5
161.13264	2.3
163.14789	3.0
167.03358	3.7
169.10109	3.6
171.11732	3.9
173.13289	3.3
177.16386	4.5
183.11652	3.1
185.13364	2.2
187.14871	5.1
189.16287	1.9
191.18028	2.2
195.11681	2.0
196.03659	2.6
197.13269	5.2
199.14684	3.1
201.16385	5.0
207.11838	1.8
211.14874	2.9
213.16225	3.4
215.18018	2.2
219.21046	10.1
221.13368	2.4
237.22121	30.6
239.14137	2.0
239.18013	2.4
243.82994	1.8
249.16273	2.0
253.19426	2.0
281.97372	1.7
373.26978	3.0
391.26529	5.2
391.28601	2.6
391.33569	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	390.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05506	1.5
56.05023	1.9
56.82439	0.9
69.03411	1.6
69.07065	1.2
70.06586	11.3
71.04967	1.1
71.49173	0.8
71.62436	1.7
72.08148	14.4
73.08475	0.9
80.66811	0.8
81.03413	2.0
82.06577	0.8
84.04515	2.7
84.08133	6.0
85.02904	4.8
86.09695	3.3
89.10778	2.6
91.05467	1.8
94.06558	0.9
95.08611	1.3
96.07542	1.5
96.08130	19.4
97.02876	2.2
98.06030	1.2
98.09688	100.0
98.97546	1.3
99.10041	1.8
100.07585	1.3
105.07055	3.9
108.08118	1.2
109.02889	1.1
110.07165	1.0
110.09671	16.9
110.46763	0.9
112.07602	0.9
114.09161	44.6
115.05422	1.8
119.04917	2.7
121.02869	1.0
122.09688	1.6
124.03947	1.9
124.07619	1.3
124.11224	6.1
127.03909	2.5
129.10255	1.6
133.06490	4.2
134.09714	1.0
136.07553	0.9
136.11238	1.2
140.07077	1.7
142.08635	4.2
147.04395	14.9
148.04732	1.9
148.11078	1.0
149.02330	5.4
152.07094	2.1
154.08572	2.0
161.05969	7.6
169.09663	1.3
193.08620	5.8
201.06709	0.8
202.15919	1.2
210.11255	0.9
218.11777	5.3
219.12288	0.9
219.18483	1.1
226.63046	1.9
228.02716	1.7
228.12210	1.4
229.06023	2.0
231.18633	3.2
233.20135	5.3
235.14392	10.9
235.64587	2.3
245.20110	9.2
247.21738	1.0
249.19620	12.1
263.21274	3.2
264.03696	1.8
285.23206	1.5
315.16568	1.1
328.27457	12.9
329.27710	1.1
344.26923	22.0
346.28513	79.2
347.28964	4.0
372.26593	1.2
390.07904	2.8
390.27521	63.4
391.12195	1.4
391.18497	1.3
391.23340	0.9
391.27908	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	390.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.2
56.96564	53.0
67.05489	0.9
69.07062	1.5
71.62193	1.1
71.95260	3.6
72.96038	2.0
74.97620	1.9
79.05505	1.3
81.03387	0.9
81.07040	0.8
81.57492	0.9
83.08636	0.9
84.96061	1.9
89.56616	1.0
90.12432	0.9
91.05506	1.9
93.07039	1.6
94.21846	0.8
95.04980	1.3
95.08567	0.8
105.07066	2.5
107.04919	1.2
107.08558	1.1
110.97604	2.1
116.98624	1.1
119.08633	1.0
123.01222	1.9
123.04404	12.0
128.98613	5.0
133.01747	0.9
133.10130	0.9
134.99638	1.2
140.08604	0.9
141.02260	2.8
146.99661	7.1
147.03323	1.9
147.04367	1.1
149.02391	2.3
149.05975	2.2
155.03818	2.5
157.01735	1.1
159.03313	1.1
161.01262	1.6
161.06012	1.4
165.00702	2.7
165.04422	1.3
166.39642	0.8
169.01747	2.1
171.03328	2.1
173.04837	1.3
175.02821	1.3
177.04323	1.4
179.99367	0.9
181.05397	0.9
182.19911	0.9
183.03325	1.7
185.04861	2.5
187.02788	3.5
187.06293	0.9
189.04327	2.6
191.05956	1.6
197.04897	1.3
199.06412	3.8
201.04306	1.6
203.05908	4.2
207.06950	1.1
211.06339	1.2
213.07928	1.0
215.05855	1.0
217.05679	1.1
217.07422	5.0
221.08612	1.4
223.02867	0.8
225.07932	1.7
233.08519	1.7
235.06448	1.7
235.10059	1.1
237.07895	1.5
239.09631	3.2
243.09010	1.8
247.10295	0.9
249.08102	1.7
251.09494	5.6
253.11185	2.4
255.09084	3.0
257.10678	2.6
259.10126	1.3
263.09488	5.6
265.11157	3.8
269.10370	3.9
269.15353	1.4
271.12238	1.0
273.10062	1.8
274.11188	1.2
275.09537	2.5
277.11096	15.2
279.12567	4.7
281.10577	10.7
282.11096	0.9
283.09497	1.0
283.12250	1.8
291.12680	2.7
293.14261	1.7
295.12183	7.5
296.12103	0.9
297.13785	2.9
299.11652	5.8
300.12625	2.4
304.12131	1.8
307.12170	1.6
313.14874	1.4
331.15768	45.1
332.16208	3.8
334.11621	1.2
349.16849	100.0
350.17175	7.6
367.17911	68.7
368.18326	4.6
372.18469	21.3
373.18866	1.6
385.19031	1.6
390.19562	17.6
390.30048	1.4
391.11819	1.5
391.19278	4.9
404.14975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01872	2.5
59.00304	0.9
69.03417	1.7
69.70161	4.1
72.08145	3.4
79.05487	5.2
79.59526	0.7
84.04500	1.8
85.02892	6.7
89.07528	0.8
90.79469	0.8
91.05489	2.1
97.02884	2.7
103.05483	5.6
105.07028	47.7
106.07315	1.1
115.05427	8.0
115.05997	0.7
118.04176	3.1
127.03910	1.5
130.05035	1.0
131.04947	1.8
133.06488	49.6
134.06805	1.4
136.80440	1.0
143.05025	1.0
143.06070	3.0
145.04991	1.4
147.04372	1.0
152.07056	1.5
161.05972	100.0
162.06335	2.5
167.07054	1.2
180.08698	2.7
193.08603	83.8
194.08972	2.0
268.34949	0.8
278.48178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01851	2.8
57.03418	2.0
61.02913	2.1
62.98199	0.9
69.03405	3.8
71.39532	2.3
72.08143	1.6
79.05482	5.4
80.79916	1.0
81.03403	2.1
82.36839	1.1
85.02895	14.7
91.05473	5.8
92.35080	0.9
95.04929	2.4
97.02872	4.8
98.09705	1.4
103.05453	5.9
105.07023	60.2
107.04929	3.7
109.04996	1.0
109.06495	1.4
115.05441	12.1
118.04154	2.6
119.04948	7.3
121.06472	2.5
122.84389	1.0
123.08021	1.4
127.03895	2.0
131.04935	2.4
133.06482	60.9
140.04655	1.1
143.04942	1.5
143.06001	3.9
145.04962	2.2
147.04402	2.8
149.05956	3.8
151.07503	4.1
153.05450	2.6
157.42343	1.1
160.86546	1.0
161.05974	100.0
162.06285	1.3
167.06995	3.0
168.07802	1.9
179.06966	1.1
180.08675	3.2
193.08589	71.7
194.08905	1.1
195.97765	1.0
211.09647	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	389.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56348	0.4
54.93951	0.4
55.05507	0.9
56.96561	0.8
60.20681	0.5
67.05496	0.9
69.07059	0.8
71.61983	0.7
71.62424	0.8
72.08131	0.6
79.05461	1.3
81.07035	1.9
91.05469	1.2
93.07019	1.5
95.08585	1.3
97.02887	0.6
105.07040	1.6
107.08584	1.3
118.59535	0.5
119.08600	0.9
121.10120	0.6
131.08548	0.6
133.10106	1.0
135.08003	0.5
135.11658	0.8
145.10132	0.5
152.27687	0.5
157.10033	0.5
167.06998	0.5
328.32211	0.7
348.13376	0.8
349.12964	1.4
349.17010	0.8
353.24658	0.6
366.14383	1.1
389.22925	100.0
390.23254	6.4
390.35611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.7
56.96551	1.2
57.03414	0.4
63.17976	0.4
67.05477	1.5
69.07056	1.0
70.41582	1.1
79.05478	0.7
81.03431	0.4
81.07044	2.3
83.08601	0.7
91.05450	0.7
93.07017	1.0
95.04962	0.6
95.08586	1.5
97.06524	0.4
98.21413	0.4
105.07018	0.9
107.04922	0.4
107.08577	0.9
109.10139	0.9
119.08574	0.9
121.10145	0.9
123.07982	0.5
123.11690	0.7
128.06229	0.7
131.08591	0.4
133.10110	0.5
135.11693	0.6
137.05937	0.5
145.10075	0.5
146.86133	0.4
147.11679	0.4
151.14685	0.4
157.10179	0.3
159.08022	0.5
159.11740	0.4
167.07118	0.5
178.08607	0.4
229.07541	0.5
231.08974	0.5
247.08362	0.6
269.12427	0.6
289.08447	1.2
290.09238	0.7
303.10016	0.5
305.11575	0.5
318.08740	3.2
331.09528	0.9
332.10483	0.4
333.11191	7.9
334.11487	0.8
349.16693	1.7
367.17944	0.9
389.17532	12.6
389.22870	100.0
390.18030	1.2
390.23230	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	389.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.4
56.84883	0.9
56.96559	1.8
60.78120	1.0
62.90913	0.9
67.05486	3.0
69.07050	2.1
69.56953	2.5
69.57349	8.2
74.98167	1.0
78.19118	1.0
79.05466	1.1
81.07037	3.4
91.05460	3.4
93.07037	3.0
95.08587	2.8
97.02840	1.4
105.07040	2.8
107.08596	2.6
109.06552	1.2
109.10066	1.1
119.08602	2.2
121.10139	2.2
135.11713	1.3
159.11652	1.5
203.05850	1.1
252.70015	1.0
371.25644	1.3
389.13855	5.0
389.22949	100.0
390.23239	4.2
390.35483	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	389.2176
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
53.03917	0.6
55.01860	1.1
55.02975	0.4
55.05509	2.5
57.03420	0.6
60.05629	1.8
61.02925	0.5
65.03923	0.5
65.90891	0.4
67.05480	1.6
69.03422	2.3
69.07059	4.4
69.80256	3.0
70.06578	1.9
71.04981	1.9
72.08150	14.3
73.02886	0.4
73.06490	0.5
76.55445	0.4
79.05485	3.0
80.27966	0.5
81.03389	1.4
81.07034	1.4
83.04965	2.0
83.08624	0.7
84.08166	1.0
85.02895	2.6
85.06525	0.9
86.09689	1.7
89.10760	1.2
91.05492	1.5
93.07025	1.4
95.04976	2.3
95.08594	1.2
97.02865	1.5
97.06524	24.5
97.07543	3.5
98.06044	4.6
99.04450	2.1
103.05489	1.2
105.07018	1.7
107.04931	1.1
107.08589	1.5
109.02878	1.2
109.10097	1.0
114.10284	13.5
115.05433	0.6
115.08658	3.4
116.98650	0.6
117.03385	0.5
117.06908	0.7
119.08574	1.0
120.08053	0.5
121.02870	1.0
121.06525	0.7
121.10139	1.0
123.04418	1.7
123.08034	1.1
127.03915	0.9
129.06987	0.6
131.04881	1.7
131.08588	1.0
131.12894	1.9
131.15387	0.5
133.06520	0.6
133.10112	1.7
135.04401	2.0
135.08054	0.5
137.05984	1.5
139.11136	0.8
140.08159	1.5
141.06944	0.6
143.08549	0.7
145.02795	1.0
147.04382	3.4
147.08092	0.6
147.11647	1.0
149.05937	1.1
151.03874	0.6
151.11107	0.8
153.09131	0.6
157.06441	0.6
157.10956	2.6
159.04420	0.6
160.05171	1.6
161.02303	1.1
161.05949	7.4
163.03893	35.6
163.07463	1.0
164.04189	0.8
165.12735	0.7
167.06998	1.6
167.08553	2.1
169.06441	1.6
169.12207	0.7
171.08069	0.7
173.02417	0.8
173.05983	3.7
174.06700	0.6
175.03912	2.9
175.07521	1.9
176.04633	0.7
177.05455	1.4
183.13768	0.7
185.05937	0.8
185.09583	1.1
187.07529	1.4
189.01793	1.1
189.05446	1.9
189.09094	9.7
191.14259	1.5
195.08003	3.7
197.05989	0.7
200.04666	0.6
203.07005	0.9
203.10652	0.7
207.02919	1.4
209.15370	1.9
213.09105	3.3
215.07016	13.0
215.10449	1.0
216.07336	0.6
217.08557	2.6
227.16386	2.4
231.10240	2.7
241.08537	2.4
259.09631	8.7
271.05963	0.5
283.11624	0.7
312.15909	1.0
329.18549	2.0
330.16904	2.1
331.46320	0.5
354.18201	1.1
361.06958	0.7
371.14862	0.7
371.20834	1.6
372.19156	2.7
389.11206	2.8
389.21735	100.0
390.22037	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	389.2165
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.67035	1.9
53.03940	1.9
55.01857	3.3
55.05499	5.2
57.03418	1.9
67.05482	3.8
69.03426	17.5
69.07047	4.3
70.06580	3.2
70.68527	7.6
71.04980	3.2
72.08140	7.8
79.05486	4.1
81.03350	2.1
81.07056	5.0
83.04958	5.3
83.08599	3.5
84.08157	2.8
85.02887	9.5
86.09648	1.7
91.05476	4.8
93.07028	5.9
95.04944	5.1
95.08580	8.2
97.02881	3.8
97.10153	2.3
98.06068	2.0
99.08083	4.7
103.05486	3.0
105.03376	3.5
105.07017	3.5
107.04878	2.6
107.08595	13.7
109.02798	2.3
109.06509	2.0
109.10152	4.3
111.08116	4.7
119.04964	1.9
121.06481	2.4
121.10153	13.0
123.11676	4.0
124.07564	2.1
125.08734	3.5
125.09618	45.1
127.03893	8.8
131.04892	8.3
131.08517	2.6
133.10089	5.9
133.39079	2.0
135.08026	5.9
137.09621	3.1
139.07500	2.4
143.45995	1.8
147.04402	3.2
149.09601	57.6
149.13249	5.1
151.11160	15.5
153.09099	13.0
154.09857	2.5
163.07503	6.6
163.14821	7.1
165.12688	2.2
167.07028	3.2
167.10765	3.3
173.13208	4.7
179.06992	2.4
191.14296	26.0
209.15356	100.0
210.15735	3.8
227.16333	9.5
259.09653	2.7
273.97330	2.2
274.12155	1.8
360.89499	2.1
371.16220	2.4
389.13797	3.6
389.21664	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	389.2168
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03936	3.8
55.01860	4.1
55.05262	1.6
55.05507	25.5
57.03436	6.1
57.07077	1.7
57.42556	1.2
59.04985	2.3
60.04511	1.3
61.02922	8.1
65.03923	1.9
65.47515	1.1
67.05170	2.0
67.05502	30.3
67.18551	1.3
69.03431	16.5
69.07067	6.4
69.80199	5.4
69.80605	2.5
70.06593	8.0
71.04975	4.4
72.08150	12.7
73.02904	3.7
79.05479	7.2
81.03412	9.8
81.07051	12.6
83.04977	85.5
84.04013	1.3
84.04487	5.2
84.08131	7.0
85.02899	44.4
85.06528	7.3
85.88849	1.2
86.06050	2.3
86.09706	7.8
87.04464	2.7
88.03989	2.8
91.03934	2.5
91.05464	6.7
93.07036	10.2
95.04951	7.0
95.08601	33.3
97.02897	15.8
97.06513	4.6
98.06025	2.6
98.09660	3.5
98.20745	2.3
99.04473	7.0
101.06024	19.0
102.05512	2.6
102.51408	1.2
103.05466	3.0
105.07019	8.7
107.04939	4.7
107.08587	20.9
109.02842	6.4
109.06490	3.8
109.10152	100.0
110.02402	1.6
110.07148	1.7
111.04461	1.8
111.08062	5.4
115.03920	1.7
115.05428	1.3
115.07573	1.9
116.07070	1.8
119.04932	3.8
119.08562	7.2
120.08105	1.7
121.02853	1.7
121.06476	3.9
121.10162	8.8
123.04454	1.7
123.08051	12.2
123.11644	1.7
124.07595	1.6
125.05986	1.9
125.09623	17.3
127.03922	14.1
129.10225	2.4
130.06586	2.1
131.04906	4.8
131.08553	4.7
133.06470	2.6
133.10101	11.0
135.08047	6.6
135.11647	2.8
137.05969	4.4
137.09610	16.1
138.05515	1.4
138.09084	2.3
139.07544	2.9
145.04964	9.8
145.10110	2.3
147.04434	9.4
147.08049	1.2
147.11664	2.2
148.06004	2.6
149.09590	4.7
149.13252	2.2
151.07500	2.4
153.05492	1.5
153.09087	2.8
158.10785	1.6
161.05986	3.4
161.09381	2.1
161.13257	6.8
163.03911	2.1
163.07509	4.7
163.11140	6.7
163.14754	5.9
165.09032	1.8
167.06998	10.0
170.09581	1.9
171.11734	1.3
173.13266	6.9
177.05408	1.4
177.12790	1.7
179.14305	44.7
181.08484	1.6
183.10114	1.4
191.14293	12.0
193.08585	3.8
197.08145	1.6
197.15381	16.5
198.09129	4.8
203.14282	3.7
207.06479	2.2
209.07965	1.7
209.15353	96.8
210.15793	2.6
211.09634	2.2
215.13989	1.5
220.09569	1.6
221.15361	5.1
227.14139	1.6
227.16394	34.1
228.10228	1.4
228.12247	5.8
233.15497	1.5
234.98955	2.3
235.07649	1.5
235.14339	1.6
242.15094	3.3
252.10167	2.2
269.17587	1.7
305.17532	2.3
323.18564	2.8
325.11972	1.5
335.18414	2.4
339.94168	1.4
341.19452	4.9
343.12793	2.1
353.15265	1.7
353.19440	3.0
389.13037	2.0
389.17432	7.1
389.21368	4.9
390.23962	3.5
414.88251	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	389.2168
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.01861	2.7
55.05511	11.6
56.96554	2.9
57.03427	4.9
57.07062	2.1
58.06567	2.4
59.04982	2.4
60.04533	2.4
61.02905	1.8
65.03908	2.2
67.05492	7.4
68.99789	2.4
69.03424	21.5
69.07066	12.4
70.06573	12.8
71.04967	9.3
71.61967	2.9
72.08148	44.7
73.02876	2.8
74.06068	3.3
79.05483	7.0
81.03414	8.1
81.07045	10.6
83.04958	11.5
83.08596	2.9
84.04511	3.1
84.08135	6.7
85.02895	18.6
85.06541	7.6
86.09696	15.1
87.04447	3.9
89.10796	6.1
91.05444	11.2
93.07035	12.8
93.65987	2.0
93.66672	2.1
95.04977	13.7
95.08593	18.3
96.08134	2.2
96.08898	4.4
97.02883	8.1
97.06538	10.4
97.10158	5.5
98.06065	11.2
98.06609	2.0
98.09678	2.6
98.97583	3.2
99.04439	15.6
99.08081	7.1
101.05998	2.7
103.05453	27.2
105.07030	9.7
107.04942	8.8
107.08583	20.8
108.08862	2.5
109.02880	7.1
109.06522	9.5
109.10131	9.8
111.08073	6.3
113.05988	3.5
114.10285	3.1
115.05467	3.3
115.07558	2.7
115.08677	8.1
119.04922	5.6
119.08568	7.6
120.08082	3.3
121.02839	5.1
121.06499	7.4
121.10131	15.2
123.04420	2.3
123.08062	12.7
123.11697	4.7
125.06001	4.0
125.09616	44.6
126.10217	2.6
127.03905	8.9
129.10236	2.9
131.04922	53.4
131.08568	5.6
132.05301	3.1
133.06451	3.2
133.10118	19.7
135.08052	7.4
135.11658	3.3
137.02373	2.7
137.05966	7.9
137.09592	3.3
138.05482	6.1
139.07594	2.2
139.11194	3.2
143.11763	4.2
145.02892	2.3
145.04883	2.2
145.06490	3.5
146.06110	2.0
147.04384	18.1
147.11688	13.0
149.06023	2.7
149.09605	45.6
149.13240	7.1
151.07562	4.4
151.11171	9.6
152.41092	1.9
153.09109	21.7
154.09715	2.3
157.10106	2.2
159.04440	2.3
161.05971	5.0
163.03880	3.0
163.07518	30.2
163.14790	6.2
165.12822	2.5
167.07043	8.8
167.10701	2.9
169.06506	2.8
171.10078	2.9
173.05888	2.7
173.13231	9.1
175.07495	2.3
177.05482	9.7
179.14287	4.3
183.13634	2.7
189.12769	2.9
191.14326	29.9
192.14560	2.3
195.02905	8.1
197.15482	2.8
201.12180	2.5
207.06575	2.7
207.13736	3.1
209.15350	100.0
210.15689	3.7
215.06990	5.0
217.84592	2.1
224.05435	3.6
227.16399	43.8
228.12270	3.5
283.11707	3.7
302.14063	4.0
307.85733	2.2
357.10461	2.4
371.19278	3.0
378.45157	2.5
389.06137	4.0
389.13574	4.5
389.17838	3.9
389.21466	14.1
390.24246	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	389.2169
Annotation	Icariside B5
Peak:m/z	Relative Intensity
52.40910	1.4
52.65728	1.3
53.03921	1.9
55.01869	1.8
55.05507	21.5
57.03423	4.9
58.36612	1.7
59.04997	2.5
60.05634	2.4
65.03910	1.8
67.05499	8.2
69.03427	8.9
69.07060	8.4
70.06585	2.8
70.26927	6.4
71.04977	5.6
72.08153	9.4
74.40211	1.4
79.05482	9.0
79.92416	1.6
81.03401	2.7
81.07050	9.6
83.04966	10.9
83.08605	15.4
84.08128	10.4
85.02902	8.1
85.06516	8.6
86.09696	2.2
89.13982	1.5
91.05476	8.7
93.07017	8.2
95.04959	95.4
95.08584	11.0
96.05299	1.8
97.02882	4.1
97.06524	28.7
97.10162	2.0
98.09720	1.7
99.04452	25.4
103.05462	2.5
105.07001	7.2
107.04928	2.9
107.08590	12.2
109.02847	3.6
109.06500	10.2
109.10134	9.3
109.87536	1.6
111.08073	4.8
113.09597	2.0
114.10268	6.7
114.80816	1.4
115.05450	2.2
117.07005	1.7
119.04829	1.8
119.08569	5.6
121.10114	9.8
123.04406	2.7
123.08041	7.2
123.11683	3.2
125.05972	1.9
125.09654	3.7
127.03884	4.9
129.06996	1.7
131.04944	3.4
131.08548	4.2
131.12903	2.5
133.06487	1.7
133.10133	16.2
135.04395	3.7
135.08005	5.1
135.11700	1.5
137.05952	6.0
137.09607	2.0
143.08549	2.3
145.02824	2.9
145.10118	3.6
147.04332	3.0
147.11632	5.6
149.05968	1.9
149.09634	2.5
149.13249	3.4
151.03839	1.8
151.07565	2.3
151.11174	17.0
153.09102	27.6
161.02321	6.5
161.05910	2.7
163.03879	15.7
163.07544	1.8
163.11269	2.0
165.12738	1.6
167.07050	11.6
167.08321	2.5
167.14319	17.4
173.02313	7.6
173.06001	1.7
173.13240	5.1
175.07417	2.9
175.14771	2.6
177.05464	2.1
179.06941	1.6
181.04913	1.9
184.05136	1.8
191.14285	12.2
193.08583	1.8
207.13759	2.1
209.15346	100.0
210.15747	2.3
212.04704	2.5
213.09062	4.3
215.06995	17.7
217.08585	1.8
227.16537	7.5
231.13852	1.7
241.08583	3.2
259.09631	23.4
275.04651	1.4
294.54758	1.5
308.25827	1.5
317.24896	2.5
353.09995	2.9
371.11069	2.7
371.15231	2.5
371.20490	3.0
371.29218	2.7
372.19003	3.2
389.13272	4.9
389.21674	71.3
390.22015	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	389.2176
Annotation	Macarangioside F
Peak:m/z	Relative Intensity
55.01849	1.4
55.05505	2.2
57.03419	1.8
57.07023	0.7
60.05638	2.7
62.49850	0.7
64.80316	0.7
67.05495	1.8
69.03426	2.0
69.07059	3.9
70.06580	2.5
71.02889	1.0
71.03201	1.3
72.08148	23.4
73.08511	0.8
74.52824	0.8
79.05486	3.2
81.03422	1.5
81.07052	2.3
82.06572	1.1
83.04951	1.0
84.08131	1.6
85.02901	2.5
85.06546	0.8
86.09677	0.9
91.05466	2.1
93.07047	2.5
95.04948	6.8
95.08599	1.9
96.08122	6.7
97.02899	1.8
97.06527	23.2
97.07648	1.1
97.08904	1.8
98.06024	1.0
99.04450	2.9
99.08124	0.8
100.11241	1.1
103.05444	1.3
105.07030	3.0
107.04946	1.7
107.08603	1.6
108.08124	0.7
109.06506	3.0
109.10147	2.0
111.04414	1.4
111.08073	0.9
114.10280	9.6
115.08691	1.6
119.04929	2.0
119.08581	2.0
121.10126	2.2
123.04476	1.1
123.08051	1.7
127.03867	1.1
129.06902	1.1
131.04933	4.0
131.08554	1.2
131.12912	4.1
133.10132	5.1
135.04398	1.7
136.11227	1.6
137.05959	2.2
141.07028	0.9
145.02850	0.9
147.04381	3.5
147.11678	2.0
150.12900	1.1
151.07532	1.2
153.09087	3.1
156.10242	1.4
157.06480	1.2
157.10828	1.0
159.04416	2.6
161.02295	3.8
161.05971	3.0
161.09631	0.8
163.03879	18.9
163.07538	2.3
165.12778	0.9
167.07037	4.9
167.08485	1.3
168.16209	2.1
169.06467	1.4
171.55855	0.7
173.02316	9.5
173.06046	1.8
173.13248	2.4
175.03851	1.8
175.07585	1.6
177.05452	1.1
185.05968	1.7
185.09502	1.1
187.07542	1.9
188.97513	0.8
189.01826	1.1
189.05457	4.2
189.09099	2.0
191.14285	4.5
195.08063	1.9
197.05980	3.4
205.08600	0.9
207.02884	6.2
209.15320	10.6
211.07532	0.8
213.09027	1.4
215.07008	27.4
217.04961	1.2
223.07552	0.8
227.16350	7.1
231.10124	1.4
234.11301	0.8
241.08656	3.6
258.11301	5.2
259.09622	21.3
290.29761	0.8
312.15796	2.1
318.13129	1.0
329.18585	7.9
371.15491	1.1
372.19037	3.3
382.15579	0.8
389.21527	100.0
390.21802	6.2
399.65475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1743
Annotation	Kanzonol E
Peak:m/z	Relative Intensity
60.68882	0.4
64.12840	0.3
67.05460	0.7
69.07011	1.2
69.52612	1.1
69.53032	1.9
79.97220	0.3
91.05439	0.5
91.16919	0.3
93.70701	0.3
95.08559	0.7
97.06479	0.5
97.10115	0.4
100.57365	0.3
102.53475	0.3
105.06994	0.6
107.04913	0.6
107.08518	0.5
109.10077	0.4
115.05453	0.4
119.04887	0.9
119.08512	0.7
121.02789	1.0
128.06175	1.1
129.06941	0.6
133.02773	0.9
143.08510	0.8
144.88499	0.3
145.02846	0.3
145.06508	0.4
153.01706	1.2
155.08475	0.5
159.08014	0.7
162.03116	0.4
169.06403	0.7
183.07973	0.8
187.07469	0.4
197.05899	1.1
211.07552	0.4
215.06961	0.9
219.08014	0.4
225.05414	0.8
231.08006	0.4
234.10294	1.2
248.08151	0.5
249.12508	0.5
253.04990	1.0
259.11063	1.0
261.09088	0.7
262.09900	1.1
267.06500	0.5
274.10162	0.4
276.07767	0.6
277.08572	0.6
277.12167	1.3
287.10617	0.7
289.08582	8.0
290.09348	3.6
291.09909	0.8
293.08090	0.6
302.19974	0.3
303.10068	2.5
304.10767	0.8
305.08102	1.9
305.11688	3.8
306.08673	0.4
315.10114	2.3
316.10803	0.7
317.08054	2.3
318.08835	15.3
319.09555	0.7
321.11029	1.7
331.09619	2.7
332.10416	3.2
333.11176	46.2
334.11676	1.7
359.12582	0.6
371.25461	0.5
374.14923	2.0
382.80984	0.4
389.17444	100.0
390.07626	0.4
390.17773	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	389.1382
Annotation	Ser-HoPhe-OH
Peak:m/z	Relative Intensity
50.36359	0.6
55.09086	0.5
55.66492	0.5
57.07068	0.6
65.03924	0.6
67.05502	0.8
68.22901	0.5
69.07048	1.5
70.06551	0.7
71.61979	0.8
79.05495	1.1
80.62222	0.6
81.07037	1.3
85.83424	0.5
91.05437	1.0
93.07029	0.9
94.78927	0.6
95.04958	1.1
95.08594	1.4
107.04958	0.9
107.08588	0.8
109.06575	0.8
109.10147	0.8
115.05450	0.7
119.08556	0.8
121.02872	3.8
121.06512	0.6
121.10139	1.2
123.04409	2.3
125.38601	0.5
129.07043	0.7
133.10127	1.2
135.04398	1.0
149.09549	0.6
179.08479	1.0
203.06911	0.8
213.05405	0.6
240.86288	0.5
253.08585	1.4
260.56256	0.6
289.08478	0.6
295.06284	0.9
301.08551	0.8
305.08090	0.7
307.06058	0.9
307.09589	0.8
309.07526	0.6
314.09302	0.7
317.08206	1.4
318.08850	1.0
319.09732	1.3
327.09851	0.8
329.11606	0.7
331.09702	3.0
333.07541	0.8
333.11151	1.3
335.09146	3.4
341.07947	1.8
343.09552	0.6
343.13348	0.9
345.07385	0.8
345.11215	1.7
347.09158	1.6
349.10715	1.7
353.10544	0.8
355.09683	1.8
356.10205	1.1
357.10959	0.9
359.09079	1.1
361.10489	1.0
361.14429	1.1
371.12570	5.3
372.13049	0.7
373.10733	2.6
374.11142	1.4
389.13809	100.0
390.14047	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	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01876	8.6
55.05519	1.0
57.03432	6.3
59.59876	0.9
61.02926	6.3
68.99786	2.3
69.03426	32.2
69.07058	1.1
69.31336	8.5
69.31747	2.1
70.06594	2.1
71.04982	4.7
72.08156	2.5
73.02915	6.8
79.05473	1.5
81.03413	22.9
81.07069	1.2
85.02901	100.0
85.06527	1.1
86.03239	2.7
86.09700	1.4
86.49635	0.9
87.00826	36.0
87.01337	2.2
91.03965	2.0
91.05481	1.2
95.08602	1.8
97.02887	26.9
97.06536	4.4
99.04452	13.3
105.01860	66.4
105.07020	13.9
105.42712	0.9
106.04172	1.0
107.08528	1.4
108.04488	4.6
109.02876	27.6
109.10207	1.0
110.03236	1.2
114.10293	1.5
115.03897	1.5
117.01847	2.5
119.08592	1.9
120.86613	1.1
123.02911	1.3
123.08061	2.3
124.08395	1.5
126.05527	1.6
127.03911	74.4
128.04192	1.1
129.01831	2.8
133.10158	1.4
134.60481	1.1
137.06013	1.0
145.04950	37.9
147.02902	2.7
147.04370	1.7
151.07547	4.1
152.07909	3.0
159.02882	16.0
163.03932	3.8
163.11150	1.5
164.11566	2.0
167.07028	5.4
171.02907	1.2
173.02344	1.4
177.04041	1.7
177.05498	2.7
182.12506	1.3
189.03958	3.9
193.78270	1.0
207.13741	1.9
208.14195	4.7
213.03969	4.0
213.09099	1.8
215.07037	2.1
230.06752	1.2
231.04996	27.7
231.10011	1.2
248.07654	2.4
249.06093	9.8
259.09653	3.1
266.08960	1.2
281.08362	1.1
337.07040	2.6
338.07816	8.8
342.23035	1.0
353.10114	15.9
371.11224	14.1
388.15662	4.1
388.20502	6.4
389.12326	13.3
389.21829	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1225
Annotation	Naphthgeranin D
Peak:m/z	Relative Intensity
68.02575	0.3
69.03383	1.1
69.03703	0.3
69.07038	0.7
69.33516	3.8
79.05452	0.4
81.06999	1.1
82.14748	0.3
85.06509	0.3
91.05421	1.2
93.03342	0.8
93.07000	0.5
95.04962	0.3
95.08546	0.9
96.44520	0.3
105.03362	0.5
105.06968	0.5
107.04901	1.3
107.08542	0.4
108.02044	0.3
109.10120	0.4
113.02320	0.3
114.10371	0.3
117.03356	0.4
119.04916	0.5
120.05647	0.7
121.10098	0.4
122.03537	0.3
122.06029	0.4
122.31254	0.3
123.04395	0.3
131.04893	0.5
134.03627	0.8
135.04375	0.6
137.05870	0.5
145.06422	0.4
145.10127	0.3
147.04323	1.0
147.11586	0.5
148.05150	0.8
151.03831	0.7
159.04420	0.5
161.05927	0.5
163.03888	4.6
167.07074	0.5
173.05952	0.5
175.03816	1.0
176.04718	1.9
177.05421	0.5
179.06915	0.4
181.04883	0.5
187.04106	0.3
189.05406	0.8
189.99812	0.4
191.03381	4.8
191.08479	0.4
197.05881	0.5
201.05336	0.9
203.03430	2.0
204.04146	2.3
205.04887	2.9
207.02728	0.3
209.09607	0.4
219.08096	0.4
221.04367	1.6
222.05124	0.8
235.07507	0.5
236.08305	0.4
237.09048	0.8
239.07024	0.7
243.06366	0.4
247.07536	0.7
253.04793	0.5
253.06013	0.3
253.08621	3.5
254.09291	1.3
255.06673	0.3
259.09674	0.4
263.07077	0.8
264.07791	0.6
265.08551	2.7
267.06531	1.3
269.08005	0.3
281.04816	0.6
281.08020	11.6
282.08759	2.6
291.06573	0.4
292.07321	0.6
293.08011	3.6
294.08716	0.3
295.05899	0.9
296.06628	0.4
297.11200	1.5
309.07489	3.8
310.08383	2.7
317.24725	0.7
319.05997	1.4
320.06674	1.0
321.07556	5.4
325.06906	1.0
325.10556	0.7
335.09155	0.7
335.25833	0.7
337.07025	18.0
338.07794	46.3
339.08231	2.1
353.10153	100.0
354.10510	3.2
356.09042	2.7
370.52017	0.3
371.11218	82.1
372.11523	3.2
389.12268	92.3
390.12500	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	388.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01862	0.7
55.05483	0.8
57.03431	4.1
59.04978	1.0
61.02914	0.6
62.51814	0.5
65.03928	1.8
66.85563	0.5
67.05489	1.5
68.74473	0.5
68.99757	1.0
69.03071	0.6
69.03422	9.2
69.07044	1.7
70.06566	0.4
70.33401	0.4
70.95683	1.2
70.96033	1.0
71.04974	2.1
72.08127	1.0
73.02895	0.6
78.04700	0.4
79.05484	2.0
80.05009	0.5
81.03407	7.1
81.07040	1.5
83.04952	0.7
84.04482	0.8
85.02894	13.3
85.06520	0.5
85.69762	0.5
87.00820	2.1
91.05471	49.2
92.05799	1.8
93.07059	1.1
94.04209	0.6
95.04943	0.9
95.08598	1.4
97.02883	12.9
97.06512	5.1
99.04440	4.1
101.02367	18.9
103.05469	0.6
105.06997	1.6
107.04984	1.1
107.08578	0.9
108.04475	0.9
109.02869	12.5
109.10116	0.6
114.10242	0.7
117.07025	0.7
119.03403	100.0
119.08578	1.1
120.03687	1.4
121.10182	1.2
122.03630	0.7
123.04450	1.3
123.08138	0.6
123.11723	0.6
125.05997	0.6
126.05521	0.8
127.03904	20.1
128.04282	0.6
129.05556	0.5
129.07007	0.9
131.03383	2.2
131.04945	1.7
133.06461	0.7
133.10150	0.8
134.10509	0.5
135.04385	0.6
135.11699	0.7
137.05966	11.2
137.09721	0.7
138.06291	7.5
143.04884	0.5
145.02901	0.5
145.04948	6.4
145.06432	1.0
147.04405	1.5
149.05920	0.7
151.03900	2.0
151.07642	0.6
153.05418	0.6
157.06418	0.8
159.08008	0.7
161.02296	0.6
161.04446	1.4
161.05753	0.6
163.03931	3.1
163.07504	1.2
167.07018	5.3
168.07335	2.0
171.08066	1.2
173.02432	1.4
173.04459	3.7
173.05865	0.9
175.03897	0.6
175.07520	1.2
177.05479	1.6
181.04947	2.6
181.06436	0.8
181.08554	0.6
182.05322	1.7
189.09050	0.9
191.06992	1.0
192.07326	1.2
197.04382	0.9
199.07527	0.9
203.05482	0.9
205.08693	0.6
209.08017	1.0
215.07069	3.1
217.08760	0.7
227.05464	2.6
234.68872	0.5
235.09688	0.8
245.06538	8.4
259.09634	3.5
263.07547	3.4
277.08740	0.6
289.10715	0.8
311.05011	0.7
312.05887	1.6
317.09973	0.9
321.11172	0.9
335.11273	0.6
339.12180	1.7
340.13013	0.7
353.10266	2.1
358.13614	2.1
370.14139	1.6
371.11057	1.3
371.15015	0.7
388.14740	8.1
388.25540	6.7
388.29974	1.0
389.11847	1.7
389.16342	0.8
389.21698	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43921	1.2
53.03942	1.4
53.44362	1.0
55.05261	1.4
55.05511	21.5
57.07088	7.3
60.19731	1.3
62.31514	1.3
67.05503	7.1
69.07065	33.2
69.07443	1.6
70.81340	4.4
71.08620	3.4
71.46095	1.4
79.05477	3.4
81.07047	17.3
83.04966	3.5
83.08617	18.0
91.05467	3.7
93.07037	7.3
95.04976	1.4
95.08606	14.7
97.10166	18.4
105.07018	2.9
107.08598	3.4
109.06509	5.2
109.10153	11.0
111.11713	7.7
111.76628	1.3
112.93984	1.3
119.08582	1.8
121.06529	2.9
121.10161	2.1
123.08091	3.5
123.11706	5.5
125.13274	2.7
133.06435	1.6
133.10068	1.7
135.11737	1.5
137.05972	17.3
137.13229	3.7
138.06737	2.2
139.07520	2.8
147.08064	3.5
149.05971	4.8
149.09579	2.2
151.06451	1.3
151.07532	34.0
159.08066	2.8
161.05989	5.6
161.09619	3.2
165.05481	10.3
165.09100	10.1
167.07031	100.0
168.07372	2.1
173.09665	1.5
175.07532	4.4
175.11174	2.1
177.09122	7.5
177.16429	1.5
179.07054	6.0
179.10663	3.2
181.08598	6.3
189.09129	7.5
191.07033	5.5
191.10680	3.1
192.07780	2.9
193.08620	9.5
195.10176	2.7
200.43475	1.4
203.10646	5.7
205.08557	9.3
205.12402	1.8
207.10161	14.0
215.10725	1.9
217.12210	5.2
219.10178	4.4
221.11687	6.4
229.12276	2.0
233.11705	2.7
235.13293	2.4
247.13393	2.0
263.16379	1.8
291.19507	2.9
303.31082	1.5
341.28467	2.1
369.27512	1.6
387.28885	25.2
388.15820	1.8
388.29489	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	387.2007
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03925	3.9
55.01863	4.1
55.05497	6.9
57.03419	7.4
57.07064	3.7
59.04984	3.3
59.32802	1.5
59.67776	1.8
61.02907	6.9
63.25852	1.8
67.05492	10.3
69.03425	21.4
69.07063	9.8
69.58028	7.1
69.58458	7.5
70.06591	15.7
71.04989	3.5
71.06884	2.4
72.08125	2.5
73.02902	2.4
79.05481	13.9
79.12576	1.6
81.03409	12.4
81.07051	22.7
83.04955	7.4
83.06097	2.0
83.08612	1.9
84.04511	2.1
85.02896	54.1
85.06539	11.8
86.09700	5.8
87.04449	3.8
91.03965	2.4
91.05451	12.5
93.07037	11.6
95.04960	7.5
95.08598	15.0
97.02883	17.5
97.06504	9.9
98.20706	1.8
99.04433	5.6
99.08073	1.9
100.11205	2.9
103.05449	2.6
103.86009	1.9
105.07005	16.6
107.04929	8.1
107.08579	12.9
109.02859	10.4
109.06513	10.1
109.10158	14.4
111.08084	2.0
115.05415	3.1
117.06985	3.5
118.06848	5.0
119.04949	3.8
119.08559	12.9
121.02834	2.0
121.06480	4.9
121.10118	11.2
122.03600	2.6
123.04401	6.5
123.08058	34.7
123.11665	5.3
125.05967	7.0
125.09632	2.4
127.03910	15.8
129.06955	2.7
131.04857	4.2
131.08546	5.0
133.06450	3.9
133.10106	12.3
135.04453	2.1
135.08099	2.6
135.11659	7.1
137.04988	2.9
137.05963	37.9
137.09573	5.6
139.07503	3.1
139.11082	2.1
143.08540	4.1
145.02768	1.9
145.04947	17.2
145.06079	2.5
145.10040	8.3
146.11714	2.5
147.04384	7.1
147.08005	3.9
147.11653	7.1
149.05966	2.6
149.09592	5.6
149.13290	2.6
151.03877	4.8
151.07524	59.3
151.11093	3.4
153.05446	4.0
153.09052	2.4
155.07034	2.5
159.11609	1.9
161.05972	4.2
161.13181	3.7
163.06000	2.1
163.07510	3.0
163.11157	28.7
163.14729	2.1
165.09087	4.2
167.07016	30.6
173.05878	2.8
173.09596	2.0
173.13252	3.0
175.03885	2.8
175.13274	1.8
175.14763	3.1
177.05417	5.8
177.09015	2.3
181.01299	2.8
181.04962	9.7
181.12233	22.6
184.17506	1.7
187.07507	1.8
189.12709	15.6
191.07001	5.8
191.14314	4.9
193.08534	4.3
195.06517	3.4
201.05396	1.9
203.06964	2.9
207.06482	13.7
207.13779	100.0
208.14178	2.5
209.15350	6.1
217.08510	3.1
221.18872	2.1
225.14795	13.3
227.12706	2.2
231.08276	2.6
233.08112	2.4
234.06627	2.2
235.07486	2.1
247.07558	3.6
249.09113	2.7
259.07648	2.5
275.16245	1.8
277.08533	3.4
279.10181	2.2
287.16412	2.6
291.10025	4.1
297.04010	1.9
297.11166	2.1
305.07877	2.6
307.09558	3.2
309.11053	2.6
315.04807	9.6
319.09830	3.3
324.10150	2.3
333.24139	6.5
337.10730	10.2
351.12354	4.7
351.25281	6.7
357.13422	8.5
369.13287	8.4
369.18518	2.1
369.25964	7.1
387.10019	2.6
387.14301	22.3
387.20068	54.1
387.74323	3.4
388.20322	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.03934	3.5
53.04174	0.8
55.01862	3.2
55.05511	1.9
57.03440	5.5
57.07055	2.7
59.04982	2.3
61.02925	10.3
62.94603	0.8
67.05520	5.3
69.03072	1.2
69.03429	24.3
69.07042	3.2
70.06571	1.9
70.96777	2.5
71.04972	3.6
72.08147	5.2
73.02896	3.7
74.03220	0.9
79.05479	3.9
81.03048	0.9
81.03423	11.4
81.07051	6.7
83.04974	3.1
85.02902	79.9
85.06524	4.6
87.04458	5.6
91.03937	4.1
91.05459	3.7
93.07037	4.7
95.04956	3.3
95.08601	7.8
97.02280	1.6
97.02892	27.2
97.06538	4.7
97.07609	1.2
99.04443	5.6
103.05431	1.0
105.07035	9.5
107.04945	1.7
107.08613	6.3
108.05717	1.6
109.02866	6.4
109.06494	4.4
109.10168	2.2
113.09634	1.0
114.10299	4.8
114.12754	1.4
117.07004	1.3
119.08600	5.3
121.06458	4.3
121.10138	6.6
122.07281	1.9
123.08068	57.6
124.08267	1.2
125.05985	8.2
127.03920	19.2
131.08540	2.4
133.06467	4.7
133.10100	3.7
135.08020	2.0
135.11673	2.7
137.05980	14.6
138.98854	0.9
143.04887	1.1
143.08623	1.3
145.04958	29.8
145.06210	1.7
145.10130	5.2
147.04430	2.2
147.08057	1.7
147.11661	4.5
149.09566	1.2
151.07538	100.0
153.09074	3.5
156.09273	1.1
159.07967	1.3
161.06116	1.1
161.13219	1.4
163.06035	3.0
163.11182	54.1
164.11543	1.4
165.40120	0.9
167.06989	4.3
169.08557	1.1
171.11641	1.3
181.04942	2.7
181.12233	37.5
189.12758	17.5
191.14268	3.4
192.11418	1.1
207.13799	64.8
209.15268	6.4
223.13390	1.4
225.14848	12.3
231.29936	1.0
237.02939	1.2
277.09381	0.9
294.13586	0.9
295.34567	1.0
300.16052	1.5
325.16498	1.3
328.15390	3.1
343.17438	1.0
357.13281	1.8
359.20850	3.1
370.17584	1.4
387.14566	5.6
387.20090	91.6
388.20322	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05495	9.3
57.03426	5.7
57.07069	4.2
65.03934	4.1
67.05495	19.5
69.03421	14.2
70.06591	35.4
70.56330	14.0
71.06926	4.7
71.95724	3.9
72.08150	33.7
76.21006	4.2
79.05473	7.1
81.03389	6.3
81.07047	8.7
83.04980	5.2
84.04460	6.5
84.08128	14.2
85.02911	21.3
85.06516	11.7
86.09696	13.1
87.04452	4.4
91.05467	11.3
93.07028	13.4
95.04897	5.4
95.08601	68.9
97.02872	11.6
97.18599	4.3
105.07056	4.5
107.08583	8.0
109.02859	6.0
109.06526	6.8
109.10150	4.9
110.07138	10.7
113.05983	9.5
119.04926	8.8
119.08589	17.2
120.08064	9.6
121.02824	5.6
121.10101	10.6
123.04446	5.6
123.08052	44.7
127.03902	10.2
129.10214	6.2
133.10088	5.3
135.11678	14.4
137.05974	5.9
147.04422	33.4
147.08040	6.6
149.09616	33.4
151.07523	16.7
161.13284	11.0
163.11156	16.7
165.09087	5.3
165.12692	7.6
167.07060	9.6
177.05499	5.6
178.05827	6.0
181.12178	8.0
189.12715	19.0
207.13794	100.0
225.14854	10.5
241.04947	5.4
356.22000	11.7
359.09155	5.5
387.08594	23.8
387.15579	24.2
387.20398	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2006
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03928	3.7
55.01852	5.5
55.05500	4.0
57.03434	11.1
57.07051	4.6
59.04993	8.8
59.67437	1.4
61.02688	1.3
61.02922	13.2
67.05499	7.2
69.03420	38.2
69.07040	3.0
70.06575	5.2
70.55883	1.2
70.75314	2.7
70.75710	3.0
71.04975	5.9
71.14468	1.2
72.08134	4.3
73.02906	7.0
74.06081	1.4
75.69688	1.3
79.05476	3.8
81.03409	15.1
81.07036	8.9
83.04982	6.6
83.08591	2.0
84.08130	2.6
85.02895	100.0
85.06520	3.0
86.03240	1.8
86.09684	2.8
87.04468	7.7
91.03947	7.8
91.05465	7.9
93.07041	10.8
95.04941	8.4
95.08592	15.6
96.95363	1.2
97.02279	2.3
97.02880	34.7
97.06493	6.7
99.04429	8.6
105.07011	15.2
107.04903	2.5
107.08578	15.5
108.45943	1.4
109.02881	11.2
109.06493	9.5
109.10160	9.8
111.04442	6.6
111.08063	1.7
113.05988	3.0
115.03934	1.3
117.06983	1.5
119.08561	8.5
121.02836	1.4
121.06471	7.1
121.10117	24.1
121.10911	2.2
123.08050	56.5
123.11697	4.3
125.05976	12.0
125.09599	3.6
125.54491	1.2
127.03889	28.1
129.06938	1.3
131.08557	3.1
133.06479	4.0
133.10132	8.0
135.08006	4.3
135.11665	4.6
137.05942	3.1
137.09576	5.0
139.07549	2.6
139.11179	7.6
143.08549	1.9
145.04941	30.6
145.10094	12.3
147.04376	3.3
147.11681	7.9
149.09616	11.8
149.13132	1.4
151.07527	90.0
151.11127	14.2
153.05397	1.9
153.09073	2.5
156.09340	1.9
159.11713	1.3
161.13208	4.6
163.05981	2.4
163.11165	71.5
163.14764	2.7
164.11455	1.4
165.12738	4.2
167.07037	3.7
167.10727	3.4
171.06506	2.1
171.11606	2.5
173.13162	2.3
179.14290	2.1
181.12209	55.5
183.13834	1.7
188.54865	1.5
189.12740	29.0
191.14281	5.6
207.06506	3.0
207.13779	88.7
208.14153	1.9
209.15349	6.4
225.14818	29.0
303.87021	1.6
325.16504	2.0
343.17365	1.4
358.95605	1.3
359.08887	2.7
369.19119	4.0
387.08844	13.4
387.20038	70.5
388.08932	3.0
388.20340	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	SCHEMBL3183521
Peak:m/z	Relative Intensity
56.94984	0.5
67.05486	1.2
69.03406	0.6
69.07077	1.0
69.61904	3.9
70.06665	0.4
71.04978	0.4
78.04736	0.5
79.05490	1.0
81.03400	1.1
81.07037	1.6
83.08598	0.6
91.05470	1.1
93.07029	1.8
95.04942	0.6
95.08602	2.0
98.42059	0.5
99.04453	0.5
105.07004	1.4
107.08575	1.6
109.10159	1.0
117.03360	1.1
117.06095	0.5
117.06960	0.5
119.08609	1.0
121.02837	0.5
121.06508	0.6
121.10109	1.0
122.03593	0.6
123.04399	1.4
127.03896	0.9
130.96907	0.5
131.08556	0.6
133.10139	0.6
133.95271	0.6
134.03641	3.3
135.11646	0.6
137.05968	9.7
143.04858	0.5
145.06462	0.6
147.08109	0.5
147.11667	0.7
149.02316	1.1
149.05943	1.0
151.03873	0.8
151.07533	3.5
165.05557	0.5
166.75090	0.6
167.07002	1.1
169.10182	0.5
173.06001	0.6
176.29887	0.5
179.07080	0.5
181.04924	1.9
181.06407	1.0
191.07097	0.4
198.06775	1.0
207.06477	0.6
226.06166	1.4
237.05472	2.3
241.04877	0.6
254.05771	0.7
265.04929	1.4
269.04593	0.5
269.07922	0.7
281.04419	1.1
282.05209	17.0
283.05548	0.4
284.06842	1.6
297.07553	22.1
298.04538	0.6
311.05600	0.7
312.06244	20.3
313.06873	1.5
320.48178	0.5
327.08603	100.0
328.08893	2.8
336.06229	1.1
351.08563	1.9
357.13245	1.5
369.13336	51.7
370.13708	1.7
387.10547	1.5
387.14496	13.1
387.24927	1.0
387.32791	0.6
388.14014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
55.01863	0.6
55.05497	0.4
59.04994	1.1
60.04774	0.3
65.03943	2.1
66.04709	0.5
66.88712	0.2
67.05504	1.6
69.03421	0.8
69.07053	1.0
69.35143	1.3
69.35573	1.2
70.06558	0.3
71.04996	0.4
72.08154	1.3
78.04705	0.3
79.05504	1.5
81.03407	0.7
81.07075	1.5
82.04187	0.4
82.91337	0.2
85.02905	1.4
85.06540	0.3
91.05492	2.0
92.22408	0.2
93.03425	0.4
93.07037	0.9
94.04179	2.5
95.04992	1.3
95.08589	0.6
97.02908	0.6
97.06512	0.9
98.21481	0.5
103.05466	3.0
105.03366	0.4
105.07037	1.7
106.04183	0.9
107.04945	2.3
107.08553	0.5
108.02080	0.4
109.02887	0.4
109.06516	0.7
109.10153	0.9
110.03653	0.7
111.04427	0.8
115.05450	1.7
116.18283	0.3
117.07024	2.4
118.04167	0.7
119.04961	0.6
119.08560	0.6
121.02816	0.3
121.06490	0.8
121.10117	0.4
122.03646	7.6
123.04445	1.0
123.08109	0.3
123.11705	0.4
124.05204	0.5
125.05984	0.7
125.09639	0.4
127.05455	0.3
129.06999	0.4
131.04936	3.1
131.08588	0.3
132.05710	0.6
133.02827	0.6
133.06520	1.7
133.10097	0.4
134.03714	0.3
135.04408	0.3
135.08061	0.3
135.11693	0.2
137.05974	100.0
138.03133	0.5
138.06317	0.7
139.03899	0.6
141.05507	0.3
142.02655	0.3
142.63098	0.2
143.04951	2.4
145.06471	2.8
147.04417	1.1
147.08070	0.5
147.11716	0.3
148.05179	1.5
149.06009	2.4
151.03911	8.4
151.05000	0.4
151.07568	0.5
152.04623	0.4
153.05501	0.6
157.06425	0.3
159.04411	0.4
159.08159	0.3
159.72044	0.2
160.05180	0.6
161.05984	2.0
162.06697	0.4
163.03899	0.7
163.07541	2.8
163.11215	0.3
165.05473	0.8
165.09113	0.4
167.07042	12.7
171.04402	0.4
171.06544	1.7
172.05087	0.2
173.06009	3.1
175.03903	0.5
175.07530	1.3
176.04710	0.6
177.01910	0.3
177.05472	3.2
177.09134	0.3
179.03409	0.3
179.07045	0.8
181.04958	28.2
182.05305	0.3
183.02806	0.4
185.05984	0.3
187.07573	0.8
189.05423	0.5
189.09006	0.3
191.07031	8.9
192.07712	0.6
193.04956	0.7
193.08566	0.8
195.06560	0.5
201.05421	0.3
203.07040	1.7
205.08572	2.5
207.06535	1.3
209.06158	0.3
209.08022	0.5
215.06989	0.8
219.10184	0.3
233.06087	0.3
233.08057	1.5
235.09599	2.7
248.08463	0.3
249.09027	0.3
255.06398	0.3
263.09061	0.4
264.81342	0.2
265.05142	0.5
267.10336	0.3
277.08548	0.4
278.05942	0.2
283.06052	0.4
295.09738	0.4
299.12878	0.4
305.08072	0.3
307.09500	0.3
309.11139	0.4
311.05521	6.1
313.07019	0.3
325.10550	0.3
327.12299	0.3
331.08072	0.5
337.10709	0.9
339.12320	0.3
341.13806	0.4
351.12350	1.3
352.18680	0.4
355.11649	0.6
357.13303	12.4
359.14856	0.2
369.13394	1.6
386.29358	0.5
387.14389	38.4
387.22577	1.1
388.14716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1431
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.68433	0.3
53.03942	0.7
55.01853	1.1
55.05496	0.5
64.62302	0.3
65.03927	1.8
66.04702	0.4
67.05476	1.2
69.03414	1.0
69.07043	0.5
69.89674	2.3
71.04977	0.6
72.08154	0.5
79.05466	1.2
81.03395	0.6
81.07033	2.1
82.04173	0.5
85.02895	1.6
85.06530	0.8
91.05475	2.2
93.03408	0.5
93.07026	1.2
94.04177	2.3
95.04935	1.4
95.08585	1.1
97.02907	0.5
97.06513	2.3
101.06031	0.3
103.05455	2.5
105.03410	0.4
105.07008	1.0
107.04967	1.7
107.08570	1.3
109.06518	0.4
109.10125	1.3
110.03641	0.8
111.04399	0.6
115.05451	2.1
117.07032	1.7
118.04189	0.8
119.04873	0.6
119.08553	0.9
121.06448	0.4
121.10112	0.7
122.03634	7.6
123.04403	1.6
123.08054	0.6
125.06031	0.7
127.03857	0.4
129.06960	0.5
131.04903	2.5
133.02795	0.5
133.06473	0.6
133.10133	0.9
134.03615	0.3
137.05962	100.0
138.03099	0.4
138.06277	1.3
141.05334	0.4
142.02548	0.5
143.04909	2.6
145.06473	2.8
147.04401	0.7
147.08087	0.5
147.11604	0.4
148.05186	1.4
149.05952	0.7
149.09587	0.4
151.03882	9.0
151.04982	0.5
151.07521	0.5
153.05435	0.7
155.06038	0.5
161.05945	1.5
163.07545	3.2
163.11246	0.5
165.05423	0.4
165.12672	0.3
167.07019	12.7
171.06523	1.7
173.05972	3.5
175.03941	0.5
175.07492	0.9
175.14821	0.4
179.07048	0.4
181.04938	24.6
187.07605	0.5
191.06998	9.3
193.08650	0.5
203.07086	1.6
205.08559	2.4
207.06519	1.0
207.10080	0.4
209.08081	0.8
233.08092	1.5
235.09631	2.1
248.14676	0.4
263.09305	0.4
264.07938	0.3
265.08536	0.5
277.08423	0.4
295.09705	0.4
299.09259	0.4
309.11206	0.4
327.08694	0.5
341.14362	0.4
351.12158	0.8
351.25394	0.3
355.11673	0.5
357.13287	12.1
369.13385	1.3
387.14413	35.0
387.19653	1.4
388.14792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70803	0.6
51.02545	0.6
54.89175	0.5
55.05494	1.8
57.03429	1.1
59.10925	0.6
65.83559	0.6
67.05503	3.5
69.07050	1.5
70.39114	2.1
71.04978	0.7
73.18193	0.5
79.05490	3.0
81.07048	5.2
82.07371	0.7
85.06537	2.1
91.05453	3.1
93.07027	3.7
94.07307	0.7
94.74732	0.6
95.04973	1.2
95.08593	4.5
96.08950	0.9
97.06509	0.7
97.10130	0.6
105.07010	2.9
107.04990	0.7
107.08566	3.4
109.10146	2.2
110.96735	0.7
117.07009	1.2
119.08581	2.3
120.08871	0.7
121.02882	0.7
121.10110	3.1
122.10490	0.8
123.04417	0.7
123.08035	1.1
131.08595	0.9
133.10127	2.2
135.11679	1.7
137.05934	0.9
145.05084	0.6
145.10078	1.0
147.11664	2.0
149.13225	0.8
159.11655	1.1
161.13164	1.3
163.14784	0.6
187.14709	0.8
188.38934	0.6
191.17859	0.7
215.03265	1.2
225.09117	0.8
233.04678	0.9
241.19537	0.8
251.07039	3.6
259.20557	1.6
269.08057	2.1
277.21558	0.7
329.08017	1.0
333.07492	2.5
343.09781	1.6
345.07370	1.1
345.11172	1.3
351.25275	2.0
354.08817	2.0
355.09561	1.0
357.07571	3.6
359.08755	1.0
369.11227	13.8
371.09155	10.0
372.09833	5.4
386.12509	0.6
386.35297	1.0
387.12222	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	387.1436
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
55.01875	1.0
55.05469	0.9
61.29845	0.7
62.47329	0.8
67.05492	2.4
69.07046	3.4
74.47401	0.8
79.05477	3.6
81.07028	3.1
82.04171	0.9
85.02887	1.3
91.05457	1.4
93.03419	1.1
93.07042	1.4
95.04942	2.0
99.31467	0.9
105.07004	1.9
107.04926	3.6
109.02869	1.9
109.10128	1.6
111.04464	0.9
119.08559	1.5
121.02834	1.3
121.10158	0.8
123.04432	2.2
123.11706	0.9
127.03922	1.1
130.87210	0.8
133.02803	1.4
133.10127	1.3
135.04414	4.9
137.05966	11.4
138.03117	16.0
139.03915	2.7
145.06454	1.3
147.04480	0.9
149.05969	1.2
151.03917	2.7
153.05458	100.0
154.05775	1.4
157.10190	0.9
159.11778	0.9
163.03911	13.1
165.01854	2.7
165.05478	1.7
167.07045	2.7
169.04994	2.1
175.07518	1.0
177.05513	1.3
179.03380	27.4
179.06892	1.1
181.04951	1.9
182.10522	0.7
183.02882	3.3
189.07321	0.9
191.03436	8.5
191.07019	1.2
193.04939	2.1
193.08490	0.9
203.80611	0.9
209.04419	0.9
212.03201	0.9
219.10112	2.3
235.09630	1.3
247.09665	3.9
253.05067	1.9
270.05136	2.1
281.04523	1.2
285.07654	3.6
298.04822	5.0
299.05368	1.1
303.08618	1.6
311.05457	1.1
312.05804	2.6
313.06943	30.7
331.05164	0.5
331.08112	19.4
369.13287	6.7
387.14371	50.5
388.14877	2.1
399.72946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	27.6
57.03436	22.3
67.05504	86.1
69.07065	19.4
69.64095	11.1
69.64501	41.7
76.98825	6.4
79.05483	68.2
81.07055	84.1
83.08607	17.4
85.06537	12.7
91.05477	49.7
91.51519	6.1
93.07037	100.0
95.04939	12.6
95.08596	70.2
97.06545	9.9
97.10185	10.1
99.08077	7.5
105.07021	62.0
107.08587	65.1
108.08149	5.8
109.06504	13.2
109.10144	30.2
117.07034	18.7
119.04942	5.7
119.08553	42.7
120.29718	7.7
121.10143	46.2
121.86766	6.1
123.08042	10.1
123.11722	10.7
125.09599	8.0
128.06259	7.8
129.06989	9.4
131.08569	28.8
133.10095	36.8
135.11673	37.1
137.06004	7.0
143.08533	11.9
145.10115	24.4
147.11714	40.6
149.13263	18.9
157.10114	16.3
159.11702	25.1
161.13203	18.1
171.11630	7.7
172.74617	6.3
173.13306	14.9
177.12828	9.5
179.06131	6.4
185.13165	8.2
187.14847	12.5
199.14903	9.7
201.16364	7.4
205.15857	7.8
231.10323	6.6
236.04535	7.4
241.19470	18.7
259.20532	39.1
277.21619	27.6
343.92267	6.8
351.25330	58.8
386.27780	12.2
390.81522	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	386.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01863	6.0
55.05488	2.2
56.96573	1.2
57.03433	16.7
59.05001	1.3
61.02926	14.1
68.38853	1.0
69.03425	30.9
69.07082	1.4
70.06590	7.3
71.01338	3.0
71.04990	2.0
71.62029	1.0
71.62473	1.3
72.08150	13.8
73.02912	73.0
79.05466	1.1
81.03411	6.6
81.07022	1.1
84.04480	1.6
84.08127	7.5
85.02898	100.0
86.09692	3.8
87.04476	4.7
89.10775	2.2
91.03935	5.6
91.05457	2.3
93.48554	0.9
95.04949	1.8
97.02884	55.1
98.06054	2.6
98.09642	2.0
99.04451	3.5
101.83527	0.9
103.03953	2.8
103.05403	1.2
106.08920	1.0
107.04939	1.6
109.02864	8.4
110.07151	1.9
112.07644	1.2
115.03925	27.2
115.08707	1.3
116.98528	1.0
119.04928	2.7
120.08101	3.5
121.02865	2.1
124.07554	1.4
127.03905	38.7
128.04271	1.0
129.10245	1.7
133.04951	39.5
133.06477	2.1
134.99667	1.0
136.07591	2.2
137.05963	1.4
138.09105	1.9
140.07146	1.2
141.51787	0.9
145.04951	58.1
147.04408	9.7
148.04785	1.1
150.07617	3.2
152.07101	1.3
157.05070	1.3
163.06009	29.3
163.07387	2.0
167.07080	2.2
171.10165	1.7
177.05585	1.0
181.04910	1.4
188.06926	1.1
193.04994	1.5
199.06013	1.9
207.06480	1.1
207.12126	1.2
217.07045	2.3
218.11813	1.3
223.05978	6.7
224.12787	1.2
235.14290	2.3
237.13286	9.0
241.06950	8.7
253.13490	1.3
259.08087	15.2
277.09280	2.5
281.08090	1.1
295.10303	7.2
299.13901	1.0
302.01205	1.0
341.14896	1.5
382.27713	0.9
386.20874	1.6
387.16153	2.7
406.55890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01876	2.4
55.05508	13.1
57.03444	2.2
57.07071	3.8
63.88202	1.2
67.05505	24.3
69.03426	3.6
69.07066	22.3
70.79813	2.1
70.80157	1.6
71.04993	14.4
79.05492	14.8
81.03420	1.7
81.07053	54.0
83.04990	2.3
83.08616	9.2
84.35731	1.1
85.06541	100.0
91.05470	11.0
93.07046	33.9
95.04971	4.1
95.08604	92.8
96.08952	1.4
97.02903	1.4
97.06533	5.9
97.10198	6.0
99.08107	1.9
105.07021	17.5
107.04960	1.7
107.08592	48.0
109.06542	3.4
109.10156	39.0
109.10916	1.8
111.08075	3.3
111.11693	1.4
117.07025	2.7
117.58099	1.0
119.04966	1.1
119.08580	18.6
121.06499	1.6
121.10140	43.7
123.04440	3.4
123.08035	1.6
123.11684	9.5
125.09653	6.2
131.08551	3.2
133.06477	2.2
133.10124	12.8
135.08061	1.2
135.11687	26.5
137.06003	2.2
137.13269	8.1
143.08537	1.8
145.06512	1.5
145.10141	5.2
147.04482	2.3
147.11676	10.9
149.09618	1.6
149.13251	17.1
151.14862	3.0
153.01822	9.7
157.10120	2.0
159.11711	7.6
161.06027	2.7
161.13234	8.6
163.11255	1.7
163.14821	10.0
167.07028	6.7
167.14366	1.1
171.02910	4.1
173.13260	2.6
175.11174	1.1
175.14769	6.4
177.16362	16.9
179.03365	1.5
179.14275	1.9
181.15878	3.5
187.14824	2.8
189.16365	10.1
191.17941	78.3
192.18364	2.5
193.08632	4.4
193.15880	6.3
195.17424	8.9
201.05453	6.2
201.16357	2.6
203.17940	10.0
205.08603	2.1
205.19534	4.0
215.17821	1.2
217.19530	13.2
231.21127	1.8
243.21002	1.4
257.19028	1.6
257.22836	2.8
275.20050	5.7
277.08560	1.3
293.52725	1.2
298.04782	4.0
299.05441	1.4
299.27426	1.1
313.07117	10.2
337.07166	1.0
349.23560	2.4
354.14502	1.4
367.11819	4.8
367.24796	2.6
385.12808	29.1
385.29196	12.3
385.34653	36.2
386.13113	2.9
386.34818	1.9
389.70633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	7.1
57.07059	6.4
63.46732	2.2
67.05498	17.4
68.14848	2.3
69.07054	14.4
71.63105	3.4
72.99925	2.2
74.11205	2.1
76.74982	2.1
79.05478	6.9
81.07052	60.1
83.08600	4.4
91.05452	2.2
93.07043	16.5
93.97247	1.9
95.08599	100.0
97.06503	3.5
97.10169	4.5
105.07029	10.2
107.08592	23.3
109.10155	28.9
119.08605	12.6
119.80664	2.1
121.10142	18.2
123.11706	18.8
131.08545	2.4
131.37753	2.1
133.10101	9.0
135.11668	16.1
137.13245	66.9
138.14970	2.1
145.10110	5.9
147.11679	11.6
149.13235	11.1
151.14790	6.8
159.11707	5.0
161.13307	11.0
163.14764	11.8
165.12762	3.8
165.79123	2.0
173.13326	2.6
175.14787	6.6
177.16428	6.7
179.14265	8.1
179.17982	2.9
183.93239	2.2
187.14749	6.4
189.16406	7.2
191.17911	3.9
203.17953	5.8
214.83426	1.9
215.17877	6.6
217.19485	22.4
229.19496	6.0
233.18979	3.5
235.20567	4.2
243.21014	4.5
247.20610	2.6
367.33640	15.5
385.30197	4.3
385.34674	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	385.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43124	0.8
55.01852	4.0
55.05504	8.5
56.01366	1.1
56.96564	5.4
57.03426	5.5
61.02926	6.2
66.29306	1.1
69.03113	1.1
69.03419	11.0
69.43594	1.5
69.43993	8.0
70.06583	13.6
71.04984	2.9
72.04507	1.1
72.08150	100.0
73.02922	7.4
77.72960	0.8
81.03398	2.3
81.27398	0.9
84.04482	1.1
85.02422	1.5
85.02901	23.3
86.03217	0.9
87.04435	1.8
89.10250	1.8
89.10785	32.2
91.03917	1.2
91.05479	2.3
93.03366	4.8
93.23326	0.9
95.01314	3.4
97.02882	10.0
98.06048	40.4
98.97572	5.2
99.04430	2.3
101.02367	1.0
105.07059	1.1
107.04939	4.8
108.24921	1.0
109.02870	3.2
110.07161	1.7
114.09164	12.6
115.03871	1.3
115.08685	30.0
116.98615	5.2
117.06994	1.6
119.01856	3.5
119.04938	30.2
121.02852	4.0
121.06508	2.7
122.05989	1.0
123.04409	2.1
127.03918	7.6
128.02269	1.3
128.98581	1.9
131.00146	0.8
131.01904	1.4
131.04912	1.9
131.08542	2.9
133.03481	1.3
133.06473	3.5
134.02522	0.9
134.99641	3.7
136.06128	1.9
137.02882	0.9
138.05453	1.1
141.06975	2.6
143.00166	1.2
143.01790	1.1
145.04955	3.8
145.06462	8.8
146.99634	2.7
147.04390	48.7
147.07988	1.0
148.04739	1.0
149.01184	1.8
149.06018	1.1
150.99228	1.1
152.02324	1.2
153.68198	0.9
155.02887	1.6
157.03487	0.9
157.06476	3.2
158.99654	1.4
159.08072	6.2
160.05135	1.5
160.07518	1.9
161.01228	2.0
161.02840	2.0
161.05510	4.5
163.02643	1.5
165.00735	1.1
169.06454	6.0
170.03404	1.5
170.06017	1.4
171.04288	2.0
171.07993	2.0
172.07608	1.0
173.01274	1.3
173.02821	0.9
173.05984	6.2
175.03845	1.5
176.10732	2.0
177.00687	2.6
178.04907	3.9
181.06500	1.8
183.04916	1.4
185.03989	1.3
185.05957	2.9
187.07547	12.4
188.07025	8.0
189.00696	2.5
189.02287	1.1
189.03922	1.0
189.05473	13.4
189.55627	1.2
190.08580	1.4
191.02206	2.3
191.03894	2.8
192.05632	1.5
197.05960	9.0
198.02831	2.2
199.07541	4.9
200.04416	2.5
200.07008	4.2
201.00620	1.2
201.05516	3.5
205.04568	1.3
207.03387	2.1
207.05215	2.6
213.03326	2.5
213.05458	11.9
214.05928	1.4
214.08575	1.5
215.00172	1.1
215.07004	48.0
216.07430	1.4
217.05392	1.2
217.08534	5.7
218.11734	2.7
219.01778	1.8
219.06621	1.6
222.03819	1.6
223.06378	1.1
224.10941	1.6
225.05441	5.4
226.08597	1.3
230.08089	1.2
230.11746	10.9
231.06993	1.2
233.08124	1.8
234.06654	1.2
235.14362	8.5
237.02824	2.1
241.13432	2.3
242.07930	5.2
242.11774	4.0
243.06516	90.9
244.06790	3.0
245.05177	1.5
247.03003	1.2
247.14383	2.8
252.10536	1.0
254.07898	1.6
255.54193	1.9
257.08618	1.8
259.14420	6.3
260.12674	1.1
261.07687	1.2
264.04990	2.1
264.07623	4.8
264.54724	2.5
265.05521	1.4
267.52560	1.0
269.05536	1.4
272.06598	4.6
272.56714	4.1
274.08197	1.6
275.06030	1.1
277.15494	10.8
279.05396	4.3
281.07162	1.3
284.12787	4.1
288.07755	4.6
288.57941	1.4
294.05777	1.2
294.56177	2.0
295.14340	1.5
296.12762	5.9
301.15375	8.4
311.06442	1.4
313.15442	6.6
314.13712	8.6
319.12711	1.4
319.16501	25.0
320.16794	1.2
331.16498	48.7
332.15070	4.1
349.17548	35.2
367.18585	41.3
368.18811	1.2
385.19604	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	385.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47485	1.0
55.01869	1.4
55.05510	9.0
57.03417	2.8
61.02922	1.3
69.03407	2.8
70.06586	16.2
70.46475	0.9
70.78633	0.9
70.78977	2.0
72.04494	2.2
72.08147	100.0
73.02908	2.0
81.03417	1.0
85.02890	8.7
88.78013	0.8
89.10786	30.4
91.05457	3.3
93.03390	5.7
95.01339	4.1
97.02873	1.9
98.06042	39.7
105.07014	0.9
107.04949	4.4
114.09160	11.2
115.08686	27.8
119.01787	1.2
119.04935	26.6
121.02821	4.9
121.06491	2.6
122.05997	1.5
123.04408	2.5
127.03862	1.4
129.95158	0.8
131.04907	3.1
131.08566	1.9
131.11794	0.9
133.06464	4.1
134.02664	0.9
136.04007	0.9
138.05550	1.2
141.06984	3.2
145.05280	1.3
145.06451	8.2
147.04395	44.4
148.04730	1.5
149.05934	1.5
157.06487	3.3
159.08029	7.3
160.07503	2.2
161.05956	3.4
165.05496	0.9
169.06461	8.5
169.92612	0.8
171.04355	2.0
171.08020	2.2
173.05965	7.0
175.03865	1.8
175.07515	1.1
176.07097	1.4
176.10693	2.0
181.06445	1.2
185.05998	1.5
187.07520	12.2
188.07048	10.2
189.05470	11.0
190.08588	2.4
197.05952	8.6
199.07535	5.7
200.07069	4.2
200.10735	1.0
201.05386	3.5
207.05206	1.3
213.05440	9.6
214.08595	1.3
215.07019	46.0
216.05632	1.6
217.08521	5.7
218.08281	0.9
218.11655	4.4
219.06499	2.8
225.05548	4.1
226.08720	2.0
230.11732	14.0
233.07991	1.1
235.14378	6.4
241.13322	2.1
242.08061	5.6
242.11745	4.1
243.06506	75.5
244.06937	1.8
244.09517	1.3
247.14360	2.8
254.08203	1.3
259.14514	5.7
260.09122	2.1
260.12842	1.2
261.07626	1.2
277.15463	12.2
279.07318	1.0
284.12839	3.5
288.07736	2.5
288.57922	1.3
295.14346	1.3
296.12802	5.9
301.15411	8.6
302.13638	1.8
311.06244	1.2
313.15448	10.8
314.13718	6.9
319.12802	0.6
319.16464	19.4
331.16473	42.1
332.14508	4.6
349.17554	31.1
350.16418	1.0
367.18613	40.9
368.18842	1.4
385.08743	11.6
385.15952	0.8
385.19687	12.1
386.08716	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	385.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01868	0.6
55.05500	1.3
56.67621	0.4
56.67880	0.4
57.83498	0.4
64.67662	0.4
65.03939	1.0
66.04733	0.4
67.05504	2.0
68.05806	0.4
68.99773	0.5
69.03418	1.4
69.07062	3.0
69.36011	1.5
69.36428	3.0
79.05491	5.4
81.07054	4.2
82.04168	0.9
83.04971	0.6
84.93336	0.4
85.02891	2.5
91.05468	2.1
93.03401	1.3
93.07017	1.9
94.04196	1.3
95.04971	1.5
95.08603	0.9
97.06533	3.0
97.10197	0.6
98.20656	0.6
99.04482	0.5
105.03394	0.6
105.07008	2.4
107.04931	0.7
107.08586	1.0
109.06520	5.7
109.10139	1.0
110.03661	1.7
111.04430	0.4
115.05443	0.5
115.94000	0.4
117.07004	0.5
119.04912	0.8
119.08566	1.8
121.02826	1.0
121.06518	0.5
121.10177	0.8
121.69232	0.4
123.04400	1.0
123.08085	1.3
125.05984	8.4
127.03883	0.5
127.04855	0.4
128.06348	0.5
131.08507	0.5
133.06537	0.6
133.10091	0.9
135.08051	1.0
137.05978	6.0
138.03122	7.9
141.05486	0.5
143.08553	1.3
145.06480	0.6
145.10078	0.6
146.07283	0.4
147.04399	1.3
147.08058	1.2
149.02339	1.1
149.06082	0.6
149.55859	0.5
150.03090	3.3
151.03922	0.6
151.07509	1.1
153.05457	71.0
154.05807	1.7
159.08034	0.7
161.09671	2.0
162.03038	0.8
163.07539	0.7
164.04681	2.6
165.05464	16.5
165.06882	0.9
165.09137	0.5
165.12720	0.5
167.07040	1.5
171.08055	0.4
175.11189	0.8
176.04764	0.4
177.05493	3.2
179.03368	0.4
179.07018	11.3
179.08528	0.8
183.06458	0.5
188.08229	0.7
189.09084	1.0
191.06984	1.1
193.12234	1.1
203.10608	3.9
205.12120	0.4
206.09381	0.8
213.09277	0.6
221.11708	100.0
222.12073	5.5
226.06253	1.0
226.13736	0.4
254.05688	0.6
265.05112	0.6
269.08121	1.1
270.99469	0.4
271.05875	0.6
286.08389	0.5
293.20987	0.5
296.06424	0.5
297.07422	2.0
301.07239	1.0
301.10623	0.9
309.07486	1.1
310.07941	3.2
311.08127	8.2
313.06787	0.6
314.07718	0.7
316.09296	0.7
328.08627	0.7
329.10083	11.6
330.10126	0.7
385.16281	3.7
385.23837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1278
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
50.66725	0.4
53.03951	0.6
55.01862	0.9
55.05496	1.3
57.03421	0.4
57.07070	0.4
57.17616	0.4
59.04987	1.3
61.64844	0.4
62.79837	0.4
65.03938	0.5
67.01848	1.6
67.05495	2.4
68.93479	0.4
68.99780	1.7
69.03423	5.5
69.07053	2.0
69.36702	1.0
69.37118	3.4
70.06595	0.5
71.04969	0.4
72.08160	0.4
79.05473	2.0
81.03404	0.9
81.07055	2.9
83.01344	0.5
83.04969	0.7
83.08627	0.6
85.02888	1.0
85.06528	1.3
90.56927	0.5
91.05465	2.1
93.07034	2.0
95.04951	1.3
95.08612	2.7
97.02873	1.8
97.06527	5.5
103.05454	0.9
105.07001	2.1
107.04956	1.8
107.08578	2.4
109.02869	0.8
109.06519	1.0
109.10152	1.6
114.39873	0.4
117.03348	0.8
117.07004	0.5
119.04890	0.6
119.08584	1.2
121.02867	1.4
121.06485	0.9
121.10123	1.1
123.04413	2.5
123.11693	0.9
125.05991	0.7
125.09564	0.5
129.05479	0.5
129.06981	0.5
131.04900	1.7
131.08548	0.7
131.80251	0.4
133.02834	0.6
133.06474	1.5
133.10109	0.9
134.03621	1.6
135.04384	1.7
135.11699	1.2
137.02303	1.1
137.05937	2.9
137.09618	0.7
139.03918	0.6
143.08551	0.6
147.04396	1.9
149.02361	1.0
149.06000	0.9
151.03911	1.4
151.07635	0.4
153.01810	26.0
157.10095	0.5
159.08127	0.7
160.05179	0.6
161.02292	0.5
161.05971	1.4
163.03908	3.1
163.07481	0.5
163.11189	0.7
165.01825	3.1
165.05443	0.8
167.03400	1.9
167.07042	2.7
169.06448	0.8
171.02881	10.9
173.02274	1.3
173.06015	0.6
175.03932	1.3
175.07571	0.7
177.01926	0.6
177.09106	0.7
179.03369	4.2
183.02879	2.3
186.01563	0.7
189.09026	1.0
191.03421	2.1
191.07086	0.6
193.04922	0.5
193.08578	1.4
195.02876	1.0
197.05962	0.9
199.02370	0.8
199.11008	0.4
201.05499	1.6
203.03421	1.2
205.08562	2.0
207.06624	0.5
213.00343	0.8
213.05391	0.9
214.06129	0.7
215.07013	1.3
217.04919	0.4
219.02837	1.8
219.06381	0.5
221.04373	1.0
225.05399	0.5
225.08809	0.5
229.08594	0.9
233.11884	0.6
235.07565	0.7
241.04964	1.9
242.05533	0.5
245.04405	2.8
253.04880	0.9
253.08684	0.5
259.05917	0.5
259.09634	1.9
263.05478	1.5
265.04666	0.5
265.07169	2.6
266.08777	0.5
267.06610	1.3
269.04611	0.5
269.08011	1.4
270.05200	3.1
277.08481	0.6
279.06873	0.4
281.04236	1.0
281.07996	1.5
282.05310	0.6
285.07617	1.4
287.05365	0.6
293.04520	0.7
293.08029	0.5
295.06033	1.8
295.09650	1.2
297.04068	0.6
297.07388	1.5
298.04694	26.8
299.05261	3.1
301.06937	0.8
307.09552	0.9
309.07474	1.8
310.04553	1.4
310.08051	0.6
311.05426	1.2
311.08939	1.0
311.12589	0.4
312.06430	1.0
313.07025	46.9
314.07388	1.8
315.07727	0.9
323.05594	0.7
323.09149	2.8
324.06219	0.8
325.07034	5.8
325.10718	2.1
326.07410	0.4
327.08643	1.7
334.08197	1.0
335.09100	0.4
337.07080	3.6
337.10675	0.6
338.07639	1.0
339.08575	1.7
339.12115	1.1
341.10196	1.5
349.10635	3.9
351.08557	0.6
352.09348	5.5
360.80817	0.5
367.11737	23.0
370.10135	0.7
385.12766	100.0
385.29144	3.2
386.13217	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
52.93950	0.8
53.03935	1.2
55.01852	2.7
55.05492	1.4
67.01861	8.5
67.05500	3.9
68.99786	3.6
69.03406	2.4
69.07054	7.1
71.07909	2.2
74.93678	0.8
78.19331	0.8
79.01831	0.8
79.05493	5.8
81.03410	2.1
81.07038	4.1
83.04967	1.7
85.02863	1.5
85.06513	1.8
89.03919	1.6
91.05492	2.9
93.07031	2.9
95.04959	2.4
95.08609	3.1
97.02878	2.2
97.06528	14.1
105.03389	1.0
105.07027	2.5
107.04951	1.9
107.08578	2.8
109.10156	1.6
111.00821	2.1
117.03419	2.1
117.07020	0.8
119.04939	1.4
119.08533	0.8
121.02885	1.2
123.04421	11.1
125.02302	1.3
127.03928	1.5
129.28065	0.9
131.08492	1.0
133.06456	1.4
133.10118	1.4
134.03667	1.4
135.04416	6.4
135.08008	1.0
136.05156	1.1
137.02374	2.3
137.05965	4.3
145.02823	5.0
145.06493	1.7
145.10139	0.9
147.04402	4.7
149.02377	1.3
149.05974	1.2
150.03061	1.2
151.03860	1.4
153.01819	98.6
154.02269	1.0
159.04477	1.4
160.05170	1.0
161.02332	1.2
161.06038	1.0
163.03889	20.6
163.07565	1.3
165.05438	1.7
166.02585	8.1
167.07004	2.0
171.02882	52.2
172.03294	1.1
173.02339	1.7
173.06004	4.0
175.03786	1.1
175.07495	1.4
179.03389	16.5
189.09128	2.2
193.08614	1.4
200.04691	1.6
201.05389	1.0
201.09074	1.4
203.03395	3.2
203.06886	1.2
205.08539	1.6
213.05515	1.1
215.07080	3.1
215.10629	6.6
221.04538	1.2
229.04529	0.9
231.06602	1.9
241.08545	5.1
259.06067	2.0
259.09683	7.4
269.04443	1.2
270.05313	1.7
271.05859	1.1
281.08118	1.5
287.05478	5.3
287.24658	0.8
288.06177	2.0
289.06839	0.9
292.07416	1.5
298.04681	1.5
299.05548	3.2
309.07532	30.3
310.07962	1.6
313.06989	3.0
319.06161	1.4
320.06873	2.9
325.07050	4.5
327.08646	12.6
334.08585	1.2
337.06979	10.2
339.08319	1.1
341.10220	3.4
349.06665	1.3
349.10611	9.1
352.09363	3.6
367.11740	100.0
368.12173	5.4
385.12814	71.0
385.23553	3.3
386.13290	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
51.54941	0.2
55.05474	0.3
56.96523	0.3
57.03426	0.2
57.07029	0.2
59.04956	0.9
65.03921	0.2
67.05453	0.8
69.03401	0.4
69.07029	0.6
69.91282	0.7
69.91692	0.3
71.04948	0.3
72.08107	0.3
79.05455	0.5
81.03378	0.2
81.07009	0.8
84.08102	0.2
84.95987	0.2
85.02854	0.4
85.06490	0.3
87.25034	0.2
87.46232	0.2
91.05434	0.5
93.06979	0.5
95.04939	0.3
95.08544	0.7
97.02830	0.4
97.06497	0.3
97.10177	0.2
97.10839	0.2
98.21517	0.3
98.97557	0.3
105.06977	0.5
107.04913	0.4
107.08569	0.4
109.10117	0.4
116.98586	0.3
117.03357	0.4
119.08512	0.4
121.06449	0.2
121.10080	0.5
131.08508	0.2
133.02834	0.4
133.06491	0.2
133.10115	0.2
134.03635	1.5
135.04350	0.2
135.11655	0.3
137.02292	0.3
137.05930	0.3
147.04419	0.2
147.11679	0.2
148.50540	0.2
149.02289	0.4
151.03879	0.4
151.11115	0.2
153.05458	0.2
161.05884	0.4
163.03752	0.2
165.01810	0.6
167.06970	0.5
169.06410	0.3
174.24274	0.2
176.01039	0.2
177.01880	0.2
183.02910	0.4
189.05511	0.2
192.07645	0.2
193.04980	0.3
194.02118	0.5
197.05945	0.7
201.03134	0.2
201.05418	0.3
203.03279	0.4
205.08577	0.4
213.05365	0.6
214.06209	0.4
221.04430	0.6
225.05431	0.7
229.08577	1.0
236.06760	0.3
237.02885	0.2
237.05376	0.3
239.07036	0.3
241.04922	1.7
242.05667	0.7
253.04892	0.7
254.05597	0.2
255.06570	0.4
265.04941	0.5
267.06445	0.9
269.04407	0.9
269.07877	0.3
270.05197	3.2
271.05838	0.4
281.04419	1.1
281.08017	0.7
282.05225	0.6
285.07526	1.1
286.04788	0.3
292.07227	0.3
293.04419	0.8
295.05933	1.3
295.09189	0.3
297.04108	0.4
297.07559	1.1
298.04691	28.1
299.05093	1.2
301.07043	0.7
307.09540	0.5
309.07547	2.2
310.04590	0.9
310.07889	0.3
311.05466	1.0
312.06412	1.1
313.07025	47.3
314.07339	1.8
317.07733	0.3
319.05795	0.3
320.06738	0.5
323.05350	0.4
323.08945	0.3
324.06247	0.6
325.07047	5.5
325.10516	0.5
326.07373	0.3
327.08707	1.4
334.08420	0.9
335.08923	0.5
337.07034	3.3
338.07922	1.1
339.08902	0.4
339.12320	0.8
343.08292	0.4
344.08246	0.3
349.10828	1.1
351.08551	0.5
352.05011	0.2
352.09348	4.7
353.10104	0.4
367.11725	13.1
368.12094	0.5
370.10538	1.1
385.12790	100.0
386.08447	0.4
386.13113	4.9
399.14645	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	385.1279
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
55.05500	1.0
67.05487	1.7
69.07058	0.6
71.29161	0.3
72.11446	0.4
77.16209	0.3
79.05478	0.8
81.07040	1.5
83.08605	0.4
85.06545	0.5
91.05453	1.1
93.07034	1.3
95.08588	1.0
97.02876	0.4
97.10165	0.5
98.20648	0.7
98.69064	0.4
105.07010	1.2
107.04929	0.5
107.08582	1.0
109.10150	1.0
117.06999	0.4
119.04951	0.4
119.08572	0.7
121.10117	0.7
123.04412	0.5
125.09628	0.4
133.10069	0.4
134.03635	1.1
135.08012	0.4
135.11662	0.6
137.02393	0.6
137.06033	0.7
145.06528	0.6
155.90642	0.4
163.14709	0.4
165.01840	0.4
167.07027	0.6
191.10638	0.4
192.90016	0.4
193.08479	0.5
194.02069	0.4
196.43921	0.4
200.04648	0.5
201.05482	1.4
203.03410	1.7
205.08575	0.5
218.05646	0.5
219.06503	0.6
221.04341	2.2
226.06160	0.4
235.07544	0.5
236.06772	1.3
237.05472	0.5
241.04984	1.0
253.05035	1.1
253.08498	0.7
263.07074	0.8
265.04813	0.7
267.06467	1.8
269.08038	0.7
270.05185	1.2
277.08459	0.5
278.09167	0.5
281.05249	0.5
281.08072	2.6
282.05109	1.1
283.09592	0.4
286.04993	0.4
289.08624	0.4
291.06189	0.4
292.07156	0.6
293.04419	0.6
293.08099	0.7
293.11429	0.4
295.05963	1.5
295.09616	1.4
296.10443	0.8
297.07541	2.1
298.04721	10.6
299.05200	0.6
300.05875	0.4
301.07114	0.5
306.08594	0.5
307.09698	0.5
309.07498	5.3
310.04706	1.4
310.08032	0.9
311.05554	0.6
311.12888	0.6
313.07040	20.8
314.07352	1.1
317.08157	1.0
319.06097	0.9
320.06805	1.4
321.07446	0.4
321.11157	0.8
323.05530	1.6
323.09109	0.8
324.06183	1.2
325.07037	4.1
325.10745	1.3
334.08386	3.4
335.09198	1.4
337.07062	10.5
338.07758	2.9
339.08557	1.4
339.12057	1.3
349.06717	0.4
349.10568	2.5
350.23941	0.6
351.08533	1.2
352.09378	15.9
353.09589	0.8
367.11740	100.0
368.12070	5.5
385.12689	5.3
385.16959	0.5
385.23645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
53.03930	0.6
55.01859	0.9
55.05502	1.9
57.03430	0.6
57.07072	0.7
67.01857	4.2
67.05496	3.3
68.99792	2.9
69.03416	2.8
69.07059	3.6
70.28249	1.9
71.04965	1.3
75.04460	0.4
79.05476	2.4
81.03407	1.1
81.07047	6.0
83.04971	1.2
83.08614	1.6
84.08115	0.7
85.02900	1.3
85.06540	9.3
86.09715	0.4
87.25258	0.4
91.05450	2.6
93.07038	4.5
95.04942	1.3
95.08038	0.8
95.08599	9.7
97.02849	2.2
97.06535	3.4
97.10152	0.6
98.21375	0.6
99.08104	0.5
101.96218	0.4
103.05447	0.5
105.07014	3.5
107.04935	1.0
107.08583	5.9
109.02858	0.5
109.06509	0.7
109.10164	4.7
111.00777	1.0
111.04457	0.5
115.05435	1.6
116.12955	0.4
117.07025	0.7
119.04919	1.0
119.08572	3.0
121.06483	1.4
121.10147	5.0
123.04423	3.8
123.08075	0.5
123.11702	1.7
125.09583	0.7
127.03908	1.2
128.06197	0.8
129.06961	0.8
131.08565	1.2
133.06448	0.9
133.10112	1.9
135.07999	0.5
135.11678	2.9
137.02318	0.8
137.05968	1.7
137.13260	0.7
139.02896	0.8
139.03882	7.6
141.06960	0.9
143.04842	0.5
143.08511	1.0
145.06448	0.8
145.10139	1.4
147.04395	1.9
147.08015	0.6
147.11671	2.0
149.05962	1.3
149.09602	0.6
149.13228	1.9
151.03900	1.6
153.01814	100.0
154.02122	1.6
155.03320	0.6
157.06470	0.6
157.10052	0.6
159.07996	1.0
159.11734	0.6
160.05190	2.2
161.02409	0.5
161.05975	8.1
161.13284	1.0
163.03867	1.4
163.14861	1.1
165.05449	0.5
167.07024	2.3
167.08392	0.8
167.38583	0.4
169.01291	0.5
169.04967	1.1
169.06328	0.5
169.10159	0.4
171.02875	15.7
173.02327	0.7
173.06017	1.8
173.13205	0.6
175.03900	0.8
175.07562	2.3
175.14677	0.5
177.05490	0.7
177.16438	1.0
179.03392	3.7
181.01329	1.2
181.04984	0.9
181.06505	0.7
181.08549	0.6
181.15800	0.6
185.06006	1.6
185.09650	0.7
186.06761	2.7
187.07512	2.5
187.14842	0.7
189.07425	0.6
189.09111	7.5
189.16394	1.4
191.10606	0.5
191.17955	5.7
193.06779	0.4
193.08502	1.0
193.15883	0.9
195.02866	0.5
195.08093	0.7
195.17435	0.7
197.05957	0.5
199.02397	1.9
199.07516	1.0
201.05405	1.3
201.09074	0.6
203.06985	0.9
203.10565	0.6
203.17946	0.8
205.05037	0.4
205.08585	1.0
205.19484	0.6
207.06432	0.8
213.00307	2.1
213.05644	0.6
213.09085	1.5
215.06952	1.2
215.10629	2.5
217.08636	2.8
217.19481	1.4
219.10107	0.4
226.06316	0.8
231.10208	1.8
233.11713	1.0
241.05003	0.5
241.08580	1.3
247.05977	1.5
253.05135	0.5
259.09647	8.3
265.06973	6.1
278.51776	0.6
279.06448	2.6
281.08279	0.5
283.09637	3.0
287.05246	0.5
293.08380	0.5
295.06003	8.2
295.09311	0.8
296.06802	0.6
297.07681	0.5
298.04703	0.8
309.07428	1.2
311.05396	1.6
313.07101	2.3
313.10336	0.6
321.11386	0.5
323.09091	0.7
325.07205	1.1
325.10678	19.0
326.11157	1.1
337.07040	1.6
339.12213	2.8
341.10233	1.6
343.11716	0.7
349.10406	0.6
349.23590	0.6
352.09381	1.1
367.11749	11.5
367.15933	1.1
385.12738	11.2
385.29169	13.2
385.34586	4.6
386.13153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1279
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
53.03910	1.0
54.01702	0.8
55.01848	1.7
55.05481	1.1
55.29615	0.8
57.07065	1.2
65.03905	2.6
67.05461	3.1
68.99763	1.3
69.03398	1.9
69.07039	2.0
69.33598	8.2
79.05455	1.8
81.03388	2.4
81.07052	3.9
84.04449	0.9
85.06497	1.8
91.05437	1.6
93.03373	1.4
93.06992	2.8
95.04951	4.1
95.08596	3.7
97.02853	1.9
97.06478	1.2
103.05424	1.0
105.03374	1.1
105.06980	2.9
107.04891	2.2
107.08552	3.0
109.02887	0.9
109.06467	1.1
109.10114	2.3
111.04399	1.2
117.06982	1.4
119.04828	0.9
119.08527	2.5
121.02856	8.9
121.06459	1.2
121.10130	1.1
123.04374	3.0
125.09599	1.1
127.03793	0.9
129.06946	0.7
131.08446	1.0
133.06427	2.1
134.03569	2.6
135.04359	2.0
135.08105	0.9
135.11652	1.7
137.05968	1.1
139.03879	0.8
144.05664	0.9
145.10056	1.4
147.04344	1.1
147.07962	0.9
149.02338	16.4
149.09570	0.8
151.03896	1.3
153.05376	1.0
159.08009	1.4
159.11642	1.1
161.02292	2.9
161.05898	1.6
163.03787	1.3
165.01846	1.1
165.09071	0.8
167.03412	6.7
167.07013	3.7
169.04921	2.7
169.96808	0.7
171.07979	0.9
177.05338	0.9
179.03392	46.7
180.03670	0.7
181.04922	2.1
183.02861	1.4
187.07565	0.8
190.06239	1.0
191.03329	2.1
191.07022	0.7
193.04912	3.1
193.08586	2.5
197.04448	52.6
198.04759	0.9
199.07510	0.8
201.05557	1.1
205.08548	2.4
209.05992	1.4
213.05496	2.3
215.07018	1.2
220.07344	0.7
233.08044	8.7
237.05420	2.3
243.06511	0.8
251.09509	0.8
252.04184	1.2
254.05621	0.9
265.04852	4.8
267.06525	1.1
269.11624	1.3
279.10229	1.1
280.03693	2.3
283.06015	6.8
295.05988	20.0
295.09338	1.3
296.06366	1.5
297.11237	2.8
298.04785	1.2
301.07080	2.5
309.07498	1.4
313.07040	100.0
314.07394	4.5
323.05435	0.8
323.09189	0.7
325.07031	2.6
327.08572	2.7
334.08463	0.8
337.06998	3.8
339.08591	1.4
339.12360	0.8
349.10788	4.8
352.09579	1.5
354.14609	0.8
355.11816	6.9
367.11752	96.4
368.12051	4.7
385.12799	98.8
386.13162	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1278
Annotation	Mirificoumestan hydrate
Peak:m/z	Relative Intensity
53.03943	1.0
53.97770	0.5
55.01856	0.8
57.03425	0.6
67.05489	1.5
69.03423	0.8
69.07040	0.6
70.89411	1.2
70.89746	1.1
79.05484	1.0
81.03406	4.5
81.07046	2.0
83.04963	3.4
83.08578	0.7
83.36094	0.6
85.02920	0.9
85.06528	0.6
93.07034	0.9
93.60240	0.6
94.90633	0.6
95.04941	1.4
95.08590	1.2
97.06528	1.4
99.00797	0.8
101.01817	0.6
105.07013	1.7
107.04922	1.5
107.08552	0.9
109.02211	0.4
109.02873	10.2
109.06537	0.6
109.10189	0.8
111.04427	2.3
119.04948	0.6
119.08584	1.3
121.02893	0.8
121.10204	0.7
123.04407	0.8
131.08621	0.6
133.10136	0.9
135.04433	2.3
137.05952	0.9
149.02345	1.2
153.01816	0.8
153.05478	2.9
153.06613	0.5
159.11649	0.9
163.07516	1.0
173.09532	0.6
177.01802	7.9
179.03456	0.9
181.06509	1.0
193.08681	0.7
195.02881	40.8
196.03233	0.8
199.50999	0.5
201.09111	0.6
209.06004	1.0
211.03914	1.7
219.10141	0.7
237.05458	2.0
265.05045	0.7
275.20096	0.9
293.04431	71.5
294.04840	3.6
311.05475	100.0
312.05780	4.5
334.88196	0.5
338.07507	0.6
367.11746	50.1
368.12262	2.2
385.12601	2.9
385.23547	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	385.128
Annotation	sophoronol
Peak:m/z	Relative Intensity
51.28366	0.4
53.03931	0.7
55.01863	1.0
55.05497	1.1
57.03430	0.5
57.91558	0.4
67.01857	3.5
67.05483	1.8
68.99787	3.4
69.03426	3.3
69.07048	1.0
69.59297	0.4
70.06577	1.1
71.63278	0.4
71.63634	0.5
72.08153	1.0
76.33001	0.4
79.05483	1.6
81.03405	0.7
81.07063	3.0
83.01341	0.5
83.04996	1.0
83.08585	0.7
84.08076	0.4
85.02903	1.3
85.06510	1.3
91.05477	1.9
93.03451	0.5
93.07045	1.9
95.04946	1.5
95.08588	2.1
97.02882	2.9
97.06522	1.5
99.04442	0.5
103.05466	0.8
105.07007	2.1
107.04954	1.2
107.08572	1.1
109.02862	0.8
109.06506	1.3
109.10141	1.6
111.00805	0.8
111.04406	0.6
115.05438	1.0
117.07026	0.7
119.04897	0.6
119.08578	1.2
121.02847	1.2
121.06479	1.1
121.10107	1.0
123.04398	2.8
123.08051	0.4
123.11678	0.7
125.02384	0.4
125.05932	0.6
125.09625	0.6
127.03930	1.9
127.07490	0.5
128.06239	0.7
129.07036	0.7
131.08522	0.9
133.06464	1.3
133.10115	0.9
135.04280	0.5
135.11681	0.7
137.02365	1.0
137.05952	2.0
139.03891	11.5
141.07002	0.9
142.07845	0.6
143.08542	1.2
144.05618	0.4
145.06454	0.7
145.10074	0.7
147.04393	1.6
147.08029	0.6
147.11732	0.6
149.05972	3.4
149.09584	0.8
149.13177	0.7
151.03894	1.1
153.01814	100.0
154.02164	1.6
155.03374	0.9
157.06467	0.8
157.10074	0.9
159.08028	0.9
159.11693	0.6
160.05228	2.6
161.05968	9.4
163.03850	0.6
163.07562	1.5
163.11215	0.7
165.02261	0.4
165.05368	0.4
167.07039	3.6
167.08403	0.7
168.07817	0.4
169.04970	1.1
169.06465	0.6
169.10103	0.6
171.02876	12.2
171.07996	0.6
173.06030	0.8
174.06757	0.7
175.03893	0.7
175.07535	2.9
177.05455	0.6
177.09021	0.7
179.03423	2.5
181.01317	0.4
181.05003	0.7
181.06496	0.8
185.05930	0.8
185.09592	0.7
186.06737	1.9
187.07541	2.7
189.09096	9.0
191.06961	0.8
191.10789	0.9
193.04918	0.7
193.08591	1.6
195.02986	0.6
195.08055	1.1
197.05975	0.5
199.07492	1.3
201.05466	1.3
201.09122	0.8
205.08519	2.5
207.06477	0.9
213.09100	2.6
215.07039	0.9
215.10674	3.0
217.08583	3.8
226.06204	1.0
227.07083	0.5
231.06479	0.6
231.10156	1.5
233.11711	0.6
241.08595	1.7
245.08028	0.6
255.06491	0.9
259.09622	10.2
265.07178	0.5
279.06476	2.8
283.06305	0.9
283.09628	3.2
287.05402	0.8
292.07419	0.4
295.05997	7.9
296.06793	0.9
297.07785	0.4
298.04813	0.5
309.07428	0.7
311.05527	0.8
311.09027	0.6
313.07071	1.1
313.21341	0.4
321.11215	0.6
323.09305	0.6
325.10675	25.5
326.10944	1.3
337.06931	1.1
339.08658	0.6
339.12256	3.3
341.10486	1.9
343.11533	0.5
349.07095	0.7
349.10782	0.7
349.23596	0.8
367.07980	1.1
367.11688	5.4
367.15549	1.9
367.24826	0.8
385.08051	2.0
385.12814	6.6
385.16965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96475	2.0
67.27232	0.3
69.32419	0.4
70.96786	0.4
71.60188	0.5
71.95152	0.4
82.53545	0.4
97.02787	0.7
98.97570	11.0
101.00778	0.7
116.98606	15.2
119.01902	5.6
122.97782	0.4
134.99646	14.8
137.02969	2.3
140.00154	0.4
153.00719	3.4
158.01213	0.8
177.00941	12.9
178.00948	1.5
179.00603	0.9
182.99863	0.6
195.02011	0.7
201.00887	0.9
207.92311	0.3
216.98718	0.5
217.04100	2.5
218.03795	0.6
219.01991	23.5
220.02121	3.3
221.01727	1.1
222.98285	0.4
225.00743	2.4
226.01042	0.5
234.99847	2.0
235.99998	0.6
236.99744	1.2
237.99776	0.4
240.98796	0.8
242.03531	1.0
242.98529	0.6
242.99129	0.6
243.01950	6.1
244.02074	1.0
253.00981	0.8
256.96539	0.4
258.99829	9.6
259.99988	2.6
260.99780	6.3
261.03027	100.0
261.65085	0.4
261.99994	0.8
262.03134	13.6
263.00143	0.5
263.02792	2.3
264.98944	0.4
266.03568	0.7
274.97562	0.7
275.04565	0.4
277.00854	19.1
278.00949	6.0
279.00616	16.8
280.00934	1.8
281.00476	0.7
282.01184	0.5
282.99872	6.4
283.02658	0.4
283.05984	0.4
284.00208	1.4
284.04575	5.0
284.99814	3.5
285.04712	1.1
285.99960	1.1
286.99542	0.6
295.02072	0.5
300.02374	1.3
300.97543	0.8
301.01013	17.2
302.01053	4.1
302.97589	0.4
303.00818	10.1
304.00977	2.8
305.00735	2.3
319.01974	1.2
319.98636	0.6
320.02338	0.4
321.02118	0.6
335.73853	0.4
343.02148	3.0
344.02203	0.7
344.94534	0.4
350.95648	0.8
354.93594	1.0
356.96808	1.5
357.96680	0.5
359.96408	0.8
361.02493	1.3
361.98956	0.5
367.02432	1.6
368.02213	0.5
371.96237	1.4
379.02484	1.2
380.96555	1.9
381.98361	0.5
382.48624	0.8
382.98132	0.9
383.48251	0.5
384.96024	0.6
385.03262	13.0
386.03317	2.7
391.98972	0.5
396.94965	1.2
398.97818	7.9
403.04758	18.5
404.04791	3.3
408.04904	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	383.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66618	1.7
53.87452	1.9
55.05503	5.0
57.07061	7.8
67.05499	13.3
69.07051	7.2
69.60431	15.5
71.08608	1.7
79.05509	4.4
81.07050	61.7
83.08598	4.9
91.05450	3.3
93.07047	9.1
95.05032	1.7
95.08598	97.1
97.10121	1.9
98.21469	3.5
105.07036	6.4
107.08545	11.5
109.10152	25.6
111.11717	2.2
119.08579	8.3
121.10139	7.1
121.45971	2.0
123.11697	22.8
131.08531	2.7
133.10126	5.4
135.11684	5.0
137.13245	100.0
138.13632	2.5
145.10097	5.1
147.11679	4.3
149.13228	5.7
151.14787	8.0
159.11687	5.5
161.13252	6.0
163.14835	3.1
171.11673	2.5
173.13266	5.0
174.85538	1.6
175.14819	3.6
179.17961	7.1
187.14812	5.4
195.44470	1.8
199.14786	2.5
201.16270	1.8
203.14291	3.0
203.17816	2.0
205.15884	2.6
205.19626	2.2
211.11334	1.8
211.79756	1.7
215.17960	11.0
227.17950	3.9
231.17416	6.3
233.18961	6.2
245.19023	3.6
259.20676	1.8
341.28439	3.4
365.31985	5.2
383.29129	3.6
383.33191	32.3
384.33801	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	383.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16680	1.2
55.05503	4.4
55.13504	0.9
57.07058	1.8
67.05505	9.9
69.03448	0.9
69.07064	6.0
69.43716	2.2
69.44133	8.4
79.05492	7.1
81.07052	27.6
83.08611	4.0
89.52891	0.9
89.96838	0.8
91.05474	10.8
93.07043	22.5
95.04955	2.2
95.08602	26.4
97.06511	1.6
97.10179	1.3
105.07027	100.0
107.07869	1.2
107.08594	23.0
108.62939	1.1
109.10152	11.7
117.07008	2.3
119.08580	54.9
121.06534	1.1
121.10140	14.8
123.08096	1.3
123.11694	6.2
131.08559	4.5
131.41954	1.1
133.10133	16.7
135.07986	1.4
135.11670	15.8
137.09581	1.2
137.13246	4.0
145.10106	5.0
147.11676	13.6
149.13252	10.2
157.10132	1.1
159.11697	8.7
161.13254	90.6
162.13596	2.4
163.14789	10.4
163.19292	1.0
165.08936	1.0
171.11664	1.1
173.13315	3.7
175.14816	26.0
177.12761	1.1
177.16393	4.6
179.14320	3.4
187.14816	4.5
189.16368	4.5
191.17938	17.3
193.15797	1.3
201.16510	2.5
203.17888	5.3
205.19513	1.1
215.17978	1.8
217.19562	2.2
225.59146	1.2
229.19597	2.6
233.19011	1.6
243.21222	1.7
365.31891	6.1
383.33121	41.6
384.33548	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	383.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60791	0.9
53.03933	1.3
55.05493	5.8
57.07049	2.7
67.05497	11.7
67.67072	1.0
67.81504	1.0
69.03410	1.1
69.07062	7.1
69.95246	5.6
79.05481	6.4
81.07052	26.3
83.08604	3.0
85.06528	1.3
90.17014	0.9
91.05469	10.8
93.07027	19.6
95.04978	2.8
95.08601	26.8
96.21317	0.9
97.10178	1.5
103.05483	1.4
105.07021	100.0
106.07362	1.5
107.08585	21.3
109.06567	1.2
109.10142	14.8
109.59045	1.2
111.08096	1.1
117.06992	2.4
119.08569	54.8
121.10121	12.0
123.08031	1.1
123.11700	5.0
131.08600	4.1
133.10114	15.3
135.11708	13.5
137.13235	3.7
143.08597	1.6
145.10123	6.5
147.11662	11.5
147.12619	1.1
149.13234	8.4
157.10161	1.2
159.11685	7.1
161.13240	83.5
162.13615	1.8
163.11263	1.1
163.14812	9.5
171.11678	1.2
173.11806	1.2
173.13268	4.5
175.14816	24.8
177.12784	1.8
177.16431	3.5
179.14334	3.0
185.13324	1.5
187.14841	4.3
189.16458	4.2
191.17924	16.4
199.14952	1.5
201.16415	2.8
203.17993	4.4
207.17458	1.7
208.63834	1.0
215.18042	2.3
217.19423	2.1
229.19609	1.6
233.19022	1.4
365.31989	7.0
383.11163	1.4
383.20288	1.4
383.25461	1.7
383.33154	34.3
384.33591	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	383.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22530	0.4
55.01849	0.4
55.05492	0.9
56.96545	0.4
57.03415	1.0
57.82446	0.3
59.05001	0.3
66.79136	0.3
67.05482	1.0
69.03423	1.7
69.07062	1.5
70.06575	0.4
71.03580	0.9
71.04964	0.3
72.08131	0.3
73.02886	0.3
79.05482	1.6
81.03391	0.6
81.07059	2.8
83.04971	1.0
83.08610	0.3
85.02882	0.8
85.06526	0.8
91.05469	1.5
93.07050	1.6
95.04949	1.0
95.08578	2.1
97.02842	1.5
97.06525	1.9
98.09684	0.6
98.97547	0.6
99.08085	0.5
100.11259	0.4
105.07013	1.7
107.04955	0.8
107.08554	1.7
109.02865	0.5
109.06496	0.8
109.10132	1.2
117.06995	0.4
117.90144	0.3
119.04938	0.3
119.08541	1.3
121.06479	0.5
121.10114	1.2
123.04421	1.0
123.08049	0.7
123.11700	0.3
125.06018	0.4
125.09624	0.5
129.06949	0.3
131.04887	0.5
131.08556	0.8
133.10115	1.0
134.99641	0.4
135.04379	0.3
135.11670	0.7
137.02328	0.4
137.05965	0.7
143.08553	0.7
145.10092	0.6
147.04391	1.3
147.07976	0.5
147.11653	0.9
149.02342	0.4
149.05952	0.4
149.09604	0.7
149.13246	0.5
151.07539	0.4
153.01770	0.7
153.05391	0.4
157.10068	0.3
159.11658	0.7
161.05884	0.5
163.03911	0.4
163.07549	0.4
163.11237	0.4
165.05476	0.7
165.09091	0.3
167.07034	0.7
171.11552	0.4
175.14827	0.4
177.05515	0.4
177.09120	0.4
185.05847	0.4
187.07480	0.4
187.46869	0.3
193.04988	0.4
199.07500	0.4
203.06963	0.4
205.08456	0.5
209.01620	0.3
215.07063	0.3
220.08856	0.4
237.04811	0.4
247.07654	0.7
248.08185	0.5
263.05402	0.4
273.18539	0.4
275.07010	0.4
291.10004	0.4
291.19598	0.6
292.10715	0.3
293.08081	0.6
295.06061	0.5
303.09836	2.1
307.06271	0.4
307.09705	0.7
308.10291	0.6
309.07336	0.5
311.05432	0.5
313.07065	0.4
321.07541	0.4
322.08240	0.4
323.08990	0.5
323.12692	0.8
323.34088	0.3
323.61023	0.4
327.12259	0.4
329.21332	0.4
334.71381	0.3
337.10645	0.7
339.08682	0.7
350.11609	0.4
351.12155	0.8
353.10172	0.5
353.26630	0.6
355.11673	0.8
365.10141	1.4
365.23135	0.5
365.27008	0.4
368.12735	0.5
383.10876	3.0
383.14746	3.0
383.27634	100.0
384.15332	0.5
384.27988	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03944	2.4
55.01871	3.2
55.05506	16.4
57.03426	2.2
57.07075	10.2
59.04990	5.5
65.03931	3.0
67.05505	31.3
67.87278	1.9
68.73564	1.9
69.03423	17.3
69.07063	14.7
70.41093	2.6
70.64318	4.7
70.64717	4.5
71.04972	7.8
74.21605	1.9
74.63553	2.1
79.05487	32.3
81.03432	2.3
81.07052	40.0
83.04970	9.3
83.08608	7.2
85.06538	5.9
91.05482	44.5
93.07037	93.0
95.04965	27.9
95.08037	3.6
95.08595	42.2
97.06535	17.8
105.07019	78.1
107.08578	48.1
109.06513	23.4
109.10144	24.9
111.04444	2.2
111.08081	10.3
113.09650	4.2
115.05429	3.0
116.06269	2.5
117.07011	11.3
119.04911	3.8
119.08569	49.0
121.06499	13.8
121.10135	48.4
123.08058	26.1
123.11712	5.2
125.09621	2.2
128.06224	7.9
129.06970	14.4
130.07736	4.2
131.08536	26.0
132.09349	3.3
133.06511	11.1
133.07408	2.3
133.10117	34.7
135.08041	20.7
135.11670	8.8
137.09610	11.9
141.06973	4.2
142.07779	21.1
143.08560	25.2
144.09300	7.4
145.06403	2.9
145.10104	41.2
146.07275	4.1
147.08029	23.9
147.11662	16.5
148.08809	2.6
149.09592	26.4
149.13243	3.7
151.07515	31.7
151.11108	2.2
153.09023	2.7
155.08568	8.1
155.10667	3.8
156.09322	8.8
157.10120	42.2
158.07242	3.2
158.10698	2.8
159.08031	8.7
159.11647	18.4
160.08759	3.2
161.09589	17.6
161.13246	10.4
163.11183	6.1
165.07002	3.5
165.09106	31.1
167.08496	4.7
167.10789	2.4
169.10085	14.7
170.10818	4.8
171.08012	3.9
171.11659	13.1
172.08847	2.6
173.09610	11.2
173.13251	7.8
175.11183	21.5
175.14810	8.1
177.09097	9.5
179.08611	2.6
180.81190	2.5
181.10056	2.8
181.12355	3.5
182.10905	2.9
183.11703	6.6
185.13243	16.1
187.11186	6.0
187.14830	8.8
188.11861	3.2
189.12718	10.1
191.14311	3.0
193.10081	3.6
195.11729	5.6
196.12288	2.9
197.13264	7.2
199.11197	4.0
199.14824	5.1
201.12787	9.0
203.14317	25.9
207.11922	4.0
207.13771	12.0
209.13301	6.3
209.15341	5.5
211.14844	4.9
213.12550	5.0
215.14253	12.5
216.14795	2.5
219.13803	5.2
221.13379	2.5
221.15332	73.8
222.15654	2.4
225.12762	4.1
227.14268	9.4
229.15758	2.6
231.13811	3.7
233.15359	10.2
234.16061	11.5
239.14174	3.1
239.18022	2.5
243.13773	4.9
247.14693	2.3
247.17072	2.8
253.15913	4.0
267.17419	2.6
271.16910	4.0
281.18909	3.9
286.19269	6.2
287.20016	6.4
299.20178	3.6
303.19577	9.7
309.18500	2.9
327.08676	8.7
347.23608	2.7
365.24487	15.4
383.25723	100.0
384.25885	5.9
401.86490	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	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.05499	21.7
57.07062	16.5
59.04995	9.1
67.05510	41.1
69.03419	12.6
69.07048	11.9
69.60193	45.8
71.04958	6.5
77.46452	5.7
79.05488	35.9
79.69675	4.9
80.46611	4.6
80.93925	5.8
81.03388	7.7
81.07051	56.0
83.04978	11.3
83.08639	9.5
85.06519	10.1
91.05457	43.3
93.07037	98.9
93.07612	9.1
95.04972	30.2
95.05489	5.3
95.08594	60.5
97.06522	15.1
99.04435	15.2
105.07024	87.8
107.08582	50.5
109.06502	24.4
109.10138	45.7
111.08056	8.8
116.53306	6.3
117.07010	9.4
119.08569	58.2
121.06485	16.3
121.10125	54.2
123.08039	28.0
123.11691	9.1
127.03903	6.9
128.06262	7.8
129.06953	14.3
130.07799	5.3
131.08553	31.7
133.06479	11.3
133.10126	35.6
134.03677	6.3
135.08055	21.2
135.11673	13.5
137.06003	6.5
137.09608	13.4
137.13199	5.4
141.32310	5.2
142.07782	23.7
143.08536	25.5
145.10115	46.6
147.08026	20.7
147.11711	20.2
149.09624	13.3
151.07556	34.5
155.08577	7.7
156.09241	9.6
157.10143	43.7
158.10652	6.5
159.08061	7.2
159.11691	20.4
161.09634	27.0
161.13239	10.2
165.09050	37.9
169.10089	5.6
171.11626	14.0
173.09579	13.6
173.13234	11.1
175.11137	24.8
175.14784	15.0
183.11876	6.1
184.12560	6.3
185.13240	22.3
187.14854	7.4
189.12717	14.6
195.08022	5.3
195.11676	6.2
197.13281	9.6
199.14796	7.2
201.12697	8.4
203.14282	37.4
207.13785	16.4
209.13249	7.7
213.12791	6.7
213.16373	8.1
215.14227	14.2
215.18103	5.5
219.13737	6.2
221.15331	99.5
227.14346	8.6
233.15445	8.5
234.16080	10.7
282.05286	9.9
286.19336	7.2
287.20218	8.0
297.07370	12.9
303.19571	9.1
312.06332	10.7
327.08710	54.3
327.19351	6.2
328.08676	7.3
365.24701	17.3
383.15158	12.8
383.20432	45.7
383.25699	100.0
383.29694	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03933	4.2
55.05508	14.8
56.96548	7.6
57.03405	2.6
57.07079	8.5
59.04989	6.4
66.53845	1.9
67.05166	2.6
67.05502	33.6
69.03421	14.1
69.07082	8.9
70.18120	2.7
70.18536	6.6
71.04981	7.7
74.09615	1.7
77.03929	2.1
77.78952	1.9
78.51828	2.2
79.05483	28.9
81.03429	2.8
81.07051	33.7
81.46577	1.7
83.04959	8.3
83.08631	4.6
85.06536	4.8
91.05471	41.5
93.07037	76.7
93.07623	4.0
95.04964	27.7
95.08598	38.2
97.06512	13.8
103.05458	2.1
105.07021	72.2
107.04937	2.5
107.08575	40.1
109.06511	24.5
109.10139	19.0
111.08051	9.9
115.05427	2.5
117.07004	7.9
119.04945	2.8
119.08571	52.0
119.09429	3.1
120.09412	2.2
121.06469	13.5
121.10128	39.0
123.08058	29.8
125.09596	2.5
128.06215	8.8
129.07005	13.5
131.08563	25.4
133.06505	8.4
133.10115	29.1
135.08041	18.8
135.11676	7.3
137.05978	2.8
137.09633	10.5
141.06961	4.3
142.07756	18.5
143.08542	24.5
144.09320	6.9
145.06447	2.3
145.10120	37.9
145.52705	2.1
146.07245	2.0
147.08047	17.3
147.11670	17.4
147.45227	1.8
149.09596	24.2
151.07529	32.8
153.09152	3.2
155.08516	5.5
155.10631	3.1
156.09325	7.6
157.10114	35.8
158.10796	2.1
159.07991	8.4
159.11679	15.0
160.08847	4.5
161.09616	19.4
161.13240	7.4
163.11147	4.6
165.09100	32.2
167.08571	3.7
168.09338	2.2
169.10120	5.4
170.10898	3.1
171.11687	8.4
173.09599	9.8
173.11940	2.5
173.13145	9.1
175.11176	22.5
175.14827	6.9
177.09085	10.6
178.09886	2.3
181.10078	4.4
181.12219	2.5
182.10913	4.1
183.11688	7.2
185.13252	16.6
187.11185	5.7
187.14720	3.4
189.12779	11.4
191.14293	3.4
194.10773	2.2
194.63399	1.9
195.11697	6.5
197.09602	7.0
197.13179	5.4
199.11214	3.0
199.14622	2.5
201.12733	5.6
203.14340	23.3
207.11900	3.8
207.13815	12.7
209.13371	4.0
209.15344	7.3
211.14902	2.3
213.12726	4.1
215.14223	9.8
219.11710	2.0
219.13728	4.1
221.13495	2.7
221.15343	69.9
225.12689	3.5
225.16344	3.5
227.14337	6.6
231.13774	2.4
233.15329	8.5
234.16028	9.4
237.14815	3.2
247.14709	2.7
247.17038	2.1
267.17471	2.4
271.16962	2.7
281.19043	2.3
286.19318	5.8
287.20078	11.5
299.19974	5.2
299.59534	2.4
303.19595	5.9
303.58377	2.0
309.18497	4.2
315.09479	2.4
323.09286	2.7
323.59476	2.6
335.37814	1.9
359.60922	4.5
360.11105	3.5
365.24707	15.1
371.11966	3.2
371.61722	2.9
383.11844	3.2
383.25745	100.0
384.14523	5.2
384.26047	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87731	1.8
52.57626	1.7
53.03931	4.0
55.01862	3.2
55.05511	15.2
56.96552	3.3
57.03427	4.1
57.07084	11.1
59.04981	5.7
60.63646	1.9
65.03946	2.6
67.05497	31.7
69.03419	14.5
69.07061	10.3
69.33849	6.6
69.34268	13.2
71.04993	9.6
72.09624	2.0
79.05487	27.3
81.03426	3.7
81.07050	34.3
83.04958	4.1
83.08606	3.2
85.06537	7.0
86.82926	2.1
90.55385	1.9
91.05473	35.2
93.07035	89.8
95.04962	31.1
95.08592	38.8
97.02862	2.6
97.06512	13.3
98.56960	1.8
103.05470	3.6
105.07024	70.2
107.08588	41.5
109.06525	20.5
109.10146	23.7
111.08085	11.7
115.35798	1.9
116.06217	2.2
117.07002	11.0
119.08572	54.7
121.06512	14.0
121.09296	3.7
121.10135	47.1
122.07258	2.0
123.08054	26.8
123.11691	3.4
128.06195	6.7
129.06967	10.9
130.07799	5.5
131.08548	28.0
131.87372	2.1
133.06517	8.8
133.10123	29.3
135.08037	21.9
135.11703	4.6
137.05966	2.9
137.09596	11.6
138.88159	1.8
141.06972	4.0
142.07771	17.0
143.08536	25.2
144.09340	4.4
145.10117	35.1
146.07216	5.0
147.08028	24.7
147.11662	16.0
148.08736	3.2
149.09605	28.4
149.13206	2.6
151.07536	37.1
151.08656	3.3
153.09093	3.8
155.08560	6.8
156.09364	9.8
157.10123	38.2
158.10826	3.2
159.08101	9.3
159.11687	17.7
160.08780	2.4
161.09625	19.7
161.13275	9.4
163.11191	7.4
165.09102	40.2
167.08540	2.7
169.10048	5.7
170.10901	5.6
171.11668	7.7
173.09621	11.2
173.13254	8.1
175.11156	20.0
175.14803	9.3
177.09094	13.5
178.09814	3.9
179.14290	2.2
181.10136	2.9
183.11688	6.1
185.09651	3.5
185.13213	15.7
187.11223	5.3
187.14835	3.4
189.12750	9.6
191.14319	4.1
191.75182	1.8
195.11684	4.7
197.13298	5.1
199.11253	4.2
199.14804	4.2
201.12691	10.7
203.14307	31.2
207.11870	4.3
207.13846	11.6
209.13248	5.0
209.15341	6.7
211.14749	3.3
213.12772	4.8
213.16415	3.1
215.14246	9.4
216.15048	2.8
219.13820	7.4
221.13371	3.8
221.15347	100.0
223.14958	2.2
225.12779	3.4
225.16336	2.9
227.14368	6.9
231.13811	4.6
233.15376	8.3
234.16127	13.5
237.14777	4.4
243.13931	3.6
249.16411	2.1
279.17395	2.3
281.19128	2.3
286.19135	4.8
287.20056	8.7
299.20142	4.4
303.19400	10.4
309.18527	3.9
365.24713	18.0
383.14865	6.7
383.25775	94.9
384.25940	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	383.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
54.15688	2.9
55.01856	3.3
55.05504	14.7
57.07072	32.0
58.33987	3.0
59.04982	8.9
67.05499	42.7
69.03430	13.5
69.07049	13.5
71.04984	8.4
71.64424	3.6
73.02878	2.7
77.14983	2.7
79.05488	33.2
81.03401	6.5
81.06579	3.3
81.07051	45.2
83.04972	6.3
83.08604	5.0
85.02902	3.7
85.06529	6.8
89.06016	14.0
91.05466	45.9
93.06467	5.8
93.07039	100.0
95.04970	27.0
95.08598	60.9
95.77924	2.8
97.02873	3.5
97.06529	9.4
97.10136	5.0
103.05446	5.4
105.07021	68.7
107.04882	2.5
107.08578	48.7
109.06504	20.1
109.10156	33.5
111.08072	8.5
117.06989	7.9
119.08570	52.3
121.06495	35.6
121.10143	50.3
123.08046	27.0
123.11668	5.3
128.06233	6.6
129.06967	8.8
130.07718	4.9
131.08563	24.9
133.06477	6.7
133.08606	4.9
133.10112	27.5
135.08038	19.4
135.11655	11.4
137.09589	11.5
142.07759	20.4
143.08543	23.3
144.09286	5.9
145.06549	3.1
145.10110	31.2
147.08026	25.6
147.11720	17.4
148.08894	3.7
149.09599	22.1
149.13222	9.5
151.07509	30.3
155.08609	7.3
156.09332	6.2
157.10150	33.9
159.08006	8.4
159.11691	19.1
161.09605	17.6
161.13232	11.6
163.11185	8.6
163.14787	6.6
165.09100	40.6
169.10097	4.0
170.10910	7.1
171.11665	12.1
173.09596	12.5
173.11931	3.3
173.13251	13.2
175.11182	19.0
175.14795	11.9
177.09143	10.4
179.08464	3.5
179.10594	3.1
181.12184	3.4
183.11708	4.7
185.13095	14.0
187.11151	3.5
187.14893	6.2
189.12721	10.2
193.12137	3.7
195.11740	7.0
199.11186	4.2
201.12694	6.7
203.14304	25.0
207.13823	12.0
209.11650	6.1
209.13435	6.3
209.15280	6.5
211.11137	3.4
215.14293	5.3
219.13777	7.0
221.13367	4.1
221.15331	86.1
225.16388	3.6
227.14224	5.0
233.15384	8.7
234.16179	15.9
234.18158	2.8
269.12375	5.7
271.15268	19.1
281.18884	4.3
287.19861	4.4
300.20398	3.1
301.20016	5.8
303.19492	7.9
365.10345	3.1
365.24652	10.4
383.11526	5.4
383.25748	85.1
383.33215	6.6
384.26187	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
54.79737	1.7
55.01869	11.3
55.05507	41.6
57.03430	28.8
57.07079	2.5
59.04985	2.2
65.03929	2.6
67.05164	3.2
67.05503	52.1
69.03428	15.6
69.07063	33.7
71.04987	9.7
71.08642	2.1
72.08137	3.3
79.05487	53.9
81.02971	3.3
81.03416	45.9
81.07051	100.0
83.04974	23.4
83.08621	31.8
84.08128	2.7
85.02898	30.0
85.06538	8.8
91.05473	35.8
93.07036	42.9
95.04971	32.6
95.08601	42.8
97.02880	12.4
97.06538	15.7
97.10165	29.2
98.09675	2.1
99.04452	2.5
99.08107	4.6
101.06036	2.2
103.97828	1.8
105.07023	33.7
105.07668	3.0
107.04970	12.9
107.08588	29.3
109.06506	13.6
109.10165	18.6
111.04446	9.7
111.08073	14.5
113.05979	4.0
115.05421	3.3
116.98604	2.0
117.07011	8.8
119.04939	5.2
119.08569	34.3
121.02851	2.9
121.06496	8.5
121.10137	24.2
123.04426	5.4
123.08060	34.1
123.11724	9.3
125.05972	4.9
125.09623	23.5
127.03913	2.9
127.07488	2.3
129.05461	3.6
129.06956	9.5
130.85387	1.6
131.08571	17.1
133.06448	4.2
133.10135	16.2
135.04407	2.1
135.08058	9.3
135.11711	10.3
137.06041	4.1
137.09622	11.1
137.13234	3.3
138.05496	2.1
139.07527	2.4
139.11192	2.9
140.33646	2.2
141.07088	2.2
142.07755	2.5
143.08504	4.2
145.10095	17.0
147.04416	6.7
147.08046	7.0
147.11684	18.8
149.02286	2.2
149.09598	7.2
149.13242	4.0
151.07561	3.3
151.11121	2.2
153.09096	3.7
153.12743	6.3
155.08522	2.9
157.06480	1.9
157.10101	14.8
159.08040	2.7
159.11726	8.2
161.09599	5.2
161.13213	2.8
163.03923	2.5
163.11177	11.6
165.09116	7.2
165.12743	4.6
167.07016	5.1
169.12270	2.6
171.10246	2.2
171.11725	3.0
173.09581	4.2
173.13290	3.0
175.11177	14.5
175.14856	3.9
177.05486	4.5
177.09178	2.8
177.12762	4.5
179.07155	2.5
179.14244	2.4
181.12241	6.5
185.13208	3.3
187.11310	3.7
187.13353	2.9
189.05577	2.3
189.09503	3.7
189.11218	30.4
189.12796	2.1
191.10657	5.8
193.12236	39.2
205.08571	2.7
209.11702	2.5
211.13272	40.3
213.05313	2.1
213.09180	1.9
217.12305	2.4
219.07864	2.4
219.09941	2.9
221.08118	6.7
221.15388	4.3
223.13245	12.6
227.12781	6.8
227.17953	2.8
233.11998	2.2
235.05894	4.1
245.04410	2.4
248.08353	2.7
249.14885	4.3
255.17526	2.6
267.15903	3.1
269.07916	3.2
273.18500	21.2
285.16995	5.5
291.10083	4.2
291.19519	63.5
292.07294	2.5
293.08121	3.4
305.08099	2.6
307.06006	2.9
309.07559	5.7
309.20413	2.6
310.08020	4.4
311.08344	8.8
313.07025	3.0
321.07593	2.4
323.08957	4.5
323.12579	2.9
325.07013	3.0
326.07565	2.4
337.10599	4.8
341.10059	9.3
347.21902	4.4
350.07797	3.8
351.12231	4.4
355.11713	3.4
365.09616	22.3
365.23288	12.3
368.08478	2.2
383.10782	18.0
383.14368	34.2
383.24142	49.5
383.27832	39.7
384.11145	2.8
384.15396	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	383.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
54.79737	1.7
55.01869	11.3
55.05507	41.6
57.03430	28.8
57.07079	2.5
59.04985	2.2
65.03929	2.6
67.05164	3.2
67.05503	52.1
69.03428	15.6
69.07063	33.7
71.04987	9.7
71.08642	2.1
72.08137	3.3
79.05487	53.9
81.02971	3.3
81.03416	45.9
81.07051	100.0
83.04974	23.4
83.08621	31.8
84.08128	2.7
85.02898	30.0
85.06538	8.8
91.05473	35.8
93.07036	42.9
95.04971	32.6
95.08601	42.8
97.02880	12.4
97.06538	15.7
97.10165	29.2
98.09675	2.1
99.04452	2.5
99.08107	4.6
101.06036	2.2
103.97828	1.8
105.07023	33.7
105.07668	3.0
107.04970	12.9
107.08588	29.3
109.06506	13.6
109.10165	18.6
111.04446	9.7
111.08073	14.5
113.05979	4.0
115.05421	3.3
116.98604	2.0
117.07011	8.8
119.04939	5.2
119.08569	34.3
121.02851	2.9
121.06496	8.5
121.10137	24.2
123.04426	5.4
123.08060	34.1
123.11724	9.3
125.05972	4.9
125.09623	23.5
127.03913	2.9
127.07488	2.3
129.05461	3.6
129.06956	9.5
130.85387	1.6
131.08571	17.1
133.06448	4.2
133.10135	16.2
135.04407	2.1
135.08058	9.3
135.11711	10.3
137.06041	4.1
137.09622	11.1
137.13234	3.3
138.05496	2.1
139.07527	2.4
139.11192	2.9
140.33646	2.2
141.07088	2.2
142.07755	2.5
143.08504	4.2
145.10095	17.0
147.04416	6.7
147.08046	7.0
147.11684	18.8
149.02286	2.2
149.09598	7.2
149.13242	4.0
151.07561	3.3
151.11121	2.2
153.09096	3.7
153.12743	6.3
155.08522	2.9
157.06480	1.9
157.10101	14.8
159.08040	2.7
159.11726	8.2
161.09599	5.2
161.13213	2.8
163.03923	2.5
163.11177	11.6
165.09116	7.2
165.12743	4.6
167.07016	5.1
169.12270	2.6
171.10246	2.2
171.11725	3.0
173.09581	4.2
173.13290	3.0
175.11177	14.5
175.14856	3.9
177.05486	4.5
177.09178	2.8
177.12762	4.5
179.07155	2.5
179.14244	2.4
181.12241	6.5
185.13208	3.3
187.11310	3.7
187.13353	2.9
189.05577	2.3
189.09503	3.7
189.11218	30.4
189.12796	2.1
191.10657	5.8
193.12236	39.2
205.08571	2.7
209.11702	2.5
211.13272	40.3
213.05313	2.1
213.09180	1.9
217.12305	2.4
219.07864	2.4
219.09941	2.9
221.08118	6.7
221.15388	4.3
223.13245	12.6
227.12781	6.8
227.17953	2.8
233.11998	2.2
235.05894	4.1
245.04410	2.4
248.08353	2.7
249.14885	4.3
255.17526	2.6
267.15903	3.1
269.07916	3.2
273.18500	21.2
285.16995	5.5
291.10083	4.2
291.19519	63.5
292.07294	2.5
293.08121	3.4
305.08099	2.6
307.06006	2.9
309.07559	5.7
309.20413	2.6
310.08020	4.4
311.08344	8.8
313.07025	3.0
321.07593	2.4
323.08957	4.5
323.12579	2.9
325.07013	3.0
326.07565	2.4
337.10599	4.8
341.10059	9.3
347.21902	4.4
350.07797	3.8
351.12231	4.4
355.11713	3.4
365.09616	22.3
365.23288	12.3
368.08478	2.2
383.10782	18.0
383.14368	34.2
383.24142	49.5
383.27832	39.7
384.11145	2.8
384.15396	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	383.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15617	0.4
53.03947	0.4
57.03435	2.6
61.02913	1.0
66.96781	0.5
67.05478	0.6
69.03432	4.7
70.06571	1.7
70.19621	2.3
70.97783	0.4
71.01353	0.8
71.04984	1.5
72.08154	5.6
73.02899	1.6
73.08475	0.9
75.04474	0.6
81.03413	1.1
81.07005	0.7
84.08125	1.4
85.02901	2.2
86.09677	0.7
87.09140	0.5
90.11613	0.5
91.05431	0.7
97.02883	1.5
98.06066	0.9
99.04448	2.4
107.07384	0.5
110.02383	2.0
111.02695	0.5
112.02889	0.6
116.98605	0.7
119.04932	0.8
127.03896	1.1
127.12666	0.5
133.07599	6.3
134.99670	0.7
136.06175	1.3
136.07497	0.5
138.05530	0.8
145.07600	15.9
147.04364	3.3
147.09157	1.1
148.04808	0.5
148.06166	0.6
152.07069	1.0
155.39246	0.5
159.09196	0.9
162.07776	1.9
162.09138	0.5
163.08658	46.0
164.09021	0.6
170.10036	0.5
173.73402	0.6
175.08705	0.9
177.00684	0.5
188.05626	0.5
192.05167	0.6
197.02986	0.5
203.10977	0.5
205.09727	2.0
221.09158	0.6
227.04901	0.5
234.06261	0.7
252.07240	6.0
261.12274	1.0
279.13403	5.0
291.70758	0.5
297.14441	100.0
298.14636	2.9
305.11438	0.7
322.13910	3.1
323.05969	0.6
323.12469	0.5
329.14563	0.6
330.09634	0.6
340.15143	1.2
348.11398	1.0
365.13742	1.0
366.12924	30.4
367.13315	1.1
383.14615	1.9
383.21552	1.1
383.25732	1.0
384.11588	1.1
389.12100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1486
Annotation	Gancaonol A
Peak:m/z	Relative Intensity
55.05483	0.9
57.07057	0.8
64.90421	0.4
67.05489	2.9
69.03409	0.6
69.07051	1.4
69.64886	0.8
69.65310	1.9
73.30973	0.3
79.05501	2.3
81.03395	1.4
81.07057	4.4
83.04983	0.4
83.08616	0.9
85.06514	1.2
89.03933	0.4
91.05457	1.6
93.07030	4.6
95.04954	0.8
95.08596	6.7
105.07024	4.9
107.04886	0.4
107.08591	3.9
109.06480	1.2
109.10146	4.4
111.08083	0.6
117.03378	0.7
117.07032	0.4
119.08577	5.8
121.02800	0.4
121.06512	0.5
121.10136	4.2
123.08065	1.1
123.11694	1.2
128.06180	0.4
129.06976	0.5
131.08565	0.9
132.50012	0.3
133.10127	2.8
134.03638	3.1
135.08044	0.8
135.11652	1.9
137.09619	0.5
137.13173	0.6
141.07071	0.4
142.07768	0.6
143.08574	0.8
145.10092	2.8
147.08041	1.3
147.11684	2.4
149.02307	1.4
149.05942	0.6
149.09573	0.7
149.13307	2.2
151.03922	0.5
151.07526	1.1
155.08528	0.5
157.10132	1.7
159.11676	2.5
161.09624	0.9
161.13219	2.4
163.07529	0.4
163.11247	0.4
163.14790	1.7
165.09094	1.4
171.11661	0.8
173.09727	0.3
173.13278	1.0
175.11156	0.6
175.14792	2.3
177.09135	0.4
177.16367	0.5
180.05820	0.4
183.11613	0.4
185.13255	0.9
187.14790	1.2
189.12709	0.6
189.16386	1.1
191.17905	2.5
198.06781	0.7
201.16336	0.8
203.14307	1.0
203.17860	0.9
209.05969	0.5
211.62511	0.4
215.17877	0.4
217.19383	0.5
220.18053	0.4
221.15334	2.9
225.05467	0.7
226.06169	1.9
227.06799	0.4
229.19603	0.4
237.05421	1.6
254.05794	0.9
255.06592	0.6
265.04935	1.4
269.04373	0.5
281.04376	1.2
282.05231	15.0
283.05786	0.6
284.06686	1.2
297.04370	0.6
297.07535	16.4
311.05524	0.6
312.06253	14.7
313.06396	0.6
327.08600	100.0
328.08929	3.6
365.24692	0.9
365.32056	1.5
383.10297	0.4
383.14972	7.4
383.20175	0.7
383.25494	3.4
383.33179	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	383.1488
Annotation	Gancaonol A
Peak:m/z	Relative Intensity
55.01834	0.3
55.05465	0.6
58.55858	0.1
61.67710	0.1
63.07029	0.1
65.03925	0.3
67.05495	0.7
69.03427	0.7
69.07040	0.2
70.87912	0.4
79.01808	0.6
79.05458	0.3
81.06995	0.4
83.08631	0.2
91.05469	2.5
93.06990	0.2
95.04922	0.6
95.08552	0.4
105.06982	0.3
106.15099	0.2
107.04899	0.4
107.08542	0.3
109.10095	0.4
118.04138	0.2
119.04235	0.1
119.04933	1.3
119.08565	0.6
121.02843	1.7
121.10104	0.3
123.04416	0.8
128.10481	0.1
131.04884	0.4
131.08516	0.1
133.02835	0.2
133.10043	0.4
135.04366	0.2
135.11615	0.2
137.06024	0.2
141.01784	0.2
141.05402	0.5
145.02798	0.5
145.06383	0.1
147.04390	3.2
147.11530	0.2
153.05408	0.2
157.06491	0.2
157.09993	0.2
159.04340	0.3
161.13177	0.3
163.03899	0.8
165.04323	0.2
165.05478	1.9
165.06854	0.3
167.03351	0.4
170.02684	0.2
175.14757	0.2
179.08545	0.7
181.04964	0.7
181.06409	0.2
182.07216	0.4
183.06456	0.2
185.06078	0.2
187.03906	0.3
191.03375	3.8
191.17931	0.2
193.34326	0.1
197.09549	0.6
199.14755	0.1
207.07979	0.5
209.04413	2.6
209.06197	0.3
210.06689	0.4
213.05438	0.2
225.09047	0.9
235.07439	0.4
237.05450	0.3
239.06993	0.3
252.07849	0.2
253.04849	0.2
253.08551	1.4
255.06508	0.8
259.06143	0.2
263.07019	0.5
264.07529	0.2
279.06580	0.1
281.08066	3.8
283.05942	0.2
291.06540	1.0
309.07532	100.0
310.07864	4.6
327.08600	32.4
328.08881	1.4
365.13840	5.1
366.14102	0.3
383.14880	19.9
384.15222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
55.05495	5.1
57.03418	2.8
61.02907	5.4
69.03407	10.8
70.06595	10.8
70.75404	4.7
71.04987	2.0
72.08149	84.4
73.02911	3.3
73.40246	1.4
73.85724	1.6
74.02430	1.5
74.65421	1.6
81.03419	7.4
82.02954	2.0
83.04917	1.5
84.08130	2.5
85.02898	34.5
86.09680	2.9
87.04444	2.1
89.06039	2.2
89.10780	22.8
91.05463	5.7
94.06576	3.0
97.02885	10.4
98.06044	12.3
98.09718	1.7
98.97587	2.5
99.04419	3.8
100.50015	1.6
106.06550	1.6
107.04935	2.3
109.02853	3.8
109.06509	1.4
110.07147	6.2
115.05447	2.0
115.08660	6.3
116.98656	1.6
118.06512	6.2
119.04944	19.3
120.08119	2.4
121.06422	1.6
122.06022	1.7
123.04309	1.8
127.03925	8.5
130.06511	53.1
131.04854	1.8
132.04439	15.2
132.08057	5.3
133.06493	2.4
135.04408	1.9
143.07327	1.6
144.06927	3.1
144.08037	17.6
145.05072	1.6
145.06544	2.9
145.07576	18.0
146.05971	11.1
147.04393	100.0
148.04718	5.9
148.07547	5.0
154.06487	4.2
156.08028	2.7
157.06331	3.8
157.07596	50.5
158.04756	3.2
158.06003	42.9
159.09167	8.8
160.07571	3.9
163.03850	2.5
167.07146	1.8
169.07576	7.4
170.06033	3.8
170.08345	2.4
171.09132	6.3
172.07579	10.8
174.05505	5.4
175.08659	50.7
176.07036	4.0
177.00633	1.6
180.08112	1.8
181.07530	3.0
182.06068	3.0
182.08328	2.8
183.09166	12.5
184.07553	2.9
185.07111	13.0
186.05504	3.5
187.08704	2.5
188.07097	4.2
189.05605	1.6
195.09123	1.8
197.07011	1.7
199.08640	11.6
200.07059	17.1
203.08131	94.7
204.06589	7.1
204.08331	2.4
206.08269	2.4
207.09215	2.5
208.07533	1.8
209.07024	7.4
215.08133	2.6
216.06569	3.5
216.08714	3.3
217.09720	26.6
218.11734	31.5
219.11995	6.0
221.09178	50.2
226.63055	17.8
227.08105	13.5
227.13341	1.5
228.06439	2.8
229.04935	2.5
230.11726	4.2
231.07550	5.4
233.09099	1.4
233.63899	2.0
235.14386	60.1
235.64557	14.8
236.14758	2.4
242.15182	8.6
242.65350	3.5
243.07686	2.3
245.09180	24.3
246.11372	2.9
257.09189	2.5
258.11301	2.5
259.05826	2.6
263.10236	45.9
275.09988	2.3
276.08731	2.3
293.14914	5.0
299.10214	5.8
329.11255	3.3
329.14795	2.2
347.12881	9.6
347.15842	11.5
348.10687	7.6
348.14395	3.5
365.13330	30.5
365.17148	12.9
383.14270	36.5
383.18451	8.7
384.14322	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	383.1123
Annotation	Artonin K
Peak:m/z	Relative Intensity
54.01767	0.3
55.01864	0.5
55.05509	1.7
55.42497	0.3
56.02473	0.3
57.03418	1.3
61.15804	0.4
67.05479	1.3
69.03412	0.7
69.07052	1.2
71.04968	0.3
71.62374	0.4
71.62823	0.5
72.08147	0.4
73.42646	0.3
79.05471	1.5
79.86729	0.3
81.03427	0.5
81.07059	2.5
83.04970	0.8
83.08626	0.4
84.08165	0.3
85.02886	0.7
85.06493	0.3
91.05492	1.5
92.99732	0.8
93.07011	1.5
95.04960	0.3
95.08612	2.3
97.02860	0.4
97.06496	0.3
105.03336	0.4
105.07030	1.8
107.04942	0.8
107.08575	1.4
109.06519	0.7
109.10129	1.2
110.02602	0.3
116.98555	0.4
119.04965	0.5
119.08575	1.9
121.06490	0.5
121.10103	1.0
123.04414	0.5
123.08020	0.5
123.11647	0.4
129.06969	0.3
131.08574	0.4
131.26498	0.3
133.02763	0.5
133.10150	1.6
134.03603	1.1
135.11665	0.8
137.02322	0.5
137.05925	1.0
143.08525	0.6
145.06458	0.4
147.04399	1.0
147.11650	0.9
149.02295	0.5
149.05899	0.5
149.13293	0.5
151.03905	0.5
151.07579	0.4
155.04953	0.8
157.06512	0.4
157.10077	0.5
159.03148	0.5
159.11592	0.8
159.25113	0.4
160.05147	0.7
161.05984	0.4
161.13292	0.4
163.03897	0.4
163.07549	0.9
165.01825	0.4
165.05467	1.4
175.14832	0.5
179.03302	0.4
183.02879	0.5
185.06006	0.7
189.05453	0.6
189.16353	3.1
191.03378	0.6
193.04878	0.6
201.05467	0.4
203.03394	0.4
211.02298	0.5
213.05478	0.9
216.04124	0.5
216.53262	0.3
217.04892	0.4
219.08119	0.4
229.04962	0.7
241.04915	1.3
242.05687	0.6
245.09612	0.3
248.08168	0.7
249.09372	0.4
251.07147	0.5
253.04958	0.9
254.05774	0.5
255.06470	0.7
257.04492	0.6
265.08624	0.5
267.06393	0.7
269.04477	0.5
269.08197	0.4
270.05273	1.9
275.06882	0.5
276.07751	0.5
277.08585	1.1
279.06445	0.5
280.07199	0.6
281.08102	0.4
281.11343	0.3
282.05234	0.7
283.05890	0.6
285.03885	0.7
286.04633	0.4
291.19547	1.2
293.04611	0.4
293.07935	1.2
294.08713	0.4
295.06009	1.2
295.09302	0.5
297.04001	0.6
297.07434	1.1
298.04700	18.8
299.05118	1.8
300.06256	1.3
303.05109	1.1
304.07547	0.6
305.08002	1.3
307.05847	0.4
308.06784	0.8
309.04245	0.5
309.07510	2.3
309.11090	0.8
310.04697	0.8
311.05432	2.4
311.08676	0.5
312.06088	1.9
313.07034	30.0
314.07367	1.5
321.07602	0.9
322.08316	3.0
323.08899	1.0
324.06158	0.4
325.07077	3.5
326.07608	1.0
327.05154	0.5
327.08527	3.8
332.06558	0.6
333.07590	0.9
335.09183	0.4
336.06259	0.4
337.06961	0.4
337.10706	6.1
338.11243	0.5
339.08707	0.4
340.09058	0.4
341.10287	1.3
347.09155	0.8
349.06738	0.5
350.07849	9.7
351.08450	2.1
353.06644	0.5
355.11801	0.9
365.10162	13.9
365.23062	0.6
366.10284	1.1
368.08936	1.1
383.11200	100.0
384.11566	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	383.1121
Annotation	Hildecarpidin
Peak:m/z	Relative Intensity
55.05490	0.5
56.96538	0.8
65.03390	0.4
67.05454	1.7
69.03384	0.6
69.07048	0.8
70.22147	1.8
76.87862	0.4
79.05456	1.1
81.03368	0.5
81.07011	1.8
88.19602	0.5
91.05463	2.3
93.07008	0.9
94.74541	0.4
95.04936	0.5
95.08566	1.0
97.06470	0.6
105.07002	1.0
107.08542	1.3
109.06467	0.5
109.10098	1.6
116.98598	0.7
117.03262	0.6
119.04855	0.5
119.08546	0.8
121.10110	0.8
123.04369	1.5
123.08031	0.5
133.10052	0.6
135.11644	0.8
137.05927	0.7
145.02776	0.9
145.10083	0.9
147.04381	1.1
147.11632	0.6
151.03844	1.8
156.40182	0.4
161.13231	0.5
163.03883	0.6
164.04681	0.5
165.05412	0.6
174.03098	0.5
179.03403	1.0
187.05092	0.4
191.17699	0.5
192.04095	0.6
193.04858	1.2
199.07501	0.7
209.04372	0.5
210.05168	1.7
219.10207	0.4
220.71588	0.4
223.07431	0.6
227.07111	0.7
229.04938	0.8
234.05151	0.9
237.05455	0.5
241.04755	0.7
251.07076	2.0
253.08479	0.8
255.06467	1.0
257.04364	0.6
263.06976	0.9
265.04971	0.5
265.08493	1.0
266.09323	0.4
269.08038	4.0
270.08746	1.2
279.06464	4.6
281.07999	0.9
283.06000	2.2
285.04037	0.6
287.05435	0.6
289.04843	1.6
293.04407	1.1
293.08017	1.6
295.06107	0.6
297.03912	3.9
297.07532	1.2
298.04639	0.5
307.05997	4.1
308.06522	0.6
309.04251	0.7
309.07413	3.2
311.05374	2.7
311.08835	0.8
313.06882	0.7
322.08289	2.0
325.07043	6.6
326.07816	16.3
327.08475	2.0
335.05444	1.8
339.08551	1.8
341.10172	61.1
342.10559	4.0
349.06906	0.7
350.07840	32.4
351.08243	2.8
365.10172	100.0
366.10513	8.7
371.39975	0.5
383.11136	10.4
383.15466	0.8
383.25439	0.8
384.11462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1125
Annotation	Hildecarpidin
Peak:m/z	Relative Intensity
52.88918	0.6
53.03988	0.6
53.20106	0.5
55.01919	2.0
55.05552	2.1
56.27006	0.5
57.03476	1.1
58.92406	0.5
63.27340	0.7
65.03949	3.0
67.05219	0.6
67.05549	1.9
68.99520	0.6
68.99850	2.1
69.03431	2.9
69.07105	1.0
71.03546	0.5
71.05021	0.8
71.21709	0.6
72.08183	0.6
79.05544	1.3
81.03488	2.6
81.07046	3.6
83.05025	1.5
83.08665	0.8
85.02928	1.3
85.06605	1.0
91.05544	2.6
93.03473	2.2
93.07111	2.6
95.04964	5.9
95.08606	3.0
97.02381	0.6
97.02968	2.1
97.06583	1.7
103.05518	1.1
105.03433	1.0
105.07105	2.5
107.05017	2.6
107.08651	1.6
109.06561	1.0
109.10221	1.7
111.04521	1.1
115.05489	0.8
119.04993	1.2
119.08666	1.9
121.02863	9.0
121.03673	0.6
121.06584	0.7
121.10244	1.9
123.04500	2.6
123.08153	0.9
127.03960	0.7
129.07016	1.0
129.52232	0.6
131.04945	1.1
131.08632	1.3
133.06520	0.9
133.10175	1.2
134.03629	3.1
135.04483	1.4
135.08173	0.9
137.02438	1.1
137.06081	1.0
139.03967	1.0
141.07010	0.6
143.08553	0.8
145.02890	0.8
145.06557	0.8
145.10109	1.3
147.04422	1.3
147.08147	0.9
147.11761	1.0
149.02332	17.2
149.13300	0.9
151.03979	2.4
151.07588	0.7
157.06572	1.4
159.08133	0.7
159.11781	1.3
160.05322	0.9
161.02321	4.1
161.13431	0.7
163.03922	1.4
163.07632	1.9
165.09045	0.7
167.03426	5.6
167.07010	1.0
169.04974	3.2
173.09557	0.6
175.03937	0.7
175.07664	1.3
179.03389	51.4
180.03864	1.1
181.06487	1.1
183.02956	0.7
185.06027	1.3
187.07652	1.8
188.08492	0.7
189.05574	0.7
191.03424	0.8
191.08609	0.6
197.04445	49.0
198.04886	1.6
199.07530	1.4
203.06979	1.3
203.08699	1.2
205.06502	0.9
207.06604	0.8
209.06018	1.5
213.05426	3.0
215.06995	0.8
216.04187	1.3
219.08157	0.9
221.08133	2.3
227.07039	1.3
229.08621	0.9
231.06422	5.6
233.06442	0.8
233.09552	0.7
237.05534	2.6
239.10771	1.0
243.06528	0.8
247.07628	2.0
248.08246	1.2
249.07477	6.4
251.07011	1.1
252.04140	2.1
254.02039	0.7
255.06740	0.9
259.07431	0.8
261.05753	0.8
261.08826	0.6
263.10718	0.8
265.04901	4.7
267.10257	2.2
269.08105	1.3
270.05276	0.9
275.07068	3.0
276.07819	2.2
277.08499	1.7
279.06693	1.0
280.03656	2.5
281.11557	0.9
283.05988	5.9
287.07013	2.0
288.07788	1.6
289.05142	1.0
289.08167	0.7
290.05948	0.7
290.09201	0.8
291.10199	1.9
292.07318	0.9
293.04898	0.6
293.07974	3.0
294.08713	0.8
295.06030	21.0
295.09595	2.1
296.06439	1.3
298.04672	4.1
299.05267	0.6
301.07153	0.6
303.06519	4.9
304.07321	7.5
305.08090	1.4
306.08740	0.8
307.06110	0.7
307.09549	1.2
308.10553	1.2
309.07544	1.0
309.11115	1.2
311.05551	1.4
313.07037	100.0
314.07437	6.4
315.06552	0.8
316.07281	0.7
318.08691	0.8
319.09604	6.4
321.07532	1.2
322.08286	1.8
323.09079	1.5
323.12521	1.2
325.06866	1.5
325.10419	0.9
327.08627	1.4
331.06085	1.3
332.06750	13.1
333.07059	1.1
335.09180	1.8
336.09869	0.8
337.06998	0.6
337.10669	10.2
341.10153	1.4
347.09113	65.7
348.09525	4.7
350.07736	2.3
351.08432	0.9
351.12109	3.1
352.12994	1.4
353.10126	1.6
355.11740	28.8
356.12027	3.1
365.10175	56.9
366.10602	4.3
368.08505	0.7
368.12378	1.8
383.11105	87.2
383.14844	7.3
383.27643	26.9
384.11426	6.2
384.15372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1124
Annotation	Artonin K
Peak:m/z	Relative Intensity
55.01875	1.1
56.96564	0.8
58.00037	0.5
58.32087	0.6
59.04996	1.0
64.73111	0.6
65.03948	1.0
67.05494	1.8
68.99792	1.0
69.03427	1.6
69.07051	1.6
69.68243	4.3
79.05490	1.5
81.03418	0.9
81.07044	2.3
83.08595	0.7
91.05466	1.7
93.03391	1.0
93.07044	2.1
95.04960	2.3
95.08611	2.0
97.06561	0.6
103.05468	0.8
105.07006	2.5
107.04952	0.9
107.08583	1.5
109.10165	2.0
117.06995	1.0
119.08557	2.7
121.02879	3.6
121.06492	0.6
121.10122	1.7
123.04395	1.8
131.08548	1.0
133.10100	1.8
134.03636	1.2
135.04416	0.6
135.07980	0.6
135.11650	0.8
145.06509	0.6
145.10115	1.2
147.04382	1.2
147.11684	0.9
149.02330	6.4
149.06085	0.6
151.03935	1.3
153.09100	0.5
159.11720	0.7
161.02345	0.9
161.13254	0.8
163.07487	0.7
167.03413	1.8
167.07086	0.8
169.04887	0.9
171.11688	0.6
173.05988	0.7
173.13158	0.6
175.07576	0.8
179.03380	16.7
185.05992	0.9
187.07416	0.7
189.16368	2.0
193.04906	0.8
197.04451	17.9
198.04810	0.6
199.07481	0.8
203.06984	0.8
209.05952	0.9
213.05244	1.0
217.05013	0.8
219.02956	3.6
221.08188	1.0
231.06447	1.8
237.05524	1.1
248.08492	0.6
249.07648	2.5
252.04050	0.7
255.06398	0.7
265.04883	2.9
267.06631	0.6
267.10269	1.0
269.08087	1.2
276.07700	0.9
277.08560	0.6
279.06561	0.6
280.03659	1.0
280.07269	0.6
281.11761	0.7
283.06021	3.0
288.07675	0.7
293.04477	2.1
295.06012	6.3
295.09412	1.3
297.07620	1.7
298.04822	0.7
303.06543	2.5
304.07321	2.0
307.06021	0.8
308.06830	3.1
308.09866	0.6
309.07507	2.4
310.04706	1.3
311.05493	2.1
313.07043	33.0
314.07489	1.7
319.09814	1.5
323.09143	2.4
325.07031	10.5
326.07309	1.3
327.08798	0.6
332.06744	5.2
335.05472	1.2
336.06274	5.4
337.06891	1.7
337.10736	4.1
341.10007	0.8
347.09119	24.0
348.09299	1.5
350.07785	0.9
351.08472	3.8
351.12067	0.6
352.08963	0.6
353.06503	13.2
355.11758	10.1
365.10144	22.2
366.10434	1.9
367.08411	0.7
368.08823	6.0
383.11203	100.0
384.11566	6.7
401.49387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.112
Annotation	Hildecarpidin
Peak:m/z	Relative Intensity
53.03907	1.4
55.01854	2.7
55.05486	3.2
57.03422	1.7
58.06568	1.1
61.78931	1.0
62.65803	0.9
63.33228	0.9
65.03925	2.8
67.05481	4.5
68.99763	2.0
69.03402	3.1
69.07044	4.6
69.40549	9.6
71.04934	1.2
79.05470	4.6
81.03383	4.6
81.07058	6.7
83.04980	3.1
83.08605	1.3
85.02864	1.9
85.06530	1.8
91.05478	5.0
93.03400	2.7
93.07014	4.5
95.04961	6.2
95.08580	4.2
97.02877	2.3
97.06528	2.6
98.20771	2.0
99.88358	0.9
105.07001	4.2
107.04932	3.0
107.08557	3.0
107.38751	1.0
109.06493	3.0
109.10128	4.4
117.07034	0.9
119.08549	2.8
121.02869	9.8
121.06477	2.4
121.10098	2.6
122.99895	1.0
123.04414	8.4
123.08047	1.4
123.11649	1.7
127.03944	1.2
128.06230	1.8
129.06953	1.2
130.06511	6.5
131.08533	2.3
132.08099	1.2
133.10109	2.7
134.03630	3.3
135.04387	2.6
135.08072	1.5
135.11665	2.0
137.02307	1.6
137.05927	2.1
145.10103	2.3
147.04361	3.2
147.08031	2.8
147.11639	2.0
149.02335	16.0
149.05952	1.7
149.09595	1.5
151.03958	1.8
153.01799	2.9
153.05469	1.3
157.06442	2.9
159.08041	1.3
159.11748	1.5
161.02362	2.5
161.05949	2.5
161.09645	1.3
163.07489	2.0
165.01909	1.1
165.05423	1.5
167.03337	6.9
167.06993	1.1
169.04961	4.2
169.06459	1.0
169.09866	1.0
171.07954	1.6
172.90059	1.2
173.06082	1.1
175.07529	2.0
175.11076	1.1
177.05450	1.3
179.03387	48.3
179.08421	1.4
181.06483	1.5
187.07520	1.7
189.05374	1.3
189.09108	1.5
189.16356	1.2
197.04439	50.4
197.09277	1.2
198.04834	2.2
199.07544	2.5
201.09137	1.0
203.06891	2.0
203.10498	1.3
208.10683	2.9
209.05998	1.8
213.05345	3.1
216.04213	2.8
217.04846	1.4
221.08034	2.8
227.07059	1.5
231.06351	5.2
235.16978	1.2
237.05530	3.1
239.10605	1.9
241.04906	1.5
247.07726	1.5
248.08298	1.5
249.07495	16.0
252.04158	1.8
253.08484	1.1
255.06429	1.4
265.05002	5.6
265.08487	1.6
267.09891	2.6
271.09586	1.7
275.06940	2.4
276.07663	1.6
277.08554	1.2
280.03619	3.2
281.11661	1.4
283.05966	13.5
287.05908	1.5
288.07776	1.6
291.10043	2.0
293.08029	2.3
295.06024	20.0
295.09277	2.4
297.07477	1.6
298.04697	2.9
299.05496	2.2
303.06448	5.6
304.07217	5.9
305.07941	1.9
309.07431	2.8
309.11130	1.5
311.05505	2.5
313.07034	100.0
314.07321	6.3
319.09659	5.3
319.15503	2.2
321.07538	1.6
322.08051	4.4
323.09189	2.1
325.07007	1.7
326.07657	1.5
327.08420	1.6
331.05872	1.6
332.06760	15.5
333.07132	1.7
337.10690	9.1
337.16806	2.6
339.08524	4.6
341.10147	5.0
347.09109	63.8
348.09424	4.2
350.07648	2.5
353.10004	1.5
355.11743	25.4
356.12088	1.9
365.10153	71.8
366.10416	4.9
368.86899	1.1
383.11124	92.0
383.14700	5.5
384.11508	6.8
391.19595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	2.7
55.05516	3.7
56.96552	1.0
57.03423	2.3
65.03944	0.9
65.14624	0.8
67.05169	1.0
67.05498	14.4
68.99766	0.8
69.03421	2.3
69.07051	3.4
71.04984	1.2
79.05485	7.1
81.03428	1.0
81.07047	14.2
83.04957	2.0
83.08615	1.8
85.02896	1.1
85.06525	2.1
91.05460	9.3
93.03413	0.7
93.07042	8.4
95.04946	3.7
95.08595	7.4
97.02831	0.9
97.06520	3.0
97.10121	1.0
103.05431	1.7
105.07003	10.0
107.04957	3.5
107.08595	7.8
109.02872	0.8
109.06499	3.0
109.10143	11.2
111.04454	1.2
111.08059	1.4
113.06026	1.5
115.05446	1.2
117.07010	4.4
119.04922	1.2
119.08590	5.6
121.02890	1.2
121.06464	1.5
121.10128	3.4
123.04411	3.2
123.08053	1.6
123.11703	2.1
125.09641	1.4
128.06224	0.9
129.06973	4.4
131.04924	1.7
131.08527	3.0
133.06500	1.5
133.10089	7.2
135.04436	1.2
135.08052	9.4
135.11661	2.4
137.02312	1.4
137.05966	1.5
137.09592	1.3
143.08536	2.0
145.06496	1.8
145.10023	1.7
147.04382	2.6
147.08028	1.8
147.11658	1.8
149.02353	1.2
149.05942	0.9
149.09578	2.3
149.13257	2.0
151.03851	1.4
151.07510	1.0
151.11176	2.8
153.01782	2.7
157.06505	1.7
157.10107	2.3
159.04398	6.3
159.08002	1.8
159.11658	1.5
161.02315	1.3
161.09653	2.1
161.13295	1.5
163.07538	2.3
163.11024	1.0
165.06889	1.0
165.09174	1.0
171.11722	0.8
173.11760	1.8
173.13200	0.9
175.07555	0.9
175.11176	1.5
175.14771	1.2
177.09117	1.3
179.03528	0.9
185.05928	2.5
185.13174	0.8
187.07474	1.1
189.01752	3.9
189.05437	3.4
191.03294	1.1
191.17961	1.3
195.02872	1.5
199.07585	0.9
201.09016	1.1
203.03349	0.9
203.07007	2.1
207.02899	2.6
207.06503	1.0
211.13252	0.9
213.05453	23.9
214.05843	1.0
229.04939	1.5
231.06453	13.3
231.08502	1.1
245.09714	1.2
248.08138	0.9
249.07437	9.2
253.08636	1.0
253.14291	1.8
255.06508	1.1
255.17409	0.8
257.04358	0.8
263.19952	1.0
271.15573	1.3
273.18344	3.8
277.08698	1.0
281.08191	1.2
283.05939	1.8
285.03802	1.0
291.10168	1.4
291.19495	6.3
293.04468	2.0
297.03912	5.0
297.06921	1.1
299.05386	1.5
304.07379	1.5
309.07510	12.0
311.05533	7.1
311.08725	1.3
313.06897	1.5
319.09540	2.7
322.08228	1.0
323.05338	1.3
325.07077	2.3
327.08475	2.7
329.08072	2.5
331.05963	1.5
332.06650	2.4
333.07404	1.1
337.06995	1.1
337.10864	1.0
339.08609	9.6
340.09369	1.2
347.09113	27.3
347.21884	1.1
348.09506	2.1
349.07120	1.5
350.07681	2.5
351.08649	0.9
353.06482	10.0
365.10147	100.0
365.22922	7.3
366.10428	6.9
368.08865	2.1
383.11102	73.4
383.24234	6.2
383.28860	1.0
384.11581	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	383.1123
Annotation	Velloquercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01862	1.1
55.05492	2.6
57.03423	1.5
60.22094	0.8
66.14687	0.7
66.47648	0.7
67.05498	11.9
67.63430	0.6
68.99788	1.0
69.03420	1.1
69.07058	3.4
70.18887	3.7
71.04973	1.4
78.03719	0.7
79.05495	3.6
81.07058	6.0
83.04971	1.1
83.08609	1.1
85.02902	1.1
85.06509	1.1
91.05477	4.0
93.07026	3.7
95.04958	2.3
95.08131	0.6
95.08614	5.2
97.06532	6.9
103.05418	0.8
105.03371	1.3
105.07005	4.9
107.04964	1.0
107.08598	4.6
109.10155	8.5
113.77827	0.6
119.08571	6.5
121.10129	3.0
123.04427	1.9
123.08036	1.1
128.06230	1.0
131.04863	1.6
131.08554	1.5
133.10141	3.9
134.03595	1.6
135.08086	1.2
135.11649	1.8
137.02255	0.8
137.09590	1.1
141.07054	0.8
143.08536	1.4
145.06471	1.1
145.10118	1.9
147.11671	2.6
149.09583	0.8
149.13283	1.0
151.07570	0.7
153.01805	5.7
153.05411	0.9
157.06387	0.9
157.10179	1.2
158.03511	0.9
159.11665	1.6
161.05867	0.8
161.09669	1.0
161.13290	2.1
171.11646	1.0
173.11740	2.4
175.14839	1.5
177.09155	0.7
185.05962	1.1
187.14862	0.9
188.04478	0.7
189.16386	3.2
191.17836	2.1
197.05984	1.2
199.07503	0.9
211.72243	0.7
213.05502	1.9
216.04114	0.9
217.04797	0.8
217.60893	0.7
219.10103	1.1
221.15280	0.9
229.04924	12.5
241.04944	7.3
242.05560	1.4
245.01102	0.7
253.04971	3.7
255.06549	2.1
257.04425	9.0
268.03769	0.7
269.04337	3.5
270.05167	3.2
273.18439	1.0
283.05972	12.2
285.03925	10.3
286.04675	0.8
287.05496	4.1
291.19580	1.2
293.08124	1.8
294.08807	1.1
295.06088	1.0
296.06958	0.8
297.03922	54.0
298.04678	27.4
299.05072	1.6
304.07318	0.7
305.08066	1.2
309.04123	0.8
309.07602	3.8
310.04556	2.6
311.05499	1.7
311.09103	2.6
313.07034	47.5
314.07379	2.5
321.07584	2.0
322.08130	1.7
323.05475	1.2
323.09003	0.8
332.06894	1.7
337.07056	0.9
337.10742	2.3
339.08591	28.3
340.09036	1.8
350.07831	10.0
355.11676	6.3
365.10162	33.9
365.23279	1.1
366.10464	1.6
379.49307	0.8
383.11212	100.0
383.24411	5.9
383.33139	2.0
384.11526	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	383.1122
Annotation	Resomycin A
Peak:m/z	Relative Intensity
50.16946	0.5
55.01941	0.6
55.05344	0.7
55.05589	1.3
57.07146	0.5
58.06682	0.5
60.27480	0.5
64.33994	0.5
65.68688	0.5
67.05599	2.9
69.03488	1.0
69.07153	1.7
71.61801	0.7
79.05178	0.5
79.05609	1.5
81.03486	0.6
81.07159	3.7
83.08697	0.6
85.06624	0.8
89.04016	0.7
91.05595	1.9
93.07157	3.1
95.05043	1.2
95.08717	2.5
97.02960	0.6
97.06596	1.0
105.03516	0.5
105.07158	2.7
107.05067	1.4
107.08710	2.9
109.02977	0.9
109.06581	1.1
109.10292	3.2
115.05515	0.8
117.07154	3.0
119.05006	0.7
119.08712	2.1
121.02976	0.8
121.10277	1.7
123.04424	3.8
123.08186	0.6
123.11779	0.8
127.02072	0.5
129.07147	1.8
131.05037	0.7
131.08690	1.3
131.09824	0.6
133.02910	0.7
133.10258	1.9
135.04483	0.9
135.08101	0.8
135.11774	1.1
137.02489	1.7
137.13303	0.6
141.07120	0.7
145.06595	0.9
145.10245	1.3
147.04401	5.1
147.11771	1.1
149.06126	0.7
149.13310	1.2
151.04028	0.9
153.01953	1.0
157.06581	1.1
159.11734	0.8
161.02411	0.5
161.13388	1.6
163.11395	0.5
163.14798	0.7
167.06979	0.6
173.13362	0.6
175.14848	1.0
177.01982	0.6
179.87872	0.6
181.06511	1.1
184.43141	0.5
185.06075	1.6
187.07593	0.7
189.01903	1.0
189.05469	3.1
189.09326	1.0
189.16443	1.0
191.07143	0.6
191.18025	0.7
195.03040	2.1
202.07724	3.3
203.07114	1.5
203.18019	0.7
207.02972	0.9
207.06654	0.7
213.05446	3.3
217.10185	3.2
219.08238	1.0
229.05093	0.9
231.06636	1.7
235.11064	0.9
237.09360	0.5
239.07143	0.6
241.05128	0.8
243.06432	0.7
245.09615	6.9
247.07701	0.9
248.08420	1.6
257.04605	0.9
263.05548	0.9
263.10718	1.3
267.06662	0.7
269.04584	0.7
273.09079	2.5
275.07056	1.9
276.07840	1.9
277.08582	0.6
283.06097	1.2
285.03894	1.2
291.10159	2.7
291.19760	0.6
293.04935	0.6
293.08157	1.3
295.05878	1.0
297.04041	2.8
298.04507	0.8
299.05673	1.0
301.08676	2.0
305.08334	0.8
307.05905	0.6
308.06833	1.1
309.07559	1.9
309.11142	1.0
311.05472	17.2
312.05704	0.8
313.07095	0.9
319.09625	15.1
320.09952	1.3
321.07620	1.5
323.05457	2.8
323.09171	3.5
325.07080	1.8
327.08563	0.9
329.08185	1.7
336.06467	0.7
337.07178	1.2
337.10754	1.1
339.08557	1.5
347.09119	61.3
348.09460	3.0
349.07077	4.0
350.07852	3.3
351.08389	0.6
365.10159	100.0
366.10504	6.3
383.11172	74.5
383.32962	2.3
384.11499	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	383.1119
Annotation	12-Deoxyaklanonic acid
Peak:m/z	Relative Intensity
51.52829	0.4
53.03938	0.6
55.01857	1.1
55.05492	1.5
57.03436	1.9
57.07072	0.5
58.30775	0.3
58.34766	0.3
59.04990	0.4
67.01862	2.4
67.05167	0.4
67.05502	5.5
68.99772	2.3
69.03416	2.5
69.07062	5.2
70.69948	1.3
71.04983	1.2
72.08144	0.3
73.02917	0.3
79.01840	0.4
79.05491	4.3
81.03410	1.0
81.07052	4.7
83.01323	0.5
83.04977	1.1
83.08602	1.2
85.02914	0.8
85.06520	1.2
87.86623	0.4
91.05476	3.4
93.07033	3.4
95.04974	1.8
95.08598	2.9
97.02869	1.8
97.06522	3.7
97.10156	0.5
99.08069	0.7
103.05446	0.4
105.03388	0.3
105.07019	2.6
105.11987	0.3
107.04965	1.3
107.08569	2.4
109.06512	1.7
109.10154	2.7
111.00792	0.8
111.08118	0.5
113.24403	0.3
115.05436	0.8
115.07569	1.2
117.07008	1.1
118.05614	0.3
119.04983	0.6
119.08555	2.3
121.02871	0.6
121.06516	0.8
121.10141	1.8
123.04417	2.3
123.08042	0.8
123.11700	0.7
125.09614	0.6
127.03927	0.6
128.06230	0.6
129.07013	1.0
131.04962	0.5
131.08525	1.4
133.06464	0.6
133.10091	1.8
135.04413	0.4
135.08032	1.4
135.11673	1.0
137.02283	0.7
137.05978	0.6
137.09647	0.7
137.13246	0.7
139.03883	1.0
141.06979	0.7
142.07770	0.4
143.08530	1.2
145.06471	1.0
145.10104	1.5
147.04398	1.0
147.08037	0.4
147.11673	0.9
149.02377	0.4
149.05989	0.6
149.09637	0.4
149.13237	0.6
151.03867	0.4
151.07437	0.4
151.11119	0.4
152.06209	0.6
153.01810	100.0
153.06969	0.9
154.02159	3.1
155.04796	0.3
155.08531	1.1
157.06461	0.5
157.10097	0.7
159.08051	0.5
159.11664	1.2
160.05167	0.5
161.05940	1.6
161.09576	0.8
161.13263	0.4
163.03883	1.2
163.07584	0.3
163.11183	0.3
165.01837	0.9
165.05644	0.6
165.07030	1.3
166.07834	0.4
167.03326	0.3
167.08554	1.2
169.06520	0.5
170.71181	0.3
171.02878	2.9
171.08110	0.6
173.05951	2.2
173.09549	0.3
173.13315	0.5
174.06706	0.3
175.03967	0.3
175.07535	0.7
175.11143	0.6
176.04556	0.3
177.05441	1.4
179.03343	0.6
179.06918	0.3
181.04977	0.3
181.06503	0.9
181.10158	0.4
183.08035	1.3
185.05931	0.7
187.07539	1.3
187.11183	0.5
189.05437	0.4
189.09084	1.1
189.11278	0.4
189.16298	0.5
191.03426	1.0
191.07104	0.4
195.02887	0.6
195.08017	0.8
195.13821	0.4
197.05980	0.5
199.07463	2.0
199.14865	0.5
200.04503	0.3
200.08194	0.4
201.05460	1.7
201.09140	0.9
205.08572	0.5
205.12202	0.4
211.07520	2.6
212.08258	0.5
213.05446	1.2
213.09041	1.8
214.06216	0.6
215.06967	0.4
217.15910	0.6
219.06346	0.5
221.09657	0.5
225.05408	0.5
227.06979	0.8
229.04944	1.4
229.08537	1.2
231.10164	0.4
234.70898	0.4
239.06978	4.6
241.04961	1.2
243.06451	0.4
245.19099	0.5
247.07686	0.4
248.08316	0.4
252.04210	0.6
253.04988	0.9
253.08449	0.9
255.06520	0.7
255.10249	0.5
257.04443	0.4
257.05402	0.4
257.08054	4.2
258.08496	0.5
261.09308	0.4
263.07245	0.5
265.04892	2.0
267.06607	0.8
269.04419	1.1
270.05029	0.4
271.06042	1.0
273.18573	2.5
276.07751	0.4
277.08597	0.6
279.06622	0.9
281.04504	0.9
281.08038	1.9
282.05264	0.8
283.05978	1.1
285.03918	0.8
286.04507	0.5
287.05457	6.7
290.05768	0.7
291.06430	0.5
291.10028	0.8
291.19540	1.1
293.04407	3.1
293.07993	1.2
294.04709	0.5
294.08951	0.5
295.06039	5.2
295.09311	0.8
296.06424	1.0
297.04013	0.9
297.07416	0.6
298.04675	5.8
299.05359	1.4
303.06494	0.7
304.07169	0.8
305.08090	1.7
307.05923	0.7
308.06717	0.5
309.03909	2.2
309.07520	6.8
309.11078	1.0
310.04758	1.6
311.05487	21.0
311.08856	1.2
312.05865	1.7
313.03458	0.7
313.06915	0.6
318.05042	0.5
319.06052	0.7
319.09567	5.4
320.10019	0.5
321.03839	1.0
321.07596	1.5
322.08179	0.7
323.05392	3.4
323.09094	1.1
324.06232	2.6
325.07028	1.4
326.07809	5.8
327.05026	0.7
327.08542	4.4
332.06793	1.1
335.05392	0.5
336.06183	0.8
337.06921	0.9
337.10654	7.3
339.08606	9.8
340.08942	0.4
347.09100	4.0
347.21930	0.5
349.07114	0.5
350.07855	0.6
354.07434	0.8
355.11633	1.5
365.10141	19.4
365.22961	2.0
366.10403	1.3
383.11157	63.8
383.23413	1.6
383.28400	2.2
384.11450	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	383.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96040	0.3
53.03947	0.7
55.01863	2.4
55.05501	0.7
57.03426	0.9
59.04995	0.5
62.71360	0.3
65.03930	0.9
67.01837	0.4
67.05489	0.9
68.99770	4.7
69.00108	0.4
69.03420	95.3
69.07064	0.7
69.34637	0.3
69.75933	2.1
70.03760	1.1
71.04977	0.4
72.08149	3.3
77.03917	0.5
79.01842	0.4
79.05483	5.1
81.03395	1.6
81.07034	1.6
83.04980	1.3
85.02883	1.9
91.05477	4.6
93.03391	0.6
93.07021	1.5
95.01301	0.4
95.04961	2.4
95.08612	0.8
97.02892	1.2
97.06499	1.7
99.00793	0.4
99.04435	2.1
101.05986	0.4
103.05470	1.3
105.03409	0.5
105.07026	2.1
107.04944	15.9
107.08587	0.9
108.05274	0.5
109.02866	0.8
109.06490	1.5
109.10172	0.6
110.02367	2.5
111.00790	1.1
111.04424	13.7
115.05420	1.4
117.06981	0.7
119.04930	7.2
119.08549	0.4
121.02803	1.9
121.06490	4.6
121.10136	0.4
123.04404	1.4
124.64551	0.3
125.02329	0.4
125.05977	7.1
127.03917	0.4
131.04944	1.6
131.08568	0.5
133.02831	0.6
133.06444	1.8
135.04399	43.2
135.11653	0.3
136.04729	1.0
137.02309	1.4
139.07440	0.4
141.01804	3.0
143.04910	0.7
145.06461	0.8
145.10167	0.4
147.04391	24.8
148.04767	0.9
149.02341	0.9
149.05966	3.2
151.03865	1.1
151.11206	0.4
152.07040	1.1
153.01808	16.1
153.05432	2.5
157.02763	0.4
159.04402	1.2
161.02298	0.5
161.05981	2.1
163.03885	2.4
165.01813	33.1
166.02174	0.9
167.03336	0.7
167.06993	0.5
167.14128	0.3
169.04942	0.7
169.09709	0.9
170.08101	0.6
171.02867	1.1
171.04402	2.7
175.03912	4.0
177.01814	5.2
177.05438	4.0
179.03346	3.7
183.02872	30.7
184.03175	0.7
189.01852	1.5
189.05431	3.8
191.03371	8.4
193.01328	1.1
193.04959	4.5
195.02866	8.8
195.06444	0.5
197.00772	1.9
197.04434	0.5
199.03864	1.4
201.05432	1.1
203.03372	17.4
203.14287	0.4
204.03760	0.3
205.01201	1.5
207.02878	2.5
207.06511	1.2
209.00742	0.9
209.04427	0.7
217.04941	18.2
218.05231	0.5
219.02859	7.8
219.06233	0.6
221.04405	12.2
221.15323	0.4
223.02373	0.7
227.03372	0.8
235.05939	3.0
237.03934	0.4
239.05290	0.7
243.02939	0.4
243.06415	0.5
245.04427	67.1
246.04790	2.7
248.08302	0.6
249.09007	0.4
255.06537	0.6
257.04623	0.4
263.05472	100.0
264.05786	4.5
271.05945	0.5
273.07510	9.4
276.07910	0.4
279.17133	0.3
281.06473	2.6
285.07544	21.9
286.07843	0.9
290.09250	0.4
291.10126	0.4
293.07986	0.7
295.05991	0.3
297.07565	4.7
298.04572	1.3
298.07660	0.4
299.05640	0.7
299.08969	0.6
305.07840	0.6
309.07431	1.1
311.05710	0.4
311.09079	0.5
313.07162	1.5
323.05444	0.5
323.09122	4.5
323.12747	0.6
325.07086	0.6
337.10513	1.4
339.08698	2.3
341.10138	1.2
347.09216	0.4
351.12088	1.3
353.10178	0.4
355.11600	0.5
365.10153	27.3
366.10513	1.8
377.79480	0.3
383.11044	13.4
383.14972	2.0
383.19498	1.4
384.11426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1119
Annotation	Hildecarpidin
Peak:m/z	Relative Intensity
51.30200	0.5
53.03926	0.7
55.01856	1.3
55.05505	3.1
57.03426	1.1
57.07071	0.9
59.77709	0.6
63.33474	0.5
67.05496	8.2
68.99781	1.0
69.03411	1.8
69.07075	3.1
71.05000	1.0
71.61944	0.8
79.05483	4.3
81.03416	1.7
81.07051	7.5
83.04980	1.4
83.08614	1.2
85.02890	1.4
91.05473	5.2
93.07041	4.8
95.04944	2.9
95.08591	3.5
97.02811	0.6
97.06509	2.3
103.03912	0.7
105.07024	4.1
107.04906	1.4
107.08588	4.1
109.06506	1.4
109.10141	5.8
111.04420	1.0
115.05430	0.7
117.06987	1.6
119.04915	0.8
119.08557	3.9
121.06493	0.9
121.10134	2.5
123.04415	2.3
123.08022	0.9
123.11681	0.9
125.09560	0.8
128.06244	1.2
129.07004	4.1
131.03398	0.7
131.04942	0.8
131.07022	0.7
131.08571	1.8
133.06476	2.1
133.10129	4.2
133.11035	0.7
134.03717	0.7
135.04408	1.0
135.08041	1.2
135.11682	1.5
137.05954	1.1
137.09590	1.0
143.08557	1.5
145.06471	1.4
145.10136	1.8
147.04413	1.5
147.11681	2.1
148.22609	0.6
149.05963	1.1
149.09642	1.2
149.13205	0.9
151.03911	1.7
151.11147	1.9
153.01830	1.0
157.06494	4.1
157.10106	0.8
159.07985	0.9
159.11678	1.2
160.05205	0.9
161.06018	1.4
161.09616	1.4
163.03900	1.6
163.07593	0.7
163.14787	0.8
165.05481	1.2
171.04277	0.8
171.11719	1.0
173.05989	2.2
173.11784	1.2
173.13263	1.1
177.09138	0.8
178.07762	1.0
185.05965	6.5
187.07541	0.9
188.04771	0.9
189.05437	3.4
189.16374	6.2
191.03403	2.5
191.17940	1.1
193.10226	0.7
201.05461	1.8
203.08568	0.8
206.05711	2.2
206.07407	1.0
207.08179	0.6
207.17407	1.3
213.05450	5.4
216.04129	0.8
219.08073	0.8
220.08829	1.1
221.09628	2.5
223.07512	1.1
229.04904	1.8
237.09138	0.8
241.05005	0.8
245.19017	0.8
247.07652	0.9
248.08270	2.2
249.09100	2.8
251.07007	1.4
253.04977	0.7
253.14488	0.7
257.04440	1.7
263.20081	0.6
265.08585	3.6
266.09354	2.5
269.04297	0.8
273.18506	3.2
276.07864	1.4
277.08609	3.2
279.06522	1.4
281.11658	4.6
282.12216	0.7
283.05933	4.3
285.03867	1.8
287.05356	0.8
290.05798	0.8
291.10275	0.6
291.19455	2.4
293.08054	2.7
294.08853	1.9
297.04013	7.4
297.07208	0.8
303.05728	0.7
304.07349	0.7
305.07947	4.4
307.05966	1.8
309.07526	2.5
309.11151	4.3
311.05521	1.1
313.07040	5.3
319.09677	0.8
321.07706	4.2
322.08340	18.9
323.08960	1.7
325.07025	1.6
327.08609	0.8
333.07587	1.3
337.10678	33.0
338.10968	3.5
339.08588	4.8
347.09058	1.8
350.07727	4.6
351.08334	0.7
352.51917	0.7
353.10461	0.7
355.11899	1.0
365.10165	100.0
365.22876	4.5
366.10541	7.7
383.11115	21.3
383.24539	3.3
384.11542	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	383.1121
Annotation	Artonin K
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	2.7
55.05516	3.7
56.96552	1.0
57.03423	2.3
65.03944	0.9
65.14624	0.8
67.05169	1.0
67.05498	14.4
68.99766	0.8
69.03421	2.3
69.07051	3.4
71.04984	1.2
79.05485	7.1
81.03428	1.0
81.07047	14.2
83.04957	2.0
83.08615	1.8
85.02896	1.1
85.06525	2.1
91.05460	9.3
93.03413	0.7
93.07042	8.4
95.04946	3.7
95.08595	7.4
97.02831	0.9
97.06520	3.0
97.10121	1.0
103.05431	1.7
105.07003	10.0
107.04957	3.5
107.08595	7.8
109.02872	0.8
109.06499	3.0
109.10143	11.2
111.04454	1.2
111.08059	1.4
113.06026	1.5
115.05446	1.2
117.07010	4.4
119.04922	1.2
119.08590	5.6
121.02890	1.2
121.06464	1.5
121.10128	3.4
123.04411	3.2
123.08053	1.6
123.11703	2.1
125.09641	1.4
128.06224	0.9
129.06973	4.4
131.04924	1.7
131.08527	3.0
133.06500	1.5
133.10089	7.2
135.04436	1.2
135.08052	9.4
135.11661	2.4
137.02312	1.4
137.05966	1.5
137.09592	1.3
143.08536	2.0
145.06496	1.8
145.10023	1.7
147.04382	2.6
147.08028	1.8
147.11658	1.8
149.02353	1.2
149.05942	0.9
149.09578	2.3
149.13257	2.0
151.03851	1.4
151.07510	1.0
151.11176	2.8
153.01782	2.7
157.06505	1.7
157.10107	2.3
159.04398	6.3
159.08002	1.8
159.11658	1.5
161.02315	1.3
161.09653	2.1
161.13295	1.5
163.07538	2.3
163.11024	1.0
165.06889	1.0
165.09174	1.0
171.11722	0.8
173.11760	1.8
173.13200	0.9
175.07555	0.9
175.11176	1.5
175.14771	1.2
177.09117	1.3
179.03528	0.9
185.05928	2.5
185.13174	0.8
187.07474	1.1
189.01752	3.9
189.05437	3.4
191.03294	1.1
191.17961	1.3
195.02872	1.5
199.07585	0.9
201.09016	1.1
203.03349	0.9
203.07007	2.1
207.02899	2.6
207.06503	1.0
211.13252	0.9
213.05453	23.9
214.05843	1.0
229.04939	1.5
231.06453	13.3
231.08502	1.1
245.09714	1.2
248.08138	0.9
249.07437	9.2
253.08636	1.0
253.14291	1.8
255.06508	1.1
255.17409	0.8
257.04358	0.8
263.19952	1.0
271.15573	1.3
273.18344	3.8
277.08698	1.0
281.08191	1.2
283.05939	1.8
285.03802	1.0
291.10168	1.4
291.19495	6.3
293.04468	2.0
297.03912	5.0
297.06921	1.1
299.05386	1.5
304.07379	1.5
309.07510	12.0
311.05533	7.1
311.08725	1.3
313.06897	1.5
319.09540	2.7
322.08228	1.0
323.05338	1.3
325.07077	2.3
327.08475	2.7
329.08072	2.5
331.05963	1.5
332.06650	2.4
333.07404	1.1
337.06995	1.1
337.10864	1.0
339.08609	9.6
340.09369	1.2
347.09113	27.3
347.21884	1.1
348.09506	2.1
349.07120	1.5
350.07681	2.5
351.08649	0.9
353.06482	10.0
365.10147	100.0
365.22922	7.3
366.10428	6.9
368.08865	2.1
383.11102	73.4
383.24234	6.2
383.28860	1.0
384.11581	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	382.1704
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
52.11698	0.6
53.81716	0.6
55.01876	0.6
55.05505	0.8
56.96569	0.6
57.07058	1.8
59.04981	2.1
60.04523	0.7
67.05484	2.1
69.03402	1.8
69.07047	2.4
70.02944	1.7
70.06579	2.0
71.62341	1.0
72.04510	7.5
72.08152	7.1
73.02900	1.9
73.08467	1.9
74.02415	0.8
81.03380	0.9
83.04974	0.9
84.08135	1.7
85.02890	4.4
85.06543	5.1
87.08056	0.7
88.77551	0.6
89.10787	1.1
90.05548	54.0
91.05445	0.8
95.04956	3.0
96.08123	1.0
97.02892	1.2
98.02411	6.0
100.03957	0.9
103.07585	3.5
110.02393	5.0
111.02734	1.3
113.05999	1.6
116.03457	8.4
119.04907	1.0
120.08110	1.0
122.03188	0.8
124.07588	8.4
127.03970	0.8
142.08607	4.1
147.04416	4.4
148.04771	0.8
152.07085	1.6
153.07402	1.4
160.09669	1.1
166.08636	1.0
169.09645	1.5
170.09979	0.8
174.11276	1.0
184.09711	9.1
202.10724	17.4
207.11227	1.0
210.05472	0.6
220.11786	100.0
221.12088	1.4
235.14314	1.6
235.64555	0.7
295.69580	0.7
382.14612	4.8
382.18738	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	382.1703
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.17303	2.3
54.94086	2.7
55.01869	15.0
57.07066	7.6
59.04997	2.8
60.67206	2.5
61.02922	3.3
65.14611	2.6
67.05491	5.0
69.03425	21.8
69.07055	10.2
70.02939	4.4
70.06585	7.7
71.03363	2.9
71.03690	5.0
71.04980	5.6
72.04516	30.5
72.08140	12.4
73.02911	17.4
81.03419	19.7
81.07046	5.4
83.04998	7.6
85.02904	23.3
85.06540	12.0
86.09687	6.9
86.43401	2.7
87.08139	3.4
89.89173	2.6
90.05549	58.6
91.05476	5.7
95.04961	8.4
96.08114	4.6
97.02882	19.8
97.06537	2.8
98.02419	16.9
99.04446	9.2
100.03972	8.2
103.07572	6.5
107.04897	3.4
107.94080	2.6
108.93536	3.0
109.02875	25.2
110.02405	4.8
113.06024	2.8
116.03445	27.0
119.74451	2.7
120.24490	3.2
124.07599	29.2
126.24944	2.5
127.03920	30.1
130.08624	3.7
131.04889	19.0
131.07057	4.1
132.06578	8.9
133.10204	3.0
137.05930	3.1
139.03876	4.0
142.08606	25.2
145.04956	8.0
147.04453	3.1
152.05594	4.3
152.07002	5.6
153.01746	3.3
160.09691	7.4
161.58327	3.0
166.08604	4.2
167.03117	2.8
167.07108	4.8
174.11234	4.8
184.09686	40.1
187.06079	5.2
199.05977	13.3
202.10744	100.0
211.09637	10.1
216.08714	5.3
217.07030	19.2
219.06519	5.8
220.11642	33.9
229.04971	3.3
230.10222	8.4
234.09720	16.6
262.12936	18.8
263.77704	2.8
302.17639	4.5
310.12912	9.6
320.18530	7.1
328.13892	61.1
332.19885	3.8
346.14926	15.6
349.04065	3.8
364.16025	42.4
365.10309	4.2
366.74008	3.2
382.13370	3.4
382.22345	9.2
383.11038	11.8
383.15067	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	381.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55592	1.1
55.05508	10.2
57.03425	3.1
57.07066	3.1
60.29028	1.1
63.30149	1.3
66.92561	1.2
67.05490	21.6
69.03413	1.5
69.07060	33.0
71.04967	4.1
71.08613	2.7
71.62254	1.9
72.08136	1.3
79.05482	13.7
81.07050	24.6
83.04949	3.9
83.08595	11.1
83.22628	1.3
85.06509	3.3
87.04385	1.3
91.05458	5.3
93.07031	20.3
95.04935	1.9
95.08599	24.3
97.06516	12.3
97.10149	2.2
99.08080	1.8
101.06010	1.4
105.06997	4.1
107.08576	19.1
109.06511	2.1
109.10141	17.0
111.08073	11.4
111.11707	4.8
111.48976	1.2
111.57907	1.2
117.07026	1.2
119.08552	5.4
121.10136	11.0
123.08094	1.9
123.11677	4.6
125.09595	4.7
131.08507	3.4
133.10095	4.7
135.11673	25.6
137.09641	1.7
137.13263	2.0
145.10062	7.1
147.04338	1.4
147.11687	2.8
149.13223	3.6
153.12733	9.8
159.11703	1.7
161.13223	1.4
163.11101	2.9
163.14848	2.9
165.16370	3.1
173.13263	2.4
181.12242	1.6
181.15845	14.6
183.17465	1.5
217.14317	13.4
283.83716	1.5
289.25272	11.6
297.31509	1.3
309.07596	1.6
325.06766	2.7
326.07480	1.5
345.27805	4.7
363.11984	4.0
363.28839	8.6
381.13510	9.0
381.29938	100.0
382.13702	2.1
382.30392	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	381.1805
Annotation	Vomicine
Peak:m/z	Relative Intensity
50.13968	0.3
51.80540	0.2
53.00305	0.5
55.01854	0.9
55.05507	1.2
69.67292	2.4
72.08148	6.3
77.94439	0.3
80.01351	0.8
82.02939	4.3
91.05478	0.7
91.61473	0.3
98.02407	3.9
99.68057	0.3
107.04945	1.1
107.21627	0.3
110.02396	100.0
111.02747	0.9
119.04947	2.6
132.73166	0.3
143.41614	0.3
145.06477	1.3
147.03226	0.4
147.04398	8.1
147.05504	0.6
152.07054	47.4
153.07417	0.6
169.09717	24.1
195.08063	0.3
213.09114	1.1
218.11772	0.5
235.14424	2.2
237.09175	0.6
247.07457	0.3
364.15292	2.3
381.18069	35.9
382.18506	0.7
398.95438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
55.05499	0.8
65.64722	0.4
67.05485	1.1
69.07047	1.3
71.63492	0.6
76.74881	0.4
77.77054	0.3
81.07043	1.2
83.08588	0.4
86.09692	0.4
91.05455	0.7
93.07036	0.8
95.08588	1.4
105.07029	1.0
107.08590	0.8
109.10162	0.6
119.08575	1.0
120.12148	0.4
121.02824	0.4
121.10099	0.6
133.10100	0.7
134.03622	1.3
135.11636	0.5
143.08557	0.5
145.06503	0.4
145.10065	0.5
147.11647	0.4
149.02382	0.5
149.09624	0.4
151.03876	0.4
151.11169	0.4
157.10089	0.4
183.11697	0.5
185.43298	0.4
187.03754	0.4
189.05376	0.4
191.03355	0.4
197.05923	0.4
215.07108	0.8
217.04878	0.5
221.04449	0.5
226.06247	0.7
232.07182	0.7
233.09897	0.4
235.05957	4.5
237.05460	0.5
239.06944	0.6
249.09196	0.5
250.08382	1.4
254.05806	0.7
255.06366	0.6
265.04901	0.5
265.08725	0.4
267.06555	1.3
269.04111	0.5
275.10651	0.4
277.08597	1.0
281.08112	0.7
282.05228	5.0
283.05798	0.4
284.06720	0.6
291.10178	1.1
292.10657	0.4
293.04477	0.5
295.06033	0.8
295.09683	1.5
296.06836	0.5
297.07468	4.4
298.04694	1.6
305.08047	0.6
309.07864	0.5
309.11169	1.3
310.11993	0.4
311.09174	1.1
312.06271	7.0
313.07089	2.1
314.07764	0.4
316.07483	0.4
319.09674	0.5
320.10394	0.6
321.11041	0.6
323.08960	1.8
324.06241	2.8
325.06952	1.6
326.07831	0.7
327.08630	11.8
327.12512	0.7
328.09012	0.9
331.09671	0.6
333.07452	0.4
334.08035	0.4
335.09088	1.2
336.06192	1.5
337.07190	1.8
337.10757	0.6
338.07755	1.0
339.08560	3.2
347.09116	1.1
348.09872	4.4
349.10718	1.3
351.08597	9.2
352.08963	0.9
353.10193	1.1
363.12317	4.3
365.10278	1.0
366.10938	16.1
367.11316	1.0
381.13312	100.0
382.13660	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1332
Annotation	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
51.92920	0.3
55.05513	0.5
57.02816	0.3
67.05488	1.2
69.06588	0.3
69.07064	0.5
69.71593	1.1
69.72025	0.9
79.05480	0.7
81.07037	0.8
91.05467	0.4
93.07032	0.8
95.08603	1.3
103.23332	0.3
105.07008	0.6
107.01334	0.3
107.04923	0.3
107.08584	0.4
108.08050	0.3
109.10130	0.6
119.08584	0.5
121.06499	0.3
121.10130	0.4
129.07039	0.5
131.08559	0.4
134.03625	0.5
135.11751	0.5
143.08493	0.4
143.85941	0.3
145.10086	0.7
147.11734	0.3
149.13226	0.3
151.03867	0.4
157.10172	0.3
161.06068	0.5
162.73090	0.3
178.23039	0.3
189.05431	0.4
190.02608	0.4
191.03290	0.6
191.39236	0.3
196.23225	0.3
201.05557	0.6
214.06329	0.3
215.07089	0.3
217.04980	1.0
218.36414	0.3
219.06516	0.4
232.07210	0.3
235.05960	1.7
250.08299	0.8
253.08589	0.4
267.06567	1.3
275.10654	0.3
277.08606	0.7
281.08063	1.0
283.09558	0.3
284.06808	0.6
291.10089	0.6
295.06195	0.7
295.09592	2.1
296.06812	0.9
299.08893	0.3
305.08167	0.4
307.05960	0.6
309.07504	1.6
309.11066	0.8
311.09161	1.4
312.06247	5.3
312.09555	0.6
320.10458	0.8
323.05441	0.5
323.09116	5.8
324.06317	1.2
324.09772	0.8
325.07126	0.4
325.10931	0.4
327.08609	6.8
328.09067	0.5
331.09613	0.9
333.07556	0.7
334.08252	0.9
335.09244	0.4
336.06332	0.8
337.06976	1.1
337.10605	0.4
338.07724	1.1
339.08655	3.4
339.12256	0.6
347.09308	0.7
348.09915	2.5
349.10373	0.7
351.08618	10.5
352.09332	3.4
353.10065	0.7
353.13925	1.1
363.12247	4.3
365.10223	0.9
366.10959	11.4
367.11377	0.9
381.13309	100.0
382.13702	9.9
398.20340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1331
Annotation	Multijuginol
Peak:m/z	Relative Intensity
67.05423	0.8
67.05733	0.3
69.03353	0.7
71.17087	0.8
72.10102	0.3
79.05397	0.6
81.44289	0.3
91.05377	0.9
93.06973	0.4
105.06898	0.9
107.04958	1.9
109.11913	0.3
119.04845	1.0
121.02837	2.9
123.04290	0.6
131.04805	0.6
133.02745	0.4
133.06384	0.4
135.04425	2.3
137.02217	0.3
143.08405	0.7
145.06351	0.6
145.10011	0.5
147.04265	1.5
149.05803	0.4
159.04285	0.5
159.07999	0.7
161.02296	0.6
171.04361	0.5
171.07947	0.8
173.05960	0.6
187.07475	0.4
189.05469	0.5
191.03345	0.6
195.07924	0.5
199.07439	1.0
201.09007	1.5
203.03267	0.5
203.07080	1.6
207.07988	0.4
209.04381	0.5
211.07323	0.5
213.09050	0.5
215.97379	0.3
223.07452	0.5
227.07028	3.5
241.08414	0.4
245.07869	0.9
246.10371	0.6
253.08496	0.7
255.06401	1.2
267.06412	0.9
274.09897	0.6
277.08331	0.4
279.06549	0.4
279.13574	0.4
281.08054	1.0
283.06003	0.8
289.12195	0.5
291.06534	0.4
292.07138	0.4
293.08057	4.0
294.08347	0.3
295.06186	0.8
295.09677	1.2
297.07498	2.0
302.09253	0.8
305.07977	1.2
306.08673	0.8
307.06183	0.5
307.09726	0.8
307.13165	0.6
309.07547	12.0
310.04733	0.6
310.07935	0.7
316.10974	0.4
317.11743	1.1
319.05911	1.1
319.09518	0.5
320.06738	0.9
320.10294	0.8
321.07617	4.8
321.11075	0.7
323.08957	0.6
325.07120	2.0
329.08023	0.8
331.09552	0.4
333.07611	4.2
334.08386	2.3
335.05682	0.4
335.09061	1.6
335.12427	1.8
345.11221	7.9
346.11475	0.5
347.09140	6.3
348.09860	3.4
363.12247	100.0
364.12598	7.6
381.13324	80.0
382.13705	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.133
Annotation	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
50.44540	0.2
56.96550	0.2
67.05493	0.8
69.07059	0.3
81.03446	0.2
81.07063	0.2
91.05439	0.2
105.03345	0.3
107.04971	0.2
107.17742	0.2
115.99100	0.2
123.69964	0.2
133.02780	0.3
134.03604	1.0
137.05956	0.3
147.04424	0.2
149.02338	0.4
149.05992	0.2
151.03885	0.3
154.69537	0.2
161.02420	0.2
180.83437	0.2
189.01785	0.3
189.05441	0.3
191.03340	0.4
195.07951	0.2
197.05966	0.2
202.02716	0.2
211.07446	0.2
214.06209	0.4
215.07043	1.0
217.04964	0.6
221.04407	0.8
222.05171	0.2
226.06216	0.3
232.07196	0.3
233.08014	0.4
235.05957	3.4
237.05377	0.3
239.06956	0.4
240.07654	0.3
241.04903	0.3
249.09178	0.4
250.08400	1.0
251.06950	0.4
253.04953	0.2
254.05699	0.2
255.06587	0.4
261.09134	0.3
265.05042	0.4
265.08347	0.2
266.05869	0.2
267.06442	1.1
267.10159	0.8
272.17624	0.2
275.10776	0.2
277.08566	0.6
279.06451	0.4
281.04605	0.4
281.08075	0.7
282.05209	3.8
282.08057	0.2
282.12317	0.3
283.05792	0.5
284.06812	0.4
289.08420	0.3
291.06631	0.2
291.10138	0.7
292.10831	0.3
293.11823	0.4
295.06274	0.4
295.09650	1.0
296.06851	0.4
297.07550	4.2
298.04623	1.2
298.08057	0.4
303.10083	0.2
305.08060	0.7
306.08859	0.3
309.07529	0.6
309.11160	1.2
310.04767	0.2
310.08432	0.2
310.12006	0.5
311.05536	0.2
311.09024	0.6
312.06238	5.9
313.06970	1.9
314.07776	0.5
315.08832	0.4
319.06244	0.3
319.09622	0.4
320.10419	0.4
321.11240	0.5
323.05713	0.3
323.09122	1.5
324.06256	1.8
325.06943	0.9
326.07715	0.3
327.08606	11.6
328.08932	0.8
331.09677	0.8
333.07602	0.4
334.08206	0.6
335.09210	0.8
336.06171	0.9
337.06973	1.3
337.10751	0.5
338.07825	1.0
338.11237	0.2
339.08615	2.6
339.12216	0.2
340.09109	0.2
341.10095	0.5
347.09143	0.9
348.09912	3.3
349.10608	1.3
350.11380	0.4
351.08606	7.9
352.09067	0.7
353.10034	1.1
363.12213	4.2
364.12573	0.2
365.10083	1.4
366.10953	14.0
367.11224	1.0
381.13293	100.0
382.13638	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	381.133
Annotation	Multijuginol
Peak:m/z	Relative Intensity
56.32313	0.2
65.03925	0.4
65.09055	0.2
67.05501	0.9
68.99737	0.2
69.97437	0.9
79.05478	0.4
87.94142	0.2
91.05485	1.2
93.03351	0.3
93.06985	0.2
95.04941	0.3
105.03352	0.5
107.04942	1.8
110.76408	0.2
115.05406	0.2
117.06930	0.2
119.04233	0.2
119.04945	1.8
121.02856	3.6
121.06425	0.3
128.06137	0.3
129.06969	0.4
131.04921	1.2
133.02811	0.5
135.04332	0.5
143.08493	0.5
145.02814	0.4
145.06473	0.4
147.04390	0.5
153.06943	0.4
155.08482	0.6
157.06421	0.6
159.04329	0.6
161.02267	0.4
163.03903	0.3
163.39700	0.2
165.01735	0.2
165.06927	0.3
167.08488	0.3
169.06345	0.4
171.04311	0.2
171.08005	0.8
175.03822	0.4
178.07759	0.3
179.08505	0.2
181.04968	0.2
181.06427	0.6
182.07281	0.3
183.08116	0.2
185.05959	0.2
185.59444	0.2
189.05455	0.4
189.07048	0.2
191.03371	0.7
191.08574	0.3
193.04922	0.3
195.08090	0.9
197.05930	0.4
197.09560	0.2
199.03905	0.2
199.07474	0.7
203.03346	0.7
203.06993	0.3
207.08037	0.2
209.04317	0.5
209.09532	0.2
211.07533	0.3
213.05382	0.6
218.07233	0.2
219.08037	0.5
221.09596	0.4
223.07498	0.4
224.08308	0.2
225.09259	0.2
227.06905	1.0
228.09248	0.3
231.08044	0.7
232.08749	0.3
235.07446	0.3
237.09055	0.5
239.06909	0.3
246.10277	0.6
247.07634	0.3
248.08144	0.2
255.06271	0.4
256.08859	0.5
261.08954	0.2
263.06998	0.4
264.07843	0.3
265.08722	1.0
265.11139	0.2
267.06451	0.3
271.11063	0.4
273.09122	0.2
274.09860	0.9
277.08521	0.3
279.06647	0.3
279.09747	0.2
280.07208	0.5
281.07861	1.2
283.05978	0.8
284.08420	0.4
289.08850	0.4
289.12180	0.6
290.09164	0.2
291.06519	0.5
291.10089	0.2
293.08047	4.6
293.11389	0.4
294.08176	0.5
295.05914	0.4
296.06900	0.4
297.07547	1.1
299.10495	0.3
301.08502	0.2
301.41824	0.2
302.09225	0.6
303.06546	0.2
303.10068	0.6
305.08081	1.6
306.08719	0.5
307.05951	0.6
307.09589	1.0
307.12946	0.3
309.07538	29.9
310.07849	1.7
317.08371	0.2
317.11786	1.0
318.08347	0.2
319.09680	0.9
320.06802	0.7
321.07629	8.2
321.11148	1.6
322.07993	0.6
323.09195	1.0
323.12454	0.2
327.09711	0.3
329.08194	0.4
330.08807	0.3
333.07581	4.0
333.11441	0.4
334.08325	3.0
335.09061	3.6
335.12759	1.1
336.09183	0.2
339.08762	0.4
345.11203	14.3
346.11609	1.1
347.09122	2.8
347.53860	0.2
348.09863	3.8
349.10336	0.4
353.10117	0.4
363.12228	51.0
364.12564	4.1
381.13293	100.0
382.13641	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	381.1327
Annotation	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
Peak:m/z	Relative Intensity
52.75492	0.2
53.89590	0.2
54.73930	0.2
55.01865	0.5
55.05487	0.4
56.06965	0.2
57.03430	0.3
57.07074	0.2
60.42068	0.2
65.03947	0.2
67.05501	1.6
69.03419	0.3
69.07056	1.0
71.63861	0.3
72.02923	0.2
72.17197	0.2
79.05477	0.9
80.78255	0.2
81.03413	0.3
81.07065	1.5
81.68926	0.2
83.01363	0.3
83.04967	0.6
91.05471	1.1
93.07025	0.9
95.04945	0.7
95.08597	1.0
97.02876	0.4
97.06530	0.2
105.03421	0.2
105.07017	1.1
107.04949	0.9
107.08573	0.5
109.06525	0.3
109.10138	0.5
117.07037	0.3
119.04954	0.3
119.08571	1.0
121.02882	0.3
121.06515	0.2
123.04429	1.1
123.08103	0.4
129.06975	0.2
131.08582	0.6
133.06505	0.2
133.10092	0.5
134.03625	0.9
135.04416	0.4
135.08018	0.3
137.02368	0.3
137.05956	0.5
143.08536	0.4
145.06441	0.5
145.10118	0.6
147.04399	0.4
147.08038	0.3
147.11679	0.3
149.02335	0.5
149.05928	0.4
149.09590	0.2
149.13367	0.2
150.68414	0.2
151.03954	0.4
157.10168	0.2
159.08121	0.4
161.09581	0.3
161.93132	0.2
163.03873	0.5
163.11151	0.3
167.03386	0.3
171.08148	0.3
173.13232	0.3
185.05936	0.3
185.13248	0.2
187.14845	0.4
202.06169	0.2
208.03656	0.4
211.07494	0.3
214.06125	0.3
215.07016	0.7
217.04892	0.4
221.04474	0.6
222.05128	0.3
232.07228	0.5
233.08018	0.3
233.15453	0.5
235.05943	3.0
237.05450	0.5
237.88103	0.2
239.07005	0.4
250.08363	0.8
251.07132	0.3
253.05127	0.3
254.05865	0.5
255.06390	0.3
263.07190	0.4
267.06552	0.8
267.10110	0.7
268.07132	0.3
269.08087	0.3
276.37000	0.2
277.08664	0.6
278.09286	0.3
279.06653	0.3
279.10269	0.4
281.04767	0.3
281.08072	0.5
282.05209	4.2
283.05789	0.6
284.06845	0.5
291.10162	1.0
292.10809	0.4
293.08154	0.2
293.11578	0.3
295.06064	0.5
295.09647	1.2
296.06705	0.4
297.07562	3.8
298.04797	1.0
298.07788	0.3
303.10153	0.3
305.08044	0.6
307.06006	0.6
309.07480	1.3
309.11203	1.6
310.04669	0.4
310.11887	0.6
311.09091	0.5
312.06256	4.8
312.09570	0.5
313.06970	1.7
314.07559	0.3
319.09470	0.4
320.10489	0.3
321.07675	0.5
321.11163	0.8
323.05676	0.3
323.08951	1.5
324.06323	1.8
324.09738	0.4
325.07028	2.2
326.07559	0.4
327.05029	0.6
327.08566	12.2
328.09103	0.5
331.09622	1.0
333.07904	0.3
334.08438	0.5
335.09085	1.3
335.18747	0.3
336.06265	1.1
337.07132	1.4
337.10605	0.4
338.07681	1.0
338.11456	0.4
339.08548	2.9
339.12180	0.4
340.09171	0.3
341.10168	0.5
345.10965	0.4
347.09204	1.0
348.09860	3.6
349.10504	1.4
350.07721	0.3
350.11548	0.5
351.08557	8.3
352.08942	0.4
353.10117	0.8
353.13928	0.3
363.08539	0.5
363.12286	5.2
364.12744	0.4
365.10086	1.0
366.10941	13.8
367.11337	1.0
381.13315	100.0
382.13647	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	381.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01849	2.4
55.05495	6.1
56.96291	3.7
56.96561	54.8
57.03419	3.9
61.02903	4.3
67.53193	2.1
69.03412	11.0
69.07046	2.3
70.06580	29.7
71.04987	3.8
71.60876	2.1
71.61217	2.6
72.08154	42.3
73.02903	6.7
73.06558	1.9
73.08466	1.8
74.06066	3.5
74.97608	2.0
81.03397	6.7
82.06568	2.1
84.08134	14.2
84.96026	6.1
85.02910	21.2
86.09692	10.2
87.04458	4.9
89.10764	5.5
91.05462	8.0
95.04948	2.8
96.08122	3.1
96.67551	2.1
97.02876	12.2
98.06036	6.8
98.97579	38.7
99.04455	4.3
100.99112	3.9
103.03918	2.4
107.04963	4.1
109.02806	3.6
110.02386	13.9
110.07161	2.6
110.97565	4.9
112.07541	2.2
112.99079	2.6
113.02318	2.1
115.00702	10.1
115.08669	3.1
116.07054	3.4
116.98605	30.4
119.00176	3.0
119.01865	1.9
119.04932	21.4
123.04442	2.0
127.03946	7.4
128.98579	17.9
129.10179	2.7
130.08658	3.0
131.00153	5.0
133.01712	28.3
134.99641	21.8
136.06204	3.3
137.01204	2.2
138.05527	2.5
141.10234	5.4
143.00172	2.1
145.06468	2.9
146.06049	4.0
146.99643	25.3
147.03229	5.1
147.04393	100.0
148.04741	8.3
149.01189	5.4
151.02780	8.2
151.03889	1.9
152.07039	10.5
152.98532	2.2
153.00700	2.5
158.99692	9.7
159.03311	7.6
161.01230	6.1
163.03946	3.7
165.00716	6.1
169.09721	12.3
170.99649	4.5
177.00676	17.6
177.04312	37.7
177.05721	3.0
179.02296	2.7
187.07524	2.2
189.00690	8.9
195.05421	38.9
201.00761	3.5
205.00212	2.4
210.06538	2.5
213.12421	10.7
218.11728	31.2
219.01741	32.7
219.05359	5.7
219.11951	5.4
226.63065	3.6
231.05411	6.6
233.07030	2.6
234.98888	2.3
235.14384	34.6
235.64514	4.9
236.14848	2.7
237.02817	99.6
238.03116	2.6
242.03406	3.2
255.03783	10.7
255.06308	3.0
255.57875	3.1
260.04410	4.7
261.02649	3.4
263.08133	2.4
269.05331	4.5
286.10931	2.3
291.07806	2.9
298.06531	2.1
309.08600	7.8
321.02567	3.0
321.08521	61.0
339.09619	78.4
345.18060	5.5
362.11273	2.7
363.19034	7.5
381.10947	63.1
381.20114	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0964
Annotation	Preussomerin EG3
Peak:m/z	Relative Intensity
53.03946	0.3
55.01855	0.6
55.05497	0.7
65.03935	0.5
67.05482	1.1
69.03391	0.7
69.07040	1.2
71.20953	0.3
71.21324	0.7
72.08129	0.4
79.05461	1.2
81.03382	0.4
81.07053	1.8
83.04974	0.6
85.06520	0.4
86.59847	0.3
91.05453	1.5
93.03378	0.7
93.07027	0.8
95.04939	0.6
95.08571	1.3
97.02876	0.7
97.06522	0.4
103.05431	0.8
105.03374	0.8
105.06377	0.4
105.07019	4.6
107.04922	0.4
107.08563	1.4
109.02869	0.4
109.06538	0.5
109.10113	0.8
110.02377	0.9
115.05476	1.8
116.43262	0.3
117.07015	1.7
119.04922	1.4
119.08578	1.2
121.02818	0.3
121.06464	0.4
121.10120	1.0
122.05998	0.3
123.04408	0.7
123.11663	0.5
125.09563	0.3
127.03923	0.3
128.06206	0.5
129.05440	0.4
131.04951	0.5
131.08546	0.6
133.06483	2.8
133.10129	0.8
135.08066	0.4
135.11662	0.9
137.02318	1.0
143.08487	0.4
145.02818	0.8
145.06485	1.7
145.10089	1.1
147.04390	0.7
147.11641	0.5
151.07570	0.3
152.07011	0.5
157.10123	0.4
159.04405	0.7
159.11655	0.6
160.05153	0.7
161.02312	0.8
161.05962	18.8
162.06258	0.4
163.14708	0.3
171.11635	0.3
173.05960	2.7
173.13156	0.4
175.03920	1.1
175.07567	0.3
175.14754	0.3
177.05447	0.8
177.12672	0.3
185.05894	0.6
189.05412	0.4
189.09102	0.4
195.02872	0.3
201.05504	1.4
203.03362	0.3
203.06937	0.4
216.04070	0.9
219.06421	0.7
229.04933	60.9
230.05281	1.9
234.39207	0.3
247.05984	32.2
248.06268	0.8
258.27225	0.3
265.06927	3.1
277.08298	0.3
289.05038	0.7
303.06470	0.5
304.07156	2.2
305.07803	0.4
309.07507	0.5
310.04544	0.3
311.05643	1.4
317.04404	1.1
321.07507	0.9
325.03574	0.4
325.06866	1.7
331.05884	0.4
332.06772	4.5
333.07217	0.5
335.09085	0.6
339.08514	0.5
345.07504	1.9
349.06903	0.7
350.07578	0.8
353.09973	0.8
363.08557	16.0
363.12299	0.6
363.25226	0.4
364.08936	1.2
381.09610	100.0
381.26047	3.3
382.09927	6.7
382.14682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55934	9.7
69.56336	2.7
79.13232	1.1
85.73321	1.2
93.92234	1.3
94.93009	3.1
110.88522	1.1
112.89617	2.8
137.56833	1.1
154.95117	1.2
157.78403	1.2
161.41463	1.1
175.04472	1.9
189.02391	1.3
192.58826	1.3
202.89223	1.7
266.67264	1.5
381.07938	100.0
382.08380	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	380.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91842	0.4
53.03929	1.2
53.11203	0.4
55.05267	0.6
55.05510	10.0
57.03424	1.1
58.06596	2.9
59.04988	1.4
61.02909	0.8
65.03934	0.4
67.05498	1.1
69.03425	4.0
70.06584	1.1
70.78681	1.1
71.04979	1.3
72.08150	5.5
73.02902	1.8
73.06208	0.5
73.06555	4.7
81.03407	2.3
83.04980	5.0
84.08138	43.4
85.02897	13.2
85.03419	0.6
85.06546	1.3
85.08457	0.5
86.09689	0.4
87.04458	1.1
94.72358	0.3
97.02868	2.7
98.06065	0.5
99.04457	1.6
100.11259	2.1
101.02441	0.4
101.06010	23.0
104.55023	0.4
107.04974	0.7
109.02862	1.5
109.03996	0.8
110.02384	2.9
111.04420	1.2
113.06013	0.6
114.06404	0.4
119.04917	1.0
121.10062	0.5
127.03924	2.6
128.10706	25.6
129.05399	0.4
143.07019	0.5
145.04959	0.8
145.08434	0.4
146.11748	20.2
147.04420	3.2
147.12091	0.7
151.08667	2.7
152.07053	1.6
166.89198	0.4
169.09731	0.7
183.06516	0.5
188.12769	2.2
191.11481	0.8
192.44051	0.4
212.08322	0.4
218.11853	0.8
218.13788	0.7
230.13902	2.1
235.14413	0.9
248.14964	2.4
272.14978	3.4
290.15961	24.1
308.16980	0.6
362.21741	0.9
380.22809	100.0
381.18210	1.1
381.23209	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	380.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
54.30037	0.5
55.05508	11.7
57.03442	1.6
58.06596	3.2
59.05006	2.0
61.02921	1.1
67.05508	1.1
69.03426	6.9
69.04602	0.6
69.07051	0.6
69.43150	6.1
70.06591	3.0
71.05000	1.5
72.08150	9.5
73.02930	2.9
73.06551	5.9
73.77196	0.6
81.03410	5.0
81.07066	1.0
83.04981	5.7
84.08137	52.9
85.02897	17.6
85.06557	2.4
86.06059	3.0
86.09714	1.7
87.04459	3.0
89.10799	0.7
91.05460	1.2
95.94218	0.6
97.02885	4.7
97.06556	0.8
97.98615	0.7
98.06089	0.8
98.09701	1.1
98.97575	1.3
99.04458	1.4
100.11272	2.4
101.02468	0.6
101.06009	25.0
103.03960	0.6
107.04904	0.9
109.02899	3.2
110.02399	6.3
111.04471	1.4
111.05643	0.6
114.05493	0.7
115.08721	0.7
116.98688	0.9
119.04959	2.3
124.03900	1.0
127.03914	4.8
128.08226	1.1
128.10710	33.2
129.05545	0.6
129.11069	0.8
134.99648	0.7
137.06001	0.7
142.05026	0.9
145.04958	1.5
145.06560	0.6
146.09328	1.5
146.11745	24.0
147.04395	10.8
151.08675	1.4
152.07045	3.8
161.01100	0.7
167.06995	0.8
169.09766	2.6
188.12846	2.0
191.11595	0.7
218.11838	2.7
218.13716	1.0
219.01816	0.6
225.00002	0.7
230.14050	1.5
234.99072	1.1
235.14531	0.9
237.02809	0.7
248.15033	2.2
254.13945	1.0
272.14862	4.8
290.15964	25.7
291.16733	1.4
321.06287	0.7
362.21463	0.8
380.22913	100.0
381.08057	1.3
381.18268	2.7
381.23322	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	380.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01854	1.4
55.05494	3.6
56.05019	1.8
56.96550	1.0
57.03417	2.4
57.04541	3.8
58.06589	0.9
59.04993	1.1
61.02893	0.9
65.03941	1.0
68.05007	1.5
69.03423	10.2
69.07043	1.1
69.56738	1.7
69.57143	5.9
70.06585	11.7
71.04986	1.2
72.08148	16.6
73.02909	2.1
74.06062	1.6
74.07178	1.1
79.05490	0.9
81.03389	3.0
81.07031	1.1
81.61131	1.1
82.06579	1.0
83.04975	2.0
84.04488	4.5
84.08142	7.0
85.02898	14.4
85.06544	1.0
86.06059	31.8
86.09675	2.2
87.04458	12.3
91.05466	7.1
97.02877	5.2
97.07639	1.0
98.06036	3.0
98.09641	1.4
98.21490	1.0
98.97601	1.0
99.04451	1.2
100.07580	1.4
101.06051	4.6
104.07075	4.8
106.06525	0.9
107.04925	2.7
109.02848	2.3
110.01668	1.0
110.02393	12.3
110.07160	0.9
111.04482	1.0
111.05531	1.8
112.07561	1.3
113.05989	0.9
113.88857	0.7
114.09153	3.9
116.01710	1.2
119.04939	25.6
120.05252	1.3
120.08027	1.1
121.06405	0.9
121.10062	0.9
122.05956	1.3
123.09142	0.8
124.07588	1.3
125.07111	8.6
127.03896	5.5
128.07066	2.2
128.10698	1.3
129.05476	1.5
130.04965	2.9
131.05228	1.5
132.10136	0.9
134.06021	10.1
136.07565	58.9
137.07004	1.3
137.07928	1.8
140.07018	1.0
142.09760	2.0
143.08113	1.7
144.01169	1.0
145.04927	2.1
146.08128	0.8
146.11737	1.3
147.04390	10.8
151.08627	1.4
152.07062	7.4
156.04733	3.0
158.06020	0.8
158.99619	1.0
160.09630	1.2
160.10806	10.3
162.02188	1.4
169.09660	3.7
180.06540	3.9
201.00673	1.5
201.06895	12.5
202.11931	1.7
218.08134	1.7
218.11708	2.6
230.10243	1.5
234.07861	4.2
235.14368	2.3
239.16705	0.8
248.11247	1.7
251.10536	2.1
273.15933	1.0
276.14304	1.4
281.07806	0.9
290.16071	1.5
294.15662	4.3
304.14941	2.8
362.17554	1.6
380.20120	100.0
381.07816	2.2
381.17459	3.6
381.20480	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	379.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
53.26060	0.5
53.83783	0.5
55.01864	3.2
55.05501	5.3
57.03198	0.6
57.03434	4.7
57.07061	1.7
58.42391	0.6
59.04995	1.1
61.02905	0.6
62.30547	0.5
65.03921	0.6
67.05492	7.8
69.03405	3.0
69.07057	24.5
70.06567	1.5
71.04984	3.5
72.08144	5.4
74.66493	0.6
75.13293	0.5
79.05479	19.4
80.05843	0.7
80.06268	0.6
81.03412	1.8
81.07043	17.5
83.04977	1.6
83.08599	2.1
84.04510	0.5
84.08135	1.1
85.02892	1.6
85.06542	4.6
86.09706	1.2
88.03989	1.3
89.03893	1.8
89.10774	1.1
91.05463	5.4
92.05823	0.9
93.07032	7.2
95.04945	3.1
95.08598	8.8
97.02869	2.3
97.06517	63.8
98.06045	1.5
98.06849	0.7
99.04427	0.9
99.08072	1.6
101.05983	0.7
105.07001	4.5
107.04945	1.3
107.08569	5.5
109.02858	2.8
109.06522	1.7
109.10146	8.7
111.08067	8.1
111.11713	1.3
112.08845	2.2
115.07533	0.7
115.08684	4.1
117.03376	2.1
117.06988	1.5
119.04910	1.7
119.08559	3.4
121.02822	0.6
121.06467	1.0
121.10123	4.9
123.04404	1.4
123.08084	1.2
123.11678	5.1
125.09610	0.9
127.03915	0.8
127.11179	1.3
129.06990	1.0
129.08269	0.6
129.09067	4.0
131.04890	0.9
131.08551	2.1
133.02827	4.6
133.10110	3.1
134.04451	0.9
135.04381	4.6
135.08025	1.1
135.11661	3.8
137.06065	0.7
137.09634	0.6
137.13252	1.4
141.06944	0.6
143.08473	0.7
145.02840	6.3
145.10109	2.1
146.05931	0.6
147.04405	5.0
147.11649	2.2
149.05940	0.9
149.09695	0.6
149.13254	2.2
151.03900	0.8
151.14793	0.6
153.12712	0.9
154.14240	0.6
157.06415	1.3
157.10155	0.8
159.04402	3.5
159.08067	1.1
159.11667	1.3
161.02333	11.9
161.05940	0.8
161.13234	1.4
162.03047	0.7
163.03882	40.8
163.14793	1.5
164.04184	1.5
165.12732	0.8
167.07071	1.3
167.08527	1.3
171.11618	0.8
171.13751	1.9
173.02321	92.4
173.13232	0.7
174.02686	2.7
175.03944	2.7
175.11276	0.7
175.14813	0.9
177.05406	6.6
177.16415	0.8
183.08098	0.6
185.05942	4.3
185.09647	0.8
187.03922	3.1
187.07582	1.5
187.14819	0.9
189.09154	0.8
191.17899	1.1
195.08029	3.4
197.05986	1.8
199.03873	2.7
199.07477	0.6
201.05449	1.2
207.06456	3.2
211.07498	0.9
213.05487	1.5
213.09052	3.8
215.06996	100.0
215.17937	0.7
216.07320	3.8
219.10158	0.6
223.07533	1.8
229.08510	1.0
241.08560	34.3
242.08864	1.1
244.09740	0.7
251.19824	0.6
259.09625	86.9
259.24146	0.7
260.09955	2.7
271.24261	0.8
273.11172	87.9
274.11523	3.8
277.10651	6.6
289.25278	2.0
291.12213	13.8
295.26419	0.8
307.26132	2.9
325.23914	0.6
325.27231	3.1
329.18582	4.4
330.16852	1.0
347.19559	1.8
361.11819	0.6
361.21130	14.4
362.19464	6.8
372.06744	0.6
379.08130	2.2
379.22165	49.6
380.13150	1.4
380.22665	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	379.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51280	0.7
55.01852	1.7
55.05508	1.5
56.66245	0.7
57.03414	2.7
59.04966	1.2
61.02917	1.8
67.05486	2.1
69.03399	0.9
69.07061	23.1
69.97424	2.5
69.97847	1.4
70.06550	0.7
72.08157	4.9
79.05482	8.6
79.41530	0.7
81.07029	2.1
85.06534	1.8
85.69279	0.7
87.08104	1.8
89.03906	1.4
95.04977	0.9
97.06519	81.7
98.06021	1.3
98.06815	0.9
103.48480	0.7
107.04907	1.1
111.08076	2.2
115.08663	3.5
117.03352	2.8
127.10949	0.7
129.09106	3.1
133.02859	2.7
135.04404	5.5
145.02821	5.1
147.04391	1.9
148.72855	0.8
159.04402	7.3
161.02332	26.7
163.03883	55.3
164.04243	0.9
173.02322	60.3
174.02687	2.2
185.05956	2.8
187.03865	1.1
187.07574	1.3
197.05960	1.4
213.09047	1.1
215.07005	91.8
216.07430	3.7
223.07562	0.9
224.49222	0.7
241.08574	9.9
259.09637	20.7
273.11194	10.5
277.10724	0.8
288.15515	1.0
291.12238	100.0
292.12540	4.2
297.04636	0.7
329.18539	8.2
347.19589	6.1
361.17297	0.9
361.20993	4.6
362.19510	6.6
366.13568	0.8
379.22226	43.0
380.22589	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	379.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.82317	0.8
55.01868	1.9
55.05503	4.0
57.03426	3.7
61.02919	1.2
63.50468	0.9
67.05497	4.7
67.85796	0.8
69.03425	1.7
69.07060	23.7
70.06571	5.1
70.15767	2.6
70.16171	2.2
71.04979	1.9
71.67970	0.7
72.08151	31.5
79.05489	14.4
81.07055	11.3
82.06564	1.6
83.08607	1.3
84.08133	4.4
85.06538	7.4
86.09708	1.3
89.03915	1.3
89.10766	1.9
91.05459	2.2
93.07037	3.6
94.61794	0.8
95.04945	2.5
95.08589	5.4
96.08121	7.9
97.02866	1.0
97.06523	74.3
97.08911	3.8
98.06062	1.2
98.06862	0.9
98.09680	2.6
98.20852	1.0
99.08061	2.1
99.09221	3.3
105.07001	2.0
105.96607	0.8
107.04917	2.6
107.08578	3.3
108.08141	2.2
109.10134	4.1
110.09660	1.6
111.08064	3.4
112.11251	1.4
113.09705	0.9
115.08692	2.1
117.03367	2.9
119.04976	1.7
119.08561	2.0
120.08088	1.1
121.10124	2.4
122.09650	1.6
123.11675	2.8
129.09056	2.4
133.02840	2.4
133.10139	1.3
135.04425	5.0
135.11740	2.2
136.11189	3.4
139.11214	2.1
141.06961	1.7
145.02817	6.3
145.10062	1.1
147.04390	2.7
147.11667	1.7
150.12785	3.1
151.13452	2.1
152.14311	2.5
159.04395	7.3
159.08121	1.8
161.02330	25.7
161.13179	1.1
163.03896	51.2
163.14775	1.1
164.04146	1.1
167.15422	2.8
168.16223	14.3
169.06406	1.1
173.02328	53.2
174.02643	1.5
175.59377	1.0
185.05962	6.5
187.03920	1.0
187.07509	3.1
189.16466	0.9
191.03279	0.9
195.08104	1.2
197.06012	1.8
211.16866	1.0
213.09109	1.9
215.07010	95.9
216.07382	4.1
220.11694	0.9
227.71214	0.8
241.08598	7.3
249.56017	0.9
259.09641	44.5
260.10025	1.7
273.11224	6.8
274.83911	1.1
277.10709	3.2
289.25235	1.7
291.12241	52.0
292.12509	3.2
304.04730	1.0
307.26144	2.6
311.17484	1.3
312.15881	5.3
325.27466	2.7
327.82910	0.9
329.18570	100.0
330.16022	0.9
330.18860	4.2
347.19620	54.7
348.20010	3.9
361.21158	7.9
362.13885	2.6
362.19684	2.5
379.08026	3.3
379.12253	1.1
379.16650	3.0
379.22177	22.9
380.22189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94502	1.0
53.05641	0.8
55.01876	2.1
55.05516	4.2
56.05032	1.3
56.96564	15.0
57.03450	1.9
57.14034	1.0
58.06588	1.8
61.02913	1.5
67.05507	0.9
69.03431	6.9
70.06586	13.8
70.17488	3.5
71.04977	2.0
72.04507	4.1
72.08152	100.0
73.02923	2.1
73.08475	1.4
74.97624	1.0
81.03414	2.5
82.06579	1.2
83.04984	2.4
84.04504	2.7
84.08136	11.4
84.96033	2.0
85.02896	10.2
85.08462	1.4
86.06074	2.1
86.09707	7.6
87.04460	1.1
89.10796	7.8
89.40527	0.9
91.05483	3.6
94.06557	1.2
95.04980	1.0
96.04548	1.1
97.02874	8.7
98.06053	4.0
98.09705	4.9
98.97585	12.6
99.04407	2.0
100.07597	4.2
101.06027	3.3
105.07033	1.3
107.04958	1.8
107.08561	0.9
108.08131	1.0
109.02876	8.1
110.06036	1.2
110.07194	1.5
110.97536	1.3
113.07085	1.0
115.08682	1.9
115.12350	2.0
116.98596	11.4
117.03198	0.8
119.01916	3.1
119.04969	7.1
123.04408	1.2
124.07588	0.9
127.03924	4.3
128.10704	3.9
128.98630	3.8
130.08633	2.6
131.00191	1.3
131.01891	2.1
131.04951	1.0
132.10196	2.2
133.06476	1.4
133.10168	1.0
134.06001	2.0
134.99663	7.9
136.06123	1.3
137.06024	2.4
138.05544	1.9
140.00240	0.9
140.07034	1.3
143.00188	1.9
145.03525	1.1
145.04922	1.0
146.08142	1.0
146.99632	5.2
147.03238	1.8
147.04396	35.8
148.03745	1.6
148.04767	2.3
148.07535	1.2
149.01253	1.8
150.05505	1.0
152.06989	1.9
153.00800	1.1
157.07652	1.2
158.06017	1.7
158.99681	4.7
161.01218	4.3
161.02832	2.2
162.09149	1.6
162.99059	1.1
165.00710	3.5
166.08653	1.5
173.01324	1.9
173.02937	1.4
175.02821	2.7
175.04428	1.4
177.00706	8.5
177.02278	1.4
177.04205	0.9
178.04987	3.2
180.10265	5.4
181.10577	5.4
183.01694	1.2
189.00729	2.2
190.98692	1.3
191.02261	1.8
191.03937	1.2
193.03802	1.4
195.01721	1.4
198.04398	0.9
198.11258	2.7
199.11607	4.1
201.00700	1.2
205.00267	1.6
206.98094	1.1
208.99646	2.3
217.03772	2.0
217.05586	2.1
217.12474	0.9
218.11783	14.0
219.01715	4.8
219.03595	1.1
221.04961	1.9
223.01144	1.3
223.07549	1.1
226.63123	2.7
227.00232	1.1
227.07053	1.6
227.13173	1.2
233.12817	1.0
235.04930	1.1
235.14415	10.1
235.64676	1.5
237.02792	7.7
245.01547	2.2
245.08522	1.0
255.06490	1.7
259.01068	1.3
260.57172	1.2
263.00903	1.1
269.05487	2.8
279.03879	1.8
280.07016	3.6
282.10126	1.0
293.14279	1.7
298.07886	1.4
305.03595	2.8
308.17126	2.5
319.12354	1.6
320.08838	1.3
326.13913	6.1
337.08246	2.3
343.16510	14.5
344.14966	1.6
344.73337	1.1
361.13452	1.7
361.17557	24.3
362.13947	2.1
363.16837	1.2
379.11084	2.2
379.18515	6.0
379.21512	6.2
380.19632	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	379.1576
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.05489	1.7
56.05019	1.0
69.03400	1.7
70.06590	4.8
71.04971	1.0
71.62353	0.8
72.08153	17.1
74.06061	0.6
81.03383	1.6
84.08134	3.5
85.02898	3.8
86.06042	1.0
86.09668	1.4
87.04439	1.2
89.10746	1.6
91.05460	0.9
95.01288	0.6
97.02865	1.8
98.06057	0.9
98.09669	1.8
98.97533	0.7
99.04396	0.8
101.06007	1.0
107.04932	1.1
109.02827	1.1
115.08597	0.9
116.54610	0.5
116.98594	1.5
119.04906	1.3
120.08031	0.7
127.03897	1.9
128.10698	0.7
129.10213	0.7
130.06474	1.0
135.04424	0.6
136.07558	0.9
137.06000	0.7
144.08058	1.7
145.02811	0.6
147.04375	7.0
149.05930	5.6
151.08705	0.8
162.02908	0.5
162.83536	0.5
163.03844	1.8
177.00726	0.6
177.05409	0.7
180.10088	0.8
181.10434	0.7
199.11731	0.6
200.07057	0.8
204.06342	0.6
217.08704	0.6
217.10524	9.1
218.08043	1.9
218.11649	1.6
234.98917	0.7
255.04073	0.7
260.12769	3.8
263.09094	1.6
277.15533	0.6
290.10263	1.2
290.16077	0.9
291.04871	1.1
326.13663	0.9
337.17725	1.3
343.16388	1.4
361.17218	2.0
361.21164	0.6
362.16309	2.5
379.15540	100.0
380.16052	4.2
380.20068	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	379.1174
Annotation	Pongachromene
Peak:m/z	Relative Intensity
50.32753	0.5
55.05502	0.9
55.29819	0.4
56.96564	0.5
57.07063	0.5
65.03919	0.5
67.05509	1.7
69.07050	1.0
69.74319	1.0
69.74736	2.3
70.06592	1.0
71.27467	0.4
72.08151	1.6
79.05485	0.7
81.07039	1.4
85.75605	0.5
88.07629	1.0
89.10793	0.4
89.81566	0.4
91.03943	0.5
91.05511	1.1
93.07033	0.9
95.08599	1.3
97.02906	0.5
102.09175	0.7
102.10280	0.4
105.03379	3.0
105.07009	1.2
107.04954	0.8
107.08582	0.7
109.10211	0.5
119.08497	0.5
120.34801	0.4
121.02879	1.7
121.06496	0.4
131.04845	0.5
133.10130	0.6
134.03731	0.7
134.41737	0.5
135.04417	1.0
135.11624	0.6
137.76530	0.4
145.06462	0.5
149.05984	4.6
150.06371	0.9
157.06467	0.6
157.10056	0.5
159.76779	0.5
189.05434	0.5
207.03027	0.6
207.08130	0.5
213.05363	0.7
244.08879	0.6
251.07095	0.6
256.26364	2.1
257.26736	1.3
267.06540	0.6
268.07275	1.2
279.06799	0.6
281.08005	2.8
283.05975	0.8
288.11465	0.6
289.08597	0.7
290.09433	0.8
291.06476	0.9
292.85336	0.4
293.08276	1.2
293.78598	1.6
294.05270	1.6
294.12112	0.6
295.05933	2.1
296.06973	1.4
297.07596	1.8
303.09995	0.5
305.11737	0.6
307.06003	3.4
307.09692	1.4
308.06686	1.6
309.07486	2.9
310.04770	0.5
311.21487	0.4
315.04041	0.5
315.10229	0.5
317.07907	0.7
318.08844	1.4
319.06149	0.6
321.07559	14.6
321.11169	0.9
322.08337	0.8
323.05603	1.3
325.07016	10.7
332.10541	0.8
333.11142	1.6
335.09091	8.3
336.09888	3.5
337.07028	3.5
337.10718	0.8
343.09579	1.0
346.08347	1.3
350.07504	0.7
350.11441	1.0
351.08545	1.5
351.12366	1.1
358.16431	0.6
361.10818	5.7
364.09418	1.8
378.30188	2.5
379.11761	100.0
379.30298	5.3
380.12137	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	379.1173
Annotation	Robustone methyl ether
Peak:m/z	Relative Intensity
53.03889	0.5
55.54071	0.4
58.06564	0.8
64.53931	0.4
65.03901	0.9
67.03490	0.4
67.05466	0.8
69.03404	0.8
69.07027	0.4
69.54237	1.7
69.54668	2.0
72.08103	0.9
75.79503	0.4
77.03871	1.8
79.05446	0.5
81.06996	1.6
85.02860	0.5
85.06486	0.5
89.39016	0.4
91.05438	0.4
93.03415	5.1
93.07027	0.7
95.08556	0.9
97.02816	0.5
98.20735	0.7
105.03390	2.6
105.06953	0.9
107.04866	1.2
107.08537	0.6
109.06519	0.6
109.10100	1.2
121.02869	2.3
121.10104	0.7
123.04396	1.0
132.10219	2.5
133.02864	2.4
133.03653	0.4
135.04349	0.6
135.11661	0.7
147.04379	0.7
159.08055	0.5
159.11658	0.6
161.02332	10.5
161.13101	0.5
165.06956	0.8
171.11615	0.6
179.03296	1.1
189.01813	30.5
190.02077	0.5
190.17212	0.4
193.06407	0.5
207.02876	49.2
208.03206	0.7
213.05363	0.8
221.05927	1.2
249.05312	0.8
253.60472	0.4
277.04910	1.6
286.27362	2.0
287.27643	1.1
289.08478	0.5
293.08267	0.5
305.04407	30.2
306.04865	0.8
310.04834	0.5
321.07623	0.6
323.05478	100.0
324.05829	2.6
325.07236	0.8
337.06857	0.6
346.08340	1.4
361.10623	2.6
362.14771	0.6
364.09436	1.7
378.32230	5.2
379.11749	26.4
379.32852	3.5
380.12241	1.5
395.19571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1173
Annotation	5-Methoxy-6'',6''-dimethyl-3',4'-methylenedioxypyrano[2'',3'':7,8]flavone
Peak:m/z	Relative Intensity
55.01862	0.4
55.05498	0.2
57.03445	0.2
63.21001	0.2
63.95245	0.1
65.03922	0.4
67.05492	0.6
68.99778	0.2
69.03396	0.2
69.07059	1.2
71.71570	0.2
79.05482	0.6
81.03423	0.4
81.07044	0.5
89.03916	0.4
91.05476	1.5
93.03380	0.6
93.07019	0.5
95.04958	0.4
95.08606	0.2
103.05439	0.2
105.03365	0.3
105.07004	0.7
107.04945	2.1
107.08578	0.3
109.02870	0.2
115.05466	0.3
117.03384	0.4
117.07014	0.6
119.04955	0.6
119.08566	1.3
120.99063	0.2
121.02847	0.5
121.10096	0.3
123.04432	1.1
128.06206	0.5
129.06999	0.9
131.04921	0.3
131.08557	0.5
133.02838	0.4
133.06430	0.2
135.04401	2.4
135.11664	0.2
137.02309	0.6
137.05969	0.2
141.06990	0.4
143.08572	0.4
145.02835	1.2
145.03822	0.2
145.06477	0.5
145.10126	0.2
147.04401	1.9
147.08054	2.0
149.05980	0.2
153.06996	0.2
155.08466	0.2
157.06511	0.3
157.10103	0.2
158.04529	0.2
159.04315	0.2
159.08051	0.6
159.11687	0.3
160.05167	0.2
161.02333	1.2
161.05937	0.2
163.03880	2.9
163.27776	0.1
165.07004	0.4
169.06453	0.6
171.04523	0.2
171.07974	0.3
173.02361	0.4
173.05949	0.4
175.03923	0.3
175.07516	2.3
177.01828	0.5
181.06506	0.3
183.08075	0.2
184.05205	0.3
185.06010	0.5
187.04016	0.2
187.07550	0.5
189.01807	5.7
189.05473	0.2
190.02228	0.2
191.03389	0.7
193.06415	0.3
197.05959	0.5
198.06737	0.2
199.03860	0.2
199.07587	0.2
200.04666	0.6
201.01855	0.8
201.05481	0.7
201.09108	0.2
203.03371	0.2
205.57751	0.2
207.02873	9.5
208.03171	0.2
209.06070	0.2
211.07503	0.5
213.05440	0.5
215.03392	0.4
215.07028	0.6
218.06529	0.2
219.02843	0.6
219.07954	0.3
221.05980	0.6
225.05504	0.4
227.07043	0.5
235.07733	0.2
237.05482	0.4
239.06915	0.4
241.04875	0.2
241.08543	0.2
243.06543	2.1
247.07645	0.3
249.05516	0.3
253.04970	0.4
255.06516	0.8
261.05298	0.2
261.07208	0.7
262.06061	0.2
263.06882	0.2
265.04922	0.6
267.06567	1.1
272.08313	0.2
273.09204	0.3
275.07022	0.2
276.84607	0.2
277.05060	0.2
278.05862	0.2
279.06454	0.2
282.05212	0.2
283.06137	0.2
283.09476	0.2
288.40042	0.2
289.08521	0.7
290.09241	0.3
293.04407	0.3
295.06006	1.1
295.13171	0.2
303.06573	0.3
305.04333	0.9
305.07562	0.2
306.04962	0.2
307.05978	0.5
307.09421	0.3
309.07935	0.2
309.11206	0.6
310.04932	0.3
311.05307	1.4
317.08032	0.5
318.08722	1.2
319.06070	0.2
321.07581	0.5
323.05530	3.4
323.08786	0.2
323.12607	0.9
324.05872	0.3
325.07010	0.7
333.11188	2.1
335.08963	0.2
337.06845	0.2
337.10773	0.3
345.07602	0.3
346.08286	1.6
347.09082	0.3
351.12283	0.5
361.06403	0.2
361.10712	2.7
363.08615	0.4
364.09326	0.8
367.69470	0.2
379.11725	100.0
380.12091	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	379.1175
Annotation	Isojamaicin
Peak:m/z	Relative Intensity
53.00302	0.2
55.01850	0.3
55.05503	0.4
56.96567	0.2
57.28907	0.2
65.03938	0.2
67.05493	1.3
69.03419	0.4
69.07069	0.6
70.62910	0.2
71.62485	0.4
79.05490	0.5
81.07037	1.1
83.08601	0.2
91.05477	0.8
93.03427	0.4
93.07020	0.5
95.04967	0.4
95.08599	0.6
97.02887	0.3
105.03349	0.5
105.07005	0.6
107.04931	1.2
107.08594	0.4
107.29425	0.2
109.02863	0.3
109.10149	0.4
111.04385	0.3
119.04936	0.8
119.08587	0.3
121.02837	1.5
121.06479	0.2
121.10127	0.3
122.62209	0.2
123.04419	0.7
128.06168	0.2
131.04913	0.4
131.08528	0.2
133.02821	0.6
133.10158	0.4
135.04405	0.8
135.11737	0.3
137.06039	0.3
143.08516	0.4
144.05693	0.3
145.02948	0.3
145.10121	0.5
147.04372	0.5
147.08032	0.2
151.03963	0.4
157.06465	0.3
157.10100	0.3
159.04430	0.5
161.02332	0.9
163.03909	0.3
165.07068	0.3
169.06483	0.4
171.08035	0.3
171.11798	0.3
173.02382	0.2
179.03435	0.3
185.05960	0.3
187.03810	0.3
187.07542	0.5
189.01767	1.6
189.05486	0.3
197.06000	0.4
199.03894	0.3
199.07640	0.3
201.05629	0.2
203.03362	0.3
207.02876	2.5
211.07556	0.3
213.05478	0.8
215.06902	0.3
217.04863	0.2
223.07417	0.3
233.04225	0.3
239.07037	0.5
243.06529	0.7
249.09085	0.3
251.07059	0.6
253.08661	0.4
261.09088	0.4
263.06985	0.4
265.08517	0.5
267.06549	1.4
268.07233	1.4
276.07684	0.3
277.08578	0.3
279.06442	0.9
279.09625	0.3
280.07178	0.7
281.08029	2.9
283.06055	0.5
287.10562	0.6
289.08511	0.8
290.05774	0.3
290.09335	0.7
291.06580	0.6
291.09888	0.3
293.08002	1.7
294.05191	2.0
294.08301	0.3
295.05948	2.0
295.09131	0.4
296.06818	1.8
297.07471	1.9
303.09982	1.0
304.10846	0.4
305.04443	1.4
305.07959	0.5
305.11606	0.4
307.05997	3.9
307.09579	1.1
308.06802	2.9
308.10275	0.5
309.07468	3.6
310.04840	0.3
313.07007	0.7
315.10220	0.4
316.33701	0.3
317.08148	0.7
318.08682	1.2
319.09613	0.4
321.07556	16.1
322.08038	0.8
323.05505	4.1
323.09100	0.5
324.06204	0.4
325.07025	11.1
331.09772	0.5
332.10428	1.1
333.07724	0.3
333.11191	1.6
335.09113	9.1
336.09799	3.3
337.07031	3.9
337.10681	0.6
339.08688	0.4
343.09821	1.0
346.08417	0.7
347.09167	0.3
349.07019	0.5
349.10703	0.5
350.07727	0.5
350.11526	1.1
351.08572	1.4
351.12201	1.4
361.06418	0.3
361.10696	4.3
363.08578	0.6
364.09296	2.0
379.11728	100.0
380.04080	0.3
380.12091	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	379.1172
Annotation	Isopongachromene
Peak:m/z	Relative Intensity
53.09814	0.2
58.06556	0.5
67.05457	0.4
69.03378	0.4
69.07014	0.4
69.97411	1.4
72.08114	0.5
75.46062	0.2
79.05444	0.7
80.66362	0.2
81.07024	0.5
86.06023	0.2
88.07574	0.8
89.03844	0.4
91.05451	0.4
93.03331	1.0
93.06966	0.5
95.04912	0.5
95.08554	0.6
97.02884	0.3
105.03358	0.5
105.06999	0.5
107.04855	0.7
107.08575	0.5
109.02824	0.3
109.10134	0.3
117.03349	0.6
119.08496	0.6
121.02797	0.9
121.10088	0.3
121.83776	0.3
123.04359	0.9
123.08027	0.3
131.04861	0.4
132.10150	0.5
133.02780	0.4
133.10085	0.4
134.03575	0.7
135.04347	0.7
137.02266	1.0
137.96292	0.3
143.08517	0.3
147.04343	0.3
155.08485	0.4
157.09958	0.3
159.04332	0.4
159.07991	0.3
161.02338	2.5
163.07594	0.3
163.17992	0.3
165.07036	0.3
173.66678	0.2
175.07347	0.3
179.03319	0.6
183.08046	0.3
189.01807	7.1
193.06503	0.5
207.02884	9.3
211.07573	0.3
213.05377	1.0
221.05966	1.1
224.04617	0.3
229.19235	0.3
239.06992	0.4
242.24699	0.3
243.25124	0.3
249.05399	1.2
267.06482	1.0
277.04910	0.7
286.27261	0.3
295.05991	2.8
305.04343	1.2
307.05981	0.5
307.09552	0.3
310.04742	0.6
318.08838	0.7
321.07632	0.5
323.05490	100.0
324.05859	3.5
325.06979	0.8
333.11224	0.4
336.05887	0.2
337.10696	0.4
341.44159	0.3
346.08319	1.5
349.07147	0.4
351.12079	0.4
361.10669	2.8
361.23700	0.4
363.08920	0.3
364.09509	1.7
378.32162	2.6
379.11755	22.6
379.32602	2.3
380.12183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05495	2.7
56.96560	1.1
57.03428	1.1
58.63380	0.6
59.06109	0.8
61.02934	1.0
66.48002	0.7
67.05526	1.1
69.03428	4.2
70.06592	8.6
70.91763	0.6
71.01340	0.7
71.04994	1.1
71.61330	0.9
72.08145	5.9
73.02905	0.8
73.06568	3.8
81.03399	1.3
83.05003	1.4
84.08151	4.3
85.02898	13.6
87.04462	0.9
91.05470	0.8
91.75559	0.6
95.04976	0.8
96.08108	3.8
97.02897	3.2
98.06027	0.7
98.09684	100.0
98.97562	1.9
99.04446	0.8
99.10017	1.1
109.02850	1.5
109.06438	0.7
111.04474	1.2
111.22871	0.7
112.07597	1.2
114.09148	1.5
116.98638	1.6
126.09174	0.8
127.03908	2.3
130.08636	2.8
137.05991	5.6
140.07062	0.8
142.08649	5.4
144.10185	35.7
145.04980	1.4
145.10524	0.7
147.04404	2.6
147.11609	0.6
162.09100	2.1
163.23389	0.7
167.07036	0.7
177.00697	0.8
180.10197	9.0
181.08594	1.3
184.06578	0.7
193.03670	0.7
198.11259	7.0
199.09749	0.7
216.12296	3.4
224.12541	0.7
242.13908	1.2
252.12218	2.1
259.04898	0.7
262.06406	0.7
270.13217	5.4
274.39096	0.7
288.14386	9.2
360.16556	2.3
378.21204	73.1
379.15778	5.1
379.21594	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	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65736	0.7
53.03939	1.4
54.77231	0.7
55.01867	1.2
55.05508	3.0
56.96555	1.0
57.03437	1.5
60.04527	1.3
61.02912	1.0
64.50399	0.7
65.03954	0.9
65.08227	0.7
67.05515	1.0
69.03419	6.5
69.07091	2.0
70.02968	0.9
70.06587	100.0
71.04982	2.4
71.06892	0.9
71.31722	0.8
71.54249	0.8
71.61813	1.1
72.08154	9.8
73.02901	0.7
73.06547	3.1
79.05498	1.3
81.03421	7.4
82.06564	0.8
83.04945	0.8
84.04511	1.0
84.08152	3.7
85.02899	8.3
86.09705	3.2
87.04459	2.1
88.03997	2.2
90.05519	1.0
91.05468	5.1
92.05854	0.7
93.07032	1.0
94.06487	0.7
96.08187	0.7
97.02892	8.4
98.06071	3.0
98.09695	1.0
98.97595	1.1
99.04449	3.3
101.06025	4.1
103.03938	2.7
105.07011	1.2
107.04968	1.3
109.02870	8.6
110.02399	1.0
110.83405	0.8
112.02208	3.1
112.07600	92.4
113.61799	0.9
116.07116	4.0
116.98713	0.9
118.06660	0.8
119.04955	3.9
121.02914	1.1
121.06503	0.9
123.04468	1.1
124.07584	0.8
127.03916	9.2
130.03200	1.5
131.04924	1.1
134.99606	1.0
136.07568	0.9
137.02359	1.7
137.05980	0.9
138.05484	1.0
138.09210	0.9
140.07057	48.2
145.04890	1.7
145.06668	0.8
146.06044	1.3
147.04391	13.4
147.05460	0.8
148.04778	2.3
152.07097	1.4
158.08110	12.5
158.09369	0.9
161.06018	1.5
162.52727	0.8
163.03885	1.3
167.07083	1.8
177.05511	1.5
181.08653	2.3
198.11368	0.8
199.09741	2.1
200.09137	0.8
210.55997	0.9
216.06856	1.3
216.12216	2.3
218.11862	2.3
219.01843	0.8
219.12465	1.1
230.10220	0.9
234.07558	1.5
237.02936	1.2
239.07031	1.0
257.08145	1.3
259.11801	1.4
266.10336	3.0
284.11349	10.5
296.66418	3.9
297.15790	0.7
302.12448	2.9
342.15524	2.1
342.22678	1.1
360.23376	1.5
378.24451	1.5
379.08408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03941	1.7
55.01859	0.5
55.05509	0.3
56.05004	0.3
57.03435	7.1
59.04972	0.6
61.02927	2.8
69.03426	12.6
69.07024	0.2
70.06570	0.9
71.01349	2.1
71.04992	3.1
71.07274	0.3
71.07624	0.5
72.08156	2.0
73.02926	1.9
75.04477	2.5
79.05504	0.3
81.03414	3.4
81.07063	0.4
83.87206	0.3
84.08120	0.3
85.02886	0.3
86.09692	0.5
87.04436	0.7
90.63741	0.2
91.05474	0.5
93.07014	0.3
98.06029	0.6
99.04449	4.6
115.03948	0.2
115.08654	0.3
116.07085	0.3
117.05466	0.9
119.04914	0.5
120.08042	0.2
127.03898	0.3
130.06512	0.3
145.07559	1.4
145.10045	0.3
147.04410	1.2
147.09248	0.2
148.04675	0.3
157.06361	0.5
157.07599	0.4
159.09184	0.5
163.03922	0.4
170.07112	1.2
170.08344	0.2
172.08688	25.2
173.09203	0.3
174.10243	0.9
175.08662	0.7
179.10640	0.2
184.08580	0.3
186.10229	0.4
190.09811	1.6
191.48463	0.3
198.06607	5.3
200.08189	4.1
210.10414	0.2
214.09758	0.7
214.14255	0.3
215.14682	0.4
216.07677	15.6
217.08136	0.5
218.09320	1.1
224.11877	0.4
229.08580	0.4
243.08762	70.0
244.07082	0.9
244.09334	1.3
285.09979	0.3
297.09674	0.5
316.12939	0.8
341.12415	0.4
359.13513	3.0
377.14523	100.0
378.14890	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	377.1229
Annotation	Fesumtuorin B
Peak:m/z	Relative Intensity
53.03931	0.8
55.01857	1.5
55.05494	1.8
57.03431	0.9
57.07059	1.0
65.03930	1.2
67.05505	5.4
68.99771	1.0
69.03413	6.2
69.07053	3.4
71.04996	1.0
71.61920	1.0
74.03457	0.5
76.74335	0.6
79.05469	3.6
81.03406	2.6
81.07058	7.7
83.05000	1.0
85.02906	1.9
85.06542	3.2
91.05474	4.7
93.07043	5.6
95.01302	1.1
95.04960	7.7
95.08586	6.2
97.02877	5.9
97.06521	1.5
99.04459	0.7
99.08072	0.8
105.07027	3.7
106.83817	0.5
107.04959	3.4
107.05617	0.5
107.08577	2.9
109.02876	3.4
109.06519	1.6
109.10146	2.9
109.61677	0.8
111.04413	1.2
111.08068	1.2
115.05507	0.9
117.06982	1.5
119.04912	1.6
119.08575	2.4
119.85056	0.7
121.06477	1.4
121.10132	2.9
123.04416	100.0
123.11662	1.5
124.04751	1.3
127.03912	1.2
129.07014	0.8
131.04939	1.6
131.08571	1.2
133.06544	1.3
133.10138	2.2
135.04385	3.7
135.08015	1.7
135.11674	2.6
137.02338	3.4
137.05948	2.6
137.09584	1.1
139.03912	1.8
141.07013	0.8
143.08534	1.1
145.06413	1.4
145.10120	2.6
147.04395	7.3
147.11703	0.9
148.05069	0.7
149.06056	0.9
149.13234	1.9
151.03833	0.8
151.10963	0.6
153.05397	0.8
157.06453	0.9
157.10074	0.8
159.04408	1.0
159.07979	1.0
159.11697	1.3
161.05954	2.0
161.09616	1.1
163.03900	2.5
163.07498	2.4
167.07039	2.2
171.11723	1.0
173.05939	2.0
173.09665	1.4
173.13408	1.0
175.03883	1.6
175.07527	1.1
177.05457	1.9
179.07007	2.4
181.05110	0.8
185.05972	1.8
187.03915	2.3
187.11148	1.5
189.05487	1.8
191.07004	2.3
191.58023	0.6
193.05011	1.1
197.13239	0.7
199.07532	1.1
201.05415	1.3
203.06992	2.1
205.04962	15.2
207.06516	1.3
211.11226	0.7
213.05469	1.1
215.07117	0.8
215.10742	1.5
219.06500	30.4
223.05943	5.1
225.09270	0.9
227.07039	2.7
231.06480	14.5
231.17134	0.8
237.07541	8.4
249.07468	4.6
255.06485	1.8
261.07727	0.7
267.10098	1.6
295.09659	4.2
296.14191	0.8
303.08682	2.0
305.24728	1.1
307.05942	0.8
313.10666	1.3
323.09097	40.8
323.25714	1.5
324.09677	0.9
341.10165	51.3
342.10483	2.2
343.93628	0.8
359.11230	99.0
360.11511	3.7
377.12503	22.8
378.11682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2454
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
50.58927	0.4
56.96573	0.4
57.55243	0.3
58.06591	0.7
64.91928	0.4
67.05486	0.8
69.03410	1.0
69.49573	0.3
71.61695	0.4
77.37032	0.4
79.05481	0.6
81.03402	0.6
81.07047	0.8
83.05003	0.4
85.02863	0.7
91.05458	0.9
93.06996	0.5
95.08590	0.9
96.45713	0.4
97.02843	0.9
97.06536	0.4
107.04938	0.6
107.08553	0.6
109.02869	1.1
119.04993	0.5
119.08566	0.5
121.10120	0.7
127.03897	0.7
128.04297	0.5
135.11702	0.5
147.04399	1.7
167.06992	0.4
177.05377	0.5
207.40131	0.4
211.14769	0.4
213.09056	0.5
214.09509	0.4
215.10686	1.2
245.11658	0.5
253.20288	0.4
288.19211	0.8
290.17212	10.5
317.73102	0.4
362.07755	0.5
365.59424	0.4
376.09222	1.2
376.24539	100.0
377.10114	2.6
377.14264	0.6
377.24802	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	375.165
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
53.03935	1.4
53.75539	1.0
55.01871	2.4
55.05489	1.4
56.05000	1.1
56.96547	1.4
57.03428	3.8
58.06579	1.6
61.02918	2.2
69.03423	10.5
70.06587	3.2
70.70863	3.5
71.01360	1.4
71.04977	1.0
72.08148	18.2
73.02909	1.6
73.06541	1.4
73.08470	1.1
78.93899	1.2
79.05485	2.9
81.03417	8.3
81.04533	1.3
81.07036	1.6
83.04977	2.5
84.04504	1.9
84.08133	4.1
85.02896	31.0
86.09693	3.5
91.05455	7.9
93.07045	5.9
95.04980	1.5
95.08575	1.9
97.02887	9.8
98.09682	1.6
99.04456	2.9
105.07035	9.6
107.05000	1.2
107.08573	15.5
109.02875	5.1
110.02394	3.7
116.06213	1.3
116.07037	1.2
116.98595	1.9
119.04958	1.5
119.08566	23.2
120.58887	2.2
120.73105	1.7
121.10133	6.6
122.06023	1.1
123.08051	3.0
124.03949	6.5
125.04263	2.8
127.03909	33.9
128.04211	1.6
131.08559	9.7
133.06470	2.2
133.10101	2.7
135.08090	3.2
137.05930	2.5
138.05411	1.3
145.04932	4.7
147.04404	7.9
147.08044	7.9
149.09601	10.1
152.07030	3.5
159.08022	2.7
165.09081	13.3
167.07048	1.5
167.10693	4.8
169.09747	2.3
177.09059	9.0
195.10156	20.7
198.07663	2.4
199.07886	5.6
212.08554	1.4
213.11185	100.0
214.10942	3.7
218.11749	1.9
219.01790	1.4
235.14410	4.9
314.03427	1.1
359.63940	1.3
375.15637	2.8
381.17957	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	375.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01853	2.6
55.05497	3.4
56.96547	1.7
57.03416	2.4
59.04976	0.6
61.02908	1.8
63.05273	0.6
65.03944	0.9
67.04430	0.7
67.05496	1.6
69.03427	11.2
69.07060	1.3
69.96605	3.4
70.06588	5.6
71.04974	2.2
71.33270	0.5
72.08148	16.7
73.02893	1.3
76.01159	0.6
79.05489	3.4
81.03412	6.9
81.07037	1.9
83.01329	1.0
83.04952	2.6
84.08134	3.5
84.96045	0.7
85.02897	19.4
86.09705	4.8
87.04435	1.0
89.10769	1.2
91.03928	0.9
91.05466	6.8
93.07033	7.4
95.04938	2.6
95.08569	2.0
97.02903	7.0
97.06480	0.8
98.06024	1.9
98.09677	1.8
98.21506	0.9
98.97564	2.5
99.04462	3.8
99.09996	0.7
101.06013	0.6
103.03887	1.1
103.05471	0.7
105.06371	1.0
105.07015	10.7
107.04922	4.3
107.08579	16.8
109.02859	5.6
109.06489	2.0
109.10155	0.9
110.02414	0.7
110.07145	1.0
111.04409	1.6
115.03932	1.5
115.05458	0.8
115.08681	1.0
116.06279	0.7
116.98602	1.7
117.07060	0.7
119.01821	0.6
119.04944	3.9
119.08570	28.0
120.08853	0.7
121.02847	0.8
121.06483	1.1
121.10139	10.7
122.09627	0.7
123.04436	1.4
123.08059	1.7
124.07568	1.3
125.06017	0.9
125.09588	0.8
127.03070	1.0
127.03908	12.7
128.98595	0.6
129.01819	0.7
129.06856	0.7
130.06541	0.7
131.08566	10.5
131.74683	0.6
133.04916	0.8
133.06482	5.7
133.10126	5.8
134.99623	1.3
135.04442	1.2
135.08073	4.5
136.03941	1.2
137.04253	0.7
137.05959	1.6
137.09601	1.2
145.04988	1.3
146.99657	0.7
147.04405	14.3
147.08023	5.9
148.04778	1.0
148.77844	0.6
149.05797	0.7
149.09605	16.5
149.13222	0.9
151.03888	1.3
151.07549	2.6
152.06963	0.8
153.05467	1.9
159.08101	3.6
161.05966	1.9
163.03845	1.2
165.05492	0.6
165.09100	6.3
167.07025	3.9
167.10664	7.0
168.10240	1.0
171.02838	1.4
173.05946	1.2
173.13147	0.9
177.00641	1.7
177.05353	0.8
177.09090	22.7
185.02925	1.0
189.55707	0.6
195.10155	19.7
196.09752	0.9
197.06018	0.8
201.12315	0.8
203.03696	0.8
207.08110	0.8
213.11198	100.0
214.10645	4.6
217.04842	0.7
218.11710	1.9
223.09116	3.3
235.14326	1.5
237.02841	1.5
269.04691	0.7
269.22250	0.6
281.08060	0.9
299.65186	0.7
357.65488	1.9
360.09753	2.3
366.16629	1.2
366.66199	1.4
367.16382	0.6
375.09396	1.2
375.15839	2.5
375.23178	0.7
381.18027	0.6
399.24356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1645
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
51.02367	1.5
53.03940	3.6
55.01871	3.7
55.05506	4.5
56.05017	2.1
56.50008	1.3
56.96549	2.6
57.03427	5.3
59.04985	1.5
59.06136	2.2
60.04510	2.3
61.02937	6.5
66.20059	1.2
67.05509	1.5
68.99763	2.1
69.03423	32.2
69.07081	2.0
70.06581	9.8
71.04987	4.1
71.61011	2.0
72.08148	32.0
73.02905	4.1
79.05486	6.8
81.03410	16.3
81.07040	2.6
83.04979	5.2
84.04485	4.6
84.08125	7.5
85.02897	71.7
86.09697	16.6
87.00833	2.5
87.04454	3.0
87.10042	2.3
89.10780	2.9
91.03954	2.5
91.05469	11.0
93.07044	10.6
95.04967	5.7
95.08603	3.6
96.96289	1.5
97.02882	23.3
97.06496	1.9
98.06054	2.5
98.09676	16.4
98.97575	3.1
99.04476	6.6
99.10011	5.0
101.07098	1.4
103.03917	2.2
103.05477	1.7
105.07029	17.8
107.04954	4.7
107.07853	2.8
107.08583	51.8
109.02876	14.6
109.06525	5.3
110.02412	2.7
110.07202	2.1
110.09646	2.1
111.04427	3.6
111.08023	2.1
115.05486	1.5
116.98605	2.7
117.07002	1.3
118.42504	1.4
119.04929	7.1
119.08588	7.2
121.06493	2.1
121.10127	36.4
122.06050	1.5
122.09692	1.5
123.04427	2.9
123.08064	15.3
123.11615	1.4
124.03962	2.1
125.05996	4.0
125.09612	4.4
127.02951	2.8
127.03905	51.7
127.08604	1.3
129.01788	1.2
129.10245	3.3
130.06459	2.5
131.08551	6.8
133.06453	3.1
133.09232	1.4
133.10107	8.3
135.08041	22.2
136.03928	1.5
137.05981	4.2
138.09184	1.3
142.13257	1.7
145.04962	10.3
145.06523	1.3
147.04413	21.8
147.08063	2.9
149.09607	40.0
151.03902	2.3
151.07578	3.2
151.11180	2.7
152.07072	2.1
153.09126	6.5
159.07950	1.7
161.05928	1.6
161.09273	1.8
162.05568	1.4
165.05542	1.4
165.09096	2.6
167.07008	3.2
167.10661	8.5
169.04881	1.7
169.08562	10.6
175.03926	1.8
177.00708	2.7
177.09093	29.7
191.06950	1.7
195.10153	100.0
200.18651	1.5
207.06650	1.7
212.12787	2.2
213.03900	2.3
213.11200	90.8
218.11736	5.6
232.09447	1.5
235.14398	4.4
237.02832	1.7
254.07828	1.6
322.79050	1.6
331.29282	8.5
356.59427	1.3
366.65906	2.2
375.08936	2.2
375.16367	6.1
375.19250	4.3
375.23111	2.2
375.28152	5.2
375.67651	1.9
381.18188	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1072
Annotation	Arteanoflavone
Peak:m/z	Relative Intensity
50.43856	0.3
53.03892	0.4
55.01832	0.4
57.66065	0.3
62.66428	0.3
65.62386	0.4
67.05450	0.5
69.03413	2.1
69.07028	0.6
69.36488	2.7
69.36898	0.7
71.04946	0.4
79.05427	0.5
81.03407	2.0
81.07004	0.5
83.04901	0.4
85.02821	1.2
87.00758	0.4
91.05406	1.0
93.06986	1.0
95.01292	0.4
95.04913	0.4
95.08559	0.4
97.02822	1.2
98.21545	0.7
98.41565	0.3
99.04386	0.7
105.06995	0.8
107.04885	0.4
107.08518	0.6
109.02798	1.3
109.10125	0.5
111.04376	0.5
119.04848	0.5
119.08447	0.5
121.10081	0.4
122.07133	0.3
123.04366	0.7
127.03921	2.0
127.80093	0.4
133.02774	0.7
137.02281	0.6
137.05989	0.7
147.04337	1.0
148.05020	0.5
149.02213	0.5
151.03958	1.8
159.04120	0.3
165.01759	0.7
165.09192	0.4
167.06932	0.8
175.03778	0.7
176.69833	0.3
177.01807	0.4
177.09071	0.3
179.03375	0.6
180.88091	0.3
181.01291	0.9
191.03358	2.1
193.01331	0.6
194.38680	0.3
195.02826	0.7
197.05927	0.6
205.04799	0.3
206.19206	0.4
207.02867	0.4
208.03616	0.7
209.00687	0.5
209.04332	0.5
209.77550	0.3
210.01512	1.3
211.02452	1.6
212.03049	0.6
213.09035	1.1
219.02676	0.4
225.05490	0.8
229.08482	0.4
239.06935	0.4
243.06544	0.8
253.04915	1.5
254.05687	0.4
255.06332	0.4
258.08801	0.4
268.07355	0.4
270.05142	0.4
271.05960	6.8
272.06128	0.4
281.04422	2.7
282.05170	0.9
283.06042	0.5
285.07504	0.7
286.08252	0.7
295.05963	1.2
296.06592	0.8
297.07458	1.5
298.04550	0.4
299.05493	8.1
299.08929	0.5
300.05685	0.5
302.60382	0.4
309.03876	3.5
310.04602	0.9
311.05380	1.3
311.08881	0.5
313.07108	1.5
314.04138	2.3
314.07773	1.1
317.06534	0.5
323.05396	1.2
324.06250	1.6
325.06964	2.8
326.04221	4.9
326.07870	0.6
327.04947	8.9
328.05313	0.9
329.06561	6.2
330.07089	0.9
339.08777	0.8
341.02103	0.5
341.06540	29.7
342.07303	62.3
343.07748	3.8
357.09662	68.4
358.10095	3.9
360.08450	0.6
375.10718	100.0
376.11057	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	375.1072
Annotation	6-(3''-Oxobutyl)taxifolin
Peak:m/z	Relative Intensity
53.00287	0.5
53.03928	0.6
55.01851	0.8
59.40960	0.4
65.03938	0.5
67.05473	1.5
68.63422	0.4
68.99779	1.8
69.03071	0.7
69.03422	9.3
69.07041	0.8
69.55344	3.5
71.04978	0.7
78.71828	0.4
79.05492	1.9
81.03413	2.4
81.07028	1.8
82.84343	0.4
83.04959	0.5
85.02882	1.3
91.05477	3.0
91.05969	0.6
92.86060	0.4
93.03387	1.4
93.07019	1.3
95.01319	4.1
95.04938	1.6
95.08606	0.5
97.02888	1.2
98.20800	0.9
99.04428	0.5
103.05444	0.8
105.03389	0.6
105.07007	1.0
107.01323	0.6
107.04951	3.8
109.02869	3.0
109.06506	1.6
109.10117	0.6
111.04414	0.9
113.02328	0.7
115.05441	0.7
117.07026	0.6
119.04920	1.8
121.02837	0.7
121.06480	0.5
123.04381	1.8
125.06010	0.7
127.03902	2.4
131.04916	0.9
135.04382	1.9
137.02330	9.8
137.05962	3.5
141.06956	0.5
143.04892	1.1
145.06485	1.5
147.04416	2.7
149.05974	0.9
151.03873	0.5
151.07462	0.7
155.03369	1.1
159.04408	0.8
161.02356	0.9
161.05983	0.8
163.03845	2.5
167.07013	0.6
167.08467	0.4
173.05959	1.8
175.03896	0.9
175.07489	0.4
177.05460	1.3
189.05443	0.5
191.08441	0.8
193.04948	0.7
195.06531	0.5
197.05913	1.2
201.05479	1.2
203.03401	0.7
205.04947	59.1
205.89195	0.5
206.05344	2.0
206.07019	0.4
209.09584	0.7
213.08995	0.7
215.06961	1.2
219.08087	1.2
221.04492	1.1
223.05948	8.2
225.05501	0.9
229.05002	1.0
237.09047	0.8
241.08617	1.2
247.07573	0.9
249.49599	0.4
253.04829	0.8
255.10204	0.7
265.08688	1.2
268.07239	0.6
269.08047	5.2
271.06012	1.0
283.06549	0.5
283.09601	2.5
289.06927	0.9
293.07925	1.5
297.07562	0.9
311.05582	0.5
311.09119	1.5
321.07565	20.7
322.07898	0.5
339.08606	87.6
339.36005	0.5
340.08972	5.4
357.09656	87.9
358.09921	4.8
375.10706	100.0
376.11023	5.2
380.14590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01860	0.5
55.05502	0.8
56.05023	0.3
56.96563	0.2
57.03434	0.3
58.06606	0.2
60.04527	0.3
61.02912	0.5
63.54590	0.2
67.05489	0.2
68.05020	0.3
69.03419	1.8
69.07059	0.7
70.06585	5.2
71.01335	0.3
71.04971	0.5
71.35838	0.2
71.61065	0.4
72.08148	4.3
73.02896	0.4
75.31477	0.2
79.05482	0.4
80.04996	0.3
81.03410	2.2
81.07042	0.6
83.04980	0.4
83.06094	0.2
84.04510	0.5
84.08137	3.3
85.02895	3.1
85.06515	0.2
86.09683	1.6
87.00826	0.4
87.04450	0.2
89.10790	0.5
91.05440	1.0
95.04951	0.4
95.08598	0.3
96.04510	0.2
96.08118	5.6
97.02879	1.3
98.06046	0.5
98.09682	100.0
98.97589	0.6
99.04447	0.7
99.10000	1.6
105.07032	0.7
106.02942	0.7
107.04958	0.7
107.08578	1.2
109.02854	1.4
109.06467	0.3
110.09670	15.3
111.04395	0.3
112.07623	0.3
112.11250	0.3
114.09138	0.3
116.07056	0.2
116.98576	0.4
119.04966	1.0
119.08559	0.4
120.08118	0.4
121.02879	0.3
121.06458	0.2
121.10141	0.5
122.09643	1.3
123.04408	0.2
123.08002	0.3
123.19994	0.2
124.03936	0.8
124.07555	0.4
124.11221	4.2
125.06010	0.2
126.09140	0.3
127.03902	18.2
131.04904	0.3
131.08553	0.5
133.10095	0.5
134.06027	0.2
134.09644	0.5
134.99637	0.4
135.08043	0.3
136.11203	0.7
137.05957	1.3
138.05536	0.3
138.09125	0.9
138.12737	0.6
140.07059	0.4
142.08644	2.0
145.04968	0.5
146.99706	0.3
147.04411	4.4
148.11200	0.6
149.09566	0.5
150.09137	1.0
150.12784	1.0
151.03928	0.2
152.07025	0.3
153.05510	0.2
154.08611	1.0
157.07564	0.3
159.02957	0.2
161.05988	0.5
162.12794	0.4
167.07056	0.5
167.10745	0.3
168.06531	0.4
168.10179	2.4
169.10451	0.2
174.12759	0.4
176.10643	0.4
176.14429	0.4
177.05516	0.4
177.09035	0.6
188.14346	0.3
194.11728	1.0
195.10188	1.1
203.07018	0.3
204.17535	0.6
212.12798	8.1
213.11221	1.4
213.12926	0.3
216.17467	1.0
218.11639	1.0
221.08165	0.3
221.20100	1.3
233.20113	10.0
234.20401	0.5
235.14409	0.6
235.21681	4.0
237.02985	0.3
245.20157	0.9
247.21661	10.5
248.22084	0.4
268.08173	0.5
291.20651	0.3
299.25015	0.8
301.26154	0.2
303.27982	0.4
328.27414	10.3
329.27728	0.6
330.29001	53.3
331.29346	2.9
358.07883	0.3
366.65894	1.0
374.24426	1.2
374.28021	31.3
374.68219	0.3
375.16928	0.8
375.28253	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61478	0.3
54.64961	0.3
63.50373	0.3
70.06581	3.8
70.87727	0.7
71.11683	0.3
72.08156	0.8
73.82638	0.3
84.08138	3.4
85.02872	0.5
90.81516	0.3
95.61099	0.3
96.08133	3.6
98.09686	100.0
99.10023	1.2
110.09677	12.9
111.41290	0.3
124.11221	2.6
124.51880	0.3
134.09654	0.4
136.11195	1.1
142.08655	0.7
147.04404	0.7
148.11215	0.7
150.12772	0.5
154.08727	0.3
161.11967	0.6
162.12799	1.5
164.14360	0.5
166.70634	0.3
174.12823	1.1
188.14424	0.5
194.93333	0.3
201.76601	0.3
216.17508	0.7
221.20129	1.4
233.20140	4.3
235.21664	1.4
245.20154	4.4
247.21678	19.1
248.22028	1.0
287.24774	0.5
291.20987	0.4
313.26611	0.5
326.26028	0.5
328.27444	17.5
329.27786	1.0
330.29010	25.2
331.29379	0.9
374.27997	79.4
375.28250	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	374.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
55.05488	0.6
55.34911	0.4
56.96550	0.4
57.03425	0.9
67.05482	0.9
69.03408	1.9
70.06584	5.2
71.04986	0.7
71.14894	0.7
72.08144	4.0
81.03374	2.1
83.04925	0.6
84.08133	4.0
85.02907	3.3
86.09681	0.6
89.10786	0.5
91.05383	0.5
91.05842	0.6
96.08112	3.1
97.02880	1.4
98.09680	100.0
98.97569	0.4
99.04429	0.9
99.10008	1.6
105.06998	0.7
107.04971	0.7
109.02847	1.9
110.02429	0.5
110.09663	13.2
119.04943	0.7
123.04350	0.5
124.11211	3.0
127.03934	2.2
127.04668	0.4
129.10178	0.6
130.06480	0.4
131.04846	0.5
134.09622	0.6
136.11205	1.0
137.05946	2.9
138.06306	1.1
142.08592	0.8
143.73990	0.5
144.10222	0.4
145.04964	0.5
147.04398	4.2
147.07594	0.5
148.11156	0.4
150.12784	0.7
152.07022	0.7
154.08632	0.8
162.12784	1.2
174.12813	1.0
188.14320	0.7
194.11819	0.5
203.07089	0.7
204.17450	0.5
212.12781	0.7
213.11084	0.5
214.53052	0.4
218.11711	0.8
221.20059	0.8
231.18471	0.5
233.20120	4.3
235.14407	0.8
235.21677	2.1
237.02783	0.5
245.20111	4.1
247.21663	19.6
248.22043	0.7
294.51883	0.4
306.43991	0.4
313.26501	0.5
328.27411	15.3
329.27661	0.8
330.28998	23.3
331.29352	1.1
359.06155	0.5
366.16876	0.6
366.65979	0.5
374.27982	75.4
375.16602	1.0
375.28314	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	374.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01859	2.4
55.05496	1.6
56.05025	2.1
57.03419	2.3
61.02918	2.4
63.02369	0.5
65.03927	1.9
67.05490	1.6
68.05008	0.5
68.99771	0.9
69.03420	12.7
69.07067	3.3
69.29176	5.8
70.06580	5.5
71.04984	1.4
72.08150	9.4
73.02906	2.7
73.08474	0.7
79.05488	1.3
81.03412	10.2
81.07050	1.6
82.03692	0.6
83.04975	1.1
84.04498	29.2
84.08137	3.5
85.02898	33.6
86.06071	0.7
86.09698	100.0
87.00822	11.1
87.04477	1.5
87.10028	1.1
91.05473	63.8
92.05804	1.9
93.07030	1.7
94.06590	0.6
95.04943	1.8
95.08614	0.9
96.04498	1.6
97.02883	13.2
97.06528	1.3
98.06039	1.6
98.09679	3.1
98.20663	1.2
99.04440	4.4
99.08062	0.7
102.05531	14.9
103.03947	1.2
103.05444	1.3
105.01855	18.8
105.07024	2.0
107.04961	1.7
107.08596	1.5
108.04463	1.5
109.02868	12.0
109.06512	1.4
109.10166	1.3
110.06026	0.7
111.04454	0.9
111.08089	0.5
111.86020	0.5
113.07113	1.6
115.05451	1.3
117.01867	1.1
117.07027	0.8
119.04929	2.0
119.08566	1.4
120.08106	1.5
121.02854	0.6
121.06559	0.8
121.10232	0.6
123.04440	2.4
123.08086	0.7
124.07564	0.6
124.11217	1.0
125.09608	1.0
126.05505	1.6
127.03902	24.0
128.04271	0.7
129.01825	1.5
129.06519	4.7
129.10219	0.9
130.06560	0.7
131.08568	0.6
132.10190	42.4
132.34518	0.5
133.06467	1.8
133.10178	1.0
134.99658	0.6
135.04391	0.7
137.05954	9.3
138.09102	0.9
141.05557	0.9
141.06607	3.1
143.03439	0.7
143.04897	0.8
145.02936	0.8
145.04974	10.1
145.06451	2.1
147.03024	1.1
147.04411	6.8
147.08054	0.7
148.04759	1.0
148.11115	0.5
149.05995	0.9
149.09645	0.7
150.09151	2.1
151.03886	13.9
151.05057	0.8
152.10701	2.8
153.05453	0.6
157.06461	1.9
158.08109	0.5
159.02878	4.8
159.08057	0.7
161.06024	1.4
163.03882	1.8
163.07494	1.0
167.07037	3.2
170.11732	4.3
171.02982	1.0
171.04414	0.7
171.07976	0.7
173.06001	0.9
175.03905	0.6
175.07591	2.6
177.05496	1.4
177.09056	3.1
179.03311	0.7
179.07120	0.6
181.04970	1.3
181.06488	0.8
189.03952	0.8
189.09167	1.5
191.07082	0.9
194.11761	3.5
195.06511	0.7
197.12837	20.6
199.07573	1.0
201.05521	0.7
203.06984	3.7
204.10280	0.9
205.08598	1.2
212.13228	0.6
213.03967	1.5
215.13879	28.8
216.14342	0.7
217.08621	2.1
219.01843	0.6
221.08096	1.1
222.11244	3.5
225.12306	9.0
231.04936	5.6
237.09016	0.7
239.07115	0.6
243.13371	14.0
243.15726	0.9
245.18512	3.1
248.07642	0.8
249.06096	1.8
279.06555	0.6
291.16998	0.8
313.07025	1.2
327.12396	1.0
339.11688	1.1
346.08054	1.1
347.09241	1.8
356.21722	1.5
357.13544	1.5
374.07565	3.8
374.19336	0.5
374.24481	2.3
375.08499	8.6
375.15787	1.1
375.26529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52956	0.9
55.05502	1.4
56.96567	25.4
57.07042	1.1
58.31891	1.0
65.98853	1.1
67.05493	1.7
71.62259	1.2
71.95264	4.5
72.96040	1.4
79.05495	1.3
80.36619	1.0
81.07058	1.5
85.02905	1.1
91.05476	2.1
93.07042	3.0
95.04972	2.4
95.08617	1.1
97.96838	1.4
107.08601	1.4
110.97608	2.3
115.97847	1.2
119.08569	1.1
122.63756	1.0
128.98598	7.8
129.09132	1.4
131.08565	1.0
133.98886	1.6
141.02327	1.4
146.99643	16.1
161.01250	3.1
161.04936	1.1
165.00739	6.0
170.01215	3.0
175.02734	1.5
179.02202	1.6
189.04320	2.5
203.06012	2.4
205.80516	1.1
217.07472	1.1
223.13345	1.1
241.11180	1.3
245.08273	1.1
252.10405	1.3
259.12244	1.9
260.15079	1.0
263.09509	4.7
270.11569	1.8
281.10492	2.3
315.16272	37.4
316.16855	1.5
317.14456	1.1
329.46332	1.1
331.15762	2.8
333.17331	100.0
334.17554	3.1
351.18411	44.9
352.18689	2.4
356.18921	27.8
357.19168	2.0
374.19952	12.1
374.24951	1.5
397.21494	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	374.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.05507	2.2
61.02925	1.4
65.04391	0.9
69.03424	4.5
70.06590	5.8
71.61948	1.0
71.62340	1.1
72.08148	26.6
79.70348	1.1
81.03389	5.2
81.07050	1.0
83.04942	1.4
83.06078	1.2
84.04472	2.1
84.08138	4.0
85.02901	14.4
85.21314	0.9
86.09690	8.5
87.04463	2.0
89.06027	47.8
89.10802	4.0
91.05843	1.4
93.05519	1.2
96.08164	1.6
97.02887	4.6
98.06047	3.2
98.09689	4.3
99.04427	1.7
107.04966	2.2
107.07062	6.1
109.02876	4.5
110.02403	4.9
110.07138	1.4
110.09712	1.5
112.07570	1.6
115.08646	1.2
116.07039	1.3
116.98617	1.8
119.04948	3.6
120.08115	1.2
120.58921	3.0
121.02867	1.1
126.05499	1.2
127.03922	4.2
129.10251	1.5
130.08655	1.3
133.08571	17.6
145.04964	2.5
147.04404	17.9
151.09671	3.9
152.07089	4.0
159.11388	1.2
166.08710	3.2
167.07031	1.5
169.04944	2.0
169.09763	2.5
175.07497	1.2
177.00706	1.3
177.11214	3.2
183.11316	1.3
194.04431	2.1
194.08138	1.2
195.12277	100.0
196.12659	2.6
197.28143	1.0
200.13887	1.8
212.09149	7.3
213.11105	1.8
218.11760	3.3
226.62985	1.3
235.14412	9.6
235.64609	2.0
242.15283	3.0
250.14966	3.8
275.17569	3.7
277.19168	2.2
356.23203	1.2
374.14780	2.5
374.20297	1.7
374.24405	12.2
374.28549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55946	0.6
53.03946	2.0
55.01863	3.5
56.64736	0.7
57.03433	3.4
61.02923	2.2
65.03939	0.8
66.63449	0.5
68.99794	0.6
69.03425	13.6
69.13464	0.5
70.89350	1.7
71.04985	2.1
73.02895	3.2
78.46918	0.5
81.02969	1.0
81.03415	9.8
84.04503	0.9
85.02902	44.8
86.09704	2.7
87.00301	0.9
87.00828	17.7
91.05477	100.0
92.05814	1.0
97.02882	15.4
99.04453	6.9
103.03950	1.1
105.01862	35.7
105.07037	1.8
108.03750	0.5
108.04475	1.7
108.08051	0.8
109.02872	14.7
111.04460	0.6
115.03904	0.8
117.01883	1.1
119.05029	0.6
119.32050	0.6
124.04306	0.6
125.02391	0.7
126.05530	1.8
127.03909	39.0
129.01845	1.7
129.06987	0.9
132.10240	0.8
133.06476	1.4
137.05927	0.7
145.04959	18.6
145.06491	2.3
147.02890	1.6
151.03928	0.7
157.06516	1.0
159.02885	9.1
168.06821	0.6
171.02968	0.7
171.08072	1.0
175.07536	2.0
189.03958	3.1
195.06557	2.0
197.12918	0.7
199.07509	2.7
213.03995	2.0
215.13913	0.6
217.08606	1.6
230.06644	0.6
231.04990	10.5
231.07137	0.7
248.07552	1.3
249.06039	3.7
321.09723	2.2
339.10767	0.8
374.14682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01859	2.7
55.05508	21.1
55.93484	1.8
57.03432	2.3
57.07069	8.7
59.04984	2.6
67.05497	22.0
69.03431	4.9
69.06713	3.6
69.07063	55.8
70.06559	1.8
70.10916	1.7
71.04982	8.9
79.05486	17.8
81.07050	100.0
83.04961	8.5
83.08616	23.1
85.06538	17.8
91.05463	12.1
93.07033	42.1
95.04952	8.6
95.08599	65.6
97.06512	11.7
97.10162	9.0
98.42429	2.2
99.04440	13.7
99.08089	5.6
101.05996	2.0
103.05473	2.3
105.07018	30.4
107.04965	3.2
107.08594	49.6
109.02878	3.1
109.06522	13.0
109.10153	46.2
111.08060	9.0
111.11676	4.8
115.05460	2.1
117.05489	5.2
119.08562	18.9
121.06467	2.6
121.10126	34.4
123.04414	8.1
123.07310	2.1
123.08064	12.1
123.11698	30.8
127.07542	13.5
131.04918	4.6
131.08556	4.2
133.10124	21.7
135.08057	6.0
135.11670	34.1
137.05983	8.7
137.09624	3.9
137.13255	11.7
143.08568	4.1
145.10118	7.6
147.04436	2.5
147.11682	36.6
149.05971	2.8
149.09605	3.9
149.13234	21.9
151.07515	4.6
151.11160	38.1
151.14796	2.4
153.12692	6.0
155.14316	2.7
157.10042	4.8
159.11690	9.1
161.09641	2.7
161.13264	8.7
163.07596	4.8
163.11143	5.4
163.14842	3.0
165.12727	17.5
167.07030	21.4
167.10672	3.1
167.14355	4.8
173.13284	3.9
175.11150	7.1
175.14774	2.6
177.12732	9.9
177.16391	4.4
179.10663	7.7
181.12221	8.3
183.13916	4.7
185.13113	2.6
187.14827	2.6
189.12782	6.4
189.16371	2.7
191.17921	2.7
193.08577	6.3
193.12250	14.7
195.13817	9.9
199.14787	3.1
203.17970	4.9
205.19478	4.8
207.13786	8.1
209.15356	2.8
209.19122	2.1
229.14354	7.8
231.17229	2.1
235.16942	2.5
263.20029	4.9
283.24164	6.9
291.26550	3.3
297.80414	2.4
301.25208	9.1
319.26285	67.8
337.27316	57.1
341.10269	2.2
355.11298	2.9
355.15341	2.5
355.28482	4.6
373.12900	6.3
373.23645	2.9
376.41345	2.0
383.99039	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	373.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
56.05032	2.7
57.03437	0.8
57.92425	0.5
65.39899	0.5
65.86286	0.5
67.05503	1.3
67.93385	0.5
69.03428	2.6
69.07064	4.2
70.06592	7.5
71.04981	1.2
71.09380	1.3
72.08151	16.2
79.05494	1.6
81.03423	2.1
81.07050	1.9
82.06590	1.4
83.05012	1.2
83.06103	37.2
83.08592	0.7
84.04502	42.4
84.08156	4.0
85.02889	2.8
85.06557	0.6
86.06076	0.6
86.09704	100.0
87.10025	0.9
89.03918	1.1
91.05455	4.1
93.07042	1.8
93.84492	0.5
95.04967	1.1
95.08598	1.3
96.04498	3.0
97.02884	1.9
97.06533	2.3
98.06046	1.9
98.09679	4.0
99.08084	0.8
101.07134	7.7
103.05459	1.8
105.07042	1.8
107.04972	2.6
107.08591	1.8
109.02874	2.3
109.06494	1.2
109.10109	1.2
109.28165	0.6
110.06007	1.2
111.05569	1.1
113.07150	2.6
114.10302	1.9
115.03938	0.6
115.05463	0.7
115.08688	1.0
115.12307	0.7
116.07060	0.7
117.03389	3.3
117.84949	0.8
119.04943	6.1
119.08601	1.5
120.08094	1.9
121.02891	1.4
121.06560	1.0
121.10165	1.3
123.04453	1.5
123.11740	1.1
124.11260	1.6
126.05513	5.0
127.03922	6.9
128.07077	0.8
129.06583	10.8
129.10242	1.4
131.04929	3.1
131.08496	0.9
131.11877	0.9
132.10201	49.1
133.06482	0.7
133.10114	1.4
135.04454	1.4
135.11740	0.8
136.07607	0.8
137.05969	1.9
137.09601	1.8
138.05486	0.7
139.03876	2.2
141.06566	7.0
142.05139	0.8
145.02840	14.3
145.04932	0.6
145.06528	0.9
145.09975	0.6
146.08118	1.7
147.03241	1.3
147.04399	18.0
147.05502	1.2
147.11681	0.7
149.06010	1.7
152.07138	0.8
152.10713	5.9
159.04430	1.6
159.08084	1.0
161.05888	1.5
163.03961	2.9
163.07547	1.7
167.07037	12.9
169.13367	3.4
171.50804	0.6
173.06027	0.7
175.07549	0.7
177.05467	20.5
177.09081	0.7
178.06277	1.4
178.08600	0.8
180.10172	3.1
182.12871	0.6
184.56396	0.7
187.03906	1.1
187.07610	1.0
189.09029	0.6
191.07063	0.8
193.08566	0.8
193.12253	1.5
193.15970	0.9
196.14455	33.9
197.12854	26.7
197.14680	1.2
199.03925	1.0
201.05515	1.1
202.07169	1.3
205.08598	0.7
211.04192	1.7
211.13284	1.7
214.15501	14.1
218.11731	1.3
222.11267	0.7
224.13919	13.5
224.15942	0.9
224.30669	0.6
225.12302	6.8
227.03488	1.4
235.14401	0.7
242.14966	13.3
243.13441	0.7
245.04597	1.1
245.18654	1.9
248.12883	5.9
255.02916	2.1
260.19049	0.6
273.03772	1.4
285.07697	2.0
286.10809	0.8
299.68823	1.3
302.62775	1.5
313.10895	0.7
329.07959	1.2
330.12100	0.6
338.20847	0.8
345.07471	3.4
346.07956	0.7
355.23404	28.3
356.22064	2.0
373.07053	13.7
373.13239	1.2
373.17664	20.1
373.21597	1.6
373.25772	3.2
373.72644	0.7
374.07562	4.0
374.17947	2.7
374.24869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26133	0.3
53.03938	0.6
55.05504	0.7
59.04973	0.3
62.98843	0.3
67.05500	0.8
69.03413	0.6
69.07063	0.6
70.79855	0.7
70.80221	0.7
72.08150	0.8
75.16244	0.3
78.04711	1.5
79.05497	1.7
81.03403	1.1
81.07041	1.3
81.16414	0.3
84.08097	0.3
85.02887	0.6
91.05494	1.1
93.07030	1.3
95.04966	0.9
95.08596	0.6
97.02860	0.4
97.06528	0.6
99.04481	0.3
103.05460	6.8
105.07028	1.4
106.04145	0.7
107.04950	1.4
107.08606	0.7
109.02885	0.8
109.06487	0.5
109.10158	0.8
111.04425	1.0
118.29873	0.4
119.04924	0.3
119.08523	0.7
121.06496	0.6
121.10103	0.6
122.03638	0.5
123.04428	5.3
123.08041	0.3
123.11646	0.5
124.05206	1.4
125.06023	0.5
127.03922	1.4
131.04927	14.3
131.08551	0.4
133.06535	0.7
133.10153	0.4
135.04445	0.6
137.05969	6.8
138.06358	0.5
139.03941	0.4
141.32965	0.3
143.32135	0.3
147.04430	1.8
147.11687	0.4
149.05983	0.8
151.03871	1.9
152.04721	1.5
153.05461	0.7
159.04387	0.4
159.07916	0.3
159.11777	0.4
161.06006	1.0
163.03897	0.6
163.07539	14.5
165.09178	0.3
167.07036	100.0
168.07381	2.3
173.05916	0.5
175.14787	0.3
177.05450	0.8
177.09082	0.4
179.07057	0.7
181.04764	0.3
181.08569	0.6
187.07498	0.3
189.05527	0.4
193.08617	3.5
193.15938	0.3
201.05460	0.6
205.58269	0.3
208.29236	0.3
211.09618	2.8
211.16953	0.3
219.06560	0.6
263.09708	0.3
287.08228	0.4
313.10962	0.4
343.11417	0.7
345.13318	0.7
355.15140	0.7
357.16895	0.3
373.12189	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05501	0.3
55.67633	0.2
65.03924	0.3
66.25272	0.2
67.05490	0.6
69.03414	0.5
69.36328	2.5
70.06599	0.3
72.08131	0.7
77.03889	0.3
78.04695	1.4
79.05467	1.1
81.03405	0.7
81.07056	0.6
83.04953	0.5
85.02901	0.6
85.06516	0.4
86.09682	0.3
91.05470	1.0
93.03375	0.3
93.07030	0.9
95.04958	0.7
95.08576	0.5
97.02846	0.3
97.06495	0.5
103.05454	7.4
105.07004	0.8
106.04136	0.8
106.84448	0.2
107.04951	1.6
107.08540	0.3
109.02863	0.7
109.10143	0.5
111.08038	0.3
115.05469	0.4
119.04904	0.4
121.06484	0.4
121.10152	0.4
122.03594	0.3
123.04419	4.4
123.08023	0.2
124.05240	1.7
127.03902	0.7
131.04918	15.6
133.06473	1.1
134.03644	0.5
137.05977	0.8
145.02840	0.3
147.04404	0.5
147.11644	0.3
149.05998	0.5
151.03886	1.0
152.04709	1.5
159.08128	0.2
161.05983	0.5
163.07526	18.7
164.07947	0.4
165.01807	0.3
167.07024	100.0
168.07346	2.2
175.07550	0.2
177.05463	0.4
179.07022	0.5
181.08578	0.6
191.14143	0.2
193.08607	3.1
203.06917	0.3
211.09657	2.7
219.02888	0.3
237.03967	0.8
313.10794	0.4
327.12134	0.3
343.11435	0.3
345.07596	0.3
355.08084	1.0
355.11859	0.3
373.07291	0.9
373.13232	0.6
373.17285	0.3
373.21375	0.6
373.25598	0.6
384.61255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1278
Annotation	3,5,7,4'-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone
Peak:m/z	Relative Intensity
53.03902	0.8
55.01831	0.7
55.05468	0.7
57.07051	0.6
65.03876	1.4
66.38803	0.4
67.05438	1.5
68.99734	0.9
69.03389	1.1
69.07014	1.6
69.28751	1.1
69.29156	3.9
70.28145	0.4
71.55805	0.4
78.62875	0.4
79.05426	1.2
81.03400	2.6
81.07053	3.8
83.05002	0.5
83.08564	1.0
85.06538	2.8
91.05425	0.7
91.88924	0.4
93.03316	1.3
93.06986	1.8
95.04967	3.9
95.08592	3.3
97.10112	0.5
105.06979	1.0
107.04896	1.0
107.08523	1.9
109.02814	0.7
109.10082	1.6
109.26556	0.4
111.04408	0.9
119.08481	0.9
121.02108	0.6
121.02849	5.9
121.06477	0.5
121.10096	0.9
123.04368	1.9
123.11672	0.9
131.08475	0.8
134.03601	0.6
135.04352	0.8
135.07993	0.5
135.11597	1.4
137.05920	0.7
143.08601	0.4
147.11620	0.8
149.02333	13.3
149.09570	0.6
149.13232	0.6
151.03862	1.2
161.13284	0.4
163.07452	0.8
167.02333	0.4
167.03391	4.1
167.07036	3.9
169.04968	2.5
177.16277	0.4
179.03375	46.3
180.03732	0.7
185.05907	0.7
192.66252	0.5
193.08615	0.5
197.04439	37.1
198.04730	1.2
209.05925	1.0
211.66605	0.4
213.05449	2.0
224.04498	0.5
227.06929	0.4
230.64108	0.4
237.05479	1.8
238.24431	0.5
243.06503	0.5
252.04115	1.4
265.04929	3.3
280.03647	2.4
283.05997	3.7
285.07397	0.5
295.05969	14.7
296.06372	0.8
301.25195	0.6
313.07019	100.0
314.07361	4.4
319.26364	1.8
337.27359	1.3
355.11716	67.5
355.28488	0.9
356.12027	3.7
373.07788	0.8
373.12781	16.7
374.13065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1277
Annotation	Naphthgeranin C
Peak:m/z	Relative Intensity
59.04991	5.3
66.53648	0.3
67.01836	0.6
67.05467	0.6
69.03409	1.8
69.07039	0.6
71.30390	0.5
71.30715	0.5
79.05448	0.8
81.03390	0.6
81.07008	1.5
83.04925	0.4
85.06515	0.9
91.05446	1.7
92.99723	1.5
93.03388	0.6
93.06995	0.8
95.04933	0.7
95.08620	1.7
97.02877	0.3
105.06998	0.9
107.04916	0.9
107.08546	0.6
107.25840	0.3
109.02844	0.8
109.06439	0.4
109.10098	1.0
111.04411	0.5
117.03322	0.8
117.06971	0.4
118.11611	0.3
119.04904	0.9
119.08564	0.8
119.93606	0.3
121.02811	1.2
121.10081	0.7
123.04427	2.6
123.07986	0.5
123.11643	0.6
127.03871	0.5
129.05644	0.3
131.04878	1.3
135.04369	1.2
137.02299	1.0
137.05951	2.1
143.04942	0.4
145.02808	0.5
145.06436	0.5
147.04410	2.0
147.11652	0.8
149.02342	0.5
149.13091	0.3
151.03883	0.7
153.05385	0.5
159.04305	0.6
161.02275	0.7
163.03854	1.8
163.07452	1.0
165.05446	0.4
165.07005	0.5
167.03282	0.4
167.07005	2.5
167.08455	0.7
173.05998	0.6
173.13219	0.6
175.03857	0.8
175.07565	0.4
177.07016	0.4
179.03372	3.4
193.08630	0.4
195.02870	0.4
195.08015	1.2
198.06693	0.9
211.07597	0.5
213.09085	1.3
219.06537	0.3
223.07487	0.9
229.04877	3.7
233.07988	0.4
239.07080	0.7
241.08534	3.9
242.05673	0.7
247.06000	1.1
251.07010	0.9
253.05058	0.4
255.06464	0.9
267.06497	2.0
269.08014	2.9
270.05127	0.6
271.05994	1.3
273.03903	2.5
279.06491	4.3
281.08057	1.0
283.05975	5.0
295.05930	1.5
295.09143	0.4
297.07532	100.0
298.07919	5.3
299.09039	1.3
308.06772	1.5
309.07709	2.2
309.10971	0.7
319.26346	0.5
327.08536	3.5
332.48749	0.4
337.10623	6.1
345.13028	0.5
355.11694	59.5
356.12122	3.5
373.12781	44.4
374.12939	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	372.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01545	1.0
55.05512	1.1
56.05022	1.0
56.96554	2.2
57.03429	1.2
57.07098	0.8
58.06570	1.4
58.29382	0.9
60.04504	1.2
61.02914	1.9
67.05492	1.4
68.05017	0.9
69.03419	4.3
70.06596	7.5
71.04995	1.3
71.06891	1.1
71.40917	1.9
72.08148	12.0
73.02900	1.1
73.04749	1.9
74.06049	1.2
76.04013	1.3
79.05476	1.0
81.03397	2.4
82.97298	0.8
83.04932	1.0
83.06074	1.1
84.04496	1.9
84.07682	1.6
84.08136	17.4
84.08618	1.8
85.02907	8.2
86.06059	1.3
86.09706	1.9
87.04449	0.8
89.02386	1.5
89.10744	1.5
89.82873	1.4
90.15190	0.9
91.05811	15.7
92.05697	1.6
92.06195	1.1
94.06561	1.1
95.04948	1.2
96.08115	6.4
97.02901	4.5
97.06503	1.4
98.06042	2.4
98.09667	2.9
98.97547	1.8
98.98455	2.1
99.04422	1.1
100.07597	2.6
103.86271	1.0
107.04945	1.7
109.02858	1.3
109.33798	0.9
110.06007	1.4
110.07159	1.2
110.09673	35.0
112.11237	1.5
114.07362	1.0
114.09134	1.4
114.10291	1.1
116.07077	1.1
119.04947	2.0
122.09653	1.7
124.07564	2.1
124.11214	4.4
127.03899	3.9
130.08597	1.3
134.09627	2.5
134.99695	1.4
136.06155	1.0
136.11195	2.9
137.05991	1.0
138.05498	17.2
140.07002	1.0
145.04933	1.7
147.04401	10.0
147.06628	1.1
148.11159	2.9
150.12782	1.5
154.08684	1.6
162.09088	2.3
162.12766	3.8
163.03920	1.0
164.05161	1.3
164.07130	1.5
174.04292	0.9
210.07672	1.8
211.05852	0.9
217.17003	2.1
218.11732	2.6
219.18498	1.2
223.14478	1.3
231.18533	3.7
233.20184	1.7
235.14424	3.8
237.02667	0.9
239.14148	0.9
241.15587	1.2
243.18588	1.2
245.20096	11.9
249.39638	1.0
267.16998	2.1
267.99725	1.1
268.97656	1.0
269.97864	2.2
270.97696	1.1
285.01108	1.8
286.01047	3.5
287.00787	1.1
326.25876	53.9
327.26163	3.8
328.27448	82.1
329.27673	6.4
354.10913	1.0
354.20319	1.7
356.07013	6.3
357.06979	1.5
372.17261	5.4
372.21478	5.6
372.26410	100.0
372.68542	1.1
373.07355	1.2
373.16049	1.2
373.26672	7.7
374.08044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10414	0.4
51.84935	0.3
52.05098	0.4
53.03937	0.9
55.01856	0.9
56.96549	0.7
57.03430	1.8
60.04516	0.5
61.02918	2.9
61.22302	0.4
62.06081	0.4
62.43121	0.4
69.03429	7.1
69.42920	4.7
70.06592	1.3
71.04988	1.6
72.04514	0.9
72.08146	2.0
73.02905	1.1
73.04742	0.8
74.06078	0.6
79.05486	0.6
81.03431	3.0
81.03831	0.5
83.04982	0.6
84.04514	0.5
84.08137	1.8
85.02899	18.1
86.09725	0.6
87.04472	1.2
91.03975	0.8
91.05858	5.7
92.05694	0.6
95.05015	0.5
96.04488	0.5
97.02883	6.3
98.97569	0.6
98.98474	0.6
99.04453	1.6
103.05454	2.6
105.07015	4.5
107.04945	1.4
109.02888	2.4
110.06046	0.6
115.08665	0.5
117.05745	0.8
117.07001	0.7
118.06519	1.2
119.07319	2.6
120.08093	4.4
122.09573	0.4
127.03903	4.1
128.06218	0.5
129.07005	3.2
130.06487	0.5
131.04900	1.4
136.06139	0.8
137.08582	0.5
138.05504	7.9
140.07103	0.6
145.04961	2.6
146.09641	4.9
147.04393	1.5
150.05554	0.6
164.10704	96.9
165.11044	1.7
192.10194	1.7
210.11238	100.0
211.11539	2.4
226.56038	0.5
246.57280	0.5
250.09329	1.8
260.62546	0.4
269.97940	0.7
270.97461	0.4
285.01099	0.9
286.00967	2.2
287.00775	0.5
289.82068	0.5
304.02020	0.5
336.14566	0.6
354.15396	0.5
356.07068	2.6
372.16522	11.0
372.20682	0.5
373.16687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01860	5.7
55.05502	22.2
56.96553	2.0
57.03433	2.5
57.07059	5.8
59.04995	2.5
59.38254	1.7
61.02904	2.3
62.06052	2.0
65.03917	3.6
67.05161	2.7
67.05499	42.9
68.05829	2.3
69.03423	12.9
69.06727	2.6
69.07066	37.5
71.04974	7.7
71.08617	3.8
71.61564	2.0
71.61971	2.3
79.05485	32.2
80.05836	1.7
81.03395	6.4
81.07049	100.0
83.04972	16.3
83.08617	13.7
85.02894	19.8
85.06538	26.5
85.57773	1.8
86.09669	5.2
87.04442	2.8
91.05439	23.6
92.05781	2.4
93.07043	42.2
95.04961	14.7
95.08603	83.1
96.08879	2.6
97.02895	9.2
97.06544	13.1
97.10157	6.8
99.04432	3.4
99.08083	9.4
101.06001	6.4
103.05470	5.2
105.07029	30.8
107.04948	19.1
107.08587	42.5
109.02881	5.2
109.06535	11.5
109.09454	3.2
109.10148	50.4
111.04415	2.0
111.08054	4.9
111.11674	6.9
113.09609	3.1
115.05422	4.0
115.07539	3.5
117.07016	3.6
119.04932	5.4
119.08570	22.5
121.02905	1.9
121.06491	6.9
121.10140	32.4
122.03602	4.7
123.04419	22.3
123.08018	7.7
123.11704	24.3
124.05193	2.5
125.05962	4.7
125.09613	4.8
127.03868	7.5
127.07552	5.2
129.05441	6.5
129.06978	8.5
131.04889	5.7
131.08539	12.0
133.06488	5.9
133.10107	20.1
135.08031	7.7
135.11681	27.4
137.05962	36.5
137.09586	4.0
137.13248	12.8
139.07518	3.4
139.11165	4.1
141.06961	2.8
143.06990	2.5
143.08546	3.2
145.04922	6.5
145.06491	5.4
145.10132	14.0
147.04369	10.8
147.06560	2.0
147.08003	7.7
147.11681	19.8
149.05959	5.0
149.09590	7.8
149.13283	20.9
151.03893	3.7
151.07538	5.9
151.11171	6.4
151.14856	3.3
152.04697	2.2
153.05453	9.8
153.08893	2.1
153.12675	3.8
155.07007	5.3
155.08398	2.5
156.05647	6.9
157.06410	3.0
157.10042	3.8
158.07237	2.9
159.08017	7.7
159.11708	9.0
161.05952	8.4
161.09608	3.9
161.13200	5.7
162.18567	1.9
163.03856	3.8
163.07501	6.6
163.11154	5.6
163.14807	9.3
165.09062	4.2
165.12737	10.9
167.07030	74.9
167.10667	3.3
168.07373	4.2
172.05122	2.7
173.05890	2.4
173.09671	3.4
173.13202	5.5
174.06740	3.3
175.03853	4.0
175.07491	16.2
175.11122	2.6
175.14781	8.7
176.04321	3.7
177.05557	4.9
177.09087	2.6
177.12630	2.6
177.16335	7.1
179.06949	2.5
179.10567	2.8
179.14270	2.2
179.17943	2.0
181.05069	2.4
181.08482	2.9
181.12128	3.1
187.07533	24.3
187.11166	2.2
187.14764	2.1
189.09056	5.3
189.12741	3.4
189.16348	4.0
190.07767	4.3
191.07007	6.8
191.08531	2.7
191.14250	16.0
191.17902	4.0
193.12224	4.2
193.15794	2.9
197.05896	2.3
197.11612	3.0
199.07542	5.1
202.06172	3.2
203.06885	2.2
203.08603	4.6
203.17931	4.3
205.08588	3.1
205.19438	3.6
207.06525	7.9
207.13817	3.0
208.06877	4.3
209.11752	3.1
209.15413	4.0
211.13152	2.5
217.08583	24.5
218.07233	4.9
219.08072	3.7
219.10103	2.9
221.09607	4.4
223.20547	2.0
231.07968	5.4
233.09596	8.2
234.06718	5.8
235.07460	7.9
239.06952	5.1
241.08566	7.9
243.08028	2.8
244.08893	2.2
246.06831	2.0
247.07343	3.9
247.09633	7.1
249.08997	8.2
251.07137	2.2
253.17888	3.9
261.09064	10.3
262.09821	2.6
263.06903	7.8
263.10492	2.0
263.23810	3.1
264.07715	3.1
265.08606	3.4
267.10013	2.9
269.08029	4.0
271.05939	2.6
271.24130	4.5
277.08511	8.5
278.09256	9.0
279.09903	3.7
280.07077	2.4
281.08398	2.8
281.11670	9.7
282.11972	2.7
283.06137	2.4
285.07584	10.4
285.10870	2.8
289.08453	4.5
289.25165	11.0
291.10193	3.7
293.11667	8.0
294.08865	2.3
295.09430	3.5
299.05481	6.6
299.23651	4.5
300.09885	12.4
301.10419	6.7
306.08841	3.1
307.09592	7.1
307.26321	6.9
309.11234	14.2
311.12558	2.1
313.10562	2.5
317.24689	18.5
321.11240	13.2
322.11691	2.8
323.09039	2.8
326.11383	5.7
335.21976	3.2
335.25763	39.1
336.11499	7.3
336.25854	4.3
339.12161	7.0
341.13818	16.0
353.10092	10.1
353.13864	23.8
353.26910	17.9
354.14206	3.2
371.11020	23.6
371.14929	21.5
371.20563	9.3
371.28033	4.0
372.10748	2.3
372.15036	4.0
372.27805	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01860	4.1
55.05507	40.3
57.03424	20.8
57.07064	11.6
58.93172	2.5
67.05499	80.8
69.03412	4.0
69.07062	24.2
71.04978	8.1
71.08630	33.3
79.05483	32.5
81.07050	100.0
83.04972	8.3
83.08610	28.7
85.06532	6.1
85.10165	21.3
91.05444	27.6
92.05794	3.9
93.07030	37.4
95.04988	6.7
95.08598	80.2
96.08945	4.2
97.06512	10.0
97.10155	8.4
99.08078	27.6
101.06029	3.8
105.07027	28.4
107.04967	7.3
107.08570	21.1
109.06506	5.0
109.10145	32.8
111.08072	7.0
113.09622	31.0
117.07015	5.2
119.08576	15.6
121.10133	21.6
123.04415	16.5
123.08050	6.1
123.11700	9.6
125.09618	3.1
129.05486	3.7
131.04915	4.0
131.08566	10.3
133.10139	20.6
135.08067	5.3
135.11694	11.2
137.05978	4.0
137.09525	3.1
137.13261	13.0
145.10156	7.9
146.44878	2.6
147.04340	3.1
147.06494	6.2
147.11690	22.0
149.06082	2.6
149.09604	5.9
149.13196	13.6
149.18037	2.6
151.11197	3.5
151.14795	5.4
153.05530	4.8
153.12706	5.0
159.11665	7.1
161.13211	13.5
163.11124	5.1
163.14803	7.6
165.12794	4.8
167.07047	12.2
167.14322	8.1
173.11855	3.0
173.13239	8.4
175.07469	3.6
177.12752	3.6
179.14336	8.8
181.04970	2.9
181.12137	3.6
187.07549	4.5
187.14853	3.6
191.14330	2.7
209.15413	5.6
217.08545	4.5
223.16901	4.5
233.22748	3.2
243.21129	9.3
253.17964	4.1
261.22055	19.7
276.31351	2.8
279.23172	64.4
280.23627	3.0
297.10181	5.5
299.05664	5.3
301.06842	6.5
308.17554	2.8
309.11081	3.4
310.04950	3.5
312.12430	4.4
322.11285	2.7
325.07062	10.3
335.25934	3.7
340.84723	2.9
353.09940	5.7
353.13818	6.2
353.26923	24.4
371.11035	19.3
371.28180	35.1
372.14450	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.6
55.05506	44.8
55.84571	2.5
57.03428	10.1
57.07066	11.2
59.90018	1.9
67.05498	94.8
69.03417	6.9
69.07063	53.6
70.42812	10.1
71.04984	5.2
71.08624	23.9
74.37124	2.1
79.05482	37.1
81.03435	2.8
81.07049	100.0
82.07351	2.3
83.04958	8.8
83.08611	28.3
85.06515	8.3
91.05434	17.7
93.06464	3.2
93.07037	49.8
95.04967	3.5
95.08593	71.0
97.06515	9.4
97.10158	32.3
99.08078	19.4
99.45313	2.6
101.05999	4.4
103.80341	2.4
105.06994	17.1
107.00819	2.2
107.08576	37.9
109.06508	6.7
109.10146	52.1
111.04475	2.0
111.08076	9.3
111.11684	4.8
113.09644	3.6
117.07003	7.4
119.08569	10.9
121.10121	22.2
123.11707	16.7
125.09618	21.6
127.03881	2.0
127.11206	2.5
129.05437	5.1
131.08563	9.3
133.10110	7.5
135.08081	4.7
135.11685	23.8
137.09627	4.1
137.13242	11.5
145.10054	5.7
147.06482	5.6
147.11678	16.6
149.09570	3.2
149.13188	11.2
151.11168	3.2
151.14810	5.1
153.09058	2.3
153.12755	13.9
159.11719	6.2
161.13242	7.4
163.14825	12.4
164.44547	2.1
165.12738	9.1
167.07059	3.8
167.14272	2.9
173.11690	7.0
173.13246	9.6
175.14740	4.3
177.12807	4.1
177.16371	4.0
179.14299	3.4
181.12202	3.6
181.15831	3.4
185.13040	2.2
187.11211	3.7
187.14734	2.9
189.11151	13.8
191.14192	2.4
209.15298	4.8
209.33514	2.2
219.21109	2.7
223.16798	2.6
227.12758	7.7
233.22520	4.5
243.21037	11.2
245.13765	6.9
255.19627	3.0
261.22153	29.9
279.23154	95.6
280.23535	6.5
288.86920	2.4
317.24240	2.4
353.26849	87.4
354.27185	5.1
371.27771	10.0
372.34811	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	371.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.2
55.01862	5.3
55.05504	21.8
56.96553	2.2
57.03424	3.0
57.07055	5.6
59.04999	2.8
65.03915	3.1
67.05167	3.1
67.05496	48.0
68.99770	2.7
69.03416	9.9
69.07059	36.1
69.49263	4.3
69.49668	14.9
70.06620	2.0
71.04968	6.9
71.08619	2.6
78.23198	1.9
79.05479	33.2
81.03401	8.1
81.07044	100.0
83.04970	16.5
83.08601	13.7
84.08172	2.2
85.02891	9.3
85.06534	23.3
86.09676	8.1
89.72690	2.4
91.05434	26.6
92.05796	2.3
93.07030	43.0
95.04975	13.0
95.08589	82.6
96.04495	2.0
97.02884	5.6
97.06505	13.4
97.10165	8.7
99.04438	3.1
99.08076	7.6
101.06004	8.2
103.05466	2.2
105.03306	1.8
105.07023	31.7
107.04941	20.9
107.07857	3.1
107.08575	45.8
109.02852	13.4
109.06490	12.5
109.10139	58.7
111.04422	4.0
111.08070	8.2
111.11688	5.2
113.06006	2.8
113.09630	2.0
115.05425	5.5
115.07553	2.8
116.06243	2.2
117.06993	5.5
119.04918	8.4
119.08562	21.0
121.02888	3.6
121.06480	9.9
121.10130	25.3
122.03638	2.4
122.06033	8.9
123.04424	19.0
123.08041	6.7
123.11688	31.3
124.05159	3.8
125.05985	8.1
125.09618	4.8
127.03891	4.8
127.07512	4.4
128.06180	2.5
129.05476	7.0
129.07005	11.8
129.85030	2.1
131.04912	4.4
131.08537	12.4
132.05736	2.2
133.06479	9.6
133.10107	17.7
135.04378	3.7
135.08076	7.4
135.11667	26.3
136.11996	2.1
137.02364	5.2
137.05942	29.6
137.09575	5.6
137.13165	10.6
139.03868	4.0
139.07529	2.7
139.11095	3.6
143.07066	3.3
143.08524	4.7
145.05008	1.9
145.06424	5.0
145.10126	10.1
147.04381	17.8
147.06502	3.0
147.08026	4.5
147.11642	13.7
149.05907	4.8
149.09581	3.4
149.13239	21.8
151.03932	4.3
151.07547	10.0
151.11116	6.1
151.14774	2.9
153.01820	2.9
153.05453	46.9
153.12706	3.4
155.07034	5.2
156.05690	4.8
157.06459	3.3
157.10085	4.3
159.08035	12.9
159.11673	9.0
161.05914	11.1
161.09605	4.7
161.13206	6.7
163.03886	4.5
163.07510	23.4
163.11157	4.2
163.14838	7.9
165.01819	3.4
165.09126	6.7
165.12721	5.6
165.16370	2.0
167.07021	93.1
169.10060	2.5
171.08051	2.1
171.13766	3.6
172.05194	2.7
173.05968	3.7
173.13312	4.8
174.06656	3.0
175.03928	3.9
175.07498	21.1
175.11244	2.8
175.14764	4.8
177.05486	5.7
177.09081	6.3
177.16339	3.7
179.06981	6.2
179.08507	2.2
179.10657	4.2
179.14253	2.2
181.05009	2.7
183.02846	2.6
187.07520	23.3
187.14752	4.2
189.07089	2.9
189.09082	7.0
189.12758	2.6
189.16338	4.1
190.07869	3.0
190.47908	2.2
191.07030	6.9
191.08640	2.7
191.10660	4.9
191.14293	6.5
191.17932	5.5
193.12215	4.0
197.11606	3.2
199.07524	7.9
199.14804	2.5
199.18082	3.1
201.09012	4.8
201.12646	2.3
201.16412	3.8
202.07788	3.8
203.08611	3.6
203.17851	2.2
205.08563	15.0
205.19540	3.8
206.07249	3.2
207.06531	5.3
207.13710	3.1
208.06769	4.0
209.06921	3.8
209.15337	5.2
211.13223	2.3
215.06865	2.6
215.18031	2.7
217.08554	18.8
217.15819	2.7
218.07281	3.6
219.08128	3.6
219.10048	3.4
221.09615	4.0
223.07535	2.4
223.20502	4.7
231.08051	3.8
232.08716	3.2
233.09662	5.0
234.06711	3.4
235.07549	4.4
239.06895	2.8
240.07558	2.9
241.08609	5.0
247.09734	4.5
248.08257	2.8
249.09174	11.7
251.06949	3.4
252.07718	3.1
253.08083	2.9
260.08420	2.2
261.09085	9.1
263.06897	4.4
264.07776	3.6
265.08609	2.5
267.06265	2.8
269.07977	2.7
271.24200	5.3
277.08478	11.7
278.09415	6.3
279.06555	3.4
279.10101	5.7
281.08453	2.7
281.11475	9.5
281.22354	3.3
283.05765	3.8
285.07626	10.4
289.08615	4.5
289.25290	7.4
290.09293	2.2
293.08325	3.8
293.11728	7.4
293.23022	3.8
294.08698	4.0
295.09418	2.7
299.05515	28.8
299.08792	2.6
299.23749	4.2
300.06290	4.4
300.09882	15.8
301.10522	9.3
306.08682	3.1
307.09534	5.7
307.26273	6.3
309.11179	16.1
310.11411	2.3
311.08853	3.3
317.24750	11.0
321.11179	14.3
322.11584	2.7
323.09036	3.8
325.07132	4.5
325.10660	3.4
326.11484	8.8
329.10428	2.2
335.25812	27.8
338.07785	3.6
339.12360	6.1
341.13818	14.6
353.10074	13.1
353.13837	21.0
353.26913	12.8
354.14008	4.4
371.11063	32.7
371.15005	20.0
371.21005	4.1
371.25333	4.2
372.15073	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	371.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73272	3.5
55.01872	8.2
55.05507	51.1
57.03439	9.5
57.07068	11.6
58.78674	3.6
63.85283	4.1
67.05504	95.6
69.07066	56.8
71.04975	5.8
71.62601	3.7
79.05493	36.9
81.07049	100.0
81.07513	5.7
83.04989	8.4
83.08617	26.4
85.06526	5.7
85.38877	3.7
91.05454	17.0
93.07040	45.4
93.66741	3.1
95.04996	5.6
95.08608	77.2
97.06533	14.6
97.10172	27.6
99.08081	6.0
101.06001	3.5
105.07026	14.3
107.04919	3.5
107.08583	41.3
109.06479	4.6
109.10152	50.8
110.25986	3.0
111.08087	10.1
113.09626	5.3
117.07034	8.0
119.08588	12.1
121.10136	17.9
123.08038	4.0
123.11711	18.6
125.09618	19.3
129.05487	5.1
131.08536	11.2
133.10121	9.6
135.08029	5.9
135.11678	25.5
137.13246	14.2
145.10086	6.2
147.06491	9.1
147.11678	8.2
149.13249	15.1
153.12746	16.6
159.11682	6.8
161.13246	6.3
163.14813	7.6
165.12833	4.6
173.11743	10.8
173.13309	10.5
175.14911	4.2
177.16251	4.4
181.12247	4.7
189.11226	14.9
209.15425	4.2
209.48373	3.4
223.17081	3.4
227.12762	11.4
243.21150	10.8
245.13800	9.1
261.22119	41.6
266.87881	3.9
279.23196	98.1
297.10052	3.7
353.26840	86.9
354.26950	4.0
371.11136	6.6
371.28134	11.7
371.78113	3.8
372.14160	5.5
377.58728	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	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01852	6.9
55.05508	41.5
57.03439	23.5
57.07069	8.8
59.04976	2.2
65.03953	3.2
67.05502	100.0
69.03430	4.0
69.07067	72.1
69.73373	3.5
69.73779	9.9
71.04988	7.0
71.08634	3.7
74.93189	1.9
78.89272	1.7
79.05490	43.0
81.03436	2.2
81.07053	99.9
83.04974	8.6
83.08618	23.1
85.02886	2.6
85.06554	5.3
91.05415	13.1
93.07037	48.3
95.04957	7.4
95.08604	73.6
97.06519	14.9
97.10163	14.9
101.06029	2.6
105.07037	11.4
107.04978	3.3
107.08590	25.8
109.06528	4.3
109.10153	48.8
110.02374	2.2
110.10601	2.3
111.08092	3.7
111.11694	4.8
117.07053	5.4
119.08572	10.9
121.06511	3.9
121.10135	30.6
123.04395	11.2
123.08112	4.2
123.11700	18.9
125.09653	5.7
129.05496	2.5
131.08604	9.6
133.10133	8.9
134.99911	1.9
135.08080	3.5
135.11674	16.4
137.06042	2.2
137.13284	8.7
139.11163	13.0
145.10168	4.5
147.04417	2.6
147.06511	4.1
147.11714	5.7
149.05937	3.7
149.09650	4.5
149.13266	8.5
151.11157	2.4
151.14766	3.4
153.05493	2.4
157.10101	2.3
159.11687	5.0
161.05960	2.4
161.13280	5.4
163.14931	3.0
167.07034	9.0
167.10760	2.2
173.11749	15.9
173.13272	9.3
175.07550	5.6
175.14899	2.6
177.12769	3.0
181.12282	2.0
187.14761	2.8
189.11304	5.8
191.14320	2.7
203.12819	4.2
209.15343	5.1
217.08705	3.8
221.11728	2.2
226.75826	2.0
229.14438	2.6
243.21062	6.5
261.22159	14.3
279.23193	43.7
285.07736	3.4
297.07214	2.3
297.10587	2.7
299.05521	3.5
335.25769	3.1
349.16751	2.7
353.10175	10.9
353.14044	3.8
353.26892	16.9
355.06805	2.3
371.10922	10.5
371.15192	6.7
371.27979	95.6
372.28384	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01855	1.5
55.05507	3.2
56.95749	0.6
56.96562	2.0
57.03421	1.9
57.07055	1.0
59.04995	0.6
61.02910	3.0
67.05507	3.9
69.03426	9.6
69.07063	1.1
69.87942	4.4
70.06587	3.6
71.04990	6.9
72.08148	6.3
73.02909	1.4
73.04758	0.9
78.38678	0.6
79.05492	2.0
81.03401	5.0
81.07075	3.6
83.04974	5.5
83.08605	1.5
84.04500	1.3
84.08128	3.1
85.02896	25.2
85.06539	2.2
85.07635	1.0
86.03221	0.6
86.06042	0.9
86.09689	2.0
87.04452	1.0
91.03978	1.2
91.05853	8.8
93.07046	3.5
95.04960	100.0
95.08611	2.6
96.05277	1.2
97.02892	8.8
97.06514	2.0
98.97563	1.4
99.04446	25.9
99.08080	0.9
101.06017	3.4
103.03939	0.8
103.05395	0.8
105.07027	4.5
107.04933	2.2
107.08582	5.5
109.02876	3.5
109.06505	1.4
109.10175	3.3
109.32489	0.6
110.02403	1.6
110.93726	0.7
111.04446	1.4
111.08057	1.6
112.07573	0.7
116.07070	1.0
116.98604	1.0
117.03380	1.2
119.04942	2.3
119.08567	3.2
120.08109	0.8
121.06505	1.2
121.10130	13.2
123.04445	0.7
123.08072	1.5
123.11707	1.0
124.03939	1.0
124.07545	0.8
125.06005	0.9
125.09665	0.8
126.05431	0.7
127.03912	7.2
129.05533	1.5
129.10233	0.8
131.08545	3.1
133.02814	0.7
133.06462	1.0
133.10100	7.4
134.99605	1.0
135.04395	0.9
135.08049	1.5
135.11613	1.1
135.64548	0.6
137.05977	2.0
137.09625	1.7
138.05510	1.3
139.11174	1.7
143.08572	0.7
145.02882	2.7
145.04948	3.1
145.06487	0.9
145.10083	1.2
146.03201	0.8
147.04405	6.4
147.06535	2.2
147.08026	0.7
147.11668	3.9
149.05968	1.2
149.09616	1.3
149.13298	3.3
151.07510	0.9
151.11172	2.1
152.07109	1.0
153.09084	39.8
154.09482	1.1
163.03889	5.9
163.07567	1.2
163.14790	2.2
164.07130	0.8
167.07076	5.7
167.14278	1.0
170.09712	1.0
173.13266	8.7
175.02690	0.9
177.00694	1.0
177.05475	7.6
178.05798	1.9
179.06998	0.8
181.12349	0.8
187.07574	0.9
189.05348	0.8
191.14288	11.2
193.08559	1.0
193.15886	2.1
198.09174	1.6
208.09715	1.2
209.04477	3.4
209.08096	1.1
209.10027	1.8
209.15347	43.6
210.15764	1.5
218.11815	0.9
234.11140	1.3
239.08203	2.1
248.12849	2.0
268.97900	1.6
281.27005	0.6
285.00992	3.6
289.66055	0.7
303.01782	1.0
326.13333	1.1
335.18524	0.8
343.15042	0.7
353.13840	0.9
355.07050	3.5
371.11453	1.1
371.16013	5.3
371.20456	1.9
372.14124	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	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.29782	0.7
53.03928	1.2
55.01862	1.5
55.05496	3.0
57.03426	2.2
57.07058	2.0
58.71360	0.6
61.02915	1.0
67.05506	3.7
69.03427	13.6
69.07047	4.5
69.47871	0.6
70.75655	1.8
71.04597	0.8
71.04980	1.3
72.08131	1.8
73.02917	1.2
79.05473	3.8
81.03403	2.3
81.07056	5.7
83.04984	9.4
83.08609	1.4
85.02889	6.2
85.06547	3.4
91.05428	2.2
93.07043	4.8
95.04940	3.1
95.08591	9.3
97.02885	2.6
97.06530	1.8
97.10182	0.7
99.04437	1.5
99.08089	1.1
105.07007	4.5
107.04922	1.4
107.08591	13.5
109.02868	1.0
109.06506	8.5
109.10194	3.6
111.08071	9.8
119.04964	1.4
119.08541	3.8
121.02859	1.3
121.06497	2.0
121.10146	10.2
123.04403	2.0
123.08034	3.3
123.11687	2.6
125.08748	1.3
125.09622	23.5
127.03931	4.5
127.19180	0.6
129.05420	0.8
129.06966	1.1
131.04871	0.8
131.08556	7.0
133.10121	7.7
135.08040	18.1
135.11676	5.4
137.05948	3.0
137.09660	1.5
143.08536	1.7
145.04997	0.7
145.10107	4.0
147.04413	3.0
147.06445	0.9
147.11681	3.3
149.09607	14.9
149.13237	4.9
150.10371	2.7
151.11166	1.9
153.09097	8.5
158.10875	3.5
159.08067	1.2
161.05910	1.2
161.09467	1.3
163.05994	0.7
163.11162	6.9
163.14784	5.6
165.12718	2.1
167.07021	6.5
171.82133	0.7
173.13258	21.6
174.13583	0.7
175.07579	1.3
176.11983	3.8
177.05492	1.6
179.03529	0.6
187.07471	1.8
189.09128	0.9
191.14294	98.6
192.07767	1.7
192.14619	3.7
203.08563	0.7
209.15356	100.0
210.15591	3.7
217.08606	1.6
241.08609	0.7
277.08502	1.0
285.00687	0.9
285.07455	0.9
300.09891	0.9
335.18518	1.0
339.11737	0.9
341.13837	1.0
353.13538	1.6
353.19641	5.3
371.15967	2.1
371.20578	31.0
372.21277	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	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52961	2.6
52.03053	2.5
53.03925	6.4
55.01853	6.2
55.05503	27.1
55.50611	2.4
57.03424	8.2
57.07079	20.3
58.99224	2.5
59.04976	3.4
67.05486	15.2
69.03426	36.9
69.06729	2.8
69.07066	38.1
70.06572	6.6
70.42346	11.8
71.01316	3.1
71.04970	6.0
71.08611	3.6
72.08150	7.2
79.05479	21.9
81.03395	14.9
81.07051	100.0
83.04977	33.3
83.08147	4.0
83.08614	60.6
84.08147	6.7
85.02901	35.6
85.06553	12.9
86.09694	3.1
91.05404	15.1
93.07040	41.7
95.04965	16.4
95.08589	22.1
97.02880	16.7
97.06519	13.6
97.10181	3.2
98.06103	2.6
99.04437	7.4
101.50400	2.7
102.73309	2.4
105.07037	17.0
107.04948	6.7
107.08588	46.6
109.02879	9.4
109.06509	67.2
109.10139	50.8
110.06776	2.4
111.04410	4.4
111.08059	25.2
112.07581	3.0
119.04953	5.2
119.08566	13.5
121.06464	4.0
121.10141	44.7
122.10411	4.5
123.08042	8.5
123.11691	29.0
125.05988	4.6
125.09579	8.5
125.13242	10.9
127.03904	26.9
127.07529	6.2
129.05511	3.8
129.06996	3.5
131.08548	12.2
133.10117	36.5
135.08032	12.4
135.11636	5.2
137.05968	20.1
137.09581	5.6
137.13222	3.7
139.07549	4.7
143.08530	3.7
144.05696	3.9
145.04950	7.9
145.06287	3.1
145.10101	6.5
147.04375	8.1
147.11681	5.0
149.06070	2.7
149.09599	6.0
149.13237	53.5
151.03893	3.4
151.07487	3.9
151.11143	13.8
153.09091	14.0
156.05652	3.4
159.08067	4.7
161.09619	3.8
163.14748	17.2
167.07028	11.2
167.14305	70.9
169.12199	5.9
171.10126	13.2
173.13216	23.1
175.07532	3.9
175.11282	3.5
177.05473	5.0
182.05579	2.9
187.07460	4.7
189.09077	3.1
191.14287	47.6
208.14212	2.5
209.15367	48.7
217.08533	11.4
227.16353	7.9
233.09518	3.9
234.06677	2.8
239.07072	6.5
247.09700	4.6
249.09166	4.6
261.09152	8.0
278.09390	5.4
285.00720	4.1
285.07513	15.2
289.08575	4.7
293.11700	5.0
299.05316	3.0
300.09906	16.4
301.10452	4.0
307.09778	4.4
309.11270	4.8
313.10504	7.4
321.11197	8.7
322.11435	2.8
341.13803	3.9
353.13913	17.9
353.19791	7.1
371.16455	22.4
371.20703	11.4
391.87494	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	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.84051	0.5
53.03939	0.8
55.01867	1.4
55.05500	1.9
55.35551	0.5
57.03424	1.4
57.07059	2.0
59.04980	0.5
61.02923	0.6
67.05502	3.4
69.03070	0.8
69.03427	13.5
69.07063	3.4
70.06585	1.1
70.92673	0.6
70.93015	1.0
71.04974	1.6
72.08138	1.5
73.02882	0.8
79.05471	2.3
81.03405	2.3
81.07046	3.8
83.04968	9.1
83.08594	1.5
84.08126	0.6
85.02894	7.0
85.06544	3.1
86.03242	0.5
86.09690	1.1
89.06023	5.6
89.28020	0.5
91.05393	0.9
91.05849	0.5
93.07059	3.3
95.04966	13.7
95.08596	7.9
97.02864	3.7
97.06506	1.5
98.09697	0.6
99.04433	4.0
99.08085	1.4
101.02389	0.7
101.06029	0.6
103.05441	0.6
105.07048	3.9
107.04945	1.3
107.08584	14.6
109.02864	1.1
109.06516	6.7
109.10156	2.7
111.07376	0.5
111.08080	8.6
113.09612	0.7
114.69632	0.5
115.04062	0.5
115.05437	0.7
117.03307	0.6
117.07070	0.6
119.08553	3.9
121.06488	1.4
121.10127	8.3
123.04428	0.6
123.08054	3.4
123.11687	2.5
124.03963	0.5
125.09613	21.8
127.03880	4.5
129.06929	0.6
131.08551	6.9
133.08594	3.0
133.10124	8.1
135.08043	16.5
135.11681	5.4
136.08788	0.6
137.05963	1.0
137.09607	1.2
143.08476	1.4
145.02843	0.9
145.04898	1.2
145.10118	3.0
147.04375	1.0
147.07994	0.6
147.11676	2.6
149.09608	14.1
149.13264	3.5
150.10429	2.7
151.11156	1.8
153.09084	11.4
158.10884	4.4
159.08057	0.7
161.09590	1.7
163.11156	6.1
163.14803	4.3
165.12695	1.4
167.07051	2.8
167.10681	1.3
173.13246	20.1
174.13701	0.8
175.07465	0.6
176.11888	2.7
177.05496	2.5
177.09053	0.5
177.11086	0.7
187.07541	1.0
191.14288	89.2
192.14644	3.3
194.09190	0.6
209.15347	100.0
210.15685	3.0
217.08643	1.0
248.12674	1.0
275.16238	0.5
341.13705	0.7
353.06299	0.8
353.13559	1.0
353.19540	4.7
355.07098	0.6
371.15524	1.9
371.20569	27.3
372.20859	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	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03938	8.3
55.01866	10.6
55.05508	39.0
57.03424	15.6
57.07070	24.3
59.04992	6.3
61.02909	8.0
62.12827	3.1
67.05508	24.1
67.86599	3.5
69.03423	57.4
69.07059	43.8
69.44150	31.8
70.06600	16.6
70.45621	3.6
71.01373	3.4
71.04982	12.1
71.08642	4.5
72.08168	26.9
73.02924	7.9
73.04758	6.4
76.52999	3.2
79.05480	32.3
81.03424	22.2
81.07050	100.0
83.04972	47.4
83.08614	68.3
84.08140	9.1
85.02898	84.0
85.06532	16.5
86.09680	5.6
87.04475	4.9
91.05871	30.5
93.07041	59.3
95.04972	18.2
95.08598	27.3
97.02874	34.4
97.06545	20.8
98.06042	6.5
98.09708	13.2
99.04462	17.3
101.06058	5.1
102.47195	3.6
104.33928	3.6
105.07027	18.8
107.05005	5.7
107.08591	70.4
108.08881	3.0
109.02859	34.5
109.06506	80.1
109.10149	68.5
111.04424	4.9
111.08083	34.0
112.75087	3.6
113.09667	4.6
115.03941	4.5
119.04933	6.5
119.08556	19.1
121.01069	3.2
121.02862	13.3
121.10132	66.5
123.04382	4.0
123.08087	10.0
123.11692	37.7
125.06010	4.9
125.09614	12.1
125.13277	10.7
127.03919	52.4
127.07518	10.2
129.05501	8.4
131.08586	10.3
133.10107	43.6
134.33643	3.3
135.08026	17.7
135.11682	13.6
137.05960	5.5
137.09627	7.7
139.07518	4.6
139.11177	6.2
145.04979	14.4
145.10147	8.7
147.04376	22.9
147.06506	5.6
147.11691	9.1
149.09637	5.2
149.13249	72.6
151.07547	4.7
151.11160	18.1
153.09114	20.8
158.10927	6.3
161.13278	5.0
163.03870	8.6
163.07443	3.4
163.11139	5.4
163.14810	19.8
165.09076	4.6
167.07068	4.9
167.14311	81.6
169.04903	4.0
169.12230	8.6
171.10176	13.7
173.13240	28.4
181.12268	11.1
185.08034	4.3
187.05959	6.5
191.14304	64.9
205.07094	13.1
209.15370	85.7
210.15715	4.6
213.26695	3.5
218.11682	4.4
227.16388	10.4
233.15433	5.2
268.97879	9.1
275.16278	3.8
285.01074	10.1
303.01898	3.6
315.14508	5.0
320.14545	4.5
335.18491	6.0
353.19504	14.7
355.06973	12.2
356.06940	7.0
371.16458	7.1
371.20639	31.4
371.27570	6.6
371.31659	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	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03941	3.9
55.01872	6.5
55.05508	20.3
57.03431	6.1
57.07064	2.1
61.02929	6.7
65.03950	1.8
67.05515	6.7
67.87056	1.3
69.03435	27.7
69.07069	5.2
70.06596	2.3
71.04998	8.6
71.08609	1.7
71.14657	2.3
71.15002	2.1
72.08167	6.8
73.02930	4.5
77.59780	1.2
79.05493	10.0
81.03429	11.0
81.07054	15.8
83.01318	1.9
83.04981	30.0
83.08615	18.5
84.08137	1.5
85.02901	40.5
85.06528	6.8
86.09702	1.7
87.04465	5.0
87.11432	1.3
91.05421	8.3
93.07027	9.5
95.04967	89.0
95.08598	12.3
96.05296	1.9
97.02898	18.5
97.06516	6.6
97.10162	3.0
99.04459	18.8
99.08126	2.6
103.03946	5.1
103.05476	6.0
105.03379	1.5
105.07053	11.1
107.04969	8.8
107.08592	22.3
109.02895	5.1
109.06529	18.7
109.10152	14.8
111.04445	3.9
111.08063	6.8
113.09660	1.3
115.03878	2.1
115.05457	1.7
117.07027	2.5
119.04946	5.4
119.08583	6.2
120.08139	2.8
121.02869	2.0
121.06499	4.0
121.10159	14.8
123.04411	7.4
123.08105	6.9
123.11716	6.8
125.05999	5.7
125.09617	11.3
127.03896	10.8
129.06987	6.2
131.04921	8.3
131.08569	5.4
132.05702	4.2
133.06490	4.0
133.10117	13.9
135.08072	8.0
135.11728	2.6
137.05986	17.1
137.06938	2.0
137.09634	4.7
139.07587	2.1
139.11157	7.3
141.06967	1.7
143.08635	1.6
145.04962	6.6
145.06396	2.6
145.10109	2.6
147.04422	12.0
147.06525	1.3
147.08017	2.6
147.11725	4.0
149.05983	4.5
149.09631	6.1
149.13284	5.1
151.03894	3.2
151.07547	2.9
151.11183	29.6
152.11536	1.6
153.09100	28.9
156.05711	3.1
159.08105	4.1
160.05156	3.2
161.05956	6.4
161.09598	2.7
163.03955	2.9
163.07607	2.9
163.14848	2.0
165.05547	2.2
165.09102	1.8
165.12819	2.2
167.07040	48.9
167.14305	24.0
168.07414	2.3
169.12286	1.7
172.05130	1.9
173.13266	7.7
175.03947	2.4
175.07582	10.8
175.11153	2.8
177.05495	5.0
177.75621	1.4
179.07059	1.8
181.04915	1.4
181.12233	13.7
184.05203	1.6
185.08116	2.3
187.07541	15.0
189.09164	2.7
191.07022	7.4
191.10651	1.5
191.14273	17.9
192.07829	11.1
193.08513	3.1
197.05841	1.5
199.07570	4.1
201.09088	1.6
203.08615	2.8
206.07237	2.2
209.15363	100.0
210.15685	3.5
211.07629	1.9
215.08466	1.9
217.08652	10.2
218.07254	3.3
219.08084	1.9
221.09576	3.0
223.07544	1.5
231.08086	1.9
232.08769	2.2
233.09615	2.5
233.15355	3.2
234.06834	1.8
235.07582	3.7
239.06999	3.0
241.08672	2.0
242.05600	1.8
246.06740	1.4
247.07431	3.3
247.09619	3.1
248.08159	1.6
249.09053	5.8
251.16539	2.2
260.08444	2.3
261.09137	4.3
263.07071	2.8
263.16605	2.2
265.08664	1.8
271.05957	1.8
277.08585	3.9
278.09378	3.2
281.08307	1.3
281.11768	2.7
285.07596	5.6
289.08612	1.9
293.08270	1.5
293.11685	3.0
295.15591	1.7
300.09705	7.1
301.10583	3.9
306.08844	1.4
307.09732	3.7
309.11197	7.6
311.09195	2.9
321.07745	2.3
321.11258	6.0
325.10641	2.3
326.11627	2.8
335.18619	4.2
338.07590	2.7
339.12265	5.0
341.13754	7.3
353.10034	4.3
353.13876	12.5
353.18015	1.7
353.19638	1.6
354.14160	1.8
371.10806	10.8
371.15070	10.9
371.20688	8.6
372.11301	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1849
Annotation	Kanzonol R
Peak:m/z	Relative Intensity
55.05500	2.9
56.96560	1.5
57.07081	1.3
67.05495	2.7
69.07064	67.8
69.58949	1.2
70.06599	1.3
71.61956	1.4
71.62320	1.8
79.05505	2.8
81.07053	3.0
83.04956	1.7
83.08629	1.3
85.02915	1.8
88.39230	1.2
91.05445	2.6
93.07053	1.4
95.04937	2.5
95.08590	2.9
95.53082	1.1
97.06532	3.0
98.54915	1.0
101.05988	2.4
102.19984	1.0
105.03391	1.2
105.07025	4.1
107.08571	1.6
109.06499	2.7
109.10165	2.7
117.07023	1.9
119.04936	2.8
119.08597	2.3
119.46205	1.2
121.00474	2.5
121.10171	1.8
123.04423	4.8
125.05975	5.5
133.10123	2.7
135.11647	2.3
137.05968	53.1
138.03125	4.1
139.03964	2.1
143.01764	2.5
145.10117	3.4
147.04401	5.2
147.06506	3.5
149.02333	3.5
153.05453	100.0
154.05800	1.9
163.00473	1.4
163.07538	4.0
165.05481	1.5
166.06223	1.5
167.99734	2.9
175.07533	1.7
177.00238	9.4
177.05414	2.2
179.07018	2.7
190.01015	3.2
199.01564	4.9
204.17136	1.1
205.12231	25.6
206.12593	1.4
210.52283	1.9
212.02455	1.8
219.13814	1.2
221.02728	1.6
239.03928	2.9
293.55817	1.3
294.84988	1.6
295.03583	1.5
301.10599	2.2
303.12210	8.5
304.04303	1.3
308.04279	8.3
308.54559	3.2
315.07382	1.4
315.12225	2.7
317.04956	3.4
328.55704	1.5
348.06702	4.7
348.56876	1.4
359.57690	2.6
371.18668	2.3
371.25784	4.9
372.14191	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	371.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13359	0.3
55.05500	1.4
60.07623	0.3
63.02358	0.5
67.05505	0.3
69.03411	0.7
69.07077	0.4
69.69221	0.6
69.69635	1.9
70.06567	0.9
72.08147	3.0
73.04746	0.4
79.05457	0.8
79.28493	0.3
81.00890	0.3
81.03410	0.5
83.59853	0.3
84.08137	0.6
85.02884	1.3
86.09676	0.4
89.03888	1.7
89.06032	3.7
91.05415	0.5
91.05823	0.5
93.07018	0.4
94.81264	0.3
95.04977	0.5
97.02868	0.9
98.05997	0.3
98.21467	0.7
105.07013	0.7
107.08617	0.5
111.08079	0.3
117.03368	11.8
119.04910	0.4
119.08568	0.4
121.10143	0.5
124.03938	0.4
124.07493	0.4
127.03887	0.9
131.08572	0.4
133.08589	2.4
133.10045	0.4
134.03629	1.1
135.04410	1.3
135.11679	0.3
137.05972	0.9
145.02835	52.9
146.03157	1.1
147.04372	0.9
147.06514	0.3
149.05988	4.3
149.09544	0.3
156.87830	0.3
163.03917	1.2
167.07014	2.0
173.13235	0.4
175.07590	0.5
177.05460	100.0
178.05876	2.4
186.05479	1.1
189.09061	0.4
191.14268	0.6
207.06512	0.4
209.04474	0.7
209.15541	0.4
217.08542	0.5
225.88019	0.4
248.12811	66.5
249.13213	2.8
269.79007	0.3
285.00928	0.4
285.07584	0.4
300.09787	0.5
340.93567	0.3
353.13736	0.4
371.16034	25.8
372.16449	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	371.1485
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
53.03951	1.7
55.01874	3.7
55.05503	5.9
58.09401	1.9
62.63654	1.7
63.82230	1.9
65.03944	2.4
65.89723	1.9
67.05489	7.8
69.03426	6.7
69.07054	5.2
71.04996	4.8
71.62754	2.8
78.04708	1.8
79.05476	15.8
81.07050	14.6
83.04971	4.0
83.08640	2.8
84.08118	2.8
85.02898	6.4
85.06525	6.1
91.05466	14.8
93.07030	7.7
93.81157	1.9
94.04170	2.6
95.04968	10.1
95.08599	12.1
97.02868	3.8
97.06499	4.3
97.30847	1.9
99.04446	2.3
103.05447	5.9
105.07025	9.3
107.04953	26.1
107.08575	9.8
109.02868	5.8
109.06470	7.4
109.10155	7.4
111.04418	4.8
115.05483	3.8
116.06220	3.0
117.07029	3.1
119.04919	5.7
119.08571	6.5
121.06451	4.4
121.10126	12.0
122.03614	7.6
123.04438	17.1
123.08029	4.8
123.11720	4.1
124.05180	4.7
125.09608	3.3
127.03891	2.4
128.06213	8.2
129.07013	14.9
131.04936	6.8
131.08554	14.7
133.02762	2.3
133.06497	5.0
133.10115	8.1
135.04417	3.8
135.08069	4.2
135.11722	3.1
137.05965	100.0
137.09575	2.3
141.06963	3.9
144.05688	9.9
145.06459	6.3
145.10135	3.6
145.33896	1.9
147.04408	9.7
147.06493	2.9
147.11693	6.5
149.02415	2.2
149.05934	4.8
149.09569	2.6
151.03903	4.2
151.07538	6.9
151.11147	2.7
153.05420	2.9
156.05684	21.3
157.06497	6.1
159.08015	20.6
159.11647	2.8
160.05127	2.5
161.05957	5.9
161.09523	2.3
163.03874	4.7
163.07520	5.1
163.11221	2.7
163.99164	2.2
167.07037	73.9
172.05147	4.2
173.05939	4.4
173.13298	2.9
174.06752	6.6
175.03871	4.8
175.07545	21.4
177.05489	10.9
178.07738	3.7
179.03522	2.7
179.07079	4.1
179.08496	2.7
184.05200	2.3
187.07513	27.8
189.06943	3.3
189.09113	8.4
190.07738	3.1
191.07040	5.0
191.08685	3.5
191.10558	2.9
191.14265	11.2
193.08607	3.4
193.10196	4.6
195.06477	3.3
197.05980	4.1
198.06763	2.7
199.07507	3.6
201.09067	2.1
202.06194	7.5
202.07849	3.6
203.08540	8.1
205.06635	3.7
205.08572	5.0
206.07216	6.1
207.06499	5.7
207.08170	4.5
209.15414	6.6
211.07515	4.8
215.06987	6.1
215.08769	3.0
217.08585	72.7
218.07176	10.9
218.09042	3.2
219.07938	6.6
219.10175	5.4
221.09608	8.1
223.07591	2.6
224.04692	3.3
224.08302	3.0
226.06146	3.3
227.07137	3.3
229.08742	2.3
231.07964	10.2
232.08987	5.0
233.06035	3.0
233.09628	17.3
234.06699	12.2
235.07495	12.7
237.05357	4.2
238.09964	3.9
239.06978	20.9
240.07437	3.2
241.08615	13.7
242.05762	6.9
243.08264	2.4
245.09454	2.4
246.06720	4.5
247.07458	4.6
247.09665	27.8
248.08307	5.6
249.09090	20.8
250.06134	3.0
250.09801	4.2
251.06969	7.3
251.10725	3.6
252.07753	5.8
253.08350	3.7
257.08078	6.5
260.08344	4.8
261.09097	30.4
262.06235	3.7
262.09726	4.2
263.07001	11.0
263.10605	5.1
265.08679	4.8
266.09317	6.4
269.08029	8.6
271.06039	6.3
274.06116	2.5
275.10519	2.4
277.08597	19.7
278.09256	14.1
279.06577	4.3
279.10156	4.0
280.07233	4.8
281.07928	2.9
281.11688	10.3
285.07559	55.1
286.08105	6.8
289.08496	8.8
291.06702	3.0
291.10016	4.4
292.07401	2.3
292.10910	3.0
293.08389	3.6
293.11713	17.0
295.09644	6.3
298.08044	3.2
299.05530	16.3
300.09866	60.2
301.10632	24.2
306.08740	6.5
307.09601	8.8
308.06812	2.2
309.11154	26.2
310.11740	2.7
311.09073	4.7
313.10666	9.2
321.11169	35.2
322.11765	4.9
323.09061	10.8
325.07117	3.4
325.10663	6.1
326.11545	21.3
327.12137	3.6
335.25824	3.4
338.11407	8.0
339.12186	5.9
341.13766	22.2
353.10327	4.0
353.13824	61.7
354.14322	2.5
371.11014	10.1
371.14853	40.7
371.24365	3.3
372.15182	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1487
Annotation	4beta-Hydroxyobovatachromene
Peak:m/z	Relative Intensity
55.05493	1.8
57.07051	1.2
57.98481	1.4
65.03919	2.0
67.05484	3.2
69.07059	19.5
71.62027	1.8
79.05501	2.7
81.07047	4.2
83.05006	1.6
91.05470	3.5
93.07053	2.4
95.04948	3.5
95.08615	3.6
101.06019	1.6
103.86190	1.3
105.07015	2.6
107.04942	2.6
107.08563	1.6
109.06506	2.3
109.10166	2.1
111.04440	7.8
117.06982	1.5
119.04941	2.6
119.08522	1.4
121.06480	2.1
121.10115	1.9
123.04426	42.5
125.05978	1.6
129.06921	1.3
131.08572	1.4
133.06444	1.3
135.04446	6.3
137.02347	2.9
137.05978	4.2
139.03891	11.9
141.05461	2.8
143.08575	1.4
147.04382	4.0
147.06543	3.0
147.11713	1.6
149.02345	1.7
149.06018	7.0
153.05479	10.0
163.03900	13.5
163.07513	1.6
165.05545	6.1
175.03949	1.6
175.07465	1.2
177.05476	15.3
179.03397	3.6
187.03812	2.9
189.09119	1.6
193.04961	37.0
197.04404	2.7
197.06024	1.9
198.06766	2.6
199.07547	1.5
205.04918	6.5
211.07610	3.2
226.06241	2.0
227.06923	2.5
229.08684	1.2
233.11755	1.8
239.07010	2.4
254.05766	9.2
255.06400	2.0
261.11237	14.6
267.06290	2.3
269.08075	21.7
270.08505	1.9
279.06100	1.2
282.05203	2.4
285.07538	18.4
297.07541	84.5
298.07910	3.3
299.04810	1.3
303.08728	9.1
315.08597	17.9
316.08771	1.4
353.09778	2.0
353.13797	20.3
353.24924	1.6
371.14871	100.0
371.25580	4.1
372.14865	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01868	1.2
55.05497	2.0
67.05484	1.8
69.03416	1.6
69.07076	0.9
69.75636	1.2
69.76024	4.7
70.06577	1.2
71.04993	0.9
72.08153	1.7
78.04697	1.9
79.05485	9.2
81.03419	1.4
81.07049	3.1
83.04961	1.8
83.08614	0.8
84.08102	0.9
85.02876	2.1
85.06516	0.8
86.09678	1.2
91.05406	5.5
93.07037	1.8
95.04948	5.3
95.08591	2.3
97.02863	1.1
97.06504	1.3
98.20828	1.5
103.05464	2.7
104.06281	0.9
105.07021	9.8
106.04100	1.0
107.04948	12.5
107.08578	1.8
109.02837	0.9
109.06492	2.7
109.10159	2.1
111.08081	0.8
115.05453	3.5
117.01771	0.8
117.07012	2.7
118.04139	1.0
119.04912	1.3
119.08581	4.2
121.06490	1.8
121.10109	1.6
122.03642	1.2
123.04423	9.3
123.05212	1.1
123.08049	0.8
124.05169	4.0
125.05975	1.4
127.03899	1.3
128.06195	3.4
129.05496	1.1
129.07004	9.0
129.17778	0.7
131.04924	4.2
131.08548	2.0
132.05724	3.9
133.06480	5.5
133.10109	1.8
135.04419	2.1
137.05977	6.8
137.09579	0.9
141.07069	0.9
144.05772	1.6
145.06500	1.9
147.04398	3.3
147.08034	2.8
149.05937	1.8
149.09630	0.9
151.03835	3.5
151.07623	0.9
152.04707	1.8
152.06119	0.9
153.05447	3.9
155.04915	2.4
156.05676	3.1
157.06430	1.8
159.08040	7.8
160.05161	1.8
161.05957	9.3
161.09613	1.3
163.03871	0.8
163.07564	1.4
167.07028	100.0
168.07376	2.1
169.06378	0.9
172.05199	3.8
173.13268	1.1
175.07532	22.3
175.40756	0.7
176.07806	1.0
177.05479	2.9
177.09065	1.5
178.07742	2.0
179.03444	0.9
179.07065	1.2
179.08551	0.9
181.08644	1.0
184.05219	1.8
185.05881	1.5
187.05844	1.5
187.07532	31.0
188.07962	0.9
188.18874	0.7
189.06947	1.4
189.09113	2.5
190.07738	2.3
191.07011	6.4
191.08572	1.9
191.14259	2.2
192.07805	3.7
193.10181	1.1
195.08055	1.2
199.07523	7.7
201.09145	1.7
202.07755	2.5
203.06902	1.0
203.08536	4.4
204.09207	1.4
205.06479	1.8
205.10138	0.9
206.07239	3.8
207.06389	1.1
207.08086	1.5
209.08037	1.6
209.11461	0.8
209.15347	1.7
215.08609	1.3
217.08562	4.7
218.07152	3.9
219.08125	3.6
220.08882	1.0
221.09563	6.4
223.07607	1.1
231.08025	3.2
232.08794	2.2
233.05872	1.1
233.09531	2.8
234.06784	4.6
235.07510	3.4
236.08243	0.7
237.09055	1.3
239.07028	1.2
241.08557	1.6
245.06021	1.1
246.06735	2.4
247.07477	2.6
247.09738	1.2
248.08348	2.9
249.09097	8.7
250.09744	2.3
251.07062	3.7
252.07681	1.1
261.09094	4.0
262.06311	1.3
262.09775	1.2
263.07083	2.0
263.10928	0.8
265.08609	1.4
266.09311	2.3
267.10068	1.0
276.07861	1.6
277.08606	4.8
278.09256	3.1
279.06448	1.1
279.09998	1.0
281.08731	0.5
281.11716	14.6
282.12189	0.8
283.09644	1.2
285.07620	2.0
285.10959	0.9
289.08493	3.3
291.10089	1.0
293.08337	1.5
293.11661	3.1
294.08875	2.3
295.09595	1.9
297.11023	0.8
300.09949	2.0
301.10834	1.1
306.08884	1.6
307.09631	1.0
308.10327	0.8
309.11203	17.1
310.11826	2.4
311.09207	3.0
321.11157	8.5
325.10629	1.0
325.14383	1.0
326.11554	5.1
329.10394	1.2
335.22125	1.0
338.11411	1.0
339.12064	1.7
341.13815	23.8
353.10275	1.2
353.13831	8.6
371.11163	2.1
371.15240	5.3
372.10895	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01874	1.8
58.48308	0.9
69.03436	1.2
70.06586	1.2
70.27392	3.0
71.57327	0.8
72.08140	0.9
78.04711	2.5
79.05495	6.4
81.07045	1.2
86.55283	0.8
91.05466	4.9
95.04959	2.9
98.21414	0.9
100.11255	1.3
101.21942	0.8
103.05474	3.4
105.07022	7.3
106.04167	1.7
107.04955	12.0
115.05460	2.9
117.07007	2.3
118.04138	1.1
119.04903	1.6
119.08579	2.2
121.06504	1.5
123.04403	7.4
124.05225	3.1
124.65046	0.8
125.05972	1.2
128.06210	3.3
129.06993	9.6
131.04901	7.1
131.08559	1.5
132.05731	6.3
133.06509	4.9
134.03592	1.1
135.08128	1.0
137.05984	2.0
140.04691	1.1
144.05710	2.5
145.06503	2.1
146.61563	1.0
147.04419	1.5
147.08044	3.9
148.05176	0.9
149.05959	2.3
151.03889	2.6
152.04723	2.8
153.05405	1.1
155.04860	1.5
155.07097	1.3
156.05695	1.7
157.06496	1.3
159.04280	1.0
159.08075	7.7
160.05196	3.6
161.05971	11.6
163.04041	0.9
163.07498	1.3
167.07034	100.0
168.07318	1.9
171.08128	1.4
172.05186	2.8
174.40225	0.9
175.07547	23.7
177.05479	3.9
178.07803	2.5
179.07059	1.8
180.07626	1.1
181.06479	1.0
181.08650	1.0
184.05229	1.6
185.05975	1.0
187.07533	27.5
187.09140	1.8
189.07025	1.7
189.09109	1.8
190.07820	2.8
191.07013	11.9
191.08560	1.6
192.07773	9.2
193.08432	2.0
199.07538	7.8
202.07816	3.2
203.08589	4.2
206.07332	2.2
207.08101	1.4
209.08084	1.2
215.08630	1.9
217.06525	1.4
217.08641	2.6
218.07288	3.4
219.08029	3.9
220.08797	1.4
221.09525	4.6
231.08093	2.7
232.08704	1.5
233.09660	3.5
234.06807	3.5
235.07527	2.5
246.06828	2.1
247.07655	1.9
248.08395	1.2
249.09055	6.8
251.07150	2.7
259.07684	0.9
260.08356	1.3
261.09073	5.4
262.06439	0.8
263.07013	2.5
265.08649	1.7
277.08554	3.9
278.09341	1.3
279.06659	1.9
279.10184	1.5
281.11700	9.6
289.08469	4.2
290.09241	1.4
291.10043	1.7
293.11810	1.9
294.08890	1.8
295.09647	1.2
306.08942	1.2
307.09686	3.0
309.11209	16.5
310.11841	1.3
311.09412	1.7
321.11215	8.0
322.12039	2.3
326.11636	3.2
339.12247	2.0
341.13815	23.7
353.13821	6.8
371.14764	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	371.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01843	4.1
55.05497	9.5
57.03421	2.1
57.07058	4.4
59.64397	2.0
65.17293	2.2
65.56079	2.3
67.05483	5.7
69.03414	11.4
69.07052	5.6
70.06573	8.9
70.16673	4.0
70.17028	10.5
71.04972	7.4
72.08132	11.5
73.02895	2.2
79.05488	16.6
81.03414	5.5
81.07063	12.1
83.04976	10.9
83.08597	9.0
84.08117	6.6
85.02892	15.9
85.06517	2.3
86.09692	5.8
86.99551	2.4
91.05386	13.8
93.07034	8.0
94.04169	4.6
95.04965	16.0
95.08585	8.6
97.02876	5.2
97.06504	5.2
99.04427	5.6
101.05988	5.5
103.05423	3.3
105.07047	12.5
106.51829	2.0
107.04948	21.4
107.08588	10.5
109.02859	5.2
109.06490	11.0
109.10138	9.7
110.02370	2.4
111.04432	3.9
111.08060	3.6
112.07600	2.4
115.05385	2.9
116.06219	3.0
116.06995	2.2
119.04884	3.4
119.08547	4.8
121.06476	5.7
121.10134	8.9
122.03624	8.1
123.04416	5.3
123.08110	3.8
123.11655	4.0
124.05161	2.8
125.05978	8.0
127.03884	7.1
128.06213	4.7
129.05498	4.1
129.06985	13.7
131.04901	4.7
131.08549	9.8
133.06451	3.6
133.10086	9.6
135.04424	2.9
135.08081	3.9
137.02296	2.8
137.05962	100.0
139.07483	3.5
139.11143	2.7
140.06987	2.2
141.06934	6.3
144.05692	9.1
145.02895	2.4
145.06496	5.5
147.04402	14.8
147.06467	3.5
147.08049	3.2
149.05952	4.8
149.09589	5.8
149.13217	7.8
151.03920	4.6
151.07513	8.3
151.11165	5.2
152.04697	3.2
152.08119	2.1
153.05539	2.8
156.05684	25.8
157.06415	6.6
158.07283	4.9
159.08058	19.5
160.05258	3.3
161.05943	7.9
163.03867	4.9
163.07462	2.7
167.05605	4.9
167.07027	68.8
167.08371	2.5
167.14333	8.8
169.06345	3.9
172.05180	5.5
173.05923	3.9
173.13232	3.4
174.06758	6.2
175.07516	18.4
175.11227	2.2
177.05440	9.3
178.07780	3.0
179.08417	2.6
181.06366	2.6
181.12126	3.1
186.06682	4.3
187.07512	29.2
189.07056	2.6
189.09077	10.7
190.07790	6.7
191.06990	2.8
191.08521	2.6
191.14279	8.1
193.08463	3.6
195.06526	2.6
199.07567	6.8
201.09131	2.4
202.06187	4.5
202.07880	2.2
203.08519	9.6
205.06490	5.0
205.08478	4.9
206.07233	6.9
207.08055	7.1
209.07985	2.3
209.15332	16.1
211.07475	5.3
215.06819	4.6
215.08638	5.9
217.06624	3.4
217.08574	70.2
218.07253	11.8
218.11774	2.2
219.08020	8.5
219.10141	6.3
220.08780	2.7
221.09550	7.4
223.07381	2.7
224.04633	4.5
226.06313	3.8
227.06985	4.2
229.08563	4.9
231.07990	9.1
232.08876	4.7
233.09642	16.1
234.06689	12.1
235.07484	12.6
236.08017	3.1
237.05353	3.7
237.09070	2.7
239.06984	22.4
241.08681	17.7
242.05713	6.1
243.06242	2.7
246.06718	6.3
247.07430	7.5
247.09647	26.5
248.08334	4.6
249.09065	26.2
250.09702	5.2
251.06953	7.7
251.10583	2.5
252.07773	8.7
256.03671	2.9
256.07266	2.9
257.08014	4.9
260.08255	5.0
261.09100	29.6
262.06418	4.0
262.09564	4.9
263.06885	12.8
263.10736	4.2
264.07651	4.0
265.08615	5.1
266.09299	4.5
267.10101	3.9
269.08057	6.2
270.08911	3.2
271.05997	8.7
274.06339	2.8
275.06912	3.2
275.10522	3.8
276.07578	2.5
277.08569	19.4
278.06339	2.8
278.09341	14.8
279.06516	5.2
279.10083	5.0
280.07300	3.5
281.08554	3.2
281.11768	11.1
283.09653	5.1
285.00888	3.7
285.07541	66.0
286.08173	4.5
289.08548	11.0
291.06668	2.8
291.10135	6.1
292.07504	2.4
292.10797	3.9
293.08228	5.5
293.11642	21.1
294.08871	6.1
295.09451	4.3
298.08350	2.8
299.08652	2.2
300.09882	73.5
301.10596	17.8
306.08755	6.1
307.09543	6.7
308.06824	3.0
309.11148	27.5
311.09244	4.9
313.10657	12.4
321.11169	43.0
322.11758	7.2
323.09015	8.8
326.11386	19.3
327.12344	3.8
330.19629	2.8
338.11407	9.5
339.12317	6.9
341.13861	19.6
353.06918	3.1
353.13855	73.4
353.18460	4.3
371.15039	37.2
371.20499	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01849	1.9
55.05515	3.4
55.05743	0.7
57.07059	1.2
59.04984	1.0
65.03949	1.0
67.05492	5.9
69.03410	2.3
69.07055	4.4
71.02618	0.8
71.02969	1.7
71.04973	1.2
71.14612	0.7
71.26768	0.6
72.08138	2.2
72.22008	0.6
78.04691	2.1
79.05484	11.3
81.03407	2.0
81.07047	14.7
83.04964	2.7
83.08595	1.7
85.02888	1.1
85.06538	4.6
89.03967	0.8
91.05444	6.0
93.07042	7.1
94.04157	1.3
95.04967	4.9
95.08595	11.1
97.02903	1.2
97.06519	3.7
97.10137	0.9
98.06834	1.4
99.04455	0.9
101.06009	1.6
103.05478	3.9
105.07015	11.9
106.04131	1.1
107.04942	17.6
107.08572	6.4
109.02853	1.6
109.06502	2.3
109.10136	7.2
111.04404	1.7
111.08054	1.4
113.06011	0.9
115.05442	5.1
116.06219	1.0
117.06998	2.8
118.04159	1.3
119.04946	2.7
119.08574	5.4
121.06487	3.6
121.10133	5.4
122.03612	1.2
123.04413	10.2
123.11687	4.5
124.05237	4.9
125.05980	2.3
125.28793	0.7
127.03897	1.2
128.06194	3.2
129.07005	8.8
130.04121	1.1
131.04939	6.5
131.08553	2.9
132.05730	3.1
133.06479	6.4
133.10094	2.6
134.03586	1.1
135.04387	1.7
135.11687	3.6
137.05954	10.0
137.13211	1.5
138.03136	0.8
139.07529	1.2
141.06979	1.4
144.05679	2.8
145.06467	2.8
145.10083	2.2
147.04369	5.2
147.08003	4.2
147.11685	2.8
148.07487	0.7
149.05992	3.6
149.13232	2.4
151.03922	3.3
151.07504	2.1
151.11101	1.2
152.04649	3.1
153.05467	4.8
155.04932	1.5
155.07063	1.2
156.05724	3.0
157.06540	1.8
159.04431	1.4
159.08043	8.6
159.11649	2.2
160.05161	2.7
161.05959	13.2
161.09575	1.3
161.13235	1.2
163.03947	1.3
163.07504	1.6
163.14760	1.0
165.05414	1.0
165.06941	1.3
165.09137	1.3
165.12756	0.9
167.07027	100.0
168.07355	2.1
169.06422	1.2
172.05209	4.3
173.06024	1.2
173.09619	1.4
173.13110	0.9
174.06689	0.7
175.04016	0.7
175.07544	24.9
175.14703	0.8
176.04614	1.1
177.05484	4.9
177.09229	1.1
178.07791	2.0
179.06989	1.8
179.08484	1.0
181.04999	0.8
181.06421	1.1
181.08632	1.3
181.12114	0.7
184.05142	1.5
187.07530	26.9
188.07869	1.0
189.06987	1.3
189.09085	3.3
190.07742	2.9
191.07028	6.5
191.08574	1.6
191.10614	0.7
191.14302	1.4
192.07767	2.4
193.08604	2.5
193.10162	0.9
193.12297	0.8
195.08049	0.7
199.07518	9.5
201.09125	3.2
202.07799	2.8
203.08534	4.4
204.09303	1.2
205.06499	1.5
205.08475	0.9
206.07281	3.3
207.06369	1.1
207.08055	2.1
207.09984	0.8
209.07977	2.2
209.15225	1.4
215.08583	3.1
217.06578	1.6
217.08525	6.9
218.07259	4.3
219.08107	3.5
220.08730	1.1
221.09625	4.6
223.07492	1.5
231.08003	3.4
232.08826	1.6
233.09576	5.3
234.06772	4.5
235.07607	4.5
236.08247	1.1
237.09158	0.9
238.09804	0.9
239.06966	1.4
241.08588	2.3
243.08003	1.3
246.06787	2.4
247.07504	2.4
247.09758	1.2
248.08350	2.2
249.09116	7.3
250.06445	0.9
250.09732	2.0
251.07088	3.2
251.10721	1.3
253.08586	0.8
259.07501	1.4
260.08286	2.2
261.09082	7.7
262.06128	1.0
262.09644	0.8
263.07047	4.3
263.09952	0.6
264.07773	1.2
265.08615	2.3
266.09375	2.7
269.08035	0.7
274.06104	1.1
275.06931	1.3
275.10358	0.8
276.07819	0.8
277.08603	5.2
278.09250	3.5
279.06534	0.7
279.09946	1.6
280.07233	0.9
281.11710	9.5
283.05966	1.0
283.09424	1.0
285.07571	2.9
285.10638	0.8
288.07831	0.9
289.08536	5.0
289.25247	1.2
290.10904	2.7
291.06464	1.0
291.10028	1.3
292.10587	0.9
293.08273	1.7
293.11746	3.9
294.08777	2.1
295.06192	1.5
295.09467	1.6
298.04736	2.9
299.05450	1.0
300.09827	3.6
301.10703	1.8
306.08823	2.9
307.09470	3.8
308.11966	0.8
309.11133	12.5
310.11984	1.8
311.09042	1.5
311.12540	1.2
313.07104	7.2
313.10571	1.4
314.07611	0.8
317.24698	2.6
318.10663	0.9
321.11188	10.0
322.11948	2.5
325.07043	1.6
325.10715	1.7
325.14462	2.0
326.11316	4.0
335.25784	4.5
336.11520	1.9
338.11557	1.7
339.12134	4.2
341.09845	1.5
341.13776	16.9
353.10098	3.6
353.13840	12.0
353.26636	2.6
371.11026	6.8
371.15100	5.9
371.27701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1122
Annotation	Dihydroisoderrondiol
Peak:m/z	Relative Intensity
55.01864	2.3
55.05491	1.4
57.03425	0.4
57.07053	0.6
59.05003	0.8
61.60859	0.4
62.06093	0.4
67.05508	3.7
68.99772	2.8
69.03413	2.5
69.07056	3.0
69.64314	1.6
69.64744	1.3
71.04961	0.5
71.08627	0.5
72.45875	0.4
79.01852	0.4
79.05473	2.7
81.03380	1.3
81.07045	5.6
83.04971	1.0
83.08595	0.8
85.06525	1.8
85.55386	0.4
91.05446	3.8
93.07036	3.2
95.04961	2.5
95.08588	4.3
97.02853	0.9
97.06518	1.6
97.10151	0.6
99.04427	0.6
101.05994	0.6
103.05439	1.2
105.03407	0.7
105.07012	3.4
107.04955	3.1
107.08566	3.2
109.02876	1.1
109.06488	1.9
109.10139	2.9
111.04435	0.6
111.08095	0.5
115.05432	0.8
117.07021	1.5
119.04942	1.3
119.08571	2.0
121.02838	0.7
121.06472	1.2
121.10130	1.4
123.04414	25.2
123.11697	1.5
125.05982	0.7
125.09572	0.5
127.03835	0.8
127.07574	0.6
128.06256	0.4
128.64069	0.4
129.05470	0.7
129.06981	1.6
131.04886	0.8
131.08546	1.4
133.06474	2.6
133.10106	1.8
134.03575	0.7
135.04390	1.6
135.08049	0.9
135.11633	1.2
137.02296	1.1
137.05949	5.0
139.03885	1.0
139.11148	0.6
141.01837	4.0
141.06979	0.5
143.08566	0.7
144.09293	0.5
145.06433	1.3
145.10110	1.8
147.04353	3.6
147.06439	0.7
147.08055	1.5
147.11656	1.4
149.02367	0.5
149.05969	12.1
149.09605	0.9
149.13257	1.0
151.03925	0.7
151.07523	1.0
151.11168	0.7
153.05450	1.5
155.03400	1.0
156.05679	0.6
157.06482	0.6
157.10110	1.0
159.08028	1.7
159.11673	0.9
160.05186	0.6
161.02315	1.6
161.05972	9.7
161.09540	0.5
163.03870	1.0
163.07527	2.6
163.11139	0.8
165.01814	16.5
165.05498	2.5
165.09021	0.5
166.02176	0.4
167.03378	0.6
167.07025	13.9
171.08067	0.5
171.11655	0.7
172.05273	0.5
173.05981	0.9
173.09631	0.9
173.13251	0.9
175.03891	0.8
175.07530	4.7
175.14813	0.5
176.04359	0.5
177.01917	0.8
177.05452	1.2
179.03357	1.3
179.07027	1.8
179.08435	0.6
181.10060	0.5
183.02875	20.2
185.03387	0.4
185.13309	0.6
187.07523	3.2
187.14795	0.4
189.07094	0.4
189.09138	1.0
189.12930	0.5
191.03304	0.8
191.07019	2.1
191.10646	10.4
193.08578	1.7
195.02879	0.6
197.05974	0.9
199.07547	0.8
201.05489	1.4
201.09138	0.6
203.08681	0.4
203.10628	0.9
205.08647	0.9
207.06483	0.8
209.07184	0.7
213.05405	0.5
215.07040	0.7
217.08676	1.9
219.06479	3.9
219.08495	0.5
219.10001	2.3
221.06143	0.4
221.09644	0.9
223.07556	0.5
227.06943	0.5
229.04906	0.8
231.10109	0.8
235.09676	0.8
237.05406	0.5
237.07468	0.6
239.06760	0.6
241.04875	1.0
241.08519	0.5
243.06525	0.5
247.07518	0.7
249.09114	1.0
251.07086	0.7
252.07780	0.5
253.04912	1.4
255.06482	0.6
261.09039	0.7
265.08563	0.5
271.05972	1.4
277.08365	0.9
278.09457	0.5
279.10129	0.5
281.04462	9.5
281.11649	0.8
282.04828	0.6
283.05978	1.3
283.09579	1.3
285.07626	0.9
287.05518	0.5
293.08246	0.4
293.11670	0.8
295.06171	0.4
295.09644	0.6
297.07980	0.5
297.11203	1.6
299.05472	23.1
300.09793	0.7
301.10687	1.3
307.09897	0.6
309.11182	1.1
310.04669	0.6
311.05460	4.5
311.08997	1.0
313.07028	0.8
313.10406	0.5
315.12216	10.8
321.11136	1.7
322.11887	0.4
325.06982	2.5
325.10684	1.1
326.11255	0.5
335.09100	1.6
335.25787	1.2
339.12088	1.0
341.13809	1.6
353.05930	0.8
353.10092	11.6
353.13870	5.4
353.17422	1.9
354.10455	0.6
371.11194	100.0
372.11447	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	371.1121
Annotation	2,3-Dehydrokievitol
Peak:m/z	Relative Intensity
55.01705	0.5
55.01971	0.4
55.05383	0.3
55.05612	0.5
58.98029	0.2
65.03754	0.3
65.04053	0.5
67.05260	0.4
67.05644	1.2
68.99532	0.4
68.99934	1.0
69.03219	0.3
69.03545	0.5
69.07211	0.7
70.91417	0.2
71.05100	0.3
71.63508	0.5
71.63872	0.3
73.67075	0.2
79.05160	0.5
79.05651	1.4
81.03544	0.4
81.06679	0.8
81.07215	3.1
83.05116	0.6
83.08712	0.4
88.82467	0.2
91.05653	0.9
92.98695	0.2
92.99874	0.2
93.03497	0.2
93.07214	1.3
95.04558	0.4
95.05116	0.6
95.08781	1.4
97.06665	0.5
97.10347	0.2
101.06097	0.3
103.05618	0.3
105.02916	0.3
105.03575	0.6
105.06462	0.4
105.07218	1.6
107.04363	0.3
107.05135	2.2
107.08788	0.9
109.02992	0.4
109.06711	2.0
109.10342	0.7
111.04592	0.4
111.08208	0.3
115.05630	0.5
117.07246	0.7
119.05068	0.5
119.08735	0.7
121.03053	1.0
121.06670	0.7
121.10310	0.5
123.03668	0.3
123.04621	3.0
123.08287	1.0
123.11792	0.3
125.06213	0.3
128.06398	0.4
129.05647	0.3
129.07207	0.7
130.22021	0.2
131.05093	0.4
131.08722	0.5
133.06665	0.4
133.10245	0.5
134.03804	0.6
135.03688	0.3
135.04608	1.0
135.08234	0.5
135.11765	0.4
137.02542	0.9
137.06180	1.3
137.09737	0.3
139.04063	0.3
140.30484	0.2
141.02034	1.4
141.07242	0.3
144.05832	0.2
145.06700	1.4
145.10283	0.6
147.04614	1.5
147.06685	0.2
147.11797	0.4
148.05341	0.5
149.02533	1.6
149.06177	1.4
149.09781	0.3
149.13460	0.3
151.04039	0.4
151.07745	0.8
153.01953	0.4
153.05658	1.0
157.06674	0.5
159.04523	0.3
159.08243	0.7
159.11812	0.4
161.02327	2.9
161.06133	0.5
161.13332	0.2
162.03210	0.4
163.04099	1.0
163.07750	0.7
164.07950	0.2
165.01814	5.5
165.09267	0.4
167.03630	1.8
167.07031	2.9
173.06163	1.0
173.13716	0.2
175.07765	1.0
175.70036	0.2
176.04834	0.9
177.01817	2.8
177.05457	1.3
179.03580	0.7
181.05078	0.4
181.10136	0.3
181.87897	0.2
183.02873	6.5
185.06079	0.5
187.03996	0.4
187.07542	1.4
189.02045	0.8
189.05544	0.2
189.09203	0.4
190.02501	1.4
191.03395	2.1
191.06996	2.0
191.08731	0.3
193.08759	0.3
194.02318	0.2
195.03038	0.5
195.06654	0.5
195.08240	0.3
197.06158	0.3
199.07678	0.4
200.04826	0.4
201.05447	1.5
203.03639	0.6
204.04131	2.2
205.08771	0.3
207.03099	0.3
207.06619	0.5
208.03632	1.7
208.09157	0.3
209.09891	0.5
213.05638	0.8
217.05144	0.4
217.08495	1.1
219.06490	10.8
221.04614	0.3
221.09628	0.3
222.05145	1.1
225.05733	0.4
227.03493	0.4
227.07118	0.6
229.04951	1.3
233.09824	0.3
235.07726	0.3
236.08473	0.3
237.05589	0.4
237.07657	0.8
237.09552	0.4
237.11342	0.3
239.06966	0.3
240.07956	0.3
241.04839	1.7
241.08725	0.6
249.09184	0.3
251.07181	0.5
252.38733	0.2
253.05147	0.5
254.05887	0.4
255.06520	1.4
255.10121	1.7
257.04813	0.3
261.09317	0.8
263.07043	0.5
265.05084	0.6
265.08701	1.6
267.06668	0.7
268.07407	0.8
269.04803	0.4
269.08286	1.0
271.05902	0.3
277.04965	0.3
277.08603	0.4
279.06888	0.5
279.10233	1.1
281.04428	3.7
281.07477	0.3
281.11734	0.5
283.06152	1.7
283.09741	5.1
285.07562	0.5
287.05429	0.4
289.08618	0.6
292.07434	0.7
293.04666	0.5
293.08200	0.6
295.06119	0.6
297.07629	1.4
297.11246	0.9
299.05484	12.5
300.05621	0.4
300.10046	0.4
305.04889	0.5
306.05392	0.4
307.06238	0.3
307.09668	1.0
308.06717	0.4
309.07446	0.4
309.11105	0.6
311.05502	3.2
311.09198	1.6
313.07166	0.3
317.08051	0.9
319.05911	0.7
320.06805	1.3
321.11282	0.7
323.05643	0.3
323.09146	0.6
324.06372	0.5
325.07053	3.5
325.10770	1.1
326.11365	0.4
335.09125	4.6
335.25681	0.5
337.07074	0.5
338.07861	1.3
339.08420	0.4
341.13837	0.7
353.10141	100.0
354.10532	5.2
356.08786	0.9
371.11154	12.7
371.25549	0.5
372.11398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1123
Annotation	Chaetoxanthone A
Peak:m/z	Relative Intensity
55.01912	0.9
55.05550	0.8
57.03455	0.3
65.03965	0.6
67.05499	1.7
68.99785	1.7
69.03465	0.5
69.07113	0.9
71.05035	0.3
71.62469	0.5
77.30122	0.2
79.05506	1.7
81.03462	0.7
81.07054	3.5
83.05012	0.6
84.53015	0.3
85.06581	0.4
91.05526	1.2
93.03446	0.3
93.07099	1.1
95.04999	0.6
95.08600	1.9
97.02921	0.4
102.15385	0.2
103.05531	0.4
105.03454	0.7
105.07028	1.9
107.04952	2.4
107.08644	1.1
109.02930	0.5
109.06509	2.0
109.10204	1.0
111.04461	0.5
115.05473	0.6
117.07071	0.8
118.85163	0.3
119.04978	0.7
119.08643	0.9
121.02922	0.7
121.06522	0.6
121.10236	0.7
123.04427	2.0
123.08150	0.8
125.06046	0.3
127.03964	0.4
128.06268	0.5
129.07068	1.0
131.04941	0.4
131.08638	0.8
132.05774	0.4
133.02902	0.3
133.06538	0.7
133.10201	0.5
134.03703	0.8
135.04414	1.2
135.08096	0.5
135.11725	0.5
137.02417	0.8
137.05937	1.7
137.09726	0.3
139.00363	0.3
141.01846	1.2
141.07076	0.3
145.06496	1.4
145.10229	0.5
147.04408	1.4
147.06627	0.5
147.08060	0.4
147.11749	0.4
148.05235	0.6
149.02344	1.5
149.06024	1.3
149.09694	0.4
149.13385	0.4
151.03963	0.4
151.07634	0.6
153.01828	0.3
153.05562	0.7
156.05659	0.3
157.06580	0.5
159.04440	0.4
159.08002	0.5
159.11794	0.4
160.05432	0.2
161.02333	2.5
161.06056	0.9
161.09636	0.3
161.13374	0.3
163.03967	1.0
163.07573	0.9
163.14861	0.3
165.01819	5.9
165.05527	0.3
165.09172	0.6
167.03424	1.9
167.07025	4.3
167.08362	0.3
173.06082	0.9
173.13324	0.3
175.03952	0.7
175.07631	1.1
176.04738	0.8
177.01834	3.6
177.05525	2.0
179.03476	0.7
183.02881	6.0
183.04463	0.3
185.05984	0.4
185.13298	0.4
187.04004	0.3
187.07501	1.3
189.01898	0.4
189.09224	0.3
190.02684	1.2
191.03372	2.7
191.07045	1.7
191.14348	0.2
194.02087	0.3
195.02925	0.3
195.06552	0.6
197.06070	0.4
199.07576	0.5
201.05481	2.0
203.03525	0.7
204.04204	1.9
205.05000	0.6
208.03729	1.6
209.04474	0.3
209.09720	0.5
213.05434	1.2
213.09090	0.3
215.06979	0.3
217.04985	0.4
217.08635	0.9
218.07216	0.5
219.06494	9.5
221.09647	0.4
222.05170	1.8
223.07550	0.3
225.05609	0.3
227.07115	0.5
229.05013	1.1
233.09654	0.5
234.06821	0.3
236.08250	0.3
237.05382	0.6
237.07672	0.9
237.09488	0.5
240.07732	0.3
241.04897	2.0
241.08641	0.7
242.05797	0.3
249.09180	0.4
251.10675	0.5
253.05022	0.7
253.08755	0.6
254.09497	0.3
255.06523	1.1
255.10216	1.7
261.09207	0.5
263.07205	0.5
264.07785	0.3
265.04980	0.5
265.08636	1.5
267.06519	0.4
268.07349	0.6
269.05362	0.4
269.08142	1.8
269.11676	0.3
274.06223	0.3
277.08594	0.4
279.06650	0.6
279.10257	0.8
280.07220	0.4
281.04456	3.2
281.07761	0.5
281.11523	0.4
283.06073	1.4
283.09677	4.0
285.07568	0.4
287.05435	0.4
289.08594	0.4
293.04706	0.3
293.08136	1.1
293.11386	0.3
295.06027	0.5
297.07581	3.2
297.11218	1.3
299.05505	11.7
299.08871	0.5
300.05807	0.3
300.10040	0.6
305.04547	0.4
306.05145	0.4
307.06116	1.1
307.09674	1.0
308.06699	2.2
309.07669	0.6
309.11359	0.7
311.05484	3.2
311.09140	2.0
313.06961	0.4
315.07809	0.5
317.08072	1.1
317.24878	0.4
319.06006	0.8
320.06729	1.5
321.07547	0.4
321.11273	0.7
323.05396	0.6
323.09131	0.8
324.06451	0.6
325.07117	9.0
325.10739	1.3
326.07422	0.7
335.09128	3.9
335.25836	0.4
337.07111	0.7
338.07730	1.9
339.08585	0.6
339.12262	0.4
340.09390	0.5
341.14066	0.7
353.10168	100.0
354.10519	3.9
356.08862	3.1
371.11209	36.0
372.11539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	Oxidihydroartocarpesin
Peak:m/z	Relative Intensity
53.03931	0.8
55.01858	1.1
55.05491	2.6
57.03416	0.9
57.07053	1.1
59.04997	19.4
67.05493	5.4
67.33261	0.5
68.99789	1.0
69.03422	1.9
69.07061	4.9
71.01662	1.2
71.04980	0.7
72.24121	0.6
76.53226	0.5
77.03936	0.5
79.05489	3.5
81.03395	1.2
81.07053	9.7
83.04951	1.7
83.08598	1.2
85.02901	2.2
85.06519	3.2
91.05437	4.3
93.07037	4.8
95.04965	3.4
95.08605	5.7
97.02880	1.0
97.06532	1.1
97.10155	0.5
99.08080	0.6
103.05421	0.8
103.99649	0.4
105.07033	5.0
107.04932	4.7
107.08594	4.7
109.02857	1.1
109.06492	1.6
109.10149	5.3
111.04417	0.8
111.08081	1.1
111.11762	0.5
115.05443	1.2
115.07571	0.6
117.06994	0.8
119.04949	2.6
119.08564	3.0
121.02868	1.2
121.06480	1.2
121.10135	3.4
122.03618	0.7
123.04415	9.1
123.08007	0.6
123.11697	2.7
125.05917	0.9
125.09593	0.8
127.03901	1.1
128.06206	1.4
129.05460	0.9
129.07007	2.5
131.04895	1.2
131.08571	2.8
133.02773	0.8
133.06467	1.2
133.10110	2.7
135.04424	1.2
135.08069	1.1
135.11685	2.9
137.05965	9.2
137.13251	1.7
141.06976	1.1
141.29155	0.5
144.05753	0.7
145.02832	0.9
145.05008	0.5
145.06529	1.3
145.10092	1.7
147.04414	2.6
147.06531	0.5
147.08040	1.1
147.11662	1.5
149.02332	0.9
149.05992	4.6
149.09607	1.4
149.13229	1.6
151.03915	1.3
151.07530	1.2
151.11195	1.1
152.04634	0.6
153.05457	3.9
153.12727	0.5
156.05682	1.5
157.06490	1.8
157.10095	0.7
159.08058	1.9
159.11612	0.8
161.02342	0.7
161.05969	2.4
161.13252	1.0
163.03903	1.0
163.07539	2.1
163.14755	0.8
165.01808	1.0
165.05531	1.1
165.06978	1.4
165.09184	1.0
165.12727	1.5
167.07040	16.3
167.08463	0.6
171.13774	0.8
172.05141	0.8
173.02330	2.0
173.05888	0.6
174.06728	0.7
175.03856	1.1
175.07506	2.9
177.01804	4.6
177.05508	1.5
179.03348	1.6
179.07069	0.9
183.02898	0.9
183.07996	1.7
185.05960	0.9
185.13203	0.5
187.07507	4.6
189.01819	0.7
189.09093	1.8
191.03418	0.7
191.07007	1.3
191.09006	0.8
191.10600	4.3
191.14265	2.4
193.06485	1.2
193.08530	0.7
199.07506	1.4
201.16365	0.8
203.08557	0.8
205.06543	0.7
205.08571	2.2
206.07263	1.0
207.06505	1.5
209.07054	0.8
211.07512	2.0
215.06836	0.7
215.08652	1.0
217.08588	6.1
218.07234	1.2
221.05948	1.2
221.09703	1.2
231.06335	0.6
233.09576	1.9
235.80020	0.5
239.07002	5.7
241.08673	1.4
243.06282	0.7
246.06819	0.7
247.07375	0.9
247.09692	1.4
249.05466	1.6
249.09169	2.9
250.06172	0.5
251.06999	1.0
251.10623	0.6
259.38089	0.5
260.08554	0.8
261.09109	2.8
263.06915	1.5
263.10764	0.8
264.07861	0.6
267.06522	7.1
269.08136	1.0
271.05997	0.8
277.05020	1.6
277.08563	1.8
278.06329	0.6
278.09296	2.2
279.10272	0.8
281.08276	0.6
281.11737	2.1
283.06030	6.3
284.06522	0.6
285.04895	0.5
285.07581	3.6
285.10892	0.9
289.08527	1.4
289.25195	0.6
293.08267	0.8
293.11703	1.8
295.05994	100.0
296.06366	3.9
297.07397	0.8
299.05469	5.7
300.09830	4.3
301.07446	0.6
301.10706	1.7
303.10263	0.7
305.08020	0.5
306.08643	0.8
307.09567	2.1
308.10471	0.7
308.46329	0.5
309.07828	1.0
309.11212	3.4
311.09085	1.9
313.07285	0.8
313.10645	1.1
315.12125	1.4
317.24744	2.0
321.11160	4.4
322.11890	0.8
323.09167	0.7
325.10590	0.7
326.11420	2.2
335.09061	2.9
335.25870	4.5
336.11584	2.0
338.11523	1.2
339.12219	1.6
341.13831	3.2
353.10117	8.9
353.13873	6.4
353.26877	1.3
363.12607	0.6
371.11148	16.2
371.15048	4.8
371.20010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.095
Annotation	Chaetoquadrin D
Peak:m/z	Relative Intensity
59.04982	1.2
67.05482	0.7
69.07053	0.5
71.62373	0.5
77.92152	0.6
81.07034	0.9
87.04458	1.5
88.97106	0.4
93.07018	0.9
95.04929	0.6
95.08588	1.2
107.08556	0.7
109.10140	0.5
116.27193	0.4
116.98659	0.5
127.07499	0.5
133.10191	0.5
147.04427	0.5
149.09709	0.4
152.56679	0.4
154.05637	0.4
157.06329	1.1
172.50101	0.4
175.07550	0.5
185.05869	2.0
189.05334	0.9
203.52759	0.4
217.04817	4.0
230.03679	1.2
240.02118	1.4
250.07347	0.7
256.01483	0.5
256.04089	0.8
257.04636	0.5
284.05792	7.1
285.04068	0.7
300.05402	1.0
311.04617	0.7
312.05313	53.0
313.05630	2.5
326.07108	0.9
370.09515	100.0
371.09662	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	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05500	1.3
56.25570	0.5
56.96560	0.6
57.03435	4.2
59.04982	0.9
61.02940	1.1
62.06097	0.5
64.25904	0.4
67.05490	1.3
69.03432	3.4
69.07060	1.3
69.44920	0.4
70.06598	3.9
71.04990	18.6
71.61942	1.0
72.08149	7.7
73.02903	0.5
73.04721	0.8
74.06056	0.7
79.05485	0.9
81.03413	2.5
81.07034	0.7
83.04977	0.5
84.04502	1.2
84.08133	2.2
85.02900	7.3
86.06040	0.7
86.09698	1.0
87.04452	1.5
88.03917	0.5
89.03873	0.6
91.05373	3.5
92.05838	0.7
95.04958	3.8
97.02902	3.3
98.06060	1.1
98.09673	0.6
99.04429	1.0
101.03487	1.1
101.06012	0.6
102.58881	0.5
105.07005	0.7
107.04952	1.6
109.02858	1.4
109.06495	0.5
109.10200	0.6
110.02414	0.6
110.07161	1.2
111.04476	0.5
113.05998	10.6
115.08694	1.0
116.07034	0.7
116.98598	0.6
117.03362	2.2
119.04947	2.6
120.05249	0.9
120.08083	0.5
121.10172	0.9
123.04436	0.7
124.03951	0.6
124.07621	0.6
127.03917	3.1
127.07550	0.6
129.05444	0.5
129.10202	0.9
131.07033	41.6
132.07393	0.6
133.06488	0.7
134.99670	0.5
135.04427	0.8
137.05954	1.3
140.07063	0.7
145.02838	7.8
145.04926	1.3
145.08591	100.0
146.08910	1.7
147.04395	7.0
148.04741	1.0
149.05940	1.0
151.03897	0.8
152.07069	1.3
155.06956	0.8
158.09192	0.6
161.06039	0.6
163.03918	2.8
164.07042	0.5
167.07065	2.5
169.09677	0.5
173.08096	10.4
175.03937	1.5
176.04268	1.9
177.05466	15.2
180.08662	1.8
180.10080	0.6
182.24284	0.5
188.10773	0.4
189.05441	0.5
191.09137	18.2
191.81514	0.5
207.06549	2.7
208.06932	3.6
208.09718	1.7
208.11624	0.6
217.08519	0.8
218.11723	1.8
234.11282	0.8
237.02733	0.5
248.12810	7.8
249.08862	0.5
265.08536	0.6
285.00851	1.0
289.15555	1.5
325.10803	1.1
355.06906	0.9
360.09540	0.6
370.12488	0.6
370.17914	4.7
371.16336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.4
54.36338	2.1
55.01853	6.9
55.05506	33.3
55.74133	2.3
57.03433	38.1
57.07060	7.0
58.05239	2.3
59.04991	2.5
67.05500	97.2
69.03423	5.9
69.07063	26.8
69.62122	14.8
69.62524	5.1
71.04987	7.2
71.08627	3.6
74.02307	2.3
77.96107	2.7
79.05491	68.0
81.07050	92.0
83.04969	13.1
83.08610	22.5
85.02900	3.5
85.06540	10.2
91.05470	52.3
93.07033	88.4
93.07623	4.7
95.04966	15.5
95.08595	68.7
95.22104	2.2
97.06523	9.2
97.10164	22.0
98.20767	5.4
98.67017	2.6
99.08088	8.9
105.07025	51.0
107.04893	6.5
107.08586	67.7
109.06512	13.0
109.10149	54.7
111.08096	5.4
117.07027	16.9
119.04939	5.0
119.08573	36.9
121.06510	2.7
121.10132	46.6
123.04420	21.6
123.08063	11.3
123.11707	12.1
125.09600	15.7
129.07021	6.7
131.07021	7.5
131.08543	29.3
133.10104	38.2
135.08037	4.7
135.11673	38.3
137.02377	2.9
137.05937	3.3
137.09622	6.5
137.13226	3.6
139.11191	3.9
143.08528	6.1
145.10132	24.5
147.04401	7.0
147.08047	2.9
147.11687	27.1
149.02361	7.0
149.05977	3.8
149.09547	3.8
149.13226	18.8
151.11182	11.2
157.10115	9.2
159.11697	21.5
161.09636	3.1
161.13235	16.5
163.11169	8.2
163.14816	7.7
165.12773	5.0
171.11678	9.9
173.11922	2.8
173.13303	10.0
175.03947	5.8
175.14763	13.5
179.03310	12.4
179.14323	8.5
185.13249	10.1
187.14790	22.7
189.11221	10.5
189.12749	2.8
190.95279	3.1
193.05028	5.7
193.15729	3.4
197.04442	15.3
199.14728	4.4
201.09271	2.7
201.16431	7.0
203.18024	3.6
205.15845	13.4
207.06564	9.8
208.96527	3.1
217.04128	3.6
219.17496	5.6
221.19011	8.9
225.42561	2.5
227.12791	4.4
231.02078	7.2
231.20992	2.7
237.11079	2.9
241.04961	5.4
241.19467	19.2
245.13947	7.7
246.67082	3.6
251.71147	3.0
259.20520	41.2
277.21603	82.0
295.05969	7.3
295.22681	6.5
299.12845	12.1
313.07001	7.0
350.69565	3.0
351.25302	96.1
352.25894	3.3
369.13351	100.0
369.23987	4.2
369.79004	3.1
370.09500	5.4
370.13574	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01855	4.7
55.05509	22.6
57.03433	47.6
57.07080	2.8
65.03944	3.3
67.05499	65.7
68.99758	3.3
69.07068	20.9
69.76044	15.6
71.04980	9.4
79.05484	60.9
81.07050	100.0
83.04977	7.0
83.08631	11.9
85.06536	6.6
89.80744	2.8
91.05475	55.1
93.07037	76.6
93.45467	2.5
95.04948	11.7
95.08598	67.6
97.06522	12.2
97.10166	7.6
98.21481	2.8
99.08091	7.2
105.07024	38.3
106.07357	2.3
107.08587	56.5
109.06533	11.8
109.10154	31.7
111.08080	9.3
116.98643	3.3
117.06999	12.2
119.04921	3.9
119.08565	36.3
121.06501	7.9
121.10143	48.7
123.04418	49.4
123.08084	12.6
123.11702	7.9
123.85073	2.2
125.09609	5.8
129.06947	6.8
131.07027	7.4
131.08554	27.8
133.10127	32.1
134.47021	2.1
135.08005	3.1
135.11694	36.7
136.02596	2.6
137.09645	6.6
137.13190	2.1
139.11172	4.0
143.08562	7.3
145.06462	2.3
145.10118	22.2
147.04344	5.5
147.11678	21.2
149.05978	15.0
149.09628	5.0
149.13272	15.7
151.07590	4.6
151.11168	7.5
153.05466	5.9
157.10085	4.2
157.74655	2.4
158.07304	3.6
159.11688	19.0
161.09619	2.9
161.13269	12.8
163.11139	6.3
163.14830	6.4
165.12802	4.7
171.11670	8.9
172.56326	2.5
173.11844	2.6
173.13243	12.1
173.61118	2.5
175.03871	4.0
175.14835	7.2
177.12775	3.7
185.13312	8.5
187.14807	30.1
189.12788	3.1
190.95409	5.1
191.03380	2.3
199.14888	3.4
201.09111	4.8
201.16370	3.6
203.18024	4.1
205.15820	13.4
207.06522	8.6
208.47910	2.6
213.16461	4.2
215.10693	2.8
218.09564	2.3
219.17267	4.4
221.19009	8.3
229.14380	3.5
231.21220	3.1
232.96521	2.7
233.11743	14.5
241.19597	12.4
247.13222	2.5
259.20554	35.8
269.17386	3.5
276.74536	2.3
277.21548	57.6
295.06085	4.3
295.22565	4.9
296.06143	2.6
313.06995	6.8
315.07663	2.2
333.24246	5.4
339.07751	4.0
351.12167	5.6
351.25281	80.3
369.12500	28.7
369.17004	14.3
369.26596	14.6
370.12921	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
55.01863	5.3
55.05503	35.1
57.03431	7.8
57.07072	7.0
58.06592	4.8
65.03933	5.5
67.05498	100.0
69.03423	4.5
69.07059	26.2
70.45704	2.5
70.79189	9.5
71.04983	5.2
71.08270	3.6
71.08628	34.3
74.81023	2.6
79.05484	61.8
81.03408	7.2
81.07047	78.9
83.04972	15.1
83.08612	21.1
85.06546	5.4
90.90215	2.4
91.05470	38.9
93.07033	82.1
95.04971	19.5
95.08604	50.7
97.06532	11.3
97.10162	22.9
99.08091	31.0
105.07014	35.0
107.05007	3.4
107.08582	51.5
109.06501	8.2
109.10149	53.2
111.08079	7.9
113.70094	2.4
117.07017	9.3
119.08567	30.5
121.00020	2.7
121.10140	39.5
122.29585	2.8
123.04411	18.9
123.08026	3.2
123.11678	12.8
125.09602	15.9
129.07031	4.6
131.08560	12.5
133.10132	24.4
135.08084	2.9
135.11682	47.8
137.06013	3.7
137.09618	7.2
139.11183	3.7
141.09148	2.8
143.08556	8.3
143.43506	2.8
145.10112	9.5
147.04388	3.7
147.08052	3.6
147.11684	20.0
149.05934	3.8
149.09654	3.8
149.13223	18.6
151.11195	15.3
153.05475	3.5
157.10158	3.0
159.11684	13.5
161.06100	2.6
161.09749	2.7
161.13222	16.0
163.11183	6.4
163.14813	4.7
165.12773	9.5
167.10689	4.7
171.11646	6.7
173.11765	4.6
173.13263	5.7
175.14838	9.2
177.12808	4.1
179.03384	3.7
179.14304	83.5
185.13226	5.7
189.09090	4.7
189.11227	11.7
189.12787	4.5
190.95331	2.9
207.06453	5.5
208.96382	3.7
217.12219	3.0
221.15341	4.4
225.63083	2.7
227.12773	12.0
229.14291	3.1
235.17026	5.4
241.19492	6.7
245.13907	7.4
247.09631	2.7
250.97488	4.3
259.09680	2.9
259.20523	20.0
276.88364	2.9
277.21613	93.0
298.84256	2.8
313.06992	9.3
351.08401	3.3
351.12488	13.2
351.25253	97.2
369.13412	27.5
369.17099	5.8
369.23987	4.3
369.43124	2.9
370.13113	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	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64406	1.2
53.03938	4.3
53.63526	1.0
55.01860	4.1
55.05504	24.7
55.56693	1.0
57.03431	46.5
57.07069	3.5
59.04995	5.4
59.79045	1.0
65.03925	4.2
67.05498	80.0
68.05832	2.5
69.03421	4.1
69.07062	25.8
69.73599	3.7
69.74011	4.4
70.04083	1.5
71.04984	34.1
77.03916	1.7
79.05483	67.5
81.03410	1.9
81.07048	100.0
82.07387	1.2
83.04981	5.8
83.08614	12.9
85.06544	7.0
89.06020	3.5
91.04884	1.7
91.05469	51.1
93.07034	76.7
94.07358	1.9
95.04965	10.4
95.08596	80.7
97.06512	10.8
97.10128	5.5
99.08096	6.0
99.68842	1.3
105.07019	31.3
107.07853	2.5
107.08583	46.0
109.06538	6.2
109.09439	2.3
109.10146	28.6
111.08050	7.8
111.11728	1.8
113.09644	1.8
117.07002	12.5
118.53627	1.2
119.04939	8.8
119.08574	31.6
121.06541	1.7
121.10133	41.3
123.04411	11.9
123.08064	5.6
123.11703	7.4
125.09625	4.3
129.07011	5.0
131.07022	2.2
131.08556	20.3
133.10123	22.5
135.08031	2.5
135.11671	25.0
137.09633	5.7
137.13361	1.4
139.11165	2.3
143.08562	4.1
145.10104	17.7
147.04413	9.3
147.11658	18.3
149.09607	4.0
149.13232	18.0
151.11166	3.7
153.05438	2.2
157.10161	4.7
159.11668	13.5
161.13258	10.3
163.11169	2.9
163.14816	4.8
165.12778	3.9
171.11664	4.4
173.13225	12.3
175.03882	8.9
175.07533	1.2
175.11130	1.6
175.14844	7.2
177.12740	2.1
177.16313	1.4
179.07050	1.5
181.12248	1.3
185.13260	4.5
187.14807	11.3
189.12746	1.7
189.16379	5.0
191.14305	4.3
199.14854	3.4
201.16417	2.9
203.10634	1.3
205.15944	7.5
207.06500	20.8
207.13942	1.8
207.17409	3.4
208.06863	2.2
219.17453	2.6
221.15276	1.5
221.18991	2.0
231.21124	2.3
235.16896	1.9
241.19498	6.9
259.20544	17.9
267.06989	1.2
277.21600	29.8
281.21222	1.3
293.21103	3.5
295.06058	1.5
297.07428	2.0
312.06104	1.3
313.07120	2.9
327.08505	7.3
336.06418	2.0
337.10724	1.8
351.08334	7.9
351.12167	3.5
351.25278	21.8
369.09155	2.4
369.13470	6.3
369.17221	2.1
369.26352	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01855	4.5
55.05507	25.6
57.03437	15.6
57.07074	2.3
58.06607	1.5
59.04987	2.4
60.96791	1.3
64.41124	1.1
64.48391	1.3
65.03928	4.8
67.05499	100.0
69.03416	3.9
69.07061	34.3
69.55688	8.7
69.56104	3.4
71.04982	6.8
72.63690	1.3
79.05486	44.7
79.38321	1.4
81.03411	1.8
81.07050	65.3
83.04980	5.4
83.08620	8.7
85.06516	5.8
91.05468	27.0
91.05999	2.1
93.07037	51.8
95.04964	10.1
95.08599	54.2
97.06516	8.8
97.10152	7.6
99.08064	3.0
105.07027	17.3
107.04918	3.3
107.08586	31.4
109.06489	6.6
109.10149	36.5
111.08048	4.2
111.11649	1.6
112.06699	1.4
117.07005	4.4
119.04932	6.4
119.08566	16.8
121.06519	2.7
121.10129	23.0
123.04410	14.6
123.08034	3.0
123.11675	6.6
125.09605	5.5
129.06982	1.8
131.08537	7.9
133.10110	16.0
135.08011	2.4
135.11681	12.6
137.09608	4.9
139.11194	10.0
143.08522	3.3
145.10120	5.8
147.04408	6.3
147.08105	1.9
147.11676	8.2
149.05998	2.7
149.09621	3.1
149.13275	9.3
151.11200	2.5
155.10562	2.1
157.10115	3.1
159.11688	4.3
161.09618	1.7
161.13220	4.8
163.11230	1.7
163.14818	3.5
165.12732	2.0
167.06927	1.6
171.11670	2.3
173.11732	10.2
173.13181	3.2
175.03896	11.5
175.07484	1.8
175.14841	3.8
185.11571	1.6
185.13176	3.8
187.14786	2.0
189.11197	3.5
189.12717	1.6
193.15886	1.6
199.14896	1.7
203.12775	5.3
207.06528	19.8
215.10751	3.8
221.15382	2.9
229.14438	2.4
231.21075	2.3
233.11702	3.1
241.19392	2.3
250.79825	1.3
259.20566	8.5
273.57416	1.5
277.21603	20.2
298.04507	3.3
313.07071	12.6
333.24106	3.3
351.08560	2.3
351.12299	3.5
351.25262	14.8
369.09579	6.9
369.13831	11.0
369.17276	3.0
369.26331	60.8
370.26627	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	369.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
54.04705	0.5
55.01866	5.1
55.05504	5.2
56.96553	1.0
57.03441	4.2
57.07064	1.3
65.03925	0.6
67.05502	6.9
69.03413	2.5
69.07063	5.4
69.49591	0.6
69.73414	0.9
69.73821	2.9
70.04076	8.5
70.19266	0.5
70.67699	0.7
71.03793	0.6
71.08613	1.2
72.08142	1.0
79.01827	1.3
79.05489	7.0
81.03413	1.4
81.07051	28.1
83.04984	3.3
83.08611	3.0
85.02884	1.3
85.06533	0.6
91.05474	7.2
93.07034	6.2
93.66147	0.5
95.04951	1.1
95.08598	7.8
97.02872	0.9
97.06526	1.7
97.10232	0.5
101.09663	0.6
105.03372	0.5
105.07024	6.4
107.04955	1.0
107.08589	6.2
109.06509	12.2
109.10163	4.1
111.04433	17.8
111.08072	1.8
114.78812	0.5
114.89105	0.6
117.06981	1.1
119.04939	5.7
119.08572	6.7
119.37633	0.5
121.06523	1.2
121.10153	5.5
123.04421	3.7
123.08038	3.3
123.11701	1.8
125.05972	5.6
127.03880	1.2
130.45279	0.6
131.08565	2.8
133.10115	6.5
134.03633	0.7
135.08026	3.2
135.11661	5.3
137.05968	100.0
137.09602	1.6
137.13254	2.4
138.06345	2.2
142.07732	0.9
143.08528	1.8
145.06508	0.8
145.10127	2.9
147.04393	4.8
147.08047	1.3
147.11665	6.6
149.02263	0.7
149.06018	0.7
149.09621	4.8
149.13269	2.0
151.03926	0.7
151.07552	3.1
151.11234	1.3
157.10109	3.0
159.08104	0.8
159.11636	1.4
161.05893	0.6
161.09627	6.3
161.13301	3.1
163.07581	0.7
163.11201	3.1
163.14816	0.7
165.09171	2.8
165.12813	0.9
167.10713	1.3
171.11720	1.9
173.06000	0.6
173.13222	1.3
175.03894	7.0
175.07544	0.6
175.11182	5.4
175.14827	2.1
177.12727	0.9
179.10666	2.0
181.12357	1.0
185.13293	0.8
189.12715	1.0
191.10571	0.5
193.12242	1.4
203.17938	7.4
205.19438	1.2
207.06514	14.6
207.10330	0.6
208.06836	0.7
211.07661	0.6
213.16348	2.8
221.18996	1.9
223.14882	0.7
231.17422	10.9
237.02666	0.7
241.15810	1.1
249.18488	12.0
253.05080	0.8
270.05145	1.5
277.17966	61.6
278.18301	2.2
281.04410	1.8
281.07874	0.7
283.05988	0.8
285.07947	0.5
289.07080	0.7
295.19028	30.4
296.19147	1.2
298.04712	4.9
299.05502	0.8
311.05142	0.7
313.07007	20.7
314.07349	2.4
323.09216	1.7
327.08633	1.3
351.08044	2.9
351.21597	12.7
351.25732	1.0
352.22116	1.0
369.04022	1.0
369.09467	4.1
369.13303	18.3
369.22675	7.9
370.13678	2.6
394.13409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1695
Annotation	Edulane
Peak:m/z	Relative Intensity
54.21809	0.8
55.01867	1.3
55.05502	1.6
67.05505	7.5
69.07058	5.5
69.82617	2.2
69.83030	3.9
71.08620	1.0
79.05494	1.0
81.07047	5.4
83.08635	1.4
91.05488	3.2
93.07038	2.3
95.04954	9.4
95.08609	3.2
98.20739	1.6
99.08124	0.9
103.05500	1.4
105.07029	4.3
107.04961	1.5
107.08537	1.5
109.06487	2.4
109.10143	2.0
119.04951	1.5
119.08595	1.0
121.06451	1.1
121.10124	1.5
121.45210	0.9
123.04414	100.0
124.04726	1.2
131.04922	1.6
133.06522	1.5
135.04430	1.3
135.11732	1.0
137.05974	1.9
145.10109	1.6
147.04391	7.0
148.05144	0.9
149.06000	3.3
149.13210	1.0
151.07535	2.4
155.07274	1.0
155.26176	0.9
160.05246	2.0
165.05473	1.0
166.01373	1.1
167.07028	4.0
173.05934	1.2
178.06219	1.6
179.07013	2.8
191.07011	12.1
207.06476	1.6
225.09090	1.4
225.61617	1.0
232.96410	1.4
235.13220	5.5
283.06076	1.2
283.09802	1.7
298.08282	1.3
300.09799	1.3
313.10657	83.8
314.11084	4.0
351.12650	1.4
369.13071	2.2
369.17130	3.1
369.24121	2.5
369.27945	2.0
369.38589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34566	2.0
53.03929	5.4
55.01862	5.7
55.05509	5.1
57.03426	7.0
59.04971	2.5
61.02918	6.3
65.03934	2.0
67.05492	7.5
69.03422	26.9
69.07079	4.8
70.06591	16.2
71.04971	8.2
71.07339	6.2
72.08157	16.1
73.02921	4.2
79.05473	5.7
81.03416	15.5
81.07051	10.7
83.04972	14.6
83.08604	2.6
84.08136	8.1
85.02904	45.7
85.06552	3.2
86.09696	6.9
87.04443	4.2
91.03946	3.5
91.05472	32.0
93.07026	11.3
95.04964	9.8
95.08597	8.0
97.02892	20.6
97.06532	5.4
99.04433	6.1
103.05422	2.4
104.66735	2.2
105.07047	20.8
107.04946	5.7
107.08610	12.4
109.02877	13.6
109.06499	10.0
109.10148	5.7
110.07185	3.4
111.08053	2.8
117.07041	2.8
119.04950	34.9
119.08595	15.3
120.08098	3.9
121.02862	3.0
121.06476	11.1
121.10142	9.7
123.04411	6.0
123.08085	6.8
123.11670	4.3
125.09562	2.4
127.03915	16.8
128.06223	3.1
129.06979	3.8
129.10229	2.4
130.07805	2.3
131.08519	9.5
133.06464	6.1
133.10133	17.6
135.08025	6.2
135.11691	2.3
136.07558	2.8
137.02357	2.2
137.05969	4.0
137.09569	10.3
142.07687	2.0
143.08600	6.0
145.04916	9.6
145.06535	2.1
145.10126	12.8
147.04411	39.6
147.08037	8.0
147.11659	8.7
147.51181	2.1
149.08395	2.8
149.09605	58.4
150.07903	1.9
151.09354	2.1
151.11172	51.4
156.09363	3.0
159.08037	4.8
159.11696	2.4
161.09641	13.4
161.13263	9.9
163.11165	34.4
165.05461	3.3
167.03410	2.5
167.07108	3.4
168.24417	2.3
171.11673	10.1
173.13261	5.2
174.10390	10.1
175.03900	42.8
175.11275	2.3
177.05495	2.6
179.06993	3.9
179.10669	17.7
187.07480	1.9
189.11064	2.7
189.12741	57.2
191.14311	62.4
191.16054	3.8
205.12248	4.3
207.04541	3.2
207.06522	80.5
207.13799	100.0
218.11691	2.7
237.19704	2.0
265.08481	2.7
287.37885	1.8
295.05838	2.1
302.78793	1.8
309.07153	2.4
309.11044	2.3
315.08630	5.0
324.13510	1.9
337.10522	3.1
339.12430	2.6
351.10928	6.3
369.14182	6.5
369.18756	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	369.1329
Annotation	(2S)-4',5-Dihydroxy-8-hydroxymethyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
Peak:m/z	Relative Intensity
55.01847	0.2
67.05484	0.6
68.99780	0.3
69.03418	0.3
69.07045	0.4
70.74995	0.4
70.75325	0.4
81.03378	0.5
81.07045	0.5
83.04948	0.2
85.02843	0.2
86.49088	0.2
91.05474	1.4
93.07036	0.6
95.04942	0.5
95.08544	0.3
101.27756	0.2
104.60845	0.2
105.07023	0.4
107.04928	0.7
107.08546	0.5
109.02869	2.0
109.10117	0.4
117.06950	0.2
119.04925	2.6
119.08540	0.2
121.02853	2.7
121.10109	0.3
123.04415	0.7
123.11724	0.2
129.69791	0.2
131.08530	0.2
133.02844	0.4
133.10143	0.3
135.04353	0.3
145.06517	0.2
145.10123	0.3
147.04408	1.0
149.05972	0.9
155.08560	0.3
161.09558	0.2
165.01729	0.2
165.06985	0.7
167.06992	0.2
171.08015	0.5
171.11635	0.3
175.03871	0.4
175.07542	0.5
177.01782	2.1
183.08047	0.3
185.05931	0.3
189.09029	0.6
190.95364	0.3
195.02873	9.6
207.06496	1.8
208.96455	0.4
211.07498	1.0
213.05333	0.3
232.08769	0.2
232.96414	0.4
239.06850	0.5
267.06503	0.9
282.05222	0.5
295.05972	100.0
296.06326	3.0
297.07516	4.3
309.07483	0.4
313.06924	0.7
339.10733	0.3
351.12231	23.1
352.12646	0.6
353.11621	0.7
354.12305	0.3
368.31314	0.7
369.09210	0.4
369.13318	7.0
369.24188	0.8
369.31552	1.2
373.00702	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	369.1329
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
51.28429	0.1
52.53021	0.1
58.06612	0.1
59.64555	0.1
60.10612	0.1
67.05462	0.2
69.07011	0.2
69.64548	0.1
69.97486	0.6
69.97896	0.3
70.99801	0.1
72.08056	0.2
75.23110	0.1
78.04675	0.1
79.05431	0.2
88.27867	0.1
89.03843	0.1
91.05433	0.2
95.08539	0.2
98.21407	0.2
105.06964	0.3
106.04137	0.3
117.03326	0.2
123.04353	0.2
133.02814	0.1
134.03601	1.8
147.04311	0.2
151.02620	0.1
151.03851	0.4
165.01768	0.7
172.05153	0.1
172.56288	0.1
183.02769	0.6
185.05919	0.2
186.06757	0.2
213.05409	0.7
214.06235	0.7
232.96469	0.2
235.65181	0.1
241.02673	0.2
241.04935	3.0
242.05690	1.1
253.04919	0.4
256.03589	0.2
269.04379	0.6
270.05212	4.1
281.04489	0.3
285.07651	0.2
297.03906	0.5
298.04697	35.5
299.05093	1.0
313.07022	100.0
314.04050	0.2
314.07382	2.6
368.31650	0.2
369.09903	0.6
369.13351	9.9
369.29990	0.3
370.13681	0.3
383.62759	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	369.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74080	0.2
53.03860	0.9
53.04109	0.5
55.01788	2.2
55.02073	0.4
55.05431	1.1
58.06800	0.3
65.00513	0.3
65.03844	2.0
65.04823	0.3
67.05405	1.7
68.99709	0.9
69.03337	1.1
69.06966	1.2
71.08553	0.3
71.62439	0.3
79.05391	1.4
81.03309	2.1
81.06953	2.9
83.04922	0.7
83.08511	0.9
91.05382	1.4
93.03278	0.9
93.07035	1.7
95.04945	3.3
95.08598	1.8
97.06521	1.9
105.07041	1.9
107.04852	0.5
107.08562	1.2
109.02814	0.3
109.06396	0.9
109.10091	0.6
111.04364	0.7
111.07996	0.3
117.06869	0.4
118.10149	0.3
119.04872	0.3
119.08485	1.2
121.02864	5.9
121.10103	1.4
123.04394	1.3
123.11610	0.5
125.09543	0.3
129.06850	0.3
131.08542	0.4
133.10056	0.5
134.03497	1.0
135.04306	0.4
135.11595	0.4
143.08530	0.3
145.10089	0.6
147.04308	0.4
147.11592	1.1
149.02335	10.7
149.05872	0.3
149.13197	0.3
151.03770	0.8
151.11115	0.6
159.11630	0.5
161.02246	0.5
161.13231	0.5
163.11081	0.6
163.14713	0.3
165.12790	1.3
166.28198	0.3
167.03400	4.1
169.04970	2.0
171.27791	0.3
175.14745	0.4
179.03381	27.9
180.03667	0.5
181.06311	0.5
185.05884	0.5
190.95322	0.3
197.04442	34.5
198.04756	0.4
207.06422	0.7
209.05869	0.8
213.05455	1.8
224.04613	0.5
237.05481	1.4
241.05115	0.3
241.19347	0.3
250.97478	0.5
252.04097	1.2
253.05092	0.3
259.20496	0.7
265.04944	2.8
273.45169	0.3
277.21619	3.1
280.03662	1.8
280.35641	0.3
283.06021	3.3
289.21509	0.9
295.05997	12.3
295.09418	0.6
296.06323	0.4
298.04755	0.5
313.07028	100.0
314.07446	3.2
333.24298	0.6
351.12091	0.3
351.25244	3.7
368.42557	0.3
369.13275	11.1
369.20239	0.5
369.26697	1.0
370.13705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1329
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
50.74080	0.2
53.03860	0.9
53.04109	0.5
55.01788	2.2
55.02073	0.4
55.05431	1.1
58.06800	0.3
65.00513	0.3
65.03844	2.0
65.04823	0.3
67.05405	1.7
68.99709	0.9
69.03337	1.1
69.06966	1.2
71.08553	0.3
71.62439	0.3
79.05391	1.4
81.03309	2.1
81.06953	2.9
83.04922	0.7
83.08511	0.9
91.05382	1.4
93.03278	0.9
93.07035	1.7
95.04945	3.3
95.08598	1.8
97.06521	1.9
105.07041	1.9
107.04852	0.5
107.08562	1.2
109.02814	0.3
109.06396	0.9
109.10091	0.6
111.04364	0.7
111.07996	0.3
117.06869	0.4
118.10149	0.3
119.04872	0.3
119.08485	1.2
121.02864	5.9
121.10103	1.4
123.04394	1.3
123.11610	0.5
125.09543	0.3
129.06850	0.3
131.08542	0.4
133.10056	0.5
134.03497	1.0
135.04306	0.4
135.11595	0.4
143.08530	0.3
145.10089	0.6
147.04308	0.4
147.11592	1.1
149.02335	10.7
149.05872	0.3
149.13197	0.3
151.03770	0.8
151.11115	0.6
159.11630	0.5
161.02246	0.5
161.13231	0.5
163.11081	0.6
163.14713	0.3
165.12790	1.3
166.28198	0.3
167.03400	4.1
169.04970	2.0
171.27791	0.3
175.14745	0.4
179.03381	27.9
180.03667	0.5
181.06311	0.5
185.05884	0.5
190.95322	0.3
197.04442	34.5
198.04756	0.4
207.06422	0.7
209.05869	0.8
213.05455	1.8
224.04613	0.5
237.05481	1.4
241.05115	0.3
241.19347	0.3
250.97478	0.5
252.04097	1.2
253.05092	0.3
259.20496	0.7
265.04944	2.8
273.45169	0.3
277.21619	3.1
280.03662	1.8
280.35641	0.3
283.06021	3.3
289.21509	0.9
295.05997	12.3
295.09418	0.6
296.06323	0.4
298.04755	0.5
313.07028	100.0
314.07446	3.2
333.24298	0.6
351.12091	0.3
351.25244	3.7
368.42557	0.3
369.13275	11.1
369.20239	0.5
369.26697	1.0
370.13705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
53.00256	0.5
55.01850	0.4
55.05481	0.6
57.16135	0.4
67.05476	1.1
68.99770	0.4
69.07027	1.1
71.34045	0.5
71.34386	0.6
77.25673	0.3
79.01854	10.6
79.05458	0.6
80.27949	0.4
81.03365	0.5
81.07012	1.2
85.06546	0.6
89.03880	1.2
91.05435	1.0
93.07003	0.6
95.04932	0.9
95.08570	1.0
96.75854	0.4
105.07004	0.9
107.04977	0.6
107.08530	0.7
109.10125	0.8
116.01826	0.4
117.03358	2.8
119.04893	0.4
119.08576	0.7
121.10151	0.5
123.04363	1.2
125.05921	0.4
130.82202	0.4
131.04901	0.5
131.08516	0.5
133.10074	0.5
134.03632	4.9
135.07985	0.5
137.05930	0.7
141.06938	0.5
145.10092	0.6
147.04338	1.1
147.11571	0.4
149.05968	0.5
154.02499	0.5
157.10063	0.5
161.05986	0.6
161.13231	0.4
165.01840	0.6
168.05692	0.4
169.06496	0.8
175.03831	1.5
175.07515	0.4
183.04370	0.8
185.05930	0.8
186.06746	0.8
187.07542	0.7
189.09103	0.5
190.95398	0.6
197.04359	0.4
197.05984	2.5
199.03900	0.6
207.06474	1.8
207.13791	0.5
208.96378	0.5
211.03824	1.2
213.05434	0.7
214.06181	1.0
215.06973	1.3
225.05423	2.0
228.01941	0.4
232.96378	1.1
241.04907	0.9
242.05865	1.9
243.06473	1.2
250.97482	0.7
252.04123	0.4
253.04945	6.6
267.06558	0.4
269.04465	0.4
270.05246	6.0
277.21521	0.7
281.04456	6.4
285.07678	0.8
289.07043	4.3
297.07529	0.8
298.04712	16.7
298.08142	0.9
299.05307	1.3
313.07031	100.0
314.07410	2.9
351.08377	0.5
351.12265	0.9
354.10858	0.8
369.13315	78.9
370.13626	2.2
376.15250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
56.96561	1.0
57.07382	0.7
64.77157	0.7
67.40181	0.7
67.40555	0.8
69.03415	2.7
70.06585	2.1
71.62644	1.1
72.08163	2.2
81.03425	0.9
81.07022	0.9
84.08150	5.9
85.02904	2.9
90.94720	0.8
91.05479	3.8
93.65185	0.8
94.85851	0.7
95.04946	1.1
97.02887	2.0
98.97593	1.2
98.98427	1.0
103.55853	0.7
107.04946	1.8
108.08166	0.8
109.02852	1.0
110.07174	1.0
111.36398	1.0
116.98661	1.2
119.04919	5.6
127.03896	3.1
130.08670	1.5
134.41644	0.8
136.03746	0.7
147.04373	6.3
147.11308	0.9
152.37584	0.9
167.07048	1.1
170.82251	0.8
175.03882	10.1
185.04250	2.5
195.94075	0.7
201.00626	1.0
206.05499	3.2
207.06461	23.3
207.08382	1.7
235.14316	1.2
238.44080	0.9
286.64261	0.7
351.10800	1.0
351.19235	1.1
369.11545	100.0
369.20126	6.0
370.11707	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0968
Annotation	Candidusin B 2,2'-Epoxy-3',6'-dimethoxy-1,1',4',1''''''''-terphenyl-3'''''''',4,4'''''''',5-tetrol
Peak:m/z	Relative Intensity
53.03930	0.9
55.01863	0.8
55.05492	0.7
56.48946	0.3
57.03420	0.5
57.07051	0.5
59.04986	0.4
65.03931	0.6
67.05505	2.1
69.03130	0.4
69.03429	4.5
69.07060	1.9
70.04073	2.0
70.06541	0.4
71.04964	0.5
72.08144	0.7
77.03882	0.4
79.05474	2.3
81.03409	3.7
81.07057	4.1
83.04955	1.0
85.02892	1.7
85.06556	1.9
89.03934	0.5
91.05479	11.5
93.07047	2.0
95.04947	1.5
95.08578	1.7
97.02878	1.3
97.06514	1.6
99.04415	1.0
99.08091	0.4
103.05473	0.9
105.03366	0.8
105.07047	2.5
107.04941	1.0
107.08572	2.4
109.02879	2.2
109.06494	0.9
109.10147	3.6
111.04419	0.6
111.08036	0.4
119.04938	15.2
119.08530	1.9
121.02853	0.8
121.06480	0.6
121.10152	1.9
123.04435	1.1
123.08138	0.4
123.11706	1.7
125.05947	0.5
125.09628	1.7
127.03894	2.0
127.07504	0.7
127.11160	0.4
129.07063	0.4
131.04904	0.6
131.08557	1.1
133.06448	0.3
133.10104	1.5
135.04405	0.8
135.08020	0.4
135.11659	1.5
137.02322	0.6
137.05963	1.2
137.09579	0.6
145.02800	0.5
145.10081	1.3
147.04405	14.8
147.07980	0.5
147.11691	1.3
149.02371	0.5
149.05968	1.0
149.09653	0.5
149.13274	0.7
150.03127	0.5
151.03879	0.9
151.11165	1.8
153.05435	0.5
153.07002	0.6
153.12727	0.3
155.08388	0.4
157.03998	1.1
157.09956	0.4
159.11682	0.8
161.02263	0.6
161.05965	0.6
161.09566	0.6
161.13251	0.4
163.07539	0.6
163.11220	0.6
164.04683	0.7
165.01820	0.7
165.05389	0.6
165.06796	0.4
167.07085	0.7
169.12286	0.4
171.04367	0.5
174.03210	0.4
175.03897	24.4
175.07454	0.7
176.04398	0.5
177.01881	3.0
177.05560	0.4
179.03366	0.8
179.07007	0.9
179.10670	0.7
181.12248	0.5
187.07594	0.5
189.09071	0.5
189.12672	0.5
191.06990	0.7
191.10739	0.4
192.04140	0.9
193.04903	0.5
196.03679	0.5
199.07530	1.9
203.03331	1.0
205.01302	8.0
207.06516	45.2
208.06912	0.9
209.05998	0.4
211.07530	0.4
217.05070	0.6
219.08159	0.6
220.03728	2.3
221.04382	2.6
223.02373	1.6
225.07506	0.7
227.07022	0.6
235.05852	0.9
237.05411	1.4
238.04643	4.6
239.07001	1.0
248.08240	0.4
255.06447	2.2
265.04941	2.4
265.08481	0.5
266.05725	0.8
267.06433	1.0
269.07965	0.7
270.08807	0.7
277.08221	0.5
277.10883	1.0
279.06531	0.6
281.05063	0.4
281.08075	1.6
283.06015	3.1
289.10632	0.6
291.06540	0.4
293.04419	2.6
294.05264	3.7
295.05927	1.6
295.09293	0.5
297.07474	1.6
298.04770	0.9
298.08337	1.6
305.07648	0.4
307.09558	0.6
309.07571	8.5
310.07800	0.7
311.05499	7.8
311.09000	0.3
312.05957	0.8
313.06906	1.4
313.10443	0.8
315.08716	0.4
315.12234	0.7
321.03854	1.6
321.07300	0.5
322.04822	2.6
323.05777	2.2
323.09171	0.7
325.07031	0.9
326.07806	0.7
327.08701	1.2
333.13443	2.4
333.24191	2.2
336.06354	1.9
337.07031	9.7
337.10635	0.9
339.05011	9.5
339.12109	1.2
340.05252	0.5
341.10068	0.5
343.22156	0.4
351.11115	4.8
351.25076	1.1
353.06564	0.6
354.07339	9.8
355.07669	1.0
369.09622	100.0
370.09943	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	369.0965
Annotation	Naphthgeranin E
Peak:m/z	Relative Intensity
54.02384	0.5
55.01849	0.9
55.05503	1.1
57.03413	0.8
65.03929	0.9
66.25713	0.5
67.05502	2.7
68.99785	0.9
69.03430	4.4
69.07058	1.4
70.39690	1.6
79.05484	2.1
81.03410	1.3
81.07032	3.0
83.04941	0.9
83.08633	1.0
85.02889	0.9
85.06548	0.8
89.03916	0.8
90.37578	0.4
91.05473	6.7
93.03416	0.9
93.07040	1.6
95.04966	2.0
95.08581	2.1
97.02877	0.7
97.06521	1.5
98.21439	0.5
99.04420	0.5
105.03339	0.8
105.07018	1.9
106.04157	0.5
107.04953	1.2
107.08585	1.1
109.02861	1.0
109.06504	0.7
109.10151	1.3
111.11725	0.5
117.03401	0.5
118.04154	0.8
119.04935	8.3
119.08577	1.6
121.02855	0.9
121.06493	0.6
121.10149	0.8
122.03642	0.7
123.04424	11.6
123.08036	0.5
123.11657	0.7
125.05965	0.8
127.03919	1.3
129.06987	0.8
131.04964	0.6
131.08591	0.8
133.10091	1.4
134.03613	1.1
135.04410	1.7
135.08038	0.6
135.11649	0.5
137.02359	2.2
137.05989	2.3
137.09590	0.6
143.04897	2.2
143.08549	0.7
145.02861	0.7
145.10071	0.7
146.03596	0.9
147.04401	9.0
147.11714	0.7
149.02339	0.8
149.05952	1.4
151.03989	0.9
153.01793	0.5
153.05457	0.6
157.04095	0.5
159.07985	0.6
161.02315	2.6
161.06017	1.2
163.03891	1.5
165.05489	2.3
170.15373	0.5
171.04439	1.1
171.11713	0.6
173.05974	3.8
174.03152	1.6
175.03899	15.3
175.07523	0.6
177.05383	0.8
179.03305	0.6
179.07025	0.7
179.08549	0.5
181.01311	0.7
181.06555	0.6
187.03967	0.9
187.07536	0.5
189.01833	2.8
189.05424	1.3
189.08936	0.5
191.03398	1.1
191.10623	2.1
192.04065	0.6
193.04948	21.3
194.05365	0.5
198.14995	0.7
202.02588	8.1
203.03423	0.9
203.07021	0.6
205.04907	0.7
207.06500	25.5
208.06892	0.7
211.05936	2.5
215.07056	0.6
215.10631	1.5
217.04933	5.5
219.02924	1.3
220.03648	4.9
229.06378	0.5
229.08626	1.3
233.07977	0.7
233.11661	0.7
235.05974	34.1
236.06293	1.5
247.09741	1.0
251.07001	1.6
252.07692	0.8
255.06410	0.7
257.05621	0.8
257.08084	2.5
262.06204	0.6
263.07043	1.5
265.04709	0.6
267.06491	1.4
271.05884	0.5
277.05386	0.5
277.08621	1.0
278.05753	0.7
279.06467	4.8
280.07260	1.4
281.07974	0.8
291.06531	1.7
293.04333	2.3
295.06354	0.7
295.09564	2.4
297.03894	0.8
297.07614	0.5
298.04630	0.9
299.05402	0.9
299.08762	0.5
305.08231	0.9
306.05243	0.7
307.05905	0.8
308.06833	2.1
309.07578	4.0
309.10745	0.8
311.05515	1.4
313.07010	1.6
313.10446	0.7
315.04739	3.7
315.08136	0.7
316.05927	0.5
319.06116	2.8
321.07391	0.5
323.05493	1.2
323.09125	6.2
324.09619	0.5
327.05182	1.4
327.08591	31.6
328.08908	2.1
333.07440	0.7
335.05597	3.9
336.06235	15.9
337.06653	1.3
339.04782	0.8
340.05539	0.7
341.06409	0.6
351.08582	100.0
351.11948	4.6
352.08966	7.1
352.12909	0.8
354.07169	1.2
361.14032	0.5
369.09460	62.0
369.24655	1.1
369.29767	4.3
370.09845	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	369.0965
Annotation	Artoindonesianin P
Peak:m/z	Relative Intensity
53.03958	0.6
55.01873	0.9
55.05508	1.3
57.03440	1.1
59.05006	0.6
65.03962	0.7
67.05502	1.5
69.03430	4.5
69.07061	1.5
70.04072	100.0
70.67976	1.3
70.68306	0.5
71.03785	4.9
71.04399	8.6
79.05490	2.0
81.03410	2.1
81.07053	2.2
83.04983	0.8
83.08616	0.9
83.31791	0.5
85.02894	0.6
85.06540	0.5
91.05475	6.8
92.99763	1.5
93.07034	1.7
95.04963	1.7
95.08597	2.4
97.02862	0.7
97.06522	0.9
105.03402	0.7
105.07033	1.7
107.04941	1.8
107.08585	1.4
109.02905	1.1
109.06493	0.8
109.10149	1.2
117.07024	0.5
119.04941	10.5
119.08571	1.7
121.10139	1.4
123.04413	5.0
123.08068	0.5
123.11670	0.5
127.03892	1.4
129.06969	0.7
131.08527	0.8
133.02750	0.5
133.06471	0.9
133.10129	0.8
134.03564	0.9
135.04413	1.8
137.02332	4.5
137.05965	1.1
139.03911	0.8
141.01784	1.8
143.00754	0.9
144.01016	0.6
144.98611	1.1
145.06410	0.9
145.10077	0.7
147.04391	10.1
147.11691	0.8
149.02342	1.3
149.05965	1.8
151.03925	1.9
155.04863	0.9
157.04005	0.7
157.06488	0.8
159.11684	1.0
160.08646	0.4
161.02298	0.9
161.05943	0.7
161.30417	0.6
163.04001	0.8
165.01859	4.0
167.06982	1.2
169.06323	0.6
171.92834	0.5
173.05952	1.0
175.03900	17.2
175.07610	0.7
177.05338	0.5
179.03371	2.0
179.07054	0.9
183.02852	3.9
185.05872	1.0
187.03873	0.5
187.07507	0.9
189.05476	1.1
189.09061	1.4
192.04153	0.7
193.04953	1.4
194.02238	0.4
196.15199	0.5
197.06000	0.7
203.10500	0.5
205.08568	0.5
207.06511	34.1
208.06775	0.6
213.05524	1.0
215.07120	0.6
215.10658	0.7
217.04935	1.3
221.09584	0.8
225.05516	0.8
225.07585	0.7
227.06960	0.8
233.08031	0.9
235.05940	1.5
241.04970	0.8
243.06520	0.9
245.04555	0.9
247.09674	0.7
249.09166	0.6
253.04849	1.0
267.06500	1.4
267.10175	1.1
271.05969	1.8
277.08627	1.5
281.04382	1.4
281.07663	0.6
283.06119	2.3
286.04584	1.5
289.03351	2.0
295.05975	0.7
295.09705	0.7
297.03882	1.3
297.07516	1.4
298.04666	1.3
299.05490	62.6
300.05823	2.6
305.08130	1.0
308.06717	1.4
309.07458	1.2
311.05698	2.4
311.08932	0.6
313.06985	5.2
323.09094	6.5
327.08603	2.4
333.07556	3.1
336.06216	1.9
337.06876	1.0
341.10159	2.1
351.08493	26.2
351.15924	1.0
352.08862	1.1
369.04163	9.8
369.09567	92.1
370.03516	4.9
370.09906	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	369.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01873	0.9
55.05508	1.3
57.03440	1.1
59.05006	0.6
65.03962	0.7
67.05502	1.5
69.03430	4.5
69.07061	1.5
70.04072	100.0
70.67976	1.3
70.68306	0.5
71.03785	4.9
71.04399	8.6
79.05490	2.0
81.03410	2.1
81.07053	2.2
83.04983	0.8
83.08616	0.9
83.31791	0.5
85.02894	0.6
85.06540	0.5
91.05475	6.8
92.99763	1.5
93.07034	1.7
95.04963	1.7
95.08597	2.4
97.02862	0.7
97.06522	0.9
105.03402	0.7
105.07033	1.7
107.04941	1.8
107.08585	1.4
109.02905	1.1
109.06493	0.8
109.10149	1.2
117.07024	0.5
119.04941	10.5
119.08571	1.7
121.10139	1.4
123.04413	5.0
123.08068	0.5
123.11670	0.5
127.03892	1.4
129.06969	0.7
131.08527	0.8
133.02750	0.5
133.06471	0.9
133.10129	0.8
134.03564	0.9
135.04413	1.8
137.02332	4.5
137.05965	1.1
139.03911	0.8
141.01784	1.8
143.00754	0.9
144.01016	0.6
144.98611	1.1
145.06410	0.9
145.10077	0.7
147.04391	10.1
147.11691	0.8
149.02342	1.3
149.05965	1.8
151.03925	1.9
155.04863	0.9
157.04005	0.7
157.06488	0.8
159.11684	1.0
160.08646	0.4
161.02298	0.9
161.05943	0.7
161.30417	0.6
163.04001	0.8
165.01859	4.0
167.06982	1.2
169.06323	0.6
171.92834	0.5
173.05952	1.0
175.03900	17.2
175.07610	0.7
177.05338	0.5
179.03371	2.0
179.07054	0.9
183.02852	3.9
185.05872	1.0
187.03873	0.5
187.07507	0.9
189.05476	1.1
189.09061	1.4
192.04153	0.7
193.04953	1.4
194.02238	0.4
196.15199	0.5
197.06000	0.7
203.10500	0.5
205.08568	0.5
207.06511	34.1
208.06775	0.6
213.05524	1.0
215.07120	0.6
215.10658	0.7
217.04935	1.3
221.09584	0.8
225.05516	0.8
225.07585	0.7
227.06960	0.8
233.08031	0.9
235.05940	1.5
241.04970	0.8
243.06520	0.9
245.04555	0.9
247.09674	0.7
249.09166	0.6
253.04849	1.0
267.06500	1.4
267.10175	1.1
271.05969	1.8
277.08627	1.5
281.04382	1.4
281.07663	0.6
283.06119	2.3
286.04584	1.5
289.03351	2.0
295.05975	0.7
295.09705	0.7
297.03882	1.3
297.07516	1.4
298.04666	1.3
299.05490	62.6
300.05823	2.6
305.08130	1.0
308.06717	1.4
309.07458	1.2
311.05698	2.4
311.08932	0.6
313.06985	5.2
323.09094	6.5
327.08603	2.4
333.07556	3.1
336.06216	1.9
337.06876	1.0
341.10159	2.1
351.08493	26.2
351.15924	1.0
352.08862	1.1
369.04163	9.8
369.09567	92.1
370.03516	4.9
370.09906	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	369.0966
Annotation	Candidusin B 2,2'-Epoxy-3',6'-dimethoxy-1,1',4',1''''''''-terphenyl-3'''''''',4,4'''''''',5-tetrol
Peak:m/z	Relative Intensity
51.30629	0.2
55.01904	0.4
55.05542	0.4
57.84816	0.2
63.08657	0.2
63.55522	0.2
67.05502	1.3
68.99822	0.4
69.03418	2.1
69.07110	0.6
70.04790	0.2
70.97411	0.5
79.05537	0.7
81.03429	0.6
81.07047	1.5
83.05016	0.4
83.08640	0.3
85.02958	0.3
85.06598	0.3
91.05467	2.8
93.07076	0.8
95.05006	0.9
95.08667	0.6
97.06551	0.5
98.21473	0.3
99.04501	0.3
105.03415	0.4
105.07090	0.8
107.04980	0.6
107.08653	0.8
109.02930	0.7
109.06559	0.6
109.10195	0.6
115.05507	0.3
117.03431	0.3
119.04932	4.0
119.08620	0.7
121.02935	0.3
121.06526	0.3
121.10141	0.3
122.03696	0.3
122.84083	0.3
123.04410	4.5
127.03948	0.7
129.07048	0.3
131.08572	0.3
133.10147	0.3
134.03682	1.0
135.04486	0.7
135.11662	0.3
137.02403	0.5
137.05965	5.3
137.06885	0.4
139.03935	0.3
143.08623	0.3
145.10197	0.3
147.04401	3.8
147.05469	0.2
147.11758	0.4
149.02271	0.3
149.05974	1.4
149.13310	0.2
151.03967	0.4
151.07625	0.3
153.05424	0.5
159.11690	0.3
163.03917	0.4
165.01875	0.4
167.03494	0.2
167.07098	0.4
171.11858	0.3
173.06015	0.3
173.09637	0.6
175.03894	6.0
175.07581	0.4
177.01833	3.5
178.02510	0.3
179.03450	0.7
179.07054	0.3
181.06549	0.6
183.08116	0.2
187.07542	0.3
189.09117	0.4
196.03743	0.7
197.06020	0.3
201.09213	0.4
203.03317	1.2
203.10686	0.3
205.01291	8.2
206.01628	0.3
207.06499	12.1
208.06799	0.3
209.06049	0.6
211.07550	0.7
213.05531	0.4
214.06264	0.4
217.05017	0.6
219.06430	0.3
220.03653	2.3
221.04387	2.6
223.02332	2.1
227.07112	0.8
233.08189	0.9
233.11781	1.0
235.09662	1.1
237.05299	1.2
238.04614	4.7
239.07077	0.8
241.04921	1.4
242.05708	0.4
253.04999	0.2
253.08551	0.6
255.06500	3.1
263.06915	0.4
265.04968	2.3
266.05734	1.1
267.06503	1.3
269.04440	0.4
269.07950	0.7
270.05228	1.6
270.08887	0.6
277.21674	0.3
279.06442	0.3
281.05011	0.4
281.08029	1.8
282.05371	0.3
283.05981	4.1
291.06470	0.5
293.04434	2.2
294.05188	4.5
295.05988	1.2
297.04227	0.4
297.07477	2.0
298.04718	15.3
298.08179	1.7
299.05032	0.6
299.08270	0.5
309.07532	9.1
310.04752	0.3
310.07959	0.4
311.05457	7.9
312.06079	1.0
313.07025	44.6
314.07410	1.6
319.06003	0.4
320.06836	0.4
321.03940	1.6
322.04633	3.2
323.05533	1.1
325.07080	1.5
326.07828	0.8
327.08551	0.9
336.06165	1.8
337.07013	10.9
338.07532	0.6
339.04953	9.8
340.05270	0.5
341.10016	0.4
351.08490	1.2
351.11633	0.8
351.25281	0.4
353.06537	0.5
354.07297	10.9
355.07581	0.5
369.09586	100.0
369.29758	2.1
370.09933	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	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49601	0.2
51.02159	0.3
53.03946	0.4
55.01876	0.4
57.03433	0.6
61.02930	1.3
63.32133	0.3
69.03427	2.4
69.08029	0.3
70.06585	0.6
71.54049	0.5
72.08149	2.8
73.02917	0.8
81.03426	1.1
85.02898	6.3
88.13898	0.3
88.58353	0.3
89.10842	0.3
97.02873	2.4
99.04476	0.3
100.15768	0.3
109.02866	0.6
110.02421	0.6
119.04943	0.7
127.03912	1.3
132.04434	6.7
145.04953	1.3
147.04414	1.8
152.07045	0.4
160.03839	0.3
164.71754	0.3
178.04980	72.5
179.05339	1.8
206.04468	100.0
207.04813	3.0
218.11739	0.5
235.14462	0.4
235.64438	0.4
332.16827	0.4
350.18057	0.4
368.09653	0.8
368.28665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32737	0.6
53.03937	1.7
55.01855	2.2
55.05264	0.9
55.05510	15.7
55.53957	0.6
56.05021	1.2
56.96548	1.6
57.03425	2.8
58.06596	4.0
60.04523	15.8
65.03931	1.0
67.05498	12.8
69.03432	4.4
69.07066	11.2
69.53793	0.7
70.04076	1.0
70.06587	1.6
70.98145	1.5
71.04984	5.0
72.04515	1.3
72.08131	1.6
79.05491	11.7
79.68314	0.7
80.05003	1.2
81.03411	2.6
81.07052	14.5
83.04972	2.1
83.08614	8.3
84.08141	6.2
85.02904	1.1
85.06549	3.6
86.09702	20.7
88.07619	3.2
89.23701	0.7
91.05481	7.2
93.07045	11.4
94.06556	1.2
95.04965	6.1
95.08611	6.1
96.08130	2.4
97.02876	1.6
97.06526	3.1
97.10166	13.0
98.06863	0.9
98.09689	0.7
99.08078	1.2
100.07590	1.8
101.06001	0.8
105.07028	7.2
107.04954	3.2
107.08586	8.6
108.08101	1.0
109.06497	4.1
109.10158	4.0
110.06014	1.6
111.08083	1.6
112.07597	19.3
113.05982	2.3
114.09151	1.4
117.07039	3.4
119.04933	3.3
119.08564	3.4
121.06477	1.2
121.10138	7.3
122.09653	5.3
123.04440	2.6
123.08069	2.7
123.11681	1.0
124.07612	0.9
125.09624	9.8
128.10709	21.4
129.06941	1.6
130.08638	2.1
131.08582	3.3
132.08043	1.0
133.10106	2.7
135.08020	3.2
135.11670	2.5
137.05980	1.1
137.09599	2.5
137.81703	0.7
138.12767	2.4
143.08524	1.1
145.06586	1.1
145.10118	2.9
146.09564	0.8
146.14644	0.7
147.04417	4.2
147.11679	2.2
148.11212	2.2
149.02353	0.9
149.05946	0.8
149.09598	0.9
149.13303	1.3
153.09125	1.0
154.08643	7.1
154.12254	3.1
156.10193	0.9
159.11703	2.7
161.02385	1.2
161.09627	1.3
163.11156	0.8
171.10159	0.8
172.09695	10.1
172.13344	1.7
173.13231	0.9
175.03886	6.1
175.07535	0.8
177.12764	1.8
179.03380	2.1
180.03741	1.5
180.13832	11.4
186.98895	0.8
187.11172	1.5
189.11206	7.2
195.13776	1.1
196.13292	1.9
197.04512	1.0
198.04774	0.9
205.12297	1.0
207.06528	11.3
207.13849	0.7
207.15881	0.8
217.15935	1.1
221.15347	1.6
223.13307	3.7
233.08105	2.2
234.08438	3.3
236.16547	0.9
241.68378	0.7
249.09525	0.8
272.20044	1.4
273.18457	5.4
276.20432	0.8
280.13181	1.3
283.06000	1.4
290.21069	8.7
291.19421	5.9
295.09586	0.9
296.06464	0.8
298.04678	1.3
298.14316	1.3
308.22162	9.0
311.05420	1.2
312.06073	0.9
313.07056	4.7
314.07367	2.8
320.06146	1.0
332.22363	2.3
335.08643	1.0
338.07236	1.5
340.12735	1.1
348.10498	0.9
350.11005	2.0
350.16888	0.9
350.23288	18.4
351.08276	1.4
351.12125	0.9
351.23416	1.3
353.09689	1.3
368.12125	45.6
368.24307	100.0
369.08994	10.2
369.13165	3.6
369.24655	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	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96526	2.3
53.03939	5.3
55.01862	3.9
55.05507	27.9
56.45987	2.1
57.07061	9.7
57.63428	2.2
64.67527	2.2
65.03933	4.9
67.05502	43.2
68.91229	2.3
69.03421	5.7
69.07061	26.2
70.66504	5.2
70.66898	4.5
71.04977	7.6
71.08620	3.3
79.05485	29.4
81.07050	58.9
83.04975	7.1
83.08612	9.6
85.06537	4.0
91.05473	47.6
93.07038	81.3
95.04951	35.4
95.08597	66.4
96.63146	2.0
97.06519	14.8
103.05463	3.2
105.07023	90.7
107.08588	65.5
109.06512	13.2
109.10155	42.2
111.08085	5.5
115.05437	5.0
115.68707	2.0
116.06242	5.0
117.07013	17.0
119.08572	100.0
121.06508	10.8
121.10130	55.7
121.10996	2.3
123.04393	6.0
123.08041	8.2
123.11707	19.7
125.09736	2.6
128.06239	8.4
129.06993	16.6
130.07762	9.1
131.08574	57.1
133.10124	60.4
135.08064	18.8
135.11681	22.5
137.09624	7.1
137.13364	2.4
141.07024	6.6
142.07753	20.7
143.08556	35.9
144.09328	9.2
145.10110	70.8
146.07248	7.4
147.08029	12.5
147.11687	24.5
149.09621	22.4
149.13228	7.5
151.11179	3.1
153.06946	2.4
155.08566	11.6
156.09383	16.2
157.10112	59.2
158.10898	8.1
159.08015	4.2
159.11697	33.6
160.12550	3.3
161.09630	37.1
161.13216	9.1
163.11211	4.5
167.08556	6.2
168.09341	3.9
169.10107	15.0
170.10855	5.4
171.11658	26.2
172.12395	5.7
173.09604	10.0
173.13234	29.0
175.11235	8.3
175.14822	19.8
179.08574	7.0
179.14273	3.6
180.09285	3.4
181.10106	8.1
182.10855	7.1
183.11659	19.7
184.12427	5.9
185.09512	4.1
185.13251	18.4
187.11130	3.4
187.14767	17.7
189.12804	4.2
189.16324	3.0
191.14259	3.3
193.10146	6.3
194.10948	8.1
195.11687	13.3
196.12453	4.3
197.09491	3.0
197.13289	12.4
198.13911	2.9
199.11240	2.2
199.14713	16.7
201.12746	6.1
201.16362	6.7
207.11742	5.5
209.13257	26.8
211.14819	8.7
213.12762	5.6
213.16344	5.6
215.14201	2.8
221.13153	3.1
223.14754	6.3
225.16441	5.4
227.14278	26.3
229.15845	2.8
233.13316	2.9
237.16447	3.2
239.17906	9.0
241.19479	3.6
249.16315	2.9
251.17957	3.4
253.19569	2.9
255.17433	6.8
261.16357	3.9
265.19379	2.9
269.19028	5.2
331.26492	3.0
349.25323	10.5
367.11853	11.3
367.26239	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
53.67270	2.2
55.01869	15.7
55.05509	62.3
57.03432	6.8
58.20505	2.0
59.04992	3.1
62.34478	1.9
64.47168	1.8
65.03936	2.7
67.05500	65.1
69.03422	5.8
69.07075	15.8
70.70378	6.2
70.70768	2.8
71.04987	6.9
77.03951	2.2
79.05491	100.0
81.03410	4.3
81.07049	51.2
83.04980	32.9
83.08623	16.5
85.06535	4.7
85.14919	1.9
91.05476	48.3
91.50404	2.2
93.07044	57.6
95.04976	14.4
95.08595	24.0
97.06526	8.8
97.09596	3.1
97.10167	22.7
105.07022	47.8
107.04954	38.6
107.08587	77.8
109.02859	5.2
109.06509	7.3
109.10141	26.9
111.04451	2.6
111.08084	3.3
115.05411	3.0
117.07020	13.7
119.08585	36.4
121.06483	3.4
121.10128	20.6
123.04425	33.8
123.08090	3.6
123.11705	9.4
125.09626	25.8
129.07021	4.0
131.08557	19.5
133.10120	29.2
135.08078	12.6
135.11687	7.7
137.05898	1.9
137.09657	3.5
141.07048	2.0
143.08556	3.3
145.10112	19.3
147.11650	21.7
149.09612	89.7
149.13200	2.9
150.09990	2.4
153.09128	6.5
157.10110	5.4
159.07996	2.8
159.11697	13.0
161.09616	2.6
161.13235	5.9
163.11151	4.2
163.14813	5.2
167.10645	2.4
169.10143	3.3
169.12291	7.5
171.11661	4.7
173.11719	7.9
173.13271	9.4
177.12694	2.6
183.11681	3.3
185.13306	3.9
187.11195	3.9
187.13254	4.0
189.09525	3.0
189.11188	21.3
191.14383	3.3
195.02869	13.2
197.13257	4.1
201.12740	2.9
203.03467	2.7
203.07080	2.3
209.15350	10.4
227.12810	8.9
229.19545	8.5
233.15314	3.0
239.17966	6.0
245.08107	16.9
245.13875	8.4
247.20691	4.5
257.18997	20.1
275.20050	95.2
276.20346	2.5
283.05783	2.8
293.04431	22.3
311.05484	37.1
312.05786	3.1
313.07031	2.4
325.07043	2.3
346.16312	2.8
349.10739	21.2
349.23724	92.0
349.28055	4.9
350.11124	3.5
352.09274	2.6
367.08429	2.3
367.11725	47.4
367.15860	4.2
367.25882	3.6
368.11948	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31811	1.8
53.03940	4.7
55.01867	15.3
55.05503	27.1
56.09908	1.8
56.41624	2.0
57.03431	16.9
57.07068	2.0
59.04999	4.5
63.33985	1.7
65.03929	4.1
67.05495	51.9
68.99784	2.1
69.03420	12.3
69.07059	37.6
70.04093	4.1
70.06600	2.5
70.79603	5.0
70.79939	1.8
71.04985	9.5
74.40133	1.7
79.05482	44.3
81.03400	8.1
81.07047	100.0
83.04964	13.8
83.08605	15.6
85.02905	3.2
85.06525	9.8
88.07645	3.2
91.05470	34.9
93.07032	39.5
95.04965	18.2
95.08594	48.4
97.02869	7.0
97.06522	29.3
97.10160	9.1
99.04477	2.1
99.08058	4.2
101.05982	2.3
103.05444	3.1
103.80492	1.9
105.07018	43.1
107.04946	13.1
107.08585	40.0
109.02892	3.3
109.06511	15.7
109.10144	26.4
111.08078	6.8
113.05987	2.6
117.07005	9.1
119.04897	3.3
119.08569	33.5
121.02802	2.5
121.06516	7.6
121.10117	27.4
123.04397	19.6
123.08028	11.4
123.11707	10.4
125.09610	10.6
127.03892	2.3
129.05461	3.0
129.06996	6.0
131.08562	22.2
133.06479	2.8
133.10109	27.3
135.08102	9.7
135.08992	2.3
135.11665	11.4
137.02318	33.1
137.05991	2.9
137.09616	6.6
143.08546	6.3
145.06471	4.2
145.10114	20.0
147.04408	7.1
147.07999	2.4
147.11679	21.6
149.02312	9.4
149.05975	4.3
149.09618	16.3
149.13222	10.8
150.02702	5.7
151.07465	2.5
151.11185	5.3
155.08607	2.2
157.06464	3.7
157.10126	8.0
159.08029	3.3
159.11682	17.7
161.05920	3.5
161.09637	3.9
161.13246	6.7
163.11130	9.7
163.14801	4.2
165.05504	3.0
165.06949	2.9
165.09100	2.3
165.12781	4.8
167.03362	3.8
167.10712	2.0
169.10072	3.5
171.11661	6.2
173.05995	3.5
173.09543	2.6
173.11816	3.0
173.13252	8.5
175.11148	4.3
175.14888	2.6
176.01060	2.7
177.09138	2.3
177.12749	3.9
181.06422	2.7
185.13220	3.0
187.11240	3.1
189.09131	3.0
189.11177	2.9
189.12741	4.9
191.14252	3.0
193.04958	7.6
193.12297	3.1
194.02074	4.5
194.05321	9.2
195.13640	2.4
197.13242	3.0
199.07559	5.7
199.14734	2.7
200.20164	3.3
201.16406	2.2
201.20471	6.3
203.03529	2.7
207.13724	2.8
211.07448	2.7
213.05513	5.0
213.16394	2.4
215.07013	3.0
215.17961	3.0
217.15933	2.5
219.17564	2.9
227.06956	3.2
229.19495	5.0
231.10262	2.4
237.05492	4.1
239.07111	3.5
239.17906	8.0
245.08095	5.4
245.13757	2.4
247.20584	6.4
255.06596	3.4
257.19086	10.3
266.05606	2.5
267.06546	9.1
270.05316	3.1
271.05951	25.4
275.20032	79.3
276.20270	3.4
279.06564	3.9
281.04547	2.6
281.07794	2.2
283.06061	8.1
293.04459	4.6
293.21106	4.7
295.06036	6.7
297.04434	3.2
297.07419	12.3
305.07928	2.6
311.05432	12.4
313.21277	2.1
317.07751	2.9
321.11182	3.8
323.09167	14.3
324.09644	2.7
325.07031	3.0
331.09433	3.7
331.22592	5.7
334.08252	2.7
335.08923	3.4
337.07178	2.8
339.08560	2.9
339.12274	5.5
349.07068	3.3
349.10657	21.5
349.23682	36.4
349.27515	3.6
350.11017	2.5
367.07956	25.0
367.11713	87.4
367.24896	42.4
368.08032	4.1
368.12201	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04576	1.1
53.03937	1.9
55.01880	5.5
55.05504	18.9
55.45118	0.9
56.43966	0.9
56.96561	1.0
57.03431	6.9
61.02917	1.5
67.05500	20.6
67.97459	1.2
69.03432	3.7
69.07063	20.5
69.94941	5.8
71.04984	3.0
71.08626	24.0
73.06549	1.1
78.18629	1.0
79.05486	17.9
81.03415	2.9
81.07048	25.0
83.04985	5.8
83.08613	6.6
85.02911	3.1
85.06537	2.4
91.03958	2.3
91.05470	15.7
93.07040	19.0
95.04955	6.1
95.08603	14.7
97.02871	1.5
97.06523	4.4
97.10141	8.4
98.07959	1.0
99.08083	17.0
105.07028	14.3
107.04959	3.1
107.08586	13.5
109.06512	3.1
109.10149	9.1
111.04412	1.8
111.08060	2.0
117.06995	4.9
119.08562	9.2
121.02825	1.6
121.06512	5.0
121.10152	6.4
123.04414	1.8
123.08042	3.2
125.09636	5.5
129.07036	1.9
131.08562	6.5
133.10123	9.1
135.08051	3.5
135.11720	4.3
137.09608	2.3
137.98677	1.0
139.11171	2.7
143.08568	2.8
145.10048	5.2
147.11702	3.1
149.09648	3.2
149.13229	3.9
151.11198	3.6
153.09103	1.3
153.12729	1.2
159.11678	3.2
161.13284	1.5
163.11235	3.3
167.10715	2.5
171.11659	1.6
173.13292	2.6
177.12799	3.9
189.11272	3.8
195.02942	3.2
195.13855	1.2
201.16504	1.5
219.17407	19.4
223.20578	1.2
227.12749	1.8
247.20573	2.5
257.18982	1.9
275.20038	15.4
293.21082	100.0
294.21399	4.2
295.06055	4.2
309.07156	1.4
311.05429	16.3
312.05786	1.8
313.07239	1.7
325.07095	2.1
337.07037	8.4
338.07327	2.0
339.08478	1.4
349.10794	4.7
349.23758	10.7
350.27258	1.7
352.09528	1.3
367.08127	2.5
367.11795	38.6
367.24835	51.8
368.11844	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.7
53.51509	3.1
55.01863	26.7
55.05510	30.9
57.02071	2.7
57.03423	5.2
57.07070	4.3
65.03921	3.7
67.05162	5.0
67.05502	54.1
69.00357	2.7
69.03423	4.0
69.06712	3.9
69.07063	43.6
71.04985	3.2
79.05064	3.5
79.05492	49.5
81.03416	14.2
81.07050	69.2
83.04998	16.6
83.08603	15.2
85.06536	8.0
91.04956	4.4
91.05475	50.1
93.07040	45.1
95.01299	7.3
95.04964	16.0
95.08600	41.6
97.06531	53.4
97.10166	8.6
105.07027	70.7
107.04952	23.6
107.08593	31.7
109.06499	6.5
109.10160	20.8
111.08054	5.4
117.07007	20.1
119.08570	43.8
120.70969	3.1
121.02884	3.3
121.06489	9.6
121.10124	15.5
123.04453	3.4
123.08047	11.0
123.11723	3.2
125.09634	10.9
127.87963	2.9
129.06947	4.1
131.08554	25.2
131.82257	2.7
133.10118	46.3
135.08018	9.1
135.11670	9.6
137.09590	4.5
139.07574	4.0
141.06955	4.0
143.08586	6.0
145.06505	3.5
145.10117	20.5
147.07878	2.9
147.11668	21.3
149.09608	22.1
149.13269	7.0
151.11113	4.9
157.10150	5.6
159.11687	13.3
161.13229	5.8
163.11148	8.1
169.10074	4.6
171.11699	3.3
173.13248	4.5
177.12805	5.6
179.14249	15.0
187.11171	3.4
189.11153	5.4
219.17282	3.7
239.17799	3.3
247.20551	7.9
257.19003	12.9
275.20059	100.0
276.20258	3.8
283.06100	3.7
293.04303	7.0
293.21158	5.8
295.06192	4.5
297.17139	3.8
304.46368	3.5
311.05539	21.7
312.06125	4.1
313.06686	4.3
335.09131	4.8
337.07019	3.6
347.35443	2.9
349.23706	84.5
350.24060	4.0
367.07907	4.6
367.11792	52.0
367.24750	12.2
367.29294	3.5
368.12061	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01871	1.5
55.05505	3.2
57.03431	6.7
57.07058	0.5
57.13860	0.4
59.04982	0.4
62.99674	0.4
65.03928	0.6
67.05497	8.4
69.03414	1.6
69.07058	3.7
70.04070	100.0
70.06545	0.5
71.03782	2.4
71.04391	4.8
71.04989	1.5
71.08616	0.4
71.62871	0.8
72.08164	0.6
79.05483	8.2
81.03428	0.5
81.07047	12.9
81.07513	0.8
83.04971	1.3
83.08602	2.7
85.02869	0.7
85.06548	1.8
91.05470	10.7
93.07029	11.1
95.04957	2.3
95.08595	9.7
95.09158	0.8
97.02887	1.0
97.06512	3.3
97.10165	1.5
99.08088	0.8
105.07018	10.3
107.01292	0.6
107.04935	1.6
107.08578	9.0
109.06516	5.0
109.10138	4.4
110.90920	0.4
111.08073	2.0
111.97102	0.5
113.05996	0.6
117.06997	3.7
119.04951	0.7
119.08575	9.0
121.02912	0.6
121.06509	2.0
121.10127	5.2
123.04404	1.2
123.08083	1.9
123.11687	1.3
125.09641	1.3
129.07004	2.2
131.07043	1.1
131.08554	6.7
133.10118	5.5
135.08063	1.9
135.11665	2.6
137.09593	1.0
139.07515	0.5
141.00975	0.9
142.98920	1.3
143.00816	0.5
143.08548	2.2
144.98688	0.5
145.10121	6.1
147.04448	1.2
147.08032	0.9
147.11685	4.9
149.09601	3.7
149.13260	1.7
151.11206	1.0
155.08575	0.9
157.10130	1.3
159.11679	7.0
161.09547	0.9
161.13274	2.0
163.11180	1.9
163.14882	0.7
169.10150	1.0
171.11678	1.5
173.06039	0.5
173.13168	2.6
175.03918	1.3
175.14827	1.4
177.12672	0.5
179.10652	0.5
183.11726	1.0
185.13260	5.3
187.14790	1.1
189.16307	0.5
191.14420	0.8
193.08516	0.4
197.13316	1.2
201.12920	0.5
201.16394	1.8
203.03386	0.9
203.14304	4.5
205.12230	0.5
207.06517	1.8
211.14899	0.6
215.18185	0.5
219.17415	7.7
239.17979	2.2
247.20709	0.5
257.18985	5.2
265.21567	0.6
267.06622	0.5
275.20038	17.3
276.20572	1.0
277.18289	0.4
277.21793	0.8
279.19803	0.5
281.08200	0.5
293.21069	1.7
295.05884	0.5
297.07523	1.0
298.04800	1.4
299.00479	0.6
309.07492	1.0
313.06937	1.6
313.21713	0.8
325.07120	1.0
331.22488	1.0
335.08630	0.6
336.05978	0.6
337.07080	1.7
338.07776	0.5
349.10522	1.5
349.23718	13.4
352.09384	1.8
367.04785	4.2
367.11752	20.5
367.15295	1.0
367.20422	3.5
367.24835	6.6
368.03812	8.4
368.11972	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17566	1.3
53.03938	6.4
55.01864	5.2
55.05508	19.6
56.96560	4.2
57.03431	28.3
57.07077	2.4
65.03929	4.4
67.05499	54.4
69.03427	6.9
69.07064	20.4
70.04060	2.5
71.04990	18.4
72.27905	1.3
79.05487	54.0
81.03413	7.1
81.07051	98.5
82.07375	2.4
83.04967	6.9
83.08628	8.1
85.06525	10.0
89.06009	9.5
91.05476	41.2
93.07037	57.0
95.04961	14.4
95.08603	63.7
97.02879	2.8
97.06518	15.5
97.10181	5.6
99.08089	3.3
105.07024	44.9
107.04948	7.6
107.08585	40.3
109.02838	1.3
109.06504	10.2
109.10149	22.5
111.08092	5.6
113.06067	2.0
115.05436	1.7
115.07536	2.7
117.07024	14.4
118.04230	1.7
119.04977	3.2
119.08566	31.6
121.02859	7.8
121.06498	3.8
121.10132	25.2
123.04430	11.0
123.08063	6.8
123.11723	6.5
125.09663	4.0
127.04015	1.5
128.06224	2.1
129.05481	2.0
129.06999	4.9
130.07770	2.0
131.08557	24.2
133.06555	1.8
133.10130	20.8
135.08052	4.3
135.10767	1.7
135.11667	8.4
137.05968	2.0
137.09608	4.0
137.13281	2.4
139.03922	1.6
139.11246	1.8
141.07059	1.7
143.08557	6.3
145.06419	2.4
145.08780	2.8
145.10118	22.9
147.04430	3.0
147.08046	4.7
147.11674	14.2
149.02333	2.0
149.09590	7.6
149.13272	4.2
151.11169	2.6
153.01790	2.3
153.06984	1.8
155.08617	2.5
157.10127	6.1
159.08038	3.0
159.11674	14.5
161.09587	3.9
161.13268	7.7
163.11224	5.9
163.14830	3.8
165.06981	3.1
165.12740	2.1
169.10185	3.2
171.11650	3.7
173.06013	2.6
173.13286	9.0
175.07520	3.6
175.11192	2.1
175.14832	4.9
177.05489	3.8
177.12785	3.5
177.16394	3.0
183.11713	2.9
185.13292	7.5
187.14810	19.0
189.05536	2.1
189.12730	1.7
189.16458	1.6
197.13222	1.8
199.07590	3.1
199.14793	3.4
201.12689	2.5
201.16393	3.0
203.07184	2.1
203.14354	7.8
205.15866	14.2
211.07558	5.1
211.14958	2.7
213.05429	1.7
213.09256	2.1
216.04251	2.4
217.07364	2.0
219.17509	3.9
223.16962	2.0
227.07095	2.2
229.14407	1.9
229.19534	2.7
231.06645	1.7
231.08911	2.2
233.08107	1.7
235.16818	2.0
239.07014	5.1
239.17953	4.1
244.24742	1.6
245.08096	5.3
257.19012	9.4
261.18481	2.8
265.18521	1.6
267.06516	46.3
267.09412	2.2
268.06818	4.4
269.10574	7.1
275.20047	28.2
277.08487	2.4
279.19534	28.5
281.04459	4.5
281.17654	1.7
282.05167	1.8
283.06091	2.0
285.07553	1.8
287.11624	5.4
290.09387	2.2
291.06638	2.2
291.19571	3.1
293.21198	2.8
295.06088	2.0
297.07565	100.0
298.08035	7.3
305.08038	3.5
306.08850	3.4
307.09280	3.1
309.07489	3.5
311.05371	6.1
313.06992	1.9
316.07339	2.4
317.07916	1.7
321.07559	1.8
321.11203	7.0
322.11407	1.7
323.09073	4.6
325.06891	2.4
331.09674	4.6
331.15591	2.3
331.22638	5.8
333.07208	2.0
334.08463	8.1
335.09024	2.1
337.07031	2.4
339.12183	14.4
340.12573	2.1
349.10693	76.6
349.17175	3.6
349.23697	29.0
350.11029	12.0
352.09323	2.3
367.08057	6.5
367.11710	80.4
367.17773	15.7
367.24741	35.2
367.29300	1.7
368.11923	10.1
368.24997	2.5
385.18973	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00326	1.4
53.03939	4.3
55.01877	10.8
55.05255	1.9
55.05508	23.1
57.03178	1.9
57.03432	22.6
57.07058	2.0
59.05005	8.0
65.03925	3.5
67.05498	64.0
69.03428	6.7
69.06715	2.7
69.07064	35.0
69.90316	7.4
71.04984	4.3
71.08615	1.3
72.77518	1.4
79.05486	45.9
81.03416	6.3
81.07050	100.0
83.04966	10.1
83.08607	15.3
85.06521	7.0
85.66264	1.3
91.05473	36.4
93.07037	43.5
93.36066	1.4
95.04969	13.3
95.08598	43.7
97.02899	1.7
97.06522	17.2
97.10155	5.3
98.20864	1.6
99.08083	3.7
100.61478	1.3
105.07021	38.6
107.04952	8.2
107.08580	38.8
109.06500	11.5
109.10146	21.4
111.08080	6.6
117.07036	10.5
117.09137	2.4
119.04993	1.6
119.08570	32.6
121.06491	5.9
121.10130	19.3
123.04398	4.9
123.08028	7.5
123.11678	13.6
125.09592	7.5
128.06224	2.0
129.05467	3.3
129.06981	5.2
131.08556	20.1
133.10109	29.5
135.08040	4.0
135.11690	11.6
137.02325	64.2
137.09604	4.9
137.13277	2.9
138.02690	2.8
141.06990	1.8
143.08524	4.1
145.10104	20.5
147.04399	4.6
147.08044	3.5
147.11678	25.6
149.06007	1.8
149.09613	13.2
149.13242	10.2
151.11206	4.9
153.01808	3.6
155.08530	1.6
157.10106	4.9
159.11678	12.9
161.05925	3.2
161.09570	2.9
161.13231	6.9
163.11176	8.4
165.12744	7.0
169.10112	2.6
171.10239	2.9
171.11699	5.8
173.06084	3.1
173.09679	1.6
173.11801	3.1
173.13274	5.2
175.11230	2.8
175.14804	1.8
177.12740	5.8
179.03416	2.0
179.14259	2.1
181.06473	1.7
183.11652	4.2
187.11212	1.6
187.14804	2.1
189.11182	2.8
189.12730	2.3
195.13805	5.3
196.09979	1.3
197.13286	3.3
198.70303	1.3
199.07594	1.6
199.14838	1.8
201.16313	2.2
207.13811	2.2
212.64461	1.3
213.08951	1.3
213.16478	2.2
215.17967	1.7
219.13943	1.6
225.59396	1.4
229.19482	5.3
237.75952	1.4
239.17940	5.6
247.20544	6.0
249.05637	1.4
251.20049	1.6
257.19037	13.4
267.06625	1.5
269.17514	4.0
271.05951	8.5
275.20044	66.9
276.20447	2.3
277.08444	1.5
281.04572	2.2
282.05261	2.5
283.06213	1.7
293.08167	1.7
293.20926	8.5
295.05978	8.8
295.09213	2.5
297.03983	1.7
303.10190	2.3
305.08240	2.0
307.06018	2.9
308.06680	1.9
309.20926	1.5
310.08389	1.9
311.05606	2.7
313.06998	1.5
321.11160	1.8
323.09039	9.8
324.09546	1.9
331.09576	3.2
331.22690	3.9
338.07684	1.5
339.11932	2.0
349.10599	8.9
349.19742	1.9
349.23666	27.1
349.27560	2.3
350.10849	2.0
350.14914	1.5
367.08047	3.1
367.11740	59.1
367.21024	5.8
367.24786	65.3
367.29382	3.2
368.11908	7.1
368.25098	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.3
55.05259	1.0
55.05508	11.1
57.03436	12.1
57.07080	1.2
65.03939	1.0
65.88168	0.9
67.05500	17.8
68.99785	0.8
69.03412	1.1
69.07062	8.9
71.04977	3.5
71.61861	1.1
72.99625	0.9
79.05486	17.4
81.03401	2.6
81.07051	23.3
83.04979	4.6
83.08624	5.1
85.02870	1.4
85.06535	3.1
91.05475	22.3
93.07034	18.8
95.04967	6.3
95.08596	16.2
97.06532	6.4
97.10149	2.4
99.04470	1.3
99.08078	1.8
105.07024	23.5
107.04942	4.5
107.08578	15.0
109.06493	4.4
109.10137	7.5
109.49207	0.8
111.04417	0.9
111.08061	2.3
117.07001	8.1
119.08568	18.4
121.02934	1.2
121.06485	2.6
121.10136	8.8
123.04408	3.0
123.08054	3.1
123.11714	2.1
125.09624	3.1
128.06203	1.1
129.06992	5.9
131.07030	3.2
131.08571	11.1
133.10117	13.3
134.03633	2.0
135.04430	0.9
135.08038	2.1
135.11659	3.9
137.02362	3.5
137.09599	1.9
141.07016	1.1
143.08563	6.6
144.38437	0.9
145.06442	1.6
145.10120	12.6
147.04462	1.4
147.08064	1.6
147.11667	7.2
149.02301	1.9
149.09605	10.0
149.13260	1.2
151.11115	1.5
155.08466	1.6
157.10132	4.8
159.08017	1.4
159.11679	15.7
161.02383	1.6
161.09627	1.8
161.13234	3.3
163.11168	3.7
165.09102	0.9
167.03331	1.3
169.10110	1.8
171.10263	1.3
171.11705	2.0
173.11945	1.1
173.13199	5.7
175.03780	1.0
175.11113	1.2
175.14795	1.9
177.12758	1.8
179.03377	4.2
183.11717	3.2
185.13245	12.4
187.11180	1.1
189.11203	2.0
191.03439	1.3
191.14322	1.3
197.04390	2.0
197.13248	2.1
199.14871	1.2
201.16362	3.0
203.14261	8.4
205.08565	1.3
205.15855	1.1
213.05499	7.7
214.06184	1.5
215.07028	1.5
219.17426	19.5
223.13338	1.9
225.05437	2.0
227.12715	1.1
229.19440	1.6
233.08015	5.1
239.06946	1.5
239.17949	4.3
241.04938	3.7
243.06471	0.9
253.04930	2.2
257.18979	13.4
267.06558	4.3
269.04440	4.1
269.17377	1.6
270.05161	4.5
271.05972	4.5
275.20053	39.9
276.20404	1.7
281.04483	8.5
282.04898	1.5
283.05893	1.7
293.21219	5.2
295.06049	2.8
295.19165	1.8
297.07501	0.9
307.09433	1.0
311.05402	2.1
313.07016	4.5
317.08279	1.5
319.06116	1.2
323.09061	5.9
325.06900	1.8
331.09790	1.4
335.08905	1.0
337.07126	2.3
338.07895	1.5
349.10699	4.9
349.19684	1.9
349.23718	25.2
350.23911	1.2
352.09360	1.7
367.11737	100.0
367.24622	11.2
368.12198	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
53.23699	0.8
55.01867	7.0
55.05505	13.2
57.03431	20.1
57.07058	1.6
57.55810	0.7
59.04991	1.3
65.03937	1.3
67.05497	29.5
69.03421	2.5
69.07061	15.0
69.78442	4.8
71.04987	4.9
76.75761	0.7
79.05482	27.7
80.05803	0.9
81.03402	1.8
81.07046	33.0
83.04971	3.1
83.08596	8.2
85.06534	5.7
90.86349	0.8
91.05472	33.3
93.07029	33.6
94.07388	1.1
95.04949	7.4
95.08597	27.7
97.02858	1.4
97.06511	11.1
97.10162	4.6
99.04412	0.8
99.08073	2.7
105.07017	35.6
107.04934	5.9
107.08578	24.7
109.06503	8.8
109.10133	10.3
111.08068	2.2
113.05991	1.5
113.09641	0.9
115.05447	0.9
117.06998	12.7
119.08566	26.5
121.02887	1.2
121.06488	4.1
121.10115	10.6
121.10899	0.9
123.04407	3.9
123.08035	5.3
123.11695	2.5
124.70438	0.8
125.09624	3.6
128.06218	2.1
129.07004	7.6
130.07805	1.0
130.30486	0.8
131.07088	4.9
131.08554	19.6
133.06503	1.0
133.10109	17.3
133.28172	0.7
134.10416	0.8
135.04453	1.3
135.08020	4.3
135.11681	7.0
137.02325	1.6
137.05971	3.5
137.09618	3.2
139.07542	0.6
141.07002	1.6
142.07788	1.1
143.08540	9.1
145.06480	2.2
145.08792	1.0
145.10091	18.4
147.04402	1.1
147.08023	1.6
147.11687	13.6
149.05908	1.0
149.09587	12.3
149.13239	2.2
151.07506	1.5
151.11162	2.9
155.08568	2.3
156.09273	0.9
157.06480	1.1
157.10106	5.2
159.04375	1.0
159.08046	0.8
159.11674	19.4
160.12128	0.9
161.02353	1.0
161.09624	2.9
161.13222	7.5
163.03900	0.7
163.11172	6.0
163.14796	1.4
165.12776	1.9
169.10110	1.7
171.08109	1.2
171.10321	1.3
171.11681	3.3
173.09546	1.0
173.13226	8.2
175.11147	1.6
175.14799	4.3
177.12747	2.7
183.11708	4.4
185.13228	17.6
187.11133	1.4
187.14803	2.9
189.11192	4.1
189.12677	0.9
189.16405	1.4
191.14313	2.7
197.13254	2.9
199.14723	0.8
201.05498	1.0
201.12733	1.3
201.16417	6.5
203.03470	1.1
203.14282	13.4
205.15871	2.7
211.11208	0.9
211.14832	1.7
213.05377	4.1
215.06973	1.2
215.17764	0.9
217.15889	0.9
219.17419	19.2
220.17915	0.8
221.04448	2.1
225.05450	2.7
227.12735	1.1
229.19530	3.0
231.06425	1.0
237.05589	1.4
239.06982	1.9
239.17932	8.4
241.04980	3.5
245.13678	0.8
247.20563	1.3
251.07042	1.6
253.04840	1.6
257.18967	16.4
267.06406	5.1
267.15903	1.2
268.07190	1.1
269.04465	2.2
270.05096	1.4
271.06046	3.5
275.20023	53.5
276.20392	2.4
277.17969	1.6
279.06656	1.1
279.19745	0.9
281.04456	13.8
281.07776	1.8
282.04990	1.1
283.05887	4.8
293.04599	1.2
293.07886	1.5
293.20935	5.5
295.06027	3.6
295.09622	2.2
297.04156	0.9
297.07501	1.5
298.04663	4.7
299.05414	1.1
306.08688	0.8
309.04254	1.2
309.07446	5.0
310.04675	1.9
311.05505	4.1
311.08820	1.0
311.22253	1.2
313.07028	9.6
314.07159	1.0
321.07214	1.3
323.05670	1.2
323.09036	6.1
325.07111	4.1
331.22678	2.2
334.08371	1.5
336.05841	0.8
337.07010	7.8
338.07602	1.7
349.10706	5.7
349.23715	43.1
350.23956	2.4
351.08578	1.2
352.05405	1.2
352.09335	7.2
367.08350	5.4
367.11755	100.0
367.24460	13.0
367.28397	8.0
368.07935	1.3
368.12097	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01861	7.9
55.05260	2.7
55.05508	43.3
55.32770	2.1
56.96566	3.1
57.03437	19.6
57.07066	2.8
67.05499	41.4
69.03416	4.2
69.07063	17.7
70.78014	7.8
71.04992	4.6
71.08627	49.3
79.05065	3.0
79.05495	33.7
81.03401	7.4
81.07042	36.5
83.04961	6.7
83.08605	15.2
85.06509	2.8
88.21524	2.1
91.05475	19.9
93.07033	22.0
95.04958	17.7
95.08601	26.5
97.06514	7.2
97.10155	22.1
99.08089	35.7
105.07017	17.8
107.04935	6.3
107.08600	22.3
109.06521	6.8
109.10144	17.5
111.08062	3.1
117.07008	7.0
119.08546	11.3
121.06500	3.7
121.10128	9.4
123.04414	5.6
123.08067	5.1
123.11649	4.9
125.09633	23.3
131.08513	9.6
133.10104	7.8
135.08014	6.0
135.11699	5.7
139.11215	4.5
145.06526	2.3
145.10121	6.4
147.11697	4.6
149.09607	5.0
149.13248	4.8
151.11168	5.0
157.10094	3.5
159.11710	7.2
163.07491	6.5
163.11235	3.2
165.12749	5.4
173.13235	2.6
175.11107	3.4
177.12718	2.5
189.11234	15.9
193.12221	3.3
201.16499	2.8
247.20450	3.7
267.15875	3.7
275.20020	24.8
281.04367	2.9
283.06061	2.7
293.21109	100.0
294.21350	3.3
295.05969	4.6
296.06744	2.6
311.05429	6.1
313.06857	3.1
349.10706	3.7
352.09293	4.1
367.08081	4.6
367.11804	39.2
367.19913	3.1
367.24924	37.9
368.12100	5.6
375.81128	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	367.2476
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03932	1.7
55.01863	4.0
55.05503	16.0
56.40837	1.1
57.03426	5.3
57.07082	1.6
65.03918	1.5
67.05168	1.5
67.05502	20.8
69.03407	2.2
69.07057	13.2
70.27401	1.1
71.04977	2.1
71.08613	4.8
79.05484	15.6
81.03382	2.3
81.06572	1.8
81.07047	29.9
82.07423	1.2
83.04987	7.8
83.08611	5.1
84.08102	1.0
85.06547	1.3
90.75905	1.1
91.05469	16.8
93.07030	26.9
94.07298	1.0
95.04971	8.6
95.08601	15.2
97.06509	4.2
97.10152	2.7
99.08065	4.0
99.30663	1.0
100.45995	1.1
103.05434	1.3
105.07019	23.7
107.04956	6.2
107.08582	17.9
109.06519	9.7
109.10136	7.6
111.08092	1.7
117.06995	5.8
119.08562	14.1
119.99868	1.0
121.06487	9.5
121.10106	11.6
123.04427	3.3
123.08092	5.5
123.11663	3.2
125.09639	2.9
129.06960	2.1
131.08557	18.2
132.08914	1.3
133.06467	3.5
133.10112	14.6
135.08058	5.0
135.11639	5.4
137.05991	1.2
137.09592	2.5
139.11147	2.5
141.06996	1.7
143.08557	2.9
145.10133	11.0
147.08054	3.7
147.11670	10.6
149.09622	6.8
149.13184	3.5
151.11166	4.9
155.08522	1.7
156.13742	1.1
157.10106	3.1
159.08025	2.3
159.11688	9.2
161.09634	4.7
161.13231	3.4
163.11174	5.2
169.10156	2.2
171.11647	2.7
173.09589	1.4
173.13257	5.1
175.11220	2.5
183.11684	3.6
187.11177	2.2
187.14755	1.9
191.14316	2.1
197.13237	2.2
199.41701	1.0
201.12750	3.0
207.13766	3.3
215.14325	1.7
215.18001	2.4
219.13712	1.3
229.19424	2.4
237.14812	1.9
239.17941	4.4
246.01273	1.0
247.20583	3.1
257.19055	11.3
275.20038	100.0
276.20413	4.1
276.25549	1.3
283.06046	2.2
293.21066	14.7
295.05841	1.6
311.05377	1.6
311.12643	1.9
313.07092	1.4
323.09189	1.8
334.08279	2.8
339.08566	1.5
339.12347	2.7
349.10712	13.4
349.23718	46.0
350.23853	2.6
367.08032	2.0
367.11777	21.3
367.15921	1.7
367.24728	25.6
367.29276	1.7
368.12045	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
51.84711	1.1
53.03933	4.8
55.01867	19.3
55.05505	28.1
57.03433	17.5
57.07069	2.4
57.45268	1.0
65.03924	3.7
67.05497	58.2
69.03417	8.4
69.06718	1.6
69.07063	22.9
70.25224	4.6
71.04984	5.2
73.06516	1.2
79.05485	55.6
81.03411	4.7
81.07047	100.0
82.07423	1.2
83.04984	10.7
83.08607	14.1
85.02882	1.6
85.06528	5.2
86.40646	1.0
87.04435	1.0
91.05470	50.7
93.07035	48.1
93.07526	0.8
94.07394	1.3
95.04962	11.6
95.08597	40.8
97.02872	2.1
97.06515	18.4
97.10162	8.0
98.20843	1.4
99.08088	3.3
103.03960	1.5
103.05457	1.6
105.07021	46.8
107.04940	12.3
107.08584	36.9
107.09240	0.7
109.06502	13.1
109.10145	23.1
110.06685	1.1
111.08059	5.3
113.05966	1.8
115.05444	1.3
116.37810	1.1
117.06982	14.8
119.08566	40.2
121.06502	6.0
121.10138	18.7
123.04476	1.4
123.08083	8.6
123.11702	9.2
125.09594	6.7
127.07567	2.0
128.06204	1.9
129.06973	6.8
131.08556	20.7
133.06479	1.7
133.09111	1.5
133.10110	30.1
135.04416	1.2
135.08037	8.2
135.11665	10.9
137.09598	7.9
137.13228	2.2
139.11159	1.4
139.34248	1.2
142.07816	1.6
143.08540	3.0
145.06444	1.9
145.10106	20.8
147.08081	1.2
147.11682	22.0
149.05957	1.3
149.09607	17.2
149.13211	7.7
151.03987	1.5
151.11177	7.8
155.08568	2.6
157.10136	7.4
157.29051	1.4
159.08034	2.2
159.11659	14.6
161.09663	3.7
161.13240	7.2
161.14401	1.2
163.11156	8.4
163.14790	2.3
165.09138	1.4
165.12694	6.1
169.10112	2.9
171.10284	1.9
171.11676	3.7
173.11856	1.9
173.13228	8.7
175.11185	4.0
177.12730	3.8
179.14319	2.5
183.11627	2.8
185.13254	2.6
187.11258	1.8
187.14806	1.7
189.11230	4.8
189.12733	1.3
189.16322	1.8
191.10709	2.0
191.14317	2.0
193.12218	2.2
195.13870	2.3
197.13306	2.5
199.14842	1.4
205.12357	1.4
213.05583	2.6
215.17902	1.7
219.17471	1.6
221.04482	1.6
227.12825	4.8
229.19504	4.7
233.19017	1.5
235.16934	3.3
236.03146	2.0
237.05301	1.9
239.17952	5.2
247.20518	6.6
251.20030	2.5
253.04976	1.5
253.17921	1.3
257.18988	12.1
263.20227	1.6
265.21677	2.1
267.15799	1.6
269.17514	5.6
270.05280	1.4
275.20035	79.0
276.20380	2.1
281.04556	2.6
293.21112	4.2
295.05988	4.5
298.04718	2.6
307.06229	2.0
309.07626	3.3
310.04684	2.1
311.05362	1.5
313.06992	5.8
325.07187	6.1
331.09738	2.0
331.22705	1.8
334.08255	2.7
335.09122	1.3
337.07007	7.1
338.07608	2.2
349.10785	10.1
349.23694	34.4
350.11206	1.4
350.24088	2.2
352.09354	8.2
367.08008	7.7
367.11801	68.4
367.24756	47.6
368.12140	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01662	1.4
55.01874	16.1
55.05504	20.3
57.03181	1.5
57.03434	15.1
57.07062	1.9
65.03922	1.5
67.05501	50.1
69.03416	5.7
69.06712	2.1
69.07060	26.8
69.56364	3.7
69.56790	8.0
71.04976	3.9
74.46881	1.3
79.05483	36.8
81.03420	4.4
81.07051	69.6
83.04976	7.9
83.08604	11.6
85.06534	4.5
91.05476	33.2
91.25984	1.1
93.07035	32.7
95.04965	10.1
95.08598	34.4
97.06528	17.6
97.10162	7.0
97.89839	1.2
99.08086	2.8
105.07024	36.2
107.04937	9.6
107.07860	1.7
107.08584	33.6
107.09293	2.5
107.65531	1.2
109.06525	8.6
109.10147	18.7
110.02640	1.3
111.04417	1.2
111.08084	6.3
113.05999	1.3
117.06999	9.6
119.07777	2.1
119.08576	27.1
121.06506	5.9
121.10143	14.2
123.04416	4.0
123.08031	6.9
123.11679	6.7
125.09611	8.1
125.10951	1.2
128.06152	1.3
129.06996	3.5
130.07744	1.5
131.08548	15.3
133.10112	20.5
135.08078	5.5
135.11673	10.0
137.02322	2.7
137.06017	1.6
137.09608	4.9
141.07016	2.1
143.08568	3.7
145.06450	2.1
145.10130	15.6
147.04372	1.7
147.07994	2.2
147.11653	17.9
149.09590	14.4
149.13234	5.4
151.07613	1.6
151.11168	5.1
155.08516	1.8
157.10147	5.3
159.11691	14.0
161.13275	5.3
163.11246	9.2
165.09096	1.8
165.12718	3.6
167.10739	1.2
168.07205	1.3
169.10049	1.8
171.10168	5.0
171.11681	4.7
173.09573	2.4
173.11961	1.6
173.13187	6.5
175.11229	3.0
175.14848	2.8
177.12811	3.7
183.11676	2.2
185.13264	2.2
187.11098	1.5
187.14828	2.4
189.11215	8.3
189.12753	2.7
195.07999	1.2
197.13272	3.5
198.64754	1.3
201.16223	1.7
203.03490	1.6
213.05437	7.0
213.16373	1.6
214.06184	1.7
215.18050	2.0
219.17511	2.0
225.05481	2.6
227.12764	3.7
229.19496	3.2
233.18999	2.9
237.05519	1.9
239.17931	4.0
241.04904	4.1
245.13945	2.2
247.20512	3.7
251.20062	2.5
253.04907	1.5
253.17944	2.3
255.06462	1.8
255.58675	1.4
257.18933	10.6
263.06976	1.4
263.19983	2.2
267.06479	7.2
269.04388	6.2
269.17499	2.2
270.05206	4.3
271.05942	4.6
275.20023	53.8
281.04471	13.6
281.08087	3.9
282.05069	1.6
283.06088	2.3
293.08023	3.6
293.21155	5.2
295.05969	4.7
297.07617	2.5
298.04874	3.1
299.09042	2.7
307.09549	1.7
309.07574	3.5
309.20633	2.4
310.04706	1.8
311.05515	2.7
313.07034	5.6
323.09015	8.9
325.07028	2.4
334.08313	2.7
335.09140	2.8
337.06848	7.1
338.07343	2.5
339.08286	1.7
349.10477	6.0
349.23785	28.6
350.11459	1.4
352.09357	8.1
367.11740	100.0
367.15268	5.0
367.24921	28.0
368.12057	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	367.1878
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
55.05511	3.1
56.96560	25.2
57.03131	1.3
57.03425	4.1
67.05506	8.5
69.07051	4.3
70.23083	6.0
71.04980	3.7
71.95238	1.8
74.97590	1.9
79.05488	10.0
81.07050	21.7
83.04981	1.5
85.06541	2.6
89.05996	1.3
91.05479	8.1
93.07035	9.8
95.04943	4.1
95.08599	8.0
97.06540	5.6
97.10140	2.0
98.97592	2.1
105.07036	6.3
107.08567	7.4
109.06534	2.1
109.10144	4.2
110.97580	1.4
117.06995	2.8
119.08579	4.8
121.06518	1.5
121.10131	5.9
123.04456	3.5
123.08079	2.8
123.11645	2.4
125.09626	3.0
128.98593	3.9
131.08563	4.1
133.10143	2.7
137.09572	1.4
145.10115	3.6
146.99652	5.4
147.04407	2.4
149.09612	2.4
149.13316	1.3
151.11218	2.6
159.08063	1.4
159.11624	1.6
161.04890	1.6
161.13318	1.7
171.03110	1.7
181.10068	1.4
185.13239	1.8
187.62498	1.4
199.06393	2.7
203.05905	3.3
205.07423	2.8
213.07962	6.2
217.07463	4.6
218.98833	1.3
223.08603	1.4
225.07910	3.2
229.07539	2.2
231.08966	15.5
237.08076	2.1
238.06320	1.4
239.09512	3.6
241.11058	3.8
243.09062	4.4
247.08418	3.2
251.09662	4.2
253.11171	1.6
255.08987	8.8
257.10583	4.2
257.18979	1.8
259.12192	5.9
267.06311	2.8
269.10580	30.6
270.10715	1.8
273.10077	5.0
275.20026	4.6
278.10501	1.5
279.09235	2.7
279.19565	2.4
281.04630	2.4
283.05896	3.0
287.11679	23.6
288.12152	1.5
292.12244	2.5
295.05991	2.6
297.07501	5.7
297.10309	3.2
298.10941	2.2
315.11163	2.1
323.09091	3.5
325.07144	1.6
331.15924	8.1
334.08398	2.6
339.12320	2.9
344.45474	1.5
349.10703	5.9
349.16757	16.8
349.23761	3.4
350.17102	1.6
367.08041	4.2
367.11719	25.1
367.17944	100.0
368.12250	2.3
368.18329	4.8
372.18405	2.4
385.18964	30.9
386.19461	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	367.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.0
57.03425	1.7
66.22784	1.2
66.44341	1.3
69.03414	2.3
70.06585	47.5
70.12802	5.9
72.04503	1.7
72.08150	100.0
73.64973	1.3
81.22768	1.1
84.08139	3.0
85.02905	10.7
85.08492	1.9
87.04461	1.5
89.10783	5.2
93.03397	1.7
95.06888	1.3
98.06043	8.8
98.21434	1.8
100.78344	1.3
105.07029	1.8
107.04926	4.9
114.09161	3.8
115.08659	6.9
119.04929	12.1
121.02821	1.8
121.06504	1.5
129.11024	1.7
131.04932	1.6
131.08669	1.5
133.06474	5.7
133.07869	1.3
145.06476	9.6
146.05977	3.1
147.04398	29.2
147.08049	3.0
149.06075	1.7
150.22916	1.3
157.06473	4.5
160.07565	7.5
161.05930	3.1
161.73947	1.1
167.57452	1.3
169.06493	1.9
171.08125	1.5
172.07564	4.8
173.06030	2.9
174.05426	1.6
176.07086	3.0
178.98355	1.1
184.07352	1.5
186.09212	1.4
187.07526	2.0
188.07048	31.4
189.05420	3.8
190.08607	20.5
197.05992	2.5
200.07063	25.8
212.10655	5.4
213.05446	4.4
214.08496	1.7
214.12300	1.6
215.07086	8.1
218.08070	4.1
218.11705	4.7
224.10707	2.9
226.08554	2.1
226.63072	2.1
230.11752	41.9
231.11972	2.0
233.08121	2.3
235.14378	11.1
235.64484	1.9
241.13359	10.0
242.08075	5.1
242.11734	40.0
243.06485	11.0
243.12027	2.4
247.14377	6.6
254.08122	2.6
259.14398	43.7
260.09833	1.7
260.12766	15.0
277.15445	75.8
278.15933	1.8
284.12796	2.3
296.12701	8.1
301.15500	4.1
313.15311	7.9
314.13626	8.4
315.14032	1.3
319.16498	1.8
331.16492	76.7
332.14838	4.0
349.17511	23.4
350.15729	3.1
367.18323	29.4
367.22647	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23788	0.7
54.45547	0.7
55.01861	2.0
55.05503	4.1
55.93523	0.8
56.05038	1.5
56.96563	4.0
57.03432	3.0
61.02918	2.6
62.96683	0.7
66.93230	0.7
67.05491	1.4
68.05032	1.2
69.03407	4.1
69.07069	2.2
70.06588	38.1
70.95871	1.0
71.04989	1.1
71.62232	1.1
72.04507	1.0
72.08150	100.0
72.93777	0.9
73.02920	1.0
73.06586	0.8
73.08478	2.1
79.05474	1.0
81.03413	3.2
82.06567	1.5
84.04481	1.1
84.08134	5.2
85.02903	12.9
85.06528	1.7
86.06081	1.8
86.09711	6.5
87.04425	0.9
89.10787	6.0
90.94838	1.0
91.05457	2.4
91.43684	0.8
95.01334	0.9
95.04983	1.4
96.04459	0.9
96.08112	1.8
97.02888	3.9
98.06047	11.9
98.09683	2.6
98.97576	4.2
99.04424	1.5
103.08696	2.2
103.12338	1.4
105.07047	1.5
107.04945	4.7
109.02872	1.7
110.07169	1.9
110.09766	0.9
112.07599	2.8
114.09180	3.7
115.08688	7.2
116.98632	3.1
117.07038	0.9
119.04938	17.2
120.08113	1.4
121.02864	2.7
121.06484	1.9
122.05976	1.3
122.07143	2.3
123.04401	0.8
127.03912	2.3
127.08672	3.5
128.98514	0.9
129.10236	3.4
130.06572	0.8
131.04924	1.9
131.08539	0.7
132.08130	0.8
133.06473	4.4
134.06000	0.8
134.99637	1.1
136.07626	1.7
137.02271	0.9
137.06030	1.0
140.07059	0.9
141.06938	1.4
145.05284	1.3
145.06470	9.5
146.06007	2.6
146.99655	2.0
147.04395	38.6
147.08060	1.7
148.04736	1.8
148.07545	1.4
149.06052	1.1
153.06967	0.7
155.04613	1.0
155.08182	2.1
156.70338	0.7
157.06490	5.2
158.97363	1.6
158.99651	1.0
159.04388	1.0
159.07991	1.8
160.05177	0.8
160.07568	7.9
161.05986	2.3
162.09119	1.6
162.96909	0.9
163.00508	1.0
163.03830	1.0
163.76112	0.8
164.05188	1.1
165.00662	2.2
167.07030	2.1
169.06398	1.7
170.05167	1.1
171.08005	1.7
172.07567	3.1
173.05951	4.0
174.05478	1.5
174.09117	0.8
176.07057	3.4
176.10718	1.1
176.98485	1.3
177.00728	2.0
177.04178	1.2
177.05531	1.0
184.07507	1.3
185.05905	0.9
186.09006	0.9
186.96860	1.3
187.07507	2.5
188.07056	31.4
189.05424	2.8
189.07603	1.0
190.08603	9.1
197.06018	1.9
198.09103	1.3
199.07594	1.7
200.07050	13.1
200.10921	1.4
201.05438	2.7
201.29138	0.9
202.12279	1.4
205.01796	1.0
206.08226	1.8
212.07059	1.8
212.10675	2.8
213.05461	9.6
213.12337	1.9
214.08640	1.9
214.12161	1.1
215.07021	9.0
216.97920	1.3
217.01712	0.9
218.08308	1.6
218.11752	10.3
219.01772	1.2
219.12013	1.1
223.01288	1.8
224.10643	1.4
225.05438	1.0
226.08617	2.1
226.63033	1.5
227.06824	2.2
228.06856	1.4
228.10216	1.8
230.11736	41.3
231.12117	2.1
233.08026	4.0
233.63847	2.2
234.98988	4.9
235.02786	1.1
235.14407	7.9
235.64502	1.3
237.02785	1.6
240.10162	1.4
241.07063	0.8
241.13324	4.7
242.08084	5.9
242.11726	17.8
242.15263	6.9
242.65268	3.8
243.06520	15.0
244.09717	1.6
245.07967	1.4
246.07831	1.3
247.14400	8.5
249.15916	1.6
252.13324	0.8
253.00200	1.1
254.08130	1.8
254.11856	1.1
259.14404	17.7
260.09201	2.9
260.12747	8.1
261.07355	1.1
262.10657	1.2
264.06705	1.0
265.18900	1.2
266.11615	0.9
272.09174	1.5
277.15445	31.8
279.03799	0.9
279.06531	3.5
284.12564	4.3
286.14032	1.0
288.15924	0.9
295.14331	2.6
296.12781	7.4
301.15460	8.0
307.04660	6.4
309.08469	1.2
313.15414	7.8
314.13809	10.6
319.16547	2.2
331.16498	57.7
332.14581	4.4
349.04208	1.3
349.13599	1.4
349.17587	22.4
350.16132	2.6
367.11273	1.4
367.18637	36.6
367.28436	3.2
368.18582	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	367.1174
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
52.31535	0.2
56.37788	0.3
67.05492	0.9
69.95108	1.3
79.05494	0.3
81.07050	0.8
91.05503	0.4
92.99735	0.3
93.07054	0.4
95.08585	0.5
105.07000	0.6
107.04963	0.5
107.08554	0.4
108.54668	0.2
119.04944	0.3
127.62419	0.3
134.03627	1.0
136.54445	0.2
137.02306	0.3
151.03934	0.3
153.05464	1.0
161.02330	0.4
163.03888	0.2
163.07571	0.2
165.05472	0.4
173.06049	0.3
175.03889	0.3
175.07361	0.3
176.00974	0.3
181.06519	0.4
181.10001	0.2
187.07437	0.2
190.06226	0.3
194.02126	0.3
200.04713	0.4
201.05478	0.9
203.03387	1.8
205.04802	0.3
208.03568	0.4
215.07100	0.3
218.05702	0.7
221.04385	2.6
221.06340	0.2
225.05597	0.4
226.06131	0.3
233.07950	0.6
235.07510	0.5
236.06593	1.1
237.05434	0.5
239.07001	0.3
241.04919	0.4
253.04948	1.2
253.08643	0.9
254.05739	0.4
255.06503	0.3
261.09207	0.4
263.07092	0.4
265.04886	0.6
267.06509	1.2
269.07990	0.3
270.05392	0.5
277.08612	0.9
281.04672	0.4
281.08020	2.9
282.05402	1.2
282.08096	0.3
283.06006	0.3
285.07404	0.4
289.08606	0.4
291.06479	0.5
292.07190	1.0
293.04373	0.7
295.06049	1.6
295.09683	1.1
296.10260	0.3
297.07614	1.4
297.10776	0.4
298.04700	7.3
299.05026	0.4
300.06268	0.3
301.07156	0.5
303.04913	0.3
305.08035	0.3
306.08798	0.5
307.05920	0.2
307.09601	1.0
309.04120	0.5
309.07568	4.9
310.04700	2.9
310.08224	0.6
311.05435	0.5
311.09354	0.5
311.12726	0.5
313.07022	10.0
317.08032	0.8
319.05972	0.8
320.06863	1.5
321.07712	0.3
321.11243	0.6
322.04709	0.7
323.05423	1.1
323.09067	0.6
324.06198	0.9
324.09790	0.4
325.07065	7.9
325.10632	0.6
326.07367	0.5
333.07529	0.5
334.08362	2.4
335.09094	1.8
337.07047	10.7
338.07730	2.5
339.08640	0.9
339.12198	0.6
349.10721	2.7
351.08539	1.2
352.09384	13.9
353.09677	0.6
367.11740	100.0
368.12048	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	367.1173
Annotation	Candidusin C
Peak:m/z	Relative Intensity
55.05494	0.4
67.05499	1.0
69.07050	0.4
70.65009	0.6
72.08097	0.2
79.05469	0.5
81.07059	1.0
83.08585	0.3
91.05466	0.4
92.99767	0.4
93.07027	0.5
95.08606	0.5
97.10136	0.2
98.21517	0.2
105.03384	0.2
105.07047	0.3
107.04941	0.6
107.08584	0.3
109.06570	0.2
109.10155	0.3
115.05474	0.2
119.08584	0.4
121.10162	0.2
123.11646	0.3
129.07057	0.2
133.02875	0.4
134.03624	0.7
137.02316	0.3
147.04381	0.3
149.02380	0.2
151.03876	0.3
153.01730	0.2
153.05396	0.2
154.05772	0.2
159.04405	0.3
161.02319	0.3
163.03876	0.2
165.05476	0.7
169.06412	0.2
172.05168	0.3
173.06039	0.2
176.01030	0.3
177.01886	0.3
185.06036	0.3
191.03401	0.5
194.02028	0.5
200.04652	0.3
201.05461	1.2
203.03336	1.8
203.06920	0.2
205.04951	0.3
206.89888	0.2
208.03685	0.4
210.27983	0.2
213.05560	0.3
218.05774	0.7
219.06509	0.4
221.04433	2.7
226.06207	0.3
235.07565	0.4
236.06721	1.1
237.05298	0.3
239.06990	0.3
241.04910	0.4
242.05771	0.3
250.09937	0.3
251.06944	0.2
253.04980	0.8
253.08575	0.7
259.05939	0.3
261.09128	0.4
263.07053	0.4
265.04877	0.4
267.06491	1.5
268.04211	0.2
269.08032	0.5
270.05231	0.6
277.08661	0.8
278.09296	0.4
279.06601	0.4
279.09985	0.4
281.04749	0.4
281.08047	2.8
282.05179	0.7
282.08267	0.2
283.06018	0.2
289.08636	0.4
291.06485	0.5
292.07266	0.9
293.04547	0.5
293.07990	0.3
293.11453	0.4
295.06067	1.3
295.09625	0.7
296.10498	0.5
297.07498	2.0
298.04736	6.4
299.05151	0.4
301.07071	0.4
305.07968	0.2
306.08801	0.6
307.06226	0.3
307.09641	0.7
309.04080	0.2
309.07489	5.8
310.04697	1.3
310.08182	0.6
311.05536	0.4
311.09113	0.4
312.06299	0.2
313.07028	10.3
314.07443	0.3
317.07928	0.9
319.05997	0.6
320.06750	2.0
321.07611	0.4
321.11230	0.3
322.04623	0.5
323.05545	1.0
323.08994	0.4
324.06180	1.1
324.09836	0.4
325.07050	3.4
325.10751	1.0
327.08667	0.3
333.07663	0.5
334.08331	2.5
335.09094	1.7
336.06299	0.3
337.07022	11.2
338.07782	2.8
339.08484	0.9
339.12381	0.6
349.10672	3.0
351.08649	1.4
352.09369	12.3
353.09778	0.8
367.11734	100.0
368.07861	0.4
368.12106	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	367.1174
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03907	0.7
55.01838	1.0
55.05489	1.9
56.96527	0.6
57.03409	0.8
57.07033	0.9
61.35774	0.6
62.87565	0.7
65.03912	1.5
67.05493	3.4
69.03385	0.7
69.07036	2.4
69.85699	0.5
70.10549	2.8
70.10926	1.3
71.04963	0.7
71.08597	1.5
72.08116	0.8
79.05481	3.0
81.03418	4.6
81.07066	3.2
83.04946	1.3
83.08596	1.1
86.79156	0.5
91.05446	2.7
93.06999	2.3
95.04967	1.7
95.08562	2.8
97.06546	0.7
97.10134	0.6
99.08050	1.3
99.11415	0.8
105.07012	3.0
107.04906	2.1
107.08555	1.9
109.06477	0.8
109.10114	1.3
118.04113	1.2
119.04903	2.1
119.08513	1.8
121.02097	1.0
121.02860	10.8
121.10116	1.2
123.04400	1.1
123.08029	1.0
123.11644	0.9
128.06161	0.6
130.15547	0.6
131.08568	0.7
132.05585	0.7
133.06438	0.6
133.10106	1.8
135.07976	0.7
139.03850	2.2
143.08549	0.9
145.10042	1.1
147.04375	1.4
149.02312	2.4
149.05931	1.4
149.13214	0.7
155.08537	1.3
157.10153	0.7
159.08046	0.8
161.02373	0.8
161.06012	0.8
161.13202	0.9
165.06984	3.0
167.03352	2.0
167.07014	1.3
168.05766	0.7
169.06432	0.8
171.08012	2.6
181.06364	0.8
183.07985	2.9
188.04689	0.7
189.09114	5.6
189.10625	0.9
193.06346	0.9
197.05939	0.9
199.07515	2.9
211.07486	4.4
216.04147	1.8
221.05838	1.3
227.07045	2.5
232.08772	1.0
238.43573	0.7
239.07036	5.6
254.05716	2.2
255.06699	1.1
260.08408	1.8
261.08972	1.3
263.07147	0.8
267.06516	49.6
268.06836	1.6
275.20090	2.6
277.08521	1.2
278.09204	0.9
281.04388	0.7
282.05243	2.9
283.06021	3.4
284.06525	1.0
285.07495	0.9
287.07065	1.1
289.08560	1.7
290.09390	2.6
291.06458	1.9
293.11572	1.1
293.20834	2.5
295.06006	0.9
297.07559	100.0
298.04797	1.3
298.07791	5.0
305.08041	3.6
306.08701	4.6
307.06171	1.2
307.09570	1.7
310.04620	1.2
311.05469	2.2
311.08908	1.3
313.07095	4.0
316.07214	2.5
321.11108	7.4
322.11557	1.0
325.07028	2.4
325.10547	0.9
331.09671	5.3
333.07443	1.6
334.08331	7.9
335.08908	0.7
337.07083	2.4
339.08282	1.1
339.12262	15.6
340.12698	0.9
349.10678	83.0
350.10989	5.2
352.09378	1.2
367.11737	70.2
367.24457	3.0
368.12036	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	367.1174
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
50.68874	0.2
53.08521	0.2
55.05490	0.5
67.05492	1.0
69.07057	0.8
69.71778	1.5
71.08626	0.3
79.05492	0.2
81.07053	1.2
91.05483	0.4
93.07033	0.6
95.08585	1.0
99.08080	0.3
105.07024	0.3
105.97430	0.2
107.08564	0.7
107.87383	0.2
109.02872	0.3
109.10126	0.5
119.08586	0.2
121.06496	0.3
121.10159	0.2
123.08070	1.3
123.11671	0.2
133.10103	0.4
134.03609	0.8
135.04475	0.2
135.08008	0.5
145.06448	0.3
145.10147	0.3
145.27562	0.2
149.05989	0.3
149.09535	0.3
151.03938	0.2
165.05449	0.3
172.05125	0.4
176.01027	0.3
177.01834	0.6
179.14359	1.4
181.06508	0.3
194.02063	0.4
195.02876	0.7
197.05994	0.3
200.04698	0.3
201.05466	0.7
203.03329	1.0
207.02937	0.3
213.05423	0.4
218.05673	0.4
219.06413	0.3
221.04376	1.7
225.05580	0.3
236.06767	0.9
236.30421	0.3
237.05440	0.2
250.09879	0.2
251.20175	0.6
253.04948	0.7
253.08553	0.6
254.05597	0.4
263.07089	0.5
265.04907	0.7
267.06610	1.2
269.08063	0.3
270.05276	0.5
277.08533	0.6
278.09305	0.4
279.10025	0.3
281.08038	2.2
282.05203	0.8
289.08670	0.3
291.06689	0.3
292.07187	0.7
293.04453	0.8
293.07797	0.2
293.21191	0.4
295.05991	2.9
295.09537	0.9
296.06396	0.3
296.10245	0.2
297.07584	1.5
298.04709	6.8
299.05054	0.3
301.06949	0.4
303.26868	0.4
304.86090	0.3
306.08875	0.5
307.09659	0.9
309.04178	0.4
309.07501	3.9
310.04651	1.6
310.08160	0.6
311.05502	6.3
311.09097	0.4
313.07037	8.8
314.07242	0.4
317.08023	0.8
319.05957	0.6
320.06653	1.0
321.07605	0.3
321.11224	0.4
323.05438	1.0
323.08792	0.2
324.06177	0.8
324.09698	0.4
325.07031	3.1
325.10703	1.0
327.08350	0.3
331.26306	2.1
333.07578	0.4
334.08267	2.0
335.08981	1.2
337.07034	8.4
338.07654	2.1
339.08615	1.0
339.12354	0.5
349.10684	3.8
349.27325	4.5
350.19513	0.2
351.08569	1.0
352.09402	11.7
353.09866	0.6
366.68344	0.2
367.11734	100.0
368.12070	4.1
368.16370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1175
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03926	0.8
53.18761	0.5
55.01856	0.7
55.05478	1.4
56.96547	0.5
57.03404	1.5
59.04958	0.4
65.03916	0.9
67.05508	3.0
68.05825	0.5
69.03410	0.6
69.07037	1.6
69.27438	0.4
71.04961	0.7
71.14619	0.8
77.52599	0.4
79.05502	2.2
81.03413	3.2
81.07059	3.7
83.04948	0.7
83.08596	0.5
85.06519	1.0
91.05446	1.6
93.07031	1.9
95.04928	1.8
95.08606	2.1
96.05274	0.5
97.02878	0.7
97.06525	0.9
97.10165	0.7
105.03384	0.6
105.07064	2.3
107.04929	1.6
107.08585	2.2
109.06493	1.2
109.10123	1.0
111.04428	0.4
111.48170	0.4
113.05972	1.4
114.06314	1.1
117.07019	0.7
118.04102	0.5
119.04901	1.4
119.08531	1.1
121.02863	5.3
121.06490	0.6
121.10088	1.3
123.04398	0.6
123.08044	0.5
123.11638	0.8
131.08559	0.8
133.10117	1.4
134.03632	0.9
135.08031	0.7
137.05885	0.5
137.09613	0.6
139.03862	1.4
143.08482	0.7
145.06517	0.6
145.10106	0.8
147.04384	0.6
147.08005	0.8
147.11671	1.5
149.02319	1.8
149.09610	0.6
155.08498	1.1
157.10086	0.5
159.08064	0.8
159.11684	1.2
160.05135	0.5
161.02388	0.5
165.07004	1.7
167.03416	0.9
171.11615	0.6
173.02275	0.5
175.07576	0.6
183.08014	1.6
184.05328	0.5
187.07481	0.5
193.06442	0.8
193.18509	0.4
195.07993	0.5
197.05994	0.6
199.07466	2.1
201.05453	0.5
203.03410	1.2
211.07550	2.8
216.04170	1.1
219.06549	1.5
221.04399	5.5
221.06255	0.4
225.05345	0.5
226.06322	0.7
227.06950	1.3
232.08838	0.6
233.08008	0.5
236.06758	4.1
237.05417	0.5
239.07050	3.3
241.04974	0.5
247.07401	0.7
249.05392	0.5
253.08649	1.2
254.05766	1.3
255.06584	0.5
260.08374	0.9
261.09213	0.8
263.07050	0.7
265.05005	0.6
265.08533	0.7
267.06522	30.4
268.07001	1.6
275.19913	1.6
277.08560	1.3
278.09232	0.6
279.10254	0.5
281.04437	1.1
281.08054	1.4
282.05231	3.5
283.05917	1.3
284.06668	0.7
285.07620	0.6
287.06998	1.2
288.07874	0.4
289.08551	0.8
290.09369	1.2
291.06552	1.1
293.11664	1.2
293.20419	0.5
295.06195	0.9
295.09619	4.0
296.10410	1.1
297.07571	63.5
298.04684	1.5
298.07916	2.2
305.04800	0.6
305.08038	2.3
306.05649	0.4
306.08783	2.3
307.09592	2.1
309.07520	1.7
311.05615	0.8
311.09155	0.5
312.06271	2.3
313.07129	2.6
316.07257	2.1
317.07910	1.3
321.07507	1.2
321.11218	4.7
322.04620	0.8
323.09180	1.4
324.06204	0.5
325.07126	1.1
325.10654	0.6
327.08661	2.3
331.09634	3.2
331.22559	0.6
333.07611	1.5
334.08368	7.3
335.09113	1.4
337.07037	8.0
339.08307	1.0
339.12219	10.9
340.12717	0.6
349.10690	50.8
349.23782	1.2
350.11154	2.9
351.08786	1.9
352.09396	20.1
353.09875	1.0
367.11755	100.0
367.28183	1.7
368.12045	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	367.1175
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03931	0.2
55.01866	0.2
55.05492	0.4
56.96562	0.2
57.03415	0.3
57.07040	0.1
62.22165	0.1
63.24320	0.1
65.03918	0.3
65.82431	0.1
67.05498	1.8
69.03418	0.2
69.07066	1.0
72.08143	0.2
79.05489	1.2
81.03412	0.8
81.07050	1.8
83.04954	0.2
83.08602	0.3
85.06552	0.2
91.05460	0.5
93.07050	0.9
95.04971	0.3
95.08608	1.1
97.02878	0.5
97.06503	0.3
97.10117	0.2
105.03374	0.6
105.07024	1.2
107.04943	0.6
107.08574	0.7
109.06474	0.4
109.10137	0.4
110.85938	0.1
115.05463	0.1
116.77185	0.1
117.03339	0.2
117.07000	0.4
119.04899	0.3
119.08569	0.8
121.02850	1.0
121.10126	0.4
123.04410	0.5
123.08083	0.2
123.11672	0.3
128.06160	0.2
129.07018	0.3
131.04906	0.2
131.08575	0.4
133.02820	0.3
133.10109	0.6
134.03603	0.6
135.04419	0.8
135.08058	0.2
135.11679	0.2
137.02332	0.6
139.03932	0.2
143.08522	0.2
145.02951	0.2
145.06459	0.3
145.10124	0.5
147.04411	0.4
147.11659	0.4
149.02335	0.5
149.09610	0.3
149.13281	0.2
151.03937	0.3
151.11159	0.1
152.06270	0.2
153.06961	0.4
157.06502	0.2
157.10123	0.2
159.08047	0.3
159.11681	0.4
161.02328	1.2
161.13391	0.2
163.03900	0.5
163.11203	0.2
165.01723	0.3
165.06963	0.2
167.03401	0.5
169.06444	0.2
171.07983	0.3
173.11729	0.2
173.13263	0.3
175.03969	0.2
175.14790	0.2
177.01775	0.2
177.05431	0.2
179.03276	0.2
181.06477	0.5
183.02901	0.2
187.03827	0.3
189.05496	0.2
189.08995	0.2
191.03391	0.5
195.02864	0.2
195.08080	0.3
199.07539	0.4
201.05513	0.3
203.03346	0.5
205.04982	0.3
205.08583	0.3
209.05952	0.6
211.07497	0.3
213.05507	0.2
213.09059	0.2
215.06912	0.4
221.04297	0.2
223.07526	0.4
227.06989	0.6
232.08794	0.3
233.08051	0.5
237.05463	1.2
239.06969	0.4
241.04892	0.2
241.08670	0.2
247.07698	0.2
247.11209	0.2
251.07019	0.2
253.04892	0.3
253.08575	0.3
255.06544	0.7
255.09073	0.2
257.19049	0.2
260.08408	0.3
261.09006	0.6
263.06973	0.4
265.04880	0.4
267.06522	0.6
269.08133	0.6
269.17340	0.2
270.05090	0.3
271.05988	0.2
275.10541	0.4
275.20047	0.7
277.08517	0.2
278.09253	0.3
279.06601	0.4
279.10178	0.2
281.04724	0.3
281.08075	0.6
282.05215	0.4
283.06003	9.8
284.06354	0.5
285.07541	0.2
288.07895	0.4
289.08539	0.3
290.09348	0.5
291.06454	0.4
292.07162	0.2
293.08368	0.2
293.11685	0.7
295.05954	0.7
297.07642	1.6
297.10950	0.2
298.04752	0.8
299.05453	2.7
300.06113	0.3
301.07071	0.6
303.10107	0.2
305.07971	0.2
306.08655	0.9
307.06165	0.2
307.09561	0.2
309.07428	0.7
310.04706	0.9
311.05527	1.1
311.12729	0.3
313.07034	16.1
314.07364	0.6
316.07413	0.2
317.08154	0.3
319.05951	0.3
320.06863	0.2
321.07654	1.5
321.11182	0.3
323.05527	1.3
323.08820	0.2
324.06204	0.9
324.09641	0.2
325.07089	4.3
325.10718	0.6
327.08737	0.7
331.09659	0.5
331.22632	0.2
333.07474	0.3
334.08340	1.5
335.09076	0.8
336.09811	0.5
337.07031	7.0
338.07693	0.9
339.08585	1.7
339.12335	0.4
349.10675	6.2
349.23691	0.5
350.11151	0.3
351.08575	2.2
352.06171	0.2
352.09366	3.4
367.11740	100.0
368.07382	0.2
368.12057	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	367.1174
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03942	0.5
55.01857	0.9
55.05494	0.9
57.03406	0.4
65.03933	0.9
67.05497	2.0
68.99775	1.0
69.03426	0.3
69.07062	4.0
70.75063	0.3
70.75417	1.0
77.03933	0.3
79.05480	1.7
81.03412	1.1
81.07052	1.6
83.04977	0.3
83.08620	0.4
85.06496	0.4
91.05460	1.7
93.03400	0.4
93.07024	1.1
95.04960	1.7
95.08604	1.5
99.08105	0.3
103.05441	0.7
105.03391	1.1
105.07032	2.2
107.04955	2.0
107.08554	0.7
109.06510	0.5
109.10131	0.9
115.05456	0.6
117.07005	0.9
119.08572	0.7
121.02876	2.0
121.06491	0.8
121.10111	0.4
123.04411	6.5
123.08099	0.5
125.09592	0.6
129.06961	0.4
131.08560	0.6
133.02826	0.7
133.06482	1.0
133.10123	1.4
134.03641	0.6
135.04366	1.3
135.07996	0.3
137.05986	0.3
137.09619	0.5
145.06487	0.9
145.10110	0.3
147.04410	1.2
147.08078	0.4
149.02322	3.4
149.05965	0.8
149.09599	0.6
151.03876	0.5
151.11176	0.5
156.32129	0.3
157.06436	0.3
159.08000	1.6
159.11671	0.3
161.02356	3.0
161.05907	0.4
162.06805	0.5
163.03894	0.9
163.07521	3.5
165.01874	1.0
165.06981	0.4
165.09145	0.5
167.03403	1.3
169.04971	0.5
171.08046	0.4
171.11723	0.3
173.05975	0.7
174.06813	0.4
175.03922	0.4
175.07533	0.8
177.05602	0.8
177.09097	1.0
179.03378	9.2
180.03729	0.3
181.04964	1.1
183.02922	0.8
187.03893	0.7
189.01900	0.6
189.05466	0.4
189.09157	0.5
190.06204	0.8
191.03416	3.0
191.06993	0.7
193.05014	0.4
197.04443	7.5
197.05876	0.4
199.07523	0.7
201.05440	1.6
203.03389	2.1
203.07080	0.4
205.04907	1.4
205.08629	1.3
209.04449	0.9
211.07574	0.4
213.05511	0.9
215.07033	1.1
219.06523	0.4
220.07286	0.6
221.04387	1.2
223.11330	0.3
227.07092	0.3
231.06548	0.3
231.13734	1.4
233.05775	0.6
233.08067	11.3
234.08302	0.3
235.05881	0.4
237.05553	0.7
239.07146	0.4
243.06564	0.5
245.07806	0.4
251.08841	0.3
251.10965	0.4
253.05092	0.3
254.05685	0.5
255.06561	1.0
258.76703	0.3
261.09155	0.4
263.07074	0.6
264.07721	0.6
265.04947	1.0
265.08771	0.4
267.06650	1.4
269.08090	0.8
269.11703	1.5
275.20096	0.5
277.08801	0.3
278.09326	0.5
279.10211	1.3
280.03592	0.5
281.04636	0.5
281.07990	0.4
282.08878	0.4
283.05988	1.3
283.09247	0.5
285.11166	3.9
291.06635	0.3
292.07108	0.3
293.11548	0.4
295.06039	2.8
297.11200	3.6
299.05502	0.9
299.12796	0.8
303.06348	0.4
307.05994	0.7
307.09290	0.4
309.07483	0.4
311.05475	1.1
311.12747	0.9
313.07043	6.7
314.07312	0.4
316.07260	0.6
317.07916	0.4
319.06082	2.0
325.07068	2.4
325.10718	0.8
327.08600	0.4
331.09637	1.2
333.07578	0.9
334.08243	1.1
335.09161	0.5
337.07004	3.3
338.07565	0.4
339.08597	0.9
339.12274	0.5
346.16406	0.4
349.10651	5.1
351.08606	0.8
352.09372	1.2
357.76871	0.3
367.11737	100.0
368.12073	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	367.1175
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03956	0.6
55.01866	1.2
55.05507	2.2
57.03426	1.0
57.07058	0.5
65.03938	0.5
67.05504	4.8
69.03416	1.0
69.07066	2.7
71.04977	0.7
71.62688	0.9
72.78349	0.5
79.05498	3.5
81.07056	5.3
83.04967	0.5
83.08611	1.7
85.02887	0.6
85.06549	1.0
91.05487	2.9
93.07040	3.0
95.04961	1.7
95.08600	4.9
96.64472	0.5
97.02872	1.0
97.06530	1.9
97.10184	1.1
99.08093	0.5
105.07037	3.2
107.04959	1.9
107.08576	4.0
107.76328	0.5
109.06497	1.2
109.10131	1.4
117.07011	1.5
119.04899	0.5
119.08582	3.4
121.02872	1.2
121.06467	0.7
121.10107	1.8
123.04430	1.6
123.11683	0.8
125.09540	0.7
129.00443	0.5
129.06987	1.3
130.01878	0.5
131.08560	2.0
132.16199	0.5
133.10141	1.6
134.03593	0.7
135.11751	0.7
137.05994	0.6
141.07014	0.5
143.08545	0.9
145.06538	0.6
145.10123	2.1
147.04375	1.4
147.11649	1.6
149.09596	1.1
151.07547	0.8
151.11180	0.8
155.08621	0.5
159.11658	1.4
161.09558	0.6
161.13237	0.5
163.11296	0.7
172.05000	0.6
173.13237	0.6
173.62152	0.5
175.07468	0.9
175.14655	0.6
185.13271	0.6
189.01805	0.6
201.05516	1.3
203.03415	2.3
213.05348	0.7
219.06424	0.6
221.04340	2.5
225.05565	0.8
233.08194	0.6
233.11717	0.6
236.06822	1.2
239.07120	1.0
241.04967	1.0
253.04980	1.8
254.05670	1.1
257.19012	0.7
261.09247	0.8
263.07138	0.9
265.05020	0.7
267.06564	4.2
275.19980	2.8
279.10077	0.7
281.04495	1.6
281.08090	3.2
282.05258	1.4
283.06058	2.4
291.06613	0.7
292.07254	1.0
293.04379	0.6
295.06006	2.8
295.09418	1.2
297.07547	7.2
298.04782	6.5
306.08823	0.6
307.09503	0.9
309.07605	4.7
310.04675	1.7
310.08041	1.0
311.05487	1.0
311.09067	0.6
313.07062	10.0
317.08081	1.1
319.06113	0.9
320.06821	1.4
323.05460	1.3
323.09003	1.1
324.06296	0.8
325.07019	3.6
325.10767	1.3
331.22827	0.7
334.08331	2.3
335.08960	1.4
337.07028	10.2
338.07800	2.3
339.08530	0.9
339.12106	1.3
349.10773	7.2
349.23923	2.4
351.08548	1.4
352.05933	0.6
352.09399	12.7
367.11774	100.0
367.24347	2.3
368.12103	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	367.1173
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
55.01861	0.5
55.05506	0.5
56.72863	0.2
56.96562	0.4
57.07051	0.2
65.03932	0.4
67.05503	1.4
68.99787	0.6
69.03430	0.3
69.07062	0.9
69.36973	2.0
70.56064	0.2
77.61770	0.2
79.05481	0.9
81.03410	0.6
81.07034	1.4
83.08577	0.2
83.23019	0.2
85.06555	0.2
91.05469	0.7
93.03407	0.2
93.07044	0.7
95.04955	0.6
95.08604	0.7
97.06515	0.3
103.05487	0.4
105.03371	0.6
105.07037	1.4
107.04930	1.2
107.08586	0.6
109.06524	0.2
109.10199	0.4
115.05424	0.2
117.07034	0.6
119.08569	0.6
121.02876	1.1
121.06513	0.2
121.10142	0.3
123.04410	0.6
123.08056	0.2
129.06981	0.3
131.08647	0.4
133.02855	0.3
133.06490	0.6
133.10150	0.3
134.03607	0.4
135.04401	1.0
135.08113	0.2
137.02319	0.2
137.09599	0.2
144.05702	0.3
145.06471	0.8
145.10123	0.3
147.04378	0.4
147.11729	0.2
147.55875	0.2
149.02330	2.2
149.09595	0.4
151.03893	0.3
157.06491	0.3
159.08078	1.0
159.09299	0.2
161.02322	2.7
161.05933	0.4
162.06778	0.3
163.03889	0.8
163.07579	0.4
165.01830	0.6
165.09102	0.5
167.03348	1.0
169.04872	0.3
171.08009	0.2
173.05975	0.3
174.06644	0.2
175.03934	0.3
177.01842	0.3
177.05463	0.3
177.09140	0.2
179.03392	7.0
181.04919	0.8
183.02899	0.7
183.04404	0.4
185.06050	0.2
187.03831	0.5
187.07574	0.5
189.05528	0.3
190.06194	0.9
191.03391	2.8
191.07039	0.4
193.04955	0.6
197.04427	5.0
197.05917	0.3
199.07520	0.4
201.05396	1.1
202.06250	0.6
203.03374	1.5
203.06990	0.4
205.04910	1.1
205.08563	1.2
209.04437	0.7
211.07555	0.2
213.05441	0.7
215.06985	1.2
217.04958	0.2
218.05606	0.4
220.07269	0.4
221.04483	0.7
223.11339	0.2
227.07050	0.3
231.06479	0.3
233.08055	10.4
235.05894	0.3
237.05438	0.4
239.06970	0.2
241.08603	0.2
243.06517	0.6
251.06860	0.4
251.09105	0.6
255.06526	0.9
261.09055	0.4
263.07196	0.2
264.07745	0.2
265.04968	0.6
265.08725	0.2
267.06458	1.1
269.08133	0.5
269.11743	1.1
275.20093	0.5
278.09695	0.3
279.06573	0.3
279.10077	0.9
279.12787	0.6
280.03662	0.2
281.04459	0.5
281.08136	1.1
281.11533	0.2
282.08841	0.5
283.06091	1.0
283.08981	0.2
288.07892	0.2
291.06375	0.3
293.11752	0.4
295.06058	2.1
296.10538	0.2
297.07590	0.8
297.11185	3.0
297.13815	0.5
299.05472	0.8
301.07053	0.2
303.06613	0.6
305.04187	0.2
305.07697	0.3
306.08722	0.3
307.06161	0.4
307.09494	0.3
309.07523	0.5
311.05396	0.6
311.09213	0.2
311.12769	0.7
313.07016	7.1
316.07181	0.6
317.08038	0.7
319.05850	1.1
321.07596	0.4
321.11136	0.4
323.05481	0.2
325.07025	2.2
325.10767	0.5
327.08582	0.3
331.09647	1.0
333.07550	0.5
334.08444	1.2
335.08792	0.4
336.09604	0.2
337.07001	2.5
339.08551	1.0
339.12195	0.6
349.10675	4.4
349.16641	0.4
349.23676	0.3
350.10934	0.2
351.08554	0.8
352.09351	1.2
367.11737	100.0
368.12079	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	367.117
Annotation	Candidusin C
Peak:m/z	Relative Intensity
51.92881	0.2
53.03889	0.5
54.60293	0.2
55.01804	0.8
55.02039	0.3
55.02900	0.3
55.05436	1.4
57.03362	1.4
57.07025	0.5
60.18309	0.3
61.02847	2.7
65.03879	0.3
67.05422	3.8
69.03354	0.7
69.06985	1.6
71.04927	0.3
71.08562	0.3
72.08099	0.3
73.02825	1.3
79.05482	2.6
81.03336	0.5
81.07048	4.3
83.04901	0.6
83.08517	1.0
85.02898	2.8
85.06476	0.6
91.03938	2.4
91.05478	2.8
93.07030	2.6
95.04875	1.1
95.08597	3.2
97.02286	0.2
97.02875	2.0
97.06435	0.8
97.10075	0.4
99.04318	0.3
99.07990	0.4
99.08641	0.2
105.07023	2.1
107.04870	0.8
107.08587	2.0
109.06432	0.3
109.10153	2.2
111.08037	0.3
117.06949	0.6
119.04813	0.3
119.08488	1.0
121.02853	2.2
121.06425	0.4
121.10082	1.2
123.04351	0.5
123.07956	0.8
123.11681	0.6
125.09528	0.3
127.03811	0.7
129.06877	0.5
131.08409	0.9
133.10100	3.3
135.04297	0.8
135.07938	0.3
135.11603	0.7
137.09549	0.6
145.06465	0.4
145.10011	1.0
147.04340	0.3
147.11574	0.8
149.09486	0.8
149.13196	0.4
151.11140	1.8
155.08469	0.2
157.01524	0.4
157.06401	0.3
159.11612	0.7
161.09518	0.3
161.13127	0.3
163.11111	0.5
165.12625	0.3
166.98459	0.3
171.11583	0.4
173.05850	0.7
173.13132	0.5
178.98448	0.3
179.14195	0.3
185.05803	0.3
189.05370	0.9
190.06120	0.5
197.05905	0.3
203.06824	0.2
205.08759	0.4
213.05429	0.4
217.04904	0.4
217.08591	0.2
219.02812	1.2
247.20346	0.4
253.14287	0.5
261.09048	0.5
275.20035	2.3
277.08618	0.3
279.06177	0.3
279.10056	0.5
289.08377	0.8
291.06433	0.7
293.20996	1.7
295.06100	0.3
297.07498	0.8
298.04605	1.3
299.05423	0.3
306.08777	0.3
307.06107	0.3
307.09509	1.3
308.06699	0.3
309.03955	0.5
309.07541	0.7
310.04785	1.3
311.02365	0.4
311.05447	1.1
313.06985	2.4
317.07904	0.7
319.05878	0.8
321.07510	0.9
323.05554	3.2
323.09094	0.7
324.06146	1.0
324.09723	0.3
325.07050	2.2
333.07452	0.3
333.14880	0.5
334.08350	1.6
334.15314	0.6
335.09143	1.5
337.07010	45.3
338.07416	2.4
338.11282	0.5
339.08356	0.4
339.11862	0.5
349.10696	1.4
349.23444	0.5
351.08664	0.9
352.09335	3.8
367.11725	100.0
368.12057	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	367.1172
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
50.91323	0.2
55.01867	0.3
55.59483	0.2
57.07053	0.2
65.03939	0.6
67.05482	0.9
68.99785	0.5
69.03433	0.3
69.99399	0.4
69.99812	0.6
76.27563	0.2
76.28011	0.2
77.03945	0.2
79.05476	0.7
80.65684	0.2
81.03409	0.5
81.07040	0.7
85.02901	0.4
91.05450	0.4
93.07024	0.3
95.04944	0.6
95.08607	0.3
98.21523	0.2
98.27422	0.2
102.91100	0.2
103.05456	0.4
105.03316	0.3
105.07018	0.9
107.04945	1.0
107.08594	0.4
107.71284	0.2
108.40761	0.2
115.05429	0.3
117.07014	0.7
121.02888	1.3
121.06516	0.2
123.04433	0.9
129.06990	0.4
131.04930	0.2
131.08507	0.2
133.06500	0.6
134.03621	0.6
135.04399	1.0
137.02325	0.5
137.09566	0.2
145.06454	0.9
147.04393	0.4
149.02345	2.5
151.03868	0.4
157.06444	0.4
159.08098	1.1
161.02309	2.3
162.06810	0.3
163.03873	0.8
163.07492	0.4
165.01813	0.9
165.09195	0.4
167.03357	0.6
173.05952	0.4
175.03943	0.4
176.01035	0.2
177.01682	0.2
177.05475	0.3
177.09081	0.2
179.03377	7.9
180.03737	0.3
181.04959	0.8
181.06477	0.3
183.02895	0.5
187.03922	0.5
187.07544	0.3
189.05452	0.3
190.06197	0.9
191.03375	2.3
191.06975	0.5
193.05017	0.3
197.04434	4.7
199.07596	0.3
201.05440	1.7
202.06204	0.4
203.03424	1.7
205.04956	1.0
205.08588	1.2
209.04474	0.5
213.05417	0.6
213.09106	0.2
215.06935	1.1
217.04947	0.2
218.05721	0.3
220.07405	0.3
221.04491	0.6
223.11201	0.4
227.07014	0.5
231.06651	0.2
233.08058	10.7
237.05594	0.2
237.09047	0.2
240.04301	0.2
241.08682	0.4
243.06528	0.3
251.06886	0.3
251.09122	0.7
253.04918	0.3
255.06572	0.7
261.09146	0.4
263.07242	0.2
264.07791	0.5
265.04910	0.6
265.08633	0.3
267.06555	0.7
269.08044	0.4
269.11688	1.2
275.20142	0.3
277.08554	0.2
278.09259	0.3
279.07211	0.3
279.10101	1.3
280.03757	0.3
281.04419	0.6
281.08057	0.7
282.08841	0.5
283.05942	0.7
288.07925	0.3
291.06516	0.3
293.04813	0.2
293.11691	0.5
295.06006	2.3
296.06699	0.3
297.07941	0.3
297.11154	2.9
299.05472	0.5
301.06989	0.5
303.06686	0.3
307.05975	0.5
307.09344	0.3
309.07455	0.3
311.05508	0.4
311.12784	0.5
313.07031	6.7
314.07382	0.2
316.07306	0.6
317.08008	0.6
318.08975	0.2
319.05869	1.0
320.06656	0.2
321.07709	0.4
321.11081	0.5
323.05505	0.4
325.07034	2.1
325.10596	0.4
327.08600	0.3
331.09705	1.1
333.07602	0.4
334.08319	1.3
335.08887	0.5
337.06964	2.7
339.08591	1.0
339.12366	0.4
349.10660	4.2
351.08569	0.8
352.09436	1.3
367.11734	100.0
368.12097	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	367.1172
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
55.05458	0.8
67.05441	1.7
69.07024	0.6
70.14182	1.5
79.05426	1.2
81.06982	1.5
83.08530	0.6
91.05406	1.5
93.06981	1.1
95.04892	0.5
95.08540	1.5
97.06438	0.4
98.20792	0.5
98.97530	0.4
103.05392	0.5
105.06963	1.1
107.04874	1.1
107.08516	1.4
109.10082	1.2
115.05375	0.8
117.06948	0.7
119.04930	0.5
119.08540	1.0
121.02792	1.3
121.06403	0.5
121.10143	0.6
123.04406	0.8
129.06967	0.7
131.04861	0.7
131.08539	0.7
134.03548	0.7
135.04337	1.4
145.06410	0.6
145.10034	0.5
147.04405	0.5
147.11554	0.5
149.09483	0.5
151.03896	0.4
159.04439	3.9
159.11636	0.6
171.04341	0.5
171.11682	0.4
172.05040	0.4
173.05908	0.6
185.05859	1.4
187.07431	1.3
189.05380	1.3
194.02084	0.7
195.02863	0.7
197.95061	0.4
201.05392	1.0
203.03360	2.3
203.06969	1.6
203.65794	0.4
213.05450	10.8
214.06056	0.5
215.10641	0.4
218.05573	0.5
221.04456	2.3
225.05463	0.5
231.06444	0.9
232.08742	0.6
233.11752	0.7
236.06717	1.3
241.05060	0.6
253.04984	0.8
253.08498	0.9
254.05675	0.6
265.04904	0.7
267.06458	1.6
269.07956	0.5
270.05209	0.8
275.20035	1.1
277.08502	0.9
281.04373	1.1
281.08044	2.4
282.05136	0.6
289.08295	0.6
291.06354	0.6
292.07214	1.4
293.04428	0.5
293.07837	0.6
293.11563	0.4
293.21051	0.5
295.05963	4.5
295.09470	1.3
296.06717	0.9
296.10248	0.7
297.07733	1.9
298.04678	7.1
301.07086	0.9
303.10193	1.6
306.08868	0.8
307.06256	0.6
307.09631	1.6
309.07465	4.4
310.04724	1.3
310.08075	0.6
311.05322	1.5
311.08914	0.4
313.07001	9.3
317.07932	1.3
319.05884	0.6
320.06805	1.7
321.07584	0.9
323.05411	1.2
323.09003	0.7
324.06253	1.3
325.07034	3.0
325.10602	1.0
331.09634	10.5
333.07410	2.8
334.08279	3.9
335.09048	1.3
337.07065	9.8
338.07651	2.6
339.08694	1.2
339.12500	0.7
349.10678	59.8
350.10980	2.8
351.08676	1.2
352.09360	13.4
353.09897	0.8
367.11743	100.0
368.12085	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	367.1172
Annotation	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
50.64223	0.3
55.01858	0.8
55.05497	0.9
57.03422	0.6
57.07071	0.3
65.03905	0.4
67.05508	2.2
69.07073	1.6
69.91422	0.8
69.91835	0.8
79.05486	1.8
81.03411	0.7
81.07050	2.1
83.04982	0.4
83.08591	0.4
91.05459	1.4
93.07035	1.1
94.73745	0.2
95.04964	0.3
95.08605	1.2
97.06516	1.0
97.10149	0.3
105.03407	0.6
105.07020	1.4
107.04950	1.0
107.08591	1.6
109.06488	0.5
109.10146	0.5
117.07020	0.4
119.08565	1.0
121.02844	0.8
121.10126	0.7
123.04412	1.1
123.11777	0.3
128.06247	0.4
129.06961	0.5
131.08562	0.5
133.10088	0.6
134.03645	0.9
135.04382	0.7
135.11665	0.6
137.02338	2.3
145.10121	0.4
147.08112	0.3
147.11687	0.5
149.02364	0.5
149.09622	0.4
157.06462	0.5
159.11720	0.6
161.02344	0.7
167.03394	0.3
181.06447	0.6
185.05963	0.4
186.06839	0.5
191.03438	0.5
195.08086	0.3
197.05966	0.6
199.07599	0.3
201.05482	0.4
203.03391	0.4
205.10260	0.4
213.05481	3.7
214.06186	1.0
215.07144	0.4
225.05457	1.2
229.14601	0.4
237.05455	1.3
239.07083	0.6
241.04956	2.2
241.08604	0.4
253.04878	1.4
255.06525	1.0
265.04837	0.5
265.08572	0.3
267.06540	2.3
269.04437	2.4
269.07980	0.4
270.05200	4.2
271.05936	1.0
275.20093	1.6
279.06436	0.6
281.04453	7.9
281.07715	0.7
282.04916	0.4
283.05975	7.1
283.09015	0.6
288.07852	0.3
290.09366	0.4
293.07962	0.7
294.05280	0.4
295.06009	1.2
295.09482	0.6
297.04468	0.5
297.07639	1.2
298.04715	1.0
299.05457	2.0
301.07178	0.4
305.08069	0.7
306.08887	0.6
307.06012	2.6
309.07632	1.0
310.04706	0.8
311.05518	0.8
313.07031	11.7
314.07468	0.5
317.08023	0.4
321.07581	0.8
321.11099	0.5
323.05457	1.0
323.09171	3.2
324.06180	0.7
324.09677	0.5
325.07071	3.2
327.08569	0.4
334.08340	0.9
335.08984	1.2
336.10052	0.5
337.07074	5.6
338.07614	0.9
339.08502	1.2
349.06717	0.5
349.10693	7.1
349.23645	0.9
351.08649	1.4
352.09393	2.8
367.11743	100.0
368.12106	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	367.1175
Annotation	Barpisoflavone C
Peak:m/z	Relative Intensity
53.03949	0.6
55.01876	0.3
55.05497	0.7
56.86683	0.3
57.03410	0.6
57.69514	0.4
65.03951	0.6
67.05491	2.2
69.03430	0.4
69.07062	1.1
69.83523	0.3
79.05491	1.5
81.03415	1.5
81.07040	2.5
83.08618	0.5
85.02898	0.4
91.05466	1.3
93.07030	0.9
95.04964	0.4
95.08598	1.8
97.02898	0.4
97.06498	0.4
100.30556	0.4
105.03439	0.4
105.07020	1.4
107.08575	1.1
109.02872	0.7
109.10170	0.9
117.07037	0.4
119.08584	1.0
121.02885	1.6
121.10123	0.6
123.04443	1.0
123.08161	0.4
125.09614	0.4
129.07030	0.5
133.10129	0.9
134.03654	1.2
135.04407	1.5
135.37959	0.4
137.02330	1.4
139.03868	0.5
141.01770	0.3
143.08554	0.5
147.04414	0.5
149.02339	1.0
149.09616	0.7
153.06998	0.6
159.08044	0.6
161.02362	1.6
163.03917	0.5
167.03413	1.3
175.07475	0.4
177.01820	0.7
181.06493	1.0
183.02873	0.7
187.03987	0.5
187.14809	0.4
189.05331	0.3
191.03343	0.6
195.02896	1.9
195.87045	0.4
199.07518	0.8
201.05466	0.6
203.03355	0.8
209.05984	0.9
227.07024	1.2
233.08054	0.6
235.07690	0.4
237.05382	2.0
239.07072	0.6
245.04367	0.4
247.07576	0.4
251.06947	0.4
255.06546	1.0
261.09088	0.7
263.88440	0.4
265.04935	0.9
267.06512	0.5
269.08093	1.0
270.05325	0.8
271.05966	0.5
275.10602	0.5
275.20084	0.6
279.06595	0.7
281.04575	0.4
281.07764	0.8
283.06000	12.4
284.06473	0.4
289.03528	0.5
290.09479	0.7
293.04535	0.6
293.07922	0.5
293.11688	0.6
295.05878	0.5
296.06793	0.4
297.07602	1.4
298.04675	0.5
299.05530	3.2
301.06937	0.5
306.08865	1.2
309.07510	0.8
310.04749	1.0
311.05475	17.8
312.06006	1.0
313.07040	19.0
314.07327	0.6
319.06027	0.5
321.07532	1.9
321.11011	0.8
323.05536	1.8
323.08887	0.5
324.06277	0.9
325.07089	3.6
325.10562	0.6
327.08563	0.8
333.07663	0.7
334.08350	1.4
335.09198	1.2
336.09866	0.8
337.07040	9.0
337.11014	0.5
338.07758	0.7
339.08588	2.0
339.12173	0.6
349.10632	7.1
349.23587	0.6
351.08597	2.2
352.09268	2.8
367.11737	100.0
368.12100	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	367.1175
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03948	0.4
54.88438	0.3
55.01854	0.6
55.05498	1.3
56.96559	0.4
57.03415	1.0
57.07067	0.3
59.04982	0.3
60.40848	0.3
65.03927	0.4
67.05500	2.4
69.03433	0.4
69.07068	1.5
69.47342	3.1
70.04085	0.4
71.04968	0.3
72.08125	0.4
79.05495	1.9
81.03425	0.4
81.07052	3.7
83.04963	0.6
83.08590	0.5
85.06541	0.8
91.05473	2.4
91.37346	0.3
93.07033	2.1
95.04944	0.7
95.08604	2.3
97.02903	0.5
97.06507	0.9
97.10173	0.7
105.07043	1.7
107.04965	0.5
107.08595	2.0
109.06484	0.7
109.10149	1.1
111.08115	0.5
115.99203	0.3
116.25205	0.3
117.06983	0.6
119.08552	1.2
121.02905	0.5
121.06473	0.5
121.10135	1.2
123.04399	1.3
123.08093	0.5
123.11652	0.7
125.09660	0.4
131.04811	0.3
131.08559	1.1
133.10139	1.1
134.03607	1.0
135.08034	0.6
135.11705	0.8
137.05995	0.4
145.06427	0.4
145.10114	1.2
147.04424	0.5
147.08073	0.4
147.11682	0.6
149.09621	0.5
151.07553	0.5
155.08572	0.5
157.10100	0.4
159.08069	0.4
159.11659	0.8
161.02174	0.4
161.13310	0.3
163.03888	0.4
165.01819	0.4
165.05435	0.4
165.06888	0.3
172.05144	0.4
175.03896	0.4
177.01781	0.4
181.06497	0.4
183.02948	0.5
185.05971	0.5
185.13336	0.4
187.07571	0.5
189.09230	0.4
189.12764	0.4
191.03362	0.4
194.02089	0.5
201.05521	0.7
201.09169	0.4
203.03386	1.7
211.07608	0.4
213.05461	0.8
218.05679	0.4
221.04402	2.9
226.06255	0.4
233.09758	0.3
236.06760	1.2
237.05481	0.5
239.07112	0.4
241.04910	1.0
253.04965	1.1
253.08583	0.9
254.05821	0.5
261.09073	0.5
263.07031	0.6
265.04935	0.7
267.06564	4.0
269.04648	0.3
269.08124	0.6
270.05219	0.6
275.20023	1.5
277.08572	0.8
278.09354	0.4
279.06528	0.5
281.04449	1.2
281.08054	3.0
282.05231	1.0
282.08377	0.4
283.05942	0.6
285.07562	0.4
289.08646	0.4
291.06494	0.5
292.07272	1.0
293.04196	0.5
293.07980	0.4
294.05139	0.6
295.06039	2.3
295.09653	1.2
297.07578	4.9
298.04715	7.7
298.07758	0.5
299.05145	0.6
301.06970	0.7
305.08124	0.5
306.08905	0.7
307.09680	0.9
309.04160	0.5
309.07568	5.2
310.04688	1.6
310.08139	0.9
311.05597	0.6
311.09091	0.6
313.07028	10.6
313.10669	0.5
314.07336	0.5
316.07492	0.5
317.08133	1.3
319.06076	0.8
320.06696	1.6
321.07489	0.6
321.11087	0.7
322.04709	0.8
323.05499	1.3
323.09058	0.7
324.06143	1.1
324.09644	0.4
325.07034	3.4
325.10675	1.4
326.07559	0.4
327.08612	0.5
331.22672	0.4
333.07742	0.6
334.08328	2.5
335.09021	1.9
337.07025	11.9
337.11044	0.6
338.07700	2.9
339.08588	1.0
339.12234	1.4
349.10660	5.9
349.23746	1.0
351.08508	1.0
352.09363	14.8
353.09671	0.7
367.11749	100.0
368.12131	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	367.1175
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03926	0.2
55.01862	0.3
55.05513	0.6
57.03434	0.3
57.07059	0.2
59.04989	0.1
65.03937	0.3
65.17191	0.1
67.05206	0.2
67.05504	1.6
67.37172	0.1
68.41043	0.1
68.78501	0.1
68.99776	0.3
69.03412	0.4
69.07066	0.7
69.63985	0.9
70.04076	4.5
71.04413	0.1
71.14693	0.1
72.08134	0.3
76.49283	0.1
77.60950	0.1
79.05489	1.0
81.03432	0.3
81.07050	1.7
83.04961	0.4
83.08599	0.4
83.41336	0.1
85.02893	0.3
85.06535	0.3
91.05472	1.1
92.99728	0.2
93.07021	1.0
95.04981	0.7
95.08601	1.1
97.02873	0.6
97.06519	0.5
97.10157	0.3
98.97474	0.1
105.03369	0.4
105.07018	1.4
107.04920	1.0
107.08596	1.1
109.02865	0.2
109.06503	0.4
109.10143	0.7
111.08108	0.1
115.05446	0.2
117.07016	0.8
119.04961	0.3
119.08582	0.8
121.02858	0.5
121.06482	0.3
121.10114	0.5
123.04424	0.5
123.08083	0.2
123.11682	0.2
125.09624	0.4
128.06300	0.2
129.06996	0.3
131.04915	0.3
131.08557	0.4
133.02824	0.2
133.06453	0.3
133.10097	0.5
134.03647	0.7
135.04419	0.5
135.08051	0.2
135.11671	0.4
137.02408	0.1
137.05962	0.2
137.09576	0.3
139.11165	0.1
141.06926	0.2
144.05748	0.2
145.06450	0.4
145.10107	0.7
147.04416	0.7
147.11679	0.6
148.05122	0.2
149.02325	0.6
149.05998	0.2
149.09631	0.5
149.13235	0.2
151.03876	0.5
151.11101	0.2
157.06424	0.2
157.10170	0.3
158.07204	0.2
159.08002	0.5
159.11673	0.4
161.02354	1.4
161.03600	0.2
161.06004	0.2
162.06746	0.2
163.03888	0.4
163.07529	0.2
163.11157	0.2
165.01781	0.3
165.09113	0.2
167.03381	0.6
167.07191	0.1
171.08029	0.1
173.05904	0.3
173.13351	0.1
175.03897	0.4
175.07469	0.1
176.01117	0.2
176.04727	0.2
177.01843	0.3
177.05505	0.1
179.03386	2.6
181.04988	0.4
181.06541	0.2
182.06982	0.1
183.02919	0.4
185.06006	0.2
185.13335	0.3
187.03922	0.2
187.07545	0.3
187.14841	0.2
189.01881	0.2
189.05464	0.3
190.06192	0.5
191.03450	0.9
191.07024	0.4
193.04926	0.2
194.02148	0.3
197.04449	2.5
197.06041	0.3
201.05458	1.2
202.06131	0.2
203.03397	1.4
203.07030	0.2
205.04927	0.4
205.08556	0.7
207.02924	0.3
209.04347	0.3
213.05511	0.4
215.06998	0.4
218.05728	0.3
219.06435	0.4
219.08223	0.2
221.04410	1.5
223.07599	0.2
225.05478	0.2
227.07063	0.2
231.06494	0.3
233.08067	8.0
234.08293	0.2
236.06749	0.6
237.05667	0.2
237.08994	0.2
239.07103	0.2
241.04980	0.4
241.12303	0.2
247.07639	0.2
251.06885	0.3
251.09122	0.4
253.04889	0.5
253.08594	0.5
254.05942	0.2
255.06535	0.4
257.19052	0.3
261.09048	0.3
263.07034	0.4
264.07690	0.3
265.04996	0.6
265.08566	0.3
267.06512	1.4
269.08163	0.4
269.11758	0.6
270.05267	0.3
275.20050	1.0
277.08591	0.5
278.09424	0.3
279.06622	0.4
279.10172	0.8
281.04468	0.5
281.08090	1.6
282.05188	0.7
282.08505	0.3
283.06064	0.3
285.07507	0.2
289.08615	0.4
291.06546	0.4
292.07346	0.4
293.04446	0.5
293.08029	0.3
293.11517	0.3
294.05273	0.3
295.06012	1.9
295.09634	0.6
296.07047	0.2
296.10498	0.4
297.07571	1.2
297.11237	1.4
298.04715	3.7
299.05286	0.2
301.07089	0.4
306.08853	0.4
307.06195	0.3
307.09665	0.6
309.07532	3.3
310.04672	0.8
310.07986	0.2
311.05460	0.6
311.09158	0.4
311.12799	0.5
313.07022	7.6
314.07401	0.2
317.08017	0.6
319.06067	0.8
320.06693	0.5
321.07794	0.2
321.11313	0.4
322.04703	0.3
323.05432	0.7
323.09061	0.4
324.06250	0.4
324.09802	0.2
325.07047	2.9
325.10678	0.9
326.07468	0.2
327.08563	0.3
331.09592	0.5
333.07489	0.4
334.08377	2.2
335.08945	1.1
336.06302	0.2
336.09900	0.3
337.07031	5.7
337.11078	0.3
338.07846	1.3
339.08490	0.9
339.12012	0.9
347.09128	0.7
349.10657	3.2
349.23810	0.9
350.11075	0.2
351.08710	1.1
352.09399	7.8
353.09631	0.5
365.10162	1.4
367.11743	100.0
368.03952	0.5
368.12091	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	367.1173
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
53.03920	0.3
55.01833	0.6
55.05497	1.7
55.93499	0.3
57.03397	1.0
57.07048	0.6
59.38872	0.3
60.29859	0.2
61.02921	3.0
65.03894	0.4
67.05497	4.2
69.03397	0.7
69.07024	1.0
69.98149	1.6
71.04965	0.5
73.02911	1.4
79.05493	2.8
81.03371	0.8
81.06587	0.2
81.07044	4.4
82.07340	0.3
83.04938	0.6
83.08567	1.2
85.02895	2.8
85.06515	0.5
91.03481	0.2
91.03948	2.9
91.05482	2.5
93.07037	2.7
95.04914	0.9
95.08597	2.7
97.02898	1.7
97.06487	0.6
105.07023	2.0
107.04907	1.2
107.08591	2.3
109.02808	0.3
109.06490	0.6
109.10145	2.2
111.04404	0.5
113.09665	0.3
117.06986	0.6
119.04840	0.4
119.08510	1.0
121.02863	2.4
121.06428	0.3
121.10095	1.0
123.04385	0.6
123.08049	0.5
123.11701	0.4
125.09583	0.3
127.03838	0.3
129.07007	0.5
131.08498	1.0
133.10114	2.4
135.04346	1.0
135.11623	0.6
137.09581	0.6
137.13147	0.4
145.04883	0.3
145.06425	0.8
145.10057	0.8
147.04309	0.4
147.11655	0.8
149.09540	0.5
149.13225	0.4
151.11169	1.4
154.99991	0.3
157.10094	0.3
159.11688	0.4
163.11157	0.3
164.98419	0.3
166.98466	0.4
169.10352	0.3
171.04337	0.5
171.11627	0.5
173.05879	0.6
173.09648	0.3
177.12794	0.3
179.10573	0.4
180.98920	0.3
185.05884	0.5
189.05399	0.6
190.06178	0.8
191.03278	0.4
213.05450	0.3
217.05077	0.4
219.02864	1.2
229.19524	0.3
231.06602	0.3
236.98924	0.5
237.03999	0.7
253.14307	0.4
261.09055	0.6
263.06989	0.7
275.20026	2.1
277.08615	0.6
279.09988	0.5
281.07904	0.4
283.06058	0.4
289.08575	1.0
291.06470	0.7
292.07019	0.4
293.21017	1.0
295.05826	0.4
297.07452	0.9
298.04596	1.7
306.08878	0.5
307.06265	0.4
307.09445	1.3
309.03659	0.6
309.07376	0.6
310.04636	1.2
311.05426	1.3
313.06967	2.6
317.08160	0.7
319.06073	1.0
320.06750	0.4
321.07568	0.7
321.11166	0.5
323.05444	3.4
323.08966	0.6
324.06149	1.0
325.07135	2.2
331.09418	0.4
333.07645	0.3
333.14969	0.8
334.08383	2.1
334.15372	0.9
335.09103	1.0
337.07025	52.5
338.07336	2.1
338.11172	0.6
339.08392	0.4
339.12085	0.5
349.10507	1.5
351.08588	1.1
352.09366	4.1
367.11728	100.0
368.12048	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	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77424	0.4
53.03937	1.0
53.41774	0.4
55.05509	8.8
57.03422	1.8
57.07057	0.5
57.94138	0.4
58.06596	3.1
59.04994	3.3
61.02918	1.0
67.05492	0.6
69.03426	5.8
70.06584	0.8
70.69155	1.7
71.04984	1.3
72.08147	2.1
73.02914	1.6
81.03413	3.0
83.04978	5.6
84.08138	51.5
85.02897	16.5
85.03410	0.5
85.06535	2.0
86.06063	1.5
87.04471	2.7
96.27634	0.5
97.02896	3.6
99.04446	1.9
100.11250	3.0
101.06007	24.6
109.02873	1.8
110.48637	0.4
111.04444	1.0
127.03905	2.5
128.10709	29.6
145.04938	0.8
146.09306	1.3
146.11752	20.6
147.04390	0.8
188.07040	0.6
188.12769	2.5
200.07027	0.5
230.11827	0.5
230.13942	1.4
246.26266	0.6
248.14847	1.1
254.14020	0.7
259.14301	0.5
272.14923	3.5
277.15506	0.9
287.14468	0.5
290.15967	22.5
291.16470	0.9
331.16718	1.4
348.12720	0.5
360.06641	0.5
366.21310	100.0
367.21808	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	367.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12407	0.9
52.90765	1.1
54.11683	1.1
63.33574	1.1
71.00469	2.4
71.00847	2.4
80.05638	1.0
85.28837	1.1
89.43823	1.2
91.17580	1.2
98.97566	1.5
108.77204	1.1
185.04242	3.7
187.02733	1.4
187.04579	2.8
196.80096	1.3
203.05203	7.9
204.05632	2.9
205.05711	7.8
243.06560	1.2
247.04765	2.7
367.10242	100.0
368.10391	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00356	0.6
67.98954	0.7
69.52194	5.0
74.06522	0.6
76.21313	0.7
78.94864	0.5
85.07899	0.7
93.42414	0.6
93.68095	0.7
116.98585	1.1
119.01897	2.4
134.99660	1.7
137.02945	1.8
177.00923	7.7
179.00693	1.1
183.06177	1.0
201.07184	1.8
217.04013	1.1
218.03725	1.0
219.01981	13.0
220.02173	1.0
221.01859	1.8
225.00893	0.8
235.00002	5.2
236.99713	0.8
240.98915	1.3
242.03638	1.0
243.02095	1.4
253.01122	3.6
258.99963	12.8
260.00162	1.2
260.04819	1.2
261.00061	2.2
261.03036	35.3
262.03290	1.1
263.02902	1.0
264.99115	2.7
277.01028	27.3
278.01074	2.8
279.00934	5.5
282.99957	29.0
283.06317	1.3
284.00079	1.7
284.04541	1.8
285.00000	1.1
291.99701	1.0
300.02414	0.7
301.01035	100.0
302.01086	5.5
303.01053	2.0
303.11829	0.6
319.02127	8.8
324.02744	4.7
325.00943	5.8
325.07123	0.8
342.01810	7.2
343.02087	43.3
343.08533	1.7
344.02313	2.0
361.03156	20.4
362.03180	0.8
366.03351	2.7
384.03561	4.6
384.96536	0.8
385.03000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2683
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01854	0.5
55.05507	2.1
57.03408	0.4
57.07027	2.4
64.41286	0.3
67.05496	2.3
69.07058	4.1
69.37112	0.3
69.94885	2.0
71.08603	0.7
78.36780	0.3
79.05436	1.4
79.05840	0.3
81.07052	4.6
83.04949	0.7
83.08566	1.1
85.02880	0.4
85.06541	1.6
91.05420	1.5
93.07043	2.5
95.04907	0.7
95.08598	3.4
96.47908	0.3
97.06485	1.5
97.07063	0.3
99.08035	0.5
105.07001	1.8
107.08585	3.4
109.06537	2.0
109.10152	1.7
111.04436	1.8
111.08022	0.7
119.08539	1.2
121.10130	1.8
123.04386	0.4
123.08054	5.3
123.11611	0.4
124.08811	0.9
125.05977	1.6
131.08495	0.6
133.10069	0.7
135.08015	1.8
135.11670	1.6
137.05919	1.5
137.09578	0.6
139.07477	0.5
145.10060	1.2
147.11604	0.9
149.09573	0.7
149.13194	0.4
151.07552	3.1
152.08322	3.0
153.12637	0.6
159.11639	0.8
161.09569	0.5
161.13261	0.4
163.11125	0.4
165.07770	0.6
165.09096	11.4
165.12688	1.3
166.09770	1.2
175.11131	0.8
177.09076	0.6
177.12650	0.4
179.10608	1.4
179.14246	0.7
181.12230	0.7
187.14655	0.4
193.12314	0.8
195.13756	0.7
201.16347	0.4
203.05263	0.8
205.15814	0.4
208.14578	2.1
217.14305	0.4
219.13782	0.5
221.15364	2.1
221.18887	0.7
249.18439	1.3
263.19992	1.1
287.23657	0.4
291.19638	0.4
305.21277	0.3
305.24716	8.6
319.26321	4.3
337.27399	0.5
347.25787	44.8
348.26120	2.2
365.10098	2.1
365.26852	100.0
366.27243	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	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01875	0.2
55.05498	0.6
57.03417	0.2
57.07079	2.0
58.06599	0.2
59.76460	0.2
66.90794	0.2
67.05505	1.2
67.46210	0.1
69.07067	1.1
69.81537	1.0
79.05486	0.8
81.07055	1.1
83.04971	0.4
83.08628	0.4
85.06538	0.8
85.79594	0.2
91.05485	0.6
93.07056	1.1
95.04958	0.7
95.08614	1.3
98.20735	0.3
105.07032	0.8
107.08587	1.0
107.35623	0.2
109.06515	1.3
109.10145	0.7
111.08089	0.2
119.08570	0.7
121.06509	0.2
121.10167	0.6
123.08054	2.9
123.11687	0.4
124.08845	1.3
125.06018	0.4
130.99843	0.2
131.08553	0.5
133.10139	0.5
135.08043	0.9
135.11708	0.3
137.05942	0.6
137.09610	0.3
139.07477	0.4
143.08487	0.2
145.10114	0.4
147.11662	0.4
149.09666	0.3
151.07527	3.0
151.11105	0.3
152.08321	5.8
153.08838	0.3
157.10129	0.4
159.11681	0.3
161.09619	0.4
165.09108	8.2
165.12779	0.3
166.09795	0.3
169.10193	0.2
177.09062	0.3
177.12752	0.4
179.10670	2.2
179.14149	0.2
181.12202	0.3
185.13274	0.3
185.15846	0.2
194.13019	3.6
195.13622	0.4
203.05246	0.3
207.13773	1.6
221.15494	0.2
229.78262	0.2
235.16948	0.7
249.18515	0.8
262.37781	0.2
263.20035	1.9
277.21771	0.3
305.21188	0.2
319.26239	1.3
337.27322	0.3
347.25803	15.6
348.26123	0.8
365.10751	1.8
365.26849	100.0
366.27182	5.6
369.32465	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	365.2684
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.24178	0.5
55.01861	1.0
55.05500	1.4
56.44759	0.5
57.07070	2.7
67.05492	2.4
69.07056	3.3
71.61793	0.7
71.62228	0.7
79.05467	2.3
81.07040	2.9
83.08587	1.2
85.06544	1.3
91.05448	1.3
93.07034	2.6
95.08601	1.8
97.06538	1.1
105.06986	1.7
107.08592	2.7
109.06494	2.1
109.10134	1.2
111.08097	0.7
119.08575	1.6
121.10110	1.4
123.08029	3.8
123.11721	0.6
124.08819	1.8
128.06128	0.5
133.10115	1.1
135.08051	1.1
137.05978	1.3
137.09622	0.7
143.08589	0.8
145.10139	0.5
147.11639	0.6
149.09557	0.5
151.07539	3.5
151.11157	0.9
152.08322	6.6
159.11658	0.9
163.18373	0.6
165.09099	9.0
171.11710	0.6
179.10674	2.2
194.13020	4.5
195.13707	0.6
203.05260	0.7
207.13741	1.1
235.16827	1.1
249.18565	1.0
263.20090	1.0
300.74234	0.6
306.25122	0.6
309.03925	1.2
319.26425	1.5
329.24631	0.8
347.09259	1.1
347.25797	20.0
348.26221	1.1
365.10229	6.4
365.26859	100.0
366.10434	0.7
366.27213	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53196	2.2
53.03933	3.9
55.01862	8.9
55.05511	29.4
57.03436	24.6
59.04992	1.9
65.03930	3.1
67.05173	2.6
67.05501	37.1
69.03419	4.5
69.07064	22.4
70.04060	4.8
71.04962	2.7
71.62979	3.8
74.58849	2.2
79.05492	47.0
81.03371	5.3
81.07050	44.8
83.04977	8.0
83.08611	8.7
84.05602	2.8
85.06540	4.4
90.35497	2.1
90.68233	1.8
91.05478	55.8
93.07036	46.7
95.04963	13.2
95.08601	32.8
97.02872	5.2
97.06504	5.2
97.10160	8.8
99.08096	2.2
103.05447	4.3
105.03413	1.9
105.07023	53.9
107.04963	12.3
107.08597	27.8
109.02914	3.0
109.06508	23.8
109.10158	8.5
111.08102	5.3
113.06024	2.4
115.05408	2.9
116.06191	3.2
117.07008	29.1
119.08572	35.2
121.06486	9.5
121.10139	13.6
123.04409	2.4
123.08066	7.7
125.09595	4.9
125.34737	1.8
128.06212	12.7
129.07001	20.3
130.07755	5.2
131.08562	46.7
131.36243	2.3
133.06467	8.6
133.10124	18.6
135.08051	15.9
135.11699	7.5
137.09625	3.8
139.07565	2.3
139.11157	3.6
141.06989	8.1
142.07758	5.8
143.08553	45.6
145.06454	3.2
145.10115	53.5
147.04338	4.0
147.08029	10.4
147.11652	9.0
147.25996	2.1
148.04727	3.0
149.09605	7.7
153.07092	2.5
155.08551	6.7
157.10139	19.5
159.08025	6.7
159.11670	20.1
161.09612	14.8
161.13284	3.8
163.11128	7.0
167.08588	3.0
169.10121	9.4
171.11682	14.8
173.06015	3.7
173.09572	3.5
173.13246	3.4
175.11163	10.1
177.12694	4.8
179.10597	2.3
181.10088	7.3
183.11638	8.9
185.09618	2.3
185.13240	8.0
187.11104	3.1
187.14742	2.8
189.11259	3.6
189.16435	3.8
192.95908	2.3
195.11710	11.8
197.13304	2.8
199.11237	3.0
199.14891	4.0
200.17337	2.6
201.12718	7.5
209.13274	3.4
211.14940	2.7
213.12747	2.2
213.16376	3.0
217.15848	7.6
227.17839	4.3
237.16342	10.2
245.18953	3.2
255.17447	13.1
273.18509	51.5
291.06500	2.3
291.19354	6.1
293.08020	2.4
295.05923	3.2
307.05865	2.9
309.03702	2.9
311.05658	3.9
319.09714	2.6
322.08310	3.0
334.08319	4.8
337.10760	12.6
347.09042	24.1
347.22110	35.0
347.26038	4.3
348.09360	4.9
350.07739	6.5
365.10144	100.0
365.23251	15.4
365.28299	12.9
366.10440	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01862	7.7
55.05499	9.0
57.03429	50.5
57.07053	3.8
57.98609	1.0
65.03918	3.9
67.05496	54.9
69.03432	5.5
69.07051	7.7
71.04984	6.6
79.05052	2.3
79.05484	30.7
79.88016	1.1
81.03391	4.0
81.07047	33.1
82.23663	1.0
83.04964	4.0
83.08604	5.0
85.02902	2.4
85.06532	36.9
87.96256	1.1
91.05466	27.9
93.07030	28.1
95.04955	65.1
95.08604	19.0
97.02895	4.9
97.06522	8.0
97.10155	1.6
98.20767	2.6
99.04411	1.7
99.08068	1.5
103.05428	2.4
105.03329	1.2
105.07014	24.3
107.04932	10.8
107.08580	20.3
109.06503	52.1
109.10122	8.2
111.04444	2.4
111.08078	2.6
113.05989	100.0
115.05431	2.8
117.07001	12.3
119.04947	2.7
119.08553	17.8
121.02805	1.7
121.06464	9.1
121.10136	10.6
123.04407	2.5
123.08044	4.6
123.11678	3.9
125.05959	1.1
125.09562	2.3
127.07568	1.4
128.06197	2.5
129.06973	7.1
131.04910	1.4
131.08557	19.6
133.06479	4.9
133.10112	10.8
135.08032	40.1
135.11668	9.7
137.05942	2.4
137.09653	2.6
139.03914	3.0
142.07811	1.4
143.08556	9.1
144.09387	1.2
145.06461	2.1
145.10097	14.8
147.04399	2.3
147.08031	7.0
147.11671	4.8
149.02351	2.3
149.09587	8.5
149.13237	3.5
151.11165	2.3
153.01837	4.5
153.05403	1.3
153.09088	1.2
155.08560	1.6
157.06516	1.6
157.10101	8.8
159.08041	3.4
159.11673	12.6
161.05960	1.3
161.09605	8.7
161.13257	4.3
163.07550	2.5
163.11162	4.4
169.10060	1.9
171.04440	1.2
171.11688	6.3
173.09599	1.6
173.13243	4.5
175.11194	4.7
175.14845	3.0
177.09044	1.7
177.12740	5.3
181.10115	2.6
183.11679	3.3
185.05988	1.8
185.09557	1.4
185.13277	4.0
187.11116	2.2
187.14734	1.7
189.05443	1.5
189.12746	2.7
189.16331	2.5
191.14282	1.3
193.12180	1.3
195.02921	1.5
195.11676	2.4
195.13814	1.7
199.11307	1.7
199.14798	5.6
201.12772	2.8
203.03381	20.1
203.07060	1.8
213.05566	2.0
217.15840	19.0
219.13786	2.3
221.04449	2.6
221.15475	1.2
227.17978	2.6
231.02867	44.8
231.06538	2.5
232.03316	2.5
233.15372	3.3
237.16446	1.4
245.19003	4.2
255.17361	4.9
259.05936	1.5
263.05438	2.5
263.20117	1.4
273.03882	1.6
273.18451	40.0
283.06125	1.6
285.09946	1.5
291.04965	26.7
291.08286	2.1
291.19498	47.0
292.05402	2.6
295.06006	6.7
307.05832	1.9
307.18854	1.3
308.06393	1.3
309.03931	1.9
311.05435	4.3
315.04993	4.1
318.57318	1.2
319.09531	2.6
321.07700	1.7
323.05353	1.3
323.09741	1.2
337.10690	3.2
347.09335	5.6
347.22253	5.1
350.07852	2.8
365.10162	48.5
365.14737	2.5
365.19354	1.8
365.23166	29.0
365.31946	5.7
366.10336	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	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98926	1.7
53.03936	5.0
55.01864	12.1
55.05510	19.2
56.96552	3.1
57.03429	13.4
57.07061	2.6
59.04981	9.5
65.03918	2.8
65.82339	1.7
67.05498	57.9
67.78582	1.4
68.05812	1.7
68.91550	1.4
69.03413	7.3
69.06755	1.8
69.07061	16.7
69.86588	8.7
71.04989	3.9
79.05486	43.0
81.03403	7.9
81.07048	57.8
83.04974	14.1
83.08606	6.9
85.06538	5.7
91.05470	59.9
93.07036	40.9
95.04958	13.3
95.08595	24.1
97.02889	1.5
97.06515	7.7
97.10145	2.8
98.20792	1.7
103.05441	1.7
105.07026	43.2
107.04939	12.6
107.08582	32.3
109.06498	10.5
109.09471	1.3
109.10136	36.0
111.04433	2.0
111.08067	6.7
113.05956	2.2
115.05435	3.0
117.07002	10.2
119.04910	3.4
119.08573	14.7
121.02843	2.7
121.06494	7.3
121.10128	11.2
123.04404	6.8
123.08051	7.2
123.11682	7.6
125.09613	3.1
127.07554	2.7
128.06181	2.1
129.06982	4.3
131.04927	2.1
131.08539	17.3
133.06468	11.6
133.10117	57.1
135.04355	1.7
135.08023	15.0
135.11656	6.1
137.09607	1.8
139.07506	3.3
143.08513	7.2
145.06430	2.9
145.10121	9.0
147.04359	2.4
147.08067	4.7
147.11694	5.6
149.09595	12.0
149.13254	2.3
151.07500	2.5
151.11162	32.5
157.10098	4.6
159.08032	5.2
159.11702	5.0
161.05948	2.4
161.09625	10.7
161.13211	2.5
163.11221	2.9
165.09108	2.5
169.10130	1.8
169.12138	7.8
171.11700	4.5
175.11258	3.5
177.09114	4.9
179.10675	1.9
185.13216	3.4
187.14645	1.8
189.12730	2.5
197.26555	1.6
199.11160	2.9
205.01352	3.5
209.00789	1.7
213.05426	3.2
215.12720	3.3
217.12091	2.2
221.28850	1.7
227.18008	3.7
231.06697	1.9
245.18994	8.8
251.12820	2.1
253.14294	37.4
255.17509	2.3
263.19968	7.4
269.13815	4.2
273.18497	24.2
279.06335	1.9
291.19510	17.2
295.06033	4.4
307.05795	2.3
309.03915	10.6
309.07562	15.7
309.20526	1.7
310.07855	2.0
311.05460	37.7
312.05807	3.4
323.05695	7.8
325.06998	3.5
327.04901	3.2
337.10550	2.6
347.09091	9.2
347.22229	3.9
350.07816	3.0
365.10168	100.0
365.13956	6.4
365.23129	49.1
366.10510	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57771	0.7
53.03939	1.9
55.01867	6.1
55.05507	5.9
56.96549	0.9
57.03433	43.5
57.07074	2.6
65.03934	2.3
67.05500	39.5
67.05876	1.5
69.03436	1.8
69.07059	6.8
69.87197	2.6
69.87622	2.1
71.04993	4.7
74.34780	0.7
79.05487	17.6
81.03426	2.0
81.07053	18.1
83.04982	2.2
83.08610	2.8
85.06539	37.0
91.05470	17.8
91.06004	1.4
93.07038	18.6
95.04963	53.2
95.08603	12.0
97.02861	0.9
97.06504	2.4
97.10148	1.4
99.04483	1.1
103.05475	0.9
105.07017	13.2
105.07661	1.1
107.04956	7.5
107.08593	12.2
109.06511	42.6
109.10153	3.4
111.08078	1.2
113.06000	100.0
114.06286	1.6
115.05443	0.9
117.07027	8.7
119.08565	9.1
121.06527	3.7
121.10144	5.3
121.10886	0.8
123.08066	3.4
123.11726	1.1
128.06192	1.6
129.06976	4.9
130.07681	0.7
131.08559	13.1
133.06503	1.6
133.10101	6.3
135.08044	33.6
135.11673	6.5
137.09586	1.4
142.07787	0.9
143.08565	3.8
145.06482	1.6
145.10103	7.8
147.08049	3.2
147.11678	2.5
149.09570	3.7
149.13246	3.0
157.10117	5.2
159.04469	1.0
159.08083	2.5
159.11668	6.0
161.09651	5.9
161.13197	0.9
163.07539	1.3
163.11211	3.1
165.09151	0.7
171.11670	2.7
173.13263	3.2
175.11176	1.6
177.12776	2.1
181.10143	1.1
183.11678	1.4
185.09575	1.1
185.13261	1.9
187.11163	1.2
187.14867	0.9
189.12749	0.8
195.11656	1.1
195.13622	1.1
199.14891	2.2
201.12767	1.8
205.01199	0.7
205.12292	0.7
207.02919	1.0
213.05452	2.2
217.15845	15.0
219.13701	1.3
227.17931	1.7
229.15802	0.8
231.06552	1.7
233.15375	2.3
237.16400	1.1
245.18961	2.4
249.07420	1.3
255.17543	2.0
265.68970	0.7
271.07581	1.0
273.18478	22.7
284.50992	0.7
291.19519	38.6
292.20032	1.8
307.19006	1.2
329.08105	1.0
337.10648	5.3
347.09210	2.0
347.22314	1.9
350.08054	1.0
365.10162	18.2
365.17117	0.8
365.18713	1.3
365.23175	14.5
365.26917	0.6
365.31815	1.8
366.10602	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01866	8.6
55.05505	24.7
57.03436	12.0
57.07082	1.4
59.04981	1.1
63.59465	0.8
65.03933	1.6
67.05500	38.3
69.03423	12.3
69.07065	33.9
69.07440	1.0
70.06514	2.6
70.06931	3.1
71.04974	2.8
74.12716	0.9
79.05490	29.6
79.05956	1.9
81.03390	5.5
81.06567	2.1
81.07048	32.2
83.04977	5.8
83.08609	10.9
84.93995	1.0
85.06524	2.9
86.78638	1.0
91.05474	22.1
93.07035	24.4
95.01363	1.3
95.04984	8.5
95.08604	17.4
97.02892	13.6
97.06512	3.7
97.10157	14.4
97.45881	0.9
105.03392	1.1
105.07022	17.1
107.04945	8.9
107.08589	21.6
109.06544	6.3
109.09451	1.3
109.10146	16.8
111.08044	2.6
113.06004	1.1
117.07015	9.3
119.04953	2.0
119.08566	13.4
121.06493	4.1
121.10133	9.2
123.04408	3.0
123.08078	5.6
123.11661	2.3
125.09637	12.0
128.06198	0.9
128.33052	1.0
129.06976	4.3
131.08548	11.5
133.06467	4.3
133.10124	15.5
135.08031	6.7
135.11685	4.8
137.09570	4.6
139.07576	1.7
143.08578	5.6
145.06538	1.0
145.10100	7.7
147.06978	1.3
147.08005	7.5
147.11711	2.7
149.09610	5.0
149.13243	2.2
151.11154	7.2
153.09177	1.3
155.08479	1.1
156.83876	1.0
157.10092	3.2
159.08067	2.0
159.11665	4.5
161.09622	4.9
161.13197	1.3
163.11208	2.7
165.09093	3.4
169.10120	1.1
169.12254	2.9
171.11668	3.0
173.11777	1.7
173.13237	1.6
175.11183	3.8
177.09119	2.8
177.12718	2.1
179.10645	1.5
187.11124	1.7
189.11203	6.7
189.12729	1.7
195.11722	1.6
195.13702	2.3
199.11160	1.2
205.12224	2.4
207.13747	1.1
221.15317	1.1
223.13269	28.5
225.12617	1.3
227.12740	5.5
227.17914	2.1
237.16374	1.4
245.18983	4.5
253.14296	5.5
255.17357	1.7
263.20047	3.1
269.13992	1.2
273.15448	1.1
273.18463	23.6
291.19528	100.0
292.19876	3.0
309.03986	2.0
310.04303	1.1
311.05551	4.7
321.07468	1.1
337.10568	2.3
347.08994	2.2
347.22189	1.8
350.07996	2.9
365.05768	1.7
365.10187	32.2
365.23181	84.1
365.26755	3.3
366.10764	4.9
366.23517	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.1
55.01863	5.9
55.05508	26.3
57.03436	10.5
57.03706	1.4
57.07058	1.2
65.03925	1.3
67.05501	30.1
69.03430	11.3
69.07063	40.7
70.03019	0.7
70.03308	3.8
70.26698	0.7
71.04958	1.4
79.05485	26.0
81.03418	6.6
81.07051	22.6
83.04975	5.2
83.08211	0.9
83.08610	9.3
85.02877	0.9
85.06529	1.2
91.05475	14.2
93.03368	0.7
93.06468	1.1
93.07032	17.8
95.04434	0.9
95.04966	10.5
95.08595	12.1
97.02287	0.8
97.02888	16.6
97.06522	4.0
97.10164	17.9
98.20811	0.9
103.05449	0.8
105.03394	0.7
105.07023	10.9
107.04949	6.2
107.08586	14.3
109.02836	1.0
109.06496	3.1
109.09460	0.8
109.10142	10.6
111.04401	1.3
111.08012	2.3
113.09618	0.8
115.05422	1.4
117.06995	7.2
119.04893	1.0
119.08573	11.7
121.06473	3.0
121.10130	6.5
123.04448	3.1
123.08048	4.2
123.11652	1.9
125.09622	14.5
129.06969	3.0
131.08551	8.1
133.06465	1.9
133.10126	5.0
135.08038	6.1
135.11665	3.7
137.05919	2.2
137.09589	4.4
143.08543	2.6
145.06447	1.1
145.10123	5.4
147.08011	4.3
147.11653	2.6
149.09573	2.1
149.13211	1.8
153.09038	1.0
153.12685	0.8
155.10416	0.7
157.10075	2.5
159.04344	1.1
159.08063	1.0
159.11667	3.5
161.09584	2.6
163.11186	1.9
165.09071	1.8
169.10092	1.1
171.10185	0.8
171.11606	1.7
173.11690	1.0
175.11157	1.9
177.12737	1.4
179.10623	0.6
185.13310	0.7
189.11201	9.1
189.12733	1.2
191.10547	0.7
193.12189	1.2
195.13785	1.8
205.12209	3.0
208.03101	0.7
213.05478	1.4
223.13269	36.4
227.12755	1.3
227.17879	1.3
231.06630	0.9
237.16248	0.8
245.18987	2.1
249.07727	1.1
249.14796	1.1
253.87752	0.7
255.17390	1.4
263.20087	1.8
273.18469	15.1
291.19519	100.0
292.19824	1.6
295.05878	1.8
305.08066	0.8
307.05884	0.9
308.06332	2.4
309.06717	7.7
311.05472	2.1
323.05634	1.1
323.09225	0.7
323.24673	0.7
331.05945	0.9
337.10754	1.8
347.09311	4.1
347.22131	1.7
350.07898	1.0
365.10184	29.6
365.23184	57.4
366.10623	2.8
366.23434	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	365.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
55.05501	0.6
55.55118	0.3
56.19750	0.3
56.96563	0.5
57.03422	1.1
66.38625	0.4
66.57104	0.4
67.05508	2.5
69.03421	0.6
69.07059	1.0
70.04068	0.9
70.07403	0.8
70.07813	1.7
71.20482	0.4
79.05489	2.1
81.07059	2.9
83.04979	0.9
83.08598	0.6
85.02897	0.5
85.06491	0.4
85.77309	0.4
91.05477	2.3
93.07037	2.1
95.04966	1.5
95.08590	1.6
97.02906	1.0
97.06544	0.6
103.05480	0.5
105.07005	1.8
107.04932	1.1
107.08580	1.6
109.06522	1.3
109.10119	1.1
111.04439	0.7
111.08091	0.5
113.05986	0.7
117.07042	1.3
119.08587	1.4
121.06487	0.8
121.10133	0.8
123.04478	0.7
123.08018	0.5
129.07022	0.8
130.65501	0.4
131.08572	0.9
133.06496	0.7
133.10107	1.9
135.08055	1.9
135.11667	0.4
137.02319	1.3
145.06456	0.6
145.10118	0.8
147.04408	0.6
147.07996	0.5
149.09651	0.6
151.11247	0.5
153.09142	0.4
156.44537	0.4
157.06476	0.6
157.10132	0.5
159.04378	0.9
161.09572	0.5
163.11176	0.7
181.10074	0.4
185.04315	0.4
185.06042	1.1
187.07466	0.4
189.05496	0.5
195.02798	0.7
197.16927	0.4
203.07066	0.5
207.03036	0.5
209.06581	0.4
209.59430	0.4
213.05490	3.2
231.06497	1.8
249.07579	1.1
249.14581	0.6
267.14609	0.6
273.18512	1.7
277.00201	0.4
277.08551	0.4
285.15445	0.5
291.09695	0.4
291.19476	1.8
295.06046	1.1
309.07327	0.9
311.05499	0.6
319.09375	0.6
323.09256	0.5
337.10678	0.8
347.05267	0.6
347.09195	5.0
347.22040	0.9
349.07190	0.6
350.07825	1.3
365.10196	25.9
365.22977	100.0
366.10565	3.5
366.14594	0.5
366.23242	4.3
383.23022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41534	0.5
58.57386	0.5
71.00806	1.4
85.02888	0.7
98.97591	0.9
116.98590	1.1
119.01892	1.1
145.03476	0.6
157.03438	0.6
161.02988	0.9
173.02946	0.7
185.02931	1.0
185.04227	16.1
192.99863	0.5
202.04121	0.6
203.05257	40.2
245.05161	2.5
263.06125	0.7
365.10544	100.0
366.10901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84219	0.2
56.12782	0.2
58.32811	0.2
61.91093	0.2
62.09233	0.2
68.54540	0.2
69.99854	1.5
70.00181	0.4
100.33006	0.2
119.01894	0.6
128.81969	0.2
161.02914	0.5
173.02827	0.3
185.04208	20.1
197.46016	0.2
203.05257	46.1
204.05652	0.4
224.99323	0.2
244.07915	0.3
245.05078	0.7
365.10529	100.0
366.10843	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	365.1018
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
52.21982	0.2
53.03936	0.4
55.01863	0.7
55.05497	1.2
57.03431	1.8
57.07080	0.4
67.05191	0.3
67.05501	1.9
69.03426	0.5
69.07069	1.4
69.41086	0.6
69.41511	1.5
71.04992	0.6
72.08131	0.2
79.05482	2.3
81.03395	0.5
81.07050	3.2
83.04967	0.7
83.08611	0.7
85.02892	0.2
85.06524	0.9
88.98586	0.2
91.05473	2.6
92.30291	0.2
93.07040	2.8
95.04968	1.2
95.08595	2.0
97.02881	0.6
97.06541	1.1
97.10133	0.3
99.04447	0.3
99.08080	0.2
101.71927	0.2
105.03374	0.4
105.07018	2.7
106.86439	0.2
107.04945	1.1
107.08592	2.2
109.06532	1.5
109.10155	0.9
111.04413	0.2
111.08076	0.3
113.06006	0.5
115.05447	0.4
117.06992	1.5
119.04911	0.9
119.08573	2.2
121.02866	1.4
121.06512	0.8
121.10160	1.1
123.04404	0.2
123.08051	0.8
123.11654	0.4
125.05965	0.2
128.02231	0.2
128.06192	0.4
129.06998	0.9
131.04901	0.5
131.08514	1.1
133.06456	0.7
133.10118	1.3
135.08081	1.3
135.11703	0.5
137.09592	0.3
141.06975	0.4
142.07750	0.2
143.08546	0.5
145.06485	0.7
145.10114	1.3
147.04417	0.7
147.08087	0.3
147.11670	0.8
149.09601	0.8
151.07506	0.3
151.11127	0.2
157.06441	0.5
157.10088	1.0
159.04369	0.2
159.08058	0.3
159.11678	0.7
160.05135	0.3
161.05998	0.5
161.09613	0.8
161.13261	0.4
163.07550	0.3
163.11180	0.6
165.09106	0.2
169.06622	0.3
171.04480	0.3
171.11691	0.6
172.05186	0.2
173.05940	1.4
173.13277	0.5
175.11148	0.4
177.12787	0.3
181.12091	0.2
183.11700	0.3
184.05188	0.3
185.05977	0.4
185.09560	0.3
185.13231	0.5
187.03860	0.3
187.14857	0.3
188.04828	0.2
189.05484	0.5
189.12759	0.3
191.14229	0.3
197.06039	0.4
199.07587	0.3
201.12701	0.3
202.07774	0.4
203.14218	0.2
206.05708	0.3
213.05443	0.7
215.93996	0.3
216.04141	0.5
217.15918	0.8
219.08029	0.3
227.17928	0.4
229.04987	3.1
231.08109	0.4
233.15308	0.3
235.07491	0.3
245.09642	0.4
245.19102	0.3
247.05804	1.3
249.09103	0.4
255.17404	0.5
261.09067	0.4
263.07037	0.6
265.08624	0.2
273.09006	0.3
273.18481	2.7
275.06915	0.3
277.08539	1.5
278.09299	0.5
288.07672	0.2
289.08417	0.4
291.06485	3.1
291.10007	0.5
291.19507	1.6
293.08203	0.4
295.06024	0.4
305.08121	2.7
306.08847	1.8
307.19824	0.2
317.08099	0.5
319.05969	3.4
319.09708	0.8
320.06552	0.5
322.08337	0.9
323.09149	0.3
333.07523	3.7
334.08337	12.6
335.08759	0.6
337.10706	1.2
347.09116	21.4
347.22165	0.9
348.09555	1.1
350.07898	0.6
365.10168	100.0
365.22855	3.8
366.10538	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	365.1018
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
50.34676	0.5
52.65951	0.4
57.07069	0.6
66.95113	0.5
67.05486	1.3
69.02066	0.4
69.03426	0.5
69.07056	1.1
69.65532	1.9
69.65953	1.7
79.05475	1.6
81.07050	1.3
88.99559	0.5
91.05467	1.7
93.07050	0.9
95.04965	0.9
95.08593	1.5
95.64549	0.5
105.07024	15.3
106.07357	5.8
107.08607	1.2
109.10129	1.0
119.04946	0.8
119.08517	1.2
121.06548	0.8
124.71685	0.5
124.72592	0.4
131.08553	0.5
132.05693	0.6
133.10118	0.9
134.03647	0.5
138.32010	0.5
143.08539	0.6
145.10109	0.8
147.08063	0.7
149.06009	0.6
149.09602	0.8
149.13187	0.5
150.10002	0.5
157.10110	0.7
159.11737	1.4
160.05206	5.1
165.09091	1.8
166.09454	1.0
175.03853	1.5
176.47200	0.5
178.07805	0.7
183.11687	0.5
185.05867	0.6
185.13248	0.6
188.04767	3.1
189.05365	0.8
201.77090	0.5
203.05342	0.5
206.07314	0.6
207.11760	0.5
209.13303	0.6
213.05533	1.0
216.04160	17.7
217.04927	2.8
221.09473	0.8
234.05176	15.9
249.09003	1.0
251.07039	0.7
262.06277	0.7
266.09409	1.8
274.17010	0.5
276.07840	1.4
277.08557	4.2
279.06635	0.5
293.08032	4.0
294.08734	3.2
305.08072	11.5
309.11072	1.0
321.07520	1.0
322.08356	2.6
332.06812	2.4
333.07538	11.7
334.08051	0.5
337.10791	0.9
347.09119	1.2
347.25995	0.5
350.07791	13.6
365.10181	100.0
366.10657	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	365.1015
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
53.03939	0.8
55.01852	1.8
55.05505	2.5
57.03427	1.9
57.07062	1.7
58.06571	0.5
58.07407	0.8
67.05507	7.6
69.03423	1.3
69.07056	3.0
70.06592	4.9
71.02397	1.4
71.06916	2.0
71.08609	0.5
72.08141	1.1
79.05116	0.5
79.05492	4.8
81.03408	1.2
81.07052	7.4
83.04973	1.5
83.08603	1.2
83.75100	0.6
84.75412	0.5
85.06566	0.7
88.07612	1.6
89.07964	0.7
91.05479	7.0
92.99768	0.8
93.07040	4.2
95.04949	2.3
95.08608	3.5
96.81638	0.6
97.06546	0.9
103.05464	0.9
105.03413	0.7
105.07027	5.8
105.84838	0.5
107.04952	2.2
107.08586	4.8
109.06513	1.9
109.10147	4.5
111.08055	1.0
115.05469	0.7
117.07014	1.9
119.04921	1.0
119.08568	2.1
120.22196	0.5
121.10124	2.1
123.04427	1.5
123.08052	1.2
123.11674	1.3
128.06210	1.9
129.07014	4.0
131.08530	2.4
132.10202	1.5
133.02849	0.7
133.06473	2.3
133.10088	6.3
134.10654	0.5
135.04436	0.6
135.08054	1.9
135.11649	0.8
137.05945	1.0
141.42886	0.5
143.08606	0.7
145.06468	1.2
145.10117	1.8
146.11754	1.2
147.08040	0.8
147.11876	1.3
148.12219	0.8
149.05923	0.9
149.09604	1.7
151.03871	1.2
151.11165	4.2
155.04846	0.9
157.06482	4.1
157.07625	0.8
159.08009	0.9
159.11710	1.1
160.05208	1.3
161.05933	1.1
161.09630	1.3
161.13242	1.0
163.03941	0.8
163.11163	0.9
165.05515	0.7
169.10149	0.8
171.04395	0.6
171.11742	0.6
173.05942	2.2
175.11165	0.8
178.07750	0.7
185.05957	6.6
187.07465	0.8
188.04727	1.0
189.05496	3.0
190.06145	0.7
191.03400	2.6
192.70549	0.5
201.05502	1.3
203.05298	0.6
203.08466	1.3
206.05722	2.9
206.07391	1.0
207.08035	1.0
213.05440	4.3
216.04120	2.7
217.19452	0.5
219.08072	0.9
220.08774	1.0
221.09604	2.7
223.07564	1.1
231.08043	0.9
234.05139	1.8
235.07547	1.2
237.09143	1.2
238.09923	1.0
245.19009	0.7
247.07457	1.6
248.08286	2.5
249.09044	3.3
251.06920	2.6
253.14320	4.7
256.26407	0.6
257.26694	1.8
258.27039	2.5
259.07397	0.6
261.05563	0.6
262.06308	0.8
263.19882	0.8
265.08527	4.4
266.09323	2.6
267.06564	0.6
273.18442	3.2
276.07831	1.8
277.08698	3.8
279.06531	2.4
281.11719	3.5
282.05359	0.8
291.19601	2.3
293.08081	4.3
294.08844	2.0
295.05963	0.9
300.28912	1.5
301.29321	2.0
302.29620	8.3
303.05429	0.8
303.29922	1.4
304.07346	1.1
305.08041	5.2
306.08484	0.8
307.06039	2.2
308.06628	0.9
309.11215	3.7
319.09659	1.8
321.07629	4.2
322.08328	16.4
323.08893	1.1
332.06775	0.9
333.07452	2.1
337.10690	28.5
338.11020	0.9
347.09122	3.0
347.22220	1.2
350.07840	9.8
364.33243	28.6
365.10181	100.0
365.23004	7.1
365.33487	6.4
366.10538	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	365.1016
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
53.03939	0.4
55.01860	0.7
55.05494	1.2
56.96560	0.7
57.03415	1.4
61.02916	0.4
65.03931	0.6
67.05502	3.1
69.07052	0.9
69.32761	2.6
69.33176	0.9
79.05482	3.4
81.03403	0.9
81.07053	4.3
83.04962	0.6
83.08578	0.5
85.02895	0.6
89.03905	0.9
91.05476	2.5
93.07047	2.4
95.04952	1.2
95.08600	2.3
97.02863	0.4
97.06510	0.7
97.10161	0.7
98.97578	0.5
103.05473	0.3
104.12762	0.3
105.03391	0.5
105.07023	2.4
107.01283	0.4
107.04932	1.6
107.08597	1.8
109.02872	0.9
109.06488	1.1
109.10130	1.5
111.04417	0.3
115.05441	0.6
116.98647	0.5
117.03397	0.7
117.06996	2.9
119.04877	0.5
119.08576	1.8
121.02846	0.7
121.06508	0.8
121.10144	1.4
123.04404	1.0
123.08043	0.7
123.11642	0.4
125.05894	0.4
125.09624	0.4
128.06236	0.5
129.07007	2.4
131.04854	0.4
131.08575	1.0
133.06454	0.5
133.10120	2.0
134.03609	0.4
135.04414	0.8
135.08018	1.3
135.11650	0.8
137.02312	2.0
137.09550	0.4
141.06958	0.6
143.08560	0.8
145.10088	1.2
147.07997	0.4
147.11673	0.8
149.01187	0.8
149.09572	0.5
149.13257	0.5
153.06987	1.0
156.30788	0.3
157.06450	1.1
157.10188	0.4
159.04276	0.5
159.08069	0.6
159.11693	1.1
161.02364	0.7
161.09628	0.6
161.13266	0.8
163.14737	0.4
167.02344	0.3
169.06404	0.7
171.04437	0.4
171.11661	0.6
173.05998	0.4
173.13219	0.4
175.11134	0.4
175.14876	0.4
177.01875	0.7
179.03397	0.4
181.06464	0.7
185.05986	1.5
187.14853	0.4
189.01810	0.9
189.05423	2.9
189.16380	0.5
190.07774	0.4
193.10155	0.5
195.02937	2.0
199.07690	0.4
202.07730	3.2
203.07016	1.1
207.02884	0.9
209.05838	0.4
212.10736	0.4
213.05481	2.8
213.16371	0.3
217.10141	3.4
219.08057	0.9
220.08617	0.3
227.17928	0.5
229.04958	0.5
230.07245	0.6
231.06319	2.0
237.09065	0.4
245.09575	5.5
247.07516	0.6
248.08315	1.0
255.08119	0.4
258.06827	0.4
263.10455	0.7
263.12842	0.5
265.08630	0.5
267.06500	0.4
273.08990	1.6
273.18423	1.5
275.07068	1.2
276.07770	1.5
277.08487	0.5
284.12692	3.8
284.62799	0.5
291.10092	2.6
291.19516	1.3
293.08173	0.4
295.06009	1.6
301.08575	1.6
304.07147	0.4
305.08081	0.6
307.06024	0.9
308.06775	1.0
309.06885	0.9
311.05469	11.9
319.09598	9.1
319.15167	0.4
321.07608	0.8
322.08270	0.9
323.05399	2.3
323.09155	2.2
325.06870	0.5
329.08026	0.6
333.07709	0.4
335.05334	0.4
336.06262	0.5
337.06976	0.5
337.10608	0.7
347.09119	35.9
347.22125	0.8
348.09457	0.9
349.07126	3.6
350.07687	2.7
365.10175	100.0
365.22894	17.0
365.31830	2.3
365.65387	0.6
366.10538	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57355	1.4
52.22064	1.2
53.03929	2.2
55.01883	1.4
55.05509	17.8
57.07072	2.3
60.08146	2.3
62.27960	1.5
65.03943	1.2
67.05499	45.5
69.07063	18.6
71.04971	1.6
71.62226	1.8
73.02901	1.5
79.05494	24.5
81.07051	34.0
83.04958	1.8
83.08614	7.2
86.09676	1.8
91.03950	1.3
91.05486	12.9
91.52319	1.2
93.07044	30.7
95.04942	3.7
95.08044	2.0
95.08598	26.3
97.06525	1.4
97.10167	3.0
99.04452	2.9
105.07034	6.0
107.08588	17.1
109.06493	2.7
109.10150	9.9
117.06979	2.1
119.08576	3.9
121.10124	12.6
123.04418	4.3
123.11704	3.0
131.08521	1.7
133.10101	3.4
135.11674	4.9
145.10107	2.8
147.11676	2.2
149.13237	3.1
159.71359	1.4
163.14815	2.1
211.14824	1.3
231.21011	1.3
243.78578	1.1
262.18845	3.7
295.06070	2.9
305.24713	53.4
306.24985	2.2
325.14566	1.5
347.25818	3.7
364.09296	3.8
364.32068	100.0
365.10236	8.8
365.27615	2.1
365.32397	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	365.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01860	0.7
55.05494	1.2
56.96560	0.7
57.03415	1.4
61.02916	0.4
65.03931	0.6
67.05502	3.1
69.07052	0.9
69.32761	2.6
69.33176	0.9
79.05482	3.4
81.03403	0.9
81.07053	4.3
83.04962	0.6
83.08578	0.5
85.02895	0.6
89.03905	0.9
91.05476	2.5
93.07047	2.4
95.04952	1.2
95.08600	2.3
97.02863	0.4
97.06510	0.7
97.10161	0.7
98.97578	0.5
103.05473	0.3
104.12762	0.3
105.03391	0.5
105.07023	2.4
107.01283	0.4
107.04932	1.6
107.08597	1.8
109.02872	0.9
109.06488	1.1
109.10130	1.5
111.04417	0.3
115.05441	0.6
116.98647	0.5
117.03397	0.7
117.06996	2.9
119.04877	0.5
119.08576	1.8
121.02846	0.7
121.06508	0.8
121.10144	1.4
123.04404	1.0
123.08043	0.7
123.11642	0.4
125.05894	0.4
125.09624	0.4
128.06236	0.5
129.07007	2.4
131.04854	0.4
131.08575	1.0
133.06454	0.5
133.10120	2.0
134.03609	0.4
135.04414	0.8
135.08018	1.3
135.11650	0.8
137.02312	2.0
137.09550	0.4
141.06958	0.6
143.08560	0.8
145.10088	1.2
147.07997	0.4
147.11673	0.8
149.01187	0.8
149.09572	0.5
149.13257	0.5
153.06987	1.0
156.30788	0.3
157.06450	1.1
157.10188	0.4
159.04276	0.5
159.08069	0.6
159.11693	1.1
161.02364	0.7
161.09628	0.6
161.13266	0.8
163.14737	0.4
167.02344	0.3
169.06404	0.7
171.04437	0.4
171.11661	0.6
173.05998	0.4
173.13219	0.4
175.11134	0.4
175.14876	0.4
177.01875	0.7
179.03397	0.4
181.06464	0.7
185.05986	1.5
187.14853	0.4
189.01810	0.9
189.05423	2.9
189.16380	0.5
190.07774	0.4
193.10155	0.5
195.02937	2.0
199.07690	0.4
202.07730	3.2
203.07016	1.1
207.02884	0.9
209.05838	0.4
212.10736	0.4
213.05481	2.8
213.16371	0.3
217.10141	3.4
219.08057	0.9
220.08617	0.3
227.17928	0.5
229.04958	0.5
230.07245	0.6
231.06319	2.0
237.09065	0.4
245.09575	5.5
247.07516	0.6
248.08315	1.0
255.08119	0.4
258.06827	0.4
263.10455	0.7
263.12842	0.5
265.08630	0.5
267.06500	0.4
273.08990	1.6
273.18423	1.5
275.07068	1.2
276.07770	1.5
277.08487	0.5
284.12692	3.8
284.62799	0.5
291.10092	2.6
291.19516	1.3
293.08173	0.4
295.06009	1.6
301.08575	1.6
304.07147	0.4
305.08081	0.6
307.06024	0.9
308.06775	1.0
309.06885	0.9
311.05469	11.9
319.09598	9.1
319.15167	0.4
321.07608	0.8
322.08270	0.9
323.05399	2.3
323.09155	2.2
325.06870	0.5
329.08026	0.6
333.07709	0.4
335.05334	0.4
336.06262	0.5
337.06976	0.5
337.10608	0.7
347.09119	35.9
347.22125	0.8
348.09457	0.9
349.07126	3.6
350.07687	2.7
365.10175	100.0
365.22894	17.0
365.31830	2.3
365.65387	0.6
366.10538	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.4
55.05510	0.5
56.02457	0.3
56.96551	0.5
57.03426	1.1
59.04979	1.1
63.00430	0.3
63.98209	0.4
65.43695	0.4
69.03423	3.3
70.06577	6.2
71.04987	0.7
71.54942	0.6
72.08132	1.3
81.03392	1.6
83.01340	0.4
83.04958	0.9
84.08137	7.3
85.02898	11.4
87.04458	0.8
91.10389	0.3
96.08115	3.4
97.02909	2.1
98.09682	100.0
98.97563	1.1
99.04456	0.9
99.10021	1.4
101.06022	0.7
109.02865	1.0
111.04440	0.4
114.09164	1.4
116.98619	0.4
127.03906	1.4
128.10683	0.6
130.06529	2.4
130.08601	2.0
142.08607	5.4
143.52203	0.4
144.10181	37.9
145.04990	1.0
145.10513	1.1
147.04390	0.6
155.04742	0.4
157.07625	0.5
158.05981	0.7
167.07072	0.4
174.05519	0.4
185.04198	1.0
186.11206	0.7
192.81088	0.4
202.10690	0.4
203.05295	2.3
203.08073	0.4
209.55957	0.4
224.12741	0.5
228.12079	0.4
242.13815	0.9
243.07619	0.5
246.13351	0.5
251.52687	0.4
252.12209	3.0
270.13333	7.5
271.13571	0.4
274.12677	1.0
288.14386	9.9
323.06277	0.4
364.19611	76.9
365.10403	5.6
365.20181	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	364.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35854	1.0
53.03939	3.4
55.01859	9.9
55.05515	2.0
57.03436	2.1
57.07069	6.5
57.28212	1.0
59.04982	3.2
60.04520	1.5
61.02910	1.3
67.05496	6.3
69.03416	11.4
69.07053	6.4
70.02950	6.3
70.06583	4.9
71.04983	1.9
71.62292	1.9
72.04512	22.2
72.08157	13.8
73.02908	9.7
73.08476	1.9
74.02454	1.5
79.52737	1.2
81.03404	14.3
83.04966	5.2
84.04496	1.7
84.08139	3.4
85.02885	11.8
85.06545	8.8
86.09685	6.0
87.08107	2.2
87.74609	1.2
90.05550	42.9
91.05486	1.8
93.07026	1.3
95.04948	9.1
96.08113	5.2
97.02884	14.3
98.02400	12.7
98.06061	2.8
98.09681	2.7
99.04446	5.7
100.03986	5.6
103.07580	4.1
107.04939	2.1
109.02863	24.4
110.02398	2.5
110.07142	2.1
110.09690	1.6
111.04431	1.1
111.08033	1.3
112.07594	2.4
113.06003	4.5
115.03912	2.3
116.03442	21.7
116.98584	1.3
119.04921	4.4
124.07581	24.6
127.03903	14.8
130.08612	1.7
131.07024	2.3
132.06520	9.2
132.10194	1.6
138.05478	2.2
138.09122	1.3
139.03920	1.3
140.07014	2.1
142.08611	16.9
145.04970	6.6
147.04379	20.6
148.04724	1.6
152.07042	6.1
156.10214	2.2
160.09673	5.1
165.05249	1.3
166.08656	4.0
167.10588	2.0
169.04886	1.6
172.09697	3.5
174.11221	6.4
181.04996	3.3
184.09676	34.8
185.04221	1.8
187.06096	1.4
192.08694	1.3
198.07541	2.7
199.06012	6.0
200.10692	3.2
202.10727	100.0
203.05301	3.1
203.11411	3.0
211.09679	7.8
216.08714	4.4
217.07106	3.7
218.11815	2.9
220.11786	32.3
230.10184	11.7
233.39543	1.2
234.09720	11.4
243.14946	1.6
244.06055	2.3
244.11784	3.8
262.12869	14.6
263.17447	1.5
277.16550	1.9
310.12640	7.4
319.15802	3.8
328.13885	40.2
335.62173	1.3
346.14865	9.5
355.16873	2.6
364.15726	18.3
364.25528	6.1
365.10461	7.0
365.20749	8.4
368.66873	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	364.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01860	0.6
55.05492	0.7
56.96560	0.9
57.03415	1.0
60.04515	0.4
60.70324	0.4
61.02908	0.6
67.33311	0.3
69.03419	2.3
69.07032	0.4
69.60593	3.2
70.06566	1.1
71.04955	0.5
72.04507	0.5
72.08135	1.4
73.02894	1.0
78.04690	1.7
79.05457	0.8
80.63344	0.3
81.03393	1.5
81.07064	0.4
81.72225	0.3
84.04508	0.5
84.08115	1.7
85.02891	4.5
87.04407	0.4
90.05564	0.8
95.04947	0.7
96.08117	3.7
97.02861	2.3
97.06583	0.4
98.06026	0.5
98.21528	0.7
98.97565	0.7
106.04160	1.2
107.04983	0.4
109.02876	1.5
109.06503	0.4
110.02332	0.4
110.09689	0.5
112.07543	0.5
116.03447	0.4
116.07037	0.5
116.98589	0.4
121.10096	0.4
123.04411	4.6
124.05190	1.4
125.05898	0.6
127.03860	1.4
134.09688	0.5
139.03795	0.4
140.04654	1.0
140.06967	0.5
142.08582	0.6
145.04944	1.1
147.04340	0.5
151.03908	0.9
152.04659	1.4
152.07018	1.2
153.05467	0.4
155.07021	0.9
167.07021	100.0
168.07336	1.3
175.41133	0.4
180.08676	1.0
184.09694	0.7
185.04164	0.9
185.08067	1.0
194.84770	0.4
202.10735	1.3
203.05246	1.5
220.11778	0.9
237.03117	0.4
263.17538	0.5
274.06973	1.0
281.18301	0.5
283.07617	0.7
323.09933	0.4
328.13800	0.7
346.24872	1.6
364.19083	1.6
364.25922	7.1
365.10406	4.1
365.20700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03953	2.7
54.52833	2.0
55.05503	15.5
57.07064	6.8
58.89405	2.0
67.05501	26.7
67.45566	2.2
69.03429	6.2
69.07072	31.9
69.99065	13.4
70.06576	3.2
71.87450	2.1
72.08147	6.1
79.05476	18.4
81.03413	4.1
81.07055	100.0
83.08601	13.1
84.08150	2.4
85.02885	4.4
85.06544	25.3
91.05470	10.2
93.07040	31.2
95.04982	5.1
95.08604	80.2
97.02895	5.5
97.06519	7.1
97.10172	9.7
99.08087	23.8
105.07024	9.9
107.08583	33.1
109.10154	55.1
111.08063	7.6
111.11709	7.7
113.09635	7.3
119.04981	4.9
119.08564	11.7
121.10138	28.5
123.11707	35.0
125.09632	6.4
127.03966	2.3
131.08521	2.7
133.10141	7.9
135.04404	2.3
135.11700	19.5
137.13248	10.8
141.73132	2.8
145.10178	4.1
147.04427	7.9
147.11702	5.9
149.13251	33.2
151.11256	2.4
151.14809	5.8
153.12679	2.8
159.11659	3.4
161.13313	5.0
163.14841	23.5
164.04265	3.6
167.07054	15.1
167.14314	3.9
177.05331	2.2
177.16348	13.6
181.15880	2.7
184.09804	2.8
189.16438	4.8
191.17949	6.9
197.18964	4.5
200.97733	2.0
202.10826	4.2
203.18007	5.2
209.19031	3.4
217.19519	6.6
221.19023	2.9
235.20555	4.7
247.24281	2.3
261.10391	3.4
273.25787	19.6
276.46558	2.0
279.26825	3.1
282.82062	2.2
290.72211	2.1
291.26807	36.1
292.27197	3.6
302.17484	8.6
309.07516	2.9
309.27902	16.9
318.10913	2.6
327.28824	5.4
346.20328	3.4
363.08450	6.8
363.12433	8.6
363.22128	4.5
363.28204	7.8
364.20923	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	363.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.7
55.12163	0.6
57.07067	3.2
57.56199	0.6
67.05482	2.7
69.07043	2.6
71.08613	2.6
71.63417	0.9
72.74503	0.6
79.05466	2.0
81.07045	6.3
83.08588	1.0
84.92239	0.6
85.06538	1.1
91.05456	0.9
91.62971	0.6
93.07016	2.0
93.64869	0.7
95.08592	5.4
97.06470	0.7
99.08089	1.9
105.07011	2.1
107.08570	2.5
109.06507	12.9
109.10152	2.0
119.08566	2.0
121.10120	2.0
122.07276	0.7
123.07177	1.3
123.08054	17.7
129.09047	0.6
133.10088	1.3
135.08060	1.7
137.13162	0.7
147.11638	1.2
149.13162	1.4
165.12784	0.9
175.14723	0.6
179.14293	68.1
180.14627	2.0
193.15884	2.2
202.69414	0.8
273.19528	0.6
307.22525	0.7
331.26505	3.3
363.28873	100.0
364.29272	6.9
376.61951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2889
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.05502	1.7
57.07074	4.0
67.05511	3.9
69.07078	3.5
69.08347	0.7
71.04967	0.7
71.08265	1.3
71.08586	4.7
79.05475	2.5
81.07048	7.0
81.07879	0.6
85.06528	2.8
91.05458	1.8
93.07030	3.1
95.08583	6.4
97.06501	0.7
99.08097	1.6
105.07021	1.9
107.08569	3.2
109.06512	14.1
109.10141	2.7
111.08046	0.8
119.08591	3.0
121.10136	2.4
122.07280	1.3
123.08065	22.2
123.11662	1.1
131.08571	1.1
133.10124	1.4
135.08064	2.7
135.11678	1.1
137.09572	0.8
145.10106	0.8
147.11627	1.7
149.13191	1.0
159.11665	1.1
161.13261	0.8
168.02271	0.7
175.14749	0.9
177.12840	0.8
179.14297	85.7
180.14639	1.9
193.15851	3.0
275.51651	0.8
301.31967	0.8
307.22586	1.1
308.06235	0.7
308.40848	0.7
331.26303	3.0
345.27625	0.8
347.79169	0.7
363.28906	100.0
364.29428	4.1
374.68027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
57.03409	0.3
60.56027	0.2
65.22172	0.2
67.05495	0.6
69.03432	0.2
69.07051	0.5
69.78561	0.4
69.78967	1.6
79.05490	0.7
81.07066	1.3
83.08601	0.3
84.65725	0.2
85.02889	0.4
91.05469	1.7
93.07018	1.0
94.24371	0.2
95.04916	0.3
95.08601	0.8
95.40408	0.3
97.02859	0.5
105.07008	0.8
107.08573	0.9
109.02882	0.3
109.10146	0.5
110.63496	0.2
112.81768	0.2
115.05391	1.2
117.05729	0.3
117.07018	1.7
118.06538	28.0
119.06885	0.6
119.08580	0.7
121.06502	0.7
121.10153	0.4
123.07954	0.3
123.11732	0.3
130.06558	0.3
131.08606	0.4
132.08058	2.2
133.08861	1.5
133.10083	0.4
142.06490	2.0
143.07338	2.2
143.08438	0.4
144.04462	0.4
144.08080	11.4
144.09224	0.5
145.06462	0.5
145.08383	0.4
145.10107	0.6
146.06001	45.3
146.09650	1.9
147.04425	0.3
147.06351	1.2
147.10417	0.2
151.07607	0.4
159.11746	0.6
160.07578	0.6
160.11145	0.3
161.13333	0.4
167.07063	2.5
169.58118	0.3
170.05995	3.2
173.13283	0.3
176.14340	100.0
177.14685	3.4
188.07059	28.8
189.07358	1.0
216.13811	0.9
234.14940	1.7
306.73340	0.3
307.06018	1.0
318.11041	0.6
358.26541	0.3
363.08511	1.0
363.12244	1.5
363.20673	27.7
363.28162	0.9
364.09296	1.0
364.20950	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	363.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83121	1.0
53.50400	0.9
55.01868	2.1
55.05510	8.9
55.57677	1.0
57.03434	57.6
67.05501	1.5
69.03424	2.7
69.07055	1.1
70.06588	6.7
70.13199	4.1
71.05009	1.1
72.08152	100.0
73.02916	2.0
79.05489	1.3
81.03423	2.3
81.07053	1.6
82.63842	0.9
82.89174	1.0
83.04968	1.5
84.04466	1.0
84.08147	2.8
85.02899	3.4
86.09705	2.3
89.10786	45.5
90.05549	1.8
91.05458	3.0
95.04980	2.2
97.02892	2.9
97.06519	1.8
98.06050	22.2
98.09702	1.9
99.04442	1.2
99.09209	2.5
101.39628	0.9
105.07049	1.6
107.04942	1.9
109.02864	2.1
112.07599	1.7
113.06081	1.6
115.05462	3.8
115.08679	22.1
115.09425	1.7
117.07044	1.4
118.69782	0.9
119.04938	1.6
123.04474	1.4
124.07530	1.3
127.03918	3.8
129.07022	1.3
130.06525	3.8
131.04948	2.0
131.08568	1.0
132.04480	1.4
133.06476	2.5
134.09613	1.3
141.07007	1.9
143.04912	4.6
143.08615	1.1
145.06491	2.6
147.04417	8.1
147.08012	1.2
149.05905	1.2
153.06985	2.2
155.04922	2.1
155.08548	7.9
157.07663	1.4
159.08000	1.5
160.05194	5.9
161.05991	11.5
163.03915	2.1
165.07024	4.0
167.07042	3.8
167.08600	4.0
168.05713	2.8
171.04381	2.4
173.05949	13.5
173.07288	1.2
175.03922	3.5
175.07521	1.8
176.04646	1.8
177.05481	2.7
178.08580	1.1
183.04486	1.6
183.08046	15.3
185.05891	1.7
187.07579	2.3
189.05450	15.7
189.85776	1.1
195.08044	6.4
196.05240	1.2
197.05980	1.5
199.03851	2.4
199.07591	1.4
200.04663	4.8
201.05386	7.5
201.09096	12.8
202.10788	1.3
203.06987	2.1
211.07530	31.9
213.05528	2.2
213.09093	4.9
215.07059	4.4
217.04930	17.3
229.05096	1.3
229.08577	22.5
231.10150	3.5
233.08133	3.1
239.07062	3.2
243.07675	1.5
256.09659	4.2
257.08066	42.3
258.11224	1.3
260.10104	1.1
275.08954	6.9
288.13400	1.5
310.14355	6.5
327.17007	11.2
328.15649	7.4
345.14355	1.4
345.18170	22.9
346.16306	4.9
363.12326	9.4
363.19141	59.1
363.24158	3.6
363.28677	2.1
364.19849	1.4
375.52890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85069	0.2
51.57559	0.2
55.05447	0.2
56.96516	0.2
58.30495	0.2
59.04952	0.3
65.03899	0.3
67.05441	0.3
69.07011	0.2
71.61697	0.3
81.06960	0.2
83.04954	0.2
91.05399	0.6
93.03320	0.7
95.01265	0.2
95.08542	0.4
97.89548	0.2
105.03294	0.3
105.07002	0.2
107.04820	0.2
107.08508	0.3
118.04057	0.2
119.04931	1.1
119.08492	0.2
121.02846	1.5
121.10052	0.4
123.04324	0.2
133.02733	0.3
137.05974	1.5
152.06987	0.7
161.01128	0.2
161.02325	2.8
167.08452	0.4
177.06949	0.4
179.03348	0.4
189.01814	6.4
195.08141	1.0
205.06320	0.3
207.02875	8.4
208.03171	0.2
222.17830	0.2
223.07533	1.1
233.05823	0.5
250.06097	0.2
251.06886	0.7
253.23398	0.2
279.06494	0.8
289.05072	0.3
300.28958	0.3
301.29196	0.2
307.05969	100.0
308.06287	3.3
362.32632	0.8
363.08691	0.5
363.12268	7.3
363.25198	0.2
363.32971	0.3
364.12872	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	363.1222
Annotation	2,7-Dihydroxy-1-(4-hydroxybenzoyl)4-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
50.52089	0.1
51.02378	0.1
53.03928	0.1
55.01860	0.2
55.05486	0.1
57.03409	0.1
57.07072	0.9
58.06608	0.2
61.44649	0.1
63.79719	0.1
64.59091	0.1
65.03928	0.2
67.05492	0.3
69.07058	1.5
70.06586	2.3
71.06905	0.2
71.08611	0.3
71.63878	0.3
72.08146	0.2
79.05481	0.5
81.07059	0.3
81.69332	0.1
84.08144	0.3
86.09723	0.3
88.07623	0.9
91.05473	2.5
93.03391	0.4
93.07015	0.3
93.12807	0.1
95.04955	0.2
102.09163	0.5
103.05481	0.9
105.03388	0.3
105.07007	0.3
105.90434	0.2
107.04946	1.7
109.06459	0.2
109.10201	0.2
115.05447	0.2
117.07036	0.3
119.04939	2.6
119.08591	0.9
121.02850	0.9
121.06443	0.2
123.04418	0.2
128.06175	0.4
129.06996	0.7
131.04955	0.2
131.08551	0.3
132.05618	0.2
132.10234	0.9
133.02863	0.2
135.04411	0.9
141.07019	0.2
143.08546	0.2
145.02834	0.4
145.06483	0.5
145.10123	0.1
146.11742	1.0
147.04407	4.8
147.08026	1.6
147.09094	0.2
147.11957	0.2
148.34424	0.2
152.06207	0.2
155.08400	0.2
157.06509	0.4
159.08051	0.4
160.05263	0.2
161.02335	0.5
161.05956	0.2
161.09641	0.2
165.07117	0.1
167.08575	0.3
169.06467	0.5
171.04320	0.2
171.08113	0.2
173.02357	0.4
173.05991	0.5
174.07925	0.1
175.07527	1.4
177.01823	0.4
179.08565	0.1
181.06477	0.2
183.08112	0.2
184.05128	0.2
185.05956	0.3
186.06737	0.2
187.03893	0.2
187.07507	0.4
188.64209	0.1
189.01820	4.3
191.03468	0.3
195.08028	0.5
197.06041	0.2
199.07613	0.3
200.04663	0.5
201.01831	0.6
201.05499	0.5
205.06465	0.2
207.02882	4.2
211.07489	0.3
212.04666	0.4
212.23749	0.4
213.05464	0.4
215.03378	0.3
215.07048	0.3
219.02974	0.2
219.08043	0.2
221.06042	0.2
223.07559	0.5
225.05417	0.1
227.10588	0.2
229.04938	0.2
239.06888	0.6
243.06493	1.6
247.07513	0.2
251.07065	1.3
256.26312	1.7
257.26767	0.7
261.07581	0.5
262.06137	0.2
266.05667	0.3
267.06519	0.5
273.08990	0.2
279.06476	1.1
287.07095	0.3
289.04868	0.7
291.06430	0.4
295.06021	2.2
300.28940	3.8
301.08612	0.2
301.29315	1.9
305.07977	0.5
307.05969	1.8
307.13235	0.1
308.06500	0.2
312.76273	0.1
319.09586	0.2
331.09769	0.4
335.12790	1.2
344.31113	0.1
345.11136	0.7
347.09125	0.4
361.10602	0.2
362.32614	9.7
363.12234	100.0
363.32861	5.8
364.12573	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	362.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.0
55.05508	36.8
57.03434	20.6
57.07053	5.7
59.04993	3.8
59.69157	4.6
67.05499	53.9
69.03432	12.6
69.07064	64.3
70.06589	10.7
70.07377	6.3
70.88762	3.7
71.04971	10.6
71.62717	7.7
72.08144	17.1
73.06564	5.8
74.06059	3.7
79.05494	60.5
81.03408	13.8
81.07050	57.8
83.04968	25.5
83.08614	23.0
84.08152	25.2
85.02883	7.8
85.06512	12.8
85.58199	4.4
86.09700	8.3
91.05486	30.4
93.07037	51.6
94.07373	7.2
95.04969	24.0
95.08599	36.4
96.08105	7.9
97.02886	24.0
97.06527	63.9
97.10172	26.7
98.06844	11.3
98.09682	31.8
99.08083	7.8
105.07026	26.3
107.04958	11.6
107.08569	20.2
109.02895	5.3
109.06496	9.5
109.10146	25.3
111.08115	8.1
112.07591	12.7
113.06017	9.9
117.07017	12.5
119.04968	5.9
119.08595	14.1
120.42719	4.0
121.06541	6.6
121.10161	30.6
122.10470	4.6
123.04436	5.4
123.08047	16.6
123.11755	6.5
125.09607	29.7
127.03915	6.2
127.07544	4.5
129.07025	8.1
131.08548	17.3
133.10118	18.9
134.09618	4.9
135.04437	8.4
135.07977	10.5
135.11707	10.5
137.05905	4.5
137.09599	16.0
141.10445	4.4
143.08614	11.4
145.02835	6.9
145.10117	17.5
147.04413	17.6
147.11702	5.4
149.09589	5.9
149.13272	10.3
150.59996	3.8
151.07559	6.2
155.10617	5.3
159.11717	7.5
161.02312	7.4
161.09622	4.4
163.03896	39.9
163.11290	6.5
164.04240	25.9
167.07019	32.0
172.09668	6.5
173.02325	10.8
173.11749	8.6
173.13245	7.2
174.02621	6.6
175.03929	5.8
183.11572	4.1
185.88380	4.6
187.11160	6.8
189.11230	30.7
195.13779	6.1
213.14775	7.4
215.07027	18.1
216.07391	10.3
217.15775	4.6
219.23151	4.6
221.15396	7.4
223.13313	25.1
231.18709	5.2
233.15349	6.7
249.19420	4.9
251.16376	10.2
255.96834	4.7
259.09613	39.1
260.09973	64.9
273.18445	18.4
291.19501	36.3
309.20520	15.0
315.26688	7.8
318.10870	6.7
362.07657	22.9
362.11526	7.4
362.20804	37.2
362.24765	8.2
362.28076	100.0
363.08481	11.2
363.12173	6.8
363.18240	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	361.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05506	10.4
57.07061	3.2
67.05499	13.9
69.03436	1.3
69.07066	10.9
71.08625	1.6
71.64484	1.2
79.05509	1.7
81.07050	3.5
83.08603	6.3
91.05472	7.8
93.06462	2.5
93.07039	46.3
95.04961	3.0
95.08605	25.7
97.06516	2.0
97.10184	5.9
99.01296	1.1
107.08591	5.0
109.06451	1.3
111.08080	24.6
119.08597	1.2
121.06493	3.5
123.08057	1.1
125.09606	2.4
127.07523	2.3
139.07532	18.9
149.09756	1.2
151.11218	1.3
153.09082	15.1
157.08575	6.1
167.10643	6.9
170.62917	1.1
179.10571	1.3
181.12234	7.9
191.73933	1.3
193.12289	1.5
195.13797	5.7
203.07201	1.2
207.13812	3.7
209.15343	4.4
221.15309	2.0
223.16975	2.1
249.91539	1.2
251.20110	1.9
265.21603	3.6
277.21780	1.3
291.23206	1.5
304.16196	1.1
321.14880	1.3
361.30997	100.0
362.31387	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	361.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01869	3.5
55.05502	19.4
57.03433	4.3
57.07069	12.1
59.05001	2.1
59.06118	3.1
61.16157	1.3
63.62258	1.3
65.03948	2.0
65.58596	1.3
67.05163	2.7
67.05503	44.0
69.03428	8.7
69.07065	32.5
69.40838	8.4
69.41254	6.1
70.06576	4.8
70.07404	1.5
71.04982	11.2
71.08651	1.9
72.08153	13.6
73.02923	1.7
79.05487	25.8
81.03394	4.2
81.07053	100.0
83.04980	6.0
83.08609	10.4
84.08148	6.5
85.02902	10.6
85.06541	86.1
85.07072	2.7
85.98248	1.6
86.06858	1.7
86.09702	5.9
91.05471	16.2
93.07040	46.6
93.07623	2.7
94.06602	1.3
94.07357	1.9
95.04959	5.6
95.08604	71.2
96.08167	1.4
96.08916	1.8
97.02902	6.3
97.05914	1.5
97.06525	31.5
97.10167	5.6
98.09669	2.9
99.08086	26.1
101.05962	1.5
103.08689	3.5
105.07034	25.4
107.04941	4.1
107.08592	44.4
109.02857	5.7
109.06518	4.7
109.10151	50.3
110.10455	2.1
111.04457	2.6
111.08061	19.3
111.11725	6.3
113.09624	2.8
115.05426	1.6
115.07548	2.0
117.03465	1.6
117.06989	4.0
119.04960	3.2
119.08575	22.6
121.02871	3.5
121.06507	2.3
121.10137	37.5
122.06032	4.1
122.10474	1.8
123.04453	2.4
123.08040	1.7
123.11696	27.2
124.03963	2.1
124.07618	1.9
125.09625	7.8
127.03915	9.3
127.11182	2.9
129.09152	1.4
131.04930	2.8
131.08563	5.0
133.06517	2.0
133.10117	17.3
135.04419	2.8
135.11687	29.5
136.07555	1.8
137.05975	5.4
137.09560	1.6
137.13246	6.5
139.11188	15.0
140.07114	3.1
145.02870	1.9
145.06483	1.7
145.10126	8.6
147.04407	7.9
147.11678	18.0
148.04822	1.8
149.13261	21.2
151.07584	3.1
151.11241	2.8
151.14868	1.7
153.01828	3.9
153.12758	7.3
154.08611	2.7
157.12271	4.2
159.04475	2.4
159.11688	5.7
161.02347	3.6
161.05995	3.9
161.13217	12.7
163.03894	16.2
163.07570	2.3
163.14815	12.5
165.12787	4.4
167.07018	6.1
167.14360	3.4
169.12190	1.8
171.04306	1.8
171.13797	1.6
173.02324	7.8
173.13251	4.4
175.14844	11.6
177.05461	2.5
177.16393	6.6
179.06982	2.2
179.14288	4.5
181.04964	3.4
181.08609	1.6
181.10062	1.6
181.12286	1.6
181.15849	2.6
182.08165	5.3
185.05864	1.6
187.07562	1.7
187.14827	3.3
189.05505	3.2
189.09119	2.0
189.16418	8.4
191.17943	7.4
193.15948	4.2
195.08128	2.2
195.17343	2.2
197.06107	1.4
199.17035	1.9
201.16420	2.3
203.18010	4.0
207.06587	1.8
207.17331	2.1
209.19023	2.0
211.16917	4.6
213.09105	2.9
215.06976	17.2
215.17953	4.2
219.17398	2.2
221.19012	1.7
229.00209	1.5
229.17918	2.2
241.08545	2.2
245.22453	1.7
259.09665	24.3
259.24319	3.1
260.09937	2.5
263.23685	3.1
271.24176	6.4
273.07571	2.0
277.25275	10.1
283.00546	1.6
283.09766	1.7
289.07059	2.6
289.25253	27.6
295.26248	10.7
307.26303	35.4
308.11328	1.8
308.26620	2.4
313.27383	5.9
325.27350	18.9
326.12448	2.0
333.07446	2.4
343.08194	2.4
343.12054	2.4
343.19885	1.6
343.28214	7.8
344.13614	2.1
361.07224	5.4
361.13043	4.2
361.16812	2.7
361.17950	1.7
361.21140	30.4
361.24838	2.4
361.28918	1.5
362.21359	2.8
362.27856	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	361.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01868	3.6
55.05507	5.6
56.05025	1.0
57.03427	1.6
62.04886	0.7
63.52010	0.7
66.64886	0.7
67.05492	2.8
67.23876	0.7
69.03428	2.2
69.07064	19.8
70.06596	7.3
70.88913	2.3
71.01365	1.5
71.04983	1.7
72.04494	1.0
72.08153	25.7
72.61989	0.8
79.05486	9.3
81.03403	1.4
81.07063	3.4
82.06575	1.5
83.01347	0.9
83.04987	6.2
84.08144	19.6
85.02903	2.6
85.06528	2.2
86.09701	80.3
87.10023	1.8
89.03915	1.5
89.10790	2.4
91.05475	3.7
93.07034	2.4
95.04977	1.5
95.08595	2.6
96.08125	1.0
97.02902	2.1
97.06528	53.8
98.06061	1.9
98.09687	9.1
99.09354	0.8
99.10023	2.4
103.05443	1.4
103.12337	22.5
105.07050	2.3
107.04969	1.5
107.08585	2.9
109.02888	1.7
109.10144	1.7
110.09723	1.1
112.07597	6.3
112.11254	3.2
112.24371	1.0
114.09174	2.2
115.05464	1.9
115.12305	1.7
117.03370	2.0
117.07046	1.8
119.04938	2.8
119.08550	2.2
121.02863	3.6
121.06584	0.8
121.10120	1.3
122.05999	1.1
123.04419	3.4
127.03939	2.0
128.55061	0.8
129.06981	3.0
129.10242	16.0
129.13956	0.9
131.04953	2.5
131.08582	2.1
133.06509	1.0
135.04434	5.1
137.05978	6.8
138.06720	1.1
141.07002	5.2
143.04951	1.1
143.08551	1.8
145.02847	3.1
145.06523	1.3
145.10213	1.1
147.04420	4.9
149.05971	2.3
151.19548	0.9
152.06241	1.4
153.05457	3.3
155.11809	2.6
157.06546	2.1
157.10188	0.8
159.04414	1.1
159.08049	1.7
160.05214	2.7
161.02364	2.4
161.05968	18.6
161.07228	1.3
162.03116	1.4
163.03902	81.7
163.07539	1.9
164.04262	1.6
165.06973	1.4
167.07176	1.8
167.08580	5.8
169.06470	3.6
171.08037	1.2
173.05963	10.8
173.09518	0.7
174.06728	1.0
175.03908	7.9
175.07538	5.1
176.04628	1.6
177.05470	4.1
181.04979	1.1
181.06448	1.6
184.05267	1.2
185.05922	1.5
185.09660	2.6
187.03951	2.0
187.07549	6.6
189.01843	2.9
189.05479	8.7
189.07301	1.5
189.09093	23.7
190.09450	1.0
191.07063	0.9
195.07999	8.6
197.05992	3.5
197.09695	1.4
197.11665	1.6
198.06798	2.0
199.07483	1.4
200.04688	1.7
201.09148	4.1
202.06253	0.8
203.07079	2.4
203.10605	1.2
207.02884	4.2
211.07588	1.0
212.07129	1.4
213.05582	1.5
213.09300	8.7
215.03537	2.5
215.07018	45.0
215.10678	3.8
216.07359	1.9
216.10297	2.2
217.05049	1.2
217.08630	3.8
223.07536	2.0
226.06252	1.3
227.07094	2.4
231.09999	3.7
232.17104	1.0
233.04547	1.5
240.10214	1.8
241.08546	11.4
242.11688	9.2
243.02744	1.1
258.11301	1.5
259.09634	18.3
260.10263	1.7
260.12729	6.7
261.03983	1.4
270.14847	2.6
273.07474	0.9
304.07080	0.9
311.17572	2.5
312.15924	19.8
313.16135	1.0
316.69455	0.8
320.87878	0.8
326.17606	4.0
329.18555	19.7
330.19025	1.1
330.60608	0.9
333.07516	5.0
334.07993	1.1
343.08252	0.8
343.16342	1.6
343.20114	37.8
344.20361	2.7
361.06973	18.6
361.17590	5.7
361.21243	100.0
361.26300	6.5
362.07440	2.3
362.21460	7.4
362.28497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
55.05508	1.6
56.05055	0.4
57.03437	1.4
57.23139	0.5
60.04524	0.4
65.99577	0.4
67.05494	1.2
68.05033	0.4
69.03421	1.7
69.06709	0.4
69.07063	0.8
70.06583	6.1
71.05009	0.6
71.06918	0.4
71.54817	0.4
71.62416	0.7
72.08147	100.0
73.06542	0.5
73.08491	1.6
74.97675	0.4
79.05506	0.4
81.03429	0.7
81.07037	0.7
81.39242	0.4
83.04947	0.7
84.04510	0.4
84.08134	4.1
84.54160	0.4
85.02893	2.8
85.06539	0.6
86.06071	0.4
86.09702	3.6
89.03914	0.4
89.10783	59.2
90.11118	1.3
91.05460	2.6
93.07032	1.0
94.06564	0.8
95.05000	1.0
96.08118	0.6
97.02895	1.3
97.06480	0.6
97.07658	0.5
98.06026	3.0
98.09674	7.3
98.97581	0.8
99.10034	0.4
101.10754	0.5
103.05445	0.6
105.07014	1.1
105.97964	0.4
107.04944	1.5
107.08572	0.7
109.02856	1.1
109.06506	0.6
109.10144	0.6
110.02388	0.5
110.07151	0.5
111.04412	0.5
112.07584	0.5
114.09153	0.7
114.10314	0.5
115.05434	0.4
115.08671	1.7
116.07087	1.2
117.03373	0.6
119.04926	2.6
119.08586	0.6
120.08078	1.2
121.02843	1.2
121.10145	0.7
122.06009	0.4
123.04427	0.5
123.08093	0.5
124.07661	0.5
125.05976	0.5
127.03899	1.6
128.06133	0.5
129.06979	1.6
129.10124	0.4
131.04929	0.9
131.12964	0.5
131.22057	0.4
133.06493	0.9
135.04391	1.0
136.07533	0.7
137.05933	1.4
138.05460	0.5
138.09151	0.5
139.05412	0.6
139.11154	0.9
141.06961	1.2
142.07642	0.5
145.02795	1.3
147.04388	8.0
148.04698	0.8
151.03925	0.4
152.06102	2.5
153.06990	3.8
155.08548	1.0
157.06494	1.0
157.10081	1.2
159.04367	0.6
159.08032	0.7
160.05141	1.0
161.05978	0.7
163.03888	4.0
164.04253	0.9
164.07100	1.2
164.10648	0.4
165.05624	0.5
165.06987	0.7
166.08627	3.3
166.09846	0.6
167.04874	1.3
167.07060	1.7
167.08560	5.6
168.05647	0.6
169.06471	3.6
173.05998	2.9
175.03918	1.0
175.07497	0.8
177.05420	1.3
177.06857	0.4
179.07051	0.5
180.05643	4.7
181.04851	0.9
181.06433	9.2
181.07646	1.8
182.06775	0.4
182.11697	0.4
183.08066	1.7
184.05119	1.7
185.05968	2.8
185.09509	1.9
186.06625	0.6
187.03841	1.6
187.07530	1.9
189.05444	1.8
189.09067	0.5
195.04376	0.8
195.06248	0.9
195.08037	15.2
196.05092	0.7
196.08429	0.7
197.05962	13.1
197.09636	1.4
198.06721	6.8
198.11938	0.5
199.07440	3.2
199.08759	2.3
199.13249	1.2
200.04701	2.7
201.05478	3.1
201.07048	0.6
201.09073	2.6
205.06488	1.0
208.05162	0.4
208.09679	5.4
209.09904	0.5
210.06717	1.0
211.07440	2.5
212.04677	1.4
212.08026	0.9
213.05467	9.9
213.09047	8.0
213.16019	0.4
214.06087	0.7
214.12666	0.5
215.03413	0.8
215.06998	6.4
215.10568	0.9
217.08614	0.6
218.11665	1.1
223.07512	7.9
224.07845	0.5
225.05547	0.7
225.09084	4.8
226.06190	3.7
226.08313	0.5
226.10715	3.3
227.06882	0.9
229.08446	1.3
233.04305	0.7
241.08569	38.4
242.08891	2.5
243.10060	2.1
245.08018	2.0
246.05139	0.6
254.92476	0.5
255.06453	1.0
259.09540	3.8
265.15518	0.6
273.07626	2.6
312.15900	4.7
313.15848	0.5
329.18570	46.8
330.18915	3.9
333.07349	1.6
343.16211	1.1
343.19980	1.9
344.14661	1.2
344.18661	0.6
361.07037	6.1
361.13654	1.8
361.17355	6.6
361.21042	34.9
361.26141	1.3
362.07339	1.0
362.12662	0.9
362.17413	0.7
362.21280	2.5
362.28223	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	361.1641
Annotation	Eupahakonenin A
Peak:m/z	Relative Intensity
53.03924	2.3
55.01870	1.6
55.05497	5.1
57.03417	2.0
57.07050	2.5
67.05489	5.2
69.03423	13.6
69.07054	6.0
69.32317	14.4
70.06571	2.0
71.04993	2.0
72.08138	5.9
72.94561	1.2
79.05495	8.6
81.03396	3.6
81.07047	10.7
81.17093	1.3
83.04968	19.3
83.08602	2.4
84.08119	1.5
85.02905	2.7
85.06527	4.3
91.05473	9.1
93.07034	15.1
95.04961	4.8
95.08626	6.4
97.02882	100.0
97.06518	3.1
102.28522	1.2
105.07035	9.6
107.04925	2.3
107.08578	20.6
109.02858	5.8
109.06502	4.2
109.10137	5.7
111.04401	2.5
111.08053	2.6
112.44487	1.3
113.06015	2.1
115.03918	3.8
115.05485	1.8
117.06987	3.6
119.04949	1.3
119.08579	8.4
121.06496	15.9
121.10138	4.2
123.08053	3.2
123.11666	3.1
123.51805	1.2
125.05974	2.0
127.03880	3.8
127.07560	1.8
128.06201	1.5
131.08543	7.4
133.06412	2.0
133.10104	4.7
135.04428	1.3
135.08041	38.5
135.11705	3.5
137.05928	2.7
137.09633	1.8
141.07039	1.3
142.07713	1.9
143.08539	3.7
144.09381	1.4
145.06476	2.0
145.10143	4.0
147.04393	4.8
147.08003	2.2
147.11699	2.5
149.05959	2.6
149.09589	2.1
149.13188	2.0
151.07501	3.6
152.93298	1.3
153.05423	1.7
153.09097	2.3
157.06499	2.5
157.10162	1.6
159.08052	5.5
159.11697	8.1
161.09624	2.9
161.13261	3.2
163.04012	2.7
163.07550	17.7
163.11130	1.8
163.14809	2.5
165.07039	1.4
165.09109	2.0
167.07022	12.0
168.09390	1.5
171.08023	2.4
171.11653	4.6
172.08774	2.3
173.09555	2.6
173.13326	6.7
177.09076	2.4
183.11708	1.7
185.09572	2.9
186.10396	3.6
187.11171	12.6
189.09109	4.4
189.12791	1.6
191.07042	3.4
191.14421	1.5
195.11655	1.8
199.11159	3.6
200.11960	1.7
201.12726	16.8
203.14325	1.6
205.12236	16.6
209.13226	1.8
210.10355	3.5
211.11150	2.0
213.09227	2.3
213.12726	2.6
219.13776	11.3
221.13156	1.6
223.11220	3.5
227.10693	2.2
228.11537	1.9
229.12186	14.6
231.10144	2.2
241.08476	2.4
241.12247	10.9
247.13278	20.7
259.09698	3.5
279.13779	3.5
283.13232	5.8
289.12155	1.8
297.14877	8.0
307.05728	1.7
307.13306	10.4
315.15909	4.6
325.14310	23.2
325.27109	1.5
331.04532	2.9
343.08325	2.1
343.15436	17.5
343.22757	2.0
344.15994	1.4
361.10434	12.3
361.16690	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	361.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
56.05022	1.3
56.86748	0.9
57.03409	1.1
69.03405	4.0
69.35414	1.0
70.06574	4.6
70.23470	4.1
71.04971	1.0
72.08141	6.9
81.03403	1.9
84.08120	4.3
85.02899	8.8
86.09676	2.1
87.56649	0.9
88.32108	1.0
91.05470	1.9
97.02885	3.3
106.92079	1.0
109.02843	2.0
118.06504	1.0
123.00786	7.0
127.03891	5.0
135.04341	1.1
136.07567	1.1
141.01819	10.5
141.06943	1.1
145.04903	2.4
147.04395	2.8
153.06998	1.6
153.10217	1.6
155.08597	1.1
155.11777	1.5
165.06979	6.7
167.08551	1.4
169.06462	3.8
171.67433	1.1
178.07771	3.3
179.08525	20.2
181.06479	3.4
181.10188	2.3
183.08041	30.2
189.07001	2.3
190.07729	1.7
191.08548	2.9
193.06393	3.3
194.07259	3.0
195.08020	4.2
197.05969	2.3
198.11258	1.8
199.10606	5.0
204.28775	1.0
205.06636	1.3
206.07268	2.0
206.09586	1.3
207.08032	66.7
209.09683	5.4
210.09137	10.5
211.07513	16.4
217.06490	5.8
219.08032	2.3
221.05969	10.9
222.06703	1.3
223.07495	3.1
234.09187	3.1
235.07516	100.0
235.14285	2.9
236.07927	2.4
236.10660	4.2
237.09094	11.3
238.08725	5.1
239.07005	70.8
240.07199	1.3
252.10175	71.7
253.08478	2.5
262.08484	1.4
263.06985	9.1
267.06567	1.8
280.09662	12.0
281.08054	52.8
282.08298	1.3
282.11182	1.6
284.09195	7.1
285.07458	1.2
297.12302	49.0
298.10712	82.9
315.13391	20.8
326.10254	15.8
327.08594	1.8
343.12851	88.1
344.11124	6.8
361.13885	50.2
361.21204	2.2
361.26660	2.8
362.13803	1.3
364.76538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.0
55.05507	49.3
57.03427	9.2
59.04990	13.3
65.03926	4.5
65.48267	3.4
67.05162	5.7
67.05500	81.5
69.03423	21.2
69.06716	5.2
69.07064	74.2
71.04987	74.6
71.47658	3.3
71.62302	6.7
71.62679	3.5
71.68420	3.7
73.02911	3.5
73.06550	5.3
79.05038	6.1
79.05484	68.6
79.52980	3.0
81.03422	13.5
81.07050	51.2
83.04993	7.7
83.08605	28.1
85.02890	22.2
85.06554	6.1
91.05479	33.2
93.07047	60.2
95.04955	11.1
95.08598	33.4
97.02862	6.3
97.06525	39.6
97.10161	50.6
99.04443	3.6
99.08038	3.7
105.07034	29.5
107.04935	12.5
107.08594	62.2
109.02865	14.9
109.06487	9.3
109.10143	51.9
111.08060	7.2
112.40723	3.2
115.07553	5.2
117.06974	6.7
119.08575	18.8
121.06477	6.7
121.10130	73.5
123.04360	4.6
123.08036	4.7
123.11694	8.7
125.09629	39.1
127.03877	15.6
129.06987	5.0
131.08531	13.1
133.10147	16.6
135.08026	7.4
135.11627	5.1
137.09624	7.3
145.04913	12.5
145.10132	10.1
147.11658	10.3
149.09592	12.3
149.13190	3.6
153.12740	54.4
155.10643	10.0
159.11673	5.3
161.13237	6.2
163.11150	6.0
173.11743	100.0
173.13156	6.2
177.12695	3.8
179.14268	3.9
189.11211	38.3
223.13295	5.1
227.16454	7.6
257.19086	4.4
273.18643	4.7
275.20032	45.0
293.21063	8.4
307.05994	24.6
307.22345	4.0
333.11270	4.1
343.09515	10.9
361.10669	94.7
374.74991	3.5
383.71216	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	360.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68090	5.3
54.80071	5.5
55.01873	11.1
55.05504	34.6
57.03438	9.1
59.04999	6.2
67.05502	84.0
69.03409	13.1
69.07063	53.3
69.40580	11.0
69.40977	50.3
70.06585	7.8
71.04987	80.4
72.08146	12.4
73.06535	8.5
79.05488	81.6
80.30350	5.3
81.03416	9.6
81.07053	51.3
83.04984	7.8
83.08607	20.5
85.02898	21.6
85.06565	6.1
87.08095	6.6
91.05479	32.9
93.07030	82.7
95.05000	9.2
95.08594	32.2
97.02887	15.4
97.06509	16.2
97.10158	22.9
102.48169	5.5
105.07043	36.2
107.08578	53.6
109.06519	11.7
109.10139	58.6
111.08084	10.5
115.07553	13.7
116.12666	5.7
117.07038	7.6
119.04926	5.0
119.08549	27.8
120.08106	14.9
121.10130	80.7
123.08056	7.8
123.11713	14.5
125.09621	26.0
127.03902	16.7
129.06938	6.4
131.08563	13.8
133.10115	16.1
135.08047	13.5
135.11719	5.6
145.04893	12.0
147.11720	6.0
149.09631	9.9
153.12729	51.5
155.10703	12.4
159.08061	6.0
163.06090	6.8
166.08739	6.0
167.07045	8.1
173.11745	100.0
177.12717	5.9
189.11176	28.9
195.13765	12.2
227.16389	21.9
235.16830	10.0
275.20084	61.3
293.20868	9.5
305.30865	5.5
307.22595	8.2
313.96237	6.3
340.15668	6.1
360.09711	9.0
360.26343	12.8
361.10605	38.8
361.15695	6.6
365.63885	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	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82228	3.8
53.03926	6.7
53.69500	3.1
55.01865	4.7
55.05502	30.8
56.96547	6.0
57.03427	8.0
57.07061	3.9
59.04981	4.9
67.05498	100.0
69.03419	7.7
69.07059	39.1
69.64741	28.8
70.06580	5.0
71.04978	6.2
79.05115	4.1
79.05491	42.5
81.07050	68.8
83.04969	6.5
83.08621	25.7
85.02885	14.5
86.41479	3.5
91.05479	27.4
93.07032	40.0
95.04985	8.0
95.08594	41.8
97.02866	6.1
97.06491	18.6
97.10148	33.3
99.04487	3.9
105.06995	27.9
107.04961	7.6
107.08591	64.3
109.02814	4.2
109.06499	6.8
109.10147	86.1
111.08043	7.6
117.06980	7.6
119.08566	29.5
121.06451	5.4
121.10135	14.6
123.08025	7.5
125.09621	35.5
127.03904	10.4
131.08542	14.6
133.10101	25.5
135.08023	13.1
135.11668	15.3
137.05951	4.8
137.09567	6.0
143.08495	5.9
145.04948	6.9
145.10080	20.2
146.99615	5.9
147.11635	8.9
149.09613	10.3
149.13231	15.3
155.10608	11.8
157.10112	5.3
159.11653	16.3
161.13332	6.7
163.11165	9.6
173.11731	95.4
173.13121	5.8
177.12695	12.5
187.13263	73.2
195.13806	27.5
197.13235	5.4
203.12746	39.6
213.14804	10.1
227.16370	11.2
229.19591	3.9
239.17978	5.7
257.18976	12.5
275.20007	64.7
289.21606	13.9
293.21100	4.6
307.22610	14.3
319.08209	11.6
319.58371	6.1
328.08722	6.5
330.59042	7.1
337.09232	8.2
360.10434	6.4
360.26263	9.1
361.10596	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	360.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44562	0.3
53.30281	0.3
55.01837	0.4
55.05487	0.3
57.03412	0.6
61.02914	0.6
67.05482	1.1
69.03423	3.5
69.77107	1.1
69.77509	0.6
70.06563	1.1
72.08151	1.8
73.02867	0.3
75.79961	0.3
79.05451	0.3
81.03392	0.6
82.06567	0.3
84.08134	0.5
85.02893	6.6
86.09687	0.6
88.03999	0.3
91.03912	0.6
91.05454	0.4
96.04465	0.7
97.02888	2.1
98.09688	1.6
98.63744	0.3
99.04446	0.3
100.03934	0.5
107.04915	0.4
109.02857	0.4
109.10174	0.3
110.06013	0.4
110.09610	0.5
111.08047	1.3
112.07607	1.3
120.08091	1.2
127.03912	1.9
128.10696	1.8
133.05179	0.3
134.06007	0.5
134.09621	0.9
138.09085	0.3
140.07059	0.6
145.04958	1.5
147.04376	0.5
148.06055	0.4
150.09128	0.4
151.07527	0.3
152.10770	0.6
153.21010	0.3
154.12253	0.5
156.10188	1.9
156.32787	0.3
162.09113	5.4
163.07481	0.5
169.08411	0.3
180.10182	13.4
181.10559	0.4
198.07541	4.1
198.11230	100.0
199.11536	1.9
213.15796	0.3
245.16415	0.6
255.65842	0.3
342.25333	0.3
346.06113	0.3
360.16492	16.6
360.26288	6.0
360.30637	0.5
361.16721	0.8
362.72784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01870	0.7
55.05490	0.6
56.96564	3.2
57.03421	0.7
58.06564	0.2
60.04500	0.3
60.50307	0.2
61.02900	0.9
67.05483	0.5
69.03427	2.5
69.07053	0.3
70.01998	1.1
70.06587	2.0
71.04965	0.3
72.08150	2.7
73.02901	0.3
73.08493	0.2
74.06061	0.2
74.97581	0.5
79.05479	0.3
81.03406	1.5
81.07063	0.3
81.89260	0.2
82.06554	0.5
84.04475	0.3
84.08134	1.0
85.02893	6.1
86.09700	2.1
87.04475	0.3
87.10024	0.3
89.10764	0.3
91.03927	0.3
91.05465	0.7
93.07050	0.4
95.04936	0.4
96.04468	0.4
96.08121	0.5
97.02900	2.1
98.06031	0.8
98.09684	1.2
98.97596	0.3
99.04453	0.5
103.05450	0.4
105.06988	0.3
109.02888	1.8
109.61716	0.2
112.07604	1.4
113.05942	0.3
115.03904	0.2
116.07120	0.2
116.98580	0.4
119.04889	0.4
120.08113	0.5
121.06504	0.2
123.08075	0.2
127.03907	2.7
127.40479	0.2
129.05392	0.2
129.53207	0.3
131.04912	1.0
133.06468	0.3
134.09637	0.5
134.99631	0.3
135.08058	0.3
136.07533	0.4
137.05984	0.5
138.09261	0.3
140.07117	0.3
145.04980	1.6
147.04401	1.3
148.04756	0.3
148.07579	0.3
150.09164	1.1
150.99164	1.1
151.07513	0.8
152.10693	8.7
153.11078	0.3
161.05873	0.2
162.05496	0.3
162.09117	1.9
163.03883	1.0
163.06036	0.3
163.07510	0.8
167.06950	0.3
169.00171	0.7
169.01663	0.4
170.11757	5.2
177.02205	2.7
180.08580	0.5
180.10181	8.3
181.04997	0.4
186.12787	1.0
187.02719	0.4
189.05460	0.3
189.12271	0.3
190.12482	0.2
192.10284	0.3
195.03275	4.0
198.11238	100.0
199.08784	1.0
199.11562	3.0
200.14453	0.2
204.13733	0.2
218.04803	0.3
223.07631	0.2
231.14919	0.7
235.02684	0.3
238.89618	0.2
239.02277	0.9
240.07462	0.3
245.16695	0.3
249.16023	0.2
253.03839	0.3
257.03265	0.3
259.14450	0.7
267.92978	0.2
279.01642	0.7
297.02753	2.0
297.19583	2.3
303.13321	0.3
314.22223	0.6
315.03851	1.4
315.20538	0.8
320.04492	0.5
342.21640	0.7
360.16644	1.1
360.22778	28.3
360.26248	1.7
361.10629	0.3
361.14310	0.5
361.18161	0.3
361.22937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73360	1.3
55.01864	11.4
57.03438	13.2
61.02920	4.2
63.56913	1.2
69.03424	38.6
70.58122	2.4
70.58515	3.1
71.04963	1.5
73.02903	6.8
81.03419	5.2
84.56077	1.3
85.02899	100.0
86.03255	1.8
87.04456	1.4
88.91743	1.5
97.02885	38.4
99.04436	7.3
101.02366	5.7
109.02869	5.8
115.03915	4.7
119.80584	1.4
127.03910	69.4
145.04945	59.4
157.40334	1.3
163.06027	16.5
180.08656	3.8
306.86850	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23387	2.6
54.95505	2.5
55.05514	15.1
57.03431	3.3
57.07071	100.0
67.05209	2.8
67.05507	26.6
69.07053	18.8
69.33467	2.6
69.98177	17.2
71.08627	72.6
75.04446	4.0
77.01723	2.5
81.07051	40.2
81.46945	2.9
83.08614	22.1
85.02908	5.9
85.10170	38.8
88.07598	5.4
89.06030	4.5
91.05426	3.0
93.07048	3.1
95.08595	57.5
97.10171	25.1
105.03717	14.0
105.07042	4.3
107.08618	3.1
109.10158	29.5
111.11706	10.3
121.10086	5.3
122.06347	5.5
123.11702	14.2
127.03899	3.7
137.13234	8.6
142.74707	2.6
145.04968	3.1
167.19145	2.6
226.67000	2.4
238.01692	2.4
249.25722	3.4
267.26773	17.1
272.42603	2.4
285.27896	7.2
296.29407	32.4
311.25143	2.8
335.77277	2.5
341.26642	4.2
341.30548	71.9
342.30890	4.0
359.29620	3.8
359.37039	39.8
360.29337	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	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01865	0.6
55.05485	0.3
56.57903	0.3
56.64461	0.4
57.03420	0.7
60.04525	0.4
61.02919	0.7
65.03938	0.7
67.05503	0.3
68.73515	0.3
69.03428	1.5
69.07059	0.7
69.72107	1.7
69.72535	0.7
70.06570	1.9
71.03761	0.3
72.08148	1.7
75.17093	0.4
77.03902	0.4
79.05469	0.7
81.03405	0.8
81.07047	0.5
84.04484	0.4
84.08125	0.8
85.02895	5.0
86.09692	1.8
91.05464	1.1
92.03964	0.3
93.07046	0.7
94.07367	0.3
95.04966	0.7
95.08607	0.4
97.02867	1.9
98.09637	0.4
99.04453	0.6
105.07031	0.7
106.07390	0.4
107.04950	0.5
107.08573	0.6
109.02888	0.9
109.06518	0.4
116.07065	0.4
119.04913	0.9
120.08098	0.5
121.02837	2.9
121.06499	0.5
121.10141	0.4
127.03907	1.7
130.06502	0.4
133.02850	2.1
133.10146	0.5
135.04402	1.8
137.05983	0.7
145.04883	0.8
147.04362	1.8
149.02324	100.0
150.02660	1.8
150.07762	0.4
152.07111	0.4
159.04376	0.4
161.09660	0.4
162.07614	0.4
163.03888	69.4
164.04222	1.5
165.05440	0.5
167.03401	2.2
170.01767	0.4
175.03903	0.7
175.07460	0.4
180.08694	1.1
180.11069	0.8
181.04941	33.7
187.03862	0.4
197.11705	0.8
198.07593	0.5
198.12044	1.9
201.14163	0.4
207.06528	0.4
215.03363	0.7
215.06966	0.6
218.18138	0.3
218.72906	0.3
226.56268	0.3
261.04095	0.4
333.07547	1.3
342.22672	0.5
360.16208	0.7
360.26746	0.8
360.89651	0.4
361.07043	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	359.1696
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	1.7
55.01865	2.5
55.05498	2.6
55.96789	0.6
56.96564	0.9
57.03421	2.2
59.04984	0.8
61.02919	2.4
66.35716	0.6
67.05495	5.0
69.03429	9.8
69.07056	4.8
69.65484	1.7
69.65891	3.7
70.06587	6.1
71.04976	3.1
72.08148	6.5
73.02912	1.5
79.05483	6.5
81.03419	4.9
81.07047	13.5
83.08603	1.1
84.08121	2.0
85.02898	23.5
85.06525	2.6
86.09702	9.5
87.04481	1.2
91.05458	8.2
93.07035	11.8
95.04972	3.3
95.08595	8.2
97.02880	6.7
97.06508	1.8
98.20815	1.6
98.97585	0.9
99.04419	1.8
99.08074	0.8
103.05444	1.9
105.07029	12.7
107.04948	1.1
107.08585	38.3
109.02857	5.2
109.06495	1.9
109.10142	7.2
111.08051	2.8
114.05524	0.7
116.98590	1.2
117.07012	1.6
117.32636	0.6
119.04932	3.0
119.08582	8.1
120.08128	1.1
121.02821	1.0
121.06474	2.0
121.10139	11.0
123.04382	1.7
123.08082	1.4
123.11713	5.2
125.05927	0.7
125.09628	1.6
127.03918	5.1
129.10156	0.7
131.04945	1.1
131.08569	2.0
133.02831	0.8
133.06482	1.5
133.10124	21.0
135.11684	2.8
137.05980	8.8
137.09590	1.6
137.13248	0.9
138.05504	0.8
138.09152	0.9
139.07521	1.8
141.10158	0.8
143.08568	1.0
145.04948	3.9
145.10132	1.2
147.04413	5.2
147.08058	1.0
147.11662	3.4
149.02342	11.3
149.05994	1.5
149.09604	3.8
149.13223	1.2
151.03906	1.7
151.07507	2.0
151.11163	9.8
153.12752	0.9
155.11783	1.7
159.07990	0.9
161.05954	1.6
161.09598	6.0
161.13263	0.8
162.06755	0.9
163.03886	9.5
165.05438	1.0
167.07063	1.8
167.10667	12.0
169.12230	2.6
173.13237	1.2
175.07545	2.1
175.14708	1.2
179.07060	1.0
179.10658	20.2
180.11018	0.8
181.04988	4.3
189.16377	0.9
193.08540	1.0
195.01813	0.8
196.13191	1.1
197.11714	100.0
198.12085	1.8
200.13934	2.7
201.12485	0.9
205.08632	1.3
214.14412	0.7
228.13533	1.1
272.09119	1.2
279.10263	0.8
287.23669	1.1
305.24734	2.0
313.06940	1.3
323.25662	1.3
341.14023	1.4
359.08005	2.4
359.15839	1.3
359.19601	1.4
359.23489	1.1
369.95892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01857	1.9
55.05516	1.8
57.03407	1.6
59.04981	1.7
61.02913	2.5
67.05503	2.2
69.03427	8.7
69.07047	2.0
70.06586	1.7
70.76163	1.9
70.76556	1.6
71.04965	1.5
72.08131	2.0
73.02905	1.0
79.05505	1.0
81.03399	3.5
81.07040	4.0
83.04979	1.0
85.02899	30.1
86.09691	3.9
91.03975	1.6
91.05486	4.5
93.07030	7.2
95.08602	1.7
97.02905	7.1
99.04458	1.5
105.07029	6.6
105.45605	0.9
107.08585	19.5
109.02863	3.6
109.06466	2.1
109.10159	2.6
113.06084	1.1
119.04913	1.6
119.08546	2.9
121.06511	2.7
123.11698	2.8
127.03914	5.3
131.08571	1.0
133.10117	19.4
135.11679	16.3
137.05943	2.2
137.09593	1.9
141.72713	0.9
143.23361	0.9
143.85146	1.0
145.04936	3.6
147.04379	1.2
151.11180	2.5
161.09618	8.1
168.65160	1.0
179.10677	34.8
180.10953	1.1
193.43217	0.8
197.11728	100.0
198.12038	4.7
210.76689	0.9
216.28152	0.9
383.34274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64357	0.3
53.03938	0.6
55.01844	0.6
55.05497	0.7
57.03424	0.8
61.02904	1.4
63.42623	0.3
67.05486	1.0
69.03426	3.1
69.07059	0.9
70.06577	1.1
70.60475	0.3
71.04990	0.6
72.08153	1.9
73.02886	0.9
74.98415	0.3
79.05473	1.1
81.03399	1.0
81.07062	2.2
84.08125	0.7
85.02901	9.4
85.06529	0.4
86.09705	4.0
87.04439	0.6
91.03979	0.3
91.04941	0.4
91.05466	3.2
92.85963	0.3
93.07038	5.4
95.04952	0.6
95.08591	1.9
97.02885	2.3
97.06512	0.4
98.09668	0.4
98.21524	0.8
99.04437	1.0
103.12298	0.3
105.07026	6.2
107.04974	0.4
107.08585	30.9
108.08904	0.9
109.02868	0.9
109.06537	0.9
109.10146	1.9
110.04098	0.4
117.06991	0.9
119.04948	0.9
119.08582	4.4
121.06514	0.5
121.10139	5.9
123.08077	0.7
123.11712	0.7
125.05949	0.3
125.09610	0.6
127.03915	1.9
131.04971	0.4
131.08557	0.4
133.06462	0.3
133.10121	17.0
134.10455	0.9
135.11659	0.5
137.06009	0.8
137.09593	0.4
139.07504	1.4
143.08553	1.0
143.11795	0.3
145.04927	1.3
147.04430	2.0
149.09589	3.7
151.07535	0.6
151.11171	7.3
153.05397	0.4
161.09615	4.8
163.03802	0.4
167.09294	0.7
167.10666	11.7
176.23817	0.3
176.78784	0.3
177.05527	0.4
179.10661	16.1
197.11717	100.0
198.12090	3.5
200.14046	0.4
201.09175	0.5
201.12355	0.5
326.91504	0.3
341.18341	0.5
359.20016	2.2
359.24203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01851	2.4
55.05488	2.3
57.03415	2.8
59.04986	1.6
61.02926	5.2
67.05522	3.3
68.00505	0.7
68.05029	0.8
69.03425	12.8
69.07067	1.2
69.71893	5.0
70.06589	5.5
71.01348	0.8
71.04971	2.7
72.08149	12.2
73.02888	2.0
79.05479	2.8
81.03410	5.3
81.07040	3.9
83.04980	1.3
84.04504	1.4
84.08115	3.2
85.02901	35.3
85.06519	2.2
86.09706	3.2
87.04446	2.4
89.10773	1.0
91.03937	2.4
91.05445	5.1
93.07028	6.1
95.04940	2.8
95.08608	4.4
97.02889	12.8
97.06517	2.0
98.09656	2.0
99.04439	2.8
99.08034	0.7
105.07026	7.6
107.04938	1.3
107.08589	54.7
108.08904	1.4
109.02866	5.1
109.06486	2.8
109.10146	8.5
111.04404	0.8
111.08072	1.2
117.06973	1.2
119.04917	1.2
119.06017	0.8
119.08563	3.0
121.06488	2.0
121.10113	2.0
123.04426	0.7
123.11700	1.2
124.07588	0.8
126.05461	2.0
127.03910	9.4
129.10266	0.9
130.06544	1.0
131.04878	1.1
131.08568	1.0
133.06461	1.7
133.10120	22.7
135.04355	1.1
135.11694	10.2
137.05939	1.6
137.09613	7.0
138.05493	0.8
138.09956	0.7
141.06868	0.8
143.11797	0.9
145.02802	1.3
145.04933	8.4
147.04437	3.3
151.11179	4.7
153.05405	0.8
157.07626	0.7
161.09599	7.7
163.03893	7.4
163.06062	0.8
167.06985	0.8
171.11214	0.7
179.09090	1.2
179.10658	23.0
180.10165	1.0
197.11707	100.0
198.12056	3.3
201.12289	0.9
229.11739	1.1
234.11256	2.0
259.39655	0.7
266.54507	1.2
305.24890	0.9
323.25739	1.0
342.25546	0.9
359.11703	0.8
359.16211	17.8
359.23447	1.4
372.60651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1124
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
50.47043	0.3
55.01866	0.4
55.05487	0.3
65.03914	0.4
67.05499	0.8
68.34454	0.3
69.03445	1.7
69.07076	0.6
69.47897	0.9
69.48322	1.9
69.83809	0.3
70.89611	0.3
72.08160	0.4
79.05489	0.6
79.28123	0.3
81.03401	0.5
81.07043	1.1
83.08624	0.3
85.06501	0.4
86.09731	0.3
86.69180	0.3
91.05465	1.8
93.03407	3.1
93.07052	0.9
95.01323	0.4
95.04945	0.6
95.08593	0.7
103.05466	0.4
105.03377	0.5
105.07027	1.4
107.01294	0.6
107.04935	2.7
107.08561	0.5
109.02874	0.6
109.10150	0.6
109.20565	0.3
115.05455	1.3
117.06992	0.7
119.04954	2.0
121.02887	2.3
121.06502	0.4
123.04421	0.7
131.04918	2.0
133.02829	0.6
133.06477	0.4
133.10170	0.3
135.04422	0.8
137.02356	1.0
137.05980	0.6
138.08989	0.3
143.04909	1.5
145.02896	0.5
145.06464	1.2
147.04393	1.2
149.05981	0.3
157.06505	0.8
159.04445	0.6
161.06006	0.8
163.03888	0.6
165.07062	0.3
167.07161	0.6
171.08131	0.4
173.06030	1.1
175.03842	0.4
177.05492	0.9
178.07768	0.5
179.08629	0.3
181.06473	0.7
183.08026	0.6
185.05994	0.5
187.03882	0.3
189.05423	0.3
193.10051	0.4
197.05775	0.4
197.11755	0.4
199.07503	1.8
201.05510	0.6
202.07784	0.6
203.08556	0.4
205.04945	3.0
206.07167	0.5
211.11119	0.4
213.05466	1.2
219.08218	0.3
221.04439	0.4
221.09691	0.6
224.08368	0.3
225.05319	0.3
225.09146	0.4
227.07048	1.1
231.08040	0.9
234.06877	0.7
237.05321	0.4
239.10628	0.6
249.09145	0.7
251.07242	0.4
252.07883	0.6
253.08722	0.5
255.06471	2.3
267.06531	0.8
267.10156	3.0
269.07962	0.6
273.07611	2.1
277.08633	0.7
280.07211	0.4
281.08087	0.9
295.06586	0.6
295.09680	2.1
297.07693	0.6
305.08109	2.0
323.09131	100.0
324.09528	3.7
341.10193	58.1
342.10596	2.5
358.68387	0.6
359.11240	54.6
360.11676	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	359.1123
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
54.71050	0.3
55.05426	0.8
57.03345	0.5
62.27364	0.3
67.05428	0.7
69.03365	0.4
69.07002	0.6
70.75975	0.7
70.76311	0.4
72.08073	0.8
73.02845	0.3
79.05416	0.4
81.03326	0.5
81.06936	0.9
85.02818	0.5
87.35089	0.3
89.03796	0.3
91.05379	0.7
93.06921	0.9
95.04863	0.8
95.08505	1.0
97.06490	0.4
105.03345	0.4
105.06911	0.9
107.04851	0.5
107.08455	1.0
109.02782	0.8
109.10066	0.7
117.03276	0.6
121.02769	0.7
121.10003	0.4
123.04321	0.7
127.03809	0.4
131.04788	0.4
133.02760	0.4
133.06421	0.4
133.09991	1.0
134.03540	0.5
137.05966	2.2
145.02756	1.0
145.09993	0.3
147.04346	0.8
147.11499	0.4
149.02292	0.8
149.05873	0.8
151.03903	2.6
151.11115	0.4
153.05298	0.3
157.10065	0.4
161.02148	0.4
161.05852	0.6
163.03806	0.8
164.04597	0.7
167.06836	0.4
167.08272	0.4
171.07988	0.4
177.01756	0.5
177.05215	0.5
179.03268	1.1
180.04015	0.3
181.04839	0.5
191.03357	0.4
192.03970	0.4
193.04994	2.1
197.06027	0.5
197.11592	0.7
199.07478	0.4
209.04346	1.2
210.05252	2.4
211.07536	0.5
223.07478	0.4
227.06924	1.4
237.05412	0.4
238.06055	0.5
239.06934	1.2
241.04761	0.3
241.08485	1.1
242.09285	0.5
251.06992	0.6
252.07619	0.4
253.08502	1.5
255.06458	2.3
265.05139	0.5
265.08609	0.4
269.08118	7.6
270.08810	2.2
279.06506	0.4
281.07999	1.3
283.06018	3.0
284.06525	0.4
285.11203	1.2
293.04358	1.5
293.07977	0.8
294.05087	0.5
295.05557	0.4
296.06738	0.5
297.07578	2.2
298.08200	0.8
305.24518	0.4
308.06671	0.5
309.07520	4.1
310.04639	0.5
311.05493	2.7
311.08960	0.6
323.09128	1.4
323.25510	0.5
325.04089	0.2
325.07047	9.9
326.07828	37.8
327.08322	2.3
341.10187	100.0
342.10562	5.0
359.11246	46.4
360.11615	2.4
370.80960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1492
Annotation	Bakankoside
Peak:m/z	Relative Intensity
52.54816	0.3
55.01866	0.3
55.71333	0.2
56.92760	0.2
56.96546	0.7
57.03447	0.4
58.06593	0.6
59.30098	0.3
60.04510	0.3
68.05010	0.4
69.03419	1.0
69.55822	1.1
69.56249	1.0
70.06242	0.3
70.06584	1.4
71.04990	0.4
72.08136	1.3
81.03407	0.5
82.06561	0.6
84.04482	0.6
84.08141	2.0
85.02897	2.7
86.06047	0.7
86.99504	0.3
88.07630	0.9
91.05464	0.5
92.05000	0.5
93.07029	0.4
93.67621	0.2
94.06552	2.9
96.04450	0.4
96.08132	0.6
96.94253	0.3
97.02901	0.8
97.06509	0.5
98.06084	0.3
98.09679	0.7
98.97591	0.5
99.04516	0.3
100.07590	0.6
102.09164	0.4
102.51063	0.3
105.07024	0.3
106.06564	0.3
108.04490	0.4
108.08103	0.7
109.06494	0.3
110.06037	2.9
110.07172	0.3
112.07590	0.3
114.09159	3.2
116.98583	0.4
120.08084	0.4
123.06785	4.4
124.07560	0.4
125.05988	1.1
127.03941	0.4
130.08603	0.4
135.08098	0.3
136.07646	0.3
138.05484	100.0
139.05838	1.6
140.07057	0.6
142.08597	0.4
147.04335	0.7
148.07504	0.6
149.05904	0.3
150.05482	1.2
150.09122	0.7
151.06363	0.3
152.07079	0.4
152.79329	0.3
155.11772	0.9
156.10107	0.4
160.07544	0.4
162.06606	0.5
162.09065	0.3
166.08675	1.3
174.98534	0.4
178.06116	0.8
178.08568	1.8
190.06050	0.6
196.09674	17.2
202.54138	0.3
208.07207	0.5
209.13025	0.3
211.14450	0.7
213.16222	0.3
223.14407	1.6
225.16061	0.5
226.08206	2.3
226.79076	0.3
239.14063	0.5
241.15439	1.0
268.45316	0.3
281.18512	0.4
284.98447	0.3
299.19431	0.5
300.10950	0.3
323.19681	0.4
338.84943	0.3
340.22336	3.7
341.20779	0.4
358.14917	43.6
358.23376	9.7
359.15137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01873	2.3
55.05508	28.2
57.07073	14.3
65.03928	2.3
67.05158	3.1
67.05504	37.2
69.07065	56.8
70.42164	2.9
70.42562	4.2
70.61198	1.9
71.04986	2.3
71.08626	7.2
79.05496	14.4
81.03394	2.6
81.07051	93.8
83.04986	2.9
83.08612	41.1
85.06536	16.4
85.10194	2.9
91.05480	6.2
91.60891	1.6
92.65302	1.6
93.07042	29.3
95.04970	5.4
95.08601	100.0
96.45398	1.8
97.06531	6.3
97.10165	32.2
98.21451	2.4
99.04436	2.3
99.08098	3.0
103.05464	1.6
104.81855	1.6
105.07014	16.7
107.08594	25.9
109.06516	6.5
109.10152	52.1
111.08108	4.0
111.11684	17.7
111.40159	1.6
115.07596	4.3
117.07032	3.3
119.08557	13.7
121.06505	2.2
121.10137	22.0
123.04420	29.8
123.08069	5.0
123.11699	30.3
124.04750	10.0
125.04969	2.8
125.05947	1.8
125.13261	6.9
127.07562	8.8
131.08565	7.8
133.10132	16.0
135.08047	3.6
135.11682	22.5
137.05978	3.5
137.09619	6.0
137.13228	14.2
141.09099	4.2
144.59680	2.1
145.10072	9.0
147.04407	2.2
147.11682	13.0
149.09618	5.0
149.13268	12.7
149.14325	2.0
151.03908	2.7
151.11174	8.0
151.14812	8.0
153.09093	3.6
155.10680	3.6
159.11714	5.4
161.13240	9.8
163.11200	3.9
163.14862	5.5
165.05473	2.8
165.12785	6.7
165.16441	4.6
167.10675	7.3
169.12268	2.8
173.13264	7.0
175.14830	5.3
177.05582	1.6
177.12732	5.8
177.16388	4.5
179.14369	3.0
179.17972	4.1
181.12221	4.8
183.13776	1.7
187.14877	3.6
189.16336	4.2
191.14258	2.3
193.15894	3.7
193.19510	2.0
195.13861	9.4
201.36998	1.6
203.17992	3.5
205.15866	2.6
207.17505	3.0
209.15195	3.5
211.16808	1.9
212.83583	1.6
213.16354	1.8
221.11690	3.8
221.18877	2.9
222.12050	6.0
223.12373	8.8
223.14491	1.6
223.17035	2.1
229.19458	1.9
237.18576	2.4
251.20123	2.2
261.25778	7.5
265.21683	3.3
285.06897	1.9
285.25787	13.0
301.09909	4.7
303.26831	18.4
321.27896	62.9
337.94299	2.0
339.08640	3.2
339.12320	2.0
339.29208	7.9
357.13358	4.7
357.24329	3.0
357.29865	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	357.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47837	1.1
53.03942	1.1
55.05504	24.7
56.05822	1.3
56.96576	1.1
57.03423	3.9
57.07072	13.6
57.74644	1.0
62.06104	1.0
67.05495	24.7
69.07059	36.2
69.88577	6.2
70.06577	9.5
70.07388	1.7
71.04980	2.3
71.06907	1.8
71.08617	7.6
75.04445	1.0
79.05479	15.3
81.07044	26.8
83.04969	2.3
83.08612	20.2
84.08950	1.2
85.10157	3.9
88.07616	10.5
89.07944	1.2
91.05460	2.0
93.07030	16.6
94.14056	1.0
95.02156	0.9
95.04958	1.6
95.08595	27.4
97.06522	7.3
97.10153	13.3
99.08103	1.2
101.10643	1.1
102.09155	2.7
103.03928	1.1
105.07004	3.1
106.08665	5.3
107.08564	11.4
109.10143	17.2
111.08030	2.4
111.11710	4.5
119.08575	2.9
121.10124	25.1
123.04424	3.0
123.08051	1.3
123.11662	4.9
125.09602	2.6
125.13284	1.6
133.10089	1.5
135.11674	19.5
137.13251	2.2
139.11185	1.2
143.08574	1.0
149.13260	8.4
151.14803	2.7
157.10153	1.5
157.12215	1.5
163.14815	3.6
165.16396	2.3
167.14296	1.8
177.16377	1.9
191.17940	1.9
233.15486	1.1
247.24181	26.1
248.24440	1.3
265.25244	26.6
283.26306	3.1
335.20636	3.0
339.28928	22.5
339.34348	6.1
357.26163	13.6
357.35507	100.0
358.22046	1.4
358.26538	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	357.1693
Annotation	8-Prenylafzelechin 5-methyl ether
Peak:m/z	Relative Intensity
55.01854	0.5
65.03908	0.9
67.05493	2.6
68.63853	0.4
68.99760	0.8
69.03418	0.5
69.06718	0.6
69.07063	9.0
69.41843	0.8
69.42253	2.8
71.98090	0.4
79.05486	1.5
81.07056	0.8
91.05481	1.1
93.07017	0.8
95.04939	3.3
103.05415	0.8
105.07018	2.7
107.04965	0.6
107.08589	0.5
115.05472	0.6
117.07010	2.2
119.08598	0.4
121.06483	0.8
123.04414	100.0
124.04737	1.3
128.06194	0.5
133.06468	4.0
133.10107	0.5
135.04391	1.3
135.07996	0.7
137.05972	1.0
138.03111	1.8
143.08549	1.3
145.06458	1.0
147.04401	1.1
149.05975	3.8
150.06374	0.8
153.05453	23.7
154.05829	0.5
157.44133	0.4
161.05962	0.8
161.09633	0.5
163.07518	1.9
165.05475	2.6
167.07043	2.3
171.08020	0.8
171.88438	0.4
173.06003	0.4
175.07520	0.5
175.11205	0.5
176.04636	0.7
179.07034	7.1
188.08228	0.5
189.09081	1.5
190.61642	0.4
191.06984	4.8
191.10637	2.8
203.10681	0.8
206.09276	0.7
221.11708	19.3
235.13217	1.3
247.64073	0.4
269.08093	0.4
283.09525	0.5
285.11093	1.3
301.10675	33.3
302.11148	0.8
324.06226	0.4
339.08594	1.8
339.16010	0.7
346.23755	0.4
357.09543	0.4
357.16418	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	357.1693
Annotation	Glyasperin C
Peak:m/z	Relative Intensity
55.01857	0.6
55.05503	0.6
57.07055	0.5
57.95061	0.3
58.25301	0.3
65.03928	1.8
67.05499	7.4
68.99779	2.2
70.26712	1.3
79.05482	1.3
81.07059	2.5
85.06551	3.3
86.09701	0.4
91.05468	2.3
93.07028	0.9
95.04962	4.1
103.05446	0.8
105.04511	0.4
105.07011	2.6
107.04974	3.0
108.61378	0.4
111.94058	0.4
115.05459	0.6
117.06995	1.2
119.04956	0.5
119.08587	0.4
120.05742	1.0
121.06501	6.9
123.04417	100.0
124.04763	1.5
131.04939	0.7
133.06490	0.9
135.04420	3.1
137.05969	2.6
145.06482	2.1
147.04390	0.7
147.07994	1.9
149.05971	14.4
150.06764	6.6
151.03934	0.5
151.07558	4.2
161.05966	0.8
163.07527	19.2
165.05452	0.9
167.03340	0.9
175.07542	4.2
189.09167	0.5
203.10606	0.9
217.12263	0.7
221.11708	74.3
222.12039	1.4
235.13264	4.3
244.93773	0.5
247.13269	2.6
285.11188	18.1
286.11575	0.5
357.13254	0.5
357.16925	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	357.1693
Annotation	Glyasperin C
Peak:m/z	Relative Intensity
53.03939	1.2
55.01859	1.2
55.05497	0.8
57.03424	0.5
62.06077	0.6
65.03932	1.3
67.05505	6.2
68.32039	0.5
68.99795	2.4
69.03443	2.5
69.07064	1.6
79.05486	2.3
80.49363	0.5
81.03417	3.7
81.07047	3.7
83.04959	0.5
83.08624	0.9
85.02905	1.1
85.06548	3.3
91.05460	4.5
91.64899	0.5
93.07027	2.4
95.04958	3.2
95.08606	2.1
97.02898	0.9
99.04429	0.6
103.05438	1.4
105.03363	0.5
105.07015	2.4
107.04933	1.9
107.08604	1.3
109.02863	3.7
109.06478	0.7
109.10147	1.0
110.10472	0.5
111.04414	0.5
117.03392	0.6
117.07011	0.9
119.04897	1.0
119.08556	0.8
121.06489	4.4
121.10126	1.1
122.07268	0.7
123.04425	76.3
123.11678	0.7
127.03889	2.5
129.06982	0.5
131.04933	0.8
133.06555	1.1
133.10089	0.9
134.03644	1.3
135.04434	1.5
135.08008	0.9
137.05981	5.9
139.03905	0.6
143.08578	0.5
145.06487	1.8
145.10136	0.7
147.04402	3.5
147.07985	1.2
147.11707	0.9
149.05983	11.1
149.07051	0.4
150.06764	4.3
151.03905	1.5
151.07530	3.7
153.05479	0.6
161.13211	0.7
163.03943	1.1
163.07542	14.7
165.05513	2.4
166.06342	0.5
171.08032	0.6
175.03877	0.6
175.07564	3.3
177.05501	0.8
179.06967	0.7
191.03397	1.9
193.12106	0.5
195.08078	0.8
204.06531	0.6
209.04453	3.0
213.03992	0.7
213.09137	0.6
217.12109	0.8
221.11717	55.8
223.07536	1.1
235.13313	2.5
239.07005	1.8
240.07866	1.0
247.13324	1.9
251.07027	1.1
267.06470	5.0
268.07278	1.4
279.06546	0.9
281.04388	0.6
285.08005	0.8
285.11209	11.9
295.05988	3.9
296.06821	3.8
306.05316	0.6
311.09076	1.8
311.12424	0.6
321.07663	0.9
323.05426	3.3
324.06271	37.2
325.06531	2.6
326.17157	0.6
339.08621	100.0
340.04919	0.8
340.08932	7.0
348.16931	0.7
357.09659	28.8
357.13309	2.9
357.17044	3.0
357.24130	0.9
357.28271	0.7
358.09912	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	357.1328
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.03931	0.3
55.01859	0.6
55.03750	0.2
55.05487	0.2
59.04992	0.3
63.71606	0.2
65.03921	0.5
67.05497	3.3
68.99799	0.6
69.03409	0.7
69.84946	1.0
69.85361	0.5
70.05965	0.2
71.05021	0.2
75.29410	0.2
79.05484	0.5
81.03395	0.8
81.07046	1.0
85.02869	0.4
85.06509	0.2
91.05469	0.7
93.07058	0.4
95.04965	4.7
95.08572	0.6
97.02893	0.2
97.06518	0.2
99.04427	0.2
105.07007	0.3
107.04968	1.0
107.08578	0.5
109.02899	1.1
109.10123	0.3
111.04449	0.2
119.04924	0.5
119.08548	0.3
121.10140	0.4
123.04415	100.0
124.04754	2.0
127.03899	0.8
131.04874	0.4
131.08577	0.3
133.10126	0.3
135.04413	0.9
137.05974	0.8
141.06999	0.2
145.06525	0.2
147.04393	8.5
147.08031	0.4
149.06062	0.5
151.03886	5.1
159.04445	1.1
159.07957	0.3
159.11662	0.2
161.05966	0.4
161.09627	0.3
163.03886	0.9
163.07549	0.5
167.03267	0.3
167.07057	0.3
173.05972	0.4
175.03888	1.3
175.07561	0.7
177.05527	0.3
177.09096	0.7
187.07521	0.7
192.18478	0.2
193.08493	0.4
197.06012	0.3
205.08540	1.1
215.07007	0.5
217.08604	1.4
218.23332	0.2
223.09636	2.0
229.08545	0.6
239.07050	0.4
257.08038	0.9
267.06436	0.6
269.08167	0.5
281.08215	0.3
284.09259	0.2
285.07529	6.6
285.10620	0.4
286.08069	0.2
297.11227	0.4
307.09518	0.8
311.12561	0.3
324.06277	0.6
336.61423	0.2
339.08539	0.9
339.12247	1.5
357.13284	23.7
358.13525	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	357.1326
Annotation	Monotesone A
Peak:m/z	Relative Intensity
55.01849	1.5
57.02637	1.1
62.06071	2.0
67.05485	4.0
68.99773	5.9
69.03407	1.3
69.07063	100.0
70.17977	4.9
70.18340	1.9
79.05469	2.4
81.03400	3.6
81.07029	3.2
83.04948	2.0
85.02891	2.1
88.79361	1.2
91.05484	4.5
95.04942	1.9
95.08604	2.6
97.02866	1.8
98.21379	1.3
98.97540	1.1
99.75977	1.0
100.82728	1.1
105.06994	1.6
105.28802	1.2
107.04925	2.7
109.02846	5.6
109.10166	2.5
111.04385	2.3
119.04949	2.8
123.04424	29.3
127.03909	17.0
129.06882	1.5
131.08525	1.1
135.04367	3.2
137.05981	3.6
139.03876	4.8
145.06477	1.1
147.04387	21.8
149.05968	4.4
151.03894	37.3
153.01822	7.1
157.10199	1.0
163.03897	4.7
163.07637	1.2
167.03261	1.6
167.06940	1.3
173.06114	1.2
175.03900	46.5
176.04268	1.3
179.03381	21.9
179.07043	2.4
187.03922	1.4
191.10674	10.4
201.05563	1.1
202.76186	1.1
203.07011	1.4
203.10741	1.4
213.05464	2.2
215.07031	2.6
227.06979	1.9
231.10135	1.5
255.06459	2.2
261.07596	2.2
265.04913	2.0
271.06006	16.1
273.07611	1.7
283.05994	7.3
285.07437	1.3
289.07047	68.6
290.07437	2.5
301.07031	33.4
311.12607	1.3
329.13956	3.7
339.08426	2.5
339.12204	14.1
343.11783	1.9
357.08957	2.7
357.13293	46.7
358.13818	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	357.1331
Annotation	Brosimacutin F
Peak:m/z	Relative Intensity
53.03953	0.4
55.01866	0.4
55.05492	0.7
57.31495	0.2
65.03932	0.4
67.05495	0.7
68.99802	0.2
69.03401	0.6
69.07073	0.7
69.72266	0.7
69.72675	1.0
78.91584	0.3
79.05482	0.7
81.03407	3.2
81.07042	1.3
83.08603	0.3
85.02907	0.4
85.06549	0.4
85.75349	0.3
88.65656	0.2
91.05466	1.1
93.07021	0.8
95.04974	0.8
95.08588	1.1
97.02889	0.4
103.77843	0.3
105.07017	0.8
107.04953	0.5
107.08584	0.6
109.02850	1.0
109.10117	0.5
111.04380	0.4
117.07006	0.3
119.04953	1.3
119.08549	0.7
121.02865	5.3
123.04419	2.5
123.11673	0.5
127.03907	1.0
133.10159	0.6
135.08139	0.3
135.11653	0.5
137.05969	1.4
139.03880	1.2
139.21271	0.3
141.06921	0.5
143.08592	0.3
147.04338	0.4
149.02341	1.8
149.05957	0.9
149.13225	0.3
151.03961	0.3
151.07536	0.3
153.06964	0.7
155.08533	1.0
157.04848	0.3
163.07495	0.4
165.05528	0.7
165.07002	1.7
167.03432	0.6
177.65831	0.3
179.07106	0.3
183.08031	2.1
187.14925	0.3
193.06429	0.6
203.10646	0.5
204.06602	0.3
211.07545	3.4
213.09230	0.4
213.55873	0.3
221.05939	0.7
226.06223	0.3
239.07039	4.7
240.07364	0.4
254.05730	1.3
255.06483	0.4
267.06506	41.4
268.06915	1.8
269.07776	0.4
282.05252	1.9
285.07669	0.4
297.07556	100.0
298.07932	4.0
321.07556	0.9
324.06241	1.0
339.08716	2.6
339.12241	45.1
340.12549	1.9
357.09457	2.1
357.13303	9.4
357.20135	0.5
357.27814	0.7
358.13678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1329
Annotation	3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
55.01859	1.5
63.60367	0.3
65.03933	0.4
67.05510	2.7
67.64653	0.4
68.99786	1.7
69.07076	3.0
70.79340	1.2
79.05470	1.2
81.03397	0.5
81.07053	0.4
85.02868	0.5
87.58441	0.3
91.05489	0.5
93.03397	0.9
93.07012	0.5
95.04959	3.8
97.02853	0.6
107.04955	3.2
107.08599	0.6
109.02872	1.5
109.06551	0.4
111.04432	2.2
119.04913	0.6
119.08553	0.5
121.02803	0.7
123.04423	100.0
124.04736	1.2
127.03854	0.8
131.04945	0.5
133.02814	0.3
133.10164	0.5
135.04416	6.4
137.02327	0.9
137.05957	1.3
139.03896	10.4
145.10149	0.4
147.04422	0.9
149.06003	0.4
151.03877	1.2
151.07626	0.4
155.03378	0.9
157.06464	0.9
159.04469	0.4
163.03899	12.2
163.05226	0.8
165.01808	1.9
167.03415	2.4
171.04524	0.4
177.05377	0.6
179.03389	42.8
180.03763	0.8
183.02907	1.2
184.05069	0.4
185.05984	1.0
187.03905	2.7
191.03394	11.1
195.10147	1.0
199.07596	0.6
201.05428	0.9
203.10632	0.4
213.05438	2.7
219.10146	2.4
221.11783	0.5
227.07016	1.4
235.09755	0.8
237.05511	0.4
241.05043	0.9
247.09651	4.6
255.06511	4.8
270.99033	0.8
271.05945	0.9
273.07532	0.8
283.05997	33.0
284.06299	1.5
289.07010	1.3
300.05814	0.9
301.07007	13.8
302.07346	0.5
302.77405	0.4
324.06494	0.6
329.13721	0.7
339.08621	1.0
339.12256	14.8
340.12381	0.6
348.15063	0.5
357.13287	72.6
358.13718	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	357.133
Annotation	3,5,4'-Trihydroxy-4'',5''-dihydro-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
53.03942	0.6
55.01866	0.9
56.96557	0.5
63.83341	0.5
65.03954	0.6
67.05510	2.9
67.61311	0.4
69.07064	0.8
70.24464	2.2
79.05473	1.6
79.69575	0.5
81.03395	0.8
81.07038	1.7
85.02888	0.7
91.05476	1.7
93.07019	0.6
95.04977	3.5
95.08580	1.1
97.02882	0.8
103.05477	0.7
104.37691	0.5
104.72315	0.5
105.07041	2.8
107.04934	0.6
107.08588	1.0
109.02865	1.2
109.10111	0.8
115.05488	0.5
117.07034	1.2
119.08565	0.9
121.06496	1.0
123.04418	100.0
124.04761	0.9
133.06467	0.9
137.02351	0.6
137.05975	1.3
145.06490	1.4
147.04398	0.6
147.08025	1.3
149.05980	1.8
151.03896	0.7
151.07507	1.4
157.06575	0.6
163.03929	0.8
163.07535	18.5
165.01836	3.2
175.07544	3.4
177.09102	0.5
179.03384	29.3
180.03764	0.5
183.02898	2.4
185.06113	0.6
187.03917	2.7
189.72128	0.5
191.03391	20.8
192.03813	1.1
199.03870	0.7
199.07463	0.9
208.79247	0.6
213.05493	1.1
221.11684	2.1
227.06921	1.0
241.04993	1.0
255.06517	10.6
267.09918	0.8
283.05991	83.8
284.06320	3.7
285.11203	30.1
286.11566	0.6
301.07040	53.6
302.07278	2.3
324.06387	0.5
339.08511	1.7
339.12225	3.9
357.09424	1.0
357.13306	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	357.1331
Annotation	5-Deoxykievitol
Peak:m/z	Relative Intensity
53.03930	1.2
53.60061	0.5
55.01862	1.7
55.05496	1.3
57.03428	0.7
58.06290	0.5
65.03926	3.9
67.05494	3.4
68.99778	6.5
69.03411	3.0
69.07069	3.9
71.01329	0.9
71.04986	10.0
79.05490	2.7
81.03412	3.1
81.07053	8.2
83.08619	0.9
85.02906	2.3
85.06523	0.7
91.05468	3.8
93.03396	2.7
93.07030	2.7
95.01271	0.5
95.04955	6.7
95.08586	2.0
97.02875	1.6
98.20776	1.3
99.04445	19.5
103.05475	3.0
105.07024	3.2
107.04950	4.0
107.08578	1.7
109.02846	4.1
109.06498	0.7
109.10127	2.0
111.04432	2.5
117.06989	1.3
119.04967	0.7
119.08569	5.1
121.02865	2.0
121.06497	8.0
121.10157	1.3
123.04418	88.1
124.04737	1.4
127.03928	3.9
128.06273	0.9
129.07069	1.3
131.04927	1.1
131.08592	1.2
133.06467	3.0
133.10161	1.2
135.04373	1.2
135.07990	0.6
137.05966	3.0
139.03891	0.9
143.08545	0.8
145.06482	1.1
145.10120	0.9
146.07158	0.6
147.04396	3.8
147.08032	5.3
147.11771	0.5
149.02325	7.9
149.05971	29.3
149.13216	0.7
151.03894	1.9
153.05437	5.4
155.08556	0.6
157.06462	1.5
159.08070	1.8
159.11690	0.9
159.43581	0.5
160.05177	4.6
161.05975	7.7
161.09639	1.3
162.01074	0.6
163.03882	20.4
163.07529	0.7
165.05476	1.0
167.03403	9.8
167.07033	1.0
171.08125	0.9
171.11703	0.6
171.64023	0.5
173.06012	1.2
173.09612	2.1
174.06760	5.8
175.03938	4.2
175.07535	32.6
176.07861	0.8
176.55148	0.5
177.05511	0.6
177.09077	0.7
187.07547	1.3
188.04637	1.3
189.09120	3.2
191.10664	2.5
193.05019	1.4
193.08592	1.2
199.07451	1.0
201.09067	3.5
203.07028	20.8
204.07138	0.7
205.08585	1.1
211.07570	0.8
213.05496	2.8
217.08595	5.8
221.08076	6.2
221.11601	1.2
223.07661	0.7
229.08626	1.8
235.09685	1.4
267.06534	1.5
283.06052	1.4
285.07556	42.5
286.07916	1.6
297.11197	2.1
301.06909	1.5
311.12744	8.3
324.06168	3.5
325.06757	0.8
339.08524	5.7
339.12259	28.2
340.12512	1.3
357.13306	100.0
358.13614	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03944	1.5
55.01875	3.1
55.05503	33.9
56.96562	1.8
57.03424	10.7
57.07069	11.9
65.03925	3.2
67.05499	80.5
69.07064	41.8
70.69453	5.9
71.04987	2.9
71.08623	7.1
73.33352	1.4
79.05481	27.1
81.07051	100.0
81.51807	1.5
83.04973	1.8
83.08618	28.5
85.06540	3.4
85.10180	3.9
86.93289	1.5
91.05463	24.9
91.18291	1.7
93.07031	32.6
95.04979	3.0
95.08598	90.5
97.06508	9.1
97.10164	21.7
99.08092	4.6
105.07018	13.1
107.08591	23.1
109.10150	46.7
111.08062	5.4
111.11713	7.8
113.09613	4.0
115.07592	1.6
119.08556	15.9
121.10136	28.2
123.04408	9.9
123.08028	2.5
123.11700	25.5
125.09636	3.1
125.13245	2.0
127.11259	2.1
129.05469	3.8
133.10120	19.0
135.11694	18.1
137.09637	3.0
137.13239	13.7
137.49031	1.7
139.11101	1.6
140.03551	1.6
147.11685	11.9
149.05994	2.5
149.13245	13.3
151.11093	2.0
151.14822	7.2
161.13264	13.6
163.14803	14.1
165.12752	2.0
165.16391	8.7
175.14832	11.4
179.14397	2.1
179.17876	3.7
189.16449	5.7
193.15953	3.1
203.17824	2.6
217.19539	2.1
235.07654	1.9
245.22656	56.0
246.22966	2.8
247.24071	2.2
263.23691	62.4
282.08881	2.9
315.16229	4.3
333.17450	4.7
337.27322	44.3
351.18353	3.3
355.15314	1.9
355.28430	12.0
355.33749	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03938	3.0
55.01884	1.9
55.05260	2.2
55.05509	28.8
57.03441	7.9
57.07066	11.7
58.30285	1.5
65.03938	2.4
67.05502	78.8
69.03432	2.4
69.06718	2.6
69.07066	38.3
69.42803	5.5
69.43221	11.2
71.04970	4.2
71.08630	6.6
71.37920	1.7
75.80373	1.8
79.05482	25.8
81.07051	100.0
83.04969	2.7
83.08618	28.0
83.34685	1.4
85.06531	3.3
85.10175	4.1
88.07642	2.3
91.05452	21.0
92.44189	1.7
93.07041	29.3
95.04957	4.8
95.08603	86.9
97.06500	9.6
97.10168	20.0
99.08086	2.0
103.03976	2.1
105.07024	13.6
107.08582	27.1
109.06532	2.3
109.09447	3.2
109.10152	46.2
111.08052	5.4
111.11710	5.1
113.09665	2.4
119.08575	17.9
121.10130	25.4
123.04393	8.0
123.08046	1.7
123.11702	22.0
125.09640	1.9
130.63809	1.6
131.08528	1.7
133.10117	24.1
135.11678	16.5
137.09653	2.4
137.13235	10.3
141.09157	1.7
141.12741	3.5
147.11688	16.8
149.06027	2.9
149.13249	15.5
151.14810	7.4
155.14334	2.6
157.10065	1.8
159.04425	2.6
161.13266	15.1
163.14815	16.4
165.12758	2.7
165.16458	9.1
175.14836	11.4
177.16330	1.9
179.17902	4.8
189.16364	5.1
203.17961	3.1
219.10129	1.9
245.22644	55.1
245.25221	2.7
263.23700	58.7
264.24133	2.4
281.24600	2.1
310.93353	1.7
324.65610	2.1
337.27371	40.8
338.27383	2.3
355.15305	2.5
355.28751	9.4
356.35001	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48910	3.9
51.72425	3.6
55.05516	18.1
56.96558	4.4
57.07050	5.1
57.91537	4.0
67.05505	29.6
68.99783	5.3
69.07063	15.5
70.06588	9.3
72.08131	5.0
74.06068	13.3
79.05485	14.0
81.07059	45.4
83.08616	11.8
83.88263	3.4
88.07619	11.0
89.07971	4.6
91.05427	7.3
92.07118	6.2
93.07030	13.8
95.04977	8.0
95.08595	30.1
97.06506	4.1
97.10171	5.2
105.07016	14.5
106.08658	5.4
107.04913	5.6
107.08604	12.4
109.02857	4.3
109.10146	16.7
119.04929	6.7
119.08581	7.8
121.06531	8.9
121.10152	12.9
122.45403	3.4
123.04424	91.1
123.11729	7.0
131.04942	11.9
133.10123	5.4
135.08063	4.3
135.11652	6.5
145.06435	4.5
147.04411	10.7
147.11711	4.7
149.05949	25.6
153.05473	10.9
158.03644	4.0
159.04442	10.4
161.05998	18.9
161.13266	5.0
163.07555	13.3
189.09142	5.9
191.10661	9.0
193.04871	4.7
201.56548	4.1
219.10139	15.1
245.22618	15.3
246.49815	5.4
260.09509	4.1
263.23703	13.3
282.08826	14.5
285.11044	4.6
299.05612	8.5
337.10834	6.9
337.27222	10.8
337.32617	5.0
355.11618	12.8
355.15460	14.0
355.26385	5.6
355.33905	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93024	2.3
53.03934	3.2
55.05502	27.1
57.03432	5.0
57.07071	12.0
63.57306	2.2
67.05161	4.7
67.05499	64.2
69.07059	30.3
70.81363	8.4
71.04993	3.2
71.08627	4.7
73.48028	2.5
79.05479	19.1
81.07049	100.0
81.90618	2.9
83.08613	26.7
85.06541	5.3
85.10160	3.5
91.05449	15.7
93.07034	24.3
95.08602	82.1
97.06529	10.2
97.10172	18.7
99.08080	4.3
105.07021	11.1
107.08589	14.3
109.10149	38.4
111.08077	4.7
119.08549	11.6
121.10136	25.0
123.11698	26.5
125.13261	3.1
128.83229	2.6
133.10130	19.0
135.11697	13.8
135.12604	2.7
137.13242	10.3
141.12720	3.4
147.11674	10.8
149.13284	15.5
151.14824	6.0
154.97046	2.6
161.13245	10.8
163.14819	11.6
165.16397	7.4
175.14828	10.6
179.17924	4.5
189.16399	5.9
244.33580	2.6
245.22650	56.8
246.22902	2.9
263.23654	60.7
331.84543	2.8
337.27319	36.3
337.31235	4.1
355.28268	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05512	28.3
57.07068	13.7
67.05502	90.1
68.67631	5.3
69.07067	48.1
70.75323	14.6
70.75648	4.6
71.08598	5.0
79.05495	37.3
81.07053	100.0
83.08633	27.1
85.06532	9.5
91.05462	21.4
93.07043	28.2
95.08601	87.0
97.06494	13.8
97.10175	12.2
98.12065	5.5
105.07030	12.2
107.08584	15.2
109.10162	49.3
119.08572	13.6
119.67855	5.1
121.10136	29.3
123.11694	18.8
133.10121	21.3
135.11711	10.8
137.13199	6.5
147.11569	12.2
149.13239	12.5
151.14888	7.2
161.13275	12.1
163.14835	17.2
165.16321	11.1
175.14838	12.4
183.76936	5.9
189.16405	5.6
216.84694	5.0
234.69496	5.8
245.22678	63.1
263.23712	48.5
284.15057	5.1
337.27362	50.6
355.28387	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	355.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01854	5.0
55.05504	19.6
56.96552	2.9
57.03432	2.7
57.07076	9.2
65.03940	2.8
67.05501	38.5
68.05827	2.1
68.99778	6.7
69.03419	6.7
69.07063	31.7
71.04982	2.1
71.08612	2.6
79.05486	20.1
80.18634	1.8
81.03404	4.5
81.07050	100.0
82.07345	1.6
83.04984	5.6
83.08615	15.4
85.02885	4.7
85.06544	26.4
87.49366	1.7
91.05409	13.6
93.07037	41.9
95.04961	11.4
95.08600	82.8
97.02869	3.2
97.06530	9.6
97.10152	11.6
99.04450	2.1
99.08077	6.1
101.05997	2.6
103.05463	3.2
105.07030	26.1
107.04945	6.9
107.08590	47.1
109.02854	2.9
109.06510	11.4
109.10146	51.2
111.08082	3.9
111.11720	4.8
113.06010	2.1
115.05431	3.2
115.07537	2.1
117.06985	4.7
118.73464	1.4
119.04924	4.7
119.08572	20.1
121.02826	2.1
121.06471	8.4
121.10140	31.3
123.04420	91.6
123.08045	5.8
123.11702	23.2
124.04767	4.8
125.05980	3.0
125.09584	4.2
127.03890	2.3
127.07540	5.5
128.06223	3.0
129.07027	2.4
131.04907	7.5
131.08543	13.4
133.06496	3.9
133.10129	20.5
135.04381	5.8
135.08044	5.0
135.11684	27.4
137.02284	4.1
137.05963	11.8
137.09593	3.7
137.13245	12.3
139.03802	4.4
139.07504	2.3
139.11163	3.8
141.06941	2.1
141.09047	2.2
143.08557	4.9
144.05673	1.8
144.91315	1.7
145.06432	3.8
145.10101	13.6
147.04399	16.7
147.08017	4.9
147.11707	12.9
148.05177	1.6
149.05977	19.4
149.09604	11.0
149.13237	17.9
151.03903	2.7
151.07535	3.6
151.11168	5.5
151.14804	3.6
153.05446	4.8
153.06715	2.1
153.09097	2.4
155.10588	2.4
157.06480	1.6
157.10083	2.6
158.03600	2.9
159.04425	5.9
159.08041	5.6
159.11682	6.0
161.02301	2.5
161.06024	9.9
161.09558	4.1
161.13283	9.3
163.03914	2.3
163.07556	2.8
163.11186	6.3
163.14795	9.8
165.01807	2.6
165.05458	6.7
165.09117	3.1
165.12724	4.1
165.16432	2.4
167.03429	2.1
167.07059	3.0
167.10690	8.2
171.08038	2.7
171.11723	4.2
173.13278	5.4
175.07533	6.0
175.11176	4.7
175.14787	4.7
177.05481	3.9
177.09148	3.9
177.12724	5.3
177.16351	5.8
179.03409	2.2
179.10683	2.2
179.14365	2.1
179.17976	2.8
181.12224	6.3
183.02887	3.3
183.08090	2.0
183.13795	1.6
185.13281	4.6
187.07530	6.7
187.14844	4.7
189.09015	4.2
189.12764	2.8
189.16310	3.0
191.07033	5.1
191.10727	7.8
191.14325	4.7
191.17955	1.9
193.04939	2.6
193.08607	4.1
193.12267	5.9
195.07996	2.5
195.11671	1.9
195.13821	5.1
199.07545	2.5
199.14793	3.7
201.05461	4.1
201.09085	5.9
201.16394	3.8
203.07033	2.6
203.10632	2.9
203.17976	4.1
205.16064	2.8
205.19571	7.6
207.13766	3.5
209.15353	4.7
211.07481	1.7
211.13280	3.5
212.08319	2.1
213.05370	2.1
213.09143	2.8
215.10538	3.1
217.08632	1.7
217.12251	1.9
219.06551	7.0
219.10065	17.2
220.10483	1.8
221.04427	4.8
223.16956	2.9
223.20477	1.8
227.10672	2.6
229.08629	2.1
233.08049	3.0
233.11647	8.3
235.16942	2.6
237.18335	2.7
239.07155	1.7
241.04985	2.7
245.08170	3.6
245.19141	1.9
249.18579	1.9
251.20172	1.9
263.20044	6.7
265.08527	1.9
267.06476	2.6
281.08075	2.5
282.08887	5.5
283.06009	12.5
283.24216	6.6
284.06631	3.3
285.04260	2.4
285.07510	11.4
285.10501	2.2
295.06073	1.8
295.09573	3.9
297.11179	2.8
298.11188	1.7
299.05615	8.5
299.08936	1.9
299.12708	1.9
301.22003	2.7
301.25198	12.9
309.07724	2.3
309.11121	3.8
319.26300	59.3
320.26401	1.8
323.12650	4.1
327.12088	1.9
337.06949	5.6
337.10687	16.8
337.14325	4.1
337.27402	23.8
338.07266	2.2
338.11069	3.2
340.05643	4.3
355.08026	63.4
355.11685	32.8
355.15417	27.0
355.22186	2.2
355.28751	13.6
356.08307	8.3
356.12106	4.8
356.15939	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	355.1534
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03934	0.9
55.01854	1.3
55.05502	1.5
56.96541	1.0
57.03405	1.0
58.06584	1.4
62.06078	1.1
65.03930	1.2
65.28310	0.7
67.05510	3.7
68.99789	4.4
69.03413	1.3
69.07047	2.6
69.59749	6.1
70.00059	0.7
71.04986	0.9
73.04754	0.8
79.05484	3.1
81.03423	1.5
81.07053	10.0
83.04935	0.8
83.08614	1.1
85.02885	1.0
85.06528	1.2
91.05389	6.0
93.07019	4.9
95.04948	5.9
95.08611	4.7
97.02916	0.8
97.06525	1.6
98.20747	1.7
103.05461	3.3
105.07027	5.4
107.04949	3.9
107.08599	2.4
107.52924	0.8
109.02873	0.9
109.06499	1.7
109.10164	2.6
109.20155	0.8
111.11681	0.8
115.05449	1.8
117.07022	2.3
119.04960	1.2
119.08579	2.2
121.06493	6.7
121.10120	2.1
123.04419	100.0
123.11684	1.1
124.05311	1.4
126.82451	0.7
128.06154	1.2
129.06990	1.8
131.04919	13.0
131.08562	2.7
133.06468	5.2
133.10115	2.5
135.04404	1.7
135.08055	0.9
135.11650	1.4
137.05992	3.1
139.03908	2.1
141.06966	1.1
143.08533	1.0
145.06502	2.7
145.10115	0.9
147.04396	7.5
147.08037	1.9
147.11681	1.3
148.05167	3.2
149.05974	22.5
149.09540	0.9
151.07578	0.9
153.05486	1.3
155.08568	1.1
158.03609	10.9
159.04413	19.4
159.08025	5.0
160.05203	3.6
161.05975	27.0
161.09636	0.8
163.03976	1.2
163.07518	5.0
163.11227	0.9
165.05527	1.5
171.04407	1.1
171.07951	1.3
172.05194	1.8
173.06087	0.8
173.09607	1.0
175.07545	5.3
175.11252	1.1
176.08258	1.2
177.05417	5.1
177.09090	3.8
183.07979	1.0
187.07556	4.0
189.05495	0.9
189.09114	1.5
191.07066	1.8
191.10614	4.3
193.08601	0.8
193.12318	1.1
201.09082	4.6
203.10690	2.1
205.12199	1.7
213.09102	2.1
214.10002	1.3
215.10623	2.4
217.12289	1.1
219.06694	1.0
219.10135	14.2
220.92696	0.9
227.10670	1.3
233.11658	4.1
245.11771	1.7
253.08398	0.8
270.36627	0.8
282.08856	18.2
283.06058	1.8
283.09052	1.6
285.08008	0.7
285.11099	3.7
295.09717	1.2
297.11218	9.6
299.05539	1.9
301.09445	1.2
313.10651	1.5
319.26169	1.0
327.15863	4.2
337.10599	3.0
337.14371	4.6
355.07755	2.5
355.11588	8.9
355.15421	18.9
355.26556	2.2
356.15411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
51.02375	0.4
53.03931	0.7
55.01862	1.1
55.05498	1.3
57.07076	0.6
59.04996	1.0
64.32504	0.4
65.03923	0.6
65.87052	0.4
67.05502	5.4
68.05851	0.4
68.99783	5.4
69.03394	0.4
69.07048	2.5
69.36047	0.9
69.36453	3.8
71.04982	0.5
79.05489	2.7
81.03419	0.9
81.07048	11.3
83.08601	1.4
85.02911	0.4
85.06524	1.7
91.05458	7.3
93.07026	4.2
95.04960	6.6
95.08604	5.8
97.06519	0.4
97.10143	0.8
98.21509	0.9
99.08112	0.4
103.05447	3.4
105.03409	0.5
105.07018	3.2
107.04934	2.8
107.08565	2.6
109.02848	0.6
109.06496	1.2
109.10125	3.2
111.08056	0.5
113.23604	0.4
115.05422	1.2
116.06219	1.0
117.07011	1.0
119.04939	1.5
119.08559	2.1
121.05645	0.6
121.06499	6.8
121.10094	2.5
123.04417	100.0
123.11708	2.0
124.04734	1.3
125.05986	0.5
127.03867	0.5
127.07488	0.5
127.11208	0.4
127.14999	0.4
128.06204	1.4
129.07010	2.1
130.07774	0.6
131.04919	1.5
131.08549	10.8
132.08905	0.4
133.06468	1.3
133.10100	1.4
135.04410	1.4
135.08034	0.7
135.11710	1.9
137.02318	0.5
137.05986	1.7
137.13235	1.1
138.53008	0.5
139.03882	0.9
141.06972	1.7
142.07756	1.4
143.08571	1.8
144.05717	2.3
145.06477	1.8
145.10107	1.6
147.04387	6.6
147.08060	0.4
147.11668	1.3
149.05968	33.4
149.13263	1.0
150.06473	0.7
151.03883	1.1
151.07527	1.0
151.11147	0.4
153.05437	2.2
155.08563	0.9
157.06497	0.8
157.10106	0.9
158.07277	1.6
159.04420	1.0
159.08044	10.4
159.11681	0.8
161.02348	0.7
161.06010	2.3
161.09572	0.5
161.13156	0.5
163.03914	1.1
163.07518	0.8
165.01859	0.7
165.05473	0.8
167.07036	0.9
167.08545	0.8
169.06502	1.0
171.08040	1.4
171.11717	0.6
173.05949	1.3
173.09622	2.5
174.06775	1.1
175.03888	0.5
175.07567	1.2
175.11156	0.6
175.14854	0.7
177.05487	2.2
177.09038	0.6
177.12848	0.8
177.16339	0.5
178.06036	0.4
179.03368	0.6
181.12357	0.5
183.02972	0.7
183.08029	0.9
184.03258	0.5
184.54298	0.5
185.05875	0.5
185.09628	0.8
186.06706	0.9
187.03891	0.9
187.07530	11.4
188.08006	0.5
189.05475	1.3
189.09081	3.6
191.07065	0.6
191.10707	2.5
193.06497	0.4
193.08580	0.9
195.08058	1.2
195.13692	0.4
199.07545	1.2
201.05473	0.7
201.09079	5.1
203.03290	0.4
203.10674	1.0
204.07845	1.7
205.08629	0.8
211.07561	0.6
213.09074	0.7
215.10738	0.6
217.08566	1.0
219.06590	1.3
219.10146	45.7
220.06812	1.0
220.10562	1.6
221.04419	1.7
221.07047	0.9
221.11571	0.9
227.07166	0.4
229.06441	0.5
229.08531	2.6
233.08165	0.5
233.11707	4.4
237.05652	0.6
245.11749	1.3
249.09174	0.5
255.06743	0.4
265.08621	0.5
267.06470	0.5
277.08505	0.5
281.08151	0.5
283.05859	1.8
283.09079	0.4
299.05444	0.9
299.08990	0.9
301.05975	0.9
305.07370	0.5
309.07541	1.3
310.11850	0.7
311.05588	1.0
312.06284	0.5
312.70029	0.5
313.06467	0.5
313.10684	0.8
316.62997	0.4
319.26154	2.6
323.05487	0.7
323.12756	1.1
327.08078	0.5
337.06812	1.0
337.10721	2.8
337.14304	0.8
337.27301	1.3
340.05737	0.5
355.07852	14.4
355.10980	21.6
355.15448	9.1
355.26108	0.8
356.08472	1.9
356.15591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
55.01865	1.3
58.66234	0.5
65.03930	1.0
67.05500	6.1
68.99780	4.2
69.03429	1.4
69.07060	1.6
71.61775	1.0
79.05486	2.1
81.03411	0.6
81.07047	4.7
83.08591	0.9
85.02902	0.9
85.06560	0.7
91.05385	3.5
93.07024	2.2
95.04969	6.6
95.08598	1.1
97.06501	1.4
100.11242	0.6
103.05466	0.6
105.07018	3.5
107.04967	3.4
107.08583	0.9
109.06511	2.3
109.10148	1.1
115.05405	1.0
117.07043	1.3
119.04927	6.5
119.08567	2.5
121.06500	2.4
121.10116	1.7
123.04417	100.0
124.04750	2.1
125.05989	3.8
128.06229	1.8
129.06961	1.0
131.04933	1.4
131.08533	2.5
133.06482	1.7
133.10106	1.1
135.04407	2.4
135.08032	0.7
137.05943	1.4
138.03087	3.0
139.03819	0.9
143.08542	5.6
145.06490	2.1
146.07227	0.9
147.04405	9.6
147.07993	1.2
149.05969	6.5
151.03938	1.1
153.05453	56.3
154.05779	1.0
157.06444	0.6
157.10205	0.5
159.04376	2.1
159.08018	2.0
161.05916	3.2
161.09595	3.0
163.03880	4.4
163.07489	1.6
165.05458	1.5
169.06323	0.7
171.08023	11.9
173.06003	0.9
173.09657	0.9
174.06726	4.2
175.03926	1.1
175.07581	1.4
177.01854	1.3
177.05460	2.1
177.09140	0.7
179.03452	0.9
179.07016	2.6
181.01291	0.9
182.89839	0.6
183.02986	0.9
187.03949	1.6
187.07504	3.1
188.07863	0.8
189.05510	2.0
189.09091	40.2
190.09526	1.0
191.03354	1.9
191.06999	1.7
191.10632	1.2
199.07573	0.6
201.05475	1.0
201.09160	1.1
203.03421	1.5
203.07022	0.7
203.10681	3.0
204.03894	0.8
205.08603	2.2
215.10715	2.3
217.08574	1.4
219.06558	5.6
219.10112	8.2
221.11714	3.5
227.07068	1.0
233.08104	9.9
233.11772	1.3
245.08058	8.1
245.11880	0.6
268.97839	0.7
281.11835	0.6
282.08850	0.8
283.05930	0.8
293.04578	0.7
295.05914	1.0
299.05475	2.5
299.08929	0.9
307.06094	0.8
309.11295	1.4
319.09683	2.1
321.07510	0.9
322.08423	1.9
327.15680	1.0
337.10678	53.1
338.11023	4.1
340.12564	2.6
355.11694	56.2
355.15491	17.8
355.26358	1.4
356.11920	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	355.1534
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
50.50518	0.3
53.03934	0.5
53.23832	0.4
55.01859	0.9
55.05493	1.5
56.96537	0.4
57.03432	0.5
57.07056	1.0
59.04978	0.4
65.03931	0.8
67.05161	0.6
67.05492	5.9
68.69577	0.4
68.99775	3.5
69.03416	1.3
69.07059	5.7
70.09534	2.0
71.04950	0.6
71.08627	0.5
71.10668	0.4
77.03905	0.5
79.01825	1.4
79.05480	3.3
81.03403	1.1
81.06575	0.5
81.07046	9.4
82.04179	0.9
83.04960	1.1
83.08595	1.5
85.02885	3.2
85.06536	3.7
91.05399	2.8
93.03393	0.7
93.07034	4.4
95.04936	2.6
95.08596	6.1
97.02900	0.5
97.06522	3.9
97.10157	1.0
99.08076	0.7
103.05450	0.5
105.07008	3.5
107.04942	3.2
107.08595	3.9
109.06509	1.3
109.10131	4.7
110.03625	1.2
111.04417	0.8
117.07000	0.6
119.04925	0.8
119.08562	1.6
121.02889	0.6
121.06478	1.5
121.10143	2.2
123.04411	30.8
123.08006	0.8
123.11699	2.3
124.04720	0.7
125.05982	9.8
125.09617	0.4
128.06183	0.6
129.06989	0.8
131.04919	1.0
131.08487	0.8
133.02814	0.6
133.06471	1.0
133.10120	1.4
135.04414	3.8
135.08063	0.5
135.11659	2.1
136.05121	0.4
137.05959	2.2
137.09590	0.6
137.13239	1.1
138.03098	7.0
141.06998	0.8
143.08557	0.8
145.06540	0.6
145.10114	2.0
147.04373	3.2
147.11661	1.6
149.02364	0.6
149.05972	7.6
149.09567	0.4
149.13226	1.6
151.03900	0.8
151.07533	0.7
153.05444	100.0
153.74510	0.4
154.05806	2.4
157.10129	0.6
159.04337	0.9
159.08092	0.5
159.11638	0.7
161.05956	2.7
161.09564	0.6
161.13298	0.6
162.03078	1.2
163.03876	1.8
163.07571	0.5
163.11137	0.9
163.14792	0.8
165.12775	0.5
165.16399	0.4
165.60101	0.4
167.06999	0.7
169.06470	0.9
171.08087	0.8
173.05974	1.0
173.09628	3.1
175.03902	0.9
175.07527	0.8
175.14742	0.4
177.01804	0.5
177.05450	11.2
179.03381	0.5
181.06482	0.6
181.98874	0.4
183.07999	0.6
187.03871	1.1
187.07600	0.8
189.05403	0.6
189.09079	0.9
191.03394	0.5
191.10643	34.0
192.10986	1.2
193.08508	0.7
197.05919	0.5
199.07524	0.8
201.05508	0.8
201.09077	0.5
203.03333	0.5
203.10561	0.6
205.04903	0.6
205.08481	0.5
205.19484	0.5
211.07516	0.9
213.05481	0.4
215.06961	0.7
215.10674	1.5
216.11406	1.0
219.06451	1.2
219.10216	1.0
229.14482	0.5
233.08102	3.2
239.06958	1.4
245.07997	2.8
255.06401	0.8
267.06467	2.1
267.13818	0.7
269.07999	0.5
271.05920	0.6
271.09579	0.5
275.05487	0.6
281.11908	0.5
283.05994	3.4
284.06754	0.6
285.07452	0.6
286.08313	1.8
293.08118	0.4
294.05249	0.5
295.05969	1.2
295.09418	0.6
299.05469	7.4
299.09058	3.7
300.06042	0.6
300.09161	0.5
307.06094	0.8
309.07556	0.8
313.06821	0.6
319.09576	1.7
319.26285	3.0
321.07379	0.7
322.08279	0.6
323.12717	1.1
337.07190	1.3
337.10651	26.5
337.27219	1.3
338.10977	1.6
355.08047	1.3
355.11520	15.0
355.15436	10.9
355.28513	0.6
356.11996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03938	1.0
55.01857	1.4
55.05496	1.9
57.07063	1.0
65.03925	0.9
67.05492	4.2
67.14017	0.5
67.31099	0.5
68.99792	4.6
69.03413	0.8
69.07040	2.5
69.07370	0.7
69.36725	3.2
69.37150	2.6
79.05491	3.3
81.07051	10.4
83.04970	1.0
83.08604	0.9
85.02901	0.7
85.06534	2.5
91.05441	4.2
93.07046	4.0
95.04965	5.5
95.08603	4.7
97.02888	0.7
97.06505	0.7
97.10134	0.7
103.05441	3.5
105.07027	6.0
107.04958	2.9
107.08575	2.1
109.06484	0.9
109.10145	4.0
115.05448	1.5
116.06168	0.5
117.07012	1.2
119.04916	1.1
119.08607	2.7
121.02874	0.7
121.06498	7.4
121.10130	1.8
123.04417	100.0
123.11725	1.7
124.05175	2.3
125.09642	0.5
127.03916	0.9
129.07050	0.7
131.03999	1.1
131.04921	13.5
131.08557	2.1
133.06479	5.8
133.10123	1.7
134.03683	0.7
135.04413	3.3
135.08034	0.7
135.11685	1.7
136.05200	1.4
137.05980	2.8
137.13235	1.5
139.03864	0.6
141.07008	1.1
143.08551	1.0
144.05684	0.8
145.06461	2.2
145.10083	1.2
147.04382	6.2
147.08063	2.0
147.11641	1.3
148.05191	2.7
149.05969	23.7
149.09656	0.9
149.13290	1.2
149.98203	0.6
150.06401	0.9
151.03860	1.6
151.07536	1.1
153.05466	1.1
153.64928	0.6
155.08594	0.7
158.03606	9.0
158.07312	0.8
159.04401	20.6
159.08044	3.8
159.11615	0.7
159.95988	0.5
160.05156	3.5
161.05963	26.4
161.09630	1.1
161.13321	0.6
162.06506	0.6
163.03886	1.5
163.07530	3.7
163.11143	1.0
165.06935	0.7
165.09117	0.6
167.03326	0.6
167.07086	0.8
171.04489	0.6
171.08020	1.2
171.11659	0.7
172.05211	2.1
173.05939	0.9
173.09543	1.3
174.06758	0.8
175.07535	4.9
175.14766	0.8
176.08267	1.1
177.05478	3.9
177.09097	4.0
179.03380	0.9
179.06895	0.7
185.13394	0.6
187.03867	0.7
187.07549	4.2
189.09122	1.6
191.07050	2.1
191.10670	5.3
193.08603	1.0
199.07532	1.2
201.09047	4.5
203.10693	1.9
205.12228	0.8
213.09181	1.2
214.09731	0.7
215.10686	2.4
219.06776	0.8
219.10159	15.9
227.10654	1.4
229.08670	1.7
231.09932	0.6
233.11601	3.0
245.11743	2.1
279.06540	0.8
282.08841	17.5
283.09528	1.8
285.11261	1.9
295.09650	1.4
297.11179	8.5
305.08185	0.7
313.10696	1.5
319.26334	2.3
323.09360	0.7
323.13040	0.9
327.12183	1.0
327.15704	3.5
337.07129	0.9
337.10587	6.4
337.14374	4.9
337.27356	2.0
338.14645	0.7
355.08017	1.7
355.11554	9.3
355.15445	19.9
356.15442	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03950	0.9
53.42727	0.7
53.89168	0.7
55.01868	1.2
55.05495	1.8
56.96550	1.8
67.05493	4.7
68.99785	5.1
69.03410	0.9
69.07052	3.1
71.04973	1.1
71.62259	0.9
71.62622	0.8
79.05476	2.9
79.88677	0.7
81.03381	0.9
81.07044	7.5
83.05006	1.1
83.08613	1.3
85.02873	0.9
91.05479	3.2
93.07042	4.4
95.04955	7.0
95.08603	3.5
97.02877	1.1
97.06539	0.8
103.05443	1.9
105.07014	6.9
107.04991	3.8
107.08584	3.2
109.06489	1.4
109.10152	2.3
115.00665	0.7
117.07015	1.9
119.04959	1.0
119.08577	3.0
121.02871	1.0
121.06513	6.3
121.10108	1.9
123.04423	100.0
123.11694	1.6
124.05276	1.3
127.03851	0.7
131.04924	13.3
131.08559	2.6
133.06468	4.7
133.10103	2.9
135.04375	3.3
135.08060	1.0
135.11647	1.6
136.05313	0.9
137.05978	2.9
137.13235	1.3
139.03854	0.8
143.08545	1.1
144.05664	1.1
145.06471	2.3
145.10141	1.8
147.04399	7.7
147.08026	1.8
147.11656	1.3
148.05101	1.6
149.05974	23.1
149.09561	1.0
149.13234	1.9
151.03893	1.1
151.07597	1.3
153.05467	1.5
157.10242	0.9
158.03625	9.0
159.04420	17.3
159.08032	3.7
160.05186	4.0
161.05977	25.1
161.09642	1.5
162.06364	1.0
163.03906	1.4
163.07536	4.7
171.04445	1.1
171.08025	0.8
172.05225	1.8
173.05959	1.3
173.09605	2.1
175.07561	4.8
176.08154	1.1
177.05505	5.4
177.09096	3.3
185.05943	1.1
187.07576	3.6
189.05412	1.3
189.09077	2.1
191.06992	1.7
191.10666	4.0
193.08649	1.2
199.07576	1.1
201.09129	4.8
203.07069	1.8
203.10689	1.9
205.08548	1.7
205.12164	1.0
214.09944	0.9
215.10716	2.8
217.12286	1.3
219.06581	1.5
219.10135	13.3
227.10628	1.3
229.08736	1.2
233.11703	2.4
245.07971	1.0
245.11748	1.7
255.09052	1.0
282.08871	17.1
283.05981	2.1
283.09180	2.1
285.11243	4.4
295.09644	1.6
297.11182	9.6
299.05472	3.1
301.09561	1.3
313.10623	2.0
319.26645	1.0
325.24100	1.0
327.15845	4.2
337.10574	4.1
337.14343	6.1
337.24805	0.9
355.07861	3.3
355.11539	10.2
355.15414	20.2
355.22232	1.6
355.26294	2.3
355.30081	1.1
356.11539	1.0
356.15442	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
51.21081	0.3
53.03950	0.6
55.01865	1.5
55.05500	0.9
65.03921	0.5
66.07231	0.4
67.05502	2.8
68.99783	9.6
69.03422	0.9
69.07059	2.1
70.79436	0.4
70.79768	0.8
79.05492	2.9
81.03387	0.5
81.07050	12.7
83.04929	0.5
83.08614	0.7
85.02890	0.8
85.06533	0.9
91.05466	9.0
93.07025	3.8
94.46180	0.3
95.04960	5.4
95.08591	2.0
97.02863	0.4
97.06505	0.6
100.11245	1.5
103.05452	4.3
105.03340	0.6
105.07020	4.6
107.04945	3.4
107.08587	1.2
108.17045	0.4
109.02811	0.6
109.06495	0.7
109.10136	1.2
115.05452	1.9
116.06223	0.9
117.07010	2.4
119.04940	1.3
119.08572	1.3
121.06492	13.9
121.10126	0.8
123.04415	100.0
123.11671	0.6
124.04758	1.1
125.06023	0.4
127.03085	1.2
127.03889	0.7
128.06190	1.2
129.02814	1.4
129.06990	1.9
130.07774	1.3
131.04933	2.5
131.08559	5.6
133.06496	1.6
133.10106	0.8
135.04398	0.7
135.08054	0.6
137.05981	1.6
137.13290	0.4
139.03853	0.5
141.07011	2.0
142.07768	0.7
143.08548	1.2
144.05692	1.5
145.06485	2.8
145.10101	2.2
147.04396	2.0
147.08028	1.1
149.05965	64.0
149.13263	0.4
150.06335	1.1
151.07571	0.7
152.06186	0.4
153.05464	1.3
155.08536	1.2
157.10135	0.7
158.07219	2.8
159.04378	1.3
159.08040	7.7
159.11703	0.4
161.05952	1.4
162.03130	0.6
163.03899	1.2
163.07527	14.5
163.11174	0.7
165.00473	0.6
165.01765	0.5
165.05463	1.6
165.09119	0.4
167.08537	0.6
169.06468	1.5
170.07205	0.6
171.08038	1.1
172.08755	0.5
173.05968	1.0
173.09587	6.0
174.06743	0.6
175.07516	4.6
176.04625	0.4
176.08257	1.0
177.05449	2.0
177.09085	1.1
183.08006	0.8
184.08774	0.5
185.05942	0.7
186.06792	1.1
187.07529	8.0
187.11195	0.5
188.08029	0.5
189.05495	0.8
189.09044	2.1
191.10667	5.6
192.99953	6.1
193.04895	0.5
193.08591	0.8
195.08104	0.9
200.08260	0.6
201.05435	0.9
201.09087	9.5
202.09557	0.3
203.07077	0.5
203.10567	2.5
204.07799	1.8
205.08467	0.5
205.12251	0.6
213.05530	0.4
213.09058	1.0
215.07054	0.4
215.10648	3.2
216.12840	0.4
219.10143	45.9
220.10527	1.4
227.10684	1.5
233.11714	8.5
239.10866	0.4
245.11668	2.3
267.10071	0.5
283.06058	0.7
285.11197	7.4
286.11621	0.6
299.05466	3.7
309.07700	0.4
309.11255	0.4
323.12814	1.4
327.15817	0.9
337.10562	0.9
337.14285	1.3
355.11536	4.0
355.15356	42.3
356.15698	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	355.1535
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03933	1.1
55.01857	1.9
55.05509	1.4
56.33840	0.7
56.91303	0.7
62.06056	1.2
65.03926	0.8
67.05502	4.5
68.99781	9.3
69.03417	1.1
69.07056	5.0
69.94427	2.6
69.94843	1.7
71.04992	0.9
77.03890	0.8
79.05480	2.7
81.03386	0.8
81.07047	13.7
83.04962	1.5
83.08601	1.5
84.97061	0.7
91.05418	6.8
93.07030	7.5
95.04962	5.0
95.08577	3.3
96.24987	0.8
97.06528	1.7
98.21397	1.3
99.04481	0.8
103.05467	5.3
105.07008	4.1
107.04924	4.4
107.08577	2.0
109.06488	1.0
109.10138	2.5
115.05430	1.4
116.06226	1.3
116.98621	0.7
117.07028	2.4
119.04906	1.1
119.08577	2.5
121.06487	16.3
121.10133	2.4
123.04415	100.0
123.11700	0.8
124.04754	2.3
127.03877	0.7
128.06244	1.2
129.06984	2.8
130.07806	1.1
131.04884	3.4
131.08549	8.1
133.06453	1.8
133.10112	1.0
135.04416	1.1
135.11710	0.7
137.05939	2.6
141.06973	2.4
142.07802	1.1
143.08534	2.5
144.05688	1.5
145.06454	2.7
145.10132	3.4
147.04375	3.4
147.08055	1.2
149.05966	73.6
150.06299	1.0
151.07552	0.9
153.05444	1.4
155.08545	2.1
155.28790	0.8
157.06482	1.2
157.10135	1.2
158.07217	3.5
159.04428	1.7
159.08047	9.2
159.11684	0.9
161.05972	2.5
161.09549	0.8
161.13185	1.0
162.03128	0.8
163.03928	1.3
163.07526	3.4
163.11211	0.8
165.05478	2.7
165.09129	0.8
167.08528	1.6
169.06464	1.1
171.08125	1.3
172.08865	1.5
173.05943	1.9
173.09605	5.7
174.06725	0.7
175.07564	1.5
176.08305	1.1
177.05441	2.8
184.08803	0.6
186.06685	1.0
187.07533	10.5
189.05560	1.7
189.09045	1.7
191.07048	0.9
191.10666	3.1
193.08647	1.6
195.08054	0.9
201.09039	6.1
203.07002	2.3
203.10680	2.6
204.07852	2.2
205.08577	0.8
213.09036	2.1
215.10629	2.4
219.10141	52.5
220.10464	1.6
233.11691	10.5
245.11810	2.2
259.36841	0.7
283.05975	10.0
284.06558	1.2
285.00760	0.7
285.11212	2.0
295.05975	2.9
299.05624	1.1
309.11478	0.9
323.12698	2.0
337.10791	5.4
355.08026	1.5
355.11618	11.7
355.15421	46.1
356.15775	1.9
361.20557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03942	0.5
55.01863	1.4
55.05505	1.8
65.03899	0.6
67.05502	4.9
68.99785	5.2
69.03427	1.3
69.07061	2.5
69.72390	1.1
69.72809	2.8
79.05491	2.9
81.03422	0.7
81.07053	9.5
85.06541	2.4
91.05450	4.9
93.07037	4.5
95.04965	4.6
95.08592	5.0
97.10168	0.6
103.05471	3.6
105.07033	6.7
107.04968	2.8
107.08578	2.4
109.02863	0.7
109.06495	0.9
109.10159	2.8
111.08103	1.1
115.05466	0.8
116.06183	0.5
117.07063	1.2
119.04976	1.0
119.08569	2.2
121.06470	6.3
121.10152	1.5
123.04424	100.0
123.11719	1.6
124.05206	1.9
127.03903	0.9
128.06180	0.6
129.06993	1.2
131.04924	17.0
131.08551	2.5
133.06477	5.1
133.10121	1.7
135.04425	2.6
135.08083	1.1
135.11720	1.3
136.05179	1.7
137.05959	1.8
137.13260	1.2
141.06960	0.8
142.07707	0.8
143.08600	1.2
144.05675	0.6
145.06494	1.9
145.10146	0.8
147.04404	6.2
147.11703	1.6
148.05183	2.6
149.05971	24.6
149.13185	1.4
151.03902	3.1
151.11192	1.0
153.05486	1.8
155.08569	1.0
157.10139	0.7
158.03635	10.4
158.07280	0.7
159.04420	22.3
159.08035	5.3
160.05217	4.5
161.05975	28.7
161.09671	1.1
162.06458	0.9
163.03969	1.0
163.07530	3.5
165.05554	0.7
167.07011	1.1
171.04398	1.2
171.08020	1.5
172.05214	2.5
173.06032	1.1
173.09601	1.9
174.06766	0.8
175.07547	4.9
176.08237	1.2
177.05440	3.2
177.09048	4.1
179.03432	1.5
181.12238	0.7
183.08009	0.8
186.06795	0.8
187.03920	1.6
187.07578	4.5
189.09155	2.9
191.07048	2.1
191.10661	4.6
193.08502	0.7
193.12299	0.9
201.09065	5.7
203.07056	0.8
203.10675	2.0
205.12227	1.2
213.09116	1.2
214.09962	0.7
215.10667	3.1
219.06749	1.3
219.10153	14.2
227.10680	1.8
229.08618	3.4
233.11682	2.9
245.11751	1.7
282.08868	21.6
283.09244	1.1
285.11252	1.1
295.06299	0.6
295.09674	1.5
297.11200	10.3
313.07431	1.0
313.10736	2.2
313.14001	0.6
319.23029	0.8
319.26187	3.0
327.12335	1.2
327.15936	4.7
337.07065	0.9
337.10681	4.1
337.14413	5.1
337.27478	1.8
355.08023	1.8
355.11688	13.0
355.15503	17.9
356.15872	0.9
373.23511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
53.03937	0.3
65.03938	0.7
67.05482	1.1
68.99786	2.8
69.03419	0.7
69.07068	4.0
79.05469	1.0
81.07029	1.6
82.04208	0.7
85.02900	3.2
91.05442	0.3
93.03403	0.9
93.07031	0.8
95.04944	0.8
95.08588	0.4
97.06518	3.6
98.20703	0.9
105.07011	0.9
107.04933	1.5
110.03649	1.6
119.08596	0.4
121.06516	0.6
123.04426	5.2
123.52975	0.3
125.05981	8.7
128.18816	0.4
133.06493	0.7
135.04402	2.5
137.06003	0.7
138.03096	6.1
145.10114	0.8
147.04405	1.1
149.05972	6.3
149.09773	0.4
153.05455	100.0
154.05782	1.9
159.04367	0.4
161.05965	1.4
162.03120	1.0
173.09621	2.9
177.04283	0.3
177.05463	11.0
191.10661	32.8
192.11032	0.9
192.82378	0.3
197.05922	0.5
211.07526	0.4
215.10634	1.4
216.11444	1.4
219.10016	0.5
221.05893	0.4
239.07057	0.6
267.06403	1.7
269.08105	0.4
285.07452	0.5
286.08368	2.3
287.09070	0.5
299.05664	0.6
299.09091	3.1
300.09293	0.4
309.39468	0.4
323.12442	0.6
337.10693	0.5
355.08115	0.6
355.11835	0.7
355.15359	10.7
356.15686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03931	0.6
55.01855	1.3
55.05487	0.8
57.03432	0.5
57.07067	0.9
59.42389	0.4
65.03923	1.0
67.05225	0.4
67.05505	5.2
68.05831	0.9
68.99760	1.8
69.07065	41.3
70.07383	0.5
70.91380	0.4
73.44903	0.4
74.78001	0.4
79.05495	2.1
81.07053	3.3
82.07383	0.7
83.04970	0.4
84.44130	0.4
91.05476	1.9
92.05816	0.5
93.07023	2.1
95.04958	2.7
95.08588	2.9
96.08913	0.9
97.06506	0.5
98.20723	1.3
105.07013	1.8
107.04962	4.6
107.08572	1.1
109.10145	1.7
110.03617	0.5
111.04435	4.4
112.92306	0.4
119.04945	1.1
119.08576	1.6
121.06472	1.8
121.10106	1.1
123.04419	30.2
123.11668	0.6
125.05981	1.3
128.06190	0.5
131.04918	1.5
131.08571	1.0
133.06465	0.7
133.10104	0.9
135.04404	9.1
135.11644	0.7
136.05168	0.9
136.12056	0.5
136.14146	0.4
137.02225	0.5
137.05974	4.2
139.03891	13.3
142.07854	0.5
143.08522	0.6
145.10100	1.1
147.04393	2.2
147.11691	1.2
149.02287	0.4
149.05975	7.1
149.13281	0.6
151.03958	0.5
151.26872	0.5
153.05432	1.1
153.06807	0.4
158.03568	0.5
159.04411	1.4
159.07988	0.8
160.05235	0.5
161.05992	3.3
163.03903	5.9
163.07536	0.9
165.05501	0.6
169.05058	0.6
175.07576	0.6
176.04678	0.9
177.05470	3.1
177.09053	0.8
182.07295	0.5
183.08073	0.5
187.07408	0.5
191.10683	0.9
193.12212	0.5
195.08064	0.5
201.09056	0.6
213.09109	1.1
217.12230	1.5
219.10153	13.3
221.11673	0.6
223.07559	0.5
225.05399	0.7
228.61458	0.5
229.08591	0.6
231.10242	0.9
233.11658	0.8
241.08481	0.6
245.11708	18.9
246.12222	1.6
253.04994	2.7
253.08823	0.7
257.08093	1.2
258.08813	1.0
259.09692	2.0
262.22308	0.8
263.22757	1.6
267.06549	2.4
268.07245	3.1
269.07953	2.7
271.09711	1.6
279.06577	3.0
281.08099	2.8
282.08734	1.2
283.05878	0.6
283.09497	0.4
286.08356	2.0
287.09018	1.1
291.10132	0.5
297.11169	1.0
298.93979	0.5
299.05640	0.8
299.09070	1.1
305.11734	0.6
306.45877	0.4
307.09583	1.1
337.14331	17.1
337.27338	0.7
338.14465	0.8
355.15375	100.0
355.26553	2.6
356.15704	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	355.1535
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
51.02392	0.5
53.03940	0.5
55.01872	1.0
55.05511	0.4
62.77353	0.4
64.06081	0.4
65.03939	0.5
67.05497	1.6
68.99780	3.5
69.07072	0.7
78.00080	0.4
79.05496	2.6
81.07056	4.8
83.04957	0.7
83.08607	0.5
85.02904	0.6
91.05431	4.4
93.07049	2.0
95.04952	4.5
95.08588	1.1
98.20669	0.6
103.05444	2.2
105.03416	0.6
105.07027	6.7
107.04932	1.1
107.08594	1.0
109.06507	0.5
112.47424	0.4
115.05452	1.7
117.07024	2.7
119.04956	0.7
119.08629	0.4
121.06495	7.7
121.10144	0.7
123.04418	100.0
123.11664	0.4
124.04747	1.9
128.06134	0.5
129.07002	0.6
131.04915	1.1
131.08545	1.0
133.06476	3.2
133.10068	0.4
135.04422	0.5
135.08026	1.0
135.11676	0.4
136.05118	0.4
137.05951	1.6
139.03941	0.4
141.07053	0.7
143.08513	0.5
145.06476	4.4
145.10141	0.5
147.04391	1.4
147.08066	3.2
147.11678	0.5
148.05188	0.8
149.05969	31.0
150.06316	0.7
151.07513	2.2
158.07236	1.0
159.04433	0.5
159.08043	1.9
161.05960	1.6
162.06693	0.5
163.07532	44.1
164.07867	1.9
171.07933	0.5
173.09615	3.7
175.07523	11.0
175.09012	0.7
176.08197	1.5
177.05489	0.6
177.09079	1.7
183.08040	0.6
184.08832	0.5
187.07564	0.6
187.11108	0.4
189.09097	1.4
191.10655	8.4
195.08083	1.1
199.11095	0.6
200.08388	0.5
201.09091	10.7
202.09334	0.5
203.10754	0.9
204.07857	0.5
205.12207	0.8
215.10695	3.2
217.12160	0.8
219.10150	20.5
220.10522	0.8
225.09129	0.5
227.10594	1.8
233.11694	5.7
239.10580	0.4
245.11758	4.3
267.10208	1.2
285.11188	25.5
286.11533	1.0
327.15826	1.7
337.10782	0.5
337.14297	1.9
340.05704	0.8
355.07611	0.8
355.11182	2.4
355.15323	21.5
356.15494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1537
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03922	1.1
55.01860	1.6
55.05269	0.6
55.05505	3.8
56.96563	0.7
57.07058	1.3
59.04983	0.5
59.43123	0.5
65.03918	0.9
67.05495	6.3
68.99780	4.7
69.03422	2.4
69.07056	3.5
71.04995	1.0
71.62478	0.6
72.08132	1.1
79.05484	4.1
81.03395	2.0
81.07050	14.9
83.04972	1.1
83.08610	2.3
85.02887	1.4
85.06528	4.3
91.05419	6.0
93.07047	7.7
95.04961	6.6
95.08604	7.2
97.02891	1.0
97.06540	1.5
99.04448	0.7
103.05434	2.7
105.07025	7.3
107.04953	2.9
107.08599	5.1
109.02802	0.9
109.06509	0.9
109.10120	4.5
111.04400	0.7
111.08051	0.8
111.88901	0.5
115.05430	1.6
117.07001	1.4
119.04960	1.3
119.08550	3.2
120.05769	0.7
121.06499	9.9
121.10121	3.4
123.04419	100.0
123.11691	2.3
124.04753	1.1
128.06198	1.0
129.06972	1.3
131.04924	4.6
131.08575	3.8
133.02827	0.6
133.06471	3.2
133.10152	2.6
135.04410	2.2
135.08026	1.7
135.11682	2.4
137.05978	4.2
137.13249	1.1
139.11172	0.6
141.06960	1.1
143.08549	1.0
145.06485	1.8
145.10097	1.3
147.04402	3.7
147.08044	1.6
147.10620	0.6
147.11708	2.1
148.05202	1.3
149.05969	29.2
149.09575	1.2
149.13185	1.8
150.06648	1.6
151.03899	1.6
151.07515	4.2
151.11162	1.1
153.05466	2.2
156.13792	0.6
157.06531	0.8
157.10089	1.5
158.03632	2.4
158.07329	0.6
159.04427	5.3
159.08025	5.2
159.11708	1.3
160.05154	2.1
161.05942	7.7
161.09637	1.7
162.06673	1.0
163.03867	0.7
163.07516	7.0
163.11171	1.8
163.14833	0.8
165.06944	0.7
165.09108	1.0
165.12683	1.2
167.07054	0.9
171.11610	0.7
172.05199	1.0
173.09610	1.2
174.06702	0.7
175.07535	5.6
175.11179	0.5
175.14896	0.7
176.08339	1.8
177.05472	2.2
177.09103	3.3
183.08110	0.5
185.09605	0.5
187.07510	3.0
187.14896	0.7
188.08250	0.7
189.05431	0.8
189.09045	2.5
191.07056	1.6
191.10658	16.5
192.10895	1.0
193.04999	0.6
193.08594	1.1
193.12213	1.6
199.03905	0.8
199.07497	0.8
199.14714	0.6
201.05446	1.2
201.09085	3.5
201.54140	0.6
203.07195	0.7
204.07867	1.4
205.08525	0.9
205.12155	3.2
207.06427	0.8
210.14940	0.7
213.05635	0.8
213.09148	1.2
215.10674	1.3
217.12157	1.3
219.10141	42.7
220.10553	1.0
225.05502	1.0
229.14224	0.6
233.11751	3.6
245.11835	2.7
263.07220	0.6
265.08801	0.6
268.97989	0.6
277.08524	0.7
282.08850	5.0
283.06039	0.7
283.24030	0.6
285.11230	2.4
295.09573	0.7
297.07980	0.6
297.10953	2.6
299.05472	5.1
300.06100	1.3
319.22858	0.8
319.26196	3.0
323.09332	0.7
323.12677	1.7
327.12296	0.9
327.15829	9.4
337.07062	1.2
337.10641	1.7
337.14331	3.3
337.27377	1.9
355.07910	2.0
355.11633	9.1
355.15463	14.7
355.21906	0.6
355.26212	1.0
356.12009	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1536
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
51.02385	0.7
53.03934	0.7
55.01862	1.2
56.56445	0.6
56.96550	0.7
62.06083	3.3
63.06400	0.9
63.92101	0.5
65.03939	0.6
67.05496	4.4
68.99783	8.8
69.07056	3.2
69.35551	5.1
69.35967	1.2
70.04070	4.1
71.04404	0.9
79.05481	2.7
81.07050	12.5
83.04951	0.7
83.08640	0.6
90.24189	0.6
91.05431	6.8
93.07034	4.6
95.04964	5.5
95.08594	1.4
96.28728	0.5
97.02873	0.6
103.05457	4.8
105.07030	3.3
107.04936	3.7
107.08564	0.9
109.10183	0.9
115.05431	0.9
115.68248	0.6
116.06173	0.9
117.07020	1.3
119.04942	1.3
119.08585	0.7
121.06494	13.8
121.10170	0.6
123.04416	100.0
124.04747	1.7
128.06218	1.3
129.07013	2.2
130.07756	1.1
131.04906	3.7
131.08556	7.5
133.06477	1.2
133.10165	0.8
135.04353	1.1
135.11775	0.7
137.05954	2.2
141.06970	2.8
142.07773	1.4
143.08549	2.4
143.90399	0.5
144.05669	1.7
145.06461	1.7
145.10089	2.4
147.04424	3.3
147.08119	0.6
149.05966	60.9
150.06322	1.0
153.05464	2.1
155.08514	1.0
157.10022	0.9
158.07234	3.2
159.04437	2.5
159.08029	9.6
161.05959	1.9
163.07507	1.2
163.11195	0.7
165.05490	1.0
167.08531	1.0
169.06456	2.2
171.08002	1.3
172.05067	0.7
173.05923	1.4
173.09589	4.0
174.06627	0.8
175.07497	1.3
176.04752	0.8
177.05511	2.7
177.09163	0.7
183.02945	0.6
183.08032	1.2
185.06029	1.0
186.06725	1.7
187.07532	11.2
189.05417	1.7
189.09106	2.2
191.07123	0.7
191.10646	3.4
201.09038	6.8
202.09291	0.6
203.07010	1.9
203.10666	1.7
204.07759	2.9
213.09065	1.6
215.10645	2.1
219.10141	48.7
220.10406	1.2
221.11865	0.9
226.11217	0.8
233.11678	8.1
245.11763	1.8
267.87958	0.6
276.10678	0.7
283.06036	1.4
285.00879	0.8
288.44974	0.8
294.21463	1.4
299.05472	5.2
337.10593	0.8
337.25647	7.1
355.07901	1.1
355.11850	2.1
355.15350	35.5
355.26685	0.9
356.15585	2.0
362.16248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
53.03951	0.4
55.01859	1.3
55.05507	1.5
65.03924	0.7
67.05505	3.8
68.14279	0.5
68.99787	4.0
69.03426	3.2
69.07046	0.7
70.93975	1.0
71.04992	0.7
72.08147	1.0
77.03899	0.6
79.05494	2.6
80.72128	0.4
81.03407	0.9
81.07049	8.0
83.04983	0.5
83.08595	0.5
85.06537	0.8
91.05452	5.4
93.07038	4.3
95.04968	4.9
95.08591	2.3
97.02867	0.9
97.06535	1.2
97.23843	0.4
99.04444	0.5
103.05470	1.9
105.07010	4.0
107.04957	2.8
107.08577	1.8
109.02901	0.9
109.06532	1.5
109.10158	1.6
111.04443	0.5
114.19591	0.4
115.05443	1.1
117.06975	1.2
119.04916	1.2
119.08576	1.9
121.02798	0.6
121.06495	8.8
121.10146	1.9
123.04421	100.0
123.11721	0.8
124.04752	2.7
127.03944	0.5
128.06219	0.5
129.06984	1.0
131.04935	1.3
131.08559	4.2
133.06491	1.2
133.10141	1.5
135.04414	1.8
135.08029	1.0
137.05981	3.2
137.09654	0.7
141.07083	0.6
142.07788	0.5
143.08595	1.0
145.06465	1.3
145.10133	1.6
147.04390	6.3
147.08044	1.2
148.05214	0.7
149.05974	30.4
150.06691	1.5
151.03873	1.1
151.07553	2.4
151.08650	0.5
151.11125	0.5
153.05466	1.4
158.07271	0.7
159.08061	4.7
160.05223	0.5
160.08910	0.5
161.05957	1.9
161.09619	1.1
162.06801	0.8
163.03915	0.5
163.07547	6.7
163.11147	1.3
165.01749	0.6
165.09158	0.5
165.65799	0.4
167.07036	1.1
167.08371	0.5
171.08034	0.4
171.11789	0.6
173.05988	0.5
173.09584	1.0
174.06712	0.6
175.03909	0.7
175.07539	4.0
176.08324	1.1
177.01805	0.5
177.05429	1.7
177.09120	1.3
180.07742	0.6
185.05888	0.7
186.06699	0.6
187.03897	0.6
187.07521	3.1
188.08264	0.7
189.05307	0.5
189.09096	2.1
189.16383	0.6
191.03513	0.6
191.06995	1.0
191.10658	13.4
192.10982	0.5
193.04947	0.6
193.08606	2.7
201.05508	1.8
201.09122	2.9
203.03358	1.1
203.07022	0.7
203.10655	1.0
204.07863	1.8
205.08583	1.1
205.12230	2.4
211.07602	0.6
213.09071	0.8
215.07259	0.5
215.10622	1.2
216.16457	0.5
217.12233	1.3
218.80995	0.6
219.06590	3.7
219.10149	55.4
220.10570	1.8
221.07945	0.6
227.10657	0.5
229.08595	1.2
231.10229	0.7
233.08069	0.5
233.11731	2.8
234.06595	0.5
245.11699	2.4
263.06958	0.7
283.06082	2.3
285.07990	0.5
285.11169	2.6
293.08051	0.6
295.09433	0.9
299.05453	0.7
309.07394	0.7
309.11215	0.6
319.10071	0.5
323.12622	0.9
327.12354	0.8
327.15842	6.1
337.07007	0.8
337.10684	4.2
337.14236	0.8
355.07947	2.8
355.11624	8.1
355.15466	11.8
355.24625	2.0
356.08380	0.5
356.12161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1535
Annotation	Neorauflavane
Peak:m/z	Relative Intensity
53.00322	0.6
55.05501	1.2
57.07063	0.5
60.43798	0.5
65.03918	0.7
67.05504	5.5
68.99780	0.7
69.03400	0.7
69.07065	1.7
69.28577	0.5
69.65601	3.3
71.08625	0.5
79.05476	1.6
81.07057	2.8
85.06568	0.6
91.05845	0.8
93.07028	1.3
95.04964	5.8
95.08613	1.3
97.06535	0.6
97.10149	0.5
103.05426	0.6
105.07021	1.2
107.04953	1.6
107.08583	0.8
109.06512	0.6
109.10162	1.0
117.06973	0.9
119.04926	1.5
119.08569	0.8
121.06480	1.4
121.10171	1.2
123.04421	100.0
123.11721	0.7
124.04757	1.6
131.04901	0.9
135.04437	3.5
137.05936	2.9
139.03876	0.6
141.86928	0.6
143.08524	0.7
145.06454	0.6
147.04405	9.9
147.11713	0.7
149.05966	4.0
150.06706	0.7
153.05447	8.2
159.04431	1.3
160.05241	0.6
161.06029	3.1
163.03908	0.9
163.07553	1.6
165.05482	2.2
173.05930	0.7
173.09776	0.5
175.07558	1.5
177.05441	6.6
179.10365	0.5
186.34233	0.5
187.07462	0.6
189.09117	1.2
191.10686	3.4
201.09084	1.3
205.08537	0.7
219.10165	2.9
221.11710	9.7
233.11771	3.5
245.11739	1.1
267.06430	0.8
269.08194	0.5
282.08862	0.7
283.06296	1.1
283.09595	1.2
283.76248	0.6
285.11063	1.1
299.05554	2.8
299.09152	14.2
337.10568	0.8
355.07782	1.0
355.11636	2.5
355.15378	16.2
355.26672	1.1
356.15765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1173
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
55.01863	0.3
55.05498	1.0
67.05493	1.8
68.99781	0.3
69.07062	1.7
71.14787	0.8
78.01300	0.2
79.05493	0.7
81.07035	2.8
83.08602	0.6
85.06528	0.5
86.99896	0.3
91.05441	1.5
92.41512	0.3
92.61005	0.3
92.99748	0.7
93.07010	1.1
95.08619	1.5
97.06520	0.3
105.03369	0.5
105.07013	1.3
107.04935	0.5
107.08590	1.2
109.10159	1.2
117.06989	0.6
119.04922	1.1
119.08559	0.4
121.02872	1.8
121.06470	0.7
121.10119	0.7
122.00774	0.3
123.04424	4.0
123.08096	0.4
123.11702	0.4
127.03848	0.4
127.07567	0.4
129.07007	0.4
131.04877	0.5
131.08531	0.7
133.02786	0.3
133.10129	0.3
135.04410	0.7
137.02396	0.4
137.05920	0.9
141.01839	0.6
141.06989	0.4
145.02824	0.7
145.06442	0.6
145.10135	0.3
147.04387	1.2
147.11644	1.2
149.05939	0.9
149.13252	0.4
153.01842	0.6
153.05386	0.4
157.06458	0.3
157.10149	0.6
159.04541	0.5
159.08012	0.4
161.02328	0.6
161.05963	0.6
161.13211	0.6
163.03883	0.9
163.07585	0.5
165.01837	1.0
165.05493	0.3
165.06932	0.4
165.12854	0.5
167.03375	0.6
169.06454	0.4
169.10167	0.5
171.11771	0.4
175.07491	0.7
177.01834	0.8
177.05487	0.6
183.02887	1.3
183.08052	0.4
190.02644	0.4
191.03333	0.4
193.12320	0.6
197.06009	0.7
200.04619	0.3
201.05507	0.5
205.08559	0.3
208.03696	0.4
211.07576	1.0
219.06656	0.4
219.10240	0.6
225.05608	0.3
229.04942	0.7
229.14407	0.3
236.93082	0.3
238.18042	0.3
239.07002	1.5
245.09543	0.7
247.07484	0.4
248.08228	0.9
253.08566	0.4
254.05855	0.5
255.06535	1.1
263.10776	0.8
265.05038	0.4
267.06500	5.5
271.05988	1.0
273.03949	0.4
276.07770	0.8
278.06369	0.5
279.06497	1.5
281.04840	0.3
281.08090	1.2
281.11545	0.3
283.05991	34.2
284.06400	1.3
285.06882	0.4
291.10178	0.9
293.07895	0.4
295.05997	7.9
295.09634	1.9
297.07443	0.7
299.05536	3.1
304.07303	0.5
305.07986	0.3
307.06033	4.4
308.06772	4.3
309.07516	3.1
309.11166	1.3
319.09650	5.8
319.26303	0.8
321.07483	2.7
322.08380	5.6
323.08682	0.4
337.10675	100.0
338.11057	2.9
355.07773	0.7
355.11694	5.9
355.15417	0.8
355.22388	0.4
355.26431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	Ficuisoflavone
Peak:m/z	Relative Intensity
50.66204	0.3
55.01855	0.4
57.07071	0.3
60.82780	0.3
65.03931	0.3
67.05475	1.2
68.99772	0.6
69.03410	0.3
69.07046	0.5
69.20830	0.3
71.06744	0.5
71.07062	0.5
75.11883	0.3
81.07034	1.1
83.66241	0.3
91.05457	0.6
93.07013	0.6
95.08584	0.8
105.07002	0.4
107.04938	0.5
109.06535	0.3
109.10137	0.7
115.05444	0.4
119.04920	1.1
119.08572	0.4
121.02885	2.3
121.03650	0.5
121.10137	0.5
123.04430	2.4
133.02855	0.5
133.10104	0.5
135.11694	0.3
137.02310	1.1
137.05946	0.4
141.01791	1.2
147.04388	0.5
149.05936	0.7
159.07994	0.4
161.06015	0.4
165.01820	3.6
171.08000	0.5
175.07536	0.7
181.06433	0.7
183.02919	2.3
185.29199	0.3
199.07487	2.6
201.05405	0.4
219.06483	0.7
227.06981	0.4
229.04948	0.7
239.07007	1.0
241.04887	0.6
248.08282	0.3
255.06506	2.9
265.04901	0.3
267.06442	2.8
271.05984	1.6
281.08096	0.5
281.11636	0.4
283.05988	69.9
284.06305	1.9
293.08331	0.3
294.05054	0.3
295.06024	8.5
295.09354	0.7
296.06387	0.3
297.07590	2.4
299.05487	1.3
307.05988	1.0
308.06717	1.3
309.07520	0.7
309.11060	0.8
313.07101	0.3
319.09659	2.0
319.26199	0.4
321.07602	0.6
322.08353	2.0
337.10696	14.7
338.11203	0.4
338.79932	0.3
355.11725	100.0
356.12036	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	355.1172
Annotation	Laburnetin
Peak:m/z	Relative Intensity
50.72031	0.5
53.03900	0.7
55.01844	1.1
55.05468	2.7
57.07048	0.9
65.03887	0.6
67.05492	5.3
68.99770	1.5
69.03381	1.8
69.07056	5.0
71.04927	0.7
71.61508	1.0
71.61880	0.6
77.26624	0.6
79.05444	2.8
81.03363	2.2
81.07054	10.2
83.04933	1.9
83.08566	2.2
85.02877	0.7
85.06500	2.6
91.05412	3.7
93.07027	4.2
95.04940	1.7
95.08058	0.6
95.08599	8.8
97.02821	0.7
97.06498	1.0
97.10111	1.4
105.07024	3.2
107.04908	2.5
107.08598	4.5
109.06499	1.4
109.10157	4.6
111.08009	0.6
111.11664	1.6
115.05416	0.8
117.06940	0.7
119.04890	2.8
119.08528	2.4
121.02866	5.4
121.06443	1.5
121.10072	2.0
123.03557	1.0
123.04415	15.1
123.11735	2.9
127.07571	0.7
128.06224	0.8
129.06943	1.3
131.04854	1.5
131.08498	1.7
133.10060	1.9
135.04338	1.9
135.07973	0.9
135.11644	2.0
137.02304	1.0
137.05930	2.3
137.09590	0.9
137.13208	1.8
141.01776	1.7
143.08522	0.8
145.06451	1.5
145.10117	1.7
147.04404	3.0
147.11600	1.8
149.05986	3.4
149.09622	0.7
149.13188	1.7
151.03848	1.5
151.07515	0.7
153.01768	1.7
153.05405	2.0
153.06755	0.5
157.06473	0.8
159.04358	1.1
159.07986	1.1
159.11641	1.0
161.05969	1.1
161.09549	0.8
161.13237	1.1
163.03905	1.5
163.07513	1.3
163.14810	0.8
165.01804	4.8
165.12640	0.8
167.07001	0.8
169.06386	0.6
171.11710	0.8
173.06000	0.7
173.09587	0.7
175.03860	0.6
175.07510	1.4
177.01779	1.4
177.05508	1.3
177.09071	0.7
179.03360	2.7
179.08554	0.7
181.06424	0.8
183.02914	4.4
183.08124	1.3
187.03813	1.1
187.07506	1.8
189.09000	1.3
191.07019	0.7
193.08501	1.3
193.12151	0.7
199.07538	1.2
200.04662	0.7
201.05403	2.1
201.09085	0.8
203.03386	0.7
205.08450	0.9
209.05972	0.6
211.07367	0.8
215.07030	1.4
219.06522	4.7
219.10066	3.9
221.04324	3.2
221.11658	0.7
227.07025	1.4
229.05003	2.0
235.14952	0.7
237.05507	0.6
239.07039	2.0
243.06439	0.8
255.06470	2.0
265.04919	0.9
267.06516	4.4
271.06009	2.1
273.25824	0.9
276.07971	0.7
279.06491	1.4
281.08047	1.2
281.11566	1.6
283.05991	100.0
284.06375	2.6
291.26730	0.6
293.08154	0.7
294.04892	0.6
295.06033	6.3
295.09308	1.2
297.07462	2.0
299.05557	3.9
299.08789	0.9
300.05405	0.6
303.83624	0.5
305.08112	0.9
307.05905	3.0
308.06943	3.2
309.07657	1.5
309.11206	5.0
313.07028	6.1
319.09573	4.3
319.26227	2.0
321.07489	1.9
322.08307	3.7
325.10730	3.3
337.07043	6.0
337.10648	73.6
337.27493	1.7
338.11069	3.1
355.08069	3.0
355.11691	46.0
355.15430	3.9
355.28751	1.2
356.12036	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	355.1171
Annotation	Uncinanone B
Peak:m/z	Relative Intensity
53.03923	0.3
55.01859	1.1
55.05495	1.2
57.07063	0.6
65.03926	0.7
66.28848	0.3
67.05499	5.1
68.99472	0.3
68.99791	3.6
69.07059	1.7
69.72147	1.2
69.72565	0.5
71.04981	0.3
79.05483	1.9
80.14793	0.3
81.03414	0.7
81.07048	8.3
82.15553	0.3
83.04962	0.4
83.08601	0.9
85.02871	0.4
85.06530	1.0
91.05432	2.6
93.07038	2.3
95.04953	6.7
95.08604	3.3
97.02869	0.5
97.06487	0.8
97.10150	0.5
98.20770	0.5
99.08089	0.3
103.05454	1.0
105.04531	0.3
105.07021	2.2
107.04950	2.5
107.08577	1.6
109.05888	0.3
109.06511	2.0
109.10146	2.5
111.04452	0.5
115.05412	0.7
117.06976	1.0
118.04111	0.3
119.04935	1.2
119.08575	1.3
121.02847	0.7
121.06489	3.6
121.10111	1.1
123.04414	100.0
123.11668	1.3
124.04673	0.5
127.03858	0.5
128.06229	0.9
129.06961	0.8
130.07829	0.4
131.04939	2.0
131.08556	2.4
133.06474	1.2
133.10112	0.9
135.04413	2.4
135.11656	1.0
137.02316	0.7
137.05968	1.2
137.09576	0.5
137.13237	0.5
141.06992	1.1
143.08543	0.7
144.05693	0.4
145.06451	1.1
145.10121	0.9
147.04390	3.1
147.08060	0.5
147.11652	0.9
148.05104	0.4
149.02284	0.5
149.05966	13.6
149.09624	0.5
149.13254	0.8
151.03868	0.4
151.07538	0.8
151.11185	0.4
153.05452	0.9
153.06967	0.3
155.08487	0.6
157.06432	0.4
157.10114	0.4
158.03592	0.6
158.07277	0.6
159.04387	1.9
159.08014	3.0
159.11685	0.4
160.05200	0.4
161.05969	3.2
161.13245	0.3
163.03905	2.4
163.07536	1.0
163.11093	0.4
165.05421	0.3
165.06998	0.4
167.03375	0.4
167.10631	0.4
169.01326	0.4
169.06366	0.7
171.04410	0.6
171.08025	0.8
173.05960	1.1
173.09581	1.0
175.03929	1.4
175.07544	1.7
175.14825	0.4
176.04591	0.4
176.08388	0.4
177.01772	0.8
177.05466	1.5
177.09027	0.7
179.03409	1.0
181.01335	0.6
185.06013	0.4
185.09671	0.4
186.06743	0.4
187.03888	1.8
187.07520	2.9
189.05466	2.0
189.09090	1.1
191.03380	1.8
191.06985	0.8
191.10629	1.0
193.04938	0.4
193.08525	0.7
197.05997	0.4
199.07495	0.8
201.05496	1.2
201.09047	2.2
201.16396	0.3
203.03436	1.5
203.06970	1.9
203.10606	0.6
204.07774	0.7
205.04935	0.5
205.08580	0.9
211.07539	0.3
213.05545	0.3
213.09085	0.6
215.07069	0.6
215.10666	0.9
217.08620	0.8
219.06638	2.8
219.10127	11.0
221.11682	0.4
223.07585	0.3
227.06973	0.5
230.05652	0.4
233.08081	9.0
233.11552	2.2
239.06996	0.4
245.08058	8.0
245.11803	0.4
246.08609	0.5
253.08595	0.5
263.07004	0.5
265.08401	0.3
267.06396	0.4
267.10214	0.3
276.07547	0.4
277.08569	0.6
279.06488	0.6
281.04413	0.3
281.08289	0.3
282.08765	0.7
283.06000	0.8
285.11017	0.4
291.06064	0.3
291.10089	0.4
293.04309	1.0
293.07819	0.6
294.05356	0.6
294.08267	0.3
295.05988	0.6
295.09476	0.5
297.10992	0.6
299.05579	2.2
305.08173	0.4
307.05865	0.9
308.06854	0.3
309.07742	0.5
309.11172	1.0
319.09482	1.8
319.26398	2.1
321.07520	1.1
322.08224	2.3
323.12668	0.7
327.12085	0.3
327.15973	0.5
337.07132	4.1
337.10657	61.2
337.27249	0.8
338.10934	1.8
355.08005	2.6
355.11652	26.3
355.15457	9.0
356.12106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1171
Annotation	3',4'-Dihydrooxepino-6'-hydroxybutein
Peak:m/z	Relative Intensity
54.99471	0.3
55.01861	0.9
55.05503	0.5
65.03929	0.6
67.05495	4.2
68.01707	0.3
68.99788	0.9
69.07067	0.6
71.04990	0.3
71.35819	0.4
71.36164	0.5
72.08123	0.3
75.33479	0.4
79.05483	0.9
81.07040	2.2
83.08615	0.3
84.79612	0.3
85.84489	0.3
91.05458	1.1
93.07051	1.0
95.04963	6.1
95.08577	1.1
96.17330	0.3
101.10760	0.3
105.07008	1.3
107.04958	1.9
109.06504	1.6
109.10152	0.4
117.07015	0.3
119.04942	1.2
119.08586	0.3
121.02927	0.3
121.06496	0.9
121.10109	0.6
123.04417	100.0
124.04751	0.7
128.06209	0.6
129.07085	0.3
130.90244	0.3
131.04929	0.8
131.08542	0.9
131.55963	0.3
133.06477	0.4
133.10138	0.6
134.03648	0.4
135.04388	1.5
137.02332	0.4
137.05949	0.5
138.03206	0.4
139.03885	0.5
143.08560	0.7
145.06470	0.6
147.04396	3.7
147.08064	0.7
147.11726	0.4
149.05972	3.8
151.03899	0.6
153.05460	4.0
159.04413	1.4
159.08025	0.6
159.11708	0.5
161.05911	2.0
161.09671	0.5
163.03908	2.8
163.07547	1.0
165.01849	0.4
165.05478	0.7
171.08020	1.1
173.06007	0.7
174.06639	0.4
175.03888	1.1
175.07520	1.6
177.01796	0.9
177.05472	1.3
177.09070	0.7
179.03371	1.2
181.01286	1.0
183.02950	0.4
187.03986	1.5
187.07503	1.2
189.05476	1.0
189.09070	2.4
191.03380	2.2
191.07068	0.9
191.10655	0.8
193.08524	0.6
199.07611	0.7
201.05475	0.4
201.09036	0.8
203.03333	1.7
203.06995	1.2
203.10620	0.5
205.04990	0.6
205.08598	1.0
215.07048	0.7
217.08563	1.7
218.05653	0.4
219.06543	2.9
219.10066	2.3
227.06984	1.2
229.08611	0.6
230.05988	0.3
233.08083	11.4
233.11673	0.6
239.07088	0.5
245.08044	10.6
265.08685	0.3
267.06488	0.6
267.10095	0.6
277.08673	0.7
280.07355	0.4
281.11630	0.4
282.08847	0.7
283.05920	0.7
293.04498	1.0
293.08038	0.8
294.05392	0.4
295.06046	0.7
295.09573	0.8
299.05457	1.1
304.07156	0.4
305.08087	0.7
307.06024	0.5
309.11038	0.8
319.09552	2.2
321.07486	1.0
322.08411	3.1
327.15726	0.4
337.10669	66.2
338.11047	2.2
355.11700	70.7
355.15295	2.8
356.12143	1.5
371.45700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1173
Annotation	Platanetin
Peak:m/z	Relative Intensity
55.01623	0.6
55.01872	9.2
68.99781	2.0
69.45959	0.9
69.46365	3.5
73.34137	0.3
79.01846	2.4
81.03411	0.7
81.07032	0.4
89.89395	0.4
91.05412	0.5
95.08601	0.5
98.20695	0.8
105.03378	0.4
105.07020	0.8
107.04964	0.7
109.47965	0.5
117.06989	0.8
121.02883	0.6
121.10197	0.6
123.00788	2.1
123.04419	4.0
128.06215	0.6
131.04950	0.7
135.04422	1.4
137.02309	1.0
141.01807	0.8
145.06450	1.1
149.05995	0.8
153.05420	0.6
155.03351	0.8
157.06573	0.5
159.04372	1.4
161.02332	9.9
165.01828	18.8
166.02156	0.5
169.06468	0.6
171.04390	0.9
173.05984	2.0
175.03929	0.4
177.01910	0.5
183.02937	2.0
183.04280	0.5
185.02364	0.5
185.05815	0.4
189.05476	0.6
189.09068	0.6
191.10617	0.4
197.05959	1.5
201.05464	5.6
203.03345	0.4
211.38911	0.4
213.05469	1.5
219.10103	0.9
221.11781	0.6
225.05507	1.7
227.03368	11.9
227.05472	0.8
229.04944	12.9
243.06511	1.1
253.04918	1.8
257.04315	1.9
258.83514	0.4
260.33417	0.4
267.06448	0.7
268.99597	0.6
271.06107	0.6
281.04379	1.9
285.11057	0.8
297.07590	1.8
299.05490	98.5
300.05746	2.1
336.08789	0.4
337.10513	1.1
355.11734	100.0
356.12079	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1174
Annotation	2,3-Dehydrokievitone
Peak:m/z	Relative Intensity
52.85453	0.2
55.01665	0.2
55.01871	2.8
59.04982	0.2
65.03928	0.2
67.05494	0.3
68.99783	1.5
69.03414	0.4
70.37922	0.5
70.38320	0.5
74.38160	0.2
79.01850	0.5
79.05450	0.3
81.03409	0.6
81.07035	0.7
83.04981	0.3
91.05466	1.0
92.99759	0.5
95.04944	0.7
95.29672	0.2
97.02869	0.5
99.00799	0.7
103.05468	0.4
105.07005	1.0
107.04910	0.3
115.05434	0.5
117.07017	0.4
119.08601	0.2
121.06523	1.1
123.00787	0.6
123.04420	16.7
133.06450	0.4
135.04356	0.6
137.02327	2.3
137.05931	0.3
141.01813	9.1
145.06451	0.8
147.04340	0.2
147.08084	0.4
149.05966	5.4
151.07544	0.4
159.07994	0.3
161.05934	0.4
163.07521	7.7
163.67079	0.2
165.01823	38.9
166.02116	0.4
173.09613	0.8
175.07530	1.9
176.08359	0.3
177.09033	0.4
183.02876	27.5
184.03345	0.4
187.07411	0.3
189.09184	0.3
191.10632	1.5
197.05937	0.4
199.03880	0.8
201.05450	0.4
201.09042	1.8
215.06972	0.2
215.10678	0.7
219.10155	3.8
225.05493	0.5
227.03362	0.8
227.10597	0.4
229.04904	0.3
233.11690	1.0
243.06516	0.3
245.11757	0.6
253.04936	1.4
271.05762	0.4
281.04431	17.3
282.04828	0.5
285.11209	4.5
299.05475	100.0
300.05887	2.0
301.06128	0.2
317.22266	0.3
327.16055	0.4
337.14243	0.3
347.64850	0.2
355.11676	12.1
355.15503	3.2
356.12161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78661	1.3
53.03923	1.1
55.01884	1.3
56.96580	1.8
57.02308	1.1
57.03421	1.6
58.06583	1.0
59.36819	1.3
66.92429	1.2
69.03410	3.3
70.06582	2.1
71.04993	2.1
71.60465	2.1
72.08144	5.1
73.04748	4.2
73.42731	1.3
74.74158	1.0
81.07063	1.4
82.06544	1.5
84.08160	2.1
85.02905	4.5
89.06026	5.3
91.05791	23.9
93.03719	2.1
96.08144	1.6
97.02898	4.5
98.97570	2.2
105.07056	1.1
107.04952	1.5
109.02940	1.7
116.98587	1.6
119.04955	1.2
121.55717	1.5
122.07082	1.4
123.07990	2.2
127.03916	2.9
133.08792	1.2
136.07594	2.9
137.15479	1.2
139.04007	1.4
145.06445	1.3
147.04427	2.4
150.05339	2.5
151.07651	1.2
163.03957	2.8
192.03929	12.5
192.05432	1.6
193.04691	6.5
198.07689	1.9
201.00827	1.7
208.09839	1.7
219.01695	1.7
223.57007	1.3
255.65508	1.3
268.97910	5.0
285.01068	5.2
303.02258	2.3
324.08151	2.6
355.10104	100.0
355.14038	5.3
355.18164	12.8
356.10809	2.1
373.07800	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	354.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21984	0.7
55.01872	1.7
55.05500	4.9
57.03435	2.8
60.04524	1.1
62.06087	100.0
63.06427	1.7
67.05505	13.3
69.03436	0.8
69.07068	10.1
69.77067	5.2
71.05006	2.4
75.57748	0.7
76.77769	0.8
79.05485	10.8
81.03422	2.3
81.07056	16.8
81.07517	1.3
82.07376	0.7
83.04968	1.8
83.08615	2.6
85.06564	1.9
87.55254	0.7
91.05450	11.2
93.07048	9.0
95.04958	6.2
95.08609	11.2
97.06522	4.4
97.10168	1.2
98.06048	5.6
99.04493	1.5
99.08134	1.9
105.07030	11.3
105.07672	1.0
107.04979	3.1
107.08601	5.8
109.06527	10.9
109.10168	2.7
111.08089	0.9
112.07623	1.2
113.06023	1.7
115.01641	1.0
115.07553	2.0
117.07031	2.6
119.04973	0.8
119.08566	8.2
119.09196	0.6
121.06509	2.3
121.10146	5.2
123.04435	9.1
123.08072	6.9
123.11703	1.5
129.07036	1.9
131.08582	6.8
133.10107	5.6
134.09680	1.0
135.08075	2.7
135.11699	1.9
137.09645	1.7
143.08629	1.9
145.10092	5.6
147.04449	1.8
147.08102	1.4
147.11676	5.5
149.06015	1.5
149.09653	3.1
149.13249	0.9
153.01805	0.9
153.05463	1.0
156.73692	0.7
157.10219	1.2
159.11690	3.6
161.06017	1.4
161.13287	2.3
163.07521	1.1
163.11142	0.8
163.14902	0.8
164.37737	0.8
165.12810	0.8
171.11732	3.3
173.13274	2.3
183.11679	1.0
185.13350	1.1
187.14833	1.2
189.09087	0.8
189.12778	2.9
191.10753	1.2
198.14931	1.8
201.05528	0.9
201.09148	0.9
201.16418	1.0
205.15849	1.2
208.17027	2.0
215.18025	1.0
219.10194	1.8
222.18602	1.1
223.43620	0.9
226.18036	1.3
236.16505	1.5
239.17957	1.5
240.19737	4.3
248.20161	1.1
250.18027	18.7
251.16397	1.2
254.17613	1.2
255.06613	1.0
257.19070	2.4
262.21762	1.6
266.21167	3.7
268.19086	23.3
268.21979	1.5
269.19824	1.1
275.20096	3.4
276.19626	1.5
280.22809	1.9
283.06003	2.8
286.20120	13.2
294.20813	1.0
294.24313	1.4
295.06036	1.8
296.06323	2.0
299.05438	2.7
309.07477	0.9
312.09494	2.5
313.07211	0.8
318.24286	18.9
319.25125	1.0
321.07275	1.0
336.09473	5.9
336.25360	21.1
337.10837	4.4
354.06287	1.0
354.10437	12.9
354.14169	2.0
354.26382	28.7
354.30557	1.6
355.07974	1.4
355.11722	9.2
355.15454	1.2
355.26328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01855	3.2
55.05503	6.2
57.03429	5.6
57.07058	1.8
58.06591	1.6
62.06083	100.0
65.03914	1.6
67.05499	17.2
68.42110	1.0
68.99770	2.6
69.03399	3.1
69.07063	10.0
70.24247	5.3
71.04989	4.9
79.05483	17.0
81.03415	2.8
81.07047	17.1
82.06564	1.4
83.04967	4.3
83.08613	3.7
85.02909	1.2
85.05289	1.0
85.06538	3.2
86.06088	0.9
91.05456	15.3
93.07033	20.5
95.04959	5.7
95.08605	12.9
96.08140	1.5
97.02889	1.5
97.06507	3.4
97.10173	1.2
98.06055	2.8
98.21425	1.3
103.05440	1.4
105.07019	13.2
107.04943	4.1
107.08585	13.8
109.06517	3.7
109.10154	7.3
111.04433	1.3
111.08073	5.1
115.05402	1.3
116.88803	1.1
117.07065	6.2
119.04964	2.4
119.08572	10.5
121.06484	3.4
121.10127	9.1
123.04417	48.8
123.08015	1.7
123.11678	2.4
124.11207	2.9
125.09613	1.1
129.06998	2.3
131.08551	7.9
133.06493	1.6
133.10129	5.9
135.04416	3.0
135.08040	3.4
135.11705	2.0
137.02345	2.9
137.05920	2.3
137.09634	1.7
138.12756	4.3
139.03809	1.0
139.07576	1.1
139.11172	1.7
141.01851	1.4
141.06961	1.2
143.08562	3.9
145.06488	1.8
145.10100	6.2
147.04413	5.1
147.08044	1.1
147.11676	4.9
148.12051	1.2
149.05963	8.7
149.09563	1.9
149.13263	1.6
151.11127	1.2
153.01788	2.7
153.05450	10.9
153.68924	1.1
157.10127	2.4
159.08009	3.2
159.11679	4.5
161.06001	3.0
161.13234	1.5
163.03908	1.1
163.07495	5.9
163.11183	1.7
165.01865	4.0
165.06960	1.1
165.12695	1.1
171.08064	1.5
171.11710	1.9
173.05925	2.1
173.13239	2.9
175.07558	3.0
177.05431	2.7
179.06955	1.3
181.06572	0.9
183.02843	4.8
183.11690	1.4
184.13412	1.8
185.13211	1.3
187.07552	2.6
187.14806	3.4
189.05547	1.2
189.09044	6.1
191.06969	1.9
191.10684	6.4
193.08630	1.8
196.13284	1.1
197.06001	1.3
198.14882	4.9
199.13234	1.1
201.16385	1.0
203.10748	1.7
205.15900	1.7
210.14868	10.8
213.09401	1.1
214.14436	2.6
215.06967	1.4
216.15936	3.7
219.06511	9.4
219.10115	10.4
221.08066	4.1
226.17969	1.5
227.06979	1.2
228.15894	14.5
233.08067	3.5
233.11700	1.4
239.17969	1.8
243.06519	2.0
248.20190	1.8
257.19092	2.7
262.21451	1.2
264.19681	1.0
266.21167	4.3
271.06082	1.4
275.20013	7.3
278.21127	12.1
280.22644	1.6
283.05899	4.8
293.20941	1.5
294.24124	1.4
299.05481	84.4
318.24277	13.7
323.12549	1.3
327.15845	6.9
336.25296	76.6
337.10577	5.5
337.25317	3.9
339.12149	1.6
354.06342	1.9
354.10480	17.3
354.14182	2.5
354.19528	1.2
354.26465	27.3
355.08032	2.0
355.11676	24.5
355.15512	7.6
355.26529	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	354.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.6
56.98360	0.9
58.06590	5.1
60.04520	1.2
65.03933	1.3
67.05497	4.0
69.03419	2.2
69.07054	2.8
69.36652	4.2
69.37073	8.1
69.80928	1.0
70.06582	7.2
71.04983	5.1
72.05308	1.8
72.08151	11.4
73.08481	1.1
79.05502	2.7
81.03398	1.7
81.07056	6.1
82.07364	2.5
83.04968	1.1
84.04501	1.4
84.08133	4.6
85.02911	3.8
86.09702	3.5
87.04438	1.2
89.10796	1.7
91.05402	2.1
91.05867	1.9
93.07016	1.6
94.06562	7.0
94.07113	1.1
95.04935	1.9
95.08602	5.0
96.08931	2.5
97.02873	2.0
98.06032	1.4
103.05456	1.0
105.07060	1.7
106.06555	2.0
107.04944	2.4
108.08115	1.9
109.02892	2.2
110.02382	1.8
110.06104	1.6
117.07043	1.1
118.06531	4.5
119.04958	3.3
120.08101	2.4
121.02845	1.0
121.10121	1.4
122.06021	9.4
123.06876	1.3
124.07589	6.4
129.10223	1.3
130.06512	87.4
131.04807	1.9
131.06850	2.6
132.08102	3.0
134.06001	40.7
134.99684	1.2
135.09195	3.3
136.07576	12.8
137.07971	1.1
138.05481	1.3
138.13547	2.2
140.07094	4.1
143.11829	1.3
144.08170	1.4
146.05984	6.6
147.04372	11.2
148.07597	1.4
149.05986	1.7
149.07083	3.0
150.05492	100.0
151.05879	2.2
152.07053	77.8
153.07474	1.6
154.08635	3.2
155.14322	4.5
156.14690	4.7
157.07625	3.6
158.08420	6.4
159.09143	13.3
161.07100	7.8
162.05534	1.3
162.07866	2.8
163.08661	43.1
164.07057	1.7
167.06992	1.6
168.06502	2.0
169.07637	3.8
174.15762	2.1
175.08675	2.4
177.05466	1.4
179.08246	2.0
180.06616	1.3
180.08041	3.0
181.05009	1.7
181.09746	8.7
188.07094	4.0
189.06577	2.4
191.16385	1.6
192.16832	1.2
193.04886	1.9
193.08562	1.2
194.09631	1.2
203.08301	1.2
205.09760	3.9
205.23201	1.1
206.08315	1.7
207.07677	11.9
207.59064	1.3
208.18694	1.1
215.08134	2.2
218.11691	2.3
219.07701	1.2
221.10744	1.4
225.08698	36.8
226.09096	1.4
232.09851	1.4
237.08765	2.8
248.09496	3.0
249.10233	24.2
251.11809	1.2
253.03922	1.1
260.09723	1.3
261.10181	1.2
263.11768	10.8
267.11249	14.3
275.11749	29.0
276.12170	2.7
279.11261	8.6
280.12112	3.7
281.12830	52.4
282.13260	2.3
291.11435	1.6
292.14450	20.5
293.12766	23.2
294.05231	2.9
309.07565	3.4
310.15472	38.4
311.16013	1.7
336.18265	1.3
337.07211	4.9
354.14478	57.7
355.07858	4.2
355.14862	3.6
362.94934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
54.44294	1.1
55.01866	4.0
55.05505	21.4
57.03423	3.0
57.07070	15.3
58.06578	1.3
58.16163	1.1
59.04989	1.9
64.60287	1.1
65.03923	3.5
67.05499	36.4
69.03439	6.8
69.07061	40.9
70.06587	2.0
70.07345	1.2
71.04978	3.6
71.08619	13.1
71.62845	1.5
72.08163	7.2
73.02898	1.2
73.06568	1.9
79.05481	29.6
81.03408	4.0
81.07047	100.0
82.07379	4.2
83.04966	19.6
83.08611	15.8
84.08153	1.4
85.02907	4.5
85.06533	27.6
86.09711	1.3
87.04443	2.8
91.05457	14.6
93.07032	40.3
95.04949	9.2
95.08596	87.2
96.08931	3.2
97.02883	4.4
97.06519	62.4
97.10163	11.1
98.06847	1.6
99.04426	2.7
99.08089	8.4
100.11257	4.0
101.06012	4.8
103.05448	2.5
103.43655	1.1
105.07022	22.4
107.04980	5.8
107.08585	39.6
109.02863	4.2
109.06525	7.1
109.10146	51.7
110.10513	3.0
111.08083	6.7
111.11023	1.5
111.11698	6.9
113.05999	3.7
113.09660	2.1
115.05470	1.3
115.07551	5.0
117.07005	4.9
119.04945	3.4
119.08575	20.1
119.09366	2.2
121.06502	4.0
121.10133	30.0
122.05995	1.6
123.04417	14.6
123.08057	5.6
123.11699	34.5
125.05988	2.1
125.09623	5.3
125.13305	1.8
127.03886	3.7
127.07501	2.8
129.05461	7.2
129.06972	2.4
129.09151	1.6
131.04897	4.0
131.08569	8.0
133.06471	3.3
133.10114	17.2
135.04442	1.7
135.08031	4.0
135.11667	24.3
136.07547	2.2
136.12048	2.3
137.05971	3.9
137.09625	3.4
137.13255	13.3
139.07507	3.3
139.11147	3.5
141.09039	1.6
141.12703	1.6
142.12238	2.6
143.07005	3.7
145.06509	3.1
145.10118	10.2
147.04408	13.6
147.08000	2.4
147.11650	14.0
148.04984	1.2
148.12115	1.4
149.02328	1.2
149.05948	3.1
149.09625	4.2
149.13242	25.2
149.84750	1.2
151.07556	5.7
151.11163	4.9
151.14824	3.3
153.05540	1.8
153.09171	1.4
153.12718	2.2
155.07008	5.3
155.08328	1.3
157.10091	2.9
159.08075	4.2
159.11678	7.1
159.14896	2.5
161.05968	3.6
161.09573	4.5
161.13245	8.7
163.03912	2.3
163.07494	2.2
163.11180	4.9
163.14789	9.9
165.05530	3.0
165.09079	3.4
165.12732	3.8
165.16330	3.9
167.07011	13.8
167.10634	2.2
168.07564	1.7
168.13850	3.5
169.08673	2.5
171.08002	1.5
173.05988	1.6
173.09627	2.7
173.13255	2.8
175.03931	2.4
175.07558	2.4
175.11154	3.7
175.14803	4.5
177.05446	8.5
177.09061	2.3
177.12816	1.5
177.16383	8.0
179.07036	1.4
179.10677	4.4
181.04945	2.8
181.12209	1.8
187.03918	1.7
187.14819	2.0
189.12622	2.2
189.16393	4.8
190.07785	1.3
191.06990	8.0
191.10677	4.0
191.14285	4.1
191.17944	4.9
192.13841	2.2
193.04964	3.2
193.12218	3.3
193.15808	1.8
196.13272	3.3
197.11711	5.6
199.07584	3.6
199.14912	1.7
201.09013	1.8
203.03406	5.0
203.08435	1.5
203.14156	1.9
203.17909	3.5
205.12112	2.0
205.19548	5.4
207.13831	1.9
207.17375	1.6
209.07976	2.0
211.13249	3.2
211.20485	1.8
215.08612	2.3
215.14357	2.3
215.17882	2.6
218.07159	2.3
219.08162	1.5
219.10126	11.9
220.10451	2.0
221.04471	2.0
221.18915	1.4
223.20551	7.2
224.11029	5.1
225.14818	2.5
229.08630	2.2
231.02939	2.7
233.09641	3.7
233.19006	1.5
235.07513	2.6
235.16972	1.8
239.16322	3.1
245.08073	4.4
245.22679	2.6
247.17079	1.6
247.24142	1.6
251.16512	1.9
253.17909	1.6
260.08255	2.0
261.09116	6.1
261.18503	1.4
263.06943	3.0
263.23752	2.8
264.07562	1.9
265.08392	1.7
265.17770	1.6
269.18637	3.5
271.24176	5.0
273.07745	1.7
273.11160	1.8
278.09116	2.8
279.19421	2.6
281.22482	2.0
289.10831	30.1
289.25217	9.5
290.09097	1.9
291.10083	1.8
292.07599	1.9
293.11548	2.6
293.21198	1.5
295.05994	2.1
299.05319	1.6
299.23587	2.8
306.08734	2.2
307.09644	4.3
307.26178	4.6
309.07352	2.6
311.05365	1.3
317.10114	6.1
317.21152	2.0
317.24695	14.5
318.25067	1.9
321.11203	12.3
322.11670	2.8
323.09152	2.5
324.06238	1.4
325.07129	2.7
325.14359	1.8
335.11444	10.1
335.22009	2.9
335.25748	28.8
336.26276	2.5
338.07819	5.1
353.06531	3.4
353.10092	34.4
353.14163	25.9
353.19897	1.8
353.26880	23.1
354.10397	5.1
354.13876	5.9
354.27686	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01865	2.2
55.05506	18.0
55.07022	0.8
57.03424	1.8
57.07077	7.9
59.05001	1.4
65.03960	0.9
67.05499	33.7
69.03435	4.1
69.07063	34.0
70.79405	1.9
70.79781	1.7
71.04988	4.8
71.08629	2.1
72.08145	2.1
79.05487	21.0
81.03435	1.5
81.07053	100.0
82.06570	0.8
82.07382	2.7
83.04984	15.8
83.08613	13.1
85.02909	1.9
85.06537	27.6
87.04463	1.6
91.05470	10.6
93.07041	32.9
95.04964	6.3
95.08600	81.6
96.08932	3.6
97.02908	4.4
97.06528	15.6
97.10158	8.8
99.04464	2.3
99.08093	8.3
100.11243	2.9
101.06009	3.8
103.05460	0.9
105.07024	19.0
107.04968	3.6
107.07859	1.9
107.08590	38.4
108.08895	1.0
109.02871	1.5
109.06516	5.7
109.10151	53.2
110.10487	1.9
111.04441	1.3
111.08065	5.2
111.11720	5.7
113.06001	2.7
113.09642	3.6
115.05419	1.4
115.07558	4.8
117.07018	1.8
119.04967	2.4
119.08562	14.2
121.02867	1.6
121.06528	2.7
121.10133	25.7
122.10455	1.0
123.04417	4.8
123.08070	3.0
123.11707	28.2
124.12065	0.8
125.05981	2.3
125.09641	6.6
127.03915	1.4
127.07563	2.3
127.11175	1.8
129.05507	6.4
129.07001	1.8
129.09032	1.1
131.04898	1.3
131.08568	5.2
133.06496	3.1
133.10117	12.9
134.99603	0.8
135.04462	1.5
135.08057	3.1
135.11679	24.6
136.12035	1.6
137.06007	1.9
137.09645	3.3
137.13239	10.2
139.07520	1.7
139.11177	4.6
140.03230	0.7
140.11508	0.9
141.05417	1.3
141.09113	1.2
143.07013	4.3
143.08559	1.8
145.10114	7.5
147.04395	3.4
147.08051	3.2
147.11671	11.6
148.04897	1.1
149.05968	2.7
149.09637	2.2
149.13252	21.5
151.07550	3.1
151.11172	3.3
151.14781	3.0
153.05466	1.1
153.09073	1.3
153.12759	2.8
155.07028	4.7
155.08324	0.9
159.08029	1.1
159.11736	5.7
161.05978	1.1
161.09644	2.1
161.13251	7.8
163.11134	2.1
163.14801	10.1
164.04611	0.8
165.09116	3.1
165.12779	2.4
165.16405	3.4
167.07037	6.0
167.10643	1.2
169.08667	1.9
169.12201	0.8
171.11655	2.0
173.09608	1.3
173.13225	4.6
175.03917	0.9
175.07553	1.5
175.11189	2.5
175.14775	5.9
176.15067	1.1
177.05406	1.3
177.12813	1.0
177.16380	8.6
179.10658	2.7
179.14317	1.4
179.17938	2.2
181.12354	0.9
181.62343	0.7
183.10135	0.9
185.05875	0.9
185.11713	1.1
185.13272	1.4
185.16336	1.0
187.14752	2.1
189.09074	1.3
189.12758	1.8
189.16368	4.0
189.73337	0.8
191.06981	4.3
191.10672	1.4
191.17955	4.8
193.12234	2.7
193.15935	1.9
193.19550	1.0
197.11693	2.0
199.07509	1.8
199.14795	1.3
201.16382	1.8
203.14354	1.5
203.17947	2.5
205.19547	4.3
207.06528	1.1
207.13893	2.1
207.17468	1.1
209.19073	1.3
211.13206	4.6
215.08585	1.3
215.17975	3.3
217.08514	1.0
217.19537	1.3
218.07312	2.0
219.10225	1.0
221.15405	1.5
223.20605	3.3
225.14886	2.5
229.19608	1.0
233.09572	2.8
233.15489	1.4
235.17024	1.6
239.16391	1.6
245.22714	1.5
246.06763	1.2
247.07503	1.4
247.24280	1.8
251.16400	1.9
253.17978	2.2
261.09103	2.6
261.18579	1.3
263.06989	1.0
263.23685	4.0
265.17972	2.8
271.24176	6.2
278.09366	0.9
279.19583	3.6
281.22617	2.0
283.06021	17.8
289.08258	1.9
289.10815	2.6
289.25192	11.1
291.06491	1.0
292.07291	2.0
293.11700	1.9
295.06207	1.3
295.09448	1.2
299.23657	3.9
306.08759	0.8
307.09641	3.2
307.26263	4.2
309.07507	1.4
311.05508	1.0
317.24747	11.1
321.11212	4.2
323.09317	1.1
325.07111	1.1
325.10645	3.1
335.08850	8.9
335.21964	1.6
335.25803	28.3
336.09409	1.4
336.26013	3.0
338.07806	1.2
353.06543	1.5
353.10126	18.6
353.13998	9.0
353.19327	1.5
353.22998	1.9
353.26807	15.7
354.10168	3.9
354.14359	1.0
354.26843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.05502	15.9
57.03426	4.8
57.07077	6.6
58.12212	1.2
60.67055	1.2
67.05497	84.6
69.03428	1.4
69.07058	15.5
71.04984	2.7
71.08605	7.2
71.37697	2.2
71.38033	1.8
79.05484	50.7
80.05811	1.8
81.07046	88.1
82.07381	4.1
83.04959	3.3
83.08601	11.7
85.02851	1.5
85.06525	5.5
91.05465	29.6
92.05769	1.7
93.07033	69.9
93.33935	1.4
94.07359	2.8
95.04958	6.9
95.08595	70.0
97.06497	4.4
97.10159	4.3
99.08081	6.5
105.07014	22.7
107.08582	47.3
108.08918	1.6
109.06502	3.9
109.09437	1.2
109.10137	24.8
111.08069	2.1
111.11669	1.4
113.09647	3.1
117.07007	12.2
119.08562	16.5
121.09301	2.7
121.10129	39.1
123.04420	7.6
123.08018	2.0
123.11687	14.3
125.09617	2.6
129.06998	3.1
131.08551	23.1
131.16109	1.3
133.10132	14.1
135.11676	27.4
136.12062	1.4
137.09601	2.5
137.13237	9.8
138.03061	3.2
145.10109	20.4
147.04359	2.9
147.11647	12.9
149.05942	1.6
149.13242	23.1
150.13628	1.9
151.11206	1.5
151.14795	5.3
153.05458	14.2
153.12804	1.9
157.10117	2.9
159.11649	13.6
161.06068	1.4
161.13251	10.4
162.13579	1.7
163.11191	2.3
163.14786	22.6
163.16075	1.9
166.46915	1.2
171.11618	1.9
173.13248	19.8
175.14798	4.8
177.12723	1.8
177.16377	7.0
179.14394	1.6
180.14665	2.1
187.14795	10.3
189.09081	2.4
191.14209	2.4
201.16324	3.4
205.15860	1.9
215.17963	2.5
233.22633	9.1
243.21057	40.1
244.21547	2.0
261.22113	100.0
262.22491	5.2
278.80804	1.3
279.22891	4.4
293.22800	1.6
335.25888	7.1
353.06253	1.5
353.10071	15.5
353.13989	7.6
353.26706	15.3
354.26718	1.5
354.33624	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01871	17.5
55.05509	49.6
57.03439	16.6
57.03656	2.9
57.07064	12.8
58.06597	3.8
65.03932	3.8
67.05495	98.9
69.03442	3.1
69.07063	66.3
70.38300	12.9
71.04980	6.2
71.08620	22.1
79.05486	51.8
81.07048	100.0
83.04973	7.6
83.08599	30.4
83.34267	3.0
85.02907	3.4
85.06526	7.6
91.05466	26.3
93.07035	60.1
95.04966	12.8
95.08595	80.7
97.06499	18.3
97.10159	17.1
99.08071	19.0
105.07030	19.0
107.08580	50.9
108.23136	3.1
109.06539	3.9
109.10144	52.1
111.08075	8.9
111.11699	4.5
117.07005	12.7
119.08553	18.7
121.06528	4.5
121.10141	33.2
123.04408	7.1
123.11738	16.0
125.09611	15.1
131.08580	22.0
133.10118	11.4
135.08076	4.0
135.11693	33.3
137.09561	3.9
137.13261	14.9
143.08604	3.1
145.10104	19.6
147.11629	15.3
149.13213	19.1
153.12744	20.9
157.10069	4.5
159.11665	11.0
161.13260	6.3
163.14783	14.7
173.11824	4.6
173.13260	15.0
177.16367	6.7
187.14885	7.7
189.11217	11.3
201.16473	3.1
205.15854	3.9
233.22670	6.9
243.18869	3.4
243.21017	19.6
261.22144	58.1
267.06491	4.8
279.23199	36.7
285.07553	12.3
297.07727	7.0
335.25787	5.6
338.31345	2.9
353.09827	17.3
353.12939	4.7
353.13852	7.3
353.26889	95.2
354.13843	3.8
354.27246	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05785	1.7
53.03936	2.2
55.01836	1.4
55.05507	12.7
57.03428	4.5
57.07061	6.1
65.03929	2.5
67.05499	91.6
68.05815	2.0
69.07063	11.9
69.43652	11.8
70.13596	1.5
71.04980	2.6
71.08618	4.7
79.05486	50.1
81.07050	100.0
82.07402	2.3
83.08607	7.6
84.87757	1.6
85.06544	4.6
91.05474	24.4
93.07034	64.5
95.04977	4.7
95.08599	74.6
96.08977	1.6
97.06502	3.8
97.10172	4.8
99.08098	5.9
105.07020	17.7
107.08587	42.9
109.10146	31.1
113.09659	3.8
117.06999	8.2
119.08585	13.9
121.10124	32.2
123.11707	14.1
131.08546	21.0
133.10123	8.2
135.11679	21.3
137.13228	9.2
145.10103	17.5
147.11670	8.4
148.56335	1.8
149.09702	1.5
149.13263	22.6
151.14824	4.9
153.05443	8.5
153.12683	1.8
159.11702	9.5
161.13258	11.9
163.11195	1.6
163.14804	16.0
165.12732	1.6
173.13240	18.2
175.14816	3.7
177.12764	1.8
177.16356	6.8
179.14223	2.0
187.14828	11.4
189.09010	2.3
191.14299	2.8
199.74506	1.8
201.16364	4.4
233.22639	7.1
243.21063	41.0
244.21321	3.2
261.22110	96.2
262.22452	6.1
279.23132	5.1
335.25769	17.3
353.26868	13.3
354.26895	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.35034	3.0
55.01853	6.7
55.05503	32.6
56.45607	2.4
57.03422	11.4
57.07052	7.3
67.05499	82.0
69.06716	3.8
69.07061	41.0
69.68109	17.1
71.04984	6.1
71.08617	37.7
77.90511	2.4
79.00169	2.4
79.05061	2.8
79.05485	40.7
80.34639	2.1
81.07046	100.0
83.04977	5.6
83.08611	21.2
85.06509	7.4
85.10143	2.3
86.03333	2.6
91.05466	20.0
93.07040	50.6
95.04935	3.1
95.08598	75.5
97.06511	11.2
97.10162	18.1
99.08084	28.3
105.07021	18.9
107.08583	42.6
109.06518	4.4
109.10145	40.2
117.07016	6.7
119.04836	2.6
119.08559	14.5
121.10139	25.5
123.11687	18.3
125.09628	7.3
127.03888	2.5
131.08524	15.4
133.10115	8.7
135.11668	22.9
137.13242	8.6
145.10156	12.9
147.04311	3.4
147.11699	16.2
149.13205	15.0
151.11143	3.1
151.14795	4.2
153.12729	6.6
159.11673	7.9
161.13216	6.6
163.11180	4.8
163.14813	15.5
165.12761	7.7
173.11736	5.4
173.13249	9.3
183.02843	3.1
185.13239	2.4
187.14740	9.4
189.11185	10.5
201.16367	3.8
233.22668	5.2
243.21106	14.5
254.05809	3.1
254.96609	2.5
261.22144	40.6
279.23178	23.6
297.07553	53.0
298.07941	6.8
326.06961	2.5
335.26300	4.6
353.10046	6.3
353.13849	9.1
353.26791	75.8
354.27374	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	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05505	15.3
55.19444	1.7
57.03432	6.5
57.07080	3.0
61.84137	1.8
65.03924	3.5
67.05502	85.1
69.07086	8.9
71.02873	4.6
75.04462	2.1
79.05042	3.7
79.05482	37.4
81.07052	100.0
83.08605	7.8
91.05467	17.5
93.07040	47.2
95.04974	3.4
95.08598	75.7
96.08968	1.9
97.06519	4.0
97.10170	3.3
99.08059	4.1
105.07011	13.4
107.08582	35.1
109.10151	38.4
117.07030	6.0
119.08550	9.7
121.10138	37.3
123.07957	1.9
123.11706	17.8
131.08565	15.6
133.10143	11.5
135.11676	25.6
137.09628	1.9
137.13260	7.3
139.11252	1.9
145.10097	13.5
147.11684	12.2
149.09610	2.0
149.13272	23.2
151.14748	2.6
153.12775	2.8
154.01443	1.9
159.11661	14.6
161.13229	9.8
163.14815	10.3
165.12888	1.9
173.13272	13.3
175.14804	3.8
177.16434	3.4
179.14395	2.5
187.14781	11.5
201.16512	2.6
206.94572	1.7
228.86005	1.8
233.22676	3.3
243.21097	22.7
261.19354	4.2
261.22125	88.3
262.22397	3.6
279.23199	5.8
335.25818	13.2
353.26794	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93364	1.6
52.14865	1.5
53.03931	2.2
55.01856	1.8
55.05503	11.5
57.03413	6.9
57.07051	5.3
58.06587	2.4
65.03929	4.5
67.05498	88.4
68.99757	2.1
69.03436	1.7
69.07059	18.1
70.07674	8.7
71.04968	3.4
75.04464	2.6
77.48250	1.6
78.43962	1.6
79.05482	40.8
81.07052	100.0
82.07386	2.8
83.04978	1.9
83.08628	9.4
85.06515	4.4
91.05465	21.5
93.06470	3.2
93.07038	53.2
95.04948	4.6
95.08597	77.6
96.08916	3.1
97.06530	4.1
97.10137	4.3
99.08093	4.5
105.07017	19.4
107.04943	2.8
107.08575	33.0
108.08924	2.3
109.06476	5.9
109.10142	41.4
111.08064	3.1
116.06178	1.7
117.07008	7.5
119.08561	19.0
121.10140	30.3
123.04412	10.8
123.08040	3.1
123.11697	19.2
125.09593	2.1
129.07002	2.0
131.08569	14.7
133.10094	15.8
135.11673	29.0
136.12000	1.9
137.05919	2.7
137.13261	7.9
139.11162	2.3
145.10106	19.5
147.04408	3.1
147.11649	12.7
149.05988	3.8
149.09552	1.7
149.13263	17.4
151.07593	1.8
151.14771	4.9
151.75993	1.5
157.10162	1.9
159.11667	16.1
161.02364	2.4
161.13235	11.4
163.14806	13.7
165.01874	3.9
165.12685	1.9
173.13264	16.3
175.14755	4.5
177.01860	2.0
177.05659	1.9
177.12701	2.0
177.16371	5.9
179.14357	2.7
183.02846	4.5
187.14813	10.4
191.03383	1.7
191.07118	2.0
191.14232	2.7
201.05437	2.3
201.16354	3.9
205.15886	1.9
208.03764	2.3
209.13380	1.6
219.06531	9.4
219.17427	1.9
221.29507	1.5
233.22675	4.6
243.21077	24.7
261.22131	93.2
262.22409	5.9
263.23737	2.0
267.06699	2.1
279.09933	1.9
279.23169	5.5
281.04404	2.2
283.09573	4.1
299.05472	4.1
309.07623	1.8
311.05350	4.4
311.09033	2.0
317.24545	4.1
335.09033	6.1
335.12640	2.3
335.25845	17.8
338.07562	1.8
353.10129	95.0
353.13770	6.2
353.26917	30.7
354.10379	14.9
354.14005	2.2
354.26807	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.42595	1.4
53.03944	3.3
55.05503	17.6
57.03426	6.5
57.07061	3.9
65.03947	3.6
66.11156	1.6
66.11501	1.6
67.05499	100.0
68.05814	1.5
69.07069	12.8
69.08662	1.4
69.94592	8.7
71.04990	1.9
71.08632	1.8
78.07441	1.4
79.05487	39.9
79.05948	1.9
81.07049	99.0
83.08614	6.5
91.05473	22.9
93.07040	59.7
93.07623	3.2
95.04967	3.7
95.08598	68.5
97.06512	2.7
97.10148	3.7
99.08064	1.8
105.07026	18.1
105.94727	1.5
107.08586	30.6
108.03436	1.8
109.10148	34.7
111.08069	2.3
115.38428	1.9
117.07025	7.4
117.48653	1.9
119.08575	13.3
121.10136	26.9
123.08051	1.9
123.11697	17.6
131.08569	16.6
133.10094	10.2
135.11682	22.2
136.12036	1.6
137.09666	1.5
137.13263	6.0
139.11137	2.2
145.10123	11.3
147.11639	7.4
149.13268	13.0
151.14873	1.9
159.11687	6.8
161.13293	7.9
163.14784	9.3
173.13242	10.8
175.14848	2.0
177.16377	2.3
187.14824	6.5
194.66429	1.6
201.16380	3.0
243.21068	18.9
261.22119	65.6
262.22476	2.1
279.23309	4.1
299.01169	2.1
335.25778	12.2
353.26828	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67123	0.9
53.03932	2.2
55.05507	12.9
57.03428	3.6
57.07068	4.7
65.03921	2.9
67.05499	88.0
69.07059	11.6
69.65495	3.6
69.65932	3.8
69.67799	1.1
71.04971	3.1
79.05486	44.7
80.05815	1.3
81.07050	86.2
83.04980	1.7
83.08625	6.2
85.06528	2.7
91.05471	20.4
93.07037	58.3
94.07367	1.0
95.04932	3.6
95.08599	62.3
96.08900	1.6
96.37585	1.0
97.06499	2.4
97.10140	3.5
99.08076	3.2
105.06377	1.3
105.07024	16.1
107.08588	33.1
108.75455	1.0
109.06530	1.5
109.10152	33.2
113.09657	2.1
117.07008	10.0
119.08573	13.7
121.10128	31.3
123.08002	1.4
123.11700	18.9
125.97397	0.9
131.08554	19.8
133.10121	13.1
135.11681	24.3
135.97585	0.9
137.13232	8.2
138.86864	1.0
139.11096	1.1
145.10117	15.4
147.11650	9.6
149.13231	19.1
151.11104	1.4
151.14822	2.1
151.35075	1.0
156.34839	1.0
159.11711	12.1
161.13229	7.9
163.11287	1.5
163.14821	13.4
165.12715	1.6
173.13246	14.4
175.14812	2.9
177.12741	1.5
177.16351	3.6
179.14307	2.8
187.14792	7.6
191.14291	2.5
201.16341	2.3
204.54170	1.0
205.15834	1.3
215.17834	1.4
233.22667	5.3
240.70724	1.1
243.21040	23.3
244.21286	1.4
261.22122	100.0
262.22427	6.4
279.23148	4.6
335.25702	8.3
353.26840	35.6
354.27237	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.5
57.03419	3.2
57.07056	5.1
61.87452	1.6
65.03941	2.4
66.60756	1.8
67.05498	82.2
69.07068	15.5
69.40765	17.0
69.41172	4.0
71.04988	2.7
79.05483	45.7
81.07048	88.6
82.07379	1.8
83.08598	7.3
91.05466	19.6
93.06465	4.0
93.07034	59.6
95.04970	4.4
95.08596	59.7
97.06531	4.1
97.10157	3.8
99.08028	4.4
105.07039	17.1
107.08582	37.1
109.10144	31.0
111.08067	2.5
113.09544	1.8
117.07001	9.2
119.08564	13.0
120.08693	1.7
121.10133	27.1
123.11690	17.7
131.08554	18.3
133.10147	15.3
135.11667	25.8
137.13222	8.2
145.10088	12.3
147.11646	9.3
148.11913	2.2
149.13243	19.4
153.12656	2.6
157.52127	1.7
159.11699	15.3
161.13235	9.7
163.14828	12.1
173.13257	14.9
175.14775	4.7
177.16437	3.7
187.14798	7.6
201.16444	3.9
233.22652	5.5
243.21078	25.1
244.21555	1.8
261.22116	100.0
262.22458	6.3
279.23199	3.9
335.25745	8.5
353.10117	4.3
353.26865	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	1.7
55.01869	2.7
55.05505	8.7
57.03432	4.4
57.07062	4.8
67.05499	61.8
69.07056	10.7
69.42731	5.5
69.43149	13.9
71.04982	4.1
71.08630	2.1
74.06057	2.2
79.05489	30.0
81.07051	80.7
83.08606	6.0
85.06539	4.3
91.05471	14.9
93.07032	42.8
95.08600	61.2
97.06516	2.9
97.10164	3.7
98.20736	3.5
99.08092	2.0
104.05748	2.0
105.07034	16.6
107.08595	29.2
109.10151	31.7
111.08093	2.3
113.09627	3.8
115.05509	1.9
117.07002	7.2
119.08565	11.8
121.10127	29.7
122.10383	2.8
123.04414	2.2
123.11709	18.2
125.09624	2.7
127.69867	2.0
128.99576	1.9
131.08562	18.4
133.10153	10.4
135.11688	24.2
137.09657	2.1
137.13232	8.3
145.10110	14.2
147.11703	11.0
149.13237	20.4
153.05441	4.3
159.11722	9.4
161.13310	10.6
163.14836	13.1
173.13194	13.5
175.14809	5.4
177.01938	1.8
177.16371	5.6
179.11551	1.8
187.14796	9.9
201.16454	2.5
227.90128	1.9
233.22623	5.4
243.21077	31.2
261.22119	100.0
262.22552	5.8
279.23050	5.3
293.26712	1.8
335.25726	16.2
353.10129	3.5
353.13898	2.2
353.20303	2.1
353.26813	36.1
354.27139	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	1.1
55.01851	1.3
55.05261	1.0
55.05506	15.1
57.03428	6.5
57.07088	3.7
57.97026	0.7
65.03912	2.9
67.05498	89.8
68.05809	1.8
69.06718	1.0
69.07064	14.7
69.49107	6.9
71.04968	2.6
71.08615	1.9
75.04473	1.4
79.05486	39.5
80.05801	1.6
81.07048	100.0
82.07372	1.6
83.04945	2.5
83.08608	7.0
85.06538	2.5
91.05476	19.9
91.06012	0.8
93.07034	51.5
94.07341	1.4
95.04951	3.1
95.08597	70.5
96.08922	2.7
97.06519	2.4
97.10172	3.8
99.08068	2.0
105.06374	1.2
105.07024	14.9
107.04937	1.0
107.08584	34.9
108.08912	1.1
109.06505	2.2
109.10146	35.9
109.29642	0.7
110.10461	1.4
111.08086	1.9
113.09643	1.7
117.06999	8.4
119.08564	13.5
121.06487	0.8
121.10139	30.6
122.10439	1.5
123.08074	2.0
123.11700	18.9
131.08556	17.7
133.10114	13.2
135.07927	0.8
135.11673	23.8
136.11981	1.1
137.09624	1.2
137.13245	7.6
139.11137	1.8
145.10109	13.9
147.11671	10.3
149.09595	1.0
149.13237	19.0
149.14363	1.5
150.13573	1.7
151.11145	1.9
151.14806	1.5
153.12743	1.5
159.11684	12.1
161.02420	0.9
161.13222	10.3
163.11214	0.9
163.14828	12.5
165.01843	1.4
165.12759	1.9
173.13242	13.5
174.13559	0.9
175.14798	3.0
177.01848	1.5
177.12755	1.1
177.16280	4.2
178.13303	0.8
179.14320	1.5
187.14806	9.0
188.15085	1.0
201.16376	3.0
205.15866	1.8
209.15292	0.9
215.17949	0.9
219.06470	3.7
219.17532	0.9
223.16899	1.2
233.22600	3.6
243.21062	22.9
244.21373	2.0
246.01636	0.7
261.22122	89.5
262.22455	5.5
263.23608	1.5
279.23187	6.6
281.04608	0.9
283.09656	1.1
299.05515	3.2
311.05688	1.0
317.24728	1.2
335.09097	0.9
335.25784	15.5
336.26129	1.4
338.07794	1.0
353.10172	37.4
353.26813	29.6
354.10379	4.9
354.27194	2.4
361.55701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44764	1.0
52.96810	1.1
53.03940	1.9
55.05507	13.3
57.03425	3.3
57.07063	4.5
58.27328	1.2
65.03930	1.7
67.05502	78.0
68.05808	2.3
69.07066	11.8
69.44381	4.6
69.44807	7.6
71.04983	2.1
71.08633	2.3
75.04462	1.3
78.10986	1.3
79.05489	38.1
81.07054	82.2
82.07372	1.7
83.04966	1.2
83.08604	5.3
85.06533	4.2
89.34536	1.1
91.05477	20.1
93.07039	55.7
94.07362	1.5
95.04970	3.9
95.08602	57.2
96.08910	2.0
97.06518	3.7
97.10166	3.4
99.08053	2.3
105.07028	14.0
107.08583	39.4
109.06495	1.9
109.10148	30.3
110.10474	1.4
110.90414	1.5
111.08084	2.4
113.09636	1.9
117.07008	9.5
119.08583	13.8
121.09315	1.9
121.10138	31.2
123.08054	1.3
123.11716	16.8
125.09603	1.6
131.08569	22.2
133.10133	11.6
135.11676	26.4
137.09633	2.0
137.13271	6.9
145.10124	17.1
147.11682	12.5
149.13248	19.1
151.11151	2.7
153.12773	1.5
159.11665	13.6
160.55975	1.3
161.13271	9.5
163.11227	1.5
163.14810	12.1
164.15135	1.3
173.13277	17.7
175.14777	3.7
177.12811	1.8
177.16389	4.6
179.14331	2.6
187.14821	8.9
201.16357	2.8
219.17574	1.3
220.41875	1.4
233.22617	4.0
243.21072	27.7
244.21439	2.6
261.22137	100.0
262.22482	6.3
279.23148	3.9
335.25790	8.2
353.10101	1.7
353.26871	30.8
354.27213	2.4
355.95306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
63.40605	0.3
67.05495	1.5
68.99774	0.5
69.03410	0.7
69.07050	1.3
69.76360	2.5
79.05472	1.1
81.07059	3.0
83.08625	0.4
85.06498	0.4
91.05466	1.1
93.07024	1.3
95.04935	1.1
95.08588	2.0
97.06535	0.7
97.10149	0.4
105.07050	1.6
107.04968	0.6
107.08577	1.4
109.02876	0.5
109.06480	0.8
109.10152	1.5
117.07016	0.5
119.08555	1.2
121.06483	0.4
121.10118	1.3
123.04420	2.7
123.08046	0.4
123.11730	0.6
131.08557	0.4
133.10124	1.1
135.11667	0.7
137.02385	0.3
137.05974	0.4
141.07074	0.3
143.08490	0.4
145.10104	0.9
147.04427	0.6
147.11710	0.9
149.05978	0.8
149.09605	0.6
149.13210	0.4
151.11153	0.7
153.01819	2.0
153.05482	0.3
161.09586	0.3
161.13203	0.4
163.11234	0.5
167.07036	1.0
169.86662	0.4
171.08031	0.4
173.09583	0.4
173.13213	0.5
175.14828	0.6
177.05444	0.4
191.07047	0.9
191.10611	0.6
199.07571	0.5
217.04999	0.4
217.08633	0.7
231.06403	1.7
243.14464	0.4
261.09174	0.7
263.06894	0.3
271.14078	0.5
281.08096	0.4
283.09558	0.3
307.09772	0.5
311.05417	0.4
317.21347	0.4
320.06931	0.4
321.11166	0.9
324.06659	0.4
325.10587	0.6
335.09201	4.1
335.21964	0.4
335.25812	0.4
336.09598	0.4
338.07608	0.6
353.10135	8.4
353.22961	100.0
354.10434	1.2
354.14236	0.6
354.23175	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	353.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41899	0.4
52.77542	0.5
53.03925	1.5
55.01861	0.9
55.05506	2.8
57.03436	2.1
57.07065	0.9
58.06557	0.5
60.04501	0.5
61.02914	1.1
66.30212	0.5
67.05500	2.3
69.03424	15.6
69.07065	13.7
70.06241	0.6
70.06588	5.0
71.04977	1.5
71.62406	0.6
72.04494	1.9
72.07748	0.5
72.08150	8.3
73.02895	1.8
73.08485	0.6
79.05494	3.1
81.03420	2.4
81.07057	4.6
83.04975	2.9
83.08608	1.5
84.04515	0.8
84.08137	5.6
84.24700	0.5
85.02899	11.7
85.06541	1.5
86.09696	7.7
87.04451	0.5
89.10789	1.0
90.79385	0.4
91.05022	0.5
91.05481	4.6
93.07035	4.6
95.04950	1.2
95.08593	5.3
96.87154	0.4
97.02887	3.7
97.06519	1.2
98.06041	1.1
98.09683	3.8
98.97591	0.5
99.04433	1.2
103.03916	0.7
105.07030	4.4
106.04997	0.9
107.04945	1.9
107.08582	8.9
109.02855	2.4
109.06530	2.7
109.10151	1.0
110.02392	0.7
110.07146	0.6
110.09679	0.7
111.08078	3.9
111.20411	0.4
112.06435	0.4
112.07491	0.5
114.10283	1.0
115.05463	0.6
115.08666	0.9
117.06969	1.1
119.03368	0.5
119.04903	2.8
119.08566	5.5
121.02861	0.5
121.06499	2.5
121.10127	7.6
123.04420	1.1
123.08069	3.6
126.20749	0.5
127.03876	3.2
129.06976	0.9
129.10216	1.8
131.04922	0.6
131.08549	7.8
133.06450	1.0
133.10117	6.3
135.08046	13.8
135.11687	3.1
136.07492	0.5
137.05939	1.0
137.09596	0.7
143.08545	1.7
145.04944	1.3
145.10127	3.2
147.04402	14.8
147.08029	0.6
147.11725	2.4
148.04753	0.7
149.09593	5.6
149.13261	2.9
150.10405	0.5
152.07071	0.6
158.10892	3.4
159.07860	0.5
161.09581	0.6
161.13261	0.5
163.14807	4.1
165.64905	3.8
167.07007	3.5
173.13254	16.3
175.03780	0.7
175.07556	0.6
175.14813	1.2
177.05450	1.0
185.02934	1.1
187.08672	0.5
191.14291	100.0
192.10178	11.5
192.14639	1.9
199.18098	1.4
207.06447	1.0
209.15485	0.9
215.14214	0.5
218.11710	0.9
219.08031	1.1
223.14484	0.8
237.08948	0.5
247.07458	0.5
261.16132	0.5
265.08481	1.4
267.17233	0.5
298.07199	0.5
321.11053	0.6
330.28906	0.9
336.15823	0.9
353.13382	1.0
353.19662	14.2
354.15619	0.8
354.19867	0.7
359.70636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87857	1.2
51.10819	1.4
53.03943	3.3
55.01866	1.9
55.05508	17.1
56.01376	2.0
59.05035	1.2
61.53158	1.3
67.05485	1.6
69.03426	6.0
69.07057	3.5
70.06584	8.7
71.04963	2.6
71.62540	1.6
71.62894	1.7
72.08152	100.0
72.94869	1.7
73.06583	1.9
77.46789	1.4
79.05494	2.2
80.04958	2.0
81.03425	4.6
81.07045	3.6
83.04963	2.4
84.04499	1.8
84.08138	4.8
85.02901	6.5
86.06071	1.5
86.09685	2.9
89.10787	18.6
91.05466	3.9
93.07029	2.1
95.04984	2.3
96.08122	4.1
97.02884	5.2
97.06506	1.4
98.06052	70.2
98.09695	3.1
98.97571	2.0
99.04445	8.4
100.07593	1.7
105.07062	3.3
107.04933	9.4
107.08616	2.9
109.02890	1.9
109.10192	1.9
110.07196	2.2
111.08080	1.5
112.07645	1.6
115.03952	2.0
115.08685	50.1
116.98633	3.2
117.07008	1.9
119.08581	2.6
120.08070	2.6
121.02873	2.0
121.06477	1.5
122.06054	1.5
125.02341	2.3
127.03917	3.8
131.04941	2.4
131.08585	3.4
133.06468	3.9
137.05966	1.7
143.03429	3.0
144.05664	2.0
145.06476	4.6
147.04459	2.5
147.08032	7.6
150.09061	1.8
152.07079	3.4
157.06479	12.4
159.08057	1.9
161.05984	2.7
173.05988	2.9
175.07559	2.7
176.10695	5.5
178.08598	1.6
185.05966	6.6
193.13248	3.0
196.09715	5.4
201.05424	2.1
203.07011	4.9
214.10802	2.1
215.14235	1.5
216.06642	2.3
219.06435	1.7
224.09026	1.6
235.14430	2.9
237.09138	1.6
246.07626	1.7
258.11267	3.3
269.05630	1.7
293.18607	10.4
299.14081	3.4
311.06421	3.9
317.14847	3.0
318.13315	11.8
335.16003	47.5
335.19955	3.7
336.14664	2.6
352.69241	2.8
353.12872	2.7
353.17029	37.1
353.20749	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	353.1381
Annotation	7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
53.03942	0.3
55.01869	0.6
55.05496	0.8
57.64194	0.3
59.87700	0.3
65.03942	0.5
67.05165	0.5
67.05502	7.0
68.99799	0.3
69.03400	0.3
69.07064	1.2
70.36504	0.4
70.36907	0.9
74.06065	1.1
75.06408	0.3
79.05502	2.3
81.07051	4.8
83.04951	0.4
83.08595	0.7
91.05477	1.8
92.07111	0.5
93.07029	2.6
95.04362	0.4
95.04964	7.1
95.08605	3.4
97.10143	0.3
99.08074	0.3
105.07011	1.4
107.04939	1.2
107.08591	2.1
109.06503	0.3
109.10144	0.9
117.07001	0.9
119.04929	0.6
119.08559	0.9
121.06535	0.3
121.10126	2.1
123.04420	100.0
123.11691	1.1
124.04742	3.1
131.08586	1.6
133.06444	0.3
133.10069	0.5
135.04404	1.3
135.11688	1.2
137.05835	0.3
137.13281	0.5
143.08554	1.0
145.06592	0.4
145.10100	1.1
147.04396	6.8
147.11665	0.9
149.05956	1.3
149.13266	1.2
153.05482	1.3
155.08571	0.3
159.08046	0.8
159.11670	0.8
161.05995	0.8
161.13266	0.5
163.03882	1.5
163.14822	0.7
164.04639	0.3
171.07965	0.8
173.09663	0.4
173.13280	0.9
175.07458	0.5
175.14836	0.5
177.05444	0.6
185.97523	0.3
186.06714	0.3
187.07527	1.0
187.14848	0.6
189.05385	0.4
189.09109	1.8
199.07570	0.9
201.09084	0.9
201.16415	0.4
205.08662	0.4
219.10161	10.9
220.10524	0.8
229.08554	0.5
231.10155	5.5
243.10109	0.5
243.21120	1.5
250.84418	0.3
261.22147	4.2
272.30319	0.3
293.11914	0.3
297.07300	0.4
307.09647	0.4
323.05804	0.3
323.09195	1.2
332.15494	0.6
334.65109	0.3
335.25836	0.7
353.10352	1.6
353.13815	37.3
354.14200	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	353.138
Annotation	7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
51.02369	0.3
51.37189	0.2
52.02781	0.2
53.03940	0.4
53.53713	0.3
55.01864	0.8
55.05504	0.9
56.96570	0.3
57.03424	0.4
57.56099	0.2
60.76479	0.2
61.86435	0.2
65.03928	0.7
67.05499	7.2
68.99790	0.8
69.07050	1.0
70.16628	1.1
70.91615	0.3
71.04983	0.2
79.05482	2.4
81.03373	0.2
81.07050	4.5
83.08637	0.5
86.14659	0.2
91.05476	2.1
93.07031	2.8
95.04963	5.9
95.08595	2.9
97.06535	0.3
99.08084	0.3
105.07013	1.5
107.04953	1.5
107.08587	2.0
109.06494	0.4
109.10140	1.4
113.71460	0.3
117.07003	1.1
119.04916	0.4
119.08564	1.2
121.06493	0.7
121.10132	1.3
123.04417	100.0
123.11704	0.9
124.04740	2.3
129.06961	0.3
131.04912	0.5
131.08548	1.3
133.06502	0.3
133.10118	0.5
135.04428	1.3
135.11713	1.0
137.05989	0.4
141.06895	0.2
143.08545	1.2
145.06485	0.6
145.10114	0.9
147.04387	8.1
147.11630	0.7
148.04738	0.3
149.05954	1.8
149.13280	0.7
153.05469	4.6
153.06696	0.3
159.08057	0.9
159.11688	0.8
160.82349	0.3
161.05975	0.8
161.09686	0.5
161.13309	0.3
163.03918	1.0
163.14810	0.9
164.04675	0.5
171.07980	1.5
173.05933	0.3
173.09601	0.3
173.13240	0.5
174.06760	0.5
175.07553	0.5
177.05487	0.7
177.16502	0.3
183.08002	0.4
187.07550	1.4
187.14772	0.5
189.05450	0.8
189.09097	2.8
191.07004	0.4
191.10596	0.6
199.07512	1.1
201.09050	1.4
203.07028	0.6
203.10603	0.3
205.08603	0.4
219.10155	10.2
220.10518	0.6
229.08559	0.6
231.10130	4.2
232.10358	0.3
243.10231	0.5
243.21069	1.4
244.10686	0.3
261.22134	3.0
275.10474	0.3
283.05933	0.2
299.05771	0.4
307.09760	0.4
308.06308	0.3
309.07565	0.4
323.09082	0.8
335.09088	0.3
335.25800	0.5
353.10178	2.8
353.13821	35.4
354.10376	0.5
354.14203	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	353.1381
Annotation	Neorautane
Peak:m/z	Relative Intensity
50.90640	0.3
51.79299	0.3
53.03936	0.5
55.05501	1.1
57.07056	1.3
65.03931	0.6
67.05502	1.7
69.07050	1.6
69.07382	0.4
69.38173	1.7
69.38609	1.8
71.08612	0.4
72.08123	0.4
74.46841	0.3
79.05465	1.2
81.03421	2.3
81.07061	2.9
83.04967	1.1
83.08606	0.9
91.05461	1.0
93.07024	2.3
94.25198	0.4
95.08595	3.1
97.06551	0.4
97.10168	0.5
105.07021	1.2
107.04952	0.6
107.08582	1.6
109.10139	1.7
111.04432	0.4
111.08086	0.3
119.04939	1.7
119.08565	0.8
121.02863	5.0
121.10114	1.0
123.08087	0.5
123.11741	0.8
125.09610	0.4
131.08589	0.5
133.10136	0.7
135.11671	1.4
137.13260	0.5
139.03862	1.4
145.10104	1.0
147.04399	0.6
147.11615	0.3
149.02348	2.6
149.13245	0.4
151.11168	0.5
153.06863	0.5
155.08516	0.9
159.11673	0.6
161.13289	0.4
165.07019	1.7
167.03404	0.7
173.13217	0.5
183.08018	1.5
193.04993	1.7
211.07512	2.4
221.06036	0.6
223.20511	1.0
238.67317	0.6
239.07008	3.5
241.05029	0.4
251.19989	0.8
254.05710	1.2
261.22159	1.4
267.06506	33.6
268.06836	2.2
279.19626	1.4
282.05280	1.7
289.25082	0.5
297.07556	100.0
298.07947	5.0
317.24817	0.9
324.70071	0.4
335.25800	1.3
353.10089	0.8
353.13828	7.7
353.29410	4.1
353.79562	1.7
354.13901	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1378
Annotation	Edulenanol
Peak:m/z	Relative Intensity
51.49188	1.0
53.03939	1.3
53.10614	1.0
55.01860	1.8
55.05505	2.9
57.03423	1.3
65.03927	1.3
66.60804	1.0
67.05499	8.4
68.99777	2.4
69.03408	2.9
69.07058	3.3
70.78425	1.3
70.78783	3.1
71.04964	1.4
71.42950	1.2
75.51887	1.0
79.05473	4.5
81.03405	1.4
81.07061	10.5
83.04963	2.0
85.02883	1.6
85.06528	2.9
86.17603	1.0
91.05475	12.8
93.07034	7.7
95.04951	10.1
95.08595	7.6
97.02910	1.4
103.05476	1.4
105.07023	5.9
107.04929	6.0
107.08583	4.6
109.02804	1.2
109.06505	3.9
109.10157	6.0
111.08076	1.5
115.05418	2.4
117.06989	3.1
119.04925	3.9
119.08559	7.3
121.02818	1.7
121.06479	6.9
121.10124	4.3
123.04416	92.8
123.07988	1.8
123.11693	3.2
124.04741	2.0
128.06236	5.2
129.06981	4.3
130.07771	1.8
131.04895	2.1
131.08524	7.7
133.06459	3.3
133.10100	3.3
134.03600	6.7
135.04379	2.4
135.08025	2.8
135.11674	2.5
137.02345	1.8
137.05968	3.9
137.13217	1.2
141.06989	3.4
142.07806	1.1
143.08533	8.1
144.05699	1.7
145.06459	5.8
145.10106	4.0
147.04396	99.6
147.08034	6.1
147.11678	3.0
148.04762	3.0
149.02347	1.1
149.05994	5.9
149.09599	1.6
151.03847	1.3
151.11148	2.1
153.05435	3.1
153.06967	2.3
157.06471	1.9
157.10039	2.0
158.07198	2.6
159.08061	5.7
159.11664	2.6
161.02359	2.0
161.05934	5.5
161.09554	2.2
161.13248	1.1
162.06665	1.6
163.07524	2.9
163.11147	4.1
163.14813	1.9
165.01830	1.8
165.06955	1.5
167.07013	3.5
168.85806	1.1
169.06473	3.9
170.07159	1.2
171.08034	15.9
173.05954	7.2
173.09573	3.2
173.13284	1.2
174.06677	1.4
175.07497	3.7
176.08310	5.3
177.05487	2.3
177.09053	1.4
179.03343	1.4
181.06517	4.9
181.37523	0.9
183.02847	1.7
183.07933	1.6
184.05194	2.1
185.05922	3.3
185.09537	1.3
186.06761	2.9
187.03857	2.1
187.07541	6.6
187.14818	1.2
189.05424	5.3
189.09143	2.4
191.07054	5.7
191.10641	29.0
195.08096	1.4
195.11784	1.3
199.07521	15.7
200.08022	1.3
201.05452	1.6
201.09134	5.7
203.07074	1.5
204.07823	4.0
205.08572	8.7
207.10173	1.7
209.06032	2.5
211.07487	2.6
213.05409	3.1
213.09152	1.4
217.04958	3.4
217.08583	1.8
218.07137	1.2
219.06497	4.5
219.10117	39.3
220.10497	2.1
225.05403	2.0
226.06160	2.5
228.07750	2.6
229.08563	1.6
231.06491	21.6
231.09933	6.0
232.08844	1.1
233.09657	1.4
237.05357	7.1
237.09229	1.6
243.06416	8.4
243.10104	18.9
247.07478	1.4
251.06781	2.0
251.10664	1.7
253.05086	1.6
254.05702	1.3
261.09109	2.5
265.04950	8.8
265.08493	2.4
269.07944	1.8
275.10571	1.1
278.09341	1.2
279.06586	1.2
279.10101	4.1
281.04425	2.4
282.05237	13.1
283.05814	6.5
289.08536	2.3
290.08994	1.2
291.06564	1.5
293.08145	2.6
293.11386	1.5
295.05911	2.5
297.07541	66.3
298.07983	3.9
299.05435	4.1
303.09909	1.1
305.07974	1.7
306.08780	1.8
307.09613	7.6
311.05478	1.8
311.08981	1.3
313.07034	2.9
320.06693	1.1
321.11127	4.2
323.05472	4.1
323.09100	2.9
325.07074	2.2
335.09100	61.8
335.25629	2.2
336.09415	4.7
338.07693	3.0
338.11319	1.2
353.10068	81.2
353.13846	100.0
354.10422	9.6
354.14014	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	353.1016
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
53.03936	0.6
55.01859	0.8
55.05502	3.7
57.03422	1.2
57.07059	0.9
64.75917	0.4
65.03922	1.0
67.05496	22.9
67.72926	0.4
68.99786	0.5
69.07065	6.2
71.08620	0.9
71.62859	0.7
74.06056	1.9
74.57577	0.4
75.04462	0.4
78.33403	0.3
79.05480	10.0
81.07049	23.6
83.04962	0.6
83.08618	2.7
85.06524	1.1
91.05465	5.3
92.07112	2.2
92.99754	0.6
93.06458	0.9
93.07029	12.9
94.07356	0.6
95.04944	1.7
95.08598	17.8
97.06526	0.9
97.10142	1.4
99.08099	0.8
105.03376	0.9
105.07016	5.6
107.04925	1.1
107.08576	8.5
109.06532	1.0
109.09446	0.7
109.10147	9.6
111.08043	0.5
115.05393	0.5
117.07014	2.6
119.08556	3.8
121.02811	0.4
121.10118	7.8
123.04439	2.1
123.11696	5.3
124.19362	0.4
128.96837	0.5
129.06972	0.5
130.07813	0.5
131.08557	4.6
133.02838	1.1
133.10121	3.5
135.04430	1.2
135.08029	0.5
135.11684	5.7
137.02330	1.5
137.05946	0.5
137.13237	2.3
139.11197	0.6
141.01834	0.6
141.06926	0.5
143.08601	0.5
145.06461	1.3
145.10107	3.9
147.04439	1.0
147.11659	3.1
149.02290	0.8
149.13237	4.7
151.03868	0.9
151.07513	0.6
151.11266	0.5
151.14821	0.7
153.12689	0.5
157.10139	0.6
159.11674	2.8
161.02318	1.6
161.13239	2.4
163.03915	1.3
163.07516	0.7
163.14813	3.3
165.01842	1.3
167.03424	0.8
173.09689	0.6
173.13261	3.9
175.14804	1.4
177.01848	1.1
177.05470	0.6
177.16344	1.1
179.03334	0.5
179.14240	0.6
181.04939	1.1
183.02911	0.9
185.05933	0.7
187.14807	1.5
189.09081	0.8
191.14351	0.6
199.07596	0.4
201.05429	1.1
201.16348	0.8
211.07420	0.7
213.05508	0.7
215.17882	0.4
218.07271	0.5
219.06418	1.0
227.07088	0.8
229.04799	0.4
233.09521	0.8
233.22707	0.7
237.05510	1.0
239.06898	0.9
241.05069	0.6
243.21060	6.6
245.04388	0.4
249.05452	0.9
255.06448	1.0
261.09155	0.9
261.22116	21.8
264.07669	0.6
265.04935	0.8
267.06543	0.5
270.05249	0.8
271.05960	1.0
279.10114	0.8
279.23285	1.0
283.06021	5.3
285.07513	2.2
287.05533	0.9
291.62000	0.5
292.07214	0.7
293.04663	0.5
293.08002	0.5
295.05972	4.2
296.06674	0.5
297.07562	1.4
297.10907	0.6
298.25201	0.5
299.05453	19.7
300.05826	0.8
307.09741	1.0
307.13245	0.8
309.07550	1.0
311.05450	4.8
311.09103	1.6
313.07031	0.8
317.24554	0.5
320.06683	0.6
321.07556	0.6
321.11063	0.6
323.05402	4.0
323.08981	0.9
324.06332	3.8
325.06985	2.2
325.10480	1.0
335.09045	4.7
335.25589	3.5
337.07062	2.9
338.07700	4.9
353.10107	100.0
353.13901	36.8
353.26682	5.7
354.10477	6.3
354.14267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1018
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
53.03951	0.3
55.01868	0.6
65.03931	0.6
67.05490	1.2
68.99781	1.7
70.89655	0.6
79.05489	0.8
81.07069	2.2
83.04948	0.4
91.05469	0.7
93.07023	0.5
95.08564	0.7
97.08413	0.3
101.95616	0.3
103.05421	0.3
105.00036	0.3
105.03355	0.8
105.07015	1.1
107.04949	2.0
107.08565	0.6
109.02885	0.4
109.06510	2.7
115.05441	0.4
117.07008	0.6
121.02847	1.0
121.06506	0.5
123.04397	0.9
123.08066	1.0
134.03603	1.0
135.04396	1.1
137.02344	0.5
141.01823	1.0
141.06992	0.3
145.06454	1.1
148.05179	0.6
149.02296	1.8
149.05975	0.9
151.07462	0.4
153.05513	0.4
159.04399	0.6
161.02364	3.4
163.03828	0.6
163.07536	0.4
165.01833	5.1
167.03383	1.2
173.05927	0.8
175.03958	0.3
176.04669	1.3
177.01839	3.8
177.05418	1.5
179.03351	0.5
183.02875	3.8
185.05957	0.7
187.03844	0.3
189.01808	0.8
189.05283	0.4
190.02618	1.8
191.03374	1.6
191.07013	1.8
195.02904	0.4
195.06450	0.7
200.04700	0.4
201.05453	1.7
203.03329	0.8
204.04105	2.2
207.02924	0.4
208.03650	0.9
209.09633	0.5
213.05455	1.1
217.04878	0.4
219.04390	0.6
219.06508	11.0
222.05217	1.0
227.06947	0.8
229.04890	1.5
237.07567	1.2
239.07097	0.3
241.04906	1.6
243.06433	0.4
247.90141	0.3
251.06682	0.3
253.05054	0.4
255.06491	1.2
255.10118	2.0
264.07953	0.5
265.08640	1.5
267.06436	0.6
268.07263	0.9
269.11871	0.4
271.06113	0.5
275.34906	0.3
279.10223	0.7
281.04395	2.3
282.04883	0.3
283.06064	1.0
283.09625	4.6
292.07297	0.4
293.04590	0.4
293.08093	0.5
295.06046	0.4
297.07748	0.5
297.11188	1.2
299.05505	5.4
305.04568	0.5
306.05096	0.4
307.09619	1.1
311.05417	2.6
311.09113	1.4
317.08081	0.7
319.05942	1.0
320.06918	1.3
321.07617	0.3
325.06973	0.8
325.10641	0.9
335.09189	3.0
337.07095	0.6
338.07751	1.6
353.10168	100.0
354.10547	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	353.1016
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
51.55996	0.5
54.29399	0.5
54.82236	0.5
57.95645	0.5
61.72526	0.5
67.05479	2.1
68.99781	2.3
69.07057	1.5
70.23342	2.7
79.05470	1.8
81.03387	1.2
81.07059	5.1
89.52760	0.6
91.05477	1.9
93.07034	2.7
95.04968	0.7
95.08592	2.6
99.08097	0.6
105.03365	0.9
105.07032	2.2
107.04951	1.9
107.08553	1.3
109.06499	2.0
109.10145	1.2
115.05455	0.8
117.06974	1.2
119.08547	2.1
121.02811	1.2
121.06508	0.6
121.10126	1.1
123.04442	3.7
123.08047	0.8
123.11728	0.7
127.03965	0.6
131.08563	0.7
133.10103	1.5
134.03621	0.8
135.04369	0.9
135.11673	0.6
135.68784	0.5
137.02298	2.0
141.01828	1.3
143.08531	0.7
145.06487	1.5
145.10172	1.1
147.04390	1.7
148.05138	0.9
149.02296	1.3
149.05962	1.7
149.13214	0.7
153.05469	1.0
157.10107	0.7
161.02341	3.0
161.05934	0.8
161.09653	0.6
163.03880	1.1
163.07521	0.9
165.01848	4.5
167.03387	2.1
167.06978	0.6
173.05960	1.2
177.01833	3.6
177.05426	1.0
178.74138	0.7
179.03453	0.8
183.02869	5.2
185.05974	0.8
187.14810	0.6
190.02605	1.5
191.03383	1.8
191.06985	2.1
195.06500	0.8
199.07550	0.8
201.05455	2.3
204.04193	2.0
208.03644	1.0
209.09729	0.7
213.05460	1.0
219.06505	10.9
222.05310	1.6
227.06921	0.8
229.04927	1.0
237.13135	0.5
241.04967	1.9
253.04608	0.7
255.06473	1.4
255.10136	1.2
261.09158	0.7
265.05084	0.7
265.08542	2.1
269.07822	0.6
272.49026	0.6
277.04794	0.6
279.09991	0.8
281.04449	2.3
282.08780	0.6
283.06253	1.2
283.09622	3.8
292.07300	0.8
293.04456	0.8
293.07849	1.2
297.04086	0.6
297.11142	1.4
299.05466	4.4
306.05188	0.7
311.05377	3.6
311.09100	1.8
317.07932	1.2
320.06616	1.5
324.06464	0.7
325.06982	3.1
325.10696	1.6
335.09189	6.2
337.06778	0.7
338.07648	1.6
353.10147	100.0
354.10416	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	353.1016
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
53.03920	0.3
55.01868	0.4
55.05497	0.9
65.03929	0.4
67.05496	4.1
69.07039	0.7
69.39048	0.5
69.39461	2.4
79.05482	2.3
81.07051	4.7
81.20152	0.2
83.08589	0.3
91.05454	1.0
92.99751	0.5
93.07040	2.6
95.04957	0.4
95.08595	3.5
97.02901	0.2
97.10152	0.4
98.20691	0.4
105.03392	0.4
105.07023	1.3
107.04924	0.5
107.08575	2.0
109.10137	2.1
111.08072	0.4
117.06985	0.5
119.08573	1.0
121.10130	1.7
123.04414	0.7
123.11691	0.8
129.06961	0.3
131.08553	1.3
133.10135	0.8
135.04366	0.6
135.11641	1.1
137.02351	1.2
141.01794	0.2
145.06473	0.3
145.10103	0.7
147.04399	0.4
147.08121	0.3
147.11665	0.6
149.02280	0.5
149.05891	0.3
149.13239	0.9
151.03920	0.4
153.05402	0.3
159.11679	0.7
161.02362	0.8
161.13275	0.4
163.14799	0.6
165.01823	0.7
167.03362	0.7
169.06567	0.3
170.55606	0.2
173.06012	0.3
173.13240	0.8
177.01807	1.0
177.05457	0.4
179.03384	0.3
181.06543	0.3
183.02936	0.5
185.31454	0.3
187.14833	0.6
190.02592	0.4
191.03401	0.4
191.07083	0.4
191.14427	0.3
195.71217	0.2
197.06052	0.3
201.05472	0.9
205.10126	0.4
208.03627	0.3
209.06023	0.3
218.07256	0.3
219.06555	0.8
227.07043	0.6
233.09608	0.5
237.05453	0.6
239.43077	0.2
243.20932	1.2
245.04393	0.3
253.04788	0.3
255.06543	0.8
261.09134	0.9
261.22116	4.6
264.07736	0.4
265.04944	0.8
265.08505	0.3
269.08112	0.4
270.05112	0.2
271.05997	0.7
279.06876	0.2
279.10153	0.8
279.23135	0.4
281.04288	0.3
281.10718	0.5
283.06000	3.1
287.05457	0.4
289.08621	0.4
292.07361	0.5
293.04541	0.6
293.07986	0.4
295.06046	1.0
296.06808	0.2
297.07452	0.7
297.11011	0.5
299.05490	17.1
300.05841	0.5
306.05182	0.3
307.06082	0.3
307.09653	1.1
309.07681	0.7
310.04559	0.4
311.05460	4.7
311.09094	1.4
313.07022	0.3
317.08078	0.5
321.07587	0.9
323.05472	2.7
324.06204	3.1
325.07010	1.8
325.10764	0.7
335.09064	4.5
335.25827	0.6
337.06992	2.1
338.07819	4.6
353.10162	100.0
353.27008	1.4
354.10495	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1015
Annotation	Erysubin A
Peak:m/z	Relative Intensity
55.01855	1.1
55.05503	1.3
65.03918	1.2
67.05501	5.2
67.17408	0.4
68.99783	2.5
69.03407	1.3
69.07050	1.6
69.36072	4.4
71.04987	0.6
79.05483	3.3
81.07051	5.0
83.08640	0.6
85.06512	1.2
91.05464	4.9
93.07047	3.5
95.04955	5.9
95.08583	2.0
97.02889	0.7
97.06542	0.6
103.05419	0.9
105.03361	0.6
105.07024	3.6
107.04955	4.9
107.08585	2.1
109.06503	1.0
109.10139	1.8
115.05426	1.4
117.06995	1.5
119.04916	1.3
119.08582	2.9
121.06485	2.9
121.10123	1.4
123.04414	87.9
123.11732	0.6
124.04766	0.7
125.09598	0.6
128.06163	1.7
129.07010	2.6
131.04906	1.0
131.08553	2.1
133.06471	1.6
133.10118	1.6
135.04408	1.0
135.08084	0.7
135.11707	0.6
137.02327	1.6
137.05980	1.0
139.00285	0.4
143.08556	0.8
145.06479	1.8
145.10138	1.1
147.04402	4.1
147.08034	8.9
147.11670	1.0
149.02390	0.6
149.05968	4.2
149.09581	1.0
149.13243	0.7
153.05464	0.7
157.06444	2.2
159.04462	0.7
159.08046	1.7
159.11696	0.8
161.02319	1.0
161.05948	2.7
161.13271	0.9
163.03873	1.6
163.07518	2.1
163.11177	0.9
165.01849	1.1
167.07001	0.7
169.01392	0.7
171.04460	0.5
171.08003	0.6
173.05936	1.3
174.06776	1.0
175.03874	1.2
175.07538	3.7
177.01768	1.0
181.01308	1.7
183.02838	0.8
185.05946	2.3
187.03894	3.8
187.07523	1.5
189.01799	0.9
189.05447	4.2
189.09070	1.6
189.12753	0.5
191.07030	1.0
191.10588	0.5
195.08067	0.7
197.06067	0.8
199.07603	0.7
201.05432	1.7
203.07036	2.6
203.10614	1.0
204.04207	0.7
207.06367	0.7
209.09540	0.6
211.07541	0.6
213.05423	1.7
213.09077	0.6
215.06900	2.6
216.04149	1.9
217.04910	6.5
217.08522	1.6
218.07271	1.0
219.06419	2.2
219.10191	1.7
222.06790	0.5
225.05467	0.5
227.37370	0.5
228.04111	1.1
231.06493	38.6
231.10222	2.0
232.06790	0.9
235.05838	0.9
236.08237	1.7
237.09062	2.1
243.06491	11.3
245.04402	0.7
247.07486	0.6
250.06206	0.6
251.06973	0.8
251.10623	3.4
261.09137	1.9
263.06934	0.9
263.10812	0.8
264.07861	1.4
265.08582	2.5
275.06909	0.6
279.10098	5.6
283.09628	1.2
289.08597	1.7
291.06396	0.7
292.07318	1.5
293.08066	3.7
297.07477	1.0
299.05536	1.8
306.08954	0.7
307.09558	10.1
311.08865	0.7
317.08109	1.3
317.24640	1.0
319.05902	1.0
320.06793	0.9
321.11200	0.9
325.10477	0.8
335.09097	100.0
336.09464	4.0
353.10114	51.5
353.13895	8.6
354.10431	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	353.1014
Annotation	Erysubin A
Peak:m/z	Relative Intensity
51.69398	0.4
51.70752	0.4
61.47704	0.5
65.03883	0.5
65.34499	0.4
67.05450	1.2
68.99743	0.7
69.03339	0.6
69.07037	1.0
69.37219	4.7
79.01823	0.5
79.05428	1.3
81.07050	2.4
91.05405	1.6
92.09576	0.4
92.30540	0.5
93.06980	1.3
95.04894	1.2
95.08579	1.0
98.21528	0.9
103.05391	0.8
105.03355	0.9
105.06961	0.9
107.04871	1.5
107.08560	1.0
109.06455	0.8
117.03341	0.9
117.06948	0.6
118.04125	0.8
119.04906	0.8
119.08466	0.7
121.02813	0.9
121.06428	1.1
121.10120	0.9
123.04417	7.2
127.19701	0.5
131.04893	0.5
133.10059	0.7
135.04320	1.0
135.11578	0.5
139.11090	0.5
145.02879	2.5
145.06396	0.6
147.04427	2.7
149.02286	0.5
149.05978	3.8
151.03781	0.6
153.05380	0.5
157.06432	0.5
159.04320	0.4
161.02289	0.7
161.05942	0.6
161.09561	0.8
161.13210	0.6
163.03770	1.8
165.06931	0.5
171.34416	0.4
173.05949	0.7
174.03142	2.6
175.03873	0.9
175.07454	0.5
179.03339	1.1
179.08430	0.7
189.05392	0.8
189.07063	0.4
189.09001	1.4
193.04959	0.8
195.08057	0.8
199.03784	0.5
199.07397	0.6
202.02562	1.5
207.07962	1.0
213.05342	0.8
217.04951	1.1
217.08527	1.3
220.03719	2.9
231.10097	0.6
235.05920	1.9
241.04941	1.0
247.82599	0.5
263.06998	4.3
267.06549	0.9
268.07074	0.4
269.04416	1.2
279.06561	1.1
280.07156	0.5
281.08069	1.5
283.06320	0.9
283.09454	0.9
292.07300	1.4
295.05951	8.2
296.06644	0.9
297.03882	5.5
297.07458	1.7
299.05408	0.8
311.09106	61.3
312.09433	2.3
313.06802	0.7
319.05978	1.2
320.06769	11.7
335.09109	100.0
336.09509	5.4
353.06485	0.7
353.10135	12.7
353.13867	4.8
354.10651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1014
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
53.03935	0.4
55.01861	0.6
55.05506	1.4
56.96547	0.3
57.03427	0.3
57.07067	0.6
59.04992	0.4
65.03902	0.4
67.05499	3.3
67.96628	0.3
68.99783	1.0
69.03425	1.9
69.07056	2.7
70.80656	0.8
71.04988	0.4
72.32221	0.3
73.02916	0.3
79.05484	2.2
81.03408	0.7
81.07051	8.6
83.04961	1.1
83.08600	0.8
85.02879	0.9
85.06535	3.7
91.05470	4.0
93.07030	3.3
95.04966	1.5
95.08598	6.2
97.02872	1.0
97.06506	1.1
97.10136	0.6
99.04458	0.5
99.08084	0.8
101.05990	0.5
103.05438	0.5
105.03365	0.6
105.07024	2.8
107.04948	1.9
107.08576	3.4
107.57693	0.3
109.02846	0.5
109.06502	1.9
109.10146	3.7
111.04423	0.3
111.08074	0.8
111.11715	0.4
115.05421	0.3
117.07017	0.7
119.04932	0.8
119.08585	1.7
121.02857	0.8
121.06489	1.1
121.10123	2.2
123.04431	3.6
123.08051	0.9
123.11687	2.5
125.05963	0.7
125.09635	0.7
127.03089	1.6
127.03902	0.6
127.07523	0.3
129.05472	0.3
129.06982	0.7
131.04857	0.7
131.08557	1.1
133.02876	0.4
133.06479	0.8
133.10089	1.5
134.03627	0.4
135.04355	1.3
135.08037	0.4
135.11671	1.6
137.02347	0.5
137.13232	0.7
139.11153	0.3
141.01820	0.9
143.08502	0.5
145.06476	1.1
145.10120	0.7
147.04388	1.3
147.08022	0.5
147.11684	1.6
148.05176	0.3
149.02310	1.2
149.05914	1.1
149.09659	0.8
149.13249	1.8
151.07523	0.8
151.11156	1.0
153.05446	1.1
153.06859	0.3
153.12737	0.4
155.08492	0.3
157.06412	0.5
159.04407	0.6
159.08028	0.5
159.11667	1.0
161.02357	1.9
161.05971	0.5
161.09616	0.3
161.13168	0.5
163.00655	0.3
163.03995	0.4
163.07509	0.8
163.11169	0.7
163.14740	0.6
165.01839	3.1
165.09094	0.3
165.12782	0.4
167.03406	1.3
167.07076	1.5
167.08226	0.3
171.08061	0.5
173.05986	0.7
173.13165	0.3
175.03943	0.9
175.11159	0.4
175.14825	0.4
176.04688	0.9
177.01843	2.6
177.05475	1.8
177.16354	0.4
181.01228	0.3
183.02884	3.0
185.06013	0.6
187.03922	0.4
187.07593	0.4
189.01822	0.4
189.05403	0.7
189.09004	0.3
190.02567	0.8
191.00262	3.4
191.03378	1.0
191.07018	1.9
191.10703	0.5
191.17995	0.4
193.08594	0.6
193.12233	0.5
195.06458	0.3
197.11694	0.4
199.07579	0.6
201.05446	1.4
203.03378	0.5
203.06848	0.3
204.04202	1.4
207.06512	0.9
208.03607	0.5
209.09750	0.6
211.13263	0.3
213.05470	0.7
213.09033	0.4
217.05063	0.6
219.06494	10.6
219.08537	0.6
220.06926	0.3
222.05157	0.7
223.20525	0.3
225.12502	0.3
227.06929	0.4
229.04936	0.8
231.06496	0.9
233.09558	0.4
235.07773	0.3
237.05386	0.5
237.07329	0.5
237.09276	0.5
239.07037	0.4
241.04955	0.9
241.08392	0.5
243.06451	0.4
250.06281	0.3
251.10727	0.3
253.05157	0.7
254.05734	0.3
255.06516	1.0
255.10130	0.9
261.09259	0.7
263.07095	0.4
264.07666	0.4
265.05032	0.4
265.08649	1.0
267.06473	0.6
268.07394	0.6
269.11417	0.3
275.07062	0.4
279.06592	0.4
279.10107	0.7
281.04449	1.8
283.06003	3.5
283.09583	2.7
287.05484	0.5
289.08560	0.7
289.25464	0.6
292.07233	0.6
293.04495	0.5
293.08102	0.5
295.06024	2.9
297.07626	0.6
297.11044	0.7
299.05496	3.6
306.05252	0.3
307.05884	0.9
307.09698	0.9
307.26553	0.3
311.05450	2.4
311.09116	2.5
317.07999	0.8
317.24756	1.0
320.06723	1.2
321.07706	0.4
321.11227	1.6
323.05484	0.6
323.09113	0.5
324.06192	0.5
325.07257	1.3
325.10687	1.0
335.05151	0.5
335.09119	7.1
335.22296	0.4
335.25732	2.2
337.07043	0.6
338.07913	1.8
353.06638	4.6
353.10153	100.0
353.13693	4.5
353.27029	1.9
354.10474	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	353.1015
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
55.05479	0.3
55.71779	0.2
57.03440	0.2
57.07052	0.2
59.05002	1.0
62.06049	0.2
67.05499	1.2
68.99776	0.3
69.07039	0.6
70.07137	0.9
79.05471	0.8
80.05013	0.2
81.03407	0.3
81.07041	1.7
83.01330	0.2
83.04954	0.2
83.08610	0.4
89.03963	0.2
91.05470	0.8
93.07011	1.0
95.04964	0.3
95.08573	0.8
105.07007	0.7
107.04900	0.6
107.08580	0.7
109.02825	0.2
109.06478	0.3
109.10090	0.4
117.06998	0.4
119.04909	0.4
119.08538	0.8
121.02833	0.7
121.10133	0.7
123.04416	1.1
123.08050	0.3
128.06184	0.3
129.06982	0.3
131.08571	0.3
133.02829	0.3
133.10118	0.4
134.03627	0.3
135.04373	0.4
135.11667	0.5
137.02351	0.8
141.01823	0.3
143.08562	0.5
145.06454	0.4
145.10121	0.5
147.04387	0.6
147.11646	0.4
149.02391	0.3
149.06064	0.2
149.13226	0.3
153.01781	0.2
153.05504	1.0
153.06749	0.2
157.10066	0.2
159.04350	0.3
159.11649	0.4
161.02316	0.5
163.03899	1.1
163.07518	0.4
165.01874	0.4
165.06993	0.3
169.06535	0.3
171.08041	0.5
173.02361	0.4
173.13245	0.3
176.04648	0.2
177.01799	0.8
177.05446	0.3
179.03412	0.2
183.02846	0.3
183.08043	0.2
185.05923	0.2
189.05421	0.3
189.09106	0.7
191.03392	0.2
191.07004	0.5
197.05904	0.4
199.02330	0.2
201.05383	0.3
203.06955	0.3
203.10672	0.6
207.02925	0.3
211.07439	0.4
213.05490	0.2
218.07336	0.3
219.06570	0.4
221.05869	0.2
231.06621	0.3
233.09610	0.5
233.15385	0.2
235.05936	0.8
237.05420	0.2
239.06978	1.1
245.04291	0.2
251.06889	0.2
255.06456	0.4
255.10201	0.2
261.09106	0.6
261.22095	0.4
265.05072	0.3
265.08517	0.2
267.06439	1.2
269.04367	0.3
271.05890	0.5
277.05005	0.5
279.06216	0.2
279.10156	0.3
282.08829	0.2
283.06015	2.8
287.05322	0.4
289.08612	0.4
293.08072	0.4
295.05978	18.1
296.06430	0.9
297.03900	0.7
297.07617	0.6
297.11166	0.6
299.05466	8.7
307.06006	0.3
307.09564	0.5
309.07507	0.4
310.04800	0.4
310.08200	0.4
311.05469	2.4
311.09125	0.9
313.06949	0.2
320.06815	0.3
321.07535	1.2
322.08295	0.5
323.05518	2.0
323.08972	0.4
324.06229	1.8
325.06882	0.7
325.10690	1.0
335.09109	4.0
335.24640	0.2
336.09811	0.4
337.07040	2.7
338.07779	5.4
339.08218	0.3
353.10141	100.0
354.10513	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	353.1015
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
52.31018	0.2
55.01859	0.5
55.05489	0.5
65.03918	0.6
67.05497	1.2
68.99780	1.5
69.03403	0.5
69.07043	0.8
69.32874	1.2
69.33298	1.4
72.08155	0.4
79.05463	0.9
81.03415	0.5
81.07048	3.1
83.04947	0.5
83.08582	0.3
85.06517	0.4
86.29826	0.2
91.05457	0.8
93.07011	1.1
95.04950	0.8
95.08599	1.4
97.06525	0.3
99.04465	0.2
103.05463	0.6
105.03354	0.6
105.07008	1.0
107.04932	1.5
107.08582	0.7
109.02854	0.4
109.06518	1.4
109.10130	0.7
111.08110	0.3
115.05436	0.3
117.07000	0.6
119.04903	0.4
119.08560	0.6
121.02820	0.7
121.06503	0.5
121.10112	0.6
123.04415	3.6
123.08031	0.8
123.11675	0.6
125.09608	0.2
128.06213	0.3
129.07033	0.5
131.04921	0.6
131.08562	0.3
133.06445	0.3
133.10104	0.5
134.03621	0.7
135.04387	1.1
135.08006	0.6
135.11691	0.5
137.02325	0.3
137.05916	0.3
137.09608	0.3
141.01810	0.7
145.06477	1.1
145.10092	0.5
147.04396	2.1
147.11665	0.4
148.05185	0.5
149.02281	1.3
149.05971	1.1
149.13278	0.4
151.07536	0.3
153.05457	0.4
155.60001	0.2
157.06456	0.4
158.07253	0.4
159.04366	0.4
159.08047	0.3
159.11682	0.3
161.02348	2.4
161.05978	0.7
161.13269	0.4
163.03868	0.7
163.07574	0.5
163.11121	0.3
165.01843	3.6
167.03381	1.5
167.07024	0.6
167.08438	0.2
173.05974	0.6
174.06767	0.4
175.03984	0.4
176.04692	0.8
177.01794	2.6
177.05420	1.1
179.03365	0.9
181.04938	0.3
183.02887	2.7
183.08060	0.2
185.05957	0.4
189.01804	1.0
190.02597	1.0
191.03352	1.5
191.07001	2.9
191.08560	0.4
195.06516	0.3
197.04393	0.5
198.06757	0.3
199.07510	0.5
200.04807	0.3
201.05461	1.4
201.09038	0.3
202.97249	0.2
203.03415	0.4
204.04158	1.3
208.03638	1.0
209.08006	0.4
209.09756	0.4
211.07416	0.3
213.05470	0.6
213.09093	0.5
217.08560	0.4
219.06496	13.0
220.06790	0.5
221.04463	0.3
222.05161	0.6
225.05467	0.3
225.09151	0.3
227.06953	0.5
229.05025	0.6
235.07541	0.3
237.05486	0.4
237.07594	0.8
237.09489	0.4
239.07108	0.3
240.07755	0.4
241.04930	1.2
243.06476	0.3
251.07047	0.3
251.10855	0.3
253.04907	0.6
254.05432	0.3
255.06537	0.7
255.10106	1.8
261.09064	0.4
264.07916	0.3
265.05032	0.5
265.08569	1.6
267.06491	0.6
268.07245	1.2
269.11697	0.4
277.04871	0.5
279.10159	0.6
281.04459	1.5
282.08881	0.3
283.06097	0.8
283.09579	7.1
284.09909	0.4
287.05554	0.4
289.08646	0.3
291.06393	0.3
292.07358	0.3
293.08276	0.5
295.05908	0.7
297.07834	0.5
297.11179	1.4
299.05481	3.6
300.05759	0.3
305.04407	0.8
306.05130	0.5
307.06201	0.4
307.09644	0.6
311.05460	1.9
311.09146	0.9
313.06931	0.5
317.07953	0.9
317.24753	0.5
319.05899	0.6
320.06827	1.2
321.11176	0.5
323.05643	1.1
324.06400	0.4
325.06912	0.7
325.10742	0.7
335.09097	4.0
335.12936	0.3
335.25772	0.4
337.07089	0.5
338.07800	1.6
353.10147	100.0
354.10532	4.3
370.16187	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	353.1015
Annotation	Erysubin B
Peak:m/z	Relative Intensity
50.01856	0.3
55.05484	0.8
65.73642	0.3
69.62328	1.3
69.62760	0.9
82.46487	0.3
83.04958	0.4
91.05445	0.6
92.99747	1.1
93.07017	0.3
94.59429	0.3
95.08575	0.3
107.04936	0.9
108.41064	0.3
118.04141	0.4
119.04896	0.6
121.02877	2.2
133.02853	0.3
135.04401	1.3
137.02298	0.7
141.01779	1.0
145.06458	0.6
153.01840	0.6
155.04892	0.6
157.06488	0.5
163.03842	0.5
165.01831	2.8
167.08601	0.3
171.04298	0.4
171.08073	0.3
176.04686	0.4
182.84337	0.3
183.02884	1.9
185.06000	0.5
195.08055	0.5
202.02699	0.4
213.05405	0.4
217.04947	0.7
218.07109	0.4
229.04959	0.8
233.09671	0.4
236.08296	0.5
237.05450	0.3
241.05046	0.3
241.08635	0.4
251.10664	0.9
255.06543	0.9
261.09164	0.4
263.07251	0.5
267.06442	0.7
269.04388	0.8
269.08170	0.3
270.05127	1.1
271.05914	1.0
273.03900	2.6
279.06451	0.5
279.09952	0.7
281.08118	0.5
283.05988	42.9
284.06302	1.6
289.08563	0.4
292.07233	1.4
293.08017	1.0
294.05145	0.6
295.05939	2.3
297.07547	5.2
307.06207	0.5
307.09610	6.2
309.07730	0.3
311.05640	0.4
311.09143	1.1
317.08099	1.4
319.05911	0.5
320.06705	2.4
321.07510	0.6
325.10727	0.7
335.09106	18.9
336.09372	1.2
353.10156	100.0
354.10553	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	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29981	0.2
59.04987	0.2
61.02915	0.7
65.03921	0.4
67.05166	0.4
67.05496	4.9
68.61446	0.3
69.03415	1.1
69.07050	0.6
69.38959	2.8
70.06589	0.6
71.37267	0.3
72.08152	1.5
74.81080	0.2
81.03396	0.4
81.07072	0.4
84.08123	0.4
85.02892	2.5
85.06538	0.6
91.05431	0.4
95.04961	7.9
96.05267	0.3
97.02898	1.0
98.20773	0.5
99.08077	0.3
109.02859	0.5
112.40173	0.3
113.06001	2.8
119.04951	0.5
119.08582	0.3
121.02859	0.6
121.06498	0.3
127.03901	1.2
127.07552	0.9
130.32567	0.2
131.04907	1.8
132.05725	1.5
141.05453	100.0
142.05809	2.1
145.04948	1.0
147.04378	2.1
155.07022	12.4
159.06516	7.0
160.05208	0.8
160.06865	0.3
173.08092	10.6
177.05438	0.6
180.08690	1.1
182.08191	1.3
191.07028	1.0
192.07823	3.0
207.06531	0.5
229.12523	0.4
236.98390	0.3
264.22861	0.3
309.07269	0.5
321.07510	1.0
323.08707	0.4
325.07050	0.6
352.08737	2.8
352.20535	0.5
353.06396	0.8
353.10226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.96539	1.3
60.85386	1.1
69.03402	1.2
70.17814	3.8
72.99528	1.1
85.02879	1.6
97.53150	1.1
98.97532	1.2
143.01880	1.3
173.02946	1.6
174.04492	1.1
192.05498	1.7
245.05005	1.0
251.00818	1.1
319.60028	1.0
353.08435	100.0
354.08905	2.4
373.34323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1017
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
55.01866	0.7
55.05494	1.2
65.03915	0.7
67.05484	1.9
68.99780	1.7
69.03406	0.5
69.07059	1.3
71.08628	0.5
71.62289	0.6
79.05030	0.5
79.05472	2.1
81.07050	3.7
83.04967	0.7
83.08589	0.6
91.05466	1.9
93.07035	2.0
95.04960	1.0
95.08601	2.1
103.85469	0.4
105.03371	0.7
105.07003	1.5
107.04964	2.7
107.08555	1.1
109.02864	0.5
109.06528	2.2
109.10123	1.1
115.05459	0.5
117.06968	0.9
119.04924	0.4
119.08584	1.2
121.02821	1.1
121.06494	0.4
121.10134	0.6
123.04399	2.3
123.08038	1.4
123.11688	0.4
126.09259	0.4
129.07039	0.9
131.08563	0.5
133.10136	0.9
134.03641	1.2
135.04405	1.3
135.11697	0.6
137.02339	1.6
141.01767	0.5
143.39165	0.4
145.06480	1.7
145.10132	1.0
147.04384	1.6
147.11667	0.7
149.02347	1.7
149.05963	1.7
149.13214	0.4
151.07556	0.5
153.01819	0.7
153.05470	0.6
161.02333	2.6
161.05991	0.9
162.03140	0.6
163.03900	1.3
165.01830	4.3
167.03413	1.4
171.11867	0.4
173.05939	0.9
175.07556	0.8
176.04771	0.7
177.01868	3.4
177.05453	1.7
179.03392	0.5
183.02895	5.1
187.07446	0.5
189.01822	0.9
189.05482	0.6
189.08987	0.6
190.02605	1.2
191.03401	1.5
191.07050	1.8
191.10579	0.5
194.38176	0.4
195.02904	0.9
195.06505	0.8
197.06000	0.5
199.07538	0.5
201.05482	2.0
203.03369	0.7
204.04161	1.9
208.03661	1.5
213.05481	1.4
217.04895	0.5
219.06516	10.6
219.09886	0.5
222.05180	1.2
227.07001	0.6
229.05008	0.9
237.05495	0.5
237.07332	0.9
237.09384	0.8
241.04944	1.6
255.06592	1.2
255.10185	1.6
261.09125	0.8
264.07733	0.5
265.04730	0.7
265.08578	1.9
267.06732	0.5
268.07269	0.6
279.10315	0.7
281.04507	2.3
281.07455	0.4
283.06110	1.2
283.09625	5.0
291.06546	0.4
292.07272	0.8
293.07935	0.8
293.22983	0.5
295.06049	0.7
297.11182	1.1
299.05524	5.0
305.04565	0.6
306.05176	0.7
307.09509	0.9
310.04645	0.7
311.05469	3.5
311.09079	1.3
317.07965	0.7
319.06012	1.6
320.06793	1.8
321.07516	0.7
323.05392	0.5
325.07071	2.1
325.10681	1.1
335.09238	4.9
337.06799	0.5
338.07770	1.8
353.10168	100.0
354.10458	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	352.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16014	0.7
55.01870	0.9
55.05509	1.3
56.05019	2.4
56.96550	1.6
57.03418	1.8
57.05807	5.2
58.06576	1.0
60.04519	4.7
61.02913	1.2
68.05012	1.2
69.03411	5.5
69.07047	0.9
70.06575	7.4
71.03729	1.1
71.04971	1.1
71.60223	0.9
71.60590	1.0
72.08147	7.0
73.02892	1.0
73.05297	5.7
74.06075	1.4
80.05004	1.4
81.03410	1.4
82.06577	7.6
84.04506	1.8
84.08131	4.2
85.02898	7.4
85.05260	4.0
86.06065	4.5
86.09689	2.5
87.04444	1.1
94.06542	1.2
95.05011	0.8
96.08095	0.8
97.02878	3.0
97.06512	0.8
98.06042	5.3
98.97557	1.9
99.04413	1.1
99.06812	3.0
100.07628	6.2
107.04971	1.3
108.08089	1.1
109.02879	1.1
110.06032	7.9
110.07159	1.1
111.06806	0.9
112.07578	2.1
113.78770	0.9
114.09122	1.6
116.03432	4.4
116.07056	2.7
116.98621	1.6
117.04202	1.2
120.08054	1.2
122.05975	1.0
123.05538	1.2
126.05495	0.8
126.12781	1.4
127.03909	2.0
128.07066	40.2
129.07880	7.4
129.10226	0.9
130.08649	1.0
134.99637	0.9
137.05894	0.9
138.05498	4.1
139.06239	4.1
140.07083	5.8
142.08572	0.8
144.06543	6.5
144.13852	4.2
145.04948	0.8
146.05983	2.9
147.04315	3.5
150.09175	0.8
157.07352	2.3
158.08078	1.9
172.03922	0.9
172.06046	4.8
172.09692	2.0
174.07626	1.1
180.99359	0.9
190.07083	100.0
190.10733	2.6
190.14342	6.6
191.07442	0.9
192.08626	1.0
201.00693	0.7
208.98927	1.5
218.11580	0.9
237.02699	1.2
255.35712	0.8
269.05368	0.9
293.03058	0.8
311.06531	2.2
336.95773	0.8
352.10220	0.9
352.15247	1.3
352.19070	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.9
55.01875	7.9
55.05516	10.8
57.03445	11.4
57.07084	6.4
58.55268	3.5
67.05504	88.4
69.07058	20.1
71.62167	4.0
79.05492	44.9
81.07050	100.0
81.07506	6.2
83.04993	4.8
83.08635	10.7
90.67982	3.1
91.05467	32.4
93.07046	54.6
94.09657	3.4
95.05003	4.8
95.08601	74.1
97.06516	3.6
97.10179	5.3
105.07028	26.1
107.08598	34.7
109.06506	3.7
109.10150	45.0
117.07018	8.5
119.08559	26.7
121.06505	8.3
121.10135	34.4
123.08137	7.3
123.11700	40.0
129.05487	9.5
129.07089	4.7
131.08534	15.8
133.10136	33.1
135.08092	4.6
135.11702	27.9
137.09659	4.8
137.13292	13.6
139.07527	7.3
143.08525	7.8
145.10170	16.4
147.08098	3.9
147.11658	20.9
149.09590	5.3
149.13245	16.9
153.09175	3.9
157.10199	5.1
159.11728	11.8
161.13223	15.5
163.14828	4.5
171.11772	6.3
173.13254	6.5
175.14905	11.0
176.31645	3.6
177.12845	4.7
185.13260	7.8
187.14944	4.8
199.14859	4.5
201.16368	3.4
203.17818	3.3
213.16400	4.8
215.17966	11.5
217.19504	41.3
231.21053	26.5
241.19476	41.0
259.20575	56.0
260.50977	3.0
277.21732	14.6
295.06235	4.2
302.96588	3.5
333.24384	10.0
351.08472	5.1
351.12259	24.0
351.25247	44.5
351.28873	3.7
352.12308	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20938	1.9
52.37257	2.0
53.03939	2.3
55.05295	2.2
55.05510	24.8
57.03431	35.0
59.04984	2.4
67.05164	3.8
67.05500	52.6
69.07054	14.0
70.09907	12.9
70.99614	2.2
73.79243	2.1
79.05485	44.6
81.06571	4.0
81.07047	60.2
83.04975	3.3
83.08608	13.3
85.06514	4.2
91.05470	37.7
93.07035	66.2
95.04958	6.8
95.08601	47.9
97.06496	4.7
97.10165	4.2
99.08074	5.2
105.07021	37.4
107.08588	44.3
109.06505	3.5
109.10151	14.9
111.08074	5.0
111.72908	2.3
117.07009	8.3
119.08572	39.0
121.10136	33.1
123.08064	2.3
123.11713	5.9
125.09590	3.3
129.07002	3.1
131.08542	17.4
133.10121	29.6
135.11671	31.5
137.09584	5.0
143.08545	4.0
145.10115	14.9
147.11673	26.3
149.13239	19.7
157.10138	5.6
159.11688	16.0
161.13258	19.6
163.14833	6.9
165.12843	2.7
167.10648	2.6
171.11714	7.1
173.13219	8.4
175.14818	8.2
177.12718	2.3
177.68596	2.5
185.13243	7.4
187.14815	8.4
199.14769	4.8
205.16039	5.1
213.16451	2.6
221.19160	3.1
241.19501	21.0
259.20578	51.2
277.21616	22.5
333.24210	9.4
351.12317	8.6
351.25275	100.0
352.25497	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01854	5.0
55.05502	29.9
56.51053	1.1
57.03183	1.6
57.03431	20.2
57.07062	3.3
65.03947	1.8
67.05497	78.9
69.03404	3.0
69.06715	1.9
69.07059	27.7
70.16718	7.5
71.04961	3.9
71.08624	52.0
73.06509	1.5
79.05482	64.0
81.03397	5.2
81.07047	73.4
83.04972	12.0
83.08606	14.6
85.06518	3.8
89.97648	1.4
90.43811	1.3
91.05466	42.3
91.95373	1.5
93.07035	71.8
95.04975	12.5
95.08591	51.7
96.03251	1.4
97.06510	12.0
97.10154	9.4
99.08076	31.4
105.06377	2.2
105.07021	33.4
107.04943	8.3
107.08578	50.9
109.06493	5.7
109.09454	2.2
109.10148	27.2
110.10416	1.2
111.08057	5.7
113.09585	3.7
117.06994	8.5
119.08562	27.1
121.06487	1.6
121.10123	36.8
123.08048	4.1
123.11704	6.5
125.09587	4.6
127.11178	2.4
129.06990	3.8
131.08527	7.4
133.10124	25.3
135.08017	2.2
135.11667	47.8
137.09599	4.1
139.11179	2.7
141.09082	3.5
143.08534	5.8
145.10124	10.4
147.11658	18.0
149.09550	2.4
149.13240	19.9
151.11163	17.3
153.12729	2.0
157.10088	5.4
159.11665	10.6
159.41188	1.9
161.13245	17.4
163.11163	8.1
163.14796	6.7
165.12756	1.9
167.10681	2.8
171.11671	3.3
173.11763	1.5
173.13228	4.2
175.14816	6.2
175.16106	1.4
177.12726	3.7
177.16293	1.3
179.14288	94.2
180.14636	2.9
181.12204	2.5
185.13214	4.7
187.14827	2.6
189.11194	4.4
189.12759	4.2
189.16278	1.6
195.13823	1.7
199.14798	3.1
213.16341	1.8
221.15369	3.2
231.21109	2.0
235.16919	5.6
241.19487	7.4
259.20569	25.7
277.21573	51.0
309.07639	1.3
333.24240	3.2
351.08502	4.7
351.12387	3.3
351.25238	100.0
352.25443	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03936	3.6
54.32133	1.1
55.01869	2.5
55.05261	1.3
55.05510	20.2
57.03424	7.3
57.07061	1.9
59.04983	1.0
64.73589	1.2
65.03923	2.8
67.05503	50.8
69.03405	1.8
69.07067	18.8
69.65038	2.9
69.65446	6.5
71.04991	2.8
75.04485	2.0
75.75344	1.4
77.03913	1.4
79.05489	67.3
81.07053	53.1
83.08617	7.6
85.06538	2.8
91.05475	49.6
93.07039	92.4
94.07335	2.0
95.04964	9.5
95.08602	38.6
97.06522	3.2
97.10150	2.9
99.08093	3.8
101.52764	1.5
105.07021	54.9
107.04945	1.7
107.08590	58.9
108.08920	1.8
109.06522	3.4
109.10146	14.8
111.08089	1.9
112.04407	1.2
113.09661	2.2
117.07009	11.1
119.08571	51.6
121.10138	43.6
121.11019	2.1
122.10478	1.2
123.04428	2.7
123.08023	3.1
123.11687	3.6
124.74283	1.2
125.09644	1.2
128.06192	1.8
129.07007	6.6
131.08563	23.7
133.10127	45.3
135.04491	1.4
135.07997	2.3
135.11687	44.3
137.02266	1.3
137.09616	1.4
143.08545	9.4
145.10117	21.2
147.11681	43.6
148.11952	1.2
149.09692	2.6
149.13257	25.2
156.09288	1.2
157.10095	8.3
159.11678	17.8
161.13240	32.2
163.11183	3.7
163.14790	6.9
171.11668	10.3
173.13243	9.5
175.11139	1.7
175.14793	12.9
177.12773	2.0
185.13260	15.4
187.14859	2.8
189.12790	2.2
195.13780	1.5
199.14804	7.3
203.14355	2.1
213.16362	5.0
215.17894	1.9
217.15906	1.9
217.19511	1.6
231.17369	2.6
231.21013	6.5
241.19482	28.6
242.19861	1.9
259.20557	100.0
260.20908	5.1
261.22293	1.7
267.06546	2.1
277.21573	14.6
295.05981	2.9
326.17596	1.2
333.24277	13.7
336.06100	1.9
351.08420	6.6
351.12329	10.7
351.25284	87.1
352.12277	1.4
352.25644	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.05307	1.2
55.05509	13.9
57.03418	5.0
57.07061	3.4
65.03946	2.7
67.05499	38.1
69.07055	11.6
70.04169	7.7
71.04984	2.0
74.32654	1.4
75.04459	2.6
79.05482	52.6
81.07049	41.2
83.08607	5.9
83.31824	1.8
85.06528	3.1
91.05471	52.8
92.05804	1.5
93.07034	68.9
93.07624	3.5
95.04942	5.1
95.08598	32.0
97.06493	3.1
97.10155	2.8
99.08110	2.4
105.07019	62.2
106.07375	1.7
107.08583	37.2
109.06490	2.1
109.10152	11.3
111.08079	1.7
117.07013	12.1
119.08570	54.2
121.09281	2.8
121.10120	30.2
123.11674	3.5
129.07013	9.5
129.48375	1.5
131.08559	19.3
133.10114	51.6
135.08104	1.8
135.11682	35.3
136.12042	1.6
141.07089	1.9
143.08563	9.8
145.10097	22.0
147.11679	50.3
147.96626	1.6
148.12035	2.2
149.09579	4.1
149.13258	20.7
157.10158	8.0
159.11676	17.7
161.13235	39.7
163.11137	2.7
163.14813	4.9
171.11658	16.5
173.13255	10.5
175.14806	16.6
177.12732	2.4
177.16313	1.5
185.13300	12.0
187.14897	2.1
189.12660	2.3
189.16325	2.0
199.14734	9.1
203.14287	1.7
213.16322	4.3
217.15991	2.2
231.17439	3.5
231.21017	8.5
241.19478	30.8
242.19882	1.9
259.20547	100.0
260.20941	5.9
277.21603	4.7
321.07617	4.0
333.24207	3.4
336.09854	2.2
351.08350	3.3
351.12314	21.3
351.25278	78.7
352.12540	2.5
352.25327	3.8
352.42853	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.5
53.85018	1.2
55.05510	11.9
57.03432	9.5
57.07064	2.6
65.03926	1.6
67.05499	39.4
69.07064	12.5
71.04964	3.8
71.06820	3.3
75.04464	2.0
79.05486	64.9
79.67171	1.2
81.07048	55.2
83.04977	1.4
83.08613	8.0
85.06537	1.4
91.05474	46.3
91.88696	1.3
93.07035	82.2
93.56136	1.2
94.07354	1.4
95.04961	5.8
95.08598	36.1
97.06513	3.0
97.10156	4.4
97.59320	1.0
99.08076	4.2
105.07020	54.4
107.07858	2.8
107.08582	53.4
109.06519	2.6
109.10144	12.1
111.08059	1.9
113.09626	1.7
117.07007	11.0
119.06064	1.1
119.08572	47.1
121.10131	39.7
121.11018	1.7
123.08039	2.0
123.11662	2.7
125.09572	1.6
126.50957	1.1
129.06969	7.7
129.09094	1.6
131.08546	17.6
133.10115	42.5
135.08049	1.7
135.11673	45.7
136.17404	1.2
137.17015	1.0
138.72447	1.2
141.15504	1.2
143.08545	8.1
145.10107	23.3
145.11244	1.4
147.11673	48.4
149.09619	2.8
149.13246	30.5
152.19496	1.2
157.10155	10.8
159.11684	20.6
161.09593	1.6
161.11960	2.4
161.13245	32.3
161.14574	1.5
163.11205	3.7
163.14828	10.5
171.11673	10.4
173.13245	11.2
175.14809	17.4
177.12723	4.0
179.14378	1.8
185.13248	12.1
187.14819	2.7
189.12634	2.2
189.16476	1.7
191.14299	1.7
199.14790	7.6
203.14384	1.9
213.16391	3.8
217.15912	1.6
217.19519	2.7
221.15398	1.5
231.17429	3.5
231.21014	7.7
241.19487	34.8
254.57649	1.2
256.29431	1.2
259.20557	100.0
260.20810	3.0
277.21609	13.4
333.24243	11.8
345.37357	1.2
351.25266	89.5
352.11960	1.7
352.25507	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.09860	1.5
55.05508	17.6
57.03437	43.6
57.07062	5.5
65.03950	2.4
67.05499	56.6
68.45724	1.6
69.03423	2.3
69.07061	17.9
69.15254	1.4
70.78658	5.2
71.04974	7.2
71.89575	1.7
75.04488	1.9
79.05488	56.1
80.05813	1.7
81.03432	1.6
81.06569	3.5
81.07050	70.0
82.07374	2.6
83.04961	5.9
83.08605	10.8
85.06528	6.3
91.05476	46.9
93.06134	2.8
93.07038	70.3
94.07351	2.9
95.04410	1.5
95.04932	8.6
95.08599	48.8
97.06508	7.8
97.10144	6.9
99.08086	4.7
105.07019	44.3
107.04948	2.5
107.07845	2.8
107.08591	44.4
108.08923	1.9
109.06519	3.9
109.10151	19.2
109.25201	1.7
111.08077	4.9
113.09601	2.0
113.62395	1.8
117.06994	11.0
119.04947	1.9
119.07808	1.9
119.08569	34.7
121.01694	1.5
121.09309	3.1
121.10133	35.0
123.04419	12.1
123.08070	5.9
123.11684	6.0
125.09616	2.9
129.07002	4.1
131.08574	19.3
132.08902	2.3
133.10104	32.8
135.08009	3.7
135.11682	28.7
137.09596	3.4
139.11201	2.3
143.08528	7.1
145.10110	20.1
147.04433	4.5
147.11667	30.8
149.13232	16.0
151.11195	5.3
157.10106	7.1
159.11697	18.4
160.12041	3.3
160.40242	1.9
161.13290	15.2
163.11238	3.0
163.14737	4.3
165.12698	2.6
170.83018	1.8
171.11731	8.9
173.13281	10.6
175.14920	8.0
185.13251	6.4
186.13699	1.8
187.14825	12.4
189.16251	2.0
191.14345	1.9
199.14789	6.2
203.10623	4.1
203.17955	3.8
205.15836	5.0
213.16440	3.8
217.19537	1.9
221.19003	4.0
231.21034	2.1
241.19516	16.7
259.16959	14.4
259.20578	45.1
277.21619	22.4
279.06479	3.0
293.21283	2.0
295.06100	2.9
305.07492	1.5
308.06866	1.6
315.19327	2.0
315.23190	2.2
333.24121	8.3
336.06192	9.7
351.08585	30.4
351.12378	8.3
351.21536	4.3
351.25226	100.0
352.08868	3.4
352.25592	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63025	1.4
53.03936	5.1
55.01859	2.9
55.05507	16.2
56.96291	1.4
56.96560	21.8
57.03435	12.8
57.07053	3.4
58.12663	1.3
67.05501	42.5
67.05862	2.3
69.03427	1.6
69.07060	19.3
71.04982	3.1
71.08627	27.8
71.62945	1.9
71.95245	2.3
72.08119	1.5
76.18813	1.3
79.05055	2.0
79.05489	28.3
81.03394	5.7
81.06573	2.2
81.07050	38.5
83.04952	6.0
83.08622	9.7
85.06528	3.9
86.09644	1.3
88.07618	2.0
91.05468	19.9
93.07040	30.8
95.04960	9.9
95.08604	25.7
95.09173	2.9
97.06506	4.5
97.10179	6.9
97.10709	1.4
99.08077	22.2
105.03391	1.8
105.07024	17.1
107.04948	2.5
107.08582	26.0
109.06480	4.1
109.10152	15.7
110.97481	1.4
111.08044	2.7
113.09637	1.3
115.97798	2.8
117.06995	5.8
119.08575	16.4
121.10139	11.2
123.04503	2.2
123.08015	2.7
123.11688	5.2
125.09589	4.7
127.03979	1.4
128.98605	3.3
129.06987	2.4
131.08539	5.1
133.10120	11.6
135.08014	1.5
135.11649	12.1
137.09543	1.6
137.13196	1.4
143.08566	4.2
145.01700	3.5
145.10127	7.7
146.10309	1.4
146.99614	3.2
147.11681	10.5
149.13287	6.8
151.11183	13.6
157.10129	3.3
157.22540	1.4
159.11682	5.3
161.01178	2.0
161.09581	1.4
161.13226	12.6
163.02740	7.3
163.11186	6.8
163.14864	2.3
165.12755	3.5
171.11702	4.3
173.11766	1.8
173.13228	4.8
173.69669	1.6
175.06364	2.0
175.14799	5.1
177.12746	1.8
179.14297	10.8
181.03781	1.8
185.04819	1.6
185.13301	5.0
187.14755	1.6
189.11182	3.1
189.12772	2.5
189.16588	1.6
199.14743	2.2
213.16258	1.8
221.15392	1.6
231.21165	2.9
241.19528	7.4
250.92117	1.4
258.11386	1.9
259.20547	9.2
263.13052	12.6
275.19952	2.2
277.21631	35.1
279.12878	2.6
281.14246	63.3
282.14575	4.7
292.22601	2.0
295.05981	3.0
295.22714	2.1
297.07504	1.5
299.15350	4.1
299.85818	1.5
304.15863	9.9
321.07486	2.2
333.17096	7.6
333.24200	3.4
351.08560	12.2
351.12405	11.1
351.18381	100.0
351.25082	53.8
351.29861	2.1
352.12466	3.9
352.18512	9.8
352.25101	7.0
369.19601	9.7
374.19720	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01862	3.8
55.05510	22.2
57.03430	40.3
57.07054	2.4
64.22818	1.5
65.03921	2.6
67.05500	49.1
67.05864	3.1
69.07062	20.0
70.96146	4.7
71.04986	2.6
71.08613	4.3
79.05054	2.7
79.05487	44.5
81.03348	1.9
81.07049	62.1
83.04985	3.7
83.08608	13.5
85.06526	5.8
91.05476	33.2
93.07034	68.0
95.04954	9.2
95.08601	50.7
97.06534	5.2
97.10153	5.1
99.08074	7.5
105.07014	34.9
107.04954	2.1
107.08586	45.0
109.06499	4.8
109.10147	18.2
111.08072	3.2
113.09671	2.5
115.05466	2.0
117.06990	10.6
119.08575	34.2
121.06480	1.6
121.10131	40.1
123.04449	9.0
123.08016	3.8
123.11720	7.0
125.09633	2.9
127.60438	1.6
129.06982	5.2
131.08562	18.8
133.10126	24.4
135.11662	30.9
137.09610	3.3
137.13213	2.0
139.11185	1.9
143.08562	6.1
145.10107	16.2
147.04410	2.0
147.11684	27.1
149.05936	1.5
149.13255	20.2
151.11154	6.0
151.65184	1.4
155.08565	1.6
157.10109	6.9
158.45306	1.5
159.11665	14.0
161.13240	21.4
163.11182	4.2
163.14824	5.1
165.12802	4.0
171.11702	6.1
173.13235	8.4
175.14796	8.8
177.12796	2.3
179.14238	2.9
185.13268	6.3
187.14771	10.9
199.14778	4.5
201.16353	2.5
203.14352	2.1
203.17816	1.5
205.15903	5.6
213.16415	3.6
215.10710	3.2
221.18980	3.6
229.12195	2.5
231.21094	3.7
241.19511	13.1
259.20557	41.2
260.20895	2.8
277.21622	22.5
292.22772	3.7
295.06064	2.7
305.08099	1.8
309.07468	3.2
333.24258	6.7
336.10126	1.9
351.08633	11.9
351.12610	11.7
351.16205	5.6
351.25269	100.0
352.12918	2.1
352.25092	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05498	0.7
57.03415	0.6
57.07073	0.4
61.72016	0.3
67.05508	1.7
69.03407	0.6
69.07059	1.2
70.04052	0.9
70.06543	0.5
70.06855	2.0
71.04994	0.4
79.05477	1.4
79.83373	0.3
81.07053	3.1
83.04965	0.5
83.08620	0.6
85.06538	0.4
91.05457	1.2
93.07052	1.6
95.04950	0.5
95.08585	1.8
98.21360	0.4
105.07001	1.7
107.08572	1.3
109.02911	0.4
109.06507	0.8
109.10151	2.1
111.04186	2.5
117.07051	0.7
119.04954	0.5
119.08573	1.4
121.10117	1.2
123.04401	0.8
123.11691	0.4
131.08537	0.5
133.10106	1.6
135.11671	0.6
135.81082	0.3
139.11102	0.4
139.37483	0.3
143.08531	0.4
145.10132	1.0
147.04413	0.8
147.11688	1.1
149.09560	0.5
157.10132	0.6
159.11682	0.6
161.13261	0.6
163.11206	0.4
171.11772	0.5
175.03926	0.8
175.14957	0.4
189.05464	0.5
202.02635	0.5
203.03241	0.4
207.06543	1.0
217.04951	0.5
220.03554	0.6
234.06851	0.4
245.15060	4.0
259.20602	0.6
263.06937	0.5
279.06549	0.6
305.08093	1.0
307.20471	0.4
308.06873	0.5
310.04501	0.4
315.23178	0.6
318.05411	0.4
323.05472	1.0
323.09296	0.8
333.20416	5.6
333.24203	0.6
336.06213	6.1
337.06644	0.4
351.08640	25.4
351.21381	100.0
352.08783	2.9
352.21729	1.9
352.25522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01832	2.3
55.05508	14.2
57.03432	9.4
57.07063	2.4
60.22376	1.9
61.45522	1.7
64.57584	1.7
65.03918	2.3
66.53669	1.7
67.05170	2.6
67.05500	38.6
67.05859	2.4
69.07059	16.1
70.15524	2.1
70.56532	6.9
71.04985	3.6
75.04478	2.3
77.66977	1.8
79.05485	62.8
80.05798	2.4
81.07049	50.0
83.04954	2.7
83.08625	8.7
85.06536	4.0
87.56428	1.8
91.05469	45.9
92.05869	2.2
93.07032	86.9
95.04951	7.7
95.08597	33.6
97.06548	2.8
97.10130	2.3
99.08090	3.6
105.07021	50.4
107.08582	51.8
109.06474	2.9
109.10126	13.5
109.36077	2.1
113.09657	2.4
117.06969	10.6
119.07784	3.5
119.08575	49.9
121.10142	40.9
123.08097	2.4
123.11635	4.3
129.06989	10.0
131.08546	19.6
133.10114	43.0
135.08057	2.7
135.11679	42.5
143.08537	9.4
145.10114	22.4
147.11667	44.6
149.09666	2.4
149.13239	27.6
157.10152	9.6
159.11652	17.4
161.13229	33.3
163.11142	4.5
163.14815	6.0
171.11659	14.9
173.13263	11.6
175.11299	2.3
175.14774	19.8
177.12750	3.3
177.16353	2.6
185.13257	14.5
187.14676	3.9
189.12703	4.1
199.14833	5.8
213.16385	5.9
217.19566	5.2
231.21025	7.8
236.78206	1.9
241.19482	38.2
259.20554	100.0
260.20932	7.1
277.21643	15.5
300.63843	1.7
333.24091	14.9
335.51419	2.0
351.08762	4.3
351.12247	7.7
351.25269	98.0
352.25690	5.1
361.09933	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	351.2138
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05494	1.4
67.05482	2.0
69.03410	1.4
69.07047	1.7
71.03172	0.9
71.03532	1.1
71.04990	0.6
79.05491	1.0
81.03428	1.2
81.07043	3.9
82.72220	0.5
84.03948	0.4
85.06528	0.9
91.05458	1.7
93.07029	2.1
95.08617	2.8
95.35237	0.6
96.09752	0.5
97.02895	0.6
97.06489	0.7
99.04453	0.7
105.07008	2.3
107.04938	0.8
107.08596	2.0
109.02878	0.9
109.06461	0.7
109.10139	1.4
119.04870	0.9
119.08537	1.6
121.10110	1.5
123.08081	0.8
123.11700	0.9
125.09570	0.7
131.08536	1.1
133.10120	1.7
135.08000	0.6
135.11633	0.6
135.93668	0.5
139.76735	0.5
145.10110	0.7
147.04407	1.6
147.11710	0.8
149.13274	0.6
157.10007	0.7
161.13155	0.8
163.73349	0.5
172.19179	0.5
173.09671	0.5
173.13260	0.8
175.03894	1.8
187.07503	0.5
189.09099	1.0
207.06532	3.0
217.04961	0.7
261.11279	0.5
283.70285	0.5
315.23117	0.5
321.07349	0.5
323.09140	0.8
333.07498	0.6
333.24207	1.1
351.08450	6.5
351.12778	3.8
351.21390	100.0
352.09039	0.7
352.21628	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	351.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87887	0.3
55.05497	0.7
56.33318	0.3
56.96538	0.5
57.03414	0.3
59.57880	0.3
60.60485	0.3
69.03408	0.7
69.07073	0.4
70.06586	1.6
71.04964	0.7
71.24821	0.5
71.25140	0.4
72.08148	3.9
72.82349	0.4
73.06553	0.4
81.03403	0.9
81.07034	0.5
82.06563	0.4
83.04971	0.4
84.04488	0.5
84.08126	1.4
85.02888	1.3
86.09689	1.4
89.10767	0.4
91.05444	0.7
95.04957	0.5
95.08614	0.4
96.19770	0.3
97.02871	0.8
98.06019	0.4
98.09682	0.7
102.05508	0.6
105.06989	0.3
107.08536	0.5
109.02886	0.5
109.10108	0.4
115.08665	0.5
119.04903	0.7
119.08560	0.4
120.08124	0.5
121.02879	0.4
121.28036	0.3
127.03900	0.7
130.06525	0.5
135.04411	0.3
136.07594	0.4
145.06531	0.4
146.06006	0.4
147.04398	3.2
148.11113	0.5
152.07071	0.5
162.05478	0.5
163.03856	0.9
165.64928	0.4
170.06030	1.1
175.03882	0.4
175.08629	0.8
177.05484	0.9
188.06949	0.4
189.10201	0.7
192.04019	0.5
192.13823	0.7
199.08719	2.0
200.09421	7.1
201.00706	0.5
201.10237	7.3
202.10965	0.6
207.06464	0.8
212.09477	0.6
213.10201	6.6
213.13797	0.4
214.10995	5.0
214.14255	0.7
215.11777	18.3
216.12347	1.7
217.09708	1.4
219.11266	9.0
220.08208	0.5
223.02316	0.4
224.12906	0.5
225.13661	0.3
226.10947	1.4
227.08267	0.4
227.11707	0.8
228.08859	0.6
228.12526	2.4
231.11340	2.7
232.12045	0.9
233.12712	0.5
241.09688	2.6
241.13333	4.2
242.08046	0.6
242.10478	10.9
242.14120	0.7
243.11290	2.2
243.15163	0.4
245.09270	1.0
254.10553	1.1
255.11255	1.1
256.12067	3.8
259.10812	3.2
259.13348	0.4
259.14545	0.5
260.11551	3.6
261.12262	1.2
269.12836	4.3
270.13461	0.7
271.14337	0.7
272.11493	1.0
274.13217	0.8
277.11874	2.8
282.10147	0.4
287.13922	2.4
288.14575	0.7
289.15451	0.9
291.10413	0.6
295.16052	0.5
297.12302	6.8
300.11029	2.7
305.14868	0.5
305.25928	0.8
314.59222	0.4
315.13342	18.5
316.13611	1.0
323.27084	0.7
333.14450	18.0
333.25223	3.3
334.14743	1.5
351.15488	100.0
351.26331	9.1
352.15799	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	351.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39779	0.5
53.03934	1.2
55.01860	1.2
55.05508	3.9
56.96547	1.3
57.03425	0.5
65.03922	2.6
67.05499	1.0
68.99763	0.8
69.03423	3.3
69.07058	1.5
69.62674	3.9
70.06593	6.0
71.04974	1.9
72.08153	29.7
73.02888	0.6
73.06530	1.0
74.21307	0.5
79.05482	0.8
81.03416	2.7
81.07050	1.0
82.06568	2.0
83.04954	0.6
84.08141	15.9
85.02911	3.4
85.06536	0.8
86.06039	0.8
86.09702	2.3
88.03983	0.6
89.06011	1.6
89.10775	3.2
91.05476	2.3
93.07046	1.0
95.04954	1.5
95.08611	1.0
97.02890	5.6
97.06522	0.6
98.06049	5.0
98.09682	1.0
98.97570	1.2
99.04440	1.3
101.04234	0.9
101.06033	1.0
103.05448	0.6
105.06997	0.6
107.04961	1.9
107.08592	0.6
108.04456	1.2
109.02860	2.8
109.10100	0.9
110.02397	0.6
110.06010	0.9
110.07198	0.7
111.04446	3.0
114.10287	0.7
115.08697	2.7
116.07096	0.8
116.98601	0.9
117.06994	0.6
119.04950	2.0
120.08115	0.8
121.02863	100.0
121.10115	0.7
122.03197	2.0
123.08094	0.7
124.03869	0.8
125.02356	2.4
126.01873	0.8
127.03918	2.2
128.06998	0.5
128.10690	0.6
130.06548	0.7
130.08614	1.3
131.04916	1.0
133.06519	0.7
134.99615	0.8
136.03932	5.5
136.07536	0.8
141.01860	0.9
143.03430	1.0
145.06580	1.0
146.06003	0.9
147.04393	8.3
148.03850	0.7
150.01930	0.8
152.07028	0.7
153.10158	0.6
154.05006	1.2
154.08662	0.8
157.06474	0.6
160.07509	0.5
161.05966	0.9
162.05498	1.0
163.03917	1.2
166.08569	0.6
168.02939	1.7
170.06088	0.7
170.08226	0.6
172.09712	0.5
173.05911	0.7
175.03925	1.1
175.69582	0.7
177.05455	1.0
178.08620	2.5
180.13815	0.8
188.07152	0.6
189.05595	0.5
191.07080	0.6
195.11389	0.7
196.09639	3.7
201.00833	1.1
201.05498	1.3
203.03494	0.6
205.03603	1.0
207.06519	1.6
214.10753	1.5
217.05008	1.3
218.11812	1.7
219.01825	0.8
222.07642	1.4
231.13573	0.6
235.14345	0.9
237.02797	0.5
240.08641	0.9
244.05914	0.7
245.04489	1.6
256.06119	2.0
269.18945	0.6
270.09668	1.3
274.10718	0.7
280.04205	0.7
288.10690	2.9
297.12256	4.0
298.10843	1.9
303.24561	1.1
305.25912	1.9
315.09897	0.6
315.13358	11.9
315.17029	0.6
316.11566	5.4
323.27026	1.4
333.10907	0.9
333.14441	18.4
333.25253	5.9
334.12613	3.0
351.15503	58.4
351.26358	17.8
352.15799	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	351.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01624	0.2
54.24530	0.2
55.01864	0.5
55.05498	0.8
58.06584	0.2
65.03933	2.5
67.05482	0.4
69.03405	0.6
69.07043	0.6
69.63856	1.1
69.64266	0.6
70.06585	1.6
71.04987	0.6
72.08149	8.1
73.06540	1.0
81.03392	0.8
81.07051	0.5
83.69730	0.3
84.04474	0.2
84.08134	0.7
85.02903	0.7
86.09707	1.1
89.10772	0.3
91.05457	0.8
93.07027	0.3
95.04983	0.4
95.08597	0.5
96.04428	0.3
97.02892	1.2
98.06083	0.5
98.21471	0.4
98.97607	0.3
99.04456	0.5
105.07024	0.3
107.04927	0.4
107.08559	0.7
109.02856	0.4
109.06502	0.3
109.10104	0.3
110.02413	0.2
111.04433	3.6
113.65032	0.2
114.05573	0.3
116.06993	0.2
116.98656	0.2
117.09087	0.3
119.04923	0.6
119.08595	0.2
121.02856	100.0
122.03210	2.1
122.05998	0.3
124.03962	0.5
125.02357	1.2
126.05486	0.6
127.03893	0.7
128.07072	0.3
129.10222	0.3
130.08607	0.2
135.11678	1.1
136.03923	0.9
136.07501	0.4
136.12013	1.5
140.06978	0.4
142.04971	1.6
143.03381	1.4
147.04385	1.0
149.05913	0.2
152.07074	0.3
154.04912	0.5
154.08598	0.6
155.10562	0.3
159.11577	0.3
160.06067	0.5
160.51604	0.2
161.04445	0.6
162.03134	1.0
171.11327	0.3
172.06003	0.6
173.13242	0.3
174.96706	0.2
177.05473	1.6
177.10236	0.6
178.08658	0.8
183.36282	0.2
195.11261	2.5
196.09685	3.4
213.12325	4.3
214.10719	7.3
215.11032	0.4
231.13379	29.6
232.13742	0.8
263.06992	0.3
291.13419	0.3
315.13391	1.9
316.11478	0.3
333.14444	2.8
334.12735	2.3
342.12827	0.2
351.15469	31.9
351.26501	0.5
352.15854	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	351.1224
Annotation	Pseudosemiglabrinol
Peak:m/z	Relative Intensity
51.31945	0.6
55.05499	1.5
56.72669	0.5
56.79194	0.5
57.03426	0.8
57.07078	0.6
67.05494	2.1
69.07041	1.5
69.60171	4.4
79.05490	1.9
81.07050	3.0
91.05459	2.3
93.07024	3.8
95.04951	0.8
95.08603	3.1
105.07020	3.1
106.06679	0.6
107.08589	2.6
109.10171	1.1
117.07009	1.0
119.04882	0.9
119.08588	2.0
121.02928	1.3
121.10142	1.3
122.03231	0.7
131.08577	1.2
133.02847	1.1
133.10114	2.3
135.04408	0.6
135.11719	3.1
143.08583	0.7
145.10062	1.4
147.11661	2.6
149.13219	1.1
157.10126	0.9
159.11684	1.3
161.13263	1.1
179.03424	0.9
185.13251	0.8
193.06516	5.9
195.02945	0.9
199.14700	0.7
202.07845	1.1
221.09505	1.2
231.08092	1.1
253.08791	0.7
259.07565	1.7
259.20609	3.8
267.06537	0.9
277.08636	5.8
281.08109	5.9
285.07608	1.1
290.09372	1.6
293.08087	1.7
295.05969	3.0
295.09402	1.1
297.07526	15.7
298.07965	1.2
307.05777	1.1
308.06744	1.5
309.07602	7.2
309.10950	1.6
318.08865	1.1
321.07635	5.8
322.08304	5.3
323.09033	2.2
333.11194	6.9
334.11609	0.8
335.09189	3.1
336.09933	6.1
351.12256	100.0
351.24643	3.9
352.12567	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	351.1222
Annotation	Piscisoflavone C
Peak:m/z	Relative Intensity
55.01886	0.1
55.05490	0.1
57.03424	0.2
59.71328	0.1
63.34818	0.1
67.05501	1.5
69.07062	0.7
70.04065	1.7
71.14374	0.3
79.05480	0.5
81.03410	0.5
81.07054	0.7
82.12331	0.1
91.05467	0.7
93.07056	0.8
95.04961	0.3
95.08598	0.5
100.62704	0.1
105.03367	0.3
105.06995	0.8
107.04940	0.4
107.08598	0.7
109.06493	0.2
109.10159	0.2
115.05424	0.2
117.06996	0.2
118.04163	0.2
119.04924	0.5
119.08569	0.6
121.02859	1.9
121.10132	0.4
128.06200	0.2
129.07025	0.2
131.04936	0.2
132.75655	0.1
133.10136	0.6
135.11652	0.4
139.03853	0.3
142.83295	0.1
143.08498	0.2
145.02824	0.4
145.06416	0.2
145.10083	0.2
147.04376	0.2
147.11691	0.5
149.02316	0.6
149.13243	0.2
155.08459	0.2
156.25185	0.1
157.10092	0.2
159.08041	0.2
159.11636	0.3
161.02301	0.2
161.13268	0.3
163.03860	0.2
163.14813	0.2
165.06998	0.6
167.03372	0.4
171.08051	0.2
171.48804	0.1
172.05190	0.2
175.14879	0.2
179.08545	0.2
181.06491	0.2
183.02840	0.2
183.08066	0.6
185.13260	0.1
187.03879	0.1
187.07455	0.2
189.05453	0.2
189.09016	0.2
195.07933	0.2
197.05916	0.2
201.05486	0.2
211.07440	0.9
221.05905	0.2
223.07434	0.3
225.09114	0.4
229.04871	0.2
231.08197	0.3
234.10408	0.1
235.07562	0.2
239.07008	1.2
241.19443	0.3
245.09604	0.4
247.07532	0.3
251.07004	0.8
253.04964	0.2
253.08580	0.7
254.05669	0.2
255.06482	0.2
259.20477	0.9
261.09109	0.4
262.09729	0.3
263.07040	0.3
266.05737	0.2
267.06497	11.2
268.06918	0.4
273.03705	0.2
274.09842	0.5
275.07077	0.3
277.08682	0.1
277.12186	0.4
277.21680	0.2
279.06409	0.5
281.08011	1.7
282.05191	0.4
283.05972	3.1
284.06647	0.3
285.07632	0.9
289.08887	0.2
290.09351	1.3
291.06705	0.2
291.09766	0.3
293.08020	0.5
294.05301	1.0
295.06082	0.7
295.09250	0.2
297.07544	17.2
298.07870	0.6
303.10101	0.2
305.08008	1.3
307.06110	1.5
307.09369	0.3
308.06879	0.8
308.10022	0.2
309.07574	4.7
309.11084	0.5
310.08145	0.2
311.09045	0.6
317.07904	0.7
318.08810	1.8
319.09607	0.6
320.10336	0.7
321.07550	7.3
322.08243	0.9
323.09106	2.0
323.12640	0.2
333.11166	6.8
334.11633	0.3
335.09140	2.4
336.09802	2.5
351.12231	100.0
352.12561	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	351.1224
Annotation	Indicanine C
Peak:m/z	Relative Intensity
50.15923	0.3
50.39705	0.3
55.01860	0.4
55.05493	0.7
65.03924	0.7
67.05511	1.7
69.07047	0.8
71.04967	0.3
72.83807	0.3
79.05482	0.7
81.03391	0.9
81.07035	1.1
83.04966	0.5
91.05478	1.3
93.07032	1.2
95.04960	0.4
95.08604	1.4
98.20755	0.6
98.76816	0.3
99.08127	0.4
105.03329	0.4
105.07037	0.7
107.04932	0.8
107.08566	0.7
109.10110	0.7
117.07004	0.4
118.04169	0.5
119.04919	1.1
119.08556	1.0
121.02869	3.0
121.10159	0.7
131.08551	0.4
133.10097	0.6
135.04414	0.5
135.11673	0.4
136.68095	0.3
145.02815	0.6
147.04413	0.4
147.11565	0.4
149.02252	0.4
155.08575	0.5
157.06551	0.4
159.08046	0.6
163.03915	0.5
163.11195	0.4
165.07001	0.8
167.03294	0.3
171.08011	0.3
172.05281	0.3
182.07497	0.4
183.08031	0.5
194.07416	0.4
195.08147	0.5
202.07768	0.6
211.07532	1.2
219.08095	0.4
223.07529	0.3
225.09111	0.3
239.06990	1.3
241.19313	0.3
245.09642	0.5
251.07068	0.9
253.05124	0.3
253.08640	0.7
254.05827	0.9
259.20529	0.9
262.09894	0.6
263.06918	0.4
267.06506	12.8
268.06848	0.8
270.43887	0.4
274.09763	0.4
275.06848	0.4
277.12268	0.5
277.21835	0.4
279.06482	0.6
280.15601	0.3
281.08099	2.7
282.05447	0.7
283.05914	3.3
285.07526	0.9
290.09320	2.0
291.09866	0.3
293.07932	0.7
294.05237	1.2
295.05917	1.4
296.06519	0.4
297.07547	20.5
298.07959	0.6
305.08051	1.6
306.08734	0.4
307.06064	2.3
307.09174	0.4
308.06735	0.9
309.07578	5.5
309.11075	0.5
311.09174	1.0
317.08170	0.6
318.08725	2.1
319.09637	1.0
320.10342	1.0
321.07547	9.1
321.10587	0.3
322.08200	1.1
323.09116	2.1
323.12390	0.4
333.11197	6.9
333.24292	0.3
334.11533	0.3
335.09149	2.8
336.06281	0.6
336.09818	3.0
351.12244	100.0
352.08566	0.6
352.12555	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	351.1223
Annotation	Indicanine C
Peak:m/z	Relative Intensity
53.03933	0.6
55.01859	0.8
55.05506	3.5
57.03431	2.7
57.07063	1.2
67.05496	10.6
69.03448	0.5
69.07063	3.5
71.08625	5.0
71.62154	0.5
71.62541	0.7
79.05482	6.1
80.86365	0.4
81.03392	1.5
81.07045	7.4
83.04955	1.2
83.08611	1.6
85.06514	0.9
91.05463	5.1
93.07037	6.6
95.04945	2.5
95.08599	5.3
97.06511	1.1
97.10162	1.1
99.08106	4.2
101.94753	0.4
105.07014	4.5
107.04971	0.9
107.08565	4.5
109.06486	0.7
109.10149	3.2
111.08060	0.5
113.08006	0.4
113.09718	0.5
114.87833	0.4
115.74683	0.4
117.06994	1.1
119.04926	0.9
119.08572	3.8
121.02848	2.4
121.10155	2.8
123.04417	2.5
123.08093	0.5
123.11711	0.7
125.09607	1.3
126.39661	0.4
129.07024	0.7
131.04884	0.7
131.08557	1.0
133.10104	2.7
135.08154	0.5
135.11711	2.2
137.09601	0.8
139.03911	0.5
143.08569	0.8
145.02908	0.5
145.10094	1.4
147.04323	0.6
147.11685	2.5
149.13275	2.1
150.52130	0.4
151.11143	2.2
159.11690	1.6
161.13240	3.0
163.11162	1.2
163.14847	0.8
165.01723	0.5
165.06961	1.0
165.12692	0.7
171.11690	1.2
173.13269	1.2
175.14833	1.0
178.07722	0.5
179.14337	1.9
183.07996	0.9
185.13260	0.6
195.08109	0.5
195.09935	0.5
201.05556	0.6
207.06396	0.6
207.46904	0.4
211.07521	1.3
215.06984	0.8
239.07002	1.2
241.19485	1.8
245.09599	0.7
247.07581	0.9
251.06969	0.9
253.08575	0.7
259.20673	2.3
263.00708	0.5
263.07071	0.5
267.06497	14.7
267.09387	0.7
274.09915	1.3
277.08298	0.5
277.12119	0.6
277.21548	6.3
279.06555	1.0
281.07968	2.3
283.05963	3.9
285.07709	0.8
290.09286	1.6
291.10034	0.6
293.08017	0.5
294.05222	1.1
295.05963	1.8
295.13025	0.5
297.07547	17.3
305.08035	1.8
305.11087	0.5
307.06082	2.7
307.09070	0.6
308.06778	1.4
309.07669	4.8
309.11069	0.8
311.09103	1.0
317.08069	0.8
318.08740	2.0
319.09525	1.2
321.07550	10.3
321.11166	0.9
322.08200	1.0
323.09082	2.0
323.12610	0.6
333.11185	7.4
333.24185	1.0
335.08966	2.7
335.90680	0.5
336.06268	1.1
336.09915	2.4
351.12238	100.0
351.21375	5.8
351.25266	10.6
351.30411	1.3
352.12549	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	351.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61764	3.6
53.58168	3.4
70.06577	5.0
70.41639	6.2
70.42024	6.5
72.08141	11.0
80.87492	3.7
84.08141	20.1
85.02881	6.8
87.91643	3.5
97.02905	3.4
98.09666	4.8
98.97560	3.9
108.95961	3.1
119.01952	5.6
128.82921	3.1
145.03511	4.8
275.65625	3.5
279.09027	6.9
289.07507	4.1
291.09180	5.9
351.06638	47.0
351.10706	100.0
351.18924	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	351.1221
Annotation	Piscisoflavone C
Peak:m/z	Relative Intensity
53.03935	0.7
55.01871	0.5
55.05497	1.1
57.03431	1.0
57.07079	0.4
65.03934	0.6
67.05499	4.1
69.07056	1.7
69.60160	2.1
70.95193	0.4
71.04982	0.4
79.05494	3.3
79.64925	0.4
81.03432	0.6
81.07047	3.2
83.08613	0.7
87.37437	0.4
91.05473	2.9
93.07039	5.2
95.04967	0.6
95.08594	2.5
97.06551	0.4
105.07023	3.0
107.04928	0.7
107.08590	2.5
109.10143	1.4
111.08060	0.4
113.09647	0.3
117.07008	0.9
119.04932	0.8
119.08566	2.5
121.02853	1.6
121.10135	2.0
123.11658	0.4
131.08534	1.1
133.10114	2.4
135.11661	2.2
137.06052	0.3
143.08565	0.5
145.02878	0.4
145.10127	1.5
147.11699	2.1
149.02272	0.6
149.09599	0.5
149.13226	0.9
157.10152	0.6
159.08110	0.4
159.11691	0.7
161.13249	1.1
163.03911	0.7
163.11189	0.3
171.11716	0.5
175.14781	0.7
181.06458	0.4
183.08058	1.0
185.13275	0.6
199.14789	0.4
207.06476	0.6
211.07523	0.9
217.04909	0.4
225.09056	0.4
231.08165	0.6
239.07036	0.9
241.19456	1.0
245.09644	0.6
247.07492	0.5
251.07013	0.7
253.08623	0.5
255.06450	0.4
259.20624	3.9
262.09668	0.3
263.07040	0.4
267.06497	11.2
268.06787	0.5
274.09882	0.9
275.07040	0.4
277.08597	0.3
277.12045	0.5
277.21603	1.3
279.06494	0.5
281.08084	1.8
283.06033	2.8
285.07455	0.9
290.09323	1.2
293.08011	0.6
294.05173	1.1
295.06024	1.2
295.09512	0.5
297.07547	17.0
298.07932	0.9
305.08209	1.6
307.05954	1.7
308.06650	0.9
309.07599	4.5
309.11090	0.7
310.07932	0.4
311.09232	0.9
317.07990	0.4
318.08875	2.0
319.09683	1.0
320.10312	0.6
321.07590	7.0
322.08133	0.7
323.09061	1.8
333.11197	7.9
333.24463	0.7
335.09100	2.3
336.06140	0.4
336.09729	3.0
351.08759	3.5
351.12253	100.0
351.25229	6.2
352.08688	0.6
352.12631	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	351.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91234	0.6
55.01857	1.0
55.05504	2.6
56.05020	0.9
56.96561	19.5
57.03424	0.9
58.06602	1.2
60.04517	0.9
61.02928	0.9
67.05487	1.2
68.05029	1.2
69.03413	2.3
69.07041	1.0
70.06590	8.7
71.04996	0.8
71.21284	1.3
72.04499	0.7
72.08152	21.4
73.02908	1.0
73.06554	0.9
74.06081	0.7
79.05463	0.9
81.03408	1.8
81.57266	0.6
82.06568	0.7
84.04479	1.9
84.08134	7.8
84.96034	3.9
85.02896	4.6
86.06081	1.3
86.09692	1.8
87.04466	0.8
87.09222	21.1
89.10777	2.8
91.05464	2.3
94.06555	1.0
96.08112	1.1
97.02893	2.7
98.06031	3.6
98.09698	3.6
98.97575	90.2
100.07597	0.6
101.07146	0.7
102.97068	0.8
107.04948	1.7
108.08106	1.2
110.02432	1.3
110.06029	0.9
110.97568	5.2
112.07568	1.3
112.11253	1.0
112.99141	1.4
114.09151	1.1
115.08685	2.0
116.07075	1.2
116.98610	84.1
119.04919	3.4
120.08083	0.8
121.02879	3.6
124.11256	0.9
126.37874	0.7
127.03899	1.5
128.07062	0.7
128.98598	13.1
129.10245	3.2
131.00168	3.0
134.09674	1.0
134.99651	55.0
136.06233	0.8
137.05893	0.7
140.00191	3.4
143.00186	1.8
144.98079	1.1
145.01726	1.1
145.04945	0.9
145.06560	0.7
146.99638	16.0
147.03265	2.5
147.04376	17.4
148.04822	1.2
149.01210	2.6
150.12724	1.4
152.07050	1.3
152.98613	2.6
153.00705	5.9
154.08676	1.0
155.04727	0.6
158.01283	3.5
158.99644	35.1
161.01196	5.5
162.09128	2.2
162.99120	2.5
163.02759	2.8
165.00739	3.2
165.04369	4.1
169.09818	0.8
170.08153	1.9
170.99628	5.4
171.03316	2.9
171.08398	0.7
175.02687	1.1
177.00702	63.4
178.01074	1.0
179.02325	0.9
183.05263	0.8
186.12581	1.4
189.00699	6.0
189.04286	15.9
193.03850	1.1
195.01759	5.5
200.02316	4.9
201.00739	2.5
201.04333	0.9
204.13853	1.0
207.05362	4.1
218.11775	2.6
219.01740	16.1
219.05182	0.8
225.55815	1.0
231.05449	2.7
233.06784	0.9
234.98956	0.7
235.14412	1.5
237.02806	46.8
238.03114	0.7
242.03325	1.4
247.14464	0.7
247.18047	2.2
249.06308	1.2
255.03876	4.5
260.04431	2.0
265.19083	3.9
269.05469	0.8
289.19104	0.9
291.04700	0.6
291.07462	33.7
309.08542	100.0
310.09097	3.1
320.09354	0.7
332.10159	9.4
333.10977	1.0
333.14429	1.4
333.18069	1.7
351.09601	62.7
351.15457	4.8
351.19144	15.3
352.10080	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	351.0861
Annotation	Jayantinin
Peak:m/z	Relative Intensity
54.17792	0.3
55.05508	0.6
57.03421	0.4
58.52340	0.3
67.05489	1.3
68.99787	0.7
69.03417	0.8
69.07047	0.7
69.43519	1.0
69.43939	2.3
79.05484	1.5
81.03414	0.7
81.07068	1.9
83.04974	0.5
86.28147	0.3
89.03912	0.4
91.05476	1.9
92.99769	3.4
93.07050	1.6
95.04970	0.6
95.08591	1.6
99.74361	0.3
103.05438	0.3
105.03381	0.5
105.07013	2.2
107.04954	1.0
107.08578	0.8
109.02879	0.4
109.10155	0.8
111.08041	0.5
115.05440	0.5
117.06983	0.8
119.04953	1.0
119.08566	0.8
121.02831	0.4
121.10169	0.8
123.04449	0.9
123.08009	0.4
125.09618	0.4
127.03925	0.6
128.06213	0.6
129.06982	1.3
131.04993	0.4
131.08580	0.8
132.10214	0.4
133.02869	0.6
133.06488	0.8
133.10092	0.8
134.03619	1.0
135.11661	0.7
137.02357	1.0
137.05994	0.4
145.06482	0.5
145.10147	0.4
147.04382	1.0
147.11682	0.9
149.06004	0.5
151.03909	2.1
153.01790	0.5
153.07001	0.7
155.04897	1.6
157.06477	1.3
157.09995	0.3
159.11722	0.4
161.02362	1.0
161.05960	1.1
161.09538	0.4
161.13223	0.4
163.07542	0.4
173.05989	0.6
174.03159	0.9
175.03937	1.0
177.01855	0.8
178.07748	0.5
179.03395	1.3
185.05936	2.0
187.03929	0.5
189.05461	2.4
189.08998	0.4
192.04071	0.5
194.02097	0.8
202.02609	2.0
202.07878	0.4
203.03374	0.7
203.08603	1.0
206.07260	0.6
207.06487	1.5
211.07713	0.4
213.05505	0.5
215.03432	0.4
217.04990	2.3
220.03674	1.3
221.09624	1.3
223.07605	0.5
231.08043	1.0
234.06795	0.8
235.05780	2.0
241.08394	0.4
249.09044	2.1
251.07024	0.7
252.07881	0.5
253.08707	0.5
255.06543	0.4
262.06274	0.8
263.06967	0.7
265.05063	0.4
267.06570	1.4
267.10181	2.2
277.08594	1.3
279.06583	1.3
280.07132	0.7
281.07889	0.4
283.05975	1.4
286.04752	0.9
289.03439	4.3
290.05927	0.5
291.06558	0.7
295.06598	0.4
295.09680	1.5
297.07669	1.2
305.08063	4.6
306.08115	0.4
307.06018	1.3
308.06738	2.2
309.07376	1.8
310.04721	3.0
315.23120	0.3
321.07568	0.9
322.08218	0.4
323.05646	1.3
323.09106	13.1
324.09464	0.8
333.07663	3.0
333.11136	0.6
333.23999	0.7
334.07996	0.4
335.05402	1.2
336.06223	9.8
337.06772	0.9
351.08594	100.0
351.12180	7.3
351.20993	5.3
351.29391	0.9
352.08878	6.6
352.12656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01861	0.8
57.03405	0.6
65.03941	0.3
67.05500	0.4
69.03406	0.8
69.94743	2.3
73.96864	0.4
79.05478	1.2
81.03401	0.5
81.07033	1.3
85.06512	0.4
91.05463	0.7
92.99755	4.6
93.07019	0.9
95.04956	0.9
95.08624	1.0
98.21409	0.4
103.05453	0.4
105.03380	0.5
105.07027	1.4
107.04954	1.0
107.08601	0.7
109.02856	0.5
109.10136	0.6
110.60316	0.3
115.05438	0.8
117.07005	0.5
119.04922	0.4
119.08566	1.0
121.02908	0.5
123.04424	1.1
128.06230	0.7
128.47083	0.4
129.07005	1.7
133.06456	0.8
134.03600	1.1
135.73894	0.4
137.02327	0.9
143.08527	0.4
145.06470	0.8
147.04416	0.4
147.11722	0.8
149.02315	0.5
149.05940	0.5
151.03906	3.2
155.04897	2.3
155.06013	0.5
157.06462	1.4
159.11638	0.6
161.02351	1.2
161.05933	0.7
173.05956	0.6
174.03114	1.2
175.03876	1.0
177.01840	0.5
178.07803	0.8
179.03371	1.4
182.71022	0.4
185.05925	2.0
189.05458	3.4
191.03416	0.5
193.10104	0.5
194.02097	0.8
201.05389	0.4
202.02682	1.5
202.07793	0.6
203.03342	0.8
203.08560	1.0
206.07230	1.1
207.06505	1.0
213.05473	1.2
217.04924	2.7
220.03645	0.9
221.09627	1.4
224.08366	0.5
231.08110	0.9
234.06741	0.8
235.05890	0.8
239.10643	0.4
249.09036	1.7
252.07777	1.2
253.04883	0.5
259.24472	0.5
262.06256	0.9
265.05026	0.4
267.06693	0.3
267.10135	2.6
272.27188	0.4
277.08603	1.9
277.21704	0.4
279.06540	1.1
280.07187	0.6
283.06018	1.2
286.04700	1.0
289.03400	4.0
290.05905	0.5
291.06580	0.6
294.08856	0.4
295.06430	0.6
295.09717	1.3
305.08041	2.8
307.06024	1.0
308.06647	2.8
309.04001	0.4
309.07480	1.1
310.04709	3.4
314.78082	0.4
321.07550	0.4
323.05518	1.5
323.09073	13.4
324.09476	1.6
333.07455	3.0
335.05453	1.2
336.06247	11.5
337.06558	0.9
351.08600	100.0
351.11981	3.5
351.21295	2.2
352.08939	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	351.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05492	1.4
57.32727	0.4
57.37239	0.5
60.76989	0.4
61.66224	0.4
65.03925	0.4
67.05504	2.3
68.41198	0.4
68.99769	2.0
69.03405	2.1
69.07040	2.0
70.84872	1.5
74.86964	0.4
77.77338	0.5
79.05488	4.1
81.03392	1.2
81.07044	4.2
83.04974	0.8
85.06507	0.5
91.05473	4.1
92.99741	1.1
93.06528	0.6
93.07033	5.2
95.04932	1.8
95.08594	3.0
97.02811	0.6
99.08047	0.5
101.05998	1.2
103.05476	1.2
105.03379	0.5
105.07007	4.1
107.04929	4.4
107.08575	1.7
109.02866	1.0
109.10112	1.8
115.05418	0.5
117.06987	0.7
119.04945	2.3
119.08553	1.2
121.02856	1.1
121.06474	1.6
121.10137	1.5
123.04404	2.6
125.09627	0.5
127.03909	0.6
128.06201	0.6
129.06999	1.1
131.04889	1.1
131.08545	1.0
133.06456	1.8
133.10104	1.7
134.03624	1.4
135.04427	0.8
135.11674	0.6
137.02379	0.4
139.11191	0.6
143.04904	0.5
143.08537	0.6
145.10039	1.0
146.03462	0.5
147.04370	2.9
147.11621	1.0
149.02351	2.2
149.05972	4.1
149.13249	0.7
151.03874	1.0
155.04906	0.8
157.06470	1.0
159.11707	1.3
161.02312	4.7
161.05981	3.0
161.13182	0.7
169.10153	0.6
171.04376	0.9
173.05934	2.0
174.03127	1.0
174.06636	0.5
175.03870	3.4
175.14772	0.4
185.02179	0.5
185.05914	0.9
189.01753	0.9
189.05450	7.5
189.08990	0.9
193.04935	1.3
194.02109	1.5
197.05797	0.6
199.03903	0.7
199.07300	0.6
201.05380	0.7
202.02625	3.5
207.06467	6.7
213.05394	0.8
215.10619	0.8
217.04947	29.2
218.05305	1.0
220.03548	0.7
225.09135	0.6
225.16510	0.5
233.56061	0.5
234.06773	1.0
235.05930	7.4
249.09143	0.8
250.01308	0.5
251.06976	0.8
253.08600	2.7
262.06223	0.8
265.04935	0.5
267.10074	0.9
277.08524	1.5
277.20868	0.5
281.08020	1.7
283.05969	0.8
289.03516	1.4
290.05634	2.1
295.05945	0.8
295.09503	0.8
305.08029	7.7
306.08298	0.4
307.05856	0.6
308.07022	0.5
309.07431	1.0
318.05347	2.4
323.05795	0.6
323.09125	5.5
333.07443	11.1
333.24045	1.0
334.92172	0.5
335.04938	0.5
336.06250	2.3
351.08542	100.0
351.21295	3.3
351.25229	2.1
352.08884	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	351.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
56.96568	12.6
57.03434	3.0
58.99871	1.7
61.02923	4.8
69.03425	3.0
70.06572	1.8
71.04986	2.0
71.62197	2.5
72.08166	4.0
74.97604	1.6
77.00885	2.2
81.03411	3.4
83.04909	1.9
84.08138	4.9
84.96024	3.1
85.02902	6.1
97.02887	3.8
98.97591	8.6
101.00883	4.5
103.00632	4.4
109.02848	3.5
115.00600	2.4
115.02401	3.6
116.98605	14.0
119.01920	24.7
120.02022	3.8
121.01653	36.6
124.03209	1.9
127.03944	1.8
128.98573	2.4
131.01892	17.4
132.02007	1.8
133.01674	14.6
133.03476	7.6
134.99660	9.7
135.03207	3.6
137.02928	5.0
139.02715	6.6
143.01859	3.0
145.01613	3.3
145.03444	11.8
146.99608	4.6
147.03262	3.0
149.01176	2.4
149.02991	4.4
151.02713	4.9
151.04488	1.9
153.00671	2.0
155.01889	7.1
157.01634	2.3
157.03442	13.0
158.99632	2.4
159.05074	4.0
160.97556	2.3
161.01277	3.7
161.02989	7.7
163.02731	7.6
163.04497	4.2
165.00711	2.6
166.97942	1.8
168.04814	1.9
169.03476	4.9
170.99615	6.2
171.05034	9.7
173.02943	14.9
174.99173	2.7
175.02739	5.5
175.04541	7.4
177.00708	5.3
177.06056	1.8
182.99554	2.4
185.02975	9.0
187.00960	2.5
187.04510	7.8
189.00607	17.3
189.02251	2.7
189.06088	4.4
191.02332	3.7
191.03979	2.2
193.00246	3.7
197.02971	2.6
198.99153	3.4
199.01123	2.2
199.04510	4.3
201.00710	7.6
203.02254	3.2
203.03983	8.0
203.07903	1.9
205.03967	1.8
206.98146	2.3
215.00331	2.8
215.04019	2.6
217.00108	25.7
217.05563	4.1
219.01758	4.3
221.03178	3.4
221.05128	5.8
223.01175	2.2
231.01695	6.1
231.03638	3.5
233.03244	2.4
235.01439	2.2
235.06651	7.7
243.01891	5.0
245.05043	4.2
245.08636	2.0
247.03043	2.5
249.02696	29.1
249.08186	3.5
253.07724	18.3
261.02762	10.8
261.08209	5.5
263.06155	3.6
265.99954	2.3
269.05533	3.3
272.04333	3.0
275.90903	1.7
279.03787	3.6
279.09125	10.7
289.07690	15.4
291.03979	6.1
305.07312	4.5
307.08749	16.9
309.06631	4.2
319.03296	1.7
323.08185	3.0
333.06555	14.4
351.07074	100.0
351.12451	96.4
351.18945	3.1
352.07416	5.0
369.08554	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	351.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.3
58.99873	1.3
66.38393	0.9
69.89014	6.6
77.06339	1.2
79.89072	1.0
82.99856	2.5
84.08135	2.8
85.01413	1.9
85.02855	1.1
94.99843	1.3
97.02954	1.2
98.97579	2.4
99.90845	1.0
101.00876	13.7
103.02445	12.3
113.00868	4.4
115.02409	5.1
116.98601	1.6
118.01126	2.2
119.01920	33.0
121.03491	6.5
127.02401	8.4
129.00320	2.2
131.01894	18.1
133.03458	43.8
133.24341	1.0
135.05074	1.2
137.02957	4.1
139.02385	1.2
139.73296	1.1
143.01883	21.3
145.03456	62.9
147.01382	17.6
147.05032	1.1
149.02896	2.3
151.04507	17.5
155.01874	22.7
157.03448	27.5
159.05023	5.0
161.02966	33.4
162.03085	1.4
163.04518	9.6
165.02550	2.5
169.03412	2.6
171.01411	4.1
171.04973	1.4
173.02954	49.7
174.03719	4.1
175.02965	2.1
175.04515	44.7
177.06042	1.4
179.00723	1.7
185.02957	32.3
187.04517	31.3
189.02460	10.4
191.04008	3.5
196.04549	2.3
197.03003	1.3
199.04605	2.5
203.00865	3.1
203.03993	84.3
204.04257	2.2
207.03548	1.8
215.04012	21.9
217.02184	1.3
217.05553	4.7
221.01805	8.9
221.05006	15.5
226.05586	2.9
227.04034	3.2
231.03462	3.3
233.05069	3.0
243.03535	1.4
245.05067	72.4
246.05255	1.3
263.06116	86.4
264.06360	2.8
273.01559	1.7
273.04459	8.8
279.05707	2.5
281.00546	1.4
286.07794	3.9
291.02493	4.1
291.05557	40.5
309.03488	5.4
309.06641	71.0
310.06802	2.1
314.07126	1.2
328.23917	1.2
332.08282	3.1
333.06625	2.0
351.07721	100.0
352.07919	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06733	0.8
53.03937	1.2
55.01859	0.8
55.05257	0.8
55.05504	9.5
57.03413	2.0
57.07050	0.6
58.06591	3.6
59.04973	1.5
61.02908	1.4
63.66541	0.6
67.05495	1.5
69.03422	6.1
70.06573	2.7
71.01330	0.8
71.04976	1.4
71.14910	1.7
72.08129	3.6
72.45317	0.7
73.02906	1.3
81.03394	3.6
83.04970	5.5
84.04440	1.2
84.08135	43.1
85.02417	1.3
85.02898	19.1
85.06532	2.2
86.09684	1.6
87.04463	1.5
91.05426	1.0
93.07066	1.4
95.08559	1.1
97.02907	3.7
97.55932	0.7
98.09753	1.0
98.97541	0.7
99.04440	2.7
99.48249	0.7
100.11225	2.5
101.05360	1.4
101.06010	24.1
107.79305	0.7
109.02879	3.4
110.06035	0.7
111.04424	1.1
119.04972	0.8
121.02820	1.3
127.03884	3.7
128.10707	22.5
133.48024	0.7
135.07988	0.7
145.04927	2.3
146.10651	1.4
146.11746	20.3
147.04393	3.2
165.42737	0.7
177.96217	0.8
188.03712	2.9
188.09201	1.1
188.12735	4.1
191.11409	0.8
201.00700	0.8
218.13849	0.9
228.90657	0.7
230.13831	1.7
248.14844	3.5
272.14838	4.0
290.15967	19.9
308.17169	0.9
350.21695	100.0
351.15469	1.5
351.22070	1.3
356.74338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01418	0.9
51.32853	0.9
53.03943	1.2
55.01865	2.0
55.05499	1.2
56.05018	1.6
56.96562	0.9
57.03432	1.3
60.04519	1.0
61.02917	2.3
65.03935	6.0
68.99771	1.4
69.03433	5.3
70.06580	4.0
71.04984	1.4
71.62665	1.3
72.08145	3.6
73.02897	1.6
80.14276	0.9
81.03414	4.6
83.04972	2.6
84.04500	23.0
84.08128	3.3
85.02415	1.4
85.02898	17.6
86.06067	1.5
86.09704	1.9
86.22672	0.9
86.91443	0.9
87.04450	1.3
91.05467	1.2
93.03397	2.0
96.08135	1.2
97.02869	6.8
97.95336	0.9
98.06049	1.8
98.09686	1.1
98.97572	1.4
99.04404	1.6
103.03943	1.2
109.02861	6.7
110.05996	1.0
111.03690	2.1
111.04430	27.5
112.07611	1.1
116.07031	1.1
121.02795	1.1
126.05496	1.1
127.03905	10.9
130.04974	3.2
130.06516	1.6
136.06451	0.8
136.07526	1.0
139.03886	69.7
140.07071	1.5
145.04921	4.9
147.04405	2.4
153.06570	1.8
154.04987	1.5
154.08617	3.6
156.04149	2.5
167.06894	1.0
170.08124	1.9
170.11682	1.1
171.06514	100.0
172.06900	1.6
180.08566	1.1
188.03702	1.2
188.09192	2.8
188.12846	5.3
209.76840	1.1
219.01750	1.3
228.08757	1.2
256.08157	3.6
274.09152	2.9
350.17523	2.2
350.24405	0.9
350.28122	1.4
351.19159	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
50.22630	0.3
51.30029	0.3
55.05503	1.9
57.07071	3.8
58.37671	0.3
60.82334	0.3
67.05504	2.4
69.07061	2.8
70.80072	0.9
71.04968	0.5
71.08632	2.7
71.55488	0.3
79.05491	1.7
80.13730	0.3
81.07050	5.0
83.08615	0.7
85.06544	1.9
91.05469	1.1
93.07040	1.6
95.04956	0.5
95.08596	3.8
97.06511	0.5
99.08081	1.2
105.07015	1.2
107.08583	2.3
109.06506	16.4
109.10170	1.8
111.08059	0.7
119.08563	1.8
121.10130	1.8
122.07288	1.4
123.08057	23.6
123.11696	0.7
124.08288	0.3
133.10126	1.3
135.08026	2.5
135.11655	0.7
136.08781	0.4
137.09581	0.9
137.13246	0.4
145.10133	0.7
147.11656	0.7
149.09584	0.5
156.62111	0.4
159.11693	0.5
161.13249	0.7
165.12726	0.9
167.14351	0.6
173.13242	0.4
179.14293	98.5
180.14630	2.0
193.15837	2.3
205.15799	0.4
233.19043	0.6
257.47653	0.4
289.25247	0.4
293.20990	1.3
303.84930	0.3
331.26239	2.6
349.10751	1.3
349.27338	100.0
350.27664	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	350.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72079	1.4
55.01857	4.4
55.05498	4.6
56.96560	23.2
57.03433	11.6
59.04963	1.7
61.02913	5.1
61.77395	1.5
67.05497	2.1
69.03407	5.3
69.29295	1.4
70.06573	6.8
71.04990	65.5
71.39301	1.9
72.08141	7.1
73.02899	6.5
73.08521	1.6
75.04461	3.5
78.17142	1.6
79.05473	3.7
81.03400	4.7
81.07053	12.2
82.06593	1.7
83.04964	6.6
84.04537	1.6
84.08136	4.2
84.96012	1.9
85.02901	78.5
85.06536	5.6
86.03224	3.0
86.09702	32.4
87.04455	1.9
88.02207	7.4
90.05524	2.6
91.05450	3.5
93.07025	9.1
95.04949	2.3
95.08582	6.1
97.02884	4.0
98.86366	1.6
98.97583	19.0
99.04446	4.8
103.03922	4.1
105.07040	2.4
107.04967	7.9
107.08571	7.5
109.02867	5.6
109.06477	1.9
109.10128	4.5
110.06022	7.4
111.04422	6.9
116.98611	20.6
119.04932	7.9
119.08526	1.9
120.08105	12.7
121.02856	20.4
122.03182	7.0
127.03874	2.8
128.07071	6.0
128.98616	9.3
129.05473	12.9
131.00168	2.2
131.04886	2.3
133.10143	3.9
134.02699	5.3
134.99652	18.0
135.04430	2.7
135.11693	8.5
137.13231	3.5
142.06511	1.6
143.00101	3.4
145.02823	3.9
146.99657	13.9
147.04364	5.3
148.04755	2.0
149.01187	3.0
149.05934	1.7
152.07082	3.1
157.13329	10.0
158.01286	2.5
158.99625	2.3
161.01173	6.2
163.03915	4.5
166.08591	9.1
170.08084	5.9
175.03914	3.7
175.14833	2.0
177.00703	6.2
177.05467	4.1
180.02518	5.5
185.01349	3.0
185.12883	12.0
188.02299	12.6
188.09172	9.0
188.52499	3.0
193.15875	11.3
194.02252	3.4
195.02966	4.8
199.53123	1.6
200.02292	7.6
203.03395	11.0
204.03764	8.9
209.02841	6.2
211.53296	1.8
212.02339	2.4
215.02795	5.1
216.07538	1.8
221.04492	5.1
222.04922	3.3
227.02716	2.3
232.03137	2.8
236.03345	11.3
236.53824	2.2
237.12367	4.6
243.97322	1.9
245.03896	21.5
245.54004	3.3
249.04163	2.5
254.04398	30.2
254.54558	1.8
255.04337	2.4
256.54630	5.6
258.04636	5.7
265.55215	5.5
266.05167	2.8
267.05124	2.2
271.05954	5.7
279.05316	2.7
283.06049	10.6
284.06796	11.6
293.07986	5.5
294.08258	5.9
295.06082	8.6
295.09097	2.2
296.06317	2.5
297.07605	3.3
300.05634	2.0
305.07712	2.5
306.08459	2.8
307.05884	6.3
308.06552	4.9
309.06168	11.8
309.56323	4.1
313.03561	3.7
313.07050	55.6
314.07266	7.1
314.17816	6.7
318.06787	16.4
318.56903	4.2
321.07367	13.1
322.07944	38.2
323.09161	8.4
327.07266	35.1
327.57587	9.4
329.57535	8.3
336.07614	6.9
338.58279	9.9
339.08383	3.3
343.08472	2.6
344.01892	2.7
345.02798	9.4
350.07401	100.0
350.22012	6.6
351.01700	7.3
351.08572	36.3
354.00497	2.6
357.02664	5.3
359.04233	3.5
369.02774	23.0
372.01443	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01863	0.7
55.05498	4.7
57.03427	0.9
57.07058	0.9
67.05499	4.4
69.06708	0.8
69.07059	8.5
71.04977	1.5
71.08603	0.5
71.13251	1.0
79.05466	3.4
80.09631	0.4
81.07048	7.9
82.10900	0.4
83.04974	0.8
83.08602	3.6
85.06496	0.6
91.05476	1.6
93.07021	4.3
95.04964	0.6
95.08593	6.3
97.06522	1.3
97.10156	1.2
105.07011	2.6
107.08587	6.5
109.06493	8.5
109.10135	2.5
109.39723	0.5
111.08043	1.7
117.06986	0.5
119.08549	3.7
120.26951	0.4
121.06468	0.8
121.10104	3.9
123.08049	63.1
123.11685	1.6
124.08342	0.7
125.09615	0.7
131.08574	0.8
133.10138	2.4
135.08037	4.5
135.11725	2.0
137.09602	3.5
137.13223	0.6
145.04509	0.4
145.10110	1.2
147.11678	1.9
149.09602	1.3
149.13240	2.3
159.11668	1.2
161.13242	1.6
163.11157	0.6
165.12691	0.6
167.14349	0.5
173.13210	0.7
175.14795	0.6
177.12718	0.4
179.14258	4.1
233.18967	0.9
240.27087	0.5
247.20378	0.5
263.19693	0.4
275.20026	2.9
281.21411	0.6
289.25143	0.9
293.17773	1.1
293.21054	17.9
294.21518	0.8
303.26868	0.6
307.22546	0.8
331.26337	2.7
349.27325	100.0
350.23746	0.6
350.27600	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	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.22837	0.4
53.03926	0.5
54.53136	0.3
55.01859	0.6
55.05502	5.5
57.07062	1.7
59.05013	0.5
67.05159	0.6
67.05498	5.3
69.07063	10.3
69.36004	4.1
69.36288	0.4
71.04981	1.6
73.06549	0.6
73.13576	0.4
79.05482	3.6
81.07049	7.9
83.04948	0.7
83.08613	4.4
85.06526	0.5
91.05469	1.3
93.07040	4.9
95.04927	0.6
95.08600	7.7
97.06526	1.9
97.10170	1.2
97.58131	0.3
99.08060	0.7
105.07038	2.8
107.08582	5.2
109.06508	11.9
109.10153	3.4
111.08065	2.2
119.08565	3.5
121.06499	0.5
121.10147	3.9
122.07242	0.6
123.08057	69.1
123.11658	1.8
124.08401	0.8
125.09585	0.6
131.08540	0.8
133.10112	2.4
135.08044	4.9
135.11699	2.2
137.09619	4.5
137.13237	0.6
139.11133	0.4
142.10645	0.4
145.10104	1.3
147.11697	2.4
149.09596	1.5
149.13232	1.6
151.11180	0.7
159.11690	1.5
160.96112	0.4
161.13263	1.3
163.11160	0.5
165.12738	0.9
167.14392	0.4
167.48465	0.3
175.14851	0.6
177.12730	0.6
179.14299	11.9
183.78615	0.4
187.14864	0.5
193.15938	0.4
233.19006	1.0
247.20425	0.4
263.19952	0.4
275.20087	2.7
281.21103	0.5
289.25266	0.8
293.21085	14.9
294.21484	0.7
303.26871	0.6
307.22614	0.6
331.26382	2.8
349.27341	100.0
350.27658	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01861	0.7
55.05505	3.7
57.07070	4.3
67.05493	4.2
69.07059	6.5
70.23000	0.6
70.43536	1.9
71.04979	0.7
71.08617	1.5
79.05489	3.7
81.07055	8.0
83.04967	0.9
83.08604	2.4
85.06542	2.8
91.05474	2.1
93.07039	4.2
95.04935	0.9
95.08593	6.8
97.06491	1.6
97.10175	1.0
105.07023	2.8
107.08601	3.7
109.06514	14.6
109.10143	3.4
111.08067	1.6
119.08572	2.9
120.46460	0.5
121.06495	0.6
121.10131	3.3
122.07272	1.4
123.08060	41.6
123.11694	1.3
125.09664	0.6
131.08548	1.4
133.10117	2.4
135.08029	3.6
135.11711	1.6
136.08794	0.8
137.09619	1.7
137.13260	1.2
145.10098	1.4
147.11711	1.6
149.09581	1.2
149.13214	1.2
151.07643	1.1
151.46123	0.6
159.11705	1.1
161.13275	1.0
166.03200	0.7
173.13260	0.8
177.16281	0.7
179.14302	67.8
180.14630	1.1
193.15880	2.1
233.18811	0.6
252.23135	0.6
275.20059	1.3
277.95822	0.6
292.68466	0.7
293.21121	7.3
303.26862	0.8
313.25360	1.1
331.26282	2.8
349.27350	100.0
350.27820	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	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.01989	0.5
55.05509	3.4
57.07071	3.7
58.52726	0.5
67.05501	4.0
67.17197	0.4
69.06766	0.5
69.07069	5.3
69.36972	0.5
69.68749	1.2
69.69159	3.1
71.04967	0.8
71.08630	2.5
73.06589	0.6
73.27639	0.5
79.05492	2.6
81.07053	8.1
83.08604	2.2
85.06524	1.8
91.05463	2.0
93.07033	4.1
95.04964	0.5
95.08594	5.8
97.06533	0.8
97.10159	1.0
99.08069	1.0
105.07018	2.2
107.08584	4.2
109.06513	13.1
109.10162	2.9
111.08067	0.7
119.08555	2.1
121.06496	0.9
121.10114	2.6
123.08054	35.1
123.11678	1.7
131.08572	1.0
133.10153	2.4
135.08037	2.6
135.11693	1.2
137.09636	1.3
137.13217	0.6
145.10094	1.5
147.11661	1.7
149.09607	0.9
149.13239	1.2
159.11697	0.9
161.13307	0.6
165.12766	0.8
179.14296	63.9
180.14656	1.6
185.13132	0.6
193.15929	1.7
209.29524	0.5
275.20007	1.2
293.21106	4.9
313.25580	0.5
331.26349	2.8
349.27335	100.0
350.27585	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01870	6.0
55.05509	14.7
56.96552	2.4
57.03434	17.1
57.07060	2.5
65.03928	2.0
67.05499	30.5
69.03414	2.4
69.06715	1.2
69.07062	16.5
69.84188	0.7
70.25114	2.9
71.04977	2.0
79.05486	31.2
81.03399	1.9
81.07049	32.8
83.04967	8.1
83.08613	6.7
84.96021	1.0
85.06526	2.7
91.05472	28.3
93.07037	31.6
95.04960	7.3
95.08599	20.3
97.06516	4.5
97.10155	4.8
98.97556	0.8
103.05415	1.2
105.07021	32.6
106.07349	1.2
107.04946	11.1
107.07851	1.6
107.08588	29.5
109.06503	12.3
109.10135	11.4
111.08076	2.6
115.05463	1.3
116.98589	2.0
117.07006	11.1
119.08569	18.8
121.06490	11.9
121.10143	9.9
123.08055	6.9
123.11729	3.6
125.09632	2.8
128.06233	1.0
129.06969	3.2
130.07747	0.8
131.08553	20.7
133.06485	2.9
133.10118	20.1
134.99637	1.8
135.08051	5.5
135.11678	6.4
137.09584	1.9
141.06984	1.9
143.08546	4.1
144.09398	0.7
145.06487	2.5
145.10112	26.5
146.99588	0.9
147.08028	3.7
147.11673	13.6
149.09615	6.5
149.13216	3.1
151.11179	6.2
153.09102	0.6
155.08606	1.8
157.10138	4.7
159.08026	1.7
159.10445	0.9
159.11681	12.5
161.01202	0.9
161.09581	3.2
161.13248	6.4
161.80614	0.8
163.11147	6.7
163.14806	0.9
165.12695	1.4
169.10153	2.7
171.11684	4.9
173.09602	2.6
173.13249	7.2
175.11172	2.2
175.14848	1.7
177.12717	2.9
179.14340	1.6
183.11670	4.3
185.13243	2.6
187.11162	2.1
187.14825	1.4
189.11206	1.8
189.12733	1.3
191.14273	2.8
197.13268	2.5
199.14754	0.9
201.12726	4.1
201.16454	1.2
203.14380	1.1
205.19435	1.3
207.13747	2.9
211.14803	1.3
213.16380	0.9
215.17911	1.2
219.01694	1.1
219.13838	3.6
219.17377	1.7
219.20651	0.8
229.19482	2.9
231.17389	1.1
233.19131	0.7
237.14784	1.2
239.17947	6.7
240.17990	1.0
247.20546	4.3
257.18976	22.7
258.19342	1.0
275.20035	100.0
276.20364	5.6
288.05701	0.8
291.04672	0.7
293.21072	8.1
324.06396	3.3
331.09479	1.4
331.22614	2.4
339.08563	6.5
349.06958	1.2
349.10623	5.7
349.20053	3.5
349.23691	63.6
350.23996	4.6
357.09784	1.6
374.94202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01867	4.3
55.05268	0.9
55.05505	15.4
57.03432	20.9
57.07049	1.0
65.03915	1.5
67.05501	28.3
69.03419	1.9
69.07060	13.2
69.86348	3.6
69.86757	2.4
71.04961	2.9
75.04456	1.4
79.05486	32.3
81.03400	1.6
81.07052	29.4
83.00230	0.8
83.04969	2.0
83.08611	7.3
85.02900	1.2
85.06522	4.0
91.05475	36.4
93.07037	31.5
95.04951	5.3
95.08600	24.9
97.06526	4.2
97.10164	2.8
99.08083	2.0
103.05461	1.3
105.04518	0.9
105.07019	47.9
106.07321	2.0
107.04953	4.6
107.08587	25.8
109.06496	4.3
109.10136	8.7
111.08057	4.0
115.05471	1.8
116.06223	1.5
117.01110	0.9
117.07011	27.8
119.08572	38.6
121.06512	1.2
121.10131	11.1
123.08039	3.6
123.11664	1.5
125.09597	3.4
128.06204	2.1
129.06989	8.8
130.07741	3.1
131.08551	31.1
133.06491	1.1
133.10115	20.9
135.08057	2.6
135.11659	6.5
137.09593	1.5
141.06976	2.7
142.07782	1.2
143.08548	10.8
144.09322	1.6
145.10107	50.3
146.10585	1.6
147.08012	1.7
147.11678	22.1
149.09613	7.4
149.13266	2.5
154.07813	1.0
155.08537	4.3
157.10115	17.6
159.08058	1.3
159.11674	52.2
160.12004	2.4
161.09604	4.3
161.13237	11.0
163.11107	3.6
163.14774	1.2
164.41924	0.9
165.12762	0.8
169.10112	7.2
171.11667	9.4
173.09642	1.3
173.13239	16.8
174.13713	1.1
175.11104	2.2
175.14801	4.1
177.12726	2.1
183.11696	9.1
185.13257	11.6
187.11098	1.4
187.14806	2.8
189.11211	1.4
189.16357	1.0
191.14336	1.3
193.12134	1.1
197.13264	6.3
199.14755	1.5
201.12775	1.3
201.16341	2.7
203.14281	4.9
210.83981	1.0
211.14801	3.8
213.16396	1.5
215.14313	1.4
215.17914	3.8
219.17389	7.7
221.15335	1.4
229.19411	7.6
239.17950	20.5
240.18237	1.4
247.20628	1.0
257.18970	43.7
258.19315	3.7
259.20642	1.4
267.09201	0.9
275.20035	29.4
276.20386	2.1
277.17953	2.7
285.10089	2.4
304.01874	0.9
331.22632	3.3
349.10596	3.7
349.20251	4.1
349.23688	100.0
350.10855	1.0
350.24002	8.4
373.21921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.90164	1.2
52.15688	1.2
53.70275	1.3
55.01859	3.6
55.05508	15.1
57.03433	36.9
65.03960	1.5
67.05495	25.6
69.07063	10.6
69.29521	1.3
71.04980	2.6
71.17334	3.2
79.05051	2.2
79.05491	31.6
81.07050	28.3
83.04982	3.6
83.08609	7.6
83.41676	1.2
85.06548	8.7
91.05474	51.3
93.07038	44.6
95.04987	6.8
95.08605	25.8
97.06509	3.3
97.10161	1.5
99.08057	2.2
105.07027	57.5
107.04945	2.9
107.08582	22.2
109.06518	5.5
109.10130	6.8
111.08058	3.9
115.05418	1.8
117.07010	25.6
119.08573	48.2
121.06519	2.5
121.10143	11.1
123.08067	3.9
128.06187	2.6
129.06964	13.7
131.08568	31.6
133.10124	27.5
135.08047	2.1
135.11699	5.6
141.06953	2.8
142.07741	2.4
143.08546	10.7
145.10115	34.4
147.10570	1.1
147.11674	23.1
149.09610	5.9
149.13301	2.3
155.08559	3.2
157.10147	13.7
159.11679	50.1
160.12048	1.6
161.09625	3.7
161.13249	14.1
163.11147	2.6
163.14726	1.5
165.69777	1.5
169.10057	6.3
171.11726	6.7
173.13254	16.4
175.11139	3.4
175.14790	7.5
177.12685	2.0
183.11647	7.8
185.13234	27.0
187.14734	3.1
191.14227	2.6
197.13290	4.9
199.14870	1.6
201.12675	2.5
201.16408	5.2
203.14319	10.5
205.15907	1.8
211.14821	2.1
213.16322	2.5
215.17891	2.1
219.17421	16.8
221.15373	3.4
226.27298	1.4
229.19495	5.4
239.17906	17.6
257.18988	42.3
258.19333	1.4
268.18887	1.5
275.20047	33.2
277.17920	3.9
313.21353	1.5
331.22656	5.8
349.23712	100.0
350.23868	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
55.01863	11.4
55.05264	3.1
55.05511	49.4
56.05841	2.2
57.03435	21.8
57.07062	2.2
61.02933	4.4
65.03947	2.9
66.30946	2.0
67.05502	59.8
69.03429	5.7
69.07063	22.1
71.04990	4.4
71.07128	5.8
73.02891	2.0
79.05489	100.0
79.05956	5.1
80.05817	2.1
81.03412	10.1
81.07054	62.9
83.04982	27.4
83.08615	12.0
85.06543	3.2
91.05479	50.8
93.07040	71.8
94.75301	2.0
95.01323	4.6
95.04966	18.8
95.08604	32.9
97.02913	4.5
97.06528	7.8
97.10168	11.2
98.45163	2.3
103.05474	2.4
103.09492	2.5
105.07027	36.6
107.04948	27.1
107.08585	53.3
109.06514	10.1
109.10140	24.9
111.08073	5.9
113.06003	2.1
115.05458	2.4
117.07015	14.8
119.01833	1.8
119.08574	31.8
121.06503	5.0
121.10127	24.6
123.08101	11.1
123.11702	5.7
125.09608	15.2
129.06992	2.2
131.01814	2.1
131.08542	22.1
133.03459	11.7
133.06398	2.3
133.10123	28.7
135.08052	7.0
135.11693	5.7
137.09593	2.5
143.01901	2.9
143.08548	2.7
145.03429	2.9
145.10123	15.1
147.08044	2.7
147.11707	17.3
149.09613	43.3
149.13213	3.5
151.04494	5.7
153.09035	3.3
155.08479	1.9
157.10150	3.3
159.11688	12.2
161.02959	3.7
161.13248	6.2
163.11147	2.9
163.14822	3.3
169.10121	4.3
169.12262	3.6
171.11632	4.3
173.02965	3.1
173.11819	3.2
173.13252	7.1
175.04572	7.5
177.12741	3.7
179.14304	11.2
183.11717	2.6
187.04501	4.7
187.11194	3.8
187.14813	2.9
189.11205	7.3
191.14302	3.0
197.13182	2.8
201.06169	2.5
209.15314	6.0
211.06322	3.3
215.17938	2.8
217.05650	4.5
219.13844	2.0
229.12999	2.0
229.19498	3.7
239.18036	2.7
247.20445	3.7
257.18988	9.1
275.20059	53.0
276.20544	3.5
277.07739	3.5
295.08633	5.6
301.20126	5.4
341.16934	2.5
349.10858	6.4
349.23691	47.5
349.27435	12.5
350.17441	5.0
350.24014	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	19.9
55.01868	14.9
55.05505	28.9
57.03436	27.2
57.07051	3.3
61.02919	3.9
65.03946	2.6
65.17838	2.2
67.05501	78.2
69.03418	3.8
69.07063	75.1
70.72471	8.1
71.04983	3.7
79.05484	67.0
81.03409	34.6
81.07053	92.6
83.04975	18.7
83.08599	13.7
85.06516	8.2
88.66386	2.4
91.05475	76.0
93.07040	60.1
95.01318	27.3
95.04961	27.9
95.08596	72.3
97.02859	2.8
97.05972	2.9
97.06524	26.7
97.10154	5.4
99.08066	4.2
103.05415	2.7
105.07024	100.0
106.07349	3.6
107.04952	45.3
107.08598	26.6
109.06545	11.5
109.10134	13.3
111.08081	5.5
112.85338	3.0
115.05441	3.0
117.07004	27.0
119.07777	4.4
119.08572	54.7
121.06502	10.0
121.10148	16.1
123.08047	16.5
123.11696	2.8
125.09615	5.7
128.06187	2.7
129.06992	6.4
131.08551	38.2
133.03448	2.9
133.06483	2.7
133.10118	69.0
135.08035	8.0
135.11693	18.2
137.09572	2.8
137.13358	2.5
139.07500	2.7
141.06982	4.8
143.01900	2.8
143.08556	5.8
145.06477	8.4
145.10118	30.4
147.11688	29.3
149.09616	10.6
149.13254	11.8
151.11159	2.5
157.10136	5.6
159.11667	26.1
161.09564	5.0
161.13245	10.4
163.11182	7.9
165.09122	4.4
169.10130	5.5
171.11710	7.5
173.13254	5.9
177.12733	10.5
179.14314	44.8
183.11629	5.9
187.11188	13.3
189.12817	3.8
195.13838	3.4
197.13240	3.5
205.12129	4.1
211.14902	2.9
219.17332	3.0
229.19489	2.6
239.17845	3.5
241.14258	4.7
257.18948	12.6
275.20029	100.0
276.20377	3.4
285.59964	3.0
293.21045	4.0
301.20099	3.0
331.09659	2.6
349.10876	6.0
349.23697	84.7
349.27356	7.7
349.50058	2.5
350.17441	3.5
350.24203	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	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53219	0.9
54.95112	0.8
55.01867	1.7
55.05513	9.6
57.03431	34.4
57.07066	2.0
59.05005	1.2
65.03939	1.2
67.05125	0.8
67.05500	20.9
69.03419	2.1
69.07066	7.0
70.81272	2.8
71.04984	1.8
79.05492	22.6
81.03412	1.8
81.07051	25.7
83.04988	4.5
83.08617	3.6
85.06541	8.9
91.05472	33.9
93.07039	30.3
95.04971	5.5
95.08606	17.5
97.06519	3.1
99.04456	5.3
103.05457	1.1
105.07017	24.3
107.04948	3.4
107.08589	15.6
109.06506	9.7
109.10133	5.3
111.08078	3.0
117.07007	12.9
119.08570	22.2
121.06468	2.5
121.10130	10.9
123.08066	4.9
123.11667	1.0
129.06998	3.9
131.08549	16.8
133.10117	14.4
135.08058	4.4
135.11667	7.0
137.09625	2.8
143.08597	3.2
145.10100	11.0
147.11664	6.4
149.09648	1.9
149.13240	1.6
153.12741	2.4
157.10110	3.0
159.11673	6.1
161.13228	2.4
162.71553	0.9
163.11165	1.8
163.14790	1.1
169.10109	1.0
171.11746	1.9
173.13310	4.2
175.14806	1.8
179.14355	1.7
185.13240	2.6
188.48508	0.9
191.14297	1.4
201.16364	5.4
203.14320	3.0
209.15355	2.4
219.17424	100.0
220.17801	3.6
239.17943	1.4
257.18924	2.7
275.20020	15.7
277.59390	0.9
295.06006	1.3
331.09406	1.6
349.06961	1.8
349.10693	6.6
349.23700	26.1
349.27194	2.1
349.33859	2.0
350.11057	1.3
350.24228	2.0
354.47778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07164	0.2
55.01864	0.5
55.05509	1.4
56.96565	17.8
57.03431	1.1
57.07072	0.4
67.05500	3.0
69.03432	0.3
69.07062	2.3
70.04074	100.0
70.17767	1.1
71.05000	0.4
71.95261	0.8
72.08145	0.3
74.97613	0.3
78.69387	0.2
79.05488	2.4
81.07050	3.4
83.04979	0.7
83.08633	0.6
86.97680	0.2
91.05482	2.6
93.07030	2.7
95.04985	1.0
95.08601	2.3
97.06528	0.5
97.10149	0.4
99.00040	0.5
103.35358	0.2
105.07018	2.7
107.04964	0.9
107.08575	2.1
109.06511	1.5
109.10146	1.2
110.97617	0.3
117.07033	0.8
118.04192	0.5
119.04960	0.4
119.08579	2.0
121.06525	0.9
121.10126	1.2
123.01261	0.5
123.08066	3.0
123.11731	0.4
125.01572	0.9
126.99496	0.7
128.06261	0.3
129.06990	0.5
131.08553	1.8
133.06519	0.3
133.10123	1.9
134.57193	0.2
135.08061	0.6
135.11726	0.4
135.52892	0.3
137.09615	0.4
141.02223	0.5
142.27357	0.3
143.08595	0.6
145.10094	1.7
146.99684	0.7
147.08047	0.4
147.11716	1.1
149.09572	0.6
149.13260	0.4
151.11183	0.3
154.01868	0.6
154.07683	0.4
155.03835	0.7
157.35643	0.3
159.08156	0.4
159.11699	1.1
161.09711	0.4
161.13281	0.6
163.11157	0.6
166.75786	0.3
167.07036	0.3
169.05313	0.3
169.10193	0.4
171.11792	0.5
173.04866	1.2
173.13290	0.7
179.14301	3.9
183.03302	0.3
183.11638	0.4
185.04836	0.3
187.02713	0.3
187.11224	0.3
191.06012	0.7
199.06390	0.5
201.12685	0.4
203.14297	0.3
205.07497	0.2
207.13750	0.2
209.08527	0.2
211.06459	0.5
213.05782	0.4
213.08015	0.9
217.04137	0.3
217.07542	0.7
219.14000	0.3
223.06555	0.3
225.08072	0.5
229.07483	1.2
229.19632	0.3
231.09119	0.9
239.17958	0.4
243.09065	0.4
247.08678	0.7
252.09004	0.3
255.08987	0.3
257.19058	1.3
263.00467	0.3
273.10022	0.5
275.20059	7.8
276.20459	0.6
281.01349	0.5
285.15515	1.0
287.16754	0.3
293.21188	1.2
295.06143	0.8
301.14890	0.4
303.16287	7.9
304.16824	0.6
307.09631	0.3
313.14816	0.7
321.17319	2.4
331.09714	1.6
331.15768	3.8
332.16107	0.4
333.56012	0.3
344.19037	0.9
349.07013	0.5
349.10776	6.2
349.17001	9.2
349.23764	4.3
349.27542	5.7
350.04578	14.3
350.11389	0.9
350.17352	0.9
350.23785	0.3
354.17441	0.3
367.17847	3.7
368.18140	0.4
372.18555	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.01868	4.0
55.05509	11.6
56.96552	0.7
57.03434	14.7
57.07066	2.6
65.03914	1.4
67.05500	26.2
69.03395	1.6
69.07060	16.9
70.88561	1.4
71.04964	1.7
71.97172	0.5
76.99606	0.5
79.05487	21.5
80.56516	0.5
81.03386	1.2
81.07050	34.7
83.04551	0.6
83.04976	8.0
83.08613	4.8
85.06531	1.3
91.04900	0.8
91.05473	22.4
93.07037	32.3
95.04960	9.1
95.08601	21.2
97.06514	5.2
97.10165	2.5
103.05432	0.8
105.07021	26.0
107.04944	9.2
107.08591	19.8
109.06511	11.9
109.10150	8.0
111.08039	2.1
117.06326	0.7
117.07016	7.9
119.08572	15.9
121.06499	12.9
121.10129	10.7
123.08061	9.0
123.11677	2.5
125.09618	1.4
129.07011	3.5
130.07765	0.7
131.08556	17.3
133.06511	3.1
133.10126	19.7
135.08028	4.4
135.11685	6.3
137.05972	0.9
137.09616	2.8
137.13228	0.6
139.07520	0.7
141.06964	0.9
142.07820	0.7
143.08554	3.4
145.06464	1.9
145.09026	0.9
145.10109	13.6
147.08041	3.7
147.11678	12.4
149.09624	6.8
149.13281	2.6
151.11171	4.8
153.07025	0.6
153.09056	0.6
155.08514	1.9
157.10091	4.3
159.08075	2.5
159.11681	9.0
161.09607	3.5
161.13223	3.6
163.11157	6.4
163.14856	1.0
165.12720	1.0
169.10057	1.6
171.11688	2.6
173.09627	3.4
173.13234	6.3
175.11180	3.2
175.14777	0.6
177.12688	2.6
179.10579	0.5
179.14322	4.3
183.11702	2.4
184.47272	0.5
185.13235	1.2
187.11086	2.7
187.14806	1.8
189.12718	1.2
191.14261	3.1
193.12129	0.8
197.13278	2.0
199.14659	0.7
201.12715	3.9
203.14296	1.2
205.19511	1.0
207.13823	3.3
211.14851	1.1
213.05403	0.6
213.16345	0.9
215.14392	1.4
215.17894	1.8
217.15860	0.8
219.13811	4.2
219.17249	0.7
225.14764	0.7
229.19455	2.8
231.17397	1.3
233.15331	1.2
233.18921	1.1
237.14799	0.6
239.17867	3.8
247.20648	3.7
257.18994	14.3
258.19293	1.0
275.20038	100.0
276.20425	4.4
293.21072	9.5
295.05991	1.0
331.09641	2.4
331.23016	0.9
349.07031	0.8
349.10791	7.5
349.23703	46.9
349.27438	5.2
350.10983	0.7
350.23944	2.5
369.26575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16754	2.1
53.03935	15.6
53.75913	2.1
55.01870	17.9
55.05505	27.8
57.03434	23.7
57.07068	3.0
62.06085	2.9
65.03908	4.8
65.38654	2.2
67.05497	60.7
69.03414	3.2
69.07063	55.8
70.68123	8.4
71.04984	2.9
71.91863	2.2
79.05052	5.0
79.05482	59.7
81.03407	22.1
81.06569	5.3
81.07050	84.0
83.04982	14.2
83.08628	10.9
85.06541	4.0
88.44668	2.5
91.05471	69.9
92.05776	2.8
93.07030	56.1
95.01305	18.1
95.04953	22.0
95.08598	50.7
96.81017	2.1
97.06510	27.5
97.10165	8.8
99.04427	2.8
99.08083	2.5
103.05492	4.0
105.07018	86.1
107.04937	33.6
107.08588	42.6
109.06548	11.7
109.10169	14.1
111.08063	3.4
117.07005	24.4
119.08569	52.1
121.06519	7.3
121.10123	18.5
123.04430	7.7
123.08048	11.0
123.11708	5.9
125.09618	3.7
128.06197	2.6
129.06987	9.3
131.08556	41.3
133.10117	58.9
135.08058	6.8
135.11710	13.4
136.69998	2.7
137.09595	5.1
141.07007	4.6
143.08560	10.0
145.06470	8.2
145.10114	57.5
146.10648	2.2
147.11678	29.1
149.09610	14.8
149.13237	7.0
155.08528	4.7
157.10133	8.3
159.11664	31.5
161.13242	9.3
163.11162	7.4
169.10138	7.5
171.11691	9.1
173.13243	10.3
175.14798	2.4
177.12753	10.3
179.14278	24.2
183.11691	5.7
185.13197	3.7
187.11203	9.3
187.14856	4.3
189.11288	2.9
197.13220	6.6
199.14857	3.2
205.12274	4.3
211.42854	2.6
219.17494	4.1
229.19560	4.1
239.17889	11.9
241.14244	2.9
247.20506	3.1
257.19006	38.7
275.20035	81.1
276.20358	5.5
303.10138	3.2
331.09604	8.7
331.22552	6.2
349.07001	5.0
349.10672	20.7
349.14981	3.7
349.19812	28.6
349.23718	100.0
349.27734	4.8
350.24008	6.1
374.68765	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80293	1.5
53.03938	5.0
55.01849	5.4
55.05508	19.1
56.54276	1.6
56.96550	2.7
57.03188	2.4
57.03434	29.7
57.07059	3.4
65.03922	2.3
66.14608	1.5
67.05171	2.3
67.05499	39.9
69.03403	6.0
69.07064	21.1
71.04960	6.8
71.62469	3.0
79.05057	2.5
79.05486	46.5
81.03406	4.1
81.07051	59.5
82.07406	2.4
83.04962	7.6
83.08611	14.6
83.74577	1.4
85.02889	4.4
85.06530	9.6
91.05474	62.8
93.06467	2.9
93.07034	53.7
95.04965	9.5
95.08044	2.8
95.08601	41.0
96.08894	1.8
97.02863	6.1
97.06493	9.5
97.10159	6.0
98.06869	1.6
99.04438	2.6
99.08064	3.7
103.05474	3.3
105.07022	75.0
106.07330	2.4
107.04913	6.5
107.08587	43.2
109.02855	4.1
109.06522	12.2
109.10145	16.9
111.04417	2.5
111.08059	8.5
115.05444	2.9
117.06998	28.5
119.08569	60.5
120.08891	2.5
121.06477	5.5
121.10133	20.6
123.04410	3.2
123.08025	7.3
123.11680	6.0
125.09622	5.5
127.03904	2.7
127.07523	2.6
128.06206	2.9
129.05496	2.3
129.06973	15.7
130.07764	2.3
131.08563	37.5
132.08846	1.8
133.10120	39.2
135.08025	6.6
135.11684	10.9
137.06023	2.5
137.09595	5.4
139.06337	1.8
141.06946	3.2
142.07735	1.7
143.08560	14.2
145.06482	2.0
145.10098	54.7
146.10417	1.7
147.04422	8.4
147.08049	2.9
147.11665	29.1
149.05894	1.8
149.09618	12.0
149.13197	6.3
151.11214	4.8
154.07816	1.7
155.08510	4.7
157.10100	20.9
158.10599	1.7
159.08110	2.8
159.11684	52.5
161.09587	4.0
161.13225	21.5
163.03821	2.0
163.11156	6.5
163.14777	3.1
164.04224	1.6
165.12749	1.5
167.06992	2.0
169.10057	8.0
170.10835	1.7
171.11699	11.6
173.06065	1.6
173.09518	2.0
173.13251	16.7
175.11185	5.0
175.14830	7.8
176.90141	1.6
177.05452	5.1
177.12743	3.9
179.14177	1.9
183.11719	9.4
185.13275	23.6
187.11043	2.5
187.14754	3.8
189.12704	3.0
197.13257	7.3
198.82039	1.8
199.14815	3.3
201.12738	2.5
201.16388	5.6
203.14275	11.2
203.18050	2.2
211.14731	5.7
213.05304	2.3
213.16327	2.1
215.17955	4.3
219.13792	1.7
219.17451	11.1
221.15303	3.0
229.19499	4.0
230.70378	1.8
235.17010	1.9
239.17929	21.3
257.18988	41.0
258.19357	2.6
260.10046	3.0
275.20035	36.7
276.20374	2.7
277.17917	3.2
295.06042	2.4
313.21628	2.5
331.09720	4.4
331.22577	11.4
331.26343	4.6
349.06848	7.8
349.10645	16.3
349.20087	5.5
349.23666	100.0
349.27170	5.3
350.07602	3.6
350.23798	7.6
350.35010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1982
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
53.03946	0.5
55.05502	1.6
57.03422	0.9
58.06589	0.4
63.81353	0.3
65.03951	0.4
67.05511	2.2
69.03422	0.5
69.07058	1.5
79.05491	3.3
81.03401	0.4
81.07039	3.3
83.04987	0.6
83.08623	0.8
85.02921	0.5
85.06533	0.5
91.05485	2.6
93.07034	2.7
95.04961	0.9
95.08600	2.2
97.02922	0.7
97.06527	0.6
99.04420	0.5
105.07023	3.5
105.13692	0.4
107.04942	0.6
107.08594	1.9
109.06554	0.8
109.10134	1.4
117.07014	1.4
119.08585	2.9
121.10162	1.1
123.08070	0.6
129.06964	0.4
131.08542	1.3
133.10120	1.7
135.07982	0.4
135.11719	0.7
137.05748	2.8
143.08568	0.9
145.10120	2.5
147.04384	0.5
147.11659	1.8
149.09665	0.5
150.29562	0.3
151.11159	0.4
157.10123	1.1
159.11714	2.1
161.09593	0.5
161.13219	0.4
171.11732	0.5
173.13258	0.5
175.14774	0.6
179.14262	0.4
183.11658	0.4
185.13260	0.6
187.14757	0.4
197.13147	0.4
203.14320	0.4
203.80585	0.4
219.17497	0.4
221.11522	0.8
229.25882	0.4
235.13069	1.4
239.18042	0.5
257.19009	1.8
275.20056	2.3
303.19199	0.5
321.07574	0.7
331.09595	1.2
349.10895	8.6
349.19852	100.0
349.23480	5.5
350.11099	0.9
350.20078	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	349.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56976	0.7
53.03947	1.2
55.01853	1.7
55.05507	4.6
56.96564	1.1
57.03428	4.8
58.06614	0.9
67.05502	8.5
69.03429	1.5
69.07068	5.8
71.04984	1.3
71.62592	1.1
71.62985	0.7
72.08155	1.1
79.05485	9.1
81.03400	1.0
81.07056	10.7
83.04955	0.7
83.08611	2.4
83.46104	0.6
84.08131	1.7
85.02917	2.1
85.06534	1.1
91.05470	12.3
91.06005	1.1
93.07037	9.6
94.86517	0.6
95.04955	2.3
95.08600	8.6
97.02876	1.6
97.06538	1.9
97.10159	0.9
98.97585	0.9
99.08058	0.7
105.07022	11.7
107.04986	1.4
107.08575	7.6
109.06530	1.8
109.10184	2.9
111.08082	1.5
112.07627	0.8
116.98616	0.9
117.07009	5.7
119.08576	9.7
119.09357	1.0
121.06461	0.8
121.10130	3.5
123.08076	2.1
123.11704	0.8
125.09606	0.8
126.37749	0.6
127.03893	0.7
128.06230	1.0
129.07028	1.7
131.08551	6.2
133.10120	7.2
134.99683	0.8
135.08066	1.2
135.11673	2.2
137.05914	1.0
137.09612	1.0
137.13242	0.8
141.06998	0.9
142.07712	0.7
143.08574	2.0
145.10077	9.1
147.11690	5.2
149.09621	2.2
149.13293	1.3
151.11203	1.3
155.08589	1.1
156.09331	0.7
157.10074	3.1
159.11682	8.6
161.01274	0.7
161.09674	1.1
161.13255	2.8
163.03822	0.7
163.11201	1.3
165.12698	0.7
167.06996	1.5
169.10098	1.6
171.11652	1.8
173.09668	0.9
173.13264	4.2
175.14853	1.4
179.14348	0.8
183.11757	1.0
185.13348	3.1
187.11166	0.8
187.14789	0.7
191.14220	0.7
197.13228	1.6
199.14850	1.0
203.14374	1.5
215.17902	0.8
219.17471	1.8
229.19514	1.4
239.17874	4.1
257.18936	7.3
261.14597	1.1
263.12692	1.3
275.20123	7.0
275.22906	1.1
285.18326	0.8
287.19827	8.1
295.06030	0.8
303.10324	0.7
303.19266	4.4
304.22702	2.2
313.17801	1.6
331.09650	2.2
331.18903	10.2
331.22791	1.7
335.09015	0.7
349.07010	1.3
349.10806	9.3
349.19885	100.0
349.23792	18.4
350.07660	0.9
350.11447	1.4
350.19653	4.1
350.23685	8.3
351.11063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1773
Annotation	Imidocarb
Peak:m/z	Relative Intensity
56.96563	47.5
57.22795	1.9
59.71959	1.8
64.90817	1.8
67.05488	6.7
69.07078	4.7
69.13890	1.8
69.74505	15.2
71.95248	3.4
74.92940	1.8
78.31057	1.6
79.05482	9.4
80.83913	2.0
81.07039	13.7
87.56215	2.2
91.05448	8.8
91.27163	1.9
93.07005	5.5
95.08585	5.7
97.06516	2.7
98.20831	2.4
99.31898	1.8
102.97053	2.2
105.07024	6.0
107.08582	5.7
109.06473	5.2
109.10168	2.9
110.97593	3.6
119.08560	5.8
121.10156	3.9
123.08045	8.6
128.98573	9.2
131.08543	4.6
133.10181	2.4
137.02783	1.8
145.10088	3.4
146.99649	6.9
147.03290	2.2
147.04372	2.1
147.11653	2.5
159.11746	2.4
160.03888	7.2
161.01225	3.5
169.05292	3.2
171.03294	3.0
179.14337	11.4
179.15660	1.9
190.25974	2.0
194.23087	2.4
199.06328	3.6
203.05862	4.8
217.07430	9.3
223.08534	3.6
229.07460	2.3
237.04446	2.1
239.09656	2.9
240.09274	2.1
243.08963	5.9
251.09497	4.1
253.11252	3.0
255.08914	9.9
258.28711	2.0
265.11020	2.2
267.08823	2.1
269.10632	2.4
273.10052	7.2
275.20038	6.1
277.11066	9.5
278.10864	2.2
279.12601	4.8
281.10590	6.5
295.12167	3.5
299.11661	4.9
331.09677	2.9
331.15784	43.7
334.08252	2.5
349.06943	2.9
349.10550	14.8
349.16922	100.0
349.23761	7.9
349.27301	18.4
350.17355	6.1
367.17825	25.1
372.18546	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	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
54.15925	3.8
69.03414	5.8
70.06573	6.4
71.39070	8.2
72.08143	11.9
84.08141	10.5
85.02895	12.6
87.04424	3.9
95.01356	4.3
97.02892	4.7
98.97558	4.3
104.62371	4.2
114.12801	4.4
114.30384	4.5
119.01923	9.6
119.04913	6.1
131.01881	6.0
157.07581	4.2
169.06830	8.9
173.14154	4.6
182.08139	5.2
187.04494	5.2
187.07916	7.1
215.00397	6.7
229.01706	6.1
247.03070	5.3
253.12967	6.4
349.05151	18.5
349.09103	100.0
349.16937	57.0
350.09552	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	349.1068
Annotation	Defucogilvocarcin V
Peak:m/z	Relative Intensity
55.05502	1.2
56.96553	0.3
57.03408	0.5
57.03669	0.3
61.84678	0.3
65.03912	0.8
67.05495	2.3
69.07055	1.2
69.78547	1.3
69.78958	0.6
79.05486	2.6
81.03424	0.3
81.07055	3.8
83.04958	0.7
83.08609	0.5
85.06515	0.4
91.05475	3.2
93.07034	1.4
95.04958	0.7
95.08577	1.4
97.06490	0.4
97.10116	0.3
98.09642	0.3
98.21423	0.6
105.03399	0.3
105.07024	1.8
107.01296	0.5
107.04958	1.6
107.08605	1.7
109.02864	0.5
109.06506	1.8
109.10126	0.9
113.33150	0.3
115.05454	0.8
117.06992	2.7
118.04158	0.4
119.04913	1.2
119.08566	1.3
121.02852	2.9
121.10142	0.8
123.08033	0.9
123.11703	0.3
128.06157	0.4
129.07022	1.2
131.04916	0.5
131.08519	0.9
133.02856	0.4
133.10098	1.1
135.04346	0.4
135.07999	0.6
135.11664	0.4
141.01826	0.4
141.06963	0.7
143.08560	0.3
145.02774	0.6
145.06467	0.6
145.10077	0.8
147.11659	0.5
149.09586	0.6
149.13248	0.4
151.65532	0.3
153.06989	0.7
157.06473	1.3
159.11662	1.0
161.13315	0.3
163.11163	0.3
167.94156	0.2
169.06454	1.1
171.04439	0.5
171.07863	0.3
171.11719	0.4
173.11790	0.3
173.13216	0.6
177.01773	0.3
179.03369	0.6
179.14305	1.6
181.06473	0.5
185.05933	1.7
189.01791	0.7
189.05446	2.1
195.02858	2.4
197.05960	0.6
202.07631	0.3
203.03293	0.3
203.07024	0.9
203.08681	0.4
204.09364	0.6
207.02917	0.9
211.07317	0.4
213.05415	2.0
215.08539	0.8
219.11697	0.4
221.09590	0.6
222.30357	0.2
223.07521	0.3
228.09366	0.5
229.10120	2.1
229.19188	0.3
231.06389	1.5
231.08421	2.1
232.08804	5.1
233.09221	0.4
239.17970	0.4
245.09746	0.4
247.11113	1.6
251.07103	0.5
257.09625	0.7
257.18958	0.9
258.10037	0.3
259.07404	0.5
260.08310	3.2
261.08908	0.7
267.06635	0.5
275.10608	3.3
275.20056	2.0
277.08414	0.6
279.06534	0.4
285.08862	0.6
287.07150	0.3
288.07706	0.3
289.08630	0.3
291.06476	0.5
292.07321	0.7
293.07889	0.4
295.05978	14.7
296.06375	0.7
303.10144	11.1
304.10461	1.1
305.08020	0.7
306.08844	0.6
307.05991	2.7
307.09677	2.0
308.06528	0.4
308.09879	0.3
309.07407	0.3
313.08463	0.4
320.06934	0.5
321.07455	0.8
321.10995	0.5
325.53976	0.3
331.09619	41.9
332.09943	3.5
333.07513	3.7
334.08255	2.3
349.10672	100.0
349.23367	2.2
349.27136	2.1
350.11017	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	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01854	9.8
55.05507	43.0
57.03439	17.1
57.92599	2.9
67.05499	91.3
69.03439	6.0
69.07060	30.2
69.73627	20.6
71.04978	8.3
71.08626	12.8
79.05489	49.4
79.65034	2.6
81.03402	4.5
81.07050	96.6
81.17970	3.0
83.04967	11.3
83.08611	32.6
84.04498	6.5
85.02903	3.1
85.06519	5.4
91.05469	38.7
93.07037	55.7
95.04958	10.6
95.08603	43.3
97.06515	18.4
97.10162	20.3
99.08079	15.3
105.07028	37.7
107.04938	6.1
107.08580	48.2
109.06487	7.9
109.09465	3.3
109.10156	45.1
111.08091	13.5
113.09612	4.5
117.06986	14.8
119.08569	29.0
121.06483	4.1
121.10159	18.6
123.08075	5.6
123.11683	7.7
125.09626	20.0
129.07031	5.9
131.08560	20.3
133.10109	34.7
135.07993	4.4
135.11737	20.6
137.09615	6.4
139.11098	4.0
141.07033	2.7
143.08533	3.8
145.10110	21.3
147.11699	17.6
149.09668	5.7
149.13240	35.9
151.11165	14.0
155.10602	4.6
157.10138	7.2
159.11703	26.5
161.09586	3.9
161.13266	11.9
163.11217	8.0
163.14569	3.3
165.12791	4.6
171.11665	4.7
173.11742	67.5
173.13152	4.2
177.12735	14.2
179.14270	5.6
181.12247	3.8
185.13223	4.3
187.11156	3.3
189.11214	28.4
190.14384	4.3
195.13797	100.0
207.13789	3.6
210.22220	2.8
213.14832	54.6
239.17979	5.2
257.18906	18.8
259.20474	5.4
275.20016	22.4
277.21634	56.6
288.86551	2.9
295.05923	7.3
295.22641	23.5
310.46997	3.3
331.09686	18.0
331.22531	3.5
348.09521	5.6
349.06723	5.2
349.10663	53.0
349.14584	5.3
349.19888	7.1
349.23709	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2189
Annotation	Cortexolone
Peak:m/z	Relative Intensity
53.53714	0.5
56.96546	0.7
57.07064	1.4
67.05486	0.7
69.07040	0.8
69.94028	1.1
69.94458	2.0
71.08616	0.5
71.49255	0.4
81.07040	1.6
84.26915	0.5
85.06506	0.4
88.07605	0.8
93.07069	0.9
95.08579	1.1
97.10228	0.5
98.09673	0.7
98.21492	0.6
111.11684	0.5
119.08592	0.6
123.08040	0.5
133.10101	0.6
135.08058	0.8
136.26147	0.5
137.05913	0.7
149.02304	1.0
193.04948	1.9
210.12352	0.6
224.65617	3.6
233.61487	0.5
251.00220	1.2
261.14612	3.9
269.07352	0.5
285.29816	0.8
347.09103	1.6
347.21912	100.0
347.33078	3.6
347.77625	0.6
348.02863	0.7
348.21991	4.8
348.25604	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	348.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01848	0.3
55.05500	1.2
56.05028	0.6
60.65634	0.2
61.89431	0.3
67.05496	0.5
69.03414	0.6
69.07055	0.5
70.06583	1.4
71.61451	0.6
72.04524	0.3
72.08154	3.2
73.08475	0.5
78.33405	0.3
79.05492	0.7
80.05039	0.3
81.03419	0.4
81.07048	0.4
82.06581	0.4
84.04495	0.3
84.08137	4.0
85.02883	0.4
89.10764	0.8
91.05468	1.1
93.07024	0.6
94.06532	0.3
95.04967	0.3
95.08604	0.4
96.08122	9.2
97.02898	0.4
97.06518	0.8
98.06042	0.5
98.09682	5.8
99.04427	0.3
105.07029	0.7
107.04935	0.7
107.08591	0.3
108.08160	0.3
110.02375	0.3
110.09672	1.3
111.08040	0.5
111.10465	0.3
115.08688	0.4
119.04929	0.6
119.08567	0.6
120.08096	0.6
121.02848	0.3
122.09659	8.5
124.07624	0.3
124.11219	1.1
127.03927	0.4
129.06956	0.3
131.08530	0.7
133.10138	0.5
134.09630	1.3
136.07578	0.4
136.11198	8.1
137.12000	0.4
138.09152	0.5
139.07487	1.4
141.06859	0.3
145.10086	0.3
146.09689	0.3
147.04404	1.7
147.11650	0.3
148.11183	3.7
149.05949	0.3
149.11899	0.5
150.12756	1.7
151.13548	2.2
151.57571	0.3
159.08037	0.5
159.11653	0.4
162.12755	0.5
163.12337	0.4
164.14317	2.0
167.07072	0.3
169.06483	1.0
170.06862	0.9
173.10764	0.4
173.13225	0.6
174.06424	0.4
174.12796	0.7
175.12297	1.5
176.14340	0.7
177.15121	0.8
178.15938	1.2
187.07454	0.6
188.07928	1.2
188.14386	0.9
189.13855	7.0
191.15482	0.8
193.17032	0.7
194.17744	0.7
197.05995	0.5
198.06332	1.2
200.04663	0.7
201.05064	1.5
202.12321	0.3
202.15897	0.4
203.03355	0.8
204.17531	0.4
205.16992	0.3
207.18509	0.5
212.14207	0.3
215.07022	2.6
216.07365	4.3
218.11739	0.6
221.04343	0.4
221.20131	1.3
230.15384	0.3
231.18523	1.7
232.16937	1.2
233.16455	1.6
235.14537	0.4
235.18037	6.6
236.18486	0.3
237.73537	0.4
247.18030	3.8
248.18723	1.8
249.19525	1.6
253.19191	0.8
258.19644	1.3
259.09631	1.4
260.09988	3.7
265.19064	1.0
272.21194	7.1
303.20660	1.7
313.22879	0.7
315.24335	1.3
320.06619	0.3
321.07571	1.2
328.66278	0.3
330.19193	1.8
330.25320	3.2
331.17297	0.7
331.23264	0.8
331.26108	2.1
348.20325	5.8
348.26425	100.0
349.07016	2.9
349.16660	1.0
349.20557	0.7
349.26718	6.5
349.30664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70699	0.5
53.03948	0.7
55.01872	3.1
55.05509	8.7
57.03422	0.7
63.02392	0.6
67.05500	2.0
69.03436	1.4
69.06709	1.1
69.07066	11.6
69.32269	3.0
69.32697	2.8
70.06593	3.0
71.01360	1.5
71.04984	1.2
72.08153	99.0
73.08500	1.3
79.05495	8.8
83.04972	4.9
85.14384	0.6
89.03905	1.2
89.10785	26.1
95.04964	2.1
97.06528	54.2
98.06052	23.9
98.09689	2.2
99.09231	0.6
105.06995	0.7
107.04987	1.1
109.02857	0.8
114.09128	0.7
115.05495	1.1
115.08685	25.2
117.03369	2.2
123.04422	2.0
129.07013	1.0
129.56429	0.5
130.20036	0.5
133.06410	0.5
135.04427	5.0
141.06970	1.3
141.10265	0.9
143.08589	0.8
143.37354	0.5
145.02853	2.0
145.06548	0.7
147.04402	2.4
149.05968	0.9
152.06232	1.4
157.06477	1.2
157.10168	1.6
160.05180	2.8
161.02386	2.4
161.05978	13.6
162.03134	1.2
162.06677	0.6
163.03900	100.0
164.04247	2.5
165.06992	0.7
167.08513	4.7
169.06512	2.3
171.08072	1.0
173.05983	8.7
175.03925	8.3
175.07516	2.7
176.04710	1.6
177.05461	3.7
184.05222	1.1
185.06047	1.3
185.09579	1.8
187.07568	2.5
189.01791	4.4
189.05486	4.5
189.09106	13.3
195.08047	6.3
197.05965	2.1
199.07494	1.4
200.04706	2.2
201.05405	0.6
201.09084	1.1
203.07011	1.6
203.10651	1.5
207.02919	4.6
213.05568	0.7
213.09064	6.3
215.07027	18.6
215.10657	2.4
216.07382	1.2
217.08678	2.9
223.07616	1.0
226.06276	1.6
231.10153	4.4
241.08627	4.3
258.11169	0.6
259.09668	13.8
260.10226	0.9
260.12704	3.3
260.48587	0.6
286.14307	1.0
311.17514	3.4
312.15851	4.7
329.18594	13.0
330.16885	14.5
331.17459	0.8
347.19647	86.7
348.19971	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	347.1698
Annotation	Rehmapicroside
Peak:m/z	Relative Intensity
52.11900	0.7
53.03928	1.1
55.01848	1.3
55.05302	0.7
55.05510	7.0
56.96544	2.1
57.03417	2.2
57.07063	1.6
59.04985	3.4
60.05650	1.1
61.02915	2.6
67.05487	1.9
69.03418	10.4
69.07053	2.7
69.84941	0.7
70.06584	5.5
71.04967	1.6
71.61459	1.3
71.61815	0.7
72.08150	15.7
73.02917	1.3
74.06067	0.8
79.05479	2.7
81.03400	3.0
81.07054	6.0
82.06568	0.9
83.04977	31.3
83.08607	1.0
84.04475	0.9
84.05270	0.8
84.08142	4.3
85.02898	17.7
85.06493	0.7
86.09693	3.3
87.04443	1.0
89.10791	1.5
91.05475	3.7
93.07027	3.9
95.04922	1.7
95.08587	4.5
97.02888	5.9
97.06508	7.1
97.10165	2.2
98.06042	3.2
98.09672	2.1
98.97579	2.0
99.04459	2.0
103.05463	0.8
105.07024	3.4
107.04935	6.1
107.08590	8.9
109.02874	2.4
109.06504	2.5
109.10155	2.4
110.07130	1.3
111.04423	7.3
111.08065	0.9
113.05921	0.9
114.10278	0.9
115.08656	1.5
116.98589	1.3
119.04919	2.8
119.08561	1.6
121.02920	0.8
121.06489	1.7
121.09308	1.1
121.10135	16.7
122.06004	0.8
123.08077	2.0
125.05959	1.1
125.09608	7.6
127.03912	4.5
127.07520	1.0
128.98468	0.7
131.04974	1.0
131.12906	1.1
133.06445	1.6
134.99638	1.5
136.06142	0.8
137.05954	2.4
137.09612	5.8
138.05502	0.8
138.09090	1.0
138.10072	0.8
139.11185	7.4
145.04918	2.9
146.99641	0.9
147.04382	7.3
149.06007	1.3
149.09607	3.8
150.09012	0.9
151.07521	2.9
152.07082	1.1
155.10616	0.8
156.07846	0.8
157.10828	1.7
160.07686	0.9
163.03853	1.4
167.10660	100.0
173.01137	0.8
177.00656	1.0
177.05472	1.0
183.06416	0.7
185.04242	1.0
185.07933	0.8
185.11710	23.0
187.97534	0.8
189.00742	0.9
203.05292	2.0
208.13324	1.4
215.07030	0.8
218.11714	2.5
223.09306	1.2
230.36095	0.8
237.02701	1.7
241.08379	1.0
251.00932	0.7
258.08807	1.6
272.10492	1.7
285.13025	1.2
298.66479	1.4
301.12607	8.3
307.17767	2.6
307.67072	4.5
308.17279	1.8
316.18225	1.1
329.14368	1.1
330.16705	1.3
347.12894	18.4
347.16266	2.1
347.19748	1.7
347.23123	0.9
347.28699	1.6
363.72690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11900	0.7
53.03928	1.1
55.01848	1.3
55.05302	0.7
55.05510	7.0
56.96544	2.1
57.03417	2.2
57.07063	1.6
59.04985	3.4
60.05650	1.1
61.02915	2.6
67.05487	1.9
69.03418	10.4
69.07053	2.7
69.84941	0.7
70.06584	5.5
71.04967	1.6
71.61459	1.3
71.61815	0.7
72.08150	15.7
73.02917	1.3
74.06067	0.8
79.05479	2.7
81.03400	3.0
81.07054	6.0
82.06568	0.9
83.04977	31.3
83.08607	1.0
84.04475	0.9
84.05270	0.8
84.08142	4.3
85.02898	17.7
85.06493	0.7
86.09693	3.3
87.04443	1.0
89.10791	1.5
91.05475	3.7
93.07027	3.9
95.04922	1.7
95.08587	4.5
97.02888	5.9
97.06508	7.1
97.10165	2.2
98.06042	3.2
98.09672	2.1
98.97579	2.0
99.04459	2.0
103.05463	0.8
105.07024	3.4
107.04935	6.1
107.08590	8.9
109.02874	2.4
109.06504	2.5
109.10155	2.4
110.07130	1.3
111.04423	7.3
111.08065	0.9
113.05921	0.9
114.10278	0.9
115.08656	1.5
116.98589	1.3
119.04919	2.8
119.08561	1.6
121.02920	0.8
121.06489	1.7
121.09308	1.1
121.10135	16.7
122.06004	0.8
123.08077	2.0
125.05959	1.1
125.09608	7.6
127.03912	4.5
127.07520	1.0
128.98468	0.7
131.04974	1.0
131.12906	1.1
133.06445	1.6
134.99638	1.5
136.06142	0.8
137.05954	2.4
137.09612	5.8
138.05502	0.8
138.09090	1.0
138.10072	0.8
139.11185	7.4
145.04918	2.9
146.99641	0.9
147.04382	7.3
149.06007	1.3
149.09607	3.8
150.09012	0.9
151.07521	2.9
152.07082	1.1
155.10616	0.8
156.07846	0.8
157.10828	1.7
160.07686	0.9
163.03853	1.4
167.10660	100.0
173.01137	0.8
177.00656	1.0
177.05472	1.0
183.06416	0.7
185.04242	1.0
185.07933	0.8
185.11710	23.0
187.97534	0.8
189.00742	0.9
203.05292	2.0
208.13324	1.4
215.07030	0.8
218.11714	2.5
223.09306	1.2
230.36095	0.8
237.02701	1.7
241.08379	1.0
251.00932	0.7
258.08807	1.6
272.10492	1.7
285.13025	1.2
298.66479	1.4
301.12607	8.3
307.17767	2.6
307.67072	4.5
308.17279	1.8
316.18225	1.1
329.14368	1.1
330.16705	1.3
347.12894	18.4
347.16266	2.1
347.19748	1.7
347.23123	0.9
347.28699	1.6
363.72690	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	30.4
55.83619	3.4
57.07057	3.5
67.05502	62.4
69.07066	30.6
71.17435	5.1
71.17738	5.2
76.16841	4.5
79.05495	40.7
81.07054	85.1
83.04967	6.8
83.08620	23.4
91.05470	27.3
93.07036	43.8
95.04964	7.0
95.08604	25.5
97.06542	11.1
97.10168	17.0
98.09702	22.4
99.08067	4.7
105.07030	27.9
107.04952	5.0
107.08577	41.2
109.06516	9.4
109.10154	27.2
110.09660	7.2
111.08078	5.8
116.67255	4.1
117.06958	7.2
117.43002	4.4
119.08580	18.0
121.10152	15.9
123.08081	6.9
123.11640	4.4
125.09632	9.5
131.08566	14.0
133.10162	26.6
135.07993	5.0
135.11691	18.0
141.38864	3.5
145.10130	9.6
147.11710	6.6
149.09622	12.6
149.13289	24.9
155.10625	4.7
159.11652	23.8
163.11192	7.1
165.12343	3.6
173.11713	24.7
173.13213	8.0
177.12793	8.9
189.11218	16.4
195.13806	73.0
208.72499	4.3
213.14812	58.4
257.18936	10.6
275.20047	100.0
276.20398	8.8
293.21118	15.2
346.28458	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	346.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02300	0.3
60.24592	0.3
63.59355	0.3
68.05009	0.4
70.06590	3.7
70.87432	0.7
70.87807	0.7
72.08150	2.7
84.08141	3.0
85.02882	0.4
86.09699	0.9
91.05470	1.3
92.05812	0.4
94.02477	0.3
96.08133	1.2
98.09687	100.0
99.10020	1.4
118.06539	1.2
119.06864	1.1
120.08092	1.0
121.08399	0.5
123.04400	0.4
136.07582	0.9
137.07907	0.6
138.05487	0.4
147.04422	0.8
150.09111	0.3
150.12860	0.3
164.07086	0.4
165.07581	0.5
166.08563	0.3
168.11508	0.3
174.12740	0.4
182.08113	1.7
183.08466	1.0
184.06056	0.5
184.60265	0.3
202.15874	0.4
208.79094	0.3
231.18619	0.5
233.20137	0.9
238.09988	0.3
245.20183	1.4
247.21765	0.7
249.19583	4.4
263.21289	1.6
328.27426	1.1
346.28506	55.9
347.12936	0.5
347.28860	1.7
366.04858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48950	0.5
55.01860	0.7
55.05492	1.8
56.05015	0.5
56.96556	0.6
58.99567	1.5
60.04521	1.2
62.77349	0.5
67.05496	2.5
69.03411	1.3
69.07058	1.0
70.06570	1.5
71.04988	2.6
71.61930	0.7
72.08142	7.3
76.02216	3.0
79.05492	1.8
81.03408	0.9
81.07051	1.6
83.04961	0.7
83.08619	0.6
84.08129	1.2
84.17596	0.5
85.02885	1.3
85.06532	16.7
86.06053	0.6
86.09692	2.8
86.99029	0.8
91.05473	3.2
93.07030	6.2
95.04943	1.2
95.08604	4.6
97.02867	0.9
97.06506	0.7
98.09657	1.6
98.97556	0.7
99.04451	1.9
105.00065	2.0
105.07005	3.1
106.76051	0.5
107.04942	2.9
107.08574	9.0
109.02864	1.1
109.06477	0.7
109.10139	6.8
113.05991	100.0
114.06337	1.5
119.04896	0.9
119.08566	3.5
121.06449	0.6
121.10126	7.0
122.02712	24.1
123.08057	1.4
124.07578	1.0
127.03905	1.2
131.08556	2.8
132.03371	0.5
133.10126	6.6
135.10658	1.2
135.11678	15.5
137.05986	0.7
137.09607	4.3
142.08649	0.7
145.10112	2.0
147.04431	3.0
147.11684	1.3
149.05963	0.7
149.09586	5.7
151.11176	1.8
163.11218	0.7
169.06342	0.8
171.11694	0.7
179.14323	0.7
184.09679	0.7
184.13235	0.6
187.10741	1.2
189.12724	2.9
197.05977	0.9
200.04654	0.7
202.10786	1.1
207.13774	28.8
208.14104	1.0
215.07057	2.3
215.10191	1.3
218.11678	0.7
247.12877	0.7
249.46210	0.6
259.09619	1.5
314.84341	0.5
328.16135	0.8
328.24655	0.5
343.44016	0.5
346.12903	0.9
346.16873	4.6
346.25317	1.2
347.19556	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	345.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89719	1.4
52.78218	1.4
53.03939	1.8
54.14970	1.6
55.05303	1.5
55.05510	18.4
57.07056	6.8
59.04971	1.8
65.03925	2.1
67.05502	37.7
69.06718	2.3
69.07063	36.2
71.04979	3.7
71.08627	2.3
79.05486	21.2
81.07053	100.0
83.08606	16.2
84.08127	3.0
85.06535	21.2
91.05476	8.4
93.07037	39.7
95.04932	2.9
95.08600	86.1
97.02888	2.2
97.06518	4.7
97.10160	12.5
99.08083	15.1
105.07043	10.7
107.08584	35.4
109.02821	1.7
109.10149	57.5
111.08064	5.7
111.11710	6.1
112.07588	1.7
113.09637	4.1
119.08593	7.6
121.10130	26.2
123.08053	1.9
123.11703	31.3
125.09634	3.7
125.13282	2.6
133.10129	5.5
133.64851	1.5
135.11664	23.0
137.05943	5.4
137.13245	10.7
139.03918	2.2
139.11160	3.1
147.11682	4.3
149.13254	29.9
151.14803	4.2
153.12759	4.5
161.13252	4.5
163.14827	16.2
165.16359	3.0
167.14285	2.6
171.13818	3.9
175.14795	2.9
177.16405	7.6
179.17941	1.7
181.15771	2.4
185.15390	2.3
189.16428	2.3
191.17923	5.4
203.17879	2.6
217.19421	3.2
221.18854	1.8
229.43808	2.6
247.24265	2.3
261.25916	3.4
265.24960	2.0
273.25702	9.7
279.26865	5.5
285.33313	1.8
291.26785	23.4
295.09570	1.8
297.27887	3.1
309.27863	30.7
312.06406	1.8
313.10635	2.5
314.11255	1.8
327.08569	6.8
327.28891	14.3
345.09555	3.7
345.13382	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	345.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.05505	12.4
56.84621	1.5
57.03420	1.8
57.07069	7.0
67.05495	28.2
68.99796	1.5
69.03413	4.2
69.06712	2.7
69.07066	32.5
70.06581	4.6
70.41563	1.4
70.93940	2.9
70.94278	2.8
71.04987	2.9
72.08128	2.1
79.05489	15.2
81.03412	3.0
81.07051	100.0
83.04963	2.1
83.08611	12.5
84.08157	7.3
85.02910	3.4
85.06535	21.8
91.05467	10.1
93.07041	26.6
95.04968	4.3
95.08600	76.5
96.08949	1.9
96.31856	1.8
97.02880	10.5
97.06536	3.4
97.10171	8.0
98.09700	2.2
98.97573	1.9
99.08084	20.1
103.05445	2.6
105.07032	11.1
107.04967	2.3
107.08588	33.4
109.02869	3.4
109.06512	2.0
109.10152	51.8
111.04461	2.7
111.08073	4.7
111.11716	5.5
112.07617	12.5
113.09655	7.8
117.33989	1.5
119.04917	3.7
119.08556	8.9
119.84003	1.6
121.06518	1.8
121.10133	23.3
123.04425	6.8
123.11697	32.5
124.11918	1.4
125.09600	3.9
125.13245	3.6
126.91331	1.5
127.03950	3.0
127.11197	2.9
131.04930	2.8
131.08607	2.0
133.10123	6.5
135.11693	17.2
137.05983	10.7
137.13242	12.2
139.03899	2.2
139.11148	3.5
141.12744	1.6
143.08597	2.0
145.10091	2.3
147.04382	11.3
147.11685	7.2
149.13240	33.8
151.14830	4.7
153.07010	2.1
153.12737	4.0
159.04422	3.3
161.13258	6.2
163.11163	1.5
163.14816	25.7
163.16061	2.2
165.06938	1.8
165.16397	3.3
167.07016	3.1
167.14331	3.6
175.14825	3.6
177.05385	1.7
177.16351	11.9
181.15863	3.4
184.88506	1.9
189.16396	3.7
191.07048	4.5
191.17938	5.9
195.17415	3.1
197.19031	3.7
200.09106	2.7
203.17976	4.1
204.06679	1.9
205.19493	2.7
211.07538	1.9
217.17082	3.1
217.19525	7.9
227.07076	2.0
235.18074	11.1
235.20544	4.2
243.06671	3.5
247.24249	2.9
253.08905	1.6
255.06419	3.1
261.25681	2.1
265.25305	2.4
273.25726	12.6
279.26871	3.1
291.26825	33.0
295.09583	2.7
297.10858	1.7
299.09109	1.9
302.17352	5.8
309.27890	13.2
312.06235	5.4
313.10547	8.6
314.11288	1.8
327.05502	2.2
327.08768	22.9
327.12402	3.9
327.28860	2.6
328.08765	2.1
345.09918	10.5
345.13458	10.3
345.17761	4.4
345.23947	2.3
345.27472	2.3
346.20508	2.7
346.24725	21.7
346.28510	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	345.1694
Annotation	Oleiferin F
Peak:m/z	Relative Intensity
53.59697	0.9
55.01865	1.4
55.05495	1.9
63.29315	0.9
64.65967	1.0
65.03944	1.0
67.05498	6.2
68.99804	1.2
69.03416	1.5
69.07053	3.0
69.81882	5.2
71.04964	1.0
79.05498	5.4
80.05845	1.2
81.03381	1.5
81.07047	5.0
83.08589	1.6
85.02905	0.9
91.05476	6.4
93.07047	5.1
94.07367	1.6
95.04962	5.5
95.08592	3.5
97.02859	2.9
97.06506	1.9
97.10160	1.2
98.10477	1.2
98.20789	1.5
99.04403	1.1
103.05437	2.1
105.03419	1.5
105.07024	12.3
107.04945	1.8
107.08562	3.4
109.06539	1.6
109.10169	2.1
115.05450	3.0
117.07008	3.8
119.04942	1.8
119.08582	3.1
121.06529	2.2
121.10157	2.5
123.04422	100.0
123.07990	1.6
124.04726	2.3
125.09655	1.5
131.04883	2.5
131.08528	2.2
133.06467	3.9
133.10138	1.8
135.04427	1.4
135.08076	2.2
135.11667	0.9
136.05115	1.0
137.05949	3.8
145.06477	5.9
147.04402	1.2
147.08049	4.2
147.11732	1.5
149.05978	7.6
151.07523	6.4
161.05969	4.1
161.13411	1.1
163.07539	79.8
164.07889	2.6
165.09030	1.2
169.06412	1.2
175.07561	13.0
177.05515	1.1
177.09076	1.0
191.06982	2.2
191.10667	13.5
195.07939	1.2
205.12201	2.3
209.11696	1.2
210.12036	1.2
213.09131	1.6
224.13597	1.1
227.06969	1.6
239.06926	1.0
249.14925	1.0
253.08463	1.0
255.06570	1.9
256.07040	1.1
267.10184	3.8
285.11206	96.4
286.11609	5.1
295.05853	1.4
311.05493	1.4
312.06299	4.5
313.10577	5.8
327.08746	14.5
327.12634	1.9
327.15860	35.7
327.23468	1.3
328.09116	1.2
345.09641	7.8
345.13361	3.0
345.16620	2.8
345.24286	1.7
361.57825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74852	1.3
52.31371	1.2
55.01861	3.3
55.05486	2.0
56.05018	2.1
56.96549	5.3
57.03413	4.1
58.06576	1.3
59.04984	1.3
59.66365	1.7
59.82551	1.2
61.02913	3.1
65.66256	1.3
68.05015	2.9
69.03411	11.0
70.06586	11.8
71.01217	4.5
71.04965	3.0
72.08154	13.3
73.02901	3.1
79.05469	1.8
81.03391	4.5
83.01318	1.4
83.04982	1.8
84.04477	2.8
84.08125	7.8
85.02894	15.3
86.06038	4.4
87.04404	1.6
91.05462	2.5
96.08137	1.6
97.02882	9.6
98.06030	2.1
98.09634	1.6
98.97586	8.6
99.04436	2.9
99.10437	1.5
108.08150	1.4
109.02834	2.7
110.07164	11.8
113.03465	2.5
116.07069	3.6
116.98640	7.0
119.04913	4.2
122.07103	2.2
123.05550	1.9
127.03906	5.1
134.99629	2.6
136.07567	3.8
137.05965	2.0
137.07930	2.3
138.05537	1.9
143.00188	2.5
146.99611	2.2
147.03357	1.5
147.04420	8.8
148.03903	12.6
150.05524	2.5
152.07132	1.8
153.06934	4.2
158.71199	1.8
158.99611	2.6
161.01222	3.0
165.06926	10.0
166.04987	37.1
167.08545	41.3
171.08046	6.5
177.00635	4.3
177.04274	2.1
177.06953	13.4
178.07767	14.9
179.02287	2.3
179.08510	7.6
181.06548	4.5
181.10078	3.0
183.08237	5.3
184.06032	39.4
189.07018	2.2
190.07736	2.6
191.03886	1.6
191.06889	3.3
191.08527	35.0
193.10150	15.7
194.07263	5.2
194.09631	2.6
195.08047	36.6
196.08548	1.8
197.09558	5.1
199.07549	4.8
201.00790	3.3
202.07735	5.4
203.02162	2.9
203.08597	9.5
207.08017	5.1
208.08783	9.5
208.10934	2.6
209.09595	12.7
212.10692	14.0
213.08983	1.7
217.08882	1.6
218.07431	1.9
218.09567	4.3
219.01782	2.8
219.08029	51.5
220.08630	4.0
221.09644	23.9
222.09196	3.5
223.07530	21.5
225.09076	9.1
225.11147	1.6
227.06863	10.2
236.08287	3.4
236.10683	53.6
237.02757	3.7
237.09019	8.6
237.11081	2.3
238.12259	43.9
240.10162	54.6
241.08528	6.0
241.10617	2.1
245.11304	3.2
247.07533	9.3
251.06940	6.8
253.13344	37.3
254.09265	2.8
254.11732	37.6
254.13730	1.8
264.10199	6.2
265.08575	33.0
266.08984	2.2
267.10065	5.0
269.08160	15.7
282.11218	84.8
283.11627	3.0
284.12656	4.5
286.10599	9.5
299.13879	66.3
300.12207	33.5
311.09079	11.2
328.11795	100.0
329.12155	3.4
345.14383	56.7
345.21033	2.9
346.12415	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	345.144
Annotation	Tyr-tyr
Peak:m/z	Relative Intensity
55.01864	1.0
55.05505	1.0
56.96552	2.0
57.03414	0.8
61.02913	1.2
65.03921	1.2
67.05511	1.0
69.03424	1.5
69.07024	1.0
69.59408	3.4
69.59836	3.2
70.06592	5.0
71.04957	1.1
72.08143	13.4
73.02925	1.0
80.35097	0.9
81.03392	1.4
81.07020	1.0
84.04503	0.9
84.08148	4.2
85.02916	5.8
86.06059	1.8
86.09702	3.1
89.03975	0.8
91.05469	57.2
92.05792	1.9
93.07038	3.3
94.06552	1.2
95.04951	4.7
96.08112	1.9
97.02895	3.5
98.06033	1.4
98.09682	9.6
98.97555	1.2
100.07584	1.5
103.05460	21.6
104.05795	1.0
105.07005	1.5
107.04942	1.4
109.02889	1.5
109.06487	0.8
110.06047	0.8
110.07120	2.0
110.09642	1.2
112.07593	1.1
112.41260	0.8
116.07083	0.9
116.98627	1.1
117.05731	0.8
118.06533	100.0
119.04934	16.4
119.06816	1.5
120.08092	56.8
121.02816	1.3
121.06499	1.8
121.08455	1.9
122.07150	1.7
122.09665	3.4
123.04419	22.7
124.07545	1.0
127.03911	2.0
134.99583	1.1
135.04424	0.9
136.07564	57.4
137.05962	4.7
137.07944	1.3
138.05515	2.3
139.12326	4.1
140.07083	1.8
142.07550	0.8
142.08594	1.0
147.04395	12.7
148.04819	0.9
153.38139	0.9
154.08629	1.2
156.06587	2.0
164.05656	1.4
164.07054	37.2
165.05463	46.9
178.08672	1.2
182.08109	90.2
183.08464	2.7
183.11353	3.3
184.06067	3.9
194.17368	0.8
198.82608	0.8
201.00453	0.9
213.30550	0.8
218.11819	0.8
259.89307	0.7
267.16757	1.0
270.11206	1.1
310.09158	1.1
328.10126	1.0
345.11389	5.9
345.15140	2.7
345.20743	0.8
345.23032	1.1
345.27246	13.8
346.28577	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	3',4',5'-O-Trimethyltricetin
Peak:m/z	Relative Intensity
51.89849	0.2
55.01854	0.2
56.96560	0.3
66.04722	0.2
67.05476	0.2
67.74291	0.2
69.03419	1.3
69.07036	0.3
71.04962	0.2
72.08125	0.3
77.03960	0.2
79.05482	0.6
81.03406	0.4
81.07053	0.5
83.04967	0.2
83.98045	0.2
85.02878	0.2
85.06517	0.2
89.03893	0.2
91.05462	0.7
92.99756	0.3
93.03391	0.2
93.07037	0.4
94.04153	0.5
95.04951	0.5
97.02875	0.6
97.06531	0.2
98.97586	0.3
100.18047	0.2
103.05470	0.7
105.07021	0.6
107.04935	0.3
107.08574	0.3
108.02076	0.3
109.02863	0.4
109.06514	0.2
109.10138	0.4
115.05415	0.2
117.03361	0.2
119.04948	0.3
119.08550	0.3
121.02854	0.4
121.06503	0.3
122.03656	1.0
123.04422	0.4
127.03883	0.2
131.04898	1.3
131.08676	0.2
133.02829	0.3
133.06471	1.5
134.03609	1.2
135.04402	0.2
135.08035	0.7
137.02341	3.0
137.05968	9.2
142.09897	0.2
145.06453	0.5
147.04372	0.9
149.05945	0.6
150.03169	1.3
151.03909	0.4
151.07527	0.5
155.08537	0.4
157.02777	0.2
161.02316	0.5
163.03818	0.3
163.07513	2.6
165.01797	2.1
165.05457	0.5
165.06932	0.5
167.07092	0.4
168.04189	0.4
168.05602	0.3
169.06459	0.4
171.04475	0.3
175.03868	0.6
175.07523	0.3
177.01880	0.9
177.05446	0.5
178.02611	1.1
179.03389	4.3
183.08069	0.5
189.08989	0.2
191.03461	0.2
191.06978	0.2
192.03337	0.3
193.06464	0.3
195.02863	1.2
196.03661	3.7
210.06590	0.3
211.07521	0.9
213.05556	0.2
221.06017	0.3
225.05551	0.2
227.07036	1.7
228.07722	0.9
237.05487	0.6
239.07030	2.8
241.04858	0.5
242.05743	0.2
243.06471	0.2
244.03482	0.2
249.05339	0.2
255.06491	8.4
256.07278	2.9
259.05896	0.3
267.06491	4.7
268.07104	0.2
269.04437	0.2
271.09683	0.9
283.05988	1.4
284.06729	0.9
293.04401	0.8
294.05200	0.9
295.05994	8.4
295.09283	0.4
299.09137	0.6
309.07529	0.6
311.05469	14.5
312.06241	28.4
313.06586	1.1
313.10352	0.5
327.08591	100.0
328.08942	4.0
345.09650	53.6
346.10007	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	345.0966
Annotation	3',4',5'-O-Trimethyltricetin
Peak:m/z	Relative Intensity
55.00258	0.1
55.01870	0.3
55.05501	0.5
59.82507	0.1
65.03935	0.2
66.04745	0.2
67.05486	0.7
68.75030	0.1
68.99789	0.3
69.03422	1.4
69.07060	0.5
69.36771	1.2
69.37180	0.2
72.08141	0.3
79.05482	0.4
81.03407	0.3
81.07042	1.2
83.08605	0.2
84.22009	0.1
85.06533	0.3
89.03923	0.4
91.05482	0.7
92.99768	0.3
93.07029	0.3
94.04178	0.3
95.04965	0.3
95.08594	1.2
97.02905	0.6
97.06509	0.3
97.10162	0.1
103.05460	0.3
105.03369	0.4
105.07022	0.4
107.04957	0.4
107.08584	0.6
108.02103	0.2
109.02880	0.5
109.06497	0.2
109.10142	0.6
111.04464	0.2
111.08031	0.2
113.09631	0.2
117.03390	0.5
117.07014	0.2
119.04921	0.4
119.08589	0.2
121.02860	0.5
121.06491	0.3
121.10146	0.3
122.03661	0.4
123.04407	0.6
123.08060	0.4
123.11693	0.3
127.33112	0.1
131.04913	0.5
133.02824	0.2
133.10109	0.3
134.03619	0.8
135.04446	0.2
135.11722	0.2
137.02325	3.5
137.05977	0.4
143.04941	0.3
147.04402	0.7
147.11636	0.2
149.02400	0.2
149.05989	0.2
149.09534	0.3
149.13310	0.2
150.03093	1.4
151.03886	0.3
153.06963	0.2
155.08549	0.4
161.02390	0.3
161.06078	0.1
163.03911	0.2
163.07510	0.4
165.01808	2.0
165.05533	0.4
165.07008	0.4
167.03412	0.2
167.07048	0.3
167.08463	0.2
167.58977	0.2
168.04259	0.3
168.05721	0.2
169.06407	0.3
171.04378	0.3
172.03757	0.2
175.03900	0.8
175.85727	0.2
177.01871	0.9
178.02560	1.7
179.03378	4.3
181.06384	0.2
183.08055	0.7
185.05983	0.2
191.07008	0.6
191.98030	0.1
193.04919	0.2
195.02855	1.3
196.03656	3.5
199.03905	0.4
202.02733	0.1
203.07077	0.2
204.06551	0.4
204.26805	0.2
209.05827	0.2
210.06747	0.4
211.07553	0.8
213.05510	0.4
221.06013	0.4
225.05338	0.3
225.09100	0.3
227.06949	2.2
228.07735	0.9
237.05432	0.4
238.06296	0.5
239.07019	2.6
241.04962	0.4
243.10126	0.3
244.03532	0.2
253.04843	0.2
253.08591	0.3
255.06497	8.4
256.07257	3.3
257.04288	0.1
257.07800	0.2
259.05978	0.6
265.05115	0.3
266.05688	0.2
267.06488	4.9
267.09570	0.2
268.06970	0.3
269.04340	0.5
270.04916	0.2
271.09683	1.2
277.04858	0.3
283.06012	1.6
284.06830	1.2
285.11212	0.4
291.19476	0.5
293.04388	0.7
294.05139	0.9
295.06000	9.8
296.06207	0.4
299.09174	0.9
303.04858	0.2
309.07568	0.4
309.27530	0.2
311.05469	14.2
312.06232	30.0
313.06613	1.2
313.10663	1.8
314.11185	0.3
327.08585	100.0
328.08936	5.2
345.09647	47.1
346.10034	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	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
54.21681	1.1
55.01858	4.7
55.05505	14.7
57.03431	7.3
60.20362	1.3
65.03934	1.7
67.05499	23.4
68.99780	2.1
69.03424	5.4
69.07059	9.2
70.63453	3.3
71.04997	7.0
72.08144	1.7
79.05488	23.5
81.03415	11.5
81.07052	22.0
81.29964	1.3
82.06567	1.3
83.04958	4.9
83.08608	8.9
85.02882	1.7
85.06541	3.0
88.07626	2.5
91.05474	20.0
93.07039	29.8
95.04969	15.5
95.08602	16.5
97.02891	3.2
97.06535	8.0
97.10146	13.7
99.04472	1.2
103.05460	2.2
105.07022	22.1
107.04965	7.3
107.08595	14.5
109.02855	1.7
109.06529	8.9
109.10162	5.9
111.04439	1.4
111.08104	1.8
112.07517	1.6
113.06007	5.5
115.05465	4.2
117.07008	7.2
119.04944	2.0
119.08586	7.6
121.06471	5.8
121.10143	11.5
123.04420	97.2
123.08048	8.5
125.05955	1.8
125.09602	12.1
126.06756	1.3
129.06984	2.7
131.04915	10.1
131.08543	7.2
133.06482	7.8
133.10101	3.8
135.04373	3.0
135.08040	7.0
135.11664	4.0
136.05200	8.6
137.05954	3.8
137.09607	2.4
143.08548	1.7
145.06480	9.3
145.10077	2.9
147.04376	2.9
147.08025	9.1
147.11693	2.1
149.05966	8.7
149.09567	2.0
149.13216	1.6
150.06783	2.0
151.07536	14.6
159.11647	1.7
161.05977	27.9
161.07249	2.1
161.09587	2.7
161.13161	2.1
162.06516	2.6
163.07533	76.9
163.11165	2.1
165.07063	1.4
169.10173	1.7
171.11705	1.4
173.09598	1.3
173.13199	1.9
175.07539	16.0
177.09106	5.2
177.12714	2.0
187.07549	1.4
187.11139	2.3
189.09126	1.5
189.11220	11.9
191.07109	1.9
191.10643	11.7
195.13689	1.4
196.10890	2.7
203.10719	1.2
205.12253	2.8
208.20738	1.4
209.11702	18.4
212.16486	2.7
213.09190	2.4
220.10991	2.7
221.11653	8.3
221.15359	4.4
223.13300	7.4
225.09134	1.8
228.11249	1.4
241.14281	1.4
263.20193	1.5
267.10257	2.6
273.18622	6.2
274.11987	2.2
285.11206	100.0
286.11859	1.3
291.19568	10.6
308.22293	2.5
309.20551	5.2
311.05688	1.4
312.06281	3.9
313.10733	5.9
320.40872	1.3
326.23312	2.5
327.08740	8.8
327.11841	2.3
327.12479	1.4
327.15866	29.9
327.19821	1.8
344.08224	1.9
344.12244	2.4
344.16180	16.0
344.24313	4.9
345.09494	6.4
345.13303	3.2
348.74472	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
53.03940	1.8
55.01848	3.0
55.05503	8.1
57.03437	6.6
59.63412	1.3
65.03947	1.3
67.05505	18.2
69.03414	4.0
69.07067	27.6
69.76481	8.3
70.07346	1.3
71.04987	7.7
72.08115	1.5
73.02930	1.8
78.77771	1.1
79.05495	18.8
81.03415	13.2
81.07050	21.0
83.04970	4.2
83.08619	3.1
85.06535	1.5
91.05484	13.2
93.07047	19.2
95.04970	20.1
95.08608	15.3
97.06527	100.0
97.10165	1.8
98.06866	1.5
98.20761	1.5
99.04478	1.2
99.08097	3.5
105.07026	11.4
107.04944	9.7
107.08594	11.2
108.05293	3.5
109.06512	4.8
109.10133	4.9
111.08078	3.7
113.05997	1.3
115.07552	23.7
115.08344	1.3
116.07934	1.4
117.07005	5.0
119.08565	7.7
121.06516	4.6
121.10119	6.1
123.04418	6.8
123.08085	2.5
123.11723	1.6
124.04765	2.4
125.09583	1.5
129.07021	3.1
131.04913	2.2
131.08568	10.3
133.10129	6.8
135.04442	3.5
135.08069	4.6
135.11687	4.1
136.04752	2.3
137.09717	1.3
143.08560	3.2
145.10104	5.2
147.04509	1.3
147.07999	2.0
147.11681	1.5
149.05956	2.7
149.09615	2.6
149.13275	5.0
150.06363	1.9
151.11198	2.3
153.05469	4.8
153.73975	1.2
154.05698	3.0
157.10039	2.9
159.11687	5.0
161.09654	2.8
167.07150	1.4
169.10182	1.6
171.11705	2.0
173.13309	2.8
177.12764	7.7
185.13321	1.6
191.10696	3.0
191.14389	1.3
192.10938	2.9
195.13837	6.7
199.11234	1.5
205.12106	1.4
209.13322	1.3
213.12778	1.2
217.15904	1.9
219.13882	1.4
223.13304	3.9
233.97789	1.2
237.14870	1.6
245.19040	3.4
263.19989	2.0
273.18472	3.1
291.19589	6.4
299.08902	1.9
312.06161	2.9
313.10764	4.0
327.08670	7.0
327.12033	1.4
344.11926	2.3
344.26715	1.4
345.10007	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	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01859	4.9
55.05501	15.8
57.03425	20.2
67.05167	4.4
67.05497	51.1
69.03428	3.8
69.07060	84.6
70.69981	7.4
71.04987	39.3
71.74187	2.0
73.02898	2.9
79.05486	48.1
81.03409	34.0
81.07048	54.4
82.07355	2.4
83.04968	6.8
83.08600	9.8
85.06519	6.1
87.04417	2.4
91.05466	40.1
93.07030	45.8
95.04958	44.6
95.08605	34.4
97.05898	4.8
97.06519	100.0
97.10148	4.0
99.08073	11.3
103.05444	3.6
105.07015	28.3
107.04937	9.6
107.08587	26.4
109.06506	17.7
109.10137	9.7
111.08092	3.9
113.05991	9.7
115.07555	47.5
117.07001	16.4
119.04938	2.3
119.08556	18.7
121.06492	10.3
121.10133	15.5
123.04398	14.2
123.08057	8.7
124.04750	7.8
125.09599	4.5
128.06201	2.6
129.06975	8.1
131.08543	20.5
133.06569	2.8
133.10097	15.6
135.07986	11.6
135.11694	15.1
137.06000	4.3
137.09589	3.5
141.06938	5.0
142.07800	2.4
143.08530	6.9
145.06418	3.6
145.10094	14.8
147.08038	6.9
147.11681	9.6
149.09576	5.3
149.13249	9.4
151.07487	2.5
153.09053	3.2
156.09372	2.8
157.10101	10.7
159.11646	18.0
161.09647	6.2
161.13237	3.8
163.11189	5.2
165.05499	2.2
165.09116	2.8
171.11655	7.4
173.13213	7.6
175.11163	2.9
177.12741	11.0
181.54741	2.2
183.11606	4.8
185.13347	2.6
187.11151	4.9
191.44064	2.7
195.13770	14.5
199.14862	3.0
201.12784	3.7
205.12213	2.6
212.16394	2.3
217.15906	3.9
219.13789	3.1
223.13326	14.9
233.15326	3.6
245.18924	3.4
262.19885	2.4
263.20053	5.6
267.06543	2.6
273.18472	14.7
288.09454	4.3
291.19519	13.9
327.08560	4.2
344.15460	7.4
344.27032	7.5
345.13260	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	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01863	1.6
55.05494	2.0
56.04997	1.2
56.96535	2.2
57.03413	2.3
60.04509	2.2
61.02906	3.1
62.20672	0.7
68.05013	0.9
69.03425	10.6
70.06588	7.9
71.04977	2.3
71.62357	1.5
72.08150	18.2
73.02901	2.2
73.08474	1.9
74.06057	1.2
81.03407	3.8
84.04488	1.5
84.08140	8.9
85.02898	23.2
86.09692	2.4
87.04464	2.0
88.07603	1.1
89.10774	1.6
91.03915	0.9
91.05470	10.9
93.07005	1.0
95.04939	1.4
95.08569	0.8
96.04476	2.0
96.08133	4.2
97.02890	8.9
97.06510	0.8
98.06042	1.5
98.09685	22.7
98.97535	1.5
99.04442	1.3
100.07602	1.3
103.05447	1.0
107.04934	3.1
108.08102	1.7
108.59406	0.9
109.02850	2.7
110.06075	1.0
110.07140	2.8
110.09675	5.7
112.07557	1.2
114.05453	0.9
114.09173	0.8
114.10239	1.3
115.03850	0.7
115.08676	1.3
116.07077	1.1
116.46121	0.7
116.98609	1.4
118.06439	1.0
119.04932	33.9
120.08112	1.4
121.06497	1.2
122.05979	0.9
123.04384	2.6
124.07552	2.9
126.09102	0.8
127.03864	4.4
128.07069	1.0
129.10228	1.6
130.08652	0.9
133.05096	0.9
134.09634	2.5
134.99664	1.2
135.04431	0.8
136.07567	69.7
136.11098	1.3
137.06010	0.9
138.05455	2.2
138.09094	1.5
140.07043	1.1
143.03163	1.4
145.04973	4.0
146.09665	0.9
146.31090	0.7
146.99547	0.8
147.04393	16.5
148.04692	3.1
148.11237	2.2
150.07758	5.7
150.08858	1.0
150.91771	0.6
152.07083	1.2
154.08530	0.8
155.04657	1.0
163.03909	1.1
164.07063	6.5
164.10701	1.6
165.05469	8.5
171.11508	0.7
177.05417	1.1
178.08580	1.5
180.06490	1.1
182.04987	5.9
182.08112	100.0
183.08330	1.3
188.07065	0.8
202.06908	0.9
203.15414	0.9
204.13876	1.2
218.06157	1.7
218.11694	3.1
219.12115	1.4
224.09111	4.1
229.16904	0.8
231.18559	3.3
235.14365	1.8
241.07361	0.9
243.18683	1.2
245.20044	2.9
247.18231	1.3
249.19608	0.8
258.46646	0.9
260.08939	1.0
261.15625	0.8
261.19592	10.3
282.11182	1.1
308.11252	1.5
311.39584	0.8
326.12317	2.0
326.25903	1.7
328.11926	0.9
344.09338	2.0
344.13312	12.5
344.23032	8.2
344.26932	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1022
Annotation	Hyrtiosulawesine
Peak:m/z	Relative Intensity
53.95600	0.2
55.89607	0.2
57.03404	0.3
61.02910	0.5
69.03417	1.3
69.26849	0.2
69.58717	1.1
69.59135	0.5
70.06586	0.6
72.08138	0.8
73.02920	0.2
81.03389	0.6
84.08128	0.3
85.02903	1.9
86.09684	0.4
91.03954	0.4
97.02871	0.8
98.09682	0.3
98.97583	0.3
99.04439	0.4
109.02913	0.5
109.05080	0.3
116.98605	0.3
119.04916	0.4
124.25185	0.2
127.03896	0.6
134.03644	0.4
134.04617	7.2
135.03024	0.6
136.06172	0.2
137.05966	0.5
138.12680	0.2
140.02740	0.4
147.04393	2.2
152.05672	2.4
154.08636	0.2
164.07091	0.3
165.02312	1.9
165.05460	0.5
167.02570	1.0
167.07063	0.3
182.04950	100.0
182.11748	0.9
183.05298	1.5
231.18465	0.7
246.33250	0.2
249.19995	0.3
261.19629	0.2
343.61264	0.5
344.10196	23.9
344.26904	1.4
345.10480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	69.8
56.97284	5.1
57.03424	14.6
57.07083	26.0
67.05498	64.0
69.07065	93.2
71.08617	25.5
71.62191	8.7
78.14720	5.0
79.05478	50.6
81.07052	100.0
83.08617	55.6
85.10153	7.2
91.05460	13.5
91.23856	5.3
93.07031	47.8
95.04962	8.2
95.08599	89.7
96.08836	8.1
97.06509	28.3
97.10135	39.3
98.09646	6.6
105.07014	37.5
107.04951	7.3
107.07503	5.3
107.08571	41.7
109.06522	6.1
109.10152	45.7
109.34626	5.1
111.08083	13.1
111.11686	10.9
121.10132	88.0
123.04505	7.4
123.08030	5.8
123.11684	22.8
132.37297	5.2
135.11694	60.9
137.13275	11.0
147.04485	7.0
149.13272	33.5
151.07509	25.8
151.14835	9.8
163.07538	36.3
163.14798	12.2
164.07991	6.5
179.07010	12.7
213.37260	6.3
233.22617	76.9
251.23674	84.1
269.24759	5.9
309.45758	5.8
310.04257	5.9
325.27457	50.7
337.02963	5.8
343.08093	9.0
343.15768	8.5
343.22577	15.6
343.26007	7.7
344.26987	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05510	16.7
57.07069	4.9
65.03912	4.1
67.05501	50.5
69.03434	4.9
69.07062	29.0
70.06578	2.8
71.04996	5.4
71.08619	3.2
71.12959	5.0
79.05492	26.1
81.07048	95.2
82.07410	2.4
83.04974	4.8
83.08603	17.8
84.04510	2.6
85.06531	9.5
91.05476	29.0
93.07037	54.0
95.04964	9.8
95.08598	100.0
96.49470	1.9
96.50455	2.0
97.06499	3.2
97.10188	10.7
98.09655	3.5
99.08093	4.8
105.07026	30.5
107.08584	35.9
109.06496	4.5
109.10147	49.0
109.10818	3.6
111.08072	5.2
111.11710	4.3
117.07031	4.0
119.04991	13.6
119.08569	23.4
120.08968	2.4
121.06507	4.0
121.10155	28.8
122.04663	2.6
123.04417	10.2
123.08070	5.9
123.11691	24.6
125.09606	4.4
131.08560	11.5
133.10133	22.6
135.08073	2.3
135.11687	28.1
136.14185	2.5
137.05951	4.9
137.09651	10.6
137.13240	6.5
139.11205	5.5
139.60864	2.2
145.10130	14.5
147.04401	46.4
147.11676	16.0
148.04724	2.7
149.06033	4.1
149.13228	22.4
151.11127	3.2
151.14786	4.1
155.10661	5.0
159.11667	12.8
161.13274	13.6
163.11180	4.8
163.14822	13.4
165.12709	5.4
165.16431	3.3
167.07022	6.3
167.08441	2.3
167.11784	16.4
173.13295	4.2
175.14865	13.3
177.16444	5.0
181.04962	9.4
181.12192	2.6
187.14833	5.9
189.16396	8.0
193.15752	2.2
201.16441	4.6
203.17802	2.7
207.10167	2.5
215.17953	5.1
231.21040	2.8
259.24237	3.0
263.23550	3.5
267.52661	2.3
271.09576	3.4
271.24213	22.1
277.25311	7.5
289.25229	34.2
295.26379	4.7
307.26239	19.6
325.27402	12.9
343.08038	4.9
343.11728	6.3
343.15689	4.8
343.28860	2.5
344.27051	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	1.8
55.01865	3.9
55.05509	14.0
56.10827	1.5
56.56408	1.7
57.03424	6.4
57.07056	6.0
59.04997	2.6
61.12444	1.6
63.92405	1.9
65.03918	2.5
67.05502	18.2
69.03417	6.2
69.07076	9.1
71.05006	14.3
79.05489	15.4
81.03404	2.1
81.07049	21.7
83.04954	5.8
83.08599	2.8
85.06526	2.7
91.05482	23.5
93.07037	49.8
95.04962	39.4
95.08604	58.7
97.06527	14.2
103.05465	2.4
105.07025	61.5
107.04912	3.1
107.08591	39.7
109.06504	13.8
109.10152	5.3
115.05418	5.2
117.07032	22.8
119.07800	1.8
119.08582	23.4
121.06511	11.5
121.10149	14.1
123.04427	2.1
123.08067	20.1
128.06151	3.0
129.07007	4.8
130.07790	10.5
131.08551	5.8
133.06462	6.1
133.10150	13.3
135.08052	16.2
135.11707	10.1
137.05896	1.7
137.09680	2.3
142.07765	3.9
143.08528	10.0
145.06445	2.3
145.10117	59.6
145.11269	2.9
146.10522	2.0
147.08035	9.9
147.11652	3.7
149.09581	3.1
151.07544	35.5
153.09048	2.1
154.27077	1.7
155.08536	2.8
156.09436	1.9
157.10112	6.7
159.08035	3.7
159.11679	4.5
161.09601	8.6
161.13257	3.4
163.07545	2.1
163.11172	54.7
164.11423	1.9
165.06906	1.8
165.09105	11.2
169.10071	2.9
171.08109	1.6
171.11661	4.9
173.09595	4.5
173.13206	3.3
175.11166	4.8
175.23964	1.7
177.09071	4.2
179.07068	3.3
179.08485	2.0
181.10042	4.1
181.12198	3.6
183.11700	4.8
185.13235	1.7
187.11079	3.0
189.09056	1.8
189.12703	8.5
191.14291	2.2
193.10085	1.8
197.13211	3.4
201.12640	3.1
203.14244	5.9
207.10072	2.1
207.13815	5.6
209.13290	2.4
209.15338	2.0
217.12222	3.5
221.15358	23.6
222.15691	2.1
223.14876	3.6
240.23264	2.4
241.16043	2.0
243.06497	2.1
263.16357	4.7
267.17285	2.1
269.15451	3.3
274.19241	2.0
286.19272	5.8
287.16357	3.1
307.20236	2.1
308.06314	1.7
311.12787	2.9
325.21747	8.6
343.08035	5.9
343.22644	100.0
344.07520	1.8
344.22983	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	2.9
55.01866	6.3
55.05506	14.1
57.03416	5.7
57.07061	7.4
59.04996	6.1
67.05167	1.6
67.05502	22.0
69.03429	8.6
69.07070	8.4
71.02504	3.0
71.02854	1.4
71.04990	17.0
79.05488	17.6
81.07052	26.9
83.04955	5.0
83.08605	2.7
85.02882	1.9
85.06537	2.5
91.05474	24.0
92.93852	1.2
93.07034	54.7
94.07326	1.5
95.04961	49.2
95.08593	67.5
97.06530	14.4
97.10123	2.0
103.05457	2.4
105.07021	68.1
106.07334	1.8
107.04943	4.2
107.08585	47.1
107.48917	1.1
108.05676	1.6
109.06514	13.3
109.10129	6.1
111.08007	2.4
112.24232	1.2
115.05429	6.9
116.06242	2.7
117.07008	26.6
119.08571	25.3
121.06493	15.5
121.10128	17.0
122.07336	1.8
123.08058	23.9
125.05984	3.0
125.09621	1.7
128.06235	2.3
129.06969	5.8
129.48584	1.5
130.07791	15.4
131.08588	8.7
133.06488	4.1
133.10114	15.0
135.08031	18.9
135.11687	14.9
137.06007	2.6
137.09581	6.0
141.06897	1.6
142.07787	4.0
143.08524	10.6
144.09369	2.0
145.10109	79.3
146.10480	2.9
147.08015	12.4
147.11652	5.3
148.08629	1.4
149.09590	5.0
151.07532	44.8
153.09084	3.7
155.08507	1.8
155.10603	1.6
156.09309	2.7
157.10091	8.8
159.08051	3.8
159.11703	7.6
161.09566	7.6
161.13240	3.8
163.07527	2.2
163.11162	54.9
165.09079	14.2
169.10114	3.2
171.11661	6.8
173.09581	3.8
173.13216	3.1
174.10312	1.4
175.11142	4.9
177.09152	4.1
179.07042	4.1
179.08525	1.7
179.10435	1.5
180.42744	1.4
181.12209	3.4
182.10934	1.6
183.11714	4.0
185.09584	2.1
185.13287	3.2
187.11171	5.5
189.09070	1.7
189.12767	8.9
191.10536	2.1
191.14362	2.9
193.10046	1.5
195.11592	2.1
197.13264	3.7
199.11337	1.6
199.14828	1.5
201.12752	3.2
203.14307	7.4
207.10051	1.9
207.13850	3.9
208.12479	1.6
209.13358	2.1
209.15326	3.7
213.12822	2.2
215.14301	3.8
217.12161	2.6
217.15912	1.7
221.13403	1.7
221.15346	31.8
223.14760	2.1
225.12657	1.8
225.16362	1.9
233.15329	4.9
241.15843	3.4
245.15411	2.2
247.16937	1.8
251.14232	1.5
263.16476	5.2
267.17563	1.8
269.15414	3.2
271.16797	1.4
286.19250	3.3
287.16373	3.1
287.19849	1.6
297.22006	1.5
298.78223	1.3
307.20477	2.9
325.21555	14.6
343.11603	2.3
343.22653	100.0
344.07587	1.5
344.22742	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03930	1.8
53.97483	1.0
55.01852	4.7
55.05260	1.0
55.05505	11.7
57.03431	7.5
57.07079	6.9
59.05004	5.9
65.03928	1.9
67.05168	1.3
67.05499	19.2
69.03425	8.9
69.07074	5.5
70.32615	4.5
70.32970	1.8
71.04990	15.5
74.43377	0.9
79.05489	18.3
79.18723	0.9
81.03413	1.5
81.07056	25.4
83.04970	6.4
83.08603	3.8
85.02866	1.3
85.06528	2.9
91.05475	25.1
93.07037	61.2
95.04963	48.4
95.08599	64.2
97.06532	14.4
103.05432	2.5
105.07024	65.7
106.07337	1.6
107.04930	4.9
107.08588	43.3
107.18780	1.0
108.05757	1.4
109.06516	16.7
109.10123	4.3
111.08092	1.9
113.09621	1.7
115.05475	5.3
117.06213	1.6
117.07011	27.4
119.04966	1.3
119.08576	25.5
121.06500	13.8
121.10142	17.2
123.04448	1.7
123.08055	22.9
123.11666	1.3
125.06003	2.6
125.09595	1.6
128.06204	4.1
129.06976	5.0
130.07796	13.7
131.08597	8.7
133.06467	5.2
133.10118	14.7
135.08046	17.8
135.11668	13.3
137.05934	1.8
137.09654	4.8
141.06888	1.3
142.07761	3.4
143.08565	9.6
144.09290	1.7
145.06468	2.4
145.10115	71.0
146.10478	1.7
147.08028	12.9
147.11665	5.8
149.09608	5.7
151.07535	41.9
153.09087	2.5
155.08553	3.9
155.10699	1.8
156.09282	2.9
157.10135	12.3
159.08055	3.9
159.11717	7.6
160.08833	1.7
161.09653	7.2
161.13228	3.7
163.07520	1.5
163.11169	54.3
165.06961	1.3
165.09091	14.6
166.07767	1.2
167.08533	1.8
169.10077	2.8
170.10863	1.4
171.08038	1.1
171.11722	5.5
172.08652	1.1
173.09621	4.8
173.13292	2.3
175.11142	5.4
175.14842	1.2
177.09126	4.4
179.06973	4.4
179.08467	1.8
179.10538	1.2
181.10146	2.0
181.12224	3.4
182.10831	1.6
183.11703	5.9
185.09634	2.0
185.13257	3.2
187.11176	5.4
187.14908	1.5
189.09070	3.1
189.12712	8.7
191.14317	3.3
192.09387	1.3
195.11722	3.5
197.13196	3.8
199.11183	2.8
199.14763	2.3
201.12836	2.3
201.55946	1.0
203.14272	7.7
207.10126	2.4
207.11938	1.8
207.13808	4.4
208.12361	1.4
209.13376	2.2
209.15390	3.7
213.12778	1.2
215.14334	2.7
217.12135	2.7
221.13426	1.2
221.15344	28.0
222.15683	2.3
223.14886	2.3
225.12726	2.8
225.16484	1.3
233.15370	3.9
241.15829	1.8
243.13727	1.8
245.15402	1.6
259.17099	1.4
263.16293	5.4
269.15292	3.0
274.19211	1.6
285.18417	1.2
286.19147	3.8
287.16302	1.3
287.20007	1.5
307.20569	2.4
325.21661	13.0
343.22656	100.0
344.23062	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03945	7.4
55.01857	4.4
55.05508	11.6
56.96556	4.6
57.03414	7.1
57.07072	7.5
58.06591	12.4
59.04994	9.0
65.07258	3.8
67.05518	24.1
69.03418	6.7
69.07070	7.5
71.04987	16.4
71.61972	6.6
76.47257	3.7
79.05489	16.4
81.07038	29.6
85.02905	4.3
85.06538	4.0
89.05972	4.6
90.01873	3.7
91.05481	21.1
93.07032	46.2
95.04956	44.3
95.08595	67.1
97.06535	14.9
103.05473	5.0
105.07020	73.2
107.04942	8.4
107.08587	36.2
109.06507	16.2
109.10143	4.4
117.07004	20.3
117.24382	3.8
119.08576	23.4
121.06507	15.9
121.10143	12.1
123.04458	5.0
123.08049	21.2
123.11674	4.9
128.06273	5.4
129.07039	5.6
130.07762	13.4
131.08559	9.0
133.10153	9.5
135.08002	19.2
135.11681	11.1
137.09598	5.6
143.08539	11.1
145.10114	66.6
147.08026	9.0
149.09692	4.0
151.07536	32.4
153.09073	4.2
157.10120	8.6
157.44952	4.3
159.11690	5.2
161.09621	10.1
163.07585	5.1
163.11166	43.4
165.09117	13.6
171.11723	5.2
175.11127	4.9
187.14728	4.8
189.09108	5.6
189.12755	7.1
192.10318	7.5
203.14363	8.5
207.13818	5.8
209.15347	5.4
221.15434	26.6
256.87549	4.8
263.16357	5.3
266.29449	3.6
287.16193	3.9
287.20282	6.5
301.81833	4.0
316.53433	3.7
325.21664	9.7
339.91168	4.1
343.11783	5.9
343.16763	9.1
343.22638	100.0
343.26144	6.0
344.15018	8.6
344.22849	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	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
53.06263	0.5
55.01849	2.0
55.05502	2.3
56.08270	0.5
56.96549	0.8
57.03439	3.3
57.07064	0.9
59.04984	0.5
61.02925	4.1
67.05473	1.2
69.03427	12.8
69.07053	2.4
69.71141	1.5
69.71560	2.3
70.06586	3.9
70.07401	0.5
71.01336	0.6
71.04996	3.0
72.07790	0.9
72.08151	10.4
73.02916	1.9
79.05486	4.4
81.03417	5.4
81.07059	7.7
83.04977	6.7
84.04475	1.1
84.08137	2.1
85.02901	27.6
85.06492	0.8
86.09695	4.1
87.04463	1.8
87.10033	1.0
91.03949	2.5
91.05473	5.5
92.05734	0.6
93.07042	9.5
95.04967	17.4
95.08578	2.1
97.02888	10.7
97.06535	3.6
97.07615	0.5
98.06018	1.0
98.09679	0.9
98.97520	0.7
99.04440	1.8
103.03910	1.1
103.05441	1.0
105.07023	7.9
107.04922	1.5
107.07962	0.7
107.08597	9.0
109.02863	3.5
109.06529	2.9
109.10088	0.7
114.10282	0.9
115.05386	0.9
115.08717	0.7
116.07073	1.4
117.06956	3.3
119.04934	5.5
119.08572	4.1
121.06523	3.7
121.10137	12.6
123.04401	0.9
123.08083	1.4
125.05978	12.0
126.05482	2.5
127.03910	10.5
129.07007	1.5
130.07777	2.9
131.08592	0.6
133.06416	1.2
133.10106	1.3
135.04356	0.9
135.08084	1.4
135.11690	7.2
137.05974	1.5
137.09579	0.7
143.08600	1.1
145.04961	6.7
145.10110	19.1
146.10464	1.0
147.04402	28.1
147.08035	1.5
148.04774	0.7
149.09634	0.9
161.09601	1.7
163.04021	0.8
163.11172	100.0
164.11578	2.5
165.09114	1.4
167.07033	2.0
171.06578	0.6
175.11119	1.6
177.05444	0.9
180.10208	2.4
181.04947	3.5
181.06360	0.5
181.12224	17.9
183.10181	1.5
187.11150	0.7
197.12880	1.6
200.18333	0.7
205.12239	0.9
215.06982	1.6
218.11777	5.5
223.11098	0.6
223.13319	1.4
228.18098	0.6
267.06549	0.6
272.09222	1.2
282.15637	0.7
300.49454	0.6
307.15271	1.4
316.27530	0.9
325.16299	0.8
343.12180	2.0
343.16541	15.8
343.20294	1.0
343.25659	1.3
343.29956	0.6
344.16696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93360	0.3
53.03940	0.3
55.01865	3.4
55.05487	1.4
57.07069	0.4
64.74100	0.3
65.03929	0.6
65.35880	0.3
66.73978	0.3
67.05499	2.5
69.03400	1.4
69.07062	2.2
70.06570	0.4
70.92841	1.1
71.04968	0.7
75.04511	0.3
79.05466	1.5
80.05013	1.6
81.03429	1.7
81.03925	0.4
81.07053	6.4
83.04984	0.4
83.08605	0.7
84.08138	0.6
84.66099	0.3
85.02879	1.5
85.06541	1.4
86.47566	0.4
91.05457	1.3
93.07040	3.2
94.06551	1.5
95.04934	1.5
95.08600	5.3
97.02850	1.0
97.06475	0.6
104.84731	0.3
105.07022	2.3
105.28638	0.3
107.04913	0.4
107.07273	0.3
107.08578	2.1
108.08103	0.8
109.02847	1.0
109.05230	0.3
109.06470	0.4
109.10129	2.4
110.06038	0.9
111.08064	0.5
111.11700	0.5
117.07027	0.4
119.08570	1.3
120.08101	0.9
121.06470	0.6
121.10127	1.8
122.06039	2.6
123.04413	2.7
123.11675	1.2
125.05019	0.4
125.05942	0.3
126.05518	0.4
127.03889	1.0
131.08551	0.6
132.04434	0.6
132.08066	0.7
133.10117	0.9
134.06018	0.8
134.09671	2.1
135.11664	1.4
137.06000	0.4
137.09587	0.5
137.13237	0.5
140.04645	1.1
142.02556	0.3
145.06326	0.4
145.10147	1.0
146.05994	2.8
146.09613	0.7
147.04385	1.0
147.05487	0.5
147.11644	1.2
148.06297	1.0
148.07547	2.4
149.05965	0.9
149.07095	0.4
149.08330	0.9
149.13213	0.8
150.09154	0.6
153.01820	0.5
153.05414	0.6
155.07101	0.5
158.05948	0.9
159.06744	1.0
159.11629	0.6
160.07544	2.1
161.13200	0.7
162.09073	1.9
163.11166	1.4
163.14760	0.4
165.12724	0.4
171.06487	0.8
172.07536	1.2
174.09122	0.9
175.14725	0.3
176.10526	0.6
177.16360	0.5
181.04951	10.3
182.05295	0.7
183.06746	0.4
184.07523	0.6
184.11139	0.6
185.08371	0.4
186.09151	2.4
188.10713	1.3
197.08394	0.7
198.09050	1.6
199.05916	0.4
200.08936	0.6
200.10687	9.5
202.12276	1.5
207.06448	0.4
207.10197	0.5
212.10686	4.3
214.12312	0.8
215.18126	0.3
224.10506	0.5
226.12186	1.1
229.13344	34.1
230.13672	1.2
241.13341	3.3
254.11771	0.6
255.14906	11.8
257.16464	100.0
258.16812	3.0
271.09561	0.6
282.08807	0.4
283.14395	20.8
284.14679	0.8
289.25211	1.1
293.08206	0.3
296.22369	0.4
297.07629	0.7
301.15613	0.9
307.26361	0.7
325.09579	0.7
325.27335	0.6
343.07996	1.3
343.12082	1.4
343.16489	28.6
344.16895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Millinolol
Peak:m/z	Relative Intensity
53.03926	0.5
55.05498	0.7
67.05502	3.7
68.99780	3.1
69.03422	1.3
69.07050	2.1
69.96255	1.4
69.96668	1.2
70.06612	0.4
71.04990	0.8
79.05479	1.3
81.07056	3.8
83.04968	0.6
83.08603	0.5
83.25225	0.4
83.25729	0.4
83.81100	0.5
85.02889	0.9
91.05479	2.6
93.07034	1.7
95.04951	4.3
95.08591	1.5
97.02888	1.3
97.06538	0.6
98.20832	0.6
101.62912	0.4
103.05437	1.2
104.26839	0.4
105.07018	3.4
107.04937	1.2
107.08591	1.6
109.06490	0.9
109.10142	1.2
111.08065	0.7
115.05410	0.6
117.06967	0.6
119.04898	0.7
119.08572	2.4
121.06516	2.3
121.10129	0.9
123.04417	100.0
123.11712	0.6
124.04729	2.6
127.03955	0.5
128.06221	0.9
131.04926	0.9
131.08554	1.2
133.06520	3.1
133.10121	1.1
135.04413	0.8
135.08061	1.0
135.11678	0.7
136.05139	0.5
137.05994	2.4
143.08510	2.5
145.06479	1.3
145.10089	0.8
147.04395	3.0
147.08028	0.9
147.11751	0.7
149.05971	26.8
150.06274	1.1
151.07516	0.9
157.10158	0.5
159.11696	0.5
161.05968	9.4
161.09607	2.3
161.13087	0.4
163.11179	2.3
165.05493	0.6
167.06978	0.5
169.10144	0.5
171.08052	7.1
172.08450	0.7
173.13283	0.5
174.06741	2.2
175.07573	0.6
175.11171	0.6
175.14677	0.5
177.05527	0.5
181.04945	1.5
181.12245	0.5
189.09093	16.1
190.09497	0.8
203.10710	2.1
205.01268	1.2
207.10143	28.2
208.10501	2.4
209.04460	1.3
211.07568	0.7
215.10841	0.9
215.17798	0.6
221.11702	2.3
233.11681	1.0
246.34019	0.5
253.08543	1.8
271.09631	54.3
272.09927	4.4
283.06143	0.9
285.07901	0.6
287.09195	1.3
325.07202	1.4
325.10629	0.8
325.14285	7.5
326.14697	0.8
343.08444	3.2
343.11673	2.5
343.15082	4.9
343.22607	0.7
343.26294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1537
Annotation	Millinolol
Peak:m/z	Relative Intensity
55.01868	2.8
55.05498	3.1
65.03889	1.7
67.05501	7.9
68.17076	1.4
68.99788	12.0
69.03433	3.9
69.07066	18.7
72.08157	2.4
79.05492	6.2
81.03407	2.2
81.07057	16.8
83.04982	2.6
83.08615	1.6
85.02892	2.7
85.06538	1.9
85.07897	1.4
91.05478	5.9
93.07040	9.0
95.04974	9.9
95.08582	6.9
97.02871	2.9
98.21499	3.3
99.04483	2.4
103.05491	4.4
105.07033	4.9
107.04943	100.0
107.08573	3.7
108.05273	1.9
109.02888	2.4
109.06505	1.7
109.10172	3.1
111.08032	1.8
117.06960	1.8
119.04958	1.7
119.08585	5.3
121.06499	20.9
121.10121	2.4
123.04419	95.0
123.11714	2.3
124.04721	2.6
125.05965	4.7
129.05496	1.6
131.04936	3.9
133.06447	1.9
133.10129	1.8
135.04408	66.1
135.08031	1.9
135.11656	3.1
137.05974	6.5
139.03931	2.3
143.08537	3.0
145.06464	2.4
145.10124	6.0
147.04391	9.0
147.07951	2.1
147.11674	1.6
149.05972	70.2
149.09607	2.1
151.03900	7.3
153.05453	97.1
154.05872	1.5
159.08069	2.1
160.05223	2.5
161.05931	3.5
161.09703	2.4
163.07516	4.1
163.11211	6.0
165.05463	3.9
167.08598	1.7
171.08084	1.8
173.05989	1.7
173.09613	4.6
174.06763	2.6
175.07530	3.4
177.05507	7.4
177.09177	1.5
181.04948	3.3
181.12257	1.9
185.06085	1.7
189.09099	25.3
191.10655	75.5
192.11046	3.0
193.08623	4.5
193.12299	2.3
195.08029	2.3
197.06038	1.7
199.07507	3.2
203.10484	1.8
205.12184	2.5
207.10126	18.1
211.07518	2.3
213.05502	1.7
213.09062	2.2
215.10640	2.3
223.07629	2.2
226.06291	2.2
227.07051	2.7
229.04950	2.5
233.11775	1.9
239.07002	4.5
241.04907	2.7
241.08626	6.2
251.07022	5.4
254.05693	1.9
257.08157	4.5
269.08069	34.1
271.09515	2.0
287.09088	24.1
297.11182	3.6
325.07098	7.6
325.10745	2.5
325.14133	8.1
343.08090	6.2
343.11615	12.2
343.15433	17.3
343.22693	3.2
343.29889	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1234
Annotation	Sucrose
Peak:m/z	Relative Intensity
53.03915	2.3
55.01857	9.1
56.96556	4.9
57.03422	8.8
61.02916	10.3
62.44474	2.0
62.71116	2.2
67.25975	1.9
68.01797	2.5
69.03067	3.2
69.03423	37.5
70.06573	6.3
71.04977	4.5
71.60695	3.4
72.08147	15.3
73.02903	5.8
73.08492	3.3
77.57831	2.1
81.03411	4.1
84.08125	3.5
85.02898	100.0
86.06060	2.7
88.14489	2.3
91.05763	2.7
97.02889	37.5
97.06506	2.4
98.97582	3.8
99.04430	11.6
101.02379	4.9
101.47762	2.1
109.02862	8.2
112.02171	2.2
113.01791	2.0
115.03907	3.6
116.98614	2.5
118.08643	10.3
119.01910	5.9
119.08981	3.3
127.03910	71.2
128.59258	2.0
138.05458	7.2
145.04944	47.9
146.02190	2.9
152.03355	2.3
153.06613	2.8
163.06000	8.6
163.07309	2.3
172.95238	6.8
190.96300	4.8
197.03816	3.6
202.09467	2.9
225.06937	4.0
241.06433	4.8
258.71780	2.3
261.13330	2.2
269.05917	3.9
280.07599	4.1
280.10419	3.0
326.08136	5.5
343.11618	4.7
344.09152	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96489	3.2
59.82113	0.6
66.71018	0.6
71.60337	1.3
98.97575	6.6
100.39583	0.6
107.52723	0.6
108.53127	0.7
109.97054	0.7
116.00107	0.6
116.98598	9.5
119.01817	2.2
134.01106	0.7
134.99646	9.2
136.04428	0.8
137.02927	1.2
153.00577	1.9
158.01137	0.7
158.99750	0.6
159.06046	1.0
160.04405	0.8
177.00920	7.6
178.00935	1.2
179.00578	1.3
183.06059	2.9
190.95314	0.6
192.98643	2.3
201.00819	1.1
201.07202	4.5
202.45753	0.6
216.98622	2.2
218.03531	2.7
218.98511	1.2
219.02008	17.4
220.01968	5.5
221.01819	5.1
224.08708	0.6
234.96411	0.8
234.99915	12.1
235.99963	3.3
236.99477	3.4
240.98895	2.1
242.03583	1.7
243.01793	1.1
244.32800	0.7
245.35155	0.6
252.97612	0.8
253.00943	3.5
258.01248	0.9
258.99939	20.0
260.00162	4.3
260.04633	3.0
261.00046	1.0
261.03018	14.9
262.03125	1.6
263.02802	1.7
264.98932	2.1
275.97794	0.9
276.02475	1.1
276.97543	4.7
277.00964	32.7
278.00983	7.1
278.03833	1.1
279.00626	3.4
280.00769	1.2
282.99930	42.0
283.06406	4.5
284.00034	7.3
284.04730	0.9
284.99869	1.0
285.99881	0.8
289.07004	0.7
294.98688	1.4
300.02646	0.8
300.97815	5.3
301.01001	100.0
302.01108	15.5
302.04727	1.0
302.06113	1.0
303.00644	3.2
304.01062	1.4
318.98557	14.7
319.02112	8.1
319.98721	1.1
320.01984	1.4
324.02670	4.7
325.00916	7.0
325.07306	1.0
336.99487	1.1
342.00183	0.8
342.03983	1.1
342.98859	2.4
343.02078	51.4
343.07950	4.2
344.02237	7.8
360.99530	6.4
361.03149	18.6
362.03116	2.1
366.03613	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	342.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.00634	0.5
55.01867	1.5
55.05508	7.6
55.09370	0.6
57.03410	0.7
57.07067	11.3
61.02904	2.1
67.05512	1.5
69.03419	4.3
69.07050	1.7
70.06586	23.6
70.55135	0.6
71.04964	0.7
71.62757	1.0
72.08144	6.9
73.02895	1.0
73.08468	0.7
79.05479	1.3
81.03397	2.7
81.07038	2.9
83.04984	1.4
83.08602	2.9
84.04475	0.7
84.08130	2.4
85.02898	12.4
85.06510	1.5
86.09688	4.7
87.04453	0.9
89.06023	28.5
89.10785	0.6
91.05456	1.4
91.47343	0.6
93.03388	0.7
93.07046	1.6
95.04953	1.3
95.08595	1.8
96.05296	0.8
97.02866	3.7
97.06519	1.4
98.06057	0.9
98.09677	1.2
99.04439	1.1
99.08079	0.7
100.11240	0.8
101.09646	12.3
103.31626	0.7
105.07011	1.3
107.04964	0.7
107.07061	29.9
109.02869	2.0
109.06517	0.6
109.10132	1.3
111.04474	0.7
114.10280	1.2
119.04944	3.0
120.08082	0.7
120.08894	0.8
121.02871	3.6
121.06484	0.8
121.10117	1.0
127.03899	2.9
130.08658	1.1
131.08537	0.7
137.05963	1.4
142.12265	1.2
145.02914	0.7
145.04964	3.3
145.10039	0.7
146.05989	0.7
147.04405	6.4
148.04747	0.7
163.03883	1.8
163.13278	100.0
167.07037	0.7
179.03397	2.6
180.06514	0.8
181.04935	5.0
181.10725	0.7
183.14914	4.6
187.07439	0.8
192.05638	0.7
211.14427	4.7
218.11678	0.9
227.07021	1.0
242.77887	0.8
245.18553	1.3
255.06505	2.1
256.07230	1.3
271.06296	1.0
272.09262	1.0
283.06006	10.0
284.06726	3.9
295.05881	1.0
297.07550	43.8
297.69910	0.7
313.07025	1.4
314.07538	0.8
325.06982	10.9
325.10977	1.2
333.18713	0.8
342.07007	1.1
342.13733	1.4
342.25647	3.5
343.08105	42.3
343.16504	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05499	1.0
56.03435	0.3
56.96556	0.5
57.03427	2.4
59.61636	0.3
60.05598	0.4
61.02913	1.1
62.31203	0.3
69.03426	2.2
70.06587	1.9
71.04992	0.7
71.08624	1.6
71.61576	0.8
72.08153	4.1
73.02899	0.5
79.05473	0.9
79.58908	0.4
81.03396	1.2
81.06642	0.5
81.07053	5.1
83.04975	0.8
83.06090	0.5
84.04478	0.5
84.08129	0.8
85.02429	0.4
85.02901	6.8
85.06522	0.7
86.09698	1.4
89.10789	0.4
91.05437	0.6
95.04889	0.5
97.02889	2.0
98.06025	0.5
98.09669	0.6
98.97576	1.5
99.04456	0.4
99.08080	6.2
107.04939	0.5
109.02885	0.7
109.06510	6.7
111.05568	0.5
112.05078	0.4
114.10313	0.4
115.08669	0.5
116.98598	1.3
117.09120	35.0
118.09453	0.4
119.04930	1.3
120.08099	0.9
123.04449	0.3
127.03934	1.8
127.07550	13.4
130.06511	0.6
131.12909	0.4
133.05197	1.2
134.05989	1.3
134.09592	0.7
134.99620	0.6
137.05939	0.6
138.09181	0.5
139.05017	1.1
145.04893	0.8
145.08488	0.5
147.04411	3.2
147.06758	1.0
148.04808	0.4
150.09103	0.9
152.07076	0.4
158.99567	0.5
162.09128	9.8
163.09642	11.4
167.11813	0.6
177.00739	0.9
180.10178	100.0
181.04944	1.1
181.10516	2.9
192.05386	0.5
195.11264	3.9
199.29723	0.3
199.38243	0.3
214.08574	0.9
218.11694	0.6
222.06529	0.8
223.09061	1.4
223.10992	0.4
259.17981	0.4
315.14621	0.5
324.15543	0.9
334.11679	0.6
342.11148	1.0
342.15414	4.1
342.21594	0.3
342.25342	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	342.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
57.03431	1.5
59.04995	0.2
61.02911	0.8
65.03294	0.2
69.03436	1.4
69.40990	2.3
70.06581	0.6
71.04993	0.4
71.08629	1.2
72.08160	1.4
73.02908	0.4
79.05486	0.5
79.32500	0.2
81.03401	0.4
81.07053	2.9
84.08150	0.3
85.02906	3.4
85.06514	0.6
86.09676	0.4
87.04460	0.2
97.02879	1.2
98.06048	0.3
98.09687	0.3
98.21525	0.4
99.04439	0.3
99.08086	4.3
106.06493	0.3
109.02842	0.5
109.06515	3.3
114.10369	0.2
117.09127	20.9
119.08537	0.2
127.03902	0.5
127.07552	7.8
133.05212	1.1
134.05981	1.5
134.09636	0.7
144.08060	0.5
145.04955	0.3
145.08591	0.3
147.04402	1.1
147.06769	1.0
148.04750	0.3
162.09145	8.9
163.09651	6.4
167.07201	0.2
180.10188	100.0
181.10545	3.6
205.63922	0.2
259.84485	0.3
342.11612	0.4
342.15396	3.8
342.25311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
55.05498	0.6
57.03429	2.8
58.06577	0.4
61.02900	1.0
69.03420	3.0
69.07022	0.6
69.48091	0.3
70.06580	1.6
71.04979	1.2
71.08631	2.5
71.24922	0.9
72.08152	2.6
75.14909	0.4
79.05482	0.9
81.03394	1.5
81.07053	4.8
83.04974	0.6
84.08121	1.2
85.02897	8.1
85.06546	1.1
86.09680	1.0
87.04441	0.6
89.10782	0.4
91.05436	0.8
92.05758	0.4
93.07027	0.6
95.04967	0.5
95.66658	0.3
96.04462	0.4
97.02898	2.7
98.97578	0.9
99.04451	1.0
99.08084	9.1
101.06080	0.4
105.06975	0.4
107.04930	0.6
109.02863	1.5
109.06502	7.2
116.98583	0.7
117.09122	46.2
118.09435	0.7
119.04896	0.8
120.08090	1.2
125.24796	0.4
127.03889	1.4
127.07545	18.9
128.07921	0.4
133.05196	1.1
134.05995	0.9
134.09631	0.7
138.09111	1.2
144.08119	0.7
145.04948	1.1
145.08609	0.8
147.04396	3.1
147.06749	0.5
162.09131	10.7
163.09648	16.1
167.07074	0.6
179.03383	0.8
180.10181	100.0
181.04944	1.5
181.10571	3.4
195.11240	0.7
218.60135	0.4
223.09059	0.7
251.10728	0.5
252.57397	0.5
279.10168	0.9
311.12704	0.7
314.12009	0.5
315.14478	0.6
342.11630	0.8
342.15491	4.3
360.09805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
56.96550	0.6
57.03424	0.8
58.06590	0.5
61.02912	0.5
62.13149	0.4
67.05487	0.6
69.03433	2.5
69.81777	0.4
70.06578	1.9
70.64999	0.4
71.04972	0.7
71.18997	1.3
72.08151	2.5
73.02910	0.5
81.03399	1.5
81.07041	0.5
82.06593	0.4
83.06125	0.5
84.04498	0.7
84.08134	1.4
85.02901	5.5
86.09708	0.5
87.00829	1.2
87.04456	0.9
91.05830	0.5
94.06551	1.3
95.04936	0.5
96.08131	1.1
97.02902	2.3
98.06052	6.0
98.97557	1.0
99.04478	0.5
99.08081	0.5
105.01859	1.6
109.02881	1.2
110.07133	0.7
111.04419	0.5
114.05482	0.4
116.07111	0.5
116.98609	0.6
122.06019	1.6
124.07635	0.5
127.03922	2.6
127.07627	0.5
136.07520	0.4
138.05463	1.6
140.07057	13.1
143.03140	1.8
145.04935	1.5
147.04369	1.8
148.04950	0.6
162.05290	3.7
162.09145	0.5
164.10793	0.4
167.06981	0.5
177.05595	0.5
180.06323	11.3
180.08647	0.5
180.10109	1.1
181.09750	0.9
185.04256	3.5
186.12500	0.4
192.07591	0.8
198.07491	0.5
203.05269	13.5
210.08742	1.6
224.12762	0.7
236.08298	0.6
237.02721	0.7
245.05128	0.8
251.10689	1.8
279.10254	2.2
280.11380	0.5
296.10596	0.8
311.12607	1.3
319.41257	0.5
324.10449	2.6
342.11578	100.0
343.12018	2.2
360.02789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01863	1.3
55.05507	42.2
57.03412	1.5
57.07073	47.5
59.04980	1.8
67.05500	18.4
69.03428	1.2
69.07063	100.0
70.07379	1.7
70.69341	3.5
71.04968	2.4
71.08627	37.4
73.06557	2.7
73.85429	1.1
76.27924	1.2
79.05499	9.0
81.07051	48.7
83.04974	2.6
83.08614	69.9
84.08907	1.1
85.02871	1.2
85.06534	10.2
85.10181	18.4
90.90734	1.2
91.05468	5.6
93.07045	16.5
95.04980	1.9
95.08598	44.7
97.06535	11.1
97.10162	52.0
98.10511	1.3
99.08091	1.9
99.11731	4.2
101.05984	2.4
105.07029	11.4
107.08582	17.8
109.06507	4.0
109.10143	27.9
111.08054	5.9
111.11716	32.2
113.09624	2.1
113.13266	1.7
115.07584	10.9
119.08570	13.3
121.10128	15.5
123.04416	3.5
123.08088	6.5
123.11707	14.1
125.09618	5.7
125.13265	13.6
127.07539	4.9
129.09087	5.2
133.10118	12.1
135.11674	11.2
137.05925	1.6
137.09631	5.9
137.13216	7.8
139.11183	3.7
139.14806	5.2
141.09085	3.9
143.10661	3.6
147.11664	14.6
149.13261	11.3
150.76282	1.1
151.11168	10.8
151.14798	3.3
153.12767	5.7
153.16354	1.8
155.10646	5.1
157.12169	2.2
161.13264	13.2
163.14818	5.6
165.12750	13.0
165.16338	2.8
167.14343	4.1
169.10091	1.3
169.12234	4.4
171.11632	1.4
171.13753	2.2
175.14816	7.8
177.16357	2.5
179.03323	1.3
179.14273	14.9
179.17976	1.6
181.15843	1.8
183.13817	6.2
185.15414	2.6
189.16391	3.2
191.17943	3.0
193.15858	6.1
193.19545	1.2
197.15318	5.6
199.16953	2.0
203.18011	3.1
205.19586	2.1
207.17421	4.4
207.21092	2.2
209.18997	2.4
211.16986	1.6
217.19556	3.2
221.19028	2.4
223.20439	2.8
231.21112	3.7
235.20523	1.8
239.20401	1.2
241.21655	2.1
249.22119	2.6
250.61421	1.1
253.21745	1.2
263.27301	6.6
273.11148	1.2
287.27274	8.7
305.28391	10.0
308.22180	1.1
323.29367	2.1
341.26709	1.9
341.30545	2.6
342.13901	1.2
342.37259	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	341.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58130	2.2
53.03921	4.4
55.01861	5.8
55.05257	2.9
55.05509	45.1
56.63654	2.3
57.03435	4.4
57.06820	3.1
57.07072	45.3
57.77112	2.2
67.05177	2.7
67.05503	39.0
68.05817	5.5
69.03422	5.3
69.07064	100.0
70.02470	8.7
70.02880	6.0
71.04974	7.3
71.08625	34.2
76.56604	2.2
79.05478	12.9
80.05847	2.6
81.07053	68.1
82.07375	7.4
83.04956	10.5
83.08134	5.2
83.08612	77.2
84.05255	2.2
85.06538	23.6
85.10173	23.7
91.05456	19.0
92.05785	5.3
93.07037	27.2
94.07402	3.6
95.04963	6.1
95.08602	70.4
97.06525	13.5
97.10161	51.1
99.11708	3.4
101.05999	3.6
105.07030	28.0
106.07352	7.5
107.08588	33.0
108.08927	3.4
109.06503	10.5
109.10151	42.9
110.10487	8.0
111.08055	9.0
111.11718	32.1
113.09657	3.0
115.07536	8.8
117.06972	3.8
119.08568	17.6
120.08868	3.2
121.06487	2.7
121.10146	20.4
123.04403	19.6
123.08057	10.7
123.11714	22.8
124.12012	3.7
125.09621	4.3
125.13252	15.6
127.07497	5.2
129.09090	5.5
131.08548	3.6
133.06493	2.6
133.10127	37.3
134.10463	20.3
135.07993	4.1
135.11685	9.6
137.05923	7.4
137.09576	8.7
137.13268	6.9
139.11197	3.6
139.14749	5.5
141.09068	5.1
142.07834	2.2
143.08553	2.9
143.10640	4.3
145.10089	11.6
147.07899	2.9
147.11658	13.6
149.05968	3.4
149.13240	13.5
149.50537	2.1
151.07532	60.8
151.11177	32.6
151.14842	2.7
152.11507	24.6
153.12749	6.2
153.16275	3.1
155.10631	4.8
157.12289	3.4
159.11673	2.9
161.13272	14.9
163.07541	6.6
163.14798	6.1
165.12711	12.2
165.16367	3.1
167.14410	3.5
169.10063	3.1
169.12227	6.4
171.08096	2.2
171.13686	3.3
173.13242	5.2
175.07455	2.3
175.14807	7.1
177.09123	5.3
177.16386	4.0
179.14258	15.9
179.17952	2.6
180.11073	3.6
183.13789	14.7
183.51360	2.2
184.14153	9.9
187.07602	3.9
189.09111	14.2
189.16348	4.6
191.10736	11.2
191.18007	3.0
193.15860	6.9
197.15341	6.6
201.09056	5.1
203.10670	5.1
205.08650	2.7
207.17458	4.0
215.10609	5.4
215.45120	2.4
217.19386	2.8
227.10591	3.3
229.12239	8.2
231.21138	2.9
235.20486	4.1
241.12218	5.2
241.21660	3.3
243.13768	3.3
249.22049	3.7
256.14462	4.8
257.15311	4.9
263.27301	6.9
274.18878	4.8
276.00525	2.7
283.16928	10.2
287.27350	9.6
292.19693	2.5
305.28448	11.0
306.28632	2.7
307.26346	4.0
323.20044	5.6
323.29504	4.8
341.13702	5.4
341.21204	21.5
341.26920	11.2
342.21222	3.9
342.33871	2.6
342.37433	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	341.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07002	1.9
53.03935	3.9
55.05505	46.2
57.03401	2.9
57.07072	60.2
58.06594	2.8
59.04989	2.1
59.53530	2.4
67.05507	14.6
68.81555	2.0
69.07063	100.0
70.07381	2.0
71.04987	2.5
71.08621	36.7
71.36502	4.5
73.06541	2.8
79.05487	6.5
81.07048	50.7
81.19318	2.0
83.04978	3.4
83.08611	73.6
85.06530	8.2
85.10180	24.0
91.05473	8.3
93.07033	19.6
95.04934	2.9
95.08598	45.8
97.06524	9.6
97.10162	49.9
99.11727	3.1
105.06997	12.6
107.08588	19.3
109.06516	2.9
109.10144	27.8
111.08100	5.6
111.11703	31.2
113.13309	2.4
115.07552	8.3
119.08575	11.7
121.06511	2.0
121.10146	15.7
123.04423	15.4
123.08054	3.5
123.11686	15.3
125.09604	5.2
125.13260	14.7
127.07535	6.9
129.09122	4.1
131.36592	2.0
133.10123	13.7
135.11702	11.2
137.05981	6.4
137.09581	4.0
137.13257	8.9
139.11171	3.5
139.14851	4.2
140.02437	1.9
141.09102	5.5
143.08537	2.9
145.10126	3.1
147.11687	13.6
149.06012	3.5
149.13278	10.3
151.11166	8.0
151.14816	6.0
153.12724	3.5
155.10632	6.1
157.12292	4.3
159.11778	2.1
161.13213	13.9
163.07600	4.8
163.14847	5.1
165.12740	10.8
167.14297	3.3
169.12256	6.0
171.13847	2.9
173.13361	2.4
175.14809	7.2
177.16415	3.9
179.03447	4.2
179.14322	17.4
183.13812	7.4
185.15306	3.2
189.16376	3.5
193.15892	8.4
197.15392	4.6
199.80763	1.9
203.10580	2.6
203.17963	3.1
205.19470	2.6
207.17558	2.8
207.21069	2.5
211.16858	3.3
217.19504	3.5
221.19017	2.6
223.82870	2.4
235.20616	3.1
263.27444	5.2
287.27274	9.3
305.28265	9.9
341.06262	3.9
341.13644	3.1
341.36237	5.0
342.37250	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1742
Annotation	Gancaonin Z
Peak:m/z	Relative Intensity
51.00002	0.4
53.00305	0.6
53.03929	0.6
54.14544	0.4
55.01858	0.7
60.36004	0.4
65.03909	0.6
67.05503	2.2
68.99780	1.4
69.07059	100.0
70.07388	1.4
70.19156	1.0
70.19552	0.8
76.67902	0.4
77.69940	0.5
79.05508	0.5
81.07047	2.0
91.05481	0.5
93.07049	0.8
93.48384	0.5
95.04971	2.7
97.95467	0.4
103.05449	0.7
105.07049	1.2
107.04938	1.2
109.06514	1.5
109.70074	0.4
121.06489	1.8
123.04413	85.5
124.04751	1.7
130.07761	0.6
134.03587	0.6
135.04367	1.6
135.08110	1.0
136.05188	1.0
137.05960	53.7
138.06343	0.8
145.10049	1.2
146.33904	0.4
147.04410	0.9
147.11673	0.5
149.05965	13.1
150.06174	0.6
151.07504	2.4
161.05988	0.5
163.07498	5.1
175.07516	1.0
188.48111	0.5
191.10667	1.1
205.12215	17.1
205.14188	0.9
206.12520	0.9
219.13780	1.4
258.08881	0.9
271.09598	3.7
273.11191	20.1
274.11551	0.8
285.11142	2.5
341.13516	0.5
341.17172	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2684
Annotation	Officinoic acid A
Peak:m/z	Relative Intensity
51.12992	3.3
55.05506	29.6
57.03426	9.4
57.07055	18.4
67.05162	6.6
67.05502	79.7
69.06725	5.4
69.07068	48.9
69.55634	29.3
69.97080	3.0
71.04989	5.5
71.08623	10.4
72.92740	3.3
75.41815	3.2
79.05492	25.7
81.06577	5.7
81.07053	100.0
83.08603	31.8
85.06522	4.5
85.10192	3.9
91.05478	23.4
93.07043	33.4
95.08598	97.2
97.06527	12.4
97.10165	19.9
98.20786	6.9
103.03980	3.3
105.07015	19.4
107.08583	28.9
109.10149	53.3
111.08065	6.0
111.11731	10.2
113.09676	4.8
119.08584	20.5
121.10151	28.5
123.04427	6.9
123.11700	19.1
125.13220	3.2
127.11203	5.2
133.10147	24.1
135.11678	25.2
137.05896	3.6
137.09615	5.7
137.13190	16.7
140.60930	3.4
141.09149	3.5
141.12698	4.1
147.11671	17.0
149.13213	21.1
151.11191	4.8
151.14813	14.2
153.12653	3.8
161.13252	20.4
163.14888	5.4
165.16400	11.7
175.14828	14.7
189.16408	6.7
231.21065	67.9
231.23224	5.5
249.22116	68.3
291.22888	3.9
323.25760	41.4
341.27341	15.1
341.35992	3.5
342.13571	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	341.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60330	0.3
55.05516	1.3
55.23260	0.3
56.96556	0.4
57.03434	0.4
58.98615	0.3
61.02915	0.3
65.03930	0.4
69.03419	1.2
69.07062	0.7
70.06597	2.3
71.05009	0.4
71.54402	0.5
71.54760	0.3
72.08151	7.0
79.05493	0.4
81.03426	0.6
81.07026	0.7
84.04485	0.5
84.08134	1.9
85.02900	1.6
86.06073	0.4
86.09708	0.4
91.05396	2.8
93.07014	0.4
95.04955	0.6
97.02875	0.8
98.06041	1.0
98.09696	0.4
98.97559	0.3
103.05452	0.3
105.07049	0.5
107.04949	1.0
109.02882	0.7
116.98647	0.6
119.04935	16.0
119.08555	0.5
120.05211	0.3
121.06472	0.3
121.10181	0.3
123.04449	0.8
124.03941	0.4
125.06104	0.3
127.03918	0.6
129.10233	0.3
134.99718	0.5
135.08105	0.4
136.07545	0.3
137.05942	1.6
138.05518	0.4
139.03865	0.3
140.07092	0.5
141.86961	0.3
145.02881	0.5
147.04399	100.0
148.04735	1.3
151.07526	0.5
159.08069	0.3
164.07060	1.1
167.06990	0.3
168.06490	0.5
173.05933	0.3
177.05476	1.1
179.03410	6.2
179.05858	0.3
180.10182	0.5
181.04991	0.3
187.07484	0.6
217.08618	0.4
218.11746	44.1
219.12029	1.0
245.55205	0.3
251.56424	0.6
260.56992	0.3
323.12543	0.5
323.15973	0.6
341.06409	0.7
341.14883	20.9
342.15240	1.0
359.02646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Obovaten
Peak:m/z	Relative Intensity
51.65232	0.9
53.03924	2.1
53.15509	1.0
55.01852	3.4
55.05510	5.5
57.07065	1.9
60.95179	1.2
65.03941	1.4
67.05495	10.0
69.03402	3.0
69.07057	8.4
70.03325	6.0
71.04971	2.5
72.08143	2.6
75.62934	1.1
77.03894	1.6
78.04685	2.3
79.05490	14.9
80.91725	1.3
81.03408	2.3
81.06585	1.3
81.07050	22.7
83.04955	3.6
83.08607	1.4
84.04540	1.1
85.02889	1.8
85.06537	11.7
88.11308	1.0
91.05469	14.7
93.03383	1.0
93.07042	13.7
94.04152	1.4
95.04950	14.5
95.08042	1.5
95.08602	16.8
97.02871	1.6
97.06514	2.8
97.10150	1.6
98.06087	1.2
98.20831	1.3
99.04453	1.3
99.08128	1.3
103.05433	3.7
105.03377	1.6
105.07024	24.5
106.04166	1.5
107.04279	2.0
107.04951	26.7
107.08588	11.7
108.41765	1.1
109.02867	2.5
109.06495	3.0
109.10144	13.9
111.04436	1.3
111.08033	3.1
113.06039	1.5
115.05418	5.9
116.06204	2.4
116.98611	1.1
117.06998	3.1
119.04922	3.3
119.08565	8.2
121.06471	4.6
121.10141	8.9
122.03639	2.1
123.04428	12.2
123.08081	1.3
123.11687	5.0
124.05191	4.5
125.05968	3.4
125.09615	1.9
127.05441	1.5
128.06215	10.0
129.06987	50.3
131.04881	4.8
131.08604	5.2
133.06490	12.0
133.10092	5.3
135.08075	1.4
135.11699	6.5
137.05960	21.2
137.09515	2.0
139.11140	2.4
141.06950	2.4
143.05995	1.2
143.08556	1.4
144.05649	7.7
145.06474	9.8
145.10086	3.8
146.07321	1.9
147.04395	4.8
147.08011	2.4
147.11659	4.1
149.05962	2.7
149.13251	3.6
151.03900	2.8
151.11177	1.8
152.04688	3.6
152.06209	1.1
153.05482	6.7
153.06570	1.1
155.04927	12.4
155.06990	1.9
156.05693	2.2
157.06488	3.0
157.10057	1.4
159.08035	23.1
159.11687	4.1
161.05977	27.8
161.09618	5.7
161.13306	1.8
162.06625	1.2
163.07587	2.0
163.11134	1.2
163.14812	1.5
165.05527	1.8
165.06967	2.6
167.07031	66.7
169.06488	3.0
171.04396	3.3
171.11642	1.5
172.05176	4.7
173.13290	1.6
175.07518	6.5
175.14807	1.3
177.05452	1.8
177.06972	1.8
177.09082	1.1
177.16389	1.8
178.07730	11.3
179.03397	4.2
179.07011	4.2
179.08470	2.4
181.06541	1.9
181.08636	1.6
187.07530	88.4
187.14815	1.6
188.07947	2.0
189.07050	8.1
189.08821	5.7
189.16347	1.4
190.07729	4.6
191.07022	2.1
191.08537	7.6
192.09349	2.5
193.10143	6.2
194.07227	1.4
195.08031	5.1
201.05545	1.3
201.09088	1.5
202.07777	10.9
203.08566	15.9
203.17946	1.2
205.06505	8.8
205.08438	2.6
206.07234	19.3
207.07968	6.3
209.09679	1.4
211.07550	1.3
215.10715	1.3
217.06468	6.5
217.08633	3.1
218.07231	3.6
219.08032	11.3
220.05270	1.4
220.08701	7.1
221.06033	1.9
221.09593	30.3
223.07541	7.9
231.08031	11.1
233.05960	5.0
233.09471	1.6
234.06731	27.3
235.07509	12.3
236.08270	1.9
237.09106	3.3
238.09837	2.5
239.07211	1.4
245.05936	2.6
246.06435	1.2
247.07541	6.9
248.08276	9.8
249.09097	40.4
250.06244	2.3
250.09781	4.9
251.07033	17.3
251.10748	3.2
252.07664	1.7
253.08475	1.7
253.12256	1.9
259.07483	3.9
260.92932	1.0
261.05353	1.3
261.09369	1.6
262.06229	4.8
263.06952	5.5
263.10632	3.6
264.07913	1.9
265.08578	9.6
266.09357	11.8
267.10114	3.4
269.22595	1.9
270.08868	1.3
271.09503	1.7
276.07794	4.4
277.08578	22.4
278.09329	4.3
279.06500	7.3
279.10132	3.4
280.07056	1.5
280.11203	1.8
281.11691	81.6
282.12106	2.5
283.09628	2.9
287.23672	3.8
291.10126	7.1
293.08215	5.3
293.11133	1.3
293.24612	1.4
294.08807	15.0
295.09668	7.5
296.10300	1.7
298.04803	2.5
305.24695	5.1
308.10297	1.6
309.11188	100.0
310.11789	10.0
311.09021	7.9
311.12741	4.2
313.07190	6.3
313.14319	2.5
313.96964	1.1
323.05453	1.3
323.12869	5.9
323.25812	3.4
325.10870	1.5
326.11340	5.5
341.06552	4.2
341.10327	4.6
341.13791	96.0
342.14032	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	341.1382
Annotation	Obovaten
Peak:m/z	Relative Intensity
53.03937	1.9
55.01856	2.8
55.05490	1.6
56.27485	0.9
57.71992	1.0
66.72200	1.1
67.05484	1.9
69.03425	1.8
69.07047	2.1
71.04949	1.0
71.08650	1.1
71.62804	1.1
72.08136	1.4
76.74554	1.0
78.04689	3.0
79.05480	12.9
81.03394	1.6
81.07052	7.3
83.04971	1.3
83.41758	1.0
85.06524	1.5
91.05052	0.9
91.05486	10.3
93.07027	3.7
94.04169	1.1
95.04977	5.6
95.08575	3.4
96.05782	1.2
97.02901	1.1
99.08038	1.0
103.05436	4.4
105.07024	16.0
106.04119	1.1
107.04945	23.0
107.08569	3.2
109.06492	1.3
109.10126	2.8
111.08069	1.2
115.05458	5.6
116.06235	3.8
117.07013	2.9
118.04097	1.9
119.04929	2.7
119.08586	3.1
121.02850	1.3
121.06476	2.4
121.10146	2.4
123.04409	5.3
123.08093	1.2
123.11658	2.3
123.91035	1.1
124.05242	5.0
124.07558	1.1
125.05997	2.5
127.05487	1.2
128.06213	11.2
129.07004	51.1
131.04901	6.4
131.08525	3.6
133.02786	1.4
133.06485	14.6
135.11655	1.7
137.05957	10.1
138.03078	1.3
140.04700	1.8
141.07004	1.5
143.08562	1.5
144.05704	9.9
145.06531	6.0
146.03595	1.9
147.04393	3.5
147.08006	1.7
149.05916	1.9
149.13202	1.3
151.03867	3.1
151.07649	1.2
152.04655	4.7
153.05479	5.0
155.04880	12.9
155.07001	1.2
156.05666	4.3
157.06461	2.1
159.08043	27.4
161.05969	26.7
161.09590	3.9
163.07431	1.8
164.04601	1.1
165.05469	1.8
165.06981	4.0
166.07907	1.1
167.07042	64.2
168.07336	2.0
169.06439	2.2
171.04433	1.4
172.05109	4.9
173.13260	1.7
174.06755	1.1
175.07590	6.1
177.05455	1.2
178.07776	10.5
179.07002	4.4
179.08443	1.9
180.07806	1.3
181.06506	1.6
181.08516	2.2
187.07533	100.0
188.07942	2.3
189.06966	7.4
189.09056	4.7
190.07719	3.5
191.07022	1.9
191.08524	7.4
192.09325	1.6
193.10086	5.9
194.07379	1.0
195.08051	3.9
201.05449	1.6
201.09027	1.4
202.07793	11.1
203.08560	12.7
204.09187	2.1
205.06490	7.7
206.07266	18.0
207.08080	5.6
208.08691	1.3
209.09586	1.4
217.06607	6.5
218.07224	4.9
219.08025	13.0
220.08778	4.7
221.06033	1.5
221.09602	28.8
223.07600	6.5
231.08043	8.9
232.08571	1.1
233.05954	3.3
233.09618	1.6
234.04562	2.0
234.06741	21.2
235.07529	10.3
237.09030	3.7
238.09819	3.3
245.05945	4.4
247.07535	5.6
248.08327	7.3
249.05362	1.9
249.09088	44.1
250.06329	1.4
250.09758	6.9
250.12088	1.0
251.07013	15.4
252.07629	1.7
253.08801	1.0
253.12167	2.1
259.07489	3.0
261.05457	2.1
261.09177	1.5
262.06250	5.1
263.07040	4.8
263.10532	2.9
264.07974	1.8
265.08606	8.2
266.09372	15.5
267.10147	1.9
276.07745	2.0
277.08554	22.4
278.09143	4.5
279.06488	7.3
279.09766	2.3
280.07428	1.1
280.10791	2.5
281.11707	76.1
282.12027	1.5
283.09616	3.0
286.89233	1.1
291.10114	4.7
293.07993	5.2
294.05884	1.8
294.08884	14.5
295.09592	7.9
297.07626	1.5
305.24640	2.0
309.11197	82.2
310.11807	10.8
311.06500	1.0
311.09241	9.5
312.09622	1.1
313.14362	2.1
323.12738	1.7
326.11465	8.1
341.13782	97.1
342.14072	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	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03938	2.6
55.01872	2.4
55.05503	8.2
57.07060	4.0
65.03937	3.0
67.05494	15.1
69.03421	4.0
69.07063	16.3
70.06595	2.0
71.04985	6.1
79.05482	12.9
81.03402	3.4
81.07047	38.7
83.04977	5.6
83.08615	4.4
84.08160	4.1
85.02891	1.7
85.06544	10.6
86.09692	2.8
91.05463	14.5
92.94638	1.2
93.07035	24.7
94.04164	2.4
95.04957	18.3
95.08602	25.7
97.02892	3.2
97.06524	4.4
97.10177	2.1
99.04438	3.4
99.08086	3.5
103.05457	4.6
105.03424	1.4
105.07021	16.0
107.04932	5.9
107.08585	16.8
109.02895	1.8
109.06502	7.8
109.10143	18.3
111.04454	2.2
111.08067	5.8
111.11693	1.8
113.06010	2.2
115.05439	3.4
117.07020	3.6
119.04914	4.4
119.08576	12.3
120.08057	1.3
121.06519	4.3
121.10151	17.0
122.03632	8.4
123.04422	20.5
123.08082	1.3
123.11726	8.0
125.06000	2.4
125.09627	2.9
128.06226	3.4
129.07007	10.4
131.04889	4.2
131.08566	6.6
132.05629	1.7
133.02835	5.8
133.06468	4.6
133.10110	9.4
135.08041	3.3
135.11691	7.0
137.05963	100.0
137.09605	2.1
137.13257	1.6
139.03914	1.9
139.11197	3.8
143.08557	2.5
144.05620	1.9
145.06462	3.1
145.10103	7.3
147.04413	5.9
147.07999	2.1
147.11682	5.4
149.05980	8.6
149.09618	1.8
149.13231	4.6
151.03897	3.0
151.07523	5.4
151.11212	2.7
153.05435	2.9
153.12714	1.5
157.06514	5.3
157.10100	2.1
159.07983	1.7
159.11685	6.5
160.05182	3.8
161.05966	5.6
161.09608	1.8
161.12027	1.6
161.13248	5.8
163.03833	2.0
163.07541	3.5
163.11093	2.2
163.14871	3.5
165.05501	5.9
165.06749	1.6
165.12691	1.8
167.07027	5.3
171.08005	1.7
171.11658	1.8
172.05182	4.7
173.13272	2.5
174.06772	9.6
175.07526	18.1
175.14786	2.4
177.05444	8.2
177.09096	4.1
177.12685	1.8
177.16391	2.2
178.06003	1.4
179.03447	2.8
179.07008	4.1
181.06456	1.8
181.12265	1.5
184.05209	1.6
185.05936	1.7
187.07521	50.5
187.14801	2.3
188.08144	1.8
189.09081	14.9
189.16362	2.4
191.07018	2.3
191.08615	3.3
192.09280	2.8
195.08044	1.7
196.05246	5.9
199.07570	5.1
201.16440	1.9
202.07770	4.1
203.08504	15.3
205.06599	2.8
205.08583	4.4
206.07309	1.4
206.89197	1.3
208.08760	1.6
211.07524	20.0
213.05441	2.9
217.08565	16.3
219.08066	9.0
220.08717	7.2
221.09572	3.1
225.05460	1.6
225.09151	1.7
227.07022	23.6
228.07770	1.4
231.08070	14.8
232.08771	3.6
233.05972	3.4
233.09558	1.9
234.06812	2.6
235.07549	2.4
235.11198	1.5
236.08302	4.0
237.09064	1.7
239.06981	10.7
240.07803	13.3
241.04996	1.5
241.08559	2.5
247.07552	5.9
248.08310	22.3
249.09068	6.2
250.06310	2.1
251.06880	2.8
251.10747	4.4
254.09277	1.7
255.06462	15.6
256.07300	8.0
259.07474	7.0
260.08237	2.7
261.09058	1.9
262.10016	1.8
263.10663	17.4
264.07785	2.4
265.08664	6.0
266.09308	2.4
268.07266	3.2
269.08051	5.0
269.22687	2.0
270.08847	38.7
271.09625	42.1
271.12582	2.6
272.09915	2.3
276.07803	12.8
277.08746	6.6
279.10196	11.7
280.10898	2.8
281.08044	3.5
281.11792	6.3
283.09631	11.7
285.07635	2.1
287.23685	5.8
291.10135	54.5
292.10593	6.0
293.08014	5.8
293.11032	1.3
294.08957	2.4
295.09607	3.2
296.10486	6.0
297.11206	2.7
305.24783	10.9
308.10495	7.1
309.11136	8.4
311.12704	12.7
311.25543	1.4
313.14331	2.9
323.09317	3.2
323.12729	45.3
323.25867	6.2
324.13077	2.0
341.06693	2.7
341.10068	3.2
341.13678	34.9
341.18365	2.1
341.26788	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	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.96561	0.8
52.02251	0.7
53.03939	0.9
55.01861	1.0
55.05510	3.3
67.05510	4.7
69.03414	1.8
69.07058	5.0
70.06447	1.9
70.06852	2.5
71.04986	0.9
72.08147	3.7
74.77701	0.7
77.52597	0.7
79.05496	5.6
81.03373	1.2
81.07055	11.7
83.04932	1.1
83.08619	2.0
85.06538	2.9
91.05462	7.5
93.07032	6.5
94.04193	2.0
95.04964	3.2
95.08604	9.7
97.02882	1.4
97.06528	1.4
103.05439	2.6
105.07012	8.7
107.04948	3.1
107.08593	4.4
109.06513	2.5
109.10162	7.6
111.08102	1.2
115.05483	4.0
117.07006	1.9
119.04948	1.5
119.08582	7.6
121.06487	2.7
121.10153	4.7
122.03652	7.6
123.04408	2.7
123.11684	3.3
128.06232	2.0
129.07018	4.9
131.04945	3.0
131.08583	2.1
132.05695	2.5
133.02864	1.4
133.06493	3.7
133.10121	2.4
135.08109	0.8
135.11627	1.9
135.79671	1.0
137.05969	100.0
137.13232	2.3
138.06322	1.7
145.06467	3.8
147.04428	7.1
147.08040	4.7
147.11676	1.8
149.05966	3.0
149.09688	1.0
149.13243	2.9
151.07547	1.6
156.05650	1.1
157.06450	2.0
159.04327	1.4
159.08054	2.0
159.11661	1.5
160.05185	3.9
161.05963	9.9
161.13243	1.3
162.06755	0.9
163.03958	1.3
163.07579	1.8
165.05472	1.5
167.07048	2.9
171.08112	1.0
171.11696	1.2
175.07538	47.0
175.14774	0.9
176.07854	1.3
177.05507	1.3
177.09111	2.4
179.07019	2.0
180.07838	1.4
181.04993	1.2
185.05930	1.4
187.03917	3.4
187.07521	9.6
189.06993	1.2
189.09109	3.1
190.07770	3.8
191.08556	7.2
191.14342	0.9
199.07509	3.1
202.07771	2.0
203.08488	4.7
205.06473	1.5
205.08574	1.0
207.08084	1.0
217.08586	1.8
218.07210	1.5
219.08046	9.8
220.08751	1.7
221.09515	1.5
231.08008	4.3
234.06749	1.1
235.07465	2.4
236.08325	2.0
247.07558	4.7
248.08231	3.9
249.09088	1.2
251.10663	14.8
253.08693	1.0
259.07477	3.2
260.08429	1.5
263.10736	2.7
264.07816	1.2
265.08655	2.0
269.22406	0.9
277.08676	1.9
279.10120	11.6
281.08197	1.5
281.11639	2.5
287.23767	1.6
291.10098	5.5
292.10638	1.9
295.62350	0.9
296.10492	2.0
305.24612	1.8
308.06778	0.8
309.11102	4.3
311.12738	14.4
323.12653	7.4
323.25714	1.2
326.11279	1.0
341.06668	1.2
341.10074	3.2
341.13821	16.1
341.26822	1.8
342.14169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	MORACHALCONE A
Peak:m/z	Relative Intensity
50.08441	0.5
53.03960	0.7
55.01859	0.8
55.05510	3.7
57.07052	0.6
59.04988	2.3
65.03938	9.0
65.67722	0.5
67.05492	2.5
68.99791	3.5
69.07055	2.0
70.40444	0.5
70.42413	2.4
71.01339	0.6
71.08633	0.6
74.47468	0.6
79.05484	1.8
81.07045	4.3
83.04978	35.2
83.08611	1.3
91.05459	2.6
93.03402	7.5
93.07030	1.1
93.27930	0.6
95.04965	3.7
95.08582	2.2
98.21416	0.7
103.05425	0.9
105.03385	0.6
105.07014	2.5
107.04924	2.1
107.08584	1.7
109.06497	0.6
109.10159	0.7
111.04415	1.7
115.05400	0.7
119.04922	1.0
119.08560	1.4
121.02853	12.5
121.06515	2.9
121.10140	1.0
123.04420	61.6
124.04818	1.0
131.08566	1.3
133.02750	0.7
133.06470	1.1
135.04393	0.7
135.08032	0.8
136.27527	0.7
137.05948	2.8
139.04001	0.6
144.05746	0.8
145.06549	0.8
145.10086	1.1
147.04373	4.4
149.02342	13.6
149.05977	11.5
151.07578	0.7
159.08060	2.5
161.05951	2.7
161.09398	0.6
163.03908	11.4
163.07513	8.4
167.03394	53.4
170.07274	0.6
175.03877	2.0
175.07607	0.9
177.09081	2.2
179.03368	1.1
185.09676	0.8
187.07529	7.6
189.09097	1.5
190.06007	0.6
193.04997	2.0
201.09105	5.0
205.08603	30.3
213.05412	0.7
213.09143	1.1
219.10147	11.9
270.08719	0.7
271.09653	2.2
283.09482	0.7
284.06326	2.7
284.71024	0.6
285.07016	10.4
287.23767	0.7
298.33838	0.7
299.12885	1.3
305.24677	1.2
313.07013	0.6
313.14432	0.7
313.82449	0.6
323.12677	4.1
341.13797	100.0
342.14017	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	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01876	1.0
55.05506	1.2
57.07085	0.8
59.05000	5.3
67.05503	3.5
68.99788	4.6
69.03419	1.3
69.07061	3.1
70.79332	1.0
70.79662	1.5
71.04977	1.0
79.05495	1.8
81.07049	5.5
83.04989	0.8
83.08616	1.1
85.02940	0.7
91.05477	1.9
93.07058	4.0
95.04982	3.5
95.08592	4.5
97.06512	0.8
103.05481	4.5
105.07013	2.8
107.04945	1.9
107.08585	2.1
109.06527	0.8
109.10159	2.4
117.06980	1.2
119.04897	1.0
119.08569	1.6
121.02847	0.7
121.06472	3.4
121.10135	2.2
123.04424	100.0
123.11693	0.8
124.04759	1.6
129.06978	1.0
131.04939	6.0
131.08549	1.0
133.06506	0.9
133.10097	1.5
135.04399	1.7
135.08003	1.1
135.11703	1.3
137.05975	7.2
139.03876	0.8
143.08525	0.9
147.04395	13.1
147.11685	1.0
149.05965	13.8
149.13268	1.5
150.06366	0.7
158.95024	0.7
159.08098	2.4
161.06000	2.8
163.07535	64.3
164.07928	0.9
165.05476	6.5
167.07050	1.2
173.06041	1.3
175.07556	4.3
177.05489	1.0
177.09081	6.9
187.07550	5.6
189.09116	4.4
201.09044	1.1
205.08588	24.3
211.07544	0.9
217.08522	0.9
219.10208	1.2
231.10197	0.8
239.06911	0.9
248.08377	0.9
270.08905	0.7
271.09674	2.2
277.08545	0.8
279.10147	1.0
281.11603	1.1
283.09637	1.8
291.10165	2.3
299.12790	7.7
305.24728	1.9
309.11136	2.6
311.12570	1.0
313.14276	1.5
323.12817	5.8
341.13809	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	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
54.16206	0.6
55.05506	0.7
57.00991	0.6
59.05002	6.7
67.05490	2.0
68.82330	0.5
68.99778	4.2
69.03425	1.1
70.87223	1.9
72.94088	0.5
79.05490	1.1
81.07043	3.0
84.64687	0.5
91.05464	2.6
93.07024	1.2
95.04990	3.0
95.08614	0.7
103.05446	1.2
105.07002	1.1
107.04942	2.0
107.08609	1.0
117.07044	1.2
121.06479	3.5
123.04417	100.0
124.04745	1.2
131.08597	1.1
135.04402	2.2
135.08101	1.5
137.05957	1.8
146.29724	0.7
147.04393	10.8
149.05969	14.9
156.58427	0.5
159.08034	2.4
161.05959	2.2
163.07530	59.7
164.07860	0.7
165.05501	3.6
175.07545	4.1
177.09085	7.1
187.07437	3.8
189.09023	3.4
191.10637	1.1
201.09158	1.4
205.08575	21.6
206.08989	0.7
219.10120	1.1
229.08775	0.8
231.10265	1.3
240.28633	0.7
271.09592	1.1
283.09750	0.8
299.12732	7.2
309.11417	0.9
313.14362	1.1
323.12714	3.9
341.13797	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01858	1.6
55.05507	2.0
57.03413	1.1
57.07051	1.3
65.03925	0.8
67.05495	4.9
69.03433	1.9
69.07062	4.4
69.18658	0.9
70.17604	1.6
70.18014	2.9
71.04984	1.3
72.08141	1.3
79.05488	7.0
81.03416	1.4
81.07051	9.3
83.04964	1.9
83.08606	1.1
85.02908	1.1
85.06550	3.0
91.05444	6.6
93.07038	4.7
94.04171	2.4
95.04965	3.6
95.08602	7.7
97.02891	2.2
97.06546	1.4
97.10142	0.8
99.08097	1.0
103.05453	5.4
105.07028	9.3
107.04933	6.7
107.08597	4.1
109.02838	0.9
109.06516	3.6
109.10138	5.6
111.08089	1.4
114.21655	0.8
115.05446	3.7
116.06241	1.5
117.07011	1.6
118.89678	0.7
119.04945	2.2
119.08562	4.0
121.06494	1.6
121.10142	3.6
122.03645	7.9
123.04430	5.8
123.11681	2.6
125.05939	1.2
128.06218	5.3
129.06996	11.3
131.04933	8.8
131.08553	1.9
132.05743	1.7
133.02852	1.3
133.06496	6.4
133.10127	1.9
135.04401	1.0
135.11678	2.8
137.05969	100.0
137.13264	1.0
138.06326	1.7
141.06958	1.1
143.04918	1.2
143.05969	0.9
144.05659	2.6
145.06482	3.2
145.10077	1.5
146.03642	1.0
147.04390	6.2
147.08012	3.8
149.05951	1.4
149.13243	2.2
151.03928	1.0
151.07542	1.8
153.01836	1.3
153.05473	1.8
155.04913	3.5
156.05663	1.7
157.06395	1.1
159.08026	8.3
160.05176	2.0
161.05972	14.8
161.09541	1.7
161.13219	1.7
163.07564	7.9
165.05563	1.3
165.06950	1.9
167.07031	16.9
169.06609	1.1
171.08025	1.7
171.11624	0.8
172.05196	2.5
173.05943	0.9
173.49771	0.7
175.07535	26.8
175.09001	1.6
177.05551	1.1
177.09071	1.1
178.07796	2.2
179.03413	1.5
179.07011	3.4
179.08414	1.0
184.05153	1.3
187.05849	1.9
187.07536	34.3
189.07042	1.9
189.09102	3.3
190.07758	3.5
191.07071	1.4
191.08553	8.7
192.09288	1.1
193.10118	0.9
199.07538	8.2
201.05417	1.1
202.07796	4.8
203.08551	8.6
205.06508	3.2
205.08490	1.0
206.07257	4.7
207.08080	2.0
208.08780	0.9
211.07524	1.0
215.08548	0.9
217.06587	1.6
217.08646	2.3
218.07210	4.3
219.08057	14.3
219.50507	0.8
220.08809	4.9
221.09610	6.2
223.07516	1.7
230.07430	0.9
231.08041	8.8
232.08784	2.7
233.06059	1.6
234.06705	5.9
235.07535	4.5
236.08203	2.2
237.08983	1.0
247.07550	6.4
248.08339	6.5
249.09143	10.0
251.06911	4.2
251.10657	15.9
259.07553	4.2
260.08304	1.5
262.06265	1.8
263.07120	1.8
263.10645	4.0
264.07681	1.3
265.08633	2.8
266.09393	3.5
268.10806	1.0
271.09641	1.9
276.07825	1.5
277.08588	7.5
278.09274	1.2
279.06665	2.4
279.10153	13.1
280.10822	2.0
281.08554	1.1
281.11688	18.6
282.12231	0.9
283.09775	1.2
291.10059	9.2
292.10956	2.2
293.08032	1.1
294.08862	3.1
295.09586	2.3
296.10400	1.9
305.24634	2.1
308.10281	1.1
309.11188	21.2
310.11801	2.6
311.09177	2.9
311.12772	14.5
313.14230	1.3
323.12668	6.1
323.25879	1.3
326.11331	2.0
341.06558	1.7
341.10110	4.2
341.13840	29.5
342.14017	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	341.1381
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.02864	0.3
51.56929	0.4
53.03935	0.6
53.72913	0.3
55.01855	1.0
55.32586	0.3
56.44857	0.3
56.96556	0.3
59.04980	0.5
61.13494	0.3
65.03948	0.5
67.05504	3.1
67.44205	0.3
68.99786	4.9
69.06712	0.6
69.07066	7.5
69.39157	0.3
69.88967	0.6
69.89377	1.4
79.05485	1.1
81.07052	4.5
91.05473	1.4
93.07029	1.4
95.04969	6.1
95.08588	0.8
103.05444	1.7
105.07008	0.9
107.04958	1.6
109.10154	0.7
119.08630	0.7
121.06498	6.0
121.10124	0.6
123.04424	100.0
124.04763	1.5
131.08563	0.7
133.06470	1.1
133.10091	0.3
137.05946	1.0
139.03848	0.8
143.08568	0.3
145.06540	0.3
147.04401	8.3
147.08017	0.7
149.05978	34.2
150.06305	0.7
151.03935	0.7
159.08041	0.8
161.05952	1.7
163.03925	1.7
163.07532	4.4
165.05518	0.6
167.07083	0.5
175.07578	1.0
177.09131	1.7
179.03404	0.9
184.42673	0.3
187.07530	3.0
193.08517	0.3
201.09091	0.4
205.08577	3.9
207.10175	1.7
219.10100	0.4
231.10295	0.5
265.87115	0.3
271.09647	2.8
273.07410	0.4
285.04379	0.4
285.07504	2.1
295.06052	0.9
299.05652	0.4
299.12820	0.8
311.12875	0.5
323.12729	1.8
326.07837	0.4
340.28702	0.4
341.06989	1.8
341.10101	1.7
341.13669	5.8
341.20853	0.8
341.28598	1.5
341.86926	0.3
353.10205	1.1
354.10522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	(+)-Galbacin
Peak:m/z	Relative Intensity
55.05505	0.8
56.30280	0.5
59.04985	0.8
65.03927	0.5
67.05489	1.9
68.99780	2.8
69.07055	2.5
69.46154	3.5
69.46584	1.8
79.05482	2.0
80.93290	0.5
81.07044	2.9
85.02924	0.6
91.05454	3.7
93.07020	1.3
95.04962	3.0
95.08598	1.1
103.05459	2.6
105.07034	2.5
107.04958	1.7
107.08563	1.3
115.05439	2.6
117.06995	6.0
119.08585	2.5
121.02848	0.5
121.06516	3.1
121.10138	0.8
123.04424	58.4
124.04752	1.1
128.06268	0.7
129.07004	1.0
131.08566	1.0
133.06465	1.3
135.04387	1.1
135.08052	2.1
137.05980	2.2
139.03900	1.9
143.08543	1.1
144.05719	0.6
145.06476	11.7
146.07294	2.7
147.04390	4.5
147.08026	1.2
147.11583	0.6
149.05968	12.8
149.09592	3.6
150.06316	0.8
159.08023	1.7
161.05962	2.2
161.09683	0.8
162.06734	1.1
163.07533	26.0
164.07878	0.9
165.05429	1.6
171.08043	1.2
173.05971	14.3
174.06743	13.3
175.03882	0.7
175.07559	3.3
177.09102	9.1
178.09392	0.7
179.03429	0.7
181.12096	0.6
187.07544	4.4
188.08298	0.6
189.09128	6.1
199.07568	0.8
201.09087	0.6
204.10921	0.7
205.08588	68.4
206.08916	2.1
207.10168	1.0
215.20291	0.6
219.10149	16.2
227.07082	0.7
231.10194	1.9
255.06543	1.2
271.09647	1.0
279.10059	0.8
281.11676	0.7
283.13278	0.7
299.12704	5.8
300.12915	0.5
309.11142	1.6
311.12738	2.2
323.12784	2.2
341.13800	100.0
342.14194	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	341.138
Annotation	Euchrenone a7
Peak:m/z	Relative Intensity
51.02343	0.4
55.01850	0.7
55.05507	0.7
55.57525	0.3
55.60072	0.4
56.96544	0.6
57.07059	0.5
59.43312	0.4
60.17893	0.3
65.03944	0.5
67.05505	3.1
68.99785	3.5
69.03404	0.6
69.07079	2.3
70.60750	1.2
79.05488	1.5
81.03386	0.5
81.07053	3.5
83.05015	0.6
85.06565	0.4
91.05452	2.0
93.07088	2.0
93.07590	0.4
95.04959	5.5
95.08607	1.4
103.05461	0.7
105.07037	2.1
107.04951	1.5
107.08599	1.3
107.86217	0.3
109.06503	0.8
109.10118	0.8
116.98603	0.4
117.07001	0.6
119.04942	0.8
119.08560	1.0
121.06511	2.6
121.10112	0.5
123.04420	100.0
124.04768	1.6
129.07004	0.6
131.04938	0.5
131.08542	1.8
133.02762	0.4
133.06471	2.0
133.10138	0.5
135.04407	1.2
135.08116	0.4
137.05959	2.9
139.03886	0.9
141.06940	0.5
143.08493	0.7
145.06454	0.6
145.10187	0.5
145.92197	0.4
147.04407	3.9
149.05969	23.8
151.03891	1.3
153.05463	0.4
157.06560	0.4
159.08055	3.1
161.05983	6.1
163.03920	1.1
163.07500	3.3
165.05484	1.1
165.06955	0.6
167.07033	0.7
169.05038	0.5
172.05168	0.4
173.06024	0.5
175.07520	1.2
177.05516	1.1
177.09081	5.1
179.03430	0.5
183.07977	0.6
187.07545	9.2
188.08018	0.4
189.09122	1.3
199.07535	0.9
201.07469	0.4
201.09172	1.7
203.10661	0.5
205.04970	3.8
205.08582	13.1
207.10136	5.2
211.07512	1.0
213.05434	0.4
213.09148	1.1
217.08676	0.5
219.06554	1.2
219.10136	2.1
225.09178	0.6
231.06453	0.8
231.10197	1.6
239.07027	1.0
248.08292	0.6
251.06897	0.5
253.08461	0.6
269.07877	0.5
271.09659	10.0
271.12558	0.8
272.06879	0.4
273.07538	0.7
277.08514	0.4
283.05975	0.4
285.07578	5.3
291.10114	0.8
299.11948	1.3
309.11008	0.6
312.48865	0.4
313.14294	0.6
323.09137	0.7
323.12698	4.9
341.06598	2.0
341.10126	5.8
341.13867	15.1
341.26807	1.6
342.14191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	(+-)-5-Deoxykievitone
Peak:m/z	Relative Intensity
53.03938	0.5
55.01851	1.2
55.05505	1.0
57.07073	0.7
59.04993	1.8
65.03930	0.4
67.05493	3.7
68.99777	3.3
69.03420	5.3
69.07068	1.7
69.41719	2.5
71.04996	0.5
76.84222	0.3
79.05474	1.9
81.07045	5.4
83.04971	0.9
83.08608	0.9
85.06516	0.5
86.83301	0.3
91.05471	2.7
93.07031	3.7
95.04965	4.8
95.08601	2.6
97.02856	0.3
97.06499	0.6
99.08065	0.6
100.11242	0.9
103.05470	1.8
105.07002	2.0
107.04942	1.7
107.08578	2.2
109.02888	0.3
109.06531	0.6
109.10137	2.9
111.04438	0.3
111.08089	0.5
111.11697	0.4
115.05409	0.7
116.06190	0.3
117.07008	0.7
119.04889	0.7
119.08603	1.3
121.06493	6.7
121.10142	1.6
123.04411	100.0
123.11677	0.9
124.04694	1.4
125.09601	0.4
129.06998	1.2
131.04926	0.6
131.08551	1.7
133.02838	0.4
133.06422	1.0
133.10068	1.4
135.04410	3.3
135.08026	2.0
135.11688	0.4
137.05962	3.3
137.09619	0.3
137.13277	0.4
139.11160	0.6
141.06952	0.4
143.08560	0.6
144.05681	0.6
145.06448	0.9
145.10036	0.4
147.04388	4.7
147.11670	0.7
149.05959	22.4
149.09592	0.6
149.13268	0.4
150.06331	0.3
151.03857	0.3
151.11079	0.3
153.01764	0.9
153.05367	0.6
157.06444	0.3
157.10066	0.4
159.08028	4.0
161.05959	3.8
162.06770	0.4
163.03862	0.7
163.07524	19.5
163.14861	0.3
164.07970	0.3
165.05478	1.9
167.07019	0.8
171.02884	0.9
171.08081	0.3
173.05907	0.6
174.06715	0.5
175.07545	2.0
177.05402	0.7
177.09103	6.6
177.36008	0.3
179.03372	0.4
182.15390	0.4
185.09544	0.3
187.07530	5.7
189.09106	3.0
190.06224	0.8
191.06799	0.3
191.10674	0.3
199.07445	0.4
201.09036	1.0
203.08635	0.5
203.10646	0.8
205.08577	54.9
206.08913	1.0
217.08459	0.4
219.10127	1.4
221.09570	0.4
231.10165	2.2
238.05310	0.4
248.08368	0.4
249.08905	0.4
265.08585	0.3
269.07977	0.5
269.22839	0.3
271.09561	0.9
277.22833	0.5
281.11658	0.7
283.09436	0.8
287.23523	0.3
291.09973	0.8
299.09616	0.4
299.12744	4.4
305.24683	0.8
309.11078	1.1
311.12744	0.3
313.14264	0.9
319.12335	0.3
323.09198	0.5
323.12537	2.5
323.25720	0.8
341.06436	0.6
341.10254	0.9
341.13699	13.6
342.14105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	1.7
55.01901	2.1
55.05296	0.5
55.05542	1.8
55.92908	0.4
56.05074	0.7
56.44007	0.5
57.03429	2.8
57.07094	0.5
57.13004	0.5
58.09299	0.5
59.05011	0.8
60.05659	0.8
61.02954	1.5
67.05508	0.5
67.67226	0.4
69.03426	15.0
69.07087	1.1
70.06586	3.5
71.01367	0.9
71.04989	4.6
71.62355	0.6
71.76529	0.5
72.08155	11.0
73.02951	1.3
73.08530	0.8
75.04507	0.4
76.46000	0.5
79.05499	0.7
81.03416	15.0
81.07052	0.7
83.05003	0.9
83.06105	0.9
83.08653	0.6
84.04519	0.7
84.08162	2.2
85.02917	1.2
86.09738	2.1
87.04483	0.8
88.04008	0.5
89.10822	0.6
91.05434	2.4
95.04981	0.7
96.08179	0.7
97.02917	1.1
97.06565	0.9
98.06102	1.4
99.04446	5.6
100.07677	0.5
100.08745	0.6
103.05509	0.5
105.07027	0.8
106.06556	0.6
107.04970	0.9
109.02946	0.6
110.07177	0.7
114.10329	1.9
115.05457	0.5
117.05491	2.2
119.04934	8.8
120.08151	0.5
121.02866	0.8
121.10185	0.9
123.04418	0.8
123.08051	0.5
127.03938	0.7
129.10278	0.7
129.48340	0.4
129.75142	0.6
131.04919	0.7
131.12932	1.3
133.02843	0.6
133.06609	0.9
133.07637	3.9
133.10126	0.6
134.06064	0.9
135.09125	0.5
136.07643	0.5
136.11232	0.5
137.05972	3.2
138.09198	0.6
139.03888	1.1
145.10100	0.5
147.04399	55.4
148.04784	1.2
151.03871	0.6
152.07089	0.8
161.05945	0.8
161.07094	8.8
163.03972	0.8
163.07439	1.0
163.08653	7.6
164.07056	0.7
167.07072	0.8
167.14320	0.8
177.05411	0.7
178.07347	1.0
179.03377	9.5
179.08231	1.2
179.10599	0.6
181.04915	1.2
182.12897	0.5
187.07384	0.6
189.06570	8.0
189.09090	0.6
190.06990	0.7
191.08156	6.7
191.14258	0.6
207.07639	100.0
208.07959	1.4
218.11746	21.8
221.09282	0.9
248.34517	0.5
249.08647	1.6
291.90964	0.4
295.13007	0.5
305.11041	1.5
309.10910	0.7
313.92972	0.5
323.12366	35.7
324.12549	1.1
340.68958	0.7
341.13370	38.7
341.20596	2.5
342.13620	1.5
359.02725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03922	0.1
55.01853	0.1
55.05492	0.2
57.03417	0.1
61.02921	0.1
63.02391	0.1
65.03929	0.1
67.01852	0.2
67.05479	0.3
68.99773	0.6
69.03419	0.3
69.07055	0.2
70.06580	0.4
70.87546	0.2
70.87923	0.2
71.01344	0.2
71.04977	0.1
72.08150	0.8
79.05478	0.3
81.03408	0.3
81.07044	0.5
83.04975	0.1
84.04497	0.2
84.08127	0.3
85.02886	0.4
85.06524	0.2
86.09691	0.1
91.01859	0.1
91.05440	0.2
93.07030	0.4
95.04983	0.1
95.08604	0.4
97.02874	0.3
97.06490	0.1
98.06055	0.3
98.97536	0.1
99.04430	0.1
101.06051	0.1
103.05499	0.1
105.07028	0.3
107.04929	0.3
107.08562	0.3
109.02858	0.3
109.10154	0.2
111.04437	0.7
111.08064	0.1
114.10247	0.2
117.07023	0.1
119.04963	0.1
119.08588	0.1
121.10133	0.3
121.12594	0.1
122.06029	0.1
123.04407	0.3
123.08072	0.1
123.11689	0.1
127.03909	0.3
129.06920	0.1
130.08678	0.1
131.12921	0.1
133.02870	0.6
133.10133	0.1
135.11613	0.2
137.02318	0.3
137.05948	0.6
137.09515	0.1
138.05458	0.1
140.07098	0.1
147.04413	0.5
151.03857	0.1
155.03412	0.7
157.10905	0.1
161.02354	0.2
161.05968	0.2
163.03926	0.2
163.07471	0.1
167.07098	0.2
175.03873	0.2
175.07559	0.1
176.03403	0.1
176.07234	0.1
177.05556	0.1
179.03384	100.0
179.45918	0.1
180.03740	1.4
187.07518	0.2
189.05429	0.1
191.03391	1.3
192.04140	0.3
193.04974	0.2
203.03358	0.2
217.05014	0.2
221.04417	1.6
222.49178	0.1
231.06375	0.1
232.07338	0.1
245.04498	0.5
257.04462	0.1
263.10526	0.1
269.04590	0.2
275.05435	0.4
287.05475	0.2
288.13852	0.1
305.06424	0.2
305.24701	0.1
309.11261	0.1
311.12708	0.1
323.07922	0.2
323.12936	0.1
323.16946	0.1
324.08707	0.2
341.08533	0.5
341.14032	0.3
341.17609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.01871	0.7
55.05505	5.5
57.03427	1.0
57.07063	2.8
62.06083	100.0
65.03929	0.6
67.05498	13.1
68.05805	0.8
69.07068	5.4
70.00622	2.5
70.02955	0.5
70.59881	0.5
71.04977	0.8
71.08626	18.9
73.02905	0.5
79.05486	6.6
81.06571	1.0
81.07048	18.6
81.07516	1.0
82.07381	1.0
83.04997	0.7
83.08622	3.2
91.05462	5.6
93.07038	7.9
94.07384	1.0
95.04939	0.9
95.08601	12.5
96.08923	0.8
97.06518	0.9
97.10156	1.6
98.06062	2.9
98.21452	0.7
99.04482	0.5
99.08083	12.3
105.07019	5.1
107.08593	5.3
107.78875	0.5
109.10154	5.0
112.24076	0.6
117.07021	1.2
119.08556	3.7
121.06496	0.6
121.10119	4.3
123.04411	7.3
123.11741	1.5
124.04783	1.0
127.11178	0.7
131.08582	2.7
133.10153	1.6
135.11647	2.8
137.13254	1.5
143.08601	0.6
145.10144	2.1
147.11664	6.3
149.01244	1.2
149.02426	0.5
149.06007	2.8
149.09512	0.7
149.13258	1.4
150.06317	1.3
153.12746	1.5
156.03622	1.4
159.11668	1.2
161.13200	0.9
163.07542	2.3
163.11191	0.8
163.14851	2.0
165.12758	1.6
167.14400	0.7
173.13232	1.3
175.11223	0.6
181.15913	1.3
187.07614	0.7
187.14963	0.6
203.10768	0.7
205.08594	1.4
214.14378	0.7
224.20090	5.4
226.18243	0.7
230.19916	0.7
240.19624	0.7
242.21109	8.4
243.21083	2.3
248.20915	3.1
261.22217	2.4
279.10013	0.7
279.23120	4.5
279.65271	0.6
309.11047	0.7
317.19449	0.9
322.27390	68.8
323.25272	4.7
335.20670	0.9
340.12540	1.1
340.16324	7.0
340.28488	27.6
340.66629	0.8
341.13702	0.9
341.20966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.9834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00420	0.5
52.05827	0.7
60.82702	0.7
66.03899	0.7
70.50094	0.6
71.05035	0.8
71.61775	1.4
74.06062	1.4
79.79622	0.7
92.07121	3.9
94.93013	6.3
112.89602	2.5
114.89343	3.2
119.92503	4.4
130.01756	0.7
136.94017	5.0
148.02794	2.3
152.93526	2.3
166.95053	2.3
173.97218	5.1
176.93509	2.1
177.00916	4.8
188.93494	1.7
190.03775	1.6
191.02240	0.8
192.31911	0.7
194.94548	1.0
203.02496	7.5
205.96196	1.6
206.94432	0.8
207.97772	0.7
212.95630	0.7
217.96141	5.6
218.94539	1.9
219.01941	2.6
219.94096	56.8
220.94298	0.9
221.95677	9.2
224.25555	0.7
224.95648	0.9
235.97211	1.0
236.95148	0.8
242.96710	8.4
245.03629	2.0
247.01500	0.8
249.95155	13.3
261.95126	5.7
264.07550	0.9
279.96198	100.0
280.96396	1.7
298.94800	1.4
317.02039	5.4
321.96829	1.2
322.08087	1.1
335.03058	1.4
339.98300	29.9
340.98929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03930	2.3
55.05505	17.7
57.03423	9.2
57.07071	6.7
65.03932	2.6
67.05499	96.2
68.05818	2.1
69.07059	22.7
69.34058	2.8
69.34383	14.9
71.04967	4.7
71.08618	3.3
72.08145	1.4
73.45492	1.4
76.40697	1.4
79.05484	37.7
81.07050	100.0
83.04980	2.3
83.08610	12.5
83.15509	1.4
83.27533	1.2
85.06528	4.6
85.10181	2.1
91.05470	19.8
92.57106	1.4
93.07035	56.2
93.07622	2.8
95.04950	3.6
95.08598	93.3
96.08900	1.8
97.06504	3.7
97.10184	6.6
99.08083	3.0
105.07020	20.6
107.08582	38.6
109.06498	2.0
109.10142	54.5
110.10481	1.5
111.08075	4.0
111.11678	2.4
113.09638	1.6
114.97777	1.3
117.06992	5.8
119.08575	15.8
121.10133	41.8
123.04430	8.2
123.08063	2.2
123.11708	21.7
125.09608	3.5
131.08565	16.5
133.10136	13.7
135.11676	33.6
137.09621	2.7
137.13257	4.3
139.11150	2.2
141.83447	1.4
143.08557	2.3
145.10107	18.6
147.11670	17.8
149.05949	5.0
149.09570	2.9
149.12154	2.1
149.13242	22.6
151.11154	2.2
151.14813	3.0
157.10051	1.3
159.11674	23.7
161.13231	5.9
163.14766	7.9
165.12755	2.0
173.13239	15.7
177.12796	2.5
179.41144	1.3
187.14815	4.7
193.04944	3.1
201.16330	3.4
203.10661	4.1
217.12320	2.0
219.21098	3.5
229.19499	30.8
230.19936	2.5
231.21019	2.0
247.20557	91.0
248.20844	4.3
265.21622	6.0
279.10141	2.3
283.05911	4.5
285.22208	1.6
321.24258	14.6
321.27637	2.5
339.12070	3.1
339.15887	8.3
339.25232	23.6
339.29080	16.8
339.77695	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	339.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.7
53.05070	3.3
55.05509	20.8
56.96559	4.2
57.07071	5.2
61.02906	3.5
62.06080	5.3
65.03951	3.9
67.05497	84.9
69.07052	19.1
71.04976	4.5
71.08606	4.2
71.62148	4.3
79.05486	47.7
81.07054	95.3
83.04961	5.0
83.08611	13.7
83.75956	3.4
85.06535	4.8
91.05468	30.8
93.07037	68.2
95.04964	6.7
95.08600	85.3
96.08922	3.5
97.02845	3.7
97.06531	5.4
97.10142	3.4
98.97596	5.7
99.91891	2.8
105.07020	24.5
107.04950	4.3
107.08585	47.5
107.72090	2.8
109.06526	5.1
109.10152	50.5
111.96431	2.9
116.98598	8.2
117.06993	11.6
117.12725	3.8
119.08580	24.5
121.06541	4.2
121.10133	49.7
121.90055	2.9
123.04425	27.2
123.08092	3.4
123.11698	19.1
131.08540	18.9
133.10118	16.3
134.99634	8.6
135.08049	3.5
135.11673	41.4
137.09599	7.4
137.13264	5.6
139.11122	3.0
143.08525	6.5
145.10110	28.0
147.11679	15.9
149.05957	20.6
149.09637	3.9
149.13231	24.9
151.11140	4.7
153.12700	3.2
155.08429	3.4
156.03638	4.0
159.11684	22.5
159.63399	3.4
161.05931	3.6
161.13235	8.2
163.03995	3.3
163.14832	8.4
173.05873	3.2
173.13264	19.4
174.84407	2.9
175.11145	6.0
175.14865	5.7
177.05405	6.7
187.14874	3.8
188.08195	5.5
203.10661	13.4
217.12267	8.9
219.06575	26.0
219.21127	6.3
228.35936	2.7
229.19490	35.3
247.20543	100.0
248.20932	3.4
259.13849	3.5
265.21732	4.2
269.07803	3.6
270.91052	2.9
274.97467	10.3
283.05908	10.0
292.98483	7.5
299.18732	3.6
309.11066	3.4
321.24277	11.7
322.27460	6.7
339.08542	4.1
339.12170	23.2
339.15918	28.2
339.19028	5.0
339.25296	33.4
340.16345	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03934	1.7
55.01854	1.7
55.05502	15.6
57.03431	8.6
57.07052	4.9
58.06586	1.4
61.17716	1.1
65.03918	3.5
67.05499	89.4
68.05842	1.6
68.99780	3.6
69.03407	1.6
69.07062	17.0
69.51947	2.5
69.52351	8.7
71.04976	2.5
72.08152	1.3
73.02911	1.5
75.04474	2.5
79.05488	36.8
79.05953	2.2
81.07050	94.8
82.07348	1.3
82.15897	1.1
83.04959	2.4
83.08623	7.7
85.02897	2.3
85.06505	3.2
91.05470	20.8
93.07035	57.2
95.04936	5.3
95.08599	88.4
96.08924	2.7
97.02879	1.5
97.06532	3.8
97.10148	4.5
99.08100	2.6
103.05456	1.5
105.07011	20.6
107.04949	2.4
107.08584	42.1
109.06506	2.9
109.10149	49.6
111.08058	1.9
115.05390	1.8
116.98599	1.6
117.06969	7.3
119.08572	19.3
121.06505	5.6
121.10139	36.0
123.03549	2.2
123.04420	34.1
123.08090	2.1
123.11706	17.5
125.09605	1.5
128.06194	3.7
129.06984	2.1
130.07767	1.4
131.06396	1.2
131.08568	23.6
133.06410	1.3
133.10124	19.0
135.11688	34.0
137.09567	1.6
137.13177	3.8
139.11147	1.9
143.08539	5.0
145.06410	1.3
145.10114	22.5
147.04413	1.4
147.11673	14.6
149.05957	27.9
149.09619	3.2
149.13248	23.2
151.11145	2.0
153.12700	1.1
159.11679	18.7
160.08871	1.8
161.05939	2.5
161.13237	5.1
163.11223	1.6
163.14838	6.0
165.12703	2.9
167.03372	2.9
171.08028	2.8
172.08842	1.9
173.13222	11.8
175.07533	1.4
175.11220	6.7
175.14809	1.4
177.12651	1.8
187.14815	5.4
188.08344	6.1
201.16331	2.4
203.10638	17.5
204.10953	1.5
217.12196	12.2
219.02763	1.4
219.21094	4.3
229.12131	1.7
229.19475	32.4
247.20558	100.0
248.20911	5.1
249.22137	1.8
265.21619	6.5
274.97403	1.6
283.06061	4.8
283.17017	2.4
285.30273	1.2
292.98795	2.5
302.06567	1.7
319.60031	1.2
321.24173	16.1
326.82480	1.2
339.08511	5.5
339.12381	3.2
339.15875	46.7
339.25229	33.7
340.16309	6.4
340.25549	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	339.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.3
55.01814	1.4
55.05437	7.3
57.03358	3.4
57.06995	3.6
62.40393	0.7
62.98198	1.6
65.03886	1.8
67.05419	35.9
67.05814	3.5
69.06980	8.3
69.95399	2.9
71.04927	1.1
71.08580	1.1
79.05406	19.5
79.05896	1.5
81.07047	41.6
81.07498	2.3
82.07333	1.3
83.04918	1.0
83.08603	5.0
85.06461	2.1
87.93800	0.7
91.05474	11.3
93.07034	28.5
94.07299	0.9
95.04879	2.4
95.08598	39.9
95.09153	2.2
96.08882	1.7
97.06452	2.0
97.10055	2.9
98.20811	0.9
99.08026	1.0
105.07013	11.5
107.08584	22.5
108.08808	1.1
109.06435	1.5
109.10146	24.5
111.07988	1.6
111.11623	1.3
113.09554	1.1
115.05363	0.8
117.07004	3.4
119.08578	10.5
121.02795	2.1
121.06391	0.9
121.10136	24.5
123.04419	5.1
123.11683	10.6
125.13219	0.8
127.11069	0.7
129.06894	2.6
131.08553	10.9
133.10121	10.7
135.07996	1.2
135.11687	18.0
136.11923	1.1
137.09547	0.7
137.13177	2.7
139.11115	1.7
143.08487	1.4
145.10120	10.6
147.11681	11.2
149.01340	0.9
149.02318	11.6
149.05885	3.1
149.12184	0.8
149.13249	12.9
150.02559	0.9
151.11067	1.9
157.06403	1.6
159.11690	10.4
161.13147	2.3
163.11128	1.3
163.14804	5.2
165.12708	0.9
165.61403	0.8
167.03400	1.8
167.04779	0.7
171.08136	0.8
173.13242	8.2
175.11098	1.2
175.14787	1.2
177.05334	0.9
185.05911	5.4
187.14745	2.4
193.04930	1.4
199.07382	1.2
201.16223	1.3
203.10689	1.7
211.01994	1.3
211.03880	16.8
212.04234	1.8
213.05453	24.4
214.05782	1.6
219.21037	3.1
227.06999	2.0
229.19493	19.4
230.19812	1.0
237.05431	1.6
241.04950	2.3
247.20546	57.9
248.20923	3.5
255.06473	1.3
265.04974	3.4
265.21677	2.5
283.05991	100.0
283.16800	8.5
284.06323	11.0
284.09180	1.3
301.43066	0.8
321.24182	4.5
321.27615	0.9
339.12296	81.2
339.19077	40.1
339.25363	17.8
339.28763	3.9
339.33914	0.7
340.12433	9.8
340.18958	3.6
346.47113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.23385	1.6
53.03941	3.9
55.05505	21.3
56.00079	1.4
56.96547	3.0
57.03424	6.0
57.07070	12.2
59.60598	1.7
61.02896	2.2
61.64220	1.5
65.03925	3.6
67.05498	77.1
68.99761	2.4
69.03428	2.9
69.07059	29.2
71.04982	2.5
71.08620	3.3
71.62960	2.6
72.08141	2.0
74.06091	1.8
75.04476	1.8
79.05488	40.9
81.03438	2.5
81.07050	100.0
83.04986	2.8
83.08604	18.0
85.02922	3.0
85.06538	8.0
91.05468	21.5
92.60581	1.7
93.07034	54.5
95.04963	4.6
95.08602	78.3
97.02897	1.8
97.06515	5.2
97.10143	10.2
98.97619	2.8
99.08087	2.7
104.61742	1.8
105.07022	21.9
107.08588	43.2
108.08933	2.1
109.06500	5.1
109.10149	50.3
111.08089	4.3
111.11709	4.7
116.98599	3.1
117.07018	8.6
119.08570	21.8
121.06513	5.2
121.09299	3.1
121.10133	41.7
121.76466	1.8
123.04425	20.7
123.08081	3.8
123.11700	20.2
125.09622	2.4
125.13264	2.3
127.07558	2.7
131.08557	17.6
133.10123	18.7
134.99641	3.9
135.08069	2.9
135.11662	30.8
136.11978	1.9
137.09616	3.0
137.13254	10.4
141.09146	2.0
143.08534	2.3
145.10112	21.3
147.08029	2.9
147.11662	20.9
149.05957	14.3
149.09605	3.6
149.13246	18.9
151.11209	2.6
151.14786	5.2
159.11671	17.1
161.05956	1.8
161.13261	7.5
163.14815	10.0
165.12738	2.7
173.13234	15.2
175.11200	5.4
175.14873	3.9
177.05457	2.8
177.12769	4.6
183.13780	2.7
187.14793	6.2
188.08270	2.6
191.14381	1.6
193.16006	2.0
203.10683	10.7
217.12207	4.2
219.17599	2.4
219.21130	6.3
229.19481	28.8
247.20555	79.8
248.20927	5.7
265.21609	4.1
274.97440	7.6
283.06039	4.0
283.16989	18.5
283.74188	1.9
285.25656	2.8
292.98587	3.7
303.26749	2.6
309.11310	2.5
321.24191	9.8
321.27835	12.7
324.06195	3.2
325.05905	3.6
339.08688	11.4
339.12112	3.9
339.15790	22.0
339.25320	15.1
339.29147	2.8
340.15997	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	339.2528
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03937	3.0
55.05509	14.7
55.74675	1.0
57.03435	6.4
57.07062	4.7
65.03929	2.4
67.05500	94.3
69.06720	1.1
69.07065	16.4
70.68331	1.4
70.68684	2.9
71.04987	2.8
71.08597	1.4
75.04476	2.2
77.03896	1.2
79.05488	43.0
81.03455	1.1
81.07051	95.8
83.04992	1.5
83.08605	9.6
85.06536	4.2
91.05470	22.2
93.07037	55.6
94.07349	1.4
95.04980	4.8
95.08599	86.0
95.53387	1.0
96.08935	2.2
97.06516	4.8
97.10173	5.8
98.97546	1.4
99.08083	4.2
105.07018	19.6
107.07850	2.1
107.08586	44.6
109.06519	2.1
109.10147	53.1
111.08076	2.5
111.11692	1.2
113.09586	1.8
115.05437	1.2
116.98598	1.1
117.06989	8.6
119.08566	18.3
121.06521	1.2
121.10133	40.6
123.04437	5.5
123.08001	1.4
123.11700	21.0
125.09641	1.6
131.08557	20.0
133.10124	17.8
135.11687	32.2
136.12001	2.0
137.09645	1.3
137.13235	5.0
139.11169	2.6
143.08537	1.3
145.10110	22.5
147.04399	2.1
147.11673	16.2
149.05962	3.8
149.09625	3.0
149.13248	22.3
151.11166	3.2
151.14844	1.2
159.11674	19.8
161.13242	5.0
163.11122	1.5
163.14798	7.9
165.12762	2.3
168.84245	1.0
169.10115	1.2
173.13245	16.2
175.11227	0.9
175.14815	1.7
177.05542	1.2
177.12819	2.1
187.14809	5.4
189.16496	1.6
191.14301	1.8
195.13756	1.1
201.16376	2.5
203.10727	2.6
207.06363	1.1
217.12155	1.7
219.21071	5.7
229.19484	37.5
240.07654	1.1
247.20560	100.0
248.20929	3.4
249.22032	1.3
250.60768	1.4
261.25967	1.2
265.21582	9.2
267.06479	1.7
274.97348	1.2
283.06015	2.5
283.16934	2.8
285.25870	1.2
292.98569	1.8
321.10895	1.3
321.24304	18.2
321.27869	4.1
324.06195	10.1
339.08652	20.3
339.12192	2.2
339.15393	4.8
339.25327	32.2
340.08841	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	339.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.01856	3.0
55.05507	38.2
57.03419	3.3
57.07058	3.0
59.34914	0.6
60.12761	0.7
61.02893	0.8
65.03931	1.5
67.05501	9.3
68.99789	6.9
69.03070	1.2
69.03426	14.4
69.07061	19.2
71.04969	3.0
71.61852	1.0
72.08133	1.3
73.06530	0.8
74.72378	0.6
77.03928	1.0
78.04706	0.9
79.05481	7.6
80.05823	0.7
81.03413	10.3
81.07050	28.8
83.04958	2.3
83.08612	5.0
85.02899	3.0
85.06554	4.5
87.08086	0.9
89.03918	5.5
91.05466	12.6
93.07034	13.3
95.04964	7.5
95.08597	31.2
97.02881	14.1
97.06521	3.3
97.10162	83.4
98.10489	1.8
99.04440	1.9
99.08054	1.7
101.06034	0.8
103.05466	4.7
105.03362	1.2
105.07026	8.4
107.04932	6.1
107.08578	9.0
109.02879	9.5
109.06483	3.7
109.10167	11.1
111.04433	2.5
111.08060	2.0
111.11707	1.9
115.05453	1.8
116.98608	0.9
117.03371	18.7
117.07005	2.1
119.04951	6.7
119.08572	8.7
121.02911	1.0
121.06496	9.5
121.10118	6.9
123.04417	64.0
123.08034	3.2
123.11694	6.4
124.04715	2.5
124.40128	0.7
125.06002	1.1
125.09621	15.2
127.03900	7.3
128.06212	3.2
129.06984	2.2
131.04912	2.2
131.08562	2.9
133.02824	1.0
133.06476	2.7
133.10117	4.8
134.03632	2.3
135.04410	4.3
135.08037	2.6
135.11676	4.7
137.02325	20.7
137.05946	6.7
137.09573	1.3
137.13231	2.8
138.02676	1.1
139.11159	3.1
141.06966	1.7
141.09077	1.2
142.07695	0.9
143.08589	6.3
143.10660	34.9
145.02832	43.3
145.06482	4.3
145.10098	4.8
146.03157	1.7
147.04396	17.2
147.08025	2.0
147.11678	4.7
148.04823	1.3
149.02364	1.3
149.05966	44.1
149.09676	1.6
149.13226	3.9
150.06328	2.5
151.07520	3.1
151.11177	2.0
151.14819	5.3
153.05446	1.7
153.09064	1.2
153.12733	1.0
155.08516	1.3
157.06435	1.5
157.10098	1.2
157.12173	1.3
158.07152	1.0
159.04338	0.8
159.07999	2.4
159.11678	2.7
160.05153	1.1
160.08800	1.4
161.06004	4.7
161.09514	1.4
161.13284	4.8
163.03862	3.5
163.07535	2.8
163.11124	2.2
163.14816	1.4
165.09064	1.4
165.12700	2.6
167.14328	2.4
169.10078	1.0
171.08037	2.7
171.10176	1.5
172.08780	1.0
173.05984	4.5
173.09543	1.8
173.13223	1.6
174.06686	1.4
175.03925	5.9
175.07536	5.4
175.11165	3.3
175.14764	1.8
176.08302	0.8
177.05455	100.0
177.12761	2.1
177.16527	0.8
178.05820	5.9
179.07019	1.1
179.10568	0.9
179.14273	4.0
183.08113	1.0
183.11652	0.8
185.09573	0.8
186.05466	2.3
187.07561	2.4
187.14795	2.0
188.08344	4.6
189.05484	2.6
189.09065	3.8
189.11192	8.0
189.16412	0.9
191.03368	1.8
191.06972	1.2
191.08554	1.0
191.10562	1.3
191.14297	1.4
193.08586	1.6
195.06567	1.2
195.13766	1.7
198.10374	0.8
201.05438	5.6
201.09171	1.4
201.12938	0.8
201.16350	1.7
202.09698	0.9
203.10649	21.6
204.11049	1.7
205.08553	1.6
205.15851	1.3
207.02908	1.0
207.06483	13.1
207.08096	0.8
211.14989	0.9
213.09016	1.3
215.10612	0.8
217.12175	7.4
219.02878	1.1
219.08118	1.8
221.06056	0.9
223.07481	1.2
229.04961	1.2
229.12236	2.4
235.07616	1.6
247.07402	1.8
248.08260	1.2
250.06050	0.9
251.06857	1.4
251.10722	2.1
257.22601	1.0
263.07013	1.0
264.07797	1.0
265.08615	2.0
267.06482	2.9
268.06964	1.2
269.08081	1.2
275.23764	2.2
277.21671	1.9
278.09229	1.4
279.06714	1.6
279.10132	5.0
283.05991	10.3
283.09198	1.5
284.06488	1.1
285.22073	1.4
293.07938	2.6
293.24756	1.3
295.05933	1.9
295.23047	0.9
296.06668	1.9
297.10944	0.9
303.23135	8.5
307.09595	2.2
309.11203	3.3
309.24088	0.9
311.09158	2.6
311.12646	2.6
315.96826	0.8
321.07288	2.7
321.10275	2.6
321.24207	34.9
322.24619	2.1
323.05463	1.3
324.06232	16.6
324.10001	1.4
325.06259	2.0
339.08591	61.5
339.12161	15.5
339.15900	24.7
339.21185	1.9
339.25003	13.2
340.08850	7.7
340.12454	2.4
340.16013	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	339.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05494	0.5
56.05043	0.3
56.96555	0.9
57.03426	0.4
58.06585	0.4
60.04514	0.4
64.24625	0.3
67.05478	0.4
68.05013	0.4
69.03410	1.0
69.07056	0.3
70.06580	1.7
71.04970	0.9
71.61051	0.4
71.61411	0.3
72.08151	2.0
79.05468	0.5
80.05025	0.3
81.03408	0.5
81.07038	0.7
82.06590	0.5
83.04977	0.6
84.04501	0.3
84.08138	1.8
85.02895	1.5
86.06052	0.6
86.09658	0.3
87.04456	0.4
88.07632	0.4
91.05495	0.4
93.07033	0.4
94.06546	0.8
96.08115	1.2
97.02882	0.9
97.06521	0.7
97.08965	0.3
98.06041	0.7
98.09675	0.7
98.97556	0.7
99.08069	0.4
100.07585	0.7
101.05997	1.1
101.65303	0.3
103.76777	0.3
105.07022	0.4
106.70802	0.3
107.07330	0.9
108.08103	0.6
109.02863	0.8
109.06480	0.6
110.07143	0.7
110.09614	0.4
112.07595	3.3
113.06010	0.6
114.09156	0.3
114.78824	0.3
115.07535	1.5
115.08690	0.4
116.98597	0.6
119.04913	0.3
119.08524	0.3
122.09656	4.3
123.08091	0.3
124.07550	0.3
127.03065	0.3
127.03898	1.2
128.07027	0.3
133.43465	0.2
134.09680	0.4
134.99617	0.3
136.07559	0.4
138.09081	1.0
140.10686	18.4
142.08603	1.3
144.10196	1.9
145.02876	0.6
146.09656	0.3
147.04370	1.0
148.04698	0.4
148.07555	0.4
156.10162	0.9
158.11765	2.0
160.11209	0.5
161.01114	0.3
162.09135	1.0
164.10718	0.4
169.82651	0.3
170.11775	0.5
171.12363	0.3
172.09683	0.8
174.12749	0.4
177.00603	0.4
177.05475	1.3
178.12268	1.8
190.12373	0.3
192.13770	3.7
194.11757	0.8
196.13235	1.8
201.00635	0.4
208.13303	0.6
210.14850	2.2
211.12466	0.3
223.14467	1.0
233.16612	0.4
237.02795	0.6
276.07391	0.4
277.19180	0.9
278.09283	0.4
279.10092	1.0
279.16946	0.6
280.20731	0.3
285.12427	0.4
289.19104	3.7
297.02621	0.3
303.13507	0.7
303.20764	0.4
307.20187	2.3
309.11102	0.8
319.20224	0.5
321.14462	0.5
321.17950	0.9
321.21686	1.8
322.12952	0.3
339.19611	3.6
339.22745	100.0
340.14487	0.5
340.23050	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	339.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42995	0.2
50.46505	0.2
55.01860	0.4
55.05495	0.7
56.96563	1.1
58.06596	0.3
61.67704	0.2
65.28366	0.2
66.47779	0.2
67.05492	0.4
68.05034	0.3
69.03413	0.6
70.06594	2.6
70.76241	0.5
70.76598	0.5
70.95053	0.2
71.04974	0.9
72.07799	0.3
72.08154	4.0
73.06541	0.5
74.06052	0.3
79.05502	0.4
81.03384	0.2
81.07029	0.7
82.06576	0.4
83.04974	0.6
83.06080	0.4
84.08130	1.7
84.96014	0.3
85.02905	1.1
86.06057	0.5
86.09682	0.5
87.00816	0.2
87.04479	0.3
87.25336	0.2
88.07613	0.6
89.10760	0.4
91.05449	0.5
93.07011	0.4
94.06542	0.9
95.08569	0.4
96.08126	0.5
97.02885	0.6
97.06541	0.6
98.06036	0.7
98.09655	0.6
98.97558	0.7
99.04421	0.3
99.08083	0.4
100.07609	0.5
101.06001	1.0
102.96259	0.2
105.06998	0.4
107.04938	0.5
107.07317	1.3
108.08117	0.8
109.02850	0.3
109.06451	0.6
109.72033	0.2
110.06010	0.3
110.07169	2.1
110.09647	0.5
111.04444	0.2
112.07594	2.8
112.54523	0.2
113.06013	0.6
114.09132	0.4
115.07576	1.3
115.08696	0.5
116.98612	0.7
117.07031	0.2
119.04966	0.3
120.08109	0.5
122.09676	4.1
123.04376	0.4
127.03889	0.7
128.10796	0.3
129.10240	0.3
130.06522	0.5
130.08614	0.3
132.06825	0.3
132.08026	0.2
134.09653	0.4
134.99649	0.9
136.07573	0.3
137.05885	0.3
138.09114	0.7
140.10695	16.4
142.08636	1.8
144.10214	1.2
145.02858	0.2
146.05997	0.5
146.09651	0.3
147.04402	1.3
148.07599	0.5
148.11180	0.4
151.03929	0.3
152.06956	0.3
154.08517	0.2
154.12379	0.2
155.11768	0.7
156.10205	1.2
157.07664	0.5
158.11763	2.5
159.09154	0.3
160.07489	0.3
160.11220	0.6
162.09096	0.8
164.10597	0.4
166.12248	0.2
172.09685	0.8
174.12714	0.3
175.08636	0.3
176.10706	0.5
177.05481	1.0
178.12257	2.0
192.13835	2.8
194.11748	1.0
196.13283	1.6
207.03314	0.6
208.13327	0.7
210.14891	1.6
211.02797	0.4
218.11839	0.3
221.10765	0.2
223.14409	1.1
225.04324	0.8
228.57062	0.3
237.02788	0.5
253.03793	0.3
255.01805	0.8
258.11081	0.3
267.12259	0.3
271.05005	0.5
271.18045	0.3
273.02734	0.7
276.12088	0.2
277.16205	0.3
277.19110	0.9
279.17044	0.3
289.19107	3.6
294.13455	0.7
297.02921	0.5
303.13449	0.4
303.20798	0.4
307.20111	2.7
315.03867	0.4
319.20218	0.6
321.14407	0.3
321.18021	0.6
321.21701	1.9
322.12766	1.7
339.19583	3.8
339.22769	100.0
340.13968	2.4
340.17578	0.2
340.19046	0.4
340.22995	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	339.1588
Annotation	Gancaonin Y
Peak:m/z	Relative Intensity
51.02374	0.2
53.03957	0.2
54.43576	0.2
55.01856	0.6
55.05493	0.5
57.07052	0.7
61.36907	0.2
67.05505	2.8
68.03432	0.2
68.99767	0.8
69.03408	0.4
69.07064	3.9
70.06583	0.3
70.74311	0.8
71.83725	0.2
77.86443	0.2
79.05487	0.8
81.03386	0.3
81.07056	1.9
83.08621	0.3
88.07588	0.3
91.05466	1.7
93.07033	0.9
95.04967	3.8
95.08593	0.7
98.20848	0.3
103.05450	0.4
105.07011	2.3
107.04960	0.5
107.08565	0.6
107.38780	0.2
109.06531	0.2
109.10152	0.3
111.04435	0.3
115.05441	0.7
116.98610	0.5
117.07008	1.5
119.04948	0.3
119.08559	0.5
121.06487	1.6
121.07246	0.2
123.04418	100.0
124.04756	1.4
128.06215	0.8
129.06941	0.4
130.07808	0.4
131.08528	0.3
133.06477	0.6
133.10165	0.3
134.99670	0.6
135.04404	0.9
135.08070	0.3
137.05952	1.1
137.09547	0.2
143.08545	1.7
145.02847	0.4
145.06473	1.0
145.10109	0.9
147.04401	3.6
147.08044	0.4
149.02347	0.4
149.05971	10.0
149.09634	0.3
157.10114	0.4
158.07246	0.4
159.08009	0.3
160.08791	0.3
161.05978	3.4
161.09438	0.2
161.13074	0.3
163.07590	0.3
167.07011	0.8
171.08054	0.9
172.08754	0.4
173.05971	3.0
173.09622	0.5
174.06883	0.3
175.07547	0.6
175.11163	2.1
177.05400	0.4
185.05962	0.3
185.09676	0.3
188.08348	1.7
189.09128	0.3
191.10635	0.2
193.04950	1.0
199.07516	0.3
203.08810	0.5
203.10646	6.2
204.11006	0.2
205.12206	4.9
217.12238	4.8
224.65627	0.4
229.12254	0.7
237.09103	0.4
255.06461	0.4
265.08441	0.4
269.08023	0.8
270.08865	1.0
271.09586	0.8
274.97583	0.4
283.06046	2.0
283.09613	9.5
284.09848	0.4
292.98688	0.5
294.67831	0.3
339.12399	1.8
339.15878	37.4
339.27335	3.2
339.34341	0.5
339.77731	0.8
340.16043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1588
Annotation	Gancaonin Y
Peak:m/z	Relative Intensity
55.01855	1.3
55.05497	1.6
57.03428	0.7
57.07076	4.5
59.05003	0.7
61.26144	0.5
65.03947	0.6
67.05502	4.1
68.05811	0.7
68.99780	6.6
69.07066	3.2
70.06571	1.6
71.08614	1.7
71.64308	0.9
79.05508	2.3
80.05824	0.6
81.07051	11.7
82.07413	1.0
83.08597	1.1
85.02911	0.5
86.95089	0.4
88.07618	2.8
91.05466	4.3
93.07011	3.5
95.04973	3.0
95.08587	1.4
96.08923	0.8
97.06531	0.9
97.10153	0.5
102.09179	1.2
103.05490	3.1
105.07013	4.3
107.04947	2.1
107.08609	0.9
109.06493	0.7
109.10116	1.1
109.54436	1.2
110.03651	0.5
111.04457	0.6
115.05457	1.6
116.98611	0.6
117.07011	2.1
119.08593	2.2
121.06492	11.5
121.10139	0.6
123.04417	64.0
124.04778	0.7
128.06218	5.4
129.01009	0.7
129.07022	2.3
130.07730	0.7
131.00729	0.8
131.04959	1.1
131.08586	0.9
131.55786	0.5
133.06491	2.6
133.10106	1.1
135.04419	1.2
135.08029	0.8
135.11667	0.6
137.05978	0.5
139.00586	0.7
142.07788	2.0
143.00740	1.0
143.08546	11.3
145.06476	3.6
145.10127	2.9
146.07224	0.7
147.04379	1.3
147.08014	1.6
149.02341	5.6
149.05969	57.5
149.09616	2.1
150.06308	0.7
152.06204	3.3
153.07005	2.9
154.07828	0.7
155.08589	1.0
157.06467	0.7
157.10133	1.9
158.07248	1.8
159.07994	1.7
159.11665	0.6
160.05220	0.9
160.08830	3.4
161.05969	4.7
161.09627	1.0
162.06796	0.5
163.07520	1.3
164.03949	0.7
169.10109	0.7
171.08051	5.6
172.08810	2.3
173.05971	3.3
173.09554	3.2
174.06737	1.9
175.07541	4.4
175.11171	13.5
176.08246	0.8
177.05457	1.3
181.05118	0.5
181.06459	2.6
185.09608	1.1
186.10420	1.0
187.03072	1.5
187.07549	2.1
188.03867	5.5
188.08310	13.1
189.02794	1.2
189.04265	0.9
189.09038	3.0
189.12762	1.0
190.03552	5.3
191.10677	0.7
193.03244	0.8
193.04955	12.6
195.91043	0.5
197.09508	0.6
199.07495	0.5
201.09117	1.1
201.12782	0.8
202.09862	1.0
203.10654	43.6
204.11012	0.8
209.03838	0.5
214.09862	0.8
217.02309	0.7
217.12228	20.9
218.12511	0.6
219.06525	1.4
224.65614	4.1
225.00471	5.8
225.15875	0.9
229.12248	3.7
230.24768	0.6
251.00208	0.7
252.00661	1.2
252.99934	84.5
254.00270	5.3
256.26196	2.9
262.10623	0.9
280.11795	1.1
283.06030	1.3
292.98300	0.7
293.03006	2.3
339.03702	17.8
339.15887	100.0
339.27643	34.1
339.77777	11.2
340.03986	2.2
340.16107	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	339.159
Annotation	Gancaonin Y
Peak:m/z	Relative Intensity
50.68742	0.6
53.03928	1.1
55.01866	2.5
55.05521	3.8
57.07066	1.5
59.04983	1.2
65.03916	1.5
67.05502	6.9
68.99786	9.3
69.03419	1.2
69.07059	4.8
70.97849	1.4
71.04948	1.2
71.55445	0.8
79.05492	6.1
81.07052	18.6
83.04973	2.0
83.08597	1.2
85.02858	1.2
88.26388	0.8
91.05470	7.1
93.07043	7.5
95.04965	5.9
95.08603	5.5
97.06512	0.8
97.10159	3.3
97.15919	0.9
98.97599	1.4
103.05457	4.4
105.07030	8.0
107.04922	3.5
107.08560	3.7
108.05263	0.7
109.06510	2.1
109.10149	3.5
115.05439	1.8
116.98604	2.1
117.07005	3.4
119.03215	0.8
119.04877	1.2
119.08599	5.3
120.08863	0.8
121.06499	13.8
121.10117	3.3
123.04423	80.5
123.08010	1.1
123.11606	1.4
124.04745	2.1
125.09605	3.1
128.06221	6.1
129.07001	3.1
130.07738	1.4
131.04901	1.1
131.08562	2.5
133.06480	3.0
133.10098	3.1
134.99664	1.5
135.04402	1.9
135.08049	1.3
135.11671	2.7
137.05884	0.9
137.09518	1.1
141.06967	1.6
142.07765	1.9
143.08545	14.9
145.06499	6.0
145.09143	0.8
145.10100	4.6
146.07253	1.1
147.04399	5.8
147.08044	1.8
147.11664	1.2
149.05972	71.5
149.09586	2.1
149.13217	1.0
150.06300	3.2
151.06488	1.3
157.06433	1.3
157.10091	3.2
158.07251	2.6
159.08037	3.3
159.11719	2.2
160.05197	1.7
160.08836	5.2
161.05969	5.1
161.09634	1.7
161.13321	1.1
163.07529	2.6
169.10094	1.8
171.08054	10.2
172.08781	3.2
173.05945	3.0
173.09648	4.9
173.13133	1.3
174.06699	3.2
174.10291	1.0
175.07616	5.2
175.11186	15.4
177.05481	1.2
177.12831	0.9
183.07922	0.9
183.78751	0.8
185.09595	2.2
185.13263	0.8
187.07512	2.6
188.08313	14.2
189.09032	3.5
189.12749	2.3
190.02536	1.1
191.10524	0.9
199.07452	1.4
201.09044	1.4
201.12758	1.2
202.09706	1.3
203.10681	47.8
203.12547	1.7
204.10985	1.2
204.13017	1.3
208.03714	0.8
214.09869	1.7
215.10629	1.0
217.12225	29.6
229.12242	5.6
244.79903	0.9
247.20534	1.8
256.96500	1.2
272.17230	1.0
274.97443	1.9
283.06015	4.0
289.17978	1.9
292.98523	2.7
303.23257	1.1
304.19702	1.4
305.20807	0.9
307.05884	1.1
307.18973	1.3
307.60608	0.8
321.11154	0.9
324.06302	3.1
339.08591	14.0
339.12427	5.7
339.15869	100.0
340.08859	1.0
340.16199	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	339.1587
Annotation	Gancaonin Y
Peak:m/z	Relative Intensity
53.03946	1.3
55.01860	2.2
55.05499	1.3
59.04993	1.1
65.03946	0.5
67.05495	4.7
68.99426	0.8
68.99786	13.8
69.00162	0.9
69.03419	3.1
69.07067	2.2
69.76533	2.9
71.04965	0.5
75.56426	0.4
79.05488	3.8
81.03407	2.2
81.07050	18.3
83.04965	0.9
83.08610	0.6
85.02882	0.8
85.06551	0.7
89.03915	1.2
91.05485	6.5
93.07033	6.2
95.04962	7.1
95.08587	2.9
97.02894	2.5
97.06527	0.5
97.10188	0.8
97.10802	0.4
98.21542	0.5
103.05456	7.3
105.07012	4.0
107.04942	3.6
107.08579	1.6
109.02876	2.1
109.06536	0.7
109.10147	2.0
111.04407	0.7
115.04026	0.4
115.05444	1.8
117.03388	4.2
117.07030	2.7
119.04931	1.5
119.08580	2.2
121.06493	20.5
121.10140	1.5
123.04416	100.0
123.11671	1.1
124.04716	1.0
125.05985	0.5
127.03907	1.9
128.06223	6.4
129.07011	2.4
130.07771	0.9
131.04916	2.4
131.08533	1.0
133.06474	1.7
133.10138	1.2
134.03590	0.4
134.56422	0.5
135.04372	1.8
135.08107	0.6
135.11667	1.0
137.02332	5.0
137.05945	1.6
141.06932	0.7
142.07751	1.3
143.08549	10.7
144.09213	0.5
145.02835	9.2
145.06496	3.5
145.10117	2.7
146.07263	0.6
147.04410	3.1
147.08052	1.5
147.11688	0.6
149.05968	80.3
150.06323	1.8
151.07533	2.1
154.07805	0.6
155.08556	0.6
157.06516	1.0
157.10152	1.7
158.07249	2.0
159.08060	2.9
159.11676	1.0
160.05212	1.6
160.08804	2.8
161.05981	4.0
161.09592	1.0
162.06685	0.8
163.03929	0.6
163.07596	2.2
167.07086	0.5
167.08488	0.5
168.47241	0.6
169.06453	0.6
169.10094	0.8
170.07130	0.5
170.60614	0.5
171.08047	6.1
172.08827	2.0
173.05997	2.8
173.09605	4.1
173.13420	0.5
174.06755	2.3
174.10379	0.7
175.03923	1.8
175.07535	8.1
175.11153	7.3
176.08267	0.8
177.05457	21.3
178.05772	1.2
181.06352	0.4
183.08035	1.2
185.06007	0.7
185.09596	1.9
186.10352	0.5
187.07516	2.3
188.08308	10.9
189.09114	4.2
189.12688	0.8
191.03470	0.7
191.10628	0.8
197.09627	1.5
199.07518	1.3
201.09056	3.5
201.12791	0.9
202.09846	1.1
203.10649	51.6
204.11018	1.7
205.12276	0.7
207.06425	2.2
214.09802	1.2
215.10625	2.2
217.05028	0.9
217.12231	15.1
223.07489	0.5
227.10594	0.7
229.08586	0.7
229.12265	4.9
236.08116	0.6
239.06972	0.8
267.06500	4.2
268.07147	0.7
279.06421	1.4
283.06091	0.6
293.08170	0.6
297.11139	2.3
303.10083	1.0
303.23062	1.0
305.07986	0.5
307.09409	0.8
311.12643	1.0
321.07492	1.1
321.11081	6.1
321.24155	0.6
324.06268	3.0
339.08582	7.8
339.12173	8.0
339.15854	55.4
339.24542	4.6
340.08875	0.8
340.16263	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	339.1587
Annotation	Gancaonin Y
Peak:m/z	Relative Intensity
53.24903	0.5
55.01864	1.4
55.17702	0.4
59.05001	0.5
64.18261	0.5
65.03937	0.9
67.05493	3.2
68.99779	13.6
69.07056	1.1
69.70684	3.7
79.05482	2.8
81.07043	15.2
91.05454	3.3
93.07048	4.9
95.04958	4.9
95.08619	0.9
98.20751	1.0
103.05458	6.9
104.05782	0.5
105.06997	3.2
107.04932	3.6
109.06485	0.6
115.05434	0.6
117.07003	1.9
119.08538	0.9
121.06490	19.2
123.04412	100.0
124.04762	1.0
128.06201	4.5
129.06975	1.9
130.07816	0.8
131.04910	1.9
131.08592	0.7
133.06490	1.9
133.10092	0.7
135.04413	0.6
135.08025	0.8
137.05959	1.2
141.06978	0.9
142.07771	1.0
143.08540	10.3
144.05690	0.8
144.09270	0.6
145.06499	2.7
145.10126	1.6
146.07249	0.9
147.04399	1.0
149.05962	81.9
149.09554	1.1
150.06374	0.6
151.07516	2.5
154.07669	0.8
157.06531	0.7
157.10138	1.4
158.07301	1.1
159.08034	1.7
160.05164	1.6
160.08830	2.0
161.05956	4.4
162.06717	0.6
163.07535	1.1
169.10054	0.7
170.07236	0.7
171.08060	6.3
172.08824	2.0
173.05952	2.7
173.09567	3.0
174.06734	2.7
174.10396	1.0
175.07521	5.9
175.11176	7.1
176.08315	0.7
177.05498	1.5
185.09602	1.1
187.07544	1.7
188.08301	10.1
189.09094	3.4
189.12747	0.9
191.10629	0.8
197.09540	1.1
198.10446	0.8
199.07614	0.9
201.09093	4.2
201.12814	0.9
202.09962	1.1
203.10641	55.3
204.10985	0.6
205.12201	0.6
211.11023	0.6
214.09805	0.9
215.10686	2.1
217.12225	14.2
229.12228	5.8
283.06079	0.9
297.11026	2.4
321.14841	0.6
339.15866	69.6
340.16306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1589
Annotation	2'-Methoxyphaseollinisoflavan
Peak:m/z	Relative Intensity
53.03940	0.9
55.01863	2.4
55.05502	2.1
56.37109	0.4
59.04990	1.7
65.03941	0.8
67.05501	4.8
68.99785	11.8
69.03425	6.6
69.07062	2.8
69.77228	0.4
71.04984	0.7
71.62488	0.7
72.08152	0.6
74.89049	0.4
79.05485	4.2
79.47396	0.4
81.03431	3.5
81.07050	18.5
83.04989	0.6
83.08607	0.7
85.02880	1.4
85.06536	1.2
89.03909	1.8
91.05473	8.0
91.20646	0.5
93.07049	4.7
95.04960	5.8
95.08617	2.7
97.02887	4.6
97.06528	1.5
97.10146	0.5
99.04439	1.0
99.08060	0.6
103.05470	5.7
105.07015	4.5
106.21243	0.5
107.04958	4.2
107.08601	2.8
108.75586	0.5
109.02885	3.7
109.06529	1.0
109.10147	1.9
111.04464	0.5
111.08076	1.0
113.06086	0.5
115.05438	1.6
117.03373	8.5
117.07036	2.0
119.04948	3.5
119.08576	2.6
121.02840	1.1
121.06498	16.3
121.10134	2.3
123.04419	100.0
123.11694	1.2
124.04749	1.0
125.06012	0.7
125.09621	0.6
127.03892	4.1
128.06201	4.2
129.07001	2.8
130.07819	0.6
131.04887	2.5
131.08572	1.9
133.02789	0.6
133.06514	2.3
133.10135	1.2
134.03630	1.4
135.04436	2.8
135.08044	1.0
135.11653	1.2
137.05978	2.0
139.03905	0.6
141.06964	0.8
142.07724	0.9
143.08554	9.4
144.05722	0.7
144.09390	0.4
145.02835	24.6
145.06491	3.3
145.10129	2.3
146.07275	0.5
147.03236	0.8
147.04405	15.6
147.08057	1.9
147.11760	1.0
148.05183	0.8
149.05972	70.6
149.09633	1.4
150.06364	1.0
151.07527	2.0
151.11089	0.6
153.06979	0.7
154.07782	0.6
155.08539	0.7
157.06467	1.2
157.10133	1.1
158.07277	1.4
159.08067	1.8
159.11681	0.9
160.05197	1.7
160.08821	2.3
161.05959	4.7
161.09656	1.1
162.06747	1.1
163.03909	1.5
163.07497	3.1
165.05510	1.5
165.07016	0.6
167.08530	0.6
169.06360	0.6
169.10078	0.8
171.04370	0.7
171.08018	5.1
172.08836	2.1
173.05962	2.7
173.09595	2.9
174.06752	2.1
175.03909	3.0
175.07549	7.7
175.11198	7.0
175.14743	0.6
176.08279	1.2
177.05461	49.9
178.05815	1.5
179.06999	0.7
181.06480	0.6
183.08064	1.1
185.06003	1.4
185.09593	1.0
186.05472	0.7
187.07568	3.0
187.11136	0.5
188.08331	9.0
189.05452	0.7
189.07431	0.6
189.09065	3.3
189.12735	1.0
191.07080	0.8
191.10660	0.8
193.04922	0.5
193.08647	0.6
195.06474	0.5
197.09717	0.6
198.10373	0.8
199.07513	1.8
201.09171	3.4
202.09818	1.0
203.10657	47.4
204.10953	0.9
205.06673	0.7
205.08604	1.6
205.12193	1.0
207.06494	4.6
207.08179	0.8
211.03822	0.6
213.05513	0.8
214.09938	1.3
215.10657	1.8
217.08803	0.7
217.12222	13.3
219.02858	1.1
219.08139	0.7
223.07477	0.7
227.07190	0.6
227.10681	0.5
229.08586	2.0
229.12181	4.8
232.08643	0.6
235.07516	1.1
236.08328	0.5
239.07080	1.1
247.07475	0.8
251.07156	0.8
255.06635	0.9
255.09961	0.5
264.07788	1.0
265.08563	0.8
267.06525	4.6
269.07993	1.0
271.06073	0.6
277.08728	0.7
279.10178	0.7
281.08023	1.3
282.08554	0.5
283.06113	4.6
283.09256	1.0
284.06488	0.5
289.08432	0.6
293.04877	0.5
293.08118	0.7
293.11807	0.5
295.06290	0.7
295.09552	1.1
296.06839	0.6
296.10242	1.1
297.08109	0.6
297.11240	3.5
303.10251	3.2
303.23251	0.8
305.08044	1.4
306.08798	1.4
307.09500	1.5
311.09186	1.2
311.12778	1.9
321.07538	1.6
321.11194	12.4
321.24203	1.3
322.11212	0.6
324.06284	5.2
324.09695	0.9
339.08600	12.9
339.12140	22.0
339.15924	53.3
340.08829	0.9
340.12515	2.1
340.16446	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	339.1589
Annotation	Gancaonin Y
Peak:m/z	Relative Intensity
53.03936	0.6
55.01875	1.3
55.05493	2.6
57.03427	1.5
57.07052	1.3
59.04984	1.4
61.96964	0.5
64.32764	0.6
65.03938	1.2
67.05499	15.7
68.99789	5.9
69.07067	3.2
70.06211	2.3
70.06615	1.4
76.57538	0.5
79.05485	7.2
81.06569	1.1
81.07053	20.7
83.04967	0.5
83.08614	1.6
85.06548	0.9
86.24663	0.6
91.05468	5.2
93.07028	10.2
95.04977	3.2
95.08595	13.1
97.06511	1.0
97.10138	0.8
98.97636	0.9
103.05478	3.3
105.07026	5.5
107.04942	1.9
107.08589	6.3
109.06409	0.8
109.10147	7.0
111.08028	0.8
113.90816	0.5
115.05427	1.2
117.07013	2.8
119.08573	4.7
119.90141	0.6
121.06487	10.8
121.10138	8.1
123.04418	59.4
123.11685	2.8
124.04736	1.1
128.06201	4.6
129.06973	2.3
130.07788	1.2
131.04918	1.0
131.08549	3.5
133.06503	2.7
133.10098	3.0
135.04434	1.3
135.08083	0.7
135.11711	4.5
137.05867	0.9
137.13240	1.0
142.07806	1.2
143.08554	12.4
144.09288	0.6
145.06499	3.9
145.10115	4.5
146.07224	1.1
147.04408	2.5
147.11671	3.3
149.05971	55.8
149.09590	1.8
149.13268	3.4
150.06277	0.9
154.07738	1.0
157.06435	0.7
157.10051	1.1
158.07234	1.4
159.08012	1.5
159.11717	2.7
160.05225	1.4
160.08806	3.9
161.05965	3.1
161.09656	1.3
161.13277	1.1
162.06677	0.8
163.07533	1.5
163.14798	0.9
169.10185	0.7
171.08022	6.0
172.08826	2.2
173.05939	2.1
173.09630	2.8
173.13214	2.4
174.06734	1.9
175.07565	4.9
175.11179	13.1
175.14711	0.5
177.05487	0.9
185.09679	1.1
186.10310	0.6
187.07568	1.2
187.14827	0.9
188.08318	12.7
189.09062	2.2
189.12692	0.7
201.12634	0.6
201.16231	0.7
202.09831	1.3
203.10648	42.5
205.12386	0.7
217.12224	22.5
219.06465	1.1
229.12230	4.7
229.19518	5.7
247.20547	14.3
265.21704	0.7
274.97574	1.3
279.10107	0.7
283.05902	1.2
283.16925	4.2
292.98734	0.8
321.24258	2.5
339.15894	100.0
339.24924	5.4
340.12283	0.7
340.16101	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	339.1587
Annotation	Gancaonin Y
Peak:m/z	Relative Intensity
51.02382	0.4
55.01866	0.9
55.34376	0.3
57.76577	0.3
59.04975	0.3
60.96399	0.3
67.05502	2.2
68.21728	0.3
68.99786	6.6
69.07059	1.7
70.06072	1.3
70.06497	0.7
74.38795	0.3
79.05486	1.9
81.03434	0.4
81.07054	8.0
85.02891	0.5
85.18561	0.3
88.77245	0.3
91.05485	2.6
93.07037	2.9
95.04973	3.5
95.08586	0.5
97.02872	0.5
102.53835	0.3
103.05464	3.2
105.07043	3.0
107.04941	2.1
107.08572	0.3
108.24327	0.3
109.06541	0.4
115.05427	1.2
116.06195	0.3
117.07006	2.6
119.04960	0.4
119.08543	1.6
121.06496	10.4
123.04417	58.5
124.04752	0.5
128.06218	6.2
129.06973	1.5
130.07748	0.8
130.23570	0.3
131.04913	1.3
131.08588	0.7
132.09337	0.4
133.06474	2.7
135.04410	1.4
135.08034	0.9
137.05959	0.6
141.06970	0.8
142.07780	1.5
143.08543	12.2
144.05690	0.5
144.09311	0.4
145.06483	3.2
145.10129	2.8
146.07217	0.6
147.04379	1.0
147.08043	1.0
147.11729	0.4
149.05969	57.6
149.09573	2.0
150.06313	0.5
153.07021	0.5
154.07751	0.8
155.05991	0.4
155.08545	0.5
157.06444	0.7
157.10100	1.5
158.07260	1.9
159.08069	1.5
160.05185	1.3
160.08820	4.0
161.05960	4.2
161.09573	0.6
162.06697	0.7
163.07584	1.0
169.10081	0.6
170.07298	0.4
171.08032	6.1
172.08830	2.3
173.05971	2.6
173.09625	3.0
174.06779	2.2
174.10373	0.7
175.03847	0.5
175.07590	4.5
175.11171	14.6
176.08298	0.4
177.05472	0.6
185.06038	0.4
185.09557	1.4
186.10307	0.7
187.07539	1.4
188.08302	12.6
189.09064	1.8
189.12685	0.7
191.03389	0.7
197.09676	0.6
198.10321	0.4
199.07512	0.9
201.09055	0.5
201.12741	0.7
202.09891	1.9
203.10651	44.8
204.11069	0.6
207.06473	0.3
208.03705	0.5
214.09827	0.9
217.12225	24.0
218.07137	0.3
218.12589	0.5
229.12242	4.8
231.69707	0.3
254.57996	0.3
267.06500	0.9
268.07132	0.4
323.05399	0.4
324.06207	4.1
339.08630	9.8
339.15878	100.0
340.08868	0.7
340.16254	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	339.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14557	0.4
53.00297	0.8
53.03937	0.5
55.01873	0.4
55.05507	3.0
57.07063	1.5
58.37215	0.4
59.69455	0.3
63.34859	0.3
64.37316	0.4
67.01867	0.5
67.05504	4.4
68.99785	3.0
69.03407	0.4
69.07061	62.9
69.92421	0.7
69.92831	1.9
70.07391	0.6
71.08617	0.7
78.36451	0.3
79.01851	4.6
79.05483	1.6
81.03423	0.5
81.06570	0.6
81.07049	10.5
81.07515	0.8
83.04943	0.5
83.08605	3.3
85.06530	1.2
91.05471	2.7
93.07039	2.7
95.04963	1.7
95.08601	7.3
97.06554	0.6
97.10154	2.8
98.97591	0.7
103.05472	1.7
105.07027	1.7
107.04882	0.6
107.08565	2.0
109.06496	0.7
109.09434	0.6
109.10146	4.9
111.00763	0.4
111.08124	0.5
111.11703	1.1
115.05428	0.6
116.98663	0.5
117.06994	0.5
119.04908	0.9
119.08543	1.8
121.06474	3.7
121.10126	1.6
123.04415	20.2
123.08089	0.6
123.11683	2.2
125.13284	0.4
127.07568	0.4
128.06216	1.6
129.07019	0.8
131.04872	2.5
131.08556	1.3
133.06464	0.7
133.10133	1.2
135.04373	0.5
135.11693	1.2
137.13229	1.5
141.06935	0.8
142.07715	0.4
143.08540	4.0
145.02832	1.2
145.06470	1.3
145.10136	1.1
147.04378	2.8
147.08022	0.7
147.11667	1.5
149.02376	2.6
149.05966	15.5
149.09598	0.9
149.13237	1.3
150.06345	0.5
151.11205	0.6
151.14799	0.4
152.06151	0.5
153.00677	0.8
153.01813	7.5
153.06970	0.7
157.02892	0.5
157.06483	0.7
157.10150	0.4
158.07257	0.6
159.04407	0.7
159.08043	0.9
160.08810	1.0
161.05978	1.0
161.13211	1.0
163.07507	0.9
165.01926	0.3
165.05542	0.4
165.12773	0.7
167.08562	0.6
169.06474	0.8
171.04396	0.9
171.08006	2.2
172.08821	0.7
173.06006	1.2
173.09586	1.1
174.06746	0.8
175.07584	2.3
175.11182	4.0
177.05496	1.0
177.12695	0.4
179.14320	0.5
181.06497	1.3
181.12314	0.6
185.05978	1.3
187.07477	1.0
188.08324	3.3
189.09109	0.6
197.05978	0.9
199.07500	4.2
203.10654	13.4
205.08606	0.5
209.05850	0.5
213.05495	1.6
215.07045	4.2
217.12224	6.3
227.06973	2.2
229.12215	1.4
237.05447	0.9
243.06625	2.3
253.04884	1.1
255.06503	11.2
256.06824	0.5
259.05972	2.2
269.08115	2.0
271.05988	65.7
272.06293	2.9
283.05984	100.0
283.16818	1.1
284.06381	3.3
285.25647	0.6
297.07449	0.7
301.07245	0.5
303.26776	1.3
321.07483	0.6
321.11108	0.7
321.27890	1.8
324.05927	0.7
339.08868	3.5
339.12183	68.4
339.15942	26.6
339.26663	0.7
340.12500	2.7
340.16113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1222
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03944	0.7
55.01875	1.1
55.05495	1.3
57.07076	0.6
59.04995	8.9
61.02918	0.7
65.03919	1.1
67.05501	4.7
68.99780	3.0
69.03431	2.8
69.07067	2.0
69.83109	2.4
69.85764	0.5
77.03912	0.6
79.05477	1.7
81.03407	2.3
81.07051	4.0
83.08611	1.7
85.02897	1.5
85.06524	0.8
88.92944	0.4
89.03905	1.4
91.05463	4.6
93.07026	2.1
95.04970	4.8
95.08598	4.2
97.02882	4.7
97.06532	0.9
103.05461	1.1
105.07027	1.6
107.04955	3.4
107.08584	2.4
109.02873	1.6
109.06531	1.0
109.10140	2.4
115.05466	0.6
117.03342	3.6
117.06992	0.8
119.04947	3.2
119.08563	1.6
121.02873	0.5
121.06469	2.3
121.10127	1.2
123.04415	100.0
123.11658	1.0
124.04733	1.8
127.03900	1.9
128.06212	0.6
129.06976	1.0
131.04900	1.2
131.08556	1.4
133.06482	1.4
133.10100	0.7
134.03528	0.6
135.04396	4.2
135.08032	1.4
135.11681	0.9
137.02280	1.2
137.05910	2.7
141.01857	0.9
141.06981	0.6
141.48778	0.4
142.43217	0.4
143.08560	0.9
144.05640	0.7
145.02835	9.3
145.06526	1.1
145.10139	1.1
147.04401	34.9
147.08026	0.8
147.11595	1.1
148.05064	0.9
149.02339	1.0
149.05971	7.6
149.13205	1.0
151.07573	0.8
157.06458	0.7
159.04430	0.7
159.08054	3.3
159.11678	0.9
161.05968	5.3
163.03920	2.4
163.07527	63.6
164.07890	2.0
165.05446	0.6
170.70946	0.5
171.04404	3.6
171.07994	0.9
173.05949	0.7
173.13254	0.7
174.06726	0.5
175.03870	2.8
175.07484	2.9
175.11212	0.8
177.05447	21.2
177.92548	0.4
178.05843	0.6
179.07042	0.7
181.06482	0.5
185.05971	0.8
187.07516	9.3
187.09154	0.8
188.08295	2.0
189.05399	1.4
189.09048	0.8
191.03348	0.8
191.06982	0.8
193.08627	1.3
195.07967	0.5
199.07536	5.7
201.09113	1.5
203.07112	1.1
203.10574	3.8
204.42766	0.5
205.08586	14.2
206.09056	0.5
207.06493	4.2
208.03728	0.7
211.04010	0.7
211.07544	1.0
213.05487	1.3
213.09029	0.5
217.08569	1.3
217.12238	1.3
223.07497	0.6
227.06963	0.6
227.10768	0.6
229.08685	2.5
229.67596	0.6
235.07469	0.6
236.08302	0.7
239.06895	1.1
247.07593	0.6
251.07091	0.7
251.10738	1.1
253.04781	0.6
255.06355	0.9
255.09911	0.6
256.07358	1.2
267.06561	1.0
268.07205	1.1
269.08038	2.3
269.11722	1.2
279.10205	1.3
281.08038	4.2
282.08688	0.9
283.05984	10.4
295.09473	3.3
296.07126	0.6
296.10291	3.6
297.07986	0.8
297.11182	23.4
298.11594	1.1
307.09521	0.8
311.12833	1.6
321.11353	4.6
324.02707	0.7
324.05923	2.5
339.05038	1.1
339.08527	8.7
339.12183	32.5
339.16003	5.2
340.08786	0.8
340.12549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1225
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
51.02348	0.2
53.03936	0.7
55.01866	0.8
55.05494	0.9
56.96597	0.3
57.03401	0.4
59.04985	0.3
65.03921	0.8
67.05499	4.0
68.99777	0.9
69.03425	4.9
69.07043	0.9
71.04980	0.4
71.21799	0.7
72.08127	0.5
74.55062	0.3
79.05465	1.1
81.03412	2.2
81.07048	2.9
83.04964	0.5
85.02884	0.5
85.06531	0.6
89.03931	1.6
91.05472	2.2
93.07034	1.5
95.04965	5.9
95.08578	2.2
97.02882	3.7
97.06509	0.7
97.10133	0.9
99.04416	0.3
103.05421	0.3
105.07010	1.4
107.04962	1.4
107.08572	1.3
109.02862	1.9
109.06515	0.6
109.10140	1.1
111.04410	0.5
111.08083	0.4
117.03371	6.6
117.06990	0.4
119.04937	1.6
119.08568	0.9
121.02877	0.5
121.06467	0.9
121.10139	1.2
123.04414	100.0
123.11703	0.8
124.04701	1.7
125.09508	0.3
127.03894	2.4
129.06970	0.3
131.04878	0.3
131.08528	0.8
133.06464	0.4
133.10164	0.4
134.03618	0.3
135.04402	1.6
135.08086	0.5
135.11662	0.6
137.02289	0.9
137.05997	0.8
141.05130	0.2
143.08591	0.7
145.02829	16.7
145.06506	0.5
145.10086	0.4
146.03235	0.3
147.04382	10.3
147.07986	0.4
147.11606	0.6
149.05968	4.3
149.09596	0.7
149.13281	0.7
151.07619	0.4
153.05363	0.3
155.08585	0.5
159.08046	0.6
159.11691	0.5
161.05957	0.9
161.13234	0.5
163.03850	1.8
163.07512	1.6
171.04431	0.4
171.08035	0.3
172.18993	0.3
173.05899	0.4
173.09613	0.4
175.03911	2.1
175.07585	0.7
177.05453	35.4
177.08957	0.9
177.41585	0.3
178.05795	1.0
186.05438	0.7
186.06914	0.4
187.07559	1.1
188.08282	0.4
191.06946	0.5
195.06549	0.8
199.07518	0.6
201.09047	1.4
203.06967	0.4
203.10611	1.7
205.08577	7.7
207.06483	3.4
211.07538	0.8
215.06938	0.3
217.08578	0.3
217.12149	0.3
218.07237	0.3
229.08560	1.3
239.06891	0.3
247.07594	0.4
249.05519	0.3
249.09412	0.3
251.10635	0.6
255.06404	0.4
256.07318	0.8
263.06723	0.4
264.07797	0.4
267.06387	0.6
269.08047	1.2
278.09445	0.3
279.10236	0.3
281.08084	0.6
283.06033	0.4
297.07690	0.4
297.11038	0.5
297.70197	0.3
303.23138	0.7
304.38196	0.3
306.09039	0.3
307.09589	0.4
309.10907	0.4
311.09494	0.3
311.12656	1.4
312.36264	0.3
321.10278	1.3
321.24091	0.6
324.06195	0.6
339.08557	3.3
339.12231	21.2
339.15875	1.3
339.25546	0.5
340.08936	0.5
340.12665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1224
Annotation	Crotalarin
Peak:m/z	Relative Intensity
55.01840	0.3
59.31595	0.1
59.64558	0.1
62.06025	0.4
65.19299	0.1
67.05448	0.2
68.99747	0.3
69.07021	0.2
69.68704	0.9
81.06993	0.4
91.05402	0.4
93.07020	0.2
94.39830	0.1
95.04903	0.2
95.08517	0.2
98.21463	0.3
109.10110	0.2
119.04928	0.8
119.08487	0.2
121.02862	2.9
121.06457	0.2
121.10050	0.2
123.00768	0.2
123.04414	1.7
128.06161	0.1
137.02338	0.9
141.01805	1.9
143.08530	0.2
145.06395	0.2
149.05956	1.3
153.06900	0.1
155.03326	0.2
160.08794	0.2
165.01819	4.8
171.07974	0.4
175.11084	0.2
177.05421	0.2
181.06442	0.3
183.02875	3.3
188.08279	0.3
199.07442	0.4
203.10611	0.8
209.05829	0.3
213.05315	0.2
217.12242	0.3
227.06969	0.4
229.04889	0.4
237.05405	0.2
255.06461	1.2
265.04831	0.3
278.73492	0.1
283.05978	100.0
284.06320	3.8
321.25958	0.3
339.12259	8.8
339.15955	1.1
339.26944	0.2
340.12488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	(-)-Glyceollin II
Peak:m/z	Relative Intensity
53.00309	0.8
53.03934	0.4
54.12689	0.4
55.01871	0.9
55.05513	3.7
57.07063	1.9
67.01856	0.5
67.05505	4.4
68.21388	0.4
68.99782	3.7
69.07065	61.8
69.53651	4.0
70.07403	0.9
71.08630	0.8
78.05693	0.5
79.01850	5.8
79.05489	1.8
81.07053	12.6
83.04987	0.5
83.08623	2.8
85.06543	1.5
91.05467	3.5
93.07055	2.9
95.04969	2.1
95.08602	8.5
97.06519	0.7
97.10156	2.4
98.20726	0.6
98.50358	0.4
101.04577	0.4
101.05997	0.5
103.05452	2.3
105.07050	2.9
107.04969	1.1
107.08610	2.5
109.02859	0.4
109.06496	0.6
109.10146	4.8
109.10713	0.4
111.11728	2.0
115.05489	0.5
115.07538	0.5
117.06971	0.7
119.04943	0.8
119.08567	2.0
121.02843	0.6
121.06509	4.2
121.10179	2.2
123.04425	25.0
123.08068	0.8
123.11701	2.1
127.07600	0.6
128.06233	2.2
128.76570	0.4
129.07005	0.9
131.04935	2.5
131.08583	1.2
133.06520	0.7
133.10124	1.6
135.04413	0.8
135.08112	0.6
135.11687	1.9
137.05911	0.5
137.13258	1.4
141.06967	0.7
142.07767	0.5
143.08542	4.3
145.02826	1.5
145.06461	2.6
145.10114	1.6
147.04384	2.7
147.08000	0.6
147.11670	1.3
149.02354	2.5
149.05971	20.0
149.09633	1.0
149.13248	1.2
151.11209	0.6
151.14848	0.8
153.01813	8.0
153.06982	1.1
157.02872	1.0
157.06458	1.1
158.07245	0.9
159.04312	0.6
159.08070	0.6
160.08838	1.0
161.05974	1.4
161.09616	0.5
161.13258	1.0
163.07552	1.6
163.11163	0.5
163.14880	0.7
165.12723	1.0
165.16319	0.5
169.06416	0.8
171.04446	0.9
171.08083	2.7
172.08836	0.8
173.05971	1.6
173.09575	1.2
173.13136	0.5
174.06801	0.8
175.07491	2.2
175.11180	4.7
175.14880	0.8
177.05466	1.2
177.12897	0.5
179.14270	0.5
179.25116	0.4
181.06499	1.0
181.12296	0.5
185.05966	1.2
187.07599	1.4
188.08287	4.6
189.09076	0.5
189.16310	0.8
193.15761	0.6
197.05959	0.9
199.07561	3.7
201.09073	0.8
202.09749	0.5
203.10660	15.0
209.06029	0.5
209.15440	0.4
213.05374	1.3
215.07051	3.5
217.12225	7.1
220.30531	0.5
227.06956	2.6
229.12195	1.3
237.05347	0.6
241.05096	0.6
243.06537	2.2
251.56033	0.4
253.05014	1.4
255.06509	12.8
256.07077	0.5
259.06064	3.0
269.07959	2.7
271.05997	69.0
272.06281	2.3
274.97488	0.8
283.05997	100.0
283.16730	1.1
284.06296	4.3
297.07532	0.6
301.07187	0.5
303.26785	1.4
321.07388	0.6
321.11084	0.8
321.27890	2.5
324.05682	0.5
339.08817	3.7
339.12198	69.4
339.15958	29.6
340.12540	3.4
340.16226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1226
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
50.61734	0.5
55.01863	2.2
55.05504	1.5
57.07057	2.4
59.04980	0.6
65.03931	1.0
67.05505	5.0
68.35718	0.6
68.99793	2.7
69.03412	1.3
69.07069	5.6
71.62147	0.9
79.05470	1.7
81.03426	1.6
81.07047	5.1
83.08620	0.7
85.02930	0.7
91.05470	4.2
93.07072	3.2
95.04958	5.8
95.08607	2.5
97.02880	1.1
98.97590	0.7
103.05465	1.1
103.37658	0.5
105.07032	3.2
107.04948	5.8
107.08592	2.3
109.02834	0.7
109.10168	1.7
111.04417	3.6
116.98659	0.9
117.03382	0.8
117.07007	1.6
119.04942	2.4
119.08590	4.6
121.06511	3.6
121.10124	3.9
123.04424	100.0
123.11697	0.8
124.04774	1.6
127.03952	0.7
128.06224	1.3
129.07005	1.8
130.07756	1.1
131.04877	1.2
131.08592	1.4
133.06490	0.7
133.10066	1.7
134.99686	0.9
135.04398	6.1
135.08089	0.7
135.11688	0.7
137.05983	2.5
139.03900	8.1
141.07001	0.8
143.08533	2.9
144.05687	0.6
145.02843	2.4
145.06491	1.4
145.10114	1.8
147.04407	8.6
147.08063	2.6
147.11667	2.8
148.04787	0.5
149.05977	13.3
149.09581	0.7
155.08551	3.7
157.06523	0.9
158.07260	1.4
159.04375	0.8
159.08054	2.5
160.05215	1.4
160.08829	0.7
161.05963	5.3
161.09602	0.9
163.03902	5.1
163.07536	2.5
171.08086	1.8
173.05995	1.8
173.09561	3.2
175.03857	0.7
175.07495	4.0
175.11182	4.9
177.05464	4.3
177.09070	6.1
183.08057	3.1
185.05978	1.1
185.09615	0.7
186.06703	1.6
187.03951	1.2
187.07527	1.8
188.08357	1.9
189.09088	1.1
199.07503	0.9
201.09106	10.3
202.09642	0.7
203.07019	6.0
203.08601	0.7
203.08992	0.9
203.10648	8.3
205.08638	1.3
205.12248	5.7
207.06522	0.8
211.07524	3.0
213.05597	1.1
214.06200	0.8
215.07016	2.6
217.08656	0.6
217.12279	5.1
229.08585	8.7
229.12155	1.2
235.49817	0.5
237.09105	0.7
251.07094	1.2
256.07129	0.7
269.07993	1.6
270.08771	1.1
274.97549	0.8
277.08731	1.2
279.06976	0.6
283.06070	1.4
283.16928	10.3
292.98611	1.2
293.11630	1.3
297.11255	0.8
301.19220	0.6
305.07996	1.5
306.08878	2.7
311.12808	3.7
321.07611	1.1
321.11154	11.9
322.11530	1.2
324.06296	2.7
339.08603	6.9
339.12253	74.0
339.16013	24.0
339.22504	3.7
340.08905	1.0
340.12640	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	339.1228
Annotation	Erythrivarone A
Peak:m/z	Relative Intensity
54.93504	0.3
55.05509	1.3
56.74086	0.3
57.07075	0.6
61.92022	0.3
65.03939	0.7
65.20026	0.3
67.05487	2.6
68.99811	0.5
69.03423	1.0
69.07063	2.0
71.04985	0.7
71.62559	0.6
79.05484	1.4
81.03416	0.8
81.07058	4.6
83.08621	1.1
85.06550	0.7
86.29903	0.3
89.03930	0.6
91.05489	1.6
93.07051	2.1
95.01337	0.5
95.04963	1.4
95.08613	3.1
97.02884	1.3
97.06535	0.4
97.10181	0.7
99.63807	0.3
105.03401	0.4
105.07047	1.3
107.04945	0.8
107.08594	1.4
109.02879	1.1
109.06521	0.9
109.10175	2.0
111.11739	0.5
117.03393	1.1
119.04941	0.5
119.08566	1.0
121.02851	1.0
121.06524	0.6
121.10167	1.0
123.04425	20.2
123.08081	0.4
123.11719	1.4
127.03913	0.8
128.06219	0.9
129.07005	0.6
131.08588	0.7
133.10144	0.5
134.03548	0.4
135.04413	0.6
135.11710	1.1
137.05930	0.6
137.13274	1.0
139.03877	0.4
141.06993	0.5
143.08507	0.7
145.02864	1.3
145.10126	0.4
147.04404	2.8
147.11647	0.6
149.02342	2.5
149.05980	2.7
149.13278	0.4
151.03908	0.4
152.06181	0.7
153.06973	2.9
155.04907	1.4
159.11665	0.7
161.02350	0.8
161.05965	0.6
163.03967	0.6
163.07578	0.4
165.05479	0.5
165.06938	0.3
167.03418	0.9
171.04364	0.5
171.08046	0.6
175.03903	0.7
175.07579	0.6
175.11261	0.3
177.05464	2.6
181.06464	4.1
183.04503	0.8
185.05939	0.6
185.13274	0.5
187.07547	0.8
191.08560	0.4
199.07574	1.3
201.05504	0.7
203.06891	0.4
203.10641	1.6
205.08607	2.0
207.06488	1.7
209.06010	2.8
211.03902	5.2
212.04373	0.4
213.05511	0.8
217.08661	0.5
217.12221	0.9
219.03014	0.5
219.06522	0.5
227.07056	2.2
237.05452	5.6
255.06552	2.1
265.04959	4.4
267.06488	0.6
283.06000	100.0
284.06381	4.6
295.06006	0.8
296.06702	0.5
297.04404	0.3
297.07471	2.2
307.09442	0.5
321.07434	2.5
321.28046	0.6
324.06232	3.3
339.08597	9.3
339.12247	71.8
339.15778	2.7
339.26529	0.8
340.08847	0.4
340.12460	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	339.1224
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
51.02351	0.4
52.33698	0.4
53.03951	0.9
55.01862	1.0
55.05501	1.6
57.03436	0.6
57.07067	0.6
59.04999	7.4
61.02912	0.7
62.06080	0.6
65.03928	1.1
67.05506	5.2
68.99778	3.4
69.03438	3.7
69.07069	4.6
71.04973	0.6
71.62392	0.3
79.05498	2.2
81.03412	2.9
81.07050	6.4
83.04980	0.5
83.08607	0.9
85.02902	2.0
85.06539	1.0
89.03917	1.4
91.05476	5.0
93.07034	3.1
95.01304	0.5
95.04964	5.9
95.08600	5.0
95.39085	0.4
97.02887	4.1
97.06530	1.1
97.10149	0.9
98.92109	0.4
99.04420	0.6
103.05473	1.1
105.07036	2.6
105.46412	0.4
106.04166	0.5
107.04951	2.6
107.08586	2.1
109.02867	3.1
109.06504	1.2
109.10158	2.4
111.04468	0.6
111.08085	0.4
111.11698	0.8
115.05453	1.0
116.98540	0.4
117.03376	6.3
117.07018	1.3
119.04913	2.5
119.08588	1.9
120.24946	0.4
121.06512	2.8
121.10134	1.7
123.04423	100.0
123.11684	1.5
124.04757	2.0
125.02367	0.4
127.03889	2.2
128.06213	1.2
129.06998	0.6
131.04965	1.0
131.08582	1.5
132.05681	0.6
133.06499	1.1
133.10158	1.1
134.03622	1.0
135.04404	4.0
135.08029	1.7
135.11729	1.2
137.02354	0.9
137.05978	3.9
137.13264	0.8
141.01814	1.5
143.08540	1.9
145.02840	14.5
145.06488	0.9
145.10107	1.5
146.03246	0.5
147.04402	27.9
147.08047	0.7
147.11662	1.0
148.05099	0.9
149.02394	0.8
149.05968	12.2
149.13231	0.6
151.03882	0.5
151.07503	0.7
159.04399	0.6
159.08015	2.2
159.11682	1.0
161.05946	3.8
161.09578	0.6
161.13271	1.0
163.03973	2.6
163.07535	47.9
164.07895	1.3
165.05518	1.0
165.06941	0.5
167.07042	0.6
169.10129	0.4
171.04391	3.0
171.08057	1.3
173.06029	0.9
173.09552	0.6
173.13310	0.5
174.06836	0.5
175.03900	2.8
175.07527	3.1
175.11165	0.9
175.14795	0.9
177.05463	33.9
178.05859	1.4
179.07083	0.9
179.14220	0.5
181.06500	0.4
183.08011	0.5
185.05936	0.8
186.05527	0.9
187.07538	8.3
188.08218	1.9
189.05450	1.1
189.09103	1.0
191.03307	0.5
191.06992	0.8
193.08542	1.3
195.06487	0.8
199.07539	5.1
201.09132	1.2
203.07092	0.8
203.10667	5.5
205.08594	10.7
205.12155	2.1
206.08937	0.6
207.06444	3.3
207.08047	0.4
211.03854	0.9
211.07523	0.7
213.05472	1.2
213.09248	0.5
217.08658	0.8
217.12238	1.4
219.02881	0.9
219.06459	0.6
229.08675	2.7
229.12224	1.2
239.07027	0.9
247.07494	0.7
251.07004	0.7
251.10706	1.2
253.08459	0.5
255.06505	0.8
256.07266	0.9
263.07080	0.6
264.07971	0.6
267.06497	1.5
268.07376	0.9
269.08118	2.0
269.11826	0.8
270.08786	0.4
279.10126	1.2
281.08057	2.8
282.08762	1.0
283.05981	7.9
295.06494	0.5
295.09662	2.0
296.07065	0.8
296.10471	2.5
297.07736	1.2
297.11188	17.0
298.11435	0.8
303.23343	1.1
307.09521	0.7
309.11267	0.4
311.09161	0.7
311.12656	1.6
321.11002	3.3
321.22562	0.5
321.27878	0.8
324.06271	4.8
325.06570	0.5
339.08554	13.4
339.12228	29.6
339.16013	9.8
339.25104	1.6
339.30475	0.6
340.09079	1.0
340.12680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1219
Annotation	Erythrivarone A
Peak:m/z	Relative Intensity
50.76593	0.6
54.51008	0.6
55.01864	0.9
55.05502	1.8
57.07066	1.2
58.76088	0.6
61.02922	1.1
65.03933	1.7
67.05511	2.5
68.99762	1.3
69.03429	1.2
69.07061	2.3
69.92402	0.6
71.04980	0.7
71.62481	1.0
72.08167	0.9
74.95763	0.6
79.05488	2.7
79.06654	0.6
81.03423	1.3
81.07045	3.6
83.05038	0.7
83.08607	1.2
85.02916	1.1
91.05476	2.0
93.03414	1.3
93.07046	2.2
95.01334	1.1
95.04962	1.8
95.08609	5.1
97.02883	2.4
97.28130	0.6
103.05442	0.6
105.07034	2.1
107.04983	1.1
107.08594	1.7
109.02895	2.1
109.06545	0.7
109.10157	3.3
111.11650	0.8
115.05433	1.1
119.04888	1.3
119.08556	1.4
121.02871	2.1
121.06507	1.6
121.10123	1.6
123.04424	18.0
123.08089	0.7
123.11670	1.0
125.05988	1.0
127.03905	1.0
128.06207	1.6
129.06982	2.5
131.08553	0.9
133.10165	0.9
134.03651	0.7
135.04430	1.1
135.11739	1.4
137.13268	0.8
141.01878	1.0
143.08553	2.6
145.02815	1.8
145.06497	1.0
145.10104	1.1
147.04430	2.5
147.11717	1.1
149.02339	11.1
149.05971	8.2
151.03908	0.7
155.08464	0.8
157.06439	2.0
161.02362	1.7
161.05972	1.2
163.03883	0.7
165.05540	1.2
167.03410	5.1
171.08037	1.1
173.05923	1.1
173.13266	1.0
175.03929	1.1
175.07542	0.8
177.05476	4.7
181.06436	1.5
185.05952	4.3
188.08316	1.1
197.06068	0.9
199.07567	1.0
203.10612	4.3
205.08623	0.8
207.06491	1.6
211.03896	15.2
212.04684	0.8
213.05472	24.4
214.06116	0.8
217.12317	1.7
219.02867	1.4
227.07091	2.5
237.05522	1.8
241.04938	2.1
255.06558	1.6
265.04993	3.5
267.06467	1.4
269.11850	0.8
271.05908	0.8
283.06009	100.0
284.06409	5.3
297.11334	0.7
324.06192	5.6
325.06668	1.2
339.08597	12.4
339.12247	98.4
339.15906	6.0
339.23126	2.1
340.08994	1.0
340.12595	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	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98056	0.5
53.03938	1.3
55.01856	2.0
55.05504	2.5
57.03425	0.7
57.07072	0.7
61.02934	0.9
61.31715	0.6
63.15310	0.6
65.03931	2.4
67.05502	3.9
68.99790	1.6
69.03426	8.1
69.07067	3.6
71.04984	1.1
71.62843	1.0
72.08135	1.5
75.22681	0.6
77.03935	0.8
79.05474	2.8
81.03413	7.4
81.07046	8.3
83.04979	1.9
83.08627	1.1
85.02895	3.6
85.06553	1.3
89.03916	3.7
91.05473	24.1
92.05777	0.6
93.07036	4.8
95.04953	4.1
95.08605	5.5
97.02885	100.0
97.10190	1.4
98.03229	1.3
98.43908	0.5
99.04435	1.8
103.05476	1.0
104.19911	0.6
105.03385	0.9
105.07034	3.5
107.04953	1.9
107.08584	4.2
109.02870	7.4
109.06512	3.0
109.10165	3.8
111.04414	1.2
111.08067	1.3
115.05459	0.8
117.03374	11.5
117.07002	1.6
119.04936	30.2
119.07755	0.5
119.08536	2.7
120.05299	0.6
121.02908	1.1
121.06513	0.8
121.10119	3.0
123.04416	6.5
123.08100	1.3
123.11704	1.5
125.02380	0.6
125.05981	1.0
125.09613	0.6
125.41039	0.6
127.03932	4.3
128.06140	0.6
129.06964	1.1
131.04959	0.7
131.08575	0.9
132.02080	1.4
133.02846	0.7
133.06454	0.9
133.10130	2.7
134.03625	1.3
135.04420	2.4
135.07970	0.6
135.11705	2.3
136.05147	0.6
137.05995	2.3
139.11208	1.0
143.08603	0.9
145.02832	31.4
145.06493	0.8
145.10172	0.8
146.03265	1.0
147.04399	31.0
147.11693	1.4
148.04802	1.1
149.02354	2.4
149.05984	6.2
149.09637	0.8
149.13322	0.8
151.07579	1.0
151.11124	1.1
153.05446	0.8
155.04970	0.7
155.07092	0.7
157.03970	2.0
159.08052	1.4
159.11668	1.1
161.05983	1.2
161.09634	0.8
163.03889	1.7
164.04684	1.0
165.01849	0.6
167.03413	2.6
167.07050	0.6
169.06555	0.6
173.06030	0.7
175.03899	43.5
175.14807	0.7
176.04416	1.0
177.01978	2.3
177.05460	61.8
177.12708	0.6
177.56273	0.6
178.05850	1.3
179.07024	2.9
181.05045	0.8
183.02628	0.8
186.05458	1.4
187.07480	0.6
189.07074	0.6
189.12784	0.7
191.03419	1.3
191.06969	0.9
191.08539	0.9
195.06522	1.7
201.05354	1.2
203.10637	1.1
207.06512	77.7
208.06914	3.0
211.07465	0.8
215.07088	0.9
218.07318	0.8
219.03000	1.4
219.06438	16.5
221.05887	1.4
229.08649	1.3
234.06949	0.6
235.07602	1.4
236.08228	1.1
237.07419	1.0
247.07561	1.6
248.08098	0.6
249.09215	0.7
251.07011	0.7
251.10672	2.1
261.09189	0.6
263.06964	0.9
264.07742	1.7
267.06552	1.2
269.08188	0.9
275.09329	2.9
278.09531	1.0
279.10065	2.0
280.07031	0.7
281.08057	1.1
293.07944	0.8
303.08698	1.8
303.20001	0.6
303.23248	1.7
307.09741	3.4
311.09552	0.6
311.12585	3.5
321.09839	6.9
321.24167	2.2
324.06107	4.4
324.09381	0.7
339.08545	9.5
339.12015	19.4
340.12509	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.086
Annotation	CHEMBL1801784
Peak:m/z	Relative Intensity
51.82592	0.1
53.03933	0.2
53.76626	0.1
55.01857	0.3
55.05504	0.6
62.65208	0.1
63.98674	0.1
65.03917	0.3
67.05502	0.8
68.99784	0.5
69.03416	0.9
69.07050	0.3
70.96049	0.2
70.96375	0.2
78.04697	0.3
79.05482	0.5
80.12970	0.1
81.07056	0.9
83.04963	0.1
83.08591	0.2
83.64191	0.1
85.06524	0.1
89.03904	0.4
91.05477	2.1
93.03390	0.2
93.07035	0.4
95.04953	0.8
95.08604	0.6
97.02877	0.7
97.10149	0.2
101.51382	0.1
103.05459	0.3
105.03381	0.5
105.07032	0.4
106.04137	0.4
107.04941	0.6
107.08561	0.3
109.02869	0.7
109.06489	0.1
109.10152	0.4
111.04427	0.2
115.05428	0.2
117.03387	0.8
117.07012	0.1
118.04137	0.1
119.04931	1.5
119.08584	0.2
121.02850	0.4
121.06506	0.5
121.10123	0.3
122.03653	0.1
123.04422	3.1
123.08073	0.1
123.11720	0.3
125.05988	0.1
127.03930	0.3
128.06152	0.1
131.04910	0.2
131.08543	0.2
133.02815	0.4
133.06483	0.3
133.10123	0.2
134.03598	1.1
135.04431	0.5
135.11671	0.2
137.02339	0.2
137.05959	0.6
137.13300	0.1
141.05481	0.2
141.06961	0.2
143.08549	0.4
145.02840	1.9
145.06419	0.2
145.10098	0.3
147.04411	1.5
147.11636	0.2
149.02353	0.2
149.05969	2.0
149.13278	0.2
151.03833	0.5
151.07617	0.1
152.04739	0.1
152.06114	0.1
153.06929	0.2
155.08557	0.3
159.04346	0.3
159.08058	0.2
161.05994	0.4
161.09604	0.1
162.03030	0.1
163.03893	0.5
163.07526	0.4
165.05467	0.9
165.07014	0.6
166.07805	0.2
167.08508	0.3
169.06485	0.2
171.07993	0.2
173.02312	0.3
173.05923	0.1
173.09642	0.2
174.02995	0.1
174.06833	0.1
175.03917	0.9
175.07581	0.1
175.11198	0.3
177.01859	0.6
177.05464	3.5
177.07011	0.2
178.02527	0.2
179.03429	0.3
179.08627	0.2
180.04073	0.2
181.04971	0.1
181.06488	0.3
183.06593	0.2
183.08058	0.6
184.08803	0.1
185.06097	0.1
187.03934	0.2
188.08289	0.2
189.01851	0.3
189.05531	0.1
189.09077	0.2
191.03403	1.3
191.08583	0.1
193.04939	0.3
193.06517	0.3
194.07277	0.3
195.08075	0.4
197.05978	0.3
199.07509	0.2
203.03473	0.2
203.07190	0.2
203.10646	1.3
205.06660	0.2
205.08571	0.3
207.02908	0.3
207.06477	0.8
208.03455	0.2
209.04434	1.1
209.06126	0.1
209.09596	0.1
211.07527	1.1
212.08281	0.5
213.05563	0.1
215.10608	0.1
217.04922	0.2
217.12245	0.5
219.02870	0.2
221.04344	1.8
221.06093	0.3
222.06749	0.3
223.07567	0.6
225.05467	0.3
226.06235	0.2
229.04851	0.1
229.12314	0.1
235.07686	0.1
237.09068	0.4
239.07022	2.4
240.07864	0.7
241.08600	0.2
247.07367	0.1
249.05458	0.3
250.06277	0.4
251.07065	0.7
253.04912	0.4
255.10129	0.1
256.03537	0.1
265.08710	0.2
267.06509	4.5
268.07242	1.1
269.07999	0.4
270.05295	0.1
277.04990	0.6
278.05716	0.4
279.06601	0.7
280.07095	0.1
281.04361	0.4
283.06018	0.4
283.09634	1.0
293.08047	0.3
295.05997	8.0
296.06726	2.8
297.07553	0.5
297.10867	0.1
303.09274	0.1
305.04654	0.2
305.07935	0.1
306.05209	0.5
307.05991	0.7
311.09134	1.7
321.07388	1.4
322.08258	0.3
323.05484	3.1
324.06256	25.6
325.06583	0.5
339.08600	100.0
340.08917	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	339.0859
Annotation	Milletenin B
Peak:m/z	Relative Intensity
51.02371	0.2
53.03931	0.4
55.01885	0.7
55.05495	0.4
63.02365	0.1
65.03918	0.7
67.05499	1.1
68.99769	1.4
69.03422	0.9
69.07046	0.4
71.04984	0.2
71.62887	0.3
72.08149	0.3
77.03918	0.3
79.05051	0.2
79.05482	2.8
81.03410	2.1
81.07051	0.8
82.85744	0.1
83.04977	0.3
83.83967	0.1
85.02887	0.2
85.06516	0.3
89.03909	0.3
91.05477	2.4
93.03396	0.5
93.07027	0.6
95.04963	9.3
95.08582	0.6
97.02885	0.8
102.08360	0.2
105.03379	0.5
105.07014	0.7
107.01343	0.2
107.04953	3.8
107.08556	0.4
108.05270	0.1
109.02873	6.0
109.06487	0.2
109.10125	0.5
111.04433	0.3
111.08042	0.2
115.05448	0.2
117.03362	0.6
117.06958	0.3
119.04930	4.6
119.08566	0.5
121.02862	3.5
121.06490	0.6
121.10120	0.5
123.04418	5.1
123.05309	0.3
123.11699	0.2
127.03915	1.1
131.08592	0.2
133.02747	0.2
133.06525	0.2
133.10147	0.3
135.04411	6.6
135.11659	0.3
137.05910	0.2
137.13203	0.2
145.02853	1.1
145.06523	0.2
147.04396	12.4
147.11671	0.2
147.92694	0.1
148.04730	0.2
149.02347	1.2
149.05945	0.2
151.03889	2.1
151.11169	0.2
163.03894	18.2
163.11003	0.1
163.34267	0.1
164.04211	0.3
167.03391	0.5
167.07031	0.2
173.02335	0.3
175.00153	0.2
175.03906	1.0
177.01819	2.3
177.05443	2.2
181.04971	1.3
181.08562	0.2
189.05478	0.5
191.03378	47.5
192.03793	0.8
193.01234	0.3
195.02895	5.8
205.04984	0.2
207.06503	1.6
209.02541	0.3
209.04433	3.7
211.07538	0.2
217.04973	0.2
219.02869	100.0
220.03185	1.5
233.04500	0.3
237.03925	6.8
239.07225	0.2
241.08502	0.1
245.04462	0.5
250.32455	0.1
257.04626	0.2
261.03851	0.8
267.14301	0.2
269.08069	0.6
279.10220	0.2
293.08179	0.3
297.07571	3.0
303.23285	0.2
307.09573	0.3
311.09073	0.6
311.12689	0.2
321.24066	0.3
324.06265	0.7
339.08600	30.1
340.09073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01860	2.8
55.05506	6.9
56.96549	1.2
57.03433	1.4
57.07055	1.9
62.06083	100.0
66.46592	0.7
67.05499	21.8
68.05815	0.9
68.99773	1.3
69.03392	1.0
69.07063	5.6
69.67356	3.9
69.67762	1.5
71.04983	0.9
71.08625	14.2
72.08125	0.8
72.87831	0.8
79.05486	14.1
81.03407	1.6
81.07050	19.8
83.04966	2.7
83.08595	3.5
85.06523	2.0
90.55476	0.7
91.05478	9.5
93.07031	14.7
95.04979	3.8
95.08601	12.4
96.08898	1.0
97.06497	3.3
97.10171	1.9
98.06050	2.8
98.20786	1.6
99.08077	10.6
105.07021	6.9
107.04926	2.4
107.08575	8.2
109.06494	1.9
109.10141	8.4
117.06985	2.1
119.08561	6.8
121.06510	1.6
121.10110	6.1
122.10497	0.9
123.04416	11.4
123.11674	2.6
124.11204	2.3
125.09618	1.2
129.07036	0.9
131.08553	3.3
133.10097	5.1
135.08054	1.3
135.11688	4.7
137.09561	0.8
139.03899	1.7
139.64186	0.9
143.08545	2.3
145.02818	0.9
145.10114	3.1
147.04364	2.8
147.11687	2.3
149.05959	5.8
149.13187	1.8
151.11166	2.9
154.94180	1.1
159.08051	1.3
159.11681	1.6
161.09621	1.2
161.13216	4.6
163.03894	1.4
163.07562	1.5
163.11214	1.2
163.14845	1.0
165.12779	1.1
171.07947	1.3
171.11752	1.0
172.95222	2.8
173.06042	1.0
175.07549	1.1
175.11119	1.1
175.14836	0.9
177.05458	1.2
177.12764	1.0
179.14267	4.5
185.13242	1.2
187.07445	1.1
188.08313	1.1
189.05452	1.3
189.09106	2.2
190.96309	1.6
195.96925	0.8
196.13330	7.8
198.14931	0.8
199.07506	14.6
203.10649	3.1
208.20839	0.7
214.09834	3.4
214.14415	10.3
216.15955	2.1
217.12294	2.0
222.18521	10.9
228.97694	1.1
240.19550	18.0
241.19548	2.4
254.21069	0.8
259.20575	3.2
267.06537	2.0
274.97540	1.6
277.21509	5.0
283.05963	3.9
292.98499	1.6
295.06024	0.8
296.06686	1.4
316.99536	0.9
320.25812	75.8
321.11176	2.3
321.23798	2.2
321.26520	1.5
324.06339	5.9
338.07501	1.5
338.10977	8.6
338.26868	34.8
339.04697	1.8
339.08554	14.3
339.12238	9.3
339.15918	6.2
339.27222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05501	4.3
57.03437	6.3
57.07061	0.7
58.06598	0.7
61.02893	0.6
62.06086	100.0
63.06415	0.7
65.03937	0.8
67.05504	11.4
69.07065	4.8
70.01001	3.6
71.04989	0.7
73.02905	0.6
79.05490	8.9
81.07051	11.4
82.07384	0.8
83.04986	0.9
83.08617	2.6
85.06540	2.1
91.05473	7.5
91.45660	0.7
92.05840	0.6
93.07039	12.6
95.04972	1.8
95.08598	10.7
97.06528	1.3
97.10140	0.8
98.06056	2.3
99.08095	2.3
105.07027	7.2
105.07687	0.9
107.04932	0.9
107.08585	7.8
109.06531	1.1
109.10165	4.6
111.08067	1.1
117.07016	3.1
119.08581	5.7
121.06486	0.6
121.10138	6.3
123.04413	6.0
123.08078	1.2
123.11729	1.6
125.09650	0.6
129.07036	1.2
131.08549	4.7
133.10126	5.7
135.11691	4.9
137.13284	0.7
143.08563	1.6
145.10115	3.8
147.11688	3.3
149.05983	2.9
149.09593	0.8
149.13278	2.5
151.11133	0.9
157.10178	1.0
159.11705	3.7
161.13258	2.8
163.14844	1.1
171.11737	1.1
173.13271	1.7
175.11244	0.7
175.14839	1.9
177.12753	1.0
185.13341	0.8
187.14803	2.2
199.14719	0.7
203.10696	2.2
205.15947	1.0
217.12256	1.2
221.19090	0.7
241.19505	1.5
248.20116	0.6
259.20676	3.1
264.23138	5.6
266.21387	0.9
268.07004	1.6
274.18896	0.8
275.20062	1.0
277.21558	3.6
280.22620	1.5
282.24268	6.9
283.06015	2.2
284.06387	5.0
296.06384	1.8
302.24866	1.2
302.38437	0.7
308.06390	1.3
309.07019	1.8
310.11569	0.8
320.09958	1.3
320.25830	52.3
321.24304	2.7
321.26373	0.9
322.07828	1.3
323.08517	1.3
338.07623	0.9
338.10995	22.7
338.26883	25.4
339.08582	1.7
339.11823	2.4
339.15305	3.9
339.27066	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
55.05503	19.9
57.03428	3.4
57.07071	8.9
59.04985	2.9
65.03943	2.2
67.05502	33.4
68.70849	1.6
69.03424	9.0
69.07063	33.5
70.06612	1.5
71.04974	4.2
71.08614	1.8
71.62561	2.6
72.08144	3.2
73.02879	1.5
74.70183	1.4
79.05484	22.9
81.03424	3.3
81.07050	100.0
82.07415	1.7
83.04969	8.7
83.08607	16.1
85.02885	4.1
85.06544	25.6
91.05468	20.4
93.07038	39.7
95.04949	9.9
95.08598	82.1
96.08904	2.5
97.02892	3.9
97.06554	8.9
97.10164	7.2
99.04453	3.2
99.08101	8.2
101.05999	2.4
102.45721	1.5
105.07011	24.9
107.04970	3.2
107.08589	40.3
108.08963	2.8
109.02863	5.7
109.06510	10.1
109.10143	50.0
110.10480	2.8
110.62534	1.5
111.07372	1.6
111.08092	6.7
111.11725	4.6
113.09612	2.2
115.05413	2.0
115.07593	3.0
117.07027	5.4
119.04905	2.8
119.08569	27.1
121.02888	2.7
121.06521	4.9
121.10139	31.4
123.04418	13.6
123.08036	7.7
123.11702	29.8
125.05949	1.9
125.09614	3.8
125.13321	2.3
127.03909	1.8
127.07561	9.1
128.06210	2.0
129.06981	2.5
131.04929	3.1
131.08557	9.0
133.06482	2.6
133.10115	22.6
135.08046	5.8
135.11676	26.1
137.05954	3.2
137.09625	6.1
137.13237	11.9
139.07497	2.4
139.11206	2.5
141.09099	3.1
142.07765	2.2
143.08569	6.7
145.10095	15.5
147.04388	6.0
147.08040	1.7
147.11647	15.8
149.09579	5.2
149.13240	18.9
151.11174	7.8
151.14790	2.9
153.09125	2.6
153.12759	2.8
155.08571	2.3
155.10669	3.8
157.06548	2.0
157.10109	7.9
159.11682	12.1
161.06012	2.6
161.09622	3.5
161.13237	8.5
163.03879	1.9
163.11194	5.8
163.14796	10.2
165.09143	2.5
165.12738	4.3
167.10687	4.9
171.11670	5.5
173.05949	3.0
173.13254	7.9
175.11200	6.5
175.14751	9.4
176.03381	3.2
177.12772	4.3
177.16418	8.2
179.14212	1.9
179.17984	2.5
181.12236	6.8
185.13222	4.5
186.76300	2.1
187.14786	5.3
189.12750	3.6
189.16443	3.0
191.07117	2.0
191.14337	3.0
191.18013	2.8
193.12267	2.9
193.15894	3.2
195.13826	5.8
199.07671	2.8
199.14839	5.8
201.16415	4.2
203.06902	2.0
203.10664	1.7
203.14348	2.6
203.17874	2.3
205.15845	3.2
205.19522	6.8
207.13786	2.9
209.15378	4.9
211.07381	2.0
213.16365	3.4
215.06989	3.5
217.06168	3.5
217.15948	3.1
219.17351	3.4
221.15341	2.6
223.16895	2.2
223.20528	3.6
227.17976	1.9
235.07478	2.0
235.16902	2.5
237.18423	4.0
245.18971	2.1
249.18417	2.7
251.06851	1.8
259.24252	1.7
263.20047	3.8
267.06555	1.9
277.08612	3.9
279.06375	2.7
281.08090	3.1
283.06107	3.3
283.24252	4.9
290.01370	1.5
294.05386	2.1
294.08804	1.7
295.06036	3.1
301.21582	5.5
301.25269	12.7
305.08105	2.6
307.05917	2.4
308.06650	1.7
309.07608	7.5
309.11035	3.4
317.09656	2.1
319.22861	2.9
319.26300	35.7
320.26718	2.3
322.04532	2.4
322.08215	4.1
337.06970	35.7
337.10727	51.8
337.14322	3.7
337.19873	2.4
337.24014	2.0
337.27393	14.9
338.07312	3.9
338.11118	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	337.2734
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.31517	0.6
53.03944	1.5
55.01865	0.7
55.05507	24.4
55.73432	0.6
57.03434	17.4
57.07072	4.1
65.03931	1.0
67.05499	49.7
68.05832	1.0
69.07063	33.1
70.07383	0.6
70.54189	0.5
71.04984	1.4
71.08622	1.6
71.14478	0.8
71.14823	1.3
79.05491	13.1
81.07050	50.8
82.07356	1.0
83.04975	2.0
83.08617	16.0
85.06527	1.4
85.10154	0.8
91.05468	7.4
93.06470	0.9
93.07037	13.6
95.04963	1.3
95.08600	36.0
96.08922	1.1
97.06535	3.6
97.10165	7.9
99.08060	1.2
105.07028	7.4
107.08585	6.6
109.06471	1.0
109.10149	16.1
111.08054	1.5
111.11685	1.6
119.08575	6.2
121.10131	6.7
123.04401	1.3
123.08041	0.9
123.11698	6.9
125.09539	0.8
133.10129	6.3
135.11681	3.7
137.13229	2.2
139.11177	0.9
147.11708	3.1
149.13258	1.6
151.11237	0.7
161.13284	4.1
163.14812	1.2
165.16368	0.6
169.04327	0.5
170.07341	0.6
172.28394	0.6
175.14807	1.4
177.16234	0.7
183.92018	0.6
189.16263	1.2
196.86703	0.7
203.17839	0.7
228.50221	0.7
245.22618	1.3
263.23816	3.0
337.06845	0.7
337.10565	5.2
337.27341	100.0
338.27701	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	337.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03354	1.3
55.01863	2.7
55.05509	16.2
56.17392	1.6
56.96549	1.6
57.03430	1.5
57.07076	7.1
59.04984	2.2
65.03924	2.2
67.05499	36.2
69.03439	3.5
69.07060	35.5
69.07341	0.9
69.88118	8.8
71.04996	2.0
74.27077	1.5
78.78912	1.2
79.05482	18.7
79.30740	1.5
81.03413	2.7
81.07050	100.0
83.04975	2.9
83.08609	14.7
85.06538	31.5
91.05467	12.4
93.07036	39.0
95.04963	5.1
95.08599	86.4
96.08905	1.7
97.06525	4.8
97.10164	10.6
99.04430	1.5
99.08095	8.1
101.06018	2.3
105.07012	16.3
107.04930	1.9
107.08585	43.8
108.08954	1.8
109.02877	2.9
109.06516	8.1
109.10143	52.1
111.08035	2.1
111.11706	5.6
113.09660	2.7
115.07568	3.6
117.07030	3.4
119.04903	1.8
119.08577	15.6
120.08942	1.5
121.06497	3.9
121.10130	32.6
121.11007	2.1
123.04428	10.0
123.08069	6.1
123.11697	27.4
125.09628	5.1
127.07527	6.6
127.11182	2.6
131.08568	7.7
133.10132	14.8
135.08061	3.9
135.11676	27.2
137.06007	2.1
137.09575	4.2
137.13232	10.0
139.07581	2.6
139.11151	2.2
141.09134	2.8
142.07803	1.5
143.08543	3.9
145.10098	7.1
147.04411	4.3
147.07993	3.4
147.11674	13.1
149.06107	1.4
149.09619	2.2
149.13254	21.0
151.11168	5.5
151.14786	3.2
153.09129	2.7
153.12747	1.7
155.08443	1.4
155.10635	2.5
157.10089	2.7
159.11658	8.8
161.05978	2.2
161.13254	6.3
163.11156	3.7
163.14809	11.3
165.12776	4.9
165.16345	3.5
167.10725	2.3
171.11661	4.2
173.09653	1.6
173.13263	5.9
175.07474	2.7
175.14828	6.1
176.03421	4.0
177.12730	5.3
177.16356	6.6
179.10703	1.7
179.14311	1.5
179.17909	2.0
181.12224	3.7
185.13292	2.6
187.14854	3.2
189.05516	1.8
189.12785	1.9
189.16371	3.1
191.14268	2.7
191.17967	3.9
193.12265	3.4
195.13776	7.5
199.14748	3.4
201.16431	2.6
203.17938	3.7
204.71983	1.6
205.15846	3.1
205.19514	6.3
207.13707	2.3
209.15314	3.0
213.16336	4.3
217.15851	2.6
217.41649	1.4
219.17426	5.1
221.15401	2.6
223.16899	3.5
223.20549	2.0
226.38937	1.8
227.17996	2.2
230.71550	1.7
235.16917	2.5
237.18526	4.8
239.06955	1.6
245.18927	1.7
249.18518	3.6
263.20081	3.7
265.04919	1.7
267.06479	1.7
281.07974	1.7
283.06009	2.2
283.24255	8.0
291.27191	1.5
295.05975	4.1
297.95490	1.7
301.21625	2.1
301.25146	14.6
302.74521	1.7
307.05786	2.4
308.06897	1.7
309.07678	2.2
309.11099	1.9
319.09659	3.6
319.26303	45.5
320.26602	2.8
322.04742	6.0
322.08270	4.2
337.06940	24.8
337.10693	51.8
337.14346	4.9
337.27487	14.3
338.07324	3.3
338.11014	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	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01876	0.8
55.05509	22.6
56.77043	0.5
57.03436	13.0
57.07077	3.6
59.82671	0.5
65.03924	1.7
67.05500	54.1
68.05827	0.6
69.07064	26.1
69.65737	1.5
69.66157	2.4
70.07364	0.5
71.04978	1.4
71.08624	1.5
79.05487	13.1
79.05950	0.6
81.07052	51.0
82.07389	0.8
83.04959	1.6
83.08135	1.0
83.08615	15.2
85.06522	1.9
85.10181	0.6
91.04958	0.7
91.05479	8.0
93.07037	14.5
95.04948	1.3
95.08601	40.3
97.06547	3.7
97.10168	8.7
98.21500	0.7
99.08076	1.0
104.96980	0.5
105.07030	6.5
107.08591	7.7
109.10153	17.5
111.08059	1.7
111.11739	2.7
119.08576	5.1
121.10144	6.4
123.04437	2.6
123.08062	0.7
123.11700	8.0
125.09663	0.6
125.13260	0.5
129.05466	0.6
131.08574	0.8
133.10132	5.2
135.11676	3.5
137.09633	1.0
137.13213	2.9
139.11134	0.5
145.10095	0.6
147.11679	4.4
149.13252	2.5
151.11246	0.7
151.14824	1.1
153.12737	0.8
161.13243	2.5
162.25432	0.6
163.14830	2.8
165.16344	1.4
175.14833	1.7
179.17947	0.9
189.16537	0.7
192.40546	0.5
245.22656	4.0
263.23672	6.9
283.06012	1.1
295.05960	1.7
319.09753	0.5
337.07187	1.1
337.10687	5.2
337.27347	100.0
338.10977	0.7
338.27652	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	337.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60613	1.3
55.01865	3.3
55.05510	18.4
57.03436	12.3
57.07073	18.3
61.02917	3.6
67.05503	16.7
69.03428	17.6
69.07068	12.9
69.47861	12.8
69.71709	1.2
71.01350	3.3
71.04994	7.9
73.02926	8.4
73.06549	3.6
79.05489	24.0
81.03406	4.1
81.07056	37.5
83.04967	9.3
83.08632	8.0
85.02902	10.5
85.06538	27.7
87.04460	3.6
91.05482	15.1
93.07049	16.3
95.04945	6.0
95.08606	10.7
97.02868	2.5
97.06502	4.2
99.04440	6.4
99.08089	5.2
103.03936	5.9
103.07563	1.3
105.07007	4.0
107.08601	8.5
109.06515	19.2
109.10131	1.4
111.04432	5.7
111.08074	32.3
115.03916	4.6
115.07543	3.0
117.06985	2.5
121.10191	1.4
123.08037	2.4
125.09621	4.5
125.26592	1.5
127.07556	14.6
129.05473	3.1
129.09129	3.6
133.10121	31.9
135.08032	5.2
136.40851	1.1
141.09094	2.0
145.08578	1.7
148.13028	1.4
149.09615	100.0
150.09903	3.6
153.09105	22.4
171.10150	32.8
171.11601	1.6
189.11185	10.3
190.12239	1.4
228.43752	1.5
270.37680	1.6
337.10773	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	337.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28741	1.8
55.01870	2.1
55.05500	2.6
55.46495	2.0
56.96551	5.0
57.03428	2.8
59.06113	3.2
60.04508	2.2
60.70027	1.9
61.02925	4.3
65.66702	1.9
67.05489	5.2
69.03417	9.4
69.06715	3.1
69.07062	36.8
70.06570	8.1
71.04970	2.9
71.60601	4.0
72.08143	20.1
73.02909	4.3
73.82775	2.0
76.16127	2.4
79.05489	2.6
81.03402	4.4
81.07040	7.2
83.04966	2.7
84.08120	9.5
85.02901	29.6
86.09686	4.9
86.25790	2.0
89.10744	2.2
91.03967	1.9
91.05464	5.7
93.07024	4.4
94.06538	4.1
95.04947	8.5
95.08591	4.1
96.04493	2.3
97.02884	15.3
97.06537	2.3
98.06060	2.9
98.09682	5.2
98.97563	3.1
99.04427	3.6
105.07008	7.5
105.38159	2.4
107.04938	3.7
109.02861	7.4
110.07146	5.1
112.07600	30.8
116.98613	3.8
119.04919	5.1
119.08585	3.6
120.08088	5.1
121.02847	2.5
127.03911	10.9
131.04921	4.2
131.08562	4.7
133.10095	2.4
135.07974	2.6
136.11128	2.3
138.05467	2.4
140.07051	32.4
145.04953	4.7
147.04433	11.6
147.05345	2.4
150.09073	2.4
154.08591	2.2
158.08113	100.0
159.08282	2.3
159.11549	2.1
161.05905	2.2
161.07115	2.8
162.03102	2.3
164.07103	2.6
166.08565	2.1
176.03300	2.5
177.00748	2.6
177.05438	5.3
182.08081	8.4
189.01955	2.6
189.05510	2.8
191.06995	6.1
197.13052	2.6
200.09151	18.2
215.07016	2.7
219.06413	4.8
224.09137	5.0
235.14285	2.4
245.04401	2.8
257.07877	2.2
260.06815	2.6
275.09207	6.6
277.07178	6.1
280.42758	2.3
301.11713	3.6
302.12326	2.9
319.12842	5.3
319.16418	4.9
320.13483	21.6
337.10068	7.7
337.13971	7.6
337.17596	20.7
337.21408	21.2
338.20749	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	337.143
Annotation	Erypoegin B
Peak:m/z	Relative Intensity
53.03941	0.6
55.01859	1.2
64.87589	0.3
65.03925	0.4
67.05504	1.5
68.99784	13.6
69.07069	0.4
69.70234	2.1
70.70911	0.3
79.05489	2.5
81.07048	15.4
83.08635	0.3
85.02892	0.8
89.96619	0.3
91.05473	2.7
93.07035	5.2
95.04966	3.5
95.08621	0.3
103.05459	5.7
105.07051	0.9
107.04948	3.8
107.08576	0.4
119.08530	0.3
121.06493	20.6
122.06821	0.4
123.04416	68.3
124.04738	1.6
125.09629	0.4
128.06152	0.4
130.07732	0.5
131.04912	1.5
131.08594	0.4
136.05179	0.4
143.08578	0.7
145.06467	0.3
145.10068	1.0
147.04443	0.4
147.11676	0.4
149.05966	100.0
150.06331	3.0
155.08559	0.7
156.09407	0.4
157.10194	0.4
158.07286	2.2
159.08000	0.4
167.08604	1.5
171.08015	0.4
172.08762	0.7
173.09607	19.9
174.09938	1.3
181.06516	0.3
184.08844	0.9
185.09554	0.4
187.11179	0.4
188.08287	0.4
189.09119	0.9
195.08093	3.3
196.08751	0.9
197.05968	0.5
199.11137	1.1
201.09087	60.1
202.09412	3.7
203.10764	0.4
209.09578	1.1
212.08301	1.0
213.09093	0.5
215.10640	9.2
216.10895	0.3
219.98044	0.3
225.09154	0.4
227.10649	8.4
228.10916	0.4
337.10916	1.8
337.14294	38.1
338.14655	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	337.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21231	0.5
53.03938	1.0
55.05509	7.7
57.03429	3.9
57.07048	1.6
61.14482	0.5
61.76846	0.6
65.03946	1.4
67.05505	14.6
68.99789	1.4
69.03402	0.6
69.07063	10.0
70.59750	0.5
71.43986	0.6
73.64710	0.5
79.05481	3.9
81.07056	15.3
83.08617	4.5
91.05476	3.5
93.07048	6.4
95.04972	1.4
95.08596	11.4
97.06513	1.3
97.10162	2.1
98.12194	0.5
98.20747	0.9
105.07026	4.4
107.04962	0.7
107.08607	3.0
109.06530	1.2
109.10155	4.5
111.11704	0.8
115.05470	1.0
119.04921	1.4
119.08598	2.8
121.10192	2.7
121.11003	0.5
123.04388	3.4
123.11716	1.5
129.06982	1.1
131.08531	0.7
133.10143	1.8
135.08075	0.7
135.11703	1.3
141.06973	1.1
142.07808	0.9
143.08551	1.3
145.06354	0.8
147.04317	0.7
147.11664	1.9
148.68536	0.7
149.02382	1.0
149.05920	0.8
153.01823	31.9
153.06953	0.8
155.08577	1.5
157.06494	1.0
157.10092	1.4
159.08072	0.6
159.11665	0.7
161.13356	1.1
161.94417	0.6
165.01889	0.8
165.07042	0.8
169.06487	1.0
170.07326	0.8
171.08084	1.5
172.08810	1.1
179.03435	1.1
183.08037	2.5
185.09602	1.4
197.06039	0.8
201.09044	0.9
209.04491	0.8
211.07544	4.3
225.09126	0.8
229.15991	0.6
238.06197	0.6
239.06892	1.1
243.49574	0.7
251.91626	0.6
253.04982	0.8
255.06532	1.3
266.05734	0.8
267.06406	2.8
271.05911	0.9
279.06577	0.6
279.10178	0.7
281.08081	1.0
281.11804	0.9
282.05206	1.1
283.06116	3.3
289.05521	0.6
293.08078	1.2
295.06027	10.6
301.08768	0.8
303.06512	1.2
304.07367	1.5
307.05856	1.2
309.07745	0.8
309.11255	1.4
319.09671	4.2
319.22519	0.9
319.26202	0.7
321.07614	1.6
322.04715	1.0
322.08438	2.2
337.10687	100.0
337.27347	23.9
338.11017	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	337.1068
Annotation	Yinyanghuo C
Peak:m/z	Relative Intensity
52.21231	0.5
53.03938	1.0
55.05509	7.7
57.03429	3.9
57.07048	1.6
61.14482	0.5
61.76846	0.6
65.03946	1.4
67.05505	14.6
68.99789	1.4
69.03402	0.6
69.07063	10.0
70.59750	0.5
71.43986	0.6
73.64710	0.5
79.05481	3.9
81.07056	15.3
83.08617	4.5
91.05476	3.5
93.07048	6.4
95.04972	1.4
95.08596	11.4
97.06513	1.3
97.10162	2.1
98.12194	0.5
98.20747	0.9
105.07026	4.4
107.04962	0.7
107.08607	3.0
109.06530	1.2
109.10155	4.5
111.11704	0.8
115.05470	1.0
119.04921	1.4
119.08598	2.8
121.10192	2.7
121.11003	0.5
123.04388	3.4
123.11716	1.5
129.06982	1.1
131.08531	0.7
133.10143	1.8
135.08075	0.7
135.11703	1.3
141.06973	1.1
142.07808	0.9
143.08551	1.3
145.06354	0.8
147.04317	0.7
147.11664	1.9
148.68536	0.7
149.02382	1.0
149.05920	0.8
153.01823	31.9
153.06953	0.8
155.08577	1.5
157.06494	1.0
157.10092	1.4
159.08072	0.6
159.11665	0.7
161.13356	1.1
161.94417	0.6
165.01889	0.8
165.07042	0.8
169.06487	1.0
170.07326	0.8
171.08084	1.5
172.08810	1.1
179.03435	1.1
183.08037	2.5
185.09602	1.4
197.06039	0.8
201.09044	0.9
209.04491	0.8
211.07544	4.3
225.09126	0.8
229.15991	0.6
238.06197	0.6
239.06892	1.1
243.49574	0.7
251.91626	0.6
253.04982	0.8
255.06532	1.3
266.05734	0.8
267.06406	2.8
271.05911	0.9
279.06577	0.6
279.10178	0.7
281.08081	1.0
281.11804	0.9
282.05206	1.1
283.06116	3.3
289.05521	0.6
293.08078	1.2
295.06027	10.6
301.08768	0.8
303.06512	1.2
304.07367	1.5
307.05856	1.2
309.07745	0.8
309.11255	1.4
319.09671	4.2
319.22519	0.9
319.26202	0.7
321.07614	1.6
322.04715	1.0
322.08438	2.2
337.10687	100.0
337.27347	23.9
338.11017	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	337.1068
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
50.22250	0.2
52.10795	0.2
53.03919	0.3
55.01856	0.4
55.05497	0.8
65.03914	0.3
67.01855	0.5
67.05502	1.1
67.83674	0.2
68.99774	1.0
69.03434	0.5
69.07048	0.7
69.29663	2.5
79.05474	0.4
79.64722	0.2
81.03381	0.2
81.07043	1.6
85.06493	0.4
91.05469	1.0
93.07015	0.7
95.08588	1.1
97.02876	0.4
97.10166	0.3
99.04388	0.2
105.07021	1.3
107.04935	0.4
107.08585	0.3
109.06492	0.3
109.10153	0.6
111.00780	0.2
111.08081	0.3
115.05462	0.8
119.04933	1.0
119.08566	0.5
120.46860	0.2
121.02847	0.9
121.06477	0.4
121.10133	0.3
123.04413	1.7
123.08045	0.2
123.11705	0.6
127.03763	0.3
128.06183	0.7
129.06963	0.6
131.04907	0.4
131.08530	0.6
133.02849	0.2
133.10124	0.4
135.11705	0.3
137.02318	0.5
139.03882	0.6
141.06985	0.5
142.07803	0.3
143.08551	0.7
145.02876	0.3
145.06442	0.4
147.04451	0.3
147.11673	0.2
149.02309	0.8
149.05946	1.0
151.03851	0.7
151.11098	0.3
153.01819	24.9
153.06996	0.6
155.08524	1.5
157.06503	0.7
157.10083	0.6
159.08043	0.6
163.03873	0.3
165.01834	0.6
165.07051	0.7
167.03334	0.3
167.08504	0.3
168.05701	0.5
169.06512	0.6
169.10110	0.2
170.07234	0.5
171.02930	0.2
171.07999	1.4
172.08620	0.4
179.03349	1.6
179.08560	0.4
183.02824	0.3
183.08047	3.3
184.08737	0.4
185.09581	0.4
187.07581	0.3
195.08086	0.3
197.05992	0.6
197.09625	0.7
199.07486	0.3
201.09007	0.4
203.03416	0.5
207.08041	0.4
209.04318	0.3
211.07523	3.3
217.04944	0.3
221.06070	0.3
221.09644	0.3
223.02396	0.3
223.07492	0.4
225.09085	0.6
235.07535	0.5
238.06274	0.3
239.07013	0.9
241.05061	0.3
247.07472	0.4
248.08313	0.3
251.07024	1.0
253.04913	0.5
253.08553	0.5
254.05473	0.3
255.06483	0.7
260.08252	0.3
263.06921	0.3
263.10696	0.3
265.04913	0.4
266.05765	0.3
266.09357	0.5
267.03784	0.4
267.06540	5.8
267.09506	0.4
268.07156	0.2
269.04367	0.3
271.05966	0.6
276.07886	0.6
277.08536	0.5
279.06580	1.9
280.07391	0.4
281.04684	0.2
281.08548	1.1
281.11307	1.0
282.05179	0.9
283.05988	3.1
285.65225	0.2
287.06866	0.4
291.06680	0.4
291.10144	0.8
293.08029	1.1
294.05048	0.5
294.08524	0.4
295.05960	4.5
295.09329	0.4
297.07516	3.4
301.08627	0.8
303.06522	1.0
304.07095	1.2
305.07916	0.6
307.05997	8.4
308.06494	0.6
309.07507	0.9
309.11179	2.5
319.09637	5.0
319.26404	0.4
321.07523	1.8
322.04675	1.3
322.08334	5.4
335.09290	0.4
337.07233	4.5
337.10666	100.0
338.07306	0.5
338.11020	3.5
348.24774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1066
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
55.01858	0.3
55.05505	2.1
56.81541	0.2
57.03424	1.4
57.07062	0.6
57.29758	0.3
58.28159	0.3
62.52009	0.3
62.57867	0.2
65.03921	0.5
67.01825	0.2
67.05165	0.4
67.05496	5.4
67.05832	0.6
69.07060	2.5
69.98918	1.4
77.40585	0.3
79.05479	1.3
81.07045	4.3
83.08604	0.9
91.05471	1.7
92.99751	0.5
93.07034	1.5
95.08598	3.8
97.10136	0.3
105.03351	0.5
105.07027	0.8
107.04928	0.6
107.08553	0.6
109.10137	1.3
115.05399	0.3
117.07044	0.3
119.04926	0.6
119.08565	0.6
121.02864	1.4
121.10069	0.5
123.04538	0.2
123.11664	0.5
129.07010	0.5
131.62248	0.3
133.10109	0.6
135.04370	0.7
135.11636	0.3
141.01810	0.3
145.02832	0.4
145.06459	0.8
147.04405	0.3
157.06566	0.3
163.03915	0.7
165.01823	1.0
165.06963	0.4
167.03345	0.7
169.06407	0.3
173.05917	0.4
177.01833	0.6
179.08583	0.3
183.02858	0.9
183.08052	0.5
185.06010	0.3
188.04024	0.4
197.05894	0.8
201.05305	0.4
202.07677	0.4
211.07610	0.5
217.10126	0.3
219.06322	0.4
220.08817	0.5
221.05814	0.3
226.06226	0.4
229.04848	0.3
239.07121	1.0
245.09659	1.1
247.07513	0.4
248.08276	0.7
251.00232	2.6
255.06543	0.8
263.10666	0.9
267.06497	5.0
271.06073	0.6
273.03714	0.5
276.07709	0.8
279.06506	1.6
280.07349	0.4
281.08081	0.8
283.05981	22.9
284.06348	0.3
290.05896	0.3
291.10120	0.9
293.08206	0.5
294.05414	0.3
294.08762	0.4
295.06039	6.7
295.09579	1.2
297.07654	0.7
305.08490	0.3
307.05960	3.7
308.06717	3.8
309.07510	2.7
309.11200	0.8
315.87399	0.3
319.06094	0.5
319.09625	5.8
321.07523	3.8
322.08292	5.3
337.10660	100.0
337.27243	7.0
338.11038	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	337.1067
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
55.05489	0.3
57.03414	0.2
65.03934	0.2
67.05501	1.4
69.06512	0.2
69.07048	0.3
70.07334	0.5
70.07740	0.9
79.05484	0.3
81.07053	1.0
85.73014	0.2
91.05475	0.8
92.99757	0.3
93.07030	0.4
95.04946	0.2
95.08578	0.6
105.03413	0.2
105.06974	0.3
107.04984	0.3
107.08555	0.2
115.05471	0.2
119.04946	0.5
121.02861	1.3
129.06950	0.3
131.04918	0.3
133.02852	0.4
133.10031	0.3
135.04419	0.4
141.07112	0.3
145.02818	0.4
145.06436	0.4
147.04413	0.3
147.11653	0.2
149.02321	0.4
155.08412	0.2
157.06450	0.5
164.85208	0.2
165.01802	0.7
165.07002	0.4
167.03432	0.3
169.06523	0.3
171.08011	0.2
173.02309	0.3
177.01816	0.6
183.02840	0.6
183.08060	0.5
187.03828	0.3
190.02512	0.4
191.03372	0.2
191.07027	0.2
197.06038	0.6
199.07558	0.3
200.04616	0.2
201.05386	0.3
202.07722	0.3
208.03644	0.3
211.07510	0.6
217.09982	0.3
220.08849	0.4
221.05922	0.3
229.04909	0.5
237.05536	0.3
239.07065	1.5
245.09673	1.0
247.07545	0.5
248.08168	0.4
251.07010	0.4
253.08699	0.2
255.06520	0.7
263.10712	0.5
266.05991	0.3
267.06497	5.1
271.05969	0.8
273.03906	0.3
276.07907	0.6
279.06500	1.4
280.07202	0.2
281.08105	1.1
281.11508	0.4
283.05988	21.6
284.06302	0.5
291.09979	0.9
293.07980	0.5
294.05124	0.5
294.08694	0.2
295.06006	6.6
295.09589	1.6
297.07489	0.6
304.07275	0.4
305.08090	0.3
307.05988	4.0
308.06763	4.1
308.10233	0.3
309.07501	2.2
309.11215	1.0
313.20749	0.2
319.09610	5.3
321.07486	2.2
322.05212	0.2
322.08322	5.8
337.10672	100.0
338.10999	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	337.1066
Annotation	Licoagroisoflavone
Peak:m/z	Relative Intensity
53.03920	0.6
55.05486	1.3
62.06065	0.8
67.05485	1.0
68.99783	0.4
69.03416	0.4
69.07043	1.4
70.96565	0.8
72.08129	0.6
79.05467	1.1
81.03394	0.8
81.07056	2.5
83.04970	0.5
85.02880	0.4
85.06522	0.7
91.05463	1.2
93.07036	1.8
95.04957	0.6
95.08591	2.1
99.04461	0.3
105.07030	1.7
107.04951	0.7
107.08575	1.3
109.06497	0.5
109.10144	1.3
117.06976	0.4
119.04909	0.5
119.08553	1.3
121.02825	1.8
121.06484	0.8
121.10131	1.3
123.04411	2.1
123.08039	0.6
123.11652	0.5
129.06973	0.5
131.08559	0.5
133.10106	1.1
134.03600	0.4
135.11639	0.5
143.08479	0.5
145.10110	0.4
147.04411	1.9
147.11685	1.0
149.02267	0.7
149.05946	1.4
157.10089	0.9
159.11705	0.8
163.03888	0.5
165.06943	0.7
167.03395	0.6
171.11789	0.5
173.02333	0.4
173.05945	0.4
175.03981	0.3
175.14740	0.4
183.02927	0.8
183.08061	0.5
195.08102	0.4
199.14833	0.4
203.03271	0.4
207.02719	0.3
211.07549	1.1
220.08810	0.5
231.08072	1.0
239.07011	1.1
251.07033	1.5
253.04926	0.6
255.06543	0.4
265.04858	0.5
266.06213	0.3
266.09302	0.4
267.06509	8.2
268.07187	0.9
272.34943	0.3
276.07846	1.2
279.06482	3.0
281.08087	1.7
281.11502	0.7
283.06024	5.1
291.06549	0.4
293.08133	0.7
294.05264	0.7
295.05927	1.8
295.09207	0.4
297.07587	5.6
303.06360	0.4
304.07150	0.7
305.08200	0.5
307.05984	13.6
308.06537	1.0
309.07495	1.4
309.11237	0.9
319.09561	2.3
319.19141	0.4
319.26324	0.6
321.07352	2.0
322.04681	3.1
322.08337	8.1
337.07080	7.2
337.10669	100.0
338.07492	0.6
338.11069	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	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94608	4.2
70.90295	10.5
88.52092	4.8
153.25317	5.2
244.46559	4.5
264.73871	4.9
337.08640	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	337.1067
Annotation	Ciliatin A
Peak:m/z	Relative Intensity
55.05489	0.6
57.07067	0.4
59.26389	0.2
65.03938	0.4
67.05505	1.6
68.99779	0.2
69.03426	0.3
69.07066	0.9
69.58547	1.4
71.04981	0.2
79.05485	0.8
81.07060	2.5
83.04993	0.2
83.08617	0.3
85.06547	1.1
91.05475	1.0
92.99736	0.3
93.07049	1.2
95.04951	0.4
95.08601	1.9
95.28795	0.2
97.06542	0.3
105.03330	0.3
105.07028	1.3
107.04961	0.5
107.08559	1.1
108.98112	0.2
109.02882	0.2
109.06507	0.5
109.10161	1.1
111.04398	0.3
111.08089	0.3
113.98463	0.2
119.04932	0.8
119.08580	1.1
120.46980	0.2
121.02867	1.7
121.10134	0.6
123.04415	0.6
123.11685	0.8
125.09615	0.2
129.06998	0.6
131.04921	0.4
131.08549	0.3
133.02861	0.3
133.10114	0.6
135.04411	0.7
135.08054	0.2
135.11671	0.7
137.02284	0.3
137.09610	0.3
137.13219	0.2
139.11136	0.2
141.01825	0.3
143.08553	0.3
145.02835	0.6
145.06502	0.7
145.10074	0.5
147.04395	0.3
147.08037	0.2
147.11678	0.6
149.02374	0.3
149.05988	0.2
149.09598	0.2
149.13272	0.5
151.11218	0.2
155.08589	0.2
155.61290	0.2
157.10193	0.3
159.04344	0.2
159.08017	0.2
159.11676	0.4
161.02306	0.4
161.06003	0.3
161.13232	0.2
163.03871	0.5
163.14909	0.2
165.01791	0.8
165.06970	0.3
165.12784	0.2
167.03429	0.4
169.06448	0.3
171.11700	0.2
173.02364	0.3
173.09506	0.2
173.13322	0.2
175.14841	0.4
177.01820	0.9
183.02863	0.7
183.08012	0.5
185.13258	0.2
187.03952	0.2
190.02643	0.2
191.03413	0.4
191.07002	0.3
197.05984	0.3
199.07581	0.2
199.14667	0.3
201.05484	0.5
201.09238	0.3
203.03365	0.6
207.02831	0.2
207.08130	0.2
208.03540	0.3
211.07523	0.7
215.07008	0.3
217.10155	0.3
219.08273	0.2
220.08852	0.3
228.04214	0.2
229.04955	0.6
235.11102	0.3
239.06969	1.4
245.09631	0.8
247.07639	0.3
248.08307	0.7
251.06868	0.2
253.04930	0.3
253.08549	0.5
255.06500	0.9
257.04254	0.2
263.10669	0.4
265.04688	0.3
267.03802	0.4
267.06522	4.6
271.06018	0.8
273.04083	0.3
276.07922	0.6
277.05066	0.3
277.08463	0.5
279.06567	1.2
280.07303	0.6
281.04971	0.2
281.08017	1.2
281.11185	0.4
283.06000	22.6
284.06403	0.5
291.06995	0.2
291.10095	1.0
293.08047	0.7
294.05249	0.5
295.06018	7.2
295.09583	1.5
297.07547	0.8
301.25183	0.3
304.07309	0.3
305.07874	0.3
307.05994	4.4
308.06799	4.3
309.07550	2.1
309.11215	1.2
319.06155	0.4
319.09592	6.3
319.22745	0.3
319.26291	0.7
320.09894	0.3
321.07529	2.4
322.04675	0.8
322.08289	6.1
337.10678	100.0
338.07208	0.3
338.11060	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	337.0804
Annotation	[1S-(1alpha,2beta,5alpha)]-4-Bromo-5-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-2-methylphenol acetate
Peak:m/z	Relative Intensity
56.96562	34.6
57.03425	0.5
57.97348	0.5
59.42784	0.4
61.02910	0.5
62.77976	0.4
62.85713	0.4
68.96571	0.7
69.03428	0.7
69.62140	1.5
69.62560	1.5
70.06587	1.0
70.98117	4.8
71.95251	1.3
72.08148	1.1
74.97569	0.9
81.03446	0.6
81.44159	0.5
84.96028	5.9
85.02906	1.3
88.99155	4.0
97.02877	0.5
98.97578	85.7
99.12584	0.5
99.97954	0.5
100.99111	0.5
102.97032	0.7
107.00185	1.2
110.07146	1.0
110.97562	14.2
112.99116	5.3
115.00695	1.1
116.98612	44.6
117.98938	0.5
119.00159	0.5
119.01989	0.5
124.95435	2.2
124.99078	0.7
126.97089	0.6
128.98595	23.3
131.00171	10.3
133.01698	5.1
133.02487	0.5
134.99646	15.9
140.00200	1.3
140.98573	2.4
142.96501	2.9
143.00131	3.9
144.98062	2.5
145.01755	1.0
146.99646	18.9
147.04457	1.4
149.01213	6.2
151.02800	4.3
152.98627	4.1
153.00728	1.2
156.98085	0.5
157.01547	0.6
158.99643	22.2
160.97595	1.7
160.99944	0.6
161.01213	5.9
162.99109	2.1
165.00700	7.6
167.02284	1.1
170.95981	2.5
170.99643	7.7
172.97577	0.6
173.01233	1.3
174.99165	2.3
175.02791	5.1
175.04233	0.7
177.00700	26.9
179.02245	1.6
183.01842	0.6
184.02861	0.4
184.97606	1.6
186.66624	0.6
188.97076	7.6
189.00694	9.2
190.98578	1.0
191.02263	1.3
192.36234	0.4
193.00256	2.1
193.03844	3.4
195.01784	2.2
200.02373	1.0
201.00711	2.6
201.04338	0.6
202.98637	3.2
205.00200	2.0
205.03857	0.7
206.98111	5.2
207.01753	4.9
211.02811	0.6
212.97075	0.9
217.00143	1.6
217.03889	3.0
219.01747	22.5
220.99719	2.8
223.01234	1.8
224.99257	0.9
225.02774	0.9
229.03833	1.6
230.98123	8.3
232.99599	0.7
233.03281	0.6
234.06161	0.6
235.01286	1.9
235.04829	1.6
237.02808	48.8
238.03156	0.9
239.00671	0.8
242.03458	0.8
244.99683	5.0
248.99179	4.6
249.02875	1.2
253.99760	0.6
255.03891	4.3
260.04449	1.2
263.00735	20.9
267.00491	0.5
267.03937	0.9
277.02411	4.1
277.05884	28.3
278.06146	0.7
279.09314	0.6
281.01791	4.5
281.04843	0.7
286.02362	1.1
295.06976	100.0
296.07285	1.8
305.01776	2.2
318.08612	4.4
323.02707	0.5
336.60263	0.6
337.08041	50.1
337.17307	1.3
337.21255	1.8
338.08423	1.0
355.09222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0702
Annotation	Pachyrrhizin
Peak:m/z	Relative Intensity
53.03952	0.1
55.01868	0.3
55.05500	0.4
57.07062	0.3
64.37166	0.1
67.05497	1.1
67.28490	0.1
68.99773	0.2
69.03405	0.3
69.07069	1.1
70.06580	0.3
71.05010	0.2
71.63390	0.2
79.05463	1.0
81.03399	0.4
81.07050	2.2
83.04991	0.2
83.08601	0.3
85.02904	0.2
85.06531	1.3
89.03914	0.7
90.70773	0.1
91.05467	0.8
93.03414	0.2
93.07033	1.2
95.04974	0.7
95.08599	1.9
97.02874	0.3
97.06526	0.3
97.10149	0.2
99.04405	0.2
103.05472	0.2
105.03381	0.2
105.07022	1.2
107.04958	1.0
107.08583	1.1
109.02882	0.4
109.06509	0.4
109.10152	1.2
117.03344	0.4
117.07026	0.3
119.04926	0.4
119.08553	1.0
121.02845	0.2
121.06449	0.2
121.10116	0.8
123.04418	0.6
123.08081	0.3
123.11700	0.6
129.07033	0.2
131.08566	0.5
133.10068	0.8
134.03587	0.2
135.04401	2.2
135.11650	0.5
137.02321	0.5
137.13156	0.2
141.07066	0.2
143.08554	0.4
145.02876	0.4
145.10098	0.5
147.04399	1.4
147.11710	0.5
149.09599	0.3
149.13249	0.4
151.11116	0.4
153.01822	0.2
153.07059	0.2
155.04735	0.2
155.08499	0.2
157.10066	0.3
159.04402	2.3
159.11679	0.5
161.02293	0.2
161.05946	0.3
161.09625	0.3
161.13222	0.3
165.07062	0.2
165.12814	0.2
171.04462	0.4
171.11646	0.3
173.05911	0.2
173.09589	0.2
173.13272	0.2
175.03912	0.7
177.05504	0.6
178.07822	0.3
179.08516	0.2
183.07990	0.2
189.06923	0.2
191.10573	0.2
199.14822	0.4
201.05379	0.2
202.02531	0.2
203.03380	9.1
204.03763	0.3
207.08054	0.5
210.06621	0.2
211.07579	0.3
217.15816	0.2
221.04388	2.7
221.06285	0.3
225.09096	0.3
234.06871	0.2
235.07512	0.9
239.07069	0.3
253.08719	0.9
263.07025	1.2
265.05008	0.4
266.05713	0.5
267.06503	0.5
269.07977	0.4
274.26495	0.2
279.06552	0.4
281.08115	1.3
283.05978	1.1
291.06430	1.9
292.07013	0.2
294.05148	0.3
295.05930	0.5
295.09503	0.1
301.25095	0.2
305.07971	0.2
307.05914	0.3
308.06708	0.5
309.07523	1.0
309.10947	0.3
319.05991	1.0
319.09302	0.3
319.22513	0.2
319.26157	0.6
321.07767	0.2
322.04703	1.1
322.08188	0.3
336.06268	0.2
336.30139	1.1
337.07028	100.0
337.10532	6.4
338.07370	4.8
338.10809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.253
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.03944	1.9
55.01874	24.3
55.05522	4.6
59.04997	1.1
62.06085	71.9
66.10702	1.1
67.05505	12.9
67.92473	1.0
69.07066	16.9
71.08627	1.3
71.63728	1.7
71.64078	1.0
74.06063	0.9
79.05120	1.1
79.05494	13.2
81.03409	3.7
81.07051	15.6
82.07405	1.1
83.04959	3.4
83.08607	1.6
86.06075	1.3
91.05469	11.3
93.07037	12.1
95.01309	1.9
95.04970	5.5
95.08607	11.2
97.05899	2.0
97.06522	37.4
97.37619	0.9
98.06043	6.5
99.04465	0.9
99.39724	1.0
105.07023	12.4
105.27579	1.1
107.04952	12.3
107.08581	5.1
109.06525	1.8
109.10130	3.2
111.08057	1.2
117.07068	4.8
119.08572	7.2
121.06519	1.7
121.10114	4.4
123.04414	2.9
123.08108	1.5
124.07588	1.1
129.07005	1.2
131.08521	3.8
133.10115	5.6
134.08243	1.1
135.11678	3.0
137.05956	1.2
137.09630	1.4
137.13266	1.1
143.08487	1.8
145.10121	5.5
147.11687	2.3
149.09608	4.6
151.11197	2.1
152.07069	1.5
152.10760	1.1
155.08684	1.3
158.11797	2.0
159.11688	3.5
161.13225	2.2
163.11165	3.6
171.11719	1.9
173.13316	3.2
177.12830	1.5
182.11690	1.1
187.11211	1.2
215.17955	1.7
222.18504	23.9
239.17805	1.5
240.19629	7.7
247.20581	1.4
248.16397	4.0
257.19040	3.7
266.17493	2.5
275.20123	9.8
281.04391	1.3
295.06107	2.5
318.24261	100.0
319.24683	1.5
321.07172	1.2
322.04614	3.1
336.09509	2.8
336.25357	27.3
337.06985	6.9
337.10651	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	337.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08171	0.2
53.03935	0.2
55.01868	0.2
55.05499	0.6
57.07060	0.4
58.06571	0.2
62.06088	0.2
67.05504	1.2
68.33261	0.2
68.33636	0.1
68.99781	0.2
69.03408	0.2
69.07054	0.9
70.06586	0.2
71.04967	0.2
71.61415	0.2
71.61804	0.2
79.05496	1.0
81.07049	2.6
83.04945	0.2
83.08633	0.4
85.02890	0.2
85.06526	1.1
88.07648	0.2
89.03901	0.7
91.05480	1.2
92.57847	0.1
93.07041	1.1
95.04975	0.8
95.08600	1.4
97.06509	0.5
97.10194	0.2
103.05441	0.3
105.03381	0.2
105.07011	1.3
107.04940	1.3
107.08576	1.2
109.02863	0.2
109.06490	0.3
109.10155	1.2
111.04404	0.2
111.08070	0.2
115.05454	0.3
117.03373	0.6
119.04890	0.4
119.08554	1.0
121.02866	0.2
121.10118	0.7
123.04395	0.5
123.08081	0.3
123.11674	0.8
125.09616	0.3
127.03900	0.2
128.06279	0.2
129.06960	0.3
131.04930	0.4
131.08548	0.4
133.10069	0.8
135.04405	1.9
135.11664	0.6
137.02394	0.3
137.05939	0.2
137.13177	0.3
143.08525	0.3
145.10129	0.7
147.04411	1.2
147.07880	0.2
147.11656	0.6
149.09607	0.2
149.13295	0.3
151.03867	0.2
151.11191	0.3
157.10089	0.5
159.04405	2.1
159.11687	0.4
161.02361	0.3
161.06001	0.2
161.13202	0.3
163.14816	0.2
165.12703	0.3
168.48236	0.2
169.10182	0.3
171.04388	0.3
171.11577	0.2
173.06021	0.2
175.03906	0.6
175.14839	0.3
176.10548	0.2
177.05473	0.7
178.07819	0.2
179.08560	0.4
179.10661	0.2
183.08076	0.2
187.03874	0.2
189.01776	0.2
189.07027	0.2
198.06610	0.2
199.14809	0.2
200.04700	0.2
202.02568	0.4
203.03371	9.8
204.03670	0.3
207.08090	0.3
207.13828	0.2
210.06697	0.2
211.07600	0.3
217.15804	0.2
221.04350	2.2
225.09042	0.3
235.07603	0.8
238.06262	0.2
239.07010	0.4
245.19048	0.2
251.06863	0.2
253.08485	1.0
263.06995	0.9
265.05087	0.4
266.05713	0.4
267.06421	0.5
269.08102	0.5
273.26154	0.2
274.26321	0.3
279.06354	0.5
281.08105	1.9
283.06039	0.7
291.06482	1.7
292.07019	0.3
293.04626	0.3
294.05206	0.3
295.05878	0.5
295.09674	0.2
307.05957	0.3
308.06845	0.3
309.07367	1.1
319.06000	1.1
319.09427	0.3
319.26257	0.6
321.07687	0.2
322.04672	1.1
322.08380	0.5
336.06277	0.3
336.30148	1.0
337.07025	100.0
337.10526	6.3
338.07373	5.5
338.10434	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	336.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
55.05505	5.4
57.03442	8.5
58.03740	0.9
60.04531	1.8
62.06086	100.0
67.05505	8.1
69.07068	4.6
71.62848	2.0
78.04716	1.1
79.05490	11.9
81.03417	1.0
81.07055	14.5
83.05008	1.2
83.08617	2.3
85.06535	2.6
91.05476	12.8
92.05834	1.2
93.07044	13.3
94.07376	2.4
95.04939	2.9
95.08604	12.9
96.08957	1.0
97.02897	1.2
97.06535	2.5
97.10117	1.2
98.06059	3.0
99.04412	1.2
99.08102	2.6
101.06019	1.3
105.07020	16.1
106.07372	1.4
107.04928	1.8
107.08599	10.8
109.06535	2.0
109.10145	4.4
111.08123	1.3
117.07012	7.0
119.08594	14.3
120.08901	1.3
121.10157	6.3
123.04424	1.3
123.08102	1.3
125.05968	1.1
128.07126	1.5
129.07022	2.7
130.08624	1.6
131.08566	11.1
132.08919	2.8
133.10117	7.1
135.08072	1.8
135.11676	2.9
143.08522	4.8
144.10211	1.0
145.10091	9.8
146.10454	1.7
147.04422	1.7
147.11678	5.0
149.09605	2.3
149.13203	1.1
152.10794	0.9
155.08540	1.3
157.10164	4.2
159.11728	7.0
160.12086	1.2
161.13249	4.3
163.11137	1.6
169.10104	1.5
171.11728	2.5
173.13283	5.9
175.14842	2.1
183.11755	1.7
185.13240	8.7
196.13332	2.8
197.13261	1.1
199.14737	2.0
201.16299	2.3
201.82646	1.0
203.14313	4.9
214.14442	3.2
215.17990	1.2
219.17419	3.6
224.16489	3.0
239.17917	3.0
244.17773	2.1
252.19513	1.5
257.19037	6.1
262.18869	1.8
262.21716	6.4
264.19626	1.6
265.05087	1.9
274.26407	1.2
275.08514	0.9
275.20056	7.7
280.22705	6.8
294.05054	1.9
300.23203	1.5
318.24280	34.6
321.07645	1.2
322.04803	8.6
336.05948	1.1
336.09528	3.5
336.22333	3.5
336.25455	7.1
336.30081	3.4
337.07025	22.7
337.10757	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	336.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01877	6.2
55.05498	4.8
58.06611	1.3
62.06085	56.4
67.05495	6.9
69.03412	1.8
69.07065	10.7
71.04985	1.3
71.62578	1.5
79.05494	11.7
81.07049	11.7
83.04973	3.2
83.08631	2.2
91.05462	10.5
93.07033	10.4
95.04964	2.8
95.08607	7.4
97.06509	8.9
97.10155	1.7
98.06054	2.9
105.07028	10.0
107.04945	3.5
107.08591	12.1
109.06522	1.7
109.10167	2.7
113.61731	1.0
115.05413	1.3
117.07007	2.3
119.04922	1.0
119.08575	6.9
121.02857	1.8
121.06489	2.0
121.10095	3.4
123.04413	7.4
123.08030	1.8
123.11657	1.5
123.79301	1.0
124.11195	2.6
125.09588	1.2
129.06935	1.4
129.82057	1.0
131.08556	3.7
133.10109	5.1
134.03583	1.5
135.08017	1.3
135.11673	3.5
137.90086	1.0
141.06955	1.5
143.08580	1.2
145.10098	4.8
147.04370	7.4
147.11658	3.0
149.05975	2.8
149.09619	4.0
157.10164	1.5
159.11684	4.8
161.09579	1.4
161.13226	2.7
163.11188	1.7
165.12747	1.1
169.10176	1.7
173.05899	1.4
173.13274	2.9
191.07069	1.8
196.13319	12.2
201.08969	1.5
203.03535	2.5
214.14357	16.2
221.04189	1.3
222.18579	8.3
224.16452	1.2
238.18063	2.9
239.18011	2.1
257.18991	4.2
265.04935	1.6
267.06500	6.9
275.20044	8.4
276.07901	1.6
279.06454	3.4
283.06018	4.5
297.07486	6.3
300.23959	2.0
307.06021	12.9
308.06772	1.3
318.24268	46.7
319.09561	2.8
321.07315	2.1
322.04645	8.1
322.08371	6.4
336.05789	1.9
336.09332	3.4
336.13058	1.5
336.25269	17.8
337.06931	23.5
337.10660	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	336.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.8
55.05502	1.4
55.93511	1.7
56.05030	1.4
56.94300	1.2
56.96554	2.1
57.03429	1.1
58.06587	1.0
60.04523	0.8
65.03943	0.8
67.05489	1.4
69.03429	5.2
69.07059	3.0
70.06592	7.5
70.95858	1.3
71.04985	1.7
71.62958	1.2
71.65033	0.8
72.08147	11.9
72.93783	25.6
73.02894	1.1
74.06043	1.0
79.05489	1.6
81.03406	5.1
82.06526	1.2
84.04492	4.1
84.08145	6.6
85.02880	5.2
85.06508	1.2
86.05991	0.9
86.09708	5.8
90.94823	12.0
91.05476	56.2
93.05779	1.8
93.07030	1.0
95.04955	1.7
95.06080	1.0
97.02883	3.0
97.06540	1.1
98.06039	2.1
98.09687	1.8
103.05468	1.3
105.06973	1.0
107.04952	19.0
108.05251	1.0
108.95837	4.7
109.02876	1.6
109.06518	0.9
109.10137	1.1
110.06010	0.9
111.08082	2.4
112.07594	1.2
113.05992	0.9
113.96395	9.6
115.05431	1.1
116.07030	1.4
116.98647	1.1
119.04939	1.9
120.08097	2.6
120.95858	1.0
121.06468	2.6
125.02392	0.9
126.05483	1.6
127.03885	1.7
128.96278	1.0
129.06863	1.0
129.09117	1.2
129.10211	2.2
130.05017	1.7
130.06480	1.4
131.04874	1.3
131.97430	10.0
133.06480	1.1
134.99741	1.2
135.04411	2.0
136.07578	1.0
138.03708	3.1
138.28157	0.9
139.07484	1.0
144.95808	2.4
145.43195	0.8
147.04430	4.6
149.00417	1.4
150.98369	2.1
153.05386	0.9
154.99030	1.2
156.10147	3.3
157.08598	8.2
162.96875	4.0
163.03874	1.5
164.99979	100.0
166.00276	2.9
166.03169	1.1
166.97876	3.2
167.07054	0.9
170.97388	3.3
171.96878	1.0
174.11237	14.3
174.98447	1.3
176.94862	1.0
176.99983	1.3
177.05289	1.0
178.97906	3.2
180.99480	3.7
183.01044	11.1
184.98848	2.5
190.97765	1.0
192.99471	21.6
195.01059	1.1
196.98958	2.2
199.00586	1.0
204.08647	2.3
204.99454	1.3
206.02596	7.2
207.01155	1.3
208.98961	3.5
211.00525	3.1
211.02646	0.9
212.03746	1.0
212.98430	2.8
216.06520	1.6
220.98979	1.2
223.00497	15.1
224.56374	1.4
229.98683	1.2
232.00525	1.2
232.98929	1.5
239.00026	2.3
246.02124	2.5
248.98468	2.1
250.99925	5.3
254.99545	12.9
255.01988	1.7
264.03122	2.2
269.01038	9.3
273.00482	3.6
274.01575	22.0
292.02634	15.6
294.98935	7.0
295.99149	1.2
313.00003	8.3
315.04279	3.6
318.11755	1.3
318.18314	1.3
336.01791	2.1
336.05582	3.6
336.10129	1.6
336.16458	2.5
336.19473	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05505	17.3
57.03433	15.2
57.07062	2.2
65.03925	2.8
67.05499	66.0
69.07063	11.1
71.61354	3.2
73.35558	1.7
79.05491	27.3
81.06577	3.9
81.07049	68.2
83.08592	6.3
90.58012	2.1
91.05468	16.5
93.07039	29.2
95.04980	3.7
95.08598	49.4
95.09194	1.9
97.06518	1.9
105.07008	7.7
107.08588	16.8
109.10157	16.4
117.06958	2.7
118.33241	1.9
118.39654	2.3
119.08562	8.0
121.10112	17.4
123.08102	2.1
123.11646	5.5
131.08525	7.3
133.10097	5.4
135.11694	10.9
137.13203	1.9
145.10095	4.5
147.11694	3.3
149.13237	3.2
159.11745	1.9
161.13251	2.3
173.13242	2.9
187.14893	2.6
251.48579	2.0
261.22122	4.0
321.06265	3.1
335.25754	100.0
336.08591	5.5
336.26169	2.7
340.20959	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	2.4
53.38941	0.6
55.01863	0.7
55.05507	17.0
57.03434	18.5
57.07079	2.9
65.03925	2.4
67.05500	63.3
69.07066	16.9
69.87006	2.4
69.87422	0.9
69.97678	0.5
71.04981	1.5
71.09060	0.5
79.05490	31.8
81.07053	57.4
82.07371	0.8
83.04942	1.4
83.08625	5.0
85.06541	0.7
91.05471	16.9
93.07040	35.7
95.04965	4.4
95.08601	45.6
96.08883	1.3
97.06511	1.9
97.10136	2.7
97.10697	0.6
97.96941	0.6
99.08093	0.6
102.99436	0.6
105.07028	8.4
107.08587	14.8
109.06491	2.4
109.09451	1.0
109.10153	16.1
117.07016	2.4
119.08584	7.3
121.09329	0.8
121.10143	13.6
123.08055	1.6
123.11686	5.4
125.09572	0.7
131.08557	4.3
133.10129	4.7
135.11681	7.5
137.09618	0.8
137.13257	1.1
143.08546	0.6
145.10139	4.2
147.11676	2.7
149.13266	3.1
153.00180	0.7
159.11687	2.6
161.13272	2.1
163.14832	1.9
173.13249	2.7
175.14825	1.2
177.12836	1.0
187.14824	1.7
243.21103	0.9
261.22141	3.2
335.25772	100.0
336.26169	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	335.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.31597	0.7
55.01862	0.9
55.05505	18.8
56.98304	0.7
57.03431	17.8
57.07069	4.2
58.21813	0.8
65.03929	3.0
67.05498	70.7
68.05831	1.2
69.03424	1.3
69.07059	17.2
71.04980	5.0
71.08604	0.9
79.05486	39.6
81.03417	0.9
81.07049	67.0
83.04986	2.1
83.08614	7.1
85.06541	1.8
91.05471	26.7
92.05769	1.0
92.07211	0.7
93.07034	47.3
95.04964	7.9
95.08597	51.5
97.06493	3.6
97.10143	2.7
98.21487	2.6
105.07021	26.6
107.04926	0.9
107.08578	28.4
109.06519	3.4
109.10146	21.0
109.10896	1.0
111.08076	1.5
115.05435	1.9
116.06260	2.1
117.06999	6.2
119.08569	24.0
121.06494	0.9
121.10133	23.4
123.08029	2.3
123.11695	8.5
124.00674	0.7
128.06235	1.7
129.07027	4.2
130.07759	1.8
131.07576	1.2
131.08560	23.3
133.10115	26.6
135.08075	2.6
135.11674	13.5
137.09625	2.3
137.13251	2.0
141.06975	1.7
142.07797	4.3
143.08545	7.0
144.09326	1.5
145.10101	18.1
146.10466	0.9
147.08006	1.0
147.11665	9.7
149.09605	2.2
149.13210	6.5
153.06924	1.0
155.08548	3.7
156.09346	4.0
157.10121	6.8
158.10893	2.8
159.11697	7.5
161.09621	2.5
161.13252	4.3
163.11205	1.5
163.14870	2.9
165.07030	1.0
167.08598	0.9
169.10123	3.5
170.10918	2.2
171.11708	6.9
172.12338	0.8
173.13239	15.5
175.14783	5.6
177.16402	1.8
179.08661	1.4
181.10078	1.9
183.11705	2.3
184.12404	1.1
185.13284	2.6
187.11308	0.8
187.14804	8.7
189.12697	1.1
193.10172	1.2
194.10895	1.3
195.11711	4.5
196.12381	0.9
197.09636	0.9
197.13234	4.6
199.14830	6.9
201.16335	0.9
205.15970	0.8
207.11678	1.4
209.13300	2.8
211.14784	3.7
212.15622	2.4
215.14339	1.1
220.12617	1.0
221.13286	2.6
223.14870	1.9
224.15637	1.0
235.14871	1.2
237.16492	1.8
241.25523	1.0
243.21089	3.4
249.16557	1.2
251.18082	1.3
252.18642	0.9
261.16467	1.2
261.22113	7.5
265.19690	1.1
277.19604	2.4
292.21838	1.8
317.24799	3.2
320.06699	0.8
335.09259	3.5
335.25858	100.0
336.08829	1.0
336.26251	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	335.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01862	1.6
55.05507	8.8
55.50374	1.0
56.96548	2.1
57.03401	1.2
61.02904	0.9
69.03426	7.0
69.07041	1.6
70.06580	11.2
71.04967	2.1
71.14516	2.0
71.14890	1.7
72.08149	44.1
73.02887	1.1
73.06488	0.9
73.08443	1.0
75.40599	0.9
79.05468	2.6
81.03402	7.9
81.07021	2.7
82.02902	1.0
83.04973	1.9
83.08554	1.1
84.04481	2.1
84.08122	5.3
85.02869	3.6
85.06514	1.0
86.09671	3.0
87.04440	1.1
89.10766	3.6
91.05497	5.0
91.05973	1.4
93.07019	2.4
95.04947	1.9
95.08539	1.6
96.04433	2.0
97.02892	5.5
97.06509	1.0
97.07587	1.4
98.06060	8.3
98.09660	1.8
98.97559	1.4
99.04443	6.0
102.09426	0.9
105.07004	3.6
107.04199	1.1
107.04940	19.1
107.08548	3.8
109.02826	2.1
109.06495	1.7
109.10139	1.2
110.02346	3.2
110.06001	1.6
110.07073	1.2
111.08018	1.6
114.10249	2.6
115.03864	1.2
115.08650	3.6
116.07071	1.3
116.98634	0.9
117.06979	2.1
119.04937	5.0
119.08527	2.9
121.02782	1.5
121.06470	1.6
121.10120	1.2
122.05996	1.2
123.04411	1.6
124.03915	3.1
124.07510	1.5
125.02332	6.0
126.05509	1.9
126.09050	1.0
127.03877	4.4
127.07518	0.9
131.04950	4.7
131.08482	2.2
131.12926	1.4
133.06482	6.4
133.10075	1.4
134.05981	1.5
135.04305	1.5
135.07994	1.0
136.03883	0.9
136.07565	1.6
137.05995	1.1
139.07526	1.2
142.04984	5.7
143.03436	7.2
145.06488	10.4
147.04395	22.7
147.08009	4.0
148.04694	1.7
149.05910	1.1
152.03467	1.0
152.07040	1.7
154.04947	7.5
157.06480	8.8
157.10892	5.7
159.04341	2.8
159.08037	1.9
160.07507	3.1
161.05930	3.0
163.03841	1.2
164.99890	1.2
170.04393	3.1
171.04321	1.5
171.11641	1.2
173.05962	2.4
173.09801	1.5
173.13237	1.4
175.07454	1.3
177.05402	2.4
178.08553	2.6
182.08195	1.1
185.05876	3.5
186.05432	1.1
187.05724	1.3
188.07013	9.1
196.09660	14.6
200.07106	1.8
201.05342	6.2
215.14201	1.3
216.06534	8.6
218.11720	5.7
219.06415	2.8
223.10913	2.2
224.09247	4.6
228.06410	3.2
229.04903	3.2
241.11731	3.5
245.09195	1.2
247.05844	1.7
258.11267	9.9
275.13824	2.5
276.08478	1.5
287.10062	3.9
299.10104	2.9
299.13751	5.1
300.12164	1.7
317.11166	7.2
317.14783	6.0
318.13318	23.5
319.13583	2.0
335.12573	5.0
335.15927	100.0
336.16058	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	335.1274
Annotation	Karanjachromene
Peak:m/z	Relative Intensity
51.02365	0.2
53.03936	0.2
55.01852	0.7
55.05512	1.5
57.03432	1.7
57.07061	0.3
65.03925	0.7
67.05498	10.1
68.99786	0.3
69.07062	1.6
69.65539	1.4
71.04993	0.3
79.05492	3.3
81.07053	6.4
83.08612	0.6
91.05466	1.9
93.07038	4.1
95.04959	6.5
95.08599	5.1
97.06527	0.2
97.10150	0.2
98.20737	0.4
105.07007	1.3
107.04965	0.3
107.08600	2.2
109.10149	2.0
117.06997	0.2
119.04969	0.3
119.08560	1.0
121.10104	1.4
123.04417	100.0
123.11736	0.8
124.04802	1.0
131.08575	1.0
133.10156	0.7
135.04422	0.3
135.11678	0.9
145.10066	0.6
147.04407	4.5
147.11673	0.6
149.13249	0.7
158.07196	0.3
159.11664	0.7
161.13219	0.5
163.03877	0.3
163.14813	0.4
168.91400	0.2
173.09619	2.6
173.13322	0.3
182.07346	0.2
185.09586	0.3
187.14764	0.2
197.09453	0.3
201.09084	6.2
213.09074	1.7
225.09200	1.0
226.09917	0.3
243.21089	0.5
246.99330	0.2
261.22134	0.6
273.38800	0.2
305.07843	0.3
335.12747	21.6
335.25772	12.0
336.13055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05507	1.0
55.52575	0.6
65.03921	3.8
67.05495	5.7
68.70821	0.6
69.03416	1.4
69.07059	100.0
69.62969	5.3
70.07391	1.4
79.05484	3.1
80.04999	1.4
81.03419	1.1
81.07053	7.9
85.06527	0.8
91.05469	1.4
92.04991	3.8
93.07029	2.9
94.06575	2.8
95.04958	2.7
95.08610	3.6
95.67985	0.6
96.08144	0.7
97.06522	24.3
103.05480	0.7
104.05013	0.8
105.07027	0.8
107.08578	2.2
108.04465	1.7
109.02872	1.7
109.06508	1.6
109.10164	1.7
117.06993	0.7
119.03672	1.6
119.08598	0.7
120.04447	0.8
121.05233	0.8
121.06528	0.8
121.10144	1.7
122.06018	8.8
123.04413	1.3
123.08037	0.7
123.11714	1.2
124.07561	4.2
125.05981	1.4
131.07312	1.2
133.10106	0.8
135.11700	0.8
137.05965	3.8
138.05487	6.4
140.07040	8.2
144.08070	2.6
145.08868	2.9
145.10107	1.6
146.09624	3.3
147.04382	0.7
148.03946	2.1
149.02399	1.1
149.05972	0.9
150.05486	86.9
151.05859	1.2
152.03392	0.9
155.08559	0.8
157.07709	0.7
157.08888	2.7
158.09663	1.5
159.10390	1.3
160.07584	1.7
160.11182	1.0
161.05966	1.2
161.08324	3.9
161.13272	1.1
162.09134	3.0
164.03499	1.6
165.04243	1.3
166.04979	31.0
167.07086	1.1
168.06558	1.8
169.08855	0.7
172.07564	2.1
172.11221	4.9
173.08391	2.3
173.09674	1.1
174.09131	1.8
174.12767	5.9
176.03421	8.0
177.05479	1.4
178.05028	1.7
185.08408	1.6
186.05405	0.9
186.07652	1.3
186.09116	1.3
187.03777	0.8
188.06958	0.9
188.10741	1.7
190.08580	1.3
190.12210	4.1
192.02892	1.3
194.04442	3.6
198.07790	1.1
198.09323	1.0
200.07111	1.2
200.10725	7.4
202.12265	8.1
204.10214	0.8
206.07980	0.7
209.04347	0.8
213.10248	1.4
214.97511	0.6
216.10176	4.4
218.08321	1.4
218.11734	32.3
219.11961	1.2
221.04639	0.6
226.08669	1.2
227.11864	1.1
228.10173	15.8
229.13379	2.0
231.03026	0.9
234.11263	3.4
241.09647	0.6
243.11301	1.1
244.09718	1.8
245.12875	2.5
246.11238	29.9
247.11670	0.9
255.11298	1.0
256.09650	2.0
257.09204	2.3
261.08618	1.3
262.03589	0.6
269.09232	0.7
271.10745	4.5
272.09158	4.9
273.12469	3.6
274.10690	3.3
287.10242	9.8
288.57092	0.6
289.11810	12.9
290.10190	1.9
291.13428	1.4
299.10318	6.6
302.11493	1.2
317.11295	32.7
318.09546	0.7
318.11560	0.7
335.07999	2.8
335.12314	35.4
335.25732	1.4
336.12491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0909
Annotation	Palmarumycin JC1
Peak:m/z	Relative Intensity
54.09373	0.3
55.01863	0.6
55.05494	0.5
62.01230	0.3
63.01675	0.3
67.05488	0.5
68.99762	0.5
69.07050	0.4
69.78032	1.0
69.78459	1.3
79.05493	0.6
81.03397	0.4
81.07027	1.1
91.05472	2.2
92.99768	2.8
93.07042	0.9
95.04990	0.4
95.08564	0.7
98.21378	0.7
103.05445	0.5
105.03360	0.5
105.07010	1.0
107.04956	2.1
107.08546	0.7
109.10169	0.4
115.05435	1.6
117.06982	0.8
118.04148	0.7
119.04923	0.8
119.08545	0.4
121.02847	2.4
121.06472	0.4
127.05437	0.4
128.06186	1.2
129.07016	3.2
129.96732	0.3
131.04953	1.0
133.02870	0.6
133.06503	1.7
135.04367	1.7
137.09570	0.4
141.06906	0.3
143.04916	0.4
145.02798	0.6
145.06467	1.1
147.08049	0.4
147.11646	0.4
149.02336	0.5
155.04901	2.1
157.06473	3.6
159.04387	0.4
161.02322	1.3
161.05997	1.3
163.03909	1.7
165.06973	1.0
167.08658	0.6
170.03572	0.6
171.04401	1.1
173.05925	0.9
173.88156	0.4
174.03114	0.5
175.03899	0.5
177.06926	0.4
181.06438	0.7
183.08012	0.4
185.05930	4.6
189.05411	3.2
189.06854	0.4
190.07787	1.0
191.08568	0.5
192.04221	0.4
194.07198	0.6
195.08043	1.1
197.05849	0.3
201.05513	0.5
202.02699	0.4
202.07761	0.4
203.08522	0.9
205.10063	1.0
207.08163	0.4
208.08832	1.3
209.09549	0.5
210.06825	0.5
213.05403	1.3
215.08600	1.3
217.04971	1.7
218.05385	0.3
218.07225	1.8
219.08002	1.4
220.03589	0.7
221.05946	0.5
223.07471	0.4
223.11240	0.7
231.08072	0.9
233.09599	1.3
235.07594	1.6
236.08360	1.9
237.09064	0.5
246.06918	0.3
247.07542	0.4
251.10628	6.3
254.05774	0.9
261.09122	1.6
263.07034	1.6
264.07779	1.2
265.08664	0.5
267.06506	2.9
273.03952	2.4
274.06277	0.3
275.06982	0.5
279.10101	3.8
289.08597	1.7
291.06625	1.8
291.09686	0.4
292.07224	5.9
293.04974	0.3
293.07980	1.6
294.05182	1.0
295.05716	0.5
305.07864	0.5
307.09610	40.7
308.09976	1.8
315.83765	0.3
317.08066	2.8
319.06128	0.5
320.06805	4.0
326.85214	0.3
335.09103	100.0
336.09424	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	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01857	1.9
55.05502	6.8
56.96549	1.4
57.03415	2.4
58.06584	0.8
61.02903	2.7
62.76037	0.7
69.03418	6.4
69.07048	0.8
69.67802	3.8
70.06587	6.4
71.04987	2.9
72.08148	10.8
73.02895	0.6
79.05471	2.5
81.03400	2.8
81.07049	14.5
83.04963	1.0
83.08610	6.5
84.04495	1.8
84.08146	3.2
85.02898	15.5
85.06512	2.3
86.09704	1.8
87.04449	1.0
89.10764	1.2
91.03911	0.7
91.05452	2.3
93.07026	1.7
95.04946	0.8
96.04475	0.6
96.08096	1.2
97.02876	7.0
97.05265	0.7
97.06506	0.9
98.06045	3.6
98.09689	3.6
98.97570	2.3
99.04435	1.0
99.08073	1.3
101.63768	0.6
103.05449	0.8
107.04941	1.1
108.08125	4.1
109.02863	1.4
109.06512	15.0
110.06030	1.3
110.07177	1.2
110.09662	0.9
111.04316	0.7
114.10315	0.8
115.08670	0.8
116.98600	2.2
118.06429	0.7
119.04932	1.3
120.08128	0.8
121.06553	0.7
123.11699	0.7
124.07560	1.1
126.05507	0.8
126.09142	42.5
127.03929	3.7
127.07544	14.9
127.09475	1.0
131.12880	0.7
133.06482	1.0
133.10176	0.7
134.99626	1.2
136.07529	1.4
137.05977	2.0
138.09111	1.0
145.04927	1.8
146.06021	1.6
147.04410	5.6
153.01810	1.1
154.08615	61.4
155.07019	29.4
155.09004	1.3
157.10863	0.8
172.09671	100.0
173.09978	1.9
177.00682	1.0
187.07298	0.7
188.07022	3.2
196.09724	0.6
200.07172	0.7
214.08615	0.7
218.11771	0.8
223.09053	2.7
281.70056	0.6
283.12302	0.6
311.06458	2.2
311.09811	0.7
316.13690	1.3
317.11224	1.1
317.22253	1.5
334.08859	1.9
334.14359	1.8
334.18552	3.1
334.24878	1.4
334.28452	2.1
335.12634	0.9
335.16165	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	334.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.3
57.59756	0.8
59.28345	0.8
59.28699	1.0
62.19379	0.8
69.03421	1.3
70.41972	2.4
72.08129	2.1
81.03381	0.8
84.08128	1.4
84.96038	1.1
85.02898	1.8
97.02894	1.0
98.97573	3.9
108.08123	0.9
116.98602	3.7
119.01870	1.2
134.99678	1.4
138.52760	0.9
143.00146	1.4
143.01811	1.0
154.04950	2.4
160.72694	1.1
161.01297	1.2
161.02948	1.3
172.05997	2.4
187.12790	0.9
218.82149	0.9
219.01709	1.1
251.04202	1.2
269.05475	2.6
287.06311	2.0
293.05383	1.5
295.16028	0.9
311.06479	8.9
323.09933	1.3
334.08926	100.0
334.18274	2.4
335.09216	8.5
335.13199	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	334.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00354	0.3
51.97735	0.3
55.01871	0.3
55.05505	0.9
56.05025	1.6
63.78000	0.3
69.54739	0.6
69.55145	2.3
70.06590	2.1
72.08154	4.7
74.02431	0.3
81.03419	0.6
84.04502	26.6
84.08128	1.7
85.02910	1.2
86.09698	3.9
91.05463	1.2
95.04946	1.0
96.04504	0.5
97.02905	1.0
98.06054	0.8
98.09709	0.7
102.05546	1.0
107.04950	0.6
109.02878	0.6
115.05448	0.6
116.07082	1.4
117.05726	0.5
117.07008	0.7
118.06539	15.3
119.04918	1.1
120.08073	1.6
121.02879	0.5
122.02686	0.6
127.03912	1.2
130.05003	5.4
130.06514	2.6
131.04900	0.4
131.12949	0.6
132.07159	0.6
132.08090	7.0
132.08946	0.3
142.06505	1.9
143.07274	1.6
144.04408	0.9
144.08076	11.9
145.06401	0.4
146.06003	58.7
147.04425	2.3
147.06346	0.7
148.04774	0.4
150.05830	0.7
152.07063	0.5
157.10902	0.5
157.13339	1.5
158.06108	0.4
159.09172	12.8
160.07591	1.6
161.05894	0.4
163.03886	0.4
169.07584	0.6
170.06013	5.0
180.08055	0.5
185.02911	0.3
185.12979	0.3
187.08734	0.4
188.07059	100.0
189.07416	1.0
191.11755	0.4
205.09718	28.3
218.11713	0.4
225.10202	9.8
233.20171	0.5
271.10776	2.0
311.06406	0.5
316.12631	0.7
317.11298	3.7
317.14932	0.5
333.69217	0.6
334.14087	9.8
334.18399	1.4
334.24786	0.6
334.28363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	PGB3
Peak:m/z	Relative Intensity
57.23109	0.4
69.57322	3.1
77.01473	0.4
81.07035	0.4
90.83329	0.3
91.05444	0.5
98.57042	0.4
98.98427	0.5
194.68832	0.4
247.12958	2.1
315.19275	5.3
333.20334	100.0
334.20718	1.3
334.23981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07627	1.6
53.03923	1.8
55.01875	1.6
55.05505	10.4
55.87113	1.6
56.96562	11.2
57.03431	18.0
57.07059	5.4
58.06580	3.4
67.05228	1.5
67.05499	19.3
69.07058	12.6
71.04977	1.7
71.62557	2.7
79.05131	1.9
79.05484	18.8
81.07059	21.3
83.08620	4.1
85.06539	2.0
90.39256	1.7
91.05475	29.4
93.07040	24.4
94.89692	1.6
95.04931	5.4
95.08603	19.1
97.06525	3.1
97.10163	4.1
98.98457	19.8
102.21394	1.6
105.07024	74.0
107.08581	15.8
109.10136	6.5
111.04430	2.5
111.08087	1.9
117.07011	18.0
119.07790	2.4
119.08565	30.1
121.10125	8.7
123.08070	2.6
123.11680	2.1
124.38722	1.8
125.09649	2.2
129.05447	4.4
129.06964	7.7
131.08554	20.7
133.10118	57.6
135.11696	8.8
138.77106	1.8
143.08517	6.0
145.10081	12.4
146.99593	1.8
147.11668	44.2
149.13240	6.3
151.11115	1.8
157.10107	6.5
159.11664	21.8
161.13234	7.5
171.11644	5.1
173.13232	18.1
175.14838	3.0
176.98926	2.8
185.13214	10.9
187.14787	1.9
199.14725	8.8
213.16296	2.5
241.19452	17.4
259.20569	11.4
315.16092	2.7
315.23123	6.4
333.07477	2.6
333.11148	11.3
333.17569	19.9
333.21039	4.2
333.24170	100.0
333.31598	8.6
334.24451	4.9
349.16992	2.4
351.18350	9.0
356.18591	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.8
57.07080	0.5
58.06578	0.4
60.80632	0.4
69.07058	0.8
69.63696	0.6
69.64116	2.5
79.05470	0.5
81.07054	1.2
91.05489	0.6
93.07010	1.0
95.08603	1.0
97.06527	0.6
98.98465	5.5
105.07026	1.1
107.08578	0.8
109.10069	0.4
110.76322	0.3
111.04456	0.4
113.67573	0.4
119.08572	0.5
121.06385	0.4
121.10099	0.6
123.11728	0.5
131.08528	0.4
133.10158	0.7
137.05978	0.8
155.08493	0.4
159.11705	0.6
176.99014	0.7
177.81058	0.4
193.04822	0.4
221.11514	0.4
251.12775	0.5
253.42932	0.4
333.11960	2.3
333.20340	100.0
334.07986	0.7
334.20599	2.7
351.20651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37019	0.5
55.05490	0.7
56.96555	1.4
57.03431	0.6
57.07062	1.1
67.05498	1.4
69.07067	0.9
70.06580	1.0
71.08649	0.5
77.00922	0.8
79.05486	1.6
81.07052	1.7
85.06557	0.7
87.04443	1.3
88.07627	0.5
91.05476	1.5
93.07033	1.4
95.08595	1.9
97.06504	0.7
98.98463	10.2
100.98882	0.9
101.80317	0.4
102.09184	0.7
105.07037	1.8
107.08610	0.8
109.10160	0.9
117.07037	0.5
119.04957	0.5
119.08602	1.2
121.02984	0.5
121.10171	1.1
128.06267	0.6
129.07039	0.6
131.08583	1.3
133.10133	1.2
135.08014	0.5
137.05896	0.8
143.08591	0.6
145.10121	0.7
145.94194	0.4
147.11633	1.0
149.02335	1.3
159.11685	0.7
161.13249	0.5
167.07066	1.2
176.98959	1.8
193.05037	1.1
195.09953	1.0
216.04106	0.5
218.63867	0.6
229.14168	0.6
231.10820	0.7
234.67255	0.5
253.12581	0.5
271.10913	0.5
271.28146	0.7
287.11639	1.8
288.09836	0.7
289.08469	2.5
290.09229	0.8
302.24078	0.9
304.10696	0.5
315.19467	0.6
315.23041	0.5
317.08279	0.7
318.08832	4.9
332.10385	0.9
333.11505	7.1
333.20355	100.0
333.32010	2.2
333.76083	0.8
334.11823	0.9
334.20633	2.3
351.20090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55898	0.5
55.05495	1.1
55.31379	0.5
55.85524	0.5
56.96540	0.6
57.03427	1.2
58.06617	0.6
59.23316	0.5
59.23615	0.5
66.87069	0.5
67.05493	1.7
69.07059	1.3
70.58619	2.1
79.05484	1.6
81.07057	1.6
83.08601	0.8
91.05477	2.1
93.07032	1.6
95.08609	1.5
95.33375	0.6
97.06574	0.6
98.98463	7.6
99.54732	0.5
105.07019	4.9
107.08583	1.3
109.10140	1.2
111.11687	0.5
117.07040	0.9
119.08578	1.3
121.10126	1.3
131.08585	1.4
133.10120	5.3
135.11717	0.6
137.06003	0.6
145.10139	0.6
147.11694	0.7
159.11685	2.3
162.91039	0.6
167.07060	0.6
171.11824	0.6
173.13257	1.5
176.98917	1.2
187.14862	0.6
235.13049	1.3
251.12334	0.6
259.20563	1.0
267.72839	0.6
311.06354	0.7
333.20374	100.0
334.20648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05497	1.5
56.96567	6.2
57.03423	2.0
58.06583	3.7
58.92958	1.0
60.04518	1.8
61.02917	1.5
67.05498	1.4
69.03419	3.2
69.63268	4.2
69.63699	4.0
70.06590	12.5
71.04984	1.5
72.08149	12.1
79.05396	1.1
81.03414	1.9
81.32189	1.1
84.04495	1.5
84.08143	5.9
85.02882	4.1
86.06052	3.3
86.09702	7.7
87.05590	1.7
88.07613	2.3
94.06578	1.4
95.04983	1.5
96.08126	3.1
97.02895	1.2
97.06528	5.6
98.06018	2.6
98.09673	2.9
98.21498	1.1
98.27434	1.0
98.97588	9.0
98.98431	3.0
100.07618	14.7
106.06538	2.0
107.06825	1.3
108.08106	18.3
109.02859	1.3
109.08433	13.1
110.09666	1.3
110.97591	1.0
112.07626	2.5
114.09171	2.6
116.98637	6.2
116.99325	1.2
124.07563	4.2
125.05987	15.9
125.07885	2.3
126.09196	1.1
127.03919	1.3
128.10738	1.3
128.98599	1.4
129.10303	1.1
130.08640	1.4
132.10179	3.9
133.06084	3.1
134.05983	1.8
134.99622	2.4
135.08046	1.2
136.07596	2.3
137.07927	2.5
141.06451	7.6
141.10239	1.2
142.08612	9.9
143.00171	1.8
146.99614	2.1
147.04396	2.3
148.09662	10.0
150.09116	15.6
152.05649	4.0
152.07051	9.5
153.07454	8.7
154.07390	1.2
154.08615	1.3
156.10040	1.4
158.99684	1.2
161.01253	1.5
162.09100	7.5
163.07506	1.6
164.10698	3.0
165.00621	1.1
169.05927	4.2
170.11716	1.3
171.08472	1.7
172.09714	3.1
172.13312	2.2
173.01186	1.6
173.12889	3.7
174.99188	3.4
177.00668	2.4
180.10207	16.7
193.00172	3.0
194.11697	2.9
200.14009	2.1
201.12411	1.3
202.05603	2.7
205.13354	4.4
206.11752	2.1
211.14394	39.4
212.14719	1.5
223.14403	65.2
224.14821	1.5
230.13826	1.5
234.13753	1.1
237.02873	1.6
241.15450	48.8
242.15935	1.8
267.17032	10.9
269.05438	4.0
281.18643	1.2
285.18057	55.4
286.18661	2.6
287.06354	2.0
293.05551	2.6
297.18109	6.4
301.10150	1.5
311.06528	17.1
315.12708	9.0
315.19080	24.9
329.07349	1.3
333.14224	17.2
333.20169	100.0
333.24872	6.1
334.07288	1.5
334.14041	1.7
334.17365	1.6
334.20871	2.9
345.06119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1903
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.12749	1.3
53.03928	4.9
55.01857	5.2
55.05505	8.7
57.03428	10.0
57.07071	22.9
59.04996	11.0
60.04509	1.8
61.02925	14.4
67.05503	14.4
69.03072	2.3
69.03424	32.3
69.07050	16.6
69.32108	1.6
69.61718	2.8
69.62127	10.2
70.06551	2.0
71.04984	7.7
72.08145	4.9
73.02910	5.1
75.38791	1.4
79.05482	5.7
81.03404	15.6
81.07049	11.5
83.04956	5.0
83.08591	5.1
84.08128	3.2
85.02896	100.0
85.06541	21.5
85.10133	2.4
86.03244	1.8
86.09688	5.6
87.04462	4.2
91.03929	5.3
91.05459	6.5
93.07024	8.6
95.04949	5.3
95.08596	62.5
97.02888	36.0
97.06541	7.3
98.06086	1.7
98.98450	10.5
99.04442	5.5
99.08086	16.8
103.03864	1.7
105.07014	4.0
106.02928	1.7
107.08589	12.9
109.02853	10.3
109.06493	9.7
109.10152	24.2
109.32258	1.5
110.02388	2.6
111.08059	13.3
111.11716	3.5
113.09634	96.9
115.03891	2.1
115.40305	1.3
119.04925	4.7
119.08548	2.5
121.06493	3.0
121.10117	3.9
123.04414	5.8
123.11693	1.6
124.03973	1.8
127.03901	21.0
127.10276	3.1
127.11176	52.3
129.09105	3.8
129.10086	1.7
131.08534	2.0
133.04980	2.4
133.10114	2.7
135.11681	21.7
137.05943	4.1
137.09608	2.9
137.13232	6.0
145.04945	22.2
147.04399	8.5
152.07101	2.5
153.12727	87.7
155.14293	17.1
163.03926	2.6
163.06021	2.5
167.07034	5.6
171.13783	63.6
173.13037	2.2
177.12695	2.5
181.06514	2.0
181.08591	2.1
195.13808	3.7
202.12749	1.8
203.31807	1.8
205.05006	2.2
213.14908	3.2
215.03354	2.1
234.82919	1.5
245.08148	2.9
279.15738	1.9
288.09976	1.9
297.07611	3.3
297.24326	2.7
301.11609	2.7
315.08566	3.6
318.09390	2.5
333.07443	6.7
333.11182	4.9
333.18442	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	333.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	33.5
57.03396	0.7
57.07079	0.8
58.06572	0.9
67.05504	3.7
67.69353	0.7
71.64312	1.2
71.95262	4.8
72.54428	0.6
72.96030	1.5
74.97597	2.8
79.05474	2.3
80.71033	0.6
81.07034	2.8
84.96014	2.0
91.05461	2.1
92.98643	1.7
93.07020	2.9
95.08581	2.4
97.96794	1.5
98.97536	1.0
98.97891	0.6
98.98454	6.8
105.06995	2.2
107.08603	1.6
109.10148	1.1
110.97540	3.6
113.15121	0.6
115.97831	1.7
116.98594	1.3
119.08560	1.4
121.10149	1.6
123.01150	2.0
123.11666	0.9
128.98592	12.1
131.08531	0.7
133.10101	2.0
133.98842	1.1
134.99651	1.1
137.02711	1.1
140.98390	0.9
141.02243	0.8
143.00090	1.4
146.99646	23.5
147.11632	0.9
149.01172	0.8
152.00102	0.9
155.03801	2.2
157.10161	0.8
158.70445	0.8
159.11728	0.8
161.01183	4.0
161.04909	0.7
165.00702	6.0
169.01639	0.7
170.01189	3.1
171.03323	1.5
175.02722	1.0
176.98900	0.9
179.02251	2.1
186.45000	0.7
187.02779	0.9
189.00551	0.9
189.04318	3.3
192.02959	0.9
203.05867	2.8
208.06209	0.7
217.07362	1.0
225.07840	1.1
227.09412	1.1
241.11176	0.9
243.09045	0.9
245.10573	1.9
259.12073	1.5
263.09573	4.8
265.10959	1.2
270.11234	0.7
274.66714	0.7
277.10974	1.2
281.10532	1.3
282.11050	0.9
283.12085	0.8
289.11084	1.2
303.12610	3.0
313.14633	0.9
315.16266	53.3
316.16690	2.5
321.13657	1.6
331.15753	2.9
333.17310	100.0
333.24146	3.8
333.31924	2.7
334.17599	3.7
349.17010	1.3
351.18390	23.8
356.18936	35.5
357.19257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05507	1.1
56.96564	0.5
57.03421	0.6
66.31214	0.5
68.54150	0.4
68.99778	0.5
69.03419	1.0
69.07044	0.9
69.83375	2.3
69.83791	1.3
70.06593	3.2
72.07794	0.7
72.08150	9.2
73.02887	0.5
74.02421	0.6
79.05492	0.9
82.02950	0.6
83.04952	0.5
84.04513	2.8
84.08138	3.6
85.02882	1.2
86.09704	2.6
91.05465	3.8
95.04947	1.5
96.04478	0.9
97.02897	0.8
98.06015	1.5
98.09668	1.4
98.21506	0.7
98.98458	5.2
99.10007	1.0
105.07008	0.7
107.04945	1.2
109.02874	1.2
114.05527	0.6
114.10266	0.8
114.23175	0.5
115.05451	0.6
117.07013	0.8
118.06547	3.9
119.04939	1.8
120.08090	1.2
121.02856	0.7
121.06491	0.6
124.03940	0.8
124.07588	1.5
127.03927	0.8
130.06516	3.3
136.69574	0.5
137.05951	0.9
144.08080	1.7
145.06493	0.9
146.05989	5.2
146.07187	0.5
146.07631	0.8
147.04395	8.1
148.04721	0.7
148.35605	0.6
149.05960	0.7
154.06505	6.3
155.07265	0.7
156.08052	1.0
157.07571	1.6
159.09248	0.6
163.03908	1.6
167.07129	1.7
168.08098	11.3
169.07594	2.2
170.06006	2.0
170.09644	6.2
171.10236	0.6
172.07578	3.1
173.05914	0.8
173.09645	0.7
173.12888	0.7
179.06026	1.2
180.08054	2.2
181.07570	8.9
182.06067	2.8
182.08342	1.3
183.05437	0.6
183.09206	0.7
184.07555	0.8
185.07077	1.4
186.09131	4.8
188.07043	5.3
193.07549	2.4
194.06076	0.7
195.05493	1.2
195.09183	7.7
196.07594	11.7
196.68321	0.6
197.07071	10.2
198.07787	6.3
199.08775	3.8
200.07086	1.6
201.05452	1.0
202.12251	0.8
205.07553	1.9
205.09579	1.2
206.08453	0.7
209.07101	6.2
210.07713	1.2
211.05083	0.8
211.08725	4.4
213.06593	11.1
214.08707	5.4
216.10223	2.2
217.09715	20.7
218.09933	1.3
218.11867	1.3
221.07118	2.6
222.07877	4.0
223.08656	15.0
224.07016	1.3
224.09009	0.7
225.06625	2.3
225.10031	0.7
226.08536	0.6
227.08154	7.3
233.07047	3.4
234.07793	1.3
239.08131	4.6
241.06046	1.5
241.09859	2.7
242.08139	1.4
243.11249	0.6
251.08167	12.3
255.07625	6.8
259.10754	1.0
260.09177	10.4
269.09213	9.0
272.09161	1.5
279.07623	1.7
287.10226	24.1
288.10635	1.2
289.11786	3.7
297.08685	5.5
309.08475	0.5
315.09723	19.1
315.13409	1.0
315.16971	1.1
316.08191	1.6
332.29752	1.4
333.10779	100.0
333.18161	5.8
334.11063	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	332.1338
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
50.57087	0.4
53.03934	0.9
56.96565	0.5
57.03416	1.6
57.61918	0.5
59.04984	0.5
61.02929	2.1
64.92061	0.5
65.03931	0.8
67.05499	1.5
69.03119	0.5
69.03431	5.2
70.06580	0.5
70.70094	0.6
70.70420	1.0
71.04978	0.6
72.08125	0.6
73.02884	1.2
79.05486	0.9
81.03393	1.8
81.07025	0.6
85.02897	8.3
87.04451	2.0
93.05759	0.7
96.08130	1.1
97.02883	3.5
98.97577	1.1
99.04458	1.1
101.02384	0.5
106.06551	4.7
108.08105	100.0
109.02876	1.1
109.08434	1.8
116.98647	0.8
123.06817	3.2
124.07575	12.3
127.03911	1.9
134.06006	8.6
135.03040	0.5
136.07567	14.5
145.05002	0.9
149.47015	0.5
152.07051	77.4
152.34280	0.5
153.07426	1.5
154.08574	1.5
170.05153	0.9
170.08104	12.4
193.05664	0.5
204.59761	0.4
236.07312	0.9
242.07544	0.6
251.07823	0.6
314.12317	31.1
315.12717	0.8
321.10342	0.6
330.57632	0.5
332.13379	54.1
333.13721	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	332.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01871	0.6
55.05504	4.3
56.05033	4.1
57.03431	0.7
57.07060	0.7
60.04517	100.0
60.99743	0.4
61.04850	0.6
67.05497	9.8
67.25934	0.4
67.49106	0.4
68.05019	0.4
69.03430	0.5
69.07063	3.5
70.06583	1.3
70.22700	1.7
71.04974	0.8
72.04520	2.0
74.06068	2.6
79.05484	6.2
80.05006	0.9
81.03459	0.4
81.07047	11.1
82.06566	1.7
83.04956	0.8
84.08128	0.6
85.02905	0.5
85.06514	0.4
86.06049	0.6
90.05550	1.4
91.05471	4.8
93.07034	5.5
94.06566	2.3
95.04954	1.1
95.08591	8.0
96.08126	1.1
97.06519	1.1
97.10171	0.8
98.06040	0.9
98.09678	1.2
98.98439	4.6
99.10025	0.6
105.07005	2.6
107.04925	0.7
107.08566	4.1
108.08145	0.9
109.02846	0.6
109.06481	0.6
109.10146	3.0
112.07603	0.6
116.07058	0.6
117.07035	0.8
119.08586	2.3
120.08126	0.5
121.06474	0.6
121.10136	3.2
123.04396	1.0
123.11682	1.5
131.08554	1.8
133.10121	2.0
134.09645	0.5
135.11632	2.7
136.06166	2.3
136.08716	0.4
137.06015	3.0
145.10112	0.9
147.04408	1.0
147.11661	1.0
148.11195	0.6
149.13248	1.0
159.11684	0.7
161.13249	0.6
163.14906	0.6
167.06995	1.7
175.14780	0.5
182.60182	0.5
183.07977	0.5
197.65488	0.4
208.36792	0.4
234.13432	1.7
237.22226	0.4
243.20985	0.6
248.23720	0.9
260.23792	1.2
266.24738	0.8
278.24713	6.4
288.09872	1.7
296.25806	11.5
314.26843	15.0
315.12039	0.6
315.27136	0.6
332.12039	1.5
332.27875	91.0
333.13293	0.4
333.24509	0.7
333.27966	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	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03429	1.8
61.02910	3.0
64.01749	0.7
67.05497	2.1
69.03419	8.9
69.87078	1.6
69.87469	2.1
70.06590	1.7
71.04958	0.9
72.08145	1.8
73.02908	1.9
79.05468	1.8
81.03401	2.6
84.08134	1.9
85.02898	12.5
86.09693	1.3
87.04459	1.5
96.06843	1.2
96.08126	1.0
97.02895	5.6
98.19404	0.6
99.04413	1.1
101.02373	0.7
104.10718	1.8
106.06541	3.7
107.84225	0.7
108.08105	100.0
109.02837	2.1
109.07645	1.6
109.08423	2.1
116.07050	0.8
116.98614	0.9
123.06810	3.4
124.07579	16.1
124.08540	1.4
127.03910	4.5
134.06009	10.9
136.07567	13.8
145.04956	0.9
152.07051	66.6
153.07472	0.9
154.08582	1.6
161.05574	4.3
170.05943	2.2
170.08095	13.8
170.09297	5.7
219.07109	1.7
231.07156	1.1
242.08112	3.0
251.08569	2.4
254.10368	0.7
314.12308	38.5
315.12885	1.6
321.10275	4.0
332.13370	74.5
332.20193	1.7
333.11377	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	13.5
56.96538	1.6
57.03432	7.9
57.07069	100.0
57.57881	1.2
58.06568	2.2
64.63338	1.2
67.05161	2.1
67.05495	25.1
67.49966	2.1
69.07058	19.6
69.61774	11.1
70.06574	5.8
71.08624	79.2
75.04467	4.8
79.05488	2.4
81.07048	36.0
83.08126	2.3
83.08605	28.3
85.06490	2.0
85.10174	38.1
86.10499	1.8
88.07626	6.7
89.06020	2.1
89.07952	2.6
91.05456	1.5
93.07053	1.4
95.08596	59.4
97.10166	14.4
98.98458	64.9
99.11698	3.7
100.98870	1.7
106.08662	4.0
107.92694	1.4
109.10158	29.5
111.11700	5.0
116.99467	4.1
123.11680	13.6
125.13272	3.2
129.06956	2.0
137.05969	2.1
137.13214	5.9
139.14815	2.4
140.01109	1.5
149.05975	1.4
151.14796	2.4
153.01942	1.3
167.06976	2.0
174.99184	3.2
176.98924	6.6
178.08537	1.4
179.95879	1.5
193.10484	2.0
221.22571	3.9
232.08676	1.7
239.23659	30.2
257.24734	7.9
261.25000	1.7
287.20065	1.3
298.27295	2.1
303.10236	2.7
313.27347	81.6
313.33032	3.8
315.10474	3.4
316.11337	2.7
331.09567	24.7
331.13605	13.2
331.22803	2.6
331.26080	2.0
331.33936	59.7
332.09982	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05294	1.1
55.05508	10.5
57.03429	6.2
57.07071	100.0
58.07391	1.7
67.05159	1.8
67.05494	20.1
67.27102	1.4
69.07066	14.9
69.64996	9.7
70.06573	3.8
71.04974	1.8
71.08627	71.6
71.69164	1.2
73.25551	1.1
75.04466	4.4
81.07051	32.5
83.08611	22.7
85.10172	35.0
88.07624	4.4
89.07968	2.0
93.07018	1.6
95.08601	50.2
97.10165	14.8
98.98463	16.4
99.08051	1.3
99.11703	3.7
106.08643	3.3
109.10145	25.9
111.11692	3.7
123.11700	10.6
125.13239	2.8
137.13228	5.6
140.39465	1.2
143.73267	1.3
151.14799	2.6
176.99086	1.3
185.66554	1.2
221.22597	3.4
239.23686	28.5
257.24731	7.0
313.27338	68.6
313.33044	3.0
314.27594	2.1
331.13632	1.2
331.29773	2.4
331.33957	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03984	1.1
53.00298	2.0
55.05506	12.5
57.03444	7.7
57.07072	100.0
67.05503	25.7
69.07067	18.1
70.06593	3.1
71.08629	72.0
71.26817	1.1
75.04475	4.2
79.05486	3.0
81.07049	33.0
81.42387	1.1
83.08614	24.5
85.10177	36.7
89.06017	1.9
93.07029	2.7
95.08599	58.8
97.10162	15.9
98.09689	48.0
98.10331	2.6
98.98460	71.5
99.10015	17.6
99.11764	2.4
100.98888	1.2
103.07579	2.7
105.07048	1.7
107.08605	3.1
109.06573	1.3
109.10149	34.3
110.09692	5.0
111.10036	3.2
111.11749	4.7
112.48502	1.4
116.99515	2.9
119.08553	1.3
121.10156	2.7
123.04401	1.2
123.08089	4.7
123.11700	12.6
125.13258	3.0
127.03917	3.0
133.10114	1.4
135.11720	1.4
137.13287	6.3
139.14882	1.5
140.01120	2.0
147.11627	1.3
151.14874	3.1
152.07050	1.2
152.13483	1.1
165.16501	1.5
174.99263	4.2
176.98921	8.7
221.20255	1.2
221.22655	3.6
233.20224	1.3
234.20511	2.9
239.23682	27.4
247.21925	2.1
248.22060	8.3
257.24710	6.4
313.27356	85.1
314.27719	1.9
315.10422	1.8
331.08676	1.3
331.13803	6.8
331.26205	9.6
331.29462	78.3
331.34009	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	331.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03784	1.0
55.01874	1.0
55.05511	5.3
56.96548	1.0
57.03437	6.6
57.07069	1.8
58.06585	2.7
60.31820	0.8
67.05509	5.0
69.07057	5.1
71.04983	0.9
71.61761	1.2
79.05467	4.1
81.07061	5.7
83.08601	3.9
85.02888	1.4
85.06528	1.7
85.48444	0.8
91.05477	10.7
93.07035	6.2
95.04931	1.7
95.08600	6.1
97.06503	2.0
98.09682	1.7
98.98460	100.0
100.98869	1.6
105.07010	9.2
107.04974	1.0
107.08590	2.6
109.10123	3.4
111.08047	1.7
115.05434	1.3
116.99517	4.4
117.07003	11.5
119.08578	12.4
121.06494	0.9
121.10155	2.2
123.04427	2.3
123.08028	1.7
129.06985	4.0
131.04964	1.1
131.08559	13.9
133.06477	1.4
133.10124	4.5
134.99536	1.1
137.05902	2.9
140.01048	2.1
141.06934	2.0
143.08582	4.6
144.09319	1.2
145.10117	20.6
147.11674	2.8
151.07487	2.2
155.08501	2.5
157.06438	1.1
157.10106	9.1
159.11679	44.3
161.09554	1.0
163.07401	0.9
165.06960	1.6
169.10121	4.1
171.11681	4.5
173.13234	5.1
174.99245	5.4
175.07524	1.2
176.98885	11.4
177.12772	1.1
178.08719	1.5
183.11699	5.3
183.40076	1.0
185.13194	3.1
187.14861	1.4
189.16463	1.1
192.10217	2.1
193.10504	1.8
197.09491	1.0
197.13272	4.5
199.14784	1.0
211.07364	1.5
211.14789	2.3
213.05333	1.4
238.06447	1.1
239.17911	7.9
242.24727	1.0
252.99739	2.1
257.18997	9.0
271.09488	1.3
298.10184	1.6
313.21539	2.2
315.10635	7.3
316.11340	4.3
331.07925	1.1
331.14105	23.0
331.18390	2.5
331.22623	44.5
331.29388	4.5
332.13910	2.2
332.23175	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	331.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77262	1.3
57.07059	3.3
58.06585	2.2
67.05511	2.2
69.07049	1.9
70.06578	1.7
71.08624	4.1
71.64420	1.9
72.79208	1.4
76.04465	1.4
81.07020	2.0
91.05458	3.2
93.07025	2.0
95.08578	2.4
98.09093	2.1
98.09693	36.4
98.98461	100.0
99.10016	12.5
100.98910	2.5
110.09674	2.5
111.10013	2.8
116.85197	1.4
116.99498	5.5
117.07014	2.0
119.08556	1.9
127.03896	3.3
140.01057	3.2
147.16460	1.8
167.03365	2.6
173.56473	1.5
174.99216	5.1
176.98927	8.9
179.77119	1.5
185.06000	1.6
203.06972	2.6
231.80414	1.5
232.08846	1.4
248.21985	6.0
252.99605	2.2
281.24350	1.5
303.10242	2.6
313.14096	2.1
313.17740	42.8
313.27322	2.7
314.17938	2.1
316.11432	1.7
331.09616	34.2
331.14008	4.9
331.18781	98.3
331.25406	3.7
331.29367	65.9
332.10123	2.9
332.19147	2.7
334.88293	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	331.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69001	0.6
55.05510	1.7
56.05032	1.2
56.96547	1.0
57.03440	0.8
57.07069	1.1
58.06597	0.9
61.02947	0.6
67.05516	1.5
68.05032	0.7
69.03436	2.0
69.07057	1.6
69.50911	0.6
69.72223	2.9
69.72641	1.3
70.06583	7.4
71.04973	0.7
71.08624	1.2
72.08153	23.8
73.08494	1.2
79.05508	0.7
81.03414	1.2
81.07062	1.4
82.06581	1.9
82.71008	0.7
83.06096	3.8
84.04491	4.4
84.08139	14.1
85.02895	3.6
85.04026	1.1
86.06059	1.1
86.09705	6.9
87.03574	0.6
87.09195	0.7
89.07157	3.0
89.10786	2.5
89.83888	0.6
91.05473	1.4
94.06554	1.4
95.04950	1.3
95.08612	1.3
96.08123	1.9
97.02867	1.3
97.03988	0.7
98.06036	2.9
98.09679	2.7
98.98460	100.0
100.07610	3.8
100.98887	2.3
101.07166	1.3
107.04949	2.1
108.08114	1.8
109.02825	0.6
109.06522	0.7
110.06044	1.0
110.07206	0.9
111.09177	0.8
112.07564	1.7
113.03481	2.2
114.10344	0.8
115.08676	1.8
116.98710	0.9
116.99466	5.0
118.06533	0.6
119.04932	2.4
119.61559	0.6
120.08108	1.2
121.02795	0.7
123.05556	1.0
124.07590	2.7
125.03452	2.3
127.03944	1.5
127.08652	1.0
128.07045	0.8
129.10228	7.2
130.06496	6.3
130.08580	0.8
132.04478	2.1
132.08083	0.9
132.10204	3.5
132.95831	1.9
134.06020	1.3
134.99721	0.8
135.04425	1.2
136.07556	1.0
139.08609	0.7
140.07011	1.3
141.05460	0.7
146.05992	4.9
147.04402	9.8
148.04756	1.3
148.09686	1.8
150.05438	0.8
150.09116	0.9
150.96834	0.8
151.08615	0.8
152.07039	2.1
153.10216	2.2
154.09755	1.8
155.07011	0.7
155.08151	2.2
157.07591	6.8
158.05995	5.3
159.09235	0.8
161.05905	0.9
163.03885	0.8
163.08615	1.5
164.09479	0.8
166.05017	1.2
167.08235	0.7
169.07611	0.9
169.09702	2.7
170.08157	0.9
174.99243	5.1
175.08661	7.5
176.98917	10.4
179.08229	0.8
181.09676	3.7
182.09145	1.1
182.10480	1.7
183.07680	1.5
185.07123	3.9
186.05573	0.7
188.07111	1.1
190.04980	1.0
200.10345	3.0
202.09758	0.9
202.96335	1.3
217.75024	0.6
218.11720	1.2
221.70454	0.6
224.51324	0.7
240.12300	4.0
241.13318	1.7
252.99617	2.3
254.13771	0.7
262.98422	1.7
268.14395	2.3
284.14948	3.8
286.15442	1.0
287.21140	1.2
296.13751	4.1
313.16385	8.5
314.11563	1.1
314.14957	15.7
330.68204	0.8
331.13315	3.6
331.17569	26.5
331.23569	1.3
331.29224	1.7
332.13391	1.3
332.17084	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	331.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05501	1.8
56.05028	1.7
56.46812	0.5
56.96548	1.0
57.03428	1.2
57.07063	1.1
57.25906	0.5
58.06598	0.9
60.04521	0.8
62.61444	0.5
65.03930	0.8
67.05495	2.7
68.15678	0.5
69.03425	1.4
69.07079	1.4
69.09480	0.5
69.60647	5.2
70.06585	6.7
71.08634	0.8
72.08149	25.7
73.08472	1.1
74.06069	0.9
81.03407	0.9
81.07053	0.9
82.06564	2.2
83.06102	2.7
84.04495	2.3
84.07616	1.1
84.08134	23.1
85.02892	4.6
85.04023	2.6
85.08493	0.7
86.06047	0.9
86.09698	7.1
89.07153	1.2
89.10786	2.4
91.05480	1.3
94.06602	1.5
95.04956	1.4
95.08611	0.9
96.08127	1.5
97.02885	1.9
97.03988	1.7
98.06083	1.9
98.09669	3.0
98.20694	0.7
98.98457	100.0
99.05537	1.2
100.07622	3.2
100.98882	2.6
105.07024	0.7
106.06555	1.3
107.04957	1.8
108.08118	3.0
109.10162	0.6
110.06044	0.8
110.09663	1.1
111.09212	1.4
112.07599	2.4
113.03473	5.1
114.04337	0.6
114.09151	0.6
114.10316	0.8
115.08710	1.3
116.98653	1.3
116.99493	5.1
119.04916	2.5
120.08170	1.3
122.05984	0.8
123.04441	1.0
123.05544	2.4
124.07594	3.9
125.03467	4.7
126.09181	0.7
127.03903	3.0
127.04961	0.6
127.08669	1.0
128.07030	0.8
129.10225	13.6
130.06522	12.3
131.04871	0.9
132.04436	4.1
132.08076	1.3
132.10196	1.8
132.95795	1.0
134.05998	2.6
135.04373	1.0
135.09137	0.6
138.09109	1.1
139.08595	0.8
140.07047	0.7
141.05455	1.1
141.10182	0.8
142.06445	0.8
144.08058	1.2
145.04921	1.1
146.05960	7.0
147.04395	10.7
148.04741	2.8
148.07570	0.8
148.09494	0.7
149.05959	0.8
150.09128	0.8
150.96805	0.8
151.08658	2.2
152.07022	3.2
153.10194	3.2
154.09747	1.3
155.08160	1.8
157.07607	13.2
158.06007	8.9
159.09175	2.4
160.07574	1.5
163.03860	1.8
163.08672	1.7
164.09436	1.6
167.08147	1.7
169.09676	5.0
170.05913	0.7
174.99205	5.8
175.08664	10.5
175.10826	0.6
176.98923	10.3
177.05394	0.9
181.09697	7.0
182.10504	2.7
183.07715	1.0
185.07094	4.5
186.05464	1.0
188.07018	0.8
190.05037	1.4
200.10358	1.0
202.09813	1.7
202.96379	1.0
210.11340	0.9
218.11763	2.8
219.11916	0.7
224.57721	0.7
230.11580	0.6
239.13838	0.7
239.17763	0.7
240.12323	2.2
241.08559	0.8
241.13316	1.3
243.07697	0.8
248.98483	0.7
252.99634	1.9
254.99362	0.9
262.98550	1.9
263.95602	0.7
268.14514	2.9
269.12717	0.7
284.14908	3.3
286.15454	1.6
287.21234	1.3
296.13916	8.7
313.16394	13.0
313.27167	1.1
314.14948	24.4
315.15115	1.4
331.13522	2.2
331.17624	40.0
331.23965	1.1
331.29294	2.7
332.13382	1.1
332.17014	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	331.1173
Annotation	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
53.03939	0.2
55.01867	0.8
55.05497	0.3
56.96552	0.3
65.03923	0.6
67.05499	4.0
68.99776	0.8
69.03410	0.5
69.07053	0.3
70.06561	0.3
71.63444	0.3
75.82617	0.2
79.05478	0.8
81.03395	0.4
81.07040	1.3
83.04971	0.3
84.08128	0.2
85.02885	0.4
85.06528	0.3
91.05483	1.2
93.07032	0.6
95.04348	0.3
95.04960	6.2
95.08604	0.8
97.02867	0.5
97.06530	0.2
98.09683	6.9
98.38254	0.2
98.98456	10.1
99.10011	2.1
100.98880	0.2
103.05450	0.2
105.03360	0.2
105.07024	0.8
107.04970	1.0
107.08582	0.6
109.02863	0.3
109.06503	0.5
109.10146	0.5
110.09669	0.8
111.04462	0.3
111.08085	0.3
111.09968	0.2
116.98663	0.2
116.99504	0.3
117.07016	0.4
119.04939	0.5
119.08573	0.4
121.02845	0.1
121.06480	0.9
121.10126	0.3
123.04416	100.0
124.04742	2.1
127.03897	0.5
129.06996	0.2
131.04922	0.4
131.08556	0.2
132.39050	0.1
133.06471	0.4
133.10126	0.3
134.03687	0.2
134.99733	0.2
135.04404	1.0
137.02296	0.2
137.05994	0.9
137.13171	0.2
139.03867	0.3
140.01163	0.1
141.05486	0.2
143.08524	0.3
145.10094	0.5
147.03224	0.2
147.04391	6.4
147.08038	0.2
147.11720	0.2
149.01189	0.4
149.05942	1.1
151.03908	0.4
151.07550	0.7
153.05453	0.4
153.06851	0.2
157.06522	0.2
159.11673	0.2
161.05963	0.4
161.13220	0.2
163.03896	0.6
163.07526	0.6
164.04721	0.2
165.05455	0.9
165.06903	0.3
167.02220	0.2
167.07033	1.2
167.08325	0.2
173.05978	0.3
174.99232	0.7
175.07538	0.4
176.04688	0.6
176.98923	1.2
177.05447	0.5
179.03497	0.2
179.07024	6.6
180.07338	0.2
181.06488	0.4
183.07973	0.4
185.05852	0.3
187.07695	0.2
189.05467	0.3
191.07022	3.4
197.06210	0.3
197.08070	6.3
198.06694	0.2
198.08470	0.2
199.07617	0.3
203.07030	0.5
209.06091	0.3
209.08060	1.2
210.06734	0.3
211.07500	0.6
213.05481	0.5
221.08049	0.3
225.09116	0.4
227.06873	0.3
228.07799	0.2
238.06203	0.3
239.07094	0.3
243.06403	0.2
243.10130	0.2
247.21663	0.5
248.22000	1.0
250.09628	1.5
250.59889	0.2
252.99751	0.2
253.04857	0.2
253.08524	0.5
255.06573	0.3
256.07196	0.2
266.05679	0.3
270.08575	0.4
271.09659	0.6
273.07654	0.2
281.08118	0.4
283.05862	0.3
284.06873	0.2
285.11252	0.2
297.07611	0.2
298.08221	0.9
299.05743	0.3
299.09061	0.7
300.09665	0.2
313.07214	0.8
313.10641	6.5
314.10992	0.3
316.09015	0.6
330.29099	1.2
331.08716	0.9
331.11743	22.4
331.29306	9.3
331.62311	0.4
332.12106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05494	1.7
56.96531	1.2
57.03426	1.6
58.06579	1.1
67.05479	3.0
69.03414	1.3
69.07040	2.3
70.06547	1.0
71.04961	3.1
71.62347	1.2
72.08123	1.2
73.02917	1.2
75.04479	0.8
79.05486	1.2
81.07020	3.4
83.04960	1.9
85.02895	4.4
85.06515	1.2
87.04420	0.7
91.05453	2.7
93.07023	2.8
95.04953	1.4
95.08585	3.2
97.02858	2.6
97.06506	1.4
98.09704	4.5
98.98459	55.5
99.10041	0.9
100.98852	1.2
105.06974	2.5
107.04919	1.3
107.08552	2.1
109.02848	1.6
109.06472	1.8
109.10103	1.4
116.98658	1.4
116.99483	2.6
119.04892	1.7
119.08518	1.2
121.06470	1.4
121.10130	1.2
123.04387	3.1
123.11694	2.0
127.03850	0.9
131.04869	1.2
131.08525	1.1
133.10091	1.2
135.11670	1.3
137.05933	3.7
139.03845	1.3
140.04932	2.9
143.08371	0.9
145.10062	0.9
147.04408	4.9
149.05887	1.1
151.03882	1.5
151.07494	2.3
153.01801	7.0
153.05435	1.6
154.06474	1.8
155.06010	10.7
163.07478	1.5
165.05432	1.0
165.06923	2.1
167.03404	1.2
167.05894	3.8
168.06671	2.0
169.07617	17.3
169.09828	1.1
170.05971	1.6
174.99132	3.3
176.98885	4.3
177.00587	1.3
179.06020	10.3
180.06790	1.2
181.07573	3.5
182.08453	2.0
183.05521	11.0
183.09233	1.4
184.07513	1.4
185.00844	1.0
185.07094	7.5
186.01553	1.5
187.07484	0.9
189.09113	0.9
192.10117	1.2
193.07603	11.2
193.10396	1.7
194.05981	2.0
195.02841	1.2
195.05534	28.9
196.06351	6.7
197.07120	15.3
198.05440	3.0
201.06520	1.4
207.05482	3.6
208.06409	1.5
209.05370	1.5
209.07111	3.0
211.04948	2.3
211.08937	3.8
212.07065	1.0
213.06635	18.5
219.01811	1.0
221.07086	16.3
223.05042	4.3
225.06630	20.6
225.08879	1.8
229.06122	14.0
237.02847	1.5
237.06490	3.4
238.07265	1.9
239.04488	1.8
239.08183	16.7
241.05937	2.6
241.08438	1.1
243.07516	2.7
245.04404	7.0
246.04556	0.9
249.06601	5.0
250.07074	1.0
252.99680	1.6
253.06108	1.7
253.08385	1.0
255.07603	1.5
257.05347	3.0
265.06021	2.3
267.07642	14.8
269.05310	2.9
271.07144	41.0
271.09683	2.6
272.07388	1.1
273.03870	6.8
273.07437	4.8
277.06067	9.3
283.07260	1.0
285.08682	46.5
286.08759	0.9
287.05432	1.6
295.07135	26.8
298.04608	1.9
299.05518	1.0
299.08926	1.6
301.03476	6.0
313.08154	100.0
314.08344	2.9
315.04828	2.1
315.10449	2.0
316.05765	28.6
316.08868	1.9
316.11597	1.7
319.07230	0.9
330.28900	2.2
331.08667	91.0
331.22516	1.5
331.29346	2.3
332.09180	1.7
347.04102	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	331.0812
Annotation	Morelosin
Peak:m/z	Relative Intensity
53.03931	0.4
55.05502	0.6
67.05495	1.4
68.99790	0.8
69.03424	3.4
69.07046	0.9
70.06593	3.6
70.11322	0.7
70.11726	1.2
71.04969	0.4
72.08152	0.7
75.94954	0.4
77.64201	0.4
79.05489	1.1
81.03415	0.4
81.07056	2.5
82.06570	0.4
83.04959	0.4
84.08134	1.5
85.02901	0.4
85.06540	0.7
91.05463	2.0
93.03374	0.4
93.07020	1.0
95.04976	1.0
95.08593	2.3
96.08109	2.4
97.02907	0.6
97.06501	0.4
98.09686	90.8
98.98460	29.7
99.09409	0.7
99.10011	11.0
100.11256	0.5
100.98864	0.9
105.03355	0.4
105.07007	1.6
107.04957	0.9
107.08580	1.0
108.02116	0.5
109.02826	0.5
109.10148	1.4
110.09672	11.4
111.09995	1.4
115.05469	0.4
116.98740	0.4
116.99509	1.5
117.20010	0.4
119.04982	1.0
119.08558	0.9
121.02849	0.4
121.06445	0.7
121.10123	0.8
123.00747	0.6
123.04424	8.5
123.11694	0.5
124.11219	2.1
124.74274	0.4
125.02351	0.6
127.03908	1.3
129.06990	0.4
131.04944	0.5
133.02866	0.6
133.06483	0.4
133.10042	0.5
135.11661	0.8
136.11195	0.6
137.02339	6.4
137.05988	1.6
138.03107	1.5
138.34781	0.4
139.03923	0.6
143.08565	0.4
145.06483	0.5
145.10136	0.5
147.04420	1.9
147.08003	0.5
149.02328	0.9
149.05978	0.4
150.03111	17.6
151.00256	0.5
151.03809	0.8
151.07581	0.6
152.01038	2.3
153.01819	13.0
155.03304	0.7
157.06462	0.5
159.08092	0.4
159.11685	0.6
161.02310	0.8
161.09613	0.4
161.13278	0.5
163.03922	0.8
163.07516	4.5
164.04605	0.6
164.37614	0.4
165.06992	1.2
166.02588	2.3
166.05727	0.4
167.03384	19.0
167.07086	0.7
169.01337	0.6
170.02087	1.4
174.99252	1.6
175.03987	0.4
175.07574	1.0
176.98868	2.9
177.01669	0.5
177.05522	0.5
179.03384	15.1
181.06418	0.8
182.07246	0.9
183.08098	1.3
184.03670	2.2
185.05902	0.5
195.06523	1.2
195.36235	0.5
197.04385	1.3
197.06059	0.8
198.06978	0.4
199.07567	0.5
200.04724	0.7
206.24472	0.4
209.05605	0.9
210.06741	1.0
211.07542	1.3
212.08353	0.6
215.07098	1.9
217.04955	1.8
221.07033	0.4
221.20100	0.7
225.05519	0.6
225.09096	0.6
227.07039	0.8
228.04178	5.9
231.06561	0.8
233.20105	2.9
234.20392	1.7
235.21663	1.7
238.06149	0.6
241.08710	0.4
242.05742	0.5
243.06502	8.4
245.04498	0.7
247.21658	12.1
248.21960	5.9
252.99759	0.6
253.08554	0.6
255.02948	0.9
255.06367	0.6
256.03625	2.8
256.07535	0.6
257.07990	1.5
261.07489	0.4
267.06613	0.6
270.08557	0.6
271.06100	6.0
271.09631	1.0
273.04080	0.7
273.07358	0.5
283.02383	1.0
284.03168	1.7
285.08286	1.5
285.11224	8.2
295.05942	2.3
298.04709	0.9
299.05475	2.6
299.08734	0.7
301.03479	2.2
301.06351	0.4
313.07056	28.9
315.05029	0.4
316.05746	36.6
316.08664	1.6
317.06076	0.8
328.27463	1.4
329.27704	0.6
330.29010	65.7
331.08115	100.0
331.11682	9.5
331.29324	46.6
332.08530	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	331.0809
Annotation	Tricin
Peak:m/z	Relative Intensity
50.19587	0.3
50.23297	0.3
53.03937	0.4
55.01860	0.4
55.05491	1.3
57.07044	0.5
58.06588	0.7
67.05508	2.3
69.03416	1.0
69.07063	1.9
70.04464	1.9
71.04977	0.5
72.08128	0.5
79.05495	2.1
81.03397	0.9
81.07051	7.8
83.04954	0.7
84.08125	0.4
85.02882	0.6
85.06532	1.1
91.05479	2.2
93.07035	2.4
95.04951	1.8
95.08601	3.5
97.02866	0.7
97.06509	1.5
98.09664	2.4
98.98460	34.7
100.98837	0.7
105.07027	2.5
106.04137	0.5
107.04936	0.7
107.08591	2.7
109.02840	0.8
109.06499	0.6
109.10149	2.1
111.08067	0.5
116.99516	2.1
119.04954	0.7
119.08546	1.8
121.02847	0.4
121.06464	0.8
121.10114	1.7
123.04419	7.3
123.08033	0.5
123.11687	1.0
125.09551	0.5
127.03899	0.9
128.06229	0.4
131.04968	0.4
131.08553	0.7
133.10103	1.5
134.03627	2.7
135.04384	0.5
135.08023	0.6
135.11703	0.7
137.02383	0.4
137.05959	2.4
137.13165	0.4
139.03886	0.7
141.06972	0.5
143.08604	0.6
145.10118	1.1
147.04370	1.1
147.11647	1.2
149.06000	0.7
149.09627	0.5
151.03871	1.1
151.07535	1.1
151.11072	0.5
153.05437	0.9
153.06999	0.7
155.06004	0.5
155.08580	0.5
157.06451	1.1
159.04463	0.4
159.11682	1.3
161.05957	0.6
161.09654	0.5
161.13231	0.6
163.07571	0.8
163.14836	0.5
164.04651	0.5
164.07985	0.5
165.01837	0.8
165.05501	0.9
165.06935	0.8
167.07037	0.6
168.05690	0.7
173.13226	0.8
174.99210	2.0
175.07481	0.4
176.98950	4.2
177.05363	0.5
177.09103	0.6
177.16321	0.4
177.57477	0.5
179.07047	2.8
181.06491	1.3
182.07155	0.6
183.02864	0.6
183.08011	0.5
193.10460	0.6
195.02876	0.4
195.08170	0.5
197.05942	1.0
197.08063	3.6
203.55908	0.4
209.05598	1.4
210.06725	0.9
211.07426	1.0
213.03438	0.4
213.05431	1.6
214.06216	0.8
225.06662	0.5
225.08957	0.7
225.12614	0.5
226.06323	0.5
227.06993	0.6
228.04021	0.5
228.07651	0.5
235.75624	0.4
237.05243	0.5
241.04955	4.7
242.05716	1.3
252.99883	0.6
253.08693	0.5
255.06488	1.1
256.07108	0.8
257.08224	0.6
269.04428	1.2
270.05240	4.1
270.08054	0.8
271.06955	0.5
271.09631	1.2
283.05948	1.9
285.08307	0.7
285.86731	0.4
288.09882	0.5
295.06558	0.6
297.03940	1.0
298.04706	36.8
299.05176	1.7
299.08972	0.8
313.07037	100.0
314.07486	4.1
315.10565	1.8
316.08673	2.2
321.11636	0.4
330.28976	1.3
331.08301	0.8
331.11819	10.0
331.17618	0.7
331.22623	1.0
331.26276	2.2
331.29205	0.7
347.04663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0809
Annotation	Remerin
Peak:m/z	Relative Intensity
50.77141	0.3
55.01751	0.3
55.05397	0.4
55.05620	0.5
58.48207	0.3
67.05328	0.9
67.05708	0.7
68.99653	0.4
69.03268	0.7
69.03593	0.4
69.06946	0.4
69.07246	0.4
69.32022	3.4
70.06416	0.9
75.23901	0.3
79.05312	0.9
81.06859	4.3
81.07402	1.5
83.04820	0.5
83.08447	0.5
83.08918	0.4
84.08025	0.4
85.02718	0.3
85.06389	0.5
87.43464	0.3
91.05257	1.1
91.86116	0.3
93.06837	1.2
93.07475	0.6
95.04748	1.1
95.08388	1.4
96.07985	0.5
97.02744	0.6
97.06315	1.0
98.09482	28.9
98.10574	1.2
98.98254	22.6
98.98972	4.9
99.04192	0.3
99.09259	0.4
99.09814	4.5
99.10520	0.8
100.98736	0.5
105.06809	1.3
106.04025	0.6
107.08369	1.0
107.09038	0.6
109.02724	0.6
109.06379	0.4
109.09983	0.9
110.09463	3.1
110.10271	0.5
111.09866	0.7
116.99273	1.2
117.03145	0.4
119.04776	0.5
119.08383	0.7
121.06339	0.5
121.09927	1.0
123.04195	16.1
123.05183	1.8
123.07847	1.0
124.11085	0.5
125.09417	0.4
127.03699	0.9
129.06798	0.5
130.46016	0.3
131.08328	0.9
133.09882	1.0
134.03403	2.4
135.11534	0.8
137.02069	0.4
137.05728	1.4
139.03691	0.4
145.09969	0.7
147.04155	2.2
147.11533	0.5
149.05797	0.7
149.09425	0.6
149.13113	0.5
149.89977	0.3
151.03679	1.2
151.07372	0.5
153.05226	1.6
153.06503	0.6
157.06281	0.7
157.09981	0.4
159.04240	0.7
159.07909	0.4
159.11479	0.9
161.09389	0.3
161.13049	0.7
163.03740	0.7
163.07355	0.4
164.04471	1.0
165.01637	0.9
165.05208	1.3
165.06766	1.0
165.12549	0.4
167.03314	0.3
167.06839	0.8
167.08212	0.3
169.06372	0.4
173.09375	0.4
173.13133	0.6
174.99007	0.9
176.98886	3.0
177.05360	0.5
177.16306	0.3
179.07034	7.7
181.06293	0.8
183.02747	0.5
183.07881	0.7
185.05643	0.4
192.03783	0.4
195.07939	0.4
197.06245	0.5
197.08076	8.6
199.07388	0.4
209.05571	0.5
210.06683	0.6
211.07347	1.1
213.05334	1.5
213.08759	0.3
214.06021	1.3
221.19942	0.6
225.05386	0.4
227.06721	0.4
228.04137	0.4
228.07642	0.4
233.20001	0.8
234.20239	0.4
235.21548	0.6
237.18272	0.5
238.06165	0.4
239.06805	0.8
241.04932	4.5
242.05659	1.6
247.21724	4.2
248.22025	2.2
252.99661	0.6
253.04904	0.7
253.08308	0.4
255.06335	0.5
256.07117	0.6
269.04276	1.1
269.08060	0.3
270.02536	0.5
270.05209	5.4
270.08154	0.4
271.09570	1.1
283.05936	0.6
285.08264	0.6
295.06061	0.7
298.04697	33.9
299.05099	1.7
299.09052	0.9
311.09390	0.3
313.07031	100.0
314.07370	3.5
315.10535	0.5
316.09024	1.0
330.29001	24.6
331.08136	1.3
331.11804	9.1
331.22821	0.8
331.26376	1.3
331.29370	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	331.0809
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.66594	0.3
55.01806	0.5
55.02047	0.3
55.05445	0.3
57.03380	0.3
61.99635	0.3
64.07775	0.2
66.24254	0.3
67.05427	0.6
68.99712	0.7
69.06982	0.7
70.06488	0.8
70.96278	0.3
71.61351	0.3
77.48460	0.3
79.05378	0.9
81.06951	1.4
83.04879	0.5
84.08040	0.5
85.06466	0.4
91.05361	1.0
93.06943	0.9
95.04897	0.4
95.08483	0.8
96.08060	0.6
96.09436	0.3
97.06448	0.5
98.09686	30.5
98.10276	2.0
98.98455	18.7
98.99059	1.0
99.10014	3.8
100.98798	0.5
103.05367	0.3
105.03307	0.6
105.06916	0.9
107.04853	0.8
107.08495	0.6
109.02822	0.4
109.10055	0.6
109.49847	0.3
110.09677	4.0
111.09930	0.6
115.05438	0.4
116.99374	0.9
117.06950	0.3
119.04852	0.4
119.08478	0.6
121.06427	0.5
121.10052	0.7
123.04405	1.4
123.11631	0.5
124.11150	0.6
127.03773	0.8
131.04808	0.9
131.08469	0.6
133.02771	0.6
133.10124	0.3
134.03595	0.6
135.04283	0.5
136.11104	0.3
137.05858	0.8
139.00183	0.4
140.00946	0.5
141.06863	0.3
143.08469	0.4
145.09999	0.8
147.04326	0.6
147.07939	0.3
147.11589	0.3
148.05214	1.4
149.05858	0.5
151.03828	0.5
151.07425	0.4
152.00848	0.3
153.01740	0.4
153.06941	0.6
154.02454	0.3
159.04343	0.4
159.11571	0.5
161.05899	0.4
165.05486	0.3
165.06888	0.5
167.03381	3.8
167.06966	0.4
168.00450	0.6
168.05646	0.4
169.01335	1.4
174.99097	0.8
175.03763	0.7
176.98912	1.9
177.05315	0.3
179.03268	0.4
181.06363	0.6
182.07162	0.4
185.00830	1.9
185.05887	0.3
186.01628	1.7
191.03313	0.8
194.01988	0.7
195.02827	0.4
196.04929	0.3
197.05925	0.6
199.03812	0.6
200.04594	0.7
207.04497	0.3
207.06490	0.6
211.07391	1.0
213.05360	0.7
214.06224	0.6
217.04849	0.5
224.12633	0.3
225.05333	0.3
227.03279	0.3
228.04100	0.4
229.04883	0.6
231.06371	0.3
233.19923	0.7
235.21585	0.6
238.06242	0.3
241.04938	0.6
242.05531	0.5
243.06383	0.9
245.04430	12.5
247.21683	4.7
248.22018	1.7
252.99673	0.3
253.04617	0.3
255.02815	0.7
256.03641	2.4
257.04321	1.0
259.05960	1.0
260.06873	0.5
269.04419	2.0
270.05225	1.7
271.05988	1.3
271.09525	0.7
273.03912	14.2
274.04254	0.4
283.02301	0.4
284.03131	3.6
285.03842	1.5
285.07428	0.8
287.05502	2.9
288.06256	0.5
298.04724	3.7
299.05505	2.6
299.09024	0.8
300.02731	0.5
301.03424	10.2
313.07117	1.4
313.21707	0.4
315.04962	5.3
316.05750	53.8
317.06058	1.0
330.26016	0.5
330.28995	21.3
331.08099	100.0
331.11575	6.0
331.26352	0.7
331.29340	17.5
332.08438	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	330.2902
Annotation	Homopiptanthine
Peak:m/z	Relative Intensity
55.01856	0.5
55.05487	1.2
56.05038	0.3
56.96570	0.5
61.02902	0.5
67.05499	0.9
69.03415	1.4
69.07062	2.0
70.06236	0.6
70.06586	6.6
71.04979	0.5
71.61795	0.6
72.08151	6.4
73.44959	0.4
79.05488	0.5
81.03399	1.1
81.07065	0.4
82.06580	0.5
83.04990	0.4
84.04485	0.6
84.08128	2.9
85.02892	1.4
86.09715	1.9
89.10812	0.7
91.05470	1.0
95.01298	0.7
95.04963	0.5
95.08589	0.6
96.08127	2.9
97.02889	1.3
98.06044	1.0
98.09686	83.8
98.98458	36.3
99.10019	1.0
100.98867	0.7
105.07019	0.6
107.04933	1.4
107.08598	0.4
107.52973	0.4
109.02863	1.0
109.06520	0.4
110.02406	0.6
110.09681	12.6
112.07629	0.8
116.07088	1.1
116.99494	2.5
119.04948	1.0
119.08615	0.5
120.08053	0.6
121.02866	0.5
121.06491	0.6
122.06041	0.8
123.04413	1.1
123.08066	0.3
124.03921	0.9
124.07565	1.2
124.11233	3.0
124.18550	0.4
127.03893	1.3
131.04903	0.4
131.08542	0.5
136.06181	9.8
136.11232	0.5
137.05966	1.1
138.05536	0.4
140.00984	0.5
140.07062	2.4
145.04918	0.4
147.04424	3.2
150.09088	0.8
151.07468	0.7
152.07095	0.8
161.13667	0.3
163.03946	0.6
163.07565	1.1
167.08408	0.3
168.06566	3.8
168.10205	1.2
174.99202	2.4
176.98906	3.3
177.01854	0.5
177.05481	0.6
178.04936	0.7
178.08823	0.4
186.27412	0.4
187.14497	0.4
190.05026	0.5
192.10181	1.0
208.05307	0.5
209.08060	0.5
213.99892	0.6
215.07004	0.6
216.17490	0.4
218.11693	0.4
221.20148	0.9
233.20114	8.0
235.21664	2.3
236.04605	0.5
238.13202	0.3
238.65469	0.3
241.99493	0.6
247.21681	8.5
252.99660	0.5
254.00081	0.6
254.05667	0.4
266.08862	2.9
269.08289	0.6
294.13464	0.6
296.12827	0.7
314.10205	1.4
315.08170	0.7
315.11325	0.9
328.27551	0.5
330.13596	7.3
330.29007	100.0
331.13632	1.0
331.16940	0.4
331.29385	4.2
341.43954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05506	8.5
56.96554	0.9
57.03422	2.8
57.07071	2.9
58.06589	2.6
67.05496	6.5
69.03422	1.1
69.07052	3.3
69.12440	0.6
70.06580	4.2
71.08271	1.0
71.08628	11.5
71.27554	0.6
71.31943	1.4
79.05493	4.2
81.03405	0.7
81.07047	7.5
83.04951	1.5
83.08617	7.3
85.10155	0.8
86.35670	0.5
87.04457	9.1
88.07622	7.5
91.05458	3.2
93.07030	5.0
95.04961	1.8
95.08578	4.5
97.06484	1.0
97.10164	13.0
98.09683	5.7
98.98460	58.1
99.08083	8.7
100.98864	1.1
101.06012	18.6
102.09158	2.0
103.05476	1.7
104.04987	0.9
105.07014	3.1
106.00732	0.6
107.04955	0.9
107.08579	4.2
109.06475	0.9
109.10165	2.8
111.08030	0.7
115.05417	1.0
116.99475	3.7
119.08583	2.2
121.06524	0.6
121.10135	1.8
123.04445	1.4
123.11710	0.9
125.09615	10.6
127.03930	0.9
131.04912	5.0
132.04416	1.4
133.10117	1.8
135.08046	1.2
135.11671	0.7
137.02281	0.9
137.05945	5.6
138.05447	1.2
140.01083	1.5
143.04944	1.9
143.10652	0.7
145.10100	0.8
147.11681	0.9
150.05544	1.0
150.06755	2.5
151.07480	3.1
151.11197	4.7
152.07086	3.7
153.09074	0.6
153.12778	0.7
161.13228	3.0
162.06749	1.0
163.07536	7.4
163.11189	2.4
165.09131	0.6
166.04997	1.4
171.10205	0.9
173.11684	0.6
174.99237	3.3
175.07553	2.0
175.99507	0.7
176.98892	4.7
177.07851	2.1
178.04973	6.9
178.08611	2.1
179.14314	3.9
189.11198	18.5
190.45627	0.6
192.10161	10.5
216.72484	0.6
241.19394	0.9
247.21588	1.0
252.99724	0.7
253.08577	0.8
254.00304	0.7
255.10065	0.8
256.26331	8.6
258.07782	0.7
259.20627	1.7
270.27921	1.9
277.21597	14.7
279.08865	1.0
282.07715	1.5
295.22678	4.3
296.09131	1.6
297.09888	3.6
298.10782	3.9
299.12466	0.7
312.12445	1.6
314.10196	22.3
314.13879	1.2
315.10959	17.5
316.11069	1.3
330.13367	100.0
330.16855	7.8
330.29932	37.7
330.32880	0.7
331.13800	11.9
331.18784	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05507	9.4
56.12382	0.5
56.96542	0.7
57.07066	0.5
58.06577	0.9
59.04987	0.5
63.34522	0.4
64.20489	0.4
67.05499	3.4
69.03413	1.6
69.07067	2.6
69.86076	0.8
69.86492	2.3
70.06580	2.5
71.08624	0.9
78.17609	0.4
79.05474	2.8
81.03408	1.0
81.07053	4.0
82.06569	0.5
83.04964	1.3
83.08614	7.3
84.08148	1.2
85.06537	0.5
87.04454	0.6
88.49680	0.4
91.05478	1.1
93.07024	2.0
95.04973	0.7
95.08602	1.3
96.08115	1.3
97.10157	15.0
98.09681	80.8
98.98454	32.1
99.08089	0.5
99.10024	0.6
100.98876	1.0
103.05446	0.7
105.07024	1.1
107.08580	4.7
109.10120	1.9
110.09673	8.5
116.99496	1.8
117.07015	0.5
119.04911	0.6
121.10159	0.7
123.04398	1.0
123.11713	0.7
124.11240	1.6
125.09621	12.9
126.12770	0.8
131.04927	2.1
135.08046	0.9
135.11693	0.7
136.11246	0.5
137.05951	1.3
137.06995	0.5
143.10652	0.8
144.58737	0.5
147.04440	0.6
150.06750	0.9
151.07541	1.1
151.11194	1.2
152.07021	0.9
153.09132	0.7
161.05885	0.6
161.13217	0.5
163.07562	2.1
166.04886	0.5
171.10178	1.7
174.99214	1.8
176.98851	2.2
178.04976	2.0
178.08655	0.8
189.05478	0.9
189.11195	27.0
190.11537	0.6
192.10214	1.7
193.15849	0.5
207.06496	3.2
221.20119	1.1
225.09294	0.6
233.20123	3.6
235.21722	1.6
241.19495	0.5
245.20134	0.8
247.21661	13.2
258.16873	0.5
259.20486	0.9
267.09958	0.5
269.08115	0.5
277.21628	12.6
278.21872	0.8
282.07663	0.6
295.22659	3.1
296.09180	0.6
297.09918	1.9
297.87885	0.5
298.10669	0.5
312.12302	0.5
313.17981	2.2
314.06628	0.8
314.10104	5.9
315.10928	5.2
316.11676	0.6
328.27451	0.6
330.13385	27.7
330.28995	100.0
331.09415	0.7
331.13644	2.5
331.19022	1.0
331.29272	5.3
342.55023	0.5
346.55151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
54.36436	0.8
55.01852	1.0
55.05505	5.7
56.57111	0.9
56.96554	2.0
57.03426	2.0
57.07074	1.5
58.99565	2.0
60.04515	0.9
63.44332	0.8
65.03941	0.8
67.05488	3.7
67.98434	0.8
69.03425	54.9
69.07064	17.0
70.06280	0.9
70.06593	8.3
71.04970	2.5
71.62081	1.1
72.08151	24.5
73.02906	1.0
73.08475	0.9
76.02227	5.6
77.89113	0.9
79.05490	5.1
81.03400	2.3
81.07047	9.0
81.68155	0.8
83.04971	6.6
83.08627	1.7
84.04489	1.9
84.08151	4.5
85.02908	4.4
85.06520	2.8
86.09705	6.2
86.99040	2.1
87.04441	0.9
91.05470	6.3
93.07033	12.4
94.06507	0.8
95.04984	1.6
95.08604	12.6
96.08101	2.1
97.02872	3.6
97.06510	6.4
98.06033	1.2
98.09686	59.3
98.98460	88.5
99.04434	1.5
100.98917	1.3
105.00076	3.0
105.02785	0.9
105.07020	8.3
107.04955	7.8
107.08585	18.9
109.02882	2.4
109.06509	8.2
109.10128	4.1
110.09666	6.3
111.04489	0.9
111.08063	4.3
111.11688	1.1
112.07606	1.8
116.98670	2.1
116.99487	5.7
117.03382	1.1
119.04943	2.3
119.08573	6.2
121.02853	1.4
121.06460	4.0
121.10134	29.0
122.02722	40.3
122.06036	1.0
123.04419	3.7
123.08046	5.2
123.11706	10.9
124.07590	1.5
124.11199	1.0
125.09621	25.1
127.03913	4.7
131.04922	1.4
131.08557	7.6
133.10114	5.6
135.08047	14.5
135.11694	7.1
137.02441	1.0
137.05942	2.4
137.13232	1.0
140.01077	1.4
140.07043	9.7
143.04858	1.2
143.08545	1.4
145.02878	2.0
145.10080	4.5
147.04424	6.4
147.08020	1.2
147.11670	4.6
148.07553	0.8
149.06015	1.0
149.09615	10.0
149.13243	3.7
151.03935	2.1
151.07507	2.1
151.11107	1.3
153.09087	8.9
157.06639	1.0
158.10883	4.2
159.04471	0.9
161.09645	2.1
161.13263	1.4
162.08984	0.9
163.03876	2.4
163.11172	2.8
163.14798	5.3
165.06961	1.1
165.12744	4.0
167.05209	1.5
167.06989	0.9
167.10654	10.5
168.06586	13.5
171.14882	6.2
173.02315	1.3
173.13249	29.2
174.09152	1.2
174.13560	1.0
174.99234	4.5
175.07593	1.0
175.99591	2.1
176.98923	7.5
177.05450	3.8
191.03365	1.2
191.14294	87.9
192.10161	1.9
192.14674	3.6
195.02905	4.9
195.09181	1.2
197.09969	2.3
199.14438	3.4
208.05179	11.4
209.15350	100.0
210.15656	5.4
211.03932	1.0
215.07018	2.2
218.11673	1.2
225.05495	1.4
231.17084	1.0
233.20113	5.4
235.21613	2.1
236.04626	2.3
239.07011	2.2
240.04167	1.5
241.12553	24.7
247.21681	8.2
252.99741	2.3
254.05762	2.9
255.06236	1.2
257.04514	1.5
257.07968	1.3
265.03540	1.5
267.06345	1.1
269.08072	9.0
270.08298	1.3
271.09717	2.0
274.04056	1.7
285.07431	4.1
300.06265	1.4
313.07266	1.7
313.12189	2.1
314.10233	4.7
315.08478	20.3
316.09033	1.8
330.10934	18.6
330.13782	8.6
330.17136	4.2
330.28998	71.8
331.07730	1.3
331.11426	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	330.1095
Annotation	Fluridone
Peak:m/z	Relative Intensity
52.72570	0.2
55.05500	0.4
56.96559	0.3
57.03420	0.2
58.06582	0.2
61.02917	0.2
63.29939	0.2
63.55027	0.2
65.03925	0.2
67.05495	0.4
68.99790	0.2
69.03416	0.6
69.07043	0.7
70.06577	0.7
70.61308	0.4
70.61639	0.3
70.81178	0.2
71.05009	0.3
72.08144	1.1
79.05458	0.3
81.03382	0.5
81.07052	0.5
84.08134	0.7
85.02887	1.2
85.06544	0.2
86.09679	0.4
91.05479	0.5
93.07060	0.2
95.04929	0.2
96.08119	0.3
97.02892	1.1
97.06529	0.3
98.09684	9.0
98.98458	12.8
100.98967	0.2
101.06035	0.3
105.07036	0.5
107.04975	0.4
107.08585	0.4
109.02884	0.4
109.10130	0.6
110.09689	1.2
111.04494	0.2
114.04710	0.2
115.03883	0.3
116.99503	0.6
119.04916	0.3
120.08154	0.2
120.08974	0.2
123.04422	0.7
123.11717	0.3
124.07576	0.3
124.11156	0.3
127.03912	0.5
131.04935	0.4
137.05893	0.3
138.05528	0.4
140.01096	0.3
140.07117	0.5
147.04410	1.1
150.09172	0.4
151.07466	0.3
152.06117	1.3
153.01804	0.4
154.04077	0.5
163.03979	0.3
165.05630	0.3
167.03366	0.3
167.07054	0.6
168.06516	1.2
168.10201	0.7
169.12228	2.3
174.99237	0.6
176.98907	0.9
178.04979	0.3
179.03392	0.4
180.05675	2.5
181.06445	0.7
183.04341	0.3
184.05142	0.5
187.07608	0.3
192.10101	0.4
194.03577	1.4
195.02991	0.3
196.05171	0.6
197.06013	0.8
198.06752	0.9
208.05180	43.3
209.05576	2.6
210.06693	0.5
211.03891	1.4
211.07567	0.5
212.04590	0.9
213.05479	0.4
222.03087	0.7
223.04008	0.6
224.04655	1.5
225.05431	2.0
226.06198	3.2
227.07011	1.4
229.04964	1.1
233.20032	0.7
236.04660	9.4
237.05109	0.7
238.06238	0.4
239.03400	0.5
239.07169	0.5
240.04160	7.9
241.04799	1.0
241.08601	2.0
242.05602	0.3
242.08870	0.4
243.06456	0.5
244.07262	0.8
247.21674	1.1
253.04843	0.6
254.05728	12.2
255.06085	1.2
256.07092	0.4
257.04446	4.6
257.07690	0.4
258.04880	0.5
264.04245	1.4
267.06494	0.8
268.03622	4.6
268.06473	0.3
269.08069	33.9
270.05466	0.4
270.08411	2.4
271.05957	2.8
271.09521	1.4
272.06747	6.2
273.07245	0.7
282.05228	5.6
283.05737	0.8
285.03964	0.4
285.07532	0.7
286.04681	1.6
286.08224	0.6
287.09152	4.0
288.09494	0.3
297.07458	1.2
299.05374	0.9
299.09061	1.1
300.03085	0.4
300.06274	4.9
301.06958	4.3
302.07330	0.4
302.10645	0.2
310.08844	0.8
313.07037	2.5
314.07513	0.4
314.10797	0.4
315.08588	92.4
316.05753	0.6
316.08951	5.9
330.10892	100.0
330.28952	9.8
330.60034	0.2
331.07907	1.6
331.11359	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	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05302	0.4
55.05512	5.0
57.03421	1.1
57.07077	2.9
58.06565	0.5
67.05497	7.3
69.06677	0.5
69.07059	7.7
70.06578	0.5
71.04974	0.6
71.08620	1.6
78.26254	0.3
79.05478	3.2
81.07049	9.1
83.08607	6.1
84.08129	0.4
85.10149	0.9
91.05473	0.8
91.38641	0.4
93.07032	4.6
95.04969	0.7
95.08600	5.3
97.06538	2.3
97.10164	4.4
98.09688	14.1
98.21567	0.5
98.98455	100.0
100.98876	0.9
105.07059	0.6
107.08592	4.5
109.10145	3.3
110.09663	1.8
111.08084	1.2
111.11706	1.3
116.08073	0.3
116.99484	5.3
119.08574	0.5
120.61300	0.4
121.10126	8.4
123.11702	2.9
124.76385	0.4
125.09609	1.0
128.54138	0.4
131.04938	0.7
133.10188	0.4
135.11685	5.7
137.05992	0.5
137.13254	1.9
140.01083	2.7
149.13248	3.2
151.07425	0.4
152.07048	0.7
153.12697	0.5
159.11649	0.4
163.07549	1.3
163.14833	1.4
174.99202	11.0
176.98904	5.5
177.16403	0.5
178.04982	1.0
178.08571	0.4
192.10193	1.1
216.01883	0.4
219.06508	0.4
219.21060	8.2
222.34386	0.4
229.13567	0.4
233.20210	0.4
237.22104	7.2
246.20436	0.9
247.21675	2.4
251.00128	0.9
252.07266	0.5
252.99719	1.7
255.23245	1.1
257.16400	0.7
266.08920	0.4
298.11047	0.5
311.12720	5.9
311.25797	5.7
312.12927	0.5
312.25998	0.5
314.10214	4.1
315.11050	1.5
329.06528	1.0
329.13562	0.8
329.21432	0.6
329.27722	10.6
329.31909	0.9
330.13370	16.8
330.16632	0.6
330.28992	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	329.2683
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.05503	6.7
55.56026	0.6
57.03411	0.8
57.07061	4.5
58.01463	0.7
58.06600	3.2
67.05503	5.2
69.07059	10.5
69.56574	6.0
71.08614	2.8
71.74984	0.6
79.05479	2.2
81.07037	5.4
83.04982	0.8
83.08604	7.5
85.10162	1.2
88.20847	0.7
91.05517	0.7
93.07040	4.7
95.08587	4.5
97.06535	2.8
97.10172	7.0
98.09676	4.3
98.21471	1.4
98.98456	100.0
100.98868	1.1
105.06960	0.7
107.08563	3.4
109.10143	3.1
110.09634	0.7
111.08088	0.8
111.11696	1.8
116.99490	6.2
121.10134	6.9
123.11702	1.6
125.13258	0.7
135.11674	4.0
137.05980	1.1
137.13222	1.6
140.01048	2.8
149.13330	1.6
153.12752	0.9
163.14859	1.6
174.99222	9.5
175.07489	0.7
176.98918	5.4
177.09128	0.7
177.16316	0.7
219.21046	6.0
237.22058	4.4
252.99692	2.3
255.23225	1.7
281.20941	0.8
299.11038	1.3
311.25793	4.3
313.12622	1.4
314.10168	2.0
314.13461	1.9
315.11133	1.8
329.15747	12.5
329.19385	2.8
329.27789	8.8
330.13293	10.9
330.16791	2.3
330.28864	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	329.2318
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.09991	0.4
55.05508	2.8
57.03423	2.0
57.07056	0.6
58.06594	0.8
65.04678	0.4
67.05164	0.7
67.05495	8.5
69.03422	1.1
69.07063	5.0
69.80267	0.4
71.04996	4.0
71.08612	0.5
71.61919	0.5
72.08137	0.6
77.21610	0.4
79.05492	5.6
81.07050	10.7
83.04967	0.7
83.08607	1.7
85.06525	1.6
87.04446	1.2
90.82658	0.4
91.05470	3.2
93.07038	5.5
95.04940	1.1
95.08595	9.7
97.06532	2.4
97.10179	1.0
98.98458	100.0
99.08080	0.7
100.98865	0.6
101.05972	0.9
105.07008	2.7
107.04944	0.7
107.08577	4.6
109.06521	0.7
109.10158	4.3
111.08089	1.5
115.03924	0.8
115.07542	1.7
115.08284	0.5
116.99510	5.6
117.06987	0.9
119.08575	3.5
121.10131	5.4
123.04411	1.4
123.08057	1.1
123.11707	1.1
125.09618	0.6
131.04935	1.1
131.08569	1.7
133.10095	2.7
135.11694	3.2
137.05980	1.6
137.09593	0.6
140.01060	1.6
145.10114	1.6
147.11662	1.3
149.13187	2.3
151.07515	1.1
157.22182	0.5
159.07980	0.5
159.11681	1.2
161.13264	3.4
163.07570	2.0
163.14905	0.7
173.13310	0.5
174.99216	12.1
175.00673	0.9
175.07640	0.6
175.14737	0.6
176.98892	5.4
177.16444	0.6
178.05006	1.6
178.08604	0.5
179.14323	0.6
186.35921	0.6
187.14906	0.7
189.12811	0.6
192.10175	2.3
195.00032	0.5
197.15309	1.5
215.27461	0.4
216.01778	0.5
225.14865	1.4
229.19505	1.6
247.20551	1.5
251.00009	1.1
252.99748	1.9
265.21683	2.0
284.09872	0.6
284.12860	0.6
293.21185	3.6
296.09244	0.6
297.10138	0.9
298.11093	0.9
311.09180	0.9
311.12723	0.5
311.22076	0.9
314.10211	5.5
315.11197	4.0
329.06586	0.9
329.10162	1.0
329.16260	0.5
329.20993	0.7
329.24487	0.7
329.27890	0.9
330.13412	25.4
330.16898	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	328.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.3
66.11275	0.2
68.37862	0.2
69.03450	0.2
70.06577	0.8
71.42075	0.2
72.08152	1.3
84.08144	1.3
85.02903	0.4
85.89314	0.2
87.04427	0.2
96.08161	1.4
98.09689	3.1
98.98461	22.5
109.02879	0.3
110.09677	2.1
116.99490	0.9
122.09673	0.3
127.03945	0.4
136.11165	0.2
137.46254	0.2
147.04407	1.1
148.11208	1.0
150.12837	0.4
160.40608	0.2
162.12773	2.4
166.08641	0.3
171.01013	0.2
174.99219	3.3
175.99591	0.3
176.98897	1.1
188.14285	1.2
190.15897	0.2
202.15952	0.3
218.11743	0.2
228.17444	0.3
231.18523	0.7
233.20058	0.7
245.20126	10.4
246.20447	0.4
251.00009	0.5
252.99731	0.5
310.13043	0.3
328.27444	100.0
329.27768	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	328.2743
Annotation	Homo-6-epipodopetaline
Peak:m/z	Relative Intensity
53.78683	0.2
58.23819	0.2
58.75762	0.2
61.69684	0.2
63.00561	0.2
69.03414	0.3
70.06581	0.4
71.59811	0.3
72.08154	0.3
84.04501	0.2
84.08115	0.6
85.02920	0.4
91.05447	0.4
96.08134	1.3
97.02891	0.2
98.09693	1.9
98.98457	18.2
100.98874	0.2
110.09656	0.8
112.07581	0.2
116.99483	0.9
120.08096	0.6
122.09741	0.2
123.61713	0.2
127.03973	0.2
132.08072	0.4
134.09673	0.2
147.04359	0.2
148.07538	0.4
148.11200	1.1
150.05527	0.2
150.09091	0.2
150.12727	0.3
154.08760	0.2
162.12773	2.3
166.08617	0.4
167.06966	0.2
174.99213	2.0
175.99487	0.2
176.14418	0.2
176.98904	0.7
178.08554	0.2
188.14299	0.7
202.15846	0.3
231.18576	0.6
233.20076	1.1
245.20114	8.3
246.11261	0.2
246.20515	0.3
251.00044	0.2
252.99635	0.4
258.47559	0.2
264.12234	0.3
271.21780	0.2
279.78262	0.2
292.11731	0.3
297.11099	0.2
310.12845	1.1
328.27432	100.0
329.17242	0.2
329.21262	0.3
329.27762	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25994	0.2
59.62377	0.2
61.02901	0.2
64.30741	0.2
69.03416	0.3
69.93778	1.5
70.06580	0.7
72.08147	0.8
84.04470	0.3
84.08133	1.0
85.02905	0.7
93.07050	0.2
95.04984	0.3
96.08122	1.0
97.02900	0.5
98.09694	1.6
98.98458	49.5
99.98902	0.2
100.98856	0.3
104.17045	0.2
109.02869	0.3
110.09666	2.0
116.99478	2.5
127.03911	0.5
134.09622	0.2
136.11191	0.6
140.01070	0.5
147.04390	0.5
148.11182	1.1
162.12764	2.6
174.99205	5.3
175.99539	0.5
176.98912	2.3
178.08710	0.3
188.14322	0.7
198.11069	0.2
202.15961	0.3
214.15887	0.3
227.24115	0.2
231.18542	0.8
233.20064	0.6
235.28596	0.2
244.58170	0.2
245.20135	7.8
250.99992	0.4
252.99696	0.9
328.27432	100.0
329.17300	0.5
329.20859	0.5
329.27771	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88629	0.5
53.03938	0.7
55.01857	1.2
55.05500	6.8
58.06584	1.6
65.03939	0.7
67.05503	7.0
68.05823	1.2
68.99780	2.6
69.07063	69.4
69.98269	3.2
70.07392	18.3
79.05484	5.6
81.03421	0.6
81.07054	6.8
83.04946	1.2
83.08613	5.0
84.41251	0.6
91.05479	3.9
92.05807	0.7
93.07034	4.8
95.04945	4.1
95.08604	2.9
96.05292	1.5
97.06534	1.0
97.10168	8.4
98.09691	1.0
98.98457	96.8
101.93964	0.6
104.41076	0.6
105.07021	4.3
106.07369	0.6
107.04935	2.3
107.08591	8.9
109.06527	0.7
109.10156	1.1
116.99495	4.2
117.06993	1.1
119.08568	2.9
121.06505	2.1
121.10122	1.5
122.06853	1.5
123.04419	100.0
124.04752	52.4
125.04894	1.7
125.09615	6.6
131.08548	1.1
133.06514	0.9
133.10127	2.2
134.06857	0.7
135.04402	2.4
135.08035	1.3
135.11688	1.2
136.04761	1.3
137.05931	1.6
138.06342	1.2
140.01059	2.5
145.10103	2.1
146.10403	0.8
147.04451	0.7
147.11655	1.9
149.05962	12.0
149.09633	1.7
150.06311	8.3
151.03952	0.6
153.09137	0.7
161.05942	2.7
161.13206	1.3
162.06316	1.7
165.05484	1.3
171.11641	0.8
173.09583	1.5
173.13242	0.6
174.09981	2.5
174.99217	10.6
176.98920	3.9
179.14345	1.1
185.13261	0.6
189.11206	12.4
189.12881	0.8
190.95361	1.3
191.10655	24.7
192.10995	35.6
193.11186	1.3
200.58302	0.6
205.06525	0.7
205.12259	2.3
206.12593	2.9
208.96478	1.1
217.12193	0.9
218.12622	1.0
223.07475	0.9
232.96410	1.6
239.17943	1.3
245.20126	2.5
250.97554	1.3
250.99883	0.8
251.07056	1.2
252.99722	2.3
257.19028	2.0
258.08450	0.8
259.09750	1.2
260.10010	3.3
265.08505	0.8
271.09613	1.9
272.09995	7.3
273.10349	0.9
275.20081	13.7
280.95038	0.7
283.09680	1.8
285.09888	0.5
293.21130	2.0
328.08444	0.7
328.12140	1.1
328.15790	6.8
328.23627	1.3
328.27469	25.1
329.15298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05508	20.3
57.03423	2.6
59.04977	1.7
64.44856	1.1
65.03934	1.9
67.05498	35.2
69.03423	2.8
69.07063	13.0
69.77984	7.0
71.04983	3.7
79.05488	31.0
81.03439	1.4
81.07056	23.2
83.04975	16.3
83.08605	11.0
84.04498	3.8
85.02873	2.5
85.06533	2.1
91.05473	21.5
93.07033	29.4
95.04966	10.4
95.08595	19.4
97.02902	1.6
97.06525	2.2
97.10173	12.5
98.21429	1.5
98.98458	100.0
100.58710	1.4
104.82202	1.3
105.07028	13.5
107.08580	21.6
107.12117	1.5
109.06511	2.1
109.10154	16.5
111.04436	3.2
111.08031	3.0
116.99499	4.0
117.07021	3.4
119.08575	15.7
121.10126	18.3
123.08047	1.4
123.11650	1.9
125.09623	13.1
131.08537	5.6
133.10106	9.1
135.08044	3.8
135.11696	3.2
137.09598	6.3
139.11197	1.7
140.01077	1.7
143.08524	1.7
145.10121	4.7
147.11668	4.6
149.09621	4.0
149.13277	1.7
151.11208	1.9
155.10744	1.7
157.10144	2.3
159.11638	4.1
161.09615	2.1
161.13243	3.7
171.11739	1.4
173.11739	15.4
173.13120	3.0
174.99222	12.5
176.98907	4.4
189.11174	16.5
189.12688	2.1
211.13145	2.1
239.18083	1.8
245.20142	5.9
251.07019	1.9
252.99664	2.1
254.27589	1.5
257.18939	2.1
275.20062	20.0
293.21091	3.7
328.10645	3.9
328.15164	2.0
328.23608	2.9
328.27441	52.0
329.06247	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
53.43911	0.7
54.10144	0.7
55.01858	2.3
55.05509	21.5
57.03401	1.0
58.06577	1.3
59.04988	1.1
65.03899	0.8
67.05503	8.5
69.03426	3.9
69.07064	11.9
69.34016	8.0
79.05073	0.8
79.05493	13.5
81.07059	7.4
83.04964	2.5
83.08616	13.3
87.04473	0.9
91.05479	5.2
91.33837	0.6
93.07018	4.3
95.04952	0.7
95.08621	4.2
96.08141	1.0
97.06533	1.8
97.10165	34.8
98.09670	2.5
98.98460	74.0
101.09623	1.1
105.07041	7.0
107.04931	1.7
107.08590	37.3
108.08965	0.9
109.06505	1.9
109.10150	1.9
110.09682	1.9
111.08082	1.5
116.99487	3.9
117.06984	0.9
119.08588	2.8
121.10132	1.7
123.11719	0.9
125.08747	1.4
125.09628	24.3
126.56160	0.8
131.08594	1.2
133.10106	4.7
135.08058	3.1
136.11180	0.8
140.01036	1.3
143.08572	0.7
143.10637	1.1
145.10129	3.2
147.04416	1.0
147.11674	2.7
148.11183	1.6
149.09639	4.0
153.09103	2.6
159.11691	0.8
161.13252	1.5
162.12769	2.4
163.11113	0.9
171.10226	1.7
171.11670	0.9
174.99217	9.2
176.98918	4.0
179.14285	1.3
181.12221	2.9
183.51884	0.9
188.14265	1.1
189.11206	44.0
190.95447	1.2
199.13255	1.0
199.15062	0.7
208.96344	1.1
214.66370	0.7
229.19547	0.7
232.96507	1.0
233.20113	0.8
237.82570	0.8
239.17921	1.1
245.20139	9.8
250.97588	1.1
250.99953	1.3
251.07109	1.0
252.99657	1.9
257.18860	4.0
275.20053	40.5
283.09677	1.2
293.21118	4.7
328.08661	0.9
328.15857	3.9
328.27448	100.0
329.27859	1.0
336.01001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2888
Annotation	CHEBI:79184
Peak:m/z	Relative Intensity
55.01870	2.2
55.05505	16.0
57.03427	1.7
57.07064	5.8
58.06598	1.7
65.03941	1.5
67.05496	30.4
69.03439	1.2
69.07056	29.0
69.37295	3.9
69.37708	10.0
71.04967	2.7
71.08613	4.0
79.05482	14.1
80.37420	1.4
81.07046	80.4
83.04978	1.8
83.08610	13.8
85.06541	19.4
91.05460	6.7
93.07027	24.3
95.04977	2.1
95.08595	69.4
96.08926	1.5
97.06525	5.0
97.10149	10.5
98.98453	100.0
99.08079	15.3
105.07029	7.4
107.08577	31.5
109.06503	1.4
109.10146	41.7
111.08052	10.1
111.11703	4.9
113.09644	3.6
116.99499	3.2
119.08575	5.2
121.10131	18.3
123.04401	3.5
123.11692	23.6
125.09605	2.5
130.95715	1.3
133.10092	4.2
135.11673	15.7
137.05968	4.8
137.13248	7.5
139.11205	2.3
141.34892	1.3
147.11671	5.4
149.05957	1.7
149.13249	24.5
151.14787	3.2
153.12715	3.2
159.08041	1.9
161.09610	1.3
161.13214	2.3
163.07455	2.5
163.14809	11.1
165.06944	1.5
167.14323	3.9
171.13731	2.9
174.99165	16.6
175.14792	1.8
177.16400	5.5
185.15410	2.6
191.10667	2.6
191.17950	4.2
203.17963	2.6
209.18935	1.9
212.33911	1.3
217.19467	3.3
236.61351	1.2
247.24208	1.9
251.00032	2.7
261.25754	1.7
265.25320	2.3
273.25723	3.7
279.26865	3.0
291.19608	2.6
291.26752	15.3
295.09869	1.6
297.27737	2.7
309.27814	25.9
327.08502	6.7
327.12048	3.1
327.15952	2.8
327.28918	14.1
328.15527	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	327.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01887	0.8
55.05258	0.9
55.05509	12.2
57.07076	6.0
59.04993	0.8
59.66952	0.8
65.03945	1.3
67.05502	23.4
69.03423	1.2
69.07066	24.2
71.04954	1.3
71.08625	1.1
72.08146	1.8
79.05493	12.6
81.03413	1.3
81.07055	75.7
83.04964	0.8
83.08611	9.7
84.08151	0.9
85.06541	19.0
85.10171	1.1
91.05476	10.2
93.07041	22.6
95.04957	2.4
95.08604	58.5
96.08929	0.8
97.06511	2.2
97.10178	8.6
98.09690	0.8
98.98463	100.0
99.08095	13.0
103.05473	0.8
105.07037	10.1
107.04990	0.8
107.07857	1.3
107.08590	24.3
109.06509	0.9
109.10152	39.9
111.08065	3.8
111.11712	5.5
113.09657	6.1
116.99483	3.6
119.04953	4.6
119.08577	6.9
120.04291	0.7
121.10135	16.3
123.04395	0.9
123.11707	26.4
125.09610	3.6
125.13258	1.5
127.03926	1.1
127.11163	1.5
131.04950	1.0
133.06544	1.5
133.10123	5.8
135.11700	15.1
136.12016	0.8
137.05971	4.8
137.13263	9.5
139.11166	2.7
140.01114	1.0
141.12733	0.9
145.10091	0.9
147.04416	5.2
147.11671	4.2
149.13246	22.4
151.14795	2.8
153.12752	1.7
155.09689	0.8
155.14372	1.3
161.13206	4.1
162.12804	1.0
163.07605	1.8
163.14824	15.2
165.16411	1.5
166.69601	0.7
167.14307	1.7
174.99222	16.1
175.00618	1.1
175.03882	6.5
175.14832	2.2
177.16380	8.6
179.17873	1.7
181.15880	1.1
189.16365	1.9
190.56639	0.7
191.17935	4.3
192.69382	0.8
195.17468	1.9
197.18982	1.8
203.18016	2.9
205.19516	1.7
207.06517	15.7
207.08334	1.1
209.19020	1.9
217.19525	4.3
223.20601	1.7
231.21101	1.0
235.07652	0.9
235.20605	2.4
245.20178	2.4
247.24323	1.5
251.00116	2.5
265.25314	1.4
273.25793	5.2
279.26962	1.3
291.26779	12.6
295.09851	1.3
309.07629	1.0
309.27856	5.7
312.06500	0.9
327.08627	9.0
327.12408	2.8
327.17783	2.8
327.26025	1.3
328.08664	1.2
328.15469	2.1
328.27460	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00711	0.5
55.01861	0.8
55.05501	5.8
57.03433	0.9
57.07069	2.2
58.06576	2.0
59.04980	0.8
66.96980	0.5
67.05166	0.8
67.05495	11.1
69.03407	1.6
69.07057	11.6
70.04067	0.8
70.15523	1.9
71.04964	0.4
71.08611	0.7
72.08160	0.8
75.80303	0.5
79.05482	5.9
81.03409	0.5
81.07043	28.5
83.04969	0.8
83.08607	5.7
84.08121	1.0
85.06522	3.3
91.05470	3.6
93.07030	11.4
95.04955	1.4
95.08592	24.9
96.08904	0.5
97.02876	1.5
97.06528	1.7
97.10163	2.8
98.02361	0.5
98.98450	100.0
99.08073	3.5
101.06022	0.6
103.05452	2.0
105.07021	4.4
107.04948	1.2
107.08575	10.9
109.02855	1.0
109.06496	1.8
109.10139	25.1
110.10485	0.5
111.08076	2.3
111.11709	1.8
116.99463	4.5
117.06995	0.9
119.04974	0.6
119.08585	1.9
121.06467	1.5
121.10120	8.8
122.03639	1.1
123.04426	3.0
123.08047	0.8
123.11694	8.6
124.07584	0.5
125.09618	1.3
125.13200	0.5
127.03904	0.8
131.04927	1.8
131.08519	0.9
133.06471	3.5
133.10124	1.9
135.04338	0.6
135.08022	1.3
135.11665	8.7
137.05960	12.0
137.09584	0.6
137.13264	3.7
138.06352	0.5
139.11212	2.2
140.01060	1.4
145.06490	0.9
145.10002	0.6
146.66049	0.4
147.04364	0.8
147.11662	1.4
149.06003	0.8
149.13229	7.6
151.03854	0.7
151.07573	1.5
151.14803	1.8
153.12737	1.2
157.06544	0.5
157.10051	0.6
161.05948	1.1
161.13251	1.2
163.07520	6.3
163.14792	4.5
165.05505	0.5
165.09143	0.7
165.16370	1.4
166.08633	1.0
167.14281	1.1
171.11676	0.6
173.13138	0.5
174.99213	17.4
175.07510	1.1
175.14804	1.0
177.05484	0.8
177.16364	3.1
179.17944	0.7
181.04945	0.7
181.06503	0.5
189.08919	0.7
189.16396	1.0
191.10699	1.0
191.17911	1.6
202.10582	0.6
203.18016	1.4
205.19595	0.8
206.07112	0.6
207.08089	0.9
217.08505	0.7
217.19548	1.8
225.09029	0.8
226.91611	0.5
234.06718	0.9
235.07588	0.8
237.09114	0.8
247.24174	1.0
249.09186	0.6
251.00049	3.2
251.07051	0.8
261.25677	2.2
264.07584	0.6
265.08557	1.1
267.10120	0.9
273.25723	3.5
277.08524	1.0
279.26883	1.2
281.08087	0.5
281.11871	0.7
283.09622	1.0
291.09528	0.5
291.26807	5.0
295.09631	0.7
295.13269	1.3
297.11063	0.8
309.07660	1.1
309.11176	1.3
309.27789	3.0
310.28445	0.5
312.06250	1.0
327.05151	0.8
327.08578	7.3
327.12357	3.8
327.15692	1.6
327.23141	1.1
327.28976	0.7
328.08752	0.8
328.15729	2.5
328.27509	1.1
343.42615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03932	4.4
55.01866	2.7
55.05500	6.3
57.03419	2.6
57.07063	4.3
67.05500	18.5
69.07067	8.6
69.92048	7.7
71.04984	2.0
79.05490	13.1
81.03410	2.8
81.07053	22.3
83.04989	2.2
83.08610	2.8
85.06522	2.3
91.05473	19.2
93.07036	46.0
95.04961	49.3
95.05551	2.9
95.08598	35.4
97.06522	15.5
98.98460	100.0
103.05484	1.4
105.04570	1.6
105.07028	35.6
107.08591	20.6
109.06518	8.8
109.10158	13.1
115.05444	2.8
116.06269	1.3
116.99512	5.0
117.07021	9.0
119.08569	38.4
121.06492	10.2
121.10132	22.8
123.04404	1.4
123.08066	7.5
123.11710	5.5
128.06194	2.6
128.24580	1.5
129.06992	5.7
130.07814	3.2
131.08549	17.9
133.06465	1.7
133.10117	26.1
134.10461	1.8
135.07983	6.4
135.11685	6.6
137.09630	1.9
139.11153	1.9
140.01062	1.5
141.06970	2.8
142.07822	6.8
143.08540	12.7
144.09349	4.7
145.10126	23.7
147.08089	2.1
147.11678	9.9
149.09644	2.2
149.13257	1.7
152.06206	3.7
153.06964	4.6
155.08560	4.7
156.09348	4.0
157.10101	20.2
158.10889	3.3
159.08110	3.0
159.11678	24.6
161.09621	8.7
161.13235	4.1
163.11221	2.6
167.08582	2.4
168.09280	1.5
169.10098	8.1
170.10809	2.5
171.11655	10.4
173.09599	2.4
173.13245	10.9
174.99225	15.2
175.14806	10.4
179.08647	2.0
181.10175	3.9
182.10947	1.7
183.11708	5.6
185.13301	4.9
187.11212	5.1
187.14731	9.7
189.12686	3.0
189.16373	3.6
193.10143	2.6
195.11778	3.1
197.13286	6.2
199.14842	6.3
201.16449	2.7
207.11755	2.3
209.13231	4.9
211.14799	3.9
213.16405	3.3
215.14299	2.2
217.15910	3.4
221.13199	2.2
223.14648	1.6
225.16380	2.0
227.14375	2.0
229.15865	2.2
233.03638	2.9
235.14763	3.1
235.16972	1.4
249.16335	1.8
251.00024	3.1
251.04710	2.2
253.15942	2.3
265.19479	1.8
283.20419	1.4
291.20978	2.9
309.22104	5.9
327.07788	17.7
327.23145	7.0
328.27328	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01872	1.1
55.05500	4.6
57.03411	0.9
57.07063	3.0
63.25550	0.7
67.05502	8.6
68.33372	0.8
69.07063	6.3
69.39812	7.7
71.04975	0.7
79.05477	5.6
81.03407	1.7
81.07055	10.7
83.04979	1.0
83.08598	2.5
85.06528	0.9
91.05467	12.8
93.07036	23.2
95.04961	23.8
95.08601	15.8
97.06510	8.0
98.98458	100.0
103.05478	1.6
105.07020	18.6
107.04917	0.9
107.08582	11.8
109.06493	3.8
109.10157	8.3
116.99521	3.5
117.07024	5.1
119.08575	19.5
121.06522	5.9
121.10120	10.6
123.04424	0.9
123.08026	4.1
123.11694	2.5
128.06206	1.4
129.07004	2.7
130.07770	2.2
131.08553	7.3
133.10121	14.1
135.08055	3.4
135.11685	3.5
137.09642	2.2
140.01068	1.7
142.07788	2.9
143.08586	5.3
144.09361	1.5
145.10118	10.6
147.08003	0.9
147.11632	3.8
149.09618	2.0
149.13312	1.0
153.07008	0.9
155.08577	2.8
156.09351	2.4
157.10133	10.0
158.10901	1.4
159.08084	1.2
159.11694	12.8
161.09601	3.7
161.13283	2.2
165.06816	1.0
169.10121	5.6
170.11060	0.9
171.11711	4.5
172.12328	0.8
173.09648	1.3
173.13252	4.6
174.99214	16.5
175.11288	0.9
175.14807	8.4
181.10060	1.4
183.11662	3.0
185.09727	0.9
185.13261	2.4
187.11201	3.1
187.14816	5.5
189.16484	1.0
193.10233	0.9
195.11772	2.0
197.13205	4.2
199.14809	3.1
201.16405	1.8
207.11722	1.2
209.13248	2.5
211.14795	3.2
213.16463	1.2
215.14400	1.3
217.15907	2.6
221.13266	0.9
223.14973	1.7
225.16443	1.6
227.14256	1.3
229.15976	0.8
233.03734	0.9
235.14743	1.4
236.64310	0.8
237.16457	1.1
243.94806	0.8
245.19814	0.9
251.00095	3.1
253.15919	1.1
281.22784	1.0
291.21036	0.9
309.22098	2.4
327.07822	3.7
327.17422	1.1
327.23181	5.5
327.26544	1.2
328.15366	1.0
328.27524	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	327.2163
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03933	0.4
55.01862	1.1
55.05259	0.4
55.05508	5.3
56.94094	0.3
57.03426	0.6
57.07066	0.6
58.06583	1.1
59.04987	0.3
67.05499	4.6
69.03407	1.5
69.07057	2.4
70.41741	1.4
71.04989	0.3
77.01591	0.4
79.05489	3.6
81.03403	1.2
81.07050	7.0
83.04964	1.4
83.08612	3.2
85.06554	0.8
91.05469	2.6
93.07039	5.5
95.04973	4.7
95.08602	5.0
97.02882	0.5
97.06532	0.9
97.10162	5.5
98.98456	100.0
103.05444	0.7
105.07027	3.6
107.04929	0.7
107.08596	3.3
109.02887	0.4
109.06487	0.9
109.10142	2.2
111.08077	1.0
116.99489	4.7
117.06999	0.8
119.04933	1.1
119.08562	2.9
121.06479	0.9
121.10126	3.1
123.04411	3.8
123.08056	11.1
123.11664	1.9
124.04780	1.0
125.04943	0.7
125.09628	3.3
129.06995	0.8
131.04916	1.0
131.08488	0.8
133.06450	0.8
133.10114	1.8
135.08038	0.8
135.11592	0.6
137.05989	2.7
137.09634	1.1
137.13248	0.4
139.11157	0.5
140.01074	1.5
143.08553	0.7
145.06471	0.7
145.10124	1.2
147.04395	1.4
147.08051	1.2
147.11659	0.8
149.05983	0.9
149.09631	0.6
149.13249	0.7
151.07552	0.6
151.11142	0.5
153.09105	0.5
155.08623	0.4
157.10048	0.8
159.11659	0.9
161.13313	0.5
163.07535	1.0
163.11194	0.5
163.14807	0.4
165.01697	0.4
165.09108	1.3
169.12245	1.5
171.10254	0.4
171.11646	0.7
174.99216	14.2
175.03882	1.1
175.11125	0.5
185.13280	0.4
187.13306	1.9
189.09454	0.6
189.11203	4.4
189.12712	0.6
191.10716	0.5
207.06519	2.4
211.13219	0.6
223.07687	0.5
223.13229	0.7
224.02628	0.3
227.18271	0.4
241.26628	0.4
250.99976	2.4
251.06964	0.8
255.06560	0.6
260.06683	0.3
267.06360	0.4
271.09317	0.3
273.18497	4.4
273.25681	0.5
281.11508	0.4
283.09525	0.4
291.19489	6.8
291.22470	0.6
291.26672	0.4
292.19913	0.5
295.09479	0.3
297.11047	0.4
309.07516	1.7
309.11264	1.3
309.20703	2.3
312.06113	1.1
312.12173	0.4
327.04849	0.6
327.08569	4.4
327.12344	1.2
327.15457	1.1
327.23022	1.2
328.12134	0.6
328.15344	2.1
328.27432	5.0
348.99420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1588
Annotation	Broussinol
Peak:m/z	Relative Intensity
55.01862	0.4
65.03938	0.3
67.05506	2.2
68.99774	1.7
69.07060	53.5
69.37074	0.2
69.38124	1.4
69.38559	1.3
69.39912	0.2
70.07393	0.5
70.80385	0.2
79.05483	1.0
81.07051	1.3
91.05468	1.2
93.07024	0.6
93.35183	0.2
95.04957	3.0
95.08618	0.3
97.89582	0.2
98.98457	29.1
103.05474	0.4
105.07031	1.0
107.04944	1.4
116.99511	1.3
121.06480	1.6
121.47147	0.3
123.04414	100.0
124.04760	1.7
133.06464	1.2
135.04419	2.7
137.05960	0.9
140.01036	0.7
141.17070	0.2
145.10094	0.8
147.04411	1.1
148.04726	0.3
149.05969	14.1
149.09575	0.4
150.06342	0.8
153.05396	0.3
161.05991	2.3
163.07550	0.3
173.09598	2.5
174.99202	4.6
191.10652	40.0
191.40419	0.3
192.10959	1.8
203.10579	0.4
204.10934	0.3
205.12216	3.2
216.03754	0.3
217.12192	1.1
251.00003	0.5
253.08510	0.3
257.08008	0.8
259.09717	3.1
271.06851	0.4
271.09610	7.1
272.09912	0.8
302.05063	0.2
327.08377	1.1
327.15820	3.3
328.27332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
55.05509	2.3
56.96534	0.8
58.06303	1.2
58.06593	22.1
59.06912	0.8
67.05500	12.3
68.99800	1.6
69.03419	1.7
69.07056	4.9
70.16732	2.1
70.17146	1.4
71.04980	2.5
79.05490	5.5
79.05910	0.9
81.03407	1.0
81.07043	14.5
83.04980	2.5
83.08602	1.6
85.02872	0.8
85.06522	1.5
87.46027	0.6
91.05469	10.2
93.07034	6.6
94.07359	0.7
95.04964	2.1
95.08607	3.0
97.06532	0.7
97.10160	0.9
98.21419	1.0
98.98454	100.0
99.04475	1.6
99.08101	0.7
105.07015	14.6
106.07369	0.9
107.04961	1.5
107.08573	12.2
109.06476	2.2
109.10146	21.3
110.10532	0.8
111.08041	0.7
113.05990	1.4
116.99496	6.9
117.07031	1.0
119.08583	2.2
120.08845	0.7
121.06498	2.4
121.10117	2.3
122.06825	1.1
122.10555	0.8
123.04416	12.8
123.08054	1.4
123.11701	4.3
124.04739	5.9
127.07495	1.0
131.08559	1.1
133.06485	0.7
133.10109	27.2
134.10500	0.9
135.08093	0.9
135.11682	0.9
140.01059	2.9
143.08548	1.2
144.08911	0.9
145.10094	0.9
147.08104	0.9
149.05966	6.5
150.06300	6.0
151.09946	1.0
151.11169	19.3
159.11693	1.1
161.09648	2.0
162.06282	0.8
162.10008	1.0
163.11258	0.8
169.12212	7.1
172.08365	1.1
174.06752	1.4
174.99200	16.7
175.07140	1.9
179.10628	1.5
189.09064	5.8
190.09422	8.1
203.10658	1.7
204.11050	2.6
215.10895	0.7
215.12825	2.6
216.11093	0.9
227.18271	0.7
235.07603	1.1
245.18858	1.0
250.99930	3.3
263.07086	2.1
263.20026	1.4
265.08557	1.7
267.08762	0.7
267.98187	1.9
268.97568	1.2
273.18561	2.5
291.19403	4.9
294.07657	2.6
295.10007	3.6
296.09219	1.2
308.08987	1.2
308.23395	0.7
309.09787	3.5
310.07065	1.1
310.10184	4.6
311.11252	1.9
325.63235	1.7
326.10385	1.3
326.14462	22.3
327.14908	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2734
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03930	1.9
55.01852	1.2
55.05261	1.2
55.05510	18.8
56.75128	0.9
57.03425	1.7
57.07067	4.8
58.06595	8.0
59.05010	1.9
61.05191	1.0
67.05503	24.9
68.99802	1.1
69.07060	28.2
69.56803	6.0
69.57213	2.2
71.04988	6.5
71.08620	2.1
73.06544	1.1
79.05483	10.2
81.07050	67.9
83.04983	3.2
83.08609	17.7
85.02890	1.2
85.06535	4.0
85.10184	1.3
91.05470	5.5
93.07039	27.5
95.04980	2.4
95.08601	69.2
96.08945	1.0
97.06523	4.2
97.10171	12.4
99.08095	2.3
102.39797	1.0
105.07005	9.2
107.08585	29.5
109.06506	4.4
109.10145	42.0
111.08080	12.7
111.11699	5.6
113.09646	1.7
115.07539	1.1
119.08571	8.7
121.06484	1.1
121.10129	21.8
123.04428	11.2
123.08066	8.6
123.11697	31.3
123.12573	2.0
124.04726	0.9
125.09666	3.0
125.13279	2.1
127.07543	3.5
131.08571	1.9
133.10126	7.2
135.08075	2.0
135.11682	14.4
135.63602	1.0
136.45547	0.9
137.09619	3.6
137.13249	9.0
139.11177	1.2
143.08531	1.2
143.10698	1.0
145.10115	3.8
147.11682	6.1
149.05997	5.7
149.13245	13.3
151.11209	4.3
151.14818	5.0
151.83473	1.0
157.10100	1.3
159.11696	5.4
161.05991	1.1
161.09554	1.8
161.13220	7.7
163.11171	1.3
163.14810	14.2
165.12753	5.9
165.16425	4.6
173.13242	2.3
174.06801	1.6
175.14810	4.5
177.12770	2.0
177.16347	4.1
179.14267	1.8
179.17935	3.7
181.15912	1.3
187.14818	2.3
189.09090	6.2
189.16356	3.1
191.17952	3.5
193.15916	1.8
201.16345	1.8
203.10646	2.5
205.15857	1.2
207.17485	1.7
215.17958	1.7
225.18405	1.1
229.19489	1.3
231.21031	1.1
233.18896	1.3
251.20099	1.2
261.25748	6.4
271.24225	6.1
279.26801	4.9
289.25259	22.2
307.26288	100.0
308.26660	1.5
309.10001	2.8
310.10504	1.5
325.07367	1.8
325.14349	8.8
325.21585	1.5
325.27417	18.7
326.14127	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	325.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01859	2.3
55.05505	18.7
57.03428	0.9
57.07069	9.3
58.06597	11.0
59.04992	0.8
59.06926	0.6
65.03925	1.7
67.05497	12.8
68.99786	11.8
69.03424	4.9
69.07062	42.0
71.04984	3.1
71.08627	3.2
77.03918	1.1
79.05487	9.7
81.03407	2.5
81.07050	42.6
83.04971	15.1
83.08137	1.3
83.08610	17.0
85.02895	2.3
85.06534	3.9
85.10178	1.5
91.05471	11.2
93.07037	18.2
95.04973	7.7
95.08598	27.3
97.02866	1.8
97.06536	8.0
97.10164	11.0
99.04440	0.9
99.08088	2.5
103.05466	5.2
105.03387	0.8
105.07024	14.8
107.04940	5.8
107.08582	14.4
108.39992	0.7
109.02882	1.4
109.06498	4.3
109.10146	18.5
111.08089	3.7
111.11714	7.7
113.09619	1.1
115.05434	2.1
115.07556	1.5
117.07009	3.0
119.04931	1.9
119.08580	10.6
121.06492	11.0
121.10136	15.4
123.04419	100.0
123.08043	3.1
123.11703	7.8
124.04759	3.5
125.06015	1.0
125.09639	2.1
125.13258	2.4
127.03889	1.4
127.11194	1.1
128.06198	3.0
129.06992	1.6
129.12752	0.8
130.07777	0.8
131.04889	1.9
131.08574	4.5
133.06499	5.9
133.10127	8.6
134.03619	1.6
135.04390	2.0
135.08043	2.2
135.11674	8.3
137.05910	1.1
137.09615	2.1
137.13222	2.7
139.11171	2.6
141.06949	1.1
142.07782	0.9
143.08563	7.0
145.06517	3.6
145.10107	6.0
146.07285	1.3
147.04376	5.6
147.08028	2.7
147.11697	4.2
149.05968	45.0
149.09604	1.7
149.13260	6.3
150.06323	1.7
151.07539	1.7
151.11143	1.0
151.14812	0.8
153.12762	1.4
157.06436	1.1
157.10239	1.3
159.07974	1.5
159.11650	4.5
160.05151	1.4
161.02342	2.0
161.05975	8.0
161.09605	7.4
161.13252	3.2
163.03886	5.7
163.07526	1.0
163.11139	2.1
163.14793	1.7
165.06917	0.8
165.09145	1.1
165.12788	1.0
167.03395	1.3
167.08592	0.8
167.10724	1.0
169.10069	0.9
171.08044	11.5
173.05975	2.1
173.09608	1.0
173.13293	1.8
174.06740	9.9
175.07497	2.3
175.11154	1.9
175.14809	2.6
176.01022	1.6
177.01862	1.2
177.12787	1.1
187.07533	2.5
187.11127	1.8
187.14757	1.8
189.05493	5.7
189.09087	54.5
189.16318	0.9
190.09444	4.0
191.03360	6.2
191.17932	4.8
194.02139	1.8
197.06013	1.1
197.09601	0.8
199.07623	1.6
199.14719	0.7
200.08363	1.4
201.16336	0.8
203.07034	1.8
203.10657	17.9
203.17912	1.2
204.11050	1.9
205.19452	2.1
209.18977	3.9
215.07094	2.0
215.10631	4.6
215.17995	1.0
227.07001	3.0
240.04166	2.4
241.08569	1.1
245.22653	1.0
253.04944	2.6
254.05771	1.1
255.06526	7.2
261.25815	1.0
263.16437	1.1
265.04993	2.6
265.08685	0.9
269.08035	2.2
271.24216	2.3
279.26898	1.5
283.06030	1.5
283.09619	1.2
289.10263	0.9
289.17889	1.3
289.25220	4.2
293.04477	1.2
293.08005	0.7
293.12051	0.8
294.07593	2.3
295.06195	1.0
295.09796	1.4
297.07663	0.9
307.06143	0.9
307.18976	1.2
307.26306	5.4
309.09894	4.6
310.04782	5.9
310.10281	1.5
325.07050	59.6
325.10681	8.3
325.14328	48.0
325.20404	1.7
325.24756	1.4
326.07449	6.8
326.10815	1.5
326.14502	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	325.2734
Annotation	14,15-Dihydro-14,15-dihydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.98512	2.1
55.05507	21.2
57.07079	9.8
65.89281	1.9
67.05503	34.5
69.03423	8.8
69.07064	44.1
71.05001	5.2
71.08627	2.9
71.63706	3.2
72.08149	2.4
79.05491	24.4
81.03408	5.4
81.06573	5.0
81.07053	91.9
83.04962	4.1
83.08614	18.3
85.02912	4.2
85.06538	16.5
91.05473	18.0
93.07038	48.1
95.04959	8.1
95.08604	100.0
97.06529	5.5
97.10162	12.5
99.08094	7.4
105.07024	28.9
107.08582	40.4
109.02866	3.2
109.06511	5.1
109.10147	53.5
111.08066	9.1
111.11702	5.9
113.09594	3.6
117.03414	1.9
117.07001	2.8
119.08583	25.6
120.29426	2.1
121.06499	2.6
121.10133	35.0
123.04450	7.2
123.08056	2.7
123.11696	25.0
125.09600	5.4
125.13206	2.5
127.03947	3.2
127.11133	3.5
131.06143	2.0
131.08565	8.7
133.02795	2.3
133.10129	22.2
135.04459	4.5
135.11691	25.2
137.05957	2.9
137.09599	7.0
137.13231	9.7
139.11139	4.9
143.08542	3.4
145.02873	4.1
145.10132	9.6
147.04393	4.8
147.11707	17.5
149.05966	3.9
149.09689	2.3
149.13257	23.9
151.11171	5.7
151.14807	4.4
155.10640	4.4
159.11731	9.8
161.13275	14.5
163.03893	24.8
163.14830	12.6
165.12790	7.5
165.16443	2.7
173.13287	6.5
175.14822	8.5
177.16367	6.7
179.17986	4.1
181.15871	2.3
187.14796	5.5
189.09163	2.8
189.16360	6.7
191.17984	3.7
201.16428	6.7
203.17850	2.1
215.17964	7.4
217.19478	2.0
221.18983	2.3
245.22650	3.5
250.06024	2.4
259.24219	3.7
263.23663	2.6
271.24200	20.9
277.25314	4.6
289.25211	30.8
293.08148	2.2
295.26276	2.8
297.07477	2.3
303.37735	2.3
307.26279	22.9
325.06973	21.3
325.10678	7.8
325.19751	4.6
325.27448	18.2
326.07437	2.8
326.11249	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	325.2734
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03954	1.7
55.01867	1.4
55.05256	1.6
55.05506	19.1
57.03423	2.9
57.07068	8.6
58.06584	1.9
59.04994	1.3
65.03951	1.7
67.05501	40.8
67.30994	1.0
68.99809	1.2
69.03411	3.8
69.07059	36.9
69.60300	2.4
69.60715	5.4
70.73833	1.0
71.04994	5.5
71.08630	3.3
77.03864	1.1
79.05492	22.1
81.03405	3.7
81.07049	100.0
82.07376	2.1
83.04971	6.6
83.08608	14.1
85.02904	1.7
85.06541	14.0
85.10187	1.5
91.05476	17.2
93.07037	47.6
95.04969	13.3
95.08601	88.7
96.08948	1.0
97.02904	1.4
97.06530	8.2
97.10155	10.6
99.08083	8.0
103.05459	1.9
105.07018	30.3
107.04929	2.1
107.07855	2.1
107.08582	40.1
109.02902	1.4
109.06495	6.3
109.10143	46.9
111.08086	8.4
111.11729	6.5
113.09611	1.6
117.06995	3.9
119.07776	1.8
119.08569	22.5
121.06493	2.3
121.10133	36.2
123.04417	14.9
123.08038	6.7
123.11699	21.8
125.09605	3.7
125.13235	1.5
127.03902	1.7
127.07524	1.3
127.11153	2.5
131.04945	1.5
131.08525	8.3
131.09326	0.9
133.02861	3.6
133.10124	19.0
135.04372	2.1
135.08058	2.1
135.11674	24.2
135.58849	1.1
137.05980	3.3
137.09595	10.8
137.13223	6.6
139.11189	7.7
143.08502	2.6
145.10112	11.5
147.04436	2.7
147.11678	16.2
149.05940	5.8
149.09540	1.1
149.13243	21.2
151.11172	3.6
151.14835	3.2
153.12738	2.7
155.10661	1.8
159.11682	12.2
161.13252	11.9
163.03925	8.5
163.11224	1.2
163.14827	11.4
165.12730	6.4
165.16289	1.4
171.11813	1.2
173.06078	1.2
173.13237	5.3
175.07458	1.5
175.14821	10.1
177.16406	6.0
179.14294	1.9
185.15324	1.8
187.14847	3.4
189.09096	3.8
189.16399	6.5
191.17947	2.6
193.15984	1.4
194.02068	1.8
195.17398	1.6
201.16362	4.2
203.10652	2.3
203.17969	2.5
207.17453	2.1
213.18393	2.0
215.17912	3.6
229.19551	2.6
231.21106	2.0
233.19054	1.3
243.21100	1.9
245.22621	2.1
253.04839	1.9
259.24179	1.8
263.23758	1.7
265.04883	2.2
271.24191	18.5
277.25281	2.3
289.25259	27.0
293.04410	3.2
293.07846	1.7
295.26395	1.9
307.26276	23.9
310.04663	3.7
325.03299	0.9
325.07013	20.6
325.10709	3.6
325.13989	7.3
325.27426	20.1
326.07343	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	325.2734
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03930	2.6
55.05269	1.3
55.05510	17.4
57.03410	2.1
57.07077	8.9
65.03910	1.7
67.05501	39.0
68.82168	1.3
69.03403	2.1
69.07063	36.1
70.38226	4.5
70.38637	2.5
71.04969	2.8
71.08621	3.0
74.69127	1.3
79.05489	22.1
81.03380	1.3
81.07050	100.0
83.04977	1.9
83.08608	16.7
85.06543	14.4
91.05463	18.7
93.07034	47.4
95.04967	3.7
95.08601	92.1
96.39776	1.3
97.06526	4.8
97.10165	15.3
99.08076	9.2
105.07013	29.8
107.08586	38.5
109.06516	3.3
109.10146	50.0
111.08070	6.2
111.11699	7.5
113.09616	4.5
117.07001	3.2
119.08569	25.1
121.06485	1.7
121.10139	33.0
123.04401	7.2
123.08047	4.9
123.11699	23.4
125.09584	3.4
125.13242	2.6
127.07590	2.5
127.11192	2.3
129.09102	2.7
131.08568	8.4
133.02823	1.6
133.09109	1.7
133.10115	21.9
135.08029	1.7
135.11682	29.4
137.09619	8.5
137.13239	11.0
139.11125	3.7
141.09076	1.5
145.10118	12.6
147.11676	23.4
149.05940	2.2
149.13243	26.9
151.11168	4.3
151.14777	3.7
151.61241	1.5
153.12700	2.1
155.03474	1.3
155.10660	5.6
159.11687	9.5
161.13271	15.1
163.03882	3.0
163.11172	2.4
163.14830	9.3
165.12726	7.3
165.16362	3.6
167.14406	1.4
171.11577	1.5
173.13274	5.6
175.14812	9.5
177.16389	5.8
179.14282	3.7
179.17915	2.0
183.13788	2.3
186.33499	1.3
187.14784	7.2
189.09048	1.7
189.16333	9.9
191.17886	2.8
193.15851	2.2
197.18895	2.1
201.16438	3.5
203.17918	3.1
207.17447	3.5
215.17929	7.0
217.19400	1.6
219.17365	1.7
229.19426	1.8
231.21068	1.9
247.24222	2.2
263.23676	3.5
271.24155	22.1
277.25259	5.8
278.29813	1.3
289.25247	37.1
295.06009	2.5
295.26276	3.2
297.11066	1.8
307.26306	27.3
325.06897	5.7
325.10611	8.3
325.14337	5.6
325.27402	14.3
326.11008	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	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03926	1.7
55.01854	1.8
55.05504	18.9
57.03430	1.5
57.07064	7.2
58.06600	4.0
58.26687	0.9
59.05013	1.3
59.95506	1.1
60.09011	0.9
65.03927	2.4
67.05498	40.2
69.03413	4.0
69.07060	35.9
70.06598	1.6
71.04977	4.3
71.08617	4.7
72.08126	2.7
79.05485	23.5
81.03406	3.7
81.07050	76.9
82.07342	1.3
83.04967	4.4
83.08604	16.9
85.02920	2.7
85.06532	5.9
85.10237	1.6
91.05469	19.6
93.07035	44.5
95.04976	8.2
95.08598	100.0
96.08920	1.3
97.02872	2.4
97.06520	4.4
97.10164	9.8
98.20664	1.6
99.08059	3.3
103.05437	1.4
105.07017	23.9
107.04948	2.8
107.08579	30.2
109.02845	2.1
109.06526	4.2
109.10143	51.3
111.08046	5.3
111.11709	6.2
117.07016	3.1
119.04946	1.3
119.08577	21.7
121.06535	2.8
121.10132	35.1
123.04423	5.6
123.08056	3.7
123.11703	19.8
125.02311	1.2
125.09625	3.9
125.13303	1.8
127.03905	1.7
127.07561	2.4
131.08568	11.9
133.02820	3.6
133.10133	17.5
135.04425	1.6
135.08041	2.3
135.11671	22.3
137.05928	3.3
137.09595	10.5
137.13242	7.5
139.11159	6.2
145.10127	13.6
147.04379	1.8
147.11671	16.8
149.05905	1.8
149.13239	21.1
149.14357	2.2
151.03979	1.6
151.11142	2.9
151.14874	7.1
153.12729	2.3
155.10657	4.0
159.11664	10.1
161.09586	1.6
161.13231	13.0
163.03912	8.6
163.11198	2.1
163.14815	12.0
165.12691	6.3
165.16403	1.3
166.93259	1.0
169.12247	1.8
173.13255	8.6
175.03914	1.4
175.14845	8.7
177.12750	1.2
177.16385	4.1
179.14233	3.2
179.18013	1.6
181.05000	3.1
181.12291	1.3
187.14786	4.3
189.09077	3.7
189.16365	6.5
191.17871	1.7
199.36870	1.1
201.16400	4.2
203.17950	1.8
205.06493	1.1
205.15825	1.6
207.17497	2.1
215.07104	1.1
215.18015	5.7
223.20544	1.1
229.19539	2.0
229.23210	1.1
231.21078	1.8
233.06033	1.3
237.09096	1.6
245.22662	3.2
247.24165	2.7
253.05023	1.7
257.28088	1.3
259.24240	3.8
261.22366	1.1
261.25787	1.9
263.23734	2.7
265.04965	1.2
265.08414	1.6
269.07941	2.0
271.24176	34.5
271.26981	2.2
277.25156	5.3
279.06299	1.5
283.06122	1.4
289.25214	24.6
293.04532	1.7
293.08081	3.0
295.26340	1.8
297.07660	1.7
307.26245	19.0
309.09995	2.1
310.04657	2.7
325.07019	18.2
325.10669	10.7
325.14255	3.7
325.19867	1.3
325.27460	8.8
326.07706	6.8
326.11029	1.9
326.25711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24907	0.4
55.01865	0.5
55.05512	1.1
56.05032	0.6
56.96569	1.6
57.03426	0.9
58.06606	1.3
61.02928	0.9
67.05472	0.4
69.03428	1.3
69.64342	0.9
69.64764	1.7
70.06586	2.5
71.05006	0.4
72.08157	5.0
73.02901	0.9
76.56413	0.3
81.03423	0.7
81.07059	0.6
82.06572	0.8
82.94601	0.4
84.08131	2.3
85.02899	3.2
86.06071	0.9
86.09700	1.1
87.04469	0.5
88.07600	0.3
89.10796	0.9
91.05495	0.5
93.06993	0.4
94.06552	4.6
96.08145	3.2
97.02902	1.3
97.06509	0.4
97.08894	0.5
98.06053	2.2
98.09691	1.2
98.21407	0.7
98.97559	1.6
99.04420	0.4
100.07615	1.0
100.99136	0.5
102.96534	0.3
105.07008	0.4
106.06556	0.5
107.07343	2.6
108.08133	0.8
109.02869	0.7
109.06499	0.8
110.07182	0.6
110.09676	1.0
112.07600	4.5
114.09151	1.2
115.08664	0.4
116.98619	1.4
119.04939	0.5
120.08076	0.9
121.06487	0.4
122.06046	0.4
122.09656	9.8
124.07560	0.5
125.06046	0.6
126.09126	0.6
127.03899	0.8
128.07132	0.4
130.08664	0.4
134.09657	0.6
134.99657	0.4
136.07568	0.6
137.21461	0.4
138.09151	1.3
139.12265	0.4
140.07079	7.1
140.10695	66.6
141.11037	1.2
142.08618	0.9
144.08047	0.7
145.04982	0.7
145.07573	2.6
146.09634	0.7
147.04373	2.0
150.09122	0.5
152.10735	0.5
156.10182	0.4
158.08131	6.2
158.11763	26.5
159.12119	0.7
161.83499	0.4
162.09175	0.5
162.12769	0.4
163.02719	0.4
163.04356	0.7
163.08672	2.2
164.07051	0.9
164.10706	2.6
166.12305	1.0
174.12718	0.5
177.05450	1.0
178.12221	0.5
180.13866	0.5
190.08647	2.5
190.12254	1.7
208.07970	0.4
208.09618	1.7
208.13319	4.4
220.05960	0.6
223.05336	1.1
228.08473	0.7
233.16411	0.5
235.06516	0.8
235.14500	0.7
237.02715	0.8
244.06886	0.6
245.16582	0.9
259.17972	1.4
261.15964	0.5
262.17801	0.4
263.17404	0.8
277.16177	0.6
277.19058	5.4
282.97382	0.6
289.15488	1.1
289.19058	8.1
295.20126	2.4
295.39758	0.4
307.16422	8.4
307.20065	19.1
308.16754	0.6
308.20343	0.9
311.06195	0.5
325.13596	2.5
325.17584	9.8
325.21136	100.0
326.17682	0.9
326.21368	4.5
326.25717	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	325.2007
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03942	18.5
55.01866	14.1
55.05250	3.4
55.05500	26.2
56.96546	4.5
57.03434	20.3
57.07067	4.6
58.06598	17.1
65.03931	4.1
67.05173	4.1
67.05503	66.6
69.03413	15.6
69.07060	29.2
70.75472	3.6
70.75803	8.4
71.04980	12.8
72.08118	4.4
79.05483	50.4
80.85082	2.8
81.03414	47.9
81.06577	4.0
81.07050	82.6
82.19694	2.9
83.04971	48.3
83.08599	10.2
85.02878	6.9
85.06513	9.8
91.05476	39.9
93.07033	50.5
95.04965	26.6
95.08598	50.4
97.02914	3.7
97.06528	80.9
97.10164	7.8
99.04441	5.8
99.08083	4.2
105.07023	43.0
107.04950	44.1
107.08588	33.5
109.02902	4.6
109.06507	21.9
109.10156	30.0
111.04427	35.2
111.08071	11.6
113.06003	5.8
117.06985	16.3
119.04900	4.0
119.08556	18.0
121.06504	23.3
121.10155	15.7
123.04422	31.3
123.08051	22.1
123.11671	6.3
125.05968	3.6
125.09576	5.5
127.03870	3.5
129.07010	6.0
131.08575	18.5
133.06474	8.0
133.10114	34.5
134.03659	4.4
135.04396	3.5
135.08083	14.4
135.11685	22.5
137.05960	4.7
141.07001	8.8
143.08543	7.2
145.06458	21.0
145.10144	14.2
147.04401	8.9
147.08041	10.9
147.11674	6.2
149.05956	6.9
149.09572	6.5
149.13214	10.9
151.07542	4.3
151.11200	14.2
155.08528	7.1
157.10065	6.6
159.08049	11.8
159.11668	22.6
161.09660	4.5
161.13251	4.3
163.03938	4.0
163.07510	5.2
163.11171	5.6
167.03371	3.5
169.10132	9.4
171.11618	5.6
173.09634	4.0
173.13197	4.7
177.09152	5.4
177.12727	19.9
179.10500	3.5
181.12254	4.3
187.11176	26.3
187.14793	6.3
189.09036	11.0
195.13806	12.2
205.12234	7.4
205.15823	8.4
215.14342	3.6
223.13223	14.1
225.16537	6.7
233.15341	19.9
241.14340	52.9
243.17352	6.1
247.13365	4.0
253.04964	6.6
253.15863	6.6
254.05682	4.3
261.18619	17.9
269.08173	3.2
271.16855	15.7
275.71759	3.1
289.17950	100.0
289.21243	5.7
297.07532	4.2
307.19012	39.0
307.22406	4.5
309.09912	4.7
310.04739	15.8
310.10144	3.7
323.12701	3.8
325.06979	65.2
325.10345	4.1
325.14139	10.5
325.20236	14.0
325.25250	4.4
326.07422	5.2
326.13965	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	325.2005
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.02364	1.1
52.57158	0.9
53.03939	3.7
55.01620	1.6
55.01867	20.5
55.05255	1.5
55.05505	17.1
57.03429	16.4
57.07063	1.4
58.06580	4.6
65.03918	2.0
65.82824	0.9
67.05498	38.4
68.99783	7.1
69.03418	4.1
69.07065	14.9
70.27174	4.0
71.01344	1.2
71.04990	3.0
79.05486	37.0
80.06251	1.4
81.03413	7.1
81.07049	42.7
83.04978	18.3
83.08605	5.1
85.02871	1.5
85.06521	3.6
89.59250	0.9
91.05471	35.6
92.06262	1.4
93.06456	2.0
93.07031	27.4
94.04173	1.6
95.04961	42.7
95.08038	2.1
95.08602	24.6
95.86943	0.9
96.05766	2.5
97.02878	4.4
97.06522	4.9
97.10152	4.7
98.07293	3.9
103.05474	2.9
105.07019	29.9
107.04944	50.4
107.08588	14.4
108.05726	3.9
108.09408	1.3
109.02830	1.2
109.06504	23.9
109.10159	10.0
111.04449	6.0
111.08064	2.3
112.05203	4.2
113.06001	3.3
115.05428	2.8
117.07005	16.9
119.04919	3.7
119.08567	18.5
120.05692	2.5
121.06499	18.5
121.10133	12.2
121.57470	0.9
122.07300	18.8
123.04419	100.0
123.08040	5.5
123.11675	3.1
124.04734	1.3
125.05941	2.6
125.09558	1.5
128.06229	7.0
129.07013	6.8
131.04892	2.9
131.08549	19.3
133.06496	13.9
133.10114	10.6
134.03664	1.5
135.04410	2.2
135.08018	9.5
135.11705	6.7
137.05981	2.1
137.09631	10.2
141.06946	3.5
142.07755	1.3
143.08545	11.0
145.06490	12.1
145.10120	9.9
146.07233	2.1
147.04358	5.2
147.08035	21.5
147.11664	3.9
148.08783	1.3
149.05968	32.0
149.09618	4.5
149.13176	1.6
151.07526	4.1
151.11169	1.8
155.08516	4.1
156.15579	0.9
157.10103	3.0
158.68700	1.0
159.08054	3.8
159.11674	7.1
160.05139	1.1
161.05995	3.7
161.09604	21.4
161.13249	2.2
162.10358	3.6
163.07547	1.7
163.11134	8.4
165.09100	4.3
169.10098	3.2
171.08067	4.1
171.11710	5.1
173.05968	1.7
173.09587	3.0
173.13251	9.0
174.06761	7.2
175.11177	4.6
175.14751	1.0
176.01106	1.3
177.12671	2.6
179.14238	1.6
183.11647	1.4
185.13187	1.9
187.11168	2.8
187.14775	6.8
189.09091	32.5
189.12744	3.9
190.09511	1.1
191.09195	1.3
191.10626	6.8
194.02110	1.8
197.13248	2.9
203.10703	10.0
203.14323	2.1
205.12384	1.3
205.15843	7.3
212.24759	1.1
215.10628	3.6
215.14296	7.3
233.15352	55.4
234.99850	1.0
237.05437	1.2
251.16373	16.0
253.04970	2.8
254.05678	1.5
262.19467	2.1
265.05026	2.5
267.57159	1.0
269.08002	2.1
273.18460	4.7
275.20050	1.4
290.18756	14.3
291.19504	4.6
293.04419	3.0
310.04807	7.7
325.07065	33.7
325.14304	59.4
325.28650	2.1
326.07321	3.5
326.14627	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	325.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
55.05512	8.3
56.05054	0.6
56.96568	1.0
60.05650	4.0
69.03409	2.4
69.07082	0.8
70.06589	6.1
70.55512	1.0
70.55874	1.1
71.05000	0.9
72.08153	20.9
73.02907	0.7
73.08514	0.6
78.63732	0.5
79.05500	1.0
81.03442	0.6
84.08151	1.9
85.02895	4.3
85.06577	0.6
86.09729	0.9
87.34860	0.5
87.67667	0.5
89.03918	0.7
89.10802	1.5
91.05496	1.6
93.07028	0.5
95.04978	0.7
96.08143	1.9
97.02903	1.6
97.07656	4.9
98.06051	30.6
98.09687	2.5
100.07635	0.8
105.07059	1.0
107.04932	1.1
107.08569	0.7
109.02864	0.7
112.07619	1.2
113.10793	1.7
114.09185	4.1
114.10286	16.4
114.12778	0.6
115.08692	15.0
117.03394	5.9
119.04921	2.6
119.08608	0.6
121.02856	1.1
121.06535	0.8
123.04440	1.6
125.05979	0.5
127.03898	2.6
131.12933	3.2
133.06526	0.5
135.04463	1.4
136.07613	0.9
136.11201	0.6
137.05978	0.6
140.07048	1.0
140.10718	3.5
140.65819	0.5
145.02843	37.1
145.04849	1.2
146.03210	0.6
147.04387	5.0
148.04778	0.5
149.05989	2.9
151.07535	2.6
152.07066	1.1
156.11279	2.5
157.10843	62.6
157.13438	1.9
158.11752	1.6
161.05881	0.8
163.03902	2.2
164.07030	2.2
164.10820	0.5
173.13979	3.3
175.03822	0.7
177.05460	87.1
177.13864	1.1
178.05861	1.4
186.05504	0.6
188.98418	0.6
190.08780	0.6
191.03365	0.5
194.10338	1.5
195.15028	2.5
201.05554	0.7
218.11768	0.8
232.11983	1.0
236.10309	1.7
238.69394	0.5
247.14371	3.3
248.12775	4.0
263.17566	0.9
265.15295	1.2
265.18689	1.2
289.11560	0.5
289.18997	0.8
290.14990	8.7
293.36172	0.6
307.17514	29.7
307.20172	1.5
308.17642	0.9
325.18491	100.0
326.18719	2.0
326.25793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Crotmarine
Peak:m/z	Relative Intensity
50.53276	0.4
51.05434	0.4
53.03942	0.9
53.12748	0.3
55.01869	1.8
55.05514	2.3
57.01904	0.4
57.03426	0.7
57.07069	0.8
58.06598	2.9
62.68911	0.4
65.03926	0.9
67.05498	5.9
68.99785	10.0
69.03418	2.0
69.07059	5.0
71.01559	0.5
71.01875	0.9
71.04996	0.9
79.05487	4.1
81.03403	1.2
81.07053	14.4
83.04974	1.4
83.08610	1.6
85.02900	0.5
85.06535	1.8
91.05462	5.9
93.07033	7.8
93.21955	0.4
95.04962	9.4
95.08599	5.6
97.02895	0.8
97.06528	1.4
97.10172	1.1
99.08068	1.1
103.05453	3.3
105.04573	0.5
105.07022	7.4
107.04947	3.8
107.08585	3.5
109.02917	0.5
109.06529	1.2
109.10155	3.9
111.08082	1.8
111.11689	0.6
115.05434	1.5
117.07013	1.9
119.04943	1.4
119.08575	4.7
121.02885	0.6
121.06499	9.8
121.10127	6.5
123.04419	100.0
123.11707	1.8
124.04783	1.1
125.09605	0.5
127.03887	0.5
128.06227	2.2
129.07008	1.2
131.04845	2.2
131.08540	2.0
133.06493	3.6
133.10103	3.4
134.03659	0.4
135.04414	1.6
135.08095	1.1
135.11705	2.5
137.06007	1.0
137.09642	0.7
137.13362	0.4
139.11194	0.5
141.06905	0.5
142.07724	0.5
143.08537	5.9
145.06450	2.5
145.10123	1.7
146.07256	1.7
147.04398	4.6
147.08008	2.0
147.11671	1.9
149.05968	42.7
149.13223	1.2
150.06360	0.4
151.07507	0.8
155.08533	0.5
157.10078	1.0
159.08087	1.3
159.11723	1.0
160.05197	0.8
161.05980	6.1
161.09608	7.6
161.13234	1.3
163.03909	3.3
163.14851	0.6
171.08040	12.1
173.05928	2.0
173.09549	0.5
173.13303	0.7
174.06738	8.9
175.07576	2.1
175.11147	1.4
185.09734	0.5
187.07544	1.5
187.11168	0.9
188.08363	0.8
189.05591	2.0
189.09094	52.7
190.09531	0.6
191.03429	0.5
191.10622	1.9
197.09532	0.6
200.08208	0.5
201.09109	0.6
203.06998	1.2
203.10652	18.5
209.18947	0.5
215.10625	4.7
237.05568	0.5
253.04918	0.7
265.08563	0.6
269.08017	0.4
269.42917	0.4
283.09601	0.8
289.18033	0.7
289.25262	1.3
295.26151	0.5
297.10928	0.6
307.12982	0.6
307.26312	2.2
309.09891	1.1
310.04712	1.2
325.06995	7.0
325.10782	4.4
325.14276	43.7
325.27383	2.2
326.07458	1.0
326.14615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Crotmarine
Peak:m/z	Relative Intensity
53.03917	0.7
55.01856	0.6
55.05498	0.8
56.96548	0.8
57.07056	0.6
57.32666	0.5
58.06595	13.6
67.05492	4.3
68.99432	0.8
68.99784	11.3
69.03406	0.9
69.07065	10.5
70.19250	2.2
79.05478	4.1
81.03385	0.6
81.07053	4.5
83.04937	0.8
83.08601	0.6
91.05470	2.4
93.07047	2.6
93.70993	0.5
95.04968	4.0
95.08592	2.9
98.21497	0.6
103.05462	1.1
105.07016	2.2
107.04941	6.8
107.08562	1.5
109.06487	0.9
109.10166	1.3
117.07029	1.3
119.04910	0.6
119.08540	0.6
121.06487	2.4
121.10139	1.5
123.04419	33.0
123.11697	0.9
124.04763	0.8
130.07806	0.7
131.08493	0.7
133.06462	1.5
133.10100	1.0
135.04399	11.3
137.05940	2.6
143.08589	0.7
145.10095	3.3
147.04373	4.2
147.11664	0.6
149.05972	24.8
149.09595	1.4
150.06300	1.1
153.05444	0.9
153.06885	0.5
158.07373	0.6
159.04413	1.5
159.11761	1.0
160.05159	1.0
161.05945	0.9
163.03877	1.1
163.07503	0.8
163.11191	1.3
173.06039	0.7
173.09590	8.7
176.08340	0.6
189.09070	1.5
191.10657	100.0
192.10970	4.4
199.07539	1.3
203.10593	1.0
213.09103	1.0
215.10641	8.5
216.10918	0.6
223.07506	0.7
223.14932	0.5
225.00659	0.5
239.07037	0.8
241.08603	0.9
243.06548	0.6
251.07031	0.8
255.06410	1.4
256.07333	2.2
257.08072	1.1
263.06949	0.6
266.07983	0.9
269.08057	7.1
294.07614	2.2
297.07108	0.6
298.17694	0.5
308.09158	0.8
309.09979	5.2
310.04657	1.4
310.10217	2.0
325.07071	11.5
325.14316	12.3
325.21646	0.5
325.25375	1.1
326.07285	1.0
326.14368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Crotmarine
Peak:m/z	Relative Intensity
53.03936	0.9
55.01856	2.2
55.05506	2.6
58.06598	7.4
67.05494	3.5
68.99784	11.3
69.03425	1.6
69.07056	2.1
69.42795	7.0
71.08630	1.2
79.05481	3.0
81.07053	10.9
83.04987	0.9
83.08624	0.6
91.05476	5.0
93.07043	6.2
95.04970	5.2
95.08606	2.3
99.08079	1.4
103.05489	3.8
105.07021	9.0
107.04932	3.5
107.08581	1.9
107.70390	0.7
108.77732	0.6
109.06516	2.3
109.10155	1.7
115.05450	1.3
117.07024	1.5
119.08565	7.3
121.06509	11.3
121.10122	9.3
121.13406	0.7
123.04421	87.8
128.06242	3.4
129.06981	0.8
131.04953	1.8
131.08521	1.7
131.70345	0.7
133.06474	6.2
133.10124	5.9
135.08064	1.3
135.11679	0.8
140.06355	0.6
143.08575	7.9
145.06512	4.3
145.10092	2.3
146.07268	2.9
147.04428	3.8
147.08034	2.4
149.05972	59.4
150.06317	0.6
160.05264	0.9
161.05989	7.0
161.09621	13.9
165.12769	3.2
168.69632	0.7
171.08032	8.2
173.05968	1.7
173.09727	0.8
174.06758	15.0
174.08176	1.2
175.07527	2.8
175.11150	1.6
181.15974	0.7
187.07443	0.7
187.11064	1.0
188.08333	1.3
189.09100	62.5
190.09439	0.9
191.10756	0.7
203.10655	24.9
204.10970	0.8
215.10655	5.8
253.05006	0.7
261.22131	1.2
266.97925	1.5
279.23227	0.8
282.05438	0.8
289.21674	3.3
294.07443	1.0
307.22650	7.4
309.09976	2.4
310.04694	1.4
310.10156	0.7
325.06958	4.2
325.14316	100.0
326.14688	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Crotmarine
Peak:m/z	Relative Intensity
53.03941	1.3
54.04362	0.5
55.01870	1.9
55.05500	2.6
57.03436	0.7
57.07061	1.1
58.06594	5.0
65.03934	0.6
65.14507	0.6
67.05495	6.0
68.99780	10.1
69.03418	2.1
69.07064	4.7
70.29064	1.2
70.29447	2.2
79.05472	5.0
81.03392	2.4
81.07053	12.7
83.04967	2.0
83.08626	1.8
84.08098	0.6
85.02896	1.0
91.05469	6.0
93.07031	9.0
95.04958	7.6
95.08593	6.1
97.02884	2.6
97.06513	1.0
97.10157	1.6
97.35413	0.5
103.05484	3.7
105.07018	7.5
107.04955	5.3
107.08551	3.6
109.02874	0.8
109.06484	1.6
109.10155	4.4
111.08076	0.9
111.11681	0.8
115.05405	1.3
117.07000	2.0
119.04951	1.2
119.08572	4.5
121.02842	0.8
121.06496	12.1
121.10128	6.7
123.04415	100.0
123.08006	1.2
123.11649	1.7
124.04766	1.3
128.06203	3.7
129.07014	1.3
131.04918	2.5
131.08540	2.4
133.06493	3.5
133.10123	4.4
134.03613	1.3
135.04440	1.0
135.08075	1.1
135.11690	2.0
136.28490	0.6
137.05959	1.1
139.11079	0.8
141.06985	0.8
142.07831	0.6
143.08551	7.0
145.06464	3.2
145.10121	1.4
146.07214	1.4
147.04385	4.5
147.08040	1.8
147.11635	1.4
149.05969	45.8
149.13202	0.7
150.06273	0.8
151.07494	1.0
153.12759	0.8
157.10162	0.9
159.08023	1.6
159.11635	1.2
160.05148	1.3
161.05971	6.4
161.09619	7.8
163.03882	1.1
163.07579	0.7
163.10970	0.6
167.03328	0.8
171.08047	12.3
171.11565	0.8
173.05978	1.6
174.06744	10.4
175.07469	1.9
175.11194	0.7
175.14789	0.6
181.04869	0.8
181.06508	0.7
183.46458	0.6
185.09596	0.7
187.07507	1.9
187.11058	1.2
189.05516	3.8
189.09091	61.7
190.09598	0.8
191.03387	1.6
191.10574	0.9
197.09523	1.1
200.08429	0.9
201.05373	0.6
201.09062	0.6
203.07231	0.7
203.08842	1.2
203.10657	18.7
215.10693	5.0
227.06937	0.8
233.15341	2.7
253.04855	1.9
255.06400	1.2
265.08389	0.7
269.07928	0.7
282.05328	1.0
283.09518	1.0
289.17972	1.0
294.07538	1.0
297.07394	0.8
307.19025	1.1
307.26559	0.9
309.09793	1.9
310.04684	5.9
325.07098	24.1
325.10822	4.5
325.14267	50.5
326.07285	2.2
326.14642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1431
Annotation	Crotmarine
Peak:m/z	Relative Intensity
53.03939	1.2
55.01858	2.7
55.05496	1.0
58.06604	1.2
64.42067	0.5
67.05490	3.6
68.99789	11.2
69.03415	1.6
69.71028	3.4
69.71444	1.1
79.05487	2.5
79.34383	0.6
81.07050	11.8
91.05479	5.8
93.07037	6.3
95.04964	4.3
95.08598	0.8
98.20733	0.8
103.05449	4.0
105.07034	7.7
107.04962	4.3
107.08590	1.1
109.10190	0.7
114.70487	0.7
115.05430	1.6
117.06970	1.1
119.04880	0.8
119.08576	6.1
121.06499	12.6
121.10127	10.0
123.04420	94.4
124.04750	2.2
128.06227	3.9
131.04930	2.7
131.08614	1.3
132.05743	0.6
133.06502	6.2
133.10120	4.2
135.04512	0.7
135.08058	1.2
135.11755	0.9
142.07803	1.3
143.08546	7.7
145.06487	2.4
145.10107	1.1
146.07281	2.8
147.04378	4.2
147.08055	2.0
149.05971	58.9
150.06306	2.3
157.10211	0.6
160.05240	1.1
161.05974	7.6
161.09605	13.3
162.06697	0.7
171.08037	8.9
172.08629	0.7
173.05954	2.1
173.09660	0.9
174.06750	12.6
175.07462	2.3
175.11195	1.4
187.07556	1.1
187.11159	0.9
189.09093	67.8
190.09433	2.3
200.08325	1.0
203.10640	28.0
203.12566	1.3
204.11034	1.1
215.10631	6.0
307.26608	1.0
325.14313	100.0
326.14630	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.143
Annotation	Crotmarine
Peak:m/z	Relative Intensity
54.89292	0.6
55.01853	2.2
55.05493	1.2
58.06594	17.2
58.28781	0.7
59.06924	0.6
62.06076	1.1
62.64271	0.6
63.54798	0.6
65.03941	0.9
67.05496	3.6
68.99782	11.8
69.03418	1.6
71.35584	1.1
79.05477	2.1
81.07043	10.0
86.06152	0.6
86.13228	0.6
86.54441	0.7
91.05457	4.3
93.07038	5.7
95.04973	4.7
95.08640	0.7
103.05469	3.8
105.03274	0.7
105.07018	8.2
105.36646	0.6
107.04943	3.2
107.08550	1.3
115.05460	1.4
117.07011	2.1
119.04978	0.9
119.08571	4.8
121.06493	12.5
121.10133	9.7
123.04417	89.2
124.04710	0.8
128.06200	2.9
129.06970	1.3
131.04881	2.2
131.08585	0.7
133.06483	6.3
133.10115	4.9
135.04445	1.0
135.08018	1.5
135.11749	0.9
142.07747	0.7
143.08540	8.0
145.06470	3.8
145.10110	1.0
146.07245	2.3
147.04413	3.4
147.08057	1.8
147.11700	0.8
149.05965	56.1
157.10165	1.1
159.08009	1.0
159.11705	0.9
160.05162	0.7
161.05983	7.7
161.09583	11.5
171.08034	6.1
173.06010	1.9
173.09637	1.0
174.06749	14.9
175.07536	2.9
175.11179	1.7
186.06505	0.7
187.07602	0.9
187.11180	1.9
188.08266	0.8
189.09088	63.2
191.10689	0.8
193.05032	0.7
200.08289	1.1
203.10649	25.8
204.11012	0.6
215.10721	5.1
266.08206	1.0
282.99170	0.6
294.07602	2.8
296.09381	0.7
308.09207	0.7
309.09900	6.0
310.10312	2.0
314.37747	0.7
323.96786	0.7
325.14310	100.0
326.14532	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1431
Annotation	Crotmarine
Peak:m/z	Relative Intensity
55.01857	1.0
55.05507	1.4
56.96563	0.8
57.07069	3.5
58.06597	2.5
61.96657	0.4
65.03933	0.5
67.05501	3.9
67.40862	0.4
68.99783	4.6
69.03428	1.5
69.07059	1.7
69.81336	1.4
69.81746	1.4
70.06569	1.5
71.04956	0.7
71.08614	1.4
72.08148	0.5
79.05486	3.0
81.03416	0.5
81.07052	6.9
82.07372	0.4
83.04964	1.3
85.02879	0.6
88.02364	0.6
88.07618	1.6
91.05468	3.4
93.07028	5.4
94.17262	0.4
95.04957	9.1
95.08596	2.3
95.09138	0.5
97.06519	1.3
103.05457	1.4
105.07027	6.7
107.04934	1.5
107.08558	3.4
109.06509	1.5
109.10151	3.0
109.54462	0.6
115.05423	1.1
116.55155	0.4
117.07008	1.7
119.04886	0.7
119.08575	6.3
121.06496	5.0
121.10142	3.9
122.59787	0.4
123.04416	100.0
123.11732	0.5
124.04776	1.9
128.06195	2.9
129.06993	1.2
130.07803	0.6
131.04921	0.8
131.08527	2.4
133.06474	1.8
133.10110	3.9
135.04355	0.5
135.08017	1.6
135.11693	0.9
137.09566	0.6
141.06924	0.7
142.07755	1.3
143.08553	10.1
145.06482	1.7
145.10118	3.8
146.07251	0.7
147.04396	1.6
147.08044	2.6
147.11671	1.1
149.02336	3.5
149.05966	21.2
149.09622	0.7
149.13232	0.6
150.06374	0.5
153.07016	0.7
155.08531	1.0
156.09305	0.6
157.10126	3.4
158.86302	0.5
159.08038	1.0
159.11696	2.6
161.05965	2.7
161.09608	5.9
161.13281	0.7
163.11189	0.6
165.06995	0.8
169.10118	1.8
171.08040	16.9
171.11646	1.4
172.08560	0.7
173.05952	0.8
173.09641	1.6
173.13232	0.7
174.06744	4.9
175.07404	0.7
175.11163	0.8
181.10127	1.2
182.10896	0.7
183.11668	1.6
185.09592	0.8
185.13309	0.9
187.11145	1.3
187.14812	0.8
189.09088	69.8
190.09456	2.0
193.04959	9.6
193.10118	1.0
195.11671	1.4
197.09598	0.8
197.13245	0.5
203.10660	10.3
206.07317	0.5
207.11659	1.3
208.12436	0.8
209.13158	1.4
210.64081	2.0
211.14590	0.7
215.10677	3.5
215.37329	0.5
218.10921	0.7
221.13266	0.5
223.14801	1.8
224.65659	1.7
225.16330	0.7
228.23131	1.2
233.13268	0.7
241.16072	0.5
249.16338	0.7
251.14252	0.8
256.26303	1.8
263.17764	0.4
265.19406	0.5
267.17279	0.9
269.15393	1.3
279.21011	0.8
297.22250	0.5
307.20514	1.9
309.09869	0.9
310.04715	0.9
310.11337	1.9
325.07101	6.0
325.14297	30.4
325.21582	11.3
325.26044	19.0
325.29874	0.9
325.76248	7.6
326.14487	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	325.143
Annotation	Crotmarine
Peak:m/z	Relative Intensity
50.17156	0.2
53.03928	0.4
55.01852	0.8
55.05489	0.7
55.94197	0.2
57.03427	0.2
58.06304	0.5
58.06592	8.0
59.06917	0.2
65.03921	0.4
67.05497	2.8
68.99427	0.3
68.99781	4.4
69.03427	1.1
69.07042	0.9
71.08633	0.3
71.13848	0.4
78.04693	0.2
79.05486	1.9
81.03392	0.2
81.07050	4.5
83.04960	0.5
83.08596	0.3
91.05467	2.6
93.07037	3.3
95.04964	3.7
95.08593	1.5
97.02843	0.3
97.06528	0.5
103.05441	1.5
105.06374	0.3
105.07025	3.9
107.04935	1.7
107.08566	1.1
109.06515	0.4
109.10136	0.8
115.05428	0.6
117.07012	1.2
119.04904	0.4
119.08573	3.7
120.94719	0.2
121.06492	5.5
121.10129	3.1
123.04411	100.0
123.11696	0.4
124.04764	0.6
128.06204	3.8
128.68359	0.2
129.07010	0.6
130.06093	0.2
131.04910	0.8
131.08528	0.9
132.05650	0.3
133.06482	1.8
133.10126	1.9
134.03648	0.3
135.04372	0.4
135.08014	0.9
135.11678	0.7
137.05960	0.3
137.09563	0.3
141.06989	0.5
142.07690	0.3
143.08539	10.6
145.06453	1.7
145.10112	0.8
146.07268	1.2
147.04390	1.9
147.08028	2.6
147.11688	0.3
149.05962	22.4
150.06357	0.2
154.07759	0.3
155.05997	0.3
157.06418	0.3
157.10132	0.3
159.08023	0.6
159.11664	0.3
160.05237	0.4
161.05974	2.6
161.09602	5.4
161.13243	0.3
163.03917	0.4
169.10092	0.6
169.75824	0.2
171.08028	20.0
172.08424	0.4
173.05989	0.9
173.09607	0.3
174.06734	5.9
175.07526	0.9
175.11177	0.7
185.09544	0.3
187.07506	0.4
187.11148	0.5
189.09081	67.6
190.09412	0.9
197.09578	0.4
200.08275	0.7
203.10643	10.7
213.09187	0.3
215.10640	3.6
215.17805	0.2
253.04884	0.3
265.04926	0.3
266.08102	0.6
267.06201	0.2
273.18542	0.4
281.06808	0.3
294.07513	1.2
295.08060	0.3
296.09085	0.4
299.11499	0.2
308.09149	0.4
309.09937	2.8
310.04553	1.0
310.10339	0.7
325.07306	4.3
325.14294	28.8
325.28561	0.4
325.63165	0.3
326.14279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	Crotmarine
Peak:m/z	Relative Intensity
53.03924	0.9
53.46542	0.4
55.01863	2.5
55.05504	4.0
57.03415	0.9
57.07055	1.4
58.06586	0.6
65.03938	0.8
67.05167	0.5
67.05499	8.2
68.99786	12.6
69.03429	3.1
69.07063	7.3
71.04967	1.7
71.08605	0.6
71.62718	0.5
72.08144	0.8
79.05056	0.5
79.05486	6.8
81.03416	2.7
81.07053	23.8
82.07368	0.4
83.04976	2.5
83.08604	2.3
85.02894	1.3
85.06538	2.5
87.04420	0.5
91.05473	7.6
93.07042	12.1
95.04969	10.6
95.08602	8.9
97.02862	1.8
97.06511	2.2
97.10168	1.9
99.04410	0.6
99.08082	1.3
103.05450	3.5
105.07026	12.0
107.04958	4.2
107.08598	6.1
107.12260	0.4
109.02883	0.7
109.06511	6.0
109.10146	5.9
111.08086	2.0
111.11703	1.2
113.05945	0.5
115.05444	1.1
117.07010	2.3
117.81342	0.4
119.04928	1.5
119.07805	0.3
119.08566	8.3
121.02905	0.6
121.06499	12.2
121.09299	0.8
121.10138	12.7
121.11021	0.6
122.06824	0.4
122.10479	0.5
123.04420	90.3
123.08030	2.2
123.11673	2.7
124.04740	2.2
125.09644	0.7
127.03873	0.5
128.06230	3.4
129.06978	1.4
130.07753	0.6
131.04916	2.5
131.08569	2.4
132.05678	0.4
133.02812	0.6
133.06487	7.2
133.07449	0.7
133.10112	6.9
134.03615	0.7
135.04405	0.6
135.08055	2.4
135.11665	3.5
137.05959	1.3
137.09634	0.7
137.13226	1.2
139.11169	1.4
141.06985	0.7
142.07758	1.1
143.08542	7.6
145.06474	3.3
145.10110	1.9
146.07259	2.6
147.04401	4.1
147.08025	2.0
147.11646	2.5
148.05161	0.8
149.05971	58.4
149.13258	1.5
150.06306	2.4
151.07574	0.5
151.14885	0.5
153.06932	0.4
153.12752	0.7
154.07796	0.6
157.06485	0.7
157.10114	1.1
159.08047	1.2
159.11722	1.2
160.05199	1.5
160.08762	0.7
161.05974	8.4
161.09608	14.2
161.13269	1.5
162.06599	0.5
163.03891	1.4
163.14847	0.7
165.06941	0.5
165.12791	0.6
169.10136	0.7
170.32979	0.4
171.08043	8.1
172.08575	0.8
173.05945	2.5
173.09633	0.6
173.13280	0.6
174.06760	13.4
175.03879	0.4
175.07489	3.2
175.11177	2.3
175.14827	1.1
176.01059	1.4
181.06523	0.8
185.05954	0.5
185.09592	0.9
187.07542	0.8
187.11223	1.4
187.14903	0.6
188.08325	0.9
189.09094	63.4
189.16342	0.8
190.09422	3.6
191.10532	0.6
191.17949	0.5
193.12267	1.4
194.02104	2.8
195.08160	0.5
200.08276	1.1
201.09033	0.4
203.10652	26.5
204.10997	1.5
209.06017	0.7
209.19072	0.7
211.13272	0.5
211.71764	0.4
215.10684	4.7
226.06326	0.6
237.05495	1.1
253.04962	1.6
254.05676	0.9
265.04965	3.1
265.07794	0.5
266.05377	0.5
271.24158	0.8
282.05276	0.7
289.18076	1.3
289.25186	2.3
293.04443	3.3
295.26456	0.4
297.07462	0.9
307.09570	0.5
307.13135	0.5
307.19003	3.3
307.26263	4.1
310.04691	4.9
311.05118	0.8
312.57214	0.4
315.28729	0.4
325.07141	25.9
325.14301	100.0
325.20471	3.2
325.27020	2.5
326.07507	3.0
326.14642	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	325.1431
Annotation	Erythbidin A
Peak:m/z	Relative Intensity
53.03934	0.2
55.00947	0.1
55.01863	0.6
56.96560	0.2
58.06585	0.4
65.03934	0.5
67.05163	0.2
67.05502	3.1
68.99792	0.8
69.06717	0.2
69.07065	3.1
77.95219	0.1
79.05489	0.2
81.03410	0.2
81.07037	0.2
81.32384	0.1
91.05453	0.1
95.04965	5.4
105.06966	0.2
105.26337	0.1
105.68839	0.1
107.04934	0.6
119.04923	0.2
119.08586	0.2
122.03683	0.1
123.04422	100.0
124.04761	1.7
134.03673	0.1
135.04416	0.8
137.05965	1.6
138.06352	0.3
143.08568	0.2
145.10162	0.1
147.04404	5.6
149.05983	1.2
152.22719	0.1
153.06999	0.2
159.04419	0.3
161.05989	0.3
163.03899	0.3
171.08031	0.2
173.09604	0.8
187.07536	0.2
191.10663	7.2
192.10941	0.2
195.08084	0.1
198.06769	0.1
199.07561	1.1
203.10605	0.3
213.09152	0.3
215.10661	0.5
216.11267	0.2
223.07397	0.2
226.11214	0.5
227.07092	0.1
239.07053	0.2
241.08588	0.7
244.12259	0.3
251.07031	0.3
252.07747	0.2
255.06508	0.3
256.07281	0.7
257.08035	0.4
269.08066	3.9
270.08496	0.2
284.52200	0.1
309.10190	0.2
325.14322	9.3
325.17651	0.4
326.14618	0.4
344.15472	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	325.143
Annotation	Crotmarine
Peak:m/z	Relative Intensity
51.46542	0.6
53.03938	1.0
54.64223	0.5
55.01860	1.5
55.05505	1.3
58.06597	19.6
59.06924	0.7
59.75275	0.5
65.03922	0.6
67.05486	2.2
68.99429	0.7
68.99789	11.3
69.03421	2.2
69.07059	1.2
69.76679	2.1
69.77110	1.4
79.05474	2.5
81.03424	0.6
81.07053	11.6
83.04985	0.6
83.08623	0.7
88.33205	0.5
91.05466	5.5
93.07032	5.9
95.04971	3.6
95.08593	1.2
103.05469	4.0
105.07031	8.6
107.04932	4.2
107.08578	1.1
115.05480	1.2
115.08737	0.5
117.07030	1.6
119.04999	0.6
119.08568	5.5
121.06501	12.3
121.10133	8.9
123.04417	90.4
128.06229	4.6
129.07021	0.8
131.04909	2.8
131.08560	1.2
133.06483	6.3
133.10130	6.5
135.08124	0.9
135.11690	0.9
142.07787	0.8
143.08545	8.3
145.06499	3.8
145.10129	0.9
146.07253	2.4
147.04382	4.2
147.08069	1.2
149.05965	54.3
157.10141	0.6
160.05199	1.8
161.05980	8.2
161.09607	11.4
162.06767	0.8
169.10175	0.8
171.08035	8.1
173.05995	2.5
174.06754	15.6
175.07532	2.2
175.11191	1.6
187.07591	0.8
187.11183	1.0
188.08328	1.1
189.09087	61.3
190.09496	0.9
200.08292	1.1
203.10657	22.8
215.10660	5.5
266.08139	0.9
294.07556	3.3
296.09158	1.0
309.09955	9.0
310.10315	2.0
325.14325	100.0
325.63226	1.6
326.14545	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	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39294	0.6
53.03939	1.3
55.01867	9.2
56.96568	1.7
57.03430	10.3
59.04989	0.9
61.02922	9.9
67.05499	0.8
68.21889	0.7
68.46727	0.6
69.03423	38.3
71.01361	1.2
71.05001	3.1
71.60378	0.7
73.02909	7.7
81.03417	7.8
83.01315	0.8
83.04994	0.8
84.04472	0.8
84.08128	2.5
85.02898	100.0
86.03211	1.5
87.04446	1.8
91.03951	1.1
94.06550	3.5
97.02885	32.9
98.97566	1.5
99.04445	9.5
101.02368	5.7
109.02874	8.1
112.07597	1.3
113.71015	0.5
115.03904	3.9
116.98598	1.2
117.05473	0.6
119.01856	2.2
122.09707	0.9
123.04459	0.8
126.05505	1.6
127.03905	69.4
128.04243	1.2
128.98573	0.9
130.08656	1.2
135.03090	2.9
138.05511	1.2
140.07054	6.5
140.10686	3.1
144.03677	0.9
145.04950	42.9
147.11241	1.2
154.04723	0.8
158.08099	7.7
158.11803	1.5
158.99504	0.7
163.06166	4.8
164.10597	0.6
174.04086	0.6
175.04601	1.0
181.05626	1.0
189.02397	0.7
190.08626	2.0
195.08551	0.6
202.01691	0.7
205.05598	1.1
208.09682	2.4
216.01869	0.6
217.05492	0.9
219.01749	0.9
220.04233	2.7
221.03221	0.8
228.01903	0.7
229.04652	5.3
229.06589	0.6
235.07204	2.4
237.02808	0.8
238.05276	1.5
240.55458	1.1
244.07640	1.5
247.06725	1.0
263.17514	0.9
269.05511	2.4
286.04489	0.9
289.15717	0.9
307.08676	3.9
307.16501	9.0
307.19757	1.2
325.06976	1.6
325.14001	1.2
325.17584	7.8
325.21271	5.7
330.71906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0703
Annotation	Neobanol
Peak:m/z	Relative Intensity
52.52639	0.3
53.03928	0.6
55.01861	2.7
55.05499	2.7
56.65636	0.3
57.03420	0.5
57.07054	1.0
58.06593	4.5
61.42242	0.3
65.03926	0.6
67.05496	5.7
68.32739	0.3
68.99783	12.8
69.03418	2.2
69.07057	3.7
69.32079	0.2
70.17973	1.0
71.04985	0.6
71.08622	0.3
73.03884	0.2
79.05486	4.6
81.03390	1.0
81.07045	15.6
83.04970	2.2
83.08603	0.9
85.06530	1.9
89.03893	0.4
91.05473	7.1
93.07029	10.1
95.04955	7.7
95.08594	5.5
97.02864	0.7
97.06504	0.9
97.10165	0.8
99.08071	0.5
103.05455	5.0
105.03368	0.5
105.07014	11.6
107.04937	5.2
107.08571	3.4
109.02863	0.3
109.06500	1.6
109.10134	3.7
111.08058	1.2
111.11681	0.6
112.43602	0.3
112.48665	0.3
113.05984	0.7
115.05412	1.3
117.03400	0.4
117.06995	2.2
119.04914	1.1
119.08562	7.0
120.02042	0.8
121.02850	0.7
121.06492	13.4
121.10127	12.0
121.11015	0.6
123.04411	95.5
123.08027	1.0
123.11669	1.5
125.09636	0.4
128.06203	4.5
129.06984	1.1
130.07751	0.3
131.04900	2.3
131.08559	2.3
132.05688	0.5
133.02853	0.5
133.06470	7.3
133.10115	6.0
133.11061	0.5
134.03654	1.4
135.00787	0.5
135.04399	1.1
135.08037	2.2
135.11668	2.1
137.05965	1.1
137.09583	0.3
137.13237	0.8
139.07593	0.3
139.11171	0.5
141.07011	0.5
141.09094	0.3
142.07713	0.8
143.08539	8.2
145.02875	0.5
145.06473	3.9
145.10095	1.7
146.07242	3.3
147.03337	0.4
147.04405	4.8
147.08020	2.1
147.11665	1.5
148.01544	2.6
148.05162	0.4
149.05959	64.3
149.13222	1.0
151.11189	0.4
152.06178	0.8
153.06964	1.7
154.07748	0.5
157.06502	0.3
157.10114	1.0
159.08028	1.2
159.11653	1.4
160.05177	1.9
160.08839	0.5
161.02296	0.6
161.05966	9.4
161.09596	14.2
161.13217	0.5
162.06723	0.6
163.03889	1.3
163.14854	0.8
165.06950	0.7
165.12717	0.3
166.61816	0.3
169.06429	0.4
169.10100	0.5
170.07295	0.6
171.04466	0.4
171.08032	7.5
172.08763	0.4
173.02368	1.5
173.05930	2.2
173.09566	0.8
173.13205	0.5
174.06741	18.0
175.03787	0.5
175.07564	3.4
175.11143	1.8
175.14696	0.5
176.01025	9.9
177.01816	4.4
179.08603	0.3
181.04938	0.4
181.06429	3.1
183.08049	0.3
185.05861	0.5
185.09549	0.7
187.07510	0.9
187.11151	1.4
188.08382	1.4
189.09082	68.6
190.09451	0.3
191.10622	0.3
194.02080	18.3
195.02419	0.5
197.06104	0.4
198.06721	0.6
200.08263	0.8
201.09015	0.4
203.10638	27.9
208.05136	0.5
209.05966	3.8
211.03838	0.4
215.10632	5.6
221.05904	1.0
225.05368	1.4
226.06218	2.3
233.06029	0.4
236.04701	0.9
237.05421	7.1
253.04919	6.1
253.07559	0.3
254.05754	2.7
255.06488	0.4
264.04105	0.8
265.04926	19.6
266.05408	0.5
269.07938	1.6
271.24234	0.3
279.10031	0.3
281.04468	0.6
282.05206	3.5
284.87091	0.3
289.17975	0.7
289.25217	1.0
292.03702	2.8
293.04395	16.9
294.04666	0.5
294.07690	0.8
297.07639	2.7
307.18713	0.4
307.26178	2.1
309.03983	0.6
309.09854	1.9
310.04681	15.2
311.05167	0.4
325.07040	98.4
325.14261	100.0
326.07376	2.6
326.14294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.74089	0.7
54.08066	0.7
55.05511	5.9
57.07084	1.3
62.06086	100.0
67.05501	15.7
69.07070	4.6
70.02975	0.8
70.76402	1.5
76.85319	0.8
79.05487	3.5
81.07055	14.2
83.08621	3.2
86.58580	0.8
91.05475	2.3
93.07027	3.7
95.08604	11.7
97.10164	1.2
99.45230	0.8
105.07037	1.9
107.08629	2.0
109.10153	4.0
119.08549	1.1
121.10126	1.4
123.11709	2.2
133.10136	1.5
135.11697	0.8
147.11671	1.1
149.13150	0.9
161.13293	1.1
183.30214	0.8
188.61809	0.7
245.22670	1.8
261.15622	0.9
263.23761	1.0
295.79892	0.9
306.28101	1.9
307.26349	3.8
324.28943	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	324.2166
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.55764	0.3
53.03931	0.5
55.01864	0.8
55.02337	0.3
55.05499	1.9
57.07069	0.8
58.06593	2.2
65.03920	0.4
67.05498	4.0
69.03403	0.5
69.07060	9.9
69.65147	2.7
71.04986	0.4
72.08158	0.5
79.05476	4.4
81.03436	0.4
81.07050	8.4
83.04970	4.0
86.09698	100.0
87.10026	1.8
91.05469	9.3
91.06001	0.7
93.07037	10.2
94.07357	0.4
95.04961	2.9
95.08596	2.6
97.06529	1.6
103.05476	0.5
105.07020	13.0
107.04932	1.1
107.08586	3.7
109.06511	9.5
109.10145	1.4
111.08081	3.3
117.07005	1.0
119.08588	4.7
121.06519	0.9
121.10150	1.9
121.14350	0.3
123.04408	1.2
123.08051	1.2
123.11731	1.0
128.10712	4.8
129.06998	1.0
131.08559	3.7
132.10194	31.3
133.06490	1.2
133.10115	19.0
134.03563	0.4
134.10471	0.7
135.08009	0.4
137.05981	1.0
142.07701	0.4
145.10109	0.7
147.04424	0.6
147.08012	1.2
147.11674	12.7
148.12018	0.9
149.09619	1.9
149.13297	0.8
151.07568	2.7
151.11169	42.6
152.11542	1.5
156.10165	1.7
157.10088	0.5
165.12830	1.7
167.14273	0.5
169.10121	0.4
174.11214	0.6
175.11156	3.9
177.03181	0.5
192.13814	0.4
193.12207	3.4
210.15033	0.7
217.88208	0.4
222.14873	0.9
260.20041	7.4
261.20499	0.4
266.17813	0.5
278.21130	30.9
279.21527	1.8
294.07547	0.9
306.20612	7.7
309.09790	1.8
310.04599	1.0
324.06067	3.5
324.09116	0.4
324.21634	21.9
325.07083	3.3
325.10620	0.7
325.13986	0.6
325.22165	1.8
325.25360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.05515	45.1
57.07072	72.7
62.84118	5.4
66.08694	5.1
67.05488	36.3
69.03404	6.5
69.06715	8.3
69.07064	100.0
71.08622	49.6
73.06556	6.5
79.05475	14.5
81.07047	76.3
83.04951	6.9
83.08612	80.0
85.06528	13.1
85.10174	34.8
85.49371	4.7
87.65414	4.9
90.86361	5.9
91.05472	18.7
93.07040	32.3
95.08606	82.7
97.06518	24.2
97.10156	46.0
98.20723	12.9
99.04454	6.3
99.11702	6.4
105.07031	23.8
105.46638	5.9
107.08582	33.9
109.06505	12.9
109.10134	52.7
111.08072	7.6
111.11741	31.4
115.07581	6.7
119.08581	27.1
121.10110	28.0
123.04446	10.5
123.08070	13.8
123.11658	26.2
125.09566	8.9
125.13239	12.7
126.80592	5.4
129.09128	9.0
133.10104	30.0
135.11671	22.7
137.09596	12.6
137.13261	13.0
139.14793	8.3
141.08994	5.2
143.10635	8.4
145.10178	6.7
147.11673	29.3
149.13246	13.2
151.11205	34.0
161.13278	17.2
163.14766	7.2
165.12730	15.8
169.12267	12.2
175.14816	14.1
179.14322	21.9
183.13727	9.4
193.15829	10.6
197.15334	12.5
207.17255	5.6
229.30409	7.3
231.20917	5.9
249.22156	6.1
263.27356	19.5
266.08035	5.9
267.06586	9.5
287.27335	9.9
291.19470	15.1
305.28336	19.8
309.09903	13.8
323.05646	7.1
323.12717	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	323.2579
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03938	3.2
54.74327	1.3
55.01852	4.7
55.05258	2.0
55.05505	23.7
57.03414	5.6
57.07071	6.8
59.04996	2.2
65.03922	3.1
67.05167	2.6
67.05502	40.4
69.03426	18.7
69.07065	47.1
69.61963	2.6
69.62362	11.1
70.06574	1.5
71.04988	7.3
71.08609	2.0
72.08136	4.1
73.95540	1.6
79.05486	38.2
81.03401	5.5
81.07054	100.0
82.07370	1.9
83.04983	9.9
83.08620	12.0
85.02894	5.7
85.06544	19.6
88.07560	1.4
88.57502	1.7
91.05474	33.2
93.07040	68.1
95.04955	14.9
95.08601	91.4
96.08947	2.1
97.02879	5.8
97.06535	15.4
97.10168	13.0
98.20827	2.8
99.04434	2.6
99.08089	14.1
101.06024	2.0
103.05434	3.1
105.07026	48.7
106.07346	1.8
107.04955	3.1
107.08590	54.4
109.02870	3.6
109.06519	11.4
109.10153	44.5
111.04440	2.2
111.08073	16.9
111.11708	3.6
113.06010	1.9
113.09626	14.0
115.05452	1.5
115.07560	1.3
117.06987	8.6
119.04906	2.4
119.07918	1.2
119.08574	36.7
121.06498	5.6
121.10134	40.5
123.04414	5.8
123.08066	5.0
123.11704	21.6
125.05989	2.2
125.09618	11.9
127.03888	2.5
127.11224	1.9
128.06172	2.1
129.05426	1.4
129.06975	3.6
131.04822	1.5
131.08545	13.8
133.06509	2.3
133.10123	31.7
135.04434	1.5
135.08049	5.5
135.11691	26.1
137.05995	7.2
137.09598	11.8
137.13225	6.0
139.07526	4.8
139.11168	16.9
141.09041	2.3
143.08556	5.3
143.10635	2.2
145.06479	1.9
145.10126	14.1
147.04379	8.2
147.08061	3.4
147.11679	23.0
149.09613	11.7
149.13246	29.5
151.07556	1.8
151.11182	7.3
153.05415	1.8
153.12708	3.6
155.10672	3.8
157.10080	6.8
159.10374	2.3
159.11691	14.2
161.05995	7.9
161.09613	3.3
161.13246	18.1
163.11171	4.5
163.14813	7.8
165.12787	4.0
165.16357	2.0
167.07040	2.3
171.11629	4.5
173.13284	8.2
175.11234	2.1
175.14822	7.3
177.09154	2.6
177.12759	2.6
177.16389	4.2
179.10648	2.7
179.14220	1.8
181.12204	3.7
185.13240	2.6
187.07477	1.4
187.14810	5.6
189.12679	2.1
189.16386	9.8
191.14377	2.1
199.07520	2.1
199.14775	6.0
201.16350	2.4
202.07841	1.6
203.08492	3.5
203.17938	3.7
207.02895	2.0
207.17464	4.9
213.09142	1.8
213.16409	4.9
217.15854	2.0
219.08173	1.8
220.08688	2.2
229.19426	3.4
231.07985	5.7
231.17473	2.9
235.16898	1.9
237.14749	1.8
243.21007	2.4
248.08417	3.8
254.05661	3.3
259.07434	2.0
259.16965	2.0
259.24213	1.5
263.10614	3.3
263.23563	2.0
269.22552	8.7
275.23654	2.0
276.07697	2.0
277.08536	2.7
281.08075	1.8
287.23682	11.5
291.10126	10.2
293.08240	1.6
293.24966	1.9
295.05615	1.4
305.17389	2.8
305.24817	17.2
306.25085	1.4
308.09872	2.0
309.10153	3.0
309.84280	1.8
323.06039	10.7
323.09015	7.5
323.12247	18.9
323.25827	80.6
324.06097	4.3
324.09454	2.8
324.26083	3.9
343.25607	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	323.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
69.03419	0.3
70.06584	0.9
71.54105	0.5
72.08142	1.3
72.71812	0.3
74.57462	0.2
81.03410	0.4
84.08131	1.5
85.02896	1.3
85.06535	0.3
94.06557	0.7
96.08123	3.1
97.02870	0.5
97.58484	0.3
98.06052	0.6
98.09692	0.7
108.15631	0.3
109.02839	0.3
112.07594	4.5
112.11237	0.4
114.09164	3.5
122.06040	0.5
123.05552	0.7
124.07587	0.3
124.11281	0.3
127.55193	0.3
130.05077	0.3
130.06514	0.9
136.07590	0.3
138.09106	0.3
140.07071	0.4
146.05978	1.1
146.09669	0.6
147.04385	1.6
148.07574	0.4
150.09125	1.5
156.10196	4.1
158.06032	2.7
159.06546	0.3
162.05472	0.4
163.03934	0.3
164.10744	0.3
166.12305	0.4
173.07106	1.6
174.05432	0.5
175.78278	0.3
180.10197	0.6
185.04091	0.3
192.10182	0.4
203.08080	0.4
206.11722	0.8
210.11255	0.7
216.10139	0.3
235.14420	2.0
243.14845	0.4
245.16481	11.3
246.16808	0.4
259.07104	0.6
261.08655	0.4
261.16022	0.4
261.19574	1.7
263.17526	100.0
264.17880	3.4
305.15237	0.4
305.18512	3.0
306.18460	0.4
323.19614	74.0
324.19949	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	323.1274
Annotation	Bauhinoxepin A
Peak:m/z	Relative Intensity
54.52456	0.4
55.01843	0.7
55.05478	0.7
57.07063	0.6
67.05472	1.7
69.07061	40.7
70.41843	1.9
79.05470	0.7
79.33865	0.5
81.03382	0.4
81.07026	1.3
83.60654	0.4
85.02861	1.4
91.05446	1.5
93.06985	1.1
95.04937	0.4
95.08560	0.8
97.06508	0.4
103.05435	1.0
105.06985	0.6
107.04964	0.6
107.08553	0.8
109.10109	0.7
115.87556	0.4
119.04900	1.0
119.08546	1.0
121.10116	0.7
123.04446	2.0
124.35943	0.4
129.07018	0.9
131.04875	1.6
131.08513	0.4
133.02803	1.1
137.01343	0.7
137.02324	9.2
141.01807	0.5
141.06946	1.2
145.02826	1.1
147.04419	2.0
153.06940	1.8
155.08516	2.1
157.02892	0.6
157.06429	0.5
161.13216	0.5
165.07002	3.7
169.06432	0.6
170.36961	0.5
171.08040	0.9
181.06441	1.5
183.08052	6.1
189.09001	0.4
192.97072	0.4
196.49689	0.5
197.06009	0.6
199.07523	9.3
201.09027	0.5
211.07536	4.2
213.09059	0.6
221.05859	1.0
224.04712	0.5
225.05473	0.5
227.07027	4.6
237.05426	1.9
238.06149	0.4
239.07005	19.1
240.07486	0.5
250.06242	0.4
252.04230	0.5
255.06500	87.7
256.06946	2.5
267.06500	100.0
268.06839	3.4
281.08072	0.6
285.07559	1.4
291.19293	0.4
300.06625	0.5
305.12466	1.0
308.09299	0.5
316.17139	0.5
323.05444	2.9
323.12753	95.1
324.13049	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	323.1275
Annotation	AC1NSVWC
Peak:m/z	Relative Intensity
53.03925	0.1
53.24546	0.1
55.01869	0.6
55.05508	0.4
55.52411	0.1
57.07063	0.2
58.06613	0.2
65.03928	0.5
67.05498	4.2
68.46571	0.2
68.99783	0.8
69.03413	0.2
69.07066	0.4
71.36456	0.1
71.36809	0.2
79.05493	0.4
81.07042	1.1
83.08632	0.3
85.06551	0.2
91.05466	0.4
93.07029	0.5
94.19006	0.2
95.04965	5.6
95.08585	0.8
99.94244	0.1
105.07032	0.6
107.04913	0.4
107.08599	0.3
109.06506	0.2
109.10159	0.4
114.17278	0.2
114.92603	0.1
116.98601	0.2
117.07000	0.2
119.04932	0.2
119.08576	0.5
121.10135	0.3
123.04418	100.0
124.04761	1.3
128.06206	0.5
131.08551	0.2
133.10121	0.4
135.04427	0.5
137.05936	0.2
143.08522	1.1
146.07300	0.2
147.04401	6.2
147.08061	0.3
148.05141	0.3
149.05763	0.1
151.71811	0.2
159.08026	0.3
159.98363	0.1
161.05974	0.8
161.09647	0.7
163.03894	1.1
167.08614	0.2
171.08040	5.1
172.08354	0.2
174.06721	1.3
175.07536	0.3
183.08081	0.2
185.09648	0.2
187.07547	0.5
189.09096	13.8
190.09431	0.3
195.08063	0.3
198.06796	0.4
199.07448	0.8
201.09081	0.9
211.07567	0.2
213.09079	1.2
219.41612	0.2
226.48865	0.1
235.07353	0.2
239.10599	0.2
240.07845	0.2
267.06522	0.6
277.00720	0.1
293.07822	0.3
295.13239	0.3
308.09756	0.4
309.09875	0.3
323.12756	25.8
323.25665	1.3
324.13120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	AC1NSVWC
Peak:m/z	Relative Intensity
53.03931	0.8
55.01863	2.5
55.05514	3.6
57.03431	1.1
57.07051	0.7
60.83063	0.7
64.00101	0.6
65.03925	1.3
67.05498	7.4
68.99785	3.7
69.03419	2.1
69.07057	5.2
70.11012	1.5
70.11429	2.2
71.01345	0.7
71.04967	1.6
72.08138	1.2
79.05496	3.3
81.03423	0.8
81.07050	9.4
83.04969	1.8
83.08608	1.2
85.02872	1.0
85.06535	2.6
91.05469	10.8
93.07043	5.2
95.04972	9.5
95.08594	7.8
97.02907	1.4
97.06510	1.6
97.10158	1.0
99.08080	1.1
103.05453	1.5
105.07034	8.9
107.04929	4.5
107.08586	5.2
109.02873	1.5
109.06524	3.1
109.10147	5.2
111.08089	2.0
113.06009	1.6
115.05445	1.8
116.06251	1.5
117.07018	2.0
119.04922	4.8
119.08558	6.1
121.02742	0.8
121.06496	1.2
121.10124	8.8
123.04419	68.2
123.08070	0.9
123.11696	2.1
124.04746	1.1
125.09644	1.2
128.06252	1.9
129.06976	3.1
130.07784	0.9
131.04922	6.6
131.08563	4.3
133.06494	2.5
133.10124	5.2
135.04375	1.5
135.08057	2.0
135.11678	2.5
137.05965	2.8
137.09529	0.9
137.13202	0.6
139.11191	0.9
141.06958	1.3
143.08586	3.2
144.05652	1.7
145.06485	3.4
145.10112	4.0
146.07262	1.7
147.04399	89.3
147.08020	7.1
147.11703	1.5
148.05087	2.4
149.05946	2.6
149.09602	3.1
149.13289	1.7
151.07578	0.8
151.11145	1.6
153.06996	0.9
155.08556	4.2
157.06497	1.4
157.10092	1.6
158.07251	4.5
159.04359	3.5
159.08011	3.9
159.11690	1.4
160.05186	1.6
161.05957	6.2
161.09604	8.4
163.07527	1.4
163.11203	0.8
165.06978	1.2
167.08601	0.8
171.04411	2.1
171.07994	1.8
173.05972	2.0
173.09587	10.0
174.06755	4.9
175.07539	8.4
176.08334	1.5
177.09097	15.2
181.12117	0.8
183.08041	1.6
185.05956	1.5
185.09595	1.8
186.06750	6.7
189.01941	0.9
189.05511	1.1
189.09088	30.1
190.09418	1.2
195.08099	1.8
197.05885	1.7
198.06766	7.7
199.07538	2.3
200.55101	0.7
201.09094	32.9
202.07664	0.8
202.09483	1.1
203.06995	1.3
203.08650	1.2
207.02989	1.6
207.10060	3.4
211.07561	1.4
213.09090	62.4
214.09531	2.1
231.08086	1.1
234.06859	0.8
239.06966	0.8
247.07484	0.8
248.08423	1.0
251.06906	1.4
253.08623	1.1
259.24286	0.7
263.06992	1.2
263.10687	1.1
267.06570	2.8
268.07388	1.1
269.07877	1.1
277.08701	0.9
277.12219	0.9
280.07297	1.5
281.08112	1.2
281.11816	0.8
287.23441	1.1
291.10150	2.1
292.40320	0.7
293.08072	0.8
295.13333	0.7
305.24698	3.9
323.05420	6.6
323.12753	100.0
323.25888	4.0
324.06070	2.1
324.13126	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	323.1275
Annotation	3,4-Didehydroglabridin
Peak:m/z	Relative Intensity
55.01856	0.8
55.05491	1.0
57.07080	0.4
61.00794	0.4
61.02918	0.4
65.03926	0.6
67.05499	2.4
68.99779	1.4
69.03413	2.3
69.07055	1.5
71.04968	0.6
71.62875	0.5
72.08147	0.8
79.05494	0.8
81.07048	2.9
83.04992	0.8
83.08576	0.4
85.02895	2.3
85.06558	0.4
91.05472	5.0
92.68819	0.4
93.07027	1.6
95.01372	0.5
95.04953	2.8
95.08608	1.9
97.02870	0.5
97.06541	0.6
97.10172	0.4
103.05460	0.5
105.03413	0.4
105.07031	2.2
107.04960	0.7
107.08575	0.9
109.02874	0.4
109.06522	0.4
109.10146	1.2
111.04480	0.4
111.08076	0.4
115.05428	1.2
116.06219	0.7
117.07006	1.4
119.08581	1.8
121.06494	0.5
121.10144	1.3
123.04421	29.2
123.11707	0.5
124.04801	0.5
125.09628	0.4
129.06999	1.8
131.04907	1.3
131.08575	2.4
131.60730	0.4
133.06482	0.4
133.10143	0.9
135.08066	0.4
135.11693	0.8
137.05930	1.0
141.01785	1.1
141.06961	1.5
142.07765	1.1
144.05673	2.2
145.06505	1.9
145.10112	0.9
147.04404	3.4
147.11652	0.6
149.05910	0.8
149.09538	0.4
149.13353	0.5
150.87360	0.4
155.08588	0.5
157.10095	0.9
158.07263	1.1
159.04411	2.4
159.08044	4.7
159.11708	0.5
161.02374	0.4
161.05988	1.0
161.09554	0.5
161.13246	0.5
169.06509	0.5
170.07225	0.5
171.04358	0.5
171.08008	0.6
172.05150	1.0
173.05931	2.7
173.09657	0.7
175.07587	0.6
183.08029	0.4
185.05963	1.0
185.09641	2.4
186.06773	3.0
187.07532	38.2
188.08063	1.7
189.01816	0.7
189.09079	1.6
197.06004	0.8
198.06731	2.8
199.07487	1.1
201.09093	47.8
202.09460	1.3
207.02835	0.6
213.09094	9.1
213.10985	0.8
231.08112	0.6
248.08406	0.5
263.10785	0.8
267.06421	0.6
291.10193	0.8
305.11789	0.8
309.09903	0.7
323.05270	4.2
323.09607	4.1
323.12747	100.0
324.06113	1.6
324.12994	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	323.1274
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.05505	5.4
56.02260	0.8
56.96552	1.4
57.03413	1.3
57.07067	2.2
59.04976	1.3
65.03942	1.0
67.05495	9.4
69.03442	4.2
69.07057	9.4
70.06573	0.9
71.04978	2.2
72.08145	2.3
79.05486	6.8
81.03395	1.6
81.07053	18.8
83.04969	2.8
83.08601	2.0
84.08146	1.2
85.02871	1.6
85.06532	3.9
86.09711	1.0
91.05459	6.7
93.07027	12.1
94.04166	1.1
95.04978	4.2
95.08592	16.2
97.02900	2.1
97.06501	3.4
97.10158	1.0
98.97569	1.7
99.08052	1.4
103.05459	2.0
105.07014	12.2
107.04949	1.9
107.08588	8.9
109.06496	3.9
109.10146	15.6
111.08076	3.8
111.11702	1.2
113.06009	1.3
115.05445	3.2
116.55758	0.9
116.98578	1.0
117.06966	1.6
118.79442	1.1
119.04932	0.8
119.08589	5.8
121.06467	1.6
121.10133	8.9
122.03618	3.4
123.04440	5.0
123.08038	1.6
123.11670	6.6
125.05989	1.2
125.09566	1.4
127.07535	1.0
128.06192	2.0
131.04886	1.7
131.08546	2.0
133.06477	7.7
133.10095	5.6
135.08035	1.8
135.11690	5.8
137.05962	56.1
137.09576	1.3
137.13237	2.3
139.05493	0.9
139.11189	2.6
141.31520	0.8
143.08557	1.2
145.06439	1.0
145.10123	3.9
146.03606	9.0
147.04390	3.3
147.11681	3.7
149.05952	1.8
149.09593	3.7
149.13268	4.8
151.03889	2.2
151.07559	2.0
151.11159	1.0
153.05490	1.3
155.10724	1.2
156.05647	1.2
157.10091	1.8
159.11703	2.9
161.05963	88.4
161.13272	1.9
162.06406	2.0
163.03947	1.4
163.11217	1.3
163.14764	1.8
165.12773	1.0
167.06905	1.4
169.10159	0.9
171.07997	1.7
171.11684	1.7
173.05791	1.0
173.13281	2.6
175.07523	2.1
175.14806	2.5
177.00668	1.3
177.05429	1.6
177.16393	2.1
184.05188	1.8
187.07584	1.2
187.14818	1.7
189.16422	0.9
191.08569	2.9
191.14264	1.3
192.09267	2.4
199.07523	12.8
199.14795	1.3
201.00432	0.9
201.09128	1.1
202.07765	15.5
203.08543	26.6
204.09108	1.5
205.06409	2.3
205.10048	0.9
215.08551	1.4
219.01764	1.2
219.08076	7.8
220.08850	6.7
230.07277	3.0
231.08032	44.9
232.08749	7.7
233.20253	1.1
235.07452	1.2
235.11148	2.2
237.09126	2.0
245.09529	1.3
247.07460	8.0
248.08298	19.6
249.08913	2.8
258.06714	3.8
259.07520	29.9
260.08273	16.6
261.09000	2.4
262.09845	3.1
263.10645	23.0
264.11023	1.5
265.08630	4.1
269.22607	2.5
271.05975	9.3
272.06253	1.1
273.06161	0.9
273.09100	1.6
275.07098	4.1
275.23944	1.1
276.07782	15.0
277.08478	5.3
280.10800	1.1
287.23651	3.9
291.10123	69.4
292.10760	7.3
293.08026	5.6
295.09732	1.0
295.13260	3.9
305.17310	1.0
305.24750	4.9
307.09756	1.2
308.07108	1.4
308.10187	5.9
309.10190	0.9
323.09360	5.5
323.12741	100.0
323.22827	2.7
323.26224	4.9
324.13058	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	323.1275
Annotation	Bauhinoxepin A
Peak:m/z	Relative Intensity
55.01848	0.5
55.05476	0.5
58.17306	0.2
65.03931	0.5
67.05453	0.4
69.03407	0.4
69.07068	0.5
71.04962	0.2
72.08121	0.4
81.07016	1.0
85.02892	0.4
91.05463	1.6
93.07020	0.3
95.04968	0.3
95.08582	0.9
97.79961	0.2
98.97621	0.3
105.03378	0.3
105.07002	0.4
107.04928	2.2
107.08522	0.3
109.10158	0.5
115.05454	0.3
116.98641	0.3
119.04903	0.7
119.99361	0.3
121.02828	1.0
121.10096	0.6
123.04399	0.4
126.70399	0.2
129.06966	0.9
129.44029	0.2
131.04904	0.3
133.10065	0.3
137.05977	0.5
141.06947	0.3
145.02832	0.5
147.04420	0.4
149.02295	1.0
153.06975	0.5
154.07800	0.3
155.08498	1.0
157.06453	1.7
161.02319	0.6
161.05972	0.3
165.06996	2.4
167.03394	0.5
173.06033	0.2
183.07961	1.2
185.05969	0.5
193.06477	0.7
195.04407	3.3
204.32011	0.3
211.07501	1.3
213.05434	0.2
221.05954	0.8
237.05545	0.3
239.07027	4.1
240.07681	0.3
249.05396	0.8
258.99588	0.2
267.06497	100.0
268.06882	3.4
308.09268	0.4
309.09744	0.4
315.09872	0.2
323.05411	1.4
323.12753	55.9
324.05948	0.3
324.13123	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	323.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14481	1.3
55.01856	1.4
55.05501	3.9
57.03440	7.3
61.02924	1.7
63.62978	1.1
67.05499	3.8
69.03419	5.2
69.07054	2.6
69.87137	2.4
69.87559	5.6
71.01334	4.9
71.04987	16.0
73.02905	3.7
75.04478	10.5
79.05460	2.5
81.07034	4.6
82.14912	1.2
83.04980	13.3
85.02902	100.0
86.03210	2.7
87.04462	1.9
91.05452	2.8
93.07023	3.4
95.01311	12.8
95.04959	4.7
95.08587	4.1
97.02876	3.9
97.06511	1.3
99.00798	2.9
101.06024	1.3
103.03922	2.7
105.07017	3.0
107.04929	1.7
107.08556	3.1
109.02846	1.5
109.10138	2.8
111.04441	7.0
113.02369	3.6
113.05996	3.2
114.81508	1.2
117.06997	1.4
119.08543	1.4
121.02858	1.8
121.10114	1.5
123.04418	2.4
127.03954	1.8
129.05479	17.1
133.10103	2.2
135.11716	1.6
137.02309	1.7
137.05942	1.7
141.01816	31.8
147.04378	1.9
147.06490	10.8
149.05896	1.2
151.11105	1.4
157.04944	2.1
157.39905	1.4
159.02866	7.9
171.06609	2.0
173.13167	1.4
177.05391	1.9
183.02975	1.7
185.13191	1.5
189.01807	2.0
201.03915	1.8
207.02867	2.3
227.17934	1.3
259.08002	3.6
267.06372	3.5
269.06607	3.0
287.07483	2.1
291.10110	1.4
305.08655	5.2
309.09845	3.0
323.05612	12.8
323.12738	7.6
323.18179	1.6
323.27243	4.2
324.05817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34855	1.0
55.05503	4.9
57.03433	7.8
61.02912	2.1
65.03918	1.9
66.10119	1.2
67.05486	4.2
69.03413	4.7
69.07055	4.0
70.93980	3.4
71.01347	4.8
71.04989	17.4
72.08147	1.6
73.02899	3.9
75.04488	7.5
79.05475	2.7
81.03407	1.8
81.07071	6.4
83.04965	9.9
83.08595	1.6
85.02901	100.0
86.03271	1.3
87.04464	3.3
91.05471	3.3
93.07050	2.4
95.01334	11.0
95.04954	6.0
95.08595	7.9
97.02876	3.9
97.06506	1.6
99.00775	1.4
99.04457	1.8
101.02350	1.3
101.05978	1.8
103.03947	2.1
105.07019	3.0
107.08582	3.1
109.02885	1.8
109.06479	2.7
109.10123	3.1
111.04456	10.9
111.08125	1.6
113.02373	2.8
113.06004	2.2
119.08561	2.3
121.06483	2.1
121.10111	1.6
123.04430	15.0
123.11729	2.3
129.05476	20.1
133.10133	1.9
135.11703	1.2
137.05966	3.9
138.65207	1.2
141.01817	32.3
145.10159	1.3
147.04491	2.6
147.06496	10.7
147.11621	1.9
149.09602	2.5
157.10114	1.8
159.02901	6.5
159.08025	1.7
159.11646	1.6
161.06007	4.2
161.09630	1.8
171.06564	1.3
171.08136	1.4
177.03928	1.4
183.02895	1.7
185.13304	1.7
187.07585	1.8
189.09163	1.9
201.03938	2.1
207.02898	1.5
222.42313	1.2
222.73746	1.2
223.05974	1.4
227.10480	1.4
241.07123	1.8
259.07947	2.6
267.06332	1.5
269.06601	2.0
277.08871	1.4
287.07489	2.1
291.10120	1.6
305.04022	1.3
305.08728	4.6
305.24875	1.6
323.05682	10.4
323.09140	4.4
323.12686	12.9
323.27396	5.6
324.06085	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	323.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28770	1.6
53.46581	1.1
55.01855	2.1
55.05509	7.1
57.03419	9.9
57.07061	1.7
58.06580	1.6
59.04984	1.9
67.05491	6.2
69.03426	6.0
69.07038	3.2
71.01340	6.5
71.04982	17.2
71.61708	3.0
73.02901	4.9
75.04473	10.1
79.05485	5.6
81.03408	2.2
81.07055	5.7
83.04972	12.1
83.08601	2.8
85.02896	100.0
85.06535	1.9
86.03230	2.0
87.04459	2.0
91.05470	5.8
93.07041	4.4
95.01310	14.0
95.04945	6.3
95.08585	5.9
97.02882	6.2
97.06565	2.4
97.10136	2.2
99.00831	1.9
99.04441	1.5
101.06006	2.3
105.07018	4.1
107.04912	2.3
107.08588	5.1
109.02861	2.6
109.06494	3.5
109.10160	4.0
111.04416	9.7
113.02374	3.1
113.06001	1.7
119.04929	1.3
119.08560	5.1
121.06464	2.9
121.10153	4.1
123.04418	35.1
123.08053	1.8
123.11666	2.0
125.05960	1.8
125.09595	2.5
129.05481	15.0
129.06987	1.8
131.08543	3.2
133.06512	2.3
133.10127	4.1
135.04387	2.0
135.08041	1.8
137.02396	2.1
137.05997	2.6
141.01810	33.6
143.08539	2.5
147.04399	9.0
147.06503	9.6
147.08015	1.6
147.11684	2.0
149.05952	2.4
149.09560	1.5
149.13181	1.5
157.04967	4.1
159.02884	7.6
159.08070	2.0
159.11746	2.1
161.06013	2.7
161.09647	2.2
163.03838	2.8
169.10043	1.9
171.06487	2.2
171.08083	1.6
173.09549	1.5
177.09137	2.8
187.07545	5.6
189.01706	1.7
189.09077	8.6
195.06480	1.6
198.06790	2.4
199.07594	2.2
199.14803	1.6
201.09082	3.0
207.02911	2.4
213.09061	3.8
213.16328	1.5
245.18886	1.7
259.08041	2.9
267.06519	4.1
269.06531	2.3
273.18515	2.2
287.07574	3.9
291.10138	2.3
294.07837	1.5
305.08603	6.3
305.21201	2.7
308.09372	1.7
309.09967	1.6
323.05762	15.9
323.09195	5.3
323.12726	32.3
323.22015	1.9
323.27216	8.0
324.05948	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	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20769	2.1
70.14784	13.5
74.78682	2.3
79.86781	2.2
83.57765	2.5
112.71767	2.2
126.72418	2.2
300.15414	2.5
323.07361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
53.30656	0.5
55.01858	0.8
55.05509	5.3
57.03448	0.5
57.07071	0.7
58.50935	0.4
60.04527	0.6
62.06085	100.0
67.05499	17.8
69.07066	4.9
70.01376	1.5
70.01787	1.4
79.05489	9.9
81.03444	0.5
81.07050	16.0
81.07511	0.8
83.08620	1.9
91.05468	4.7
93.07038	11.1
95.04979	1.7
95.08602	11.0
95.09162	0.9
97.06534	1.2
97.10201	1.9
98.06059	0.8
105.07005	2.8
107.08589	6.0
108.17374	0.5
109.06516	0.7
109.10146	5.8
111.08083	0.5
117.07022	1.3
118.98554	0.6
119.08553	2.5
121.06544	0.6
121.10136	4.4
123.11745	2.3
125.09668	1.5
130.08566	0.6
131.08542	2.5
133.10158	2.1
135.11685	2.7
137.13269	0.7
144.10178	0.7
145.10168	1.9
147.11717	1.4
149.13266	2.0
159.11751	1.6
161.13242	1.0
163.14914	0.7
173.13287	1.2
177.16435	1.1
186.14983	1.6
198.15019	0.8
202.04639	0.5
212.16463	0.7
214.18135	0.6
223.13354	0.8
225.80867	0.6
228.19650	0.9
243.21123	1.8
261.22150	3.9
280.29568	0.6
291.19492	7.4
298.81699	0.5
299.00833	0.5
304.26413	1.8
305.21149	1.4
305.24887	1.6
318.50967	0.5
322.27393	15.0
323.27933	0.5
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
55.05510	3.6
57.07066	1.4
58.06605	0.8
60.04522	1.4
62.06085	100.0
67.05501	15.3
69.07065	3.7
69.93221	0.9
69.93634	2.4
70.02961	0.6
70.57211	0.5
71.08595	0.9
73.02940	0.6
79.05489	9.2
81.07052	16.1
82.01453	0.6
82.54446	0.5
83.04993	1.0
83.08614	1.4
85.02901	1.7
91.05476	4.6
93.07040	13.7
94.07407	0.6
95.08601	16.3
97.06541	1.4
97.10173	0.7
99.04494	0.8
99.08098	1.1
105.07002	3.7
107.08588	8.2
109.10153	5.7
117.07007	0.9
119.08561	2.9
121.10137	5.9
123.11697	2.2
130.08609	0.6
131.08545	3.3
133.10130	2.6
135.11716	3.9
135.19281	0.6
137.13280	1.1
142.12253	1.2
144.10199	0.9
145.10057	2.9
147.11691	2.0
149.09613	0.7
149.13287	2.0
151.14871	0.7
158.11737	0.8
159.11687	1.7
161.13295	1.4
163.14835	2.1
163.28195	0.6
172.13332	1.8
173.13313	1.9
177.16382	3.2
186.14871	1.6
187.14803	1.4
214.18053	1.0
217.19778	0.6
219.21048	0.7
243.21149	4.6
252.19592	0.7
261.22174	4.8
262.22003	0.6
304.26385	2.1
305.24588	3.1
322.11346	1.1
322.23849	1.1
322.27356	23.7
323.05649	1.7
323.12567	1.0
323.27512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05499	3.3
56.73921	0.7
57.07062	1.3
58.06584	0.7
60.04507	1.8
62.03685	0.7
62.06084	100.0
65.03925	0.8
67.05499	15.2
68.37180	0.6
68.93633	0.9
68.94036	0.7
69.07074	3.8
69.52714	6.8
71.08631	1.0
72.08157	0.9
79.05482	7.2
81.07047	17.6
83.08609	2.2
85.06516	0.8
88.03994	0.9
89.49105	0.8
91.05470	4.3
93.07029	12.8
95.05003	1.0
95.08598	12.6
97.06535	1.4
97.10162	0.8
98.06062	1.0
98.97546	0.8
105.07044	3.8
107.08591	8.8
109.10151	5.8
116.98586	1.1
117.06992	1.5
119.08559	3.4
121.10123	6.6
123.04437	5.0
123.11710	2.2
131.08560	4.5
133.10118	2.2
133.74951	0.7
134.99600	1.0
135.04256	0.8
135.11679	4.1
137.05907	1.1
137.13231	1.1
144.10176	1.6
145.10118	2.5
147.04384	2.9
147.11678	1.9
149.09578	1.5
149.13263	2.4
159.11668	2.8
161.13271	1.8
163.11172	1.0
163.14851	1.8
172.13246	1.0
173.13187	1.1
175.07465	0.8
177.16367	2.5
186.14870	1.7
187.07530	0.9
187.14760	1.0
201.09076	0.8
213.09003	1.8
214.18048	0.9
226.17987	0.9
227.23778	1.0
233.22656	1.7
240.19450	1.0
243.21027	5.5
261.22177	5.2
304.26251	1.3
305.24811	1.7
308.09360	0.7
322.07874	1.2
322.11356	2.4
322.20929	1.4
322.27399	24.1
323.05524	1.9
323.09125	1.7
323.12674	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	322.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42650	0.7
55.01877	1.0
55.05520	2.2
56.05025	2.2
56.09017	0.7
56.96554	1.2
57.03422	0.8
57.05810	1.2
58.06599	3.8
59.72125	0.7
60.04529	3.6
61.02921	1.2
67.05499	1.3
68.05026	0.8
69.03424	13.1
69.07070	5.8
70.06584	7.9
70.67196	2.2
71.04987	2.1
71.08630	2.5
72.04520	0.9
72.08151	23.0
74.06068	1.6
79.05507	2.9
81.03439	0.9
81.07054	1.9
82.06573	8.3
83.04974	1.2
84.04510	3.7
84.08131	4.7
85.02890	6.9
86.06084	1.0
86.09702	2.5
87.14214	0.7
89.10786	0.9
91.05461	1.0
93.07037	2.5
94.06572	3.7
95.04929	1.1
96.04504	1.3
96.08119	5.3
97.02886	7.2
97.06553	2.2
97.08884	2.3
97.54833	0.7
98.06042	4.1
98.09692	2.2
98.97609	1.0
100.07616	1.7
107.04948	1.6
107.08541	1.0
108.08108	4.8
109.02899	1.9
109.06488	1.2
110.06036	9.4
110.09666	4.3
112.07594	3.9
112.94370	0.6
114.05537	1.4
114.09155	7.1
115.07566	3.1
115.08709	0.9
116.07056	1.2
116.10739	1.2
116.98632	1.1
119.04926	1.7
119.08566	1.2
120.08119	3.7
121.02835	1.3
121.10148	1.0
122.05996	1.7
122.09647	1.6
124.07584	2.9
124.11236	1.6
125.06007	1.0
126.05504	1.3
126.09161	2.4
127.03917	2.2
127.08681	1.0
131.04878	0.9
134.09665	2.3
136.07599	3.6
136.11169	1.7
137.06001	0.9
137.10765	6.1
138.09102	3.5
141.10185	4.0
142.08644	9.6
143.07053	4.1
144.06549	2.7
146.05959	1.1
147.04414	6.7
147.29732	0.8
148.07562	1.0
148.11192	1.9
150.09123	7.1
152.07135	1.0
152.10680	1.6
155.11784	98.6
156.10243	0.8
156.12134	1.0
160.07614	1.8
160.09706	8.2
160.11073	1.4
162.07635	2.1
162.09137	11.4
163.03911	0.9
164.07053	1.2
164.10732	5.7
174.09158	0.9
177.00711	1.2
177.05450	1.4
180.10172	1.8
184.09695	2.5
185.04254	1.8
188.10677	1.1
195.14920	1.4
202.10684	1.8
205.13353	3.0
207.06575	1.1
207.14932	4.1
209.16499	2.5
211.43581	0.8
213.15953	1.6
216.06584	1.4
218.11815	1.4
223.14381	4.2
225.15988	2.8
233.16478	1.8
239.11336	0.9
243.14865	1.0
245.12462	1.9
245.16521	2.2
247.14236	1.2
261.15979	1.1
263.13855	1.1
263.17648	2.0
268.11746	1.1
269.12659	1.3
273.15833	1.6
275.17542	3.4
286.12579	3.0
286.15411	1.1
287.13904	0.9
287.17435	1.0
292.20224	3.3
293.18549	3.1
299.06100	1.4
304.13663	2.8
304.16504	1.9
304.20117	3.2
305.14819	3.3
305.18112	0.9
322.17722	10.1
322.21210	100.0
323.07428	3.8
323.15799	1.7
323.21539	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	322.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.33629	0.8
55.01858	1.9
55.05505	11.7
56.96554	3.2
57.03419	1.4
58.06579	1.2
60.04525	1.0
67.05501	1.1
69.03420	4.0
69.05798	2.5
69.07056	1.8
70.06586	20.5
71.01366	1.1
71.06754	1.2
71.07066	1.4
72.08147	100.0
73.02882	0.9
73.06548	1.9
73.08487	2.0
74.06063	2.0
77.00893	2.3
81.03438	2.3
81.07053	1.4
82.06596	1.5
83.05010	1.0
84.04481	1.4
84.08124	5.6
85.02905	5.1
86.06052	1.5
86.09699	6.1
87.04465	1.8
89.10784	21.1
91.05475	5.7
93.07021	1.1
93.70182	1.1
94.06593	1.2
95.01358	0.8
95.01939	2.4
95.04951	2.3
97.02902	2.8
98.06047	26.9
98.09695	2.5
99.09208	3.0
100.07587	1.1
103.05459	2.7
105.07028	3.0
107.04948	2.1
107.08604	1.1
109.02866	2.0
110.06050	1.3
110.07137	2.0
111.04462	1.0
114.09158	1.6
115.08674	27.3
116.07093	1.8
116.09042	1.3
116.98605	2.0
117.07045	1.0
118.04168	1.4
118.06542	1.2
119.01885	5.3
119.04930	5.3
120.08079	4.5
121.02857	1.6
121.06522	1.3
123.04475	1.8
124.07642	1.5
125.09631	0.9
127.03901	2.3
127.08664	9.5
128.04984	3.5
130.06557	1.6
131.04950	7.6
132.04453	1.3
133.02853	1.0
133.06490	3.1
134.03664	1.5
134.06004	1.0
134.99702	1.1
135.04422	1.3
135.07913	1.1
137.02959	4.0
137.05962	5.0
138.05539	1.7
140.07202	1.3
142.08633	1.4
145.02853	3.0
145.05141	1.2
145.06396	1.1
146.06010	3.4
146.99625	1.6
147.04395	16.5
148.05106	2.9
149.02333	1.1
149.05942	1.3
150.06700	1.1
151.07512	2.1
152.07057	2.2
156.04428	7.8
158.05969	1.4
159.04468	1.3
160.03912	11.0
160.07556	2.8
160.09706	3.1
160.10977	0.9
161.02333	1.2
161.04727	1.6
161.05991	6.6
162.05458	1.3
163.03943	3.2
163.06245	1.3
163.07558	2.8
164.01573	4.3
164.07028	1.9
165.05385	1.3
166.08611	3.0
170.12837	1.1
170.61122	1.1
173.04716	1.6
174.05443	5.6
175.03906	3.4
175.06242	1.2
176.04683	9.2
176.07066	2.3
177.00960	1.1
177.02414	3.9
177.04105	1.9
177.05452	7.1
177.07805	1.4
178.06241	1.6
178.08530	1.4
179.05624	2.6
184.03911	10.7
188.01643	1.8
188.03409	1.3
188.07063	6.6
189.00011	1.6
189.05463	3.1
190.08685	2.1
191.06963	3.3
192.01167	1.0
192.06548	12.7
193.04921	1.2
195.03255	1.3
202.04941	5.7
206.08167	2.9
206.11713	2.1
207.06558	4.8
207.08409	1.2
208.09628	1.2
211.07272	1.4
216.06528	33.9
217.05003	2.0
218.11723	2.7
223.14584	1.4
227.11868	1.3
229.13284	1.2
234.02167	27.7
234.07349	4.6
234.11234	2.2
235.02515	1.5
237.02817	1.5
240.12202	2.0
241.03362	1.0
241.05681	2.4
245.12701	1.2
247.12038	1.5
247.14384	1.0
248.12741	1.2
251.07626	0.9
256.09518	1.1
263.13834	1.5
264.14606	5.0
268.11636	4.0
269.12711	1.1
272.13885	1.9
273.12244	1.0
277.15604	1.7
281.05066	3.1
282.15234	1.1
286.12701	6.4
287.13849	11.3
290.14890	5.2
304.13617	3.6
304.16602	13.7
305.09381	4.4
305.14883	14.6
305.18118	1.5
313.12283	1.0
322.11652	10.1
322.14676	3.1
322.17654	57.1
322.20837	2.0
323.11606	4.1
323.15891	1.8
323.18649	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53216	2.2
55.01863	3.6
55.05508	14.2
56.05022	6.5
56.96563	6.7
57.03429	6.5
58.06575	3.7
59.04976	4.6
60.04523	61.2
60.05610	5.5
61.02892	5.8
68.05035	4.1
68.99771	2.8
69.03428	23.2
69.06721	4.4
69.07064	73.3
70.06244	2.9
70.06588	39.2
71.04961	3.4
71.08633	12.2
71.62309	4.9
72.04506	3.7
72.08150	100.0
73.02901	5.7
73.06542	5.7
74.06055	11.6
79.05476	4.5
81.03402	10.3
82.06552	6.8
83.04979	3.1
84.04502	16.4
84.08154	14.5
85.02902	54.5
86.06074	5.9
86.09702	25.2
87.04424	2.6
88.03968	3.2
89.10777	9.2
91.05455	10.3
93.07003	3.8
94.06593	2.5
95.04963	3.1
95.08591	4.0
96.04484	13.5
97.02886	56.8
97.06538	12.8
97.07656	3.7
98.06043	15.9
98.09680	8.2
98.97590	4.7
99.04394	2.6
102.05514	5.0
103.03907	3.5
103.12314	2.6
105.07047	3.4
107.04920	8.9
108.04441	3.1
109.02869	6.9
110.02381	4.8
110.06025	4.2
110.07135	10.0
114.05504	3.7
114.09161	23.4
114.10285	12.2
115.03922	5.6
115.07560	37.4
115.08665	6.1
116.07076	5.1
116.98601	5.7
119.01900	8.7
119.04930	21.1
119.08584	3.1
120.08096	4.3
122.06016	6.7
123.04395	4.5
124.07594	3.9
126.05496	11.1
127.03890	20.9
129.10234	5.9
131.04924	6.3
131.12939	6.3
134.03571	4.0
134.99683	3.0
135.04376	2.9
136.07567	5.5
137.02974	2.9
138.09126	4.2
140.07074	3.5
142.08618	71.9
143.07016	59.7
144.06538	32.9
145.02826	7.3
145.04924	3.5
145.06479	3.3
146.05965	3.7
146.07967	3.2
147.04399	98.0
148.04707	9.2
148.07597	3.1
150.09117	2.8
152.07048	7.6
155.11784	15.3
157.10832	4.4
158.05957	3.5
159.04454	3.0
160.06071	4.1
160.07567	3.5
160.09677	89.1
161.02185	5.8
162.06653	2.3
162.07637	25.3
163.03902	7.6
164.07051	2.8
166.11172	2.9
167.07016	2.8
173.07124	6.8
174.07465	8.0
175.03854	3.8
176.07002	3.7
177.02303	4.5
177.05450	11.6
179.05482	4.8
180.08679	7.1
184.09682	34.6
185.04211	7.9
188.07187	2.7
189.10254	3.1
190.10556	7.0
192.06474	4.2
202.06816	4.3
202.10698	25.1
203.05267	3.7
203.11288	4.4
204.12151	3.3
207.06505	6.4
208.09604	3.1
216.06529	3.6
218.11729	9.4
219.11977	3.4
233.12781	3.5
234.02193	4.3
235.14346	6.9
240.12097	3.8
244.11957	3.1
245.12456	8.7
249.08905	2.7
251.07430	4.8
258.13171	8.1
263.13422	6.6
268.11591	10.3
273.47662	2.9
276.76395	2.8
277.16577	3.0
281.05020	4.4
283.86996	2.5
286.12830	15.6
291.12982	5.9
295.16202	6.9
304.13617	19.6
304.16891	3.3
304.20129	2.7
305.15488	4.0
313.15799	4.5
315.12381	2.7
322.14603	46.2
322.17960	20.1
322.21451	21.2
323.07336	13.5
323.16052	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	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
53.40730	1.5
53.66314	1.8
55.01859	4.0
55.05513	8.3
56.05024	5.1
56.15326	1.7
56.96570	10.9
57.03424	7.0
58.06600	3.4
58.11134	1.9
59.04991	6.3
60.04522	33.6
60.05631	4.3
61.02905	5.9
67.05494	3.8
68.05016	3.3
69.03426	22.1
69.07063	56.3
70.06590	43.9
71.04977	5.8
71.08631	17.5
71.61025	2.9
72.04526	2.4
72.08156	27.7
73.02914	6.3
73.06530	2.8
74.06080	11.3
79.05492	2.5
81.03407	10.4
82.06591	3.7
83.04979	4.7
84.04494	16.5
84.08134	14.1
84.96077	2.3
85.02900	52.2
86.02415	2.2
86.06058	2.9
86.09696	5.8
87.04464	3.3
88.07616	2.6
88.54276	1.7
89.10773	2.4
91.05470	6.0
92.03024	1.7
95.04959	2.1
96.04475	17.4
96.08133	2.8
97.02275	3.3
97.02883	59.3
97.06535	9.8
98.03188	1.8
98.06028	11.2
98.09661	4.8
98.97580	11.1
99.04448	4.9
100.07623	2.4
101.06015	4.0
101.07120	3.1
103.03928	2.5
104.05338	3.6
107.04918	2.6
108.08067	2.0
108.71478	2.0
109.02866	9.9
109.06512	2.1
110.06046	2.1
110.07105	2.0
112.03951	1.9
112.07605	4.1
112.08717	3.1
113.07147	1.7
114.05550	2.3
114.09161	23.9
115.03953	2.9
115.07563	27.8
116.07089	6.8
116.98581	9.8
119.04950	3.2
120.08092	3.5
121.06551	2.1
123.04485	2.5
123.05529	6.9
124.07600	3.1
126.05489	10.2
127.03925	15.6
128.02309	2.1
128.07059	2.0
128.10719	2.0
130.08603	2.7
134.99644	6.9
135.04347	1.9
138.09161	3.3
142.08620	100.0
143.07030	28.5
144.06537	32.1
145.04941	5.4
146.05957	2.3
146.11655	1.9
146.99553	4.2
147.03322	3.1
147.04388	17.5
151.03946	1.9
155.04681	3.8
155.11789	2.9
156.10176	6.4
157.09709	6.3
158.06004	3.0
158.08052	3.2
158.99649	4.1
160.07576	3.8
160.09689	81.6
160.13272	1.9
161.08075	5.0
162.07622	15.3
162.33435	1.8
164.05171	3.2
170.99678	2.7
175.11906	6.5
177.00673	7.1
177.04208	2.0
180.08707	4.2
184.09695	24.3
185.04172	2.5
191.11819	2.6
196.05035	2.4
201.00746	2.4
202.10738	11.1
205.05368	2.2
205.10033	7.6
208.09711	3.5
218.11801	4.9
219.01730	3.9
226.10698	2.5
227.06793	3.4
233.09439	1.9
233.35390	1.8
235.14465	2.1
237.02972	5.3
241.08340	3.4
242.07703	2.0
247.04749	1.8
250.10725	3.8
262.16052	2.4
268.11957	2.0
277.59174	2.0
286.12796	3.3
304.13739	8.5
304.16925	3.4
304.20410	2.1
309.08603	6.1
313.60107	2.0
322.06604	2.7
322.10950	4.0
322.14734	5.9
322.18445	54.2
322.21677	13.6
322.60156	2.4
323.07639	3.9
323.12045	4.7
323.16064	2.2
323.19522	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	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	5.7
56.05032	3.8
57.03432	6.4
59.04996	5.1
60.04519	60.1
61.02911	4.2
68.17767	2.0
69.03428	12.7
69.07060	81.7
70.06575	9.4
70.87184	3.6
70.87534	4.6
71.04988	2.9
71.08611	19.4
72.04519	4.4
72.08153	16.3
73.06544	5.7
74.06075	3.7
80.05030	2.1
80.46410	2.3
81.03428	5.9
84.04498	13.1
85.02899	42.9
86.02427	4.5
86.06067	3.8
87.04453	2.2
94.43410	2.1
96.04472	15.8
97.02879	61.8
97.06514	13.4
98.06068	10.0
101.02473	2.1
103.03957	2.8
109.02854	6.2
110.07148	2.7
112.07598	5.3
113.07954	2.8
114.09160	27.0
114.39984	2.2
115.03940	5.4
115.07558	48.3
116.98642	2.2
119.01905	3.3
119.04987	2.9
126.05531	12.5
127.03901	12.2
138.09120	3.8
142.08615	95.3
143.07019	61.6
144.06551	38.3
145.05025	5.1
147.04379	10.1
156.10237	2.6
160.09671	100.0
162.07607	23.8
164.09081	2.3
172.09694	7.0
173.10071	5.2
177.05580	3.0
180.08691	9.2
184.09666	43.6
199.59355	2.1
202.10713	25.3
208.09732	2.4
233.06541	2.5
250.10822	3.3
259.80853	2.3
262.16302	3.8
286.12863	6.3
304.13745	9.0
322.14835	6.4
322.18359	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	321.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86401	0.3
55.01858	0.6
55.05506	0.9
56.96552	0.5
57.04542	1.0
58.06586	0.7
58.87912	0.3
61.32120	0.3
67.05489	0.6
69.03423	1.2
69.07052	0.8
70.06585	2.2
70.24901	0.3
71.05007	0.5
71.61856	0.5
72.08151	15.7
74.07185	2.5
78.04695	0.3
79.05477	0.7
81.03407	0.7
81.07054	0.5
83.04967	0.5
84.04491	0.7
84.08130	0.7
85.02886	1.6
86.09689	1.0
87.04459	0.3
87.08028	0.3
89.03906	2.4
89.10783	2.7
91.05471	1.5
93.07034	0.7
94.06540	0.5
95.04959	0.7
95.08555	0.6
97.02871	1.6
97.06530	0.5
97.07613	0.7
97.54947	0.3
97.99865	0.4
98.06064	1.4
98.09664	0.4
98.97560	0.8
103.05437	0.4
105.07021	0.7
105.54930	0.3
107.04981	0.5
107.08600	0.5
109.02866	1.2
109.06505	0.6
109.10152	0.4
110.05977	0.4
111.04446	0.4
114.10287	4.6
115.08675	1.4
116.07059	0.4
116.98641	0.3
117.03369	13.1
117.07007	0.4
119.04915	1.2
121.06508	0.3
121.10211	0.3
123.04438	0.5
123.08051	0.3
124.07578	0.7
127.03931	0.7
128.11830	22.0
129.10262	2.7
131.04930	0.6
133.10188	0.3
134.03644	1.0
134.06012	0.4
135.04434	2.1
136.07552	0.8
137.09669	0.3
138.05473	0.4
139.03957	0.3
140.07056	0.6
142.08635	1.3
145.02832	61.2
145.14471	2.5
146.03169	1.4
146.05989	0.5
147.04388	3.6
148.07568	0.4
149.05981	6.4
149.07121	0.3
151.07533	0.5
152.07024	0.7
161.13152	0.3
162.05574	0.7
163.03914	1.4
163.07607	0.3
164.07030	0.3
167.06989	0.3
171.12354	0.7
173.02354	0.4
173.05927	0.4
175.03912	0.5
177.05453	100.0
178.05833	2.7
180.06502	0.4
184.09644	0.4
186.05537	1.3
187.03883	0.3
190.08607	1.2
196.09944	0.9
206.08377	1.2
207.06482	1.0
208.09813	0.5
210.87370	0.3
211.12312	0.8
211.87953	0.3
212.10847	0.4
217.05238	0.3
218.11682	0.5
220.10091	0.5
221.10765	0.6
223.08643	0.6
224.09436	0.5
227.08182	0.4
229.04922	0.3
232.11984	0.6
237.02658	0.3
237.10281	0.6
238.10927	0.6
239.11746	1.8
247.14430	5.2
248.12799	5.7
248.15155	0.4
249.07556	0.4
252.11412	0.5
257.12930	0.6
261.14767	0.7
265.15454	4.5
267.11237	3.8
272.11557	0.4
274.07098	0.3
275.09052	0.7
277.16406	0.4
285.12286	6.8
290.15027	2.9
303.09702	0.5
303.13315	3.2
303.16870	0.6
304.16556	6.0
312.18106	0.4
321.14716	2.9
321.19177	85.8
322.19681	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	321.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32832	0.2
55.01834	0.2
55.05491	0.8
57.04558	1.5
58.06581	0.3
60.04525	1.1
62.01599	0.2
62.34295	0.2
63.02372	0.2
67.05485	0.6
69.03412	0.5
70.02943	0.3
70.06587	3.6
71.06915	0.4
71.62994	0.3
72.08147	7.5
72.75466	0.3
73.04004	0.2
74.07172	0.8
77.04969	0.2
79.05471	0.4
81.03400	0.3
81.07049	0.6
84.08122	0.7
85.02886	0.4
86.09675	0.4
89.03909	1.8
89.10797	1.5
91.05473	1.1
93.07025	0.6
93.38693	0.2
95.04942	0.4
95.08552	0.4
97.02886	0.3
97.06508	0.4
97.07619	0.5
98.06024	0.8
105.06976	0.4
107.04944	0.6
107.08592	0.5
109.06532	0.2
109.10112	0.5
114.09551	0.3
114.10286	3.7
115.08679	1.6
117.03371	9.3
118.06466	0.4
119.04915	1.0
120.08092	0.8
121.06464	0.3
121.10143	0.4
123.04396	0.8
128.07092	0.3
128.11832	14.2
129.09346	0.3
129.10234	4.6
130.06535	0.2
134.03624	0.8
134.05995	0.3
135.04391	0.9
135.11656	0.3
136.07605	0.4
141.09047	0.2
145.02834	49.7
145.14441	0.6
146.03192	1.4
146.05957	0.6
147.04369	1.5
149.05960	4.4
151.46388	0.2
157.09760	0.3
158.05957	0.4
159.07980	0.3
159.10039	0.2
162.03105	0.3
162.05455	0.3
163.03925	1.0
167.07040	0.4
171.12498	0.2
173.13249	0.3
175.03885	0.5
177.05455	100.0
178.05798	3.4
186.05453	0.9
190.08598	1.4
203.03375	0.4
207.06493	0.6
215.06979	0.3
232.12117	1.0
244.09674	0.4
247.14406	6.0
248.12785	8.5
249.13177	0.3
259.11240	0.2
262.47385	0.5
262.80576	0.3
265.15460	2.8
275.09146	0.4
290.14987	2.1
301.07129	0.2
303.12878	0.3
304.12927	0.3
304.16522	5.4
306.16769	0.4
312.18179	0.3
321.07532	1.3
321.19180	66.7
322.08316	0.4
322.19516	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	321.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05503	3.4
56.96553	0.8
57.03438	1.1
58.06596	2.6
59.04996	0.7
65.03919	0.7
65.22029	0.7
67.05501	6.8
69.03426	4.0
69.07066	5.8
70.01408	3.5
71.04976	1.7
72.08163	1.2
79.05476	3.7
81.03411	4.8
81.07046	10.9
83.04984	2.4
83.08620	1.7
84.27137	0.7
85.02905	1.6
85.06553	2.0
86.09698	98.2
87.10029	2.0
91.05470	5.5
93.07035	8.5
95.04974	4.9
95.08595	8.5
97.02879	4.5
97.06516	2.0
97.10184	1.2
99.04459	1.0
99.08084	0.7
103.05469	2.9
105.07013	5.4
107.04950	2.8
107.08578	6.2
109.02868	4.8
109.06499	2.2
109.10156	6.8
111.08064	1.5
115.05472	1.0
117.03368	1.9
117.06989	1.3
119.04958	1.3
119.08572	5.5
120.08097	100.0
121.06525	1.8
121.08436	2.2
121.10134	5.8
123.04453	3.5
123.05222	0.6
123.08069	1.5
123.11734	3.5
125.04994	0.6
125.05944	1.5
125.09649	2.0
127.03936	3.4
128.10707	53.1
129.11099	1.1
131.04951	4.0
131.08543	2.9
133.10101	3.7
135.08025	1.2
135.11711	3.3
137.06009	0.8
137.09615	1.7
137.13217	1.0
139.03760	0.8
139.07570	0.8
139.11194	1.2
141.09071	0.7
143.08554	1.7
144.05721	1.4
145.02837	4.4
145.10124	2.8
147.04408	1.7
147.11659	2.9
149.05968	4.3
149.09610	1.4
149.13220	1.9
151.03908	3.5
151.07532	1.4
151.11176	1.9
152.04251	3.2
153.04387	2.6
153.05472	2.6
153.09140	0.7
154.05800	1.1
155.05975	1.4
155.08469	0.9
156.10187	15.3
157.10220	1.4
159.08047	1.9
159.11694	1.9
161.13231	1.0
163.11217	0.9
165.12781	1.0
166.08629	65.1
167.08919	2.6
173.13269	1.3
175.03864	0.9
175.14807	1.2
177.05452	10.9
177.12682	1.2
179.03375	1.1
181.03796	1.1
187.07523	2.0
187.14745	1.3
197.05960	1.1
201.16347	0.8
203.03185	0.8
207.06450	0.9
209.13165	0.8
211.14912	1.0
215.06993	0.8
218.09224	0.8
219.06595	0.9
223.16806	0.7
229.08533	1.3
230.11714	2.5
261.09128	1.4
271.09723	1.4
275.09106	4.9
287.04483	1.2
289.15439	2.5
293.08713	0.7
303.07861	2.9
303.15836	1.3
303.23120	4.0
309.08099	0.8
321.07513	9.7
321.14563	1.1
321.20370	1.5
321.24286	4.7
321.64731	1.3
322.04761	0.8
322.08057	1.7
322.17288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1442
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
55.05490	3.4
56.96547	2.2
58.88119	0.8
60.05627	1.5
61.02923	1.0
65.03922	2.0
67.05500	9.4
69.03407	2.5
69.07062	1.7
70.06578	7.3
70.12830	3.5
70.13239	1.8
71.04984	1.0
72.08150	20.6
72.08549	0.8
73.02907	1.7
79.05470	3.6
81.03387	1.0
81.07018	1.4
81.42609	1.0
82.06559	2.0
82.30901	0.9
84.08140	5.1
85.02882	3.5
86.09689	1.9
89.10772	1.7
91.05449	3.4
93.07020	2.8
94.06564	7.8
95.04963	3.8
95.07311	2.3
96.08106	1.8
97.02864	2.4
97.06475	1.6
98.06033	3.4
98.09660	2.3
98.97531	1.3
103.05428	1.0
105.06998	1.4
107.04925	3.7
107.07336	2.0
108.08115	8.1
109.02827	1.6
109.10072	0.9
110.06010	3.5
110.07148	1.3
110.09650	2.9
111.04445	1.3
112.07516	1.8
114.05498	1.7
114.10263	2.3
115.08635	0.8
118.06490	1.2
119.04916	3.4
120.08071	3.6
121.02825	1.5
121.33448	0.9
122.06027	8.5
123.06810	1.2
131.12880	1.3
132.08150	1.0
134.05994	1.2
136.07581	5.7
137.05988	1.6
138.05493	26.1
138.09131	5.5
139.03914	1.4
140.07066	1.4
142.08658	1.7
144.08008	1.2
145.06511	1.0
146.05969	1.4
146.08391	1.7
146.09555	1.4
147.04401	15.9
148.04695	2.0
148.07565	5.9
150.05479	1.5
152.07001	1.4
154.08687	1.4
155.07123	0.9
155.11754	4.3
156.06537	10.9
158.05986	1.1
158.09604	2.3
160.09702	1.2
162.05435	3.5
162.09135	2.0
163.03848	1.4
166.08632	10.2
167.07076	1.2
169.08836	1.8
170.09607	1.2
172.07530	1.3
173.07048	3.6
173.10747	1.6
174.07835	2.6
174.09177	1.7
177.05444	2.0
181.08893	1.5
182.09650	1.5
184.11192	3.9
186.09102	2.7
186.97070	0.9
187.09889	2.5
189.10223	6.0
190.08585	2.3
194.09639	2.3
195.09055	3.3
196.09909	11.6
197.10664	3.7
199.08633	2.4
200.05095	1.1
200.06963	1.9
201.10242	2.5
202.04951	3.9
202.08582	5.5
202.10835	2.7
202.12326	2.9
203.11713	3.3
204.10120	1.1
206.08380	20.7
206.61275	1.0
208.09601	1.9
209.06955	1.8
209.10696	2.8
210.11371	2.7
211.08557	2.3
211.12257	13.1
212.10652	3.4
214.08679	6.3
215.09364	3.4
218.11691	2.7
220.09866	3.8
220.13390	1.1
221.10724	9.8
221.12682	1.4
223.08636	7.9
224.09439	10.9
225.10255	2.0
226.10855	1.6
227.08072	5.6
229.13319	2.7
230.11655	3.9
232.09650	3.9
233.10307	1.4
235.14343	2.1
237.10176	4.1
238.11009	7.7
239.08022	2.3
239.11792	29.8
240.10106	2.2
241.09630	2.8
243.11250	1.4
244.09732	1.7
244.12006	8.4
252.08839	2.6
254.10423	2.1
255.11182	1.4
257.12802	11.0
258.11252	10.2
259.14252	1.3
260.13516	1.2
261.12259	1.3
262.13049	3.7
267.11270	62.6
268.11652	2.3
272.11487	4.1
275.13974	8.8
276.12286	11.1
277.16486	1.5
285.12317	100.0
286.12622	3.0
290.12466	3.4
293.14883	1.4
303.13367	88.8
304.11520	8.9
321.14404	50.2
321.17880	2.1
321.21872	5.6
322.14575	1.6
322.17850	1.2
322.21204	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	321.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54333	0.2
56.09058	0.3
56.96577	0.3
69.03415	0.4
70.06600	0.6
71.60656	0.5
76.12149	0.3
82.10555	0.3
84.08154	0.7
85.02926	0.6
93.73814	0.2
94.06590	0.2
95.06111	0.5
97.02926	0.3
98.97601	0.8
100.07630	0.5
101.00863	0.4
111.05575	1.4
119.01966	0.9
123.05566	1.0
131.01910	0.6
133.03484	1.2
141.06583	2.7
145.03482	0.4
147.05006	0.4
155.01956	0.4
157.03519	0.4
159.05081	0.7
159.06395	0.4
159.07634	2.4
159.11302	0.4
160.09715	0.5
161.02988	0.6
171.05045	0.4
173.03036	0.7
177.00691	0.3
177.06166	0.4
189.06104	0.4
195.07106	0.3
201.00800	0.3
203.04025	0.4
219.07191	1.2
221.05167	1.1
231.07185	0.9
245.05093	0.5
247.03082	0.5
251.69368	0.3
255.07146	0.3
256.22183	0.3
261.08304	0.7
279.09277	0.6
321.11594	100.0
322.11963	3.6
322.15387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
55.05511	0.5
56.05040	0.4
56.96563	1.8
57.03427	0.8
58.06606	0.2
58.99871	0.4
59.04992	0.1
60.04532	0.3
60.05631	0.2
60.95845	0.1
61.02927	0.9
67.05516	0.3
68.05025	0.2
69.03431	1.6
69.07064	0.3
70.06586	3.9
70.86399	0.2
70.86736	0.3
71.05005	0.4
71.95254	0.1
72.08150	3.0
73.02917	0.7
73.08479	0.2
74.06088	0.2
75.92139	0.1
77.00902	0.7
80.05042	0.2
81.03437	0.8
81.07056	0.3
82.06587	0.5
82.99869	0.3
83.04976	0.3
83.06149	0.2
84.04504	0.6
84.08138	6.2
84.96046	0.3
85.02898	2.2
85.06568	0.1
85.08469	0.3
86.06052	1.0
86.09687	1.1
87.04476	0.6
88.03989	0.2
89.10812	0.2
91.02483	0.3
91.05527	0.2
94.06574	0.6
94.99868	0.3
95.01368	0.2
95.01949	0.2
95.06080	0.2
96.04519	0.3
96.08132	0.5
97.02893	1.7
97.06525	0.1
97.07613	0.1
98.06048	0.7
98.09680	1.9
98.97573	2.0
98.98172	0.2
99.04472	0.4
99.10021	0.8
100.07625	0.4
101.00867	2.4
101.06025	0.1
102.05564	0.3
103.02428	1.2
103.03905	0.2
105.00357	0.3
105.07041	0.2
107.04984	0.2
107.07317	0.2
108.08133	0.5
108.24587	0.1
109.02882	0.4
110.02419	0.3
110.06058	0.2
110.07153	0.8
110.09693	0.2
110.97599	0.2
111.05582	0.3
112.07597	0.7
112.11318	0.2
112.99130	0.2
113.00828	0.8
114.05569	0.2
114.09177	0.3
114.10172	0.1
115.02431	2.6
115.03958	0.2
115.08707	0.2
116.07093	0.3
116.98595	1.4
117.04006	1.2
118.01138	0.1
119.01913	16.9
119.04983	0.4
120.01997	0.8
120.08156	0.2
121.03511	0.8
121.59479	0.1
122.03498	0.2
122.06013	0.2
122.09622	1.1
123.04488	0.2
123.05576	0.2
124.03925	0.2
124.07635	0.3
124.11279	0.4
125.07087	0.2
126.09126	0.7
127.02434	0.3
127.03960	0.6
127.04926	0.2
128.07089	0.5
128.10799	0.2
128.98573	0.7
129.03940	1.0
129.10260	0.4
130.05048	0.2
130.08684	0.4
131.00299	0.4
131.01900	7.6
131.12965	0.5
132.01985	0.3
133.01891	0.3
133.03456	10.7
134.03656	0.4
134.06032	0.3
134.09659	0.2
134.99667	0.5
135.03224	0.2
135.05026	2.0
136.05257	0.2
136.07629	0.3
136.11237	0.4
137.00989	0.2
137.02950	4.5
137.05898	0.2
138.01685	0.2
138.03098	0.2
138.05515	0.6
138.09116	0.3
139.02522	0.1
140.07100	0.3
140.10690	2.3
140.11652	0.1
141.03984	0.5
141.06543	0.2
142.03516	0.4
142.08684	0.4
143.01891	3.5
144.02017	0.2
144.10237	0.3
144.99834	0.5
145.03445	4.4
145.04968	0.2
146.03622	0.2
146.08177	0.3
146.99689	0.8
147.01410	0.6
147.04214	0.2
147.05199	2.2
148.07576	0.1
148.11243	0.3
149.01233	0.4
149.02946	1.7
150.05611	0.2
150.12889	0.2
151.02742	0.2
151.04527	2.6
151.06339	0.2
152.07092	0.6
153.03986	0.2
154.03496	0.3
154.08592	0.8
155.01889	5.6
155.05524	0.2
155.08943	0.2
156.02728	1.1
156.05104	0.3
156.10185	0.7
157.03467	2.0
157.04576	0.2
157.10893	0.2
158.08145	0.5
158.11813	0.6
158.99677	0.3
159.01485	0.2
159.05026	6.4
159.06134	0.3
159.11380	0.6
160.05145	0.2
160.09691	0.5
160.10886	0.3
161.01389	0.4
161.02945	7.7
161.06665	0.4
162.03145	0.4
162.07654	0.2
162.09155	0.2
162.12808	0.3
163.03018	0.3
163.04521	2.1
164.07071	0.2
165.00731	0.3
165.06134	0.5
168.05183	0.2
168.06572	0.3
168.99792	1.1
169.03404	0.3
170.99756	0.2
171.01442	0.4
171.05034	5.8
172.05156	0.3
172.09782	0.4
173.01382	0.3
173.02946	7.4
173.06628	1.3
174.03018	0.3
175.04524	2.7
176.04660	0.2
176.14375	0.3
177.00792	0.6
177.02568	0.4
177.04398	0.4
177.06067	3.7
178.04962	0.3
178.06305	0.2
179.02066	0.3
179.04103	0.5
181.03641	0.2
182.06750	0.1
183.05045	1.4
184.04652	0.3
185.02997	0.9
185.06584	1.0
187.00873	2.9
187.02663	0.3
187.04465	0.8
187.08270	0.2
188.01189	0.2
189.00841	0.3
189.02394	1.7
189.06073	4.6
190.06256	0.2
191.02354	0.3
191.04066	1.7
191.07611	0.6
192.13893	0.6
193.03793	0.3
193.05557	0.2
193.60846	0.2
194.15356	0.7
195.05286	0.5
195.07228	1.3
196.04610	0.3
196.99405	0.5
197.02957	0.9
197.06610	0.3
199.04587	0.5
201.00824	0.2
201.02550	0.5
201.04276	0.3
201.06046	2.4
202.12148	0.5
203.02203	0.3
203.03984	2.2
203.07735	0.5
205.02014	1.3
205.03720	0.3
205.05682	0.2
205.09811	0.3
211.04637	0.4
212.07674	0.2
213.06116	1.4
214.05679	0.2
215.00357	4.2
215.07748	0.3
217.01984	0.3
217.05679	0.2
217.09637	0.2
218.06563	0.1
218.11783	0.3
219.01784	0.6
219.03633	0.6
219.07118	5.0
220.07315	0.3
221.05052	10.7
222.05399	0.4
223.05168	0.3
225.06134	0.3
226.05833	0.2
226.11118	0.1
229.01930	1.3
229.11948	0.3
231.03616	0.4
231.07127	4.4
232.07291	0.3
232.09749	0.2
233.01576	0.3
233.05103	1.4
233.08656	0.9
234.05386	0.2
234.12532	0.3
235.06720	0.5
237.02739	1.1
238.02045	0.2
239.06158	0.4
239.59181	0.2
240.57375	0.2
243.07129	0.9
244.06734	0.3
245.05046	3.0
245.08908	0.2
247.02969	5.7
248.03235	0.4
249.04668	0.3
249.08305	0.2
251.04402	0.3
253.07741	0.4
255.07056	1.3
257.15125	0.2
259.06741	0.5
259.14459	0.2
259.21545	0.8
260.10355	0.2
261.05310	0.3
261.08188	8.2
262.08487	0.6
263.06192	0.4
265.04086	1.3
267.13397	0.4
270.04648	0.5
273.08154	1.2
277.22668	1.2
279.06241	0.4
279.09235	11.5
280.09454	0.7
289.04147	0.9
289.08344	0.2
291.09360	0.2
295.07208	0.2
302.10855	0.5
303.10031	0.2
303.15884	0.6
320.61349	0.3
320.67258	0.2
321.11478	100.0
321.18024	8.0
321.21869	4.8
321.59976	0.4
322.06384	0.3
322.11420	3.3
322.16034	1.5
339.10974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1119
Annotation	Crotafuran A
Peak:m/z	Relative Intensity
55.05489	2.5
55.89969	0.8
56.48985	0.9
56.96537	2.4
58.06579	1.9
59.05024	0.9
62.06084	1.6
67.05492	4.4
69.07053	1.8
70.20012	4.2
71.04975	1.0
71.08559	0.7
72.67693	0.8
73.02902	0.8
77.24981	0.8
79.05481	3.4
81.03398	1.2
81.07061	5.0
85.02882	1.3
85.31252	0.8
91.05489	5.5
93.07037	4.1
95.04939	1.9
95.08598	4.5
105.06999	2.9
107.04916	2.2
107.08566	3.2
109.06507	2.2
109.10133	2.9
117.06978	1.0
119.04953	0.9
119.08573	3.6
121.02795	1.0
121.06474	1.5
121.10097	1.1
123.04406	1.0
123.08026	1.6
133.10081	2.5
135.04396	1.6
135.08032	1.2
137.09534	0.9
144.53323	0.8
145.10123	1.1
147.11674	2.1
149.09633	0.9
151.07599	1.0
151.11176	1.6
159.11725	1.2
165.06911	0.7
173.13271	1.4
175.30206	0.9
179.14229	0.8
180.77161	0.9
181.06490	0.8
183.11638	0.9
183.85570	0.8
184.05251	1.6
203.03468	1.0
212.04660	1.7
223.07457	1.5
229.07430	2.8
229.09854	1.1
232.08772	2.6
247.08441	3.2
247.10867	1.0
250.09845	1.0
260.08096	1.1
261.08926	0.9
265.11850	0.8
269.10440	1.8
273.80078	0.8
277.08447	1.0
287.11688	1.7
289.08499	2.2
289.18170	1.0
289.21512	2.3
291.06424	2.2
293.11688	1.1
303.10104	14.8
304.10522	0.9
305.08069	5.3
306.08762	6.5
307.09146	1.1
313.61481	1.0
321.07700	6.3
321.11148	100.0
321.23999	13.8
322.11475	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	321.1119
Annotation	Betulinan A
Peak:m/z	Relative Intensity
55.01885	0.5
55.05507	1.0
56.96530	0.4
57.03428	0.4
57.07068	0.5
58.06590	0.9
65.81863	0.4
67.05495	2.0
69.03418	0.8
69.07069	1.0
69.86469	1.9
79.05490	1.1
81.03430	0.5
81.07052	3.1
83.04970	0.4
83.08595	0.8
84.56078	0.4
91.05480	2.2
93.07040	1.3
95.04970	1.4
95.08604	2.0
97.02898	0.7
97.06565	0.4
98.20807	0.4
105.07030	1.5
107.04937	0.7
107.08575	1.4
109.02865	0.8
109.10155	1.6
115.05445	0.8
117.07037	0.4
119.04951	0.7
119.08583	1.4
119.60892	0.4
121.06519	0.7
121.10143	0.7
123.04414	9.3
123.11731	0.7
125.06023	0.5
128.06209	4.0
129.07001	0.6
131.04929	0.7
131.08551	0.9
133.10112	0.6
134.03635	0.7
135.04381	0.3
135.11658	0.5
141.07027	0.6
143.08548	7.8
144.05704	0.7
145.06485	1.1
145.10121	0.4
147.04369	2.9
149.13287	0.5
151.11172	0.4
153.06905	0.5
157.06480	0.6
159.04424	0.8
159.08063	1.1
169.06465	0.7
171.04399	6.2
171.08041	6.4
172.05139	0.8
173.05959	1.1
175.07497	0.4
175.14856	0.4
177.05525	0.9
181.06374	0.5
183.08006	0.9
184.05214	3.6
187.07530	4.3
197.05951	1.8
199.07532	74.4
200.07845	3.9
201.16437	0.4
203.03329	0.9
211.07594	0.6
212.08287	1.5
218.67482	0.4
223.07443	0.6
236.08379	0.6
243.06573	0.4
250.09850	0.7
251.10609	1.7
252.11247	0.6
263.07104	0.7
263.10400	0.4
265.04974	0.7
278.09256	0.5
279.10172	1.1
287.06924	0.5
289.08496	2.1
293.08057	1.1
293.11542	0.8
303.23074	0.4
305.08011	0.8
306.08926	1.5
313.77136	0.4
321.07642	8.0
321.11154	100.0
322.07794	0.9
322.11493	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	321.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	6.0
57.03410	1.3
61.02901	1.2
69.03400	2.4
70.06569	3.9
71.62238	2.3
72.08142	5.2
81.03402	1.6
82.99847	1.4
84.08133	12.7
85.02894	3.5
94.46179	1.2
97.02866	2.4
98.09678	2.8
98.97567	6.0
101.00875	13.9
103.02441	1.7
105.00382	1.8
105.06990	2.1
113.00851	4.6
115.02426	10.1
116.98600	4.3
117.03990	6.3
119.01907	54.6
120.02074	1.9
122.09668	1.9
128.98592	1.5
129.03940	1.5
131.01895	32.4
133.03448	29.0
134.99568	1.5
135.05025	9.5
137.02943	14.2
138.01605	1.2
140.10669	3.4
141.03986	1.8
142.03471	1.4
143.01900	25.2
144.99760	1.7
145.03442	16.5
146.99693	2.6
147.01349	2.3
147.03290	1.7
147.04294	2.2
149.02940	6.7
151.04510	5.4
152.07100	1.3
154.08585	2.4
155.01880	27.4
156.02634	4.2
156.10229	1.6
157.03459	5.5
158.11758	1.9
159.05014	30.1
161.02950	39.8
163.04517	8.6
168.99789	2.3
171.01384	1.7
171.05016	31.7
173.02943	34.8
173.06583	9.9
175.04482	5.7
177.00760	2.3
177.02359	1.2
177.04424	2.4
177.06058	14.6
178.08502	1.3
183.04967	3.0
184.04501	1.2
185.02873	3.6
185.06560	4.8
187.00877	11.4
187.04451	2.1
189.02432	5.5
189.06067	26.6
191.03954	5.5
191.07631	3.9
192.13889	2.4
194.15431	6.6
195.05254	1.9
196.99362	1.9
197.02977	3.1
201.04468	1.7
201.06073	12.7
203.03975	11.5
203.07602	3.3
205.01939	3.4
213.06056	10.2
215.00383	10.0
216.00575	1.6
219.01691	2.4
219.07097	9.3
221.05054	62.7
222.05249	1.8
229.01921	4.0
231.07239	3.1
233.01529	1.7
233.05051	6.2
237.02795	4.6
239.06140	1.6
243.07152	5.3
244.06757	1.6
245.05003	5.9
247.03012	22.4
259.21518	2.0
261.08188	62.1
262.08450	2.0
263.06061	1.6
265.03955	3.7
277.22739	9.4
279.09241	96.9
280.09497	3.6
289.03998	3.6
302.10791	4.7
321.10291	100.0
321.17947	18.2
321.21674	21.9
322.05508	1.6
322.10571	4.2
339.09521	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	321.0966
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
53.03938	2.4
55.01857	2.9
55.05504	5.3
57.05510	1.0
59.05001	1.2
64.99216	0.9
65.03932	10.6
67.05506	12.2
69.03417	9.3
69.07064	8.4
70.17264	0.9
71.04987	3.1
72.08141	2.7
72.97768	1.1
79.05484	5.8
81.03413	9.3
81.07054	20.3
83.04974	6.0
83.08599	2.0
85.02918	1.7
85.06544	4.3
86.09697	2.5
89.03906	1.7
91.05475	10.5
93.03397	6.0
93.07037	11.9
94.04188	1.0
95.01337	4.8
95.04964	11.3
95.08607	14.6
97.02884	22.3
97.06535	3.0
97.10162	1.7
99.04478	1.4
99.08064	2.1
101.74377	1.1
103.05474	3.5
105.03384	1.4
105.07023	9.1
107.04942	1.6
107.08583	11.5
109.02854	7.5
109.06522	2.6
109.10143	9.2
110.00951	1.3
111.04449	4.0
111.08053	1.8
115.03905	1.4
115.05460	4.5
117.03377	4.4
117.07039	2.8
119.04918	2.5
119.08570	7.9
120.08104	3.3
121.02869	4.3
121.06523	2.4
121.10138	7.7
123.04404	6.7
123.08061	2.3
123.11710	6.0
125.02285	1.6
125.06022	1.7
125.09623	2.5
127.03918	4.3
128.06226	3.4
129.06981	7.2
131.04933	3.0
131.08546	9.2
133.06485	1.6
133.10112	6.0
135.08066	4.0
135.11697	6.2
137.05997	2.5
137.09615	2.6
139.03873	6.0
139.05449	1.1
139.11186	1.7
140.04672	7.7
141.06976	13.8
141.09062	1.0
143.08537	1.6
144.05698	14.6
145.02829	11.8
145.06497	4.2
145.10158	3.0
147.04433	4.3
147.11662	5.3
149.02359	4.2
149.05968	2.8
149.09613	2.6
149.13248	2.8
151.11211	2.4
152.06197	1.7
153.05481	2.8
153.06937	1.4
153.09149	1.3
153.12637	1.6
154.06244	12.1
155.04929	3.4
155.07077	3.4
156.05690	1.5
157.06490	6.4
157.10110	2.0
158.07303	2.9
159.08029	16.4
159.11693	3.7
161.05978	2.9
161.09572	3.4
161.13243	2.1
163.11298	1.5
165.08990	1.2
165.12762	2.1
165.20779	1.1
167.03409	12.6
167.07072	2.5
168.05708	4.0
169.06458	10.3
169.07646	1.8
171.04439	1.5
171.07967	1.8
171.11723	1.3
172.05202	2.7
173.06032	2.7
173.13332	2.2
175.03880	2.2
175.07484	1.7
175.14862	2.4
177.05461	29.1
177.12697	1.6
177.16353	1.1
181.04987	11.9
183.04407	2.0
184.05119	1.4
185.06018	2.8
186.06827	2.4
187.07544	27.0
187.14824	1.8
188.07977	1.3
189.05499	1.5
189.12787	1.4
191.07076	4.3
192.04187	1.3
196.05211	2.1
197.05949	8.3
199.03929	1.7
199.07591	2.3
199.14851	1.6
200.04715	1.9
201.05527	3.5
203.07010	2.7
204.04124	1.5
205.08537	1.6
207.06480	6.6
213.05481	1.2
214.06281	3.9
215.06982	16.6
217.05000	1.4
217.08656	2.6
218.09416	8.9
219.06555	22.2
219.10081	15.1
225.05519	1.8
229.05087	1.1
229.08601	18.0
231.06392	1.4
232.07309	3.2
233.07967	5.5
242.05740	2.0
243.06488	8.3
244.07191	1.8
245.08145	2.7
247.09636	17.1
257.08066	14.7
261.09259	1.2
271.06061	4.3
275.09122	100.0
275.23822	1.2
276.09506	3.4
285.22131	1.9
289.08493	1.6
303.08636	22.1
303.19772	2.4
303.23297	6.6
321.09787	49.6
321.16953	2.3
321.20377	3.2
321.24319	13.2
321.27719	1.9
322.09937	1.9
329.18909	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16505	0.8
69.03417	1.8
70.06593	1.6
72.08154	2.0
81.03391	1.0
84.08148	2.2
85.02898	1.6
93.93649	0.8
94.06593	1.0
95.06087	2.7
97.02879	1.2
98.97585	1.3
101.00864	0.9
110.07138	1.1
111.05556	3.6
112.07549	0.9
113.50592	0.8
114.10282	1.4
115.02464	0.9
116.07098	1.2
119.01948	3.8
121.17095	0.7
123.05542	3.6
127.03885	1.1
131.01888	1.6
133.03450	1.8
137.02892	1.1
141.06604	9.1
142.12257	1.1
143.01987	1.0
145.03485	1.7
155.01924	1.7
157.03493	0.9
159.05013	1.4
159.07631	6.5
161.02896	1.9
171.05020	1.4
172.09631	1.4
173.02971	1.9
177.06078	1.2
187.00928	1.1
189.06078	1.5
215.00388	1.0
221.05066	2.7
231.07133	1.7
233.05104	1.8
247.03000	2.6
253.28011	0.8
257.33725	0.7
261.08182	2.6
279.09293	3.5
285.12164	1.0
285.83551	0.9
321.11752	100.0
321.15231	5.2
321.17987	9.6
321.21854	1.9
322.12015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81647	12.6
69.75610	81.8
99.49273	14.2
111.05554	37.9
112.38824	11.7
123.05525	40.2
135.25711	12.4
141.06558	100.0
143.20749	12.6
159.07622	60.0
197.07498	12.8
321.05560	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0754
Annotation	Spiropreussione A
Peak:m/z	Relative Intensity
53.03928	0.2
55.05501	0.5
57.98870	0.2
59.18568	0.2
67.05489	1.0
68.99787	0.2
69.03426	0.3
69.07058	1.0
69.99749	0.8
71.04991	0.4
79.05476	0.9
81.03407	0.3
81.07041	2.2
82.75468	0.2
83.04965	0.2
83.08617	0.3
85.06540	0.4
90.01125	0.2
91.05481	1.9
93.06536	0.2
93.07010	1.0
95.04946	0.6
95.08607	1.7
97.02841	0.3
97.06567	0.2
98.20808	0.3
99.08142	0.2
103.05425	0.2
105.07008	0.9
107.04942	0.6
107.08558	0.9
109.02840	0.3
109.06501	0.5
109.10140	0.9
117.06952	0.2
119.04919	0.6
119.08551	0.6
121.02832	0.7
121.10130	0.7
123.04416	1.4
123.08044	0.3
123.11718	0.6
127.03850	0.2
129.09108	0.4
131.04918	0.3
131.08487	0.3
133.10110	0.2
135.04419	1.6
135.08006	0.2
135.11676	0.6
137.09618	0.3
137.13258	0.3
145.02754	0.2
145.06483	0.2
145.10101	0.3
147.04333	1.0
147.11685	0.4
149.05995	0.2
149.09651	0.2
157.10028	0.2
159.04411	2.4
159.08051	0.3
161.13268	0.2
171.04379	0.4
175.03935	0.8
177.05453	0.4
185.80061	0.2
187.07561	0.4
191.08537	0.2
195.08038	0.3
203.03371	9.9
204.03665	0.3
218.07286	0.2
218.82732	0.2
219.08180	0.4
221.04408	2.8
221.06340	0.3
222.06793	0.3
223.07556	0.4
235.07495	0.2
237.02921	0.2
237.09129	0.4
251.07259	0.3
264.07913	0.3
265.08566	0.8
275.07016	0.8
285.11240	0.2
289.17853	0.2
289.36804	0.2
292.07275	0.4
293.08060	1.4
303.06470	0.4
303.23111	0.2
321.07541	100.0
321.27747	0.8
322.07849	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	320.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01109	0.6
53.03942	0.9
54.21967	0.6
55.05503	3.8
57.07077	1.3
58.06593	2.5
60.04525	2.1
61.38736	0.6
62.06085	100.0
62.67218	0.7
63.06430	0.8
67.05497	10.5
69.07068	3.7
70.02956	1.1
70.06609	0.7
71.13680	1.7
79.05485	11.8
81.07047	11.4
83.08634	1.5
85.06596	0.6
88.07648	0.8
91.05473	10.6
93.07035	16.9
95.04973	1.2
95.08603	10.3
97.06565	1.1
105.07022	10.2
107.08589	11.0
109.10168	3.1
116.07027	0.6
117.07000	2.1
119.08568	12.0
121.10130	10.0
123.11727	0.7
128.07156	0.7
129.06992	1.1
130.08618	2.6
131.08554	4.0
133.10127	9.5
135.11682	8.9
143.08551	1.8
144.10213	2.1
145.10077	3.4
147.11674	8.5
149.13248	6.4
157.10170	2.6
158.11803	1.5
159.11697	4.3
161.13249	7.8
163.14737	3.8
171.11717	3.0
172.13350	1.4
173.13272	2.7
175.14836	9.5
177.12627	1.4
177.16446	0.9
185.13289	2.6
186.14944	2.0
189.12685	1.6
198.14861	1.0
199.14870	1.5
215.17975	1.4
217.19507	3.9
231.21098	2.0
238.18040	1.1
240.19606	1.6
241.19461	7.6
242.19740	0.7
255.10532	0.7
258.26950	1.3
259.20532	14.6
277.21875	1.2
302.24850	2.8
303.23184	1.9
320.25836	53.0
320.30511	5.2
321.04193	0.7
321.07773	1.7
321.14954	0.8
321.26321	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	320.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05499	0.6
56.96550	1.3
57.03421	1.8
58.06578	1.0
59.05941	0.5
60.04520	0.9
61.02911	1.2
67.05489	0.9
69.03407	2.4
69.07063	7.9
70.02981	0.7
70.06590	9.7
70.09267	0.9
70.09579	3.0
71.04967	0.7
72.08138	1.6
73.02917	0.6
75.24153	0.4
81.03408	2.6
82.06560	0.8
83.04946	0.7
84.04499	3.5
84.08121	1.8
84.96024	0.6
85.02898	6.3
86.09687	1.7
91.05465	0.7
94.06561	7.0
95.04969	1.0
95.07346	1.1
96.04480	5.0
96.08137	2.6
97.02871	3.8
98.06049	7.0
98.09641	0.7
98.97565	1.9
102.05518	1.9
103.03916	0.7
107.15542	0.5
108.08138	1.4
109.02852	1.6
110.05985	0.6
112.07597	6.9
113.06026	0.7
114.05518	16.0
114.09127	1.0
116.98609	1.8
120.08083	0.6
122.06001	2.2
123.04397	0.5
124.07586	0.8
124.11234	0.6
127.03893	1.6
128.10718	0.6
134.99619	0.9
138.05594	1.1
138.09131	7.0
140.07053	48.9
141.05464	0.6
142.08606	0.7
147.04387	0.7
158.08112	100.0
158.99655	0.6
159.08501	1.1
168.10182	0.9
173.12843	2.0
177.00803	0.7
182.08096	1.4
195.04855	0.9
200.09175	1.9
201.12312	0.5
237.02769	1.4
240.12335	2.5
258.13348	5.5
276.14453	1.9
277.15515	0.7
279.07602	1.3
302.12369	2.5
303.12946	0.5
320.13327	1.4
320.16412	1.9
320.19897	4.0
320.23126	0.6
321.08670	1.3
321.14575	0.7
321.18127	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	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01861	1.6
55.05505	1.2
56.96559	2.4
57.03426	2.6
57.07079	1.0
57.13069	0.7
60.04510	3.6
60.05632	1.0
61.02922	2.3
61.60950	0.7
62.94321	0.8
66.02930	0.7
67.05502	9.8
69.03423	7.9
69.07064	62.7
70.02946	3.3
70.06593	5.6
70.85926	1.8
70.86273	0.9
71.04971	1.2
72.08151	6.9
73.02907	1.3
74.06061	1.2
81.03420	4.1
83.04988	1.4
84.04506	2.2
84.08133	4.4
85.02900	27.7
85.06514	1.1
86.09711	4.2
94.06568	2.7
95.04967	10.7
97.02888	14.1
97.06532	1.8
98.06072	1.7
98.09718	1.1
98.20779	1.0
98.97584	0.9
99.04443	2.1
103.03942	2.4
107.04935	1.4
109.02877	5.6
111.04467	0.9
112.07599	37.0
113.06004	1.1
114.05515	1.1
116.07110	2.7
116.98637	1.0
119.04979	1.1
122.06027	1.0
124.07609	1.3
126.05526	1.8
127.03899	7.8
136.07591	1.5
138.05458	0.7
139.86409	0.8
140.07062	41.3
141.07388	0.8
145.04976	2.8
147.04402	3.5
154.08635	2.3
156.06548	0.9
158.08121	100.0
159.06534	2.4
173.12877	3.4
176.94995	0.9
182.08096	10.2
195.05057	1.0
200.09160	20.3
200.10951	1.0
201.12422	1.0
206.08119	1.8
208.09703	0.8
224.09077	3.8
226.49809	0.8
236.09378	1.0
255.01785	2.2
266.10303	3.6
302.12338	1.9
320.13278	2.4
320.20023	4.1
321.14526	1.7
321.17920	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2016
Annotation	Huperzine G
Peak:m/z	Relative Intensity
53.03940	0.4
55.05495	0.8
56.96560	1.0
57.03412	0.9
60.04503	0.6
62.43554	0.6
67.05502	0.7
69.03412	1.7
69.07048	1.4
70.06582	3.6
70.68521	0.5
71.04955	0.8
71.62771	0.8
72.08157	2.8
79.05471	0.6
80.04993	1.0
81.03394	1.1
81.07047	0.7
82.06574	0.9
83.04987	1.0
84.08131	2.0
85.02894	2.8
86.09694	1.0
91.05470	0.6
93.07043	0.7
94.06544	0.6
95.04967	1.1
95.08579	0.6
96.08080	0.6
97.02880	2.3
98.06041	1.6
98.09694	5.7
98.97600	0.9
105.07024	0.7
107.08605	0.7
109.02856	0.8
109.06472	0.8
110.09663	0.8
111.04473	0.7
112.07583	2.0
116.07098	2.4
116.98593	1.1
120.08080	0.7
121.10168	0.5
122.09677	0.9
123.04424	0.5
124.07568	1.0
124.11189	0.8
127.03913	1.4
131.08501	0.6
134.09627	3.1
134.99649	1.1
136.07552	0.8
136.11194	2.3
137.05959	1.1
138.05466	0.5
138.09114	1.7
139.03905	0.9
140.07042	1.8
147.04393	1.7
148.11214	1.7
148.21361	0.5
149.05907	0.5
150.09103	1.2
150.12773	1.8
151.03934	0.5
152.14323	0.5
153.05426	0.7
157.04910	0.8
158.08112	3.2
162.09119	0.5
165.05728	0.5
166.08627	20.3
167.08940	1.0
168.10141	2.3
177.00697	1.1
182.08234	0.5
188.07092	0.5
190.08636	0.7
208.09666	1.1
223.09167	0.5
232.09549	0.6
238.07933	0.5
257.20184	0.5
273.19409	2.4
275.21167	6.7
291.20621	0.8
301.19104	13.5
302.12277	0.6
302.19498	0.9
319.20148	100.0
320.16473	0.9
320.20404	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	319.1652
Annotation	CHEBI:68077
Peak:m/z	Relative Intensity
54.32592	0.5
55.05490	0.9
55.69616	0.4
56.05022	0.7
56.96554	2.2
60.61716	0.5
61.02920	1.5
67.05499	1.3
68.76593	0.4
69.03412	1.9
69.07045	0.9
70.06586	2.5
71.04978	0.5
71.24853	0.5
71.25191	0.9
72.08145	4.7
73.02887	0.6
73.08488	0.5
79.05499	1.1
80.05014	0.7
80.93897	0.4
81.03394	1.4
81.07061	1.0
82.06561	1.0
83.04977	1.8
84.04475	0.8
84.08135	1.3
85.02906	2.6
85.06539	0.6
86.06075	0.5
86.09676	1.3
89.10794	0.4
91.05466	2.3
93.05773	0.7
93.07037	3.1
94.06561	11.1
95.04955	1.7
96.04474	1.2
97.02868	1.7
98.06087	0.5
98.97565	1.3
99.04424	0.6
105.06956	0.6
106.06527	3.1
107.04938	0.7
107.07335	0.6
107.08552	0.5
108.04456	0.6
108.08108	2.3
109.02837	0.8
109.05244	3.3
109.06486	0.5
110.06033	5.0
110.07151	0.6
111.04448	1.0
114.05500	0.6
116.98581	1.1
117.05749	1.0
118.06522	3.0
119.04961	1.1
120.08104	2.3
122.06036	4.4
124.07578	1.0
126.05499	1.5
127.03900	1.8
130.06523	1.9
132.04526	1.0
132.08078	4.5
133.05209	1.7
133.06335	0.4
134.06003	4.2
134.09651	1.8
136.07579	1.6
137.05896	0.6
138.09184	0.5
139.03850	1.0
140.07036	0.8
143.08415	0.5
144.08109	0.7
145.05115	1.5
145.06503	0.4
146.05997	9.0
146.07072	0.9
146.09676	1.2
147.04413	6.2
147.05539	0.8
147.06808	2.2
148.07550	10.4
149.05928	0.7
149.07251	0.5
149.08324	2.7
150.09163	1.7
150.99176	0.5
151.03879	1.0
152.07056	2.4
152.10422	0.5
153.01828	0.9
153.05428	0.6
154.08618	1.6
155.08458	0.6
156.10190	2.1
157.05026	0.8
157.08806	0.6
157.10504	2.3
158.06015	2.6
159.06783	3.3
160.06288	0.8
160.07561	16.0
162.09126	5.6
167.07182	0.6
170.08159	1.1
170.09598	0.5
172.07545	1.8
173.08363	6.9
174.09145	1.8
177.02200	1.0
184.07591	1.3
185.07077	0.8
186.09100	3.1
188.07047	1.2
189.06647	0.6
195.03207	1.8
198.09082	1.2
199.08649	1.0
200.10725	8.0
201.11470	6.2
202.12227	4.1
202.96713	0.4
203.08151	0.8
206.08136	0.7
211.08617	0.6
218.11702	1.2
224.10770	0.7
227.11702	1.2
232.09653	0.5
237.02875	0.6
239.11615	0.9
241.13333	5.1
242.14122	3.7
243.14966	1.4
245.09428	0.7
255.15004	2.8
259.14401	33.0
260.14633	0.8
265.13266	0.9
266.14038	0.5
271.14441	3.4
273.03912	1.3
273.12204	0.5
274.11575	0.5
277.12924	1.8
283.14395	3.1
297.02869	0.8
301.06979	0.7
301.11862	2.0
301.15390	16.0
302.12247	1.4
319.16504	100.0
320.16815	3.7
332.16159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.081
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	0.8
55.05499	0.6
58.06595	0.9
65.03942	0.6
67.01851	0.7
67.05497	2.3
68.99783	3.4
69.03400	1.3
69.07057	1.0
71.04980	0.5
79.05476	2.7
81.03413	7.2
81.07052	3.0
81.45952	0.5
83.04961	3.2
89.03934	0.7
91.05461	1.2
93.07027	1.4
95.04955	5.3
95.08625	2.4
97.02875	0.7
97.06531	0.5
105.03361	1.6
105.07018	1.4
107.04954	2.3
107.08578	1.7
109.02860	5.4
109.06498	1.0
109.10136	1.5
110.03653	0.8
111.00768	1.2
111.04424	1.5
117.03403	0.6
119.04877	0.7
119.08582	1.0
121.02764	0.6
121.06464	1.2
121.10143	1.2
123.04414	44.8
124.04754	1.0
125.02259	0.9
125.05971	1.1
126.03116	1.9
127.03906	20.0
129.06932	0.5
131.04958	0.5
131.08557	0.9
133.02837	13.0
133.10075	0.6
135.04399	0.8
135.11670	1.0
137.05954	0.9
138.03104	12.4
139.03831	1.0
139.07523	1.5
141.05403	2.5
143.08414	0.5
145.06454	0.7
145.10085	0.7
147.04373	1.9
149.02319	2.5
149.05997	0.8
149.13168	0.4
150.03154	3.0
151.03885	100.0
152.04231	2.3
153.01820	22.6
153.05447	52.3
154.02574	2.1
154.05724	1.0
155.03366	1.5
157.06412	0.6
157.10071	0.5
159.11687	0.5
161.02312	0.7
161.05980	1.0
163.03920	0.8
165.04140	0.7
165.05457	6.1
166.06186	1.0
167.03339	1.4
167.07045	2.1
169.04948	8.9
171.02904	1.1
171.04359	1.0
172.83252	0.6
175.03865	2.1
177.12773	0.5
178.02625	1.3
179.03372	37.6
180.04082	0.6
185.05937	1.5
189.05444	0.8
193.04906	4.8
199.02361	4.1
199.03880	0.7
200.04523	0.5
201.05440	0.6
202.06226	0.6
203.07007	1.1
205.08351	0.4
207.06461	1.1
213.05464	3.7
216.04198	0.8
217.04852	1.6
229.04904	1.1
229.66759	0.7
231.06479	1.7
241.04929	4.7
245.08058	1.9
249.07570	0.8
258.05234	1.0
259.05978	1.6
269.04413	4.3
269.07706	1.0
270.05179	0.9
273.07544	3.3
285.03909	15.7
286.04681	16.9
287.05252	0.9
291.08575	10.4
301.07037	23.0
302.07217	1.1
319.08081	91.2
319.22690	1.1
319.26205	0.9
320.08435	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	319.081
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
51.02365	0.7
55.01897	0.7
55.05501	1.0
58.25808	0.7
67.05491	2.0
68.99787	3.1
69.03417	1.4
69.07055	1.5
70.95521	1.6
70.95892	0.7
76.91709	0.6
77.03928	0.6
79.05496	1.1
81.03414	3.4
81.07026	2.1
83.04977	2.3
85.02895	1.5
91.05453	0.8
91.79048	0.6
93.07014	1.4
95.04966	3.2
95.08591	1.7
97.02875	1.0
97.06516	1.8
98.66087	0.7
105.03378	1.5
105.07008	1.1
106.64827	0.7
107.04928	1.7
107.08555	1.2
109.02860	4.3
109.06477	0.9
109.10120	0.7
111.00791	0.7
111.04409	2.6
119.08574	0.8
121.02895	1.3
121.10150	0.8
122.03611	0.9
123.04424	27.8
125.02340	6.9
125.05985	3.4
127.03904	31.7
128.04266	0.8
129.06964	0.7
133.02844	44.9
133.10109	0.9
134.03226	1.0
135.04391	1.0
137.02319	1.2
137.05954	8.2
138.03105	1.8
139.03908	3.3
140.04686	5.9
141.05418	2.0
146.49557	0.6
147.04414	1.4
149.02322	10.0
149.05966	1.7
150.03079	1.0
151.03893	67.6
152.04227	2.6
153.00572	0.6
153.01825	17.3
153.05450	45.1
154.02127	1.0
154.05812	0.7
155.03372	2.8
157.10060	0.8
160.05154	0.9
161.05919	0.8
163.03909	3.4
163.54605	0.7
165.05466	23.7
166.06190	2.6
167.03419	1.1
167.06552	0.8
169.05000	3.6
175.14780	0.6
177.01677	0.7
177.05525	0.6
179.03383	38.9
180.03995	1.3
184.05161	1.1
185.05965	1.8
187.03914	0.8
188.04677	3.5
189.05469	2.8
193.04890	6.0
196.46155	0.7
198.70021	0.7
199.02261	1.1
199.03889	1.5
201.05444	2.0
202.02660	0.8
202.06331	1.6
212.04617	1.2
213.05455	5.6
216.04147	2.5
217.04941	8.2
229.04988	2.6
230.05682	2.1
231.06505	2.8
240.04111	1.1
241.04951	7.1
242.05573	0.9
245.08092	9.3
246.08511	1.1
257.04337	0.8
258.05298	4.3
259.06018	3.1
269.04410	9.6
270.05399	0.9
273.07529	8.6
285.03934	6.1
286.04706	21.6
287.05347	1.5
291.08551	7.4
301.07043	76.0
302.07358	3.2
304.05521	0.8
319.08087	100.0
320.08435	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	319.0807
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
53.03937	0.8
55.01859	1.1
55.05491	1.1
56.84116	0.8
57.07059	0.8
58.06590	0.8
66.60608	0.8
67.05474	2.6
68.99776	2.8
69.03395	1.2
69.07058	1.1
69.84914	1.1
69.85320	4.5
70.06560	1.1
79.05466	2.2
80.43106	0.8
81.03419	4.5
81.07047	2.1
83.04970	2.0
85.02889	1.9
91.05477	2.0
93.07028	2.4
95.01356	0.8
95.04963	4.1
95.08594	1.9
97.02874	0.8
97.06492	1.3
98.20763	1.1
105.03358	1.4
105.07013	1.2
107.04935	1.7
107.08588	1.6
109.02891	4.9
109.10146	1.0
111.00808	1.3
111.04433	2.9
112.67760	0.8
117.03374	0.9
119.04912	1.0
119.08543	0.9
121.02855	1.1
121.10106	1.2
123.03549	1.4
123.04421	25.4
125.02353	5.2
125.05956	3.5
126.64420	0.7
127.03909	28.9
131.04999	0.9
131.08601	1.0
133.02847	39.9
133.10059	0.9
135.04407	1.9
137.02284	1.0
137.05949	9.5
138.03111	3.4
139.03876	4.0
140.04691	7.3
141.05420	1.7
145.10016	1.9
147.04395	2.2
149.02344	9.9
149.05910	1.4
149.13301	0.9
150.03131	1.7
151.03894	70.0
152.04189	1.5
153.01820	40.2
153.05447	39.0
153.06715	1.3
154.02167	0.9
155.03383	1.6
159.11601	0.9
161.02338	1.2
161.05937	1.2
163.03891	3.8
165.05472	20.8
166.06235	1.4
167.06960	1.1
169.05000	4.8
171.02866	1.5
171.04434	0.8
175.03920	1.0
178.02512	2.9
179.03389	41.7
185.05978	1.4
188.04715	2.4
189.05461	2.0
193.04935	12.7
199.03870	2.2
199.07535	1.0
201.05554	1.9
202.02539	0.9
202.06262	1.6
203.03354	1.1
212.04683	0.9
213.05440	4.7
216.04192	2.4
217.04936	6.4
227.07059	1.0
229.04953	3.4
230.05771	1.7
231.06474	3.0
241.04976	6.9
245.08064	8.5
258.05173	2.6
259.06021	2.2
267.68619	0.9
268.03723	1.5
269.04428	6.7
273.07584	9.4
285.03906	5.8
286.04718	23.6
287.05399	1.4
291.08609	8.0
301.07043	66.7
301.21793	0.9
302.07324	2.2
319.08099	100.0
320.08496	3.6
334.36505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0811
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
51.02368	0.6
53.03930	0.9
55.01862	1.0
55.05501	0.8
57.03426	0.6
65.03943	1.0
67.05497	1.9
67.12097	0.5
68.99763	3.1
69.03416	1.2
69.07054	1.0
70.06582	1.1
70.34752	2.1
71.04974	0.7
72.79353	0.5
77.03934	0.6
77.29668	0.5
79.05488	1.6
81.03419	4.9
81.07037	1.4
83.04961	2.1
85.02897	1.6
85.35357	0.5
91.05471	2.0
91.56489	0.6
93.07066	0.6
95.04978	3.7
95.08588	1.3
97.02898	1.4
97.06519	1.2
98.09662	0.6
99.04382	0.6
105.03385	1.1
105.07040	1.3
107.04963	2.2
107.08590	1.0
109.02872	4.4
109.06510	0.6
111.00816	0.7
111.04472	2.8
112.07607	1.1
119.04923	0.6
119.08537	0.8
121.02865	1.3
121.06433	1.0
122.03617	1.2
123.00773	0.6
123.04421	25.7
124.04800	0.7
125.02333	5.2
125.05958	3.5
126.03122	1.0
126.09141	1.0
127.03915	28.2
133.02844	38.8
134.03555	1.0
135.04390	1.6
137.02313	1.2
137.05956	9.8
138.03137	4.0
139.03864	3.0
140.04678	5.3
141.05435	2.1
142.07518	0.6
145.10085	0.8
147.04388	2.3
149.02332	8.8
149.05963	1.7
149.09639	0.7
150.03108	1.1
151.03897	68.5
152.04271	1.3
153.01834	23.2
153.05457	50.8
154.05779	1.4
155.03386	2.9
163.03886	3.7
165.05466	23.5
165.06857	1.3
166.04996	1.5
166.06221	1.3
167.03412	0.8
167.07011	0.6
169.04950	4.9
171.04422	0.5
174.03073	1.0
177.05486	0.9
178.02571	1.1
179.03391	36.4
180.03842	1.2
184.05258	0.8
185.05923	1.7
187.03912	0.6
188.04686	2.0
189.05455	2.7
193.05002	7.7
194.04730	0.5
197.51561	0.6
199.03807	1.4
201.05481	1.7
202.06279	0.8
203.07048	0.9
212.04700	1.0
213.05478	5.1
216.04204	1.9
217.04912	6.8
227.06970	0.7
229.04974	2.5
230.05743	1.6
231.06561	3.6
240.04153	0.6
241.04927	5.9
242.05704	0.9
245.08119	7.6
253.09654	0.9
257.04434	1.2
258.05206	4.1
259.05981	2.3
261.12338	0.7
268.03647	1.7
269.04428	6.1
271.10757	2.3
273.07513	7.7
283.10065	0.7
285.03964	6.7
286.04703	19.7
287.05304	1.6
289.11847	0.8
291.08658	8.7
301.07053	68.4
302.07458	3.0
319.08115	100.0
319.12460	4.0
320.08450	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	319.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.2
55.01853	7.3
55.05472	5.4
56.96293	4.2
56.96558	62.7
57.03425	26.2
61.02645	3.7
61.02924	60.6
63.90364	3.6
66.61593	3.7
69.03418	32.5
70.06573	9.9
70.20090	3.6
71.04967	12.8
71.07233	11.5
72.08147	23.1
73.02910	30.2
74.97614	4.2
78.92369	4.1
81.03416	30.7
82.03764	3.8
84.08131	15.6
84.96008	11.8
85.02892	57.3
86.09679	8.3
87.04456	5.9
90.08604	3.5
92.01277	4.8
97.02887	25.4
98.06023	7.1
98.97581	62.5
99.02042	3.9
99.04423	8.5
100.33001	3.5
100.99156	6.0
101.00835	4.2
101.02363	3.6
101.86650	4.1
104.01282	5.7
107.04929	14.8
109.02885	38.9
110.01283	14.9
110.03138	4.3
110.07146	14.7
110.97575	14.5
111.02065	4.4
112.08683	3.7
112.99121	4.2
113.02338	5.3
116.01305	4.3
116.98612	44.2
118.01048	4.0
119.01833	44.8
119.04895	5.0
120.02018	11.1
124.95477	3.8
125.01721	4.6
125.07098	4.0
126.02533	4.8
127.01537	4.8
127.03902	28.3
128.02304	51.8
128.98581	27.0
129.10243	5.7
131.00121	10.2
131.01814	7.0
131.96089	4.9
133.03442	8.9
134.99657	18.6
135.03098	10.5
135.07919	4.6
137.02820	34.1
138.03050	6.5
139.53116	7.2
143.00089	12.7
145.03433	5.8
145.04912	4.7
146.02280	6.5
146.99632	35.2
147.01295	4.6
147.03117	7.7
147.04379	9.6
149.01198	12.1
149.02852	3.8
150.01787	6.3
152.02304	8.1
153.02989	4.3
155.02792	8.0
156.53766	7.0
157.03479	10.2
158.03528	6.6
158.99622	14.8
159.03064	4.6
161.01154	11.9
161.02869	18.5
162.01749	10.2
162.03114	10.1
162.99107	7.6
163.02750	6.6
165.00728	16.8
167.02226	5.1
168.01826	8.0
169.02602	4.7
170.03387	5.1
170.99724	9.7
171.02312	9.0
173.01187	10.7
173.02911	6.5
174.01801	5.0
174.99162	5.9
175.02811	6.3
175.04396	7.0
176.04591	9.6
177.00668	21.9
177.02199	8.3
178.03128	5.7
183.02278	17.3
186.02975	6.8
187.02681	4.5
188.97028	8.4
189.00757	24.0
189.02260	7.0
190.03110	6.9
190.98607	11.4
191.02214	7.4
191.03748	9.9
192.02858	16.4
192.53072	5.9
193.00203	14.3
193.01733	4.6
195.02052	4.0
201.00670	10.2
202.98689	6.5
204.02875	15.0
205.00294	4.7
207.01880	8.8
207.05212	8.6
208.99617	16.5
211.02739	5.2
213.03372	100.0
213.05194	10.5
213.53488	10.6
216.05670	6.5
217.00040	7.6
217.03752	8.6
219.01746	17.7
220.04233	5.8
222.03844	60.0
222.05811	41.6
222.53920	4.7
223.01152	4.9
227.00745	5.6
228.55920	5.0
229.04588	15.2
230.98158	8.1
231.04289	7.5
231.06299	28.2
231.56461	5.9
233.54588	6.1
235.00922	7.0
237.02805	12.5
237.56282	7.9
238.04202	14.1
242.57281	9.2
251.04402	9.3
255.03941	7.6
263.00800	5.5
269.05426	21.3
278.07898	25.6
279.03891	5.3
295.08670	11.3
296.08875	61.6
297.08426	7.8
311.06439	7.4
319.09979	20.0
319.16321	22.5
319.20093	35.5
337.04190	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	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01863	0.9
55.05507	1.5
57.03426	1.5
60.04509	0.6
61.02931	1.3
67.05491	0.6
68.05011	0.3
69.03424	4.3
69.07054	1.2
70.06590	2.0
71.04976	0.8
71.37315	0.6
72.08152	5.9
73.02904	1.0
73.08471	0.5
79.05489	0.5
81.03407	1.6
81.07060	0.6
82.06574	0.9
83.04951	0.4
83.08590	0.3
84.04485	0.5
84.08134	0.8
85.02901	7.2
86.06072	0.2
86.09697	2.2
87.04438	0.4
89.10786	0.3
91.03911	0.4
91.05470	1.2
93.07024	1.2
94.06583	0.4
95.08607	1.7
96.04494	2.6
96.08134	1.7
97.02884	3.6
97.05280	1.9
97.06528	1.3
98.06048	0.7
99.04430	0.4
100.07597	0.8
105.07059	0.4
107.04933	0.6
109.02882	1.6
109.06522	0.8
110.02388	0.9
110.06041	5.2
110.09669	3.4
111.08076	0.8
119.04918	1.2
120.05267	0.4
120.08093	0.8
121.04619	0.3
121.06511	0.9
125.08358	0.6
126.09149	7.1
127.03908	2.4
127.09489	0.3
130.06467	0.3
138.09132	19.0
139.07513	1.2
145.04968	1.3
146.06042	0.4
147.04404	5.4
148.04747	1.0
152.07037	0.7
152.10715	0.6
153.07387	0.3
156.10190	100.0
157.10587	2.0
159.11292	0.4
161.05968	0.5
167.07063	0.3
167.08430	0.3
168.10187	1.2
173.12869	1.0
178.04999	0.3
180.10225	0.9
198.11255	1.0
200.28233	0.3
201.00714	0.4
201.12354	0.5
202.58635	0.3
206.04480	0.8
218.11732	1.1
219.01794	0.4
219.08003	0.7
219.12094	0.5
222.11194	0.3
222.56389	0.3
235.14323	0.7
237.09152	0.7
255.10966	0.3
261.69791	0.3
273.03952	0.7
300.13489	0.8
301.11761	0.8
309.15549	0.5
318.11768	0.6
318.15427	4.4
318.18579	0.4
318.29037	0.7
319.12820	0.5
319.16205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
53.29136	0.5
55.01850	0.5
55.05489	0.8
55.50852	0.5
56.59813	0.6
58.06598	0.7
59.56346	0.6
62.06089	2.1
63.55764	0.6
65.03917	1.3
67.05495	1.3
67.20840	0.5
69.03403	0.7
69.07043	1.0
69.52982	3.7
69.53400	1.4
70.06595	1.5
71.04962	0.6
72.08157	0.8
73.45652	0.7
79.05482	2.3
80.05009	30.6
81.05362	0.6
81.07047	3.6
84.08171	0.8
85.01088	0.8
85.02872	1.3
86.09678	0.7
87.02667	0.6
91.05482	4.2
93.03397	1.2
93.07036	2.3
95.04955	1.3
95.08585	1.5
97.02919	0.9
97.06503	1.0
98.09690	1.7
102.44508	0.6
103.05446	2.2
105.07015	2.5
106.04161	2.0
106.06557	8.4
106.07259	1.1
107.04949	2.6
107.08605	1.1
107.97381	0.5
108.04471	100.0
108.43168	0.6
109.02862	1.2
109.04790	1.9
109.06501	1.7
111.04437	1.0
117.07035	0.7
117.85831	0.6
119.04959	1.0
119.08547	0.8
120.04456	13.4
121.04797	0.7
121.06505	3.0
121.10130	0.9
122.06007	0.6
123.04412	4.5
123.08100	0.8
124.04728	1.0
125.06015	1.3
127.03922	1.6
131.04935	4.8
131.08585	0.9
132.01154	1.9
132.04434	1.9
132.05737	4.0
133.02824	5.2
134.06001	32.2
135.04410	0.7
135.06403	1.0
135.56010	0.6
137.05969	3.0
138.03149	0.7
139.03917	0.8
145.10143	0.9
146.05997	6.5
147.04375	1.6
147.11719	0.8
148.05241	0.7
149.02328	0.9
149.05984	6.7
150.05457	0.9
151.03940	2.9
151.07536	0.7
153.05450	14.1
153.09079	1.5
154.06181	1.3
159.04691	1.1
159.11671	0.7
160.05197	2.3
161.05983	2.7
163.03889	1.1
163.07532	1.0
164.04683	2.0
164.07030	9.2
165.05484	3.7
166.06226	2.5
167.07030	10.9
169.08569	1.0
175.07661	0.8
177.05476	6.9
177.09209	0.8
178.09496	0.6
179.07039	1.2
180.07909	1.4
181.08540	3.2
182.09361	0.8
186.13582	0.7
191.07022	12.6
192.07793	13.8
193.08475	1.4
202.08902	4.2
209.08069	19.7
210.08710	2.3
213.05391	0.7
241.04944	0.7
252.06766	0.7
253.07407	0.7
259.06027	1.8
263.14084	0.7
264.95596	0.7
268.09668	5.3
269.04477	0.8
287.05447	3.5
288.12292	5.3
300.09412	1.1
300.12482	5.2
300.16022	1.0
301.07211	1.6
318.06766	1.2
318.10760	3.9
318.13531	2.3
318.24539	2.7
318.29080	8.6
319.08243	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	318.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30875	1.1
50.92158	1.2
51.62270	0.9
53.03949	1.7
55.01856	3.6
55.05505	1.6
56.05029	1.8
56.96560	16.7
57.03438	7.0
61.02925	19.9
68.95159	1.2
69.03423	15.9
70.03750	1.5
70.06577	5.2
71.04982	5.1
71.61794	1.6
72.08154	18.2
72.58663	1.3
73.02926	8.5
74.40866	1.0
75.04508	1.2
80.56483	1.1
81.03412	19.6
82.06580	2.6
83.23211	1.1
83.99783	1.1
84.01599	1.5
84.04497	2.1
84.08136	4.7
84.96030	2.4
85.02413	2.4
85.02902	30.7
86.09689	11.6
86.35006	1.0
87.04462	1.6
88.03978	1.7
91.03952	2.5
93.02110	1.8
97.02888	12.5
98.97583	12.1
99.04456	6.2
100.07622	2.8
100.99106	1.3
101.00883	4.9
107.01827	1.3
107.04965	3.3
109.02880	22.3
110.01278	4.3
110.03213	2.2
110.06029	1.1
110.07178	3.7
110.97602	1.7
111.04478	1.1
115.02437	2.4
115.03957	1.6
116.07115	2.2
116.98631	8.3
117.02049	2.0
118.01053	1.4
119.01906	34.1
119.04956	2.1
120.01993	1.6
121.01598	1.2
123.08070	1.2
127.03233	1.4
127.03934	15.7
128.02316	5.7
128.04199	1.5
128.98625	4.1
129.10248	1.6
131.00163	4.5
131.01903	2.3
132.10210	1.5
133.03445	6.0
134.99635	4.4
135.03067	2.4
137.02917	11.7
137.06007	1.5
138.05458	8.2
139.02354	2.1
141.05420	1.2
143.00174	3.1
143.01894	4.2
143.11850	1.2
145.03496	6.4
145.04956	4.4
146.02229	1.4
146.52414	1.1
146.99680	5.6
147.01387	2.3
147.03107	4.9
147.04385	6.6
148.04764	2.3
149.01236	9.0
149.02899	2.6
151.04466	1.8
152.03349	1.3
156.02502	2.0
156.03630	22.7
156.06557	14.5
156.07690	2.0
156.10133	1.6
156.53719	2.1
157.03494	16.5
157.13382	2.0
158.99655	2.7
159.01379	2.6
159.05048	2.3
160.02242	1.9
161.01215	3.1
161.02933	23.1
162.03326	1.2
162.99153	2.1
163.04413	1.7
165.00694	1.9
165.04218	1.9
167.02257	5.5
167.03673	1.5
167.54460	1.7
170.03500	1.6
171.05000	1.8
173.01270	1.3
173.02994	3.4
175.02908	1.7
175.04521	15.3
177.00693	5.3
177.02264	2.0
177.04153	1.5
178.04889	1.4
179.03973	1.8
183.02234	1.9
183.05089	1.7
185.02936	10.3
186.02951	1.3
187.04512	3.7
189.00706	3.9
189.06024	2.6
189.12299	1.5
191.02251	2.9
191.03789	1.8
192.02835	3.3
193.00203	2.0
193.05473	1.5
199.04480	2.7
201.00784	1.8
201.06033	6.1
201.12326	2.1
202.03786	1.5
203.03931	10.6
206.02655	1.5
206.04417	4.5
207.01755	1.9
207.05177	1.8
208.99689	2.5
212.05264	5.3
213.03380	15.8
213.05219	1.4
215.04968	2.2
217.05592	4.3
218.11998	1.5
219.01726	7.0
220.04843	5.2
221.03232	1.4
221.05394	5.9
222.03883	6.1
222.05844	5.0
227.03912	1.5
228.05649	16.8
229.04556	1.5
231.06290	3.5
232.07137	2.3
233.54773	2.5
235.03001	1.5
235.06662	3.3
237.02882	3.0
237.06276	18.3
237.08148	2.7
238.06082	1.7
245.05045	2.7
251.04225	1.6
253.07721	4.3
259.06799	2.8
269.05429	4.2
277.07687	36.9
278.07895	2.1
279.08392	1.9
293.05426	3.6
295.08755	100.0
296.08997	3.9
300.03973	1.8
309.09384	1.4
311.06461	3.3
318.05359	2.9
318.11484	22.7
318.19073	5.2
318.60666	1.4
319.10172	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	317.2108
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03928	1.9
55.01852	3.6
55.05507	12.5
55.37850	1.4
57.07056	6.1
58.06595	2.4
59.04985	3.9
67.05499	44.6
69.03433	6.5
69.07053	5.2
69.88792	6.5
70.06575	2.1
71.04987	1.4
72.52399	1.2
79.05492	7.4
81.03449	1.5
81.07047	24.2
83.04959	5.0
83.08609	7.1
85.06523	1.9
87.04456	4.3
88.07637	2.0
91.05493	15.1
93.07052	20.4
95.04357	1.5
95.04964	23.4
95.08599	15.8
95.11354	1.2
97.06518	8.8
98.21387	2.2
100.76974	1.2
102.09183	2.1
103.05486	1.8
105.07011	15.3
105.29575	1.1
107.05029	1.9
107.07877	1.7
107.08588	35.4
109.06500	18.6
109.10148	74.8
110.10484	2.3
111.08043	1.9
117.06994	4.0
119.08572	48.2
120.08913	1.2
121.06491	4.9
121.10160	8.1
123.04411	1.7
123.08058	22.4
125.06030	2.1
125.09589	3.1
129.06985	2.6
131.08549	6.9
133.06554	2.7
133.10135	10.6
135.04503	1.3
135.08037	10.8
135.11679	4.1
137.05965	2.4
137.09607	63.9
138.09970	1.9
139.07568	1.8
143.08559	5.2
145.10078	11.9
145.10905	1.1
147.08040	4.1
147.11681	5.5
149.09644	6.7
151.07530	56.1
152.07870	1.9
153.05428	6.1
155.08577	1.8
156.09323	1.9
157.10123	3.9
159.08063	4.1
159.11690	7.0
161.09641	9.3
161.13216	2.6
163.07501	2.2
163.11180	4.9
165.09094	4.3
167.07050	1.9
169.10075	2.1
171.11697	5.0
172.12334	1.5
173.09650	3.6
173.13219	6.1
174.10318	1.4
175.09633	1.3
175.11174	4.5
175.14822	1.6
177.09093	3.3
177.12622	1.4
179.10594	1.5
181.08574	4.7
181.12233	2.5
182.10928	1.7
183.11687	2.9
185.13257	3.2
187.11212	1.8
189.09087	1.4
189.12723	26.9
191.10683	2.0
191.14291	2.7
195.11699	1.6
197.11655	1.3
197.13220	3.3
199.11145	3.0
201.12738	1.8
203.14351	1.7
207.13799	20.7
215.14314	4.2
217.15936	1.8
221.15407	4.7
223.14801	2.1
225.12747	1.7
233.15308	3.4
237.14757	5.9
241.15810	1.5
243.13741	6.0
243.47920	1.3
256.26337	6.3
257.26831	1.9
261.14911	4.7
281.18799	2.8
299.20029	12.4
317.07986	1.8
317.21094	100.0
317.28693	7.2
318.21393	9.0
318.29980	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	317.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
57.03429	1.3
58.06577	4.1
61.02914	1.6
69.03414	3.8
70.01865	4.4
70.06580	4.0
71.04974	3.3
72.08147	13.4
73.02918	1.1
79.05473	1.2
79.12205	1.0
81.03407	1.8
82.06586	0.9
84.04502	1.1
84.08141	8.3
85.02897	4.8
85.98363	0.9
86.06051	2.6
86.09722	0.9
87.04472	1.4
91.05457	0.9
93.07024	0.9
93.82007	0.9
94.93806	0.8
96.08121	1.2
97.02895	3.1
97.06520	5.5
98.09682	4.2
98.97598	1.5
100.07610	1.4
102.13831	1.0
103.08364	0.9
107.04963	1.2
108.08098	1.6
109.02827	1.0
109.06504	0.9
110.09682	1.7
112.99065	0.9
114.09151	10.8
116.07086	1.1
116.10706	1.7
116.98608	1.0
124.07581	1.2
124.11251	1.6
125.06004	4.2
126.09123	1.1
127.03918	2.2
128.10727	2.8
129.10254	2.1
132.10188	31.2
137.05968	2.5
138.05476	5.1
142.08641	5.6
147.04399	2.5
150.09157	2.5
154.08653	1.8
154.12302	1.2
156.06535	9.2
162.09079	1.3
164.10718	1.6
172.09679	2.7
178.04909	1.1
180.10164	1.0
184.13333	1.1
198.04649	1.1
209.16531	1.7
211.14221	1.3
214.14355	6.5
220.05887	1.1
223.14388	3.4
225.15956	3.7
236.07109	1.1
241.15375	2.6
251.17708	1.2
265.19217	1.0
281.18634	3.2
283.20163	1.8
288.18063	0.9
299.16165	1.2
299.19623	25.2
317.20700	100.0
317.25821	6.2
318.11722	1.6
318.17853	1.8
318.21454	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	317.2108
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01862	3.4
55.05505	11.8
57.07074	10.0
58.06572	2.5
59.04992	4.2
65.05929	1.7
67.05172	2.7
67.05501	43.0
69.03409	6.6
69.07053	5.2
70.06590	12.9
71.04978	3.9
71.08622	4.2
72.26508	1.7
79.05479	9.6
81.06622	2.8
81.07056	26.1
83.04969	2.9
83.08610	5.8
83.87955	1.8
85.06545	2.5
88.07626	17.8
91.05474	9.8
93.07029	16.3
95.04967	23.4
95.08603	16.3
96.04136	1.7
97.06514	7.7
100.68851	1.9
102.09159	10.3
105.07040	16.1
107.08587	36.3
109.06517	17.4
109.10149	71.1
117.07021	4.6
119.07782	3.4
119.08572	46.3
121.06478	5.1
121.10135	11.2
123.04434	3.2
123.08077	21.3
128.06218	3.1
129.07005	2.3
131.08557	6.6
133.06497	2.8
133.10104	8.1
135.08018	12.9
135.11699	2.7
137.06007	3.0
137.09607	62.5
137.93588	2.0
143.08493	4.2
145.10083	10.8
147.08005	3.6
147.11674	5.5
149.09633	5.2
151.07532	51.9
153.05444	5.0
153.09166	2.6
155.08562	2.7
155.10626	2.0
156.09308	2.9
157.10056	4.1
159.08054	3.7
159.11656	7.4
161.09642	10.4
161.13257	2.7
163.11131	3.7
165.09116	6.4
167.07086	4.1
171.11716	5.9
173.05957	2.7
173.09631	3.9
173.13309	3.0
175.11191	5.6
177.09085	4.2
181.08577	5.7
181.10028	1.8
181.12172	2.8
185.09601	2.3
185.13271	2.6
187.14690	2.8
189.12711	22.7
191.10698	2.8
197.13304	2.2
199.11127	2.2
199.14828	2.6
201.12665	2.9
203.14357	2.3
207.13799	22.2
213.27869	1.8
214.64912	2.2
215.14302	5.5
217.12212	2.3
221.15375	6.7
233.15361	4.8
237.14764	8.7
243.13873	7.6
256.26321	39.1
261.14847	5.8
262.14340	7.6
281.19077	3.6
299.20020	14.2
317.21097	100.0
318.21384	6.9
318.30008	92.0
330.56931	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	317.1859
Annotation	julocrotine
Peak:m/z	Relative Intensity
55.05494	1.2
56.05028	1.1
56.96559	1.3
67.05513	0.9
69.03414	1.1
70.06590	4.3
71.04961	0.6
71.54168	0.7
72.08156	3.1
73.02917	0.4
79.05473	0.6
81.03408	0.8
81.07045	0.8
82.06573	0.8
83.04974	0.3
84.04507	0.6
84.08140	3.2
85.02880	1.2
86.06061	0.8
86.09692	0.4
87.09195	0.5
91.05480	1.8
93.07026	1.5
94.68592	0.3
95.04964	0.9
95.08602	0.4
96.08144	0.5
97.02905	0.8
98.06046	1.7
98.09683	0.6
98.97562	0.5
105.07005	1.4
107.04959	1.8
107.08632	0.5
108.08130	0.7
109.02891	0.4
109.06493	0.6
110.05999	0.5
110.09676	1.9
114.05503	0.7
114.70567	0.4
116.98607	0.9
117.06994	1.0
119.08586	1.0
121.02868	0.5
121.06489	1.0
122.05977	0.5
122.09623	0.5
123.04458	0.4
127.03929	2.9
129.06979	0.7
129.10167	0.3
130.05014	0.6
131.08542	1.5
133.10112	0.8
134.09676	0.5
136.07623	0.5
137.02321	0.5
137.05913	0.4
139.03851	0.4
141.06960	0.4
143.08572	0.6
145.06429	0.8
145.10086	1.0
146.99626	0.4
147.04396	1.8
148.11186	1.3
155.03410	0.4
155.07068	0.5
159.08037	0.7
159.11707	1.3
160.58344	0.4
161.01085	0.4
161.09589	0.9
162.12755	1.1
169.10136	0.5
174.12746	0.7
176.10721	0.5
176.14322	2.5
186.12787	1.6
187.11197	1.1
201.00757	0.6
202.12231	4.3
204.13818	6.6
236.04364	0.4
254.05496	0.6
275.17578	3.5
287.10141	0.5
289.19061	2.1
299.10196	0.8
300.14093	0.4
317.18564	100.0
318.18979	3.3
325.06610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.186
Annotation	julocrotine
Peak:m/z	Relative Intensity
51.89817	0.4
53.03936	0.8
55.01864	2.1
55.05493	1.6
56.05027	1.1
56.96540	0.8
58.02958	0.5
65.03940	0.4
67.05496	2.2
68.05666	0.4
69.03411	1.3
69.07052	0.7
69.57783	0.4
69.58089	3.7
70.06577	3.8
71.04984	0.5
72.08153	4.9
79.05488	4.4
81.03422	1.2
81.07049	0.8
81.31396	0.4
82.06592	0.4
83.04956	0.6
84.08130	1.3
85.02890	1.9
86.06059	6.1
86.09688	1.1
87.04478	0.5
91.05466	7.2
93.07036	5.4
95.04960	1.5
96.04456	1.0
97.02886	1.1
98.06046	6.6
98.09644	0.5
98.20708	0.5
98.97549	1.1
103.05428	1.1
105.07021	10.0
107.04955	2.0
108.08126	0.8
109.02846	0.8
110.06010	1.7
111.06831	3.2
112.07608	0.5
114.05521	4.5
115.05419	0.9
116.07140	0.4
116.98640	0.7
117.07008	8.2
119.04910	1.1
119.07288	0.7
119.08560	1.2
120.08112	0.8
121.06519	0.5
121.08887	0.5
123.04409	0.5
124.07582	6.0
125.08369	1.7
126.05508	1.2
127.03925	2.9
128.06189	1.0
129.07016	2.7
130.07776	2.3
131.04906	1.4
131.08580	6.1
132.08075	0.7
133.06465	0.9
134.06052	0.5
134.09642	7.8
136.07497	0.6
143.08549	1.3
144.05637	0.7
144.08101	0.5
145.06473	4.0
145.09006	0.4
145.10112	11.1
146.09624	1.1
147.04387	2.5
147.07977	1.0
147.11681	0.9
148.07536	0.5
150.09192	0.6
152.07059	0.4
153.06938	0.6
155.06857	0.9
155.08545	3.4
156.10197	0.7
158.07243	1.3
162.09131	100.0
163.09619	1.6
173.08112	0.9
173.09607	15.9
176.07091	0.7
176.14378	0.7
186.12756	1.0
201.00768	0.9
202.12314	0.8
204.13812	5.2
205.09712	0.7
218.11775	0.7
250.29008	0.5
257.04181	0.6
257.12784	0.9
275.13858	9.6
286.14371	1.2
287.10367	0.8
299.10001	1.0
299.17563	0.5
300.14694	0.5
308.65317	0.5
317.12128	6.8
317.18573	98.6
318.15372	0.7
318.18866	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	317.1857
Annotation	CP 80633
Peak:m/z	Relative Intensity
55.01858	0.4
55.05489	0.5
56.05038	0.9
56.96547	0.3
67.05476	0.7
68.05025	0.2
69.03404	0.4
70.06582	3.2
71.53230	0.2
72.08134	1.5
72.39216	0.2
79.05484	0.8
81.03421	0.3
81.07014	0.3
82.06553	0.5
83.04956	0.2
84.08129	2.6
85.02874	0.7
86.01179	0.2
86.06039	0.8
86.09717	0.2
91.05460	1.3
93.07037	1.1
95.04945	0.5
95.08591	0.4
96.08105	0.4
97.02891	0.2
98.06036	1.7
98.97575	0.2
105.07024	1.4
107.04939	0.7
107.08571	0.5
108.08089	0.8
109.02873	0.4
110.06034	0.4
110.09673	1.1
114.05506	0.9
117.07000	0.9
119.04912	0.3
119.08559	0.7
120.08044	0.3
121.02813	0.3
121.06448	0.8
122.06051	0.2
122.09590	0.2
126.05462	0.4
127.03883	0.4
129.07051	0.3
131.04890	0.2
131.08540	0.9
133.06450	0.6
133.10106	0.7
134.09627	0.3
136.07553	0.5
139.03767	0.2
141.06955	0.2
143.08543	0.4
144.09346	0.3
145.06471	0.8
145.10110	0.7
146.99672	0.2
147.04382	1.3
148.04796	0.2
148.11214	0.9
150.09111	0.4
157.10081	0.2
158.09679	0.3
159.08000	0.5
159.11679	1.0
160.11197	0.4
161.09569	0.8
161.11896	0.2
162.09056	0.3
162.12726	0.9
163.09888	0.2
169.10092	0.4
174.12759	0.6
175.11157	0.2
176.10728	0.4
176.14334	2.8
186.12749	1.6
187.11223	1.4
191.13020	0.2
200.10744	0.2
202.12250	4.6
204.13818	6.4
216.82484	0.2
218.11792	0.4
234.11078	0.2
235.14461	0.2
237.02727	0.2
247.04514	0.2
275.17508	4.1
288.15729	0.2
289.18988	2.0
295.08594	0.2
299.17471	0.4
315.17139	0.4
317.18549	100.0
318.18903	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	317.1382
Annotation	Pochonin F
Peak:m/z	Relative Intensity
51.02378	0.4
53.03950	0.4
55.01866	1.2
55.79720	0.3
65.03915	0.4
67.05511	2.9
68.99772	2.1
69.38886	4.2
79.05485	4.9
81.07043	2.5
85.06518	0.7
87.99313	0.3
91.05473	6.1
93.07050	3.3
93.41010	0.3
95.04970	5.8
95.08601	0.9
98.21513	0.7
103.05472	4.7
105.07025	14.8
106.07382	0.4
107.04945	2.6
107.08565	0.8
109.06536	0.9
109.10136	0.6
115.05441	1.1
116.06207	0.5
117.07012	3.7
119.04928	1.2
119.08602	2.2
121.06509	5.7
121.10123	0.5
123.04424	95.4
123.08039	1.2
124.04743	2.1
128.06279	0.5
129.07014	2.0
131.04922	1.0
131.08537	0.9
132.05730	0.9
133.06474	1.4
135.04411	0.4
135.08052	5.3
137.05974	0.7
137.09612	0.6
144.05682	0.5
145.06468	1.4
146.07271	1.4
147.04401	1.4
147.08029	1.1
149.05977	18.0
149.09595	2.4
150.06448	0.5
151.07541	1.7
158.42461	0.4
159.08055	0.7
161.05956	2.4
161.09618	4.5
162.06760	5.4
163.07539	31.9
164.07874	1.0
165.09099	1.1
173.05949	0.8
174.06767	3.8
174.76611	0.4
177.09100	69.2
178.09435	2.2
181.08588	23.9
182.08852	0.9
189.07382	0.5
189.09094	8.8
189.10719	0.6
190.09430	0.5
195.10056	0.7
207.10168	1.0
253.12325	0.5
258.00491	0.4
281.11700	0.9
284.10440	0.9
299.12762	100.0
300.13086	7.0
317.06458	0.7
317.13736	0.8
339.33569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.138
Annotation	Pochonin F
Peak:m/z	Relative Intensity
53.03942	0.5
55.01855	1.2
55.05496	0.4
61.00405	0.3
65.03915	0.6
67.05499	2.7
67.22943	0.3
68.99461	0.3
68.99771	1.4
70.68907	0.7
70.69279	0.6
74.07980	0.3
77.03954	0.5
79.05481	4.0
81.07056	2.5
85.02885	0.5
91.05466	6.8
92.05741	0.4
93.07024	3.3
95.04962	5.1
95.08582	0.4
103.05465	4.8
105.03393	0.3
105.07019	13.8
107.04944	2.6
107.08590	0.8
109.06527	0.8
109.10149	0.5
115.04730	0.3
115.05441	1.3
115.66328	0.3
116.06239	0.5
117.07005	4.5
119.04920	1.2
119.08589	2.6
121.06487	4.2
123.04415	94.7
123.08047	0.9
124.04736	2.5
126.93437	0.3
128.06221	0.7
129.06990	2.1
131.04886	1.0
131.08546	1.0
132.05696	0.9
133.06470	1.4
133.10130	0.3
135.04408	0.6
135.08038	5.2
136.05182	0.6
137.05930	0.9
137.09554	0.4
141.06949	0.3
144.05679	0.9
145.06458	1.2
146.07237	1.2
147.04411	1.5
147.08054	1.2
149.05971	16.8
149.09610	2.8
150.06558	0.5
151.07538	2.3
152.07973	0.4
153.05424	0.7
157.10161	0.3
158.07248	0.5
159.08028	0.8
160.05179	0.5
161.05971	2.8
161.09608	5.3
162.06729	5.6
163.07527	32.2
164.07835	2.0
165.09113	1.9
173.05968	0.7
174.06761	3.7
175.07497	0.8
176.07840	0.3
177.09088	69.1
178.09422	2.8
178.98494	0.4
181.08578	21.9
182.08929	1.2
189.07376	0.6
189.09082	9.3
191.10652	0.3
193.08464	0.4
195.10153	0.6
197.09549	0.4
207.10033	0.7
209.28595	0.3
213.12871	0.3
253.12201	0.3
281.11728	0.7
284.10321	1.0
286.11566	3.2
299.12750	100.0
300.13083	8.0
317.06433	0.3
317.10367	0.7
317.13751	1.8
317.17105	0.4
317.21140	0.7
317.28287	0.4
329.56787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
52.94993	0.2
53.03937	0.5
53.71880	0.2
55.01867	0.7
55.05497	0.6
57.07068	0.3
65.03923	0.7
67.05495	2.9
68.99779	2.2
69.03407	1.0
69.07053	0.6
70.06577	0.5
70.90186	0.9
71.04994	0.6
79.05485	1.6
81.03398	0.6
81.07055	3.9
82.04179	0.3
83.04963	0.6
83.08611	0.6
84.08089	0.3
85.02896	2.5
85.06518	0.8
91.05467	1.5
93.03403	0.7
93.07032	1.9
94.04201	0.3
95.04972	3.2
95.08601	2.2
97.02874	0.4
97.06533	3.2
103.05462	0.8
105.03365	0.6
105.07020	0.9
107.04947	0.8
107.08604	1.7
109.02851	0.7
109.06507	0.7
109.10141	1.4
110.03594	1.4
111.04409	0.5
111.08044	0.4
111.11713	0.4
115.05432	0.5
119.04943	0.6
119.08582	0.8
121.02876	0.5
121.06499	1.0
121.10132	1.1
123.04412	5.5
123.11712	0.5
125.05984	6.1
127.03869	0.5
131.04915	0.7
131.08603	0.3
132.58380	0.3
133.02812	0.3
133.10098	0.7
135.04398	0.5
135.08022	0.4
135.11665	0.9
137.05945	1.5
137.13217	0.3
138.03110	5.0
139.03893	0.9
141.05467	3.0
145.06398	0.4
145.10156	0.4
147.04398	1.0
147.11691	0.7
149.02316	0.4
149.05963	2.7
149.09616	0.4
149.13229	0.7
150.03108	1.1
153.02032	2.3
153.05452	100.0
154.05812	2.0
159.11832	0.3
161.06007	0.4
161.09621	0.4
161.13235	0.4
162.03107	1.9
163.03806	0.8
163.07535	1.2
163.14810	0.5
164.04539	0.6
165.05431	1.4
165.09140	0.3
167.06982	0.4
173.05934	0.4
175.14803	0.5
177.05450	19.4
177.09027	1.7
178.06125	0.9
179.03368	0.9
181.08565	0.6
187.07454	0.3
189.16393	0.5
193.04955	3.2
200.04773	0.3
205.04997	0.4
215.07013	0.5
217.04886	0.6
228.04124	0.5
229.04904	3.6
236.09195	0.3
237.08894	0.3
245.22662	0.6
254.05469	0.4
256.03552	0.4
257.04431	1.8
257.08075	0.3
263.23477	0.4
271.06003	1.0
281.24887	0.3
285.03918	1.5
285.07547	1.4
289.10815	0.5
299.05829	2.6
299.09204	1.5
299.12439	2.7
302.04184	1.7
302.07385	0.5
317.06522	14.7
317.10150	9.9
317.14145	0.5
317.18176	0.7
317.21295	0.6
317.25067	1.0
318.06918	0.9
318.10464	0.3
325.55048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1017
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
53.03931	0.2
55.01867	0.5
55.05515	0.4
58.39097	0.2
65.03922	0.7
67.05492	2.5
68.99785	1.6
69.03416	0.8
69.07053	0.5
71.62632	0.3
72.08133	0.3
79.05479	1.1
81.03407	0.2
81.07044	1.5
82.04185	0.4
83.04947	0.5
85.02906	1.6
91.05472	0.9
93.03394	0.7
93.06546	0.2
93.07034	1.0
94.04167	0.2
95.04966	2.8
95.08582	0.6
97.02879	0.2
97.06530	2.1
103.05478	0.4
105.07005	1.0
107.04938	0.5
107.08567	0.8
109.02876	0.3
109.06529	0.4
109.10146	0.8
110.03661	1.1
111.04455	0.2
113.55219	0.2
116.62473	0.2
119.04919	0.5
119.08566	0.6
121.02825	0.3
121.06502	0.5
121.10151	0.5
123.04424	2.3
125.05978	6.0
131.04893	0.5
131.08524	0.3
133.02843	0.3
133.10121	0.4
134.03654	0.2
135.04330	0.3
135.08014	0.2
135.11699	0.4
137.05992	0.8
138.03113	4.2
139.03912	1.2
141.05455	2.4
143.08488	0.2
145.10152	0.5
147.04410	0.6
147.11652	0.3
149.05980	1.0
149.09619	0.3
151.07524	0.3
153.05450	100.0
154.05789	2.4
159.11673	0.3
161.05966	0.3
162.03113	1.7
163.03900	0.7
163.07527	0.5
164.04584	0.4
165.05463	1.4
169.06613	0.2
171.11696	0.3
173.09567	0.2
177.05450	16.0
177.08864	0.4
178.02574	0.2
178.05981	1.0
189.09064	0.2
193.04948	2.5
201.05380	0.2
253.04788	0.2
257.08286	0.2
284.10184	0.2
285.07578	1.2
285.10220	0.2
287.47375	0.2
289.10742	0.4
299.12823	0.9
299.16153	0.2
299.23792	0.2
302.07529	0.3
317.06720	0.3
317.10126	8.9
317.17783	0.5
317.21243	0.4
317.25150	0.7
318.10513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94993	0.2
53.03937	0.5
53.71880	0.2
55.01867	0.7
55.05497	0.6
57.07068	0.3
65.03923	0.7
67.05495	2.9
68.99779	2.2
69.03407	1.0
69.07053	0.6
70.06577	0.5
70.90186	0.9
71.04994	0.6
79.05485	1.6
81.03398	0.6
81.07055	3.9
82.04179	0.3
83.04963	0.6
83.08611	0.6
84.08089	0.3
85.02896	2.5
85.06518	0.8
91.05467	1.5
93.03403	0.7
93.07032	1.9
94.04201	0.3
95.04972	3.2
95.08601	2.2
97.02874	0.4
97.06533	3.2
103.05462	0.8
105.03365	0.6
105.07020	0.9
107.04947	0.8
107.08604	1.7
109.02851	0.7
109.06507	0.7
109.10141	1.4
110.03594	1.4
111.04409	0.5
111.08044	0.4
111.11713	0.4
115.05432	0.5
119.04943	0.6
119.08582	0.8
121.02876	0.5
121.06499	1.0
121.10132	1.1
123.04412	5.5
123.11712	0.5
125.05984	6.1
127.03869	0.5
131.04915	0.7
131.08603	0.3
132.58380	0.3
133.02812	0.3
133.10098	0.7
135.04398	0.5
135.08022	0.4
135.11665	0.9
137.05945	1.5
137.13217	0.3
138.03110	5.0
139.03893	0.9
141.05467	3.0
145.06398	0.4
145.10156	0.4
147.04398	1.0
147.11691	0.7
149.02316	0.4
149.05963	2.7
149.09616	0.4
149.13229	0.7
150.03108	1.1
153.02032	2.3
153.05452	100.0
154.05812	2.0
159.11832	0.3
161.06007	0.4
161.09621	0.4
161.13235	0.4
162.03107	1.9
163.03806	0.8
163.07535	1.2
163.14810	0.5
164.04539	0.6
165.05431	1.4
165.09140	0.3
167.06982	0.4
173.05934	0.4
175.14803	0.5
177.05450	19.4
177.09027	1.7
178.06125	0.9
179.03368	0.9
181.08565	0.6
187.07454	0.3
189.16393	0.5
193.04955	3.2
200.04773	0.3
205.04997	0.4
215.07013	0.5
217.04886	0.6
228.04124	0.5
229.04904	3.6
236.09195	0.3
237.08894	0.3
245.22662	0.6
254.05469	0.4
256.03552	0.4
257.04431	1.8
257.08075	0.3
263.23477	0.4
271.06003	1.0
281.24887	0.3
285.03918	1.5
285.07547	1.4
289.10815	0.5
299.05829	2.6
299.09204	1.5
299.12439	2.7
302.04184	1.7
302.07385	0.5
317.06522	14.7
317.10150	9.9
317.14145	0.5
317.18176	0.7
317.21295	0.6
317.25067	1.0
318.06918	0.9
318.10464	0.3
325.55048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
52.42289	0.2
55.05495	0.4
57.03411	0.5
59.23921	0.2
62.68414	0.2
67.01833	0.7
67.05486	0.5
68.99776	1.6
69.03394	0.7
69.07051	0.3
71.04964	0.2
71.63536	0.3
72.08126	0.5
79.05478	0.3
81.03383	0.5
81.07030	0.8
83.04942	0.4
84.08128	0.2
85.02880	0.4
85.06511	0.3
91.05457	0.6
92.02610	0.2
93.07000	0.3
95.04933	0.4
95.08624	0.5
97.02885	0.5
97.06506	0.3
105.03373	1.8
105.07014	0.4
107.04955	0.5
107.08601	0.5
109.02822	0.6
109.06498	0.2
109.10140	0.4
111.00798	0.2
111.04422	0.4
115.05378	0.2
117.06993	0.5
119.04884	0.4
119.08547	0.3
121.02881	1.1
121.10100	0.3
123.04430	1.1
124.01512	0.4
125.02327	0.2
125.05972	0.3
126.03074	0.3
127.03868	0.2
128.06213	0.4
129.06911	0.3
131.04897	0.6
133.02818	1.0
134.03590	0.5
134.29118	0.2
135.04445	1.3
137.02267	0.3
137.05948	0.5
139.03857	1.3
145.06458	1.4
147.04355	0.6
149.02307	0.6
150.03104	4.0
151.03801	0.4
153.01813	21.7
153.05397	1.7
154.02135	0.6
155.04871	0.7
157.06454	0.8
159.04446	0.3
161.05928	0.6
163.03847	1.2
164.04718	0.3
165.01808	0.3
167.06938	0.2
170.02112	0.3
171.02895	0.5
171.04370	0.4
173.05948	1.7
173.09538	0.2
176.04637	0.4
177.01794	0.8
177.05450	0.6
179.03389	0.5
181.04916	1.2
183.04381	0.7
185.05923	0.7
187.03882	1.4
191.03368	2.6
192.04085	0.5
194.02110	0.5
200.04619	0.3
201.05479	1.8
203.03368	2.2
204.04161	2.8
205.04939	6.2
209.04381	1.3
211.03949	0.3
213.05464	2.3
215.03369	1.4
217.04942	1.0
228.04175	1.5
229.04939	33.6
230.05302	1.0
231.02927	0.7
232.03542	0.6
233.04465	1.0
239.03406	1.2
241.04897	0.4
243.02962	0.4
243.06454	0.6
245.04453	0.7
246.05121	0.3
247.05988	1.2
256.03687	0.6
257.04425	23.8
258.04880	0.8
261.07590	1.3
271.06000	1.6
273.03918	0.4
274.04694	1.0
284.03140	1.6
285.03925	7.2
286.04364	0.3
287.10196	0.4
289.07068	0.8
299.05728	1.0
299.08734	0.3
299.16846	0.3
301.03473	0.4
302.04199	10.6
303.04312	0.3
317.06531	100.0
318.06839	4.1
321.06403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
50.69858	0.2
53.03937	0.3
53.14405	0.2
53.54676	0.2
55.01855	0.3
55.05494	0.6
57.03418	0.4
58.06577	0.3
66.32592	0.2
67.01830	0.3
67.05492	1.5
68.99780	1.8
69.03410	0.5
69.07064	0.4
70.06553	0.3
71.01308	0.2
71.04955	0.4
72.08154	0.4
79.05455	0.8
81.03407	0.3
81.07042	1.5
83.04969	0.4
83.08601	0.3
84.08134	0.3
85.02905	0.3
85.06516	0.3
91.05454	0.8
93.07011	0.8
95.04968	1.1
95.08599	2.0
97.02870	0.6
97.06496	0.6
97.10123	0.2
99.00777	0.4
103.05452	0.6
105.03392	1.5
105.07034	1.1
106.75969	0.2
107.04917	0.7
107.08614	1.1
109.02819	0.3
109.06481	0.4
109.10143	1.1
111.04413	0.7
112.01571	0.7
115.05462	0.3
117.07011	0.8
119.04936	0.5
119.08578	0.7
121.02872	0.6
121.06471	0.6
121.10120	0.8
122.06025	0.5
123.04419	4.0
123.11669	0.5
127.00249	0.9
128.06186	0.4
129.07019	0.3
131.04909	0.9
133.02834	1.0
133.06429	0.3
133.10127	0.4
134.03621	1.0
135.04413	1.6
135.07985	0.2
135.11653	0.4
137.05951	0.8
139.03888	1.6
140.01010	0.5
145.06491	1.4
147.04402	1.0
147.11647	0.4
149.02333	0.5
149.05988	0.4
149.09613	0.3
149.13234	0.3
150.03105	3.3
151.03812	0.4
151.07513	0.5
153.01817	20.1
154.02122	0.5
155.04886	0.6
157.06473	0.8
159.04335	0.3
161.05945	0.7
161.13205	0.2
163.03886	1.4
163.07538	0.7
165.05464	0.9
167.03386	0.4
168.00554	2.5
169.01254	1.0
170.02148	0.4
171.02966	0.3
171.11639	0.3
173.05983	2.0
176.04672	0.3
177.01869	0.5
177.05435	0.7
177.09081	0.9
179.03441	0.3
181.04900	0.3
183.02872	0.5
183.04388	0.8
184.05074	0.3
185.05832	0.5
186.01593	6.7
186.03271	0.4
187.03896	1.5
189.05453	0.7
191.03381	2.7
191.10599	0.3
192.04184	0.6
195.06487	1.4
197.10773	0.3
201.05481	1.9
203.03317	2.0
204.04169	2.6
205.04941	4.8
209.04448	0.9
211.03889	0.5
213.05452	2.4
215.03447	1.1
216.04149	0.4
217.04884	0.6
218.05664	0.3
225.10251	0.3
228.04141	1.2
229.04945	34.2
230.05415	0.8
231.02872	0.7
232.03693	0.9
233.04410	1.1
233.07994	0.3
239.03305	1.3
241.04895	0.5
243.02937	0.4
243.06642	0.7
245.04417	0.4
246.05148	0.4
247.06094	2.1
253.09666	0.3
256.03610	0.6
257.04434	23.9
258.04907	0.6
261.07574	1.3
271.06012	1.3
271.10751	0.3
274.04593	0.9
281.24649	0.5
284.03070	1.8
285.03909	6.1
285.07022	0.5
286.04333	0.3
289.07047	0.7
299.05426	0.9
299.09930	1.5
299.13232	1.3
299.20117	0.3
301.03430	0.4
302.04172	9.9
316.27066	0.4
317.06531	100.0
317.25101	0.9
318.06909	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.45108	0.3
53.03949	0.3
55.01860	0.3
55.05506	4.5
56.05031	4.1
57.03438	0.7
57.07076	1.8
58.06594	0.3
60.04521	100.0
61.04861	0.6
65.03934	0.3
65.22880	0.2
67.05499	8.0
68.05022	0.6
69.07063	5.3
69.98473	1.6
70.06581	0.8
71.04967	0.5
71.08630	0.6
72.04518	2.0
73.02930	0.5
74.06068	2.1
79.05488	3.1
80.05016	1.1
81.03414	0.6
81.07050	7.4
82.06577	1.2
83.04983	0.5
83.08613	2.8
84.08143	0.3
85.06565	0.3
85.10180	0.6
86.06062	0.8
87.04450	1.1
90.05552	1.2
91.05477	2.1
93.07034	3.2
94.06560	1.0
95.04958	1.0
95.07335	0.3
95.08600	7.2
96.08138	0.8
97.06523	0.4
97.10166	1.2
98.06081	0.5
100.07630	0.5
105.07036	1.3
106.22376	0.3
107.08581	2.1
109.10143	2.7
111.08031	0.3
111.11754	0.7
112.07587	0.9
116.07068	0.4
119.08582	1.1
121.10115	1.7
122.09639	0.4
123.04446	0.3
123.08064	0.2
123.11697	1.2
133.10136	1.0
134.56122	0.3
134.57269	0.4
135.11693	1.0
137.13240	0.4
140.10620	0.3
147.11633	0.4
149.13242	0.3
151.14806	0.4
153.12842	0.3
156.40929	0.3
159.74672	0.3
230.02675	0.2
238.30508	0.3
245.22595	0.4
250.25252	1.1
256.26465	0.3
262.25232	1.5
263.23676	0.8
268.26175	0.4
280.26358	10.8
281.26578	0.8
298.27383	14.0
299.27786	0.8
316.28442	52.3
317.06415	0.3
317.25247	0.5
317.28778	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	316.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05516	0.8
56.96538	0.5
66.67309	0.4
67.05502	0.9
69.03410	0.7
69.06721	0.5
69.07067	7.0
70.06594	1.1
71.63224	0.8
72.08163	2.4
77.67207	0.6
79.05504	0.8
81.03426	0.5
81.07035	0.8
83.04973	0.5
84.04498	0.5
84.08147	3.1
85.02907	0.9
86.09701	100.0
87.10027	1.0
91.05468	0.9
95.04933	0.7
95.08599	0.7
97.02862	0.8
97.06503	1.1
98.97581	0.6
105.07009	0.9
107.04935	0.6
107.08595	0.6
109.02847	1.0
109.06516	0.6
109.10143	0.5
110.02333	0.5
110.05933	0.4
110.09670	0.6
119.04923	0.9
119.41965	0.4
120.08095	0.5
121.02847	0.6
122.05982	0.5
123.04389	0.6
126.09156	1.3
127.03848	0.4
130.06505	1.0
132.10193	9.3
147.04402	1.6
150.03078	0.5
153.01830	3.2
154.02138	0.5
157.07536	0.5
157.13358	32.4
158.13734	0.5
167.03389	0.8
167.07024	0.5
168.03629	0.5
169.06390	0.4
173.05891	0.4
185.12845	29.2
186.13071	0.7
191.03552	0.5
195.02864	0.5
200.04442	0.6
203.13908	11.0
204.04190	0.4
209.05638	0.4
212.04283	0.4
216.07449	0.5
226.05797	0.7
229.04948	4.4
230.05293	3.4
241.04720	0.6
244.06900	2.7
245.07474	0.7
254.05238	0.9
255.06195	0.9
256.06717	0.8
257.04465	3.4
258.04800	3.2
269.04074	0.8
272.06384	2.2
282.04752	1.6
283.05533	1.6
284.06250	1.4
285.03903	1.2
286.04272	2.6
287.04910	1.4
299.05420	1.0
300.05972	3.6
301.06598	22.6
302.03891	0.8
302.06784	1.4
316.08945	56.6
316.22214	1.0
316.27505	3.1
317.06226	8.5
317.09384	2.4
317.14923	1.6
317.18524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
55.05506	0.7
56.96550	1.8
57.03411	0.6
58.06587	2.0
59.20222	0.4
61.02897	0.4
63.11586	0.5
66.75535	0.4
67.05501	0.9
69.03427	2.8
70.06594	6.1
71.04971	1.6
71.31561	0.8
72.04514	0.7
72.08146	3.7
73.02947	0.5
79.05456	1.4
81.03419	1.0
81.07047	1.6
82.06562	2.1
83.04980	0.7
84.04495	0.8
84.08123	5.3
85.02903	3.3
85.06499	0.6
86.06062	3.4
87.04442	1.1
91.05479	0.9
93.07032	1.5
94.06543	1.6
95.04949	1.3
96.08109	3.6
97.02872	1.7
97.06511	4.1
98.06068	0.9
98.09686	3.0
98.97572	1.0
99.04442	1.2
100.07610	5.7
101.08411	0.5
105.07007	1.2
107.04932	0.7
108.08099	2.8
108.47897	0.5
108.48644	0.4
109.02852	0.5
109.06474	0.5
110.06003	0.5
110.09647	1.3
110.55708	0.4
111.04414	1.5
111.08029	0.5
112.07590	4.3
113.05981	1.5
114.05524	1.3
114.09159	5.2
116.07076	0.8
116.98631	1.2
117.06989	0.7
119.08546	0.6
120.08091	0.8
121.06445	0.8
122.07143	3.0
122.09629	1.1
124.05251	0.7
124.07565	1.6
124.11208	4.3
125.05982	6.0
126.09144	2.1
127.03912	0.9
128.10670	1.0
129.06918	0.5
130.08630	6.8
130.12270	2.3
131.01630	0.7
131.08504	0.5
132.08063	0.6
132.10149	0.7
134.05978	0.6
134.09608	0.6
136.07578	4.2
136.11211	0.9
137.05966	0.8
138.05412	0.7
138.09125	1.1
138.12834	0.6
139.03900	1.1
139.09697	0.9
140.07088	1.0
142.08620	2.8
147.04385	0.9
147.08054	1.2
148.07581	0.7
148.09639	1.0
148.11220	1.1
149.09642	0.7
150.09122	5.0
150.12764	1.0
151.07433	1.1
152.07013	1.1
152.10692	1.5
153.10165	0.8
154.06136	0.8
154.08632	4.2
154.12283	0.7
156.06508	0.9
159.08022	0.6
160.07468	0.8
160.08662	0.6
161.01128	0.5
162.09113	2.7
164.07011	2.6
164.10681	1.2
166.08629	0.6
166.12253	1.1
168.10185	1.2
168.13879	0.9
170.11707	1.5
171.11319	0.6
172.12009	0.6
176.68138	0.6
180.10103	3.5
182.11731	1.9
184.13290	1.9
190.09959	0.5
192.10196	0.6
194.11807	1.4
194.15417	1.5
197.12915	0.5
198.11208	0.9
202.12297	0.5
205.13428	1.2
207.14890	1.2
208.13266	0.7
209.11404	0.5
210.06924	1.2
211.14317	4.3
212.09151	0.5
212.12814	1.7
212.16441	1.1
214.14339	1.1
218.11650	0.7
219.01761	0.5
219.10384	0.6
219.12505	1.5
220.07819	1.1
220.13217	0.7
221.12767	0.8
223.14377	7.5
225.12318	0.8
225.15886	0.9
234.07721	0.7
235.14478	0.9
236.12740	0.7
237.02844	0.7
237.12004	0.6
237.16048	1.0
239.13898	1.6
240.15950	1.3
241.15411	4.0
249.15921	1.1
250.07068	0.6
251.09612	1.9
251.17502	8.0
254.17500	4.1
255.13335	0.6
255.17021	2.4
257.14893	1.5
261.16061	1.2
263.17807	0.5
267.17014	4.5
267.20151	0.9
269.10651	0.9
273.14462	1.1
273.17938	0.8
279.16992	5.4
279.20630	1.7
280.15332	1.2
281.18610	0.8
297.10867	0.7
297.18115	25.3
297.21600	3.2
298.16373	1.8
300.16705	1.6
315.19086	100.0
315.22748	22.7
316.10745	0.8
316.13858	2.0
316.19302	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	315.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
55.05301	1.0
55.05515	11.2
56.05013	2.3
56.90228	1.3
56.96552	1.9
57.03430	1.3
57.07054	1.4
58.06588	8.1
58.09177	1.1
60.05632	1.4
61.02906	1.8
61.47099	1.3
67.05499	2.0
68.05018	1.1
69.03415	3.9
69.07065	2.9
70.06251	0.9
70.06588	19.7
71.04966	1.6
71.07362	3.8
71.31464	1.5
71.31799	1.6
72.08151	75.4
73.08472	1.8
79.05475	3.5
80.05016	1.1
81.03417	1.7
81.07042	3.4
81.46691	1.1
82.06572	3.0
84.04507	3.6
84.08140	18.3
85.02889	5.5
86.02434	1.7
86.06054	4.3
86.09698	10.2
88.07626	2.3
89.10763	6.4
89.91913	1.1
91.05466	4.3
93.07040	2.9
94.06559	3.2
95.04946	4.0
96.08118	7.6
97.02890	2.9
98.06042	19.0
98.09682	2.8
100.07607	86.3
101.06019	1.4
101.08421	2.8
102.05498	1.3
105.03369	1.3
105.07005	2.8
107.04956	8.6
107.08597	1.4
108.05318	1.5
108.08104	8.9
109.02859	1.2
109.06487	1.7
110.02365	1.5
110.06039	1.3
110.09665	4.4
111.04450	2.6
111.08067	2.4
112.07565	6.1
114.09113	4.5
114.10294	1.6
115.08678	7.6
116.07086	2.8
116.98606	2.2
118.06496	1.3
119.04922	4.3
119.08522	1.4
121.02873	1.7
121.06469	1.9
122.09673	3.2
123.04431	3.0
124.03933	2.0
124.07587	7.0
125.06017	2.1
125.57521	1.3
126.09147	8.4
127.03938	1.9
127.08697	2.8
128.07040	4.3
128.10698	1.5
129.10225	3.8
130.08644	6.9
131.12907	2.2
132.10179	7.1
133.02863	7.7
133.06462	1.8
134.09642	4.4
134.99583	1.7
135.04376	1.5
136.07568	2.8
137.05957	3.2
138.09148	4.4
140.07033	2.0
145.06552	1.3
145.09685	1.5
146.09628	2.2
147.04401	15.6
148.04758	1.9
148.07680	2.4
148.09674	42.5
149.02304	2.2
150.09111	16.1
151.07507	2.0
152.07051	3.7
152.10678	4.4
153.05472	2.4
154.08623	25.0
156.10153	1.4
157.09766	1.8
157.10962	2.1
162.09129	58.8
163.03857	2.1
164.10701	4.4
165.05501	2.1
165.10210	1.5
166.04868	1.3
166.06198	1.6
169.09679	1.4
170.11760	2.2
174.09148	5.4
176.10715	3.1
177.05560	2.0
180.10179	12.2
186.05444	1.5
192.10237	6.0
193.13316	2.5
195.08090	1.2
195.14925	1.6
205.13351	13.4
206.11804	3.1
207.14999	2.4
209.16422	4.1
218.11722	10.3
219.14844	1.6
221.16522	2.2
223.14403	21.3
223.16402	2.0
224.14861	2.4
232.18933	1.2
234.11263	1.5
235.14424	2.8
237.16051	3.1
243.14940	2.6
249.15945	4.3
251.17532	1.6
253.15633	1.2
267.17029	33.2
268.17355	1.7
270.11569	1.8
279.13455	2.1
279.17105	4.4
281.18506	1.6
297.14740	2.4
297.18054	53.8
298.18552	2.4
299.11172	2.0
306.66486	1.4
314.67737	1.9
315.13715	2.9
315.19125	100.0
315.26584	7.1
316.14233	2.2
316.17285	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	315.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01862	4.8
55.05502	2.5
55.34532	1.0
56.96544	3.3
57.03434	6.2
57.03656	0.9
58.06602	1.5
58.99865	1.4
61.02924	7.9
67.05456	1.2
69.03420	16.1
70.06577	5.1
70.68603	1.0
71.04977	3.2
71.62136	1.8
72.08151	6.2
73.02920	7.9
74.06077	1.2
81.03408	5.7
81.07027	1.6
82.06561	2.1
84.04490	1.4
84.08141	8.0
85.02898	28.2
86.03170	1.4
86.06046	4.3
86.09711	1.4
87.04443	2.0
91.05460	2.0
93.07048	1.2
94.06554	2.2
95.04950	2.3
95.08590	1.5
96.04494	1.2
96.08131	6.4
97.02877	8.7
97.06542	5.2
98.06033	1.8
98.09710	2.8
98.97595	2.3
99.04436	4.2
100.07594	3.1
101.00891	1.3
101.02313	1.9
101.06004	3.8
105.07027	1.3
107.04927	1.2
108.08110	2.6
109.02877	4.3
110.09675	3.3
112.07588	3.3
114.09177	6.5
116.07074	1.9
116.98646	2.0
117.05442	1.4
119.01913	7.8
119.07166	1.4
119.08598	1.4
121.06469	1.4
124.07595	1.2
124.11220	2.7
125.05982	5.4
126.09126	3.6
126.98735	1.1
127.03886	11.6
128.98569	1.9
130.08638	4.4
131.01903	2.7
133.03474	1.6
134.99663	2.0
136.07591	2.2
137.02905	2.6
137.05984	2.5
138.05513	3.3
138.09131	2.8
140.07048	3.0
140.10629	1.4
144.99840	10.0
145.03427	1.8
145.04938	4.1
146.99593	2.8
147.04382	2.7
148.11063	1.2
149.02989	1.6
150.12798	1.2
151.07457	1.2
152.10786	1.4
153.05728	1.2
154.08646	2.5
155.01822	1.2
158.02992	2.0
159.01437	2.0
159.03152	1.1
161.02921	2.9
163.00902	3.5
163.08667	1.7
164.07065	23.7
164.10730	4.0
165.53728	1.7
166.08549	1.4
166.12331	1.8
170.02986	2.0
170.07921	1.3
172.99347	3.2
173.02960	2.8
174.04066	3.5
177.00833	1.4
177.02444	3.8
182.08084	1.6
184.09746	1.2
185.02882	1.9
186.07555	1.6
186.54277	1.7
187.00859	1.9
188.53998	3.0
191.00371	4.6
195.03430	1.5
196.04707	1.1
197.02980	3.7
198.02536	3.3
200.04016	1.6
205.01935	3.7
215.54523	4.5
219.01678	1.6
220.13283	2.7
221.05626	1.3
223.02942	1.4
224.55098	7.8
225.05162	3.3
225.55676	4.7
228.03528	1.5
233.55580	5.0
234.05685	3.0
234.56070	1.9
243.15091	1.9
245.01424	1.7
245.05083	2.6
246.04559	2.0
249.15955	4.3
252.16002	2.6
254.99860	2.4
261.15952	6.6
262.14334	1.9
267.16992	5.5
268.02979	2.4
273.00906	3.2
274.01297	1.3
279.17023	18.9
280.15369	1.8
286.04047	9.9
287.04202	3.3
288.03580	1.7
297.10931	2.2
297.14981	1.3
297.18097	22.4
298.03903	2.7
299.13852	2.2
301.00394	2.2
315.15933	5.3
315.19150	100.0
315.22427	4.0
316.16760	2.9
328.05267	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	315.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72182	1.1
53.03957	1.2
55.01860	1.6
55.05510	18.5
56.05017	2.0
58.06596	1.3
58.23482	1.2
60.04519	2.2
60.48880	0.9
65.03931	4.8
67.05507	1.8
67.53323	1.2
68.05006	2.2
69.03410	4.0
69.05794	4.6
70.06590	35.4
71.62353	1.7
71.62729	1.9
72.08151	100.0
73.08471	2.1
74.40216	1.2
77.03928	1.2
78.04692	1.0
79.05449	2.8
81.03417	2.8
81.07055	1.6
82.06556	1.8
83.06099	2.8
84.04466	2.7
84.08139	7.8
85.02904	2.5
86.02431	1.8
86.06046	1.2
86.09705	9.2
89.10783	14.2
91.05468	4.7
93.03398	2.3
94.04185	1.2
95.04964	3.3
97.02850	2.1
98.06055	41.1
98.09692	1.6
99.06338	1.4
99.09187	3.2
100.07626	2.7
103.05437	1.6
105.03393	4.0
105.07029	1.7
107.04964	10.7
107.08627	1.4
109.02870	2.5
110.06046	1.4
110.09613	1.2
111.04426	4.4
114.09176	1.3
114.10284	2.6
115.08685	27.9
116.07090	11.1
116.98606	1.3
117.03428	1.5
117.06999	1.4
118.47463	1.3
118.89170	1.0
119.04925	4.6
119.07414	1.3
120.08086	1.4
121.02861	12.1
122.03659	1.9
123.04376	2.5
123.64285	1.1
124.05246	1.2
125.05949	3.3
127.08688	12.9
128.07034	6.8
129.10236	1.4
130.08664	2.2
131.04959	1.6
131.12926	1.5
133.02858	20.2
134.03596	3.5
135.04352	2.2
137.05962	11.2
139.03847	1.3
145.02824	6.1
145.06453	1.4
145.09735	6.5
146.06018	2.1
147.04396	14.4
148.04947	1.1
148.07574	1.7
149.02335	6.6
149.05981	1.8
150.03091	1.8
151.03889	5.1
151.07536	1.5
152.07045	2.1
153.01860	1.4
153.05455	7.3
154.08572	2.7
157.09723	5.5
161.02396	1.4
161.06029	2.4
162.03152	2.0
162.05496	1.4
163.03902	5.0
164.04631	2.4
164.07063	1.2
165.05493	7.7
166.06258	5.1
169.19710	1.2
173.12862	4.7
177.01839	2.0
177.05487	15.9
178.02583	2.1
178.04890	2.0
181.04922	4.0
182.05386	1.2
182.36122	1.2
186.05598	1.5
191.03418	1.4
192.04066	1.9
192.06509	1.8
193.04935	12.9
194.05588	2.8
209.04524	1.5
210.05252	1.5
216.06464	1.5
218.11797	2.1
223.14401	1.8
232.09750	1.4
257.14713	1.4
262.10657	1.9
264.14685	2.7
265.15448	7.3
279.13354	3.9
280.11630	2.1
281.14926	1.2
283.12735	1.3
292.02698	1.4
297.18030	1.8
299.11011	3.7
300.11816	2.3
315.08987	2.2
315.14407	12.5
315.19028	4.2
315.26309	6.0
316.10422	1.4
316.17130	1.8
316.27426	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	315.1225
Annotation	(6aR,11aR)-3,9,10-Trimethoxypterocarpan
Peak:m/z	Relative Intensity
55.05508	1.7
56.96562	6.4
58.06594	0.9
65.03932	1.3
67.05499	6.0
68.74439	0.7
68.99789	1.3
69.59825	1.8
69.60244	4.5
79.05486	2.7
81.07065	2.6
91.05486	6.0
93.07043	2.0
95.04960	6.5
95.08595	1.4
95.62666	0.8
98.21471	1.6
102.76254	0.8
103.05474	1.4
105.07046	4.8
107.04947	1.7
109.06510	1.0
109.72691	0.8
115.05431	1.8
117.07005	1.7
119.04975	1.9
119.08611	1.4
121.06481	2.6
121.10146	1.2
123.04421	100.0
123.08025	2.1
128.98575	1.5
131.04926	0.9
132.05701	1.5
133.06480	1.3
134.03668	0.9
134.99686	1.1
135.08044	13.9
137.06003	1.3
141.05408	1.1
145.06442	2.0
146.99634	2.8
147.04362	2.0
147.08064	3.1
148.05205	8.3
149.05992	4.1
151.07550	2.4
152.04695	1.6
152.07944	1.5
160.05190	1.6
161.06067	1.3
163.07565	3.6
164.04663	2.7
165.00681	1.0
165.05482	1.0
167.07050	1.5
173.05991	2.2
174.89442	0.9
175.07532	1.4
177.09108	2.2
178.06245	5.3
179.07024	12.7
180.07220	0.9
181.08568	5.9
190.06264	2.7
190.60297	1.0
193.08589	35.0
195.02921	1.5
195.08034	1.2
205.08627	5.7
221.20746	0.8
223.07574	1.3
247.95532	0.9
251.07002	0.9
255.10147	1.5
283.02295	0.9
283.09625	2.0
299.11057	19.2
300.06512	1.0
300.11905	9.6
315.04813	1.2
315.12131	27.8
315.14478	19.9
315.22504	1.0
315.26450	1.4
316.12732	1.4
333.17313	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	315.1223
Annotation	angophorol
Peak:m/z	Relative Intensity
53.03937	0.5
55.01868	1.3
55.05508	0.9
57.03433	0.5
65.03940	1.2
67.05497	3.9
68.99783	4.8
69.03452	0.4
69.07054	1.2
69.40029	0.3
69.40330	3.4
79.05489	2.4
81.03421	0.6
81.07048	6.1
83.08643	0.4
85.02902	1.5
91.05467	7.2
92.31289	0.3
93.07029	3.5
95.04964	5.4
95.08591	1.8
97.02876	0.6
102.73026	0.4
103.05470	3.2
105.03394	0.4
105.07031	2.7
107.04961	1.8
107.08574	1.2
109.02879	0.9
109.06499	1.0
109.10151	1.1
115.05452	1.4
117.07004	1.2
119.04938	3.4
119.08543	0.8
121.06492	8.4
121.10132	1.0
123.04420	100.0
123.08043	8.9
124.04755	1.6
128.41341	0.4
131.04907	1.2
131.08578	0.4
133.06465	1.9
133.10138	0.7
135.04373	0.7
135.08014	0.8
136.05217	0.7
137.05980	1.7
145.06480	1.5
145.10094	0.8
146.03586	0.6
147.04384	2.8
147.08037	0.8
149.05972	24.1
149.09650	0.6
151.07529	13.6
152.06186	0.8
153.05554	0.4
153.06921	0.4
157.10103	0.7
159.08029	0.5
159.11650	0.5
160.05203	0.5
161.04637	0.6
161.05968	6.9
161.09680	0.5
161.13243	0.5
162.06686	0.5
163.07526	4.8
165.05519	0.4
165.07013	1.1
165.09135	0.3
166.07777	0.5
167.07005	1.0
167.08542	1.1
171.11661	0.4
173.06000	0.5
175.07526	1.3
175.11253	0.5
177.06987	0.9
177.09154	2.1
179.07022	73.7
180.05806	0.4
180.07372	1.1
191.07002	0.5
193.06540	0.5
193.08600	1.5
194.07310	1.1
195.02910	4.1
195.08032	2.9
201.12817	0.4
205.06467	1.1
205.08630	2.4
208.05183	0.6
209.05785	0.5
211.07684	0.5
212.08319	0.6
221.05975	0.7
222.06714	1.2
223.07532	4.3
224.08292	0.7
225.05418	0.6
227.32681	0.4
237.09227	0.6
239.06915	0.8
240.07724	1.6
241.08521	0.4
250.06512	0.6
251.07030	1.4
254.09157	0.4
255.10165	3.5
265.08582	0.9
267.06485	1.6
268.07266	0.9
269.08044	1.8
269.13144	0.4
283.02457	1.1
283.06473	0.8
283.09641	13.4
284.10458	2.0
297.07556	2.4
297.11005	0.7
297.22079	0.4
299.11127	2.2
300.06180	1.0
300.11734	1.3
315.04749	1.6
315.08539	3.2
315.12308	9.8
315.19583	0.8
315.23056	1.3
315.26636	1.1
316.12228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07151	0.5
55.01868	1.7
55.05500	2.4
59.84755	0.7
65.03916	1.0
67.01868	1.3
67.05498	3.3
68.99783	6.4
69.03426	2.3
69.07068	1.1
70.79395	1.1
70.79747	1.6
74.87410	0.6
79.05485	3.1
81.03419	1.0
81.07054	7.1
83.08598	1.0
85.02910	2.0
85.06528	0.8
86.99133	0.7
90.72308	0.6
91.05479	6.4
92.99766	2.3
93.03410	1.2
93.07061	3.8
95.04975	4.6
95.08596	2.1
97.02880	1.1
103.05485	4.0
105.03362	0.9
105.07043	3.0
107.04939	2.2
107.08579	1.8
109.02860	2.3
109.06544	1.4
109.10151	1.7
111.08049	0.9
115.05471	1.6
117.03381	1.1
117.07005	1.0
119.04977	3.4
119.08578	1.3
121.02867	1.8
121.06493	7.9
121.10162	1.2
123.04419	98.2
123.08052	9.8
123.11662	0.7
124.04739	1.7
129.09056	0.8
131.04930	1.8
131.08525	0.8
133.06488	1.7
135.04431	1.4
135.08044	1.2
137.02307	1.3
137.05933	1.3
145.06473	2.4
145.10081	1.2
147.04387	3.8
147.08015	1.1
147.11667	1.0
149.04781	1.4
149.05972	24.3
149.09563	0.8
151.03885	0.9
151.07527	19.4
152.06210	1.2
153.01839	1.1
153.05482	3.6
157.10168	0.8
159.11656	1.2
161.02388	1.0
161.05984	6.5
163.03903	1.6
163.07506	2.8
165.05582	0.7
165.06979	1.7
167.08586	2.7
169.06436	0.7
171.04466	0.6
173.05962	1.5
175.07507	1.6
177.05573	0.7
177.07011	1.9
177.09094	2.1
179.03557	3.7
179.07021	67.4
180.07420	1.1
185.09500	0.8
193.08450	0.7
194.07310	1.2
195.02910	6.1
195.08063	6.0
197.05989	1.0
198.06873	0.8
201.05260	0.7
205.08656	2.5
208.05162	2.8
213.09096	2.3
222.06755	1.2
223.07463	5.9
225.05431	1.6
229.04915	3.9
237.05434	0.8
237.09081	1.2
239.07059	1.6
240.07837	1.9
241.08513	3.2
251.07071	2.4
254.05635	0.8
255.02919	0.8
255.06337	1.2
255.10049	3.5
265.08633	1.1
268.07159	0.7
269.04953	0.7
269.07938	3.8
273.03912	1.9
279.06415	3.6
283.02414	5.9
283.09644	12.8
284.10269	1.4
287.05817	0.8
297.07562	100.0
298.07904	5.1
299.11130	2.4
300.06119	1.3
300.11920	1.3
315.04913	4.9
315.08609	41.3
315.12534	13.4
315.19531	1.7
315.23035	1.7
316.08887	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	315.1222
Annotation	angophorol
Peak:m/z	Relative Intensity
53.03935	0.7
54.07339	0.4
55.01853	0.9
60.14670	0.4
67.05498	3.3
68.99782	3.6
69.03408	0.5
69.07061	0.6
69.40797	4.9
74.26414	0.5
79.05491	1.7
81.03398	0.9
81.07053	4.8
81.93997	0.4
84.37656	0.4
85.02877	0.9
86.09700	0.6
91.05479	5.5
93.07036	3.9
95.04954	4.9
95.08606	1.6
96.01273	0.5
97.10159	0.5
97.43697	0.5
98.20697	0.9
103.05457	3.3
105.07021	3.1
107.04959	1.6
107.08580	0.9
108.05704	0.6
109.06509	1.0
109.10152	0.9
115.05451	1.3
117.07004	0.9
119.04948	3.0
119.08578	1.1
121.06495	7.9
121.10096	0.6
123.04414	100.0
123.08044	8.6
124.04754	1.3
131.04906	0.8
131.08553	0.8
133.06487	1.6
133.57098	0.5
135.04350	0.9
135.11678	0.5
137.05963	2.0
145.06454	1.5
145.10150	0.7
147.04402	2.7
149.05960	25.3
151.07523	13.4
153.05440	0.6
161.05959	4.1
163.07521	5.3
165.05519	0.9
165.06996	1.0
167.08601	0.6
175.07564	1.6
177.07008	1.0
177.09081	1.6
179.07018	69.1
180.07303	1.2
191.06966	0.7
193.06609	0.6
193.08589	1.6
195.02888	3.0
195.08034	2.0
205.08656	1.8
223.07471	1.9
240.07782	0.9
251.06894	0.7
255.10153	2.8
269.08102	1.2
283.09607	8.0
284.10080	0.8
297.07599	1.9
297.11066	0.9
299.10971	1.9
300.11829	1.1
315.04999	1.0
315.08487	2.9
315.12338	5.5
315.14926	0.8
315.23126	0.9
315.26382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1225
Annotation	Angophorol
Peak:m/z	Relative Intensity
53.03946	0.7
53.57936	0.3
55.01860	1.6
55.05508	1.0
56.11911	0.3
57.03435	0.8
65.03938	0.6
67.05499	3.3
68.99786	5.1
69.03421	0.8
69.07066	0.6
71.04984	0.7
71.63544	0.5
72.08134	0.4
79.05476	2.1
81.03422	0.9
81.07053	6.3
83.04971	0.6
85.02894	1.2
85.06548	0.7
86.09704	0.3
91.05470	4.5
93.07030	3.5
95.04961	5.0
95.08581	2.1
97.02882	0.5
97.06529	0.5
97.10127	0.5
99.04448	0.4
102.47949	0.3
103.05459	2.4
105.07032	1.7
107.04959	2.0
107.08587	1.0
108.05747	0.5
109.02866	1.5
109.06506	0.7
109.10148	0.9
111.04455	0.4
111.08036	0.4
115.05435	0.5
117.06977	0.9
119.04935	1.3
119.08593	0.9
121.02866	0.4
121.06496	8.3
121.10116	0.7
123.04420	100.0
123.08046	10.7
124.04751	1.7
125.09640	1.0
131.04941	1.3
131.08572	0.5
133.06461	0.8
135.04408	0.6
135.08028	0.6
135.11694	0.4
137.05992	1.2
137.60347	0.3
141.38065	0.3
145.06502	1.1
145.10092	0.5
147.04372	1.7
147.08047	0.6
147.11719	0.5
149.05972	28.0
149.09579	0.7
150.06509	0.5
151.07527	21.3
152.07892	0.4
153.01848	1.9
153.05455	0.4
161.05978	2.3
163.03922	0.3
163.07550	0.9
163.11243	0.4
165.06995	0.3
165.09065	0.4
173.06020	0.4
175.07518	0.9
175.14658	0.4
177.06870	0.3
177.09087	1.8
179.07022	75.3
180.05902	0.3
180.07335	1.8
181.06570	0.4
185.15421	0.3
191.07042	0.4
193.06819	0.3
193.08617	1.3
194.07352	0.6
195.02892	4.1
195.08040	0.9
199.07480	0.3
205.08585	1.7
208.05182	1.0
215.75633	0.3
223.07587	1.2
232.04359	0.3
237.09024	0.5
238.54399	0.3
255.10091	0.8
265.08618	0.5
268.03815	0.4
269.08157	1.0
283.05994	2.1
283.09616	3.8
284.10501	0.4
285.93552	0.3
297.07596	2.3
297.10730	0.4
299.11057	0.7
300.06146	0.4
300.11792	0.5
315.04807	0.5
315.08478	4.2
315.12369	6.1
315.20346	0.4
315.23267	0.6
315.26547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0861
Annotation	3-O-Methylalnusin
Peak:m/z	Relative Intensity
51.92430	0.2
55.05500	0.3
57.03423	0.6
58.81226	0.2
67.05481	0.7
68.99777	0.4
69.03410	0.4
69.07046	0.5
70.16481	1.1
72.08141	0.3
79.05481	0.6
81.03403	0.6
81.07030	0.8
83.04955	0.3
85.02895	1.3
89.65823	0.2
91.05470	0.5
93.07009	0.4
95.04944	0.8
95.08594	0.8
97.02877	0.5
103.05450	0.3
105.03382	0.5
105.07030	0.6
107.04940	0.4
107.08540	0.5
109.02872	0.7
111.07993	0.2
119.04961	0.3
119.08589	0.5
121.02833	0.2
121.06484	0.5
123.04421	11.2
123.08029	0.3
131.04883	0.5
133.02835	0.8
134.03610	0.9
135.11639	0.3
137.02310	0.7
137.05936	0.8
142.07681	0.2
147.04442	1.1
147.11682	0.3
148.05196	1.4
149.05956	0.7
151.07527	0.7
153.01781	1.4
161.05965	1.1
164.17465	0.3
165.07002	0.4
166.07637	0.4
166.65704	0.2
167.03400	1.8
167.08417	0.3
169.06468	0.3
173.05984	0.4
178.02498	0.3
179.07050	1.5
181.06419	0.5
181.08595	0.6
184.05174	0.5
189.01845	0.4
194.07231	0.3
195.02884	6.0
195.05527	0.4
195.07982	0.7
196.03152	0.4
197.05968	0.8
198.06717	0.5
199.07539	0.4
201.05405	0.6
208.05226	0.8
209.05898	0.3
212.04688	0.3
213.05463	0.7
214.06201	0.3
215.07062	0.6
222.06755	0.2
223.07545	0.9
225.05492	1.6
226.06273	1.1
227.06953	0.6
228.04202	0.6
229.04909	6.9
230.05560	0.3
239.03360	0.3
240.04187	0.8
240.07697	0.4
241.04935	0.3
243.06535	5.3
244.07185	1.5
251.07936	0.5
253.04932	2.3
254.05719	2.2
255.06451	1.4
255.10120	0.8
257.04443	6.5
258.04675	0.3
268.03693	1.3
268.06906	0.3
269.04489	0.3
269.08377	0.4
271.06006	3.2
272.06564	0.5
279.07819	0.4
281.04459	2.2
282.05203	3.4
283.05981	3.1
283.09625	3.4
284.10120	0.4
285.03973	4.7
286.04681	2.0
287.05658	0.2
297.08478	0.5
297.11389	0.6
299.05490	5.1
299.10989	0.7
300.06265	42.0
301.06601	2.8
315.08609	100.0
315.26202	0.7
316.08960	7.9
316.12357	0.3
322.78787	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	315.0858
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
58.06554	0.4
58.70473	0.3
65.03905	0.4
67.05470	0.3
68.99768	0.6
69.07022	0.3
69.29057	1.6
69.29481	2.7
79.05450	0.3
81.07021	0.7
85.02856	0.6
91.05428	0.8
93.06985	0.5
95.04942	0.4
95.08576	0.7
105.06952	1.0
107.08576	0.6
108.05704	0.3
109.10107	0.4
113.22634	0.3
119.04883	0.6
121.06472	0.8
121.10050	0.3
123.04414	2.9
132.05653	0.4
133.06487	1.6
134.07225	0.8
135.04355	0.4
135.07968	0.6
139.00217	0.8
145.06415	0.5
149.05911	0.5
151.07411	0.7
153.01704	0.5
157.06412	0.5
159.04442	0.5
159.08101	0.4
161.05966	2.3
170.07257	0.9
171.04404	0.4
171.08090	0.4
173.05853	0.4
174.06686	1.3
179.06981	1.6
185.00856	0.5
185.05972	0.8
186.01527	0.6
195.02838	1.0
198.06648	1.1
201.05424	0.9
208.05104	0.3
213.05455	1.0
223.07596	0.6
226.06198	0.5
227.06960	1.2
229.04910	2.0
230.05603	0.6
239.03406	1.3
240.04141	0.7
241.04939	8.8
243.06549	0.5
247.06047	0.5
248.06734	1.6
254.05656	0.8
255.06526	1.1
255.09875	0.4
257.04337	3.0
268.03714	0.8
269.04425	10.1
271.05911	2.4
272.06757	1.5
282.05209	0.9
283.02301	0.4
283.09589	1.6
285.03909	1.6
299.05582	2.3
299.11053	3.4
300.06250	64.6
300.11838	2.2
301.06531	2.9
315.08591	100.0
315.14026	6.6
316.08896	6.1
329.76917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	Aflatoxicol
Peak:m/z	Relative Intensity
50.16446	0.3
55.01826	0.6
55.05474	0.5
55.84604	0.3
65.03900	0.6
67.01808	0.9
67.05501	1.3
68.99779	1.7
69.03435	2.1
69.07019	0.3
70.18057	0.9
70.18465	0.6
79.05444	0.6
81.03371	0.5
81.07053	2.2
85.02858	0.5
91.05467	2.7
92.99763	2.4
93.03342	0.9
93.06972	1.1
95.01316	0.3
95.04964	1.5
95.05437	0.3
95.08559	0.5
103.05444	0.7
105.03337	0.8
105.06976	0.8
107.04864	1.2
107.56315	0.3
109.02811	0.4
109.06506	0.3
109.10126	0.4
117.03292	1.2
119.04930	2.0
121.02803	1.2
121.06487	2.1
123.04420	27.8
123.08060	2.5
124.04699	0.4
131.04871	0.8
131.17908	0.3
133.02776	0.3
133.06375	0.3
135.04337	1.1
135.11580	0.3
137.02312	0.6
137.05933	0.5
141.06873	0.3
145.02788	0.5
145.06404	0.9
147.04364	1.8
149.05966	7.2
151.03857	0.3
151.07530	4.9
152.06195	0.7
153.05438	1.5
157.06425	0.4
159.04340	0.4
159.11597	0.4
161.02217	0.8
161.05980	1.8
163.03877	1.5
163.07471	1.0
165.06888	0.8
167.08475	1.1
169.06355	0.5
171.02876	0.4
173.05957	0.5
175.03812	0.9
177.06961	0.6
177.08969	0.5
179.03444	3.6
179.07022	19.9
180.07274	0.5
181.06476	0.6
187.03770	0.3
194.07176	0.6
195.02892	1.9
195.08026	2.3
197.05939	0.8
198.06721	0.8
199.07568	0.3
201.05493	0.4
205.08557	0.4
208.05220	1.6
213.09155	1.5
216.13991	0.3
222.06741	0.4
223.07544	2.1
224.08005	0.4
225.05405	0.6
226.06226	0.7
229.04958	4.1
237.05348	0.5
240.04202	0.4
240.07693	0.4
241.08521	3.0
244.03624	0.4
247.05966	0.9
251.06950	1.0
253.04858	0.5
254.05794	0.6
255.02946	0.6
255.06444	1.1
255.10173	0.7
269.08084	2.8
273.03888	2.1
279.06506	3.9
283.02374	2.2
283.05185	0.3
283.06366	0.4
283.09598	3.6
287.05414	0.3
287.08868	0.3
297.07553	100.0
298.07904	6.5
299.10931	0.4
300.02731	0.6
300.06250	0.6
315.05060	2.7
315.08606	39.4
315.12338	3.7
315.26932	0.4
316.08975	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	315.0859
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
55.01855	0.4
55.05496	0.5
55.84914	0.3
57.03408	0.3
65.03921	0.6
65.83079	0.2
67.05474	0.7
68.99779	0.9
69.03413	0.4
69.07056	0.6
69.37869	2.6
71.04980	0.4
72.08125	0.2
79.05489	0.4
81.03412	0.6
81.07035	1.7
83.04953	0.3
83.08596	0.5
85.02883	0.4
85.06557	0.6
91.05467	2.2
93.07021	0.9
95.04961	0.7
95.08592	1.4
97.21153	0.3
103.05440	0.3
105.07008	0.8
107.04906	0.6
107.08544	0.6
109.02828	0.5
109.10129	0.9
118.04150	1.1
119.04926	1.7
119.08605	0.6
121.02850	0.6
121.10126	0.5
123.04421	2.7
123.11694	0.6
128.06183	0.7
129.06973	0.8
131.04890	0.3
133.02791	0.2
133.10063	0.5
134.03619	0.5
135.08136	0.3
137.02316	5.6
137.05931	0.4
141.06979	0.4
143.08527	0.4
145.02817	0.6
145.09988	0.2
146.03595	0.4
147.04398	1.1
149.02341	1.6
151.03896	0.3
151.07524	0.3
152.06206	0.5
153.01804	1.7
153.05450	0.5
153.06947	1.3
154.02454	0.3
156.05682	0.6
157.06444	0.9
159.11627	0.4
161.05975	1.6
161.13269	0.3
163.03912	0.7
164.04657	1.3
165.06949	0.4
166.07718	0.3
167.03380	0.4
167.08423	0.4
168.05769	0.3
169.06456	0.7
170.07246	0.4
171.08035	0.7
179.07016	0.5
180.05708	0.3
181.06436	2.7
182.16396	0.3
183.08055	0.4
184.05170	2.8
185.05797	0.4
187.03891	0.9
193.04942	0.8
193.06517	0.3
195.02852	1.1
195.05481	0.4
195.08078	0.7
197.05957	9.6
198.06711	2.0
199.07512	3.7
200.04645	0.6
201.05396	1.0
205.04964	0.3
205.20656	0.2
209.05904	1.4
210.06587	0.3
211.03893	0.9
211.07483	0.3
212.04646	9.4
213.05359	1.8
214.06235	0.3
215.03314	0.5
223.07535	1.1
224.04628	1.9
225.05444	7.8
226.06210	12.2
227.06952	5.0
228.04134	0.5
229.04955	0.8
231.02951	0.5
236.04707	0.3
237.05457	3.2
238.05927	0.4
239.03416	2.6
239.07062	0.6
240.04160	4.8
240.07700	0.6
241.04869	0.7
241.08284	0.3
243.06642	0.4
244.03572	0.4
252.04129	2.5
253.04948	4.4
254.05708	8.2
255.06479	17.1
255.10361	0.8
256.06839	0.9
257.04370	0.7
259.09573	0.3
265.04947	1.1
265.08371	0.3
268.03607	1.0
269.04388	0.8
269.08130	0.8
270.05478	0.3
271.05960	1.8
272.06516	0.5
279.07639	0.4
279.23160	0.6
281.04492	0.5
282.05206	9.3
283.02380	2.5
283.05969	9.5
283.09561	3.4
284.02914	0.4
284.06320	0.5
284.10254	0.4
285.03928	1.9
285.18408	0.3
286.04562	0.4
287.05408	0.5
297.08011	1.1
299.05649	1.3
299.11185	0.4
300.02896	0.4
300.06244	7.8
301.03394	1.3
301.06464	0.4
315.08575	100.0
316.05566	1.5
316.08942	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	315.0856
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
53.03944	0.3
55.01875	0.4
55.05507	0.2
57.03434	6.8
65.03940	0.4
68.99777	1.1
71.04972	0.3
71.07139	0.2
71.40991	0.1
81.03410	2.8
81.07056	0.2
83.01340	0.5
83.04961	0.3
85.02898	19.9
86.03241	0.3
91.05457	0.2
93.03358	0.2
95.04953	0.3
95.08663	0.2
95.21252	0.1
97.02871	1.0
99.04433	0.3
103.03961	0.2
105.07011	0.2
107.01294	0.8
107.04959	0.2
107.08599	0.1
109.02877	2.8
109.10172	0.1
111.00790	1.1
111.04417	0.2
119.04942	0.4
121.02856	1.8
121.06467	0.2
123.04398	0.3
125.02338	3.6
125.03253	0.2
127.03880	0.7
135.00777	0.3
135.11710	0.2
138.09229	0.2
139.03896	0.4
147.04410	0.9
149.02322	1.4
153.01819	2.3
165.01794	0.2
167.03383	1.2
171.02875	3.6
177.01823	2.0
194.04483	0.4
195.02876	100.0
196.03246	2.9
197.00819	0.3
208.05257	0.3
213.03925	3.7
221.04398	0.2
255.10248	0.2
269.08310	0.2
273.07535	0.9
283.09552	0.5
297.07941	0.1
297.17981	0.2
299.05508	0.3
315.08533	6.5
315.14136	0.2
316.08981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03939	1.0
55.01856	2.2
55.05492	1.8
57.03410	0.8
67.01861	1.3
67.05503	3.3
68.99786	6.6
69.03405	2.3
69.07050	1.7
71.04999	1.0
71.22616	1.6
72.08152	0.8
72.72908	0.7
79.05497	2.8
81.03416	1.6
81.07045	4.4
83.04966	1.1
84.40222	0.5
85.02893	2.6
85.06528	1.4
91.05462	4.1
91.89865	0.7
93.07029	3.4
95.04948	3.2
95.08599	3.6
97.02898	1.5
97.06529	0.9
97.10156	0.6
99.04446	0.9
103.05434	3.0
105.07037	3.6
107.04954	3.5
107.08565	2.8
109.02885	3.2
109.06525	1.4
109.10140	2.5
111.00781	3.1
111.04408	0.9
111.08035	0.7
115.05445	4.4
116.98643	0.7
117.03444	0.6
117.07001	2.4
119.04935	1.9
119.08569	1.8
121.02843	1.0
121.06499	4.1
121.10112	2.1
123.04421	43.7
123.08047	3.8
123.11712	0.8
125.09547	0.9
127.05420	2.1
130.36508	0.6
131.04910	10.8
131.08517	1.6
133.06477	1.9
133.10112	1.6
134.03636	0.8
135.04364	0.8
135.08003	1.8
135.11661	1.0
137.02313	0.7
137.05968	2.4
137.09558	0.6
139.03874	2.4
139.11209	0.8
142.07773	0.7
143.04910	1.3
143.08546	1.1
144.05687	3.4
145.06482	3.9
145.10083	2.0
146.03583	1.1
147.04382	3.7
147.08011	0.8
147.11676	1.3
149.02338	1.7
149.05983	10.8
149.13231	0.9
151.03825	1.0
151.07530	7.6
152.06194	1.7
153.01811	47.0
153.05420	1.0
154.02167	1.0
155.08548	1.4
157.06516	4.0
159.04449	1.3
159.08028	2.1
159.11685	1.1
160.05228	0.7
161.05980	8.7
161.09534	1.1
161.13301	0.8
163.03838	1.0
163.07553	1.8
165.05481	1.9
165.06979	2.6
166.07733	1.6
167.03412	1.8
167.08582	2.7
169.06441	1.8
171.02994	1.3
171.04364	8.5
171.08009	2.1
173.05981	0.9
173.09586	1.0
173.13266	1.1
177.05603	0.8
177.06978	2.6
177.09090	2.9
179.05440	1.2
179.07027	25.2
180.07242	1.1
181.04932	0.9
181.06493	2.5
183.08063	1.4
184.03603	1.3
185.05988	2.6
191.07021	0.9
193.04913	0.8
193.06479	0.8
194.07300	1.6
195.02899	8.0
195.08012	7.2
196.08565	0.7
197.05896	1.1
199.07520	4.2
201.05493	0.7
201.09061	1.1
205.04747	0.9
205.06490	2.5
205.08437	1.2
208.05171	3.4
209.05905	1.7
210.06734	0.8
211.07469	1.4
212.04672	1.3
213.05455	1.5
213.09142	2.0
216.04132	0.7
222.06683	1.2
223.07471	8.4
224.08224	1.0
225.05508	1.6
225.08965	0.7
226.06169	2.0
227.06992	3.6
233.05948	1.5
237.05447	2.3
237.09161	1.0
239.06956	1.0
240.04123	2.3
240.07849	1.7
241.04701	0.6
241.08536	5.6
243.06593	0.8
244.03790	3.3
244.07312	1.0
250.06252	0.9
251.06987	6.7
252.07901	0.8
253.05101	1.1
254.05757	6.0
254.08528	0.9
255.02911	2.3
255.06474	1.8
255.10056	4.6
257.04446	1.2
259.05991	1.8
261.22028	0.9
265.04892	0.8
265.08566	0.7
268.03607	0.8
268.07294	1.7
269.08047	21.7
270.08456	1.0
272.03296	0.8
272.06705	1.5
279.06467	7.6
280.07031	0.9
282.05206	8.1
283.02399	20.3
283.05884	1.9
283.09576	19.0
284.02649	1.5
284.10443	2.0
287.05435	2.4
287.08981	0.7
297.07550	100.0
298.07889	7.5
299.05508	1.5
299.10916	3.6
300.02618	3.2
300.06241	9.5
300.11728	1.4
301.06750	0.9
315.04941	17.8
315.08591	97.7
315.12289	14.9
315.23160	2.1
315.26532	1.9
316.05197	1.9
316.08936	7.5
316.12274	1.0
316.15460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.085
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
54.27786	0.0
55.01839	0.1
63.94162	0.1
67.05470	0.1
68.99761	0.1
69.03416	0.1
70.06570	0.1
72.08128	0.1
81.07024	0.1
83.04946	0.1
84.08117	0.1
85.06500	0.2
86.09673	0.2
89.03904	0.1
91.05452	0.2
92.59709	0.1
93.06984	0.1
95.04906	0.1
95.08586	0.1
97.02830	0.1
105.03381	0.5
105.07001	0.1
106.04192	0.1
107.04856	0.1
107.08561	0.1
109.02883	0.1
109.10107	0.1
117.03354	0.1
118.04141	0.1
119.08524	0.1
121.02848	0.1
121.06455	0.1
121.10081	0.1
123.04431	0.4
124.01556	0.1
131.04886	0.1
133.02826	0.5
134.03595	0.9
135.04346	0.1
137.02309	0.7
137.05962	0.4
138.03065	0.2
141.01805	0.1
141.06963	0.1
145.02806	0.1
147.04378	0.2
148.05176	1.4
149.02376	0.1
149.05928	0.1
150.03127	0.1
151.03862	0.1
152.06152	0.2
153.01801	1.3
153.06909	0.1
154.02521	0.1
155.04907	0.1
157.06474	0.1
161.05942	0.1
162.03043	0.2
163.03918	0.2
165.01859	0.1
166.02638	0.3
167.03387	1.6
169.06422	0.2
170.02051	0.1
170.07230	0.2
173.05920	0.2
178.02599	0.2
179.03336	0.1
180.05656	0.2
181.06429	0.2
182.07416	0.1
183.02867	0.3
184.03618	0.2
184.05162	0.4
185.05885	0.1
186.06641	0.1
187.03844	0.2
187.07484	0.3
188.04744	0.1
188.08311	0.1
189.01836	0.3
189.05533	0.1
190.02579	0.2
191.03346	0.1
192.03416	0.1
193.04884	0.1
194.03497	0.1
195.02863	0.1
196.05132	0.1
197.05920	0.6
198.06694	0.6
199.03903	0.1
199.07487	0.3
201.05479	0.6
204.00424	0.1
205.01219	0.3
208.05183	0.7
209.05804	0.2
211.03926	0.1
212.04631	0.2
213.03729	0.1
213.05481	0.6
214.06151	0.2
215.06950	0.6
216.04106	0.1
216.07693	0.2
224.04469	0.1
225.05472	1.3
226.06201	0.9
227.06981	0.6
228.04184	0.6
229.04926	6.5
230.05289	0.4
234.04541	0.1
236.04672	0.1
237.05405	0.2
239.03285	0.2
240.04225	0.8
241.04893	0.2
242.05705	0.1
243.06508	4.9
243.14961	0.2
244.03487	0.1
244.07256	1.4
245.07733	0.1
253.04941	2.1
254.05719	2.1
255.06482	1.3
255.09444	0.1
255.10316	0.1
256.07016	0.1
257.04425	6.4
258.04993	0.5
258.55740	0.1
259.09604	0.2
265.04999	0.3
267.06277	0.1
268.03613	0.9
269.04425	0.4
269.07916	0.4
270.05121	0.3
271.05984	2.8
272.06757	0.7
273.05942	0.1
281.04425	2.3
282.05179	3.0
283.05969	2.6
284.03333	0.1
284.06317	0.2
285.03906	4.3
286.04623	2.0
287.05356	0.1
287.09158	0.1
297.07498	0.3
299.05475	4.3
300.06241	40.1
301.06577	2.5
301.10059	0.1
315.08569	100.0
316.08932	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	314.1384
Annotation	Pessoine
Peak:m/z	Relative Intensity
53.38741	0.6
53.99544	0.5
58.06598	57.0
59.78212	0.6
70.06273	0.6
71.30209	0.6
71.62238	0.6
80.01535	0.7
80.09623	0.6
88.66775	0.6
95.04997	0.8
95.06103	0.9
105.07015	1.0
107.04951	23.7
110.07140	1.1
112.08801	0.8
115.05491	0.7
116.77095	0.6
121.06503	2.0
137.05956	4.1
137.62669	0.6
143.04964	2.4
145.06459	2.5
147.08069	1.6
151.07524	10.4
152.07048	2.1
162.05573	0.9
163.06303	0.8
163.07536	1.3
165.09093	1.2
175.07516	6.1
192.10211	1.4
209.09598	2.0
211.11162	1.1
237.09035	3.9
239.10739	1.5
268.13211	0.8
269.11722	9.4
270.07449	0.9
271.13287	4.0
283.08453	1.3
284.09094	1.9
285.10098	1.0
298.10715	36.8
299.11493	37.7
300.11816	1.2
314.13855	100.0
314.17526	81.2
315.14368	3.4
315.17615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	22.8
59.06104	9.5
61.80846	6.7
70.06577	6.7
70.79703	22.2
79.67422	6.0
79.73367	7.0
83.06084	7.8
85.07659	13.4
97.07667	11.5
107.04935	11.0
109.07626	11.1
110.07172	25.2
111.09186	9.8
112.08711	8.0
122.07185	10.9
123.08022	6.1
124.08705	7.6
134.07164	9.1
135.06664	7.4
136.08667	18.2
148.08684	6.8
151.07494	13.5
151.09683	7.7
163.09787	13.2
188.09328	6.6
229.12206	8.2
298.10727	71.8
299.11453	41.0
314.13858	100.0
314.17273	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	315.0494
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
60.04530	0.2
68.99483	0.2
68.99771	0.8
69.03407	0.2
70.23096	0.6
81.07049	0.2
91.05473	0.2
93.07068	0.2
95.08609	0.2
103.05459	0.2
105.07011	0.2
111.00864	0.2
114.86644	0.1
115.05400	0.3
115.85941	0.1
119.08572	0.3
123.04402	0.8
131.01257	1.5
131.04938	0.3
149.02289	0.4
149.05983	0.3
151.07510	0.2
153.01830	0.8
155.04915	0.6
159.11711	0.2
160.05194	0.4
161.05986	0.4
171.04385	0.5
175.03906	0.3
179.07028	0.3
183.04387	0.3
187.03879	0.3
188.04684	0.6
193.01305	0.4
193.04904	0.2
195.02898	0.5
195.08057	0.3
199.00310	0.2
199.03871	0.9
200.04617	0.3
202.02585	0.9
203.03346	0.5
203.07068	0.2
213.01678	0.2
215.03387	0.7
216.04160	2.4
220.03586	0.2
223.07500	0.4
226.02716	0.2
227.03343	1.7
228.04146	0.6
230.02116	0.3
239.03424	0.2
241.01279	0.4
243.02873	0.6
243.06447	0.2
244.03653	20.4
245.04048	0.4
247.02467	0.2
251.06973	0.1
255.02866	7.5
255.10226	0.4
256.03400	0.5
259.05969	3.5
271.02380	3.0
271.05542	0.3
272.03137	4.5
273.03738	0.2
283.02344	53.8
284.02893	2.0
287.05472	8.7
288.05814	0.2
295.64896	0.2
297.07336	0.3
299.11011	0.4
300.02625	18.5
301.02863	0.4
314.26080	0.2
315.04944	100.0
316.05304	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	314.138
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
53.03926	0.8
55.01858	2.1
55.05499	1.0
56.96560	3.9
57.03430	3.1
58.06593	2.5
59.04987	0.7
60.80576	0.6
61.02926	3.6
63.16689	0.6
68.05012	1.0
69.03432	6.2
69.60369	1.3
69.60777	3.8
70.06580	2.8
70.98169	0.5
71.04980	1.9
72.08152	3.2
72.93778	0.6
73.02902	3.0
74.02409	0.7
76.03991	0.8
76.07635	5.9
78.37778	0.5
81.03398	2.7
81.07027	0.9
82.06566	0.8
83.04977	0.6
83.35992	0.5
84.04497	1.4
84.08141	3.8
84.96007	0.7
85.02423	0.9
85.02900	11.3
86.06065	0.6
87.04470	1.2
88.04006	0.6
89.06021	2.2
90.05541	1.6
91.05476	1.3
93.07008	0.7
95.04986	1.1
96.04493	0.7
96.08122	0.9
97.02872	5.1
97.06507	0.7
98.97566	3.0
99.04442	1.1
99.57195	0.5
101.02349	0.6
103.03957	0.6
105.06998	1.1
107.04930	3.0
108.08099	0.9
109.02852	2.2
109.06542	0.7
110.07146	1.2
112.07606	0.9
112.99162	0.6
114.09163	1.7
116.07091	0.8
116.98612	2.6
117.05485	1.1
117.07011	0.6
119.01882	1.3
119.04967	0.7
121.06467	1.4
121.52862	0.6
124.03920	3.5
127.03924	3.3
128.07065	0.9
128.98569	1.2
131.01942	0.8
131.04892	0.8
132.08153	0.8
134.06015	1.1
134.99644	2.3
136.05150	1.3
136.06128	1.4
136.07581	1.3
137.05963	1.6
138.05504	9.1
140.07068	0.8
141.05469	0.8
145.04919	1.5
146.05997	0.7
146.99626	1.5
147.04395	2.0
151.06390	1.0
151.07541	9.2
152.07056	6.1
155.01816	0.7
158.99622	1.7
161.01210	0.8
161.02946	0.8
162.05515	1.1
164.07062	6.0
165.00671	0.9
165.09149	0.7
168.06639	1.1
170.02971	0.8
170.08133	0.7
172.99391	0.6
173.01163	0.7
173.02863	0.8
174.04054	1.1
175.02942	0.6
175.07481	0.9
176.07153	1.2
177.00630	1.4
182.08081	0.8
186.02312	0.7
189.00571	0.7
191.02223	0.7
194.54022	1.4
195.08038	1.1
197.03038	1.1
198.02455	1.0
198.98454	0.6
200.04088	0.8
201.00761	1.1
203.04172	0.7
209.55420	0.6
215.54523	2.0
223.07288	0.9
224.04076	1.0
224.55017	2.7
233.55589	1.6
237.02823	0.9
245.05095	0.7
248.99313	1.2
253.15656	0.7
255.10846	1.8
256.09650	1.3
267.00162	1.2
269.05524	0.7
270.07626	1.5
282.11172	1.0
283.08392	1.7
284.09183	1.5
285.09995	1.2
286.04001	4.5
296.12537	1.9
296.16376	0.7
298.10718	47.4
299.11499	27.7
314.13809	100.0
315.14154	2.5
315.19217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52708	0.6
55.05511	7.0
57.03436	16.6
57.07073	47.9
58.06585	3.1
67.05502	9.9
69.07059	10.2
69.64400	4.6
69.64819	1.6
71.08628	30.6
72.09332	0.7
73.74485	0.6
79.05482	0.8
81.07053	14.5
83.04964	0.8
83.08621	11.0
85.06524	1.0
85.10177	18.4
89.06003	2.2
91.05490	1.4
93.07025	1.6
95.08598	17.1
97.10161	5.3
98.24210	0.7
99.11713	1.7
103.07584	1.7
106.75146	0.8
107.04926	1.4
107.08563	0.7
109.10149	7.8
117.09110	1.0
119.08515	0.7
123.04375	0.8
123.11723	3.7
125.13231	0.8
137.13206	1.4
151.07506	3.2
151.14754	1.1
152.07100	0.8
192.68869	0.6
239.23749	3.5
257.24738	3.2
270.07800	0.8
271.07959	0.8
284.09372	1.0
291.70325	0.7
298.10757	16.4
298.27237	1.1
299.11487	10.1
313.07156	1.1
313.27350	100.0
314.13882	41.3
314.17429	5.5
314.27783	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26786	0.5
55.05507	7.7
57.03151	0.7
57.03435	16.5
57.07073	48.3
58.06598	3.0
58.07397	0.8
60.08875	0.4
64.26601	0.4
67.05167	0.7
67.05503	10.6
69.06714	0.7
69.07065	10.0
69.56620	0.8
69.57022	3.2
71.04971	0.8
71.08627	31.7
79.05473	1.3
81.07050	12.7
83.04955	0.8
83.08129	0.7
83.08615	9.3
85.06542	0.6
85.10177	17.6
89.06032	2.3
91.05470	1.2
93.07017	1.2
95.08600	17.9
97.10168	6.0
99.11731	1.1
101.06024	0.6
103.07568	2.1
105.07006	0.8
107.04943	1.6
107.08584	1.1
109.10144	9.5
111.11713	1.5
113.13250	0.6
117.09088	0.5
121.10092	0.8
123.04400	0.9
123.11683	3.6
125.13273	0.9
131.69740	0.5
135.11681	0.7
137.05869	0.5
137.13245	1.8
151.07487	2.4
151.14821	0.4
152.07076	0.7
165.16386	0.6
190.67387	0.5
218.75227	0.5
221.22676	0.5
235.30623	0.5
239.23669	4.0
253.10886	0.5
257.24692	3.6
275.25711	0.8
283.08234	0.9
285.10007	0.7
298.10715	13.7
298.27274	1.0
299.11459	6.1
313.07126	0.7
313.13153	2.2
313.27347	100.0
313.63174	0.5
314.13873	26.4
314.17438	2.7
314.28110	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02792	0.4
55.05507	5.7
57.03434	15.8
57.04204	0.4
57.07071	43.7
58.06595	4.6
60.09510	0.4
66.27676	0.4
67.05495	9.1
67.15833	0.4
69.07067	7.5
70.23897	2.0
71.04984	0.9
71.08625	31.3
75.04421	0.4
79.05478	0.5
81.07047	12.1
83.08135	0.7
83.08607	9.8
84.08980	0.4
85.06525	0.5
85.10173	16.6
89.06019	3.5
91.05450	0.5
93.07042	0.8
95.08599	17.2
96.08976	0.4
97.10158	4.1
99.11688	0.5
103.07558	1.9
107.04944	1.5
107.08572	0.5
109.10137	6.8
111.11719	1.4
111.83533	0.4
113.13266	0.8
115.05461	0.5
117.95294	0.4
121.10146	0.4
123.11671	3.8
127.14857	0.4
135.11629	0.4
137.05936	0.6
137.13252	1.1
145.12122	0.4
151.07545	1.9
151.14670	0.4
152.07039	0.9
165.16440	0.6
168.16240	0.4
197.57689	0.4
197.59737	0.4
239.23669	3.2
257.24747	4.0
269.11804	0.5
283.08221	0.4
298.10721	10.2
298.27405	0.7
299.11484	4.9
313.27332	100.0
314.13824	17.2
314.17471	4.5
314.27829	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	313.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87284	1.6
53.03939	3.4
55.01868	10.1
55.05507	21.6
57.03442	3.4
57.07080	5.5
58.06601	8.0
65.03947	2.9
67.05498	31.2
69.03434	3.3
69.07072	17.7
71.05000	7.6
71.08630	14.5
71.62414	3.7
71.70370	1.8
72.08160	3.0
79.05483	18.4
81.03428	4.1
81.07052	40.4
81.07505	2.4
83.04992	6.6
83.08602	12.1
84.08127	2.1
85.02933	2.0
85.06560	8.4
87.04468	9.2
91.05478	17.5
93.07037	24.6
93.07543	2.3
94.53582	1.8
95.04962	9.8
95.08605	24.1
97.02909	5.4
97.05999	2.5
97.06512	10.5
97.10178	5.1
99.04507	3.0
99.08102	10.2
103.05476	2.3
105.07034	18.3
107.04977	6.6
107.08585	17.8
109.02885	3.6
109.06542	5.4
109.10148	12.1
111.04438	2.5
111.08070	13.8
113.09647	4.6
117.07050	4.6
119.08585	17.7
121.06536	2.1
121.10135	13.1
123.04424	25.1
123.05166	2.0
123.08068	4.2
123.11729	5.6
125.09665	4.1
127.07611	2.2
129.07024	4.2
131.04959	3.4
131.08603	7.9
133.10126	13.4
134.03654	3.4
135.08127	2.6
135.11690	9.6
137.06009	6.1
137.09647	2.8
139.07454	2.1
139.11229	7.2
143.08632	4.6
145.10158	5.4
147.04460	4.9
147.11668	10.9
149.06018	3.5
149.09671	5.8
149.13263	13.5
151.03918	12.4
151.07585	10.7
151.11249	6.8
152.07130	3.9
153.12836	2.0
157.10127	2.2
159.11664	10.2
161.09581	2.0
161.13297	4.5
163.11223	4.5
165.07063	2.8
165.12805	7.0
167.08620	2.2
171.11734	4.1
173.06088	1.7
173.11855	2.4
173.13306	2.6
175.07689	1.8
175.11200	3.1
175.14879	2.4
177.09198	2.1
177.12837	4.4
179.03477	4.2
179.14412	7.9
181.06494	2.6
181.12361	2.3
183.11868	2.1
185.13239	3.4
195.08069	2.3
195.12051	2.3
195.13889	8.3
197.04575	2.4
213.05603	2.2
213.14836	2.9
225.09096	2.7
227.07205	2.1
231.21194	2.5
239.07062	2.8
241.05124	4.0
241.19577	3.9
242.05882	3.5
249.22141	2.9
253.08650	2.8
259.20584	5.1
267.06653	3.6
268.13776	2.5
270.05231	4.4
270.08829	3.5
277.18597	1.9
277.21603	45.7
278.21912	2.0
283.08591	2.7
284.06644	2.4
285.11166	3.0
295.06076	4.5
295.19238	6.9
295.22824	19.4
298.04883	22.2
298.10736	44.1
299.05121	3.0
299.11478	27.8
313.07196	79.1
313.10809	15.5
313.13647	6.4
313.17914	3.0
313.21884	3.9
313.25427	5.8
314.07553	8.1
314.13889	100.0
314.25812	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	313.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.6
55.05505	29.7
57.03431	7.2
57.07079	6.0
58.06593	5.2
65.67374	2.8
67.05501	53.4
69.07066	42.7
71.02348	6.2
71.02727	5.5
71.04993	4.8
72.08179	6.2
79.05493	22.9
81.07059	54.1
83.04974	8.0
83.08617	27.7
85.02905	3.3
85.06579	3.7
91.05476	21.1
93.07034	47.5
95.04961	10.6
95.08598	100.0
97.06534	13.1
97.10182	6.6
99.08076	8.6
105.07034	22.2
107.04936	3.6
107.08592	34.2
109.06513	7.1
109.10156	23.1
111.04484	3.3
111.08066	13.1
113.09650	35.1
113.36526	2.8
117.07037	4.1
119.08598	16.3
121.10152	18.0
123.04414	15.0
123.08099	6.0
123.11700	8.2
125.09624	7.8
129.07036	5.2
129.09116	10.8
131.08574	7.7
133.10110	13.9
135.11703	16.7
139.11185	6.5
142.20840	3.1
145.10068	5.6
147.11661	21.9
149.13242	11.7
151.07559	7.7
151.11172	4.9
151.70486	3.2
157.10118	5.4
159.11757	4.6
161.13269	7.7
163.14893	3.1
165.12791	7.0
171.11653	5.7
175.11192	3.5
175.14803	4.6
177.12892	3.6
179.14211	3.0
189.12798	5.6
195.13849	5.0
203.12759	3.4
221.15408	4.5
223.17043	3.7
225.14819	3.9
231.21136	3.3
239.11937	3.9
241.19385	4.7
243.72357	3.1
259.20569	8.8
277.21658	67.3
278.22049	3.7
295.22684	14.7
298.04703	3.3
298.10663	36.7
299.11453	21.1
313.07034	20.5
313.10666	10.6
313.28864	4.3
314.10464	5.9
314.13870	78.2
314.17496	5.4
314.25958	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	313.2372
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.03924	2.7
55.01872	3.1
55.05507	18.6
57.02857	1.7
57.03435	14.8
57.07065	3.7
58.06598	6.1
59.04988	2.4
62.69006	1.8
67.05500	59.5
68.05822	1.9
69.03420	4.3
69.06709	2.9
69.07062	32.5
71.04592	1.8
71.04990	32.3
71.08652	2.3
71.62270	2.5
72.08148	2.2
75.31280	1.5
79.05045	3.5
79.05489	44.6
81.07054	74.0
83.04967	4.6
83.08618	20.4
85.06529	9.1
91.05481	28.7
91.29978	1.9
93.07043	54.0
95.04956	7.3
95.08605	68.1
97.06535	14.3
97.10159	8.5
99.08086	5.7
100.71215	1.8
105.07030	17.4
107.04949	4.0
107.08589	45.9
109.02893	2.2
109.06517	7.3
109.10143	26.1
111.08068	8.7
113.09625	3.7
115.05343	1.9
115.07584	14.1
117.07011	7.9
119.04952	1.8
119.08592	17.0
121.06474	3.3
121.10139	37.6
123.04426	16.3
123.08064	6.8
123.11705	8.6
125.09619	5.4
127.07519	2.6
129.07004	3.3
131.08551	21.9
133.10112	14.7
135.08063	2.3
135.11703	28.4
137.05968	4.2
137.09581	2.4
137.13254	3.5
139.11203	3.9
143.08511	2.8
145.10080	13.5
147.04376	2.7
147.11661	16.7
149.06006	3.0
149.09592	3.7
149.13284	21.5
151.03842	2.4
151.07547	9.3
151.11174	5.4
152.07127	3.0
157.10062	2.1
159.11671	5.9
161.01311	2.5
161.13234	7.8
163.07483	2.9
163.11203	3.0
163.14828	8.6
165.12709	3.9
167.10660	2.6
171.11618	4.5
173.13231	32.6
175.14836	4.1
177.05495	2.7
177.12645	2.3
185.13303	4.0
187.14861	10.3
189.16377	7.1
191.14264	11.3
195.13823	2.9
199.14877	2.7
201.16417	2.5
205.15834	4.6
205.36049	1.9
207.17496	3.7
209.15347	17.7
213.16501	2.5
227.16386	3.8
231.20909	2.5
235.16959	4.5
241.19513	7.0
249.11932	1.8
259.20486	15.8
273.79669	2.0
277.21606	66.2
278.22089	3.4
284.09344	3.1
285.07751	3.4
285.10950	3.2
295.22614	8.4
298.04718	6.0
298.10696	45.0
299.11511	24.4
313.07520	18.5
313.10608	8.1
313.13345	8.6
313.21271	2.2
314.13849	100.0
314.25928	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	313.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05495	4.5
56.05018	2.1
56.96561	14.7
57.03426	2.5
57.07051	2.0
58.06608	5.9
61.02915	2.6
61.43292	0.9
67.05486	3.9
68.05029	1.5
69.03433	6.1
69.07064	1.9
70.06245	1.2
70.06590	15.4
70.80255	3.2
71.01374	1.1
71.04987	2.5
71.06953	1.2
71.07372	0.8
71.08617	1.0
72.08153	16.9
73.02910	2.6
79.05476	3.4
80.05014	1.1
81.03417	3.7
81.07050	2.8
82.06556	5.0
83.04963	2.3
83.07376	1.5
84.04507	2.8
84.08140	17.7
84.96025	1.5
85.02908	13.7
85.06550	1.0
86.06065	3.3
86.09718	4.9
87.04491	1.1
89.06039	1.1
89.10776	2.4
91.05473	4.5
91.07574	0.8
93.07020	3.3
94.06574	3.9
95.03553	0.9
95.04966	2.3
95.08608	2.6
96.04503	1.5
96.08141	7.5
97.02879	10.3
97.06538	1.9
98.06042	6.8
98.09680	9.8
98.97575	23.6
99.04453	1.5
100.07610	3.6
106.06502	1.3
107.04903	2.2
108.08115	7.4
109.02869	2.6
109.05200	1.4
109.06532	1.5
110.06038	3.3
110.07159	2.5
110.09672	9.7
111.04456	1.3
112.07604	3.8
114.05509	1.8
114.09148	4.6
115.03985	1.1
115.08717	1.1
116.98609	27.6
117.07022	1.2
119.01885	1.8
119.04944	3.7
119.08592	1.2
120.08099	2.8
121.06474	1.0
122.06022	7.1
123.04397	1.3
123.09192	3.8
124.03954	1.2
124.07585	7.2
124.11229	13.7
126.09161	4.1
127.03907	2.9
128.07059	2.9
128.10710	17.0
128.98621	1.8
130.08647	5.4
132.04460	2.9
132.10187	1.1
134.06068	2.1
134.09698	1.5
134.99652	24.4
135.06657	1.2
135.07904	0.9
136.06166	8.3
136.07582	6.8
137.05975	4.3
138.05502	3.9
138.09146	3.2
138.12791	2.6
141.10240	4.8
142.08597	3.0
142.12270	1.3
144.06516	1.1
145.04974	1.4
146.05968	1.5
146.08133	1.7
146.99655	3.4
147.04382	8.8
148.07550	7.9
150.05519	1.7
150.07761	5.9
150.09131	2.9
150.12790	2.0
151.03926	1.5
151.07385	3.3
151.08368	1.6
152.05927	1.0
152.07098	4.8
152.10683	1.9
152.14349	0.9
153.00731	5.2
153.10243	3.7
154.08649	6.6
154.12254	3.3
155.11731	0.8
158.01248	2.4
158.99663	1.5
160.07574	1.2
161.01260	2.5
162.09161	1.6
163.08636	1.1
164.07054	2.9
165.00777	1.3
166.08604	2.5
166.12318	1.9
169.14650	1.6
170.08101	1.1
170.99803	0.9
171.11368	1.4
172.06133	1.0
172.07521	1.4
176.02342	1.1
176.07040	1.0
177.00694	3.8
177.04236	1.1
178.08572	1.3
184.27751	1.0
189.00734	1.3
190.95396	1.5
191.11786	51.5
192.12160	2.3
193.00192	1.1
194.08281	1.1
194.11815	1.6
195.08105	1.3
195.14948	4.2
196.13248	1.5
197.01221	1.2
201.00838	1.3
203.11743	10.5
203.13441	1.2
205.00175	1.3
205.05528	1.3
210.07735	1.3
211.99791	1.5
213.04308	1.5
213.15952	3.3
217.05527	1.9
218.11835	1.8
219.01750	2.0
221.12852	9.9
222.14900	1.7
226.01543	5.0
228.08543	1.2
234.11230	1.3
235.02791	4.2
235.14445	1.5
236.11409	1.6
237.02806	2.9
237.12306	1.9
239.17519	11.1
241.03842	8.0
244.02565	1.8
244.04834	1.1
248.99179	1.6
251.07413	1.2
251.17613	1.6
253.03825	7.4
253.15494	1.4
255.13333	1.4
259.04886	3.7
265.03943	2.1
265.15457	33.7
266.15848	1.1
267.00098	2.0
267.17007	1.7
271.04953	3.3
271.12933	1.7
272.04474	1.5
277.15396	1.7
279.17075	1.9
283.04871	7.7
295.04675	1.5
295.16577	13.1
295.19925	2.5
296.07968	1.7
296.17447	1.3
297.09915	1.1
298.10690	16.2
299.11520	10.0
301.06061	1.4
305.11383	1.4
313.05969	12.9
313.13565	9.1
313.17612	100.0
313.21182	17.1
313.27426	2.3
313.60068	2.3
313.63403	1.6
314.06082	1.1
314.13968	35.4
314.17599	4.8
331.06894	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	313.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
54.71701	0.8
55.01862	1.9
55.05498	3.4
57.37792	0.8
58.06602	1.2
62.80413	0.7
65.03951	0.9
67.05503	1.6
69.03407	2.3
69.03756	0.7
69.07054	1.5
70.06241	0.8
70.06591	7.9
70.42633	3.1
71.04965	0.9
72.08151	77.1
73.08490	1.1
77.44373	0.7
79.05498	2.1
81.03413	24.9
81.07055	1.9
83.08601	0.8
84.08134	1.5
86.09701	1.4
89.10796	0.9
91.05470	2.0
93.07008	0.8
95.01330	3.2
95.04933	1.6
95.08607	1.1
97.02900	1.8
97.06538	1.7
97.07601	0.7
98.06029	2.1
105.03339	1.2
105.07008	1.1
107.04950	20.3
107.08598	1.0
109.02870	1.4
110.02387	0.9
111.04425	1.3
111.98817	0.7
114.10294	1.3
118.06551	1.7
119.04921	2.3
120.04449	0.8
121.02858	3.1
121.10123	0.9
123.04433	1.3
126.05506	8.4
128.06206	2.2
130.06499	1.4
131.04906	3.0
131.12886	0.8
132.04414	1.3
132.86494	0.7
133.06435	1.5
133.10066	1.0
136.03932	0.9
137.05959	1.5
138.05487	3.5
141.60005	1.0
143.08493	1.2
145.02808	1.3
145.06493	0.8
146.06003	2.8
147.04407	8.7
148.03801	0.9
148.04845	1.6
151.03876	5.8
151.04906	0.9
151.07520	1.9
152.07095	1.6
153.06989	1.8
155.08446	0.8
163.03955	1.3
165.07005	3.1
169.04985	1.0
169.06491	2.0
170.05965	1.1
171.08044	5.4
172.07585	1.2
174.05502	1.8
177.05461	2.5
179.03366	2.2
181.05034	1.2
181.06445	5.0
183.06743	1.9
183.08096	1.8
184.06010	2.2
184.07491	1.4
188.07048	4.0
196.07475	1.3
197.05968	9.8
198.06754	1.0
198.09108	4.2
199.07536	7.5
208.07558	1.8
209.05890	1.4
211.07576	1.2
212.06932	1.6
218.11708	2.2
224.06895	0.8
225.05473	3.1
225.07559	1.3
226.06253	4.8
226.08609	24.7
227.07008	3.1
242.08124	20.9
244.09651	1.7
254.08110	49.0
267.06519	1.5
268.13266	3.3
278.11621	1.0
284.06747	1.0
295.14410	1.3
296.12799	100.0
297.13062	2.6
298.10641	2.2
299.11423	0.9
303.67673	1.4
304.17114	1.2
313.07263	25.0
313.11493	11.3
313.15424	57.6
314.07297	1.9
314.13608	4.4
338.71539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0704
Annotation	(6aR,11aS)-(3,4:8,9)-Bis(methylenedioxy)pterocarpan
Peak:m/z	Relative Intensity
50.59956	0.2
53.03926	0.3
55.01838	0.4
55.05478	0.5
57.07043	0.4
58.06595	1.4
61.51515	0.2
65.03929	0.4
67.05509	1.3
68.67934	0.2
68.99765	0.3
69.03384	0.8
69.07060	1.0
71.04981	0.2
71.61880	0.3
72.08125	0.3
78.04697	1.0
79.05446	0.9
79.05849	0.2
81.03371	0.9
81.07046	2.6
83.08575	0.4
85.02868	0.3
85.06480	0.7
89.03890	0.4
91.05443	0.7
93.07024	1.6
95.04919	0.7
95.08591	1.9
97.02837	0.8
97.06480	0.4
97.10154	0.2
103.05444	0.3
105.03343	0.5
105.07024	1.3
106.04162	1.3
107.04902	0.8
107.08586	1.1
109.02861	0.6
109.06489	0.3
109.10168	1.3
111.04425	0.4
111.08115	0.3
117.03313	0.5
117.45149	0.2
119.04935	0.3
119.08549	0.7
121.02827	0.5
121.10135	1.0
123.04408	1.6
123.08003	0.5
123.11668	0.7
125.05933	0.2
125.09583	0.3
127.03879	0.3
131.04890	0.5
131.08426	0.2
133.02782	0.6
133.10062	0.6
134.03630	5.0
135.11662	0.5
137.02292	0.4
137.05939	0.5
141.01810	0.6
141.05417	0.2
143.08476	0.3
145.10086	0.5
147.04330	0.7
147.11613	0.7
149.02272	0.3
149.05946	0.5
149.13213	0.6
151.03894	4.8
151.04984	0.3
151.07495	1.0
157.06400	0.4
157.10104	0.5
159.04413	0.3
159.11636	0.5
161.05891	0.4
161.09656	0.4
161.13132	0.3
163.07359	0.3
165.01830	1.6
165.06955	0.3
167.03366	0.3
169.06470	0.5
171.11664	0.2
173.13318	0.3
175.14804	0.3
177.05515	0.4
177.16493	0.2
179.03304	0.7
181.04953	0.2
181.06430	0.4
183.02850	1.7
185.05716	0.4
185.07098	0.7
186.06696	0.6
187.14755	0.2
195.07880	0.3
195.11798	0.2
197.05957	0.6
209.05917	0.5
210.06784	0.3
211.14645	0.3
213.05421	1.6
214.06198	1.6
221.05821	0.2
223.07457	0.2
225.05453	0.5
225.09117	0.3
227.07062	0.3
228.04079	0.4
237.05341	0.4
238.06128	0.3
239.07042	0.3
241.04929	8.1
242.05659	2.7
243.06410	0.3
253.04922	0.9
253.08553	0.3
255.06447	0.4
267.06497	0.5
269.04474	1.5
270.05197	7.5
270.08310	0.4
271.05560	0.3
277.13849	0.2
277.21655	0.2
277.25317	0.3
281.04532	0.6
281.08112	0.8
283.05884	1.9
284.06448	0.5
295.05881	0.4
297.03885	1.6
297.09851	0.6
297.60266	0.4
298.04694	49.0
298.10455	1.6
299.04956	2.2
299.11496	0.7
305.11514	1.1
305.61792	0.7
313.07031	100.0
313.13025	3.3
313.63327	1.2
314.07388	4.3
314.13705	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0696
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
53.03936	0.1
55.01875	0.1
57.03430	0.1
65.03925	0.5
66.72884	0.0
67.01854	0.3
68.99774	0.6
69.03417	0.1
70.57114	0.1
72.08131	0.1
74.74714	0.0
80.02608	0.0
80.82309	0.0
81.03407	1.1
81.07044	0.1
83.01328	0.1
83.04975	0.1
85.02887	1.0
91.01725	0.0
91.05475	0.3
93.03394	0.5
95.01302	0.1
95.04946	0.2
97.02876	0.1
100.88786	0.0
105.03362	0.2
107.01313	0.2
107.04929	0.1
109.02863	0.9
110.03626	0.1
111.00789	0.1
111.04440	0.2
118.04156	0.1
119.04927	1.6
120.05717	0.2
120.08087	0.1
121.02848	6.1
122.03175	0.1
123.04407	0.1
124.01576	0.1
125.02374	0.3
127.03886	0.1
131.04947	0.1
133.02814	0.3
134.03654	0.1
135.00777	0.1
135.04445	0.1
137.02388	0.1
138.03065	0.5
139.03864	0.1
141.01796	0.1
141.06963	0.1
143.03329	0.1
145.02818	1.7
145.03979	0.1
145.06538	0.1
147.04381	0.2
149.02316	2.7
150.02756	0.1
151.03830	0.2
152.01114	0.1
153.01796	0.8
153.06976	0.1
155.08508	0.0
163.03870	0.7
165.01808	0.7
165.06978	0.2
166.02563	0.3
167.03377	5.6
168.03784	0.1
169.06453	0.1
170.02042	0.1
171.02832	0.3
173.05954	0.1
177.01804	1.7
181.06442	0.1
182.07268	0.1
183.02859	0.4
183.08037	0.2
184.03677	0.4
186.06848	0.1
187.03876	0.4
191.03316	0.1
193.06393	0.1
195.02866	3.2
197.05928	0.3
199.07552	0.1
200.08359	0.1
202.06230	0.2
210.06551	0.2
211.07484	0.5
213.03864	0.1
213.05550	0.3
215.07106	0.3
221.05896	0.1
225.05438	0.1
227.07036	0.6
227.59396	0.0
228.07784	0.5
229.04916	1.5
238.06273	0.2
239.06990	1.7
241.04915	0.2
241.08588	0.2
242.05682	0.9
243.06435	0.5
247.06073	0.2
253.04938	0.1
255.06480	2.3
256.07245	3.1
257.07828	0.2
265.04810	0.1
266.05664	0.2
267.06479	9.7
268.06918	0.4
269.04407	0.5
269.07639	0.1
270.05185	3.6
271.05820	0.2
283.05966	8.7
284.06738	16.8
285.07419	1.7
289.07236	0.1
295.05963	6.5
296.06293	0.2
298.04449	0.2
313.06995	100.0
314.07352	3.1
316.05682	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	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01655	0.9
53.03940	1.7
55.01873	1.4
56.29519	0.9
57.03430	4.2
61.02921	9.1
62.21881	0.9
69.03423	15.6
69.07064	10.6
70.06586	2.6
71.04977	2.7
71.27985	2.1
72.08157	6.2
73.02910	3.7
81.03419	7.7
84.08146	2.1
85.02898	100.0
86.09716	1.4
87.04471	2.0
87.08102	20.8
91.03942	8.6
91.05479	1.2
97.02888	21.1
99.04447	3.0
105.09118	1.2
109.02883	7.5
127.03903	25.7
127.04790	1.7
128.94109	1.0
133.08575	6.4
145.04950	47.9
147.04384	5.7
149.05963	1.3
151.03983	2.4
151.09666	1.2
162.05563	1.8
163.06006	16.7
165.64888	2.1
168.06639	1.0
177.05473	1.4
180.33046	0.9
193.35449	1.1
204.10188	3.8
207.06523	1.2
220.10667	1.3
235.92401	1.0
244.18399	1.2
250.10767	7.5
312.18515	1.5
312.24301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0696
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.10277	0.1
53.03942	0.2
55.01857	0.2
55.05488	0.1
57.03419	0.2
57.55140	0.1
58.06582	0.2
65.03923	0.6
67.01853	0.2
68.99770	0.5
69.43208	0.2
69.43613	0.5
71.04955	0.1
72.08126	0.2
79.05434	0.1
79.20335	0.1
81.03413	1.2
81.07032	0.1
83.04973	0.1
85.02898	0.8
90.00890	0.1
91.05455	0.3
91.85742	0.1
93.03397	0.5
93.07030	0.1
95.04957	0.3
95.08554	0.1
97.02911	0.1
97.67553	0.1
99.04459	0.1
105.03354	0.2
107.01287	0.2
107.04955	0.1
109.02859	0.8
109.10087	0.1
111.00803	0.1
111.04420	0.3
111.78553	0.1
115.02147	0.1
118.04169	0.1
119.04932	1.5
120.08051	0.1
121.02853	5.1
122.03162	0.1
123.04402	0.1
124.01579	0.1
125.02335	0.2
127.03923	0.2
131.04890	0.2
133.02847	0.4
135.00789	0.1
138.03116	0.4
139.03873	0.1
141.01750	0.1
145.02824	1.8
147.04398	0.3
147.44104	0.1
149.02322	2.2
150.02731	0.1
151.03889	0.5
153.01845	0.5
163.03864	0.7
165.01828	0.6
165.07002	0.2
166.02551	0.3
167.03384	6.0
169.04973	0.1
169.06451	0.1
170.02126	0.1
171.02835	0.2
177.01823	1.4
177.21635	0.1
181.06392	0.1
183.02850	0.3
183.08029	0.3
184.03697	0.4
187.03873	0.2
193.06395	0.1
195.02879	3.7
197.05936	0.1
199.07573	0.2
201.05545	0.1
202.06235	0.2
211.07529	0.6
213.05461	0.3
215.07045	0.3
221.05894	0.1
223.07533	0.1
225.05481	0.1
227.07135	0.4
228.07729	0.3
229.04927	1.6
230.94981	0.1
238.06303	0.1
239.07018	1.7
240.07613	0.1
241.04955	0.2
241.08623	0.1
242.05705	1.0
243.06392	0.2
247.05980	0.2
253.04904	0.2
255.06480	1.4
256.07248	2.1
257.07901	0.2
266.05817	0.2
267.06497	10.4
268.06882	0.5
269.04514	0.5
269.07108	0.1
269.08286	0.1
270.05200	3.4
271.05762	0.1
283.05978	8.3
284.06754	14.7
285.07410	1.8
295.05972	6.7
296.06232	0.4
298.04633	0.3
298.10620	0.2
305.11398	0.1
313.07010	100.0
314.07370	4.8
314.13660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03935	1.0
55.01847	1.4
55.05508	36.9
56.96527	0.5
57.03433	15.6
57.07072	21.0
58.06581	0.8
58.62838	0.4
67.05503	6.5
69.07063	42.8
70.88747	1.4
71.04971	0.8
71.08627	12.4
73.02923	0.9
74.39854	0.5
79.05486	4.0
81.07048	7.7
83.04971	1.0
83.08613	39.1
84.08929	0.5
85.10169	6.0
91.05503	1.1
93.07053	4.9
95.08591	6.9
97.06535	3.7
97.10163	26.0
107.06065	0.5
107.08590	3.4
109.10143	2.9
111.04413	1.0
111.08057	1.7
111.11720	8.2
115.07558	0.5
121.10129	5.4
122.36947	0.5
123.11686	1.5
125.09598	1.7
125.13257	2.0
135.04378	0.7
135.11671	4.4
137.13226	0.9
139.11183	1.2
139.14799	0.8
149.13254	2.1
153.12744	1.0
163.14777	1.4
167.14322	0.5
209.11690	2.4
219.21092	1.7
237.11247	2.7
237.22055	0.7
251.09430	0.6
252.10246	1.1
254.08093	0.8
255.12268	1.0
280.09729	0.6
281.10413	0.6
282.07654	1.7
294.11505	0.5
297.09888	1.8
306.26086	0.5
311.05634	0.8
311.25793	100.0
312.12329	8.1
312.15784	0.9
312.26123	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	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.05268	2.2
55.05510	36.5
57.03434	16.2
57.06816	1.9
57.07072	23.1
61.35027	1.4
67.05484	6.3
69.07067	42.8
69.98042	6.1
69.98458	2.7
71.08627	13.8
76.74626	1.5
79.05482	6.5
81.07081	8.5
83.08614	39.1
85.10144	5.2
93.07016	6.6
95.08594	8.5
97.06514	4.1
97.10166	28.1
98.20790	1.9
103.05454	1.4
107.08595	5.3
109.10177	3.6
111.04449	3.1
111.08076	1.6
111.11720	9.4
121.10136	4.4
123.11688	2.4
135.04405	6.9
135.11664	4.8
149.13235	1.8
153.05421	1.8
161.09613	7.7
182.41156	1.5
209.11745	6.1
237.11243	6.2
255.12329	2.1
297.10040	2.7
311.16171	7.8
311.25784	100.0
312.12210	8.5
312.26144	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	312.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47905	0.2
56.96555	0.9
57.03429	0.5
58.00714	0.2
61.02906	0.5
69.03404	0.8
70.06601	0.5
71.60735	0.4
71.61108	0.2
72.08147	0.7
73.02897	0.2
80.18540	0.2
81.03400	0.3
84.08144	0.4
85.02899	1.4
87.04442	0.2
96.08125	0.2
97.02866	0.5
98.97572	0.8
108.05586	0.5
116.98590	0.6
118.59161	0.2
127.03913	0.5
133.05083	4.8
134.99702	0.3
147.04456	0.5
150.07744	100.0
151.08080	0.7
206.95490	0.2
208.75294	0.2
209.12849	0.2
270.06177	0.3
294.15137	0.3
295.16376	0.2
312.06931	0.6
312.13004	18.0
312.16080	1.1
313.13269	0.7
313.17538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2577
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03931	0.8
55.01858	1.2
55.05508	33.2
56.05817	0.4
56.96544	1.1
57.03436	14.5
57.07073	17.9
59.04985	0.4
67.05500	6.1
69.07063	40.5
70.07396	0.5
70.79583	1.1
71.04966	0.4
71.08628	10.8
73.02891	0.7
73.06541	0.6
75.04459	0.4
77.29366	0.4
79.05495	3.8
81.07051	8.7
83.04951	1.1
83.08613	35.2
84.08939	0.4
85.10181	4.2
91.05461	0.7
93.07046	4.2
95.04973	0.6
95.08038	0.6
95.08604	6.3
97.06527	3.5
97.10164	24.2
98.82462	0.4
99.08080	0.4
105.07027	0.9
107.08579	3.1
109.10141	2.6
111.04402	0.5
111.08053	1.9
111.11702	7.1
121.10148	4.7
123.11710	1.7
125.09605	1.6
125.13290	2.0
125.31002	0.4
135.04439	0.6
135.11679	3.8
137.13290	0.7
139.11153	1.3
149.13243	2.0
163.14803	1.0
167.14323	0.5
177.16380	0.5
181.15860	0.5
209.11693	2.4
219.21130	1.5
231.15807	0.5
237.11172	2.4
237.22208	1.4
240.16328	0.7
252.10208	0.5
255.12444	0.8
282.07657	1.0
283.05661	0.5
284.12842	0.6
294.11313	0.5
297.09949	1.1
311.05505	0.8
311.25781	100.0
312.12216	4.4
312.26154	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	311.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01853	1.7
55.05507	44.3
56.05830	0.6
57.03434	17.9
57.07072	21.8
59.04996	0.5
62.06066	1.9
67.05495	7.1
69.07063	48.8
70.07397	1.1
70.69039	1.2
70.69407	1.1
71.08630	11.5
73.02898	1.5
75.74410	0.5
79.05486	4.2
81.07053	8.4
83.04977	1.1
83.08611	42.9
84.08959	0.7
85.06519	0.8
85.10183	4.7
88.29366	0.5
91.05460	0.7
93.07041	5.0
95.08598	6.0
97.06524	3.7
97.10164	27.0
107.08587	4.2
109.10148	2.0
111.08055	1.8
111.11708	9.0
115.07610	0.7
121.10134	6.0
123.11694	1.2
125.09600	1.1
125.13228	1.3
135.11685	3.6
137.13248	0.7
139.11156	1.1
149.13246	2.1
163.14793	1.4
167.14253	0.7
219.21083	1.6
300.34521	0.6
311.25778	100.0
312.26169	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	311.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83423	0.4
53.03924	1.2
55.01870	0.9
55.05506	36.6
57.03433	16.1
57.07071	20.3
57.81282	0.4
67.05495	5.4
69.07063	43.3
69.56699	3.3
69.57105	0.9
71.08627	11.3
73.02905	0.9
74.91283	0.4
79.05492	4.0
81.07046	7.6
83.04969	0.9
83.08611	38.7
83.87843	0.4
84.08929	0.7
85.06526	0.5
85.10166	5.2
93.07043	4.9
95.08591	4.8
97.06533	3.5
97.10164	28.0
98.10449	0.4
98.21484	0.8
99.08094	0.7
101.06012	0.7
107.08595	3.4
109.10164	2.3
111.08068	1.5
111.11717	7.9
121.10137	5.6
123.11684	0.8
125.09599	1.4
125.13250	1.9
129.05377	0.5
135.11691	4.0
139.11189	1.2
139.59462	0.4
149.13243	1.7
153.12724	0.9
163.14786	1.2
165.23045	0.4
167.14322	0.6
177.16457	0.6
178.27245	0.4
209.11685	1.3
219.21083	1.5
237.11249	0.9
237.22015	1.0
260.65796	0.4
273.68192	0.4
311.25778	100.0
312.12244	1.0
312.26065	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.80145	3.3
55.01859	14.4
55.05259	4.2
55.05502	51.3
56.33941	3.3
56.96570	4.5
57.03424	16.8
57.07069	30.7
57.07617	3.1
67.05167	4.7
67.05499	62.7
68.25657	3.7
68.99788	3.1
69.03405	3.7
69.07067	54.3
70.02461	3.7
71.04984	7.5
71.08630	6.7
71.15833	7.8
78.15563	3.0
79.05494	30.9
79.23600	3.2
81.03399	10.5
81.07048	63.8
83.04959	12.7
83.08613	48.5
84.10642	3.4
85.06521	9.2
85.10139	8.6
91.05478	27.3
93.07027	37.7
95.04939	16.1
95.08604	56.2
97.06506	13.3
97.10162	22.4
105.07027	26.1
107.04948	7.3
107.08592	34.7
109.02876	6.9
109.06501	7.9
109.10143	45.8
111.04429	12.5
111.08063	7.1
111.11708	4.0
113.09623	3.5
113.16062	3.2
119.08559	14.3
121.06489	6.1
121.10122	27.9
123.04375	5.2
123.08067	7.1
123.11697	15.6
125.05949	7.2
125.09590	10.2
131.08534	11.5
133.10101	38.3
135.04410	100.0
135.07971	4.1
135.11681	22.5
137.09618	7.6
137.13206	5.0
141.09097	3.1
145.10106	15.3
147.11678	9.0
149.09604	7.7
149.13261	8.5
149.38623	3.5
151.11188	26.5
153.05446	5.6
153.12712	6.2
157.10152	4.9
159.11649	9.0
161.09639	42.2
161.13252	4.1
163.11194	9.0
165.09109	6.3
169.12213	8.7
173.09613	3.9
173.13284	4.7
177.01692	4.1
177.12703	6.6
181.12239	8.9
191.10715	7.4
195.02829	12.6
209.11700	44.2
219.13745	3.9
219.21178	7.5
229.19659	4.0
237.11195	38.1
237.22029	4.5
247.20592	10.9
252.10103	5.5
254.08136	4.2
255.12331	9.0
257.18951	6.9
265.21628	4.9
275.20035	54.0
279.09045	4.6
280.09457	5.6
281.10992	3.7
282.07489	6.4
283.06039	5.0
284.12747	4.6
293.17731	5.0
293.21115	60.9
294.11407	5.2
296.09235	5.4
297.09909	12.2
309.89670	3.4
311.05490	59.1
311.11234	6.1
311.21191	49.9
311.25742	79.0
312.05679	10.0
312.12238	54.7
312.15778	6.4
312.21432	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.95953	1.7
51.60620	1.7
53.03933	3.1
55.01856	6.9
55.05505	10.7
56.57423	1.8
56.96545	4.3
57.03427	5.4
57.07074	14.0
65.03926	1.8
67.05499	49.4
69.07065	15.7
71.04990	3.8
71.64207	3.6
79.05116	2.4
79.05491	25.0
81.03391	6.6
81.07052	44.7
83.04970	7.5
83.08596	6.6
85.06505	3.7
85.10165	3.0
91.05484	21.2
93.07037	34.1
95.04961	6.7
95.08598	100.0
97.06504	10.5
97.10144	5.0
105.07025	17.3
107.08578	28.7
109.02841	3.5
109.06544	2.3
109.10144	17.8
111.04431	6.8
111.08061	4.8
113.09580	5.9
117.06971	4.6
119.08552	15.2
121.06498	3.7
121.10132	22.9
123.08048	5.2
123.11659	4.3
125.05964	2.4
125.09623	4.8
131.08589	11.4
133.10121	11.7
135.11667	15.6
137.05980	2.7
141.09103	5.3
143.08560	2.8
145.10139	10.7
147.11670	3.4
149.13290	3.3
153.05376	4.7
153.12701	2.2
159.10159	41.4
159.11642	6.7
161.05968	3.5
163.11131	2.9
165.12746	4.8
173.13243	5.4
175.07480	2.5
181.12209	3.6
185.57027	2.0
191.10661	2.3
191.17938	3.5
195.02948	3.1
195.13718	2.7
201.16376	19.3
209.11684	28.0
219.17439	26.3
232.73318	2.0
237.11153	28.0
247.20645	3.2
255.12279	7.8
257.45154	2.1
265.21609	76.3
275.20169	2.9
283.05896	3.5
293.04523	5.7
293.17767	3.9
293.21078	12.7
297.09906	5.7
311.05447	32.4
311.08890	4.7
311.12845	2.4
311.22137	13.5
312.12277	15.3
323.74133	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	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03938	3.3
55.01852	2.3
55.05502	20.4
57.03432	62.5
57.07072	10.2
57.89038	1.6
58.06574	1.9
65.07027	1.7
67.05499	68.4
69.03429	6.4
69.06723	2.1
69.07063	18.0
69.97466	7.9
69.97887	2.8
71.04978	6.9
75.04475	4.1
79.05484	39.7
80.43276	1.7
81.07049	98.9
83.04955	7.5
83.08605	11.7
85.06537	17.1
87.04454	10.4
90.61805	1.8
91.05470	22.5
93.07034	52.4
95.04955	6.1
95.08600	100.0
95.99509	1.6
97.06529	11.8
97.10160	9.2
99.08096	6.7
101.06007	6.2
105.07030	16.5
105.31842	1.8
107.04952	4.3
107.08591	34.7
109.02873	1.9
109.10142	53.6
111.04432	4.9
111.08073	8.1
111.11716	2.9
113.05968	2.1
113.09629	2.9
115.03906	6.7
115.07553	1.8
117.07021	4.8
119.08575	19.6
121.09292	3.4
121.10136	43.4
123.04452	2.4
123.08029	2.2
123.11672	13.3
125.05922	1.7
125.09635	8.1
127.33647	1.8
129.05489	3.3
131.08582	10.5
133.10120	27.1
135.11679	34.5
137.05951	2.2
137.09602	7.5
137.13293	2.1
139.11208	4.1
145.10132	12.0
147.08058	2.1
147.11685	13.9
149.13234	27.6
151.07500	2.4
151.11176	7.1
153.05420	5.7
153.12732	2.6
155.10605	2.7
159.11623	12.9
161.13231	5.2
163.14803	9.2
169.12228	7.5
173.11852	2.8
173.13245	12.5
175.14838	19.6
181.12288	2.5
183.10239	1.7
183.70613	2.0
187.14835	5.8
189.16359	4.5
191.10637	3.6
191.17953	8.0
193.04991	1.9
193.15884	3.3
195.02840	3.0
197.11693	3.7
201.16351	4.4
203.14230	2.6
209.11690	22.3
209.19106	1.8
211.13300	2.6
222.74521	1.6
229.19472	20.3
237.11162	24.1
237.14835	2.9
239.16344	15.7
247.20595	12.5
251.16351	1.9
252.10077	3.0
253.17970	5.1
255.12195	6.3
265.21613	32.3
282.07520	3.0
283.06033	3.8
284.12637	2.0
293.17792	3.6
293.21103	53.3
294.21439	3.6
311.05548	14.3
311.13086	2.2
311.18658	2.1
311.21951	21.4
312.05746	2.9
312.12222	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.70764	0.6
53.86838	0.6
55.01796	1.4
55.02022	0.8
55.05406	7.6
55.05704	2.0
55.37501	0.5
56.96477	0.8
57.03345	0.8
57.06973	2.6
58.06527	0.9
63.72464	0.6
67.05395	5.3
67.05780	1.4
69.03345	1.3
69.06957	4.4
69.07358	0.9
69.99076	1.4
69.99494	2.6
71.04890	0.8
71.08516	7.1
71.08936	1.1
73.76156	0.6
79.05376	4.5
81.03298	2.1
81.06936	6.2
83.04861	2.0
83.08494	4.4
91.05344	2.8
93.06918	4.4
93.25106	0.6
95.04842	2.8
95.08475	3.6
97.06458	0.6
97.10039	8.9
99.08069	3.8
105.06888	2.1
107.04816	2.3
107.08587	4.6
109.02746	2.7
109.06449	1.2
109.10010	2.3
111.04303	2.4
117.06937	0.7
119.08465	1.7
121.06484	4.0
121.10030	1.5
123.07920	0.8
125.05910	1.0
125.09638	5.1
127.26929	0.6
129.06795	0.6
131.08466	1.2
133.10005	1.5
135.04318	0.8
135.07957	1.5
135.08861	0.6
135.11597	1.1
137.02289	0.8
141.12614	0.7
143.08453	0.9
145.09947	1.7
147.11613	0.8
151.11044	1.5
153.05348	2.1
159.11618	1.4
163.11140	0.8
165.12668	1.0
167.10458	0.7
175.14824	0.7
177.01791	1.7
177.12636	2.5
181.12141	1.3
189.11186	3.7
191.10583	1.6
195.02832	3.9
209.11723	13.5
210.11844	0.8
220.20683	0.6
227.06905	0.9
237.11217	11.4
238.11664	0.7
246.11890	0.6
247.20691	0.7
248.07124	0.6
252.10252	1.3
254.08096	0.8
255.12177	2.7
257.18991	0.9
275.20041	6.6
281.10214	0.8
282.07574	2.4
283.06339	0.8
284.12778	0.9
293.21094	100.0
294.21466	5.1
297.06662	0.8
297.10004	2.5
311.05499	21.2
311.08734	0.8
311.18323	1.2
311.23694	2.3
312.05945	2.3
312.12311	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	311.2212
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
51.24959	1.0
53.03930	1.8
55.01871	3.0
55.05509	7.7
57.03428	3.8
57.07073	8.7
58.06596	3.2
59.05018	1.0
65.03950	1.1
67.05502	62.4
69.03449	1.8
69.07062	11.7
70.14400	4.0
71.04986	3.5
71.08629	6.2
79.05492	15.9
81.03400	1.3
81.07053	30.0
83.04977	3.2
83.08621	4.5
85.06519	6.6
86.09681	1.9
87.04442	1.1
91.05463	9.4
93.07043	20.3
95.04974	1.8
95.08602	100.0
96.08970	1.5
97.06529	7.0
97.10186	2.7
99.08092	10.0
100.03854	1.0
101.06007	1.1
104.10732	1.6
105.07034	6.2
107.04942	1.2
107.08589	14.6
109.02852	2.4
109.06542	1.8
109.10147	40.4
111.04440	2.8
111.08082	2.1
113.09605	1.1
117.07015	2.7
119.08590	3.9
121.10134	11.7
123.08047	5.7
123.11721	5.3
125.05954	1.6
125.09615	1.7
131.08554	4.2
133.10124	5.2
135.04427	1.2
135.11678	9.6
141.09105	5.4
145.10139	2.8
145.33775	1.4
147.11710	2.5
149.13280	7.2
149.54805	2.0
151.11192	1.4
153.05467	2.5
155.08424	1.2
158.55420	2.9
159.10161	54.1
159.11609	3.3
161.05721	0.9
161.13216	1.6
163.14883	4.9
167.14195	1.0
171.10184	2.2
173.11809	1.2
173.13277	3.8
181.12207	1.2
181.15955	2.0
187.14836	1.5
191.10635	1.3
195.02988	1.6
195.17592	1.1
201.16385	1.0
209.11716	12.6
229.19447	2.2
237.11214	11.2
240.09975	1.3
247.20567	4.1
252.10208	1.9
254.08218	1.3
255.12335	2.6
265.21606	23.4
270.65106	2.0
275.19946	1.5
282.07599	2.4
283.06021	1.1
291.69760	1.1
293.21060	20.9
294.21490	1.3
297.09912	3.0
301.20108	1.6
311.05518	15.1
311.22061	13.6
312.05832	1.2
312.12189	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	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03944	1.4
55.01852	1.7
55.05505	7.9
56.96550	1.0
57.03436	1.6
57.07069	6.0
58.06576	1.0
67.05503	8.5
67.70721	0.8
69.03411	1.4
69.07073	5.3
71.01339	0.9
71.04994	1.3
71.08629	8.5
72.68613	1.0
74.86357	0.8
76.98938	0.8
79.05489	5.6
81.03407	1.4
81.07063	8.0
83.04984	1.6
83.08607	3.5
84.34943	0.7
84.77548	0.8
91.05469	4.4
93.07044	5.8
95.04940	3.3
95.08612	8.1
97.06535	1.8
97.10172	4.9
99.08106	4.1
105.07029	4.7
107.04942	2.9
107.08606	5.1
109.02872	2.0
109.06499	2.5
109.10138	3.1
111.04424	3.4
111.08062	1.8
117.07028	1.1
119.08578	2.4
121.06490	3.1
121.10124	2.9
123.08049	1.7
123.11737	0.9
125.05962	1.9
125.09595	2.9
131.08565	3.0
133.10115	2.4
135.04395	1.4
135.08028	1.3
135.11696	1.6
137.02409	0.8
141.09093	0.8
145.10115	3.4
147.11668	2.0
151.11128	0.8
153.05469	2.6
159.10104	0.9
161.13254	0.9
165.12703	4.1
173.13193	0.7
177.12712	2.5
181.04947	1.4
186.01402	0.8
189.11218	1.3
191.10649	2.1
195.02827	2.7
209.11714	16.5
237.11195	13.0
238.11397	1.0
252.10165	1.9
254.08075	1.0
255.12277	3.5
257.19089	1.1
265.21658	2.6
275.19983	6.3
281.10446	1.1
282.07635	2.4
283.05908	1.0
293.21088	100.0
294.10977	1.4
294.21344	3.5
297.09924	2.4
311.05475	18.4
312.05615	2.0
312.12317	11.8
312.15787	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	311.2212
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.56282	2.4
55.01866	12.1
55.05515	19.8
57.03428	8.7
57.07072	31.0
58.06596	3.4
67.05500	37.6
69.03427	4.0
69.06753	3.2
69.07069	27.7
69.87600	10.4
69.88020	4.9
70.06574	3.9
71.04982	10.7
71.08600	3.0
79.05489	29.2
81.03409	5.3
81.07052	39.2
83.04981	13.9
83.08612	9.4
85.02927	3.0
85.06535	6.3
85.50117	2.2
91.05482	21.4
93.07038	31.5
95.04967	8.1
95.08598	38.6
97.06508	10.8
97.10163	5.3
99.08085	5.5
105.07031	23.2
107.04925	9.5
107.08581	30.0
109.02863	3.7
109.06500	6.4
109.10142	23.6
110.03673	3.3
111.04436	17.3
111.08080	9.9
112.29652	2.2
114.19662	2.7
117.07014	10.5
119.05013	4.0
119.08573	26.4
121.02819	2.9
121.06526	3.3
121.10141	24.0
123.04398	8.3
123.08070	7.4
123.11707	6.1
125.05992	7.5
125.09624	7.9
127.07549	2.8
129.07040	3.6
131.08577	12.6
133.10150	21.0
135.08029	3.5
135.11664	11.6
137.05911	2.9
137.09624	6.2
139.11177	9.9
143.08499	5.4
145.10094	13.0
147.08069	3.5
147.11717	12.5
149.02309	2.7
149.05917	3.1
149.09624	8.4
149.13290	3.2
153.05511	15.4
157.10110	4.1
159.11705	12.0
161.13313	5.7
163.11150	13.2
167.10727	2.8
169.35306	2.5
171.11699	5.2
173.13272	6.5
175.07545	2.6
175.11192	3.6
177.01733	2.6
181.04970	5.0
181.12236	12.3
183.11765	3.1
185.13268	3.4
191.10663	7.2
193.04944	14.5
195.02722	3.0
195.13670	2.5
199.14850	3.2
200.20300	3.0
203.12778	7.5
205.15555	2.7
209.00752	5.3
209.11708	100.0
209.13615	5.9
219.17348	3.0
223.16991	3.2
237.11201	79.2
238.11517	3.9
239.17920	4.3
252.10149	3.8
255.06540	3.4
255.12306	22.9
257.19052	10.5
265.21555	3.7
275.20035	67.1
283.05917	11.2
293.17450	10.6
293.21094	23.0
294.11185	3.2
297.09918	5.4
309.03900	22.3
310.04272	3.4
311.05484	79.5
311.08704	2.6
311.12799	5.3
311.18311	4.4
311.21384	5.3
311.24426	30.9
311.74799	10.8
312.05829	6.5
312.12274	22.1
327.04907	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	311.2214
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03926	2.0
54.61137	1.4
55.01863	5.7
55.05508	7.5
56.96556	1.4
57.03416	1.6
57.07071	37.2
67.05501	16.8
69.07058	7.3
70.06593	2.9
71.04976	4.0
71.08624	2.4
71.62186	2.0
79.05492	9.3
81.03402	3.4
81.07055	15.9
83.04986	9.4
83.08614	2.5
88.07600	2.0
91.05475	14.0
93.07040	13.5
95.04955	3.1
95.08596	14.4
97.06514	4.8
105.07016	10.9
107.04962	7.1
107.08595	8.0
109.02865	4.0
109.06493	4.8
109.10146	10.3
111.04440	17.1
111.08086	2.8
117.07001	2.8
119.08567	7.1
121.06489	2.5
121.10163	8.4
123.08076	2.8
125.06001	8.5
125.09594	2.9
131.08595	6.9
133.10115	10.3
135.04384	3.6
135.11690	4.9
137.09607	2.5
143.08556	3.8
144.28140	1.2
145.10110	5.2
149.02330	7.2
149.09579	5.0
149.13191	1.6
153.05463	20.6
159.11688	5.3
163.11166	7.6
171.11707	1.4
173.11720	4.9
173.13142	2.2
181.04953	3.8
181.12242	8.9
183.11711	1.7
189.11180	2.6
191.10646	12.5
193.04944	16.0
194.05193	2.2
196.62529	3.3
197.13174	1.6
200.20079	2.1
201.16437	1.5
209.11719	100.0
210.12053	3.7
217.08908	1.4
219.10104	1.7
219.17487	1.3
224.65631	2.3
234.09140	1.8
237.11203	84.9
238.11539	3.3
239.18025	2.0
255.12234	23.1
275.20026	15.0
283.06015	2.9
293.04498	2.2
293.17477	9.3
293.20901	3.5
297.10153	1.8
311.05441	18.4
311.09012	3.1
311.12607	2.8
311.18970	8.5
311.24503	33.4
311.27472	1.7
311.74655	11.7
312.12158	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	311.2215
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.66669	0.7
53.03934	1.6
55.01873	5.0
55.05262	1.1
55.05508	18.4
57.03432	3.8
57.07067	1.9
65.03915	2.3
67.05498	37.5
69.03412	3.0
69.07059	18.6
69.32746	1.2
69.33147	7.7
71.05009	3.6
71.08632	0.9
79.05486	27.6
81.03415	2.2
81.07051	53.2
82.07380	0.9
83.04977	4.7
83.08613	11.5
85.02895	1.0
85.06542	5.3
85.10184	0.8
89.80863	0.8
91.05469	29.2
93.07036	34.7
93.11876	0.7
95.04965	7.7
95.08598	36.5
95.43217	0.7
97.06509	7.9
97.10162	6.8
98.98446	1.0
99.08064	3.6
101.92686	0.7
103.05430	1.4
105.07022	37.5
107.04950	4.9
107.08585	25.6
109.06502	6.1
109.10143	20.5
109.10905	0.9
111.08083	4.8
111.11662	1.3
113.09602	0.9
115.05447	1.1
117.07002	10.5
119.08569	27.8
121.06496	3.6
121.10123	17.3
122.03651	1.1
123.04372	1.2
123.08060	6.9
123.11696	8.1
125.05932	1.1
125.09628	6.1
126.97627	0.7
128.06181	0.8
129.06958	2.9
131.08565	16.0
133.06488	1.7
133.10117	30.1
135.08055	5.5
135.11676	8.6
137.05965	2.3
137.09583	3.9
137.13251	1.7
139.11192	1.8
141.06946	1.2
143.08537	3.2
144.09352	1.0
145.10104	18.3
147.08029	1.3
147.11678	15.3
149.05934	0.7
149.09607	8.7
149.13239	5.8
151.11171	3.1
153.09000	1.0
153.12682	0.9
155.08566	1.7
157.10123	6.1
159.11668	13.8
161.09607	2.3
161.13248	5.2
163.11177	5.7
165.09079	1.5
165.12759	3.8
167.10690	0.7
169.10167	1.6
171.10374	0.7
171.11649	4.5
173.11725	2.4
173.13269	5.5
175.07481	1.3
175.11208	2.2
175.14877	1.8
177.12732	4.3
177.16269	0.8
179.14252	1.5
183.11667	2.5
185.13264	1.9
187.11168	1.7
187.14806	1.0
189.11212	2.9
189.12798	1.4
191.14267	1.6
193.12193	1.5
195.02855	0.9
195.13750	3.5
197.13274	2.3
199.14810	1.7
201.12691	1.2
201.16316	1.0
207.13802	1.1
211.14807	1.1
213.14647	1.0
213.16432	2.1
217.15828	1.6
219.08087	1.3
219.17284	1.5
223.13196	0.8
229.19516	2.7
231.17326	1.9
233.15335	1.5
233.18861	1.6
235.16861	5.0
237.18463	1.7
239.17921	7.2
247.20683	4.1
249.18535	1.6
251.10812	1.5
257.18967	11.1
258.19287	0.9
265.05054	0.8
265.21674	2.5
275.20044	100.0
276.20435	4.5
279.10089	1.4
293.21082	18.5
293.28116	1.2
297.10080	1.2
311.05441	11.4
311.09091	4.8
311.12445	5.2
311.22354	2.5
311.29135	0.8
312.05972	1.3
312.12292	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	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03927	3.6
55.01872	7.0
55.05505	17.2
57.03425	10.8
57.07069	31.5
57.45679	2.4
58.06602	3.9
67.05505	34.0
68.99799	2.3
69.07059	25.0
70.06596	2.6
70.76027	5.5
70.76428	5.4
71.04983	10.0
75.39528	2.3
75.98784	3.1
79.05487	25.5
81.03406	4.2
81.07051	36.6
83.04964	14.3
83.08612	12.7
85.06541	4.2
87.04462	2.7
88.07599	2.6
91.05464	22.2
91.67699	2.4
93.07040	33.9
95.04961	10.4
95.08603	35.2
96.94818	2.4
97.06539	10.3
97.10177	6.9
99.08064	3.8
105.07034	20.5
107.04940	5.5
107.08596	20.3
109.02853	6.1
109.06522	7.7
109.10145	15.2
111.04433	16.3
111.08071	11.5
117.07018	7.0
119.08582	18.1
121.02889	4.5
121.06506	4.8
121.10145	27.0
123.04402	10.4
123.08050	4.5
123.11712	5.6
125.06001	5.6
125.09599	5.6
129.06984	4.3
131.08545	12.4
133.10107	17.2
135.04434	3.6
135.08034	4.1
135.11671	8.6
137.05960	4.2
137.09576	5.5
139.11185	8.6
143.08562	2.4
145.10095	13.7
147.04396	6.9
147.11690	8.3
149.02359	6.5
149.09616	11.2
153.05467	22.8
157.10106	5.4
159.11649	5.8
161.13298	3.2
163.11137	4.9
167.10728	2.4
171.11664	5.3
175.07603	3.4
181.04977	5.8
181.12254	9.8
183.11819	4.4
183.13609	2.6
185.13225	5.0
189.11230	3.0
191.10658	11.8
193.04974	8.2
195.02873	2.5
197.13379	2.7
203.12737	5.6
209.00792	4.3
209.11720	100.0
210.11993	3.5
221.15370	3.5
227.01846	3.6
237.11186	82.0
238.11488	5.9
239.17940	5.3
252.10277	5.1
255.12274	28.1
256.12491	2.6
257.19104	7.9
275.20071	53.1
282.07510	5.7
283.06082	6.1
293.17529	8.6
293.21097	17.5
297.10068	5.9
309.03827	12.5
310.04071	3.4
311.05490	49.8
311.08914	5.9
311.12497	7.4
311.18835	6.1
311.24417	20.5
311.74658	8.5
312.05911	6.7
312.12183	22.2
312.15521	3.6
327.05060	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	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03931	4.6
54.68050	2.6
55.01620	3.4
55.01868	47.0
55.05505	56.0
57.03427	7.8
60.01434	3.1
67.05172	4.9
67.05499	72.9
69.03409	10.9
69.07066	75.0
69.07444	5.1
71.04992	15.4
72.08138	4.4
74.66820	2.9
79.05492	68.2
80.77573	2.6
81.03397	4.7
81.07047	100.0
83.04968	31.1
83.08619	55.2
85.06524	8.0
87.04446	9.3
91.05478	36.2
92.39289	2.7
93.07033	77.7
94.77795	3.0
95.04956	11.1
95.08595	70.8
97.02895	6.1
97.06525	61.0
97.10165	17.2
99.08093	10.0
100.99090	2.6
101.05968	6.6
105.07030	29.7
107.04930	5.7
107.08582	64.8
109.06495	9.8
109.10160	33.2
111.04427	5.9
111.08068	32.5
113.05983	11.9
115.03928	5.1
115.07564	4.7
117.07007	15.9
119.08549	24.0
121.02878	3.8
121.06536	7.8
121.10131	37.6
123.04396	3.2
123.08022	7.8
123.11687	13.4
125.05966	5.9
125.09644	31.9
129.07025	5.6
129.98073	2.8
131.08557	21.1
133.10101	23.4
135.04292	3.0
135.08022	4.9
135.11679	59.3
137.05971	11.4
137.13242	4.9
139.11160	9.5
145.10144	20.2
147.04323	3.1
147.11670	14.8
149.09647	6.8
149.13216	22.8
151.11195	4.1
153.12749	8.6
159.11691	22.3
161.13261	12.0
163.11157	11.8
163.14735	7.3
165.06929	3.1
165.12828	4.0
167.10645	6.5
171.11667	4.3
173.13234	12.3
177.01852	4.0
177.12695	7.2
181.10188	3.2
181.12213	9.0
185.13216	3.9
187.14842	5.1
189.11192	11.7
191.08511	4.6
195.13779	7.1
197.13170	3.9
199.13261	5.8
209.09708	2.9
209.11613	5.1
213.21893	2.8
223.13152	6.6
229.19489	13.2
236.04581	2.9
243.01143	2.8
247.20552	13.1
251.10446	3.6
251.16364	3.4
257.18863	3.5
265.21606	67.7
275.20059	45.8
279.10065	4.9
281.04578	3.3
283.05960	7.1
293.21072	69.2
294.21530	5.2
297.09952	3.2
311.05637	30.9
311.09085	10.8
311.12524	16.5
311.18573	8.8
311.22110	72.5
312.05634	4.3
312.09204	3.5
312.12247	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1963
Annotation	3beta,4alpha-Dihydroxy-13beta-methoxylupanine
Peak:m/z	Relative Intensity
53.03947	0.2
55.01870	0.3
55.05488	0.3
56.05013	0.4
56.96541	0.3
59.04981	0.3
65.54017	0.2
67.05494	0.3
68.05013	0.4
69.03393	0.2
70.06593	1.7
70.97306	0.2
71.61658	0.3
72.08158	1.9
73.23049	0.2
73.26266	0.2
79.05479	0.5
80.04996	0.3
82.06149	0.2
82.06564	1.1
84.08138	1.6
85.02875	0.4
86.06050	0.6
91.05486	0.4
94.06538	0.6
95.08591	0.2
96.08115	3.4
97.02881	0.2
98.06062	1.0
98.09669	1.1
98.97568	0.6
100.07600	1.1
101.06004	0.6
105.07018	0.2
107.04971	0.2
108.08099	0.3
110.06029	0.6
110.09663	0.4
112.07603	1.9
114.09156	10.6
116.98611	0.3
118.48756	0.2
119.04945	0.3
120.08043	0.3
121.06513	0.2
124.07567	0.5
126.09116	0.4
128.07076	0.6
130.08664	0.2
133.06531	0.2
134.09657	0.2
136.07581	0.4
136.11189	0.3
138.09142	0.6
142.08638	1.1
144.10202	1.7
144.66779	0.2
146.09621	0.6
147.04410	0.3
148.07556	0.3
148.11223	0.4
149.47964	0.2
150.09146	0.9
160.07593	0.2
161.07066	0.8
162.09056	0.6
163.03813	0.2
164.06950	0.3
164.10701	1.9
166.08607	0.6
166.12209	0.3
168.10170	0.5
178.08629	0.7
180.10196	0.2
182.11722	0.5
186.82491	0.2
190.12236	0.2
192.10246	0.3
194.11705	0.3
200.10585	0.2
203.11864	0.3
218.11687	0.3
223.04179	0.3
223.71991	0.2
243.14963	0.4
245.09299	0.3
249.99605	0.3
261.16003	1.6
265.15353	0.3
266.31366	0.2
279.17004	5.4
280.17288	0.2
293.11786	0.3
293.15103	0.6
293.18552	11.0
294.18732	0.3
309.17926	0.6
311.19614	100.0
312.19965	4.8
312.23730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
55.05503	3.3
56.05021	0.8
56.96555	2.4
57.03425	1.1
57.07061	0.7
58.06587	2.7
58.07969	0.6
60.05639	0.7
61.02914	0.8
61.71519	0.5
66.22984	0.5
67.05494	1.8
68.05005	1.3
69.03420	2.0
69.05795	0.8
69.07052	2.1
70.06588	11.0
71.04977	0.7
71.06912	0.9
71.61728	0.6
71.62141	1.4
72.08149	18.3
73.08491	0.9
73.30892	0.6
74.06065	0.9
79.05489	2.7
80.04990	1.0
81.03418	1.8
81.07060	2.9
82.06568	1.7
83.08612	0.7
84.04501	0.8
84.08138	5.2
85.02888	4.1
86.06049	1.0
86.09661	1.3
87.07980	0.6
89.10799	1.9
91.05468	2.4
93.07038	2.7
94.06541	2.6
95.04942	2.0
95.08589	2.3
96.04464	0.6
96.08128	4.4
97.02886	1.6
97.06525	1.2
97.07639	0.8
98.06044	3.8
98.09679	24.8
98.97577	1.6
100.07616	1.9
105.07024	2.1
106.06557	0.8
107.04963	3.6
107.08596	1.3
108.08121	2.1
109.02888	1.2
109.10139	0.9
110.06033	4.3
110.07163	1.2
110.09666	0.9
112.07583	2.4
113.09650	1.9
114.09161	1.9
114.10288	2.1
115.08682	1.4
116.98588	1.9
117.06987	0.8
119.04942	1.8
119.08602	1.2
120.08114	0.8
121.06516	1.3
122.06020	2.0
122.09662	0.9
122.86970	0.7
123.04366	1.1
124.07578	3.6
124.11216	17.9
125.05976	1.2
127.03886	1.7
129.10284	0.9
130.08655	0.9
131.04924	0.8
131.12894	1.1
133.06473	1.2
134.09673	0.9
134.99643	1.6
135.04410	1.4
135.08040	0.9
136.07582	3.6
136.11229	1.5
137.05995	0.7
138.05589	1.1
140.07060	3.8
142.08624	1.1
142.88280	0.7
144.41138	0.6
145.04985	0.7
146.05983	1.1
147.04393	7.4
147.08014	1.0
148.07571	1.1
149.34837	0.8
150.09135	2.0
150.12758	4.8
152.07040	1.0
152.10706	1.7
153.10194	7.0
154.08630	2.3
157.10892	1.1
160.07613	1.0
160.11232	0.7
161.01227	0.8
161.05925	1.0
161.07106	3.9
162.09097	1.2
163.02690	0.6
163.03838	3.8
164.07051	0.9
164.10692	1.1
166.08556	0.6
166.12267	1.7
167.06963	0.7
168.06477	0.8
170.99785	0.6
176.10722	2.3
177.00687	1.1
177.05489	0.9
178.08629	1.7
178.12250	5.0
180.99530	0.9
182.11784	1.9
188.07118	0.6
193.13356	0.7
195.14914	46.7
196.13333	3.2
196.15143	1.1
199.32069	0.6
207.11266	0.6
208.09630	0.8
208.98914	1.1
212.61331	0.7
218.11775	2.0
220.09807	0.7
223.14410	1.2
225.04196	0.8
225.09102	0.7
235.14366	1.2
245.09143	0.9
249.15894	0.7
252.12254	0.7
257.09244	1.3
263.13986	2.1
265.18930	0.8
269.11298	12.3
269.14511	1.1
275.13986	1.7
279.17026	1.0
283.16574	0.9
289.72931	0.7
293.11322	2.7
293.14966	7.3
293.18448	1.8
293.21533	0.6
297.29468	0.6
311.06595	2.8
311.16013	100.0
311.19632	28.5
312.10864	1.0
312.16110	3.8
327.05386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32407	0.3
55.01866	0.4
55.05497	1.5
56.96552	0.5
57.83947	0.3
58.06581	0.3
61.02921	0.7
65.03931	0.4
67.04230	0.7
67.05504	1.3
69.03405	1.3
69.07063	1.0
70.06583	1.7
71.61389	0.4
72.08150	2.9
73.91219	0.3
79.05496	1.2
80.05012	0.4
81.03395	0.7
81.07056	0.6
82.06593	2.6
84.08140	2.9
85.02908	1.0
85.06538	0.6
86.06087	0.4
86.09691	0.4
91.05470	0.8
93.07019	1.0
94.06561	1.0
95.04952	0.8
95.08566	0.4
96.04475	0.5
96.08106	0.5
97.02896	0.6
98.06039	0.5
107.04942	1.2
107.08594	0.5
108.08096	0.5
109.02863	0.6
109.06498	1.1
110.06033	100.0
111.06375	1.0
112.07600	3.7
116.31613	0.4
116.98620	0.5
119.04912	0.6
119.08587	0.7
121.10181	0.5
122.06019	1.6
123.04442	0.4
123.08078	0.3
124.07603	1.3
127.03931	0.7
127.08594	0.4
131.04948	0.6
132.08125	0.4
134.38676	0.4
134.99628	0.5
135.04439	1.0
136.07596	1.0
137.05994	0.9
138.05692	0.4
138.09151	0.9
140.07053	30.5
142.08638	2.9
147.04378	2.3
148.42920	0.4
148.95866	0.4
152.07030	0.7
154.08620	3.2
156.06526	2.4
156.10178	0.8
162.09109	0.9
168.06535	0.8
172.09694	3.0
174.76619	0.3
177.05447	0.8
178.02626	0.4
180.10185	0.9
203.07080	0.5
205.06531	0.5
208.09673	2.4
218.04776	0.4
218.11708	0.5
230.11823	0.8
233.08055	0.4
233.12926	0.5
233.15352	0.5
248.12680	0.9
251.13834	0.6
254.08032	0.4
257.12723	0.6
258.11346	1.0
268.09448	0.5
275.13879	3.9
275.16739	0.5
276.12308	0.6
284.13016	0.6
293.11636	0.5
293.14932	15.6
311.12286	1.2
311.16013	25.8
311.19626	2.9
312.12225	2.1
312.16037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
52.46542	0.9
53.03161	1.0
53.03912	0.9
57.07070	1.1
65.03880	1.0
67.05497	2.3
69.03397	1.6
69.07053	1.4
69.39308	7.8
69.39731	2.7
69.61290	1.0
70.06562	1.2
72.08130	2.1
76.84117	1.1
79.05483	4.7
81.03399	2.4
81.07045	4.4
84.08132	1.8
85.02906	1.2
86.09676	1.4
87.48114	1.0
89.03933	1.2
91.05482	5.4
93.07049	3.1
94.04181	2.9
95.04945	1.5
95.08577	2.9
97.02870	2.5
103.05447	1.1
105.07031	9.3
107.04936	2.9
107.08565	2.1
109.06473	5.9
109.10168	1.4
111.04403	1.3
111.08056	1.1
112.07525	1.2
114.05439	1.0
115.05443	2.6
117.07001	1.7
119.08545	1.9
121.06515	1.9
121.10130	2.6
122.03645	10.2
123.04462	1.5
129.07016	5.0
131.04930	2.4
131.08568	3.2
133.06508	4.2
135.04353	1.4
137.05965	97.1
138.06319	1.3
144.05699	2.8
145.06453	1.4
147.04381	2.2
149.05946	5.6
151.07535	1.6
155.04886	7.4
155.25723	1.3
156.05644	1.3
157.31129	1.1
159.08006	6.8
161.05980	13.6
165.06972	2.1
167.07045	2.0
172.05185	2.0
175.07544	4.9
179.08543	2.1
180.09283	1.6
187.07526	31.9
187.09158	2.1
189.06898	5.0
190.07764	21.3
191.08533	43.2
192.09024	1.6
201.09077	1.1
202.07759	1.8
205.06430	1.9
207.08078	4.3
208.08824	7.9
218.07256	14.7
219.08038	61.7
220.08730	8.4
221.06087	2.7
221.09474	1.2
233.09605	2.5
235.07480	6.6
236.08299	14.3
237.09041	2.5
246.06731	1.9
247.05212	2.0
247.07532	24.2
247.09897	2.1
248.08331	5.6
249.09102	1.7
251.10654	89.3
252.10945	5.3
253.08479	5.6
261.09073	3.7
263.07037	1.6
264.04865	1.5
264.07730	10.5
265.08615	3.3
266.05774	1.8
267.10028	1.8
268.10989	1.6
278.09122	1.5
279.10141	81.5
280.10672	10.2
281.08008	11.2
281.10583	1.4
283.06100	2.3
283.09445	1.1
283.13104	1.8
293.21088	1.9
295.09573	1.8
296.10480	10.1
309.11176	1.1
311.05536	9.0
311.12744	100.0
311.15610	3.5
312.05801	1.4
312.12915	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	311.0543
Annotation	Maxima isoflavone A
Peak:m/z	Relative Intensity
50.01579	0.1
51.34803	0.1
53.03944	0.9
55.01868	0.5
55.05496	0.2
56.96539	0.1
57.03431	0.1
57.07061	0.3
60.09404	0.0
63.02366	0.2
65.03930	0.2
67.01857	0.3
67.05510	0.1
67.50982	0.1
68.99780	0.1
69.07063	0.3
69.41839	0.6
70.82367	0.1
71.08643	0.1
77.03922	0.1
79.01849	0.1
79.05489	0.5
81.03410	6.4
81.07044	0.3
82.03751	0.1
83.08603	0.2
89.03912	1.8
89.04467	0.1
90.04285	0.1
91.05483	0.2
93.03397	0.1
93.07008	0.1
94.06529	0.1
95.01336	0.1
95.04955	0.3
95.08597	0.2
97.10150	0.2
98.20757	0.1
99.00800	0.4
103.01806	0.1
105.03425	0.3
107.04942	0.8
107.08571	0.1
109.02869	9.8
109.10178	0.1
110.03210	0.2
111.04390	0.1
111.11661	0.1
115.01982	0.1
115.05450	0.2
117.03371	1.5
117.07020	0.1
119.08612	0.1
121.02862	0.8
121.10139	0.1
123.00751	0.1
123.04423	0.6
127.03938	0.3
127.05446	0.1
128.06194	0.3
129.06989	0.2
131.01259	0.5
131.04922	0.1
133.02844	0.1
135.00757	0.2
135.04401	2.8
137.02332	4.3
137.03369	0.2
138.02654	0.1
139.03960	0.1
139.05376	0.1
141.06972	0.5
143.04907	0.1
143.08521	0.2
145.02853	0.1
145.03947	0.1
145.06462	0.2
147.04422	0.1
149.02373	0.4
149.13351	0.1
151.03925	0.1
152.06183	0.8
153.06975	2.2
155.04897	0.4
155.08574	0.1
157.02840	0.2
157.06416	0.2
158.05963	0.1
159.04373	0.1
161.02351	0.1
161.05997	0.1
161.38872	0.1
165.06963	0.3
167.03363	0.7
167.04768	0.1
169.06493	0.3
171.04349	0.1
171.08032	0.2
173.02454	0.1
173.05972	0.3
175.03911	0.4
177.01810	4.6
178.02159	0.2
181.06462	2.5
182.06868	0.1
183.04420	0.4
184.05223	0.1
189.05421	0.1
195.02876	18.2
195.31511	0.1
196.03191	0.6
197.05908	0.3
198.06778	0.1
199.07524	0.6
200.07916	0.1
201.05420	0.4
203.03328	0.2
203.28516	0.1
209.05963	1.3
209.11687	0.6
210.06529	0.1
211.03894	0.5
211.07689	0.1
213.05469	0.1
218.04448	0.1
221.04283	0.1
226.06206	0.1
227.07025	1.6
228.07303	0.1
229.04921	0.2
237.05493	1.0
237.11113	0.4
238.06049	0.1
239.03453	0.1
239.07010	0.3
240.04228	0.1
241.04849	0.1
253.04907	0.1
255.06512	1.4
255.12318	0.1
256.06934	0.1
257.04382	0.2
265.04932	1.1
266.05542	0.1
267.06439	0.1
283.06000	0.8
284.06277	0.1
293.04407	2.1
294.04831	0.1
311.05463	100.0
312.05792	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	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.75526	0.9
53.03921	2.8
55.01856	2.6
55.05504	30.7
56.05860	1.0
57.03423	2.5
57.07067	10.6
59.04980	2.5
65.03909	1.5
67.05127	1.1
67.05495	39.4
69.03407	2.9
69.07062	50.3
70.06581	1.0
70.26027	3.7
71.04981	5.2
71.08607	3.5
73.06532	3.5
79.05485	19.0
81.03400	1.3
81.07047	100.0
81.26196	1.1
82.07365	1.3
83.04971	3.3
83.08129	1.7
83.08610	27.6
84.08126	1.7
85.02888	4.6
85.06533	17.4
91.05465	9.4
93.07030	39.2
95.04936	4.8
95.08595	90.1
96.08958	1.3
97.02879	6.4
97.06512	6.1
97.10165	13.9
99.08065	10.7
100.11214	2.5
105.07019	12.8
105.25426	1.0
107.08582	40.2
108.08938	1.3
109.02828	1.0
109.06520	1.4
109.10145	53.3
110.10467	1.8
111.08079	10.0
111.11697	6.9
113.09612	2.7
117.03345	1.5
117.06997	1.4
119.04906	2.4
119.08578	11.2
121.09297	1.9
121.10126	25.0
122.10492	1.1
123.08037	2.0
123.11694	33.3
124.12038	1.1
125.09628	4.9
125.13242	2.8
127.03888	1.3
127.11156	1.6
131.08562	1.3
133.10114	7.0
135.11673	22.9
137.09612	2.2
137.13232	10.8
139.11171	3.0
145.02818	4.2
145.10091	1.9
147.04436	7.8
147.11673	7.2
148.04753	1.1
149.05898	1.4
149.09674	1.2
149.13240	29.7
151.14795	3.8
153.09048	1.0
153.12721	3.8
157.78455	1.0
161.13229	3.8
163.14806	14.8
165.12767	1.3
165.16434	1.9
167.14282	3.4
168.05669	1.0
171.13791	2.6
175.07420	1.9
175.14821	3.4
177.05478	9.0
177.16391	8.5
181.15813	1.4
182.15385	3.2
185.15305	3.3
189.11163	1.4
189.16324	3.3
190.17464	0.9
191.17926	4.2
195.17415	1.9
203.17938	4.4
207.17409	1.2
209.18932	1.8
217.19476	2.5
221.19000	1.9
229.08395	1.0
234.06728	1.2
235.20587	3.0
247.24300	1.0
249.09044	1.5
265.25153	1.5
273.18546	2.2
273.25833	6.5
277.08536	1.5
278.09543	1.1
281.11746	1.4
291.19611	3.4
291.26791	25.3
292.19949	1.2
292.27097	1.8
309.07559	3.8
309.11136	6.0
309.21249	2.8
309.27832	51.4
310.11276	1.8
310.28162	3.2
330.33633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03933	2.4
54.14803	0.9
55.01862	1.9
55.05505	20.2
57.03420	3.5
57.07069	9.1
59.04994	26.0
65.03938	1.4
67.05499	33.2
69.03419	2.6
69.07061	33.5
70.16184	1.8
70.16576	3.1
71.04979	4.0
71.08615	2.7
72.08124	1.1
79.05051	1.4
79.05482	15.3
81.03392	1.5
81.07048	100.0
82.07367	2.2
83.08611	17.4
84.08109	0.9
85.02893	6.5
85.06535	32.6
87.04449	1.2
91.05470	7.8
93.07036	33.5
94.84459	1.1
95.04961	2.5
95.08598	84.0
96.08933	2.6
97.02875	3.2
97.06509	3.5
97.10167	10.8
99.07475	1.8
99.08086	27.7
105.07026	11.3
107.08583	39.0
109.02876	1.5
109.06507	2.3
109.10146	62.0
110.10495	1.5
111.08070	9.3
111.11694	7.5
113.09634	8.1
115.07573	0.9
117.09121	5.2
119.04916	1.9
119.08582	9.4
121.09306	1.7
121.10131	27.6
123.08054	1.2
123.11693	35.3
125.09588	6.3
125.13226	0.9
127.03898	1.0
127.11178	2.2
129.07037	1.2
129.12709	2.5
131.08488	1.3
133.10121	6.3
135.11665	19.1
136.11990	1.2
137.13248	13.1
139.11147	3.7
141.01746	1.0
145.02838	2.1
145.10071	1.4
147.04391	15.6
147.11687	6.9
149.09706	1.0
149.13249	27.6
150.13602	1.4
151.14772	5.9
153.12692	2.6
159.11693	0.9
161.13181	5.6
163.14813	23.3
164.15164	1.0
165.12746	1.1
165.16432	2.3
167.14328	3.7
172.15407	1.1
175.13425	0.9
175.14801	3.7
177.04016	0.9
177.05406	4.1
177.16336	10.2
179.17961	2.3
181.15749	1.9
185.15309	1.0
189.16351	2.2
191.17961	5.0
193.19409	1.1
195.17450	1.5
203.17929	4.0
205.19461	1.9
209.18898	2.2
211.20670	1.1
215.91193	1.2
217.19501	6.5
221.19017	1.5
231.20940	1.0
235.20502	3.6
247.24210	4.3
265.25259	4.7
273.25693	12.6
277.08676	1.7
279.26675	1.5
281.11725	1.8
291.08383	0.9
291.19492	1.6
291.26767	26.4
292.26984	1.5
309.07520	3.2
309.11060	4.2
309.27832	31.6
310.28284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03935	4.0
55.01866	2.5
55.05505	23.8
56.79025	1.2
56.96549	4.0
57.03416	4.3
57.07073	6.7
59.04993	17.8
63.36433	1.3
65.03912	2.1
67.05499	47.6
69.03415	6.4
69.07061	40.5
69.07382	0.8
71.04971	5.4
71.08604	3.9
71.62760	2.5
72.08139	2.1
79.05050	1.8
79.05483	20.9
81.03413	1.4
81.07049	100.0
82.07368	1.9
83.04953	3.1
83.08608	17.7
84.08157	2.1
85.02895	13.4
85.06539	15.7
91.05470	14.3
93.07034	34.0
95.04956	4.4
95.08598	91.9
97.02897	7.9
97.06503	3.8
97.10163	13.5
98.97559	2.1
99.08092	16.3
105.07011	10.5
107.04971	1.4
107.08583	34.1
109.02857	3.7
109.10143	93.0
110.10463	1.6
111.08080	11.0
111.11710	8.2
113.09615	1.9
116.98606	2.0
117.09106	3.2
119.04939	10.9
119.08566	9.0
121.06416	1.4
121.10136	28.1
123.08030	2.2
123.11697	29.9
125.09621	5.4
127.03905	31.9
128.04253	2.4
129.05470	3.3
129.06927	1.4
131.04857	1.4
131.08533	1.8
133.10115	5.6
134.99651	1.9
135.11684	22.1
137.13260	11.0
138.05573	1.7
139.11156	7.5
145.02838	3.8
145.06462	1.8
145.10133	1.6
147.04388	41.2
147.06358	2.3
147.11690	4.1
148.04732	3.5
149.13229	24.3
151.14784	4.5
153.12712	6.3
157.10077	1.5
161.13220	4.1
163.07477	1.4
163.14796	13.1
163.33318	1.5
165.05560	1.3
165.16365	4.7
166.08632	1.6
167.14270	8.4
171.11578	1.7
175.03973	1.3
175.07570	2.0
175.14810	2.2
177.05487	6.2
177.16397	10.4
178.16899	1.3
179.17970	1.7
182.99684	2.0
186.93884	1.3
189.16344	2.2
191.17926	6.2
201.00673	12.8
203.17964	3.2
205.19409	1.9
216.19041	1.3
217.19493	5.1
219.01711	3.5
234.06752	2.3
245.22716	1.4
247.24350	6.7
249.09021	2.1
257.03458	1.9
261.25754	2.5
262.47809	1.3
273.18597	1.6
273.25684	11.0
277.08527	5.2
281.11743	3.5
291.08429	2.5
291.26788	23.2
309.04053	2.3
309.07645	9.3
309.10562	9.1
309.27805	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03941	2.5
55.01868	10.1
55.05508	21.4
56.96563	1.1
57.03448	5.4
57.07076	8.9
59.04992	2.0
61.02903	0.6
65.03943	1.0
67.05503	34.2
69.03429	5.8
69.07066	39.6
70.78996	2.5
71.04985	7.1
71.08625	3.3
71.72674	0.7
72.08157	1.4
73.02900	0.8
73.06518	0.7
74.27188	0.6
75.04473	0.9
79.05492	20.5
79.05955	1.4
80.05776	0.7
81.03422	2.1
81.07056	100.0
82.07382	2.2
83.04973	4.5
83.08614	14.8
84.48554	0.6
85.02905	13.2
85.06542	38.0
87.18383	0.6
91.05475	12.3
93.07038	29.8
94.07357	1.0
95.04968	8.9
95.08603	70.0
96.08932	1.9
97.02888	6.1
97.06522	9.0
97.10170	9.7
98.10558	0.6
98.20779	0.8
99.04483	1.0
99.08095	11.4
100.08448	0.9
101.06023	0.9
105.07025	11.6
106.07349	0.7
107.04928	1.1
107.08591	30.0
108.08890	0.7
109.02879	1.9
109.06523	2.6
109.10155	32.9
109.10909	1.6
110.10528	1.5
111.08077	73.7
111.11728	5.5
112.08422	1.5
113.09650	2.5
115.20248	0.6
117.03373	1.1
117.07032	1.7
119.04945	2.3
119.08582	9.3
121.06492	1.3
121.10140	20.3
121.11022	1.2
123.08070	2.2
123.11707	22.8
124.12090	0.9
125.09626	14.6
125.13280	0.8
126.46339	0.6
127.03961	0.8
127.11237	1.1
129.05508	1.8
129.07010	1.4
131.08565	2.7
133.10129	6.4
134.10495	0.9
135.04446	0.8
135.08046	1.2
135.11691	10.4
137.09648	2.1
137.13254	9.7
138.13602	1.0
139.11148	5.2
143.08582	1.5
145.02849	2.9
145.10129	2.1
147.04416	12.8
147.06493	2.1
147.11685	3.9
149.09657	1.3
149.13252	18.4
151.11194	1.4
151.14822	3.0
153.12770	1.4
155.14330	1.1
157.10126	1.6
159.11668	1.1
161.09637	0.9
161.13263	2.9
163.14828	7.0
165.12755	1.8
165.16365	1.2
167.14322	6.2
171.11723	0.8
175.11200	1.0
175.14818	1.7
177.05455	6.1
177.16394	3.6
181.15881	1.4
189.12766	1.0
189.16406	1.6
191.17964	2.2
195.17418	1.0
199.14859	1.2
203.17851	1.0
205.19586	1.2
217.15901	2.1
217.19580	1.4
219.08098	0.8
231.13615	0.8
234.06686	0.8
235.20483	0.8
245.18846	0.8
247.24208	0.9
249.09067	1.4
253.04840	1.0
261.25934	0.7
263.20032	1.0
273.18472	2.7
273.25790	1.8
277.08676	1.3
281.04526	1.5
281.07932	1.4
281.11771	1.3
291.19522	4.2
291.26764	10.0
292.27176	1.2
294.08853	0.9
309.03882	4.5
309.07538	5.3
309.11163	3.3
309.17255	1.9
309.20624	7.1
309.27875	46.1
310.04474	1.2
310.11020	1.0
310.20801	1.0
310.28189	3.7
327.18472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2784
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03932	3.1
55.01862	4.8
55.05259	1.9
55.05505	29.0
56.96547	1.7
57.03431	12.0
57.07069	17.1
59.04985	2.3
65.03915	2.4
67.05500	43.9
67.26873	1.2
69.03415	4.9
69.07059	39.9
71.04991	10.0
71.08622	11.4
71.63716	2.6
75.04495	1.3
78.09480	1.4
79.05049	2.6
79.05486	29.9
81.03416	4.1
81.07050	100.0
82.07373	2.5
83.04969	6.4
83.08609	29.6
85.02893	14.7
85.06532	7.0
85.10175	3.2
91.05463	23.9
93.07040	42.6
95.04970	11.6
95.08595	79.3
96.08936	1.6
97.02876	3.1
97.06490	10.0
97.10162	18.8
98.98459	1.8
99.08081	6.1
101.06030	1.7
105.07015	27.0
107.04964	4.9
107.08589	34.1
109.06514	9.8
109.10151	46.8
109.10914	2.2
111.08078	5.4
111.11713	11.0
113.06003	1.5
117.07037	5.4
119.04961	6.8
119.08569	24.3
120.08870	1.7
121.02908	2.0
121.06496	4.0
121.10129	27.2
123.04412	3.3
123.08053	10.4
123.11693	23.3
125.09622	6.2
127.03880	1.9
127.07523	1.7
129.08905	1.3
131.08525	5.9
133.06516	2.2
133.10121	16.0
135.04439	1.6
135.08051	3.4
135.11696	19.2
137.09599	9.0
137.13235	12.0
139.11153	4.5
141.09117	1.7
143.08548	2.4
145.02882	1.8
145.06465	2.8
145.10130	5.7
147.04398	27.7
147.06332	1.3
147.08055	4.0
147.11670	16.4
149.09613	3.6
149.13240	13.9
151.11215	3.2
151.14815	5.5
153.05560	1.4
153.12714	1.9
155.01050	1.5
157.10130	2.9
159.11693	5.1
161.09607	2.4
161.13272	11.8
163.03821	1.7
163.11057	1.9
163.14792	8.7
165.05443	2.7
165.12764	4.0
165.16412	3.1
167.10722	1.4
169.10236	2.6
171.11676	2.5
173.05939	2.4
173.13257	3.0
175.14793	6.0
177.05487	4.7
177.16354	3.2
179.17978	2.0
182.07362	1.8
187.07556	3.9
189.11148	2.7
189.16411	8.4
191.03464	3.3
191.17905	5.0
203.17909	2.9
209.27466	1.5
217.15976	1.9
217.19528	5.6
225.95313	1.3
247.24011	2.2
249.14949	1.6
253.04929	2.0
263.20029	5.8
273.18539	10.2
273.25751	30.7
274.18503	2.0
277.08511	1.7
291.19489	21.2
291.26761	22.0
292.19650	2.1
309.04059	2.9
309.07547	52.8
309.11090	11.1
309.16956	3.0
309.20724	5.6
309.27942	23.2
310.04764	2.8
310.07922	6.3
310.11142	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	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01853	3.6
55.05508	17.8
56.96559	2.7
57.03415	6.5
57.07067	3.7
59.55487	1.8
65.03934	3.8
67.05503	31.3
68.73740	1.9
69.03417	3.2
69.07061	20.9
70.13171	9.7
71.04981	4.9
79.05490	31.4
80.98521	1.8
81.03407	4.2
81.07056	44.6
81.48116	1.8
83.04958	3.8
83.08627	6.0
85.06580	2.0
91.05478	38.1
93.07039	80.2
95.04966	56.8
95.08602	49.4
97.06524	17.0
97.10163	2.1
99.28616	2.0
103.05504	3.1
105.07026	77.1
107.04939	3.8
107.08583	39.1
109.06536	12.1
109.10157	25.1
115.05437	5.0
117.07003	15.6
119.07828	1.9
119.08574	60.6
121.06527	10.3
121.10138	100.0
123.04414	3.9
123.08071	13.4
123.11701	6.9
128.06215	9.2
129.06996	11.5
130.07733	5.7
131.08574	36.8
133.10130	41.2
135.08047	4.6
135.11699	13.7
141.06966	7.9
142.07794	12.6
143.08549	26.6
144.09293	5.6
145.06479	6.9
145.10117	48.5
147.04385	2.6
147.08028	5.3
147.11687	15.0
149.09601	3.4
149.13269	3.6
153.07018	2.4
155.08557	7.4
156.09344	10.6
157.10118	30.9
158.07454	2.4
158.10820	2.9
159.08058	4.5
159.11693	34.7
161.09560	9.4
161.13271	6.0
163.11102	2.8
165.07024	3.1
167.08621	5.2
168.09361	4.1
169.10101	18.9
170.10858	5.3
171.11664	20.0
173.05991	13.9
173.09671	2.2
173.13249	16.8
175.11162	2.3
175.14841	9.2
179.08553	3.4
181.10161	4.2
182.10919	4.2
183.11705	10.7
185.13171	13.4
187.07530	9.4
187.11137	11.4
187.14807	19.2
189.12798	4.4
189.16402	2.7
193.10132	3.2
195.11650	5.9
196.12410	3.6
197.13222	10.6
199.07613	2.3
199.14815	11.5
201.12814	3.4
201.16304	3.1
206.10805	2.6
207.11775	3.9
209.13319	7.7
211.11288	2.1
211.14792	7.1
213.12848	2.1
213.16388	3.9
215.14218	2.5
221.13354	2.6
223.14818	3.8
225.12694	2.6
225.16298	4.9
235.14803	6.7
239.17929	4.9
249.16380	3.9
253.15926	5.0
265.19360	3.3
266.07944	5.7
267.08835	3.4
270.45004	2.3
281.22659	6.3
291.21054	8.9
294.07678	2.9
309.03882	2.6
309.11371	21.4
309.14755	3.5
309.22067	59.8
309.25464	4.3
310.10812	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	309.2206
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
52.00723	2.0
53.03930	6.2
55.01857	4.0
55.05511	12.9
57.03415	8.3
57.07049	3.9
67.05498	25.1
69.03416	3.0
69.07054	22.0
70.15218	9.5
71.04967	4.2
79.05489	32.3
81.03407	4.7
81.07053	53.3
83.04951	4.4
83.08601	6.7
90.42633	2.3
91.05478	43.2
93.06469	4.2
93.07038	78.5
95.04966	61.4
95.08051	3.3
95.08604	48.6
97.06527	23.1
97.10124	2.1
98.21613	2.0
103.05424	4.4
105.07028	83.8
107.04990	2.6
107.08593	45.1
109.06509	13.8
109.10153	27.6
115.05427	5.3
115.64233	2.2
116.06187	2.4
117.07021	20.4
119.08575	66.9
121.06515	14.9
121.10136	100.0
123.08077	9.9
123.11689	8.9
126.16595	2.1
128.06183	7.9
129.06996	16.8
130.07742	8.4
131.08559	46.1
133.10121	47.0
135.08032	4.0
135.11670	15.9
137.13200	2.1
141.06950	6.6
142.07758	15.6
143.08543	33.0
144.09276	8.4
144.38460	2.2
145.06477	3.6
145.09036	3.9
145.10118	54.8
147.08014	4.5
147.11650	15.8
149.05345	2.5
149.09576	6.4
153.06877	2.9
155.08516	9.6
156.09279	9.6
157.08911	3.4
157.10110	36.7
158.10844	4.9
159.08060	2.9
159.11678	45.2
161.09552	7.8
161.13226	8.7
165.06956	3.5
167.08507	6.1
168.09303	3.5
169.10097	19.0
170.10867	8.1
171.11714	21.1
172.12450	2.8
173.09590	3.6
173.13271	23.9
175.11093	3.8
175.14828	10.1
179.08453	5.0
181.10069	8.0
182.10838	3.6
183.11679	15.4
185.09570	3.0
185.13235	15.1
187.11212	14.2
187.14796	23.8
189.12622	3.2
193.10020	6.0
195.11693	9.9
197.09650	3.1
197.13228	13.2
199.11176	3.1
199.14845	9.8
201.12657	3.5
206.10886	3.5
207.11638	5.0
208.12332	3.8
209.13145	9.1
211.11311	2.6
211.14778	9.7
213.16382	7.1
215.14268	5.1
220.12462	3.8
221.13307	4.7
223.14780	4.9
225.16307	6.7
227.14304	2.6
235.14734	5.8
237.16454	2.9
239.14374	3.5
239.17897	4.6
241.15660	2.3
241.19820	2.7
249.16310	3.1
253.15695	6.1
253.19510	4.0
265.19443	5.4
267.72934	2.3
281.22449	5.2
291.20950	8.8
309.07541	4.0
309.11020	3.9
309.22018	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.39336	1.4
53.03940	13.4
55.01867	8.1
55.05507	7.8
57.03434	9.8
57.07047	1.9
59.04982	2.3
65.03931	2.2
67.05170	3.0
67.05501	44.0
69.03413	4.7
69.07061	8.6
70.64050	4.4
71.04992	12.8
79.05487	26.5
81.03415	39.9
81.07052	63.2
83.04953	6.7
83.08593	4.3
83.68708	1.7
85.02892	3.3
85.06548	9.2
86.95271	1.5
91.05473	20.2
93.07038	27.7
95.01332	1.6
95.04961	21.9
95.08595	33.3
97.06509	3.1
97.10151	1.9
105.07021	17.1
107.04951	18.7
107.08588	16.8
108.04295	1.5
109.06516	40.4
109.10135	4.9
111.08068	3.8
113.05994	22.5
115.05423	1.9
116.75527	1.5
117.06998	11.9
119.04897	2.1
119.08572	6.3
120.26989	1.6
121.06472	9.2
121.10143	7.7
123.04435	9.4
123.08035	18.3
123.11658	2.5
125.05975	1.7
127.07549	2.1
129.06996	4.5
131.08543	14.5
133.06503	2.3
133.10110	8.4
135.08040	20.9
135.11649	17.2
141.06961	4.4
143.08533	5.7
145.06477	10.8
145.10136	10.4
147.04390	3.2
147.08041	3.1
147.11638	3.6
149.09602	5.0
149.13245	7.2
151.11102	2.1
157.10109	4.5
159.08047	3.9
159.11681	12.0
161.09552	4.0
161.13248	3.2
163.11177	3.7
165.09138	1.7
169.10107	5.1
171.11681	2.2
173.05977	8.9
177.12788	10.2
183.11784	2.0
185.13319	2.5
187.07539	7.9
187.11157	11.1
195.13805	5.7
199.07472	2.6
199.14740	3.7
201.12605	2.0
203.17935	1.6
205.12178	3.9
217.15820	10.2
221.15341	5.1
223.13219	2.4
235.16910	1.8
237.16357	2.5
241.14342	10.5
245.19011	2.6
255.17345	3.8
263.20093	8.1
273.18417	23.1
274.18832	1.9
291.19504	100.0
292.19806	7.2
292.22787	2.9
293.21088	2.3
309.04053	2.3
309.07501	4.5
309.11118	17.9
309.17279	1.8
309.20544	11.3
309.24149	1.8
310.04779	1.7
310.11194	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03945	11.4
55.01867	11.0
55.05257	3.1
55.05508	49.2
57.03428	18.1
57.07070	5.3
59.04996	2.6
65.03943	2.8
67.05167	3.1
67.05501	50.4
69.03421	14.1
69.07065	29.5
69.35550	5.7
69.35966	14.6
71.04991	13.2
71.96008	1.7
73.02888	2.7
79.05491	77.5
81.03416	17.0
81.07050	73.9
83.04981	14.9
83.08611	25.4
85.02905	11.1
85.06537	12.0
85.98759	1.8
89.11758	1.7
89.73548	2.1
91.05470	40.1
93.07037	100.0
94.07339	2.3
95.04962	25.3
95.08598	43.6
95.09159	3.5
97.02875	4.3
97.06524	21.1
97.10163	32.9
99.08073	6.6
101.06037	2.1
104.03746	1.9
105.07026	28.2
107.04951	12.2
107.07883	2.2
107.08592	32.6
109.02865	2.5
109.06506	23.2
109.10136	22.1
111.04421	2.6
111.08064	8.3
113.06013	24.2
115.05380	2.5
117.07001	14.3
119.04949	8.8
119.08572	21.9
121.06488	6.5
121.10136	41.7
123.04404	3.2
123.08070	19.7
123.11711	9.7
125.05953	2.2
125.09619	28.0
127.03942	2.1
129.05490	3.6
129.07002	6.3
131.08566	19.2
133.06456	2.6
133.10124	18.1
133.37442	2.4
135.08025	13.2
135.11667	13.2
137.09602	7.0
137.13249	3.3
141.07002	2.3
143.08559	6.6
145.06485	2.2
145.10103	9.4
147.04398	30.6
147.08020	5.6
147.11678	9.0
149.09624	6.1
149.13275	9.6
151.11214	3.7
153.09088	3.3
157.10091	7.2
159.11646	9.2
161.09608	6.0
161.13431	1.9
163.11182	4.3
164.77837	2.1
165.09094	2.7
169.10155	2.9
171.08031	2.1
171.10342	2.5
171.11752	5.8
173.05983	4.1
173.13330	5.5
175.11151	4.0
175.14955	3.1
177.05511	4.6
177.12775	3.5
185.13303	5.0
187.07562	4.7
187.11180	7.0
189.11221	29.2
189.12749	2.4
189.16383	4.6
195.13896	2.9
199.11232	2.2
199.14809	6.0
201.12820	2.2
205.12213	3.8
217.15836	8.7
219.13846	3.5
221.15370	3.3
223.13199	9.3
235.16881	4.8
241.14626	2.0
245.18980	2.5
249.14977	4.7
255.17474	3.1
263.20197	2.6
266.21121	2.3
273.18497	27.6
291.16479	3.9
291.19553	48.4
291.26816	2.4
292.19952	3.1
309.04251	2.4
309.07513	7.0
309.11084	10.6
309.20566	27.8
309.27844	8.8
310.11185	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
52.99519	2.8
53.03936	8.5
54.61347	3.1
55.01867	5.4
55.05507	14.6
57.03439	39.9
67.05500	51.6
69.03434	5.8
69.07066	17.9
70.87968	8.2
70.88323	3.4
71.05004	22.6
72.49103	3.1
79.05487	71.1
81.03401	11.1
81.07051	79.1
83.04977	11.2
83.08625	6.1
85.02908	3.9
85.06547	14.0
87.04464	10.8
87.59048	2.7
91.05467	44.3
93.07040	100.0
95.04960	17.2
95.08599	58.8
97.06522	12.1
99.08072	4.7
101.06035	8.4
105.07027	50.6
107.04948	7.9
107.08592	56.1
109.06514	24.4
109.10149	15.1
111.08107	8.7
115.03926	8.6
117.07003	18.6
119.08583	37.6
121.06550	5.2
121.10171	20.5
123.08071	12.5
129.06993	4.9
131.08586	34.0
133.10130	24.6
135.08049	6.1
135.11694	10.8
137.09601	5.9
141.05432	7.4
143.08591	3.5
145.02837	4.3
145.06555	4.2
145.10112	22.7
147.04428	7.3
147.11673	28.1
149.13255	9.9
151.11159	5.6
157.10139	7.5
159.10326	5.6
159.11684	23.5
161.09593	3.7
161.13301	9.6
171.11681	11.4
173.13287	35.7
175.14825	6.0
177.05431	4.0
177.12720	5.2
181.37408	3.4
183.11577	3.7
185.13277	5.4
189.16400	7.8
191.14354	7.7
199.14774	4.8
207.17427	5.3
219.13844	4.1
225.14908	5.3
227.17961	11.7
237.14821	63.0
238.15361	3.4
245.18988	17.7
263.20035	26.6
273.18515	6.3
291.19559	86.2
291.72894	3.5
292.19733	4.2
309.07535	6.6
309.20566	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.03768	1.2
53.03939	4.0
53.45482	1.1
55.01864	8.6
55.05502	32.0
57.02630	1.4
57.03431	40.5
57.07073	10.9
59.04986	3.6
59.24182	1.1
65.03927	1.7
67.05496	48.2
69.03418	10.0
69.07060	42.0
69.39373	8.5
69.39792	4.5
70.07413	1.4
71.04983	15.8
71.08615	3.1
75.04465	2.3
79.05485	46.3
81.01437	1.1
81.03411	6.6
81.07048	100.0
82.07365	4.6
83.04964	5.6
83.07753	1.2
83.08600	19.8
85.02892	12.6
85.06535	30.2
85.10165	1.9
91.05470	33.0
93.07033	53.5
94.07398	1.3
95.04957	19.0
95.08598	55.0
96.08941	2.9
97.02885	6.2
97.06520	11.3
97.10162	19.6
98.98481	2.4
99.08080	90.8
100.08414	2.1
103.05443	1.6
105.07018	27.7
106.07396	1.4
107.04945	12.5
107.08584	38.8
109.02850	1.5
109.06509	14.2
109.10147	38.4
110.10516	1.6
111.04436	1.4
111.08073	10.1
111.11688	5.2
113.06002	11.2
113.09630	2.1
117.03354	2.2
117.07006	10.1
119.04921	10.9
119.08568	19.4
121.02868	3.0
121.06500	9.7
121.10124	32.2
122.10497	1.7
123.04417	2.8
123.08048	11.1
123.11689	19.0
124.12021	2.1
125.09622	13.5
127.03896	3.9
127.07540	34.4
128.06204	2.3
129.05531	1.3
129.07024	6.5
131.08556	14.2
133.06473	2.4
133.10107	16.1
134.10468	1.5
135.08038	7.7
135.11676	19.5
137.05934	1.8
137.09619	4.2
137.13213	6.5
137.93846	1.3
139.11169	5.5
143.08527	5.6
143.10661	1.8
145.02831	4.0
145.06459	3.9
145.10086	9.7
147.04391	55.6
147.08105	6.4
147.11678	7.5
148.04706	2.5
149.09619	7.8
149.13225	16.6
151.11169	2.5
151.14818	2.1
153.09047	1.5
153.12738	3.9
155.08542	1.8
157.10103	5.7
159.07986	3.1
159.11684	5.6
161.09579	7.9
161.13272	3.5
163.03769	1.6
163.07545	2.1
163.11162	5.2
163.14795	9.2
165.09172	1.7
167.14278	3.6
169.10094	1.9
171.11673	4.5
173.05971	1.5
173.09508	2.2
173.13249	4.6
175.11194	4.1
175.14836	4.0
177.05444	11.8
177.12666	3.1
177.16368	4.4
179.10645	3.9
181.12207	1.5
183.11734	2.3
185.13220	4.7
187.11197	2.3
189.11205	6.1
189.16376	2.0
191.14330	3.1
195.13779	1.8
199.14838	4.9
201.12732	4.1
203.14349	1.8
205.12230	2.6
207.13722	2.9
209.19003	1.6
217.15807	10.5
219.13786	6.1
221.15387	4.7
223.13222	3.2
226.06001	1.5
231.62604	1.3
235.16870	5.0
245.19040	3.9
249.14854	3.9
255.17445	4.6
263.20026	4.2
267.06531	1.9
273.15784	2.5
273.18488	29.3
273.25531	4.5
274.19012	2.4
281.08313	2.9
281.11713	11.1
291.19522	57.7
291.26563	10.6
292.19751	3.8
309.07468	21.0
309.11151	25.9
309.20590	31.3
309.27792	21.5
310.07886	2.7
310.11331	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03931	5.7
55.01867	12.2
55.05506	35.9
57.03436	61.9
57.07070	4.3
59.04989	2.7
65.03928	3.0
67.05500	67.1
68.66984	2.0
68.93856	2.7
68.94192	3.0
69.03427	7.9
69.07057	33.1
70.16484	12.5
71.04993	17.7
75.04482	5.1
79.05051	4.6
79.05491	71.7
81.03409	10.4
81.07051	100.0
83.04973	9.6
83.08612	19.3
85.02914	12.9
85.06548	17.7
90.83829	2.5
91.05479	50.8
93.04070	2.3
93.07037	67.7
95.04965	33.3
95.08601	80.5
97.02846	3.5
97.06531	40.1
97.10168	9.9
99.08091	35.7
100.11266	4.4
105.07028	49.1
107.04952	15.1
107.08588	70.1
109.06507	31.2
109.10143	31.0
111.04463	3.7
111.08076	11.6
113.05993	11.9
113.09602	3.2
115.05418	4.6
115.07609	3.2
115.72953	2.7
117.07006	28.8
119.04938	2.4
119.08575	39.2
121.06499	9.2
121.10148	29.6
123.08024	12.9
123.11715	8.8
125.09624	4.8
127.07543	16.7
128.06258	4.1
129.05508	2.8
129.06973	16.3
129.12669	2.5
130.72890	2.5
131.08562	29.3
133.06494	6.8
133.10146	31.0
135.08060	25.5
135.11665	14.7
137.09602	7.8
139.11180	3.5
141.09039	4.1
142.07707	2.4
143.08557	11.5
144.09158	3.0
145.10123	28.4
147.04404	9.8
147.08040	11.2
147.11723	16.5
149.09610	10.3
149.13251	10.7
151.11160	12.5
153.09033	3.3
155.08514	3.0
157.10146	10.4
159.10182	14.0
159.11700	14.9
161.09624	13.8
161.13289	6.4
163.11214	4.6
163.14836	3.1
165.12636	4.2
171.11690	11.3
173.09566	5.7
173.11917	2.7
173.13190	11.6
175.11221	6.1
175.14835	3.7
177.05574	4.2
177.12778	4.0
179.10629	5.3
182.15462	2.6
183.11722	7.7
185.09547	2.8
185.13246	5.0
186.62775	2.7
187.11211	3.2
189.12787	5.2
189.16356	4.5
195.13834	4.0
197.13319	2.9
199.14818	10.0
201.12756	7.3
205.12369	3.3
217.15865	26.0
219.13802	14.0
221.15364	8.2
223.13393	3.7
224.18260	3.3
227.17911	9.1
231.08990	5.1
233.15480	5.2
235.16934	7.4
237.16444	3.5
245.19083	8.5
246.71153	5.1
249.14824	6.3
251.16489	3.4
255.17465	8.2
263.20114	23.9
273.18484	49.8
274.18729	3.6
291.19513	77.8
291.22852	3.8
292.19778	3.1
296.24579	10.3
309.07501	13.8
309.10907	4.9
309.20523	45.2
310.24442	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.73810	2.1
53.03931	7.1
55.01867	18.2
55.05505	30.5
57.03419	5.5
57.07056	5.6
59.04998	2.8
64.88840	2.2
67.05498	70.6
69.03410	8.8
69.06717	2.4
69.07057	30.9
69.61324	6.9
69.61749	9.0
71.04984	12.4
71.08633	2.7
76.65928	2.0
77.18578	1.8
79.05051	3.9
79.05486	49.7
81.03395	7.0
81.07048	91.9
82.07375	2.9
83.01334	2.6
83.04973	15.1
83.08596	11.3
85.02919	4.9
85.06527	8.6
91.05470	53.0
91.99026	1.9
93.07033	51.1
95.04967	18.1
95.08600	47.1
97.06496	11.1
97.10146	8.7
98.20744	4.3
98.98434	2.1
99.04411	5.4
99.08054	4.8
102.08619	2.0
103.05470	2.1
105.07019	58.9
107.04945	11.7
107.08588	57.6
107.69367	2.0
109.06522	13.7
109.10146	79.7
111.04412	8.2
111.08096	10.9
113.05974	3.3
117.07008	8.3
119.04963	2.2
119.08565	16.4
121.06520	11.6
121.10133	15.3
123.04400	6.5
123.08070	13.8
123.11711	16.8
125.05965	3.7
125.09615	5.9
127.07561	5.0
128.06157	3.9
129.07007	5.3
131.08569	14.3
133.06532	9.7
133.10118	100.0
135.08028	10.9
135.11642	10.2
137.05917	2.4
137.09627	5.9
137.13272	3.1
139.07535	9.7
141.06993	2.1
142.07713	2.2
143.08531	7.8
145.06493	2.6
145.10095	10.7
147.08040	11.5
147.11665	6.8
149.09642	11.9
151.11165	67.0
157.10112	4.8
159.11707	5.7
161.09642	12.1
161.13205	3.0
163.07489	2.7
163.11172	7.0
165.09160	2.7
169.10063	2.4
169.12206	22.0
171.11720	6.0
175.11172	8.4
177.09123	2.4
179.10666	5.0
179.14192	3.1
181.08539	2.9
185.13203	3.2
189.12743	5.0
195.10097	3.1
199.11224	2.0
203.14339	3.1
207.13716	3.6
215.12831	6.2
216.82797	2.3
217.12247	3.3
221.13055	2.3
227.17992	3.9
245.19008	17.6
249.14777	3.1
255.17348	3.9
257.20334	2.2
263.20020	15.7
269.12146	2.5
273.18448	42.7
291.19516	73.2
292.19827	4.1
309.07242	3.0
309.10794	7.4
309.20526	28.7
310.04623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Albocycline
Peak:m/z	Relative Intensity
52.07372	0.6
53.03931	1.5
55.01883	4.2
55.05505	21.8
57.03421	1.4
58.46686	0.6
59.04987	0.9
59.37868	0.6
63.17740	0.6
65.03905	0.8
67.05169	1.1
67.05499	18.1
69.03426	4.1
69.07059	11.2
70.41908	3.0
71.04964	1.4
79.05486	12.0
81.03412	3.0
81.06572	1.2
81.07048	20.7
83.04961	3.7
83.08609	10.7
85.06504	0.8
88.16695	0.7
91.05466	7.2
93.07041	10.7
95.01308	0.9
95.04971	4.6
95.08585	8.3
97.02863	2.0
97.06513	2.2
97.10158	18.2
105.07005	7.2
107.04948	2.3
107.08596	10.1
109.02851	1.4
109.06506	1.5
109.10159	5.4
109.32291	0.8
111.04399	0.9
111.08064	2.3
117.06997	2.7
119.08568	7.1
121.06493	1.4
121.10122	3.9
123.08075	4.8
123.11699	1.1
125.09618	12.9
129.07011	1.8
129.21817	0.8
131.08554	3.9
133.06429	2.6
133.10114	1.5
135.08006	2.6
137.09586	1.3
143.08543	1.5
145.10110	2.8
147.08035	3.2
147.11653	2.5
149.09605	1.8
153.09074	1.7
156.97476	1.4
157.10138	1.6
159.11646	1.2
161.09621	1.6
162.10376	1.2
163.11119	1.3
165.09070	2.0
171.10165	0.9
174.98555	0.9
175.11082	1.1
187.07539	1.0
189.11223	8.2
213.00098	1.7
220.47388	0.8
223.13327	5.7
245.18996	1.4
249.14835	0.8
255.17377	1.3
266.07809	1.6
267.08783	0.8
273.18484	9.4
291.19513	100.0
292.19879	3.5
294.08017	0.9
301.01517	2.0
309.10004	1.0
309.13196	1.2
309.20602	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	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01853	6.9
55.05497	4.7
56.77247	1.5
57.03431	33.9
63.56489	1.4
65.03940	1.7
67.05492	25.0
68.48509	1.5
69.03410	2.3
69.07051	3.3
71.04977	3.5
71.17262	4.0
79.05481	11.6
81.07041	10.6
85.06537	31.9
86.81676	1.5
91.05467	11.5
93.07040	10.3
94.02003	1.4
95.04955	35.6
95.08590	8.3
97.06554	2.3
105.07012	5.4
107.04953	3.1
107.08575	9.7
109.06514	40.3
109.10162	2.4
113.05992	100.0
114.06332	2.2
117.07000	4.8
119.08585	5.7
121.10155	5.2
123.08071	1.6
129.06984	2.8
131.08606	8.3
132.44066	1.6
133.10114	3.0
135.08040	34.1
135.11707	2.4
143.08543	3.7
145.10106	4.4
147.08125	2.1
149.09589	4.3
157.10104	4.0
159.11671	2.9
161.09573	4.9
163.11139	1.8
165.94537	1.5
171.11697	2.5
177.12714	2.6
183.11621	2.1
199.14793	1.7
201.31906	1.6
204.64772	1.5
217.15846	12.6
219.13725	1.9
273.18433	12.6
291.19513	47.4
292.19760	3.1
309.20605	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03933	5.6
55.01857	5.8
55.05508	22.5
57.03430	18.3
57.07061	4.7
66.19087	1.6
67.05502	51.6
69.03404	3.1
69.07066	18.9
70.04076	2.0
70.27626	7.9
71.04990	3.7
71.08578	1.9
75.04475	2.3
79.05489	76.1
81.03408	2.0
81.07052	66.6
83.04969	6.5
83.08611	15.2
85.02889	6.8
85.06531	6.1
86.69441	1.6
90.20437	1.6
91.05475	90.6
91.67720	1.7
92.05743	2.0
93.07039	100.0
94.07375	2.0
95.04957	15.8
95.08599	37.0
97.02906	2.1
97.06509	5.5
97.10155	9.2
99.08107	8.2
105.07024	51.9
107.04945	12.3
107.08586	51.5
108.20114	1.8
109.06516	10.8
109.10152	16.7
111.04429	1.8
111.08076	2.4
115.05428	4.0
117.07015	31.3
119.04974	4.3
119.08574	69.4
121.06482	6.9
121.09306	3.7
121.10132	50.3
123.04430	2.0
123.08099	10.2
123.11697	6.4
125.09611	6.3
126.08821	1.6
128.06194	3.5
129.05505	3.0
129.06990	15.7
131.08565	32.1
133.10124	54.8
135.08029	10.4
135.11679	10.0
137.09595	6.1
137.13219	1.9
141.06992	1.9
142.07797	2.6
143.08551	18.5
145.10107	17.1
147.04382	9.2
147.08040	8.3
147.11711	12.8
149.09584	2.8
149.13261	3.1
151.11168	4.5
153.09138	1.9
157.10135	21.7
159.11659	4.2
161.09608	3.2
161.13248	6.0
163.11183	2.4
163.14839	2.6
171.11674	10.6
173.06015	3.2
173.13248	7.2
175.11182	2.3
175.14795	7.1
177.05450	5.0
182.15413	5.4
187.07526	2.6
189.11194	5.3
189.12720	4.0
189.16396	21.5
199.12944	2.6
199.14830	48.8
210.14836	5.5
217.15863	74.6
218.16202	4.6
219.13777	3.9
227.17828	2.4
235.16914	8.7
245.18922	2.1
249.06859	2.0
263.19983	2.3
273.18433	14.3
273.25711	5.4
291.19516	47.5
291.26715	2.7
309.04218	2.8
309.07492	7.4
309.11197	12.0
309.16974	2.1
309.20563	36.4
309.27896	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	309.2056
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03937	1.0
54.08261	0.5
55.01867	2.3
55.05507	7.7
55.34930	0.5
57.03437	3.0
65.03951	0.5
67.05498	18.4
69.03419	0.7
69.07058	6.1
70.22356	2.6
71.04987	1.6
79.05488	15.7
81.03416	0.9
81.07049	12.3
83.04966	3.3
83.08607	1.5
85.06540	1.3
91.05465	5.4
93.07040	8.5
95.04960	6.0
95.08598	100.0
96.08941	1.7
97.06526	4.7
97.10152	0.6
105.07024	6.4
106.67036	0.6
107.04949	2.1
107.08583	14.4
109.06496	1.4
109.10162	1.6
113.09666	0.9
117.06989	0.9
119.08563	2.0
121.06410	0.7
121.10098	2.6
123.08048	7.6
123.11689	2.3
131.08545	1.0
133.10156	2.7
135.11632	1.1
139.11142	1.0
141.09100	7.3
143.08585	0.6
145.10080	0.9
147.11687	1.5
149.09602	1.5
151.11172	1.2
157.12169	1.0
157.24605	0.5
159.10156	68.4
160.10521	2.2
169.12248	0.9
173.05853	0.5
187.07449	0.6
197.15352	3.6
263.20056	11.2
264.20428	0.7
266.08038	1.0
267.08789	0.6
272.09955	0.5
273.18399	0.6
291.19473	1.7
294.07669	0.6
309.07440	1.6
309.10876	1.9
309.17413	0.8
309.20615	8.8
310.07498	0.9
310.10715	1.3
310.20874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.81505	2.4
53.03943	10.5
55.01860	7.5
55.05502	9.6
57.03428	8.1
57.07069	3.6
58.06599	4.8
63.47660	2.2
65.03932	2.7
67.05498	34.8
69.03424	4.1
69.07063	21.8
70.04089	3.2
71.04978	5.1
71.61780	3.7
79.05482	22.5
81.03413	31.3
81.07055	41.9
82.42037	2.0
83.04984	7.0
83.08605	7.2
85.02894	7.1
85.06534	4.7
89.31904	2.1
91.05478	27.5
93.07041	35.3
95.04961	25.0
95.08595	24.2
97.06520	6.6
97.10170	2.7
98.98458	2.4
99.08060	2.8
105.07005	18.1
107.04950	8.0
107.08616	14.7
109.06519	18.5
109.10155	8.0
111.04452	6.5
111.08091	4.5
115.05460	5.0
117.07039	6.7
119.04908	2.5
119.08587	12.8
121.06491	2.6
121.10133	10.7
123.04429	18.3
123.08062	4.3
123.11764	3.9
128.06216	2.9
129.07043	5.8
131.08553	12.1
133.06477	3.8
133.10127	8.7
135.08041	10.2
135.11723	4.4
137.09633	2.3
143.08594	5.1
145.06461	14.6
145.10101	5.8
147.04366	2.6
147.07953	2.4
147.11687	9.8
149.09579	4.8
157.10150	8.4
159.11772	3.5
171.11690	3.8
173.05963	55.7
174.06512	3.8
175.11232	4.3
177.12881	2.3
187.07536	56.6
188.07803	2.8
193.12227	33.1
199.07468	12.7
211.13322	9.0
217.15926	3.3
263.19989	27.5
264.20297	2.9
265.07312	2.5
266.07880	9.4
267.08899	7.3
273.18527	6.3
291.19547	19.1
294.07687	4.9
309.07648	4.8
309.11206	100.0
309.20612	23.4
309.23944	3.2
310.11078	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01862	1.1
55.05506	5.5
57.03431	3.2
57.07071	1.3
59.04988	0.7
61.02908	0.5
61.51701	0.4
67.05497	5.6
67.85331	0.4
69.03407	1.3
69.07059	6.1
71.04988	4.8
71.08620	0.6
71.12841	0.8
71.13185	1.0
72.08127	0.6
73.02902	0.5
75.04462	1.8
79.05482	5.1
81.03400	1.4
81.06579	0.6
81.07051	14.2
83.04957	1.9
83.08620	4.1
85.02899	17.1
85.06520	1.3
87.04459	0.5
91.05473	4.1
93.07040	6.8
95.04946	2.0
95.08598	10.9
97.02862	2.1
97.06508	1.4
97.10162	3.9
99.04447	0.7
99.08055	1.1
105.07014	3.4
107.04939	0.5
107.08584	4.7
109.06507	0.9
109.10147	7.1
111.04466	0.5
111.08047	1.2
111.11703	0.5
117.07003	0.7
119.08575	2.8
121.10139	4.0
123.08038	1.6
123.11705	3.0
124.29778	0.5
125.09606	1.8
125.13260	0.6
127.03896	0.9
129.05472	3.9
129.06963	1.0
131.08554	1.0
133.10098	1.8
133.17412	0.5
135.08049	0.6
135.11694	2.5
137.09639	0.8
137.13220	1.8
143.08597	0.9
145.02769	0.7
145.10138	1.2
147.04413	5.4
147.06534	2.4
147.11659	1.3
149.09621	0.6
149.13225	2.5
157.10112	0.6
161.09540	0.5
161.13216	1.2
163.14784	1.0
173.13252	0.5
175.14755	0.6
177.05479	1.8
177.16342	1.0
181.10078	0.5
189.11203	1.3
202.97795	0.5
266.08002	0.8
273.18439	1.1
273.25763	1.2
291.19489	2.0
291.26770	1.7
309.07758	4.4
309.10989	3.6
309.16684	100.0
309.28339	2.6
310.04617	1.4
310.07782	0.8
310.11115	0.7
310.16980	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	309.1804
Annotation	(-)-Bestatin
Peak:m/z	Relative Intensity
53.03950	0.3
55.01866	0.9
55.05501	3.3
55.34111	0.4
56.05003	0.8
56.96555	0.5
57.03436	0.4
58.06591	2.1
59.04971	0.8
60.04505	0.6
60.05391	0.5
60.05643	4.4
61.02913	0.5
65.03928	0.6
67.05499	3.8
68.05010	1.1
69.03433	1.8
69.07060	0.8
70.06586	11.7
71.04971	1.3
71.62017	0.7
72.08149	33.0
73.06454	1.2
73.08467	1.7
74.06052	0.5
79.05488	1.2
80.05021	1.0
81.03404	0.9
81.07043	1.3
82.06581	4.2
83.04964	0.5
84.04490	1.5
84.08132	6.2
85.02901	2.7
86.06063	1.3
86.07205	0.7
86.09701	2.2
87.07964	0.6
89.10785	3.7
91.05472	3.5
93.03452	0.3
93.05788	0.5
93.07035	0.6
94.06562	18.2
94.07172	0.9
95.01311	0.4
95.04948	1.1
96.04471	0.8
96.08125	3.5
97.02856	0.7
97.06532	3.6
97.07639	1.1
98.06046	3.9
98.09081	0.6
98.09685	8.7
98.97575	0.7
98.98465	0.4
99.04360	0.4
100.07614	3.2
100.24427	0.4
101.05987	1.2
103.05434	1.1
105.07034	0.6
107.04924	2.3
108.08090	1.7
109.02843	0.4
109.06510	0.5
110.06046	2.1
110.07162	2.6
111.04410	0.7
111.08070	0.7
112.07596	10.9
112.08729	0.9
113.02362	0.5
114.09151	1.0
114.10281	4.4
115.08688	2.5
116.08169	0.9
116.98579	0.7
117.70345	0.4
118.06490	0.5
119.04939	7.7
120.08071	0.8
121.02858	3.8
121.06525	0.5
122.06018	0.9
123.04432	1.2
124.07607	0.8
124.11200	0.8
125.05977	0.4
126.09119	0.9
127.03934	0.5
127.09818	1.4
128.07063	1.9
128.08141	0.4
129.10176	0.6
130.06511	0.4
130.08655	0.7
131.04900	1.9
131.07095	0.7
131.12920	2.1
132.04466	0.6
132.08066	0.6
132.95763	0.6
133.02812	0.9
133.06522	0.6
134.03564	0.5
134.05943	0.8
134.09642	1.1
134.99626	0.7
135.04395	1.0
136.07571	2.6
136.11205	0.5
138.05493	1.2
138.09128	1.7
139.07500	0.8
140.07039	0.8
142.08636	4.3
144.08115	0.7
145.02826	0.5
145.06480	0.8
146.06009	1.1
147.04395	36.8
148.04745	1.5
148.07538	2.0
149.05927	1.0
150.05511	0.4
150.09093	0.7
150.12749	0.4
150.96924	0.7
151.03926	0.5
152.07021	0.7
154.08600	1.0
156.06557	5.6
157.10904	0.8
158.06041	1.1
159.04471	0.8
160.07594	0.6
161.05945	0.7
161.09604	0.4
162.05489	1.0
162.09125	1.6
163.03889	5.2
164.04366	0.6
166.08606	1.4
168.10196	1.0
173.05975	0.7
174.07623	15.5
174.09035	0.7
175.03925	2.6
176.07132	0.5
177.05455	0.9
178.04897	0.4
179.03384	1.4
180.10146	0.7
182.09590	0.4
186.05484	2.0
188.07193	0.6
188.10818	0.4
192.10156	0.7
193.04919	1.7
195.08035	0.4
198.11261	0.6
200.10815	0.5
202.05006	0.7
202.12337	0.8
203.03427	0.8
203.11768	1.1
204.10184	0.6
211.12492	0.5
212.10680	0.9
213.12425	0.5
216.10219	1.7
218.11768	2.3
219.14961	1.0
221.06393	0.4
226.10851	0.5
229.13293	1.7
230.11763	0.9
232.09747	0.7
234.11211	0.7
235.07460	0.5
235.14499	1.5
241.13258	0.9
245.16515	1.2
247.18100	0.4
249.15912	0.6
250.10611	0.6
251.13718	0.4
255.12320	0.5
257.12823	1.1
259.14413	4.8
263.14789	0.7
263.17490	3.9
265.19104	1.0
274.10669	0.5
275.14963	0.7
277.16202	1.5
289.15500	3.9
291.13617	3.8
291.17001	35.6
291.20306	1.7
292.11899	0.6
292.17221	0.7
293.16052	1.2
308.65839	0.6
309.14780	7.8
309.18082	100.0
309.21399	4.9
309.66302	0.6
310.18274	1.5
316.17581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30866	0.7
53.03952	0.8
55.01854	0.9
55.05505	7.2
57.03433	11.8
57.07072	2.0
59.05004	2.4
61.02914	2.6
67.05489	6.0
69.03418	4.4
69.07063	8.7
70.09026	2.6
70.09425	1.3
71.01353	2.2
71.04992	22.6
73.02921	5.0
75.04472	15.9
79.05488	4.3
81.03413	1.4
81.07050	17.9
83.04984	5.8
83.08603	2.8
84.08134	1.1
85.02899	100.0
85.06541	4.4
87.04454	2.0
91.05477	3.8
93.07031	6.8
95.04942	1.6
95.08598	13.1
97.02880	10.1
97.06531	2.0
97.10169	2.4
99.04440	1.8
99.08086	3.0
101.06005	2.3
103.05534	1.0
105.07014	2.9
107.04945	1.3
107.07926	1.2
107.08586	8.5
109.02837	1.6
109.06556	1.7
109.10144	8.6
111.04431	3.9
111.08080	2.4
111.11701	2.1
113.09630	1.1
116.35293	0.9
117.03450	1.0
119.04930	5.0
119.08561	3.3
121.10149	4.1
123.11729	5.0
123.35067	0.9
125.09605	1.3
126.12964	0.9
126.67391	0.9
127.03901	5.2
129.05467	27.0
133.10129	1.9
135.11722	3.2
137.13257	1.8
139.11119	1.2
145.02841	3.3
145.04938	1.1
147.04425	18.6
147.06511	18.2
147.08395	0.9
147.11659	1.9
147.49341	0.9
149.13240	4.6
153.12730	1.5
161.13301	1.2
163.14861	1.4
165.07614	1.3
167.14270	1.3
169.81618	1.0
177.05473	7.5
187.81152	0.9
196.70836	0.9
197.70169	1.0
273.25620	1.0
277.08435	1.3
291.19580	1.6
291.26724	3.6
309.04019	2.0
309.07474	3.3
309.11307	6.9
309.21960	1.3
309.27838	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	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17865	0.8
55.01862	2.3
55.05505	7.1
56.05020	1.4
57.03434	10.2
59.04990	1.4
61.02927	2.1
61.18577	0.8
65.03944	0.9
67.05513	2.0
69.03428	6.2
69.07068	1.3
70.06592	6.2
71.01349	1.7
71.04989	23.3
71.61813	1.2
72.07748	1.2
72.08148	20.9
72.33488	0.9
73.02915	4.5
75.04471	11.7
79.05450	2.0
81.03405	3.6
81.07030	2.7
83.04971	7.3
84.04503	1.3
84.08146	4.3
85.02901	100.0
85.06532	1.3
85.08486	0.9
86.06082	2.0
86.09698	3.1
87.04470	2.5
89.10796	1.7
91.05446	4.6
93.07011	1.7
95.04960	2.1
95.08598	1.1
96.08125	1.3
97.02880	7.6
97.06554	1.0
98.06052	2.8
98.09696	4.3
98.97533	1.1
99.04448	2.7
100.07676	1.0
101.06004	2.5
103.03919	2.1
105.06998	2.4
107.04942	3.0
107.08604	1.6
109.02869	5.3
109.10152	0.9
110.02390	2.3
110.06009	1.5
110.07149	1.0
111.04414	4.2
115.03899	1.1
116.98660	1.0
117.03394	1.2
119.04945	6.2
119.08567	1.5
120.05220	0.8
120.08099	2.7
121.02892	1.1
121.10128	1.7
122.06038	1.0
123.04448	1.3
124.07603	2.1
127.03913	5.8
129.05472	22.6
131.08556	1.1
133.10072	1.3
136.07581	2.1
137.05972	2.0
138.05528	1.0
140.07098	1.1
145.02812	1.6
145.04935	1.9
146.11783	0.8
147.03223	1.3
147.04411	24.4
147.06464	11.0
147.09143	1.4
148.04773	3.5
149.05974	1.2
151.03976	1.0
152.07072	5.3
153.07384	1.1
154.08641	3.9
161.05989	1.5
163.03865	1.8
165.05376	1.0
165.07433	1.8
167.06979	1.1
167.98114	0.8
171.06573	0.9
172.09772	1.3
175.03929	1.1
175.07559	1.1
176.06984	1.0
177.05507	6.4
182.08165	0.8
189.00677	0.8
192.99538	30.4
204.10281	1.3
207.06432	1.1
208.02901	1.6
210.02199	1.3
211.00645	2.3
218.11787	2.7
219.01906	1.2
220.96909	1.5
220.99030	28.0
223.00676	1.1
228.10287	1.0
231.06468	1.4
231.08553	1.2
233.20113	2.6
235.14441	1.1
238.01703	1.6
245.08105	1.1
245.12769	1.3
255.08868	0.9
260.11526	0.8
263.21313	1.0
273.09692	1.0
273.12311	2.5
277.08575	1.0
291.13458	8.1
291.16519	1.7
292.06396	20.4
300.15033	1.7
308.66562	1.9
309.08975	13.3
309.14468	8.2
309.17932	10.5
309.21689	14.3
310.09375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40213	0.9
53.03934	1.2
55.01868	2.0
55.05503	5.9
57.03426	9.4
57.07091	1.1
61.02919	3.2
67.05492	3.4
69.03419	1.9
69.07047	2.9
69.31710	11.6
69.32012	0.9
71.01353	1.5
71.04984	18.8
71.05363	1.9
73.02911	4.5
75.04082	1.6
75.04475	13.3
79.05484	3.3
81.03436	2.3
81.07053	5.3
83.04953	6.2
83.08607	1.7
85.02894	100.0
86.03217	1.1
86.06073	1.4
87.04441	1.6
91.03945	1.1
91.05468	3.1
93.07028	4.2
95.04951	2.2
95.08600	5.7
97.02875	3.3
98.20782	1.9
99.04438	1.3
100.50372	0.9
101.06005	1.6
103.03886	1.0
105.07006	3.5
107.08590	3.8
109.02890	1.1
109.10152	2.0
111.04454	3.2
117.06970	1.4
118.66563	0.9
119.08573	2.5
121.10136	3.7
123.08074	1.4
127.03914	3.0
129.05464	19.2
133.10118	2.1
135.11766	1.1
145.04951	2.7
147.04446	1.7
147.06491	15.4
157.10133	1.1
165.07579	1.4
199.14914	1.1
217.15849	1.3
250.10168	1.0
273.18500	1.4
291.19699	3.5
300.23682	1.1
309.07550	6.0
309.10913	1.6
309.20670	2.9
310.04633	1.8
328.60114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40213	0.9
53.03934	1.2
55.01868	2.0
55.05503	5.9
57.03426	9.4
57.07091	1.1
61.02919	3.2
67.05492	3.4
69.03419	1.9
69.07047	2.9
69.31710	11.6
69.32012	0.9
71.01353	1.5
71.04984	18.8
71.05363	1.9
73.02911	4.5
75.04082	1.6
75.04475	13.3
79.05484	3.3
81.03436	2.3
81.07053	5.3
83.04953	6.2
83.08607	1.7
85.02894	100.0
86.03217	1.1
86.06073	1.4
87.04441	1.6
91.03945	1.1
91.05468	3.1
93.07028	4.2
95.04951	2.2
95.08600	5.7
97.02875	3.3
98.20782	1.9
99.04438	1.3
100.50372	0.9
101.06005	1.6
103.03886	1.0
105.07006	3.5
107.08590	3.8
109.02890	1.1
109.10152	2.0
111.04454	3.2
117.06970	1.4
118.66563	0.9
119.08573	2.5
121.10136	3.7
123.08074	1.4
127.03914	3.0
129.05464	19.2
133.10118	2.1
135.11766	1.1
145.04951	2.7
147.04446	1.7
147.06491	15.4
157.10133	1.1
165.07579	1.4
199.14914	1.1
217.15849	1.3
250.10168	1.0
273.18500	1.4
291.19699	3.5
300.23682	1.1
309.07550	6.0
309.10913	1.6
309.20670	2.9
310.04633	1.8
328.60114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.05499	0.4
57.07064	0.4
57.53669	0.2
58.02962	0.3
66.04706	0.3
67.05486	0.7
69.03455	0.2
69.07050	0.7
70.04057	0.3
71.04982	0.2
71.08624	0.4
71.61930	0.3
74.84898	0.2
75.91701	0.2
79.05475	0.8
81.07059	2.3
83.04948	0.4
85.02899	0.3
85.06553	0.2
91.05467	0.7
93.07045	0.7
94.04163	1.6
95.04926	0.4
95.08595	1.0
97.10215	0.3
105.07023	0.3
105.12175	0.2
107.04971	0.3
107.08586	0.4
109.06528	0.6
109.10115	0.2
114.09169	0.2
119.08514	0.2
122.03640	4.9
137.05968	100.0
137.13243	0.8
138.06310	2.6
147.07976	0.2
147.11780	0.2
153.12685	0.2
155.14368	0.3
172.16902	1.4
184.16945	3.1
190.02063	0.2
219.76398	0.2
253.49738	0.2
263.20071	0.4
265.07330	0.8
291.19830	0.3
291.23111	0.5
308.06171	0.4
308.09448	0.4
308.14929	0.3
308.22141	0.5
309.07385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01844	0.5
55.05508	12.8
56.96561	0.4
57.03430	1.9
58.06593	0.9
59.05003	2.5
60.05621	0.4
61.02901	1.1
62.94380	0.4
69.03422	4.2
70.06577	0.7
71.04971	1.0
71.39632	0.8
72.08142	0.7
73.02904	1.9
75.04439	0.4
81.03410	2.7
82.06573	7.5
83.04973	7.4
84.08138	35.7
85.02902	12.4
85.03420	0.5
85.06524	1.3
86.06045	1.3
87.04456	2.4
97.02876	2.4
98.09679	1.6
98.97580	2.2
99.04436	1.6
100.07617	4.0
100.11230	2.2
101.06012	39.9
109.02865	1.5
111.04376	0.5
115.03870	0.5
116.98603	1.4
119.01846	0.7
127.03880	3.0
128.07117	0.8
128.10706	21.8
128.98599	0.5
131.00102	0.6
143.06935	0.4
144.10175	0.8
145.04990	1.0
146.08157	4.5
146.09262	1.0
146.11746	33.6
147.04402	0.7
173.01181	1.7
188.12814	1.6
191.02191	1.3
191.03822	0.3
218.13911	0.5
230.13908	0.6
248.12735	0.5
248.14877	2.3
254.13789	0.4
262.12793	0.7
267.03833	0.5
272.14923	2.4
290.16006	11.6
291.04013	0.6
308.13791	9.0
308.17020	100.0
309.14551	0.6
309.17407	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	308.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57455	0.4
55.01860	0.8
55.05497	2.2
56.96545	0.9
57.03416	1.5
58.06589	0.4
59.04998	0.9
61.02921	1.3
65.03925	0.7
67.04239	2.7
69.03140	0.4
69.03429	4.7
69.07067	0.4
70.04059	0.6
70.06594	1.2
71.04982	1.0
71.17471	0.6
71.17805	0.6
72.08141	3.3
73.02905	1.2
76.02211	1.6
80.05013	1.1
81.03426	2.5
82.06567	82.9
83.04967	1.8
84.04488	1.6
84.08131	10.4
85.02892	10.3
86.06062	1.4
86.09724	0.4
87.04462	2.3
89.19244	0.4
94.06602	0.4
97.02867	3.3
98.09676	0.7
98.97558	3.1
99.04444	0.9
100.07603	27.0
101.06000	6.7
103.03978	0.4
109.02892	1.9
110.06043	0.8
111.04420	0.5
112.07712	0.4
112.11230	1.0
115.03977	0.5
116.01688	0.4
116.07108	0.8
116.98629	2.1
119.01898	0.9
119.04955	0.5
124.69307	0.4
127.03905	3.5
128.07062	8.9
128.07939	0.6
128.10695	4.4
128.98595	0.4
130.04945	0.5
133.03378	0.4
134.99663	0.7
140.07019	0.5
144.01103	0.5
144.10217	0.7
145.04973	1.5
146.02477	0.5
146.08104	38.9
146.11731	7.2
146.12781	0.8
147.04448	1.7
161.01381	0.5
161.02856	0.8
162.02245	0.6
163.99678	0.4
173.01266	1.2
173.02791	0.6
173.53636	0.4
177.00757	0.8
179.04817	0.9
191.02257	1.7
191.03877	0.8
203.02414	0.5
207.05141	0.9
216.05708	0.7
219.01758	0.5
219.07796	0.5
222.78113	0.4
237.02826	0.4
248.14848	0.9
249.02974	0.4
262.12827	4.9
265.07391	0.8
267.03888	0.6
272.14850	0.8
287.06476	0.6
288.07834	0.7
290.12830	0.8
290.16037	1.9
295.08667	0.6
305.33786	0.5
308.13464	100.0
308.17014	19.5
309.13947	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	307.2625
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03941	1.7
55.01857	3.1
55.05502	20.7
57.03416	4.4
57.07070	9.6
60.04515	1.4
65.03914	1.7
67.05498	39.1
69.03417	4.2
69.07059	42.9
70.06602	3.2
71.04977	4.6
71.08607	4.3
72.08137	3.0
79.05481	30.1
81.03399	3.5
81.07048	100.0
83.04962	5.6
83.08611	17.3
83.61786	1.5
84.08122	3.7
85.02884	7.6
85.06524	15.1
91.05471	18.2
93.07036	44.3
95.04964	6.9
95.08597	89.3
97.02870	2.7
97.06514	7.3
97.10175	8.6
98.97563	2.1
99.08086	5.4
101.05968	2.7
103.03900	2.1
104.05372	1.5
105.06372	2.8
105.07021	34.1
107.04887	1.7
107.07851	2.3
107.08582	35.4
109.02857	3.3
109.06515	5.0
109.10144	55.0
111.08089	7.6
111.11710	7.8
113.09651	1.6
117.06967	3.2
118.77466	1.6
119.04949	1.5
119.08561	25.8
121.06465	1.7
121.10128	36.1
123.08051	6.6
123.11677	23.6
125.09615	5.6
127.03860	2.4
131.08534	7.2
133.10120	20.3
135.08029	3.5
135.11678	30.9
137.05978	1.6
137.09601	7.3
137.13237	8.1
139.11156	7.6
143.08493	1.9
145.02852	2.0
145.10095	8.8
146.11722	2.0
147.11673	19.2
149.13225	22.5
151.11185	3.1
151.14813	3.4
155.10611	2.7
157.10034	1.8
159.11684	12.0
160.37160	1.5
161.13228	15.7
163.11200	2.8
163.14827	12.9
165.12680	7.2
165.16394	2.1
167.14221	1.7
173.13252	4.9
175.14833	10.3
177.05533	3.8
177.12672	2.1
177.16368	6.8
179.14281	4.1
187.14807	5.6
189.16382	9.4
191.17952	3.0
193.15910	2.3
201.16331	4.0
203.17929	3.7
205.15808	2.1
207.17546	2.1
215.17908	7.7
217.19511	2.2
219.17482	1.6
229.31058	1.5
231.21031	2.0
233.18983	2.7
243.21080	1.9
245.22731	2.4
263.23608	3.4
265.07352	3.3
271.24167	26.9
272.24622	1.7
277.25391	2.0
289.25235	39.3
289.28329	3.0
290.25351	1.9
307.06003	2.1
307.09384	2.6
307.18976	3.0
307.26285	59.4
308.17017	4.6
308.26514	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	307.2629
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03923	1.9
55.01870	1.7
55.05257	1.4
55.05503	18.5
56.75174	0.8
57.03424	2.5
57.07071	8.8
59.04976	2.2
65.03922	1.7
67.05498	37.9
69.03407	2.5
69.07061	43.6
69.43081	9.5
70.06569	1.3
71.05008	4.2
71.08618	2.9
71.72634	0.8
79.05485	23.9
81.03389	2.4
81.07048	100.0
82.07393	1.2
83.04980	4.8
83.08616	16.4
85.06069	1.2
85.06541	16.7
85.83103	0.8
91.05468	13.6
93.07037	46.7
95.04955	8.3
95.08597	87.9
96.08902	2.2
97.06511	8.2
97.10160	11.6
99.08084	10.2
103.05430	1.0
105.07018	28.3
107.08586	37.4
109.06484	4.6
109.10146	52.4
111.08060	6.4
111.11705	8.5
113.05974	1.6
113.09621	4.0
115.07529	1.1
117.07001	2.5
119.08572	22.2
121.06482	2.5
121.10132	34.8
123.08090	5.9
123.11691	24.2
125.09579	5.5
125.13212	2.7
127.11183	2.5
127.66645	1.0
130.07771	1.1
131.08568	6.8
133.10123	17.9
135.08023	3.7
135.11679	28.9
137.09596	8.5
137.13223	8.7
139.11140	9.0
145.10110	10.6
147.11653	20.6
149.09639	1.8
149.13251	24.1
151.11171	3.4
151.14833	3.7
153.12761	1.9
155.10657	2.2
159.11705	8.7
161.13246	19.4
163.11185	1.9
163.14803	16.3
165.12750	6.5
165.16336	1.7
167.14305	1.5
173.13243	6.6
175.14778	12.6
177.05470	5.4
177.12695	1.0
177.16386	6.4
179.14272	5.3
179.17966	1.4
181.12169	1.3
181.15891	1.2
187.14832	4.8
189.16376	10.5
191.14256	1.6
191.17912	4.1
193.15849	2.5
195.17390	1.1
201.16405	3.6
203.17921	3.5
205.15749	1.7
207.17418	1.4
210.44794	0.9
215.17894	8.9
217.19551	1.7
219.17464	1.6
221.18932	1.0
229.19383	1.1
231.21048	1.9
233.18910	2.2
243.20959	1.2
245.22594	2.4
263.23798	2.2
264.54843	0.9
271.24146	21.7
277.25122	1.4
289.25226	44.4
290.25742	1.6
307.06195	1.8
307.09692	1.5
307.17838	3.5
307.26279	57.1
308.26578	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	1.3
55.01854	2.5
55.05507	11.9
57.03427	1.5
57.07067	1.3
59.05006	3.7
59.13615	0.8
64.94303	0.7
65.03928	0.9
67.05165	1.2
67.05500	16.2
69.03415	1.8
69.07062	10.7
70.04066	0.7
71.04980	7.3
72.52785	0.7
73.06545	1.3
79.05054	1.4
79.05489	17.6
79.69691	0.7
80.72483	0.7
80.95713	0.7
81.03401	1.1
81.07056	19.1
83.04955	1.6
83.08605	5.2
84.08163	0.7
85.06521	2.8
85.50642	0.8
91.05471	24.1
93.07041	20.1
95.04975	4.1
95.08598	15.8
97.06524	7.6
97.10153	2.3
98.21510	1.5
98.98415	0.8
99.08074	1.7
100.15300	0.7
103.05449	1.3
105.07026	27.9
107.04944	1.8
107.08585	14.7
109.06503	13.3
109.10143	9.0
110.07326	0.7
111.08077	2.6
115.05433	0.7
117.07010	6.8
119.08575	23.4
121.02834	2.6
121.06524	4.7
121.10133	10.7
123.08067	7.7
123.11678	3.1
125.05958	0.7
125.09605	2.7
129.07005	1.1
131.08557	10.9
133.10115	16.4
135.08044	6.8
135.11673	4.7
137.09607	7.1
139.11197	1.3
141.06934	1.0
143.08549	2.0
145.10106	10.0
147.08147	1.2
147.10617	1.2
147.11685	13.2
148.11978	1.0
149.09610	5.6
149.13264	2.5
151.11162	13.2
155.01013	1.1
155.08531	2.0
157.10081	3.1
159.11714	5.3
161.09630	1.0
161.13258	3.3
163.11177	9.1
163.14793	0.8
165.12721	7.6
169.10101	1.5
171.11652	2.4
173.09581	0.8
173.13264	3.4
175.11261	0.8
175.14832	1.1
177.12762	3.0
179.14310	2.2
183.11720	2.2
185.13165	1.1
187.14821	2.4
189.12761	0.8
191.14299	1.6
196.81242	0.9
197.13266	1.6
205.16000	0.9
207.02853	1.0
213.05606	0.8
215.18063	1.0
217.16156	0.7
219.13785	0.8
227.17911	0.9
229.19447	5.2
231.17442	1.1
233.15385	1.4
239.17953	7.8
247.20644	2.5
257.18988	9.4
265.07291	1.4
265.18082	0.8
275.20032	43.2
276.20346	1.8
289.18167	1.2
289.21701	1.5
289.25089	1.0
307.05994	6.5
307.09561	2.2
307.22662	100.0
308.23093	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	307.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
54.78059	0.5
55.01856	0.9
55.05510	2.9
56.05033	1.0
56.96552	0.9
57.03433	0.8
58.06585	1.5
60.04517	1.9
60.05647	1.1
61.02911	1.2
65.23492	0.5
67.05499	1.1
68.04993	0.7
69.03417	2.0
69.07059	0.9
69.46191	1.6
69.46613	2.8
70.06590	10.1
71.04984	0.7
72.08151	27.7
72.93781	0.5
73.06532	0.6
73.08477	0.8
74.06080	0.8
76.02211	1.7
79.05484	1.0
80.05022	0.5
81.03426	1.5
81.07034	2.3
82.06562	2.8
83.04983	2.0
84.04504	1.4
84.08142	6.6
85.02901	4.3
85.06537	1.3
86.06069	0.7
86.09701	2.3
89.10783	2.0
91.05481	2.3
93.07041	0.7
94.06553	2.9
95.04979	0.9
95.08568	1.0
96.08132	2.4
97.02870	1.8
97.06509	0.6
97.08923	0.6
98.06065	2.6
98.09693	1.9
98.97537	0.5
98.98465	1.2
99.04456	1.2
101.07051	0.5
102.05540	0.7
103.03945	1.2
103.05464	0.5
105.07019	0.9
107.04944	2.2
107.07328	5.0
107.08591	0.5
108.05351	0.6
108.08091	0.7
109.02887	1.1
109.06502	1.0
110.02384	1.2
110.06071	0.9
110.07157	0.7
110.09644	1.4
111.04428	0.7
112.07597	5.2
112.11181	0.7
114.09158	1.7
114.10287	1.5
115.08681	0.9
116.01690	0.6
116.98582	0.6
117.03382	0.9
119.04936	4.0
120.08096	0.8
121.02869	1.1
122.09660	17.6
123.04385	0.9
124.07539	0.7
126.09157	1.0
127.03918	2.0
127.07523	0.6
128.10716	0.9
130.06529	4.9
131.04915	1.1
131.12874	1.0
132.04445	1.4
132.95784	0.5
133.06477	1.7
134.03683	0.6
135.04396	1.1
136.07556	0.5
137.06004	0.7
138.09123	0.5
140.10695	97.5
141.11084	0.8
142.08643	3.0
145.02806	3.1
145.04987	0.8
145.06503	0.7
145.10545	0.9
146.05957	1.0
147.04401	17.8
148.04749	1.3
149.05991	0.6
150.09071	0.8
150.12778	0.7
150.96907	1.1
152.07077	2.7
154.08606	0.7
155.00975	0.6
156.10205	0.7
157.06464	0.7
157.07610	3.2
157.10846	0.8
158.06018	4.4
158.08160	1.2
158.11755	31.2
158.99704	0.5
159.04445	0.8
161.05972	2.3
162.02130	0.9
163.03876	2.5
164.10707	2.0
169.09871	0.7
173.04510	0.5
173.05992	1.2
175.08716	2.6
176.07271	0.5
177.05463	4.5
179.04845	0.6
181.06490	0.7
183.22943	0.6
183.60339	0.4
186.05475	0.6
187.03906	0.5
189.05525	3.1
190.12247	1.9
196.98984	0.8
197.55469	0.6
199.07643	0.5
201.05449	1.7
202.04999	0.5
205.06572	1.1
206.08183	0.5
208.13318	6.6
215.06847	0.5
216.10248	0.6
216.12231	0.9
218.11728	3.3
220.09694	0.9
223.07556	0.9
227.07291	0.7
230.08144	0.6
233.05983	0.8
234.11226	0.6
235.14360	0.5
237.08797	0.8
239.00107	0.6
243.07541	0.5
246.11218	0.5
247.14316	0.6
251.07039	0.6
252.06923	0.6
261.08615	1.8
271.14426	0.6
272.12842	1.3
279.06445	1.2
289.08420	0.6
289.11804	1.6
289.15497	1.8
289.19095	8.2
290.09763	0.5
290.14752	0.8
290.49039	0.5
293.16440	0.6
299.15448	0.6
307.05875	2.5
307.12772	3.5
307.16977	8.3
307.20148	100.0
307.66672	0.9
308.09369	1.1
308.12900	1.0
308.16266	1.3
308.20520	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	307.1901
Annotation	Corrin
Peak:m/z	Relative Intensity
50.70697	3.5
53.60291	3.7
55.01868	11.2
55.05510	32.0
56.96566	4.0
57.03435	78.3
57.07059	6.4
58.06590	6.5
65.03939	5.4
67.05497	53.5
68.60023	3.7
69.03423	6.1
69.07075	19.6
69.92639	24.0
70.06563	3.8
71.04987	7.8
71.08636	5.7
76.02219	5.1
79.05486	38.2
81.03416	6.0
81.07046	55.3
83.04975	74.1
83.08614	9.0
85.06554	6.3
91.04963	4.6
91.05485	54.2
93.07040	48.5
95.04967	22.9
95.08593	42.5
97.06523	9.9
97.10128	5.5
99.04450	6.1
105.07024	45.5
107.04937	71.6
107.08580	29.4
108.05765	6.1
109.06482	31.6
109.10133	21.2
111.04434	45.6
111.08090	6.0
115.05447	5.6
117.07008	16.1
119.08585	33.4
121.02872	13.5
121.06490	17.1
121.10152	16.0
123.08033	12.4
123.11697	7.5
125.05999	13.4
129.06993	14.5
131.08536	20.8
133.06473	13.2
133.10114	23.4
135.08011	19.1
135.11674	13.7
137.05962	99.6
137.09615	11.3
138.06306	73.4
141.07016	5.9
143.08525	8.2
145.06480	11.8
145.10115	18.5
147.08035	11.5
147.11711	9.2
149.05962	14.5
149.09644	7.5
149.13234	4.9
151.07536	5.5
155.08485	8.8
157.10173	4.7
159.08058	16.3
159.11694	9.6
159.55205	3.9
161.09625	8.3
161.13219	6.7
163.07556	11.0
163.11162	14.9
165.12733	6.9
166.13129	6.4
169.10092	4.6
171.11681	10.6
173.09598	11.7
173.13300	6.6
175.11220	6.9
177.09116	9.1
177.12703	27.7
183.11705	7.8
185.05980	8.5
187.11096	4.8
187.14825	11.7
189.12834	7.0
194.13409	4.8
197.13292	5.4
201.09074	5.1
205.15892	14.8
215.14291	11.3
225.16336	7.5
233.15340	37.9
243.17390	15.8
253.15878	10.5
261.03067	8.1
261.18463	37.4
265.07327	28.6
271.16965	26.5
275.19992	6.3
280.09949	5.2
282.42923	4.5
289.17984	100.0
289.21487	11.5
290.18478	4.4
290.21924	6.3
306.64258	8.7
307.06094	11.8
307.09631	16.4
307.17438	7.9
307.22220	7.7
308.09308	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	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03931	3.7
55.01859	11.5
55.05509	39.6
57.03438	37.5
57.07052	3.5
61.99126	3.0
67.05499	38.8
69.03412	9.2
69.07072	15.4
69.89190	15.3
70.06587	4.8
71.04990	3.8
72.08144	6.5
79.05485	43.3
81.03419	6.0
81.07053	46.0
83.04948	7.8
83.08607	17.6
85.02909	4.0
85.06530	4.2
89.25896	2.5
91.05470	26.4
93.07037	27.1
95.04951	13.7
95.08575	19.9
97.06511	7.9
97.10169	27.1
97.85875	2.8
103.05419	3.1
105.07027	22.0
107.04954	19.6
107.08593	29.4
109.06506	11.8
109.10164	17.2
111.04471	4.4
111.08095	6.6
117.07008	11.3
119.08556	20.6
121.02850	5.6
121.06483	13.7
121.10111	11.2
123.04375	5.3
123.08080	4.4
123.11662	6.1
125.09623	17.8
127.03904	4.4
129.06984	8.8
131.08589	14.1
133.06516	4.3
133.10124	8.9
135.08034	27.6
135.11668	4.9
137.09602	6.4
143.08542	5.4
145.02797	5.6
145.06465	6.1
145.10062	8.0
147.08051	7.3
147.11682	4.7
149.09601	5.9
153.09094	8.5
155.08507	5.8
157.10135	5.8
159.08034	52.4
159.11682	7.8
161.09631	6.3
163.07445	5.0
163.11113	6.4
167.92746	2.9
169.10138	6.3
171.10229	3.0
171.11559	5.1
173.13255	5.2
177.05450	10.5
177.09038	6.1
183.11664	6.3
185.09546	6.3
185.13196	4.1
187.11145	3.0
187.14833	4.2
189.01807	5.0
189.11208	11.4
192.01154	2.8
193.10292	3.3
193.12227	4.7
195.11697	4.6
197.09505	3.0
197.13274	6.8
215.14308	12.5
233.15317	20.9
243.17451	5.4
253.15851	9.7
261.18555	5.3
263.17795	3.0
265.07263	8.6
271.16943	36.7
289.17935	100.0
290.18066	3.2
307.05948	21.2
307.09650	9.0
307.13028	3.4
307.17386	5.6
307.20218	5.8
307.26410	8.2
308.09384	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	307.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05503	5.0
56.96543	1.4
57.03438	4.7
57.07056	1.3
60.04511	3.3
61.02917	3.8
65.03900	0.8
67.05502	4.9
68.21660	0.7
69.03430	7.4
69.07065	5.1
70.06587	13.4
70.30611	1.5
70.31010	1.3
71.01355	6.6
71.04973	3.8
72.08144	10.9
73.02912	7.3
79.05466	4.9
81.03410	1.8
81.07046	7.0
82.22044	0.7
83.04980	5.0
83.08604	1.6
84.04482	0.8
84.08138	6.1
85.02898	13.6
85.06528	2.5
86.09685	3.5
87.04449	2.2
91.05460	7.5
93.03370	1.1
93.07036	8.4
95.01360	0.8
95.04953	6.2
95.08595	10.5
97.02881	4.0
97.06516	3.7
97.07633	0.9
98.06035	1.2
98.97577	3.1
99.04456	1.9
101.06002	2.5
103.03918	2.4
103.05437	1.3
105.03358	1.0
105.07025	10.5
107.04938	3.0
107.08584	10.5
108.04446	1.2
109.02862	1.5
109.06510	6.6
109.10154	4.3
110.09678	1.7
111.04404	1.9
111.08071	1.7
114.10278	5.4
115.03921	3.1
115.05434	1.4
115.08679	1.5
116.98583	2.7
117.03373	5.4
117.06989	3.2
118.06520	1.8
119.04919	3.0
119.08573	15.0
120.08090	2.1
121.02847	2.7
121.06511	5.1
121.10123	13.0
122.05988	1.8
123.04388	3.1
123.08076	6.4
123.11693	1.7
125.05970	1.4
125.09624	1.3
126.09148	4.4
127.03889	1.0
128.06203	1.1
128.98619	0.9
129.05475	1.5
129.06973	2.3
130.06514	0.9
130.08667	0.8
131.07632	1.2
131.08543	7.9
133.04938	1.3
133.06473	2.6
133.10117	11.6
134.06013	1.2
134.99622	1.1
135.04405	1.5
135.07137	1.0
135.08037	5.4
135.08987	1.0
135.11661	3.0
136.07529	2.4
137.05951	1.7
137.09683	1.1
137.11508	0.7
138.05444	1.0
138.09117	4.4
139.07523	1.2
139.11145	1.3
140.07051	2.0
141.06970	1.3
143.08527	5.1
144.09233	0.9
145.01724	1.6
145.02827	21.6
145.06451	1.8
145.10103	11.3
146.06003	3.1
146.11749	1.0
147.04440	4.0
147.08014	2.6
147.11673	8.1
148.07497	1.2
149.05971	3.5
149.09596	2.3
149.13269	1.9
150.09059	1.1
151.07460	1.8
151.11177	0.9
154.35957	0.8
155.07024	3.1
155.08386	1.4
156.09221	1.1
157.10104	5.9
158.09593	1.0
158.10789	1.7
158.99593	1.0
159.07999	4.5
159.11670	6.4
160.07550	1.7
160.08839	0.8
161.01135	1.1
161.02324	1.5
161.09579	3.8
161.13234	1.5
163.03899	4.2
163.07478	1.1
163.11143	1.4
164.07138	0.9
165.05475	0.8
166.08669	2.1
167.07039	2.6
168.06537	1.9
168.09294	0.8
169.08672	1.2
169.10085	3.1
170.10860	1.0
171.07988	1.9
171.11653	3.5
172.08852	1.1
173.09596	2.9
173.13246	13.9
174.09116	2.2
175.11150	1.5
175.14816	12.7
176.10736	1.3
177.00682	1.2
177.05457	41.1
177.10307	1.4
177.12709	1.2
178.08627	14.7
179.08842	1.2
181.10158	0.9
183.06674	0.9
183.11673	2.1
184.07530	1.5
185.09561	2.1
185.13222	4.9
187.11171	3.3
187.14804	8.9
188.07079	3.0
189.01851	6.8
189.09068	1.3
189.12738	1.3
189.16365	2.8
191.14285	2.8
192.15073	2.8
193.10120	0.9
193.15773	1.1
195.10112	1.8
197.09601	1.4
197.13319	1.7
198.09077	2.0
199.11177	1.1
199.14851	3.9
201.10202	2.5
201.12743	1.7
201.16507	1.1
202.08571	5.5
203.02232	1.5
203.10651	1.3
203.14296	3.0
205.09726	3.5
206.08168	2.2
207.02852	7.0
209.11664	3.3
209.13362	1.0
211.11096	1.3
211.14790	2.6
213.12762	1.0
214.08498	1.8
215.10583	7.6
215.14278	2.4
216.10191	3.0
217.15840	2.5
218.08018	1.0
219.09183	2.1
219.11272	4.6
220.09770	1.5
223.09074	1.4
225.16298	2.5
226.08583	1.9
227.14255	2.9
229.09773	4.4
229.11736	1.0
229.15862	2.6
230.08061	2.6
233.11702	2.3
235.14813	1.0
241.15871	1.7
243.11293	2.4
243.17392	1.3
244.09648	4.0
245.12952	0.8
247.08624	1.7
247.10837	12.3
247.16771	1.0
248.08984	1.0
248.12856	1.6
253.15874	3.0
254.07999	1.0
259.16989	1.7
261.12369	0.9
262.10016	3.6
262.13901	1.3
262.47174	1.4
263.04352	1.0
264.11514	1.2
265.07272	2.4
265.11783	10.7
271.10873	1.7
271.16904	8.8
272.08945	1.5
283.12100	1.0
286.10791	1.7
287.11374	2.9
289.11810	15.1
289.17941	13.9
290.09540	1.7
290.15067	3.1
291.13986	0.8
296.11832	3.7
296.62579	0.9
298.17697	1.9
307.05948	25.8
307.12817	100.0
307.17670	19.7
307.62857	1.2
308.06479	5.7
308.10138	14.6
308.13306	5.7
308.17163	4.1
325.13193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1899
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01872	19.4
55.05508	24.6
57.03431	39.6
57.07067	5.1
59.04974	4.5
60.04517	10.6
61.02924	19.4
65.03924	4.5
67.05505	17.5
69.03417	31.0
69.07075	20.2
70.06585	38.1
71.01347	19.9
71.04980	7.9
71.62045	6.1
72.08152	36.2
73.02911	35.4
74.89484	3.7
79.05469	17.9
80.03173	4.9
81.03397	6.4
81.07053	31.4
83.04955	13.1
83.08596	8.7
84.08143	26.4
85.02895	57.8
85.06549	6.1
86.09680	13.3
87.04448	9.3
91.05479	31.2
93.07029	30.4
95.04959	22.9
95.08598	31.5
97.02872	17.5
97.06524	20.3
98.06046	7.5
99.04456	5.4
100.11228	8.3
101.05994	12.7
103.03927	16.5
105.07023	42.5
107.04945	7.4
107.08583	38.7
109.02863	9.3
109.06507	22.6
109.10130	22.0
110.02361	4.6
111.04466	8.8
111.08064	8.6
114.10273	8.2
115.03907	23.3
115.08671	4.2
117.03338	13.9
117.06991	14.7
119.04936	8.4
119.08565	57.7
120.08076	4.5
121.02813	6.6
121.06467	13.4
121.10143	37.8
123.04406	10.3
123.08051	12.9
123.11691	9.7
125.06009	4.7
127.03871	9.4
127.59711	4.0
128.10738	7.0
129.07013	7.4
131.08557	35.9
133.04970	27.6
133.06488	9.5
133.10117	75.7
135.08014	10.0
135.11682	15.6
136.07559	6.4
137.05920	6.9
143.08540	17.0
144.09309	4.8
145.02858	44.0
145.06483	4.5
145.10100	46.4
146.05949	6.2
146.11769	6.4
147.04359	22.1
147.06363	4.1
147.08051	9.7
147.11679	31.6
149.05945	13.2
149.09531	4.1
151.07529	8.8
155.08565	9.9
157.10042	22.7
158.10989	4.4
158.28561	3.6
159.08028	13.0
159.11658	41.8
161.09633	10.4
161.13246	9.8
163.03836	13.0
163.11214	5.2
165.05551	3.9
167.07063	7.2
167.08485	7.3
169.10063	9.2
170.10893	9.1
171.08044	4.1
171.11618	15.4
173.09608	11.0
173.13248	74.6
175.11108	6.7
175.14812	88.7
177.05453	82.1
177.12769	4.3
177.16220	4.5
179.08607	3.6
181.10068	5.7
183.11615	7.1
185.09564	6.9
185.13261	28.5
187.11185	11.3
187.14809	43.4
189.01790	10.7
189.16293	10.4
191.14272	12.2
192.15089	6.3
193.15797	7.4
195.11737	4.6
197.13275	5.6
199.14803	14.9
201.16322	6.9
203.10663	5.4
203.14288	8.2
205.15877	4.7
207.02840	13.7
209.11647	6.3
211.11201	5.3
211.14722	9.2
215.10645	17.1
215.14159	9.1
217.15852	13.3
225.16370	9.0
227.14243	5.3
229.15862	10.6
233.11668	5.0
241.15800	7.4
242.53717	3.7
243.17439	4.8
253.15836	7.0
259.16943	7.8
262.13953	11.4
262.47296	4.2
262.80508	4.0
265.07306	11.3
265.11865	4.4
271.16910	25.5
277.17853	7.2
289.11676	6.3
289.14948	6.0
289.17926	54.3
290.15405	6.4
298.17905	5.2
298.22955	4.3
298.72891	4.0
307.05954	42.6
307.09351	5.1
307.13306	28.3
307.19284	100.0
308.06369	8.3
308.16809	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	307.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01859	1.8
55.05494	1.8
57.03424	1.7
59.04994	0.5
60.04511	1.7
60.05637	0.7
61.02921	1.0
65.03938	0.6
67.05499	2.0
69.03431	2.7
69.07064	2.6
70.06590	7.6
71.01345	1.2
71.05000	0.6
71.06923	0.6
71.14578	1.0
72.08152	7.4
73.02930	2.0
75.04446	0.4
79.05493	2.3
81.03407	0.8
81.07051	3.0
83.04957	1.2
84.08130	1.8
85.02902	4.3
86.09682	0.9
87.04487	0.5
89.03921	1.5
91.05458	3.1
93.03396	1.2
93.07030	3.2
94.06564	0.5
95.04962	2.0
95.08608	3.9
96.04479	0.4
97.02860	1.1
97.06522	1.1
97.07673	0.5
98.06057	1.2
99.04443	0.5
103.03931	1.0
105.07028	3.9
107.04938	1.3
107.08586	4.4
108.04476	0.8
109.06503	2.2
109.10135	0.9
110.02441	0.5
111.04412	0.6
114.10287	6.1
115.03928	1.2
115.08693	1.3
117.03381	5.8
117.07010	1.3
118.06519	1.1
119.04945	1.7
119.08581	4.9
120.08154	0.9
121.02869	2.6
121.06506	1.9
121.10136	5.1
122.06042	1.4
122.37881	0.4
123.04433	1.7
123.08097	1.9
123.11694	0.9
124.07584	0.8
125.06013	0.5
127.03925	1.0
128.06209	0.7
128.07118	0.6
129.06998	0.8
130.06514	0.9
131.08557	2.5
131.12920	1.3
133.04959	0.7
133.06514	0.8
133.09193	0.6
133.10126	4.8
134.03650	0.6
134.05949	0.7
135.04388	0.9
135.06599	0.4
135.08067	2.4
135.11687	1.0
136.07555	1.5
137.05992	0.6
137.09639	0.5
139.11177	0.6
140.07069	2.1
143.08556	1.6
145.02835	25.2
145.06479	0.8
145.10106	4.1
146.06003	1.9
147.04387	2.0
147.06595	0.5
147.08072	1.1
147.11726	2.0
149.05954	4.1
149.09599	1.2
149.13264	0.8
150.09184	0.9
151.07547	1.2
153.06931	0.5
155.07036	1.5
155.08408	0.6
157.10049	1.4
158.10916	0.5
159.07974	0.8
159.11714	2.7
160.07590	1.9
161.02367	1.6
161.09581	0.9
161.13309	0.5
162.05476	0.6
162.09084	0.5
163.03925	2.5
163.08717	1.0
163.11221	0.7
164.07016	0.4
165.05455	0.6
167.07207	0.5
168.06535	2.0
169.08667	0.6
169.10155	1.2
170.09671	1.0
170.10979	0.7
171.08000	0.5
171.11639	1.1
172.07469	0.5
173.09586	1.3
173.13240	3.4
174.09161	1.5
175.14789	3.8
177.05458	51.6
177.10274	1.4
177.12703	0.8
178.08632	12.3
181.10101	0.5
182.08110	0.6
183.11731	1.0
184.07585	1.8
185.09622	0.7
185.13260	1.6
186.05542	0.9
186.09216	0.6
187.08778	0.8
187.11163	1.1
187.14792	2.9
188.07033	3.2
189.01831	6.1
189.16418	0.7
190.08638	0.7
191.08218	0.7
191.10629	0.9
191.14348	0.9
192.15126	1.3
193.09811	0.5
193.15968	0.6
198.09135	1.6
199.14789	0.8
201.10327	2.5
201.12820	0.5
202.08597	5.0
203.14313	1.4
205.09746	3.7
205.15874	0.6
206.08156	2.5
207.02878	5.9
209.11765	0.7
211.14914	0.6
212.07059	0.8
215.08524	0.5
215.10391	2.2
215.14264	0.8
216.10220	2.7
217.09785	0.5
217.15929	1.3
219.07733	1.0
219.11299	4.7
220.09718	2.1
225.10234	0.7
226.08684	1.5
227.14343	0.9
229.09749	4.8
229.15822	1.0
230.08070	2.9
235.14534	0.4
243.11296	1.7
243.17430	0.7
244.09682	3.7
247.10789	11.0
247.14519	1.6
248.09235	0.8
248.12866	1.4
253.15814	1.0
254.08090	0.6
259.16977	0.6
261.12375	1.7
262.10754	1.8
262.13855	0.9
265.11826	12.7
271.10739	1.5
271.16855	3.3
272.09167	1.4
279.06396	0.5
289.11832	14.0
289.17859	4.6
290.10159	0.7
290.14969	4.1
298.10315	0.5
298.66003	0.5
301.35019	0.4
307.06015	22.3
307.12900	100.0
307.17703	37.0
308.06525	3.1
308.13297	2.3
308.17941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02933	0.4
68.42652	0.3
69.07041	0.9
69.68717	2.2
79.05494	0.4
81.07036	0.4
91.05475	0.4
93.07037	0.5
94.04175	1.0
97.06499	0.3
107.04900	0.3
107.08563	0.4
109.06506	0.3
109.10155	0.7
114.09177	0.5
122.03635	4.7
126.09148	0.4
133.10110	0.8
135.11691	1.1
137.05966	100.0
138.06300	1.5
151.11134	0.6
152.68303	0.3
153.12720	0.8
170.15369	1.8
182.15372	4.0
286.31772	0.4
306.20630	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	306.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19923	0.2
53.03936	0.4
55.01856	0.7
55.05509	6.3
56.96550	0.6
57.03431	0.3
57.07059	0.8
58.06584	0.5
60.04522	0.2
62.29530	0.2
65.03912	0.4
67.05499	8.7
69.03410	0.3
69.07063	7.1
70.06567	0.3
70.76160	0.6
71.08623	0.4
76.67782	0.2
79.05482	2.3
81.06573	0.4
81.07054	6.9
82.06583	0.2
83.04968	0.2
83.08611	2.3
84.08099	0.3
84.31719	0.2
85.05285	1.7
85.81888	0.2
86.06061	0.9
91.05490	1.0
93.07042	1.6
95.04945	0.4
95.08602	4.5
96.08129	0.4
97.06567	0.3
97.10180	1.1
98.06047	14.1
99.06821	0.3
105.07001	0.8
107.08574	1.2
108.08131	0.2
109.06500	0.6
109.10145	1.7
110.09680	0.6
112.07589	1.9
116.00249	0.2
119.08573	0.8
121.10132	0.8
122.03622	0.2
123.11665	0.5
124.07561	0.3
124.11204	0.3
125.08427	0.2
126.09132	0.8
128.76698	0.2
131.08492	0.2
133.10120	0.3
135.11621	0.4
137.05960	2.7
137.13261	0.2
138.09103	0.4
140.10672	0.5
147.11653	0.4
152.10686	0.4
154.12245	0.6
165.12781	0.5
166.12277	0.4
168.13792	0.4
180.13853	0.3
182.15382	0.7
187.37123	0.2
194.15363	0.4
195.16103	0.2
196.16991	0.6
200.83459	0.2
208.16866	0.8
220.82677	0.2
222.18498	0.7
236.19978	0.4
250.21553	0.3
263.07504	0.3
275.20084	0.2
301.02924	0.2
305.14996	0.2
306.27881	100.0
307.06039	0.2
307.09735	0.3
307.22672	0.7
307.28253	1.8
311.37766	0.2
312.42520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	3.7
69.75930	14.4
70.06575	3.2
72.08159	5.4
75.54124	1.9
80.64845	2.1
82.06567	3.3
84.08133	6.5
85.02890	6.5
87.04433	2.4
97.63353	2.0
98.09663	6.9
98.97565	2.6
100.07633	2.3
101.06036	2.4
114.49639	2.6
115.54441	2.7
119.01906	12.0
132.08386	2.8
137.02921	3.6
145.03510	3.0
146.09276	2.4
146.11752	7.0
147.04474	3.4
161.02969	3.1
162.07581	2.3
191.02292	3.0
205.00119	3.3
215.00348	2.9
221.05081	3.0
247.03029	3.6
253.31018	2.3
265.07526	3.7
307.07565	100.0
307.15469	11.1
308.08252	2.8
308.17047	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	306.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28460	0.5
53.03940	0.5
55.01865	0.9
56.05012	1.3
56.96549	2.2
57.03425	1.3
57.05368	0.6
58.06581	0.9
60.04498	1.1
61.01135	0.5
61.02920	1.2
67.05504	0.9
68.05010	0.9
69.03418	3.4
70.06586	7.9
71.04978	1.0
71.06917	1.2
71.20093	1.4
72.08144	1.4
73.02904	1.2
73.87722	0.5
74.06083	0.8
74.87845	0.5
81.03403	2.4
84.04487	1.7
84.08144	7.3
85.02899	8.7
86.06081	2.6
87.04448	0.9
87.06396	1.0
88.03973	0.8
88.59261	0.5
94.06567	0.7
96.08122	1.4
97.02883	1.8
98.09684	100.0
98.97584	0.8
99.04457	1.3
99.10013	1.6
100.07632	0.7
101.02354	0.5
103.03937	1.1
109.02874	1.8
112.07610	0.6
112.84827	0.6
114.05517	7.2
114.06254	0.6
115.05878	4.5
116.98599	1.1
119.01900	3.2
120.25703	0.5
127.03951	3.9
129.09998	0.5
130.04994	0.8
130.08664	0.6
132.08406	2.1
133.03494	0.8
134.99658	1.0
137.02928	1.3
140.07062	1.3
142.05058	0.6
142.08635	3.2
143.08965	1.6
144.04070	1.4
144.10184	56.6
145.03439	0.7
145.04965	0.9
145.10556	1.5
146.08130	0.7
146.96071	0.5
146.99648	0.6
150.96918	0.6
158.08180	1.1
159.08452	0.8
161.02922	0.9
161.09959	0.5
162.03304	0.5
168.06557	0.6
173.02991	1.0
186.07594	5.2
187.07964	9.6
188.97041	0.6
190.22749	0.6
191.02264	0.6
198.09547	1.2
199.62764	0.5
215.00407	1.0
242.11989	0.8
247.03145	0.9
264.54388	0.5
270.13437	2.1
288.12714	6.9
288.14969	1.7
306.15500	71.0
307.09979	7.3
307.15836	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	306.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59648	0.3
50.72364	0.3
53.03947	0.4
55.01859	0.6
55.05498	0.8
56.05021	1.6
56.96566	2.5
57.03421	1.4
58.06572	0.6
60.04505	1.0
61.02914	1.6
62.03247	0.4
67.05510	0.3
67.37241	0.3
68.05019	0.8
69.03428	4.0
70.06240	0.7
70.06586	7.7
70.81522	0.3
71.01344	0.4
71.04982	0.9
71.06913	1.3
71.60906	0.4
72.08160	2.0
73.02920	0.7
74.06080	0.5
75.04468	0.3
75.69610	0.3
81.03419	2.0
82.06543	0.6
84.04487	1.6
84.08138	6.5
84.96001	0.3
85.02902	10.3
85.08490	0.5
85.21265	0.3
86.06069	2.5
86.09707	0.9
87.04525	0.5
87.06390	1.0
88.03989	1.1
94.06560	0.4
96.04495	0.8
96.08121	1.5
97.02880	2.8
98.06064	0.6
98.09686	100.0
98.97592	1.5
99.04449	1.3
99.10015	1.5
100.07639	0.5
101.00871	0.5
101.02381	0.5
102.05549	0.9
102.96844	0.4
103.03945	1.1
105.07087	0.3
107.04963	0.3
109.02851	0.8
109.06503	0.4
110.06043	0.4
110.07156	0.4
111.04437	0.5
112.07612	0.8
113.03534	0.4
114.03727	0.4
114.05524	8.8
114.09172	0.8
115.05148	0.6
115.05865	5.1
116.98617	2.2
119.01907	3.3
121.40683	0.3
122.06026	0.7
126.05507	0.7
127.03927	2.9
127.04867	0.5
130.05009	0.9
130.08655	0.9
131.00128	0.3
131.01906	0.5
131.05371	0.4
132.06602	0.4
132.08401	1.4
132.10147	0.5
133.03499	0.6
134.99641	1.2
137.02972	1.0
137.05980	0.8
138.05505	0.4
140.07098	1.3
141.07379	0.4
142.08618	3.7
143.09004	2.3
144.04050	4.6
144.10190	56.8
145.03470	0.6
145.04968	1.1
145.10558	1.0
146.08159	0.8
146.99626	0.5
147.04446	0.5
147.08496	0.6
149.01224	0.6
157.03465	0.5
158.06131	0.5
158.08110	1.2
159.06541	0.4
159.08459	1.4
160.04382	0.4
160.09703	0.6
161.02950	1.2
162.07535	0.4
165.00793	0.4
168.06610	0.4
170.08185	0.5
170.10065	0.4
173.02939	0.8
173.12885	0.5
175.02948	0.4
175.04433	0.6
175.07224	0.4
177.00775	0.5
177.02223	0.3
186.02232	0.4
186.07603	6.3
187.00879	1.0
187.07953	10.4
191.02292	0.5
193.00269	0.5
198.09532	0.7
204.08699	0.5
205.00320	0.7
205.09004	1.0
209.04848	0.5
215.00400	0.9
242.11961	0.5
244.09566	0.3
247.03090	1.1
252.12346	1.2
270.13391	3.0
277.07889	0.5
288.12769	7.6
288.14651	1.2
289.04132	0.5
306.15524	73.3
307.10248	9.4
307.15463	2.2
322.21140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73168	4.3
56.96564	55.7
71.23515	5.8
71.23849	9.0
74.97585	5.1
82.06599	6.8
84.08138	9.0
84.24586	4.4
88.83271	4.5
98.97578	100.0
98.98194	8.1
112.89550	5.8
115.97769	6.0
116.98613	86.2
131.00136	6.3
134.99669	53.3
146.08138	4.8
146.99663	7.8
149.01225	8.0
151.00723	4.8
158.99698	13.4
161.01271	11.1
162.99110	13.1
168.50850	5.9
174.99223	11.2
177.00743	29.3
179.02356	5.6
181.00276	5.7
181.50705	5.7
186.99287	5.1
193.00258	15.4
202.89119	7.9
205.00229	56.9
219.01968	10.9
223.01328	28.4
241.02379	8.9
247.01283	7.2
256.98834	5.8
258.97253	8.2
261.03052	39.0
265.02347	23.6
278.01657	5.7
283.03384	13.1
283.11450	10.6
300.98544	8.6
304.35220	5.4
306.08765	13.1
307.04361	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	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
53.16382	1.0
53.49547	1.0
55.01858	2.3
55.05500	4.2
56.96551	1.8
57.03436	1.3
58.06586	2.9
65.03925	2.6
67.05479	3.1
68.99794	1.6
69.03416	4.3
69.07056	5.6
69.30326	15.3
70.06592	6.3
71.08675	1.4
72.08150	24.8
73.02869	1.5
74.06082	1.8
79.05480	2.9
80.05020	2.0
80.83704	1.2
81.03405	1.4
81.07056	2.9
81.78258	1.3
83.04994	1.7
84.04505	1.8
84.08140	5.0
85.02880	3.3
86.09701	5.4
89.10781	2.3
91.05477	17.3
93.07021	3.1
94.06525	2.9
95.01289	1.6
95.04967	4.2
95.08620	1.5
97.02883	2.9
97.06517	3.1
98.06049	3.4
98.09685	1.8
101.02316	1.5
103.05471	1.3
104.04953	1.6
104.32715	1.1
107.04964	2.6
109.02857	2.0
110.02414	1.2
110.06014	1.9
111.04434	1.9
112.07607	1.4
113.05984	1.4
114.05511	1.6
114.10260	2.2
116.04959	9.5
117.05760	2.9
118.06527	23.7
119.04938	5.5
119.05750	1.1
119.07289	3.6
119.08566	1.9
120.08100	46.4
121.02856	4.7
121.06498	1.2
122.06042	7.8
122.09656	2.8
123.04414	29.0
124.07577	2.5
126.12797	2.9
127.03911	6.6
129.10156	1.5
131.08586	1.3
133.02876	3.6
133.06378	1.4
134.06012	7.0
135.04446	1.7
136.07567	1.9
137.05971	5.5
139.03883	7.7
140.07066	5.5
142.08658	3.8
143.03366	1.6
143.08665	2.0
145.02786	2.8
145.10164	1.3
146.06006	18.3
146.07118	2.4
147.04393	20.6
147.06781	9.7
148.04800	2.4
148.07538	10.4
149.02333	26.3
149.05879	1.4
150.05521	1.3
151.03902	2.8
152.07060	1.9
153.01814	36.8
154.08667	1.6
157.06493	3.0
161.02321	2.6
161.05919	1.4
163.03889	5.1
164.07059	100.0
165.05511	1.3
165.64970	2.2
167.03406	4.4
171.02902	6.7
173.13228	1.4
175.07527	1.5
176.07042	2.1
177.05482	2.9
179.03584	1.3
185.05989	3.6
186.07658	1.6
187.10852	1.9
189.05479	1.9
189.11475	1.4
192.06581	3.5
195.02904	7.0
204.10199	2.2
208.24486	1.2
213.05521	4.4
214.12279	2.6
218.11723	3.9
226.12222	3.3
231.06477	18.8
232.06873	1.5
232.09671	3.3
241.04910	3.2
241.13383	2.6
242.11742	12.8
243.14928	16.6
246.11226	7.2
259.05984	23.7
259.14352	2.7
261.16071	3.1
269.12790	9.5
270.11212	21.4
277.16434	2.4
283.17902	5.3
283.68008	1.4
287.05457	8.1
287.13885	41.7
287.16733	1.9
305.06549	5.4
305.11307	4.1
305.14725	27.3
305.18979	2.2
305.22260	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	305.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48767	0.5
55.05494	1.1
56.05040	3.5
56.96558	1.8
57.03430	1.1
58.06593	4.6
61.01147	0.8
67.05505	0.9
68.05013	0.7
69.03430	3.4
69.44377	1.7
69.44803	3.5
70.06586	4.1
71.04993	0.9
72.08153	4.8
74.02437	2.0
75.02672	0.6
79.05470	0.9
81.03401	1.1
81.07047	1.7
82.06551	0.8
83.04980	0.8
84.04498	30.4
84.08134	100.0
85.02904	4.0
85.08479	0.6
86.06056	7.1
86.09686	3.9
91.05471	0.6
93.07032	1.0
94.06572	1.6
95.04999	0.9
96.04482	0.7
96.08100	1.1
97.02884	2.2
98.06035	0.6
98.09695	1.6
98.21560	1.1
98.97592	1.5
99.04449	0.7
101.07156	0.6
102.05537	0.8
102.09160	4.5
103.70016	0.6
105.07006	0.9
107.08626	0.7
109.02866	0.7
109.10221	0.7
112.07641	0.8
112.10540	0.7
112.11229	3.6
113.06007	0.6
114.05497	2.2
116.98637	1.6
119.04933	0.6
119.08655	0.7
120.08134	1.0
122.09673	0.8
123.04440	1.4
124.07545	1.2
125.09615	1.7
127.03915	1.4
127.08660	1.7
130.06535	0.6
134.99654	0.7
137.02373	0.6
140.07089	0.9
142.08611	5.1
143.03392	12.4
143.07124	1.0
143.08160	2.3
146.99574	0.7
147.04410	2.8
148.07536	1.6
150.09181	0.7
153.01814	1.2
157.06075	5.5
158.05962	1.0
167.11737	0.7
183.84059	0.6
185.12718	0.6
186.07640	2.1
194.08131	0.6
195.11255	1.5
201.00847	0.6
211.14442	0.6
213.12321	43.3
218.11659	0.7
221.98358	0.6
231.06392	0.8
241.15454	54.2
242.15863	0.8
247.14417	0.6
259.05978	1.5
260.09451	7.9
287.12576	1.6
305.11636	1.7
305.15216	43.9
305.18405	3.8
306.15448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01851	2.9
55.05504	7.5
57.03435	13.6
57.07064	1.2
59.04979	2.5
61.02917	6.2
67.05500	7.7
69.03423	14.2
69.07070	2.2
69.46999	8.9
71.01349	10.8
71.04987	23.2
73.02915	11.6
75.04475	9.3
79.05482	2.8
81.03400	4.7
81.07028	3.3
83.01355	2.4
83.04972	26.8
85.02898	100.0
85.06522	1.5
87.04458	5.2
91.05481	2.4
93.07039	3.4
95.01324	3.8
95.04961	11.5
95.08579	3.4
97.02885	9.2
97.06536	2.5
98.20689	1.9
99.00810	1.7
99.04443	1.8
101.02371	5.5
101.06025	5.8
103.03920	5.2
105.07030	2.0
107.04982	2.3
107.08588	2.7
109.02847	3.1
109.06499	1.8
109.10091	1.5
111.04432	20.5
113.02341	4.6
113.05988	6.7
115.79906	1.1
117.07042	1.7
119.08554	2.0
121.02834	1.5
121.06490	2.3
123.00784	1.4
123.04412	3.6
125.02368	3.1
125.06006	2.5
125.09574	1.8
127.03924	6.0
129.01949	1.4
129.05470	20.5
131.03369	3.5
131.08592	1.3
135.08080	1.8
137.02339	4.6
137.06015	1.5
139.03806	1.4
141.01822	6.9
145.10071	2.1
146.73373	1.4
147.06503	11.0
149.05959	1.3
151.03860	2.6
155.03406	2.2
157.01328	3.5
157.04921	10.4
159.02869	6.3
165.01810	4.0
169.01360	1.6
169.04918	1.6
171.06535	1.5
173.08049	2.6
175.02303	2.1
177.03917	1.7
179.03395	1.3
183.02888	7.6
187.02390	7.8
195.06584	2.5
197.04369	1.4
199.05978	1.8
201.03926	11.1
207.02969	1.6
213.03902	1.7
213.07547	4.1
217.07077	3.7
219.04968	3.0
223.05928	1.6
241.07135	5.8
243.05019	1.8
251.05522	2.0
259.08087	7.2
269.06607	8.0
273.18494	2.0
287.07544	7.7
305.08496	11.4
305.17734	2.7
305.21143	2.8
305.24472	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1341
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
55.01855	0.9
55.54313	0.9
55.56699	0.8
56.05040	5.4
56.96547	1.1
56.99743	0.8
57.03426	1.6
58.06596	4.2
59.26001	0.7
68.05001	3.1
70.06194	1.2
70.06583	23.2
71.30546	1.8
72.08131	3.6
78.08251	0.8
81.04509	1.5
83.63464	0.8
84.04476	1.1
84.08138	4.1
85.02911	4.7
86.06060	27.6
88.03979	5.7
96.04481	1.3
97.02876	1.3
98.09679	3.6
98.97562	2.2
100.07605	1.5
102.05520	3.5
103.03923	8.0
109.02897	1.1
112.05084	0.9
112.07580	3.0
113.07120	0.9
114.05518	83.6
114.09142	4.5
115.05872	1.5
125.02291	1.1
125.07101	1.5
128.07051	2.6
130.04977	5.4
130.06479	1.5
132.06529	1.3
134.99608	1.0
140.07104	4.8
142.08621	27.9
143.03365	1.6
143.08109	5.7
144.04022	1.0
144.10149	1.7
146.06041	1.1
146.08090	8.8
158.04509	2.4
158.05994	4.0
158.08104	11.7
160.09698	4.7
166.24402	0.8
168.06537	1.9
169.09665	4.3
173.07156	1.4
185.09198	1.9
186.07599	100.0
187.07980	1.6
197.09123	5.4
204.08659	11.5
215.10249	2.1
241.11777	6.1
259.07303	1.2
259.12888	1.7
269.11285	1.4
287.12311	70.2
305.02603	0.9
305.08200	3.7
305.13416	36.2
305.18561	1.5
306.15546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1381
Annotation	CHEBI:67426
Peak:m/z	Relative Intensity
53.03947	1.4
55.01868	3.8
55.05504	24.7
57.03429	2.1
65.03924	0.8
67.05496	6.3
69.03423	32.1
69.07048	3.7
71.04980	4.3
72.08142	1.8
75.04468	0.7
79.05482	3.2
81.03406	1.9
81.07047	9.1
82.92635	0.6
83.04972	100.0
83.08587	1.0
84.05287	0.8
85.02896	15.7
85.06551	1.6
91.05479	3.5
93.07040	5.9
95.04956	7.1
95.08598	6.8
97.02866	1.3
97.06503	2.3
99.04438	5.6
99.08089	1.0
101.02361	1.0
101.06010	2.7
103.05476	1.6
105.07032	4.7
107.04952	2.2
107.08589	5.3
109.06513	1.3
109.10123	3.3
111.04436	2.1
111.08088	1.9
113.06009	1.6
114.05521	0.8
115.05443	2.7
116.98637	0.9
117.06973	4.1
119.08572	2.6
121.06493	1.4
121.10117	3.6
123.08043	1.3
123.11674	0.8
123.62941	0.9
125.09588	1.2
128.06177	0.8
129.05487	1.7
129.06998	2.9
131.04910	1.0
131.08533	2.1
133.06477	2.3
133.10110	2.6
135.08051	1.7
135.11696	2.2
137.05945	1.3
137.09665	0.7
141.06985	1.7
143.08517	1.8
144.05632	1.9
145.06467	4.2
145.10136	2.3
147.04420	1.8
147.08031	1.4
147.11684	2.5
149.13258	1.2
151.11266	0.8
152.04686	0.8
152.06110	0.8
153.06999	1.6
155.08498	0.8
156.09326	1.4
157.06462	2.2
157.10132	1.0
158.07283	1.5
159.08066	2.0
159.11665	0.9
160.05254	0.9
161.05989	2.5
161.09659	1.2
161.13272	1.1
163.14841	0.9
165.06929	1.1
166.07750	1.5
167.07039	5.9
167.08568	1.8
169.06503	1.6
169.10121	1.3
171.08061	2.8
171.11714	1.0
173.05954	9.1
173.13303	1.0
175.07509	1.7
179.08533	0.7
181.06425	1.4
181.08577	1.8
181.10094	1.1
183.08058	1.6
184.08810	1.7
185.09669	1.2
187.07530	2.8
187.14841	0.9
189.05437	2.3
189.09000	0.9
190.06250	1.6
191.07025	1.5
193.08626	3.0
194.07213	1.4
194.93028	0.7
195.06500	1.2
195.08139	1.9
195.10132	0.8
197.06013	0.9
199.11166	3.2
201.04012	0.8
201.09062	0.8
203.07077	1.2
204.07857	2.1
205.08594	6.4
207.06467	8.3
207.10164	3.1
208.07231	1.7
209.09610	2.5
211.07562	1.1
212.08299	2.4
213.09070	4.7
215.07089	0.8
217.08542	3.8
219.10068	2.7
221.08125	5.9
221.11565	1.0
223.09619	8.2
227.10622	6.7
229.08534	1.9
230.09393	0.8
231.06532	1.8
231.10292	1.2
243.10042	0.7
245.11754	5.4
247.09644	1.9
255.10092	4.4
259.13278	13.4
261.11218	0.9
269.12189	0.8
269.22632	1.1
273.11157	0.9
277.14426	1.8
287.12723	13.1
287.23645	1.9
305.13824	31.4
305.17239	1.2
305.21271	1.6
305.24734	7.5
306.14102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01870	3.5
55.05513	8.2
57.03434	15.0
57.07080	1.1
58.95218	1.0
59.04998	2.2
61.02932	4.6
65.03929	1.5
66.99997	0.9
67.01875	1.5
67.05505	5.4
68.99799	1.4
69.03426	15.3
69.07066	1.5
71.01349	12.6
71.04987	20.8
71.62144	1.7
73.02917	11.6
74.79202	1.0
75.04469	10.2
79.05499	2.9
81.03412	6.0
81.07050	3.2
83.01338	2.8
83.04476	1.5
83.04978	29.8
85.02901	100.0
85.06571	1.0
87.04451	4.5
91.05460	2.2
93.07050	2.3
95.01326	4.0
95.04966	9.6
95.08604	2.3
97.02883	8.7
97.06532	3.1
99.00836	1.5
99.04434	4.6
101.02376	4.0
101.06007	5.6
103.03934	5.3
105.07006	1.8
107.04952	1.8
107.08559	1.1
109.02877	4.2
109.06531	1.9
111.04429	22.9
113.02328	4.8
113.05976	6.6
119.08633	1.2
121.02878	1.4
121.10133	1.7
123.04435	2.2
125.02318	5.0
127.03889	6.2
129.05473	22.6
131.03418	3.4
132.18782	1.0
132.31938	0.8
133.10098	1.2
137.02338	4.8
137.05980	2.2
139.03915	2.5
141.01836	8.3
147.06497	12.5
149.02322	1.8
149.05968	2.2
151.03909	2.2
153.05481	1.4
155.03371	2.6
155.07082	1.3
157.01312	3.7
157.04977	11.7
159.02893	6.2
159.06451	1.1
161.69124	1.0
165.01859	7.2
169.01395	1.2
169.05003	1.5
169.67798	0.9
171.06512	2.1
173.08080	2.2
175.02390	1.4
177.04048	1.8
177.05461	1.4
179.03386	1.0
181.04987	1.1
183.02893	8.0
187.02332	6.4
195.06548	3.5
199.05922	1.2
201.03951	10.8
211.02388	1.3
211.61412	0.9
213.04033	2.8
213.07552	5.8
217.07106	1.6
219.04964	2.7
223.06050	1.6
225.03836	1.1
231.06544	1.1
231.08582	1.2
241.07062	5.5
243.05025	1.9
251.05496	2.4
259.08063	9.1
269.06555	9.3
281.00577	1.0
287.07623	8.0
305.08658	13.0
305.28680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84018	0.8
53.03940	2.1
55.01859	3.0
55.05513	7.7
57.03435	11.9
59.04983	1.8
61.02915	3.9
61.27520	1.0
65.03908	1.2
65.18045	1.0
67.05508	6.7
68.99792	1.3
69.03424	14.8
69.07082	2.3
70.06561	1.7
70.06969	5.0
71.01353	13.4
71.04642	1.3
71.04993	19.2
73.02920	14.0
75.04475	8.4
79.05486	3.4
81.03426	7.3
81.07046	4.7
83.01327	3.1
83.04980	22.2
83.08617	1.2
85.02902	100.0
85.06538	1.4
86.06094	0.9
87.04443	4.3
91.05460	2.3
93.07033	3.2
95.01312	2.9
95.04971	8.9
95.08585	4.2
96.52940	1.0
97.02885	8.8
97.06499	4.2
99.00803	2.0
99.04449	3.0
101.02361	4.3
101.06008	4.0
103.03933	4.0
105.05497	1.2
105.07007	2.7
107.04951	1.5
107.08543	2.8
109.02863	4.1
109.06526	2.5
109.10121	1.6
111.04433	20.7
113.02346	3.5
113.05985	7.5
119.08553	2.0
121.02834	1.5
121.10158	2.3
123.04402	2.5
123.11661	1.0
125.02349	3.6
125.05991	2.0
127.03898	4.9
128.41742	0.9
129.04619	1.7
129.05492	22.9
131.03377	2.9
131.08548	1.1
133.10106	1.8
135.04364	1.4
135.11700	1.0
137.02341	5.4
137.05905	1.0
139.03870	2.4
141.01842	5.2
141.05502	1.5
147.06511	9.3
147.11713	1.6
149.02289	1.2
149.05872	1.1
151.03899	2.2
151.11130	0.9
153.05412	1.3
155.03430	2.3
157.01352	2.0
157.04991	12.3
159.02896	6.2
159.11665	1.4
165.01836	6.1
167.03497	1.6
167.06999	1.6
169.01305	1.9
169.04913	1.0
171.06494	2.4
173.08086	3.0
175.02431	1.2
177.03998	1.6
177.05450	1.2
183.02882	8.6
187.02324	6.3
195.06551	2.4
201.03949	12.7
207.02818	1.0
213.03973	1.9
213.07570	5.8
217.06964	2.3
219.04955	2.1
223.05943	1.5
225.07353	1.0
241.06918	6.0
242.06592	1.1
243.04927	2.8
245.64085	1.0
248.87421	1.0
249.07536	1.9
251.05635	1.7
259.08194	8.4
269.06509	8.2
287.07635	6.8
287.23822	1.2
305.08618	9.5
305.21024	1.4
305.26584	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	305.0652
Annotation	Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03922	0.7
55.01857	0.9
58.46682	0.5
65.03925	1.7
65.50105	0.5
67.05476	1.5
67.80920	0.4
68.99783	2.9
69.07024	0.4
70.57084	0.8
70.57436	1.4
77.03897	0.6
79.05476	1.4
81.03406	4.0
81.07039	1.3
83.04954	1.7
91.05470	0.5
93.07032	0.6
95.04984	3.4
95.08567	1.5
97.06505	0.7
105.03374	1.3
105.07017	1.0
107.01263	0.5
107.04945	1.1
107.08541	0.9
109.02865	10.3
109.10122	1.4
111.00775	0.6
111.04425	2.2
111.37941	0.5
117.03333	0.6
121.02842	1.5
123.04417	27.3
124.04742	0.9
125.05991	0.7
127.03902	17.8
129.06960	0.7
133.02837	7.4
133.10081	0.6
135.04398	1.5
137.02335	1.4
139.03886	30.7
140.04237	0.8
145.06453	0.7
145.10107	0.6
147.04376	1.8
149.02307	2.4
150.03096	1.8
151.03891	50.1
152.04523	0.9
153.01808	19.4
153.05431	3.4
155.02095	0.7
155.03375	14.0
157.06464	1.5
159.04282	0.5
161.02315	0.5
162.03072	0.6
163.03926	0.6
165.05502	0.6
167.03383	2.4
171.04395	0.9
175.03891	2.6
179.03380	39.1
180.04021	1.6
185.05949	3.0
189.05353	0.8
191.07050	0.6
193.04973	0.6
199.03821	0.8
201.05382	0.8
203.03426	2.5
203.07016	0.8
213.05481	5.7
217.04948	1.8
231.06538	3.6
235.05962	0.7
241.04984	5.7
245.04514	0.7
259.05930	2.2
269.04468	2.4
274.56683	0.5
277.07016	4.3
287.05466	37.9
288.05887	1.3
305.06528	100.0
305.24722	1.6
306.06876	1.8
323.47162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01862	0.7
55.05505	0.6
56.96549	0.4
57.03433	0.4
58.07126	0.3
65.03938	1.9
67.01865	1.7
67.05491	2.0
68.99783	2.1
69.03421	1.8
69.07044	1.3
69.73842	0.9
69.74266	1.5
70.06574	0.3
71.98780	0.3
72.08144	1.0
79.05488	1.0
81.03408	0.5
81.07070	2.5
82.29057	0.3
83.04967	0.5
84.08131	0.5
85.02882	0.8
85.06514	0.6
86.09701	0.6
90.69870	0.4
91.05465	1.2
93.07047	2.0
95.04966	2.6
95.08617	2.0
97.02892	1.7
97.06509	0.4
98.21454	0.7
98.97578	0.8
105.03400	0.8
105.07005	1.3
106.45468	0.3
107.04931	0.8
107.08588	1.5
107.46929	0.3
109.02843	0.6
109.06474	0.4
109.10146	1.6
111.04433	5.1
114.05530	0.9
115.05431	0.5
116.98611	0.5
117.06976	0.5
119.08601	0.8
121.02860	6.6
121.06459	0.7
121.10133	0.8
123.04425	28.8
123.11658	0.6
124.07596	0.6
125.02318	0.4
125.09521	0.4
127.03905	2.2
129.06972	0.9
131.04872	0.4
131.08499	0.5
133.02846	1.3
133.10132	0.5
135.04425	2.0
135.08020	0.4
135.11647	0.8
137.02313	1.1
137.05966	0.8
138.05498	0.6
139.03909	4.6
139.05493	0.4
145.06410	0.5
145.10115	0.5
147.04427	1.4
147.11655	0.7
149.02336	36.4
149.13281	0.5
150.03014	1.0
151.03928	2.1
153.01819	100.0
154.02119	2.1
155.03432	0.6
157.06476	2.1
158.99644	0.4
159.11668	0.6
161.02299	2.6
161.05949	1.1
163.03903	1.0
163.07520	0.5
164.07082	0.7
164.10735	0.9
167.03400	9.3
171.02904	1.7
171.04274	0.3
173.13278	0.4
175.03897	0.5
175.07558	1.6
179.03387	2.0
185.05951	4.7
189.05428	0.5
192.10201	1.1
195.01088	0.8
195.02885	16.0
197.34561	0.4
203.03409	0.9
203.07002	0.6
205.08694	0.4
213.05453	7.1
217.04941	0.7
231.06517	23.4
232.06885	0.7
241.04979	3.1
242.05356	0.4
258.05344	1.1
259.06003	30.0
260.06277	0.8
269.04486	0.5
269.22742	0.5
284.09241	0.4
287.05505	9.6
287.08804	0.5
287.13885	1.5
287.23633	0.6
305.06525	6.8
305.14832	1.9
305.17969	0.9
305.24844	2.0
306.06961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02387	0.9
53.03945	0.7
55.01859	1.3
56.96548	1.1
57.03425	0.6
58.06565	0.7
59.04931	0.6
65.03925	2.9
67.01857	6.9
67.05495	3.2
68.99776	5.5
69.03407	2.5
69.07082	0.9
69.57547	1.3
69.57948	4.8
70.06575	2.7
71.04974	1.9
72.08143	4.5
76.54372	0.6
79.05489	0.9
81.03401	1.6
81.07043	1.6
83.01360	0.9
83.04963	1.0
84.08120	2.4
85.02901	3.5
86.09675	0.8
91.05469	1.3
93.03358	0.8
93.07028	1.1
94.06538	1.1
95.04971	3.6
97.02874	2.7
98.06014	0.7
98.09677	1.9
98.21471	1.1
99.04456	0.7
105.03359	1.5
105.07047	0.8
107.04945	1.9
107.08584	2.7
108.08093	0.8
109.02863	1.6
111.00772	0.9
111.04425	7.0
114.05521	1.0
115.05459	1.1
119.04877	1.1
120.08097	0.8
121.02869	9.2
121.06491	0.7
123.04417	65.2
124.04746	0.9
124.07616	0.8
124.11209	1.7
125.09597	5.1
127.03907	15.1
128.61885	0.7
129.01910	0.8
129.06982	1.3
133.02872	3.4
133.10121	0.8
135.04417	3.0
136.07550	5.7
136.11220	0.8
137.02328	2.2
139.03883	6.8
142.08669	0.7
143.07036	1.3
143.10686	4.8
144.08134	0.7
146.06032	1.2
147.04398	4.3
149.02332	60.6
150.03021	2.2
151.03906	5.4
153.01816	100.0
154.02223	1.3
157.06451	3.7
158.06024	0.7
160.07579	0.8
161.01160	0.9
161.02303	4.2
161.05963	1.6
162.05502	0.7
163.03918	1.2
164.07059	2.9
165.64886	1.6
167.03401	12.2
168.03679	0.6
171.02878	28.4
171.04326	1.1
173.13269	1.2
174.05577	0.6
175.03920	3.4
175.07512	2.0
179.03389	4.7
180.06604	0.7
181.75073	0.7
183.02965	1.0
183.21329	0.7
185.05939	8.3
185.07423	0.8
186.07587	1.1
188.10680	0.9
189.05499	1.3
195.02873	15.4
196.07591	2.1
197.05922	0.8
203.03439	2.7
203.06953	1.1
213.05444	13.8
214.08635	1.8
217.05005	1.7
231.06499	44.5
232.06903	0.8
232.09706	1.7
241.04860	4.6
241.13344	1.6
243.14957	2.6
245.04492	2.3
258.05270	2.5
259.05997	57.9
259.14352	1.4
260.06369	1.4
269.04593	0.9
269.12781	2.6
287.05484	24.0
287.10184	1.1
287.13739	2.6
288.05530	0.7
305.06558	17.0
305.11136	1.6
305.14539	9.1
305.18198	1.6
305.22235	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	305.0654
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02383	0.6
55.01857	2.5
55.05490	2.1
56.41272	0.6
56.96571	0.8
61.92153	0.6
63.65187	0.6
65.03931	3.2
67.01853	1.2
67.05505	3.7
68.99778	4.7
69.03411	1.8
69.07054	2.0
69.95995	2.6
69.96400	1.2
70.06570	2.7
72.08152	13.2
77.03898	1.0
79.05491	1.4
79.73598	0.6
81.03422	1.0
81.07034	2.3
83.04938	0.8
84.08151	1.6
85.02892	1.3
86.09705	3.9
89.03902	0.8
89.10766	1.1
91.05457	2.0
93.07034	1.7
95.04976	5.1
95.08611	1.0
96.30769	0.7
97.02871	2.2
97.06502	1.7
98.09708	0.8
98.97582	1.0
99.08016	0.7
105.03374	2.4
105.07024	2.0
107.04931	1.1
107.08582	0.8
111.00825	1.1
111.04451	7.5
111.08083	1.0
115.05424	0.9
116.46356	0.6
116.98645	1.1
119.04919	3.3
119.08591	1.1
121.02860	11.5
121.06507	0.7
121.10116	1.1
122.03619	0.9
123.04422	69.3
123.11680	0.7
124.04813	0.9
125.09615	0.7
127.03888	2.6
129.07013	1.4
131.04910	1.0
133.02847	5.1
133.06410	0.9
133.10172	1.0
134.99606	1.1
135.04436	4.3
136.07607	1.1
137.02309	0.8
137.05972	28.9
139.03893	54.6
141.06931	0.8
143.04916	1.8
145.06483	0.9
145.10059	1.0
146.06018	1.0
147.04401	18.6
147.11702	1.2
149.02332	72.6
150.03065	2.6
150.12738	1.2
151.03923	5.7
151.07494	0.7
153.01816	100.0
154.02264	1.7
157.06502	4.2
158.06023	0.9
161.02307	6.1
161.05965	2.1
163.03888	3.7
164.07047	1.5
167.03403	12.8
167.04730	0.6
169.06409	1.2
171.02882	1.3
175.07494	4.6
177.05502	1.2
179.03386	4.0
179.06982	2.8
181.06387	1.0
185.05986	9.2
186.07642	0.8
189.05496	1.3
193.08553	0.7
195.02875	20.1
203.03358	1.9
203.07124	0.8
204.10155	2.2
213.05441	15.0
218.11775	1.5
221.08112	2.0
231.06505	49.0
232.06853	2.1
237.64879	0.9
241.04970	7.5
258.05182	1.5
259.06003	64.7
260.06357	2.3
263.17606	1.8
269.04471	1.4
277.16586	2.5
287.05493	22.4
287.08902	1.3
287.13898	2.1
305.06577	16.4
305.10352	1.6
305.14655	4.0
305.18658	1.6
305.21652	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
54.61928	0.5
55.01850	1.1
55.05523	0.9
57.03432	3.3
58.02956	0.8
58.06578	1.1
60.04517	5.7
61.02915	3.2
69.03421	10.7
69.07063	31.0
69.53257	2.3
69.53687	2.5
70.06576	1.1
71.04968	1.3
71.08629	17.2
72.08144	1.9
73.02907	1.7
81.03414	6.1
84.04507	3.1
85.02898	54.9
86.02430	5.1
87.04494	0.7
89.13842	0.5
91.03960	1.2
96.04478	0.7
96.08115	2.7
97.02885	35.7
97.06525	5.2
98.20837	1.2
99.04459	2.5
103.03922	5.5
109.02869	8.6
112.02763	0.5
114.09161	16.6
124.07587	0.8
126.09180	0.8
127.03907	12.3
129.17664	0.5
133.02873	0.9
138.09131	2.4
142.08624	100.0
143.08954	1.8
145.04944	7.8
147.04417	1.3
152.10582	0.9
153.16663	0.5
156.10197	2.4
160.09697	0.6
163.05969	1.1
166.08638	1.1
172.09665	0.7
180.10191	1.1
183.08018	1.1
184.09677	67.6
185.09953	0.6
195.07825	0.6
208.09679	16.2
211.07632	1.0
220.09650	2.1
223.07498	4.8
238.10686	1.8
250.10745	9.2
258.44205	0.6
268.09412	2.7
268.12091	1.0
277.16681	0.7
286.12738	1.9
304.13852	4.3
304.16959	1.1
305.15787	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	305.0653
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
55.46787	0.8
65.03932	2.3
67.01846	1.5
67.05501	1.1
68.99791	3.0
69.03416	1.5
69.37845	5.6
69.38258	2.3
72.08147	1.1
77.03933	1.0
95.04946	4.1
98.20769	1.5
105.03360	1.2
107.05010	0.8
111.04449	4.8
121.02859	9.2
121.03722	1.0
123.04420	66.6
124.04755	1.1
127.03862	2.0
129.06989	1.1
133.02843	2.2
135.04379	1.6
137.02313	1.1
139.03902	4.2
145.06519	1.2
147.04492	1.5
149.02333	66.2
150.02968	1.8
151.03891	4.1
153.01817	100.0
154.02176	1.8
157.06448	3.7
161.02327	6.7
167.03381	13.1
171.02998	1.5
175.07509	1.2
179.03438	4.8
185.05989	8.6
189.05363	1.6
195.02893	21.2
203.03453	2.0
203.07257	0.9
210.00240	0.8
213.05444	12.2
231.06499	51.5
232.06927	1.5
241.04982	6.1
242.05515	0.8
258.05206	2.6
259.06003	72.8
260.06418	3.2
285.07468	1.5
287.05490	26.9
288.05841	1.4
305.06558	19.3
306.06915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01850	0.8
55.05481	1.0
57.03420	3.1
58.06585	1.3
60.04513	7.9
61.02904	2.8
62.66202	0.7
69.03423	11.1
69.07062	34.5
70.56895	2.3
71.04958	1.2
71.08627	19.0
72.08137	1.0
73.02897	2.7
81.03410	6.9
84.04487	3.1
85.02898	57.7
86.02423	5.7
88.04018	0.7
96.04464	1.3
96.08128	2.8
97.02882	36.9
97.06514	4.4
98.06047	0.9
99.04427	2.4
103.03938	4.7
109.02877	10.0
114.09149	16.1
124.07574	1.5
127.03895	13.8
131.10088	0.7
138.09134	3.4
142.08620	100.0
143.08942	1.1
145.04939	6.7
156.10197	2.0
163.05933	1.0
168.07335	1.5
180.10168	1.7
184.09676	75.4
208.09674	16.3
220.09662	2.2
222.11200	0.9
238.10719	2.3
250.10767	7.8
286.12842	1.8
304.13843	4.0
304.16919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1336
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
55.01860	0.4
55.05494	0.9
56.71443	0.3
56.96564	0.3
65.03917	0.5
67.05497	0.9
68.05008	0.3
68.99792	0.5
69.03419	0.9
69.07070	1.6
69.83920	0.3
70.06567	1.0
71.04996	0.6
71.06939	0.5
71.61948	0.4
72.08145	0.9
79.05474	1.4
81.07053	1.6
82.06553	0.8
84.08128	0.5
86.09688	1.0
87.10037	0.4
89.03909	0.7
91.05475	1.0
92.04988	0.8
93.07022	0.8
94.06561	1.8
95.04948	0.9
95.08591	0.8
96.04467	0.6
97.02874	0.9
97.06529	0.6
98.06052	0.5
105.07009	0.8
106.06532	1.8
107.04936	1.3
107.08571	0.7
109.06496	0.8
109.10129	0.4
110.06046	4.9
112.07578	1.1
113.07919	0.4
116.04951	0.7
118.06508	0.4
119.04971	0.7
119.08567	0.7
120.04445	10.9
121.02879	0.5
121.10173	0.5
122.06022	3.8
123.04395	0.9
124.07579	3.6
127.03882	0.4
128.00780	0.4
131.04909	0.4
133.10155	0.4
134.05998	3.3
135.04410	0.5
136.07553	0.3
136.43394	0.3
137.05974	1.0
138.05501	0.4
140.07045	7.6
141.07854	6.1
142.08617	17.2
143.08904	0.4
144.04462	0.7
145.02840	0.4
145.10132	0.4
147.04387	1.2
149.05949	0.9
153.01788	1.1
154.08711	1.8
159.08043	0.4
161.05923	0.4
162.05487	100.0
163.05930	3.0
163.07384	0.5
164.07050	1.1
167.07016	0.5
171.02890	0.4
173.06042	0.3
177.05458	0.5
211.07574	0.4
216.10150	1.9
217.13319	0.4
219.06503	1.7
226.08667	0.3
230.08011	0.6
240.10245	0.4
243.11238	1.2
244.09651	1.0
257.04486	0.5
258.11224	2.7
261.12311	6.8
268.09656	0.5
271.09500	0.8
279.13361	4.7
285.12341	1.8
286.10669	3.0
303.05515	2.1
303.08954	0.9
303.13333	17.9
303.16333	0.8
303.23242	0.8
304.13721	1.1
323.59259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	CHEBI:70191
Peak:m/z	Relative Intensity
50.82142	0.5
53.03934	0.5
55.01884	1.2
55.05484	0.7
61.27037	0.5
67.05495	3.5
68.99779	9.6
69.03408	1.0
69.07040	0.8
69.17742	0.5
69.55105	2.7
69.55515	1.3
71.04964	0.8
77.03952	0.4
79.05486	3.8
81.03410	0.5
81.07041	5.3
85.06525	0.8
91.05455	3.0
93.07028	4.6
95.04953	5.8
95.08590	3.0
97.02887	0.9
97.06516	0.5
98.20777	0.9
100.96963	0.5
103.05427	1.2
105.07021	2.1
107.04916	2.5
107.08575	1.6
109.10165	1.1
111.04401	0.6
117.07024	1.4
119.04901	0.6
119.08552	1.7
121.06505	5.3
121.10149	1.4
123.04415	100.0
124.04790	2.6
129.06982	0.9
130.06555	0.6
131.04845	0.5
131.08565	0.7
133.10121	1.3
135.04399	1.2
135.08055	1.5
135.11671	0.5
137.02411	0.5
137.06024	2.8
139.03865	0.8
141.05525	0.6
143.08562	0.5
147.04353	0.8
147.08040	2.4
147.11687	1.3
149.05966	61.4
150.06308	1.9
151.07536	1.1
160.05182	1.0
161.05901	0.4
163.07526	40.4
164.07878	1.5
165.05498	1.2
167.07028	23.3
168.07362	1.3
175.07521	8.4
181.08507	0.8
193.08597	0.6
215.06085	0.5
219.06519	1.9
267.10083	0.9
267.19540	0.8
272.09946	1.5
285.07739	2.2
285.11176	64.1
286.11539	2.7
303.05072	0.5
303.08200	4.2
303.12207	2.5
303.23105	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	303.1223
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
50.76272	0.2
52.32695	0.3
52.57346	0.3
53.03937	0.8
55.01860	0.5
55.05499	0.9
58.06573	0.4
64.20952	0.3
65.03932	0.7
67.05495	2.7
68.99779	0.7
69.03421	0.3
69.07058	0.6
71.04974	0.3
72.08173	0.3
72.56831	0.3
79.05484	3.3
81.03416	0.5
81.07047	3.2
83.08604	0.4
91.05466	6.5
93.07027	2.5
94.04189	0.8
95.04960	3.8
95.08610	1.2
97.02924	0.5
103.05487	0.7
105.03387	0.5
105.04526	0.3
105.07026	2.0
107.04943	1.2
107.08598	0.6
108.05739	5.0
109.02860	0.3
109.06517	7.3
109.10149	0.8
111.08076	0.8
119.08547	1.3
121.06486	2.8
121.10143	0.6
122.07284	0.8
123.04417	45.9
123.08060	0.8
123.11749	0.3
124.04661	0.4
124.05247	0.8
125.05996	1.5
131.08565	0.5
133.06480	0.6
133.10118	0.8
135.04407	3.4
135.08000	0.4
135.11702	0.3
137.05966	10.9
138.06747	1.6
139.07521	6.0
145.06499	0.3
145.10146	0.4
147.04376	0.5
147.11676	0.6
149.05971	6.9
151.07550	1.0
153.05421	0.4
153.09087	5.6
155.07042	3.3
155.08315	0.5
159.11665	0.4
161.13214	0.7
163.07561	0.5
165.09050	1.4
166.06288	0.4
167.07024	100.0
168.07378	2.1
173.13284	0.6
181.08580	29.8
182.08963	0.9
187.20299	0.3
188.82736	0.3
193.08583	4.5
219.06520	0.9
285.11377	0.3
285.22119	0.6
303.05185	1.7
303.08884	1.0
303.12241	25.4
303.23227	2.7
303.26550	0.6
304.12598	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1224
Annotation	CHEBI:70191
Peak:m/z	Relative Intensity
52.05486	0.3
53.00314	0.4
53.03937	0.6
55.01867	1.1
59.16484	0.4
65.03919	0.5
67.05497	3.4
68.99780	11.0
69.03429	1.1
69.07065	0.7
70.06588	1.1
71.01327	0.5
71.03658	1.0
71.06892	0.6
72.08155	0.6
79.05476	3.9
81.03411	0.6
81.07049	4.9
85.02897	0.8
85.06532	0.6
91.05464	4.5
93.07037	3.5
95.04967	4.9
95.08594	3.5
97.02881	7.8
97.06475	0.7
103.05482	2.1
105.04532	0.4
105.07008	1.5
107.04963	2.9
107.05569	0.6
107.08601	2.0
109.06495	0.6
109.10165	1.1
111.00867	0.4
111.04443	0.5
112.07562	0.8
113.07951	0.6
115.05420	1.0
117.03349	1.1
117.07011	1.3
119.08566	1.3
121.06487	5.4
121.10115	0.9
123.04414	100.0
124.04733	2.0
125.05981	0.8
128.06195	0.5
129.06976	1.2
131.04921	0.8
133.06425	0.7
133.10184	0.7
135.04391	0.8
135.08020	1.5
135.11740	0.8
137.05952	2.1
139.03883	3.5
140.07109	0.4
145.02827	2.5
145.06474	1.1
146.05981	0.5
147.04395	1.5
147.08040	3.4
149.05963	63.1
150.06314	1.3
151.03899	0.4
151.07484	1.5
153.01817	9.4
153.05447	4.2
157.06432	0.5
159.08049	0.5
160.05244	1.1
161.05931	1.0
163.03893	1.0
163.07526	37.9
164.07930	0.8
167.07027	22.4
168.07339	0.5
169.06448	0.4
171.02856	1.4
173.05962	1.2
173.13112	0.4
175.07529	7.9
176.04683	1.0
177.05458	4.6
179.03392	1.1
181.08577	1.1
183.08055	0.5
187.07501	0.4
188.07042	0.4
191.07002	1.1
193.08620	1.0
201.05463	0.9
204.04132	0.6
205.08598	0.6
211.07455	0.5
218.45160	0.5
219.06519	20.6
220.06804	0.5
229.05052	0.6
239.11607	0.7
267.11050	1.2
271.09399	0.6
275.09045	0.5
285.11172	60.3
286.11536	2.3
303.04956	2.4
303.08530	14.1
303.12271	2.3
303.23047	0.6
304.08765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Homoeriodictyol chalcone
Peak:m/z	Relative Intensity
50.28767	0.2
55.01857	0.5
67.01856	7.5
67.05482	0.5
68.99783	3.8
69.03424	1.4
70.06553	0.3
79.01892	0.3
81.03375	0.6
81.07050	0.5
83.01311	0.7
85.06528	0.3
86.35380	0.2
89.03900	3.6
91.05464	1.0
93.03402	0.5
93.07018	0.7
95.04973	0.3
95.08623	0.5
97.02875	2.4
98.20792	0.8
105.07025	0.4
107.08535	0.3
111.00774	0.9
111.04419	1.3
117.03355	11.8
119.04920	0.6
121.10085	0.3
122.03657	0.3
123.04388	1.5
125.02319	0.8
125.05970	1.2
127.03924	0.6
129.01816	0.9
131.65993	0.3
133.10063	0.2
134.03601	1.1
135.04408	1.6
137.05956	5.0
139.03865	0.6
145.02829	26.6
147.11636	0.2
149.05951	4.3
151.03896	1.2
151.07526	3.2
153.01808	100.0
154.02145	0.9
155.08597	0.3
162.03128	0.5
163.03876	1.4
171.02864	34.3
172.03131	0.3
177.05449	38.8
178.05754	0.4
179.03381	10.3
186.05463	0.8
191.07005	0.3
201.05524	0.4
213.16275	0.3
219.06487	2.7
225.05357	0.3
246.73328	0.3
261.07675	0.4
270.05029	0.3
285.07574	1.3
303.08591	75.1
304.08783	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	303.0862
Annotation	6-Hydroxy-1,2,5-trimethoxyxanthone
Peak:m/z	Relative Intensity
53.00311	0.4
53.03912	0.3
55.01851	0.5
55.05492	0.6
57.03426	0.3
64.23223	0.3
65.03934	0.7
67.05499	1.6
68.99790	0.4
69.03117	0.3
69.03428	2.6
69.07050	1.4
70.01527	1.1
70.01948	0.6
70.06591	0.6
71.04961	0.5
71.06901	0.3
72.08144	0.3
79.05485	1.4
81.03397	0.6
81.07050	1.8
83.04956	0.6
83.08595	0.3
85.02908	0.4
89.03938	0.3
91.05482	2.6
92.05021	0.5
93.07052	2.1
93.21207	0.3
94.04176	0.3
95.04953	1.2
95.08616	1.7
97.02885	37.6
97.06502	0.6
98.20781	0.3
102.04667	0.9
103.05450	2.4
103.17271	0.3
105.07039	2.1
107.04956	0.6
107.08607	1.5
107.14374	0.3
109.06507	0.5
109.10120	0.8
111.00815	0.4
111.04405	0.4
112.07562	0.4
115.03897	1.2
115.05444	3.7
116.06254	0.5
117.07030	1.5
118.04152	0.5
119.04944	0.5
119.08564	1.5
120.05764	0.3
121.06472	0.7
121.10135	0.7
122.03614	0.3
123.04408	0.8
123.08031	0.3
123.11672	0.6
127.03876	0.3
129.01826	0.5
129.06981	0.5
130.04131	1.2
131.04918	2.4
131.08559	0.6
132.05667	0.5
133.06470	0.6
133.10097	1.0
135.04341	0.5
135.08040	0.9
135.11676	0.6
137.05969	5.6
138.05510	3.1
138.09114	1.0
139.03876	1.2
141.06990	0.5
143.04907	0.7
143.08536	0.6
144.05687	1.0
145.02855	0.4
145.06485	3.3
145.10143	0.6
146.03603	1.1
147.04367	1.5
147.11687	1.6
148.05183	2.5
148.20355	0.3
149.05986	0.8
151.07483	1.0
153.01849	0.6
153.05479	1.0
153.06946	0.8
155.08560	0.5
157.06483	0.4
157.10117	0.6
158.03603	3.1
159.04427	1.5
159.08041	0.6
159.11639	0.5
160.05124	0.4
161.02322	0.7
161.05962	0.8
162.06691	0.4
163.03860	0.6
163.07535	1.1
165.06978	1.7
166.04985	5.1
167.07028	1.1
168.05659	0.8
169.06374	0.6
171.04388	0.9
171.11723	0.4
172.05177	0.6
173.05986	4.6
173.13229	0.5
174.03111	0.4
175.03915	0.5
175.07489	0.5
175.11153	0.6
175.14714	0.3
176.04697	4.8
177.05444	0.4
177.09061	0.6
181.05052	0.5
181.06406	0.6
183.08063	1.5
185.05952	0.4
185.13182	0.4
186.06729	0.4
187.07518	0.8
187.14874	0.4
189.05457	0.7
190.06293	0.7
191.03445	0.4
191.07025	5.2
196.05148	0.5
197.05940	0.5
199.04028	0.3
199.07417	0.4
199.14890	0.4
200.04616	0.4
201.05437	4.6
204.04176	5.2
205.08578	1.9
211.07588	1.1
212.10666	0.5
213.05434	0.8
213.09232	0.3
214.06213	0.8
215.06940	0.8
215.10625	0.4
217.05028	0.4
217.12199	0.5
219.06509	100.0
220.06793	2.0
221.08066	0.5
225.08990	0.3
227.03311	0.3
228.04190	0.4
229.08572	0.4
231.06549	0.6
232.07288	0.4
239.07082	0.4
239.11792	0.7
242.05812	0.9
243.06340	0.5
243.10175	1.1
245.08272	0.3
247.09648	1.3
253.14258	0.5
257.08328	0.6
257.12842	1.7
259.06036	0.3
259.09500	0.5
260.06876	0.4
260.12775	0.5
264.83444	0.3
271.05969	1.3
271.09427	1.8
272.11642	1.4
274.09619	1.7
275.09216	1.1
275.13809	1.1
285.07510	1.7
285.12320	2.6
285.22186	0.5
288.06131	0.5
303.05496	1.2
303.08594	30.0
303.13297	14.3
303.19354	0.6
303.22876	1.7
303.26343	0.3
304.08865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Homoeriodictyol chalcone
Peak:m/z	Relative Intensity
55.01867	0.6
67.01516	0.6
67.01857	7.6
67.05473	0.8
68.99776	3.3
69.03409	1.9
71.05005	0.4
79.01834	0.3
79.05476	0.7
81.03400	0.7
81.07059	0.8
82.02580	0.4
83.01342	0.7
85.02867	0.4
89.03909	3.7
91.05466	1.1
93.03390	0.5
93.07043	0.8
95.04934	0.4
97.02885	2.7
98.20708	1.0
99.79660	0.3
103.05449	0.3
105.07037	0.8
107.08545	0.8
109.10143	0.6
111.00790	0.7
111.04424	1.6
117.03367	12.1
117.07021	0.4
119.04955	0.6
119.08573	0.8
121.10140	0.6
122.03670	0.4
123.04410	1.2
125.02305	0.9
125.05973	1.0
127.03902	0.7
129.01819	1.0
134.03590	1.0
135.04417	1.7
137.05965	3.8
145.02829	27.1
146.03223	0.7
149.05971	4.3
151.03891	1.3
151.07529	3.7
153.01811	100.0
154.02162	1.4
159.97298	0.3
162.03108	0.7
163.03862	1.5
171.02870	33.2
172.03197	0.5
177.05450	38.9
178.05797	0.7
179.03375	9.2
186.05449	0.8
191.07077	0.5
197.05878	0.6
201.00696	0.4
219.06535	2.7
229.29797	0.5
285.07532	0.9
287.05457	0.7
303.08597	73.7
303.23309	1.0
304.08969	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37575	0.1
53.23627	0.2
56.96562	0.5
63.20120	0.1
66.12157	0.1
69.24998	0.1
69.63938	1.3
82.99893	0.3
98.97584	1.3
99.97916	0.2
101.00880	0.3
116.98624	1.4
118.99112	0.2
119.01913	4.4
120.02030	0.3
120.97901	0.2
134.99654	2.5
136.00037	0.3
137.02940	3.1
138.03069	0.2
153.00726	0.8
158.01244	0.2
158.99890	0.3
173.28122	0.1
176.02553	0.1
177.00940	10.9
178.01027	2.3
179.00664	0.8
180.00859	0.2
182.99898	0.4
192.86237	0.1
193.04022	0.2
195.02026	0.3
199.03082	0.1
200.02515	0.3
201.00838	0.8
202.01016	0.2
203.00813	0.2
217.04063	2.3
218.03668	1.0
219.01991	20.4
220.02098	4.1
221.01738	2.3
222.01910	1.3
222.48293	0.2
223.01482	0.3
225.00804	2.1
226.01173	0.5
229.43919	0.2
234.99867	0.2
235.99951	0.3
236.99716	0.2
242.03525	0.8
243.01926	5.9
244.02042	1.1
256.96799	0.2
258.99786	0.2
260.04825	0.4
261.03030	100.0
262.03165	20.2
263.02939	1.9
266.03680	0.5
274.97510	0.3
277.00949	0.4
279.00494	2.9
280.00775	0.9
281.00089	0.2
284.04614	7.2
284.99963	1.5
285.04825	2.3
297.97949	0.2
301.01144	0.4
302.01932	0.2
303.00815	3.1
303.05386	6.1
304.00821	0.3
304.05576	0.3
307.05975	0.3
320.98007	0.4
321.01578	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
57.03437	0.8
68.99809	0.5
69.03425	2.6
69.07078	0.6
70.06588	100.0
71.04984	1.1
71.06916	0.8
71.20877	1.0
72.08154	1.5
73.02906	0.4
74.75262	0.4
79.05494	0.8
81.03420	2.9
81.07046	0.8
85.02915	2.7
86.09697	1.0
91.05470	0.9
91.49249	0.5
93.07025	0.6
95.04990	0.8
95.08568	0.4
97.02890	5.1
98.06047	1.5
99.04443	1.4
105.06999	0.5
109.02869	3.5
112.07597	76.4
113.07939	1.3
115.03922	0.4
116.07076	2.8
119.08589	0.5
121.02871	0.5
122.97056	0.4
123.04417	4.0
124.04771	0.8
127.03938	4.1
129.10268	0.9
137.05942	1.1
138.91077	0.4
139.03899	0.5
140.03477	0.7
140.07057	29.8
141.01741	0.6
145.06470	0.4
146.10579	0.4
146.11748	0.5
147.04333	0.7
149.06006	1.1
153.01810	1.5
158.08107	13.7
163.03885	0.7
167.03389	1.6
167.07007	0.7
201.05371	0.7
204.04111	0.4
212.09117	1.9
219.06493	6.5
221.05826	0.4
228.07561	0.5
230.10193	2.3
243.10205	0.4
245.13371	0.4
266.10239	1.2
284.11206	3.5
285.07510	0.8
285.11111	0.6
302.07370	0.9
302.11768	2.7
302.21948	0.5
303.04843	3.2
303.08539	4.4
303.11987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30902	0.7
54.55894	0.7
55.01851	2.1
55.05502	1.6
56.35781	0.7
56.96558	1.7
57.03426	1.5
61.02916	1.9
63.56419	0.7
65.03925	1.6
67.05498	27.6
69.03426	14.6
69.07058	10.1
69.40710	5.0
69.41116	2.5
70.06580	8.0
71.04975	2.6
72.08127	3.5
72.19520	0.7
73.02886	1.6
81.03415	5.8
81.07050	0.8
84.04498	1.1
84.08120	2.9
85.02896	39.0
86.09677	1.4
93.07027	0.8
94.06558	2.0
95.04959	42.0
97.02886	30.3
98.06044	1.1
98.09720	0.9
98.97555	0.8
99.04456	1.9
102.05525	0.8
103.03909	3.2
107.04912	1.3
109.02870	7.8
110.02389	0.9
112.07598	37.9
113.05982	3.1
116.98615	1.4
122.05997	2.8
123.04418	2.4
124.07553	2.1
127.03914	10.3
130.08604	1.7
136.07542	2.8
137.05954	1.2
138.09067	0.9
140.07050	100.0
141.07375	2.2
145.04930	3.4
146.99663	1.0
147.04370	2.8
150.09085	1.4
154.08617	6.0
158.08109	2.2
163.03792	1.1
164.07060	2.0
170.08157	0.8
173.07108	1.0
177.60262	0.9
178.08607	4.0
182.08110	55.9
183.08388	1.5
197.05869	1.0
206.08102	13.1
208.09737	1.4
208.50395	0.8
218.08073	2.0
218.11812	0.9
220.09616	1.0
236.09140	3.2
248.09196	8.7
256.62253	0.7
266.10080	1.4
267.11258	1.0
284.11151	1.4
287.05026	1.2
302.04178	1.0
302.07321	4.0
302.12198	3.1
302.18451	1.1
302.67389	0.8
303.08441	1.1
303.13443	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26310	0.3
50.76623	0.3
53.03946	0.6
53.47696	0.3
54.15079	0.3
55.01854	0.6
55.05505	0.4
55.63914	0.3
57.03428	0.9
60.04487	0.4
61.02908	0.9
63.17849	0.3
65.03925	0.4
67.05503	1.7
68.99787	0.5
69.03423	3.1
69.60878	0.9
69.61285	2.3
70.06590	8.9
71.04985	0.5
72.07500	0.3
72.08150	3.3
73.02886	0.7
79.05476	0.9
81.03410	2.3
81.07029	1.5
82.07332	0.3
84.08141	0.8
85.02901	19.0
86.03275	0.3
86.09682	1.3
89.32745	0.4
91.05460	0.7
93.07059	0.4
94.06561	0.8
95.04958	1.2
95.08585	0.4
96.04454	0.4
97.02267	0.7
97.02887	9.8
97.06548	0.4
98.06028	0.7
99.04446	0.7
103.03922	0.8
103.05449	0.3
107.04944	0.6
108.05234	0.4
108.08113	2.9
109.02887	3.1
110.06001	0.5
112.01619	0.3
112.07603	7.6
122.06007	1.5
123.04424	1.5
124.01498	0.6
124.04733	0.4
125.01919	0.4
125.05965	1.1
126.05483	1.0
126.09130	1.0
127.03921	4.6
128.07117	0.8
130.08618	0.4
132.10161	0.4
134.03618	5.6
135.03935	5.0
136.07584	4.0
137.05952	0.4
140.07059	13.7
141.07437	0.4
143.11772	1.1
145.01711	0.3
145.04967	3.2
145.06087	0.5
146.11919	0.3
147.04401	1.1
149.05901	0.5
150.09131	1.1
152.01080	0.5
152.07051	4.7
153.01831	6.5
153.05428	0.6
154.02151	5.0
154.08589	1.5
158.08104	1.5
162.05424	0.4
163.03906	0.4
163.06038	0.8
164.07076	5.5
167.03421	1.7
167.07034	0.3
168.03748	1.5
170.02097	1.0
171.02397	1.0
171.11253	0.5
178.08629	2.8
182.08116	21.7
183.08336	0.4
203.06599	0.8
203.12112	0.4
203.13866	0.6
204.07133	0.4
206.08102	8.9
207.13696	0.5
209.17702	0.3
214.05923	0.4
218.08301	0.7
220.35889	0.4
224.37932	0.3
229.04929	1.5
230.05328	5.7
231.06036	2.9
236.09146	0.8
241.04768	0.3
242.05301	0.5
246.08398	0.6
248.09137	2.7
256.06808	0.5
257.04419	0.4
258.04950	0.5
259.05630	1.0
270.04782	1.6
284.06281	0.7
286.04318	6.9
287.05029	25.3
288.05264	1.4
302.07385	100.0
303.04633	0.6
303.07639	6.8
303.13049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2523
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
54.37526	2.1
55.05500	3.9
57.11105	1.8
67.05482	11.6
69.07052	7.1
71.63468	2.7
79.05489	10.2
81.07052	18.3
83.08582	2.7
91.05457	12.5
93.07035	25.0
95.08599	18.3
97.06511	2.8
105.07032	27.5
107.08591	21.3
109.10152	11.9
112.10742	2.1
117.07016	3.3
119.08575	23.3
121.10133	12.2
123.11714	10.7
131.08556	8.7
133.10107	12.5
135.11667	11.0
143.08580	2.0
145.10107	10.6
146.45174	1.7
147.11661	29.7
149.13202	6.2
159.11694	8.5
160.34616	1.9
161.13245	51.7
173.13271	12.3
175.14822	7.3
179.14200	2.9
187.14818	11.2
189.16365	5.1
191.14323	17.6
192.76529	1.9
201.16335	5.1
205.15958	3.1
213.16324	4.5
227.17950	2.1
283.24188	26.5
286.04797	2.6
301.07089	7.5
301.25232	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	302.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98793	34.2
69.99205	35.1
80.15962	12.6
89.15260	11.4
100.07653	16.7
134.06027	16.0
137.94182	14.9
143.96086	14.5
152.07037	40.9
273.09018	16.4
282.63510	15.0
302.02570	100.0
302.11832	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
55.05518	0.6
57.03415	2.6
61.02914	1.8
65.03929	1.4
67.05500	25.7
67.14645	0.6
68.05805	0.7
69.03422	13.9
69.07062	10.2
69.32004	2.5
69.32429	4.6
70.06583	2.4
71.04967	0.9
72.08154	4.2
73.02904	1.2
81.03410	4.5
84.08143	3.4
85.02899	37.3
86.09700	2.2
87.37247	0.5
91.03928	0.7
94.06556	0.9
94.85139	0.6
95.04961	43.5
96.05282	0.9
96.08131	0.7
97.02885	31.8
98.06033	0.7
99.04445	1.6
103.03928	3.8
109.02865	7.1
110.02379	0.7
110.06040	0.8
112.07595	33.3
113.06012	3.1
114.58513	0.8
115.03941	0.8
119.04940	0.7
122.06017	2.1
123.04388	1.4
124.07567	2.4
127.03912	8.6
129.10223	1.7
136.07576	2.0
140.07053	100.0
141.07384	2.0
145.04982	3.0
147.04399	2.4
147.47380	0.6
150.09132	0.6
152.07071	0.9
154.08572	5.7
163.16441	0.6
164.07056	0.8
170.08183	0.6
175.08000	0.6
178.08647	3.4
182.08116	56.4
183.08456	1.7
206.08124	13.8
208.09711	0.9
218.08163	1.3
220.09694	1.1
223.51057	0.6
233.48595	0.6
236.09177	2.3
248.09161	8.8
284.11304	1.2
300.82733	0.7
302.12192	2.6
303.13535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01867	1.9
55.05504	1.6
57.03189	0.2
57.03436	3.2
64.33634	0.2
65.03928	0.3
67.05502	6.3
68.99770	1.0
69.03410	0.5
69.07063	1.5
69.30279	0.2
69.46750	0.8
69.47175	0.8
70.06585	2.5
71.04975	0.8
72.08141	0.5
73.02907	0.2
79.01781	0.2
79.05486	6.5
79.70351	0.2
81.03420	1.3
81.07052	4.8
81.82655	0.2
83.04535	0.3
83.04975	3.1
83.08607	0.6
85.02890	0.5
85.06512	0.7
89.03908	0.8
91.05476	3.9
93.03404	0.3
93.07037	6.6
95.01302	0.4
95.04964	2.3
95.08591	2.1
97.02882	0.4
97.06534	2.2
97.56926	0.2
98.97540	0.2
99.04438	0.8
103.05470	0.4
105.03377	0.3
105.07028	1.7
107.04947	4.8
107.08590	3.2
109.02879	0.3
109.06499	0.6
109.10139	0.7
111.00788	0.3
111.03690	0.3
111.04436	4.7
111.08067	0.9
112.07601	1.7
113.06054	0.3
115.05442	0.5
116.98658	0.2
117.03373	0.4
117.07007	2.3
117.81026	0.2
119.04932	0.2
119.08572	2.3
121.02892	0.3
121.06493	0.9
121.10128	5.4
123.00763	0.8
123.04424	1.9
123.08051	0.8
124.01570	1.1
125.05997	0.5
127.03911	0.3
128.06224	0.4
128.57047	0.2
129.06985	1.1
130.07823	0.4
131.04895	1.2
131.08557	1.9
133.06511	0.3
133.10100	0.4
134.03629	6.8
135.04143	0.2
135.08052	0.4
135.11687	4.7
137.05960	0.8
137.09650	0.2
140.07053	0.4
141.06961	0.2
143.04942	0.3
143.08572	0.5
145.06465	1.7
145.10110	5.7
145.11253	0.3
147.04405	0.6
147.08006	0.4
147.11697	0.4
149.02338	1.0
149.05998	0.5
149.09590	0.9
151.03841	0.2
152.01024	0.4
152.06281	0.2
153.01814	13.9
153.06938	0.4
153.12750	2.0
154.02173	0.6
155.08537	1.3
157.02892	0.3
157.06509	1.1
158.08118	0.4
161.02383	0.2
161.06056	0.3
163.11171	7.3
163.12520	0.4
165.05522	0.2
165.07047	0.2
165.08992	0.2
167.07069	0.3
167.08539	0.2
169.06429	0.2
170.02092	2.4
171.04408	0.5
173.06075	0.3
173.09612	3.9
174.06793	0.3
175.03894	0.5
177.09088	0.3
179.03571	0.2
181.06477	0.3
181.12236	3.6
185.05934	1.1
187.03889	0.8
191.10645	4.3
197.05972	0.5
198.06685	0.2
199.03906	1.0
201.05470	0.7
202.06212	1.4
209.11713	1.8
212.04655	0.7
213.05447	5.0
213.09001	0.2
214.05750	0.3
217.04869	0.3
226.09712	0.2
227.03358	0.3
227.12778	2.7
229.04948	11.7
230.05713	4.2
240.04099	0.3
241.04945	17.1
242.05286	1.3
245.08040	1.4
255.12376	1.3
257.04456	0.6
258.05273	1.2
265.14285	0.4
268.03693	0.6
269.04428	20.9
270.04797	1.5
273.07623	0.6
283.06131	0.3
283.15384	1.3
284.10425	0.5
285.03943	2.6
286.04700	23.1
287.05103	1.7
289.06546	0.3
301.07056	100.0
301.16281	12.6
302.07410	6.6
302.11008	0.4
323.09045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.6
55.05502	13.1
57.03437	24.4
57.07041	3.5
62.80292	2.9
67.05498	50.5
68.82808	2.9
69.07048	9.1
69.57194	22.2
70.53687	2.4
71.04991	3.5
71.08607	2.6
72.98150	3.1
79.05486	43.0
81.03386	7.7
81.07044	37.3
83.04983	19.6
83.08602	7.4
85.06529	6.7
91.05484	21.5
93.07033	44.8
95.04949	17.6
95.08589	18.0
97.06525	16.9
97.10168	5.0
97.68723	3.0
99.04446	3.4
105.07011	15.3
107.04942	30.7
107.08576	21.9
109.06483	5.7
109.10130	12.2
111.04421	21.8
111.08041	7.3
117.07012	14.3
119.08571	16.0
121.06515	5.2
121.10131	34.5
123.04409	10.1
123.08009	3.6
125.09547	3.3
129.07005	4.8
131.04922	4.8
131.08537	13.6
133.10100	5.9
135.08061	3.7
135.11668	32.4
136.54764	3.0
137.02328	4.5
145.06464	5.3
145.10104	38.2
147.08003	4.2
147.11592	2.8
149.09631	7.0
153.12712	11.4
155.08485	6.6
163.11163	45.0
165.05365	3.7
173.09612	25.0
181.12228	26.2
190.96257	3.9
191.10649	27.8
209.11684	10.2
223.11113	9.0
227.12801	21.0
241.04858	5.1
246.98985	3.6
283.15393	7.7
286.04623	7.9
301.03708	4.2
301.06995	29.5
301.10440	4.2
301.16394	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01872	13.0
55.05511	13.2
55.09943	2.3
56.28474	2.3
56.46654	2.4
56.96556	2.5
57.03438	29.1
57.07064	3.9
67.05501	57.2
69.07047	9.5
70.43277	8.8
70.43633	2.8
71.04969	7.0
79.05488	50.6
81.03407	10.9
81.07056	40.5
83.04977	23.7
83.08576	5.5
85.02896	3.4
85.06543	6.2
88.62717	2.6
91.05487	27.3
93.07040	59.2
95.01322	2.8
95.04960	16.6
95.08617	20.0
97.06534	19.9
98.20813	3.1
99.04441	6.6
105.07022	14.0
107.04954	50.4
107.08594	30.1
109.06512	6.6
109.10122	7.7
111.04443	35.6
111.08065	5.9
113.06002	2.8
117.07019	18.9
119.08588	20.8
121.06491	6.6
121.10131	40.8
123.04470	4.4
123.08083	3.4
123.11674	2.4
129.06992	6.1
130.07832	3.0
131.04935	5.4
131.08560	17.3
133.10126	6.5
135.08044	4.3
135.11694	38.9
145.06467	9.2
145.10110	44.1
147.11679	3.7
149.09694	7.2
149.13303	2.6
153.06937	2.5
153.12747	19.0
155.08565	6.3
163.11157	55.3
165.05511	3.6
173.09604	32.3
175.03943	2.5
181.12236	26.9
191.10645	37.2
209.11729	12.5
227.12817	22.9
283.15369	7.0
286.04803	5.9
301.03668	4.8
301.06973	19.2
301.10684	4.0
301.16470	100.0
301.21753	5.4
302.07394	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	301.1067
Annotation	(6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpan
Peak:m/z	Relative Intensity
50.77582	0.2
52.68360	0.3
53.03945	0.6
55.01866	0.5
61.90596	0.2
65.03918	0.7
67.05499	2.9
68.99784	0.5
69.03432	0.4
69.37479	2.1
69.37884	0.5
79.05491	2.4
81.07046	1.0
86.08249	0.3
91.05473	1.8
93.07009	0.5
95.04955	5.3
103.05466	1.5
105.07015	4.6
107.04948	0.5
107.08588	0.5
109.06497	0.7
115.05437	1.7
117.06995	3.6
120.05753	0.3
121.06488	0.7
123.04416	100.0
124.04790	0.6
131.04901	0.4
133.06482	7.1
135.04381	0.8
135.08023	1.3
137.05965	0.6
139.07594	0.3
145.06462	1.4
147.04372	0.7
149.05956	0.9
153.05473	0.9
159.04468	0.3
161.05956	0.9
163.07561	0.6
165.05470	5.2
167.07018	2.7
167.08380	0.4
173.05957	0.4
176.04681	0.8
179.07027	13.2
181.06352	0.2
191.07016	7.4
191.08765	0.4
192.07336	0.3
199.07558	0.5
201.05606	0.2
213.08983	0.5
223.07588	0.4
241.08592	0.9
250.89822	0.3
255.10133	0.3
258.92526	0.2
269.08069	1.5
270.08133	0.3
273.11237	0.5
283.09689	1.1
287.16849	0.2
301.10675	21.2
302.10886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1066
Annotation	7-Hydroxy-3',4'-dimethoxyisoflavanone
Peak:m/z	Relative Intensity
52.55699	0.2
53.03939	0.7
54.77203	0.2
55.01868	0.4
65.03930	0.7
66.51117	0.2
67.05490	1.9
68.99777	7.6
70.07905	0.6
70.08323	0.6
77.03928	0.3
79.05472	1.4
81.03407	4.2
81.07043	1.4
82.04183	0.5
85.02892	0.5
91.05471	7.7
93.07011	0.6
94.04205	0.3
95.04954	4.0
95.08566	0.2
96.02071	0.2
97.06522	2.9
103.05451	0.6
105.03381	2.2
105.04491	0.4
105.07000	0.6
107.04937	1.3
109.02863	0.5
109.06494	3.4
111.04424	3.2
115.05422	0.3
121.02853	0.9
121.06480	0.8
123.04411	33.5
124.04749	0.5
127.03889	0.5
131.04919	0.4
133.02838	0.3
133.06491	0.6
134.03680	0.2
135.04417	0.5
135.08049	1.3
136.05167	0.5
137.02319	73.2
137.05923	5.5
138.02721	1.2
139.03865	0.2
148.05135	0.8
149.02322	1.9
149.05952	4.1
151.03874	0.8
151.07501	1.3
157.06444	0.3
161.05956	0.5
163.03851	0.7
163.07526	6.4
164.04662	0.3
165.05452	100.0
166.05791	1.8
179.07014	14.9
180.07263	0.3
185.05873	0.7
189.96397	0.2
191.03415	1.1
191.07011	1.5
213.05414	1.7
241.04872	1.5
245.07991	0.8
255.06444	0.5
257.86292	0.2
269.04419	0.3
272.06775	0.6
273.07642	0.5
273.11188	0.4
286.04617	0.6
301.06976	17.8
301.10608	51.6
302.07269	0.8
302.10941	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1067
Annotation	Astraciceran
Peak:m/z	Relative Intensity
55.01864	0.5
55.05498	0.8
56.96556	0.6
57.76358	0.4
67.05499	4.1
68.99792	0.6
69.03413	0.9
69.07051	1.0
69.60354	3.4
79.05483	3.2
79.71237	0.3
81.03420	0.6
81.07040	2.3
83.08588	0.5
91.05474	2.5
93.07037	2.2
95.04959	6.4
95.08578	1.4
98.20812	1.1
99.04427	0.5
103.05445	1.3
105.07027	6.0
107.04927	1.7
107.05652	0.5
107.08578	1.7
108.05278	0.6
109.06520	1.1
109.10143	1.0
115.05455	1.1
117.07017	4.2
119.04955	0.7
119.08551	0.9
121.06480	1.6
121.10131	1.2
123.04417	100.0
123.11619	0.5
124.04727	1.3
126.64504	0.4
131.04926	0.8
133.06482	7.2
133.10107	0.7
134.03590	0.6
135.04404	0.6
135.08041	1.4
137.02345	0.4
137.05933	1.0
143.08594	0.6
145.06482	1.9
145.10135	0.8
147.04373	1.6
147.11711	0.6
149.05948	1.6
151.03862	0.5
153.01837	2.2
153.05432	1.6
153.06969	0.7
155.08516	0.5
159.11630	0.6
161.05991	2.0
163.07489	0.8
163.11145	0.6
165.05496	6.9
165.06894	0.8
167.07027	3.7
167.08450	0.5
171.11606	0.5
173.05896	0.9
173.13269	0.5
175.03865	1.1
175.07494	0.7
176.04724	1.1
177.05472	0.6
179.03415	1.7
179.07024	13.1
181.06393	0.7
183.08014	0.7
185.06082	0.5
187.03854	0.6
191.03400	1.4
191.07002	7.7
195.07977	0.4
198.06717	0.5
199.07568	0.6
209.95598	0.4
213.05405	0.7
213.08989	0.8
223.07623	0.9
226.06165	0.7
229.05064	1.5
230.05748	0.7
241.04977	2.6
241.08606	1.7
251.06693	0.6
255.06523	0.8
255.11235	0.5
258.05148	0.6
269.04492	2.8
269.07993	2.8
272.57367	0.5
273.11243	0.6
283.06003	2.9
283.09625	1.3
286.04727	3.8
286.07785	0.7
301.03485	0.8
301.07028	17.0
301.10699	27.8
301.16174	2.1
301.21567	2.3
301.25052	0.9
302.07629	0.6
302.10925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59427	0.2
53.61765	0.2
54.84050	0.2
55.05493	0.4
65.50124	0.2
65.83859	0.2
68.99780	0.8
71.07963	0.5
82.06559	0.2
89.03907	0.8
91.05425	0.3
92.93669	0.2
100.11237	0.6
110.06030	0.3
111.00816	0.2
115.05417	0.2
117.03378	0.3
121.06456	0.2
123.00800	0.9
123.04397	0.6
124.01548	1.6
128.06271	0.2
129.06964	0.2
131.04907	0.7
133.02689	0.2
134.03622	5.6
141.61646	0.3
145.06425	0.3
149.02330	0.9
152.01004	1.0
153.01808	12.3
157.02863	0.2
157.06470	0.7
161.02318	0.4
161.05981	0.3
165.01810	0.2
167.03403	0.7
170.02115	1.6
171.04359	0.4
173.05928	0.4
174.06679	0.3
175.03894	0.5
182.15419	0.2
183.15846	0.2
184.05193	0.2
185.05943	1.0
187.03859	0.4
189.05360	0.2
197.05861	0.4
199.03920	1.0
201.05447	0.6
202.06192	1.0
205.16573	0.5
210.14796	0.2
212.04701	0.5
213.05428	4.5
214.05840	0.2
215.97940	0.2
219.16396	0.6
229.04938	9.8
230.05721	4.2
231.06328	0.5
240.04115	0.4
241.04919	14.1
242.05251	0.5
244.03868	0.2
245.08064	0.8
257.04492	0.4
258.05200	3.1
259.05585	0.2
268.03671	0.5
269.04419	18.7
270.04788	0.6
273.07657	0.4
282.69360	0.5
285.03946	2.2
286.04681	22.0
287.04904	0.7
301.07028	100.0
302.07388	4.2
302.10837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.03931	0.2
55.05505	1.2
57.03423	0.2
57.07058	0.7
65.03925	0.3
67.05204	0.2
67.05495	2.4
68.99781	1.5
69.03429	0.4
69.07058	2.2
70.06568	0.4
71.04971	0.6
79.05474	1.4
81.03382	0.2
81.07047	5.2
83.04971	0.4
83.08617	1.3
85.02884	0.4
85.06522	0.7
91.05473	2.4
93.07040	1.9
95.04971	1.0
95.08597	5.2
97.06513	0.9
97.10143	0.8
99.00811	0.3
99.08087	0.3
103.05412	0.2
105.04485	0.2
105.07018	1.1
107.04961	1.4
107.08577	1.6
108.05191	0.2
109.02853	0.3
109.06484	0.8
109.10141	3.6
111.04422	0.5
111.08085	0.3
111.11679	0.2
112.01550	0.5
113.09603	0.3
117.06993	0.5
119.04927	1.6
119.08575	0.7
121.02845	2.2
121.06490	0.5
121.10124	1.4
123.00765	1.2
123.04414	7.5
123.11697	1.5
127.00280	0.5
131.08516	0.6
133.06537	0.3
133.10117	0.7
134.03607	0.6
135.08028	0.5
135.11668	0.9
137.02283	0.3
137.05968	1.5
137.13248	0.7
139.03824	0.2
139.07541	0.2
139.11165	0.3
140.01041	0.3
141.01836	0.2
143.08533	0.3
145.06500	0.3
145.10114	0.6
147.04387	0.4
147.11606	0.2
148.05104	0.2
149.02354	0.3
149.05927	1.3
149.13213	0.8
151.07518	0.4
151.14735	0.3
152.06235	0.5
153.01804	1.4
153.05424	0.2
153.06995	0.7
157.06398	0.3
157.10104	0.5
159.07968	0.3
159.11667	0.6
161.13277	0.4
163.07541	0.9
163.11226	0.2
163.14786	0.4
165.05467	14.7
165.06885	0.8
168.00520	5.4
169.01247	0.3
169.06435	0.3
170.02005	0.2
170.07251	0.2
171.08031	0.3
173.13246	0.3
175.04008	0.2
177.00607	0.3
177.16324	0.4
179.03404	0.2
179.07008	2.2
181.06548	1.2
183.02849	0.5
183.08058	0.3
183.11833	0.2
185.05934	0.3
185.13254	0.3
186.01573	9.0
187.01897	0.3
187.07541	0.3
191.06946	0.3
191.17961	0.3
195.08061	0.4
197.05861	0.4
198.06787	0.6
199.14792	0.4
202.06223	0.2
209.13269	0.3
211.07497	0.3
212.04666	0.4
213.05493	1.1
213.09087	0.7
213.16422	0.3
226.06252	0.5
227.07021	0.3
229.04959	1.2
230.05717	0.6
240.04312	0.3
241.04910	2.2
241.08543	0.9
245.08018	1.2
247.24162	0.8
255.06435	0.6
257.04416	0.3
258.05127	1.3
258.08963	0.3
265.25143	0.8
269.04385	3.1
269.08014	0.4
273.07434	0.6
283.05865	0.5
283.20505	0.4
283.26187	1.0
285.04028	0.9
286.04697	32.8
287.04984	1.1
301.07080	100.0
301.10577	13.3
301.21579	1.3
301.24924	0.5
302.07397	4.2
302.10913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Koparin
Peak:m/z	Relative Intensity
57.56274	0.4
64.61372	0.4
68.99780	0.7
69.50000	0.8
69.50413	2.9
89.03925	0.9
98.86902	0.5
117.03374	0.6
123.00764	0.6
123.04404	0.6
124.01571	0.6
131.04947	0.7
134.03621	6.6
149.02304	0.6
152.01022	0.9
153.01814	11.2
157.06465	1.0
170.02133	1.5
171.04425	1.0
175.03870	0.8
185.05960	1.5
187.03911	1.0
199.03856	1.4
201.05447	0.9
202.06216	1.0
213.05467	5.7
229.04936	11.1
230.05736	3.8
241.04924	16.1
242.05344	0.8
245.08089	1.3
257.04382	0.8
258.05258	1.6
264.70496	0.5
269.04428	20.2
270.04672	1.0
273.07507	0.7
285.03958	2.9
286.04688	23.0
287.05023	0.7
301.07043	100.0
302.07306	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Koparin
Peak:m/z	Relative Intensity
52.17441	0.2
53.58877	0.2
55.05499	0.3
55.57728	0.2
57.03093	0.1
57.03411	0.3
65.03928	0.2
67.05501	0.3
67.22843	0.2
68.99778	0.3
69.03412	0.4
69.07058	0.3
70.06583	1.1
71.04990	0.2
71.06921	0.2
71.12884	0.4
71.41277	0.2
72.08139	0.2
79.05482	0.3
81.03418	1.0
81.07051	0.3
83.04975	0.2
85.02889	0.2
91.05458	0.5
91.54855	0.2
93.07052	0.4
95.04958	0.4
95.08605	0.3
97.06496	0.3
105.03351	0.9
105.07005	0.4
107.04930	0.3
107.08574	0.4
109.10150	0.3
111.04427	0.6
111.08061	0.3
112.07624	0.3
115.05434	0.4
115.48749	0.2
117.79683	0.1
119.04906	0.3
121.02852	0.4
121.10150	0.2
123.04421	1.5
124.27515	0.2
128.06198	0.4
129.06989	0.8
131.04918	0.2
131.08531	0.3
133.02834	0.6
133.10164	0.3
134.03621	0.6
135.04427	1.3
135.11757	0.2
136.03143	0.2
137.02327	18.6
138.02684	0.4
139.03880	0.5
139.05498	0.2
141.06961	1.0
143.08516	0.2
145.06467	0.2
147.04405	0.7
149.02319	0.6
149.05956	0.3
150.03119	3.3
151.03537	0.2
152.06155	0.2
153.01813	0.4
153.07007	0.3
157.06485	4.1
157.10046	0.2
160.05220	0.2
163.03903	0.5
164.04596	0.4
165.07059	0.3
167.03503	0.2
167.08604	0.2
169.06445	0.7
171.04436	0.8
175.03859	0.5
176.04675	0.4
177.01791	0.3
181.06448	0.4
184.05136	0.3
185.05916	2.2
187.03877	3.4
188.04648	2.9
189.05453	4.7
191.03358	0.9
192.04120	0.2
193.04941	1.3
194.02185	0.3
195.07977	0.2
197.04132	0.2
197.05962	4.4
198.06483	0.4
199.03917	1.4
200.04393	0.3
201.05461	0.5
202.06194	0.4
211.03841	0.3
211.07529	0.2
212.04715	1.2
213.05447	31.1
214.05876	1.3
215.03406	1.5
216.04103	0.8
217.04865	1.2
224.04550	0.2
225.05469	1.2
227.03371	0.2
227.06979	0.7
229.05005	0.7
230.05644	0.5
231.06424	1.4
240.04158	0.5
241.04929	20.8
242.05322	1.0
245.08095	1.9
255.06509	1.4
257.04358	0.3
258.05084	1.1
268.03632	2.2
269.04428	9.0
270.04996	0.6
273.07574	1.0
283.05945	0.5
285.03903	0.4
286.04684	14.0
287.05038	0.6
301.07040	100.0
302.07382	5.2
302.10785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Questinol
Peak:m/z	Relative Intensity
50.67505	0.2
53.03933	0.3
55.01860	1.6
55.03807	0.2
55.05492	0.3
58.73540	0.2
65.03930	0.6
67.05508	3.1
68.99776	1.5
69.07061	0.3
69.69633	0.6
69.70056	0.9
70.06593	0.2
79.05481	0.5
81.03384	0.4
81.07039	0.8
83.01346	0.6
91.05486	0.3
93.07045	0.4
95.04969	5.9
95.08592	0.6
95.21861	0.2
97.02882	0.4
97.10157	0.2
98.21383	0.3
102.97586	0.2
105.07034	0.5
105.77582	0.2
107.04925	0.3
107.08624	0.4
109.02894	0.3
109.06538	0.3
109.10175	0.2
117.07032	0.5
119.04928	0.2
119.08624	0.5
121.02872	0.5
121.06496	0.3
121.10059	0.3
123.04423	100.0
123.11666	0.5
124.04742	1.9
128.06226	0.4
129.07013	0.4
131.04964	0.5
131.08554	0.2
133.02870	0.6
133.06528	0.2
133.10098	0.2
134.03590	0.3
137.02328	0.7
137.05957	0.3
141.01801	0.9
141.06947	0.3
143.08595	0.3
145.02840	0.3
145.06482	0.4
145.10126	0.3
147.04376	0.4
149.06001	0.3
151.03886	1.0
153.01797	0.4
153.07011	0.9
154.41257	0.3
157.06453	0.5
159.04408	0.9
159.08064	0.3
161.05991	0.4
163.03912	0.7
165.01814	4.1
165.05498	1.2
171.04417	0.4
171.08044	0.4
173.05986	0.8
177.05472	2.8
179.03389	35.7
180.03720	0.8
181.06477	0.5
183.02896	4.9
184.05122	0.4
185.05971	1.6
187.03914	3.5
187.07536	0.6
191.03387	25.6
192.03735	0.8
197.05951	0.3
199.03877	0.8
199.07484	1.4
201.05447	0.4
209.06004	0.4
213.05417	1.5
227.06981	1.9
229.04974	0.6
237.05513	0.4
241.04959	2.1
255.06519	10.6
256.06851	0.6
269.04410	0.7
283.06003	75.4
283.16583	1.5
284.06339	3.7
285.03903	0.2
286.04703	0.9
300.28903	0.9
301.07077	9.0
301.10587	1.2
301.17935	1.8
301.21600	0.9
301.25168	0.2
301.29199	1.1
302.07428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Peltogynone
Peak:m/z	Relative Intensity
50.01596	0.2
51.02396	0.1
52.12226	0.1
53.00322	0.2
53.03926	0.7
55.01857	0.4
55.05501	0.3
57.03414	0.1
65.03929	0.6
67.05493	2.0
68.99780	6.8
69.03426	0.2
69.07052	0.4
69.37031	0.1
69.37331	1.5
79.05477	1.4
81.03404	5.2
81.07053	1.4
82.03751	0.2
82.04203	0.5
83.08588	0.2
85.02892	0.5
91.05469	6.7
93.03384	0.2
93.07011	0.8
94.04182	0.4
95.04962	3.6
95.08598	0.6
96.02111	0.3
97.06517	2.6
100.90270	0.2
103.05452	0.9
105.03374	1.5
105.04493	0.2
105.07014	0.9
107.04935	1.3
107.08598	0.3
108.05695	0.1
109.02869	0.6
109.06496	2.4
109.10151	0.2
111.03688	0.2
111.04425	2.7
112.74023	0.1
115.05478	0.1
117.06991	0.2
119.04966	0.4
119.06059	0.1
121.02864	1.2
121.06493	0.5
123.04412	29.9
124.04719	0.2
127.03881	0.7
129.06952	0.1
131.04922	0.2
132.05739	0.2
133.02812	0.4
133.06490	0.5
133.10110	0.2
134.03641	0.3
135.04398	1.1
135.08041	1.2
136.05200	0.6
137.02321	100.0
137.05913	4.4
138.02635	1.6
139.03917	0.2
145.06519	0.2
145.10112	0.2
147.04414	0.3
148.05180	1.0
149.02328	3.1
149.05960	3.5
151.03862	0.9
151.07521	1.5
153.01825	0.5
153.05472	0.2
153.06909	0.2
157.06500	0.4
157.10129	0.2
161.05966	0.4
163.03877	1.0
163.07524	5.7
163.11069	0.2
164.04657	0.6
165.05450	87.6
166.05768	1.2
167.03502	0.2
167.07047	0.2
171.11609	0.2
176.01018	0.3
176.04742	0.3
177.05424	0.3
179.07018	11.8
180.07394	0.1
181.06413	0.2
184.05151	0.3
185.05962	0.6
187.63428	0.1
189.05400	0.2
191.03336	1.5
191.07034	1.2
197.06004	0.2
199.07599	0.2
201.05508	0.2
212.04651	0.3
213.05434	2.4
227.07051	0.3
229.04922	0.6
241.04938	2.5
242.05511	0.2
245.08121	1.2
255.06459	0.7
257.04453	0.2
258.05154	0.2
269.04355	1.0
272.06754	1.1
273.07523	0.5
273.11240	0.3
286.04697	1.2
301.07004	24.1
301.10641	40.1
302.07309	1.1
302.10977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0702
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.46391	0.2
67.05487	0.4
68.99763	0.5
69.35280	2.2
70.06577	0.4
70.52727	0.2
74.69884	0.2
79.05456	0.2
81.03402	0.3
81.07011	0.3
93.07000	0.3
95.04921	0.3
95.08615	0.4
105.03375	0.3
107.04910	0.3
112.07571	0.2
112.41642	0.2
121.06489	0.3
121.10121	0.2
123.04417	3.9
124.01578	1.1
129.06927	0.2
131.04997	0.2
134.03621	11.0
135.04433	0.3
135.11691	0.3
137.02309	0.3
145.10153	0.2
147.04355	0.3
152.00987	0.8
153.01816	10.8
153.06943	0.2
157.06424	0.2
157.29303	0.2
161.02403	0.4
163.03957	0.2
163.11169	0.3
165.06902	0.2
167.03391	2.0
167.07048	0.2
170.02095	1.5
174.06712	0.4
181.01288	0.3
181.06467	0.4
184.05209	0.2
187.03786	0.3
198.06821	0.3
199.07460	0.4
201.05367	0.3
202.06216	1.1
212.04709	0.3
213.05434	1.0
217.08528	0.2
217.95534	0.2
226.06293	0.3
227.07045	0.3
229.04945	6.9
230.05722	3.7
240.04163	0.6
241.04924	1.6
241.08626	0.4
245.08092	0.8
255.06531	0.4
257.04367	0.6
258.05234	1.3
268.03699	0.6
269.04413	2.7
283.06070	0.5
283.09619	0.3
285.03897	6.3
286.04688	27.7
287.05002	0.8
301.07040	100.0
302.04205	0.3
302.07391	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	301.0701
Annotation	Koparin
Peak:m/z	Relative Intensity
51.02375	0.1
55.01866	0.2
55.05503	0.2
55.80180	0.1
56.16727	0.1
56.96561	0.1
57.03418	0.2
66.11903	0.1
67.05498	0.6
68.99776	0.9
69.03434	0.2
69.07060	0.3
69.36356	0.1
70.06583	0.5
70.17529	0.2
70.17922	0.2
71.05002	0.1
72.08148	0.3
73.86459	0.1
78.04710	0.1
79.05477	0.6
81.03425	0.1
81.07045	0.6
83.04971	0.2
83.08620	0.1
84.08144	0.1
85.02902	0.2
85.06543	0.2
89.03893	0.7
89.75191	0.1
91.05476	0.5
93.07053	0.4
95.01311	0.1
95.04969	0.4
95.08574	0.3
97.02885	0.2
97.06537	0.2
98.20756	0.1
103.05448	0.2
105.03364	0.1
105.07019	0.3
106.04174	0.1
107.04939	0.4
107.08601	0.4
109.02875	0.1
109.06539	0.1
109.10152	0.2
111.00795	0.2
111.04429	0.3
111.08004	0.1
112.07593	0.2
115.05426	0.4
117.03388	0.3
117.07018	0.5
119.04937	0.2
119.08566	0.3
121.02831	0.2
121.06507	0.4
121.10124	0.3
123.00781	0.8
123.04424	2.2
124.01578	1.1
128.06197	0.2
129.03369	0.1
129.06999	0.5
131.04924	0.6
131.08549	0.2
133.02826	0.1
133.06526	0.2
133.10132	0.1
134.03632	5.9
135.08018	0.1
135.11659	0.3
137.02335	0.1
137.05957	0.2
139.03850	0.2
141.06978	0.3
143.04886	0.2
143.08521	0.1
145.06438	0.5
145.10112	0.3
147.04411	0.4
147.08023	0.1
147.11732	0.1
149.02339	1.0
149.05952	0.3
149.09587	0.1
150.03058	0.1
152.01077	0.5
152.06207	0.1
153.01820	13.4
153.06998	0.2
154.02161	0.2
155.08527	0.1
157.02858	0.2
157.06471	1.0
159.11647	0.1
161.02328	0.4
161.05986	0.3
163.03918	0.2
163.11200	0.6
165.01743	0.1
165.05452	0.2
165.06960	0.2
168.05553	0.1
169.06482	0.2
170.02106	2.1
171.04401	0.6
173.05994	0.2
173.09595	0.3
174.06749	0.2
175.03900	0.6
177.05444	0.1
179.07034	0.2
179.78938	0.1
181.06425	0.3
181.12190	0.1
184.05157	0.2
185.05954	1.0
187.03856	0.6
189.05347	0.2
189.09163	0.1
191.07039	0.3
191.10649	0.2
197.05969	0.6
198.06725	0.1
199.03928	1.1
200.04536	0.1
201.05499	0.7
202.06244	1.1
203.03386	0.1
211.07425	0.1
212.04614	0.5
213.05458	4.9
214.05840	0.2
215.03421	0.1
216.04265	0.1
217.05022	0.2
223.04044	0.1
226.06239	0.1
227.03452	0.2
227.07040	0.1
227.12761	0.2
229.04948	10.1
230.05721	4.2
231.06255	0.2
240.04137	0.3
241.04938	16.2
242.05513	0.5
243.02950	0.1
244.03748	0.2
245.08066	1.2
255.06467	0.1
255.12289	0.1
257.04514	0.4
258.05197	1.4
268.03650	0.4
269.04434	20.3
270.04825	0.8
272.07794	0.1
273.07571	0.6
283.06052	0.2
283.15698	0.1
285.03909	2.4
286.04706	22.3
287.05060	0.7
301.07050	100.0
302.07401	3.6
302.10953	0.2
315.88260	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	301.0699
Annotation	Diosmetin
Peak:m/z	Relative Intensity
51.02165	0.0
55.01865	0.1
55.05503	0.0
62.84644	0.0
67.01835	0.1
67.05499	0.1
68.99778	0.3
69.03427	0.1
69.07059	0.0
70.06565	0.1
70.76931	0.1
70.77339	0.1
71.04953	0.0
72.08147	0.2
78.04720	0.1
79.05462	0.1
81.03399	0.1
81.07027	0.1
83.04975	0.0
84.08118	0.1
85.02883	0.2
86.09695	0.1
89.03925	0.1
89.42538	0.0
91.05465	0.1
95.04947	0.1
95.08594	0.0
97.02865	0.2
97.06492	0.1
99.04465	0.0
103.05460	0.0
103.87373	0.0
105.03386	0.3
105.07034	0.1
107.04943	0.2
107.08566	0.0
109.02865	0.1
109.06496	0.1
111.00776	0.0
111.04394	0.1
117.03343	0.1
119.04878	0.0
121.02848	0.0
121.06488	0.0
123.03527	0.1
123.04411	1.2
124.01556	1.1
127.03937	0.1
128.06134	0.0
129.06987	0.1
131.04868	0.1
134.03613	12.0
135.04486	0.4
136.07474	0.1
137.02325	0.1
138.08894	0.0
140.07010	0.1
145.06464	0.1
147.04454	0.2
149.02345	0.1
149.05968	0.1
152.01027	1.0
153.01808	12.1
154.02129	0.2
157.06416	0.1
160.05185	0.1
161.02312	0.5
161.05952	0.1
163.03868	0.4
164.07060	0.1
165.01958	0.0
165.05511	0.1
165.09204	0.1
167.03381	3.4
168.03705	0.1
168.05542	0.0
170.02097	2.2
171.08006	0.1
173.05940	0.1
174.03078	0.1
174.06725	0.3
175.07512	0.0
177.05429	0.1
181.06404	0.1
182.08156	0.2
184.05193	0.2
185.05913	0.1
187.03877	0.4
188.04753	0.1
189.05394	0.1
189.09088	0.1
197.05815	0.1
199.03822	0.1
199.07559	0.1
201.05446	0.4
202.06206	1.2
203.03439	0.1
203.06931	0.2
206.08112	0.1
211.07379	0.1
212.04677	0.4
213.05420	0.6
214.05948	0.1
215.03316	0.1
216.04343	0.2
217.04974	0.1
217.08536	0.5
219.06381	0.1
227.06976	0.3
229.04929	7.3
230.05702	3.7
231.03221	0.0
231.06148	0.2
240.04147	0.5
241.04897	0.5
243.06587	0.0
244.03665	0.1
245.08075	0.7
247.81285	0.1
255.06490	0.6
256.07071	0.1
257.04431	0.3
258.05212	1.4
259.05780	0.1
268.03632	0.6
269.04401	1.5
269.07028	0.0
270.04645	0.1
271.05975	0.1
273.07623	0.3
283.05933	0.8
284.06711	0.1
285.03903	7.2
286.04672	29.1
287.05032	1.3
301.07016	100.0
302.07361	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	300.1803
Annotation	Lycopsamine
Peak:m/z	Relative Intensity
53.03938	0.6
55.01853	2.2
55.05486	1.7
56.96561	2.8
57.03406	1.4
57.07044	1.9
58.06577	1.9
61.02904	2.5
63.77770	0.6
67.05503	5.0
68.05003	0.9
69.03407	2.1
69.95026	3.5
70.06590	19.0
71.04990	3.3
71.06883	0.8
72.08141	7.2
73.02893	1.5
73.08446	0.7
79.05463	2.4
81.03389	2.8
81.07054	4.6
82.06554	1.7
83.04974	0.5
84.02191	0.6
84.08138	4.1
85.02898	6.7
85.06541	7.4
86.06072	0.6
87.04409	1.1
88.03999	0.7
91.05448	1.0
93.07020	1.6
94.06555	1.1
95.04957	8.6
96.08100	2.7
97.02859	2.4
97.06522	1.4
98.06033	1.4
98.09687	8.8
98.20827	1.2
98.97602	3.2
99.04434	0.9
99.10011	1.2
100.07595	1.6
101.02357	0.7
102.73183	0.6
103.07570	3.2
105.07008	1.0
107.04414	0.6
107.04958	7.4
109.08907	0.8
110.07117	1.0
110.09656	1.0
111.04413	0.7
112.07610	3.0
113.06001	13.2
113.07883	1.1
114.09124	1.0
116.98586	1.5
118.50499	0.7
119.04891	1.8
121.06471	0.7
121.08561	3.4
123.04417	1.0
124.03939	2.9
124.11224	21.3
124.12134	1.3
125.11581	1.1
127.03844	1.4
128.98572	0.7
133.06435	0.7
134.05963	0.7
136.06143	1.8
137.05931	2.5
138.05493	5.8
138.09097	0.9
140.07056	6.1
141.05463	25.5
141.07288	5.1
142.12274	3.6
143.04921	0.8
145.06482	1.0
146.99637	0.9
147.04402	7.4
150.09006	0.7
150.12772	0.7
151.07474	0.9
161.05888	0.7
167.07021	0.9
168.05142	3.1
175.07468	1.7
177.00641	0.9
177.04224	0.8
179.06961	0.7
182.11784	4.0
189.95602	0.6
193.03160	2.8
194.11769	6.5
210.11197	1.6
210.13034	0.6
212.12701	1.0
218.11696	2.2
218.57590	0.8
219.01668	0.8
227.13823	1.1
228.12300	19.8
228.14255	1.2
235.14514	0.8
237.02649	1.3
237.09004	1.6
240.12282	10.7
240.14366	0.5
254.17534	2.2
258.13327	31.2
264.15860	1.9
269.11658	1.8
273.12738	0.6
282.16666	17.5
300.10864	5.0
300.17963	100.0
301.18222	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	300.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	0.8
55.01671	0.6
55.01926	1.7
55.05306	0.4
55.05557	1.2
56.05061	0.5
56.12812	0.3
56.96592	0.5
57.03485	1.1
58.06646	1.5
59.05022	0.4
60.04573	0.4
61.02925	2.3
65.03972	0.4
65.51348	0.3
67.05542	1.5
69.03424	5.5
69.07116	1.0
70.06588	6.4
71.04987	2.1
71.62597	0.6
72.08151	4.3
73.02961	0.8
79.05481	1.6
80.05040	0.4
81.03412	3.6
81.07053	3.0
82.06609	1.0
82.07384	0.4
83.05013	0.9
84.04529	1.1
84.08134	2.8
85.02897	12.7
86.05605	0.3
86.06089	0.8
86.09723	0.8
87.04495	1.6
91.03967	0.8
91.05465	2.3
93.07031	3.4
94.06557	2.8
94.07037	0.3
95.04961	3.9
95.05441	0.3
95.08601	0.4
96.04499	0.7
96.08160	1.4
97.02877	4.4
97.06548	1.3
98.06059	0.8
98.09694	3.8
99.04466	1.0
99.10065	0.5
99.20123	0.3
100.07642	0.9
103.05493	2.0
105.07024	0.7
107.04953	1.1
108.08125	0.8
108.25940	0.3
109.02853	1.7
109.06499	0.5
109.08920	0.4
109.10198	0.4
110.06059	2.0
110.07217	0.4
110.09692	0.8
111.04400	0.7
112.07594	1.3
113.03439	0.4
113.05997	2.9
113.07954	0.4
114.09148	4.1
115.03963	0.4
115.09493	1.0
116.07101	0.5
116.10748	0.7
116.98651	0.6
117.07036	0.5
119.04931	1.0
120.08105	3.2
121.06494	75.1
122.06041	0.5
122.06795	1.7
124.03939	0.5
124.07564	0.6
124.11221	11.5
125.05953	1.0
125.11537	0.8
127.03907	2.9
129.10188	0.4
132.10205	0.8
133.06451	0.7
134.09628	0.4
134.99609	0.5
135.04517	0.3
136.06139	1.1
137.05890	0.6
138.05490	100.0
138.09120	48.4
138.10025	0.9
139.03831	0.6
139.05833	3.1
139.09453	1.8
140.07062	2.5
140.10600	0.4
141.05467	4.9
141.07297	0.4
142.12253	1.3
144.06544	0.4
145.04892	2.0
147.04367	2.9
148.04776	0.4
148.07495	0.5
150.09061	0.5
150.12984	0.3
151.07484	0.7
152.07027	0.5
152.10667	0.6
154.08595	0.9
154.14528	0.4
162.08949	0.4
163.03894	0.4
163.07530	0.4
164.10666	0.5
167.06940	1.3
177.05484	0.6
180.10040	0.6
181.10617	0.4
194.11801	2.5
210.10970	0.4
218.11497	0.5
223.14313	0.7
224.14471	0.8
228.12254	1.9
235.14258	0.3
236.18350	0.5
240.12283	5.6
254.17148	1.4
258.13300	3.2
282.09265	0.6
282.12955	1.4
282.16547	5.5
282.18845	1.7
283.12421	0.5
283.17007	0.8
283.19827	0.8
286.04199	0.9
300.05634	0.7
300.10281	3.7
300.14084	5.8
300.17542	38.2
301.07043	1.8
301.13571	1.3
301.17593	0.7
301.21304	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	300.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05504	14.0
56.05034	1.8
56.96563	4.0
58.06587	3.7
60.04520	5.2
60.05633	2.4
67.05511	1.6
68.05009	2.8
69.03420	3.4
69.07059	4.0
69.85174	11.0
70.06585	61.4
71.04964	2.2
71.06894	1.7
72.08149	82.7
73.02873	1.7
73.06497	1.8
73.08485	10.3
74.06079	1.7
79.05481	5.2
81.03414	1.9
81.07068	2.9
84.04473	11.6
84.08152	9.0
85.02896	4.0
86.06068	2.6
86.09701	77.2
87.07953	2.4
87.09991	2.1
89.06020	8.8
89.10769	9.5
91.05482	18.0
93.07021	3.3
94.06529	2.1
95.04952	4.2
96.04483	2.0
97.02888	3.6
97.06531	5.0
97.07652	2.4
98.02419	2.7
98.06045	17.8
98.09676	3.6
98.20756	2.2
99.06355	1.8
102.05492	2.0
103.05450	10.5
103.12334	3.1
105.07005	7.2
106.06457	1.6
107.04942	34.3
108.08129	2.6
109.02850	3.1
110.02379	5.8
110.06044	2.1
110.07142	1.8
112.41739	1.6
114.10289	10.0
115.05421	2.3
115.08709	10.8
116.07078	100.0
116.09012	3.4
116.98634	1.6
119.04932	23.7
120.04453	3.5
120.08119	5.8
121.02821	1.8
121.06488	9.2
123.04423	7.5
124.07582	3.4
124.11150	1.7
126.05502	6.1
126.12785	2.8
127.08733	1.5
128.07094	2.4
128.11827	1.9
129.06999	3.7
129.10258	2.0
130.04999	2.0
131.04900	20.9
131.12924	9.8
132.08095	3.4
133.02821	4.3
133.06503	12.5
133.08849	19.7
134.06000	3.8
135.04396	5.5
137.05965	6.1
138.05418	4.6
143.04965	1.9
144.08049	1.9
145.02855	2.4
145.06494	5.5
147.04395	99.2
147.08014	2.1
148.04767	5.5
148.07584	4.9
149.05966	12.2
149.08363	11.1
150.05481	2.4
150.09125	3.3
151.03844	3.4
151.07555	2.3
151.08702	2.3
152.07092	8.0
153.05484	2.3
157.06436	3.2
157.07645	2.9
157.10883	7.5
157.13348	29.4
159.04404	6.1
160.07538	2.0
161.02330	3.7
161.05963	11.9
162.09125	5.8
163.03873	6.0
163.07500	2.0
165.05486	1.9
169.09692	2.9
170.05943	2.2
171.12357	2.1
172.07545	2.2
173.05956	4.0
174.09076	3.1
175.03879	10.8
175.07527	6.4
176.06979	2.9
177.05444	20.1
177.06851	2.2
178.08604	3.4
179.03429	2.1
179.07033	7.3
180.03922	2.0
185.12871	12.2
187.07523	1.7
191.07056	3.8
192.10214	20.1
193.04956	6.9
195.06526	6.3
202.08658	4.2
202.10541	1.7
205.04982	7.3
206.08119	6.3
208.09622	2.0
211.04230	2.0
211.11909	1.8
215.07007	1.9
218.08212	3.1
218.11673	11.3
219.06445	21.3
222.07660	3.1
235.14331	5.1
246.07410	1.9
247.14418	1.6
249.15964	1.8
255.01669	1.8
256.08075	3.6
259.09631	3.3
262.12091	1.7
264.08609	2.9
265.07092	7.1
269.17496	12.4
269.67728	4.6
277.16605	2.8
282.09692	29.3
282.15286	2.3
283.17639	3.7
289.19183	2.4
291.17047	5.2
291.67194	3.0
299.65997	2.2
300.10742	16.5
300.15732	17.0
300.21713	2.5
300.66696	1.7
301.07004	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	299.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72841	0.5
55.01865	2.4
55.05507	1.6
56.05037	0.7
58.06591	1.4
67.05490	2.9
69.03419	1.2
69.07047	0.7
70.06586	4.9
70.91334	0.9
70.91675	0.9
71.04964	1.2
72.08138	2.4
76.91576	0.6
79.05491	3.4
81.03400	0.7
81.07053	6.1
82.06566	1.0
84.04482	1.2
84.08137	2.3
85.02905	2.0
86.06062	2.2
87.04461	0.9
89.10777	0.7
91.05494	1.4
93.07027	2.8
94.06554	3.4
95.04962	8.3
95.08584	1.0
96.08140	2.8
97.06506	2.1
98.06059	1.3
98.09687	20.0
98.97577	0.6
100.07603	1.0
105.07015	0.7
107.08571	0.8
108.08121	1.8
110.09676	2.5
111.08089	0.6
112.07597	24.4
113.06001	1.6
114.09155	4.1
116.10661	1.0
117.06995	0.7
119.08642	0.9
122.09627	0.5
123.04413	1.2
123.08003	0.6
124.03942	1.1
124.11220	31.6
126.09280	0.5
129.07016	0.7
132.10187	2.3
134.09607	0.6
135.08031	1.7
136.11206	0.8
140.07051	38.2
141.05463	1.3
142.12254	1.3
147.04414	1.3
150.12790	1.1
152.10672	4.2
154.08630	10.8
164.10670	1.1
166.12238	0.7
168.13824	0.5
170.11702	0.8
178.08592	0.6
182.11769	1.5
184.13402	0.6
194.11763	4.3
195.14932	2.7
196.09711	0.6
196.13191	0.7
209.12839	1.2
213.15910	1.3
222.11420	0.6
227.13881	3.1
238.14508	0.7
239.13860	7.2
251.17613	2.3
254.17468	1.6
256.15509	1.2
257.15042	2.1
258.13223	0.7
263.17526	6.7
281.18579	46.4
282.16992	2.3
299.19632	100.0
300.17694	4.4
319.81674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05052	0.4
55.01857	1.1
56.96541	1.2
58.06579	0.9
65.03936	0.5
67.05483	1.6
69.03424	0.8
69.07059	0.6
69.66425	1.1
69.66832	2.4
70.06587	10.6
71.05008	1.0
72.08131	1.2
73.02881	0.6
79.05471	1.1
81.07038	1.5
82.06570	1.0
84.08125	1.9
85.02874	1.9
86.06036	2.2
91.05470	0.6
93.07033	0.8
94.06548	2.4
95.04961	5.7
96.08118	4.6
97.06534	3.6
98.06026	0.9
98.09679	6.9
98.97544	1.0
100.07626	1.3
108.08119	0.6
109.06493	0.5
110.09663	3.8
112.07600	17.8
113.05974	1.2
114.05493	0.5
114.09159	9.6
120.08087	1.3
121.06453	0.6
122.09659	0.9
124.07573	0.7
124.10363	0.9
124.11223	12.8
125.05957	2.9
132.10165	0.6
136.06161	1.9
137.06519	1.6
138.05518	2.3
138.09145	0.8
140.07054	45.2
141.05473	0.9
142.08589	0.7
150.09119	1.9
150.12770	0.5
150.89661	0.5
151.07652	0.5
162.92659	0.5
164.10741	0.8
166.08601	1.6
178.08636	0.9
179.14731	0.5
182.11777	1.4
184.09679	1.4
194.11703	2.2
196.09706	1.9
200.35963	0.5
204.13838	0.8
209.12848	4.8
212.12762	0.6
221.12953	0.6
222.11238	0.5
222.14793	0.6
222.63083	0.4
227.13879	13.6
231.60339	0.6
233.16473	1.5
234.14915	0.8
239.13919	4.7
240.15865	1.0
245.16576	1.0
251.17513	4.1
257.14957	9.8
258.13162	0.6
263.17505	7.2
281.18582	24.9
282.16833	0.7
299.19626	100.0
300.17770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2578
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.01868	2.4
55.05500	27.5
57.03419	3.9
57.07069	15.5
58.06589	5.2
65.03928	2.6
67.05167	3.5
67.05498	49.4
69.03402	6.4
69.07058	49.9
70.06590	3.7
71.04992	13.3
71.08627	5.5
72.08144	4.7
73.30389	2.2
79.05473	26.1
81.03397	5.1
81.07047	100.0
82.90558	1.9
83.04958	4.1
83.08601	24.1
83.40742	1.9
85.06528	24.4
85.10130	2.4
91.05480	22.7
93.07032	41.9
95.04971	5.3
95.08593	97.8
97.02872	3.6
97.06522	7.8
97.10150	15.9
99.04449	3.3
99.08080	9.0
101.06001	4.1
103.05384	2.2
105.07018	29.5
107.04954	12.6
107.08581	36.2
109.02884	2.7
109.09444	4.0
109.10147	54.6
111.08080	7.1
111.11710	7.4
113.09615	6.8
119.04934	2.6
119.08543	19.3
121.06538	2.4
121.10130	33.7
123.04431	16.4
123.08051	4.0
123.11699	24.8
125.09623	5.9
125.13331	3.1
127.03900	3.5
131.08524	2.5
133.10112	19.0
135.08023	3.0
135.11690	32.0
137.02312	26.9
137.05933	3.5
137.13211	14.0
138.05569	2.4
139.11198	5.0
139.14760	2.7
143.04910	2.6
143.08594	2.1
147.04425	7.8
147.11674	14.9
149.06041	2.9
149.09566	2.0
149.13229	29.9
151.07594	2.1
151.11230	3.2
151.14822	4.6
153.07033	2.3
153.12755	2.7
161.13272	11.9
163.03918	2.2
163.07542	5.2
163.14801	25.8
165.12715	2.2
167.14323	2.9
175.14790	9.1
177.09143	8.9
177.16386	4.5
178.08667	3.0
179.14236	2.2
181.15878	4.3
185.05017	2.0
189.16315	15.5
197.06041	2.5
199.07594	2.2
199.17085	2.0
211.16826	2.6
239.07022	2.8
245.22647	28.5
253.08867	2.5
263.23688	27.2
271.05997	6.6
271.09424	2.3
281.08014	8.4
281.24747	8.1
284.06638	2.3
285.07574	3.6
299.05551	13.5
299.09119	31.9
299.12732	14.4
299.25974	17.0
300.09656	5.9
300.15732	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	299.091
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
50.35370	0.2
57.03408	0.2
60.49877	0.2
64.55952	0.2
65.21730	0.1
67.05482	0.3
69.07048	0.2
69.36089	1.3
69.36507	0.5
69.93074	0.2
81.07018	0.3
91.05445	0.3
93.07016	0.2
95.04942	0.2
95.08591	0.2
105.07000	0.8
107.04944	0.5
119.04912	0.7
119.08546	0.3
121.06496	0.5
123.00766	0.9
123.04388	0.4
124.01527	0.2
129.06998	0.3
132.05681	0.7
133.06528	1.0
134.07246	0.3
135.04391	0.4
137.02309	0.9
151.00229	0.9
152.01015	1.9
153.01833	0.5
153.06905	0.3
157.06458	0.7
161.05972	3.4
168.05655	0.9
169.01280	0.7
169.06468	0.4
170.02107	1.6
172.08775	0.2
177.05400	0.4
177.09052	0.3
177.24597	0.2
178.02562	0.4
182.07236	0.8
183.08018	1.0
185.05951	0.9
195.04343	0.3
196.05147	0.6
197.05963	0.5
199.07388	0.2
200.08281	0.3
210.06723	0.6
211.07492	1.6
213.05469	1.7
223.03732	0.2
224.04660	0.5
225.05473	0.4
227.07008	1.0
228.07709	0.5
236.04680	0.2
238.06094	0.4
239.07005	3.4
240.07599	0.3
241.04918	3.3
243.10071	1.5
244.02480	0.2
252.04193	0.7
253.04932	1.7
255.06464	1.6
256.07278	6.3
257.07553	0.3
267.06638	0.3
269.04459	2.0
283.05905	0.4
284.06754	66.0
285.07132	2.1
299.09100	100.0
300.09427	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	299.1274
Annotation	Combretastatin D4
Peak:m/z	Relative Intensity
53.03934	0.3
55.01863	1.0
55.05493	0.5
57.07077	0.3
65.03947	0.3
67.05502	3.7
68.99791	2.1
69.03378	0.2
69.07053	0.8
69.39382	0.7
69.39794	1.5
77.03939	0.3
79.05045	0.4
79.05486	4.9
81.03395	0.3
81.07058	3.0
83.04937	0.2
83.08594	0.4
85.02889	0.6
85.06528	1.0
91.05473	6.5
93.07033	4.2
95.04964	6.0
95.08596	1.6
97.10201	0.2
98.21594	0.3
98.74594	0.2
103.05469	5.3
105.03401	0.3
105.07021	17.2
107.04956	2.4
107.08578	1.2
109.06499	0.8
109.07274	0.2
109.10150	0.8
115.05417	1.3
115.65051	0.2
116.06203	0.3
117.07013	4.2
119.04927	0.5
119.08584	3.0
120.05687	0.4
121.06496	3.5
121.10130	0.7
123.04418	74.8
123.11646	0.3
124.04749	0.7
128.06230	0.7
129.07016	2.1
131.04929	1.0
131.08582	1.1
132.05708	1.0
133.06496	1.3
135.04420	0.4
135.08040	5.2
136.05225	0.4
137.02307	0.6
137.05989	1.1
137.09639	0.5
141.06992	0.6
144.05690	1.1
145.06424	1.2
146.07231	1.2
147.04402	2.3
147.08035	0.8
147.11684	0.4
148.05223	0.4
149.05971	17.5
149.09596	2.7
151.07550	0.8
158.07304	0.4
159.08023	0.5
160.05174	0.6
161.05971	2.2
161.09618	4.9
162.06743	6.1
163.07530	36.5
164.07971	0.3
165.09094	1.6
173.05992	0.8
174.06761	4.1
175.07571	0.4
177.09091	73.1
178.09395	0.9
179.03419	0.3
181.08566	1.9
188.04480	0.2
189.09102	9.6
197.09453	0.3
239.10664	0.2
253.12315	0.3
267.16074	0.2
281.11731	1.2
284.10370	1.1
285.07410	0.3
299.12753	100.0
300.09964	0.3
300.13156	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	299.0912
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
55.05480	0.5
56.96553	0.2
57.07053	0.2
58.06575	0.4
67.05464	1.0
69.07027	0.7
71.62892	0.3
79.05434	0.5
81.07068	1.0
83.04972	0.3
83.08582	0.3
85.06513	0.3
91.05460	0.6
93.06998	0.6
95.04923	0.3
95.08571	0.9
98.97553	0.2
99.58250	0.2
101.05968	0.4
103.39749	0.2
105.07001	0.9
107.04923	0.4
107.08554	0.6
109.06493	0.4
109.10146	0.5
111.04417	0.3
117.03356	0.6
119.08536	0.4
121.06505	1.3
121.10101	0.4
123.04395	1.2
123.11716	0.3
124.01549	0.4
132.05701	14.4
133.06412	0.9
133.10095	0.4
135.11658	0.2
137.05937	0.3
143.08563	0.3
147.04410	2.5
149.05908	0.4
152.01019	0.7
153.01712	0.3
163.03860	0.5
163.07516	0.7
163.14661	0.2
168.71248	0.2
170.02089	1.7
177.09108	0.5
181.06413	0.3
213.05449	0.7
225.05606	0.3
227.07021	0.8
237.02831	0.2
237.05266	0.3
238.06268	2.2
239.06790	0.2
241.04861	2.1
242.05577	0.3
243.10196	0.3
253.04922	0.3
254.05559	0.2
255.06503	1.5
256.07288	2.0
266.05566	0.4
267.06253	0.3
269.04434	8.1
270.05048	0.3
283.06006	11.7
284.06772	35.8
285.07043	1.4
286.04642	0.3
299.09122	100.0
300.09476	4.5
318.51019	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	299.0913
Annotation	Puerol A
Peak:m/z	Relative Intensity
53.03935	0.5
55.01861	1.0
55.05493	0.8
57.03441	0.3
57.07071	0.3
65.03912	0.3
67.05498	1.4
68.99763	1.4
69.03412	0.7
69.07073	1.4
71.01353	0.3
71.04993	0.3
72.08151	0.3
77.03872	0.2
79.05482	1.6
80.06097	0.2
81.03420	0.5
81.07052	2.5
83.04957	0.4
83.08607	0.7
85.02876	0.3
85.06542	0.9
86.61096	0.2
91.05458	1.6
93.07045	1.1
95.04955	2.3
95.08591	2.1
97.02876	0.3
97.06532	0.7
97.10172	0.5
98.21596	0.4
99.08041	0.3
103.05453	0.4
105.03363	0.6
105.04476	0.4
105.07008	1.3
107.04944	100.0
107.08588	0.9
108.05292	1.4
109.02857	0.5
109.06516	0.7
109.10145	1.7
111.04463	0.4
115.05450	1.1
117.06992	0.7
119.04945	1.8
119.08578	0.8
119.19719	0.2
121.02883	0.9
121.06507	0.7
121.10142	0.7
123.04410	4.1
123.11697	0.7
125.09640	0.3
127.03912	0.3
131.04929	3.0
131.08539	0.3
133.02895	0.2
133.06471	0.5
133.10089	0.6
135.04422	1.2
135.11687	0.6
137.02328	3.9
137.03291	0.4
137.05997	0.7
137.13217	0.3
138.05542	0.3
141.06900	0.4
144.05711	1.5
145.06506	2.4
145.10175	0.2
145.28436	0.2
147.04398	4.8
147.05620	0.3
147.11639	0.3
149.05983	1.0
149.09660	0.3
149.13202	0.2
151.11157	0.2
153.07085	0.3
154.07730	0.3
155.08565	0.5
157.06483	0.5
159.04495	0.6
160.05222	0.7
161.05969	3.3
163.03900	1.3
163.07562	0.9
165.05530	0.7
165.07013	1.2
167.03427	0.5
167.08551	0.5
168.05630	0.3
169.06409	0.5
171.04350	1.2
171.11543	0.3
173.13356	0.3
175.03883	0.5
177.05489	1.3
177.09081	1.0
178.07741	0.5
179.03412	0.6
179.08528	1.4
181.06494	0.6
182.07214	0.7
183.08032	3.1
185.09604	0.5
187.03894	3.0
187.05487	0.2
187.07570	0.4
189.05450	1.0
189.06990	0.6
191.08620	0.3
193.04950	3.7
193.06465	0.2
194.07361	0.3
197.00708	0.3
197.06047	0.7
197.09590	0.9
200.04709	0.6
205.04964	2.2
207.08009	3.0
210.06720	1.3
211.07542	1.4
212.08180	0.2
215.07063	0.6
218.07164	0.4
221.05957	0.5
225.09047	2.9
228.04195	2.5
234.06830	0.4
235.07498	2.3
236.08301	0.8
238.06296	0.7
239.07008	13.3
240.07677	0.7
243.06573	2.8
245.22461	0.3
252.07922	0.3
253.08578	14.6
254.08992	0.5
255.10168	1.0
256.07251	0.3
257.08060	1.1
263.23926	0.3
267.02963	1.2
267.06424	0.3
271.05994	3.8
271.09427	0.4
281.08066	10.8
281.18585	0.3
281.24933	0.4
282.08484	0.6
284.03366	0.3
297.04022	1.1
299.05551	8.6
299.09174	6.6
299.12863	2.0
299.19946	0.8
299.23206	0.3
300.05960	0.7
300.09583	0.4
315.04922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0548
Annotation	Isotrifoliol
Peak:m/z	Relative Intensity
55.01844	0.2
55.05469	0.5
57.07041	0.3
58.06567	0.3
59.53824	0.1
65.03905	0.3
67.05450	0.7
69.03400	0.3
69.07053	1.1
70.29140	0.6
71.04940	0.3
71.08617	0.1
72.08116	0.3
79.05434	0.5
79.98480	0.1
81.03353	0.2
81.07066	0.9
83.04924	0.2
83.08586	0.3
85.06488	0.2
85.29323	0.2
91.05460	0.7
93.07054	0.7
95.08589	1.1
97.02860	0.2
97.06480	0.3
97.10118	0.2
103.01785	0.2
103.05424	0.2
105.06979	0.5
107.04919	0.2
107.08562	0.4
109.02838	0.3
109.10151	0.9
111.04391	0.3
115.05414	0.3
119.08528	0.4
120.07097	0.1
120.07949	0.2
121.02812	0.6
121.10075	0.5
123.04398	0.6
123.08041	0.2
123.11678	0.2
128.06151	0.1
129.06975	0.2
131.00317	0.2
131.01271	2.1
131.04884	0.2
131.08501	0.2
133.10114	0.2
135.11685	0.2
137.02301	1.6
137.05928	0.3
137.09666	0.2
139.05353	0.6
141.06963	0.2
144.05641	0.6
145.06422	0.2
145.10136	0.4
147.04356	0.6
147.11667	0.3
149.02290	0.7
153.06929	0.2
155.04860	0.6
155.08444	0.2
159.04485	0.1
159.07964	0.2
163.03822	0.5
163.07503	0.4
167.04877	0.5
171.04378	0.3
172.05220	0.7
175.07426	0.2
177.09087	0.6
179.03448	0.3
183.04370	0.5
184.05188	0.5
186.03075	0.8
187.03862	0.7
187.07513	2.6
189.09102	0.2
195.04396	2.1
197.05986	0.2
199.03889	0.6
199.39156	0.2
200.04666	2.8
201.05391	0.2
211.03894	2.1
211.07471	0.2
212.04651	1.0
223.03810	0.2
225.05284	0.2
227.03412	1.4
227.06955	0.3
228.04155	18.2
229.04526	0.5
239.03375	11.9
240.03920	0.6
243.04063	0.2
243.06528	4.3
253.04855	0.3
255.02841	4.7
256.03653	4.0
257.04257	0.2
267.02859	63.6
268.03415	2.6
271.03006	0.3
271.05978	6.1
272.06219	0.2
281.24939	0.2
284.03134	17.8
285.03506	0.6
299.05484	100.0
300.05817	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	299.0549
Annotation	Sophorophenolone
Peak:m/z	Relative Intensity
51.02370	0.1
53.00279	0.2
53.03933	0.3
55.01868	6.5
55.05504	0.2
59.04999	0.9
65.03924	0.3
67.01864	0.2
67.92854	0.1
68.99780	3.0
69.03423	0.6
69.77895	0.3
69.78291	0.8
79.01847	1.5
80.34102	0.1
81.03411	2.4
89.03909	0.4
92.99757	1.2
95.04963	0.1
95.08610	0.2
97.02901	1.1
97.10162	0.1
98.21481	0.2
99.00819	1.6
103.09724	0.1
105.07003	0.2
107.04945	0.9
109.02855	0.7
111.00716	0.2
117.01842	0.2
117.03394	0.3
121.02873	0.2
123.00769	0.3
123.04395	0.5
127.03944	0.2
128.06209	0.1
129.06972	0.1
135.04419	0.9
137.02333	5.0
137.03395	0.3
138.64732	0.1
141.01814	13.4
141.06943	0.6
147.00732	0.2
147.04431	0.2
155.03395	0.8
157.06558	0.2
161.02332	0.2
163.03935	0.3
163.07487	0.2
165.01822	35.6
166.02148	0.3
169.06477	0.6
171.04430	0.3
173.06105	0.2
175.03920	0.3
177.05449	0.2
179.03378	0.1
183.02873	49.3
184.03247	0.5
187.07504	0.2
197.05988	1.9
199.03883	1.7
199.65517	0.1
200.04607	0.1
201.05420	0.4
213.05499	0.3
215.07100	0.1
225.05402	1.4
227.03406	1.2
229.04886	1.0
243.06558	0.5
245.04410	0.3
253.04941	2.6
253.08870	0.1
257.04453	0.1
271.06018	0.6
281.04428	20.0
282.04520	0.4
299.05478	100.0
300.05786	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	298.2739
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
55.05268	0.7
55.05508	10.3
56.05031	6.1
56.96545	1.0
57.03424	0.7
57.07068	3.4
58.02942	1.7
58.06591	0.6
60.04520	3.4
65.03931	0.7
67.05501	16.8
67.64330	0.5
68.05008	2.1
69.03443	0.5
69.06716	0.8
69.07063	11.9
69.58205	0.4
70.04060	0.5
70.08102	1.7
70.08519	0.9
71.08620	1.7
71.53735	0.5
72.04500	1.3
79.05487	10.0
80.05027	2.4
80.75651	0.5
81.03414	1.0
81.05778	0.6
81.07051	14.5
81.68501	0.5
82.06566	7.2
82.07338	0.6
83.04970	1.5
83.08607	6.5
84.08099	0.6
85.10161	0.5
86.06035	1.8
91.05474	7.3
93.07031	8.0
94.06558	3.0
95.04943	2.2
95.07333	0.7
95.08036	0.9
95.08598	11.2
96.08109	1.7
97.06510	1.0
97.10177	3.1
98.06040	1.6
98.97571	1.3
100.07645	2.4
105.07037	3.4
107.08570	4.4
108.08109	1.4
109.10145	4.3
110.17851	0.5
112.07575	0.8
116.98605	1.4
117.06931	0.5
119.08591	3.5
121.10109	2.6
122.09665	0.9
123.04426	1.5
123.11684	1.3
133.10123	1.8
134.99620	2.2
135.11661	1.6
136.06178	1.6
136.11261	0.5
137.20995	0.5
140.10677	0.8
147.11664	0.9
149.05983	0.6
150.88083	0.5
153.00719	0.5
164.86429	0.5
177.09120	0.5
179.86032	0.5
191.18030	0.5
245.22665	0.9
250.25307	6.4
260.23792	0.7
262.25287	3.7
263.23706	0.8
274.97461	2.6
280.26334	100.0
281.26514	1.4
292.98770	2.6
293.01404	0.5
298.10449	1.6
298.14182	1.0
298.27219	2.0
298.30576	0.7
299.05466	1.5
299.08987	0.7
299.12650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01145	4.5
69.03410	0.3
69.43384	0.4
69.43785	1.6
72.08157	0.5
75.02708	2.3
97.02885	1.2
103.02166	0.6
119.03529	0.6
136.06177	100.0
137.04547	0.5
137.06638	1.1
145.03171	1.3
147.04417	0.3
163.04260	1.4
190.87285	0.2
206.43929	0.2
206.94897	0.2
298.09686	4.8
298.18469	0.3
299.09781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2738
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03942	1.5
55.05504	9.3
56.05027	5.6
57.07067	3.7
58.02939	2.4
58.06586	3.4
58.44907	0.6
60.04516	6.1
65.03905	1.3
67.05496	20.3
68.05007	2.6
68.05807	0.7
69.06728	0.8
69.07064	12.6
71.08606	1.9
71.61951	0.8
72.04521	1.2
79.05492	11.3
79.26067	0.7
80.05003	2.6
80.63225	0.7
81.03404	0.9
81.06575	1.0
81.07051	17.5
82.06568	7.6
83.04990	1.3
83.08613	7.3
84.08134	0.9
86.06052	2.0
91.05456	6.3
93.07033	9.3
94.06542	2.5
95.04935	2.8
95.08039	1.1
95.08594	12.5
96.08109	2.5
97.10146	3.1
97.99866	0.6
98.06043	1.4
98.97567	2.2
100.07586	1.1
105.07008	4.4
107.04893	1.0
107.08569	3.4
108.08121	1.0
109.06483	1.1
109.10143	6.2
112.07603	1.3
116.98600	2.9
117.06937	0.7
119.08553	2.7
121.10127	3.8
122.09663	1.7
123.04410	1.1
123.08035	1.4
123.11716	1.6
133.10115	3.0
134.99667	4.5
135.11667	2.2
136.06163	2.7
147.04340	0.7
147.11702	1.4
153.00661	1.4
158.01279	0.9
161.13272	0.9
161.68178	0.7
163.07542	0.9
178.08621	0.9
195.08110	0.7
207.08023	1.1
229.20575	0.7
235.07401	1.2
245.22594	0.8
250.25272	6.7
262.25281	3.4
263.37521	0.7
267.10175	1.0
270.11197	1.6
274.97513	3.7
280.26334	100.0
281.26605	2.4
292.98572	3.6
295.91708	0.6
297.98911	1.0
298.07254	1.2
298.10721	5.5
298.14267	3.6
298.27457	6.9
299.05511	2.5
299.09213	1.7
299.12741	1.9
299.19717	0.7
315.99829	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2422
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03920	1.7
55.01859	7.0
55.05508	56.1
56.96552	6.2
57.03428	9.0
57.07073	10.0
62.12040	1.8
67.05502	73.5
67.50153	1.8
68.05805	2.1
69.03407	5.2
69.06722	3.5
69.07065	50.9
70.07359	2.0
70.60958	4.3
70.61342	3.5
71.04961	4.5
71.08627	11.8
75.61884	1.8
79.05060	2.5
79.05489	33.8
81.07053	85.4
83.04961	7.4
83.08614	31.3
85.06522	6.8
91.05483	10.7
92.49940	1.7
93.07037	32.1
95.04955	2.1
95.08601	63.3
97.06529	11.5
97.10165	41.4
98.17843	1.8
99.08054	4.1
105.07047	9.4
107.08595	34.9
109.06516	4.1
109.09451	3.4
109.10155	41.8
111.08044	7.6
111.11720	2.3
117.07039	4.6
119.08571	8.6
121.10134	13.7
123.11707	13.6
125.09618	32.9
131.08559	5.5
133.10095	6.3
135.08043	5.3
135.10692	1.9
135.11700	29.7
137.09628	2.3
137.13249	13.3
141.12691	2.6
143.10583	2.2
145.10117	5.9
147.11687	9.0
149.13264	8.4
151.07535	3.7
151.11194	3.0
151.14810	4.1
153.12711	8.4
155.10785	2.0
159.11636	5.0
161.13269	4.2
163.14809	4.1
165.12721	2.1
168.75536	1.9
169.15846	4.0
171.10182	1.8
173.11739	8.6
173.13187	3.8
175.14842	3.3
179.14273	2.3
181.12157	3.7
183.13788	32.8
187.14801	4.0
189.11201	18.9
189.16328	2.3
195.13834	2.5
201.16345	2.9
209.15324	3.8
233.15543	3.2
233.22589	3.2
243.21198	11.7
251.23698	8.4
261.22137	27.0
266.12534	3.3
271.67871	6.0
279.23169	100.0
280.23636	3.5
294.68082	5.2
297.18576	3.7
297.24280	13.2
297.68237	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	297.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.05513	1.1
56.96562	1.2
57.07066	0.3
58.06589	0.6
60.04517	0.3
67.02089	0.2
67.05504	1.1
68.05026	1.3
69.03425	0.5
69.07061	0.6
69.44345	0.7
69.44771	1.3
70.06583	1.8
70.56151	0.2
71.04969	0.6
72.08153	3.9
73.04725	0.2
73.06522	0.3
74.97590	0.2
79.05470	1.5
80.05007	0.5
81.03407	0.6
81.07039	1.6
82.06566	1.0
83.04949	0.4
83.08601	0.4
84.04504	0.5
84.08140	5.0
84.63425	0.2
85.02877	0.7
85.06517	0.4
86.06023	0.5
86.09683	0.8
87.04436	0.2
89.10749	0.3
91.05420	1.8
93.07029	2.0
94.06546	0.8
95.04963	0.9
95.07307	0.2
95.08580	0.8
96.04482	2.9
96.08123	6.3
97.02901	0.3
97.06523	1.6
98.06056	1.9
98.09683	3.8
98.21485	0.3
100.07582	0.4
105.07010	0.7
107.04959	1.1
107.08575	0.4
108.08096	0.8
109.02860	1.0
109.06465	0.5
109.08894	0.2
110.05991	0.3
110.09675	6.0
111.08072	0.5
112.07605	1.2
114.05550	1.2
114.12405	0.2
116.06998	0.2
117.06998	0.7
119.04922	0.3
119.08572	0.7
120.08103	1.4
121.02876	0.3
121.06475	0.5
121.10117	0.4
122.06039	0.2
122.09652	0.8
123.04405	0.4
124.07589	6.1
124.10352	0.4
124.11221	5.4
125.06027	0.4
126.09163	0.4
127.03873	0.4
128.06197	0.4
128.07069	5.0
128.10738	0.5
129.06985	0.3
130.06491	0.3
130.08649	0.3
131.08505	0.6
132.08069	0.5
133.06398	0.2
133.08861	0.2
133.10127	0.4
134.05984	0.3
134.09612	0.9
135.07993	0.4
136.06181	1.6
136.07559	0.8
136.11183	0.4
137.05954	1.6
138.05463	0.3
138.09122	3.3
139.07565	0.5
140.10678	1.0
142.07759	0.3
142.12317	1.2
143.08492	0.4
145.10095	0.7
146.09618	0.5
147.04390	2.1
148.07541	0.8
148.11185	0.3
149.02348	0.3
149.05960	0.3
149.08327	0.3
150.09137	3.7
150.12755	0.8
152.10623	0.3
153.05510	0.2
154.12178	0.3
156.10236	0.3
160.07529	0.2
160.11197	0.4
161.09708	0.3
161.22269	0.2
162.09140	2.9
163.03987	0.5
163.07571	0.3
164.10683	3.2
165.05429	0.3
166.12238	0.2
167.07100	0.3
168.13824	1.5
171.11661	0.4
174.09160	0.7
174.12740	0.4
176.10693	1.1
176.14302	0.4
177.02182	0.7
177.05492	0.3
180.10190	0.7
181.13347	0.4
185.09705	0.3
188.14354	0.7
192.06522	0.3
194.11697	0.4
195.03264	0.9
201.09184	0.2
204.13860	3.9
205.13510	0.3
206.15396	0.5
208.09651	0.4
209.07088	0.2
216.13824	2.4
220.09637	0.3
223.14449	0.4
234.14853	0.5
235.14372	0.4
235.17993	0.5
236.16400	0.7
247.18124	0.5
248.16438	0.5
251.10001	0.2
261.15878	0.3
265.19080	3.3
266.99765	0.4
279.13809	0.4
279.16956	1.1
280.08844	0.3
280.11758	0.9
280.15082	0.4
283.02979	0.8
297.14484	2.6
297.18256	4.7
297.21692	100.0
298.16547	0.4
298.22067	2.3
299.06085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2171
Annotation	CHEBI:44612
Peak:m/z	Relative Intensity
52.51444	0.2
54.83189	0.2
55.01867	0.8
55.05503	0.9
55.62674	0.2
55.77577	0.3
58.06593	0.7
61.01143	3.6
67.05490	0.8
68.05014	1.0
69.03408	0.6
69.73640	1.6
70.06579	1.1
72.08148	1.8
75.02703	1.6
79.05480	0.9
81.07043	1.7
82.06560	0.8
83.08624	0.2
84.08136	4.4
85.02932	0.2
86.06033	0.6
86.09671	0.4
91.05482	1.1
92.43274	0.3
93.07037	2.0
94.06564	0.6
95.04956	0.4
95.07359	0.3
95.08601	0.5
96.04477	2.5
96.08124	6.1
97.02884	1.2
97.06523	1.9
98.06039	2.2
98.09691	4.5
100.07610	0.5
103.02169	0.3
105.07043	0.9
107.04949	0.4
107.08576	0.7
108.08092	0.7
109.02867	0.3
109.06482	0.8
110.08983	0.5
110.09669	5.7
111.08049	0.3
112.07584	0.9
114.05512	0.7
117.06979	0.3
119.03560	0.4
119.08611	0.6
120.08080	0.7
121.06475	0.3
122.09650	0.7
124.07583	7.7
124.11220	7.7
124.12133	0.4
125.05930	0.3
126.09208	0.4
128.07074	3.0
128.10721	0.6
129.06982	0.3
131.08553	0.4
132.08041	0.6
134.09618	0.7
135.08005	0.3
136.06175	72.4
136.11159	0.6
137.05997	0.4
138.09117	3.1
139.07523	1.0
140.10643	1.2
142.12212	1.4
145.03157	0.9
146.09682	0.7
147.04433	0.7
147.08008	0.5
147.10435	0.4
148.07549	0.8
148.11191	0.6
150.09145	4.1
150.12778	1.1
154.12280	1.3
156.10237	0.6
157.10129	0.9
160.11215	0.3
162.09128	3.2
163.04228	0.9
163.07481	0.3
164.10704	3.7
168.13838	1.2
172.11186	0.3
174.09106	0.9
174.12762	0.4
176.10670	0.9
180.10245	1.2
187.10999	0.3
188.14388	0.9
204.13834	4.7
206.15410	0.5
216.13799	3.0
222.15024	0.3
223.14363	0.4
234.14951	0.7
235.18069	0.9
236.16454	0.8
247.10602	0.3
247.18039	0.8
248.16493	0.5
265.19098	3.8
279.17126	0.3
297.21698	100.0
298.09665	3.9
298.21973	1.3
299.06030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05505	2.6
56.05032	1.2
56.96544	0.7
57.07066	0.5
58.06583	1.7
59.04977	0.6
60.05645	0.5
63.72651	0.5
65.03919	0.5
67.05476	1.4
68.05016	1.2
69.03414	1.0
69.07058	0.9
69.64700	3.1
70.06577	5.1
71.04981	0.7
72.04546	0.4
72.08146	8.7
73.08480	0.5
79.05492	2.9
80.05015	1.0
81.07050	1.9
82.06577	1.4
83.07339	0.8
84.04496	1.8
84.08131	7.8
85.02882	1.9
86.06057	1.7
86.09691	1.7
89.10793	1.1
91.05468	2.2
92.27112	0.5
93.07039	3.2
94.06538	1.8
95.04951	1.2
96.04491	2.5
96.08116	10.0
97.06509	1.2
98.06029	3.5
98.09674	5.3
98.97567	0.5
100.07603	0.9
101.05988	0.9
101.94355	0.4
102.05516	0.5
105.07016	0.9
107.04946	1.4
107.08620	1.0
108.08119	3.4
109.06499	0.8
109.08893	2.8
110.07125	0.5
110.09666	8.1
112.07588	1.8
114.05544	1.3
114.09134	2.6
116.07113	0.4
117.06966	0.7
119.04869	1.0
119.08558	1.3
120.08099	1.3
121.02834	0.7
122.06024	0.8
122.09687	3.1
124.07578	10.2
124.11199	6.6
126.09116	0.9
128.07072	3.1
130.08609	2.3
132.08105	1.2
134.05998	0.6
134.09656	0.9
135.08038	1.4
136.06175	5.3
136.07523	2.1
136.11176	1.3
138.09097	2.9
140.07047	1.2
140.10649	1.0
142.12251	0.8
145.02835	2.1
145.07518	0.5
146.05991	0.7
146.09625	0.9
147.04399	4.0
148.04730	0.8
148.07544	0.9
148.11203	1.5
149.04906	0.5
150.09125	63.9
150.12759	27.2
151.09711	0.6
152.07034	0.6
152.10686	1.7
153.10144	0.5
154.08615	9.8
162.09099	4.6
163.03900	1.4
163.08662	1.7
164.10657	3.3
166.07240	6.6
166.08533	0.8
167.05656	0.7
168.10187	0.8
168.13774	0.9
174.09160	0.9
174.12561	0.5
176.10692	1.0
177.05412	3.2
180.10175	40.5
181.10779	0.6
182.08197	0.6
188.14233	0.6
193.13359	0.7
194.11734	13.8
195.14951	1.7
196.09659	0.6
196.13412	0.7
204.10472	0.5
204.13817	1.9
205.13371	2.4
216.13809	1.5
218.11708	0.9
219.04207	0.5
220.13345	0.8
223.14374	2.8
233.12883	0.8
235.14426	0.7
235.18027	12.2
236.16284	0.6
238.10844	0.6
244.54164	0.5
249.15990	0.6
251.13980	0.6
255.13426	3.0
261.15958	1.1
262.14380	0.5
263.17407	0.6
265.19064	1.6
266.99881	0.7
279.13681	1.2
279.16956	12.4
280.17667	0.6
283.02994	0.9
289.91064	0.5
297.14529	6.2
297.18079	49.6
297.21698	100.0
298.09268	1.1
298.16241	3.9
298.22046	1.4
299.06229	2.6
299.70187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71171	0.4
55.01639	0.5
55.01888	1.5
55.05511	0.8
58.06593	0.9
60.47886	0.5
67.05492	1.0
68.05028	0.9
70.06573	2.3
70.77332	1.0
70.77700	1.0
72.08157	0.9
74.11119	0.5
79.05479	1.5
80.05009	0.7
81.03412	0.5
81.07054	0.9
82.06580	1.0
84.08142	5.2
86.06049	1.6
86.09730	0.6
86.79296	0.4
91.05472	1.3
92.82653	0.4
93.07043	3.5
94.06562	1.4
96.04492	2.3
96.08118	9.6
97.02897	0.4
97.06513	1.2
98.06050	1.9
98.09682	2.6
100.07589	0.8
105.06998	0.8
107.04948	0.7
107.08592	0.7
108.08125	1.6
109.08904	1.0
110.09678	7.5
112.07615	1.0
114.05484	1.0
117.07012	0.5
119.08586	0.7
120.08094	0.9
122.09646	7.0
123.04398	0.5
124.07580	11.2
124.11218	4.1
125.05962	0.6
128.07066	2.9
128.10716	0.4
131.08592	0.6
134.09612	0.8
136.06168	1.4
136.07634	0.9
136.11179	1.0
138.09120	3.7
139.07542	0.5
140.10721	1.5
146.09702	1.0
148.07527	0.6
148.11145	0.9
150.09125	72.0
150.12750	7.4
151.09476	0.5
154.12331	0.5
157.10132	0.6
162.09102	3.5
162.12665	0.4
164.10686	4.1
168.13800	1.2
174.09192	0.9
174.12746	0.7
176.10670	1.1
176.14330	0.5
178.03609	0.6
178.12239	0.8
180.10176	45.8
181.10442	0.4
181.13359	1.2
183.02893	0.6
185.37299	0.5
188.14308	0.9
193.81711	0.4
194.11801	0.5
204.13820	3.9
204.27501	0.5
205.13345	1.8
206.15463	0.7
216.13791	2.8
219.02841	0.6
223.14459	1.8
235.18037	10.4
236.16429	0.5
247.17992	0.6
251.17552	2.4
253.15318	0.5
265.19055	3.5
267.00116	0.5
279.13892	0.7
279.17059	3.9
297.14407	4.1
297.17999	13.3
297.21640	100.0
298.21985	1.6
299.06052	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	297.1808
Annotation	3beta,4alpha,13alpha-Trihydroxylupanine
Peak:m/z	Relative Intensity
51.29514	0.5
53.03930	0.9
54.27134	0.5
55.01858	1.6
55.05500	2.5
56.05036	0.6
56.96558	2.1
57.03418	0.9
57.96771	0.6
58.06593	1.6
61.02932	0.9
67.05494	2.0
68.05016	2.3
69.03416	1.5
69.07049	1.1
70.06588	5.7
70.09851	1.2
70.10265	2.5
71.04990	0.7
72.08146	9.1
73.02924	0.7
79.05458	1.8
80.04977	0.7
81.03387	1.1
81.07040	1.9
82.06563	2.1
83.05002	0.7
84.04488	2.9
84.08125	3.9
85.02908	3.8
86.06058	1.2
86.09714	0.7
89.10807	0.7
91.05476	2.4
93.07030	3.0
94.06566	1.9
95.04967	1.4
95.08579	0.9
96.04481	2.3
96.08118	3.0
97.02869	2.0
97.06525	1.3
98.06051	3.6
98.09684	13.6
98.97588	3.5
100.07632	1.3
105.07023	0.8
107.04921	1.0
107.08587	1.0
108.08117	5.7
109.02889	0.8
109.06506	0.6
109.08875	8.3
109.10075	0.6
110.06001	1.0
110.09678	0.8
111.04444	0.8
112.07620	1.6
114.05565	0.6
114.09154	2.8
116.98581	3.2
117.07036	0.8
118.06519	0.9
119.04912	0.6
119.08561	1.1
120.08088	1.6
122.06003	1.3
122.07082	0.7
122.09663	2.3
123.04459	1.0
123.07972	0.7
124.03931	1.3
124.07608	1.1
124.10365	1.0
124.11222	13.9
125.05963	1.3
127.03939	0.8
130.08618	1.0
134.06017	1.7
134.09657	1.2
134.99672	2.2
135.08012	5.1
136.06178	12.7
136.07515	1.6
137.05946	2.1
138.05492	0.9
138.09105	1.0
139.03918	1.0
140.07034	0.9
146.06020	1.2
146.99620	0.9
147.04375	2.4
148.07571	1.3
148.11220	3.8
150.12766	83.6
151.13062	1.3
152.07076	1.0
152.10692	1.4
154.08617	27.5
158.99533	0.8
162.05443	1.0
162.09081	1.0
163.03859	1.0
164.07056	2.7
164.10637	0.7
165.10295	0.8
166.12271	1.3
168.06555	0.8
168.10213	1.3
176.10677	0.8
178.12238	0.7
180.10257	0.8
180.13832	0.8
182.08083	1.2
182.11655	1.0
191.11769	0.8
194.08086	1.4
194.11751	19.7
207.08115	0.9
212.09198	1.4
218.11777	2.2
226.10683	1.0
233.12741	0.7
233.16498	0.6
235.07492	1.2
235.17931	3.8
236.07747	1.0
236.12810	1.8
237.02797	0.8
237.12321	0.9
237.16014	3.0
239.11432	0.6
251.10245	0.7
251.17632	1.0
255.13361	12.4
261.12659	0.7
261.15948	2.8
262.14264	0.9
266.12524	0.8
266.99908	1.3
274.97458	0.9
279.09937	0.8
279.17007	25.1
279.20105	1.3
280.05417	0.8
280.11884	1.2
281.92612	0.7
283.02969	0.9
292.98715	0.9
297.14569	6.2
297.18042	100.0
298.09344	1.8
298.18530	1.3
299.06119	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	297.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.2
58.06593	1.0
65.87820	0.5
67.05488	0.8
68.05025	1.9
69.03423	0.6
69.07027	0.5
70.06591	3.8
70.79320	2.0
72.08147	2.7
79.05485	1.2
81.07025	0.8
82.06580	0.9
84.04515	3.8
84.08121	1.6
85.02868	1.0
87.39302	0.7
89.10778	0.6
91.05469	2.0
93.07034	2.7
94.06556	2.0
95.04981	0.9
95.07330	0.8
96.04482	3.4
96.08121	2.1
97.06529	0.9
98.06062	3.0
98.09705	3.9
105.07008	0.9
107.08583	0.5
108.08099	6.0
109.08891	8.9
110.55238	0.7
112.07572	1.6
114.05563	0.7
114.09155	2.7
119.08603	1.2
120.08110	2.1
121.74746	0.6
122.09702	1.3
124.11230	3.7
134.09569	1.0
135.08063	5.0
136.06171	2.4
137.23094	0.5
138.09151	0.7
146.05962	0.5
147.04384	1.1
147.08090	1.2
148.11214	3.3
150.12772	100.0
151.13124	2.4
152.07079	0.5
152.10680	2.3
153.05873	0.6
154.08623	39.3
155.08923	0.6
155.30670	0.6
164.10652	0.6
166.12265	0.6
168.10072	0.6
168.68324	0.5
176.10666	1.2
179.09464	0.9
182.08101	0.7
190.12212	0.6
194.11755	28.2
195.14902	0.7
196.13368	0.6
218.11725	1.5
222.11450	0.5
235.18060	3.7
236.12823	2.4
245.16501	1.1
254.14026	0.7
255.13405	4.0
261.15872	1.0
279.14136	0.5
279.17014	13.9
297.18066	77.5
298.18399	1.4
299.06244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
54.11098	1.1
55.01868	1.8
55.05505	3.7
56.05019	1.5
56.96561	2.2
57.07067	1.9
58.06584	4.7
60.04513	2.9
61.32402	1.1
66.72105	1.1
67.05492	5.0
69.07053	2.4
69.33883	1.1
69.95951	6.4
70.06597	9.2
71.05001	1.9
72.08150	27.6
79.05488	6.6
80.05012	5.1
81.03399	1.2
81.05778	1.6
81.07054	5.5
82.06570	3.1
83.04947	1.3
84.04504	11.8
84.08150	12.9
85.02863	2.6
86.06037	1.5
86.09682	1.5
89.10770	1.5
91.05413	10.6
93.05774	1.1
93.07044	9.5
94.06566	5.8
94.07809	2.1
95.04943	3.7
95.08591	7.9
96.08134	7.5
97.02883	2.2
97.06559	1.4
98.06029	5.7
98.09711	2.8
100.07614	2.8
101.31997	1.0
105.07001	3.2
106.06551	1.8
107.04925	4.8
107.08588	4.3
108.08105	11.6
109.02863	3.6
109.06519	1.2
109.08899	15.8
109.10127	2.1
110.06028	2.6
110.09667	4.2
111.04463	1.9
112.07590	6.0
114.09164	2.3
116.98601	2.5
117.06973	2.3
119.04912	5.0
119.08548	1.9
120.08082	2.4
121.02867	1.8
121.06518	2.2
121.08914	2.8
121.10156	2.8
122.06027	2.6
122.09647	5.6
123.04398	1.6
123.08006	1.4
123.10488	1.3
124.03905	1.7
124.07594	6.8
124.11205	6.6
127.03926	1.2
128.03436	1.7
130.05011	3.2
130.08624	11.5
132.10204	1.2
133.10042	1.2
134.05988	1.4
134.09651	2.8
135.00774	2.3
135.04395	1.4
135.09372	1.3
135.10405	1.3
136.03850	1.4
136.05270	1.3
136.06137	5.5
136.07654	1.6
136.11183	4.8
137.05988	2.7
138.09135	2.6
139.03894	18.6
140.07071	1.3
140.10727	1.6
145.06444	1.7
146.05956	1.1
147.04390	3.8
147.08023	1.5
148.07649	2.4
148.11147	1.3
150.05460	1.8
150.09157	9.8
150.12770	100.0
151.07532	46.7
152.10693	1.3
162.05525	1.6
162.09152	12.4
163.03900	1.3
164.10750	4.1
165.07880	1.2
167.03391	17.6
168.10156	7.5
174.09178	1.9
176.10643	6.3
178.08566	1.8
179.11783	4.8
180.10194	3.0
181.13371	9.1
188.07140	1.2
188.10645	1.5
192.10197	2.9
193.13434	2.5
195.02808	1.3
197.12843	1.4
202.08560	5.8
204.10213	1.3
205.13377	6.2
205.88545	1.1
206.08086	2.7
206.11769	1.3
207.14961	4.6
209.04480	5.3
217.17046	1.2
218.11723	2.1
220.09772	1.9
220.13313	1.2
223.14383	5.0
225.04274	1.7
227.05405	2.1
232.09541	1.2
233.12872	13.1
234.11345	2.4
235.14519	2.0
235.18024	8.2
245.12863	3.7
248.09238	2.8
251.10257	1.5
251.13855	4.4
251.17444	1.5
261.12326	3.7
262.13150	2.9
263.13861	7.8
265.11603	1.3
266.12665	1.5
266.99915	5.2
279.13351	13.2
279.16928	7.5
279.23349	2.8
280.11737	26.9
280.14474	2.7
281.05209	1.1
283.03033	4.7
297.14426	87.3
297.18033	58.9
297.21539	8.4
299.06140	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	297.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05515	8.2
56.05020	2.1
56.96564	6.9
57.07047	1.4
58.06595	1.1
65.03919	2.6
67.05492	2.7
68.05017	1.9
68.99760	1.7
69.03413	2.9
69.05819	7.7
69.07048	3.1
70.06585	32.4
71.04961	1.3
71.61724	1.6
72.08149	100.0
73.06548	2.2
74.97558	1.4
79.05470	3.6
80.83289	0.9
81.03410	2.4
81.07025	2.4
82.06565	2.4
83.04947	1.0
84.04472	2.2
84.08140	5.5
85.02896	4.5
85.06510	1.7
85.60626	0.9
86.06065	1.3
86.09682	4.0
89.03917	2.0
89.06009	2.7
89.10780	13.3
91.05428	5.3
93.03403	2.2
93.07017	2.7
94.06566	1.1
95.04971	4.9
95.08581	1.9
96.04489	1.3
96.08101	2.4
97.02879	1.9
97.06532	5.2
98.06039	19.4
98.09687	3.2
98.97574	1.1
99.04420	1.2
99.09205	1.6
100.07586	1.8
102.09158	1.5
103.03925	3.7
103.05434	1.4
105.03346	2.2
105.07004	1.9
107.04947	7.9
107.08578	2.1
109.02846	4.0
109.06490	2.5
110.06038	1.4
110.09660	1.1
111.04430	3.5
115.08684	11.8
117.03341	2.5
119.04902	4.0
119.08502	2.0
120.08104	1.4
121.02869	11.6
121.06436	1.3
122.03634	1.9
122.06025	1.3
123.04409	2.9
124.07552	3.3
124.11209	1.3
125.05964	4.0
127.03954	1.5
127.08681	13.4
128.07071	3.3
130.04112	1.5
130.08586	2.1
131.04892	3.5
133.02843	6.8
133.06450	1.1
133.08630	1.2
134.03609	3.9
135.04388	4.3
135.08066	1.1
136.06183	3.9
136.11243	1.4
137.04883	1.2
137.05959	21.6
138.05505	1.9
138.09019	1.0
139.03908	1.8
140.07033	1.7
145.02826	10.2
146.03604	3.3
146.05998	1.8
147.04398	15.6
148.03928	1.0
148.05145	4.6
148.07443	1.7
149.02318	13.1
149.05913	1.3
150.06715	2.4
150.09084	1.2
151.03868	6.5
151.07472	1.1
152.07042	3.8
153.05444	6.3
159.04350	1.1
161.02267	1.2
161.05925	1.4
162.03090	2.3
162.05443	1.2
163.03903	7.1
164.07092	1.6
165.05460	8.2
166.06242	1.4
167.03415	1.7
167.06995	2.1
169.00172	1.0
174.05446	1.2
176.04651	2.9
176.06932	1.2
177.01918	5.3
177.04022	1.6
177.05446	19.1
178.02641	1.1
178.04855	1.4
178.06221	3.3
178.08499	1.2
179.03488	1.2
180.06572	1.5
181.04953	6.1
191.03342	2.8
192.06535	5.7
195.03226	4.2
195.08766	1.6
204.10313	1.2
206.11696	1.9
208.06050	2.0
209.04445	11.4
216.10248	1.3
218.11774	2.4
220.09663	2.0
223.14417	3.0
225.04202	2.0
233.12912	1.2
234.11148	2.8
235.12148	2.1
236.07840	2.4
239.02260	1.1
247.12231	1.1
248.09163	2.0
248.11407	1.2
250.13087	2.7
251.10274	1.9
261.12228	2.1
262.10559	5.9
263.13879	2.6
264.14694	10.6
265.08810	1.8
265.12009	2.8
266.09000	2.5
266.12543	3.3
266.99844	2.8
279.13345	12.3
279.16824	5.4
279.23053	2.5
280.11783	13.3
280.14795	1.2
283.03085	3.2
296.92096	1.2
297.14386	33.1
297.18005	18.4
297.21652	5.3
298.09442	1.8
298.14224	2.2
299.06107	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	297.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.9
56.05008	2.6
59.62593	1.6
63.74060	1.8
67.05502	4.1
69.03415	4.3
69.07062	4.1
70.03537	5.6
70.03950	4.6
70.06284	1.7
70.06587	17.3
72.08149	87.8
79.05474	6.5
79.26968	1.9
81.03411	2.9
81.07056	4.2
82.06593	2.0
82.41618	1.9
83.08635	2.5
84.04491	7.8
84.08141	12.3
85.02901	3.5
86.09696	3.4
89.10785	7.9
90.23199	1.8
91.05468	7.9
92.99461	1.7
93.07045	4.0
94.64568	1.7
95.04960	5.0
95.08592	2.5
96.08119	3.9
97.02877	4.2
97.06539	2.6
98.06055	13.5
98.97576	3.1
99.04458	2.0
99.09137	1.7
105.07011	2.6
107.04952	9.6
107.08580	4.3
108.08128	2.2
109.02862	7.7
109.10118	2.6
110.06033	1.8
111.04433	5.4
112.07610	3.3
114.09149	3.8
115.08665	4.4
115.09442	2.1
116.98572	4.0
119.04925	6.7
119.08523	3.0
120.08065	2.1
121.02828	6.3
122.09659	3.0
123.04411	3.6
124.07555	1.9
126.20780	1.8
127.03915	2.5
127.08676	11.7
127.62130	1.8
129.06940	1.8
130.05028	2.1
130.08635	3.5
131.04924	2.8
131.08571	2.5
132.07986	2.0
133.02846	3.0
134.03618	1.9
134.99649	4.3
135.00697	3.3
135.04388	4.9
136.06175	8.7
137.05983	9.7
138.05524	2.5
139.03902	14.4
139.07542	1.9
145.02815	6.1
147.04370	12.1
148.07561	4.2
149.02350	6.9
150.05634	1.9
150.09181	2.5
150.12782	9.5
151.03848	4.3
151.07521	37.9
152.07043	2.9
153.05450	2.8
162.09108	3.5
163.03917	3.8
165.05447	2.2
165.09097	4.7
167.03383	16.5
168.10162	4.5
176.07036	2.5
177.05440	8.3
181.04967	3.2
192.06514	8.7
204.06606	2.2
205.13356	18.9
206.04570	1.9
206.08260	2.6
208.08273	3.1
209.04408	9.3
218.11710	3.6
223.59396	2.0
225.04236	2.1
227.05519	2.1
233.12823	50.1
235.07555	3.3
246.11292	8.8
251.10139	2.8
251.13921	6.4
261.12372	9.0
262.10648	2.8
263.13828	5.5
264.14682	3.0
265.08780	2.6
265.11963	3.0
266.08963	5.9
266.12640	5.5
266.99872	6.8
279.10504	3.1
279.13400	30.3
279.16699	3.7
279.23383	2.2
280.11795	23.9
280.14667	3.0
283.02957	7.6
297.14395	100.0
297.18091	28.6
297.21506	4.6
298.10727	2.1
298.14511	4.3
299.06097	20.4
300.06009	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	296.1853
Annotation	Lycoposerramine F
Peak:m/z	Relative Intensity
52.05671	0.4
55.01863	4.8
55.05501	1.5
67.05495	7.1
69.03390	0.4
69.07047	0.9
69.91541	2.5
70.06590	3.4
70.85703	0.3
71.04958	0.4
72.08152	2.7
79.05483	1.4
81.07059	3.9
82.75120	0.4
84.08130	1.7
85.06542	6.3
86.09702	0.8
91.05468	1.0
93.07035	1.0
95.04961	35.7
96.05269	0.6
96.08141	0.9
97.02905	0.5
97.06518	0.4
98.09686	17.6
101.06013	1.1
105.07063	0.4
107.04945	0.9
107.08627	0.5
109.02836	1.0
109.06544	3.1
117.07037	0.6
119.04925	1.3
120.08087	1.2
121.02871	0.8
122.09671	0.5
123.04470	0.5
124.11221	22.5
127.07551	14.3
133.10138	0.5
138.09175	0.4
142.12273	0.7
146.07976	0.4
147.04425	2.3
148.04704	0.6
150.12767	0.7
155.07021	64.2
156.07362	0.9
160.97717	0.4
169.08595	3.3
175.03870	0.6
179.03268	0.5
195.02924	1.1
196.03206	1.3
207.06480	0.7
217.90651	0.5
224.12816	0.9
234.10432	0.7
235.07552	0.8
250.09888	1.4
254.13876	4.5
265.08832	0.5
265.12253	2.5
266.17560	1.7
267.06451	1.2
268.07309	1.0
278.17523	10.6
295.05957	0.5
296.06439	7.6
296.18567	100.0
297.07593	3.3
297.19012	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01862	13.3
55.05508	33.6
57.03414	4.4
57.07066	8.2
59.22279	3.0
65.03932	4.1
67.05499	100.0
69.03436	7.3
69.07058	32.9
69.97131	20.0
71.04985	7.9
71.08618	15.1
79.05482	36.4
81.03402	6.6
81.07050	97.9
83.04980	13.8
83.08614	25.2
85.06529	5.3
87.04434	5.3
91.05475	24.7
93.07037	49.2
95.04958	12.9
95.08591	79.9
97.06522	9.1
97.10179	17.2
99.08076	9.0
101.05988	3.8
105.07032	23.0
107.04961	5.3
107.08585	28.9
109.10139	42.9
111.08039	12.0
113.09649	4.4
117.06961	4.0
119.08546	19.2
121.06524	4.4
121.10114	20.3
123.11668	15.8
125.09586	11.9
129.07042	3.8
131.08594	8.8
133.10121	23.7
135.08005	4.7
135.11630	16.3
137.09567	6.5
137.13261	6.4
139.11182	3.6
139.18430	3.4
143.08525	5.4
144.10880	3.0
145.10114	7.1
147.11681	8.9
149.09612	4.6
149.13240	12.1
151.07530	5.1
151.11188	9.6
157.10156	5.1
157.66344	3.3
159.11681	7.8
161.13248	14.3
163.11223	3.8
163.14767	4.3
165.07005	5.5
165.12793	9.2
171.11665	7.9
173.13258	4.2
175.14827	6.5
179.14359	7.3
181.12253	3.4
184.07283	6.9
185.13191	5.9
189.11230	10.2
193.15863	3.5
195.02866	6.2
199.14902	6.9
207.08040	9.2
211.07526	6.1
217.15936	4.3
231.21078	5.8
234.10310	4.7
235.07555	14.2
239.06978	9.4
250.09845	14.2
253.05042	3.7
259.20535	10.2
265.08633	14.6
265.12219	24.6
267.06577	13.2
267.23190	3.2
277.21622	71.5
295.02789	7.1
295.05954	70.4
295.22650	47.5
296.06573	22.7
296.12799	15.3
296.16379	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03927	5.4
53.40670	2.9
55.01871	18.0
55.05506	35.2
57.03416	3.0
57.07087	5.5
57.45652	2.6
65.03943	3.5
67.05495	74.4
69.03429	4.2
69.07062	44.7
69.88332	3.9
69.88747	12.0
71.04988	7.1
77.57397	2.6
79.05489	35.7
81.03422	5.8
81.07049	74.9
83.04980	8.7
83.08607	28.0
85.06521	4.7
87.49334	2.6
91.05484	26.8
93.07037	48.4
93.71006	2.7
93.97676	2.6
95.04958	7.6
95.08602	59.4
97.06496	17.1
97.10155	20.6
98.20807	3.9
99.08072	4.5
105.07030	20.8
107.08585	43.1
109.02930	3.2
109.06493	5.8
109.10141	32.3
111.08080	7.2
112.62450	2.5
117.07004	3.8
119.08582	19.1
121.10126	36.6
122.03646	4.5
123.04003	3.3
123.08054	6.4
123.11698	8.6
125.09644	10.8
129.07059	2.7
131.08566	9.9
133.10115	18.1
135.11667	24.6
137.05966	93.1
137.09613	4.5
137.13306	2.6
138.06302	81.4
139.11130	13.9
143.08597	3.4
145.10150	7.1
147.11673	24.7
149.09541	3.9
149.13248	16.3
151.11169	4.9
157.10133	7.0
159.11725	7.9
161.13264	8.6
163.11151	4.7
163.14786	4.6
165.12761	8.7
171.11612	3.7
173.13260	6.1
174.08598	2.6
175.11188	3.8
175.14842	6.4
185.13205	2.3
187.14906	3.2
189.11221	7.6
193.15962	2.7
203.12814	5.8
207.08014	3.7
207.17424	3.0
231.21019	5.6
235.07545	7.0
241.19615	5.8
249.21980	3.1
250.09766	7.2
259.20615	16.3
265.08783	4.9
265.12198	8.7
277.21619	100.0
295.05969	25.2
295.09088	4.8
295.22556	19.9
296.12732	6.1
296.16223	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03931	1.0
55.05504	7.4
57.07053	2.2
59.50570	0.9
65.03916	3.0
67.05499	94.6
69.03421	1.7
69.07061	7.7
70.82636	1.5
70.83039	1.9
71.04994	1.0
76.08224	0.9
79.05488	9.7
81.07050	100.0
83.04976	1.8
83.08618	4.0
87.04472	4.0
91.05460	4.7
93.07044	8.7
95.08598	80.6
97.06500	1.9
97.10134	1.7
101.05985	3.3
105.07030	2.1
107.08622	4.1
108.31116	0.9
109.02882	1.5
109.10147	50.4
115.03923	4.0
115.07603	0.9
119.04964	1.0
119.08569	3.9
121.10118	6.2
123.11696	30.7
129.05482	1.7
133.10130	4.2
135.11717	5.5
137.13228	9.8
139.11157	1.0
147.11662	2.8
149.13235	3.8
151.14792	2.6
161.13254	2.8
165.12787	1.4
167.14299	1.5
175.14816	2.9
177.01759	0.9
189.16336	1.2
195.02910	3.3
225.14888	1.4
231.21133	2.5
239.07024	1.0
239.16429	2.3
249.22116	2.4
250.09874	0.9
253.18031	0.9
259.20712	0.8
265.12314	1.3
277.21646	1.4
295.05981	18.8
295.22656	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	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03932	10.6
55.01851	7.7
55.05262	3.2
55.05508	42.4
56.96556	3.0
57.03443	4.9
57.07076	13.7
66.07824	2.4
67.05501	73.2
68.05828	2.8
69.03413	5.1
69.07064	32.5
70.44185	8.9
71.04983	6.9
71.08633	44.1
79.05489	44.6
80.77569	2.5
81.03416	19.2
81.07054	65.9
82.07356	2.7
83.04980	17.7
83.08619	25.0
85.02872	4.7
85.06509	3.3
85.10145	9.0
86.09693	5.9
91.05471	34.7
93.07043	49.0
95.04962	25.1
95.08599	36.7
97.02881	4.5
97.06523	13.3
97.10170	23.1
99.08095	30.3
104.10729	4.9
105.07022	22.4
107.04926	7.8
107.08595	30.0
109.06508	10.0
109.10154	28.2
111.08066	7.5
113.09621	11.0
115.49570	2.7
117.06994	6.9
119.08581	18.3
121.06470	2.8
121.10133	19.8
123.08028	8.9
123.11711	6.1
125.09630	17.6
129.06992	4.6
131.08556	10.7
133.06499	24.6
133.10114	16.6
135.08057	4.2
135.11685	14.0
137.05962	3.6
137.09573	5.1
137.13249	3.5
139.07484	3.3
139.11150	4.4
143.08571	3.8
145.10106	9.9
147.11711	13.7
149.09573	2.6
149.13206	10.7
151.11172	39.3
153.09082	3.5
153.12759	4.1
157.10016	4.5
159.11714	5.6
161.09618	2.6
161.13219	17.3
163.11139	19.5
163.14783	4.2
165.12755	16.3
168.78906	2.4
169.08510	2.7
171.11662	6.4
173.13246	5.4
175.11218	4.7
175.14737	6.8
179.10579	3.1
179.14284	14.7
184.07384	5.7
185.04858	2.9
185.13229	4.7
189.11246	15.5
189.12650	3.8
193.15979	3.5
199.14809	5.6
207.08028	3.7
207.13853	6.1
219.08006	3.2
221.11737	4.4
224.34792	2.6
231.21086	6.2
234.10429	3.6
235.07553	4.7
241.19481	6.3
249.21953	3.3
250.09798	5.8
259.20560	14.9
265.12210	9.1
277.21646	100.0
278.21860	4.0
295.06061	33.3
295.09372	5.6
295.22699	81.2
296.05978	3.5
296.16379	6.4
301.57336	2.5
307.53668	3.5
309.13708	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	295.2265
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03934	3.5
55.05509	16.6
57.03434	43.5
58.02298	2.5
64.29085	3.1
67.05495	56.9
69.07059	19.7
71.01394	3.2
71.04977	4.9
71.38113	6.8
79.05479	39.2
81.07050	100.0
83.05009	4.0
83.07615	2.7
83.08607	12.7
85.06530	8.7
91.05459	24.0
92.23683	3.0
93.07030	49.8
95.04988	4.4
95.08595	73.3
97.06545	5.4
97.10152	5.5
99.08075	3.9
104.87696	2.8
105.07030	22.2
107.08570	36.9
109.06516	7.5
109.10151	31.5
110.60392	2.9
111.08071	7.7
111.97204	2.6
113.09700	3.5
117.06973	6.5
117.81384	3.0
119.08593	15.1
119.13952	2.9
121.10123	48.6
123.08056	13.3
123.08945	2.7
123.11703	12.7
125.09624	5.9
127.48145	3.5
131.08539	17.6
133.10141	20.7
135.11682	29.1
137.09602	4.3
145.10114	12.6
147.11665	12.5
149.09654	4.4
149.13210	20.2
151.11159	5.8
159.11670	15.5
161.13266	9.2
163.11183	4.7
163.14832	6.0
171.11737	5.9
173.13257	4.4
175.11159	3.7
175.14821	4.6
181.12227	5.2
185.13290	6.4
187.14767	27.9
188.90755	3.0
201.16371	4.7
205.15868	11.0
221.19038	10.1
223.16841	15.0
235.17012	3.3
241.19449	11.5
259.20493	19.8
277.21600	95.4
295.06030	12.9
295.22717	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03937	10.4
55.01871	6.4
55.05260	1.3
55.05507	20.5
57.03424	1.4
57.07078	5.1
65.03904	1.2
65.75802	1.0
67.05501	44.9
69.03414	1.6
69.07063	33.8
70.24814	3.9
71.04991	3.0
71.08617	4.2
79.05049	2.1
79.05485	26.9
81.03413	51.6
81.07048	46.1
83.04971	13.6
83.08611	10.3
85.06528	1.5
85.10171	3.9
91.05482	12.4
93.07037	29.2
95.04961	31.0
95.08598	16.2
97.06524	4.5
97.10163	7.4
98.20767	1.1
99.08082	2.9
105.06380	1.4
105.07028	16.0
107.08585	20.2
109.06505	7.4
109.10147	15.4
111.08053	2.5
117.07008	3.7
119.08580	11.4
121.06453	1.3
121.10140	9.3
123.08049	2.8
123.11713	6.3
125.09620	6.6
129.06978	2.2
131.08546	3.8
133.10115	14.0
135.08011	2.4
135.11678	7.6
137.09566	1.3
137.13275	1.6
143.08527	2.2
145.10089	1.5
147.08002	1.4
147.11655	12.0
149.09618	2.5
149.13260	5.1
151.11174	39.5
153.09093	3.4
157.10118	3.0
161.09607	1.5
161.13242	10.1
163.11121	1.7
163.14786	3.8
165.12753	8.8
171.10316	1.3
171.11691	3.7
173.13232	2.1
175.11037	1.5
175.14851	3.5
177.12686	2.4
179.14290	4.5
185.13280	2.3
187.62958	1.0
189.12746	2.5
193.12257	3.2
199.14728	1.4
207.13799	4.0
217.15919	1.6
217.19507	1.7
219.65569	1.2
221.15280	1.8
231.21057	8.9
241.19514	5.9
249.22095	4.7
259.20517	8.7
265.12210	3.2
277.21603	100.0
278.21811	1.8
294.85437	1.1
295.22711	1.7
296.16602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.00007	2.0
53.03928	6.1
55.01863	7.0
55.05505	39.8
57.03424	5.5
57.07059	6.0
59.04970	1.9
60.08121	1.7
62.69725	1.8
65.03931	2.4
67.05498	77.4
67.90417	1.6
69.03406	5.4
69.07056	25.1
71.04971	5.5
71.06833	3.9
71.07350	1.5
71.08624	65.5
79.05048	3.2
79.05482	44.7
79.30704	1.5
79.34052	1.6
81.03408	19.0
81.07050	59.4
82.07391	2.3
83.04976	15.8
83.08201	2.2
83.08615	24.1
85.06516	6.6
86.09693	6.6
91.05470	30.0
93.07038	53.4
95.04942	13.8
95.08025	3.1
95.08597	33.2
97.06519	11.5
97.10153	23.4
99.08083	63.8
99.08733	3.4
101.06090	1.7
105.07021	27.3
106.91266	1.6
107.04948	4.4
107.08583	32.7
109.06487	6.1
109.10132	26.1
111.08069	6.2
113.09634	3.5
117.06991	7.1
119.08565	18.5
120.08960	1.7
121.10146	17.6
123.08059	5.3
123.11684	5.2
125.00008	2.1
125.09608	23.3
129.06998	4.2
131.08531	6.9
133.10133	17.2
135.08025	4.8
135.11682	21.9
139.07512	4.8
139.11140	1.9
141.09146	2.7
143.08539	7.5
144.85796	1.9
145.10118	12.9
147.11679	12.0
149.13237	13.3
151.11166	50.8
153.09088	3.6
153.12692	2.8
157.10078	4.2
158.47760	2.0
159.11664	2.9
161.13257	26.4
163.11163	18.8
163.14819	3.9
165.12737	5.1
167.10638	3.5
169.12280	1.9
171.11673	7.5
173.11807	2.5
173.13251	5.0
175.11189	2.3
175.14804	6.7
177.12732	3.5
179.14265	21.0
181.12299	2.1
184.07329	16.8
185.13304	6.2
189.11197	17.5
189.12761	3.5
193.15871	4.7
199.14819	5.7
213.59506	1.8
221.15347	6.2
231.21100	2.7
241.19582	9.7
243.71623	1.7
259.20557	13.1
265.08655	3.6
265.12308	3.5
277.21594	100.0
278.21878	2.4
278.44040	2.1
295.06015	6.3
295.22647	13.3
296.09250	2.5
296.12704	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	5.5
53.04477	1.3
55.01873	21.9
55.05511	38.1
57.03416	3.5
57.07079	9.4
60.62179	1.1
62.07664	1.0
65.03921	1.2
67.05503	63.1
69.03392	4.0
69.06731	1.9
69.07066	26.0
69.89859	2.8
69.90273	3.8
70.04065	1.1
71.04977	3.9
71.08631	31.9
76.07869	1.2
79.05060	1.7
79.05495	34.7
81.03423	13.0
81.07057	57.3
83.04977	12.8
83.08141	1.5
83.08616	27.1
85.06519	4.7
85.10173	9.2
86.09711	1.1
91.05477	29.6
93.07043	46.2
95.04967	16.7
95.08606	41.4
95.09225	2.0
97.02870	1.4
97.06525	15.2
97.10178	16.3
99.07480	1.9
99.08094	30.1
105.07028	25.1
107.04955	6.0
107.08596	25.3
109.06538	9.3
109.10155	18.8
111.04413	1.3
111.08077	23.5
113.09644	12.9
115.05407	1.3
117.07037	6.3
119.08581	17.0
120.37968	1.2
121.06485	3.4
121.10143	18.5
123.08077	7.6
123.11100	1.0
123.11729	9.6
125.09624	12.8
125.22118	1.1
129.07013	2.8
129.10689	1.2
131.08543	5.1
133.06465	1.9
133.10133	16.7
135.08029	3.3
135.11700	15.6
137.09604	7.2
137.13229	2.4
139.11186	7.3
143.08559	4.5
145.10155	5.8
147.10625	1.9
147.11691	21.1
149.09621	4.9
149.13258	12.0
151.11180	27.1
153.12718	3.0
157.10094	3.7
159.11679	3.5
161.09541	1.9
161.13243	15.8
163.11168	13.9
163.14771	5.1
165.12769	20.2
167.14281	2.0
171.11656	3.7
173.11873	1.2
173.13248	3.1
175.11188	3.3
175.14809	3.3
177.12769	1.9
179.14317	13.2
181.12201	2.2
185.13258	3.0
189.11189	9.1
189.12810	2.8
189.16354	1.6
193.12236	1.7
195.13821	2.3
199.14821	4.1
203.14301	2.0
203.91060	1.1
207.13799	3.2
208.91948	1.2
217.19484	1.5
218.22162	1.1
220.64113	1.2
221.15363	3.9
223.36395	1.2
231.21030	4.7
234.10306	1.3
235.07497	2.2
235.16930	2.0
241.19540	7.6
249.22185	6.0
259.20618	12.7
261.95187	1.1
265.12140	2.1
277.21625	100.0
278.21973	1.4
295.05948	6.8
295.09317	2.2
295.22656	48.1
299.44449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.4
53.40670	2.9
55.01871	18.0
55.05506	35.2
57.03416	3.0
57.07087	5.5
57.45652	2.6
65.03943	3.5
67.05495	74.4
69.03429	4.2
69.07062	44.7
69.88332	3.9
69.88747	12.0
71.04988	7.1
77.57397	2.6
79.05489	35.7
81.03422	5.8
81.07049	74.9
83.04980	8.7
83.08607	28.0
85.06521	4.7
87.49334	2.6
91.05484	26.8
93.07037	48.4
93.71006	2.7
93.97676	2.6
95.04958	7.6
95.08602	59.4
97.06496	17.1
97.10155	20.6
98.20807	3.9
99.08072	4.5
105.07030	20.8
107.08585	43.1
109.02930	3.2
109.06493	5.8
109.10141	32.3
111.08080	7.2
112.62450	2.5
117.07004	3.8
119.08582	19.1
121.10126	36.6
122.03646	4.5
123.04003	3.3
123.08054	6.4
123.11698	8.6
125.09644	10.8
129.07059	2.7
131.08566	9.9
133.10115	18.1
135.11667	24.6
137.05966	93.1
137.09613	4.5
137.13306	2.6
138.06302	81.4
139.11130	13.9
143.08597	3.4
145.10150	7.1
147.11673	24.7
149.09541	3.9
149.13248	16.3
151.11169	4.9
157.10133	7.0
159.11725	7.9
161.13264	8.6
163.11151	4.7
163.14786	4.6
165.12761	8.7
171.11612	3.7
173.13260	6.1
174.08598	2.6
175.11188	3.8
175.14842	6.4
185.13205	2.3
187.14906	3.2
189.11221	7.6
193.15962	2.7
203.12814	5.8
207.08014	3.7
207.17424	3.0
231.21019	5.6
235.07545	7.0
241.19615	5.8
249.21980	3.1
250.09766	7.2
259.20615	16.3
265.08783	4.9
265.12198	8.7
277.21619	100.0
295.05969	25.2
295.09088	4.8
295.22556	19.9
296.12732	6.1
296.16223	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	2.9
55.01865	5.1
55.05256	3.0
55.05505	42.0
57.03433	4.5
57.07061	5.3
67.05498	86.1
69.03397	3.0
69.06770	2.0
69.07066	23.3
69.51866	18.4
71.04977	4.7
71.08627	42.5
77.41797	1.7
79.05484	58.3
81.03410	7.9
81.07051	77.0
83.04975	12.5
83.08607	20.1
85.06512	6.7
91.05474	31.5
93.07036	72.0
95.04965	11.6
95.08598	46.2
97.05993	2.1
97.06507	13.0
97.10166	27.3
99.08092	34.0
103.17255	2.0
105.07016	21.4
107.04932	4.4
107.07858	2.8
107.08585	49.9
109.06493	4.3
109.10143	53.0
111.08102	2.3
113.09625	2.9
117.06983	5.2
118.91718	2.2
119.08575	18.1
121.10134	34.3
123.08051	3.7
123.11702	5.6
125.09643	16.0
125.34178	2.1
129.06996	3.3
131.08551	6.5
133.10109	15.6
135.08032	4.6
135.11681	47.4
137.09578	6.8
139.11206	2.6
143.08496	2.4
143.10500	2.0
145.10098	5.2
147.11649	7.5
149.13213	18.9
151.11200	17.8
153.09100	3.6
153.12671	2.2
159.11713	5.1
161.13223	12.5
163.11172	6.7
163.14850	4.7
165.12910	2.2
167.10660	3.8
173.11749	3.5
173.13225	4.3
177.12730	6.7
179.12715	5.0
179.14301	100.0
185.13176	3.7
189.11203	17.3
193.15880	2.3
195.13725	3.6
199.14705	2.2
221.15359	4.6
223.16676	2.9
235.16832	4.4
241.19490	3.8
247.80557	1.8
259.20697	9.4
265.12357	2.2
277.21597	93.4
295.06012	4.1
295.22757	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	295.2015
Annotation	Lycocernuine N-oxide
Peak:m/z	Relative Intensity
53.03932	0.5
55.01866	0.9
55.05507	1.9
56.96554	0.3
57.03436	0.4
58.06600	2.7
59.04980	1.3
60.04517	0.3
60.05641	0.8
67.05488	1.2
68.05013	1.4
69.03404	1.5
69.07053	0.8
69.46700	1.0
69.47128	2.4
70.04076	0.4
70.06580	4.8
71.04974	0.9
72.08149	10.7
73.08487	0.6
74.06081	0.4
79.05474	1.9
80.04994	0.6
81.07052	4.9
82.06560	1.1
83.04978	0.5
83.07349	0.4
84.04499	1.8
84.08146	2.1
85.02897	1.0
85.06498	0.4
86.06053	0.6
86.09708	2.9
88.07626	1.8
89.10769	0.7
91.05480	2.2
93.07023	1.5
94.06548	1.9
95.04952	1.6
95.08580	1.2
96.04466	1.5
96.08124	2.6
97.02872	1.6
97.06540	0.5
98.06043	2.3
98.09686	18.4
98.20720	0.5
98.97584	0.5
99.04449	0.4
99.09195	0.4
100.07605	1.0
103.05423	0.7
103.12227	0.4
105.07050	0.8
107.04929	1.6
107.08591	0.5
108.08118	1.7
109.02876	0.5
109.08858	1.8
109.10110	0.8
110.06027	0.5
110.07183	0.5
110.09672	0.8
112.07559	0.5
114.09136	1.3
114.10259	1.0
115.08656	0.4
116.98585	0.8
117.03436	0.3
119.04938	3.3
119.08566	0.5
120.08093	4.4
121.02866	0.6
121.06475	0.5
121.08379	0.4
121.10072	0.5
122.06013	0.6
122.09653	0.8
124.07597	3.7
124.11221	31.5
125.05944	0.7
126.05511	3.1
126.09233	0.4
127.03886	0.7
128.07063	1.1
129.05469	9.8
129.06941	0.4
129.10219	0.6
130.05008	0.6
130.08643	0.8
131.08502	0.5
131.12926	1.1
133.04875	0.5
133.06447	0.5
133.10115	0.8
134.99588	0.5
136.07593	1.8
137.05972	0.6
140.06992	0.4
145.02812	0.5
145.06442	0.6
146.05969	0.6
147.04395	11.8
148.04799	0.5
148.07545	0.4
148.11136	0.6
150.07831	0.7
150.09111	0.9
150.12766	21.5
151.03925	0.5
151.13034	0.4
152.07066	6.0
154.08719	0.8
157.10960	0.4
158.08115	1.0
161.05821	0.5
162.05522	0.5
162.09140	0.6
163.03865	2.2
166.08592	1.9
167.15459	0.6
169.09926	0.4
175.03946	0.6
176.10590	0.4
177.00664	0.4
177.05417	1.6
178.08647	0.5
186.05441	0.4
190.12296	0.5
192.10196	0.4
193.13297	0.7
200.26643	0.4
201.63824	0.4
207.06497	1.1
217.13260	0.4
218.11786	2.5
221.12790	1.0
232.13275	0.6
235.07675	0.6
235.14400	0.7
235.17938	0.4
247.14334	1.0
249.15930	0.7
250.10123	0.5
253.15457	36.4
254.15533	0.5
263.17529	9.6
265.08783	0.4
265.12228	1.0
265.15164	0.4
277.12027	0.7
277.15399	2.2
278.10114	0.8
295.16580	8.8
295.20123	100.0
295.65707	0.6
296.20935	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	295.1901
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03946	0.7
55.01860	5.4
55.05514	3.1
57.07063	1.9
67.05504	4.6
69.03403	0.8
69.07066	4.9
71.05018	0.7
71.08623	1.0
74.82246	0.6
79.05492	5.8
81.07053	29.0
82.07359	0.8
83.04975	1.9
83.08607	2.0
91.05470	3.1
93.07029	4.6
95.04929	0.9
95.08598	7.1
97.06518	1.6
97.10167	1.0
100.22650	0.6
105.07008	3.0
107.08592	4.0
109.06516	12.0
109.10120	3.1
111.04442	12.4
111.08071	1.4
119.08559	3.9
121.10139	2.7
123.08052	0.8
123.11714	1.9
125.06015	3.8
131.08569	2.0
133.06476	0.9
133.10118	3.2
135.08060	2.2
135.11694	3.3
137.05971	100.0
137.13290	2.0
138.06317	2.0
143.08589	1.3
145.10085	1.5
147.08029	1.0
147.11652	5.6
149.09622	3.2
149.13248	1.2
151.07541	2.7
157.10184	1.6
159.11703	0.9
161.09628	3.6
161.13295	2.0
163.11159	2.4
163.14862	0.9
165.09142	2.3
173.13356	1.1
175.11192	3.9
175.14877	1.4
177.09155	0.6
177.12932	0.7
179.10663	2.2
184.07341	1.6
189.12758	1.1
203.17918	4.9
213.16391	2.5
221.19046	1.4
230.24290	0.8
231.17416	8.2
234.10455	1.4
235.07570	1.9
249.18481	9.2
250.09929	2.6
265.08450	1.1
265.12234	4.1
277.17984	39.4
277.21124	1.4
278.18430	1.2
295.06003	4.0
295.18967	16.3
295.21826	1.2
296.16385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.05500	1.8
56.10122	0.3
56.96561	0.3
57.03405	0.3
61.02921	0.3
65.03931	0.3
67.05480	0.9
68.05016	0.4
69.03414	0.6
69.07059	0.8
69.31115	2.9
70.06583	0.6
71.04945	0.3
72.08133	0.8
79.05486	3.3
80.04991	0.4
81.03406	0.8
81.05794	3.2
81.07050	3.8
82.06546	0.4
83.04971	0.5
83.08636	0.4
84.08131	0.8
85.02898	0.6
85.06540	0.5
91.05466	0.9
93.07024	1.1
94.06562	1.0
95.04955	0.9
95.08592	1.4
96.08118	14.5
97.02882	0.4
97.06487	0.4
98.97577	0.6
99.04442	0.4
103.05450	0.8
105.07016	1.3
106.06535	2.1
107.04990	0.7
107.08546	0.7
108.08109	0.5
109.02891	1.3
109.06499	1.2
109.10140	0.7
111.08072	0.3
112.07587	3.4
119.04908	1.0
119.08565	0.6
121.02870	1.1
121.06497	0.3
121.10130	0.6
123.08070	0.5
123.11694	0.3
124.07579	100.0
125.07919	0.8
126.09122	1.0
127.03880	0.3
131.04904	0.4
131.08601	0.5
133.02818	0.5
133.06468	1.0
133.10109	0.6
135.08025	0.9
135.11684	0.3
136.07498	0.2
138.09123	0.5
145.06444	0.5
145.10162	0.3
147.04387	1.2
151.07498	0.6
151.11264	0.3
152.07095	0.8
154.08636	2.1
156.06601	0.4
159.11682	0.3
161.05968	0.4
163.03807	0.4
163.07510	1.6
166.69011	0.3
172.09666	3.9
177.01958	0.5
177.12958	0.3
195.02896	1.9
203.06911	0.4
206.70937	0.3
215.10646	0.3
223.14394	0.5
232.13319	0.8
249.07559	0.4
259.14392	3.1
260.12717	1.4
277.07025	0.3
277.15457	5.5
277.21628	0.3
295.06021	8.1
295.09476	0.5
295.10809	0.5
295.13522	0.5
295.16562	7.7
295.19992	0.7
296.06372	1.0
296.16797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56861	0.3
53.03935	0.5
55.05501	1.2
57.03433	0.4
61.02944	0.3
67.05502	0.4
68.05031	0.3
69.03436	0.7
69.07046	0.6
69.69656	1.9
70.06571	0.4
71.04964	0.4
72.08152	0.7
76.78171	0.3
77.33917	0.3
79.05479	3.8
80.05017	0.7
81.03407	1.2
81.05785	3.6
81.07041	2.9
82.06569	0.6
83.04976	0.3
84.08141	1.4
85.02879	0.5
86.09747	0.3
91.05470	0.8
93.07035	0.6
94.06551	0.9
95.04937	0.6
95.08561	0.5
96.08125	16.8
97.02854	0.5
97.06527	0.8
98.20652	0.3
98.97570	1.1
105.07020	0.7
106.06547	2.1
107.04928	0.9
107.08575	0.4
108.08116	0.6
109.02881	1.5
109.06510	1.0
110.06085	0.3
112.07609	4.0
116.98608	0.6
119.04942	1.4
119.08583	0.4
120.08096	0.5
121.02863	0.8
121.10134	0.6
123.08197	0.3
124.07584	100.0
125.07899	0.8
126.09168	1.2
133.02841	1.2
133.10118	0.4
134.99643	0.3
135.04393	0.3
137.02396	0.3
137.05981	0.5
138.09131	0.3
146.05977	0.4
147.04416	0.7
150.30273	0.3
151.03870	0.3
152.07025	0.4
154.08612	3.3
156.06561	0.8
159.11763	0.3
167.03360	0.4
167.07001	0.3
172.09680	3.8
177.00610	0.5
177.01959	0.5
179.07037	0.4
183.11586	0.3
186.54195	0.3
195.02921	2.5
207.06531	0.5
232.10620	0.4
232.13300	0.7
235.07486	0.3
235.14494	0.5
241.77269	0.3
249.07660	0.3
249.13106	0.6
259.14413	5.3
260.12784	1.6
265.08905	0.3
267.16910	0.4
273.99768	0.3
277.15442	9.0
278.11005	0.4
295.05899	7.5
295.11203	0.6
295.16522	7.0
296.06335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.01844	1.0
55.05486	0.9
56.96544	0.7
57.03402	0.5
65.03904	0.7
67.05474	1.0
69.03385	1.9
69.07036	1.1
70.06550	1.5
71.61880	0.5
72.08147	9.5
79.05459	1.2
81.03387	0.7
81.07036	0.8
83.04942	0.6
84.04478	0.7
84.08121	1.2
85.02898	2.0
86.09677	1.2
87.04411	0.6
89.03900	0.7
89.10333	0.4
89.10783	5.5
91.05475	16.6
93.06994	0.7
94.06516	0.8
95.04939	0.8
95.08559	1.2
97.02848	1.2
97.06484	0.6
97.58817	0.4
98.06016	1.3
98.09635	0.9
98.97541	1.3
103.05447	0.6
105.06990	1.5
107.04927	0.8
107.08559	1.3
109.02854	1.0
109.06524	0.6
109.10127	1.0
110.02370	0.6
110.05991	0.5
115.03867	0.8
115.05403	0.5
115.08649	1.6
116.98575	0.9
119.04932	30.4
119.08557	0.8
120.08071	0.9
121.02796	0.8
121.10114	0.8
122.06034	0.5
124.07561	0.7
127.03913	1.1
128.28302	0.5
131.04950	0.6
132.02031	0.8
133.04959	0.4
133.06491	0.9
134.08179	0.4
134.99586	0.5
135.04341	0.8
136.06146	2.4
136.07518	0.8
138.05429	0.5
145.06377	0.5
146.05998	1.6
147.04396	32.2
147.11647	0.6
149.02313	1.0
151.03914	0.6
152.07079	0.5
157.03935	2.0
159.11655	0.7
161.05922	1.1
162.04213	0.9
163.03931	1.1
164.04588	0.5
166.08557	0.5
172.77617	0.5
174.05478	1.1
174.09093	0.5
175.03894	52.1
176.04192	0.5
177.00696	0.7
179.07100	2.4
179.08418	0.5
180.59921	1.1
181.06543	0.4
207.06509	100.0
208.06905	1.0
211.05904	0.5
218.11729	1.6
235.07443	1.1
235.17938	0.5
237.02800	0.6
249.07520	0.8
259.14374	1.2
265.08612	0.7
265.12216	0.5
277.07013	1.0
277.12216	0.6
277.15488	2.3
278.13779	4.8
295.11118	1.5
295.16525	28.6
295.19962	2.7
296.12759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0593
Annotation	Euplectin
Peak:m/z	Relative Intensity
51.02381	0.1
52.18790	0.1
53.00291	0.1
53.03941	0.9
55.01865	0.5
63.02370	0.2
65.03929	0.5
67.01874	0.3
67.05504	0.1
69.07062	0.1
71.08666	0.1
71.62296	0.1
77.85696	0.1
79.01875	0.1
81.03409	5.9
81.07038	0.2
86.15096	0.1
86.16320	0.1
91.05468	1.9
93.03400	0.1
93.07025	0.1
95.08586	0.2
99.00777	0.4
105.03397	0.2
105.07015	0.1
107.04942	0.8
109.02866	10.9
110.03185	0.1
110.60168	0.1
111.04413	0.3
115.05437	0.2
117.03374	0.2
118.04182	0.1
119.04929	4.0
119.08642	0.1
120.48978	0.1
121.02852	6.8
122.03191	0.1
122.06036	0.1
123.00769	0.1
127.03900	0.2
128.06219	0.2
129.06984	0.2
131.01280	0.4
131.04916	0.1
131.26480	0.1
133.02821	0.1
133.10164	0.1
135.00720	0.3
139.03870	0.3
141.06975	0.3
143.08537	0.1
145.02824	0.2
145.06482	0.1
149.02332	0.4
150.05548	0.1
151.03905	0.1
152.06194	0.2
152.39259	0.1
153.06973	0.7
154.07706	0.1
155.08545	0.7
157.06482	0.6
159.04504	0.1
165.06984	2.4
166.07692	0.1
167.03418	0.9
167.04805	0.1
168.05632	0.3
169.06459	0.2
171.08006	0.1
176.06248	0.1
177.01813	5.1
178.02275	0.1
181.06413	0.4
182.07243	0.2
183.08025	1.0
185.05966	0.4
187.03822	0.1
191.03531	0.1
193.06351	0.3
194.07259	0.1
195.02869	21.7
196.03210	0.3
210.06680	0.1
211.07516	1.7
213.05492	0.3
218.04454	0.1
221.05832	0.4
239.07002	0.7
249.05405	0.2
267.06454	0.9
277.04788	0.5
277.21771	0.1
295.05969	100.0
296.06299	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	295.0599
Annotation	Euplectin
Peak:m/z	Relative Intensity
51.02384	0.2
53.03936	0.2
55.01855	0.7
55.05502	1.0
57.07049	0.6
59.04994	0.2
65.03932	0.5
67.05505	1.8
69.03405	0.6
69.07064	1.9
71.04980	0.5
71.08608	0.4
71.62448	0.2
72.08143	0.2
73.69693	0.2
79.05469	1.1
81.03405	0.8
81.07050	3.9
83.04974	0.4
83.08602	1.0
85.02933	0.2
85.06534	0.8
89.03875	0.2
91.05478	4.1
93.07021	1.5
95.04934	0.5
95.08600	3.0
97.02859	0.5
97.06512	0.4
97.10147	0.7
102.00294	0.2
104.94036	0.2
105.03345	0.3
105.07025	1.2
107.04943	0.5
107.08587	1.3
109.02839	0.4
109.06504	0.4
109.10160	2.1
111.08096	0.4
111.11694	0.3
113.09630	0.2
115.05404	0.2
119.04942	2.0
119.08588	1.0
121.02853	1.5
121.06495	0.4
121.10119	1.1
123.04449	0.2
123.08095	0.2
123.11694	1.1
125.09599	0.5
129.07007	0.3
131.08600	0.2
133.02840	0.9
133.10182	0.9
133.11055	0.2
134.03586	0.3
135.08031	0.2
135.11673	0.6
136.01535	0.3
141.06978	0.4
141.73070	0.2
143.08546	0.2
145.02805	2.0
145.03847	0.3
145.10104	0.5
146.05977	0.4
147.00766	0.3
147.04375	0.5
147.08005	0.3
147.11681	0.7
149.02354	1.7
149.09572	0.3
149.13232	0.6
151.03880	0.4
153.06975	0.6
155.08516	1.6
157.10042	0.2
159.04407	0.4
159.11688	0.4
161.02344	0.7
161.13231	0.4
163.03853	0.3
163.11180	0.3
163.14862	0.4
165.06993	3.9
165.12886	0.2
167.03419	1.1
167.08522	0.2
168.05724	0.4
171.04324	0.2
173.00934	0.2
173.02345	3.4
174.02972	0.2
174.05507	0.2
177.01826	11.0
177.06950	0.2
183.08029	3.6
189.01833	2.1
193.06450	1.5
195.08064	0.4
197.05972	0.4
199.14667	0.2
202.02574	0.5
210.06651	0.2
211.07506	3.5
221.05949	3.8
221.07948	0.3
225.05377	0.2
234.06773	0.2
236.57141	0.2
239.07018	8.5
240.07394	0.3
249.05481	1.6
251.07068	0.2
252.04181	0.8
259.13412	0.2
259.20435	0.2
259.24268	0.4
266.05673	0.3
267.06506	9.0
268.06824	0.4
277.04941	3.6
277.18362	0.2
277.21582	1.0
277.24924	0.3
294.05002	0.2
295.05994	100.0
296.06342	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	294.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05502	0.3
57.03409	0.2
57.07066	1.0
67.05497	0.7
68.05836	0.3
69.07062	0.5
71.08629	1.3
71.13768	0.6
79.05470	1.0
81.07057	1.3
83.08610	0.4
90.62679	0.2
91.05495	0.7
92.05803	0.3
93.07056	0.7
94.04198	1.7
94.07372	0.5
95.04942	0.4
95.08595	0.7
97.06532	0.3
105.07011	0.4
106.07353	0.4
107.08572	0.6
108.08925	0.5
109.06527	0.5
111.32805	0.2
119.08580	0.5
122.03642	5.1
122.04464	0.5
133.10077	0.3
134.10484	0.3
137.05971	100.0
138.06308	1.8
141.12747	2.2
158.15416	1.7
170.15457	0.6
182.29652	0.2
187.07574	0.3
203.36775	0.2
243.58221	0.3
276.20419	2.0
277.21524	0.3
294.11203	0.3
294.21106	1.0
295.06161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
55.01855	0.3
55.05502	0.7
57.07063	0.4
67.05492	1.7
69.07055	0.7
70.04999	0.4
70.05413	0.9
70.62101	0.2
71.08626	0.4
79.05497	1.2
80.05811	0.3
81.03431	0.2
81.07047	3.0
82.07374	0.4
83.08604	0.3
86.09679	0.3
91.05481	1.2
93.07025	1.0
94.04185	1.7
94.07383	0.5
95.04960	0.4
95.08591	1.1
97.06546	0.5
97.10155	0.5
98.20808	0.3
105.07026	0.7
107.04901	0.3
107.08562	0.5
108.08931	0.4
109.06476	0.5
109.10123	0.2
114.12187	0.2
119.08574	0.6
121.10140	0.4
122.03635	5.8
123.11682	1.8
131.08537	0.2
133.10110	0.4
135.11694	0.3
137.05965	100.0
138.06300	1.5
139.11148	0.4
139.82080	0.2
147.11681	0.4
149.13190	0.3
158.15404	1.5
170.15398	2.5
184.07379	0.7
276.20422	1.1
277.21643	1.0
294.21136	1.0
295.05621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	2.1
55.01877	4.3
55.05253	1.3
55.05505	14.7
56.96555	1.1
57.03412	3.3
57.07057	3.1
57.62572	0.7
65.03923	1.2
67.05499	24.1
69.03401	2.2
69.07063	20.6
69.43330	1.5
69.43742	6.8
71.04966	3.2
79.05482	18.5
81.03410	2.0
81.07051	30.5
83.04965	8.4
83.08607	5.1
85.02886	3.4
85.06524	1.8
88.17421	0.8
89.59321	0.7
91.05465	19.1
93.07034	23.4
95.04964	8.6
95.08597	21.0
97.06529	4.2
97.10151	2.4
99.08094	0.8
105.07019	21.9
107.04912	6.6
107.08593	16.2
109.06497	10.1
109.10149	10.7
111.04380	0.9
111.08049	2.1
117.07031	5.7
119.08559	12.6
121.06503	8.2
121.10114	8.2
121.28674	0.8
123.08032	5.4
123.11681	2.9
125.09624	2.2
129.06976	2.1
131.04884	2.2
131.08549	11.2
133.06445	2.0
133.10104	14.3
135.08040	4.2
135.11690	4.1
137.06047	1.0
137.09596	2.3
141.07024	1.0
143.08521	1.4
145.06505	1.2
145.10103	9.4
147.08037	2.8
147.11678	9.4
149.09618	4.8
149.13232	1.7
151.11176	5.5
155.08510	1.8
157.10092	2.7
159.08043	1.6
159.11685	6.2
161.09608	2.7
161.13205	2.9
163.11119	4.6
163.14803	1.0
169.10062	1.0
171.11711	1.9
173.09703	1.9
173.13246	4.1
175.11185	3.1
175.14735	1.9
177.12729	2.8
179.14304	1.1
183.11617	1.8
185.13223	1.1
187.14835	1.6
189.12643	1.4
191.14304	2.5
197.13159	1.8
199.14726	1.0
201.12744	2.7
207.13779	1.6
213.16328	1.3
215.14232	1.8
215.17949	1.5
219.13797	3.8
221.15456	1.0
225.14954	0.9
229.19473	1.9
231.17374	1.4
233.18993	1.2
236.33018	0.8
237.14798	1.5
239.17952	2.5
247.20506	3.2
257.18985	11.9
275.20041	100.0
276.20316	1.8
293.04660	1.4
293.21088	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	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03941	0.9
53.44996	0.5
55.01871	0.6
55.05504	7.8
57.07088	2.6
59.04983	0.7
65.03939	2.5
67.05501	92.1
69.03436	1.0
69.07061	9.8
69.88811	3.4
70.53253	0.6
79.05487	13.0
81.07051	100.0
83.04966	0.9
83.08619	5.6
85.06540	1.5
90.41335	0.5
91.05466	5.2
93.07038	11.5
95.04979	1.3
95.08601	76.1
96.08966	0.6
97.06528	2.5
97.10142	3.1
99.08083	1.0
100.07704	0.5
101.05986	0.9
105.07012	5.0
107.08586	9.9
109.06528	1.5
109.10149	38.3
111.08093	1.2
111.11734	1.0
115.07574	0.8
117.07037	1.5
119.08540	3.4
121.10143	8.2
122.37923	0.5
123.08083	2.3
123.11703	21.4
125.09605	0.7
131.08569	5.4
133.10114	3.6
133.47003	0.5
135.08133	0.8
135.11688	4.8
137.09624	1.7
137.13249	7.7
139.11186	0.7
145.10094	4.4
147.11679	2.5
149.09624	1.3
149.13228	3.9
151.11176	1.2
151.14796	2.6
154.15587	0.5
159.11699	3.3
161.13260	2.2
161.89006	0.6
163.11203	1.6
163.14822	2.4
165.12721	1.4
173.13251	4.8
177.12756	1.8
177.16405	2.1
179.14279	1.9
187.14854	3.3
191.14351	0.7
193.15913	0.5
201.16483	0.8
205.15796	0.8
209.15350	1.1
223.16869	0.7
233.22687	0.6
237.18501	1.2
243.21068	5.9
261.22107	6.0
293.09882	1.7
293.24719	25.2
293.28036	1.3
294.07510	1.9
294.11121	4.4
294.25092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	3.5
55.01863	16.3
55.05511	31.4
55.51720	3.2
57.03435	4.5
57.07080	19.5
67.05498	58.9
69.03406	4.5
69.07066	26.0
69.39224	35.4
70.30762	3.6
71.04984	9.6
71.08576	3.6
79.05502	34.2
81.03403	16.9
81.07047	64.5
83.04968	10.0
83.08607	17.3
85.06527	10.0
91.05470	44.2
93.07037	40.5
95.04966	24.2
95.08598	46.0
97.06501	10.1
97.10134	7.7
98.20715	7.4
99.08083	5.5
105.07021	40.1
107.04958	18.6
107.08584	36.6
109.06495	17.1
109.10157	27.0
111.04427	11.4
111.08063	6.8
115.05433	4.1
117.07010	13.6
119.08575	41.3
121.06517	10.1
121.10131	16.8
123.08069	23.0
123.11710	4.0
125.09607	6.0
130.65326	3.8
131.08556	18.2
133.06476	3.4
133.10123	30.1
135.08055	8.9
135.11662	14.8
137.09610	35.0
141.68750	3.4
145.10114	16.1
147.11671	15.6
149.09610	17.8
149.13242	8.1
151.11142	14.1
153.12851	3.9
157.10062	6.2
159.11700	10.9
161.09572	3.5
161.13240	7.4
163.11163	9.0
165.09097	11.1
167.10675	3.3
171.11670	5.3
173.13240	7.1
175.11279	3.5
177.12691	6.9
181.50797	3.4
187.14813	5.4
208.43904	3.2
209.05919	3.8
209.11710	6.8
219.08038	4.0
229.19427	5.1
233.15346	6.3
237.11198	16.6
239.17885	7.2
247.07692	7.1
247.20514	10.6
257.18985	10.4
275.20047	100.0
293.21130	71.0
293.24530	3.1
313.27081	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.23334	0.8
53.03935	0.9
55.01858	1.1
55.05508	6.1
57.03430	13.5
57.07065	2.1
62.58165	0.8
67.05499	15.0
69.07069	5.3
70.66257	1.7
70.66615	3.2
71.04993	1.2
73.06545	1.1
79.05482	15.6
81.03435	1.2
81.07050	19.2
82.41891	1.0
82.53266	0.9
83.04974	1.7
83.08596	2.9
85.06534	3.5
91.05468	16.6
93.07035	19.1
94.70689	0.8
95.04958	3.6
95.08591	13.9
99.04461	4.3
105.07016	14.6
106.17730	0.8
107.04951	2.4
107.08587	11.7
109.06496	6.1
109.10149	5.4
111.04456	1.0
111.08088	1.5
112.21964	0.9
117.06995	8.1
119.08565	12.0
121.06467	1.4
121.10139	7.4
123.08076	2.2
123.11759	1.3
129.06993	3.7
131.08548	11.2
133.10126	9.2
135.08025	1.3
135.11703	4.3
137.09598	3.8
143.08553	2.2
145.10095	6.7
147.11664	3.2
149.09624	2.9
149.13237	1.5
153.12704	1.7
159.11707	4.7
161.13287	2.5
173.13185	1.7
175.14839	1.5
181.04956	1.4
185.13274	2.6
201.16325	4.1
203.14337	4.0
209.11693	1.5
209.15474	1.9
219.17422	100.0
220.17784	3.0
221.15358	1.5
234.02722	1.0
236.74957	1.0
237.11229	2.7
239.18082	1.2
250.18958	0.9
257.18988	3.2
275.20023	18.2
293.03131	1.5
293.20929	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	22.3
55.01864	16.8
55.05511	17.3
57.42309	3.9
67.05504	58.7
69.03426	5.0
69.07063	42.5
70.09776	18.2
71.04993	5.0
73.97678	3.9
79.05478	39.1
81.03410	48.7
81.07049	75.7
83.04986	12.3
83.08627	6.5
91.05475	59.5
93.07034	44.4
95.01324	7.6
95.04942	23.2
95.08597	43.2
97.06522	25.5
97.10114	5.1
105.07021	94.4
107.04946	32.3
107.08595	25.0
109.06533	9.0
109.10146	9.4
111.38451	3.4
117.07009	21.0
119.08559	42.1
121.06488	8.1
121.10130	11.6
123.08050	14.6
125.09579	5.3
129.06920	4.9
131.08551	20.8
133.10112	56.8
135.08066	4.2
135.11662	17.5
141.06982	5.3
143.08530	4.6
145.06467	8.8
145.10138	23.9
147.11665	23.6
149.09599	7.0
149.13132	5.7
151.11147	6.3
159.08096	3.6
159.11687	17.2
163.11125	3.9
169.10153	5.4
171.11636	5.3
173.13261	5.8
177.12772	11.0
179.14317	19.7
187.11150	12.3
195.13768	5.2
197.13202	3.4
205.12360	4.1
229.19502	5.3
237.16989	3.5
241.14366	5.3
257.18967	11.2
259.16769	3.7
275.20041	100.0
276.20432	4.9
293.21085	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.22384	2.2
51.99329	2.1
53.03947	3.7
55.01870	13.1
55.05259	4.2
55.05507	56.8
57.03429	3.1
67.05496	37.1
67.32866	2.6
69.03399	4.1
69.07047	9.8
69.47208	23.6
71.04997	3.9
79.05484	75.7
81.07039	31.7
83.04973	17.8
83.08601	16.2
91.05479	29.6
93.07042	38.3
95.04947	10.2
95.08585	11.3
97.06506	13.5
97.10161	25.2
101.95042	2.5
105.07032	33.2
107.04947	39.6
107.08584	63.9
109.10143	21.7
111.08081	4.0
115.44196	2.6
117.06992	13.2
119.08583	21.3
121.06480	3.8
121.10130	20.9
123.11718	6.2
125.09616	27.4
131.08546	15.7
133.10129	23.8
135.08052	10.9
135.11652	3.5
139.01981	2.9
145.10086	9.7
147.11685	15.5
149.09605	71.5
153.09109	5.9
159.11694	9.1
161.13193	5.9
163.14824	3.2
169.12196	7.8
171.10251	2.8
173.11719	5.7
173.13217	5.9
173.88576	2.7
187.11069	2.7
187.14854	3.0
189.11189	26.7
209.15318	8.2
229.19490	8.4
239.17906	3.2
247.20630	5.3
257.19000	22.3
275.20062	100.0
276.20438	3.8
293.21072	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.92071	1.8
53.03938	4.8
55.01872	7.4
55.05506	21.8
57.03431	5.8
57.47883	1.8
62.60282	2.0
65.03951	2.3
67.05502	46.3
69.03423	3.4
69.07065	23.2
70.04057	7.8
71.04996	5.8
79.05489	47.4
81.03423	6.4
81.07053	100.0
83.04989	7.5
83.08610	14.2
85.02929	1.7
85.06543	5.1
91.05476	33.5
93.07034	31.2
95.04960	17.7
95.08604	32.7
97.06534	7.6
97.10197	5.7
105.07024	40.3
107.04973	6.7
107.08592	28.6
109.06501	27.4
109.10150	15.5
109.91257	1.9
111.08092	5.7
115.92588	1.8
117.07018	12.6
117.33628	2.1
119.08575	38.6
121.06477	5.5
121.10141	18.6
123.08064	13.1
123.11707	6.7
125.09684	2.7
127.11097	1.9
129.07042	3.0
131.08571	16.0
133.06569	1.6
133.10130	23.0
135.08076	7.3
135.11681	10.0
137.05959	4.1
137.09607	9.6
143.08531	2.8
145.10124	13.7
146.34613	1.6
147.08081	2.4
147.11659	20.6
147.94537	1.7
149.09581	12.5
149.13249	4.9
151.11194	4.9
155.08566	2.5
157.10156	6.0
159.11665	10.8
161.13306	6.3
163.11131	8.5
163.14856	2.0
165.12772	4.1
171.11659	2.8
173.13272	5.5
175.11215	5.3
177.12785	3.7
183.11681	2.8
185.13315	2.4
187.11075	2.7
187.14854	2.3
193.12277	2.8
197.13258	2.4
201.16426	2.3
218.36273	1.9
219.17445	2.8
221.15497	2.2
223.13255	3.4
229.19543	3.1
235.16997	1.7
239.17976	6.3
247.20581	8.1
257.18997	12.2
275.20044	90.6
276.20471	2.0
293.21103	46.1
294.21387	2.7
308.56567	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03934	5.0
54.46109	1.5
55.01869	5.1
55.05300	1.4
55.05506	17.0
57.03426	5.6
57.07057	5.6
64.73114	1.7
65.03919	1.6
67.05498	30.0
69.03411	2.0
69.07061	18.0
70.76227	5.5
71.04980	4.8
72.08138	1.8
79.05047	2.9
79.05485	35.6
81.03412	4.7
81.07050	100.0
83.04969	5.3
83.08616	11.8
85.02888	4.5
85.06523	3.9
91.05479	25.0
93.07034	22.4
95.04956	12.1
95.08598	21.7
97.06519	7.4
97.10167	2.9
99.08102	2.2
101.39791	1.4
105.07024	23.2
106.28652	1.7
107.04918	7.6
107.08583	17.2
109.06510	46.1
109.10155	10.4
111.08045	4.7
117.07002	6.1
119.08560	18.6
120.67686	1.7
121.06506	4.2
121.10125	13.7
123.08055	5.8
123.11695	6.4
125.09592	3.6
129.06970	1.5
131.08554	12.5
131.12962	1.6
133.10107	16.9
135.08063	3.0
135.11668	7.1
137.09572	6.2
143.08463	2.5
145.10118	11.2
147.08040	2.2
147.11688	15.0
149.09590	7.1
149.13254	6.8
151.11147	3.9
157.10109	4.3
159.11693	6.3
161.13242	3.5
163.03897	6.3
163.11243	8.5
163.14742	2.2
165.12769	5.2
173.09637	3.1
173.13287	4.2
175.11157	4.4
177.12654	2.0
187.11124	1.9
187.15031	1.5
189.12726	2.1
191.03566	1.6
193.12244	3.5
209.09895	1.7
213.93311	1.5
215.14348	2.0
215.17941	2.0
216.22951	1.5
219.13789	2.7
223.13376	1.8
229.19455	4.4
239.18005	3.2
247.20551	6.7
257.19034	6.5
268.49942	1.5
275.20032	63.1
276.13229	1.9
276.20422	2.9
293.04456	3.8
293.15973	3.2
293.17654	2.5
293.21057	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.50768	2.0
53.03931	3.5
55.01862	7.0
55.05513	16.1
57.03429	24.0
67.05500	25.2
69.03420	3.7
69.07047	13.6
71.04977	2.6
71.17744	3.9
75.09982	2.1
79.05053	2.9
79.05489	39.3
81.07056	34.4
83.04974	3.1
83.08585	10.2
85.06516	8.5
88.42918	1.8
91.05479	35.7
93.07042	52.2
93.68367	2.0
95.04955	6.6
95.08597	27.7
97.06528	8.5
97.10153	7.2
99.42319	1.7
105.07021	40.3
107.08584	31.3
109.06501	6.8
109.10148	8.7
113.06003	1.8
113.18288	2.1
117.07008	9.8
119.08575	31.7
121.06483	4.5
121.10110	12.1
123.08029	4.8
125.09595	6.8
128.06207	2.6
129.07004	6.3
131.08560	18.8
133.06519	2.7
133.10124	20.7
135.08061	4.1
135.11671	6.7
137.09581	4.5
143.08548	7.6
145.10123	15.5
147.08078	2.0
147.11658	17.5
149.09602	9.3
151.11162	2.8
157.10118	5.2
159.11670	16.1
161.13249	6.3
163.11203	5.5
169.10138	2.0
173.13245	8.5
175.14809	2.5
177.12851	2.8
183.11737	3.2
183.83673	1.9
185.13245	19.8
189.11244	4.5
191.14207	2.3
197.13258	2.3
201.12793	3.3
201.16348	5.5
203.14293	20.6
219.17438	37.6
221.15332	25.6
239.17941	6.4
257.18979	20.3
275.20041	100.0
276.20395	2.4
293.16425	2.1
293.17972	2.5
293.20969	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	293.2107
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03931	1.8
55.01871	1.8
55.05509	10.3
57.03435	1.3
57.07069	1.9
61.46610	1.0
67.05502	17.0
67.51956	1.1
69.07070	15.1
69.24985	0.9
70.87373	1.7
70.87707	2.1
71.04964	1.4
79.05492	10.5
80.38670	0.9
81.07055	20.5
83.04987	6.3
83.08603	3.7
85.06518	1.4
88.53116	1.1
91.05478	12.7
93.07036	17.1
95.04962	5.2
95.08606	13.5
97.06505	1.9
97.10185	1.4
105.07028	16.2
107.04967	5.0
107.08577	9.7
109.06526	7.1
109.10151	6.2
111.08062	1.5
117.06994	5.1
119.08573	10.5
121.06492	8.2
121.10141	5.8
123.08058	3.5
123.11681	2.8
125.09583	1.3
128.71315	0.9
129.07030	1.1
131.08556	9.7
133.06499	2.3
133.10127	14.0
135.08025	2.7
135.11662	4.1
137.09618	1.9
145.10103	8.7
147.08011	2.5
147.11681	9.3
149.09593	3.1
151.11195	8.0
157.10147	2.9
159.08047	1.6
159.11641	5.5
161.09624	2.1
161.13148	1.9
163.11203	2.6
169.10292	1.0
171.11678	1.9
173.09639	2.1
173.13268	2.5
175.11209	2.1
175.14748	1.2
177.12778	1.5
183.11722	1.2
187.11166	1.3
187.14664	1.1
191.14249	2.4
201.12697	2.2
201.16371	1.1
207.13869	1.8
219.13809	2.7
229.19466	1.3
239.18048	2.2
247.20644	3.3
257.18988	11.6
258.19064	1.2
275.20041	100.0
276.20377	3.9
293.21100	32.2
294.21536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	3.5
55.01865	10.3
55.05508	19.1
56.96548	1.8
57.03438	4.5
57.07076	4.2
57.51430	1.3
59.05007	1.8
60.17812	1.4
67.05501	37.2
69.03433	6.7
69.07069	19.2
69.65384	4.1
69.65814	7.2
70.80472	1.4
71.04981	7.1
71.08631	3.2
72.08146	6.3
79.05486	34.0
81.03434	7.6
81.07049	73.5
83.04971	10.0
83.08625	13.8
84.97599	1.6
85.02897	15.7
85.06541	4.5
91.05476	31.3
93.07033	31.5
94.72792	1.5
95.01341	1.4
95.04968	15.4
95.08599	33.6
97.02895	4.7
97.06524	17.9
97.09631	1.6
97.10160	9.3
99.08041	1.7
103.05493	2.6
105.07024	33.3
105.07670	2.7
105.87177	1.7
107.04946	10.1
107.08582	28.3
109.02868	4.5
109.06506	18.3
109.10145	23.0
111.04439	3.3
111.08098	4.6
114.10278	4.7
117.07008	9.6
119.08578	22.7
121.02881	4.1
121.06496	6.2
121.10140	17.1
123.08037	7.5
123.11715	9.4
125.09599	5.5
127.03894	3.3
129.07004	4.0
131.04938	3.6
131.08557	14.3
133.06454	1.7
133.10146	20.1
135.04453	2.4
135.08054	6.2
135.11673	9.5
137.06010	2.0
137.09593	8.5
138.95166	1.5
139.07530	1.5
139.11163	2.4
141.06923	2.3
143.08572	3.0
145.02829	2.7
145.04974	3.5
145.10129	16.3
147.04387	3.2
147.08046	2.3
147.11674	17.8
148.04723	2.4
149.09610	13.7
149.13274	4.1
151.07523	2.9
151.11188	6.9
153.09151	1.6
157.10129	4.3
159.08014	1.8
159.11696	10.0
161.09657	2.6
161.13269	6.3
163.03911	12.4
163.11186	13.0
163.14781	2.5
165.09137	3.6
165.12724	3.8
167.07056	1.8
171.10205	1.5
171.11635	4.1
173.13231	7.7
175.07515	2.6
175.11165	3.3
175.14827	2.4
177.05405	1.7
177.12770	3.9
179.14354	1.7
187.11195	3.1
187.14801	3.3
188.62801	1.5
189.11234	2.4
189.12698	1.6
197.13268	4.0
201.12863	1.5
211.14825	2.1
212.93166	2.2
215.14343	2.2
219.08183	1.9
223.13228	1.6
229.19537	4.9
233.15454	2.4
239.17928	8.9
247.20619	5.4
257.19049	13.3
258.19260	1.7
261.09225	2.2
263.61725	1.8
275.20047	100.0
276.20294	2.9
292.67307	2.3
293.07962	4.0
293.16034	10.3
293.21063	35.3
293.24588	3.2
294.09943	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03933	2.2
55.01857	1.7
55.05509	10.1
57.03428	1.7
57.07063	2.3
59.04983	0.9
60.16120	0.7
65.03928	1.0
67.05499	25.0
69.03421	2.6
69.07062	8.9
71.04994	3.8
71.08625	0.9
71.61793	1.2
79.05489	41.7
81.03407	1.5
81.07054	26.3
83.04971	4.0
83.08610	4.9
85.02904	4.6
85.06506	1.5
87.04468	4.5
91.05471	19.1
93.07037	55.4
95.04972	8.5
95.08597	20.2
97.06527	2.6
97.10143	1.7
99.08069	1.1
101.05997	1.9
105.04411	0.7
105.07018	12.9
107.04932	2.8
107.08589	32.0
109.06483	2.8
109.10146	9.1
110.67606	0.8
111.04440	1.7
111.08061	1.4
115.03925	2.6
117.07021	4.6
119.08549	9.8
121.06488	3.3
121.10130	26.5
123.08072	1.8
123.11689	3.3
125.09576	1.7
129.05522	1.5
129.07047	0.8
131.08571	6.1
132.40277	0.8
133.06468	0.8
133.10106	8.1
134.50014	0.9
135.08017	1.3
135.11679	28.3
135.65623	0.8
137.09668	1.3
141.07031	0.8
145.10127	7.0
147.08038	0.8
147.11702	6.4
149.09604	1.7
149.13243	15.3
151.11092	0.9
159.08093	0.8
159.11687	5.3
161.13237	2.3
163.03949	1.2
163.11166	1.3
163.14857	3.6
173.13228	4.7
175.14851	1.0
176.07088	1.9
177.12737	1.5
187.14784	1.9
201.16379	2.6
219.17406	1.1
223.13228	1.0
229.19516	2.4
233.15506	0.9
237.14949	1.6
239.18080	1.1
247.20557	2.5
251.16379	1.6
257.19061	1.4
275.16757	1.2
275.20041	9.9
293.04385	2.1
293.21078	100.0
294.21442	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	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03933	4.9
55.01872	1.9
55.05306	1.3
55.05510	14.4
57.07063	2.8
60.99856	1.2
65.03922	2.2
66.76680	1.2
67.05166	2.2
67.05504	35.4
69.03407	3.8
69.07063	9.1
70.56087	2.7
70.56491	2.5
71.04983	1.4
71.89434	1.1
77.03945	1.1
79.05489	77.6
81.07054	37.5
83.04977	3.3
83.08604	6.8
85.06525	1.7
87.04457	7.7
91.05477	27.6
93.07042	100.0
94.07372	2.3
95.04957	8.9
95.08604	25.8
97.06519	5.3
97.10159	3.9
101.05996	2.9
105.07028	20.1
107.04930	1.5
107.08588	54.8
109.06500	2.3
109.10162	14.7
111.08076	2.2
115.03931	5.2
117.07012	5.0
118.57987	1.2
118.98141	1.1
119.08553	12.5
121.10137	44.4
123.11693	3.2
125.09623	2.5
129.05463	1.7
131.08582	10.0
133.10136	13.2
135.11682	53.4
137.05998	1.4
137.09653	1.5
141.05475	1.2
145.10103	8.7
145.98413	1.1
147.11668	8.3
149.09610	4.4
149.13257	21.6
152.46101	1.3
159.11720	8.8
161.13243	2.7
163.11134	1.4
163.14786	5.7
173.13237	8.8
175.14774	1.7
183.10219	1.4
187.14781	3.2
189.11206	3.3
201.16328	2.7
225.14685	1.3
229.19626	1.4
237.14827	2.1
247.20615	4.1
251.16344	3.2
252.11797	1.2
257.19003	2.5
275.20056	17.1
279.80734	1.5
293.21097	97.9
294.21527	3.6
305.27188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	3.9
53.50336	1.9
55.01868	12.3
55.05509	14.2
57.03434	17.5
67.05493	21.9
69.07065	14.6
69.32530	24.3
79.05490	41.8
79.81103	1.9
81.03415	4.3
81.07047	34.6
83.04967	2.9
83.08615	12.9
85.06527	4.6
91.05474	30.1
92.97232	2.2
93.07038	54.7
95.04950	9.8
95.08596	19.7
97.06534	12.7
97.10154	6.9
98.00842	2.5
98.20776	4.1
105.07017	38.7
107.08586	48.0
107.36582	2.1
109.06509	9.5
109.10134	5.5
111.08099	2.7
116.27673	2.2
117.07029	11.7
119.08572	25.5
121.06516	5.1
121.10167	15.3
123.08074	5.7
125.09616	7.4
129.06993	6.4
131.08559	17.8
133.10110	23.6
135.08011	2.2
135.11664	5.2
143.08501	5.2
145.10097	15.7
147.11684	17.4
149.09584	9.4
151.11154	4.6
157.10104	4.7
159.11665	15.1
161.13278	10.5
163.11121	5.3
169.10162	2.5
173.13283	5.4
175.11176	4.9
175.14789	2.6
183.11699	3.2
185.13275	21.2
187.11067	3.1
189.11269	5.3
197.13318	3.1
201.16347	4.9
203.14288	12.7
219.17461	28.9
221.15402	21.1
228.71584	2.6
239.17941	8.6
247.20572	2.8
257.19012	16.3
275.20047	100.0
276.20450	5.4
293.21127	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	8.4
53.04160	1.8
55.01874	10.4
55.05507	26.7
56.96550	2.6
57.03415	6.9
57.07063	3.1
57.40311	1.7
62.47529	1.8
65.03922	3.4
67.05167	2.7
67.05496	37.5
69.03401	4.1
69.06728	2.0
69.07069	31.1
70.78482	2.3
70.78823	4.1
71.04960	5.7
79.05057	3.5
79.05488	54.7
81.03420	21.0
81.07052	53.0
83.04977	9.6
83.08610	11.8
85.02895	9.3
85.06529	5.2
86.45967	1.7
87.04450	1.9
91.05476	38.3
93.07034	51.9
95.01308	2.0
95.04976	17.8
95.08606	31.9
97.06532	12.6
97.10165	10.9
99.08047	3.3
101.05977	2.7
105.07027	44.2
107.04958	11.4
107.08587	73.3
109.06488	6.2
109.10159	13.0
111.04382	3.3
113.06003	1.6
117.06984	10.0
119.08575	24.4
121.06480	5.1
121.10143	17.2
123.08039	10.9
123.11699	5.6
125.09617	11.0
129.06956	4.8
131.04980	2.2
131.08553	16.7
133.06477	2.6
133.10130	24.0
135.08043	5.0
135.11688	14.1
141.06923	2.4
143.08533	5.2
145.06448	2.0
145.10124	18.1
147.08044	3.2
147.11667	15.1
149.09627	13.2
149.13223	5.1
151.11159	5.7
157.10048	3.1
159.08061	2.5
159.11697	15.3
161.13246	9.2
163.11154	7.0
169.10155	2.8
171.11667	4.1
173.13252	8.1
176.07043	3.9
177.12666	2.9
179.14297	7.7
183.11732	3.0
185.13297	6.1
187.11208	2.5
189.11162	10.7
189.12656	2.3
197.13252	2.4
203.14246	6.4
205.12357	2.0
209.54158	1.9
219.17371	9.8
221.15292	7.5
229.19527	2.6
233.15308	2.3
237.11116	5.0
239.17934	5.8
257.19016	10.5
275.20056	100.0
275.23099	4.8
275.61377	3.4
276.20401	1.9
293.04254	2.8
293.21060	78.9
293.27817	5.0
294.04999	2.0
294.21375	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	3.9
55.01625	1.5
55.01868	19.1
55.05263	1.5
55.05508	23.2
57.03416	2.7
57.07050	1.1
65.03942	1.2
67.05502	24.7
69.07059	13.9
69.71228	8.1
71.04975	3.5
72.97270	1.1
79.05487	41.6
81.03414	4.0
81.07055	26.8
83.04968	6.8
83.08609	12.8
85.02893	4.6
85.06548	1.7
90.98521	1.1
91.05478	21.8
93.06461	1.9
93.07040	23.7
95.04961	8.2
95.08609	16.9
97.06528	25.0
97.10156	17.5
105.06374	2.2
105.07025	31.3
106.49328	1.2
107.04954	8.1
107.08589	88.4
108.08914	1.3
109.06508	8.0
109.10134	8.2
111.04411	1.5
111.08063	2.5
117.07005	7.7
119.08573	17.4
121.06455	1.6
121.10157	9.8
123.08082	3.3
123.11729	2.8
125.09628	15.2
129.05449	2.4
129.06953	3.1
131.08545	9.5
133.10123	21.1
135.08037	3.7
135.11667	6.4
137.09622	3.7
143.08560	1.4
145.10103	11.8
147.11691	12.6
149.09613	15.0
149.13293	1.4
151.11134	4.1
155.08600	1.4
157.10098	2.3
159.11697	10.4
161.09698	1.4
161.13258	4.3
162.24591	1.2
163.11176	3.5
165.09125	3.3
169.10197	1.8
171.11592	1.8
173.11765	2.0
173.13245	4.6
175.11244	1.6
177.12749	1.9
179.14302	2.2
181.12175	1.4
183.11752	1.3
187.11189	2.0
187.14755	1.4
189.11203	14.0
209.15422	1.2
212.01390	1.2
229.19429	3.9
239.17926	5.6
247.20560	5.0
252.24329	1.2
257.18994	13.2
275.20050	100.0
276.20355	2.7
293.04282	2.0
293.21042	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03957	4.4
53.72266	2.6
55.01862	14.4
55.05504	30.4
56.05854	2.7
56.96564	2.4
57.03429	4.7
57.07075	6.3
60.76096	2.2
62.29295	2.3
67.05169	3.4
67.05499	40.7
67.41013	2.4
69.03435	4.2
69.07066	25.2
70.42715	8.8
71.05003	4.2
72.08150	5.8
79.05486	41.6
81.03410	6.3
81.07055	51.7
83.04990	14.0
83.08631	14.4
85.02897	5.5
85.06546	8.2
87.50502	2.4
91.05471	37.3
93.07047	34.9
95.04994	12.8
95.08607	35.9
97.06530	15.9
97.10167	11.7
98.20698	2.7
101.06041	2.5
105.07021	34.5
107.04942	7.7
107.08585	72.0
109.06518	13.5
109.10152	22.4
111.04489	2.8
111.08086	5.6
114.10260	5.5
117.07022	6.0
119.04974	3.5
119.08559	18.9
121.06528	7.2
121.10114	17.6
123.08063	8.5
123.11735	6.4
125.09620	15.8
129.07057	3.0
131.04948	3.6
131.08575	11.5
131.12979	2.4
133.10155	20.5
133.11018	3.6
135.08044	7.2
135.11673	7.1
137.09590	6.3
137.13251	2.8
139.11259	3.0
142.07698	2.5
143.08495	3.5
145.10129	14.4
147.04370	2.6
147.11674	14.8
149.09618	17.3
149.13243	5.4
151.11192	4.7
153.05475	3.3
153.09062	2.5
157.10161	3.7
159.11696	14.6
161.13251	7.8
163.03873	15.2
163.11188	6.9
165.09227	3.3
173.13245	5.3
175.11209	5.1
176.04231	4.4
177.05423	2.8
177.12817	3.0
185.13225	3.5
187.14754	3.1
189.11256	9.9
203.14343	4.8
208.06912	2.7
215.14326	3.0
219.17470	3.9
221.15419	3.2
229.19435	3.2
239.17909	4.9
247.20575	3.9
257.18964	13.8
271.12268	2.5
275.20038	100.0
276.20535	3.3
293.15689	13.6
293.21097	29.5
293.24500	5.0
293.28156	4.9
307.78204	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	293.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
53.35662	0.3
55.01872	0.6
55.05515	1.5
56.96554	0.8
60.05649	0.7
62.17473	0.3
67.05506	1.5
69.03419	0.7
69.07057	1.8
70.06580	1.8
70.75285	0.4
71.04979	0.8
71.61920	0.4
72.08150	7.4
77.70604	0.4
79.05482	1.5
81.03419	0.9
81.07047	1.6
84.08117	1.7
85.02891	0.9
85.06516	0.5
86.09703	6.8
89.03901	4.0
89.10793	0.6
91.05474	2.3
93.07037	1.0
94.06548	0.4
95.04973	1.1
95.08606	1.0
96.04491	0.6
96.08161	0.4
97.02879	0.6
97.06526	2.5
97.07627	0.6
98.06042	0.9
98.09677	1.2
98.97591	0.5
98.98459	0.4
99.04468	0.4
100.11246	7.8
103.05444	0.7
105.07018	1.0
107.04943	1.5
107.08582	1.0
109.02881	1.1
109.06519	0.4
109.10155	0.5
110.06044	0.6
113.08374	0.4
114.10281	6.9
115.05452	0.5
115.08669	1.6
116.98647	0.8
117.03369	15.9
117.13882	9.1
119.04931	1.7
119.08591	0.7
120.08098	0.6
121.02878	0.5
121.06437	0.5
122.06011	0.7
124.07556	0.5
126.09151	3.3
127.03908	0.5
128.61583	0.4
130.06497	0.7
131.04918	1.0
131.08560	0.5
131.12971	0.6
132.04436	0.7
132.08076	2.4
133.10139	0.7
134.03616	0.9
134.06006	0.5
134.99675	0.5
135.04431	5.8
136.07564	0.7
137.05974	0.8
141.10236	0.3
143.11771	1.9
145.02835	62.2
145.10097	0.5
146.03175	1.8
146.05992	1.9
147.04396	4.5
147.11427	0.3
147.74455	0.4
148.04819	0.4
148.07561	0.5
149.02362	0.5
149.05959	6.3
152.07014	0.6
158.06023	0.9
159.11559	0.4
160.07571	1.7
161.05913	0.6
162.05438	0.8
163.03897	36.8
164.04227	1.4
164.07034	0.6
168.06572	0.5
171.09192	0.9
176.07060	1.1
177.05457	100.0
177.10201	1.5
178.05841	3.2
178.08560	0.5
180.06512	0.4
181.05046	0.5
186.05470	1.8
189.10220	5.8
202.88710	0.4
203.11810	0.4
204.10254	0.5
207.11273	1.1
218.11784	0.9
229.13435	0.5
230.11696	0.5
231.10365	0.6
232.09648	0.5
233.12825	2.2
233.15320	0.9
233.20074	1.9
234.11229	2.5
239.06932	0.6
247.14334	0.5
248.12932	1.8
257.12878	1.0
261.61746	0.4
262.14233	0.5
265.15515	0.8
275.10657	0.5
275.13834	5.2
275.16754	0.6
276.13443	3.0
277.10703	0.7
293.11331	2.1
293.15527	23.3
293.18555	45.8
293.22141	8.8
294.13123	0.6
294.16000	1.4
294.19278	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	293.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
56.96565	1.4
60.05398	0.6
60.05646	5.3
60.69441	0.4
65.03939	0.5
67.05499	3.9
68.49802	0.4
69.03412	0.7
69.07049	1.4
70.06593	4.6
71.04987	0.6
71.62125	0.7
72.08150	25.1
73.06460	0.7
73.08488	0.8
79.05479	1.8
81.07050	4.5
83.04942	0.6
84.08125	2.0
86.06042	0.6
86.07187	0.6
86.09706	3.8
87.07956	0.7
89.03899	2.5
89.10778	1.9
91.05457	2.1
93.07011	1.0
95.04960	0.9
95.08598	3.4
96.04478	0.5
97.02876	0.6
97.06576	0.5
97.07645	4.3
98.06059	2.6
98.09691	2.4
98.97578	1.3
103.05468	0.7
105.07040	1.1
107.04958	3.0
107.08574	0.6
109.10133	2.1
112.07611	1.1
114.10281	28.3
114.12781	2.3
115.08679	3.1
115.10576	0.7
116.98592	1.4
117.03381	4.7
119.04939	2.9
119.08559	0.9
120.08116	1.1
121.02885	1.0
123.11692	1.3
130.06505	1.1
131.04906	0.6
131.12917	8.4
131.15411	1.9
133.06494	0.8
134.03603	0.5
134.05991	0.9
134.99667	0.9
135.04405	14.0
140.07047	1.2
142.36290	0.5
143.00137	0.6
145.02838	13.9
146.06003	0.9
147.04393	13.7
147.05499	1.1
148.04758	1.5
148.07484	0.7
149.02431	0.6
152.07069	1.0
157.10812	1.2
158.06006	0.8
158.08099	2.6
161.01164	0.7
162.05478	1.2
163.03891	100.0
164.04305	1.5
165.64912	1.6
177.05525	1.2
186.05370	0.6
187.08710	0.7
205.04701	0.5
206.08076	1.1
216.10271	1.0
217.13387	0.5
218.11758	2.1
232.09430	0.6
233.12883	4.5
234.11263	6.6
251.04362	0.6
251.13731	0.6
260.13779	0.9
269.05347	1.0
275.10275	0.5
275.13937	2.2
275.19983	0.7
276.10333	0.8
276.13373	7.2
276.16010	1.2
277.16592	2.7
287.06717	0.5
292.66779	1.2
293.15979	70.2
293.18674	9.4
294.10861	0.6
294.16324	1.7
295.28333	0.5
311.06418	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	293.1493
Annotation	Antibiotic RK 441
Peak:m/z	Relative Intensity
50.29543	0.3
54.71274	0.3
55.05501	0.9
55.30409	0.4
56.05027	0.6
56.96325	0.4
56.96563	4.8
57.03421	0.5
58.06595	1.7
61.02926	0.4
67.05486	0.9
68.05006	0.3
69.03411	0.8
69.07053	0.5
70.06589	2.6
70.88123	0.8
70.88467	0.5
71.05010	0.6
72.08148	3.1
73.02888	0.4
74.86360	0.3
79.05489	1.4
80.05009	1.0
81.03395	0.8
81.07026	1.0
82.06572	2.5
84.04478	0.8
84.08143	2.5
84.96018	1.5
85.02910	2.3
86.06084	0.6
86.09686	1.7
88.03962	0.5
91.05484	0.6
93.07043	0.6
94.06554	2.8
95.04960	0.6
95.07314	0.6
95.08599	0.8
96.04517	0.4
96.08115	1.2
97.02874	1.2
97.96845	0.5
98.06056	1.7
98.09693	3.1
98.97578	5.9
105.06976	0.4
106.06548	0.7
107.04912	0.4
108.08096	0.8
109.02930	0.5
109.08891	0.3
110.06063	1.7
110.07123	0.4
110.09675	0.5
110.97613	0.5
112.07600	8.6
114.09156	2.0
114.10287	0.8
114.12766	0.5
116.07099	0.5
116.98610	5.6
118.06522	0.5
119.04961	0.5
120.08058	1.3
122.06015	2.3
123.11692	0.4
124.07574	0.6
126.09127	0.8
127.03929	1.0
128.07066	1.3
128.98587	0.8
130.06526	0.6
130.08621	14.3
131.00151	0.5
131.07231	0.4
131.08975	0.4
132.04462	2.4
132.08069	0.7
134.05997	1.5
134.99655	4.4
136.07564	0.6
136.11169	0.4
138.05475	0.4
138.09142	0.7
143.00151	1.6
145.05095	0.5
146.05991	1.3
146.08124	0.7
146.99646	1.3
147.04358	2.0
148.07565	1.6
148.11186	0.6
149.01210	0.6
150.05554	0.4
150.09071	0.5
153.00717	0.6
154.08727	0.4
156.10182	0.5
157.01686	0.5
158.06071	0.5
158.99643	0.6
160.07582	2.5
161.01244	2.7
161.02510	0.5
161.07082	0.9
162.05473	0.7
162.09111	0.8
163.03911	1.3
164.07080	2.5
164.10687	0.6
165.00731	0.3
165.36861	0.4
170.05098	0.4
172.07565	0.3
173.01210	0.8
174.09137	0.4
175.02779	0.8
175.04358	0.4
176.07016	0.9
176.10593	0.5
177.00714	0.9
178.08623	1.4
180.10188	0.7
186.09158	0.8
190.08516	0.4
191.02267	1.5
191.11691	0.4
196.09631	0.5
202.08636	0.8
204.06583	0.3
204.10059	0.6
214.08586	0.7
216.10175	1.2
218.08118	1.4
218.11748	0.9
219.01799	1.1
219.11313	0.3
225.10266	0.4
227.11743	3.6
228.10132	0.5
229.09680	0.3
229.13260	0.3
230.13989	0.7
231.11362	0.6
232.09625	0.4
233.03250	0.7
237.02802	1.5
239.11778	1.2
245.12823	1.1
251.04453	2.1
257.12817	2.2
258.13266	0.4
269.05414	4.5
275.13870	8.8
276.14438	0.8
287.06519	1.5
293.05670	3.1
293.14941	100.0
293.18387	5.6
293.21640	7.6
294.15237	2.7
311.06470	9.2
311.09937	0.6
312.06747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01858	2.1
55.05301	0.9
55.05508	10.4
57.03437	12.0
59.04993	1.7
61.02913	2.1
67.05497	6.1
69.03425	9.0
69.07044	2.5
71.01349	4.6
71.04988	34.9
73.02903	3.7
75.04154	0.8
75.04475	9.0
79.05490	7.3
79.06819	0.9
81.03394	2.9
81.07060	6.0
83.04474	1.3
83.04979	25.6
83.08587	1.2
85.02901	100.0
85.06521	1.8
87.04448	2.8
91.05473	4.8
93.07037	6.2
95.04969	9.1
95.08611	4.3
97.02879	2.2
97.06506	3.1
97.10144	1.9
97.93510	0.8
99.04431	4.2
101.05990	3.5
103.03931	0.9
105.07016	5.4
107.04955	1.8
107.08591	10.5
109.02857	4.0
109.06506	2.8
109.10155	2.2
111.04443	23.5
113.02298	1.5
113.05976	4.3
117.06976	1.2
119.08562	3.4
121.06512	2.4
121.10081	2.5
123.04451	1.4
123.08077	1.2
123.11674	1.4
125.05994	1.7
125.09626	2.7
127.03902	3.7
129.05470	27.1
131.08563	1.9
133.10071	2.3
137.09547	0.9
139.03882	2.1
141.05441	1.6
145.10129	1.5
147.06519	13.5
147.11664	1.8
149.09541	1.7
151.03935	0.9
153.05464	14.4
157.04959	2.5
159.06502	2.8
159.11668	1.2
169.08432	0.8
171.06514	8.3
179.07010	1.2
183.06523	2.4
189.11168	1.7
201.07555	7.1
213.07570	3.0
239.09126	8.6
247.20657	1.0
249.23842	1.0
257.10202	5.1
257.18933	1.7
266.40424	1.3
275.11279	8.0
275.20035	12.2
293.04370	3.2
293.12320	5.6
293.21176	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	293.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
55.05505	9.2
57.03437	11.3
57.07068	2.6
60.77253	1.4
61.02925	2.9
61.50279	1.5
67.05505	8.2
69.03415	11.1
69.07058	9.4
71.01337	7.0
71.04593	1.8
71.04987	34.8
71.62024	2.2
72.08160	2.0
73.02905	5.0
75.04481	12.8
79.05491	8.6
81.03397	3.6
81.07044	14.0
83.04976	29.2
83.08602	2.8
85.02899	100.0
85.06531	5.5
87.04462	2.4
91.05473	5.5
93.07045	9.5
95.04965	10.0
95.08594	13.4
97.02882	3.1
97.06532	5.1
99.04456	6.5
101.05997	3.8
103.05442	1.6
105.07019	8.4
107.04931	3.2
107.08588	8.1
109.02873	6.1
109.06511	3.2
109.10162	12.3
111.04439	29.0
111.08054	2.1
113.02394	2.0
113.06015	4.4
116.82236	1.7
119.08565	6.2
121.02888	2.7
121.06493	1.4
121.10126	5.6
123.08044	3.1
123.11678	3.9
125.05919	1.6
125.09612	2.2
127.03900	3.1
129.05470	30.7
131.04936	2.7
131.08514	2.6
133.10135	2.9
135.11723	3.1
137.06012	2.3
139.03894	2.8
141.05444	1.8
145.02899	1.9
145.10057	2.6
147.04456	2.8
147.06491	11.1
147.11604	2.8
149.13246	3.3
151.07561	2.9
151.11172	2.2
153.05458	16.5
157.04948	2.5
159.11711	3.5
161.06004	2.5
161.13297	1.7
163.03943	2.9
165.05536	1.9
167.07036	1.9
171.06480	8.7
171.11636	1.8
175.03891	2.9
175.14711	1.7
177.07191	1.7
179.06949	1.6
189.05470	2.1
193.05017	2.7
201.07440	8.3
205.15849	2.1
213.07584	2.5
237.70618	1.9
239.09160	13.0
257.10190	4.7
268.38644	1.9
275.11270	4.7
275.13916	2.4
275.20236	2.8
275.23602	2.0
293.08035	25.1
293.12021	6.8
293.18484	3.7
293.24683	5.2
294.04871	2.1
294.07846	2.9
314.91602	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	293.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05515	6.6
57.03438	12.2
57.07052	1.4
59.04980	2.6
61.02926	1.6
61.89291	1.1
62.16961	1.2
67.05489	4.9
67.89726	1.1
69.03423	8.5
69.07052	3.5
70.06406	5.4
71.01336	4.2
71.04991	30.6
73.02901	5.7
73.35243	1.2
75.04485	11.3
79.05486	4.1
81.03423	2.0
81.07043	5.9
83.04979	25.6
85.02901	100.0
87.04451	3.3
91.05493	2.3
93.07014	2.9
95.04958	7.2
95.08587	4.9
97.02879	2.2
97.06503	3.7
98.20776	1.6
99.04449	4.1
101.06016	2.5
105.07010	2.7
106.88422	1.2
107.04911	1.8
107.08581	4.8
107.16697	1.4
107.17461	1.5
109.02853	4.6
109.06525	2.7
109.10145	1.6
111.04442	23.9
113.06003	5.1
119.08612	3.1
121.06521	3.3
121.10133	1.9
123.04396	1.9
125.06012	2.0
127.03916	2.6
129.05473	28.8
131.04921	2.7
131.88594	1.2
133.10187	2.0
135.11632	1.3
145.10066	1.6
147.06509	15.7
147.11681	1.8
149.05981	1.6
151.07538	2.5
153.05435	16.5
157.05020	3.3
159.06567	2.4
163.11188	1.4
171.06523	9.2
178.08575	1.1
183.06509	1.6
193.08479	1.7
195.06517	1.6
201.07579	5.2
213.07678	2.5
221.07967	1.2
239.09145	7.9
257.10147	4.5
275.11307	7.3
275.20105	5.9
275.61499	1.5
293.04471	1.7
293.12155	4.5
293.21387	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	293.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01859	2.7
55.05510	7.7
56.94066	0.8
57.03429	10.5
57.07071	1.2
59.04999	1.8
61.02917	1.4
67.05505	7.1
69.03424	8.4
69.07057	4.3
69.49297	7.5
71.01359	5.3
71.04987	36.8
73.02907	4.4
75.04474	9.5
79.05477	6.1
81.03403	2.6
81.07047	7.7
83.04972	28.4
83.08614	1.9
85.02898	100.0
85.06543	1.6
86.03242	1.3
87.04468	3.5
91.05482	4.5
93.07030	4.8
95.04958	7.3
95.08591	4.3
97.02882	2.2
97.06508	3.7
97.10180	1.6
98.04276	0.9
98.20788	2.2
99.04465	4.7
101.06010	3.9
103.03896	1.0
105.07018	4.1
107.04929	1.5
107.08595	6.3
109.02872	4.6
109.06519	2.7
109.10155	2.5
111.04440	25.8
113.02364	1.0
113.05967	5.0
115.05394	1.0
117.06978	1.4
119.08543	2.0
121.06498	3.3
121.10114	1.4
122.26739	1.1
123.04443	1.1
123.08106	1.7
125.05969	2.7
125.09653	1.5
127.03934	2.9
129.05469	33.8
131.04927	1.2
131.08476	1.6
133.10146	1.9
135.04417	1.4
135.11732	1.1
137.05951	1.4
139.03905	1.3
145.10107	1.5
145.35103	0.9
147.06517	13.6
147.11728	1.8
148.19832	0.9
149.06010	2.0
149.09630	1.7
151.07501	2.0
152.02808	0.9
153.05460	15.0
157.04945	3.4
159.06508	1.6
159.11758	1.3
163.03880	1.0
165.09042	1.3
167.07199	1.0
171.06500	8.0
176.07024	1.8
179.06996	1.1
183.06497	2.9
189.11252	0.9
195.06512	1.0
201.07587	6.4
213.07555	3.1
239.09090	10.2
252.02362	1.0
257.10202	4.3
257.19016	1.4
275.11234	8.9
275.20035	9.5
293.08127	1.0
293.12216	4.4
293.21167	3.2
294.11295	1.1
310.16479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58762	1.8
71.15354	3.8
79.37462	1.8
79.67383	2.3
118.08123	2.1
161.99495	2.9
175.04549	4.6
217.83553	2.4
247.06712	2.5
269.05383	2.6
287.56165	2.1
293.06317	100.0
311.06482	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	293.1018
Annotation	Mikaperiplocolide
Peak:m/z	Relative Intensity
53.03914	0.4
55.01853	1.4
55.05491	1.4
56.96556	0.6
57.03410	0.5
60.05626	1.1
65.03944	0.6
67.05499	3.1
68.99786	0.4
69.03413	1.3
69.07043	1.9
70.06570	1.4
71.04977	1.0
71.62808	0.5
72.08153	7.2
72.08542	0.9
77.03967	0.5
79.05480	2.5
81.03397	1.1
81.07057	4.3
83.04964	1.0
83.08610	0.7
84.04523	0.3
84.08132	2.9
84.95997	0.4
85.02892	1.0
85.06526	0.9
85.08457	1.0
86.09673	1.5
89.03885	0.6
89.10785	0.4
91.05486	2.0
93.07047	2.4
94.06553	0.6
95.04949	1.0
95.08589	3.1
97.02876	1.2
97.06464	0.9
98.06045	0.8
98.09692	5.7
98.97578	0.7
103.05465	1.5
105.03377	0.8
105.07017	1.7
107.04934	1.5
107.08601	2.1
109.02886	0.9
109.06474	0.8
109.10122	2.0
111.04425	0.5
111.08065	0.5
112.07587	0.5
112.11239	0.9
114.10294	3.9
115.05440	0.7
115.08675	1.1
116.98608	0.9
117.03367	0.9
117.07046	0.7
119.04942	3.2
119.08575	1.7
120.08094	1.2
121.02872	1.0
121.06488	0.7
121.10147	2.7
123.04459	0.7
123.08033	0.6
123.11710	1.0
124.07594	0.7
127.03870	0.4
131.04927	1.2
131.08549	1.0
131.12909	1.3
133.02835	1.3
133.06505	0.7
133.10097	1.9
134.99657	0.6
135.04416	2.0
135.11673	0.8
137.02330	17.6
137.13191	0.4
141.06995	0.8
145.02826	3.5
145.06461	0.9
145.10127	0.6
146.99626	0.5
147.03354	0.6
147.04411	6.3
147.11673	0.7
148.04745	0.6
149.02332	0.6
149.09492	0.5
151.03954	0.5
151.07532	0.8
153.01823	0.6
153.05637	0.4
153.06992	1.8
155.08556	2.4
156.10194	2.7
157.06517	0.4
159.08011	0.6
159.11699	0.7
161.06052	0.6
163.03914	14.9
165.07014	5.9
168.06596	0.5
173.06021	0.6
173.09634	0.7
173.13240	0.6
175.03891	1.5
177.05467	4.4
179.03407	0.4
183.08054	11.2
183.74289	0.4
187.03998	0.6
187.07590	1.0
187.14787	0.5
189.05479	1.3
191.03485	0.6
192.10164	0.6
192.72203	0.4
193.04950	6.9
194.02168	0.5
200.04648	0.4
201.05385	1.5
201.09047	1.9
203.07083	0.7
207.02869	3.1
207.06470	0.5
211.07524	1.7
213.05478	0.6
214.06197	1.6
215.07018	1.5
218.11829	0.8
219.06427	0.7
227.07042	0.9
229.08585	18.0
233.12895	0.8
234.07674	0.5
234.11288	1.0
239.07022	68.0
240.07349	1.8
247.07396	0.4
247.21764	0.6
256.04907	0.9
257.08078	100.0
258.08365	2.1
271.04715	0.5
275.09131	29.7
275.13834	0.7
275.20114	0.9
276.13306	1.4
284.64130	1.2
291.20667	1.8
292.67279	1.8
293.10370	12.0
293.15881	9.1
293.22192	31.3
294.05145	1.1
296.09360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78881	0.6
55.01844	0.8
55.05484	0.9
56.05020	0.8
56.96560	25.4
57.03417	2.1
58.06581	1.1
60.03414	0.7
61.02904	1.5
64.53146	0.7
68.69721	0.7
69.03403	3.2
69.07044	0.8
70.06580	4.7
70.56646	1.2
70.98096	1.4
71.04976	1.2
71.95250	1.6
72.08145	5.5
73.02918	1.2
80.05001	1.5
81.03387	3.1
81.07051	1.0
82.06546	2.2
84.08106	2.5
84.96030	9.6
85.02900	5.8
86.09692	1.8
87.04458	0.9
91.05463	1.3
93.07025	0.7
94.06535	2.7
96.08131	1.2
97.02911	4.0
97.50752	0.7
97.90688	0.7
97.96791	3.3
98.06052	1.2
98.09689	3.3
98.20786	0.7
98.97577	47.3
99.04397	1.0
100.07594	0.8
102.97023	2.1
106.06546	0.8
109.02834	1.6
110.06023	2.8
110.97556	4.1
112.07602	5.5
112.99103	3.0
114.09145	2.8
115.97831	1.5
116.98608	37.2
120.08080	1.2
122.05991	2.5
123.04358	0.9
124.07632	1.1
124.99078	1.3
127.03870	2.4
128.07028	1.6
128.98599	8.8
130.08630	21.0
131.00159	4.8
132.02525	0.7
132.04424	3.1
133.03355	1.1
134.05986	2.0
134.99648	20.5
136.07568	1.1
138.09102	1.0
140.00197	1.0
140.98567	1.9
141.99380	2.0
143.00140	11.0
146.05965	1.1
146.08067	0.8
146.99649	7.7
147.04405	2.5
148.03772	0.7
148.07541	1.8
149.01221	6.1
152.07043	1.3
152.98587	1.9
153.00684	3.7
154.01912	1.0
155.00226	0.9
157.01675	2.5
158.01233	0.9
158.99603	5.9
159.06810	0.9
160.00362	1.2
160.07545	2.4
161.01231	13.2
161.07080	1.4
162.99139	1.3
163.02678	1.1
163.03940	1.4
164.07022	3.0
165.00702	2.4
167.02266	1.1
170.99638	4.4
173.01248	4.6
173.02606	0.8
175.02728	2.5
176.07092	1.1
177.00717	9.0
178.08618	1.6
178.55022	0.7
179.02185	1.0
180.10240	1.1
183.04109	3.0
184.04822	1.4
186.09108	1.1
188.07155	0.8
189.00635	2.9
191.02313	4.5
192.04636	1.5
193.00201	1.0
195.01831	1.4
195.05351	0.9
196.09711	1.0
201.00662	3.0
202.08572	0.9
204.98093	0.7
207.01862	1.3
209.03383	0.8
212.06268	2.7
218.11786	1.0
219.01750	8.0
219.11256	1.1
220.02113	0.7
221.03296	1.4
223.01344	1.0
227.11815	3.8
231.11288	1.2
233.03226	3.6
234.98981	0.9
237.02797	14.9
245.12744	1.2
251.04385	29.6
255.03783	1.4
257.12817	2.3
269.05420	31.0
274.06079	1.5
274.97476	1.4
275.04163	0.9
275.10400	0.7
275.13895	4.7
277.05798	1.0
287.06500	8.9
291.20535	1.2
292.06903	2.1
293.05502	23.1
293.11325	12.4
293.14877	100.0
293.21780	8.0
294.15292	1.0
309.32285	0.8
311.06473	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05497	0.7
56.96549	0.3
57.03426	0.3
58.02947	0.3
58.06583	0.6
58.36742	0.2
60.40587	0.2
64.41183	0.2
67.05481	0.4
68.64289	0.2
69.03422	0.8
69.07052	0.5
70.06573	0.7
70.75703	0.6
72.08147	1.7
79.05492	0.4
81.03401	0.6
81.07043	0.4
83.08615	0.2
84.08116	0.7
85.02918	0.4
86.09715	0.2
91.05479	1.2
95.04927	0.3
97.02881	0.6
97.06520	0.9
98.97555	1.0
104.36152	0.2
107.04942	0.3
107.08582	0.5
109.02911	0.4
110.06000	0.2
112.07596	100.0
113.07931	0.8
116.98608	0.9
117.03343	1.3
119.04945	1.5
120.58928	0.5
123.04426	0.3
131.00162	0.2
131.04948	0.3
132.05412	0.2
133.10081	0.4
134.99654	0.6
137.09596	0.3
145.02829	2.9
146.99681	0.3
147.04399	2.2
148.04823	0.3
148.06035	0.2
149.05948	0.5
152.07050	0.4
162.02661	0.3
163.03917	0.4
164.04309	0.6
173.02502	0.3
174.02701	0.3
175.03908	1.9
177.00735	0.3
177.05466	6.2
182.04204	0.2
191.14278	0.3
207.06528	3.0
214.08768	0.2
215.07104	0.4
216.07372	1.1
219.01648	0.2
225.59279	0.2
233.11725	0.6
235.10930	0.3
235.14574	0.2
260.10019	0.3
271.10202	0.7
271.60205	0.2
274.06839	0.8
292.07761	1.0
292.12265	0.4
292.15405	2.6
292.19019	0.3
292.19769	0.3
307.12234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1541
Annotation	Convolvine
Peak:m/z	Relative Intensity
55.05503	2.0
56.96558	0.3
65.03936	0.7
67.05491	0.3
69.07052	0.5
69.32415	1.3
69.32853	1.3
71.51707	0.2
77.03915	0.7
79.05492	0.3
81.07043	1.0
82.07375	0.4
84.08138	0.7
86.09698	2.5
86.52615	0.2
89.03901	0.6
91.05474	20.7
92.05783	0.3
93.07034	0.4
95.04942	0.4
95.08601	0.5
96.08916	0.3
98.97599	0.5
103.05460	0.7
105.03410	0.3
105.07029	0.3
105.84081	0.2
107.08592	0.5
107.52113	0.3
109.10129	0.4
112.07565	0.7
117.45040	0.2
118.04189	0.6
119.04933	36.3
120.05270	0.6
122.10450	0.3
129.03349	0.6
131.04886	0.5
132.02068	1.1
133.02856	0.6
135.04407	0.5
135.11708	0.3
136.05197	0.5
145.02892	0.5
146.03551	0.5
147.04396	32.4
148.04739	0.4
149.02312	1.1
150.03105	0.3
152.52174	0.2
157.03964	2.6
160.01506	0.3
162.03020	0.3
163.03888	0.3
164.04703	1.1
167.07042	0.4
175.03891	54.8
176.04314	1.3
179.06967	2.3
192.04156	1.8
205.04498	0.3
207.06509	100.0
208.06850	2.1
292.15414	20.2
292.18744	1.3
292.26993	0.6
293.15637	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
55.05506	2.0
59.27332	0.2
65.03941	0.6
66.92872	0.2
67.05500	0.3
67.53354	0.2
68.02841	0.2
69.07053	0.3
69.64535	0.5
69.64924	1.8
75.48247	0.2
77.03914	0.5
79.05494	0.5
81.07020	0.3
84.08129	0.6
86.09697	1.9
89.03909	0.4
91.05477	20.0
92.05813	0.3
93.07055	0.5
95.04979	0.4
95.08575	0.3
103.05473	0.6
105.03374	0.6
107.04981	0.3
108.05698	0.3
109.10162	0.2
110.10403	0.2
112.07601	0.6
117.40000	0.2
118.04152	0.4
119.04935	34.7
120.05258	0.5
121.53514	0.2
129.03329	0.7
131.04927	0.5
132.02100	1.2
133.02847	0.6
136.05151	0.6
145.02858	0.5
147.04402	31.0
148.04803	0.5
149.02348	0.7
150.58618	0.2
157.03931	2.5
162.03113	0.3
163.04010	0.3
164.04691	1.1
168.10953	0.5
174.03128	0.4
175.03897	57.0
176.04300	1.1
179.06987	1.9
192.04207	1.8
207.06516	100.0
208.06900	1.9
215.86864	0.3
292.15405	28.5
293.15707	0.9
306.78638	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	292.1539
Annotation	Convolvine
Peak:m/z	Relative Intensity
55.05503	1.2
56.79435	0.2
58.36540	0.2
60.90807	0.2
65.03929	0.6
67.58211	0.2
69.33389	0.8
69.33816	1.8
72.08138	0.2
77.03927	0.6
84.08146	0.7
85.70690	0.2
86.09693	2.0
86.61082	0.2
91.05474	19.2
95.04974	0.4
98.21530	0.5
103.05464	0.5
105.03387	0.5
112.07573	0.4
118.04128	0.5
119.04936	31.9
120.05277	0.3
129.03345	0.6
131.04922	0.4
132.02072	0.9
135.04372	0.3
136.05170	0.3
145.02863	0.7
147.04404	27.3
148.04715	0.5
149.02342	0.6
153.20839	0.2
157.03946	2.1
163.67770	0.2
164.04698	0.9
167.07005	0.3
175.03896	51.6
176.04289	1.2
179.07040	1.8
192.04184	1.8
199.18822	0.3
207.06512	100.0
208.06844	2.5
292.15408	18.8
293.15729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.61815	0.7
53.03932	1.9
55.01847	1.8
55.05505	20.4
56.86177	0.7
57.03439	1.7
57.07070	6.6
59.04988	0.8
65.03925	1.6
67.05125	1.0
67.05498	34.3
69.03417	2.4
69.07062	40.9
70.20174	3.1
71.04976	1.7
71.08624	1.7
72.08147	3.6
78.27745	0.7
79.05485	20.6
81.07048	100.0
82.07385	1.0
83.08611	16.3
85.02914	1.0
85.06531	21.9
85.10189	1.4
91.05470	12.3
93.07036	45.9
94.07346	1.1
95.04960	3.1
95.08597	86.4
96.08922	1.8
97.02856	0.8
97.06508	2.4
97.10167	10.3
98.20816	1.0
99.08076	13.5
105.07022	14.6
106.91156	0.8
107.04985	0.7
107.08588	55.0
108.08899	0.8
109.06495	2.5
109.10145	56.7
110.10518	1.0
111.08103	4.4
111.11713	5.0
113.09618	4.3
117.07027	0.8
119.04941	2.4
119.08571	14.0
121.06533	0.7
121.10133	39.6
123.08028	1.3
123.11692	28.7
125.09637	4.6
125.13220	1.5
127.03903	4.4
127.11175	2.2
128.04280	1.2
129.04379	1.8
129.07007	1.0
133.10117	10.1
135.08058	1.4
135.11682	29.0
136.12088	1.0
137.13239	10.0
139.03865	1.1
139.11177	3.1
145.10103	1.5
147.04413	5.8
147.11667	8.0
149.13243	49.5
150.13593	1.5
151.11125	1.1
151.14804	2.7
153.12781	1.3
157.06477	1.0
159.11711	1.0
161.09608	0.9
161.13234	8.3
163.14818	31.3
164.15219	1.2
165.16446	1.1
167.14305	2.0
171.11638	0.8
175.03900	3.0
175.14838	5.0
177.05511	1.1
177.16359	13.6
177.50365	0.8
179.14282	0.9
179.17902	1.1
181.15846	2.7
181.67906	0.7
189.16371	3.5
191.17952	6.0
195.17397	2.3
203.17888	5.1
205.19460	0.9
207.06493	6.2
207.17436	1.7
209.18958	3.8
216.04602	0.8
217.19547	6.5
219.21109	1.6
221.19008	2.2
231.21089	2.0
232.09744	0.9
233.22694	1.4
235.20515	3.6
245.07932	0.8
245.22418	0.8
247.24199	1.5
273.18411	1.4
273.25729	12.3
274.26144	1.0
276.07660	1.2
291.19537	3.2
291.26785	71.1
292.15387	1.9
292.27112	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.62009	0.7
53.03922	2.4
55.01857	2.4
55.05260	1.4
55.05509	21.5
57.03428	1.9
57.07072	7.5
65.03909	1.5
67.05499	41.3
69.03417	3.5
69.07063	34.7
71.04981	2.1
71.08602	1.5
71.62832	1.5
72.08144	4.6
78.22957	0.9
79.05486	23.7
80.05827	1.0
81.03397	1.8
81.07050	100.0
82.07386	2.1
83.04967	1.7
83.08612	15.8
85.02885	1.4
85.06074	0.9
85.06537	13.9
91.05472	14.5
93.07035	49.9
94.07360	1.7
95.04951	3.8
95.08597	77.6
96.08938	1.4
97.06513	3.1
97.10170	10.1
99.08088	11.3
103.05480	1.0
105.07015	17.5
107.04918	2.0
107.08584	45.6
108.08921	2.1
109.06505	4.3
109.10144	53.2
110.10547	0.9
111.04419	1.2
111.08086	7.5
111.11709	5.2
113.09617	1.6
114.10188	0.9
115.14230	0.8
117.07004	1.9
119.04926	1.2
119.08572	15.4
121.06475	2.1
121.10131	33.5
123.08037	1.9
123.11699	35.6
124.11997	1.4
125.09620	2.8
125.13246	1.3
127.03898	5.8
127.11150	1.4
127.14800	1.0
128.04227	1.2
129.04340	2.1
131.04990	0.9
131.08571	2.8
133.10124	13.6
133.11090	1.4
135.08049	2.6
135.11676	28.8
136.06189	1.1
137.09666	0.9
137.13226	9.1
139.11153	2.3
143.08522	1.5
145.10127	2.9
146.06009	1.6
147.04413	6.4
147.11670	11.3
149.09595	1.6
149.13246	46.0
150.13620	1.0
151.07491	0.9
151.11136	0.9
151.14778	2.3
157.06526	1.3
159.11729	1.1
161.09639	1.8
161.13252	5.9
163.11177	0.9
163.14815	21.2
165.12616	1.0
165.16408	1.7
167.14340	2.9
175.03889	1.4
175.14819	5.0
177.16374	11.8
181.15822	2.1
189.09059	1.4
189.16347	5.4
191.17944	6.1
195.17459	4.2
195.44992	0.8
203.17873	5.1
205.19502	1.0
207.06505	3.3
207.17487	1.4
209.19019	1.8
217.19553	4.5
218.11613	1.0
221.18985	3.8
227.07014	1.7
231.13866	0.9
235.20569	3.6
245.08034	3.2
247.24063	1.1
248.08281	0.9
255.06679	0.9
263.15005	1.0
273.07520	1.7
273.18286	4.1
273.25748	10.9
276.07495	0.9
291.08719	2.5
291.19922	9.3
291.26788	87.1
292.27158	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	292.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03939	0.4
55.01885	0.5
55.05513	2.1
57.03434	0.3
58.06602	0.2
59.83250	0.2
65.03938	0.9
67.05504	1.0
68.05811	0.3
69.03420	0.4
69.07066	0.8
69.38485	1.9
70.06599	0.4
71.04984	0.6
72.08147	1.4
77.03928	0.7
77.20124	0.2
79.05494	0.6
79.16750	0.2
81.03414	0.3
81.07027	1.7
82.07393	0.6
83.04987	0.2
83.08595	0.4
84.08150	0.6
85.02907	0.7
85.06516	0.5
86.09700	2.4
89.03925	0.6
91.05472	20.1
92.05788	0.5
93.07043	0.8
94.07366	0.2
95.04955	0.7
95.08587	1.3
96.08930	0.5
97.02907	0.4
97.06519	0.4
97.07637	0.3
98.97559	0.3
99.08092	0.2
103.05458	0.5
105.03378	0.6
105.07019	0.6
106.06351	0.2
107.04933	0.4
107.08567	0.6
108.08924	0.5
109.02853	0.5
109.10143	1.0
110.10499	0.4
111.52427	0.2
112.07583	1.0
114.10294	0.6
117.03349	0.3
117.07036	0.2
118.04157	0.4
119.04931	32.0
120.05267	0.8
121.06490	0.3
121.10120	0.4
122.10482	0.3
123.08035	0.3
123.11719	0.4
124.12012	0.3
126.01078	0.3
127.03910	0.3
129.03366	0.4
131.04930	0.5
131.12889	0.4
132.02065	1.1
133.02821	0.5
134.03644	0.3
135.04422	0.4
135.11720	0.2
136.05185	0.6
136.06180	0.6
137.05920	0.3
145.02827	1.4
146.03618	0.3
147.04395	30.8
148.04799	0.8
149.01283	0.3
149.02315	1.0
149.05989	0.3
149.13286	0.5
150.03171	0.2
150.13589	0.6
151.07544	0.5
152.07129	0.3
157.03951	2.8
160.01494	0.3
161.05923	0.2
162.03110	0.4
163.03860	0.8
164.04594	1.1
164.15210	0.4
174.03099	0.4
175.03891	53.3
176.04323	1.2
177.05473	0.7
179.06984	2.6
192.04149	1.9
200.25026	0.2
201.09111	0.2
207.06505	100.0
208.06857	2.7
254.04556	0.3
277.08261	0.2
280.08865	0.5
292.15323	23.9
292.26993	1.4
292.67526	0.5
293.07675	0.5
293.15765	1.2
299.35593	0.2
307.17664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03931	1.7
55.01852	1.4
55.05510	12.0
57.07069	3.6
67.05504	25.7
69.07068	11.9
69.50372	5.2
69.50799	5.1
71.08605	2.8
79.05489	35.2
81.07056	38.6
81.57375	1.3
83.08620	6.0
85.06535	2.9
91.04968	1.3
91.05479	15.3
93.07041	51.7
95.04980	7.3
95.07983	1.6
95.08599	26.6
97.06513	3.9
97.10155	4.1
98.21490	2.3
99.08066	2.9
105.07016	13.4
107.08585	36.6
108.08911	1.3
109.06512	25.4
109.10139	10.8
117.07040	3.1
118.57612	1.4
119.08574	11.4
121.06539	1.3
121.09293	2.6
121.10145	31.7
123.08024	2.7
123.11699	4.1
129.06908	1.4
131.08566	4.2
133.10129	10.3
135.08073	1.6
135.11688	29.8
137.09578	1.6
143.08519	2.8
145.10107	4.2
147.11693	9.4
149.09593	2.0
149.13240	21.0
159.11696	4.1
161.13214	4.4
163.11211	2.2
163.14810	7.4
165.12737	21.0
171.11652	1.3
173.13263	3.5
175.14807	3.6
177.12682	2.9
185.13312	2.7
189.12781	1.6
209.15335	1.7
235.16910	7.4
241.19485	4.6
249.18512	3.6
259.20587	6.0
282.02414	1.4
291.23166	100.0
292.23480	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03930	2.2
55.01857	3.2
55.05505	10.3
56.96542	3.4
57.03422	2.4
65.03908	3.4
65.37036	1.4
67.05499	51.1
69.03410	3.3
69.07066	9.7
70.36882	3.7
70.37300	2.5
76.01170	1.1
79.05127	1.3
79.05492	17.4
81.03408	2.3
81.07047	22.9
83.04972	2.5
83.08600	4.8
85.06527	2.2
89.61707	1.2
91.05469	17.0
93.07035	22.3
95.04962	100.0
95.08600	13.3
97.06538	5.9
97.10159	1.9
103.05479	1.5
105.07022	18.0
107.04931	10.8
107.08594	11.5
109.02842	1.0
109.06500	8.5
109.10141	5.0
111.08056	3.8
115.05398	1.3
117.06996	5.7
119.04955	2.2
119.08583	9.1
121.06507	6.9
121.10123	6.9
123.04433	2.2
123.08059	3.9
123.11662	2.5
128.06210	1.7
129.07010	2.1
131.08553	14.2
133.06468	5.0
133.10117	4.5
135.08052	3.4
135.11655	4.7
137.05997	2.3
137.09613	1.5
143.08536	11.7
145.06572	1.3
145.10088	7.9
147.04427	1.6
147.08002	6.5
147.11629	4.4
149.09665	2.5
149.13216	4.1
151.07497	1.9
157.10144	3.2
159.11667	4.0
161.13239	1.7
163.11200	3.2
169.10100	2.2
171.11739	1.5
173.13191	1.3
175.11258	2.2
177.12714	3.8
185.13269	1.7
187.11159	2.2
187.14796	1.5
189.12744	1.3
217.15825	1.3
227.17833	1.8
245.18941	3.2
255.17532	1.5
273.07510	1.4
273.18469	25.9
291.19583	20.4
291.22910	2.4
291.26572	1.7
297.51767	1.3
313.89935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.30321	2.4
53.03931	5.8
55.01862	12.6
55.05502	25.7
57.03418	3.8
57.07062	5.2
65.03911	4.0
65.76525	3.0
67.05503	43.4
69.03403	4.3
69.07062	22.6
69.36694	20.2
69.37109	5.4
71.04992	7.1
72.08147	4.3
79.05054	4.2
79.05486	46.2
81.03422	15.1
81.07050	66.5
83.04968	10.0
83.08626	13.9
85.02856	2.5
85.06530	6.1
91.05466	40.8
93.07027	43.5
95.04961	23.3
95.08597	77.7
97.06503	6.9
97.10156	5.6
104.10751	5.3
105.07024	35.4
107.04958	19.1
107.08571	22.4
109.06527	15.1
109.10158	16.8
111.04431	2.5
111.08067	9.3
117.06997	14.9
119.04914	4.9
119.08573	30.9
121.06512	20.4
121.10136	17.1
123.08063	27.0
123.11660	3.7
125.09621	3.6
128.06213	3.2
129.07010	12.0
131.08553	24.2
133.06471	10.3
133.10126	22.4
135.08018	21.9
135.11693	7.9
137.09625	8.0
141.17601	3.0
143.08553	12.5
145.10101	15.4
147.08009	16.2
147.11665	9.1
149.09595	17.0
149.13226	3.6
151.07526	7.9
151.11154	6.0
157.10136	7.3
157.12047	2.8
158.55446	3.9
159.08107	7.6
159.11662	8.1
161.09612	19.7
161.13200	3.1
163.11176	6.7
165.09090	3.4
171.11664	8.9
172.95483	2.6
173.13255	2.9
175.11172	13.7
177.09059	2.9
185.13272	6.0
189.12726	9.0
199.68205	2.6
203.14325	2.8
213.12762	6.1
213.16365	2.6
227.17967	5.0
231.13829	6.5
232.14107	3.1
245.19019	9.4
255.17491	6.2
263.20175	7.5
270.13116	3.0
273.18491	59.6
273.21231	4.6
291.19571	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	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.55310	0.2
52.37566	0.2
53.03938	0.5
54.61314	0.2
55.01864	2.0
55.05509	7.9
57.03436	0.5
57.07053	0.3
57.88931	0.2
59.04999	0.3
59.70899	0.2
65.03920	0.6
67.05167	0.3
67.05498	4.7
69.03417	0.9
69.07065	3.2
69.20647	0.2
70.07275	0.8
70.07692	0.3
71.04977	0.8
72.62275	0.3
79.05055	0.4
79.05491	6.8
81.03432	0.5
81.06573	0.4
81.07053	7.2
83.04977	1.2
83.08611	3.7
83.28265	0.2
85.06532	0.3
86.09692	0.4
89.64690	0.3
91.05479	6.8
93.06463	0.3
93.07042	5.6
95.04966	3.2
95.08613	2.9
96.27306	0.2
97.02914	0.3
97.06526	0.7
97.10170	3.4
101.06037	0.3
101.09685	0.2
103.05481	0.4
104.10732	0.9
105.03365	0.3
105.07024	5.7
107.04955	2.8
107.08591	3.1
108.05721	0.5
109.06530	1.0
109.10126	0.9
111.08083	0.4
115.05470	0.5
116.06244	0.5
117.07029	3.0
118.87950	0.2
119.04933	1.7
119.08575	4.8
120.05721	0.4
121.06499	1.6
121.10129	1.7
123.08054	1.0
123.11686	0.3
125.00013	0.5
125.09614	2.2
128.06175	0.4
129.06976	1.6
130.07780	0.8
131.08572	3.2
132.05650	0.4
133.06483	3.3
133.10132	1.4
134.07277	0.6
135.08055	1.0
135.11656	0.6
137.09613	0.5
142.07800	0.3
143.08534	1.9
144.09367	0.4
145.06447	0.4
145.10107	2.9
147.08029	4.4
147.11726	0.4
148.08827	0.3
149.09601	1.4
149.54869	0.6
157.10126	1.1
158.55426	1.1
159.08072	0.4
159.11699	0.9
161.09641	1.4
161.13303	0.3
162.10411	1.2
163.11153	1.0
165.09050	0.4
169.10110	0.4
171.11687	0.5
173.09576	0.3
175.11197	0.8
181.02588	0.3
184.07469	0.3
185.09595	0.3
185.13164	0.3
189.11237	0.9
202.16057	0.2
223.13271	1.5
227.17833	0.3
232.10002	0.3
240.09949	0.7
242.06583	0.3
245.18945	0.3
249.14854	1.8
255.17368	0.7
261.14856	0.5
270.64972	0.4
273.18481	4.7
280.07764	0.3
291.19525	100.0
292.19772	1.9
298.08813	0.2
301.20038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03931	1.3
55.01859	2.0
55.05511	4.8
57.03431	2.1
57.07063	3.3
59.04982	2.7
61.56527	0.9
62.34832	0.9
64.91986	1.0
67.05497	6.0
69.03421	2.4
69.07053	2.7
71.04980	3.2
73.53032	0.7
77.13956	0.9
79.05505	6.0
81.03394	0.9
81.07050	9.5
83.04983	1.5
83.08609	3.8
85.02904	1.5
85.06523	2.0
87.04408	0.9
91.05466	6.0
93.07030	11.4
95.04976	4.6
95.08596	15.1
97.06542	4.6
105.07030	11.3
107.04928	4.9
107.08605	7.7
109.06508	13.6
109.10159	4.0
111.08073	26.7
113.06016	1.1
113.09617	1.3
117.07011	2.7
119.08581	9.9
121.06509	2.1
121.10152	7.9
122.07327	1.5
123.08065	35.4
123.11723	1.5
125.05918	0.8
125.09599	1.7
129.06921	1.3
130.07741	1.6
131.08527	5.3
133.06473	2.7
133.10132	9.2
135.08055	6.9
135.11685	3.0
137.09602	3.8
143.08537	3.7
144.09282	1.0
145.10117	15.4
147.07982	4.5
147.11676	7.7
149.09618	5.8
149.13220	1.0
151.07532	100.0
153.09096	1.4
156.09341	1.5
157.10126	5.4
157.52795	0.9
159.08073	2.4
159.11670	4.0
161.09593	6.6
161.13229	2.7
163.11143	4.4
165.09076	1.7
171.11705	4.1
173.13228	5.0
174.10397	1.8
175.11249	4.4
177.09108	2.6
177.12779	2.1
179.10637	5.1
181.09955	1.0
185.09454	1.1
185.13341	1.7
187.11166	3.6
187.14749	1.3
189.12740	29.8
191.14355	5.0
192.11449	3.5
197.11690	15.1
197.13289	2.8
203.14337	3.0
205.12347	1.1
207.06389	1.1
207.13789	68.8
213.16420	1.8
213.18535	1.1
215.14203	4.7
217.12286	2.8
217.15857	1.2
218.65634	0.9
231.17308	1.8
233.15358	19.8
235.13242	2.1
237.16414	1.2
255.17462	3.9
273.18460	13.4
291.19537	68.8
291.26620	2.3
292.20035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.43124	0.7
53.03945	1.0
54.55441	0.8
55.01863	2.0
55.05304	0.8
55.05510	9.5
56.44286	0.8
57.03415	1.4
57.07058	2.7
59.04993	3.5
65.03939	1.0
67.05507	7.5
69.03402	4.1
69.07047	3.4
70.79492	2.8
71.04999	4.8
72.08128	2.2
79.05116	1.4
79.05497	12.5
81.03430	0.9
81.07059	11.6
83.04989	4.3
83.08611	10.4
85.02918	2.1
85.06538	3.5
87.04448	1.1
91.05476	8.6
93.07049	15.7
95.04988	7.0
95.08607	21.3
97.06521	7.2
105.07025	12.3
107.04954	18.9
107.08586	12.7
108.05777	1.1
109.06503	9.9
109.10132	4.0
111.04462	1.1
111.08082	43.1
113.09628	2.8
117.06995	2.5
119.08583	12.4
121.06450	1.5
121.10150	10.2
122.07271	2.1
123.07170	2.0
123.08073	39.8
123.11668	2.0
125.09620	2.9
127.03902	1.3
129.07039	1.9
130.07819	1.1
131.08562	9.3
133.02818	1.0
133.06537	4.2
133.10143	10.9
135.08075	8.9
135.11665	4.3
137.05908	0.9
137.09618	4.1
142.07716	1.6
143.08572	2.8
145.10129	7.3
147.04436	2.0
147.08043	3.3
147.11700	7.6
149.09634	7.5
149.13286	2.1
151.07541	100.0
155.10661	3.1
156.09322	2.6
157.10089	5.1
158.10915	1.0
159.08049	2.2
159.11649	1.3
161.09651	4.3
163.11163	3.3
165.09079	1.6
167.07036	1.7
169.10201	1.3
169.12242	1.9
171.11717	5.2
173.09648	2.1
173.13289	10.4
174.10419	2.0
175.11194	6.1
177.09096	2.5
179.10678	5.2
181.12248	2.4
181.37244	1.0
182.11014	1.2
185.13286	1.2
187.14696	1.0
189.12735	29.0
191.10620	1.7
191.14314	19.5
192.11414	4.3
193.12236	1.5
197.11716	17.6
197.13283	2.3
203.14183	1.1
205.12230	1.1
206.28435	0.9
207.13800	69.0
211.13220	1.9
213.16373	1.4
215.14436	4.5
217.12196	4.2
231.17445	3.5
233.15367	58.1
235.13200	2.6
249.18484	2.1
255.17361	3.7
269.10605	1.5
273.18484	9.9
287.11636	1.6
291.19537	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02996	1.0
55.05505	4.2
60.05630	1.3
67.05500	0.8
69.07076	0.6
69.88847	2.8
70.06587	6.2
72.08150	29.7
73.04034	1.7
77.03914	2.4
78.55361	0.6
79.05490	0.9
85.02911	0.6
89.10782	1.6
91.05472	1.6
93.21259	0.6
95.04957	0.8
97.06524	1.4
97.07652	6.1
98.06052	3.2
98.97571	0.9
105.03380	8.3
106.06528	2.4
107.04942	3.0
110.02376	0.9
112.08787	0.6
114.09538	1.0
114.10291	13.1
115.07940	1.0
115.08685	11.1
117.22784	0.6
119.04932	5.5
120.58931	1.0
121.02933	0.7
122.06012	2.5
123.04423	1.7
124.16080	0.6
127.01927	0.6
128.11845	5.5
129.10216	2.4
130.06488	0.7
131.12900	1.6
132.04395	1.1
132.54076	0.6
133.02843	62.1
134.03621	1.5
134.06003	24.3
145.05003	0.6
147.04398	41.3
148.04816	0.7
150.05492	8.2
151.03850	0.9
152.07019	0.7
157.10872	0.8
160.07532	1.0
161.02295	1.1
162.05505	4.8
163.03893	1.4
175.12309	0.9
176.10695	1.2
177.05342	0.7
178.05046	1.1
187.53764	0.7
190.04932	1.0
194.16190	0.7
201.10222	2.0
203.11783	14.4
204.10194	59.5
205.10577	1.6
217.13377	4.3
218.11525	6.7
221.12819	3.3
232.09668	2.6
233.10381	0.8
235.14430	2.3
245.12836	0.8
246.12376	17.9
248.14839	1.2
250.97136	0.6
259.09644	0.7
260.14032	1.1
263.15021	100.0
264.15295	2.8
273.12375	0.7
273.15900	1.6
274.12180	0.7
274.15475	2.7
281.11874	0.6
282.65460	0.9
291.14468	73.7
291.18073	26.2
292.15082	6.8
295.63531	0.7
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	Mesembrine
Peak:m/z	Relative Intensity
52.21336	1.1
55.05497	4.6
56.96566	3.3
57.07070	3.1
58.06593	2.5
67.05499	9.9
69.03405	1.5
69.07053	4.3
69.47095	11.6
74.32851	1.3
79.05482	5.5
81.07043	5.0
82.06562	2.2
83.04967	1.8
84.04502	2.6
85.02843	1.7
88.07613	7.5
91.05460	4.1
92.05789	1.6
93.07024	5.8
94.07401	1.5
95.08601	3.1
97.06525	3.2
97.53041	1.2
105.07019	4.4
106.07420	1.7
107.08570	3.9
109.06503	1.6
110.06029	26.3
111.04415	11.2
117.07008	1.5
119.08558	4.3
120.08867	1.9
122.08183	1.5
123.04420	2.7
126.05512	2.4
127.03829	1.6
131.08566	3.0
131.16615	1.7
135.08005	1.5
135.11705	3.4
138.05489	100.0
143.08525	2.5
145.10054	1.7
148.12035	1.5
157.10172	1.9
185.13269	2.5
192.09941	1.2
212.55338	1.2
226.11113	5.3
228.80522	1.3
230.16286	2.3
231.13725	8.9
242.24718	7.0
244.12198	5.8
267.08997	3.4
285.09976	2.6
290.17636	11.0
290.21851	5.0
290.26904	23.7
290.29669	1.8
291.19543	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69859	5.3
55.01858	5.1
55.05502	11.0
56.96555	37.5
57.03442	5.3
58.06597	5.2
67.05502	5.3
67.98365	4.4
69.03424	13.0
69.07076	4.9
70.06583	27.7
70.88316	15.9
72.08150	41.5
73.02915	9.2
75.36370	5.4
80.05010	8.2
81.03419	8.9
81.07042	13.7
82.06577	11.1
83.05000	5.4
83.08599	6.7
84.04500	18.6
84.08131	20.9
85.02910	24.4
85.06538	7.3
86.06058	6.4
90.75419	4.5
91.05466	7.7
94.06551	7.1
96.08115	7.4
97.02890	21.1
98.06068	9.5
98.09709	9.3
98.97568	70.1
110.06020	7.8
111.04420	7.8
112.07600	24.3
112.11208	8.0
116.98618	63.6
117.98866	4.7
119.04964	11.6
120.08200	4.7
120.52867	4.5
122.05982	5.5
123.04427	13.3
126.09184	8.1
127.03908	9.1
128.98618	12.3
129.05455	12.0
129.13806	5.0
130.08661	7.8
134.99646	40.3
136.07584	6.4
139.03909	20.8
144.10165	6.7
146.05899	5.4
146.08171	10.3
146.99640	14.7
147.03386	6.2
147.04376	25.0
152.12891	5.2
153.00751	6.0
155.04672	6.7
156.10194	5.1
158.99605	15.7
161.01230	6.3
162.05513	5.7
162.11220	7.4
164.05199	5.5
170.99678	7.3
174.11371	8.5
177.00710	45.2
184.27000	4.4
189.04298	9.2
218.11652	5.8
219.01772	16.5
237.02899	38.9
245.12885	5.2
263.00375	4.4
273.12109	9.7
273.14700	6.9
285.06503	5.1
290.59924	5.5
291.08292	61.5
291.13416	100.0
291.16934	44.8
291.20279	8.3
291.23834	11.1
298.16348	5.3
309.08554	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	289.2522
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.46718	0.5
52.29177	0.5
53.03939	0.8
54.68912	0.5
55.01864	1.3
55.05504	7.5
55.76664	0.5
57.03416	1.6
57.04650	0.4
57.07067	2.8
61.02914	1.0
61.37686	0.6
65.03939	0.8
67.05499	13.3
68.99798	0.6
69.03415	2.7
69.07062	12.8
71.04971	1.1
71.08632	0.7
71.63042	0.8
73.02912	0.9
76.41314	0.5
79.05482	9.5
81.03387	1.4
81.07048	36.7
82.07413	0.6
83.04977	0.8
83.08611	4.6
84.04489	1.1
85.02902	4.7
85.06533	8.9
89.03925	0.6
91.03932	0.5
91.04951	0.8
91.05477	8.9
93.07038	19.3
95.04948	2.1
95.08597	33.4
97.02878	2.2
97.06520	2.2
97.10162	3.0
99.04449	1.2
99.08083	6.0
105.07024	16.9
105.07748	0.8
107.04977	0.5
107.08585	19.8
109.02862	1.4
109.06531	1.3
109.10147	20.8
111.00734	0.6
111.04473	0.6
111.08051	1.5
111.11726	1.6
113.09637	2.2
117.03368	0.7
117.07011	2.1
119.01910	0.7
119.04956	0.7
119.08572	17.2
121.06484	0.8
121.10137	14.2
121.11028	0.8
123.04455	3.0
123.08069	0.8
123.11703	8.5
125.09609	2.6
127.03905	100.0
127.11211	0.5
128.04243	2.0
128.06206	0.5
129.07039	0.7
131.08543	5.0
133.10127	14.5
135.04413	1.9
135.11679	11.6
137.09569	0.7
137.13205	3.0
139.03920	0.6
139.11156	2.2
145.02853	1.6
145.05006	0.9
145.10110	8.9
147.04382	1.2
147.11673	15.0
149.06020	0.6
149.13245	9.3
151.03838	0.7
151.11086	0.7
151.14807	0.9
153.00552	0.7
153.01805	12.9
153.05466	2.2
153.16817	0.5
157.10117	0.9
159.11679	8.7
161.13245	12.8
163.03896	8.3
163.14801	6.1
165.12740	0.9
169.01297	1.3
171.02913	1.3
173.13249	6.7
175.14807	10.8
177.12701	0.5
177.16360	2.7
179.03404	0.8
179.14290	1.6
185.13196	0.6
187.14749	4.7
189.16362	6.6
191.17928	1.7
193.15862	1.6
195.17386	0.6
197.13161	0.6
201.16307	4.0
203.03346	0.6
203.17950	1.8
215.17978	4.9
217.19444	1.0
219.17438	1.0
229.19534	1.9
231.21025	0.8
233.18930	1.1
245.22603	0.6
247.20665	0.5
271.05945	1.2
271.16876	1.2
271.24185	13.0
289.07007	11.0
289.10718	2.5
289.18213	1.4
289.25229	57.5
290.25620	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	289.2523
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.24150	0.8
55.01855	1.9
55.05505	11.7
57.03416	1.7
57.07069	4.2
61.02909	0.9
67.05497	25.8
69.03401	3.3
69.06711	1.4
69.07063	20.7
70.69114	2.6
71.04983	1.3
71.08620	1.3
79.05486	14.2
81.07048	61.9
81.09039	0.9
83.08609	6.4
84.04494	1.2
85.02884	5.8
85.06054	1.4
85.06534	17.5
91.05471	15.2
93.07036	33.8
93.11543	0.9
95.04948	3.1
95.08595	56.3
95.91098	0.8
96.08945	1.0
97.02880	1.4
97.06506	3.5
97.10177	4.4
99.08081	11.3
103.55422	0.8
105.07019	30.2
107.08580	29.6
109.06474	1.5
109.10144	29.7
111.08062	3.1
111.11683	2.6
113.09647	5.3
117.07019	2.8
119.08563	25.9
121.09308	1.7
121.10129	23.2
123.11709	11.5
125.09615	3.7
127.03904	88.0
128.04213	2.9
129.06992	0.9
131.08554	7.5
133.10120	25.8
135.11681	18.8
137.13235	3.1
139.11136	3.0
145.04868	1.2
145.10101	15.1
147.10486	1.2
147.11668	23.4
149.13237	17.6
151.02696	0.9
159.11681	13.7
161.13231	26.1
163.14809	10.0
165.12706	1.5
173.13240	10.1
175.14810	16.2
177.16316	2.6
179.14278	2.4
181.15823	1.0
187.14796	8.3
189.16359	12.9
189.17899	1.3
191.17882	2.8
193.15860	3.3
195.17577	1.3
201.16371	7.1
203.17926	3.3
207.17471	2.1
208.54648	0.9
215.17924	7.5
217.19432	2.4
219.17369	2.1
229.19582	1.9
231.21100	1.8
233.18953	1.8
243.21295	1.2
247.20564	1.0
271.24200	16.0
289.10748	4.4
289.25223	100.0
290.25546	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	289.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.05504	3.9
55.18525	0.9
57.03423	1.2
57.07067	1.6
61.02917	1.8
67.05506	6.5
68.99775	1.4
69.03426	8.5
69.07064	4.2
69.38443	9.4
71.04979	1.5
72.08155	5.1
73.02909	2.3
79.05489	4.9
81.03400	2.9
81.06278	0.8
81.07055	6.4
83.04976	3.6
83.08639	1.1
84.08125	3.4
85.02892	10.1
85.06545	2.0
86.06033	1.4
86.09696	1.2
91.05456	5.1
93.07033	5.5
95.01256	0.9
95.04953	7.3
95.08591	5.2
97.02876	5.7
97.06525	1.9
98.97586	1.0
99.04445	2.5
99.08092	1.7
101.05992	1.5
101.45724	1.1
105.07015	8.5
107.04971	5.3
107.08572	6.3
109.02892	2.8
109.06491	2.2
109.10150	12.3
111.04453	3.2
113.06023	1.6
117.07030	3.3
119.04918	1.4
119.08565	10.2
121.02859	1.1
121.06480	4.5
121.10148	6.8
123.04448	5.1
123.08058	1.6
125.06029	1.3
125.07115	1.2
125.09645	2.4
126.05439	1.3
127.03905	100.0
128.04227	2.6
128.06174	1.9
128.10738	1.9
129.06978	4.1
131.08580	6.1
133.02826	1.6
133.06494	1.9
133.10112	7.7
135.04430	2.5
135.08023	2.1
135.11664	2.8
137.05939	1.2
137.09630	1.3
139.03903	2.6
140.07071	2.2
141.07016	2.1
142.07759	2.6
143.06992	1.0
143.08575	6.7
145.06454	2.1
145.10129	9.6
147.04399	3.9
147.08041	4.2
147.11674	3.5
148.07571	2.9
149.02356	3.0
149.05972	3.1
149.08322	8.1
149.09439	1.3
150.09088	1.8
151.03914	1.3
151.07581	1.8
153.01814	10.4
154.02180	1.3
155.02328	1.3
155.08528	3.1
156.09332	1.2
157.10129	7.2
158.10886	1.6
159.08073	3.3
159.11668	5.8
161.09671	1.9
161.13286	0.9
163.03905	3.6
163.07600	1.3
165.09087	1.1
165.42609	1.0
167.07062	1.8
167.08530	2.6
168.09398	1.6
169.01343	3.0
169.08846	1.3
169.10066	4.9
171.02831	1.0
171.08026	9.0
171.11676	4.3
173.09645	2.7
173.13229	8.9
174.02615	1.5
175.11203	1.8
175.14806	3.3
179.03450	1.7
181.10106	3.3
183.08028	1.4
183.11703	3.3
185.09622	3.9
185.13182	5.0
186.10287	1.2
187.02438	1.0
187.04312	1.0
187.11182	2.4
187.14836	3.7
193.08620	1.1
195.11618	1.5
197.09683	1.7
197.13312	3.2
198.12793	1.3
199.14751	5.9
200.14330	1.5
201.09029	2.3
201.12766	2.6
209.09695	1.0
211.14848	2.8
212.10622	1.3
215.07048	4.1
215.10704	2.8
215.14362	1.4
219.05441	2.2
219.10085	2.0
225.16406	2.6
226.12225	8.8
228.13875	1.6
229.12180	1.5
229.15764	2.0
231.13747	1.4
235.16971	1.4
241.15895	2.8
243.06494	4.3
243.14890	3.6
243.17354	1.4
245.15207	1.1
253.15790	2.2
253.18149	2.3
254.11766	1.6
259.16821	1.1
271.05972	4.8
271.10504	1.0
271.16907	11.4
272.12857	3.9
272.28214	1.3
288.62408	1.1
289.06467	14.8
289.09967	1.1
289.11917	1.9
289.15320	11.8
289.18015	36.4
290.15759	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	289.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.05504	3.9
55.18525	0.9
57.03423	1.2
57.07067	1.6
61.02917	1.8
67.05506	6.5
68.99775	1.4
69.03426	8.5
69.07064	4.2
69.38443	9.4
71.04979	1.5
72.08155	5.1
73.02909	2.3
79.05489	4.9
81.03400	2.9
81.06278	0.8
81.07055	6.4
83.04976	3.6
83.08639	1.1
84.08125	3.4
85.02892	10.1
85.06545	2.0
86.06033	1.4
86.09696	1.2
91.05456	5.1
93.07033	5.5
95.01256	0.9
95.04953	7.3
95.08591	5.2
97.02876	5.7
97.06525	1.9
98.97586	1.0
99.04445	2.5
99.08092	1.7
101.05992	1.5
101.45724	1.1
105.07015	8.5
107.04971	5.3
107.08572	6.3
109.02892	2.8
109.06491	2.2
109.10150	12.3
111.04453	3.2
113.06023	1.6
117.07030	3.3
119.04918	1.4
119.08565	10.2
121.02859	1.1
121.06480	4.5
121.10148	6.8
123.04448	5.1
123.08058	1.6
125.06029	1.3
125.07115	1.2
125.09645	2.4
126.05439	1.3
127.03905	100.0
128.04227	2.6
128.06174	1.9
128.10738	1.9
129.06978	4.1
131.08580	6.1
133.02826	1.6
133.06494	1.9
133.10112	7.7
135.04430	2.5
135.08023	2.1
135.11664	2.8
137.05939	1.2
137.09630	1.3
139.03903	2.6
140.07071	2.2
141.07016	2.1
142.07759	2.6
143.06992	1.0
143.08575	6.7
145.06454	2.1
145.10129	9.6
147.04399	3.9
147.08041	4.2
147.11674	3.5
148.07571	2.9
149.02356	3.0
149.05972	3.1
149.08322	8.1
149.09439	1.3
150.09088	1.8
151.03914	1.3
151.07581	1.8
153.01814	10.4
154.02180	1.3
155.02328	1.3
155.08528	3.1
156.09332	1.2
157.10129	7.2
158.10886	1.6
159.08073	3.3
159.11668	5.8
161.09671	1.9
161.13286	0.9
163.03905	3.6
163.07600	1.3
165.09087	1.1
165.42609	1.0
167.07062	1.8
167.08530	2.6
168.09398	1.6
169.01343	3.0
169.08846	1.3
169.10066	4.9
171.02831	1.0
171.08026	9.0
171.11676	4.3
173.09645	2.7
173.13229	8.9
174.02615	1.5
175.11203	1.8
175.14806	3.3
179.03450	1.7
181.10106	3.3
183.08028	1.4
183.11703	3.3
185.09622	3.9
185.13182	5.0
186.10287	1.2
187.02438	1.0
187.04312	1.0
187.11182	2.4
187.14836	3.7
193.08620	1.1
195.11618	1.5
197.09683	1.7
197.13312	3.2
198.12793	1.3
199.14751	5.9
200.14330	1.5
201.09029	2.3
201.12766	2.6
209.09695	1.0
211.14848	2.8
212.10622	1.3
215.07048	4.1
215.10704	2.8
215.14362	1.4
219.05441	2.2
219.10085	2.0
225.16406	2.6
226.12225	8.8
228.13875	1.6
229.12180	1.5
229.15764	2.0
231.13747	1.4
235.16971	1.4
241.15895	2.8
243.06494	4.3
243.14890	3.6
243.17354	1.4
245.15207	1.1
253.15790	2.2
253.18149	2.3
254.11766	1.6
259.16821	1.1
271.05972	4.8
271.10504	1.0
271.16907	11.4
272.12857	3.9
272.28214	1.3
288.62408	1.1
289.06467	14.8
289.09967	1.1
289.11917	1.9
289.15320	11.8
289.18015	36.4
290.15759	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	289.1545
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
51.56718	0.6
55.05507	1.1
56.05042	1.3
58.06586	0.8
60.01194	0.5
60.19472	0.6
64.71187	0.5
65.03920	1.0
67.05495	1.4
68.99775	0.7
69.03370	0.8
70.06607	1.1
70.75041	1.8
72.07865	0.4
72.08154	5.0
73.65788	0.5
79.05491	1.1
80.05002	1.4
81.03397	0.7
81.07053	1.2
85.02885	0.7
86.24188	0.5
91.05482	1.5
92.05029	0.6
93.03396	1.0
93.07030	4.9
93.32384	0.5
94.06537	0.8
95.04951	1.7
95.08608	0.7
96.04469	0.6
97.02881	0.8
98.09680	5.4
99.04464	1.3
107.04921	2.7
107.08575	1.1
108.04511	0.5
109.02863	0.8
109.05238	2.0
110.06034	8.1
111.04427	3.5
117.05790	0.7
119.04897	0.6
121.02858	1.0
122.05995	1.4
123.04416	9.2
126.05523	3.0
126.06386	0.6
127.03907	7.1
130.06477	1.1
131.04860	0.7
132.04378	0.8
134.06036	1.4
134.09656	3.3
135.04405	9.0
136.11201	16.0
137.02339	1.1
139.02902	1.0
139.03889	11.8
144.08089	2.2
145.05215	1.0
145.06479	0.6
145.08865	4.8
146.05988	3.7
147.04393	1.8
147.06783	0.7
148.07529	3.0
149.02307	3.5
149.08327	0.5
151.03871	3.7
152.07053	1.1
153.01794	2.6
158.05968	1.7
160.07545	2.4
162.09055	1.3
163.03876	3.0
163.48186	0.6
165.64865	0.6
167.03465	0.9
169.98456	0.5
172.07558	1.5
172.11182	7.8
174.09140	7.6
182.09621	0.6
184.07689	0.6
185.08328	1.4
188.10689	3.6
190.12387	0.8
198.09151	2.7
200.10689	56.9
201.11034	1.9
202.12273	16.3
203.12685	0.6
215.07072	1.9
215.11723	1.6
218.11880	0.8
226.12158	0.6
228.13826	2.7
229.13371	2.6
231.06619	0.6
241.32932	0.8
243.06505	2.5
243.14912	13.8
244.15271	0.8
245.16476	68.2
246.16837	3.0
253.13329	5.2
259.05991	1.4
261.07623	0.9
271.05991	2.1
271.14401	14.0
272.14786	0.9
289.06961	3.4
289.15436	100.0
290.15799	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	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03939	0.4
53.98351	0.2
55.01858	0.3
55.05494	0.4
57.03424	0.5
61.02914	0.8
69.03421	1.6
69.24954	0.2
70.06578	0.7
71.23000	0.2
71.23310	0.2
72.08146	2.5
73.02911	0.3
77.21618	0.2
81.03418	1.2
85.02897	4.9
86.09688	0.2
87.04445	0.2
89.10799	0.2
91.03945	0.3
91.05448	0.2
97.02870	1.6
98.06057	0.3
99.04446	0.4
107.04960	0.2
109.02868	0.7
119.04931	0.2
127.03905	100.0
128.04221	1.1
145.04938	0.7
147.04396	1.6
148.04718	0.5
163.03903	0.5
173.26534	0.2
174.48816	0.2
218.11774	0.7
289.07040	0.3
289.12555	0.7
289.15479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1546
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
50.23905	0.2
50.56821	0.3
53.03938	0.6
55.01873	0.4
55.05506	1.3
57.03434	0.7
57.07046	0.3
60.79268	0.3
61.02914	0.9
66.54813	0.3
67.05504	1.6
69.03431	2.0
69.07060	1.9
69.43161	3.1
70.51340	0.3
71.04989	0.3
72.08147	0.5
74.43483	0.3
77.03978	0.4
79.05495	1.9
80.08435	0.3
81.03403	0.9
81.07053	4.3
81.83958	0.3
83.04967	0.4
83.08611	0.4
84.04478	0.4
85.02908	5.4
85.06545	0.5
91.05489	3.6
92.06306	0.3
93.07050	2.5
94.06566	0.8
95.04965	0.6
95.08610	2.7
96.08154	1.4
97.02881	2.4
97.06530	0.4
97.10179	0.5
98.21554	0.6
99.04455	0.5
100.18863	0.4
103.05495	0.3
105.07023	2.1
106.06566	1.5
107.04939	0.4
107.08591	2.1
108.08100	0.6
109.02887	0.8
109.06534	0.3
109.10155	2.0
111.08054	0.4
116.05002	0.3
117.05764	0.6
117.07020	0.4
118.06543	3.6
119.07310	0.6
119.08593	2.3
120.08112	8.6
121.06481	0.3
121.10117	1.5
122.09683	0.4
123.04419	0.6
123.11703	1.2
124.07596	8.0
125.09599	0.3
126.09132	0.5
127.03913	100.0
127.97220	0.3
128.04239	2.4
131.08557	0.9
133.10133	1.6
134.06004	3.4
135.08078	0.5
135.11708	1.1
136.07571	4.0
138.05490	1.5
143.08533	0.7
145.04948	1.0
145.10150	1.2
146.05965	2.7
147.06787	1.6
147.11690	1.4
148.07581	6.4
149.13260	0.9
150.09172	0.7
151.07542	0.4
152.07079	1.0
153.01833	0.5
157.10138	0.4
159.08028	0.8
159.11691	0.9
160.60365	0.4
161.13240	0.8
163.03908	0.5
164.07066	64.4
165.07471	1.5
166.08646	1.8
169.01315	0.8
171.08076	0.6
173.13245	0.6
175.14806	0.6
180.06450	0.4
191.74748	0.3
200.10693	0.4
214.11002	0.6
215.15450	1.1
215.17953	0.5
216.10188	1.7
228.10255	0.6
229.13281	0.8
243.14922	3.7
245.16518	1.8
253.13326	0.8
254.11870	0.5
271.06009	0.5
271.14423	14.5
271.16885	0.6
271.24188	0.9
272.14877	0.4
289.06918	1.1
289.15457	56.8
289.17899	2.1
289.25186	4.1
290.16202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Monodictyphenone
Peak:m/z	Relative Intensity
53.03936	1.7
54.43898	0.9
55.01862	1.8
55.05495	2.1
65.03938	1.0
67.05492	3.3
68.99414	0.6
68.99769	1.1
69.03430	6.1
69.07044	0.8
69.50262	6.6
70.06590	1.7
70.46942	0.6
71.04982	1.6
72.08147	6.6
73.02902	0.9
79.05488	1.5
81.03419	8.1
81.07037	1.4
83.04986	1.4
84.08135	3.1
85.02898	7.1
85.06516	1.9
86.09705	1.6
86.50866	0.7
89.03941	0.8
91.05476	2.7
91.80199	0.7
93.07037	1.3
95.04961	11.3
95.08589	2.0
96.04474	1.4
97.02892	4.7
97.06531	0.6
98.06036	1.0
98.09653	1.1
99.04447	1.7
103.03926	1.3
103.05424	0.9
105.03384	2.5
105.07045	1.6
105.75831	0.7
107.04934	4.5
107.08601	1.6
109.02872	2.4
109.06493	1.0
109.10116	3.5
111.04433	2.0
115.05442	1.2
117.07030	0.7
119.04908	1.1
120.08105	2.7
121.06473	1.0
121.10147	1.2
123.04420	54.0
125.09616	6.1
127.03906	93.6
128.10736	0.8
129.07027	0.9
131.08578	0.8
132.08415	0.8
133.02852	2.2
133.10147	1.3
134.03638	2.2
135.04416	3.8
137.02327	100.0
139.03879	2.7
141.06967	7.5
143.08563	0.7
145.04968	1.3
145.06453	1.2
145.10104	0.7
146.05972	0.8
147.04401	8.8
147.07932	1.1
148.04831	1.0
149.02347	1.9
149.06039	0.8
149.09599	1.2
151.03900	7.7
153.01796	4.3
155.73640	0.7
157.06670	0.7
161.02356	3.2
163.03864	1.6
163.11093	0.8
168.08055	1.4
169.06470	21.1
170.09622	4.9
171.02907	0.9
173.05983	0.9
179.03389	14.6
180.08144	0.9
181.06522	1.4
182.09659	1.2
187.07584	1.0
197.05971	21.7
210.09033	1.1
211.13297	2.9
212.07198	0.9
215.07014	91.1
216.07359	0.7
216.10194	4.8
218.11729	2.7
223.13344	1.2
225.05421	9.9
226.08649	0.8
242.05786	1.9
243.06508	66.1
253.14244	1.0
271.06018	20.0
271.10602	1.4
272.09186	1.8
289.04263	1.4
289.07123	17.6
289.11731	6.5
289.15698	4.2
289.18649	0.8
289.22821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0701
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.03934	0.6
55.01868	0.8
55.05507	0.8
57.03415	1.0
58.87009	0.4
61.02919	1.1
67.02544	0.4
67.05493	2.4
68.99771	0.8
69.03426	1.7
69.07057	1.2
69.93728	2.0
71.04989	0.6
72.08142	0.5
73.02914	0.8
79.05481	1.5
81.03402	1.5
81.07037	3.0
83.01305	0.5
83.04983	0.7
85.02899	5.9
91.05473	2.4
93.07032	2.4
95.04961	1.1
95.08607	2.4
97.02911	2.2
97.06519	0.4
105.07024	1.8
107.04951	2.3
107.08578	2.2
109.02879	2.0
109.06512	1.0
109.10165	4.3
111.08068	0.5
113.02346	0.5
119.04951	2.8
119.08570	2.1
121.06493	1.3
121.10150	1.9
123.00772	1.3
123.04420	1.4
123.08041	0.5
123.11690	1.0
123.46594	0.5
127.03908	100.0
128.04211	0.5
129.05579	0.5
129.06972	0.6
131.08569	1.2
133.10120	1.4
135.11673	1.1
137.09492	0.5
139.03914	0.7
143.08551	1.1
145.02754	0.6
145.06458	0.5
145.10103	1.6
147.04390	9.6
147.11662	1.1
149.05975	0.6
153.01808	6.4
153.06985	0.4
155.08607	0.5
157.10150	1.0
159.07970	0.6
159.11684	1.3
161.09686	0.6
161.13237	0.7
163.03931	2.7
163.14847	0.7
164.07043	0.7
169.01315	30.1
169.10162	0.8
170.01718	0.6
171.02934	1.7
171.08070	1.4
171.11697	0.7
173.09581	0.6
173.13264	1.0
179.03394	2.0
185.09612	0.4
186.01534	0.5
187.02426	4.6
187.14803	0.8
199.14799	0.5
215.10622	0.7
219.10204	0.7
220.12238	0.5
227.14345	0.5
229.04913	1.0
241.15982	0.7
253.15866	0.6
271.05991	1.5
271.16946	2.0
271.24176	0.6
272.06793	0.8
274.14417	0.4
286.43628	0.4
289.07056	33.8
289.10471	1.8
289.17941	5.3
289.21072	0.7
289.25040	2.8
290.07471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03939	1.4
55.01851	0.9
55.05491	3.1
56.48407	0.8
57.03428	1.1
64.39400	0.7
65.03923	0.9
67.01835	3.3
67.05502	8.7
68.99780	4.5
69.03427	4.3
69.06775	0.7
69.07066	8.3
69.49929	2.5
69.50352	4.3
71.04999	1.3
79.05478	6.7
81.03397	2.5
81.07047	18.1
83.05024	0.7
83.08591	2.6
85.02911	5.6
85.06520	3.1
89.03905	4.3
91.05495	4.9
92.77937	0.8
93.03400	0.9
93.07031	10.2
95.04956	3.8
95.08601	12.9
97.02882	2.9
97.06519	5.1
97.10151	1.3
99.04436	1.2
99.08071	1.7
105.07021	7.6
107.04926	3.8
107.08570	11.1
109.02877	1.5
109.06471	1.5
109.10159	10.0
111.00797	3.3
111.04427	3.2
111.11700	0.9
117.03366	6.2
117.07034	1.0
118.06522	1.1
119.04941	1.1
119.08576	6.4
120.08063	2.2
121.02846	2.0
121.06461	1.2
121.10116	6.3
123.04421	28.2
123.11687	5.3
124.07536	1.6
125.02346	0.9
125.05988	1.2
127.03905	99.1
129.06996	1.0
131.08563	2.4
133.10146	6.2
134.06027	0.8
135.04407	17.7
135.11655	6.2
136.07574	0.9
137.13237	2.3
139.03873	3.3
143.08542	0.9
145.02824	10.5
145.10107	4.9
146.05994	0.8
147.04410	1.8
147.11673	4.3
148.07593	1.7
149.02362	1.7
149.05997	2.7
149.13263	4.1
151.03874	3.0
153.01814	100.0
153.05435	16.6
153.06689	1.5
157.10103	0.9
159.04413	1.1
159.08104	0.8
159.11691	3.2
161.13245	4.4
163.03894	63.9
163.14738	3.7
164.07045	19.1
165.12764	0.9
166.78769	0.7
167.07033	2.2
169.01305	1.7
171.02884	8.3
173.13235	3.0
175.14775	3.8
177.05528	1.1
177.16364	1.9
179.03368	8.3
179.07121	1.1
187.03893	2.9
187.14793	1.3
189.16388	4.3
201.16388	2.7
203.03447	1.6
205.05016	1.2
207.17546	1.3
215.06995	2.1
215.17896	2.2
243.06412	1.7
243.14893	1.3
247.06085	1.3
253.04828	1.4
271.05975	7.6
271.14404	4.5
271.16971	1.0
271.24142	7.2
289.07080	97.5
289.10596	11.8
289.15463	15.5
289.18079	2.7
289.25226	26.0
290.07471	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	289.0704
Annotation	(+-)-Dalbergioidin
Peak:m/z	Relative Intensity
52.00868	0.6
55.01872	1.9
65.03926	1.4
67.01849	0.9
67.05480	2.5
68.26432	0.7
68.99467	1.0
68.99782	7.8
69.03419	0.8
69.07048	0.9
70.96246	2.0
71.08799	0.7
79.05472	1.9
81.03398	1.7
81.07029	1.5
83.04967	1.9
91.05466	2.6
93.07005	0.9
94.93547	0.6
95.04961	4.2
95.08587	1.6
100.12455	0.8
105.06993	1.2
107.04944	12.5
107.08576	0.8
107.91245	0.7
109.02870	1.4
109.10110	0.9
111.00778	1.4
111.04430	9.0
115.05466	0.7
119.04927	2.2
121.02847	0.9
121.10093	0.8
123.04416	71.9
124.04700	1.0
127.03905	34.5
131.04918	1.4
133.10132	0.7
135.04410	20.0
137.02319	3.0
139.03891	25.1
141.06963	1.5
145.06493	1.6
147.04411	0.8
149.02313	4.5
149.06026	0.9
151.03891	50.4
153.01813	16.1
155.03386	2.0
157.06485	1.0
159.04382	1.5
159.25249	0.6
161.05968	0.9
163.03891	17.4
167.03365	1.4
169.06477	1.5
173.05988	4.2
175.07504	1.6
177.05537	1.7
179.03383	45.9
187.03877	6.5
187.07478	1.0
187.62920	0.6
197.05910	3.6
199.35590	0.7
201.05457	7.9
203.03328	0.8
203.06952	3.5
215.07028	12.1
219.06438	0.7
225.05473	2.4
229.04915	3.9
243.06529	4.8
253.04974	1.6
261.07483	5.8
271.05988	86.5
272.06442	0.9
282.06097	0.7
289.07037	100.0
289.25168	1.5
290.07288	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	289.0705
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03928	1.1
55.01865	1.5
55.05505	1.8
57.03431	1.1
59.01505	0.8
61.02914	1.5
65.03930	1.0
67.01860	4.7
67.05494	2.5
68.99780	5.3
69.03414	6.3
69.75810	0.7
70.06581	1.2
71.04985	0.9
72.08156	4.3
79.05486	2.6
81.03400	2.5
81.07051	1.7
82.10802	0.7
83.01384	0.8
83.04973	1.7
84.08147	0.9
85.02904	5.4
85.06516	1.1
91.05455	3.5
93.07013	1.2
95.04956	3.6
95.08588	1.0
97.02881	3.8
98.09687	0.9
99.04470	1.1
104.07068	1.3
105.07020	1.4
107.04945	69.3
107.08573	1.5
109.02902	1.0
109.10139	3.3
111.04426	3.6
119.04935	3.3
119.08542	2.1
121.02860	9.2
121.10098	1.3
123.04419	6.6
125.09645	3.9
125.18359	0.8
127.03907	60.6
129.07007	0.9
131.04927	2.2
131.08524	1.6
133.06465	1.5
133.10106	1.9
135.04393	7.0
135.08000	0.9
135.99496	0.9
137.02304	6.9
139.03877	3.4
141.06975	3.0
143.08498	1.4
145.06436	1.4
145.10104	1.0
147.04398	6.2
147.08034	1.4
147.11678	1.2
148.07561	1.2
149.02330	64.7
153.01817	100.0
154.02066	0.8
157.10141	1.3
159.08044	1.3
159.11658	1.3
163.03883	4.4
167.03381	9.9
169.06497	6.1
170.09586	4.4
171.01520	1.5
171.02884	17.5
173.05911	1.6
175.14767	0.7
179.03400	1.0
180.08040	1.5
183.11739	1.1
185.13155	0.8
185.36424	0.8
186.05473	1.1
187.07533	1.4
195.02859	8.1
197.05992	8.8
199.14816	0.9
201.05487	1.3
210.09218	0.8
211.13202	1.1
215.07013	67.6
216.10168	4.0
225.05432	2.4
229.13251	0.9
229.15739	1.0
241.15680	0.8
242.05705	2.2
243.06512	59.2
271.05975	19.7
271.16803	1.6
272.06396	0.9
272.09097	2.3
289.07056	15.3
289.11652	2.1
289.15305	2.5
289.18036	6.6
289.22568	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.03939	1.0
53.99918	0.3
55.01864	1.1
55.05496	1.3
56.96548	0.7
57.03428	0.8
57.07050	0.5
61.02915	1.1
65.03943	0.7
65.07774	0.4
65.89610	0.4
67.05502	3.5
68.99786	2.2
69.03426	3.0
69.07059	2.2
69.81506	2.2
70.06579	0.8
71.04980	1.1
72.08149	0.9
73.02889	0.6
77.90022	0.3
79.05479	2.1
81.03400	1.9
81.07054	5.3
83.01269	0.4
83.04980	0.7
83.08600	0.8
85.02898	5.6
85.06512	0.6
89.21674	0.3
91.05485	2.0
93.07045	2.4
95.01266	0.3
95.04935	2.4
95.08601	4.2
97.02894	2.3
97.06516	1.3
97.10140	0.3
98.21494	0.4
99.04447	1.3
105.07025	2.7
107.04955	3.2
107.08582	3.1
109.02864	1.3
109.06523	1.0
109.10148	4.1
111.04412	2.9
111.08060	0.5
115.05476	0.4
116.07106	0.6
116.38142	0.3
116.98626	0.3
117.06997	0.5
119.04950	1.2
119.08562	2.1
121.06486	0.6
121.10126	2.1
121.16325	0.3
123.04420	20.6
123.08035	0.5
123.11693	0.7
125.09621	0.4
127.03907	100.0
128.04228	0.4
128.06178	0.5
129.06984	0.5
131.04912	0.5
131.08549	0.8
133.10126	1.8
135.04410	5.8
135.08060	0.5
135.11723	1.9
137.02319	0.7
137.05992	0.6
137.13245	0.4
139.03896	6.4
143.08563	0.9
145.04939	0.9
145.06456	0.7
145.10117	1.3
147.04340	2.0
147.08023	0.5
147.11667	1.0
149.02339	1.4
149.06007	0.6
149.13243	1.1
150.98253	0.3
151.03889	13.3
151.07542	0.4
153.01820	5.5
155.03398	0.7
157.06476	0.4
157.10210	0.4
159.04382	0.6
159.08046	0.6
159.11697	1.4
161.05960	0.5
161.13234	1.1
163.03883	5.1
163.14778	0.5
169.01376	1.6
169.06512	0.5
169.10176	0.6
171.02895	0.5
171.08076	1.1
171.11754	0.8
173.05978	1.1
173.09605	0.6
173.13237	1.2
175.07507	0.9
175.14857	1.0
177.05357	0.8
179.03395	12.1
185.09642	0.5
187.03900	1.7
189.16293	0.6
197.05965	1.5
197.13185	0.5
199.11559	0.4
199.14790	0.5
201.05449	2.4
201.09244	0.6
203.07080	0.7
208.12210	0.4
215.07077	3.0
225.05371	0.5
229.04906	0.9
229.08682	1.0
241.15665	0.6
243.06570	1.4
261.07617	1.7
271.06003	22.9
271.13846	0.7
271.16977	1.2
271.24185	0.8
272.06311	0.5
280.14383	1.4
289.07053	36.5
289.10434	1.5
289.14752	2.7
289.18124	3.5
289.25116	3.7
289.65170	0.8
290.07483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	(+-)-Dalbergioidin
Peak:m/z	Relative Intensity
52.70911	0.4
53.03937	0.5
55.01867	1.3
55.05496	1.1
56.54710	0.4
56.96574	1.1
61.02914	1.0
63.70208	0.4
64.54628	0.4
65.03933	1.0
67.01859	0.5
67.05502	2.7
68.99789	4.2
69.03420	2.4
69.07066	1.0
69.50726	0.6
69.51138	3.3
71.01358	0.5
71.04988	0.5
71.15042	0.4
72.08146	1.3
77.68529	0.4
79.05508	1.9
81.03414	1.9
81.07058	2.4
83.04980	1.3
85.02897	5.4
85.06539	0.9
91.05477	2.6
93.07035	2.7
95.04958	3.0
95.08591	2.5
95.98183	0.4
97.02886	1.8
97.06519	0.5
98.97584	0.6
99.04459	0.8
99.76647	0.4
105.07020	2.4
107.04957	7.5
107.08586	1.8
109.02896	1.4
109.06498	0.8
109.10148	2.6
111.00900	0.6
111.04436	4.5
115.05449	0.6
116.98624	0.7
117.07073	0.7
119.04951	1.4
119.08589	1.7
120.08156	0.6
121.02889	0.6
121.06477	0.8
121.10130	1.2
123.04421	37.0
123.11723	0.6
124.04689	0.4
127.03909	100.0
128.06219	0.5
129.06984	0.7
131.04918	0.7
131.08548	1.2
133.02876	0.6
133.10110	1.3
135.04404	10.7
135.08046	0.6
135.11676	0.6
137.02322	1.1
137.05980	0.5
139.03897	11.2
141.06976	0.8
143.08542	0.7
145.05040	0.9
145.06375	0.9
145.10130	1.0
147.04391	1.4
147.08023	1.1
147.11682	0.7
149.02335	2.5
149.05980	1.4
149.13217	0.4
151.03899	25.2
152.04227	0.4
153.01817	9.3
153.05420	2.7
155.03412	0.9
157.10130	0.5
158.99771	0.5
159.04431	0.9
159.11661	1.0
161.06038	0.7
161.13292	0.5
163.03902	11.4
163.74335	0.4
167.03391	0.5
167.07072	0.8
169.06502	1.0
171.02948	0.5
171.08011	0.7
173.06013	2.2
173.09596	0.7
173.13220	0.6
175.07568	0.7
177.00687	0.5
177.05507	0.9
179.03391	23.0
181.10516	0.5
185.09470	0.5
187.03891	2.7
187.07535	0.9
187.14931	0.5
190.11098	1.0
191.07120	0.8
197.05952	2.5
199.11671	0.6
201.05464	4.0
201.12727	0.5
203.07077	1.3
208.12286	0.7
215.07016	5.6
219.06508	0.8
225.05505	1.3
229.04938	1.7
234.32085	0.4
243.06561	2.0
253.04979	0.5
256.58920	0.7
261.07556	4.3
271.06000	45.6
271.17010	1.0
272.06396	0.8
280.14453	0.5
289.07050	59.1
289.14758	2.1
289.18161	3.1
289.25171	2.0
290.07230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
52.11833	0.5
53.37329	0.5
63.47443	0.6
65.03932	0.6
67.01849	4.9
68.99796	4.0
69.03417	1.2
79.05477	0.8
81.03388	0.5
86.58633	0.5
89.03909	4.4
95.08631	0.6
96.25507	0.5
97.02908	1.2
107.04932	1.7
109.10122	0.7
111.00780	3.6
111.04435	2.5
117.03364	6.0
123.04415	5.6
125.02316	0.6
127.03890	3.2
129.82079	0.5
135.04408	12.5
137.05923	0.9
139.03860	2.5
145.02846	9.2
151.03914	2.4
153.01816	99.8
159.04427	0.9
161.05971	1.1
163.03896	55.3
171.02872	22.9
179.03392	8.6
187.03883	1.9
198.41838	0.5
205.05002	2.2
271.06052	3.6
289.07040	100.0
290.07388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	Dalbergioidin
Peak:m/z	Relative Intensity
55.01870	1.6
55.05479	0.5
65.03931	1.9
67.01859	1.1
67.05509	3.4
68.99783	7.6
69.00159	0.5
69.03410	1.2
69.07059	0.5
69.32681	2.9
69.33105	1.2
72.08160	0.5
79.05482	1.7
81.03410	2.1
81.07047	1.5
83.04970	1.3
85.02901	1.6
91.05472	2.0
93.03407	0.5
93.07035	0.5
95.01363	0.7
95.04974	5.8
95.08596	1.2
97.02891	1.2
97.06486	0.5
105.07007	0.9
107.04945	10.0
107.08585	1.5
109.02931	0.9
109.10159	1.3
111.00799	1.1
111.04439	8.4
117.07005	0.9
119.04930	1.6
119.08561	1.1
121.02850	1.5
121.06477	0.7
121.10129	0.5
122.09663	0.5
123.04419	99.4
124.04732	0.7
127.03909	33.9
129.07001	0.4
131.04916	1.7
131.08553	0.7
133.06451	0.6
133.10194	0.9
135.04404	15.1
135.11702	0.7
136.05199	0.8
137.02335	1.7
137.05937	0.5
139.03891	16.9
141.06984	1.4
143.08566	0.9
143.65875	0.4
145.06474	1.2
145.10088	0.9
147.04427	1.4
147.08040	0.6
147.11731	0.7
149.02335	4.3
149.05934	1.9
151.03894	36.3
153.01816	19.9
155.03372	1.3
157.06554	0.6
157.10196	0.5
158.10741	0.4
159.04404	1.1
159.07980	0.8
159.11694	0.9
161.05971	1.6
163.03899	14.9
163.07458	0.4
167.03404	3.5
167.59927	0.4
169.06476	1.5
169.10089	0.6
171.02917	3.0
171.08054	1.1
171.11690	0.7
173.05963	4.3
173.13226	0.8
175.07541	1.4
177.05443	1.3
179.03384	39.2
183.04475	0.5
185.05936	0.7
187.03911	6.7
187.07428	0.7
197.05981	3.6
199.14761	0.6
200.10683	1.3
201.05475	9.5
202.06204	0.6
202.12263	0.4
203.03412	0.7
203.07018	1.8
213.05493	0.7
215.07031	9.0
216.10243	0.7
219.06502	0.7
225.05490	2.0
229.04970	4.5
230.63004	0.4
233.11728	0.4
243.06493	4.4
245.04288	0.5
247.14378	1.1
253.04962	0.7
261.07581	6.1
271.05994	88.7
271.17023	1.3
272.06378	1.6
289.07043	100.0
289.15411	8.6
289.18066	2.9
290.07370	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	288.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.0
55.05512	7.0
57.03429	0.7
58.06612	0.7
67.05514	1.3
69.03440	2.7
69.07079	1.3
70.06588	4.8
71.04985	1.4
71.26542	1.6
72.08154	100.0
73.02905	1.1
73.08504	1.0
74.06071	2.0
79.05485	0.8
81.03413	3.7
81.07048	1.2
83.04982	0.9
84.04484	1.1
84.08153	2.3
85.02894	6.9
86.09704	30.7
87.04456	1.1
89.10794	0.8
91.05486	2.6
93.07057	0.8
94.06561	1.5
95.04959	1.0
95.08552	0.8
96.08128	1.0
97.02909	6.6
98.06059	2.2
98.09657	1.2
99.04449	5.9
103.03937	3.7
105.06992	0.7
107.04954	4.1
109.02901	4.8
109.03541	0.9
110.02390	0.9
111.04468	0.8
112.07597	0.9
113.49676	0.6
114.10264	0.7
115.08662	0.9
116.07030	0.8
116.98610	0.8
118.06537	1.1
118.08619	1.2
119.04939	2.5
119.06793	0.8
120.08101	2.6
122.06029	2.0
123.06345	1.6
124.07561	1.4
126.05516	1.1
127.03911	47.1
127.22725	0.8
129.10234	94.9
130.06499	0.7
130.10593	1.0
132.10199	18.6
135.04410	0.9
136.07582	3.6
137.02383	1.1
140.07065	2.8
141.07391	2.2
143.11797	4.8
145.04950	2.8
146.06044	1.2
147.04401	10.5
148.07545	2.3
149.02283	3.6
149.07912	2.8
152.07095	1.5
153.01831	5.7
157.09724	37.0
163.03932	1.2
164.07080	1.6
167.03481	1.0
171.02953	2.0
171.11331	1.2
182.08374	0.9
187.05986	1.3
189.12357	2.5
196.09621	0.9
199.08719	1.9
201.00674	0.9
211.08607	0.9
215.06989	4.1
218.11716	2.8
224.09100	2.2
231.17036	1.1
237.02808	0.7
243.06538	5.4
243.12085	1.1
243.14801	1.6
244.15286	1.6
270.09845	0.8
270.13098	1.2
271.05936	1.7
271.11285	3.2
271.14413	4.1
288.05807	1.8
288.10397	3.0
288.14099	3.2
288.17099	1.5
288.20975	1.4
289.06989	2.4
289.11646	4.3
289.15363	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	287.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.0
57.03430	3.5
57.07067	3.5
61.73354	2.3
65.03941	3.0
67.05500	65.0
68.99786	3.2
69.03409	4.7
69.04799	2.4
69.07066	24.8
69.48171	8.6
69.48594	16.5
71.04975	16.3
72.08144	3.1
75.61169	2.5
79.05483	26.5
81.03403	2.6
81.07054	93.0
82.07381	2.7
83.04974	8.0
83.08599	15.5
85.06534	10.6
85.48758	2.6
86.09705	8.4
91.05456	24.4
93.07031	45.4
95.04959	4.9
95.08599	79.5
97.02868	6.3
97.06522	11.2
97.10162	13.6
98.21420	5.3
99.08053	3.4
105.07019	21.6
107.04948	7.0
107.08597	34.1
109.06510	2.4
109.10142	42.3
111.08049	2.9
111.11675	5.9
112.07602	5.5
117.07031	6.8
119.08568	24.5
121.02872	4.0
121.06499	11.0
121.10140	28.7
123.04422	11.6
123.08060	5.8
123.11676	16.9
124.99961	5.4
125.09592	3.8
131.08572	15.9
133.10118	35.1
135.08037	7.4
135.11674	21.1
137.09596	12.0
137.13269	7.2
141.09073	2.8
143.08519	3.1
145.10130	12.9
147.04413	5.2
147.11674	10.4
149.09583	9.6
149.13243	11.5
151.11172	13.5
153.01825	7.7
153.05469	5.3
153.09109	6.0
155.10655	4.4
157.10107	6.3
159.11671	14.7
161.13254	2.7
163.11217	3.4
167.10733	4.2
171.11633	3.2
173.13179	12.8
175.14780	4.0
177.09248	2.9
177.12738	5.1
181.12312	2.5
184.07286	15.2
185.06026	3.2
187.14760	6.7
189.16411	6.8
191.17958	7.7
195.13806	5.9
213.05478	2.8
215.17955	33.9
233.18924	22.8
241.04953	2.9
251.20018	29.3
269.21094	29.7
287.05493	100.0
287.08939	10.3
287.16672	4.9
287.20132	6.4
287.23743	18.3
288.05856	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	287.1388
Annotation	Levcromakalim
Peak:m/z	Relative Intensity
55.05491	1.1
67.05511	2.5
68.67506	1.0
69.03418	1.8
69.07063	14.2
69.58948	1.0
70.67671	4.4
72.08147	1.9
73.45856	1.0
77.25288	1.0
78.04708	1.5
79.05479	2.9
80.05006	2.5
86.09692	1.2
91.05462	5.4
93.05764	3.3
93.07012	2.5
94.06556	13.8
95.04955	3.3
97.02882	1.1
97.06512	5.1
104.04967	4.9
106.06569	2.0
107.07325	1.7
110.06023	4.9
112.07548	2.4
116.04972	2.1
118.06536	100.0
119.07338	17.1
119.81792	1.2
120.08083	9.9
122.06022	31.6
123.04436	1.9
124.07565	2.7
127.03892	1.3
132.08089	1.7
133.08920	1.2
140.07045	27.5
142.08611	4.2
144.08067	2.3
146.06001	40.3
147.06779	29.4
148.07556	48.5
149.07956	1.3
154.07700	2.0
156.08107	1.6
158.09653	1.8
164.07047	7.4
168.08052	1.7
170.09604	1.6
171.10359	3.1
174.05554	1.5
174.09140	3.2
181.08885	1.1
184.07674	1.6
184.11215	1.3
186.09105	3.2
186.12756	1.5
188.10713	2.5
189.11505	6.5
196.11227	3.1
198.09122	1.6
199.09912	5.5
212.10736	1.9
213.13806	3.2
214.08757	1.0
214.12267	13.0
216.13802	4.8
224.10614	3.5
225.10069	1.3
226.12456	8.7
228.02823	1.9
241.13358	6.0
242.11726	45.2
243.14906	57.0
251.11650	1.5
252.10175	1.6
254.10524	1.9
259.14410	4.6
262.86127	1.3
269.09897	1.9
269.12827	32.8
270.11218	68.9
271.11542	2.1
287.05350	3.2
287.10458	2.4
287.13864	62.9
305.14935	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	287.1388
Annotation	Levcromakalim
Peak:m/z	Relative Intensity
53.03918	0.9
55.05505	1.2
57.03461	0.7
57.95033	0.8
58.50540	0.7
66.04705	1.5
67.05496	2.3
69.07063	12.7
69.48354	6.2
70.06588	1.1
72.08141	3.4
79.05471	2.5
80.05011	2.2
81.03366	0.7
81.07044	1.1
83.04978	0.9
84.08138	0.9
86.09692	1.5
91.05474	7.6
92.05033	0.7
93.05790	4.3
93.07019	1.7
94.06001	1.3
94.06557	14.5
95.04961	3.3
97.06528	4.0
103.05440	0.7
104.04974	4.8
105.07032	1.0
107.04924	1.7
107.07323	0.9
108.08105	1.1
109.05323	0.8
110.05998	3.5
112.07596	2.1
115.08615	0.7
116.04978	2.3
117.05772	2.2
117.07098	0.8
118.06533	100.0
119.07329	17.4
120.08105	10.1
122.05143	1.5
122.06017	22.1
123.04402	1.4
124.07580	2.3
127.03870	0.7
134.06015	0.7
135.09079	0.9
140.07048	20.7
140.08072	1.2
142.08636	4.9
143.07401	0.7
143.08563	0.9
144.08084	1.9
146.05992	39.6
146.09572	1.1
147.04358	1.8
147.06781	32.7
148.07561	44.0
149.08208	0.9
154.07669	1.2
156.08018	1.3
158.09679	2.2
159.10414	0.9
163.07602	0.8
164.07053	7.3
167.05975	1.6
167.07196	1.5
168.08012	0.9
169.07652	1.0
170.09673	1.2
171.10480	1.9
172.11162	1.5
174.05495	1.8
174.09145	2.3
180.08104	0.7
181.07536	0.9
181.08885	1.9
182.09616	1.2
183.10464	1.2
184.11201	1.0
185.07080	8.3
186.09106	3.1
186.12743	0.9
188.10693	3.0
189.11482	5.5
196.11209	2.7
197.09575	0.8
198.09189	1.8
198.12804	2.7
199.09952	5.5
200.06918	0.9
200.10794	1.0
209.08282	0.7
210.09204	1.2
213.06590	6.2
213.11472	1.5
213.13820	1.4
214.08946	0.7
214.12297	11.0
215.63962	0.7
216.13832	4.1
223.08687	3.3
224.10672	2.9
225.10281	1.1
226.08905	0.9
226.12422	8.0
227.09390	1.6
228.12431	1.0
240.10321	0.8
240.12631	0.9
241.09688	1.4
241.13332	6.5
242.11740	40.1
243.14912	55.3
251.11807	1.8
252.10280	1.4
254.10527	1.9
259.14398	4.1
269.09689	0.9
269.12820	30.0
270.11212	61.6
282.23120	0.7
287.05426	2.5
287.10315	13.1
287.13919	53.8
287.23773	1.1
288.11063	0.7
288.14285	1.2
305.14923	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	287.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45724	0.2
53.03945	0.2
55.01856	0.6
56.05019	0.7
56.96553	1.0
57.03436	2.6
58.06585	0.4
60.04522	1.2
61.02928	2.0
63.02139	0.2
67.98066	0.2
68.05012	1.0
69.03423	3.4
70.06594	2.2
70.98979	0.7
71.04958	0.6
72.08130	0.3
73.02914	2.2
81.03400	1.2
82.06564	0.3
84.04474	1.0
84.08121	1.0
84.96040	0.3
85.02422	0.4
85.02901	6.6
86.02426	0.4
86.06065	2.5
87.04468	0.6
88.03989	11.5
91.03972	0.2
94.06575	0.3
97.02875	2.7
98.06033	0.6
98.09625	0.3
98.97578	2.0
99.04423	0.8
100.07626	0.6
101.02364	0.3
102.05522	0.7
102.09158	1.0
109.02869	0.7
110.01298	0.3
110.97604	0.3
112.07600	4.1
113.02355	0.3
114.05528	7.2
116.98598	1.5
119.01869	1.7
120.02014	0.5
121.06442	0.6
122.51106	0.3
124.07590	0.3
126.05495	0.4
127.03924	2.5
128.02275	0.6
128.07034	0.8
128.98582	1.1
130.04999	11.3
130.08614	0.7
130.52533	0.3
131.01906	0.3
133.01631	0.3
134.99623	0.6
138.05470	1.0
139.05818	0.8
140.02238	0.4
140.07051	3.1
142.04993	2.0
142.08649	4.0
143.01845	0.4
145.03389	0.3
145.04977	1.1
146.02283	0.4
146.99626	1.0
149.02837	0.3
150.05511	0.3
151.08713	0.4
152.02298	0.6
155.02829	0.5
157.03485	0.5
158.03368	0.2
158.04503	3.0
158.08116	1.3
158.99643	0.7
159.03122	0.3
161.01253	0.5
161.02843	0.7
163.02669	0.2
165.00693	0.2
168.06537	1.4
169.09720	3.4
170.99667	0.6
173.02847	0.6
175.04501	0.5
177.00681	0.8
182.03339	1.0
184.05833	0.3
186.07603	100.0
187.07927	1.1
189.00687	1.3
191.02295	0.3
191.03824	2.7
192.05577	0.4
197.09229	3.1
198.04613	0.3
200.04402	1.9
201.00705	0.4
206.02544	0.8
207.01904	0.3
207.05238	1.1
209.04974	0.9
211.55251	0.3
215.03055	1.2
216.05748	0.5
219.01797	0.7
223.10703	0.4
237.02913	0.5
237.15306	0.3
241.11855	1.8
248.99164	0.3
249.02696	0.3
251.04333	0.3
269.05240	0.4
269.11362	0.7
269.18570	0.5
287.05597	4.2
287.12369	38.0
288.05481	0.4
288.12863	0.4
293.05362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.091
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflavan
Peak:m/z	Relative Intensity
53.03953	0.2
55.01863	0.6
55.05498	0.3
56.41808	0.2
65.03944	0.4
67.05502	3.3
68.99786	0.7
71.18452	0.3
79.05466	0.3
81.07047	0.6
85.06503	0.3
91.05454	0.6
93.07038	0.2
95.04963	6.2
95.05555	0.4
95.08567	0.2
96.96641	0.2
103.32262	0.3
107.04955	0.7
109.10162	0.2
111.38260	0.2
119.04919	0.6
121.06516	0.7
123.04417	100.0
124.04774	0.7
125.06069	0.3
135.04437	0.4
137.05991	1.0
139.03912	0.6
141.05492	1.2
147.04395	10.3
149.05963	0.5
153.05457	16.1
163.03929	0.9
165.05472	1.6
177.05464	2.0
178.06148	0.3
185.06113	0.2
187.07555	0.2
189.05463	0.3
193.04944	0.6
199.07523	0.4
215.17932	0.2
255.06429	0.5
259.09570	0.3
269.08032	0.4
272.06677	0.3
287.05750	1.0
287.09097	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	287.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34384	1.7
55.01908	2.1
58.47562	2.0
69.03426	2.5
71.53375	3.8
81.03401	3.0
85.02901	4.7
85.69125	1.8
93.51585	1.7
94.93009	37.3
97.02893	5.1
99.10072	2.2
112.89594	10.1
114.89333	11.0
115.04694	2.0
122.14981	1.7
134.92439	2.4
136.94008	100.0
150.91896	2.3
150.95580	28.0
152.91740	2.5
152.92188	2.5
152.93488	34.9
153.06430	1.8
164.93512	18.7
166.95085	6.7
172.20042	2.0
176.93503	75.5
178.95079	14.1
180.96657	4.0
188.93492	20.4
197.59242	2.0
199.06282	2.9
200.04356	1.9
207.05197	4.2
216.05736	6.3
226.99802	2.2
238.97211	6.2
248.89572	3.0
250.97165	17.8
268.98245	65.1
286.99432	50.9
287.06393	2.9
287.10400	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	287.0908
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
55.01863	1.5
55.05496	3.7
57.03429	1.9
57.07050	0.8
65.03924	1.9
67.01858	4.7
67.05496	4.6
68.99786	2.5
69.03417	4.7
69.07054	2.3
71.01345	1.1
71.04977	2.2
71.62923	0.8
72.60240	0.8
73.02890	2.4
79.05496	1.7
79.12779	0.7
81.03407	2.0
81.07063	4.0
83.01343	0.9
83.04979	14.0
83.08604	1.0
85.02897	6.6
91.05477	8.8
93.07037	1.9
95.01318	1.4
95.04957	6.9
95.08596	2.6
97.02876	1.8
97.06483	1.1
101.02328	0.9
104.63706	0.8
105.07012	2.1
107.04939	3.8
107.08600	2.0
109.06535	1.8
109.10168	1.3
111.04430	10.5
113.02351	2.6
113.05985	2.5
119.04932	22.3
119.08578	2.2
121.02854	2.2
121.06491	2.7
121.10168	1.5
123.04399	5.6
125.02365	0.8
129.05470	0.9
130.00500	0.8
131.00887	1.6
131.08546	1.0
132.00237	4.1
133.10112	1.2
135.04353	0.9
135.08060	1.0
135.11684	0.9
137.02325	1.5
137.05948	1.5
141.01813	6.3
141.10591	0.8
143.08623	1.0
145.10083	1.6
147.04396	54.2
147.11673	1.3
151.03923	0.9
151.07460	1.0
153.01810	2.0
153.05457	1.5
155.03447	1.1
157.01328	1.1
159.02914	1.3
165.01714	1.8
165.05525	1.9
167.03386	100.0
168.03654	0.7
173.13351	1.2
175.02336	2.2
177.05405	1.2
179.00449	0.8
180.74902	0.8
183.02826	1.9
185.04408	4.9
185.13284	1.0
189.05482	1.3
191.10664	1.1
193.04871	0.9
195.06448	0.8
196.02216	1.6
197.01657	2.1
199.14624	0.9
213.05453	0.9
217.05042	0.9
227.18071	1.0
231.06482	1.4
269.06485	1.8
269.22736	1.8
286.92285	5.6
287.05515	15.4
287.09097	88.8
287.20056	3.4
287.23718	2.8
287.27390	1.3
287.91730	5.5
288.09308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.69600	0.1
55.05496	0.2
67.01862	1.5
67.05478	0.3
68.99789	1.0
69.03387	0.1
69.07036	0.1
70.09241	0.7
73.42240	0.1
79.05465	0.5
81.03410	0.2
81.07036	0.4
85.28853	0.1
89.03894	0.5
91.05463	0.2
93.07035	0.3
95.08588	0.2
97.06532	0.2
102.04142	0.1
105.06973	0.3
107.04945	0.6
107.08586	0.2
109.10153	0.3
111.00810	0.1
111.04411	0.1
117.03358	0.7
119.08575	0.3
121.10104	0.2
123.04408	0.5
125.02252	0.1
128.06323	0.1
129.01784	0.3
131.08514	0.2
133.10159	0.2
135.04404	4.2
137.02330	1.2
137.05934	0.2
146.84810	0.1
147.04462	0.1
147.11664	0.2
151.03841	0.2
153.01817	9.3
153.05440	0.3
154.02086	0.1
157.06517	0.2
159.11705	0.2
161.02332	1.4
161.13293	0.2
163.03856	0.2
171.02896	1.4
171.04283	0.2
179.03358	0.4
185.05922	0.3
189.05496	0.3
199.03784	0.2
203.03375	0.2
213.05515	0.5
217.04919	0.3
231.06483	0.2
232.57184	0.1
241.04909	1.3
243.49635	0.1
245.04253	0.3
258.05200	0.2
259.05972	0.2
269.04388	0.8
269.12701	0.2
287.05469	100.0
287.23630	0.5
288.05844	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	286.9929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10946	4.8
54.42921	4.7
59.91230	5.0
63.53028	6.3
68.01824	5.2
71.14424	10.9
71.42939	5.7
74.93722	4.8
80.00716	6.0
81.03417	6.4
85.02906	13.8
94.93010	36.3
97.02905	8.6
100.07600	6.9
115.71507	5.3
136.94019	100.0
150.95601	22.8
152.93517	37.4
155.24146	5.9
164.93539	22.7
166.95164	8.0
176.93486	51.6
178.95110	7.6
188.93436	9.2
196.97974	5.5
199.06453	5.7
207.05237	7.9
215.05095	6.5
250.97122	17.5
268.98270	63.8
283.71536	5.6
286.99445	56.8
287.05984	7.2
287.09949	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	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.02386	0.2
55.01847	0.7
65.03932	0.4
67.01836	0.5
67.05490	0.5
68.99783	5.0
69.03400	0.4
69.07050	0.3
70.23748	0.3
70.24150	0.6
71.04977	0.2
72.08118	0.2
77.55826	0.2
79.05472	0.5
81.03406	0.2
81.07021	0.7
83.08569	0.2
91.05461	0.4
93.07042	0.4
95.01303	0.4
95.04945	0.5
95.08568	0.6
97.02876	0.3
103.05435	0.2
105.03374	1.7
105.07005	0.8
107.04949	2.0
107.08573	0.3
109.02854	0.4
109.10145	0.3
111.00774	0.5
115.05456	0.3
117.06977	0.3
119.08570	0.3
121.02848	0.4
121.06501	1.7
121.10147	0.3
123.04403	1.6
129.07056	0.3
131.04927	0.2
133.06447	0.6
133.10095	0.2
134.03647	0.2
135.04379	0.8
135.08038	0.4
135.11673	0.2
137.02339	0.9
137.09589	0.3
145.06427	0.3
147.04398	1.7
149.02313	2.6
149.05891	0.2
150.03133	0.2
153.01816	18.8
154.02148	0.2
157.06474	0.4
159.11691	0.3
161.02342	3.5
161.05942	1.8
162.03098	0.2
163.03882	0.4
165.01791	0.4
171.02884	0.4
171.04427	0.6
171.11626	0.2
171.31679	0.2
173.05978	0.2
175.03888	2.0
175.07506	0.3
177.01869	0.2
185.00737	0.2
185.05952	0.7
187.51698	0.2
189.05457	7.4
191.03322	0.4
193.04921	0.3
193.06615	0.2
197.06052	0.2
199.03841	0.5
200.04788	0.2
201.05400	0.3
203.03470	0.8
203.07019	1.5
205.04945	0.4
213.05460	1.6
216.04163	1.1
217.04945	33.7
218.05312	0.7
219.06500	0.8
231.06500	6.4
241.04916	1.9
245.04453	3.3
245.11899	0.2
259.06006	2.4
269.04462	2.7
287.05478	100.0
287.23685	0.5
288.05820	4.0
288.09021	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	286.2011
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
51.63992	0.4
55.05498	0.8
56.40375	0.4
57.55122	0.4
58.06592	15.2
67.05491	1.3
68.05015	0.4
69.03407	0.7
69.07037	0.3
70.06582	7.6
71.04967	1.6
71.60192	0.5
72.08144	3.0
79.05466	1.3
80.05040	0.5
81.03423	0.4
81.07051	3.4
82.06568	1.2
83.07343	1.2
84.08121	2.8
85.02882	0.7
85.06523	1.2
86.09677	0.6
87.04478	0.7
91.05488	2.3
93.07039	2.3
94.06561	1.4
95.07346	0.4
95.08582	1.1
96.08139	1.7
97.06507	1.4
98.06052	0.5
98.09679	5.7
98.97572	0.6
99.04427	0.5
100.07590	1.3
105.07001	1.4
106.02837	0.4
106.06561	0.8
107.04889	0.4
107.08557	0.9
108.08083	1.1
109.06492	0.9
109.08881	0.4
110.07096	0.7
110.09669	1.5
111.64156	0.4
112.07583	2.5
116.07079	1.0
119.08546	1.0
121.06467	0.8
124.03941	12.9
124.07599	1.1
124.11197	1.7
125.05949	0.5
126.09167	0.8
127.07566	0.6
128.02324	0.4
131.08516	0.5
136.11230	0.4
138.05472	0.4
140.07013	2.0
140.10661	0.6
147.04384	1.5
150.12758	0.8
154.12173	0.4
164.08165	1.0
166.12167	0.5
170.11700	0.4
171.20560	0.4
173.01031	0.4
177.00639	0.4
178.12311	0.8
180.10197	0.6
186.07553	0.6
194.11760	2.0
196.13301	15.5
197.13658	0.4
208.13310	1.5
210.08833	0.7
214.14363	21.1
215.14630	0.4
226.14362	14.9
227.14890	0.5
238.18031	1.5
244.15428	38.8
245.15759	0.6
250.17979	1.7
254.07640	0.5
268.19061	11.3
286.09378	3.3
286.20102	100.0
287.05472	0.8
287.11002	1.0
287.20370	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	286.2011
Annotation	Viridiflorine
Peak:m/z	Relative Intensity
53.03930	0.6
55.05493	0.6
56.05031	0.5
56.80968	0.4
56.96541	1.8
57.03427	2.2
58.06596	14.0
61.02921	3.0
67.05486	1.4
68.65362	0.4
69.03429	2.6
70.06248	0.4
70.06591	5.6
70.40373	0.9
70.40780	1.6
71.04976	1.2
72.08158	2.3
72.08472	0.5
73.02877	1.5
75.67042	0.4
79.05476	2.0
81.03387	1.2
81.07063	3.2
82.06553	0.9
83.07319	1.2
84.08128	2.9
85.02412	0.7
85.02898	7.9
85.06530	0.6
85.08435	0.4
87.04424	0.9
91.03957	0.4
91.05439	1.5
93.07055	2.1
94.06556	1.1
95.04945	0.5
95.07346	0.6
95.08607	1.0
96.08109	1.6
97.02891	2.9
97.06523	1.1
98.06847	0.4
98.09079	0.7
98.09674	5.7
98.97566	1.5
99.04436	1.0
100.07594	1.3
101.00844	1.0
105.07017	1.2
108.08071	0.8
109.02850	0.7
109.06513	0.8
109.08892	0.4
110.09641	1.7
112.07574	0.6
113.05984	0.7
116.07035	1.5
116.98653	0.8
119.01900	2.8
119.08543	0.6
121.06458	0.9
124.03884	0.6
124.11224	2.8
125.05972	1.0
126.09109	0.6
127.03934	3.2
128.98557	0.6
131.01884	1.3
133.03464	0.5
134.99596	0.4
135.07964	0.4
136.11238	0.5
137.02800	0.5
138.05495	4.2
140.10635	0.7
141.05379	1.3
143.01859	0.7
145.03618	0.5
145.04881	2.1
147.04346	0.8
150.12772	0.5
160.02867	0.5
160.97556	0.5
161.02905	1.8
170.11748	0.4
173.02888	1.7
177.02448	0.5
178.12212	0.5
182.50995	0.5
183.05040	1.0
184.03949	0.7
185.02849	0.6
185.09212	0.9
186.07594	1.1
187.00871	1.2
189.00778	0.6
189.02406	0.7
189.40947	0.5
191.03918	1.0
192.05556	0.7
194.11777	0.6
196.03969	0.6
196.13333	12.7
201.06387	0.4
203.04105	0.7
205.04446	1.0
206.98233	0.5
208.13327	1.2
214.14380	16.3
215.00322	1.8
226.14365	12.5
226.16486	0.9
230.98050	0.6
231.03534	0.7
238.17902	1.0
244.15434	31.7
245.15652	0.7
247.02928	0.8
249.02391	0.5
250.14322	0.9
250.17960	0.6
259.03073	0.9
263.00812	0.6
268.15427	3.4
268.19040	10.4
269.19101	0.6
286.20056	100.0
287.05515	0.5
287.10434	0.6
287.20142	3.6
289.03940	0.8
307.05124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01867	3.2
55.05499	17.4
56.33531	2.1
56.93260	2.3
57.03440	22.3
57.07062	3.7
67.05502	36.2
69.07062	23.7
70.43465	2.3
71.04982	7.1
71.63507	3.6
71.63893	2.6
79.05498	18.7
81.03433	3.1
81.07053	100.0
83.04971	8.9
83.08610	10.7
85.06524	10.5
91.05474	30.8
93.07058	11.4
95.04946	2.6
95.08607	24.9
97.06544	6.6
99.08063	5.5
101.05997	3.1
105.07027	41.2
107.04999	2.7
107.08596	13.1
109.06499	7.6
109.10168	4.0
119.08578	32.4
121.10133	27.0
123.04413	3.3
123.08043	2.8
123.11703	31.2
133.10126	3.1
147.11681	88.2
157.10071	3.0
165.12750	43.1
175.11243	5.3
183.13850	4.3
187.07536	4.5
187.57597	2.6
193.12148	3.7
208.08926	2.8
229.14391	7.6
235.43385	2.4
267.15939	4.0
268.10953	9.9
268.61047	5.1
270.05255	4.7
276.62085	3.1
285.07535	11.2
285.10281	2.5
285.13599	4.5
285.16928	78.9
285.21771	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.6
57.07061	0.4
60.08123	0.3
67.05479	1.3
69.07037	0.9
71.62740	0.5
77.00600	0.8
79.05478	0.6
81.07046	2.5
83.08606	0.4
91.05463	1.7
93.03699	1.0
93.07027	0.5
95.08583	1.2
105.07025	1.5
105.55152	0.4
107.04929	0.6
107.08578	0.9
109.10164	0.5
119.08604	0.9
121.10146	0.8
123.04404	3.1
123.11712	1.2
133.10042	0.5
134.99258	0.8
135.04407	0.4
137.00812	0.8
137.97948	0.5
139.02470	0.7
145.06378	0.5
145.10170	0.4
147.04414	0.6
147.11687	4.1
153.00308	3.6
153.01463	0.5
155.01895	24.1
156.99843	2.9
157.06479	0.5
157.10114	0.4
162.04004	0.4
162.06787	0.9
163.03879	0.4
163.07501	1.8
163.93481	0.5
165.12740	1.0
171.01390	100.0
172.01385	1.5
172.99339	3.2
173.01740	0.6
175.07481	0.5
175.49205	0.4
178.03513	3.6
179.56189	0.4
187.07536	1.1
189.02473	0.8
193.12103	0.4
194.02995	10.0
195.03026	0.5
208.08630	0.4
212.03970	1.8
219.08598	0.7
221.10222	6.1
237.09717	19.9
238.09808	1.0
244.11836	1.6
252.60080	0.4
253.08591	0.4
260.11319	2.0
268.10989	1.8
268.61090	0.7
276.62289	1.2
278.12357	0.5
285.04132	0.5
285.07523	3.0
285.11105	1.5
285.16742	2.3
285.22067	0.8
285.29892	0.4
285.33426	1.1
303.18054	10.7
304.18112	0.4
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	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03952	0.9
55.01855	2.1
55.05513	15.3
57.03438	20.4
57.07062	1.8
63.05194	0.9
63.97833	0.9
65.03931	1.1
67.05502	32.8
69.06721	1.2
69.07068	19.9
69.47639	6.9
71.05001	6.1
79.05491	18.9
81.03435	1.3
81.07055	100.0
82.07397	1.2
83.04974	9.6
83.08616	9.5
85.02914	1.0
85.06545	7.2
87.88597	0.8
91.05481	26.9
93.07041	15.8
95.04982	4.4
95.08038	1.4
95.08606	19.6
97.06515	7.4
99.08065	5.0
101.05979	1.4
105.07028	40.0
107.04935	1.4
107.08589	13.0
109.06522	5.8
109.10153	2.6
111.08088	1.6
113.06017	1.8
115.05428	1.4
117.06928	0.9
119.08574	29.1
121.09312	1.3
121.10142	21.0
123.04411	5.4
123.08067	6.0
123.11702	30.5
127.07542	3.5
129.06975	2.6
131.04878	1.5
131.08553	3.0
133.10121	3.6
135.11632	1.0
137.13257	2.5
141.01848	0.9
141.06862	0.8
145.06410	0.9
145.10109	1.4
147.04373	2.4
147.11682	81.5
149.09567	1.3
157.10054	4.2
161.05966	2.4
163.07550	5.6
165.07014	3.1
165.12752	44.0
175.07568	1.4
175.11133	4.6
181.06482	1.3
182.07242	1.7
183.02881	1.6
183.13847	6.4
187.07538	1.3
188.14389	0.9
193.06461	2.9
193.12228	3.7
210.06787	2.5
211.07494	1.1
221.05978	3.7
225.09171	5.0
229.14325	8.9
253.08600	17.5
254.09134	1.0
267.15909	5.1
268.10931	2.5
270.05234	2.0
276.62326	0.9
285.07535	10.2
285.11221	13.9
285.16937	77.1
285.22089	3.9
286.07983	1.2
286.17355	1.0
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
50.66278	0.9
53.03938	2.3
55.01851	1.8
55.05508	15.5
57.03148	1.2
57.03432	22.3
59.04995	0.9
60.98259	0.9
62.99950	1.0
65.03922	1.5
67.05502	34.8
68.99771	1.9
69.03411	2.8
69.06718	1.6
69.07064	22.8
70.06577	1.0
70.06947	5.2
71.04982	5.9
72.08141	1.9
79.05489	21.1
81.03391	2.9
81.07053	100.0
82.67266	0.9
83.04974	6.7
83.08611	10.8
85.02872	1.6
85.06537	9.0
91.05477	30.4
93.07037	16.9
95.04970	6.8
95.08604	26.2
97.06528	9.1
97.10159	1.4
99.08076	5.0
103.05436	1.7
105.07028	46.0
107.04934	1.8
107.08584	13.4
109.06507	8.1
109.10157	5.7
111.08052	3.4
113.05956	2.2
115.05416	3.5
117.06984	2.8
118.04160	1.4
118.41575	0.9
119.04940	2.1
119.08575	34.2
120.93230	0.9
121.09303	1.5
121.10136	23.1
123.03557	2.1
123.04420	27.6
123.08073	5.2
123.11703	35.7
124.04721	1.0
125.09586	1.2
127.07529	3.1
129.07031	2.4
131.04860	1.1
131.08548	2.5
133.06468	1.8
133.10121	5.1
135.11633	1.5
137.05939	1.8
137.09631	1.5
137.13210	2.8
141.09032	2.0
142.07721	1.6
143.08498	1.7
145.06436	2.4
145.10091	2.9
146.03622	1.5
147.04393	3.3
147.08026	2.2
147.11679	80.3
148.11993	1.3
149.05995	2.1
151.07513	2.7
157.10109	4.5
159.11658	2.5
161.05966	7.3
161.13295	1.3
162.06703	2.2
163.07539	22.0
165.01801	2.1
165.07019	5.7
165.12750	42.2
169.10126	1.2
170.02112	1.9
173.13248	1.1
175.07549	4.8
175.11165	4.0
179.08659	1.4
181.06409	1.8
182.07274	3.1
183.02881	5.7
183.13829	5.9
187.07460	1.8
192.09337	1.2
193.06540	6.5
193.12167	3.1
194.07222	1.3
197.05971	1.1
199.14870	1.3
210.06827	5.6
211.07468	1.9
213.05492	1.2
221.06001	7.4
225.09105	11.7
229.05128	1.0
229.08595	1.1
229.14319	7.7
238.06152	2.3
239.06818	1.2
242.05682	2.2
243.17209	1.0
252.09515	1.5
253.04828	2.3
253.08594	28.3
254.09061	3.6
260.59827	1.1
267.10089	1.8
267.13318	1.0
267.15793	5.4
267.20972	1.5
268.10913	6.5
268.60995	3.8
269.04330	2.7
270.05325	6.0
270.08121	1.5
276.62106	4.5
285.04050	2.8
285.07513	34.9
285.11142	34.3
285.16916	67.2
285.22083	7.0
286.07892	2.5
286.11478	1.5
286.17194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03932	3.8
55.01859	4.8
55.05512	13.4
57.03435	24.8
65.03906	1.3
67.05167	1.6
67.05503	22.6
68.99783	11.2
69.03410	3.8
69.07063	4.8
70.06584	2.2
70.93628	0.8
71.01335	1.1
71.05004	4.7
71.05305	0.9
71.13493	2.3
72.08145	1.6
79.05047	1.4
79.05489	21.3
81.03415	57.8
81.07053	30.3
83.04980	10.6
83.08147	0.9
83.08615	19.6
85.02902	36.2
85.06532	2.6
91.05476	27.2
93.07044	16.6
95.04964	27.9
95.08604	12.6
97.02871	2.6
97.06524	4.0
97.10175	1.6
99.08097	0.9
103.05457	1.6
105.07027	19.8
107.04957	9.6
107.08599	8.2
109.02816	1.2
109.06487	4.5
109.10149	2.3
111.04439	2.3
111.08067	11.7
113.05991	2.8
115.05431	2.1
117.06999	2.6
118.04182	7.7
119.04939	1.5
119.08580	17.2
121.06487	6.8
121.10153	9.8
123.04420	68.1
123.08059	3.2
123.11657	1.5
124.04752	1.7
125.09565	1.0
128.06206	1.0
129.07007	9.3
131.08559	11.0
133.06459	3.7
133.10143	8.9
135.08014	1.4
135.11668	1.7
137.06049	1.0
137.09607	1.2
138.05344	1.0
139.11383	1.1
142.07787	1.6
145.10065	1.6
147.04355	3.8
147.08028	6.0
147.11699	13.8
149.05978	39.3
149.09613	4.5
150.06273	2.0
151.07498	3.2
152.01024	1.4
153.01851	6.8
157.06458	0.9
157.10120	13.7
161.05934	1.7
163.07538	44.6
164.07870	2.0
165.01810	2.9
165.12746	2.9
167.07011	1.3
168.76414	0.9
170.02083	5.4
175.07552	9.7
175.11166	14.9
183.02852	2.6
187.07449	1.1
193.12238	54.6
194.12590	1.9
211.11279	2.2
211.13274	34.5
229.05043	1.2
242.05669	2.8
253.08522	2.9
267.15942	9.3
268.11029	1.8
268.61102	1.3
269.04425	14.9
270.05219	32.5
271.05557	1.8
276.62378	1.4
285.07486	100.0
285.11139	59.5
285.16898	56.0
285.20212	2.0
286.07846	7.3
286.11490	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47330	1.8
53.03937	3.2
55.01861	4.7
55.05505	21.6
55.47207	1.6
56.05020	2.0
56.96564	4.0
57.03176	3.5
57.03435	37.2
58.06592	1.8
58.94079	1.8
65.03941	2.3
67.05495	35.8
68.99790	2.7
69.03428	5.5
69.07052	9.9
69.80537	3.9
69.80952	7.2
70.06605	9.7
71.04982	7.9
71.06931	3.9
72.08147	5.9
78.80119	1.8
79.05488	32.0
80.03882	1.7
81.03413	69.4
81.07053	41.8
83.04974	14.7
83.08608	26.5
85.02899	55.3
85.06534	4.6
86.09738	2.4
91.05473	40.1
93.07034	28.1
94.06584	1.9
95.04959	35.6
95.08605	17.6
97.02892	5.9
97.06541	4.5
97.10181	3.6
98.06025	2.2
98.21464	3.7
99.08075	2.5
105.07017	29.8
107.04968	7.5
107.08594	13.0
108.08104	13.1
109.06523	7.9
109.10175	7.0
110.05998	2.2
111.04462	3.1
111.08089	15.6
112.07603	4.7
113.06035	4.9
113.07938	3.9
115.05458	3.5
116.98608	3.4
117.07014	1.9
119.04928	2.6
119.08577	24.0
120.08099	2.8
121.06517	3.8
121.10143	15.0
122.06033	1.9
123.04418	13.4
123.08079	6.5
123.11680	3.5
124.03967	5.8
129.06976	12.8
130.83549	1.8
131.08559	11.9
133.06491	3.9
133.10117	14.9
134.09482	2.2
134.99702	3.2
142.07762	3.6
145.10172	3.1
146.06020	9.0
147.04407	5.1
147.08061	5.6
147.11682	27.0
148.07532	1.8
148.11189	9.1
149.05957	4.3
149.09628	8.4
151.07533	3.7
157.10092	17.7
163.07562	6.7
163.11192	2.9
165.01836	2.4
165.12746	4.7
175.11172	17.9
176.09447	2.0
183.03030	2.4
186.09167	3.1
188.10646	3.2
189.12729	1.9
193.12233	73.4
200.10657	9.0
211.13283	46.9
211.15221	2.3
221.06163	1.9
221.19276	2.1
225.09137	5.4
233.65894	1.9
253.08540	4.6
257.04388	3.5
257.16470	100.0
258.16916	4.0
267.15887	6.2
268.11090	6.0
270.05267	6.5
285.04004	4.5
285.07529	22.3
285.11313	14.1
285.16864	99.1
286.08032	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03943	4.0
55.01861	2.3
55.05515	8.5
57.03440	7.9
61.07885	0.7
65.03945	0.8
67.05158	1.4
67.05499	16.3
69.03433	3.2
69.07059	4.0
70.56898	2.7
71.04984	1.8
72.08165	1.2
79.05048	1.4
79.05489	14.6
81.03413	100.0
81.06573	1.1
81.07050	19.0
83.04966	6.2
83.08128	1.6
83.08613	22.1
85.02899	6.9
85.06507	1.8
91.05471	17.9
93.07034	9.0
93.67999	0.9
95.04964	27.3
95.08597	5.6
97.02897	2.8
97.06525	2.2
97.10168	1.6
98.20855	1.2
99.08073	1.3
104.45979	0.8
105.07026	14.5
106.61514	0.9
107.04956	6.2
107.08589	5.8
109.06503	3.3
109.10147	2.8
111.04429	1.2
111.08074	11.8
113.05986	1.7
115.05449	1.4
117.06999	1.1
119.05028	0.9
119.08573	12.9
121.06509	1.7
121.10146	6.7
121.25558	0.8
123.04434	5.0
123.08051	2.1
123.11691	3.3
129.06996	6.6
131.08568	8.3
133.06493	2.6
133.10147	4.0
135.11711	1.1
137.09636	1.8
137.84094	0.8
142.07742	2.8
145.10063	1.1
146.97862	0.8
147.04353	1.8
147.08026	2.5
147.11688	12.8
149.05959	1.3
149.09628	5.0
157.10115	10.0
163.07542	4.8
165.07001	1.6
165.12733	3.7
175.11188	14.3
183.02858	0.9
193.12236	65.4
211.13278	13.3
225.09055	1.4
226.85011	0.9
229.14389	0.8
253.08551	4.7
267.15891	17.5
268.10941	1.2
270.05103	1.9
285.07498	5.9
285.11188	7.7
285.16943	16.7
285.22061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.4
55.05505	26.1
57.03434	54.3
58.80426	3.2
67.05502	44.5
69.07063	14.0
69.50078	2.9
69.53206	16.1
69.53629	10.6
69.59370	2.7
71.04988	13.7
77.91651	3.1
79.05481	42.8
81.03413	93.0
81.07051	49.3
83.04975	24.1
83.08613	41.8
85.02900	100.0
91.05472	54.8
93.07035	30.2
95.04967	51.0
95.08604	23.8
97.02907	4.9
97.06491	4.5
97.10178	4.4
105.07024	39.9
107.04951	11.2
107.08579	14.6
109.06512	9.7
109.10129	7.1
111.04444	4.9
111.08074	22.5
113.05959	7.2
115.05474	3.8
119.08569	37.1
121.10131	20.3
123.04410	8.1
123.08084	7.7
123.11703	4.7
129.06995	18.1
131.08557	17.5
133.06448	3.6
133.10164	14.3
137.09651	3.8
143.56526	3.5
145.10191	4.5
147.04428	4.3
147.08124	6.3
147.11673	27.8
149.09560	8.3
151.07466	4.4
157.10146	21.5
163.07538	8.7
165.12726	5.9
175.11140	27.1
187.07643	6.8
193.12239	99.9
201.65228	3.6
211.13272	76.8
217.35236	3.2
250.63196	3.0
252.09879	4.5
268.10965	21.7
270.05234	4.2
276.62305	3.8
285.04132	6.9
285.07584	19.2
285.10794	7.1
285.16922	99.2
285.21985	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	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.85832	1.4
53.03930	3.1
55.01854	4.8
55.05506	26.2
55.47787	1.4
56.96557	1.6
57.03429	39.8
57.07071	1.8
65.03933	1.9
67.05499	39.7
69.03406	4.5
69.07067	9.4
69.87719	1.4
69.97655	6.4
70.06583	1.9
71.04989	13.4
72.08147	4.8
79.05481	37.2
81.03410	75.7
81.07052	42.0
83.04982	19.4
83.08136	2.1
83.08610	30.3
85.02896	70.3
85.06525	4.2
91.05470	44.6
93.07041	26.6
95.04962	38.8
95.08593	22.9
97.02874	6.9
97.06495	6.9
97.10146	4.4
98.09713	1.6
99.08070	1.9
105.07021	28.6
107.04948	7.6
107.08591	12.1
109.06496	7.8
109.10147	8.4
111.04424	4.3
111.08077	15.5
113.05991	6.0
115.05470	2.7
117.06987	4.9
119.04924	1.7
119.08573	28.8
121.10140	14.8
123.04386	11.6
123.08051	4.9
123.11675	2.6
125.09608	2.6
125.50473	1.6
127.07384	1.4
129.06981	12.2
131.08556	13.3
133.06474	4.2
133.10117	15.6
135.07898	1.6
135.11603	2.2
137.05984	2.0
137.09570	2.9
140.90923	1.8
142.07780	3.6
145.10098	4.3
147.04395	6.3
147.08031	5.0
147.11665	25.6
149.06017	2.9
149.09618	9.0
151.07523	2.0
151.11179	1.8
157.10124	18.6
160.05232	1.7
161.05969	1.9
163.07536	7.8
165.01810	6.6
165.07007	3.2
165.12729	5.2
175.07480	1.8
175.11168	26.1
183.02884	4.7
185.13242	1.6
193.12221	79.6
210.06821	1.7
211.13264	51.5
211.15239	3.8
225.09044	4.2
229.04961	3.9
231.17189	1.7
253.08600	9.0
254.04321	1.7
257.04428	3.5
258.05280	2.6
267.15891	9.6
267.19440	4.0
268.10944	6.0
268.60956	2.4
270.05191	3.3
276.62030	3.0
284.67371	1.8
285.03961	11.2
285.07562	14.5
285.11221	12.0
285.16928	100.0
286.04446	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
53.28272	0.8
55.01860	1.5
55.05492	2.2
55.67110	0.7
56.96548	1.9
57.03422	1.5
57.04525	0.7
57.07070	1.0
59.08942	0.7
63.00035	1.5
65.03927	0.8
67.05486	1.9
68.05042	0.7
69.03407	1.8
69.07057	1.6
70.06580	5.6
71.04979	1.9
71.06911	0.8
71.61224	0.8
71.61649	1.2
72.07790	1.1
72.08147	12.9
78.04683	2.9
79.05473	2.7
81.03414	1.6
81.07042	1.4
83.08596	0.7
84.04478	1.2
84.08121	2.6
85.02898	2.6
86.09691	3.6
89.10786	0.9
91.05473	14.8
93.07035	11.6
95.04976	5.0
95.08604	1.3
97.02876	1.8
97.06504	1.0
97.07681	0.7
98.06063	1.3
98.09650	1.1
98.98447	1.1
99.04459	1.3
100.96667	0.6
102.24007	0.6
103.05462	9.9
105.07008	3.9
106.04136	1.1
107.04934	3.0
109.02837	1.4
109.06538	1.3
110.02389	1.0
110.06059	0.7
112.07586	1.1
114.10275	1.8
115.05420	1.8
115.08694	0.8
116.98632	0.8
119.04944	5.1
121.06493	22.3
122.03614	1.0
123.04403	4.8
123.08044	0.8
124.05197	1.9
124.07565	1.1
127.03848	0.9
130.04131	0.7
131.04919	2.6
131.06006	0.9
131.12898	1.1
133.06476	4.7
134.03627	0.8
135.04379	1.1
137.05945	1.9
141.07048	0.9
143.04898	1.3
145.02846	1.4
145.06517	1.3
146.06006	0.9
147.04395	18.1
148.04723	3.8
149.05969	33.9
151.03871	3.7
151.07542	1.9
152.04665	1.6
152.07127	0.9
153.05501	0.8
157.06488	1.8
161.05943	5.3
162.05536	1.0
162.06721	3.1
163.03874	1.0
163.07487	0.8
165.05542	0.9
165.09058	0.8
166.06259	6.7
167.07027	100.0
168.07339	1.7
171.06322	1.1
173.07118	1.2
175.07515	1.2
177.05421	2.4
178.06335	1.2
179.06999	1.3
180.07773	1.5
181.08575	55.7
187.07524	5.1
191.08592	0.7
191.10612	0.7
192.09256	1.2
193.08589	2.9
194.07224	0.8
197.05931	0.9
207.08197	1.6
207.10068	0.8
208.08784	1.6
211.09634	55.3
212.10052	1.2
213.08934	1.0
218.11708	2.1
219.08211	0.9
219.12021	1.5
222.20358	0.7
225.09058	1.3
236.08330	1.0
237.09084	1.0
239.06784	0.7
239.11818	1.0
252.09615	2.5
253.08607	2.0
255.12349	1.1
262.66684	1.0
267.06534	0.7
267.11237	2.0
268.10983	10.4
268.60983	4.0
268.97952	1.1
269.11267	1.4
276.11642	1.0
276.62277	5.2
277.12320	1.4
277.16534	1.1
284.67313	4.0
285.03860	0.8
285.07330	1.2
285.12137	5.6
285.18060	2.6
285.29654	0.9
285.54068	0.7
286.14163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1119
Annotation	Coniferyl benzoate
Peak:m/z	Relative Intensity
53.03936	0.6
55.01858	1.0
55.05505	0.8
56.96560	0.8
57.07091	0.7
59.81803	0.5
65.03944	1.3
66.08439	0.5
67.05491	4.8
67.48380	0.5
69.07059	0.6
70.06583	1.3
70.35998	2.4
71.08601	0.5
74.57681	0.5
79.05488	4.7
81.07049	1.2
88.07625	1.5
89.07941	0.8
91.05487	8.2
93.07038	1.6
95.04966	6.2
95.08587	1.5
101.80932	0.5
102.09161	1.4
103.05457	2.1
103.09510	0.5
105.03391	1.4
105.07027	15.2
107.04955	1.4
107.08591	1.2
109.06556	0.8
109.10171	0.7
115.05457	5.0
117.07015	5.3
119.04951	2.7
119.08580	1.1
121.06545	0.6
121.10204	0.8
123.04424	100.0
124.04754	1.1
129.06908	0.6
131.04913	1.0
133.06496	5.4
135.08014	1.0
135.11639	0.6
137.05933	1.4
143.04922	0.9
145.06488	7.0
147.04375	2.1
147.08029	4.8
147.11707	1.0
149.05991	1.8
151.07500	3.9
157.06464	1.5
157.10132	0.7
160.05161	0.5
161.05965	2.5
162.06755	2.6
163.07538	70.2
164.07857	2.2
165.06993	1.1
171.06177	0.5
175.07545	11.3
187.07513	2.4
187.57661	0.9
192.09129	0.5
195.08083	1.1
199.07587	0.8
208.08687	1.0
220.08868	0.7
221.06021	1.1
223.07553	0.8
225.09068	1.9
234.91684	0.6
237.09186	0.8
239.10599	0.9
252.09727	1.0
253.08578	3.5
257.04355	0.9
260.60049	0.5
267.10101	4.1
268.08304	0.7
268.10950	6.3
268.61017	1.7
270.05154	1.0
276.11679	0.9
276.62234	2.8
277.12491	1.1
285.07428	6.1
285.11169	67.7
285.18173	1.5
285.29785	11.9
286.11792	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Coniferyl benzoate
Peak:m/z	Relative Intensity
53.03951	0.4
54.76982	0.3
55.01863	0.8
63.00625	0.3
65.03932	0.6
67.05499	3.3
68.99774	0.5
70.88443	1.1
77.20995	0.3
79.05482	4.4
84.62531	0.3
91.05470	7.3
93.07021	0.9
95.04958	6.3
103.05450	1.5
105.03371	1.4
105.07022	12.2
106.04128	0.3
107.04942	0.5
115.05433	4.1
117.06990	4.4
118.04180	0.5
119.04906	1.1
119.08560	0.7
121.06440	1.5
123.04413	100.0
124.04787	1.8
131.04898	0.5
133.06479	5.1
135.08058	0.8
137.05988	0.4
145.06454	6.9
147.04401	1.0
147.08031	5.0
148.05138	0.3
149.05974	1.7
151.07526	3.8
152.01056	0.5
153.01808	0.4
157.06505	0.4
161.05954	1.5
161.07098	0.4
162.06726	0.7
163.07524	78.8
164.07899	1.7
165.01721	0.4
165.06963	0.7
170.02087	0.6
173.07103	0.4
175.07529	11.9
183.02896	0.4
187.07552	0.8
191.08415	0.4
195.07950	0.5
209.09607	0.5
213.05348	0.7
221.05824	0.5
221.09425	0.4
225.09038	1.4
229.08618	0.8
237.09100	0.4
239.10603	1.1
242.05681	0.8
253.04939	0.6
253.08498	1.7
267.10147	3.9
268.10748	1.7
268.60983	0.7
269.04398	0.6
270.05185	1.4
276.62283	0.8
277.12433	0.4
285.07593	14.6
285.11154	67.0
286.07956	1.0
286.11511	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1116
Annotation	(-)-Homopterocarpin
Peak:m/z	Relative Intensity
53.03936	0.9
55.01876	1.4
55.05511	1.3
57.03431	0.6
57.07083	0.6
65.03935	0.9
67.05504	4.6
68.99791	0.6
69.03426	1.6
69.07063	1.0
70.03743	0.7
71.62379	0.8
72.08150	0.9
78.41314	0.5
79.05494	5.2
81.03422	1.2
81.07055	3.5
83.04984	1.3
83.08585	0.8
84.04508	1.5
85.02883	1.0
85.04842	1.0
91.05469	7.8
91.05999	0.7
93.07034	2.0
95.04961	8.8
95.08589	2.8
97.02888	2.5
97.10170	0.5
98.03226	1.0
103.05463	2.1
105.03395	1.1
105.07021	16.0
107.04948	1.4
107.08601	1.6
109.06499	0.6
109.10161	0.7
115.05447	4.6
117.07008	5.5
118.06516	0.4
119.04949	1.9
119.08582	2.6
121.06480	1.6
121.10149	1.2
122.10700	0.5
123.04418	100.0
123.11687	0.8
124.04778	1.7
126.05508	0.8
130.04085	0.6
131.01108	0.5
131.04945	1.4
131.08598	0.6
133.06487	5.1
133.10121	0.5
135.08043	0.7
137.05962	0.7
145.06477	6.7
147.04405	2.7
147.08038	6.2
147.11707	2.2
149.05991	1.7
149.09549	0.5
151.07545	4.2
157.10158	1.0
161.05954	2.4
161.07133	1.1
162.06696	0.7
163.07530	81.3
164.07846	1.8
165.06998	2.0
165.12712	0.8
173.13339	0.7
175.07527	13.3
179.08521	0.5
181.06343	0.6
182.07228	0.8
183.02826	0.7
185.13295	0.6
187.07520	1.6
187.14758	0.5
193.06468	1.6
195.08232	0.6
207.08099	0.6
210.06769	1.3
211.07619	0.7
213.09013	0.8
221.05856	2.4
225.09074	3.1
236.08151	0.7
237.09035	0.7
238.06183	0.9
239.10652	1.4
252.09601	1.0
253.08566	7.5
257.07877	0.5
267.10107	4.7
268.10892	4.5
268.54230	0.5
268.60892	1.2
269.04385	0.8
270.05228	0.8
276.62286	1.1
285.07632	6.4
285.11166	72.6
285.22171	1.2
285.25653	2.6
285.28891	0.8
286.11551	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	285.1119
Annotation	Coniferyl benzoate
Peak:m/z	Relative Intensity
55.01889	0.8
59.45561	0.4
65.03938	0.8
67.05499	3.8
70.89942	1.6
79.05498	4.5
91.05477	9.7
91.06011	0.9
93.03538	0.4
93.07072	0.7
95.04963	6.1
103.05462	1.8
105.03394	1.2
105.07023	13.7
106.04128	0.7
107.04977	0.5
109.06479	0.5
115.05462	4.7
117.07031	4.9
119.04932	2.7
119.08579	0.7
121.06496	1.1
123.04423	100.0
124.04768	1.7
133.06482	5.2
135.04460	0.7
135.08066	0.8
137.05962	1.3
141.91750	0.5
145.06499	6.0
147.04408	1.1
147.08038	5.1
149.05981	7.8
151.07541	4.1
161.05946	1.6
163.07536	70.1
164.07924	1.9
175.07542	13.0
187.07555	0.6
201.25331	0.4
225.09161	1.2
239.10591	1.0
253.08556	0.8
267.10187	4.0
268.10925	0.6
283.98248	0.5
285.11200	66.0
286.11490	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	285.0753
Annotation	2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
Peak:m/z	Relative Intensity
55.01859	0.9
55.05495	1.4
55.70667	0.3
57.07068	0.6
67.05498	2.9
68.99781	0.7
69.03423	0.6
69.07066	1.8
71.62469	0.5
72.08153	0.3
77.03875	0.3
79.05495	2.7
81.03399	1.4
81.07040	2.7
83.04974	0.6
83.08611	0.5
85.06561	0.4
91.05470	3.7
93.03391	0.4
93.07037	2.5
95.04956	3.2
95.08604	2.4
97.02872	1.1
97.06530	0.8
99.04453	0.4
99.08091	0.4
103.05447	1.0
105.07029	5.6
107.04944	1.7
107.08578	2.1
109.02879	0.4
109.06532	0.7
109.10139	1.5
111.04448	0.5
111.08018	0.5
113.05956	0.3
113.07982	0.4
115.05459	1.8
117.06969	1.8
118.04175	1.2
118.49474	0.3
119.04954	0.5
119.08563	1.9
121.02874	0.5
121.06481	1.1
121.10133	2.0
123.00797	1.0
123.04420	24.8
123.08035	0.6
123.11720	0.7
124.01618	0.4
127.03057	0.4
127.03915	0.4
128.06210	0.4
129.06982	0.7
131.04892	1.0
131.08560	1.2
133.06473	2.5
133.10107	1.5
134.03668	0.7
135.08139	0.5
135.11696	0.8
137.02306	0.6
137.05949	0.9
140.06180	0.3
141.01773	0.6
141.06964	1.0
143.08537	0.5
145.06493	2.0
145.10109	1.4
146.03622	0.6
147.04401	3.1
147.08025	1.3
147.11662	1.4
149.05962	1.0
149.09535	0.4
151.07545	1.2
152.01027	3.4
152.06215	0.8
153.01807	1.3
153.06985	1.2
154.07784	0.5
155.08562	0.6
157.06432	0.7
157.10080	1.1
159.11659	1.1
161.05939	3.0
162.06685	1.0
163.07530	15.8
165.01816	1.9
165.06989	4.2
167.08600	0.5
168.05685	3.1
169.06439	0.7
170.02089	5.3
171.06233	0.4
171.11638	0.8
173.05891	0.4
173.13261	0.8
175.07526	2.7
181.06458	1.3
182.07275	1.4
183.02904	3.7
183.08046	5.4
183.11639	0.6
185.13258	0.9
186.06723	1.4
187.07512	1.8
187.57707	0.5
189.16409	0.3
193.06458	3.2
193.12248	0.5
194.07234	0.8
195.08015	0.7
196.05179	2.0
196.08862	0.4
197.05962	1.5
201.05486	0.4
201.09131	0.5
208.08739	0.5
210.06743	2.2
211.07558	5.2
211.14784	0.5
212.08157	0.4
213.05449	1.5
213.08992	0.5
214.06258	2.3
215.07079	0.4
215.17955	0.5
221.05911	3.8
222.06639	0.5
224.04652	0.5
225.05502	0.9
225.09084	6.5
227.06999	0.5
229.05052	0.7
229.08572	10.1
238.06238	1.6
238.09767	0.6
239.07019	3.2
241.04984	0.5
242.05704	2.7
243.06233	0.5
252.09605	0.9
253.04832	1.6
253.08595	14.3
254.09232	0.6
257.04355	0.5
257.08084	0.7
264.69824	0.4
267.10214	1.3
267.15683	0.4
267.21408	0.7
268.10889	3.1
268.61029	0.7
269.04395	3.8
270.05188	6.3
270.08521	0.7
271.05963	0.7
276.11642	0.4
276.62143	1.2
284.29517	0.6
285.07550	100.0
285.11127	24.5
285.21817	3.1
285.29681	0.5
286.08139	4.0
286.11267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
63.07499	0.1
68.99773	0.1
71.28922	0.3
71.32029	0.1
75.00499	0.1
83.67609	0.1
91.05377	0.1
96.46233	0.1
105.07016	0.1
107.04951	0.7
118.04142	7.1
118.78734	0.1
119.04886	0.5
123.04387	0.2
124.01553	1.5
135.11710	0.1
137.39856	0.1
152.01019	3.0
153.01808	8.0
163.03873	0.3
167.03374	0.3
169.81805	0.1
170.02084	4.5
187.07448	0.1
197.05962	0.1
211.07527	0.2
213.05467	0.6
229.08591	0.2
241.04935	0.3
242.05682	1.3
253.05020	0.2
257.08124	0.2
267.06497	0.2
268.10718	0.1
269.04416	15.1
270.05188	32.6
271.05566	0.9
285.07535	100.0
286.07922	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0754
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
55.05502	0.3
56.96551	0.4
61.22345	0.2
63.00012	0.3
67.05489	0.6
68.39655	0.2
68.99778	0.4
69.07036	0.3
71.30984	0.5
73.74730	0.2
79.05471	0.6
81.03396	0.5
81.07044	0.6
83.08629	0.3
85.02840	0.3
91.05478	0.4
93.07018	0.3
95.04955	0.6
95.08591	0.5
98.97572	0.3
105.07027	0.8
107.04932	0.5
111.00771	0.4
115.05430	0.3
116.98636	0.4
117.07034	0.3
118.04147	2.3
119.04964	0.5
121.02866	0.6
123.04425	4.4
124.01571	1.9
131.04919	0.4
133.06493	1.6
133.10048	0.3
139.03938	0.6
141.06946	0.4
145.06429	0.4
147.04401	1.1
147.11690	1.8
149.01241	0.4
149.02318	3.4
152.01030	2.2
153.01822	3.1
158.03624	1.5
163.03809	0.4
163.07492	0.3
165.06987	0.3
167.03445	0.7
168.05679	0.4
169.06464	0.7
170.02089	6.0
179.03360	1.0
183.08067	0.3
186.06714	0.6
197.05966	1.7
201.05505	0.6
203.60149	0.3
211.07512	0.3
213.05432	3.8
214.06158	0.6
225.05438	0.5
225.09155	0.3
229.05066	0.4
229.08583	6.4
241.04997	1.1
242.05734	6.5
252.04158	0.9
253.04962	4.7
253.08521	0.4
257.08139	0.9
269.04440	5.5
270.05194	8.7
284.62897	1.2
285.07556	100.0
286.07858	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	285.0755
Annotation	Biochanin_A
Peak:m/z	Relative Intensity
51.01030	0.1
52.98062	0.2
53.25216	0.1
55.05498	0.2
67.05492	0.2
68.99787	0.2
69.07030	0.2
69.60157	1.4
71.04992	0.2
75.47543	0.1
79.05485	0.2
81.03425	0.3
81.07021	0.4
81.96068	0.2
89.03899	0.3
95.04935	0.2
95.08574	0.3
97.02917	0.2
105.03397	0.2
105.07014	0.2
107.04972	0.2
109.02917	0.2
115.05458	0.3
117.03294	0.2
121.06517	0.2
123.04403	0.6
129.06967	0.3
131.04955	0.2
133.02934	0.2
134.03629	5.7
137.02325	10.0
141.06981	1.4
145.06363	0.2
147.04393	0.3
153.06911	0.2
154.02609	0.4
155.04996	0.2
157.06407	0.3
158.07265	0.4
161.05893	0.2
163.03870	0.2
163.07526	0.3
165.07018	0.3
168.05685	0.4
169.06464	1.2
180.59695	0.2
181.06432	0.5
183.02960	0.2
183.04425	0.5
185.05856	0.8
186.06746	1.6
187.07573	0.3
193.06429	0.4
193.12196	0.3
196.05133	0.5
197.04132	0.2
197.05968	4.4
200.04674	0.2
209.05908	0.2
210.06731	0.3
213.05455	8.7
214.06224	5.1
215.06682	0.2
221.06032	0.3
224.04636	0.3
225.05453	12.9
225.09106	0.6
226.05717	0.3
229.05113	0.3
229.08575	1.6
241.04852	0.5
242.05641	1.3
252.09662	0.3
253.04942	17.9
253.08429	0.9
254.05315	0.6
257.08142	0.5
269.04446	4.2
270.05212	26.9
271.05533	0.9
272.70456	0.2
276.62369	0.2
285.07556	100.0
286.07898	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	Acacetin
Peak:m/z	Relative Intensity
50.13790	0.2
50.66616	0.2
54.46335	0.2
55.01814	0.4
55.05434	0.8
55.05668	0.3
62.99954	0.2
67.05424	1.4
68.99725	0.4
69.03381	0.2
69.07005	0.5
70.06548	0.4
71.04912	0.3
76.61061	0.2
79.05400	1.1
81.03320	1.3
81.06965	2.1
83.04900	0.4
83.08527	0.6
85.02827	0.3
85.06460	0.3
91.05466	1.8
93.07018	1.3
95.04871	1.0
95.08588	1.2
97.02819	0.4
97.06451	0.4
99.04382	0.3
100.11163	0.3
103.05402	0.3
105.07018	2.3
107.04860	1.0
107.08511	0.9
109.02751	0.3
109.10084	0.6
111.07981	0.4
115.05386	0.3
117.06935	0.3
118.04140	6.7
119.04914	0.5
119.08469	1.0
121.06420	0.3
121.10034	0.9
123.04424	6.9
124.01583	1.7
124.03855	0.9
127.03835	0.4
129.06926	0.4
131.04858	0.6
133.06425	0.5
133.10022	0.7
135.04309	0.3
135.07986	0.3
137.02306	0.4
137.09523	0.4
141.06898	0.3
143.08452	0.3
145.06386	0.6
145.10068	0.6
146.03627	0.2
147.04298	0.9
147.07925	0.7
147.11610	0.7
149.05916	0.9
149.09554	0.4
151.07483	0.4
152.01050	1.9
153.01808	7.1
157.06424	0.5
157.10066	0.6
159.11652	0.3
160.05037	0.2
161.05920	0.7
161.13203	0.3
163.03864	0.3
163.07520	4.8
165.01733	0.8
165.06999	1.2
165.12680	0.3
170.02092	4.4
171.06213	0.2
171.11678	0.3
175.07466	0.7
181.06438	0.5
182.07146	0.4
183.02911	1.1
187.07454	0.5
189.16389	0.2
193.06400	0.9
193.12221	1.2
194.07224	0.2
195.07959	0.2
197.05907	0.2
210.06688	0.8
211.07518	0.3
211.13190	0.5
213.05394	0.8
218.67787	0.2
221.05925	1.0
224.04640	0.3
225.09111	1.5
229.05008	0.4
229.08347	0.3
239.06987	0.3
241.04988	0.4
242.05693	6.4
243.06049	0.4
253.08571	3.8
257.04327	0.3
257.08130	0.3
267.16028	0.4
268.10901	1.1
268.13406	0.5
269.01462	0.5
269.04428	12.9
270.05203	38.3
271.05466	1.2
276.62119	0.3
285.07562	100.0
285.11047	6.4
285.22153	1.0
286.07761	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0755
Annotation	2-Carbomethoxy-6-methoxyxanthone
Peak:m/z	Relative Intensity
55.01855	0.7
55.05492	0.8
57.03420	0.5
57.07076	0.4
65.03939	0.3
67.05495	1.7
68.99780	0.9
69.03423	0.8
69.03772	0.3
69.07056	0.8
70.06568	0.5
70.82995	0.3
71.04967	0.4
71.62405	0.5
73.28755	0.3
79.05487	1.6
81.03411	1.1
81.07043	2.1
83.04961	0.5
83.08609	0.6
84.68884	0.3
85.02904	0.6
89.03932	0.3
91.05463	2.6
93.07032	1.4
95.04962	1.9
95.08607	2.2
97.02889	0.3
97.06489	0.4
102.92067	0.3
103.05439	0.6
105.03379	0.5
105.07013	3.3
107.04955	1.1
107.08595	1.2
109.02866	0.5
109.06539	0.3
109.10150	1.2
111.08085	0.5
113.06004	0.4
115.05417	1.4
117.07019	1.1
118.04145	1.1
119.04935	0.8
119.08577	1.2
121.02863	0.5
121.06495	0.8
121.10168	0.8
123.04418	14.8
123.08041	0.6
123.11731	0.6
124.01585	0.6
127.03854	0.3
128.06201	0.4
129.06973	0.7
131.04932	1.2
131.08592	0.5
133.06471	1.4
133.10132	0.9
134.03601	5.1
135.11725	0.3
137.02322	9.2
137.05969	0.7
137.09625	0.4
141.01825	1.0
141.06981	1.0
143.08638	0.4
145.06473	1.2
145.10072	0.5
146.03586	0.6
147.04382	2.3
147.08052	1.0
147.11644	1.0
149.02325	0.7
149.05971	1.3
149.09599	0.6
151.07524	1.1
152.01047	0.4
153.01808	1.0
153.06992	0.6
155.04913	0.5
155.08635	0.5
157.06516	0.9
157.10117	1.0
158.03603	0.3
159.11710	0.7
161.05960	3.3
162.06786	1.1
163.03931	0.5
163.07526	9.8
163.11131	0.4
165.01831	3.0
165.06979	3.3
166.90109	0.3
168.05583	0.3
169.06505	1.4
169.10136	0.6
170.02043	1.5
171.06195	0.5
171.11774	0.6
175.07547	2.2
179.03409	0.3
181.06487	1.1
182.07259	1.3
183.02892	5.9
183.04425	0.7
185.05972	0.8
186.06750	1.4
187.07535	1.1
191.03294	0.5
192.09377	0.4
193.06520	2.7
193.12242	0.8
194.07253	0.4
195.08116	0.9
197.05962	3.7
199.07617	0.4
207.08098	0.3
208.08789	0.4
210.06732	2.9
211.07588	0.8
211.14972	0.3
213.05455	7.4
214.06253	4.9
215.06851	0.3
221.05980	3.2
221.15413	0.3
223.23390	0.3
224.04602	0.4
225.05482	8.9
225.09027	5.8
229.05077	0.7
229.08585	2.7
229.15916	0.4
238.06256	1.6
239.07028	0.7
239.10594	0.3
241.04973	0.8
242.05676	2.5
252.09634	0.7
252.60013	0.4
253.04979	10.3
253.08604	11.5
254.05460	0.4
254.09303	0.7
257.04373	0.9
257.08203	0.7
267.10107	0.6
268.10934	2.4
268.61087	0.8
269.04431	5.0
270.05197	24.1
271.05560	0.9
276.11594	0.7
276.62289	1.1
284.29379	0.5
285.07584	100.0
285.11121	15.5
285.22101	1.8
286.07956	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	285.075
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
65.67461	0.1
68.99763	0.2
71.09319	0.1
71.09661	0.1
72.08111	0.1
75.10915	0.1
89.03886	0.1
90.04665	0.1
91.05425	0.2
107.04942	0.6
111.74426	0.1
116.11485	0.1
118.04147	7.0
119.04978	0.4
123.04398	0.3
124.01559	1.7
135.04385	0.1
137.02226	0.1
145.06505	0.1
147.04437	0.1
149.02322	0.1
151.99811	0.1
152.01024	2.6
153.01813	7.4
154.02090	0.1
158.03503	0.1
163.03938	0.4
167.03354	0.2
168.05672	0.1
170.02095	4.6
172.05190	0.1
185.05789	0.1
197.05963	0.1
201.09059	0.1
211.07574	0.1
213.05450	0.6
214.06177	0.1
229.08594	0.3
239.07187	0.1
241.04999	0.2
241.32085	0.1
242.05713	1.3
252.04208	0.1
253.05092	0.1
257.08160	0.1
266.09286	0.1
267.06622	0.1
268.10843	0.1
269.04431	13.5
270.05197	32.3
271.05579	1.0
285.07550	100.0
286.07898	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	284.1854
Annotation	Amabiline
Peak:m/z	Relative Intensity
55.01864	3.7
55.05499	2.8
56.05024	0.6
56.96548	1.1
57.07052	0.8
58.06579	1.9
63.00043	0.7
65.56883	0.5
67.05477	1.5
69.03409	0.9
69.07038	1.2
69.73600	0.6
70.06587	27.3
70.21783	3.0
72.08147	6.4
79.05499	3.7
81.07055	6.3
82.06557	1.4
82.07372	0.7
84.04491	0.9
84.08157	3.0
84.37147	0.6
85.02911	0.7
86.06054	0.8
86.09677	0.7
87.04465	3.3
89.10754	0.8
91.05419	0.9
93.07007	1.0
94.06548	0.9
95.04927	0.9
95.08588	1.0
96.08096	2.2
97.02867	1.0
97.06522	28.3
97.77179	0.5
98.06045	1.3
98.06829	2.1
98.09103	1.0
98.09684	14.5
99.04407	0.7
99.10009	1.6
100.07572	0.9
101.02446	0.6
105.06965	0.7
107.08552	0.7
109.02846	0.9
109.06501	0.8
110.06031	0.8
110.09643	0.9
112.07562	2.1
112.11214	0.7
113.05984	0.7
121.02845	0.6
123.04366	0.7
123.08047	1.1
124.03913	1.4
124.07550	1.1
124.11221	30.3
124.12135	1.4
125.05985	23.9
125.11555	2.7
126.06287	2.0
127.03947	0.8
135.08012	1.5
140.07047	1.6
141.01772	0.6
142.12199	1.7
143.07025	3.2
147.04367	4.0
151.07510	0.8
158.05786	0.7
163.03920	0.7
169.08513	0.7
181.08521	0.9
194.11613	1.4
212.12808	32.0
212.14661	1.4
218.11778	0.6
224.10692	0.9
224.12791	13.2
224.14740	1.6
242.13850	27.3
243.14146	1.2
252.13986	0.6
266.17148	10.0
266.19473	3.2
268.10825	1.0
284.18427	100.0
284.29166	3.2
285.18790	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	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
51.08231	2.5
53.03938	4.9
55.01864	6.1
55.05511	25.6
56.96547	3.8
57.03426	9.3
57.07065	5.6
59.05008	3.1
67.05503	26.8
69.03405	5.7
69.07061	25.3
70.03983	8.7
70.04395	5.7
70.06573	2.5
71.04984	22.6
71.08598	2.4
79.05479	27.5
81.03397	6.6
81.07051	54.2
83.04955	9.8
83.08616	14.0
89.06020	6.8
91.05470	29.8
93.07038	49.9
95.04951	15.4
95.08604	32.3
97.02868	7.3
97.06505	19.0
97.10165	4.8
98.09662	5.6
103.05467	3.6
105.06384	4.4
105.07030	61.8
107.04948	5.7
107.08587	36.0
109.06500	5.4
109.10142	26.5
111.04388	4.1
111.08022	2.8
112.98915	2.6
116.57703	2.4
117.07001	16.2
119.04956	3.7
119.08565	40.6
121.06483	7.5
121.09316	5.5
121.10141	97.9
123.04395	5.7
123.08038	11.3
123.11679	7.6
124.11248	12.9
125.05962	7.1
125.09599	5.1
128.06238	6.6
129.06976	11.2
130.07762	8.7
131.04926	3.0
131.08549	37.5
133.10132	37.3
135.08101	12.5
135.11703	15.5
137.09610	3.1
137.93636	2.5
141.06903	3.8
142.07692	4.9
143.08539	20.4
144.09299	4.5
145.10115	55.3
147.04375	6.1
147.11653	10.2
149.06009	3.3
149.09648	4.6
153.12671	4.7
155.08580	4.5
156.09286	4.8
157.10129	22.9
158.10861	9.1
159.11703	19.2
161.09589	31.2
161.13217	6.3
163.11203	17.7
165.06873	2.7
169.10107	4.1
171.08080	2.6
171.11694	16.4
173.09592	6.0
173.13258	53.5
175.11023	4.0
175.14822	6.0
179.08551	5.5
181.10094	3.1
183.11632	5.8
185.09621	2.8
185.13251	11.6
187.14760	8.1
191.10593	3.1
194.10901	6.3
195.11678	4.7
197.13165	2.9
199.14774	5.9
209.11630	11.0
209.13280	9.6
211.14514	3.8
213.16295	4.9
218.76909	2.4
223.14650	8.5
227.12607	4.6
227.34787	2.7
255.21161	5.4
265.19357	29.7
271.11450	3.4
283.06149	12.5
283.09436	12.9
283.15475	17.2
283.20395	100.0
283.23364	4.8
284.12793	4.0
284.21063	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	283.2052
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
50.75649	1.5
53.03928	4.4
55.01855	2.9
55.05509	13.6
57.03430	2.7
57.07061	6.7
64.86919	1.5
65.03935	2.7
67.05497	25.2
69.03416	7.1
69.07061	14.5
71.04981	18.3
71.08602	2.2
71.39561	1.3
71.63114	2.8
79.05486	26.0
81.07051	52.4
83.04955	6.2
83.08624	9.4
85.06584	1.8
91.05468	30.3
93.07033	58.1
94.20996	1.5
95.04951	17.2
95.08594	35.6
97.06528	12.3
97.10183	2.3
98.09673	3.7
103.05464	2.6
105.07016	60.2
107.08582	41.5
109.06520	11.2
109.10138	24.7
110.02982	1.7
111.08031	2.7
115.05416	3.5
117.07002	15.6
119.04913	1.6
119.08568	48.3
121.02866	1.8
121.06528	8.8
121.10129	85.9
122.10435	1.8
123.08054	9.3
123.11662	7.4
124.11208	6.7
125.05950	5.0
125.09591	1.9
127.80217	1.5
128.06213	4.9
129.06998	9.1
130.07774	7.5
131.04871	2.3
131.08553	44.6
133.10112	40.9
135.08044	9.0
135.11668	11.7
137.09613	2.8
142.07762	4.7
143.08545	24.1
144.09293	2.8
145.06433	2.3
145.10114	46.3
146.07211	3.2
147.08055	4.4
147.11670	13.8
149.09602	2.9
149.13187	3.2
153.07027	2.2
155.08559	4.8
156.09338	6.0
157.10120	22.0
158.10889	8.0
159.08051	4.4
159.11662	15.7
161.09612	27.6
161.13225	5.5
163.11127	7.6
163.14810	3.8
165.07014	2.2
166.07794	2.6
167.08553	4.4
168.50821	1.6
169.10097	6.6
170.10899	1.7
171.11694	13.8
173.09602	4.6
173.11729	3.7
173.13240	74.9
174.13593	3.3
175.11189	3.6
175.14859	8.2
179.08528	4.6
181.10152	6.1
183.11676	7.6
184.12312	1.7
185.09619	2.3
185.13200	9.1
187.14873	9.0
189.12775	3.3
191.14302	12.4
193.10063	1.6
193.57196	3.0
194.10838	3.1
195.07959	2.1
195.11690	7.7
196.12587	2.5
197.13268	7.3
199.11050	1.8
199.14880	8.5
201.12721	2.7
201.16335	5.3
206.15678	1.9
207.11734	2.0
208.12526	3.2
209.13245	9.0
211.14792	3.4
213.12703	3.5
213.16341	4.2
223.14738	8.1
225.16399	4.3
227.14325	7.0
227.17865	1.5
237.16344	3.2
239.17961	3.5
241.15793	2.3
250.17162	2.6
253.19652	2.1
255.21101	11.0
265.19485	26.8
274.60818	1.8
275.61273	2.0
283.06039	7.8
283.09338	3.1
283.20511	100.0
284.20874	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	283.2014
Annotation	Cadiamine
Peak:m/z	Relative Intensity
55.01853	2.0
55.05498	1.0
58.06568	0.6
60.09452	0.4
67.05489	0.4
69.07045	0.6
70.06584	10.8
70.98882	0.7
79.05471	1.9
81.07055	3.0
82.06554	0.5
83.07423	0.4
84.08135	1.6
86.06065	1.6
91.05498	0.6
93.07027	1.0
96.08111	2.4
97.06526	22.1
98.09684	16.0
100.07624	0.7
100.20473	0.4
105.07027	0.4
108.08100	0.6
110.09660	0.6
114.05461	0.4
124.07608	2.7
124.11222	21.2
125.05982	35.3
135.08073	0.5
136.11079	0.5
142.08624	11.3
142.12225	0.9
145.10141	0.5
150.09131	30.1
150.12689	0.8
151.07506	1.2
152.10693	0.5
155.41292	0.4
162.09140	1.9
163.07506	0.8
164.10699	1.5
168.10211	0.5
180.10185	20.4
181.10750	0.4
193.12045	0.4
194.11783	2.3
205.13419	0.5
211.14397	25.9
212.14748	0.4
223.12148	0.4
223.14375	7.7
235.18054	1.0
241.15462	11.1
247.18117	0.7
265.19098	27.4
266.17542	0.4
283.20139	100.0
284.20459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85706	0.4
55.01860	2.8
55.05496	1.3
56.05024	0.4
58.04740	0.3
58.06587	1.1
67.05479	0.6
70.06586	10.5
70.10157	1.8
71.04977	0.6
72.08147	2.2
79.05479	2.9
81.07054	3.4
82.06561	1.0
82.24225	0.3
83.42549	0.4
84.08141	1.7
85.73618	0.3
86.06065	1.8
86.09696	0.4
87.04453	0.4
89.10809	0.4
91.05454	1.1
93.07018	1.4
94.06547	1.0
96.08119	3.3
97.06522	27.8
98.06033	1.3
98.06876	0.5
98.09685	17.7
99.04411	0.5
99.10021	0.5
100.07589	1.0
105.07013	0.5
105.53076	0.3
108.08076	0.7
110.07150	0.5
110.09682	1.0
114.05511	0.7
114.09162	0.5
116.07080	1.0
119.08479	0.4
120.08100	0.5
122.06013	0.4
122.09637	0.9
124.07568	2.5
124.11220	31.0
125.02355	0.5
125.05979	33.8
125.11585	0.4
131.08463	0.4
133.06442	0.4
134.09656	0.5
135.08023	0.9
136.11200	1.0
138.05490	3.8
142.07539	0.8
142.08623	10.9
142.12286	1.2
145.02805	1.7
150.09126	21.9
150.12775	1.3
151.07558	1.1
152.05684	2.3
152.10625	0.6
153.01741	0.5
162.09122	2.1
163.07480	0.6
164.10718	1.6
168.10182	0.6
168.13847	0.9
177.05461	3.2
180.08588	0.8
180.10172	15.4
181.10426	0.5
192.10184	0.5
194.11768	2.3
206.11801	0.9
211.14391	20.1
212.12752	0.6
223.14389	11.6
235.18030	0.9
241.15456	7.8
247.18059	0.9
265.15622	2.8
265.19080	37.4
266.10129	1.2
266.17160	0.6
266.19641	0.8
283.13223	2.1
283.17102	3.7
283.20129	100.0
284.20938	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46468	0.5
53.03935	0.8
55.01863	1.8
55.05495	4.2
56.05032	1.1
56.96557	1.4
57.07068	1.7
58.06593	1.3
59.15936	0.5
63.97585	0.6
65.03961	0.9
66.49421	0.6
66.49783	0.6
67.05492	2.3
69.03434	2.6
69.07069	3.1
69.67679	3.9
70.00504	0.5
70.06584	8.9
71.04990	1.1
71.08609	1.2
72.08151	18.8
73.06538	1.5
79.05486	3.6
80.05016	0.7
81.03411	0.9
81.07058	3.8
82.06564	1.2
83.04953	1.2
83.08621	1.4
84.08140	4.1
85.02892	2.5
85.10192	0.6
86.06052	1.8
86.09680	1.3
89.06001	0.6
89.10817	0.8
91.05473	2.0
93.07046	4.0
94.06567	1.1
95.04974	3.2
95.08596	2.1
96.05317	0.8
96.08113	3.0
97.02886	1.6
97.06529	7.7
97.10152	1.0
98.06041	3.0
98.09701	7.2
100.07622	1.4
103.47167	0.6
104.56826	0.6
105.07006	1.4
107.04934	2.3
107.08589	1.7
108.08105	2.4
109.02866	1.0
109.10144	0.9
110.05974	0.6
110.09680	5.3
111.04431	0.7
111.08032	0.8
112.07607	1.5
112.62561	0.6
113.05975	1.0
114.05522	1.2
114.06308	0.6
115.08636	1.0
116.07098	1.1
116.98620	0.8
117.07016	1.2
119.04923	1.3
119.08591	0.9
120.08089	1.4
121.02863	8.4
121.06529	0.8
121.10127	1.4
123.04402	0.7
123.07936	0.8
124.03924	0.9
124.07551	2.1
124.11225	13.9
125.05995	5.8
125.11568	2.3
127.03911	0.8
130.08675	0.7
131.08554	1.0
134.99643	0.8
135.04425	1.8
135.08076	0.8
135.11678	0.8
136.06146	1.5
136.11224	1.4
137.05966	2.6
138.09178	1.5
139.03844	0.8
140.03381	0.5
140.07054	1.9
141.05441	2.2
142.05795	2.0
142.08641	2.2
142.12260	1.1
145.05002	0.6
147.04390	3.4
148.07545	0.9
149.05960	2.4
149.13301	0.9
150.09146	2.4
151.03966	0.9
151.07533	2.1
162.09140	1.6
163.03844	1.3
163.07555	0.9
163.11201	0.6
164.10701	10.8
167.07042	1.2
177.05373	1.2
178.08618	0.8
180.10214	1.6
182.11787	0.8
196.13408	0.7
198.14987	0.6
206.08206	0.5
206.11795	1.6
211.14493	1.0
211.55212	0.5
216.31950	0.6
219.15126	0.6
220.13347	1.2
221.63553	0.6
223.14400	54.0
224.12827	3.9
224.14632	0.7
230.88358	0.6
237.16017	3.9
239.17647	1.1
241.12743	0.7
241.15289	1.2
247.14478	0.7
248.12802	1.1
260.04623	0.6
265.15491	4.3
265.19064	7.6
266.13852	14.5
266.16913	0.8
268.97784	0.8
283.16589	100.0
283.20117	49.9
284.17056	0.8
285.00909	0.9
301.05960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03919	1.9
55.01624	1.2
55.01870	21.1
55.05508	38.7
57.03433	33.1
57.07063	4.1
59.04998	5.6
65.03925	1.2
67.05167	1.5
67.05500	23.8
69.03397	3.5
69.07067	8.6
70.15488	5.8
71.01347	2.4
71.04981	8.0
71.08619	1.4
79.05058	2.2
79.05489	35.1
79.05952	1.7
81.03412	18.8
81.06572	1.9
81.07048	36.0
83.00877	1.6
83.01335	21.8
83.04980	22.2
83.08140	1.4
83.08614	23.1
85.02888	6.8
85.06515	2.1
89.06031	1.6
91.05474	23.4
91.05994	0.9
93.07039	45.3
95.04958	13.7
95.08602	18.1
97.02872	3.2
97.06509	9.7
97.10149	3.1
99.04448	6.8
103.05428	2.4
105.07027	15.3
107.04951	15.4
107.08579	25.4
109.06519	11.7
109.10120	5.5
111.04420	5.8
111.08060	3.7
111.11715	1.3
117.07015	12.7
119.08572	17.7
121.06493	6.1
121.10124	16.4
122.62685	1.4
123.08053	16.6
125.05964	3.9
125.09626	3.1
129.06992	2.6
130.07794	2.5
131.08585	5.2
133.10130	5.5
135.08017	3.6
135.11673	27.7
137.09595	3.0
139.07559	2.6
145.06480	2.2
145.10110	32.2
147.08006	4.0
153.12701	7.9
155.08528	2.1
161.09485	1.3
163.11165	60.7
164.11397	1.4
173.09593	9.4
181.12209	11.8
191.10658	7.9
209.11717	24.7
227.12787	13.0
265.21588	1.3
283.15369	100.0
283.20450	3.4
283.24017	3.4
284.12811	1.4
284.15823	1.7
287.40076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.4
55.05509	15.6
57.03428	14.8
57.07074	6.6
65.03928	3.1
67.05502	21.0
69.07060	15.5
71.04984	6.0
71.62213	3.6
79.05492	23.7
81.03411	4.8
81.07049	26.6
83.01382	2.9
83.04974	10.7
83.08610	15.0
89.06049	4.9
91.05480	13.6
93.07032	41.4
93.77773	2.9
95.04969	8.4
95.08604	46.6
97.02899	6.0
97.06526	5.6
97.10101	4.5
99.04449	5.3
105.07022	9.3
107.04938	12.0
107.08595	29.9
109.10139	8.1
111.04440	7.0
112.08675	3.0
113.06024	3.3
117.07024	11.0
119.08583	8.3
121.06477	8.8
121.10135	16.5
125.05943	4.1
125.29465	3.7
133.08606	3.7
133.10168	3.9
135.11684	51.9
145.10120	32.5
153.12721	4.9
155.08604	3.2
163.11180	61.1
173.09593	3.6
181.12254	14.3
191.10579	4.7
209.11838	6.0
215.67555	3.7
227.12752	100.0
227.14902	6.5
244.59622	3.1
274.60648	10.3
275.10574	3.6
283.11975	9.3
283.15280	56.1
283.20328	8.6
284.12762	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	283.1538
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03926	4.5
55.01872	21.5
55.05264	2.8
55.05505	42.9
57.03438	37.3
57.07043	5.0
59.04991	4.1
61.53338	2.7
67.05503	31.1
68.95454	2.6
69.07040	11.8
69.32065	33.3
71.01352	3.0
71.04984	7.3
71.76613	2.9
79.05486	41.9
79.18340	2.8
81.03417	20.0
81.07053	44.8
83.01340	21.6
83.04983	28.7
83.08621	24.7
85.02881	8.2
89.05983	3.8
91.05477	22.8
93.07050	51.5
95.04971	15.6
95.08629	17.7
97.02859	5.2
97.06508	11.7
97.10165	6.2
99.04440	4.4
105.06358	2.5
105.07027	18.5
107.04945	13.0
107.08593	26.1
109.06487	11.8
109.10116	9.5
111.04412	11.5
111.08064	5.8
115.24937	2.7
117.06989	12.0
119.08578	17.8
121.06490	4.9
121.10143	23.9
123.04395	3.0
123.08071	19.0
125.05966	5.8
129.06987	4.1
130.07770	4.1
131.08566	4.1
133.08614	3.0
133.10085	5.6
135.08057	4.0
135.11697	27.7
143.08543	3.6
145.10115	36.3
147.08037	3.0
153.12726	9.3
155.08517	4.1
163.11165	63.5
173.09583	8.5
181.12253	13.7
191.10603	11.4
209.11642	15.9
227.12691	14.2
247.57556	2.5
283.05942	3.5
283.15326	100.0
283.20273	10.3
283.26706	4.0
291.73788	3.3
295.10846	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	282.1697
Annotation	Isocycloheximide
Peak:m/z	Relative Intensity
50.35137	0.3
55.01851	2.2
55.05500	1.3
62.01282	0.3
67.05223	0.4
67.05501	4.3
68.05029	0.5
69.36893	1.7
69.37321	2.4
70.06593	3.7
71.04627	0.6
71.04989	4.9
72.08141	1.1
77.18729	0.3
79.05488	1.1
81.07059	3.2
84.08141	1.3
87.04452	0.5
93.07052	0.6
95.04962	15.9
96.08079	0.5
98.09688	10.2
98.10332	0.6
98.20746	0.8
100.07603	2.2
109.08746	0.4
113.05997	21.2
121.02863	0.4
124.11221	29.4
136.06181	1.3
141.05457	40.5
142.05766	0.6
142.12250	7.1
150.07692	0.4
150.12772	0.4
155.07043	1.0
158.82121	0.4
159.23769	0.4
210.11275	0.8
212.12894	0.4
228.98108	0.4
240.12288	2.8
250.12852	0.6
252.15898	0.5
264.15915	5.5
264.18387	0.5
282.16986	100.0
283.17291	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	283.0598
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
51.12656	0.1
53.03925	0.1
55.01623	0.2
55.01869	2.2
55.05500	0.3
57.07066	0.2
65.03925	0.4
67.01831	0.2
67.05494	0.3
68.99778	0.9
69.03411	0.2
69.07050	0.5
69.74000	0.4
69.74427	0.6
71.04974	0.2
77.54852	0.1
77.65249	0.1
79.01836	0.6
79.05470	0.4
81.03391	0.5
81.07039	0.6
83.08592	0.2
89.06012	0.2
91.05476	1.1
92.99737	0.1
93.07043	0.3
95.08616	0.7
96.58805	0.1
97.02876	0.4
97.06523	0.2
99.00818	0.3
105.07027	0.2
107.04946	0.5
107.08579	0.3
109.02852	0.3
109.10183	0.3
111.04402	0.3
115.05482	0.2
117.07010	0.2
119.04936	1.6
119.08558	0.2
121.02861	6.9
121.10133	0.3
125.05978	0.1
128.06218	0.2
131.04892	0.3
131.08549	0.2
133.02806	0.2
133.10109	0.2
134.99649	0.1
135.11723	0.2
137.02327	2.4
141.01817	4.9
143.08533	0.3
145.06468	0.5
145.10100	0.2
147.04312	0.1
152.04875	0.2
152.06226	0.4
153.06981	0.4
155.03397	0.8
157.06427	0.2
161.02287	0.2
163.11224	0.2
165.01828	8.0
165.07071	0.2
169.06300	0.2
171.08023	0.8
173.05995	0.4
181.06441	1.0
183.02888	8.4
184.03197	0.1
184.05191	0.2
184.66725	0.1
185.06090	0.2
187.03934	0.1
197.05954	0.2
199.07510	0.6
209.06027	0.4
213.05450	0.1
227.06975	0.6
229.04890	1.0
237.05499	0.3
255.06517	2.2
256.06915	0.2
265.04980	0.5
265.19016	0.2
283.05994	100.0
284.06326	4.1
284.09430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1698
Annotation	Isocycloheximide
Peak:m/z	Relative Intensity
55.01862	2.2
55.05494	1.6
56.05028	0.4
57.07063	0.4
58.06588	0.4
67.05502	3.8
68.05001	0.7
70.06595	3.3
71.04640	0.4
71.04987	4.2
71.37531	0.5
71.37853	0.5
72.08154	2.9
79.05473	2.5
81.07050	7.4
82.06568	1.0
84.08112	1.9
86.09667	0.5
91.05447	1.1
93.07012	0.8
94.06516	0.5
95.04962	14.2
95.08591	0.7
96.08109	1.1
97.06534	0.4
98.06052	0.4
98.09689	19.2
98.10325	1.0
100.07617	2.3
107.04926	0.8
108.08098	0.5
109.02859	0.7
109.08910	0.7
110.05981	0.4
113.05998	21.3
116.44940	0.4
117.82113	0.4
119.04911	0.9
120.08088	0.6
121.02853	0.7
122.09612	0.8
124.11219	51.7
126.76521	0.4
127.07580	0.5
132.07964	0.5
133.06419	0.4
133.08861	0.7
135.04492	0.5
141.05452	38.4
142.12250	7.1
142.35033	0.4
147.04373	2.0
150.12712	1.1
155.07030	0.9
170.48805	0.4
177.00589	0.6
192.10199	1.4
200.47647	0.4
202.08646	0.5
210.11250	1.0
224.91997	0.4
236.16475	0.6
240.12279	1.3
252.15858	1.1
264.15948	6.1
264.18420	0.6
265.14310	1.1
280.16882	0.4
282.10553	2.2
282.16971	100.0
283.17288	2.2
283.20221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1699
Annotation	Isocycloheximide
Peak:m/z	Relative Intensity
55.01861	3.5
55.05489	1.3
56.96526	0.6
57.03427	0.8
61.02904	1.2
67.05502	4.4
67.92268	0.5
68.90841	0.4
69.03392	2.3
70.06586	4.3
71.04989	5.2
71.35370	0.7
71.35701	0.7
72.08129	1.2
73.02895	1.1
79.05460	1.4
81.03403	0.8
81.07053	4.0
84.08102	1.0
85.02902	4.1
87.04430	0.7
95.04961	14.8
96.08125	2.7
97.02856	1.7
97.06483	1.1
97.08412	0.9
98.09692	12.9
98.97553	1.4
99.09961	0.5
100.07571	2.1
109.02834	0.7
113.06000	21.8
114.09155	4.3
115.09442	1.8
116.07072	1.0
116.98540	1.3
124.11225	33.0
125.05920	1.2
125.11440	0.8
127.03827	1.5
133.43652	0.5
134.99631	0.5
141.05453	43.9
142.12265	6.5
146.99602	0.7
147.48242	0.5
149.02640	0.5
150.07747	10.3
150.08945	1.0
155.06979	1.3
163.02730	0.5
164.10698	0.6
171.08829	1.2
177.00563	1.0
178.04845	0.8
178.55003	0.9
180.10101	0.9
181.05292	0.5
182.53419	0.5
186.04681	0.6
191.53923	1.6
192.04324	0.6
194.86877	0.4
200.04312	1.0
200.54471	1.4
202.12163	0.7
203.12511	0.9
210.11171	1.1
211.14333	0.7
219.01596	0.7
240.12300	3.2
241.15398	0.7
241.93600	0.6
246.16756	1.1
264.10617	0.7
264.15601	5.5
264.17917	1.7
265.18967	1.4
272.56607	0.7
282.16803	100.0
283.16788	3.0
283.19980	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	281.2473
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.12341	3.5
51.58452	3.7
53.03946	6.5
55.05508	61.0
57.07074	35.4
59.74469	4.5
67.05506	46.7
67.89730	3.4
69.07063	100.0
71.04973	9.0
71.08623	16.6
79.05491	13.7
81.07051	76.2
83.04984	8.7
83.08612	85.0
85.02905	7.0
85.06557	13.2
91.05476	21.8
93.07053	32.2
95.04964	4.1
95.08601	71.8
97.06520	12.4
97.10162	79.2
98.21487	11.5
99.08073	7.0
105.07026	27.4
107.08605	25.2
109.06560	4.9
109.10164	43.5
111.08082	6.1
111.11720	33.6
115.07571	4.4
119.08577	28.6
120.45963	3.2
121.10120	22.1
123.08044	4.2
123.11687	12.8
125.13261	13.4
133.10104	32.9
135.11729	20.4
137.09666	8.6
137.13243	5.5
139.11182	7.0
139.14864	4.8
143.10736	3.8
147.11682	21.7
149.13229	17.1
150.02655	5.4
151.11203	9.7
151.14870	6.5
153.12730	4.8
155.10628	5.8
161.13237	22.4
163.14822	10.7
165.12764	12.4
165.16412	7.8
167.14305	9.7
175.14836	14.5
179.14339	9.7
179.17963	6.0
189.16400	12.8
193.15880	7.6
197.13322	5.1
197.15302	4.2
203.17952	4.8
205.19565	4.9
207.17403	9.1
213.12759	6.1
219.21091	6.4
221.13298	5.8
221.22612	13.4
229.67238	6.2
235.14845	10.5
245.22641	65.0
263.17886	7.3
263.23694	62.8
281.18921	56.3
281.24921	5.6
282.19379	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	281.1859
Annotation	(+)-Sophoranol N-oxide
Peak:m/z	Relative Intensity
51.26386	0.3
52.01323	0.2
52.84524	0.3
55.01858	0.8
55.05508	1.6
56.05020	0.4
56.71053	0.3
56.96568	0.5
57.03432	0.5
57.07074	0.5
58.06586	0.5
65.03922	0.6
67.05495	3.4
68.05021	0.4
69.03407	0.9
69.07057	0.7
69.34664	0.3
69.34993	3.3
70.06590	3.2
71.04980	0.8
72.08152	6.2
78.24339	0.3
79.05491	2.9
81.03419	0.4
81.07065	1.8
82.06557	0.5
83.04974	0.8
83.08607	0.4
84.04484	0.4
84.08137	4.6
85.02888	0.9
85.06516	0.3
86.06067	2.9
86.09682	1.8
87.38860	0.3
89.10783	0.8
91.05473	9.5
93.07037	6.4
94.06545	0.9
95.04958	1.3
95.08574	1.3
96.04486	0.3
96.08136	0.9
97.06502	0.6
98.06052	3.0
98.09679	0.9
98.97583	0.6
100.07594	0.5
103.12334	0.4
105.06984	0.5
107.04952	0.5
107.08609	0.5
108.08103	1.3
109.02856	0.7
109.08911	0.6
109.10145	1.4
110.06004	0.3
110.09635	1.7
112.07613	0.6
113.34555	0.3
114.05528	4.6
114.09167	0.6
114.10284	0.5
115.08671	0.4
116.98606	0.4
117.07014	0.8
119.04933	1.1
119.08578	10.3
120.08101	0.5
121.06454	0.4
121.10144	0.5
122.09663	0.5
124.11214	1.0
126.05500	0.9
127.08642	0.3
131.08545	0.3
133.02849	0.4
134.09645	0.6
136.11176	0.5
137.05988	0.7
137.09610	1.3
138.09137	0.3
140.07039	0.8
141.10233	0.3
145.02841	0.4
146.03166	0.9
147.03336	0.7
147.04393	2.7
147.08070	0.3
147.09181	0.5
148.11186	0.5
150.09053	0.4
150.12772	2.8
152.07086	0.5
152.10696	0.5
159.07953	0.5
160.07574	0.8
161.02399	0.4
162.09076	0.5
163.03831	0.5
164.10706	1.6
166.12314	0.7
168.10158	0.5
168.13844	3.3
172.11235	0.5
177.00696	0.6
177.05431	0.4
178.05849	1.7
179.05969	2.4
180.10164	0.4
186.12794	0.3
193.04929	2.1
194.11783	0.4
202.12164	0.3
209.10869	0.7
209.12849	13.3
214.12152	0.5
218.11752	0.7
221.12909	0.6
223.14395	6.6
232.13310	1.3
235.14337	0.5
235.18066	0.7
239.13919	4.8
246.13742	0.3
250.14331	1.8
263.13495	0.4
263.17581	3.4
264.12253	0.6
264.15338	0.4
264.18167	0.5
281.18579	100.0
282.19031	2.0
286.52753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1857
Annotation	(+)-Sophoranol N-oxide
Peak:m/z	Relative Intensity
53.03942	0.4
55.01860	3.2
55.05497	2.0
56.05023	0.6
57.07060	0.5
58.06589	0.6
61.79244	0.3
67.05493	3.5
69.03406	1.2
69.07044	1.6
70.06580	3.1
70.74265	0.7
70.74628	0.9
72.08138	1.8
79.05487	2.9
81.07048	6.6
82.06567	1.2
84.04469	0.4
84.08128	2.2
85.02884	1.1
86.06057	0.9
89.10776	0.5
91.05454	0.8
93.07024	1.1
94.06547	4.1
95.04959	12.3
95.07347	0.5
95.08578	1.4
96.08125	1.1
97.06515	1.2
98.06039	0.4
98.09681	16.8
98.13119	0.3
98.97570	0.5
107.08558	0.4
110.09645	0.5
111.08066	0.7
112.07594	27.0
113.06005	1.0
120.08105	0.7
121.06729	0.4
122.09666	0.5
123.04413	1.1
123.07905	0.5
124.11216	39.1
125.11519	0.5
127.03875	0.5
131.08513	0.4
136.06184	2.3
136.11198	0.8
138.09094	0.4
140.07048	48.6
141.05470	0.9
141.07320	0.3
142.12282	1.1
145.04951	0.5
145.06491	0.4
147.04396	1.7
150.02670	0.4
150.12740	0.7
151.02791	0.5
154.08636	1.0
163.03893	0.6
173.49660	0.4
196.09770	0.6
209.12912	2.0
218.15387	0.5
236.16472	0.5
239.13934	3.0
251.17520	3.5
263.13586	0.8
263.14328	0.6
263.17517	11.6
281.18564	100.0
282.16443	2.3
282.19406	0.9
299.06271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.3
55.01882	0.6
55.05495	1.3
56.05016	0.4
56.43239	0.3
56.96530	0.6
57.03419	0.4
58.06575	1.7
63.25726	0.3
67.05486	0.8
69.03413	0.8
69.07040	0.4
70.06591	4.6
70.90137	0.6
70.90462	0.6
71.04968	0.6
72.08151	3.9
74.06059	0.4
79.05470	1.1
81.03408	1.0
81.07053	3.6
82.06578	0.9
82.52590	0.4
84.08147	3.3
85.02898	1.3
86.09693	1.6
91.05463	0.6
93.07033	0.6
94.06563	0.9
95.04917	0.9
95.08590	0.8
95.16467	0.3
96.08125	4.1
97.02855	0.5
98.06037	0.8
98.09685	32.0
98.97560	0.6
100.07573	0.5
107.04951	0.6
108.08116	0.7
109.02853	0.5
109.08852	0.6
110.09684	3.1
112.07565	1.4
113.05991	0.8
114.09173	3.6
119.04919	0.4
120.08112	1.0
121.02869	0.5
122.05979	0.4
122.09656	0.6
123.04453	0.5
124.07540	1.1
124.11218	42.2
128.07057	0.7
129.10181	0.5
132.08125	0.8
134.09630	0.5
136.07570	0.4
136.11226	0.6
140.07048	2.1
141.05447	1.6
144.06520	0.4
145.06378	0.4
147.04402	1.6
147.11211	0.4
148.07564	0.5
148.11179	1.7
150.09148	1.2
150.12762	4.2
152.10669	0.5
160.07693	0.4
162.09137	0.5
164.10701	0.5
166.08591	0.7
175.12299	0.6
178.08633	2.8
180.10205	0.6
182.11690	0.9
190.12314	0.7
193.01331	1.6
193.03108	0.4
196.09679	1.6
210.11240	6.8
218.11786	0.6
233.16443	1.4
235.07729	0.4
239.13890	34.1
245.16452	0.7
248.15971	0.4
249.18549	0.4
251.17397	0.6
263.17526	28.3
264.08652	0.8
264.15921	1.2
266.99564	0.4
281.15396	4.6
281.18564	100.0
282.16589	3.3
282.19421	0.8
299.06213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1856
Annotation	(+)-Sophoranol N-oxide
Peak:m/z	Relative Intensity
51.51910	0.4
53.03936	0.6
55.01862	0.7
55.05491	1.4
56.05025	0.5
56.96565	0.5
57.07043	0.5
60.04514	0.5
62.83001	0.5
65.03929	0.6
67.05502	2.4
68.05003	0.5
69.03410	1.1
69.07061	1.1
69.32084	0.7
69.32426	5.7
70.06590	3.6
72.08153	3.7
79.05484	4.6
81.03405	0.5
81.07030	1.9
82.06571	0.8
83.04967	0.5
84.08147	3.2
85.02875	0.6
85.06522	0.5
86.06041	1.8
86.09686	1.0
91.05457	2.6
93.07050	5.2
94.06541	1.3
95.04958	1.3
95.08587	1.3
96.08138	2.5
98.06049	1.0
98.09670	1.5
105.07009	1.0
107.04902	0.9
107.08553	0.8
108.08108	2.8
109.02859	1.0
109.08925	3.9
109.10126	1.0
110.06020	1.9
110.09679	2.6
112.07572	1.2
114.05507	2.1
114.09132	0.7
115.05480	0.5
117.06985	0.5
119.04955	0.8
119.08538	1.1
120.08109	0.6
121.02835	1.3
121.06454	1.1
121.10162	2.8
123.08051	0.7
124.11219	2.7
127.03886	0.7
133.10114	0.7
134.06865	0.4
136.11179	0.6
138.12735	0.5
140.07021	1.0
147.04436	3.2
149.02325	0.5
150.02632	1.0
150.09154	1.2
150.12782	5.9
151.02823	1.3
152.10669	0.8
164.10719	7.0
166.08600	0.6
168.13828	0.5
181.04956	0.6
207.06502	0.5
209.12857	2.8
218.11861	0.5
222.14972	0.7
223.14407	79.0
224.14864	0.7
234.14995	0.7
253.19049	0.6
263.08963	0.5
263.17575	3.1
281.08084	2.0
281.18582	100.0
282.18875	1.2
299.05978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03926	6.0
55.01858	3.8
55.05267	1.8
55.05508	32.9
57.03433	29.6
57.07051	2.9
57.76942	1.5
65.03921	4.8
65.77670	1.4
67.05499	73.2
69.03419	2.8
69.07071	16.2
70.68215	2.7
71.04971	4.2
73.06522	2.4
79.05486	100.0
81.03419	18.6
81.07050	64.7
83.04977	33.8
83.08604	12.2
85.02869	2.1
85.06561	4.0
91.05472	68.8
93.07035	66.3
95.04961	29.3
95.08047	2.6
95.08601	37.8
97.02885	2.8
97.06507	6.1
97.10130	5.4
101.06001	2.5
103.05423	2.3
105.07023	51.6
107.04944	8.8
107.08580	22.4
109.06480	8.5
109.10192	8.7
109.10815	2.3
111.08062	3.4
117.03291	1.4
117.07000	8.9
118.04053	1.8
119.07787	2.5
119.08572	33.3
121.06496	4.1
121.10105	4.5
123.08083	8.8
123.11674	2.3
127.07515	1.9
128.06206	3.0
129.06989	19.2
131.08534	3.9
133.06451	2.1
133.10112	15.9
135.11644	2.2
143.08488	6.4
145.10139	9.8
147.08022	3.5
147.11671	41.0
153.09073	1.7
159.11723	2.4
161.09573	6.2
161.13240	19.4
165.07016	1.8
171.11670	34.0
187.07336	2.0
189.09113	2.2
189.12743	13.1
202.09837	6.3
203.07043	3.2
207.13792	18.1
214.04573	1.5
218.09395	3.6
263.08865	1.7
263.12781	22.3
281.17419	69.6
281.22055	2.9
282.17697	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	281.1859
Annotation	(+)-Sophoranol N-oxide
Peak:m/z	Relative Intensity
53.03906	0.3
55.01882	0.6
55.05495	1.3
56.05016	0.4
56.43239	0.3
56.96530	0.6
57.03419	0.4
58.06575	1.7
63.25726	0.3
67.05486	0.8
69.03413	0.8
69.07040	0.4
70.06591	4.6
70.90137	0.6
70.90462	0.6
71.04968	0.6
72.08151	3.9
74.06059	0.4
79.05470	1.1
81.03408	1.0
81.07053	3.6
82.06578	0.9
82.52590	0.4
84.08147	3.3
85.02898	1.3
86.09693	1.6
91.05463	0.6
93.07033	0.6
94.06563	0.9
95.04917	0.9
95.08590	0.8
95.16467	0.3
96.08125	4.1
97.02855	0.5
98.06037	0.8
98.09685	32.0
98.97560	0.6
100.07573	0.5
107.04951	0.6
108.08116	0.7
109.02853	0.5
109.08852	0.6
110.09684	3.1
112.07565	1.4
113.05991	0.8
114.09173	3.6
119.04919	0.4
120.08112	1.0
121.02869	0.5
122.05979	0.4
122.09656	0.6
123.04453	0.5
124.07540	1.1
124.11218	42.2
128.07057	0.7
129.10181	0.5
132.08125	0.8
134.09630	0.5
136.07570	0.4
136.11226	0.6
140.07048	2.1
141.05447	1.6
144.06520	0.4
145.06378	0.4
147.04402	1.6
147.11211	0.4
148.07564	0.5
148.11179	1.7
150.09148	1.2
150.12762	4.2
152.10669	0.5
160.07693	0.4
162.09137	0.5
164.10701	0.5
166.08591	0.7
175.12299	0.6
178.08633	2.8
180.10205	0.6
182.11690	0.9
190.12314	0.7
193.01331	1.6
193.03108	0.4
196.09679	1.6
210.11240	6.8
218.11786	0.6
233.16443	1.4
235.07729	0.4
239.13890	34.1
245.16452	0.7
248.15971	0.4
249.18549	0.4
251.17397	0.6
263.17526	28.3
264.08652	0.8
264.15921	1.2
266.99564	0.4
281.15396	4.6
281.18564	100.0
282.16589	3.3
282.19421	0.8
299.06213	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.2
56.05031	1.0
56.96572	0.8
57.03429	3.3
57.07070	4.9
58.02961	0.7
58.07399	0.8
59.72830	0.7
60.04524	1.0
61.02922	2.3
62.06085	100.0
63.06407	0.5
65.03950	1.0
67.05162	1.2
67.05502	15.3
67.05872	0.9
68.04985	0.6
68.05841	0.7
69.03428	6.7
69.07052	4.3
70.63445	1.2
70.63799	1.6
79.05489	12.9
80.05025	0.7
81.03447	1.4
81.07050	14.0
82.06590	1.1
82.07362	1.0
83.04978	3.1
83.08617	2.4
85.02905	2.7
91.03965	1.1
91.05474	11.1
91.06005	0.9
93.07037	12.2
95.04994	1.2
95.08595	10.9
97.06534	1.1
97.10161	1.1
98.06049	1.0
99.04479	1.3
105.07015	4.7
107.08582	20.7
109.06529	1.0
109.10159	4.3
111.04469	1.1
117.06995	2.8
119.08566	6.7
121.02853	0.5
121.10133	9.3
122.09701	0.9
123.11736	1.1
129.05489	1.6
131.08545	6.3
131.09322	0.5
133.10126	2.8
135.08044	14.7
135.11650	6.2
137.09677	0.8
144.10292	0.7
145.10088	3.4
147.06583	1.5
149.02338	13.9
149.03471	1.0
150.02676	13.0
159.11749	2.4
168.03897	0.6
172.13339	1.1
173.13387	1.4
186.14989	0.9
191.08559	1.3
201.16405	6.5
217.37997	0.5
219.08115	1.0
219.17340	2.7
249.09068	3.1
250.25337	1.0
262.21805	2.6
263.19998	2.9
280.09946	1.3
280.13342	1.6
280.22830	30.2
280.26434	24.2
281.23254	0.8
295.87430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24322	0.8
52.33055	0.6
55.01890	1.1
55.05504	7.1
56.39754	0.7
56.96550	1.3
58.06584	2.7
60.05629	1.8
60.32516	0.8
67.05491	2.5
68.05016	1.7
68.99770	1.7
69.03404	3.0
69.07069	2.2
70.02957	1.1
70.06242	1.0
70.06593	15.3
70.12962	3.5
71.04981	2.1
72.08150	82.3
73.06541	1.3
73.08453	1.7
74.06083	1.0
74.42659	0.7
79.05490	5.4
80.05003	1.1
81.03439	0.9
81.07040	4.8
82.06576	2.6
83.04969	1.2
84.04499	1.6
84.08141	8.4
85.02894	2.0
86.09699	11.6
87.83987	0.8
88.03967	2.9
88.07641	0.9
89.10784	20.4
91.05431	4.1
92.07126	0.7
93.07018	3.8
94.06593	2.0
95.04975	4.9
95.08611	1.6
96.04473	0.8
96.08131	5.8
97.06550	1.2
98.06045	10.0
98.09686	9.8
98.97565	1.7
100.07602	1.7
102.05499	1.0
103.05444	0.9
103.12323	2.7
105.03372	2.4
105.07003	1.4
106.06390	1.1
107.04954	4.7
107.08588	1.4
108.08112	4.6
109.02820	1.0
109.08816	0.9
110.02395	1.3
110.09666	4.0
111.62442	1.0
112.07638	5.0
113.05991	3.3
113.08392	0.7
114.09165	14.3
114.10275	3.0
115.08715	4.7
116.98611	1.2
117.03303	0.9
117.07016	0.7
119.04945	3.5
119.08523	1.1
120.08101	6.1
121.02863	2.6
121.10101	2.0
122.03633	1.0
122.05963	1.2
122.09679	2.2
123.04400	2.3
124.07579	5.2
124.11216	12.4
125.06021	1.1
126.09187	1.4
127.08645	1.0
130.08635	3.4
131.08530	0.9
131.12912	2.6
133.02838	19.0
133.03790	1.3
133.10068	0.9
134.05948	0.9
134.09677	1.6
135.04402	3.5
136.11151	1.3
137.02309	1.3
137.05972	7.1
140.07036	2.1
141.05438	6.0
141.59938	2.0
145.02849	1.8
145.06505	0.8
147.04387	15.6
147.05495	1.2
148.04784	1.9
148.07558	1.6
148.11212	1.2
149.05966	2.3
150.02975	2.7
150.09140	3.9
150.12769	5.4
151.02811	1.4
151.03879	4.9
152.07053	4.8
152.10670	5.2
157.10907	1.2
161.02338	12.5
161.10760	3.4
162.05499	1.2
162.09151	4.5
162.11508	7.0
163.03889	6.1
164.10701	2.3
165.05461	7.4
166.08643	2.3
167.07040	1.2
176.07132	1.2
176.10759	1.8
177.05421	1.5
178.02611	0.9
178.05020	1.9
179.03348	2.3
180.10143	3.8
181.13377	1.6
190.12257	1.9
192.06543	1.6
193.04951	29.2
193.06706	1.5
193.13399	1.1
194.05237	1.0
202.12260	1.5
204.06564	0.9
205.13336	1.2
206.11755	1.9
207.14970	2.8
208.13344	1.0
210.11203	0.9
214.10985	1.0
217.13367	3.4
218.11726	2.1
220.13242	2.0
221.12811	1.6
232.09634	1.4
233.16441	0.9
234.11113	1.4
235.10815	1.9
235.14476	3.1
235.17975	1.0
239.13884	40.1
245.12845	2.7
245.16508	1.2
246.11256	2.3
248.15190	1.5
249.12305	1.5
251.17543	2.3
261.52631	0.9
263.14050	5.2
263.17487	6.5
264.09717	1.1
264.12283	6.7
264.15451	1.4
277.16571	1.7
281.14960	50.9
281.18582	100.0
282.16968	18.5
282.19772	1.1
293.15793	0.7
299.06107	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	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03934	0.9
54.56714	0.8
55.05507	7.6
57.07079	6.4
65.03926	2.6
67.05499	98.1
68.05825	1.6
69.07062	9.5
69.96744	1.7
69.97154	2.4
71.04993	1.3
71.08631	1.3
79.05495	10.5
81.07052	100.0
82.07374	1.5
83.08625	5.8
85.04784	0.8
85.06525	2.5
91.05458	3.3
93.07045	9.7
94.07298	0.8
95.04879	0.8
95.08600	85.6
96.08962	0.8
97.06528	1.3
97.10172	2.6
98.98686	0.9
105.07018	2.7
107.08578	7.1
109.06512	1.0
109.10149	27.1
111.08118	0.8
111.11687	1.2
117.07021	1.3
119.08552	3.3
121.02876	1.1
121.10118	5.9
121.76794	0.8
123.08043	1.0
123.11700	16.6
127.07518	1.1
131.08571	6.4
133.10103	3.2
135.08102	1.2
135.11702	4.7
137.09621	1.2
137.13245	13.5
145.10059	2.4
147.11650	1.8
149.02332	26.4
149.09633	1.5
149.13298	3.7
150.02687	1.0
151.14812	4.4
159.11671	3.0
161.13240	1.5
163.11139	1.7
163.14853	1.7
165.12703	0.8
165.16412	1.2
167.10583	1.1
167.72105	0.8
173.13264	6.8
177.12744	2.4
179.14249	0.7
179.42297	0.8
181.12198	2.6
187.14806	3.3
188.73605	0.8
191.14273	2.9
195.13783	3.3
201.16339	1.1
205.15927	1.2
209.15338	5.8
223.16940	3.5
243.21075	3.3
252.19394	0.8
261.22107	3.5
279.23169	34.1
280.23462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33709	0.3
53.35444	0.3
57.07070	1.2
63.02362	0.4
67.05512	0.4
69.07062	0.5
69.85362	0.6
69.85777	1.3
72.08159	0.9
77.30042	0.3
84.08135	0.5
86.06072	1.0
86.09698	0.3
89.03914	4.7
91.05470	0.7
93.07037	0.4
95.08614	1.6
98.33889	0.3
113.09652	0.8
117.03378	20.7
119.04908	0.4
121.02905	0.4
134.03645	0.9
135.04463	1.8
145.02841	54.2
146.03160	0.8
147.04381	0.8
149.02361	4.7
149.05977	7.0
150.02684	4.5
162.03146	0.4
163.03918	0.7
177.05463	100.0
178.05791	1.3
186.05563	1.5
234.11252	0.7
252.17886	0.4
262.16342	1.6
263.09543	1.0
280.06970	0.5
280.11993	2.2
280.17224	1.1
281.08075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.90178	0.6
53.03927	0.8
55.05511	6.2
57.07069	3.3
60.13833	0.6
65.03931	2.9
67.05499	93.2
68.05814	0.7
69.07059	9.4
69.17001	0.6
70.43323	2.3
71.04981	1.1
79.05482	8.7
81.07050	100.0
82.07372	2.1
83.04997	0.8
83.08606	5.7
85.06532	1.0
91.05470	1.8
93.07040	6.5
95.04929	0.6
95.08597	80.8
97.06498	1.2
97.10147	3.3
98.20815	0.9
99.08131	0.7
101.05965	0.7
104.26968	0.7
105.07035	2.1
107.08580	6.4
109.10148	55.1
110.10526	1.1
110.50607	0.6
111.11766	0.8
111.42127	0.6
119.08559	3.0
121.02841	0.9
121.10142	5.3
123.08050	1.1
123.11696	36.0
124.12032	1.2
126.97739	0.7
127.07555	1.0
131.08580	3.0
133.10147	1.6
135.11717	4.3
137.09612	1.4
137.13242	12.2
141.09123	0.6
145.10109	1.9
147.11667	2.1
149.02333	17.9
149.09584	1.3
149.13237	3.9
150.02615	1.1
151.11180	1.3
151.14819	3.1
159.11681	2.4
161.13232	2.0
163.11105	1.5
163.14850	1.7
165.12793	1.6
167.10678	0.8
173.13239	3.9
177.12747	1.3
177.16336	0.9
179.14333	1.3
179.21358	0.8
181.12193	1.7
187.14819	2.2
191.14331	1.4
195.13800	2.2
201.16434	0.8
205.15823	0.9
209.15454	2.9
219.21040	0.9
223.16930	3.7
237.18530	2.1
243.21056	2.6
247.78990	0.7
261.22144	4.8
279.23160	56.6
280.23517	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03933	0.5
55.01863	0.6
55.05226	0.3
55.05500	5.9
57.03435	0.6
57.07069	11.2
61.07556	0.3
65.03928	2.4
65.65251	0.3
67.05497	50.3
69.03479	0.3
69.07060	6.5
69.18296	0.3
70.67976	0.6
71.04981	0.7
71.08612	0.4
73.06580	0.3
76.48767	0.2
78.58193	0.2
79.05482	6.6
79.18577	0.2
81.07047	55.3
82.07377	0.7
83.04979	2.5
83.08614	3.8
84.13081	0.2
85.02895	0.3
85.06518	0.7
91.05465	2.3
93.03400	0.4
93.07032	7.1
95.04957	0.4
95.08595	43.9
96.08931	0.6
97.06517	1.1
97.10163	2.4
99.08066	0.6
105.07025	2.1
107.08583	5.8
109.06528	1.3
109.10145	27.9
111.04397	0.4
111.08060	1.0
111.11699	1.0
113.05978	0.4
115.46460	0.3
117.07002	1.2
119.08572	2.1
121.02865	4.1
121.03763	0.5
121.06475	0.3
121.10131	5.0
121.10997	0.3
121.12067	0.3
123.08064	1.0
123.11695	14.3
125.09632	0.7
127.07568	0.7
130.07785	0.3
131.08568	2.5
133.10112	2.0
135.08057	0.8
135.11676	3.1
137.09607	0.9
137.13242	5.6
139.11148	0.5
141.09062	0.3
143.86623	0.2
145.10089	2.2
147.11678	2.2
149.02322	100.0
149.09586	1.1
149.13295	1.9
150.02643	3.5
151.11159	0.8
151.14828	2.0
153.09102	0.3
155.10684	0.3
159.11659	1.5
161.13268	1.4
163.11182	1.2
163.14839	1.0
165.12767	0.9
165.16335	0.6
167.03403	2.7
167.10660	0.7
173.09535	0.3
173.13220	1.8
175.14854	0.5
177.12732	1.1
177.16359	0.5
179.14255	0.9
181.12225	1.1
181.15712	0.3
187.14799	2.0
190.04976	2.1
191.14337	0.9
195.13757	1.9
201.16428	0.4
205.08551	1.3
205.15891	0.8
209.15329	1.7
219.21066	1.0
223.16911	2.4
223.20558	1.1
233.18962	0.3
237.18489	0.8
243.21048	3.3
249.09065	0.4
251.20035	0.4
261.22101	3.7
267.21515	0.3
279.09137	0.7
279.19736	2.3
279.23145	33.9
280.13116	0.3
280.23486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.01868	1.5
55.05507	9.5
56.36821	0.4
56.96564	0.5
57.03429	1.8
57.07070	13.3
60.95847	1.4
64.94990	0.5
65.03938	3.5
67.05498	96.2
68.05841	1.4
69.03429	0.6
69.07063	11.6
71.04981	1.8
71.08633	0.8
71.61777	0.5
71.62177	0.6
76.90637	0.5
79.05482	13.5
79.05956	0.8
81.03441	0.5
81.07049	100.0
82.07386	1.0
83.04978	1.7
83.08613	6.2
85.02891	0.7
85.06520	1.5
86.07893	0.5
87.04488	0.6
91.05463	4.4
93.03365	0.6
93.07034	16.8
95.04963	1.9
95.08597	84.9
96.08945	1.2
97.02864	1.2
97.06512	3.0
97.10139	3.8
99.04466	0.5
99.08078	1.0
102.96835	0.5
105.07027	3.4
107.04979	0.6
107.08580	10.3
109.06511	1.6
109.10145	46.7
111.08099	1.5
111.11716	0.8
114.09133	0.6
117.07008	1.9
119.08580	4.4
121.02850	4.6
121.06508	0.7
121.10130	10.2
123.08025	1.3
123.11697	26.6
127.07556	0.7
131.08563	4.7
133.10104	4.2
134.99458	0.6
135.08110	1.5
135.11693	5.9
137.09610	1.6
137.13246	9.3
139.11154	1.4
141.09084	0.5
144.77109	0.6
145.10136	3.4
147.11633	3.5
149.02328	89.4
149.09616	1.9
149.13203	3.0
150.02650	2.6
151.11188	1.3
151.14783	3.7
153.00462	3.3
153.09164	0.7
158.03271	3.0
159.11694	3.0
161.13235	1.9
163.11151	1.7
163.14793	2.2
165.12778	1.9
167.03362	3.1
167.10762	1.3
169.54053	1.6
171.01558	1.9
171.11639	0.6
173.13242	3.7
175.14853	0.7
177.00690	0.6
177.12752	1.8
177.16393	1.0
179.14305	0.9
181.12234	2.3
185.11702	0.9
187.14790	3.4
190.04976	1.4
191.14253	1.0
195.13795	2.3
195.77411	0.6
203.46744	0.5
205.08542	1.4
205.15875	1.4
209.15388	4.2
219.21104	1.0
223.09805	0.7
223.16937	3.8
237.18414	1.4
243.21072	3.6
245.75345	0.5
246.57295	0.5
261.18546	0.6
261.19113	0.7
261.22058	5.8
278.64032	2.1
279.09363	0.7
279.13431	4.4
279.16861	2.6
279.19785	4.6
279.23148	56.6
279.63510	1.6
280.23483	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03942	1.0
53.24377	0.3
55.01872	0.7
55.04232	0.3
55.05505	9.5
55.20847	0.3
55.53641	0.4
57.03428	1.2
57.07070	13.7
58.07418	0.4
65.03933	2.5
67.05498	98.1
68.05843	0.9
69.03436	0.4
69.07059	10.9
69.09159	0.3
71.04989	1.4
71.08619	0.8
73.06509	0.4
79.05485	12.4
80.05826	0.3
81.03403	0.5
81.07049	100.0
82.07399	1.0
83.04970	1.4
83.08608	6.1
85.06551	1.3
91.05463	4.8
91.35069	0.4
93.03354	0.6
93.07039	13.7
95.04961	1.7
95.08598	81.7
96.08923	0.8
97.06519	1.9
97.10161	3.5
98.21503	0.6
99.08102	0.9
105.07031	3.9
107.04977	0.6
107.08582	10.5
109.06521	1.4
109.10146	48.4
110.10473	0.5
111.08084	0.8
111.11715	1.4
113.06013	0.8
115.43954	0.3
117.07006	1.5
119.08573	4.5
121.02860	3.1
121.03649	0.3
121.03941	0.3
121.06516	0.6
121.10134	8.8
123.08062	1.5
123.11694	25.2
125.09670	0.6
127.07597	0.4
131.08560	4.2
133.10124	3.2
135.08049	1.0
135.11674	5.8
137.09631	1.2
137.13248	9.7
141.09152	0.4
145.10097	2.8
145.41714	0.3
147.11664	3.1
149.02328	79.5
149.09596	2.0
149.13223	3.8
150.02644	2.4
151.11255	1.6
151.14798	2.7
152.19283	0.4
153.09114	0.6
157.10147	0.4
159.11662	2.4
161.13214	2.7
163.11153	1.5
163.14796	2.0
165.12727	1.7
165.16399	0.9
167.03413	3.2
167.10693	1.2
173.13261	3.4
175.14777	0.8
177.12769	1.6
177.16357	0.9
179.14320	0.9
181.12186	2.0
183.13712	0.5
187.14790	2.8
190.04953	1.2
191.14323	1.5
195.13774	2.6
201.16351	1.2
205.08609	1.1
205.15878	1.3
209.15321	3.7
219.05771	0.5
219.17461	0.5
219.21068	1.3
223.16911	3.7
237.18492	1.2
243.21072	4.4
249.09062	0.6
261.18521	0.5
261.19101	0.5
261.22116	5.5
279.09296	1.1
279.19818	3.0
279.23157	51.7
280.13269	0.6
280.23480	1.8
280.26370	0.8
286.74814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	Leu Phe
Peak:m/z	Relative Intensity
56.05020	0.3
56.96555	0.6
58.06585	0.4
58.88206	0.2
61.02912	0.3
69.03413	0.8
70.06581	0.7
70.96962	0.3
70.97278	0.4
72.08129	0.8
81.03375	0.4
82.06546	0.9
84.04468	0.3
84.08127	1.2
85.02913	1.5
86.06057	0.7
94.06553	1.1
96.08123	2.8
97.02879	0.7
98.06052	1.2
98.09680	2.4
98.97567	1.0
100.07624	0.5
108.08104	0.3
110.09666	1.1
112.07584	0.6
114.09168	2.9
115.09545	0.3
116.98592	0.6
119.01907	0.5
120.08060	0.2
122.06032	2.8
122.09660	0.6
124.07574	0.3
124.11192	0.3
126.09177	0.4
127.03901	0.5
128.07045	0.5
131.00185	0.3
132.04456	0.5
134.05991	0.3
134.09637	1.5
138.22733	0.2
143.47334	0.3
148.07565	0.4
148.11200	3.9
149.01323	0.3
149.02330	1.6
150.09142	2.1
150.12712	0.3
151.09911	0.5
152.10648	0.8
157.04439	0.3
158.09700	0.3
159.03195	0.2
159.04936	0.3
161.05566	0.4
162.09079	0.6
163.09891	0.6
164.10710	1.1
165.00539	0.3
170.05203	1.1
176.10612	0.3
177.04314	0.5
177.11526	0.5
178.12291	0.7
182.11769	0.5
186.09105	0.3
199.07253	0.3
200.10651	0.3
202.00926	0.3
203.11777	0.2
212.10748	0.3
218.11751	0.3
221.05026	0.4
229.13321	0.9
231.14912	4.4
233.16588	0.5
243.14925	3.3
258.77194	0.3
261.08148	0.4
261.15976	7.1
277.15430	0.3
279.17014	100.0
280.10049	0.3
280.17270	2.8
295.07037	0.2
297.08640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65657	0.3
57.07066	1.0
62.32462	0.3
69.20879	0.3
70.76144	0.9
86.09698	3.3
89.03910	3.4
93.07034	0.4
103.12337	2.8
112.23354	0.3
116.93560	0.3
117.03378	15.1
118.03716	0.4
129.10246	1.0
134.03644	0.9
135.04417	1.0
145.02838	55.3
146.03191	1.0
149.02338	6.4
149.04802	0.4
149.05963	6.4
177.05460	100.0
178.05786	2.2
186.05511	0.8
200.31699	0.3
215.65266	0.3
262.14401	1.4
279.17023	25.9
280.17386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	(2R,9R)-Dihydroxyaphyllidine
Peak:m/z	Relative Intensity
53.53742	0.4
55.05508	1.2
56.96547	0.5
57.03419	0.6
57.06818	0.6
57.07072	9.3
65.03903	0.8
67.05486	2.1
68.70880	0.5
69.03419	1.2
69.07052	1.8
69.75642	1.3
69.76054	1.5
71.04982	1.3
72.08126	0.6
79.05496	1.2
79.75964	0.4
81.03394	0.8
81.07043	3.2
83.04950	0.5
83.08606	0.6
84.08117	0.5
85.02899	0.9
85.06532	1.0
91.05480	0.9
93.07043	2.7
95.04926	0.7
95.08606	2.7
97.02891	1.1
97.06528	0.6
98.97584	0.9
99.14291	0.4
105.07026	1.4
107.08589	1.4
109.02866	1.4
109.10177	2.2
111.04446	0.7
111.11713	0.7
111.58488	0.4
115.05477	0.5
116.98616	1.0
119.08570	1.6
121.02918	2.3
121.10135	1.1
122.09666	1.0
123.11749	0.7
124.07604	0.7
124.41472	0.4
133.10114	1.1
134.06013	0.7
134.09686	0.6
135.11729	0.5
136.11194	1.0
142.32776	0.4
145.02882	0.7
145.08946	0.7
147.04404	0.6
147.11629	0.4
149.02328	65.0
150.02663	1.0
150.08997	0.5
153.01770	0.8
158.09636	0.5
160.11226	6.6
163.11086	0.6
167.03406	1.5
173.08339	0.8
174.12828	0.5
175.14809	0.5
177.05449	1.1
181.04893	0.9
186.09081	2.3
187.14697	0.5
188.10690	70.7
189.11024	1.4
190.12276	1.3
191.03513	0.6
200.10782	0.5
201.16446	0.4
202.12277	2.9
205.08557	1.1
205.58327	0.5
206.08836	0.5
219.14920	9.0
220.13342	3.1
221.07906	0.7
237.02776	0.4
247.14398	18.9
248.14705	0.6
249.15924	1.4
251.10789	0.5
251.17566	2.4
261.15814	0.5
276.22113	0.5
279.17014	100.0
280.17316	3.0
297.18097	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	279.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.4
55.05505	0.9
56.05033	2.6
56.96290	0.6
56.96561	9.5
57.07075	7.1
58.53911	0.4
69.03392	0.5
69.07058	1.0
69.95928	3.0
70.06568	1.7
71.95235	0.5
72.08157	4.6
74.06084	2.4
74.97592	1.4
81.07059	0.9
84.08128	0.6
85.04014	0.9
86.02414	1.0
86.09206	0.7
86.09699	10.4
89.03892	3.0
89.05988	0.5
91.05460	1.2
93.03396	0.5
93.07039	0.5
95.04946	0.4
97.02872	0.6
98.06043	0.7
98.97570	0.5
103.05449	0.6
103.12337	6.1
107.04920	0.9
108.93011	0.4
109.10147	0.6
111.09093	0.4
112.07555	0.6
113.10754	0.6
117.03371	19.4
119.04922	0.6
121.02859	2.0
121.06474	0.6
124.07548	0.6
127.03860	0.9
127.08672	0.6
129.10237	0.8
134.03625	1.0
135.04398	1.2
137.06042	0.8
141.10219	1.3
145.02832	60.8
146.03168	1.1
147.04393	1.6
149.02335	45.5
149.05975	6.8
150.02661	0.9
150.99101	1.7
152.07040	1.2
152.10684	0.8
163.03914	1.9
167.03392	1.5
169.00226	1.3
169.01711	0.6
169.13382	1.3
177.02293	4.3
177.05458	100.0
178.05780	1.9
186.05463	1.2
187.02780	0.9
187.10880	0.7
195.03282	5.6
206.11728	0.7
215.13863	3.1
218.04950	0.6
233.12997	2.9
239.02206	2.3
257.03229	0.5
261.12360	0.6
262.10706	0.7
262.14471	0.5
279.13495	9.0
279.17020	32.5
280.17188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	(2R,9R)-Dihydroxyaphyllidine
Peak:m/z	Relative Intensity
55.01881	1.4
55.05499	2.4
56.05026	1.5
56.96572	0.8
57.07071	14.2
65.03918	1.2
65.27885	0.7
67.05492	2.5
68.05037	0.7
69.03444	1.1
69.07047	1.6
70.06599	0.9
70.60777	2.3
71.04984	1.3
72.08116	1.1
75.36050	0.8
79.05500	1.7
81.07067	3.6
84.08137	13.5
85.02912	1.3
86.09698	25.0
91.05458	3.0
93.07018	1.2
95.04984	0.9
95.08598	4.4
96.08119	1.7
97.06536	1.1
98.06035	0.7
98.97577	1.0
103.05478	1.0
105.07011	2.9
107.08565	2.7
109.06485	0.7
109.10159	2.1
110.06000	1.2
112.07631	1.2
114.09171	0.7
117.68903	0.7
119.04965	0.7
119.08572	1.3
120.08096	27.0
121.02833	4.3
122.05990	3.5
122.09634	2.7
123.04427	0.6
124.07570	1.6
127.65620	0.7
132.08026	1.0
133.10085	0.8
134.06006	2.0
135.11653	1.6
136.07558	0.8
143.08514	0.9
145.10069	0.9
146.05969	1.6
147.04373	0.8
148.06372	0.9
148.07568	1.9
149.02328	95.2
150.02644	2.6
150.09122	23.1
159.11670	0.9
160.07561	2.4
160.11162	1.1
162.09120	5.6
163.03903	0.7
164.10719	2.0
166.08640	2.9
167.03412	3.2
168.10237	0.7
174.09200	1.2
174.12788	2.3
177.05557	0.8
178.08595	5.3
180.10184	1.2
185.56303	0.7
188.10695	7.7
196.09669	2.7
201.16382	1.0
202.12263	8.8
204.13858	2.4
205.08621	1.3
207.11273	2.9
208.09669	3.2
216.13800	2.9
219.11343	1.2
219.14877	1.9
223.09581	0.9
233.16483	11.9
236.08163	0.8
237.12296	10.5
237.16025	1.7
247.07597	0.8
255.13391	2.7
261.15967	35.7
261.18787	1.8
264.07819	0.7
279.10220	2.0
279.17007	100.0
280.17273	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	279.137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.5
55.63589	0.7
55.63867	0.7
56.05030	42.1
57.03425	1.7
57.07069	14.0
61.43379	0.7
65.03934	0.8
67.05506	4.9
68.05032	0.8
69.03412	1.8
69.07066	10.0
70.42693	1.9
71.04978	1.5
72.08132	0.8
73.02887	1.7
73.04037	3.9
73.22537	0.7
74.06072	56.8
79.05478	1.8
81.03435	0.8
81.07050	3.9
82.02912	0.7
83.05003	0.7
83.08590	0.8
84.04485	6.4
84.08171	1.6
85.01105	1.4
85.02901	7.4
85.04018	15.0
85.08939	0.7
86.09211	0.8
86.09702	14.1
88.38561	0.6
91.05475	1.3
93.07034	2.0
95.08623	4.2
96.04464	1.4
96.08121	9.4
97.02873	2.7
98.09653	2.0
100.01054	0.7
101.07139	1.7
102.03748	1.3
102.05534	2.4
105.07002	0.9
107.08593	2.0
109.06516	0.8
109.10166	4.6
111.04432	2.0
112.03993	0.9
113.06010	1.0
113.10760	17.6
114.09170	1.0
115.03891	1.7
120.04786	1.9
121.02855	3.6
121.04098	0.7
121.10142	1.9
122.09648	1.8
123.11703	1.3
124.07568	4.0
124.11205	4.3
129.05489	1.6
130.03210	1.5
132.10188	1.1
133.10089	0.8
135.11671	0.9
139.12311	1.1
140.03435	1.7
141.10211	36.0
142.08630	0.9
144.10176	1.9
147.06470	1.3
148.04245	1.5
149.02328	100.0
150.09155	1.3
152.10686	9.5
167.03389	3.3
168.10222	2.3
169.09764	1.8
169.13345	36.5
170.11809	1.2
185.12889	0.8
187.10764	13.7
190.05025	1.1
196.09645	2.6
197.12834	2.4
198.09393	1.6
198.11150	1.3
203.79999	0.9
205.08582	2.3
215.13893	90.1
216.14204	0.7
233.13173	29.7
244.09882	1.5
261.12680	6.1
262.11072	3.5
277.02829	0.8
279.13715	33.2
279.16718	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	279.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03098	0.9
55.01856	1.7
55.05503	5.2
57.03434	22.0
57.07071	10.9
59.01670	0.9
60.16397	1.0
61.02937	4.8
63.96661	0.9
64.70750	1.0
65.03913	1.7
66.25221	1.0
67.05489	4.7
69.03429	23.6
69.07048	1.1
69.40842	10.6
71.01352	6.4
71.04990	17.9
73.02909	28.6
75.04475	12.6
79.05486	2.4
81.03409	3.6
81.07040	2.8
83.04974	18.6
85.02898	100.0
86.06052	1.3
87.04445	3.8
93.07037	1.5
95.04939	4.4
95.08590	1.8
97.02263	2.2
97.02885	27.0
97.06528	1.5
98.21437	1.8
99.04430	3.0
101.06032	1.9
103.03883	1.4
105.07037	2.0
107.08618	1.5
109.02832	2.2
109.06532	1.4
109.10149	1.5
111.04442	12.1
113.02402	4.9
113.05995	6.1
115.03912	24.0
116.60064	0.9
121.02859	3.4
123.04425	2.0
127.03931	1.4
129.05467	26.2
133.04970	3.9
133.06468	1.1
135.04404	2.2
139.03870	3.5
147.06512	17.3
149.02332	80.7
157.04927	5.6
165.07590	2.5
167.03401	1.7
171.06546	4.7
175.06018	1.2
183.06538	1.8
187.06004	1.9
213.07555	2.0
225.07541	21.4
237.17577	1.2
243.08618	6.7
261.09659	3.2
279.10852	13.1
279.18951	1.7
279.22031	1.2
298.07797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.59821	1.0
53.03931	2.2
55.01839	0.9
55.05508	14.3
57.03441	7.7
57.07065	2.5
65.03917	1.6
67.05500	32.0
68.90462	1.0
69.03426	1.1
69.06723	1.1
69.07061	13.9
70.37731	1.8
70.38081	4.3
71.04987	15.2
73.06523	1.1
75.83955	1.1
79.05487	43.0
81.07050	40.9
83.04961	1.8
83.08607	8.4
85.06517	3.0
85.21110	1.0
91.05472	24.4
93.07037	70.2
94.07296	1.2
95.04986	5.3
95.08598	35.5
97.06499	2.9
97.10156	3.1
99.08077	2.4
105.07020	16.2
107.04945	1.5
107.08588	39.7
107.81664	1.0
109.06519	5.6
109.10152	11.7
111.08038	2.8
113.09657	1.9
114.10265	1.1
117.07018	4.9
119.08566	13.3
121.10135	44.4
123.08038	3.6
123.11693	3.1
125.09643	2.2
129.07021	1.4
131.08565	10.6
133.10114	11.4
135.08052	2.1
135.11676	33.4
137.09598	2.8
139.11211	1.3
141.09081	1.3
143.08556	2.2
145.10136	7.9
147.04393	3.0
147.11667	9.3
149.02333	2.3
149.09613	2.9
149.13246	23.6
151.11140	2.9
157.10097	3.2
159.11720	4.7
159.12831	1.1
161.09610	1.0
161.13249	5.0
163.14793	6.4
165.12724	2.8
171.11688	4.0
173.13272	8.7
175.11171	1.3
175.14775	2.5
177.16426	1.4
181.12213	1.4
185.13205	2.5
187.14828	5.7
189.12747	1.7
189.16342	1.9
191.14305	3.5
193.12242	1.4
195.13759	1.5
203.14209	1.3
205.15817	4.7
207.13731	2.0
207.17259	1.0
209.15395	1.2
213.16386	2.3
217.19580	1.1
221.15437	2.3
235.16873	3.4
241.19504	6.7
252.92424	0.9
257.10983	1.0
259.20541	12.6
277.17834	5.2
277.21600	100.0
278.22073	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	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	4.6
53.04195	1.3
55.01868	2.6
55.05503	15.8
57.03405	1.6
57.07071	47.4
58.69777	1.3
62.13604	1.4
65.03898	1.9
67.05160	2.6
67.05493	31.9
69.07066	14.8
69.83979	3.3
69.84392	6.9
69.92343	1.4
71.04977	3.0
71.08598	1.7
72.08156	2.4
77.03936	2.2
79.05482	62.6
81.03395	2.8
81.07050	36.6
83.04961	3.0
83.08614	7.7
86.03355	1.4
91.04893	1.6
91.05466	28.1
93.07032	89.4
95.04948	8.4
95.08592	29.2
97.06503	2.3
97.10168	3.0
98.21506	1.5
99.08038	1.9
103.05539	1.6
105.04487	1.7
105.07020	19.2
107.08578	50.7
109.06515	3.5
109.10136	13.7
109.51577	1.4
111.08139	2.1
114.10259	4.5
117.07002	2.2
119.04932	3.5
119.08553	14.1
121.06491	1.7
121.10126	43.8
123.04449	2.9
123.11681	3.7
125.09653	1.8
130.95868	1.4
131.08562	5.5
133.10107	11.6
135.08116	2.4
135.11679	44.2
137.09537	1.6
143.08514	2.1
145.10168	3.1
147.04387	17.9
147.11670	9.7
149.02321	2.0
149.09616	2.6
149.13245	18.5
153.09259	1.9
157.10063	4.5
159.11624	5.4
161.13245	4.4
163.07458	2.8
163.11150	3.7
163.14816	4.7
171.11694	1.8
173.13255	2.1
175.11104	2.7
175.14822	2.4
177.12776	2.7
179.10649	25.3
185.13304	2.6
189.12691	2.7
195.13824	1.8
199.14775	2.0
207.13721	2.2
213.16463	1.9
217.15811	3.8
218.11749	2.7
219.13791	2.8
221.15324	3.9
235.16908	88.0
241.19472	2.3
255.48073	1.6
259.20432	4.4
277.17929	100.0
277.21558	96.0
277.27966	7.1
278.18240	2.5
278.22073	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	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.53780	0.7
53.03926	2.6
55.01853	0.8
55.05505	17.0
57.03434	8.7
57.07063	2.6
59.04988	1.1
65.03910	1.3
67.05499	30.5
69.03426	0.8
69.07064	13.3
70.14002	2.5
70.14408	1.4
71.04975	2.4
72.07562	0.7
77.03905	1.1
79.05486	60.0
81.01913	0.7
81.07050	38.9
83.04967	2.7
83.08608	9.8
85.06532	2.9
91.04889	0.9
91.05470	24.4
93.07036	87.1
95.04951	7.7
95.08597	34.9
95.96929	0.7
97.06509	3.5
97.10165	5.0
99.08089	1.9
101.06042	0.7
103.05398	0.8
105.04496	0.8
105.07016	16.6
107.04935	1.5
107.08585	49.7
109.06503	3.8
109.10148	11.1
111.08064	1.2
117.07007	3.7
119.08570	14.8
121.06493	1.3
121.10130	46.7
123.08044	3.2
123.11701	3.0
125.09641	1.5
127.07478	1.1
129.06963	2.1
131.08563	6.9
133.10117	11.5
135.08057	1.6
135.11676	43.9
137.09584	2.7
139.11150	1.0
143.08542	3.1
145.10136	6.6
147.04385	1.3
147.11676	9.4
149.09576	2.0
149.13245	23.3
151.11113	2.3
157.10120	1.8
159.11676	6.2
161.09659	1.0
161.13255	5.4
163.11226	1.3
163.14824	4.9
165.12726	1.3
167.10666	0.9
171.11584	3.8
173.13216	3.1
175.11198	0.8
175.14809	2.1
177.12798	1.5
177.16371	0.9
181.12181	1.8
185.13239	3.9
187.14822	6.0
189.12764	1.2
195.13724	1.9
199.14784	2.6
203.14372	0.8
205.15883	4.4
207.13884	1.6
209.15350	1.1
213.16341	1.9
214.87227	0.8
217.19444	0.9
221.15349	3.8
221.19043	1.3
231.17348	1.4
235.16922	4.5
241.19505	3.8
259.20532	6.6
277.21594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.54576	0.9
53.03926	3.6
55.05504	16.3
57.03405	1.0
57.07062	3.0
65.03913	2.0
67.05499	32.1
69.06716	1.3
69.07060	16.1
69.63192	4.2
69.63598	2.9
71.04983	1.9
77.03891	1.6
79.05485	75.3
81.07050	34.2
82.75970	0.8
83.08612	8.4
85.06530	2.6
91.04886	1.3
91.05468	25.7
93.07033	100.0
95.04961	7.9
95.08595	25.7
97.06519	2.2
97.10151	3.9
105.04509	1.5
105.07014	14.7
107.08584	51.5
109.06508	2.9
109.10132	9.7
111.08070	1.1
117.06999	3.3
119.08553	12.5
120.17515	1.0
121.10129	48.9
123.08092	1.7
123.11678	4.1
129.07024	1.7
131.08539	5.2
133.10110	11.4
135.11676	53.6
137.09566	1.4
143.08536	2.3
145.10098	3.8
147.11685	6.9
149.09566	1.1
149.13246	22.4
153.09065	1.1
157.10094	1.5
159.11699	3.7
161.09613	1.6
161.13235	3.8
163.11139	1.7
163.14774	5.8
171.11707	2.8
173.13222	2.4
175.14641	1.7
177.12683	1.0
181.12173	1.8
185.13300	3.1
193.12286	1.3
195.13783	2.2
199.14799	2.5
207.13763	1.7
209.15462	1.4
213.16342	2.1
217.15907	1.1
221.15376	3.7
235.16910	4.0
241.19464	3.1
259.20560	6.4
277.21600	87.1
278.21942	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	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03925	3.6
55.01872	1.9
55.05507	15.0
57.03434	1.3
57.07072	5.7
60.19051	0.9
65.03927	1.3
67.05500	37.2
69.07061	17.1
69.82592	5.8
71.04967	2.4
78.80643	0.9
79.05486	69.9
81.07048	40.8
83.04978	1.8
83.08607	8.8
85.06525	2.9
91.05472	27.9
93.07036	100.0
95.04964	11.0
95.08600	29.0
97.06512	1.9
97.10143	4.5
101.06032	0.9
105.04542	1.6
105.07012	14.5
107.08582	50.6
109.06495	3.9
109.10152	14.9
111.08064	2.0
117.06992	3.0
119.08559	11.4
121.06468	1.3
121.10130	46.1
123.04414	3.1
123.11698	3.2
125.09632	1.6
129.07054	1.4
129.29895	1.0
131.08609	4.9
133.10139	14.1
135.11682	61.6
142.90750	1.0
143.08514	2.7
145.10092	4.8
147.04353	3.1
147.11678	8.2
149.02347	1.3
149.09567	1.3
149.13239	23.6
151.11119	2.5
157.10077	2.6
159.11694	4.3
161.13213	5.3
163.11128	2.8
163.14755	6.3
165.07066	1.0
171.11626	2.0
173.13225	3.4
175.11118	1.6
175.14825	2.2
177.12721	1.7
179.10632	1.2
181.12131	1.2
185.13258	3.6
189.12677	1.3
193.12329	1.1
194.82388	1.0
195.13777	3.1
199.14745	1.7
207.13770	1.7
209.15334	1.3
213.16273	2.2
217.15811	1.6
221.15338	3.6
231.17464	1.2
235.16939	6.5
241.19539	3.1
245.08131	1.8
259.20581	5.3
277.18427	3.9
277.21594	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02367	1.5
53.03935	3.5
55.05506	17.5
57.07064	3.0
58.18973	1.0
67.05501	30.8
69.07066	14.8
69.99422	6.9
71.04988	2.3
71.35947	1.1
79.05486	72.7
81.07049	35.5
83.04976	1.9
83.08623	7.6
91.05476	28.4
93.07037	93.0
95.04987	8.2
95.08597	24.8
97.06499	2.0
97.10167	4.0
98.20811	1.4
105.04430	1.6
105.07020	11.3
107.08588	47.7
109.06490	1.6
109.10138	13.5
111.08063	1.6
117.06981	3.0
119.08561	8.7
121.10136	39.1
123.11679	2.7
129.06912	1.3
131.08554	4.0
133.10123	11.1
135.07976	1.1
135.11684	53.1
143.08574	2.4
145.10091	2.6
147.11636	7.7
149.09616	2.7
149.13242	24.8
157.10136	2.0
159.11670	2.3
161.13203	3.1
163.11267	1.4
163.14854	5.6
167.10637	1.2
171.11656	1.6
173.13210	3.1
175.14734	2.0
185.13330	1.8
199.14775	1.9
203.14240	1.3
207.85583	1.2
213.16394	3.1
221.15353	2.7
235.16931	4.6
241.19508	2.7
259.20557	3.8
277.21603	100.0
278.21970	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
50.69133	1.8
53.03934	4.5
55.01860	2.9
55.05510	19.5
55.82034	1.6
57.03424	1.9
57.07069	4.7
59.05003	1.5
65.03942	1.7
67.05499	39.9
69.03420	2.1
69.07066	13.3
71.04984	2.9
71.08624	16.8
71.09470	2.0
71.09792	2.3
74.83279	1.5
79.05486	54.3
81.03415	2.4
81.06578	2.8
81.07052	49.1
83.04960	4.0
83.08606	10.1
91.05466	28.5
93.07037	92.0
95.04975	11.1
95.08601	39.4
97.06509	6.7
97.10136	3.8
99.08090	12.9
105.07023	15.3
107.04964	5.0
107.08589	57.0
109.06477	4.1
109.10156	15.0
111.08076	2.1
116.49923	1.8
117.07025	3.8
119.08572	13.8
121.10143	40.7
123.08045	3.3
123.11724	4.3
125.09605	1.8
129.07010	2.5
131.08557	4.4
133.10118	10.5
135.11682	47.6
137.09596	2.4
144.70659	1.6
145.10126	4.0
147.11676	7.0
149.02379	3.2
149.09561	2.3
149.13257	15.8
151.11156	6.3
157.10138	1.7
159.11649	3.8
161.13263	5.9
163.11220	3.5
163.14804	6.5
167.10594	2.5
171.11652	2.6
173.13261	2.8
179.14304	27.3
185.13217	4.2
195.13867	2.4
213.16444	2.8
217.15901	2.2
221.15309	5.1
235.16954	7.9
241.19441	2.5
256.16055	1.8
259.20511	5.6
277.18414	4.8
277.21594	100.0
298.04929	1.6
299.75970	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	277.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05291	1.2
55.05508	12.6
56.18018	1.3
57.03436	6.4
57.07060	4.0
65.03919	2.4
67.05169	2.0
67.05498	28.9
69.03438	1.3
69.06767	1.1
69.07065	13.1
71.04983	11.1
71.64091	1.9
73.06523	1.9
79.05487	42.8
79.36987	1.0
81.07048	33.5
83.04953	2.3
83.08601	7.4
85.06529	3.5
91.05480	23.6
93.07040	63.7
95.04959	4.6
95.08596	29.6
97.06530	2.6
97.10153	2.9
99.08070	1.5
105.07024	18.5
106.07349	1.3
107.04926	1.4
107.08591	35.2
109.06496	5.1
109.10159	9.5
111.08046	2.4
117.07011	4.6
119.08566	15.3
121.06493	1.5
121.10132	36.3
123.08053	4.0
123.11694	5.1
125.09595	1.4
128.45145	1.2
131.08574	9.1
133.10121	15.5
135.08061	2.1
135.11682	30.1
137.09619	2.7
143.08549	1.9
145.10112	5.2
147.04332	1.4
147.08009	2.3
147.11702	10.9
149.02350	6.9
149.09569	2.8
149.13249	17.4
151.11183	3.2
157.10138	2.6
159.11684	5.0
161.13246	6.5
163.11145	3.7
163.14827	5.7
165.12714	2.7
167.10713	1.3
171.11674	5.1
173.13295	8.8
175.07556	1.7
175.11133	1.7
175.14740	1.4
177.12791	1.9
179.10677	2.3
185.13235	2.7
187.14792	5.1
189.12788	1.3
189.16299	1.6
191.14255	4.3
193.08499	2.2
193.12286	3.5
195.13864	2.3
199.14908	1.6
203.06889	1.2
205.15906	3.2
207.13771	2.1
213.16249	1.9
217.12296	1.4
217.19499	4.8
221.15387	3.2
231.21027	2.0
235.13242	3.8
235.16887	5.1
241.19516	5.2
259.20569	11.1
268.00815	1.2
269.31418	1.2
277.18213	4.4
277.21603	100.0
278.21866	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	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	5.6
54.49615	1.4
55.01849	2.5
55.05257	1.6
55.05510	20.2
55.27084	1.6
57.03427	3.4
57.07063	5.9
59.04989	1.6
60.05656	1.6
67.05161	2.7
67.05499	32.7
69.07070	14.8
71.04988	1.9
71.62018	2.8
72.08129	4.1
73.88969	1.5
74.67355	1.3
77.42175	1.3
78.01713	1.5
79.05488	74.3
81.07051	37.3
83.04968	3.4
83.08611	7.1
85.06525	2.4
91.04958	2.5
91.05475	28.5
93.07038	100.0
93.21111	1.3
94.07361	1.9
95.04968	9.8
95.08600	30.6
97.06531	2.2
97.10149	4.6
104.92780	1.4
105.06380	1.8
105.07026	16.5
107.08587	54.9
109.06520	4.1
109.10143	11.9
111.04411	1.7
111.08076	2.0
114.10234	2.3
117.06994	3.9
119.04922	3.3
119.08575	9.8
121.06503	1.6
121.10134	47.8
123.08034	1.5
123.11682	4.8
129.06964	2.3
131.08559	5.7
133.10112	13.0
135.08000	1.5
135.11684	47.6
137.05960	4.7
143.08571	3.7
145.10088	4.8
147.04398	16.8
147.11697	9.7
149.02309	3.3
149.13248	20.1
157.10185	3.0
159.11705	6.3
161.09756	2.0
161.13280	4.5
163.11261	2.6
163.14789	5.3
167.10710	1.8
171.11734	2.5
173.13226	3.4
175.11223	2.1
175.14807	2.4
183.98619	1.4
185.13333	3.1
189.12453	1.3
195.13736	2.4
199.14856	3.1
213.16370	2.0
218.11810	1.8
221.15382	4.0
227.37372	1.6
235.16901	6.5
241.19475	2.8
259.20523	5.9
277.16742	6.8
277.21594	86.9
278.21768	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	277.1545
Annotation	Cyclo-(Leu-Tyr)
Peak:m/z	Relative Intensity
55.12621	0.2
56.96283	0.3
56.96556	3.3
58.06597	1.6
61.02931	0.2
67.05494	0.2
69.03412	0.6
70.06583	4.1
72.08149	3.0
79.05464	0.3
80.05002	0.6
81.03426	0.2
81.07037	0.3
82.06567	1.0
83.04961	0.3
84.08120	0.8
84.53462	0.2
84.96016	0.5
85.02871	0.6
91.05454	0.5
94.06549	1.4
96.04481	0.3
96.08120	5.0
97.02876	0.4
98.06036	0.3
98.09667	0.6
98.97572	5.8
99.04510	0.2
100.07584	0.5
101.00881	0.4
102.68648	0.2
106.06556	0.2
108.08118	1.1
109.02821	0.2
109.08890	0.5
110.06021	0.6
110.09643	0.3
110.97562	1.3
111.78030	0.2
112.07599	1.1
112.99100	0.3
114.09155	13.9
116.07090	0.4
116.98605	3.6
119.01905	2.1
119.04892	0.3
120.08123	0.3
122.06022	2.2
124.11327	0.2
128.98601	2.1
130.08623	0.9
131.00137	0.4
131.01881	0.4
131.07294	0.2
132.04410	0.8
132.08092	0.7
133.01712	0.6
133.03430	0.3
133.05141	0.2
134.06010	0.7
134.09651	0.4
134.99634	1.2
137.02940	0.6
138.05533	0.3
138.09145	0.3
142.26501	0.2
143.00117	0.4
143.01840	0.3
145.03432	0.2
146.06026	1.3
146.09622	0.7
146.99664	1.4
147.04396	1.4
147.06760	0.3
148.03850	0.2
148.07530	0.9
149.01161	0.5
150.09123	0.3
151.02798	0.3
151.08638	0.5
157.03453	0.8
158.05972	0.4
158.99620	1.3
160.07597	1.6
161.01176	0.4
161.02956	1.5
162.05458	0.5
162.09113	0.3
162.99214	0.3
164.07043	0.9
164.10699	1.1
165.00714	0.6
167.54417	0.3
170.99651	0.5
172.07538	0.4
174.09122	0.8
175.02802	0.4
175.04517	0.5
175.08720	0.3
176.08284	0.3
177.00670	2.6
178.08513	0.2
183.06764	0.3
184.07643	0.4
185.02986	0.6
185.08388	0.2
186.09193	0.4
187.08647	0.4
188.06996	1.2
188.10696	0.6
189.00708	0.5
191.03867	0.2
193.03769	0.2
193.09778	0.2
195.01750	0.2
196.07510	0.2
198.09157	1.2
199.02728	0.2
200.10704	0.3
202.08612	1.2
203.03885	0.4
204.10188	0.2
205.03778	0.3
207.01547	0.2
210.09158	0.7
214.08652	0.3
216.10185	2.1
217.03746	0.2
217.05707	0.3
219.01701	2.0
228.10309	0.2
229.03796	0.2
229.13342	0.7
234.11249	0.7
237.02798	5.0
241.13370	1.4
242.11771	0.3
255.03842	0.6
259.14398	7.7
260.14984	0.3
277.15439	100.0
278.15744	1.7
282.14038	0.2
295.07025	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	277.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08577	0.3
51.10231	0.2
55.05502	0.6
56.96558	0.6
58.06583	0.7
67.05510	0.3
68.05010	0.7
69.03413	0.3
70.06591	2.4
70.28593	0.6
70.28993	0.4
72.08150	4.0
73.08469	0.3
79.05474	0.6
79.70955	0.2
80.05015	0.4
81.03398	0.3
81.05778	0.3
82.06572	1.8
84.08115	1.3
85.02900	0.5
86.06049	0.3
86.09671	0.3
89.10773	0.4
91.05466	0.4
94.06552	1.4
96.08121	7.9
97.02866	0.3
98.06037	0.3
98.09661	0.7
98.97579	0.7
100.07632	0.6
108.08092	0.6
109.08891	0.3
110.06031	0.7
110.09668	0.5
112.07584	1.2
114.09158	21.1
116.98552	0.3
119.01929	0.5
119.04955	0.7
120.08063	0.5
122.06019	1.7
124.11240	0.2
127.09893	0.3
130.08617	0.9
132.04439	0.5
132.08061	0.8
134.06001	0.8
138.05446	0.3
146.06029	0.4
147.04390	3.7
148.07552	0.8
149.02324	0.3
150.09166	0.7
158.05930	0.3
160.07516	1.4
162.05444	0.9
162.09149	0.4
163.03865	0.3
164.07054	2.5
164.10670	0.7
174.09129	0.3
175.04523	0.5
176.07014	0.7
178.08612	0.4
180.10233	0.3
184.07587	0.3
186.09145	0.6
188.07027	0.6
188.10699	0.7
190.08582	0.3
193.09616	0.3
198.09163	0.5
202.08502	0.3
210.09059	0.4
213.12193	0.2
216.10117	0.9
218.11719	0.7
229.13310	0.6
231.11212	0.5
234.11221	0.3
235.16986	0.3
241.13283	0.8
247.14398	0.6
257.12827	0.3
259.14417	9.2
277.15439	100.0
278.15674	1.3
295.08627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06575	4.2
65.55830	3.3
70.52549	12.7
70.52898	4.5
96.08078	8.5
98.88306	3.5
99.62282	3.7
101.00827	4.7
114.09171	18.4
119.01902	17.4
131.01862	6.7
137.02988	3.7
139.22481	3.3
143.01842	4.9
157.03493	7.5
161.02937	12.2
168.15414	3.8
175.04503	7.2
185.02916	6.6
187.04527	4.1
198.41411	3.6
259.14313	5.4
277.03186	82.7
277.06915	80.4
277.15442	100.0
295.08759	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	277.1068
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
54.38318	0.6
55.59886	0.8
69.07068	0.9
69.58303	6.0
70.61223	0.6
72.08147	1.4
74.71962	0.7
79.05491	2.1
81.07053	1.0
84.19387	0.6
90.79624	0.7
91.05472	2.2
93.07034	0.9
97.06512	2.4
98.97548	1.3
105.07008	3.0
114.10287	1.3
117.07043	0.7
119.04903	2.0
121.02831	1.7
123.04426	0.7
131.04883	3.1
135.90306	0.7
137.02315	10.9
143.08565	1.7
147.04398	17.5
147.11667	1.0
149.02327	3.0
150.96909	0.8
152.06200	0.7
152.32542	0.7
157.09999	0.7
161.02327	1.0
163.03906	3.2
167.03352	0.7
171.08023	2.9
175.03893	11.0
191.02237	1.0
193.04944	41.0
194.05249	0.8
195.08029	1.1
198.06697	1.2
199.07553	0.8
213.05414	1.3
213.09048	2.7
215.06953	2.5
218.11856	1.6
223.07561	1.6
226.06247	3.9
241.08568	100.0
242.08818	2.6
259.09637	61.1
260.09937	2.0
260.13153	0.6
277.10812	1.1
277.16226	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	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.3
56.96564	2.8
58.06583	1.2
60.83332	0.2
61.02919	0.3
68.05022	0.3
69.03403	0.5
69.07053	0.2
70.06586	4.0
70.32720	0.6
70.33115	0.4
71.04976	0.4
72.08148	2.7
73.02884	0.4
80.04987	0.6
81.03408	0.4
81.07052	0.4
82.06567	0.5
84.04461	0.2
84.08115	0.7
84.96030	0.5
84.99416	0.2
85.02876	0.5
86.09669	0.3
94.06546	0.7
96.04467	0.6
96.07545	0.4
96.08122	6.3
97.02874	0.4
98.06011	0.3
98.09645	0.3
98.20852	0.4
98.97580	4.3
100.07619	0.6
101.00864	1.0
102.97060	0.3
108.08089	1.0
109.02853	0.3
109.08905	0.4
110.06006	0.5
110.09645	0.3
110.97568	0.8
112.07583	0.8
112.99110	0.5
114.09158	19.1
116.98611	2.7
117.22044	0.2
119.01920	4.7
120.08112	0.4
122.06023	0.7
128.98605	1.6
130.08629	1.1
130.12221	0.5
131.00174	0.7
131.01878	1.3
132.04440	0.4
132.08078	0.3
133.01721	0.3
133.03423	0.3
133.08934	0.2
134.05991	0.4
134.99643	0.9
137.02940	1.0
140.07019	0.2
143.01868	1.3
145.03419	1.0
146.06010	0.9
146.09604	0.7
146.99629	1.2
147.04390	0.5
148.07497	0.7
149.01180	0.4
149.02966	0.4
150.09059	0.5
151.02783	0.3
151.08711	0.3
154.08640	0.4
155.01869	0.8
157.03436	0.9
158.99623	1.2
160.07573	1.6
161.01418	0.4
161.02942	6.8
162.99153	0.3
163.04465	0.3
164.07103	1.2
164.10745	1.1
165.00681	0.6
167.01926	0.2
169.31380	0.3
170.99641	0.6
172.07555	0.5
173.02995	1.6
174.09068	0.6
175.02963	0.4
175.04507	1.6
177.00716	1.4
179.02219	0.3
180.10248	0.3
184.07617	0.4
185.02901	1.8
186.09065	0.3
187.04459	0.6
188.07079	0.7
188.10658	0.3
189.00671	0.6
189.05952	0.4
189.55713	0.2
191.03943	0.6
198.09137	1.3
202.08655	0.5
203.03983	1.3
204.10225	0.3
205.05594	0.6
206.08157	0.3
214.08582	0.3
216.10199	1.0
217.05545	0.3
219.01782	1.0
220.09599	0.3
221.04970	0.4
224.59323	0.3
229.13318	0.7
234.11151	0.5
237.02779	3.6
241.13371	1.1
245.05051	0.7
245.14914	0.3
255.03992	0.3
259.07111	0.3
259.14383	5.2
277.03128	1.0
277.07724	7.6
277.15442	100.0
295.06863	1.7
295.08804	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	277.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28723	0.5
56.96335	0.9
56.96559	9.7
57.07063	0.9
63.31884	0.7
68.54099	0.6
71.60207	1.1
72.62689	0.6
93.18986	0.6
98.97575	51.6
100.97176	1.1
101.00869	1.8
112.58517	0.7
116.98611	63.1
119.01907	18.2
120.02016	3.2
121.01679	5.7
131.01843	1.0
134.99649	56.0
137.00084	1.5
137.02930	9.7
138.03017	1.3
139.02643	2.3
140.00166	2.1
142.02594	0.9
142.03519	8.8
143.03580	1.4
144.03209	2.7
153.00702	12.0
157.03424	1.1
158.01244	3.1
160.04565	3.5
161.02985	3.8
161.04257	0.7
162.04248	0.8
163.03847	2.7
165.05032	0.8
175.04478	1.9
177.00952	8.0
178.00974	2.8
178.99339	0.8
179.00653	5.3
185.02788	1.0
187.04492	0.9
200.10864	0.7
203.00586	0.6
210.95596	0.8
217.03944	0.9
219.01974	13.0
220.02121	3.4
221.01817	3.9
230.93365	1.0
230.98514	0.8
234.99692	1.6
235.16837	1.9
236.99510	1.6
240.98570	4.4
241.99194	2.1
242.49217	1.9
245.05246	0.8
248.94313	0.9
250.49445	1.4
250.99239	29.2
251.49274	11.9
251.99171	5.9
256.96622	9.5
257.96667	4.4
258.96411	11.1
258.99689	40.6
259.96381	1.1
259.99771	1.6
260.96490	1.0
261.00232	1.4
261.03036	10.5
262.03137	6.0
262.50046	9.4
262.99997	4.7
263.02847	13.8
263.49973	1.0
264.02911	1.1
272.94305	1.6
274.00800	1.0
274.50708	0.7
274.97723	5.5
275.97720	2.9
276.97458	9.1
277.00739	100.0
277.07242	4.4
277.17831	3.1
277.97748	1.1
278.01010	3.5
279.00870	2.3
279.98138	0.8
281.97968	1.6
282.01254	3.2
283.99982	1.3
284.99670	2.8
290.95261	2.0
294.98401	3.2
295.01633	1.0
295.08865	4.3
295.95624	1.0
299.99170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02386	0.6
53.03951	0.9
55.01846	1.4
55.05262	0.6
55.05507	9.4
56.96556	0.7
57.03425	2.2
57.07074	1.0
59.04995	0.8
66.89559	0.5
67.05161	0.8
67.05499	9.6
68.05840	0.5
69.03419	0.7
69.07063	6.4
70.94014	0.6
70.94337	1.3
71.04975	1.5
72.08150	0.6
79.05486	10.3
79.39458	0.6
81.07049	12.3
83.04967	1.1
83.08622	4.4
85.06529	2.0
91.05470	25.2
93.07037	9.9
94.69468	0.5
95.04969	1.8
95.08600	7.7
97.10175	1.5
103.05450	1.1
105.07020	42.6
107.04942	2.0
107.08581	9.7
109.06518	1.7
109.10161	3.0
111.08067	1.2
115.05521	0.7
117.06987	6.2
119.08567	26.7
121.10149	4.0
123.08036	1.0
123.11657	0.7
125.09630	1.2
129.06984	2.9
130.07747	0.7
131.08556	10.0
132.09314	0.7
133.10115	23.3
135.08008	1.3
135.11664	2.3
141.07014	1.1
141.08148	0.6
142.07787	0.6
143.08549	3.1
145.10110	11.6
145.56506	0.5
146.10664	0.6
147.08035	1.1
147.11676	24.9
149.09575	3.3
149.13274	1.0
153.12669	0.6
154.02101	0.6
155.02196	0.6
155.08545	0.8
157.10063	3.0
159.08061	0.7
159.11682	10.4
161.09663	0.8
161.13264	5.8
163.11162	1.9
165.02556	0.8
169.10104	1.7
171.11671	2.5
173.13257	4.4
175.11153	0.9
175.14719	0.8
177.12727	0.9
183.11691	2.0
185.13260	3.9
187.11128	0.6
187.14798	0.9
197.13245	1.9
201.12776	0.8
201.16389	0.8
203.14270	3.6
211.14746	1.0
215.14436	1.0
219.13734	1.1
219.17366	1.0
229.19478	1.2
233.15483	0.9
239.17909	3.4
247.78223	0.6
257.18991	9.7
275.20041	100.0
276.20322	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.89170	0.7
53.03944	1.5
53.54053	0.7
55.01859	3.2
55.05267	0.9
55.05506	11.9
57.03411	0.9
57.07073	0.8
58.41825	0.7
65.03922	1.4
67.05499	17.2
69.07053	8.6
69.86259	4.9
71.04976	1.4
79.05486	21.3
81.03386	1.0
81.07050	23.6
83.04980	2.1
83.08610	4.2
85.67804	0.7
87.37650	0.7
91.05474	33.2
93.07037	19.9
95.04966	3.6
95.08598	13.2
95.09167	1.4
97.06512	4.3
97.10157	2.5
103.05460	0.9
105.07021	42.6
107.04932	2.2
107.08592	14.2
109.06509	4.9
109.10156	5.4
111.08082	1.5
115.05425	0.9
117.07008	9.9
119.08568	29.5
121.06493	2.9
121.10127	9.8
123.08060	2.3
123.11693	1.4
125.09616	1.2
129.06976	2.3
131.08551	10.2
133.06520	1.0
133.10118	31.6
135.08046	3.4
135.11702	3.6
137.09599	3.4
141.06967	1.5
143.08527	2.0
145.10094	11.4
145.18089	0.7
147.08052	1.5
147.11673	17.3
147.81943	0.7
149.09613	6.3
149.13234	1.2
151.11183	2.5
155.08549	1.9
157.10144	2.0
159.11676	8.9
160.93459	0.7
161.09612	1.2
161.13220	5.1
163.11154	5.8
163.14793	1.2
165.12752	2.0
169.10147	2.1
171.11688	2.7
173.09599	1.2
173.13268	4.2
175.11221	1.5
175.14836	1.5
177.12769	1.7
183.11630	2.3
185.13176	0.9
187.11121	1.2
187.14821	1.1
189.12616	1.0
191.14293	1.6
197.13252	3.2
213.16382	1.0
229.19537	3.9
233.15283	1.2
237.02699	0.7
239.17928	6.1
247.20616	2.3
257.18970	11.1
275.20041	100.0
276.20407	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.6
55.01854	1.6
55.05508	10.7
55.87941	0.9
57.03424	2.3
57.07055	1.5
62.74762	0.9
67.05502	12.7
69.03400	2.3
69.07063	7.5
70.06580	1.2
71.04984	2.0
71.08611	1.2
71.62657	1.5
73.09241	0.9
79.05488	14.4
81.03366	1.4
81.07055	16.9
83.04967	3.2
83.08601	3.6
85.06532	1.8
89.07928	0.9
91.05474	30.0
93.07034	15.1
95.04943	3.6
95.08601	12.8
97.06507	2.0
97.10131	1.2
103.05473	1.4
103.67652	0.8
104.89214	0.8
105.07019	47.2
107.04926	3.8
107.08577	9.8
109.06493	3.0
109.10140	6.3
111.08046	1.1
115.05472	1.1
117.06995	9.0
119.08572	29.9
121.06510	2.0
121.10117	6.0
123.08011	1.4
123.11711	1.0
125.09631	1.7
129.06992	2.8
130.04535	0.9
131.08556	11.2
133.06473	1.0
133.10124	29.2
135.08052	2.4
135.11653	2.9
142.07770	1.1
143.08546	2.7
145.06435	1.1
145.10130	13.0
147.11679	22.4
149.09552	5.9
149.13275	1.2
151.07455	1.0
153.01915	0.9
155.02235	1.4
155.08578	1.7
157.10091	3.2
159.11661	9.6
161.09583	1.9
161.13260	5.1
163.11143	3.4
167.10735	1.0
169.10153	1.0
171.11668	2.7
173.13239	3.4
175.11142	1.8
177.12733	1.1
183.11642	2.6
185.13274	1.8
191.14244	1.1
197.13240	2.2
199.18550	1.0
203.14349	1.9
215.14287	1.9
219.13840	1.2
229.19371	1.8
233.15189	1.0
239.17940	2.8
247.20677	1.5
257.16357	1.3
257.18967	8.0
275.08408	2.0
275.20041	100.0
275.27600	6.5
276.20432	4.6
276.25427	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	0.7
55.01848	1.3
55.05252	0.7
55.05503	8.4
57.03431	5.0
57.07058	1.3
58.07421	0.4
65.03918	0.7
67.05164	0.7
67.05499	10.4
69.07066	7.7
70.06575	1.4
71.04980	0.8
71.14421	0.4
71.14799	1.0
73.06557	0.5
79.05049	0.8
79.05486	10.0
81.07050	10.2
83.04951	1.2
83.08611	5.5
85.06519	1.6
87.49517	0.4
88.07645	1.9
89.07939	0.5
91.05473	27.2
93.07037	10.7
95.04965	1.4
95.08037	0.7
95.08598	8.4
97.06523	2.2
97.10150	1.1
103.05432	0.9
103.09504	0.5
105.07024	40.2
106.08688	0.9
107.04923	0.7
107.08568	7.2
109.05862	0.4
109.06487	2.5
109.10131	2.4
113.05980	0.5
115.05360	0.4
117.07010	9.1
119.08571	29.9
120.23062	0.4
121.06482	1.5
121.10119	3.4
123.08089	0.8
125.09660	0.8
127.07586	0.5
129.06999	2.5
130.07770	0.5
131.08559	9.4
133.10117	20.0
135.08005	1.4
135.11662	2.2
141.07005	0.9
143.08549	3.2
145.10112	11.3
145.11270	0.6
146.10756	0.4
147.10492	1.1
147.11674	22.1
149.09613	2.8
155.08545	1.0
157.10124	3.5
159.11681	11.5
161.09663	0.7
161.13251	7.6
163.11150	1.7
169.10083	1.2
171.11693	2.1
173.13240	4.5
175.11174	0.8
175.14777	1.2
177.12759	0.6
183.11685	2.4
185.13249	7.3
187.11186	0.6
191.14169	0.6
197.13205	1.2
201.12730	0.7
201.16443	1.1
203.14285	4.9
211.14821	0.7
213.16272	0.4
215.14322	0.7
215.17978	0.6
219.13753	0.7
219.17467	1.4
229.19455	1.0
239.17918	4.0
247.20528	0.7
257.18964	8.6
257.26651	1.3
258.19360	0.5
275.20044	100.0
275.27728	19.1
276.20361	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03928	1.5
55.01867	4.8
55.05504	23.5
57.03420	1.6
57.07061	0.7
59.04985	1.2
65.03921	1.3
67.05495	28.3
68.05818	0.7
69.03426	0.8
69.06729	0.5
69.07062	7.5
69.80187	3.4
71.04996	2.9
79.05484	42.2
81.03403	0.7
81.07051	19.9
83.04955	2.2
83.08614	6.0
85.06521	1.2
91.05470	33.0
93.07031	24.4
94.78818	0.5
95.04966	4.9
95.08592	11.2
97.06493	1.6
97.10149	3.3
98.21581	0.6
103.05435	1.2
105.04546	0.8
105.07018	42.6
106.07334	1.0
107.04942	28.6
107.08578	30.0
109.06490	2.0
109.09448	1.0
109.10140	13.6
111.08060	1.7
115.05409	1.1
116.06212	1.1
117.07004	11.5
117.07813	0.6
119.08566	29.3
121.06488	2.5
121.09297	0.9
121.10121	10.7
123.08015	1.4
123.11678	3.8
125.09606	5.7
129.06982	3.6
131.08560	12.1
133.06534	0.6
133.10114	26.6
135.08029	5.7
135.11705	3.3
137.05975	1.1
137.09592	1.3
138.06235	0.7
141.06975	1.2
143.08572	1.7
145.10110	12.2
147.08002	1.1
147.10486	0.9
147.11667	18.4
149.09599	51.6
149.13152	1.3
151.11211	0.6
153.09074	2.3
155.08580	1.0
155.10661	0.6
157.10060	2.0
159.11676	7.7
161.09590	1.2
161.13235	6.2
163.11134	1.9
167.10609	1.0
169.10081	2.3
169.12193	3.0
171.10257	0.7
171.11597	2.5
173.11713	4.2
173.13246	4.8
175.11118	0.9
175.14818	1.2
177.12772	0.7
179.10701	1.2
183.11661	2.5
185.13283	1.0
187.11200	1.4
187.13269	1.9
187.14832	1.8
191.10678	0.7
193.12158	0.8
197.13231	1.6
201.12733	0.9
205.12247	1.0
205.14052	0.6
211.14638	0.7
213.16359	1.0
215.14302	1.1
215.17946	2.3
219.13879	0.8
229.15825	0.8
229.19460	8.6
229.21474	0.8
233.15347	1.5
239.17929	3.5
239.61212	0.5
247.20534	2.0
257.18970	17.7
258.19244	1.0
275.20029	100.0
276.20285	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.13618	0.9
53.03930	1.1
55.01865	1.2
55.05508	11.6
57.03417	3.6
57.07062	2.4
62.82978	0.9
67.05502	17.1
69.03413	1.3
69.07066	10.0
70.22650	3.4
71.04981	3.3
76.57932	0.8
79.05490	15.4
81.03429	0.9
81.07053	26.5
83.04982	2.9
83.08612	5.0
85.06522	2.7
88.07591	1.4
91.05473	30.5
93.07036	19.0
95.04963	3.4
95.08602	13.1
97.06519	3.3
97.10171	2.5
98.20762	1.2
103.05468	1.4
105.07025	41.4
106.07367	1.0
107.04942	3.3
107.08578	13.0
109.06522	7.3
109.10152	7.2
111.08085	2.8
115.05482	2.0
117.07019	8.7
119.08577	31.9
121.06464	2.3
121.10134	9.1
123.08041	4.7
123.11714	1.5
125.09649	0.9
128.06221	1.0
129.06998	3.7
129.42024	0.8
130.07846	1.1
131.08568	14.2
133.06427	1.1
133.10123	30.0
135.08043	7.6
135.11725	4.6
137.09599	1.8
142.07762	1.6
143.08557	4.4
145.10103	12.6
147.08046	1.6
147.11676	17.5
148.11911	1.1
149.09604	6.5
149.13263	1.2
151.11174	2.0
155.08537	1.6
157.10110	4.9
159.11699	13.0
161.09633	2.2
161.13226	4.8
163.11140	3.9
163.14745	1.0
168.09296	1.0
169.10039	1.3
171.11667	2.6
173.13246	13.4
175.11154	3.2
175.14894	1.8
177.12706	2.8
183.11690	3.1
185.13219	3.1
187.11253	1.5
187.14781	1.8
189.12634	1.2
191.14285	2.7
197.13211	3.6
199.14864	2.9
199.43056	0.8
201.12695	1.9
201.16296	1.2
202.42293	0.8
203.14323	2.1
209.98140	1.2
211.14777	0.9
215.14308	1.0
215.18054	1.4
217.15942	1.2
219.13757	1.5
224.95804	0.9
229.19586	1.6
239.18008	6.2
247.20595	1.9
257.18970	11.4
275.20044	100.0
275.27740	11.2
276.20377	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.34898	0.6
52.69977	0.6
53.03925	1.1
54.38386	0.7
55.05504	8.4
57.03153	0.7
57.03433	5.2
60.73401	0.9
67.05500	10.3
68.92953	0.7
69.07065	6.0
71.04988	1.0
71.17518	1.5
79.05483	9.6
81.07047	8.0
83.04974	1.8
83.08603	3.8
85.06520	1.5
85.58085	0.7
88.46629	0.8
91.05477	27.8
93.07038	9.9
94.61885	0.8
95.04943	2.0
95.08602	9.7
97.06541	1.4
105.07024	34.3
107.04962	0.9
107.08604	6.1
107.76762	0.8
108.77682	0.7
109.06498	3.1
109.10146	2.1
111.08114	1.0
115.15551	0.7
117.07022	6.9
119.08571	29.2
121.10155	3.4
123.08046	1.0
129.07043	3.6
131.08559	9.9
133.10129	18.3
135.08064	1.5
135.11678	1.7
139.75487	0.7
141.06924	1.0
143.08528	2.6
145.10106	9.7
147.11682	20.9
149.09610	2.8
155.08492	1.1
157.10107	3.1
159.11664	13.2
161.09616	0.7
161.13264	9.2
163.11174	1.3
169.10086	2.0
171.11702	2.1
173.13242	3.8
177.12756	0.9
183.11656	2.0
185.13280	7.3
187.11169	1.2
197.13196	1.4
201.12627	0.9
201.16379	1.4
203.14326	5.6
211.14830	0.9
215.18123	0.9
219.17455	1.8
229.19571	1.4
239.17914	3.6
245.55347	0.8
257.19006	9.2
275.20047	100.0
276.20309	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	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02362	0.4
53.03915	0.8
55.01859	1.3
55.05255	0.6
55.05506	7.3
56.96536	0.4
57.03430	6.8
57.07059	1.1
62.01601	0.4
65.03917	0.9
67.05494	10.6
69.03417	0.4
69.06715	0.5
69.07060	7.0
70.15347	1.9
71.04978	1.5
79.05486	11.8
81.03405	0.5
81.07048	13.5
82.07414	0.5
83.04971	1.4
83.08614	3.6
85.06535	2.2
89.25548	0.4
91.05472	26.3
93.06464	0.7
93.07036	13.4
95.04953	1.6
95.08598	10.0
96.52794	0.4
97.06515	1.5
97.10164	1.5
99.08068	1.6
103.05451	1.2
104.06274	0.4
105.07019	37.8
107.04923	2.1
107.08586	7.6
109.06506	2.7
109.10146	3.8
111.08044	1.2
113.05958	0.9
115.05447	0.8
116.06216	0.4
117.07016	8.4
119.08571	26.1
120.08889	0.8
121.06483	2.1
121.10126	6.0
123.08032	1.8
123.11687	1.1
125.09594	0.7
127.07574	0.7
128.06192	1.0
129.06999	4.1
131.08563	10.8
131.58214	0.3
133.10120	20.6
135.08049	2.5
135.11694	2.8
137.09593	1.2
141.06970	1.3
142.07748	0.6
143.08539	3.9
145.10114	11.2
147.08015	1.0
147.11673	20.7
149.09610	6.3
149.13234	1.3
151.11139	0.9
155.08516	1.6
157.10141	4.5
159.08096	0.4
159.10420	0.7
159.11682	10.2
161.09567	1.8
161.13243	5.2
163.11198	3.3
163.14816	0.5
169.10106	2.2
171.11655	1.9
173.09677	0.4
173.13257	4.5
175.11163	0.9
175.14764	1.5
177.12775	0.9
183.11707	2.6
185.13252	10.5
187.11137	1.1
187.14780	0.9
189.12782	0.8
191.14354	1.3
193.12140	0.7
197.13260	2.1
199.14792	1.1
201.12714	0.8
201.16393	1.2
203.14291	6.9
211.14832	0.6
213.16434	0.6
215.14340	1.1
215.17952	0.7
219.13934	0.5
219.17422	4.5
229.19504	1.2
239.17937	5.2
247.20569	0.6
257.15073	0.5
257.16025	0.6
257.18973	12.1
258.19333	0.5
275.20032	100.0
276.11230	0.5
276.20395	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.5
55.01859	2.2
55.05506	10.3
56.96543	1.2
57.03413	1.0
57.07063	1.1
59.05006	0.7
65.03924	1.5
67.05503	11.3
67.05854	0.5
69.03396	0.9
69.07064	6.4
70.06581	1.3
70.78682	1.9
71.04977	0.9
71.06944	0.5
78.99290	0.6
79.05051	0.8
79.05492	11.8
81.07053	15.5
81.68861	0.5
83.04976	2.0
83.08604	3.2
85.06544	1.0
88.07623	1.8
91.05472	28.6
93.07040	13.3
95.04980	3.8
95.08600	9.8
97.06516	2.0
97.10143	2.0
101.05953	0.7
103.05421	1.1
105.07024	44.2
107.04939	2.3
107.08587	8.6
109.06513	1.9
109.10143	3.9
111.08073	0.8
111.99950	1.1
117.06997	6.6
119.08573	24.3
121.00452	4.8
121.06488	2.5
121.10156	4.8
123.08065	1.6
125.09609	0.8
129.06970	1.8
130.00954	0.9
131.02400	0.5
131.08559	9.8
132.51282	1.1
133.06512	0.9
133.10126	28.6
135.08015	2.3
135.11668	2.8
137.09624	1.3
141.06889	1.0
143.01779	2.7
143.08534	2.1
145.10107	13.6
146.10938	0.8
147.08015	0.9
147.11673	18.2
149.09583	4.8
149.13217	0.7
151.11092	0.6
155.08574	0.8
157.10097	2.3
159.11661	7.4
161.09674	0.8
161.13229	2.5
163.11205	2.5
167.53123	0.6
167.99695	1.6
169.10094	1.4
171.11700	2.0
172.00987	1.6
173.13261	2.6
175.11148	1.3
175.14850	0.8
177.00221	4.2
177.12750	0.9
181.12270	0.7
183.11674	1.9
185.13277	1.4
189.12746	1.4
197.13277	2.0
199.01494	1.1
201.12724	1.2
207.13838	0.6
211.14682	0.8
215.14352	0.9
217.02483	3.5
217.52748	0.8
219.13762	0.9
228.53377	1.0
229.19482	1.6
233.15395	0.8
239.17932	3.3
239.22005	0.7
247.20663	0.9
252.04639	2.6
257.18982	11.0
261.05139	5.0
261.55417	0.6
263.55496	1.1
275.20041	100.0
275.27740	9.7
276.20398	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03931	1.1
55.01848	2.5
55.05510	12.0
57.03428	0.8
57.07071	1.9
65.03929	1.0
67.05499	22.2
69.07065	10.0
69.80991	4.7
71.04976	2.8
73.06548	1.1
79.05486	21.7
81.07056	18.3
81.71099	0.6
83.04967	2.6
83.08607	4.4
85.06523	1.6
87.17849	0.6
91.05476	44.5
93.07042	19.7
95.04953	3.1
95.08038	1.2
95.08604	13.6
97.06505	1.9
97.10171	1.9
98.20710	1.3
100.34442	0.6
103.05453	1.9
105.07028	53.8
106.07335	0.9
107.04936	3.8
107.08586	11.3
109.06505	1.8
109.10160	7.8
111.08083	1.1
111.93494	0.7
115.05424	0.9
117.07008	13.3
119.08578	39.9
121.06477	2.3
121.10134	9.7
123.08063	2.5
123.11668	1.8
128.06326	0.8
129.07025	3.3
130.07733	0.7
131.08569	17.8
132.79549	0.6
133.06383	0.8
133.10127	38.2
135.08038	3.4
135.11656	2.5
137.09578	2.5
141.06975	1.5
143.08543	1.7
145.10123	11.6
147.08020	0.9
147.11676	25.9
149.09616	8.1
149.13237	0.8
151.11156	0.8
155.08565	2.1
157.10130	2.6
159.11656	8.5
161.09601	0.8
161.13243	7.9
163.11174	1.4
169.10129	1.8
171.11679	2.5
173.09784	0.8
173.13261	9.7
175.11214	1.7
175.14774	2.0
183.11717	2.8
185.13254	1.5
187.11093	0.9
187.14828	2.8
197.13240	3.0
201.16391	0.9
215.14392	0.8
217.79698	0.7
219.13657	0.8
229.19557	2.4
233.15373	1.3
239.17833	3.5
247.20595	4.0
257.18945	4.2
275.20047	100.0
275.27802	3.1
276.20340	3.2
293.21146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1388
Annotation	Terezine A
Peak:m/z	Relative Intensity
55.05495	0.6
55.60081	0.5
65.03903	0.6
66.60762	0.4
66.92500	0.4
67.05215	0.5
67.05505	5.7
69.97834	1.1
69.98240	2.9
70.06583	1.2
72.08154	2.8
76.99520	0.5
77.70696	0.5
79.05466	0.8
80.05005	2.8
81.07037	0.5
82.06581	3.8
84.08115	0.7
86.09710	0.9
87.34140	0.5
93.05791	1.0
94.06563	35.7
95.07344	0.6
96.04449	2.1
96.08115	2.1
98.06013	0.6
99.46644	0.5
106.06568	0.6
108.07413	1.0
108.08110	15.0
109.08897	0.6
110.06033	1.4
112.07594	15.2
112.86652	0.5
118.06503	0.6
122.06023	1.1
130.06512	0.7
131.07329	1.2
132.04491	0.6
132.08118	0.7
134.06007	2.8
136.07594	0.7
138.05461	1.4
146.06013	1.5
147.04405	2.1
148.07559	1.1
158.05960	0.9
160.07555	2.4
162.05501	4.6
164.07085	9.5
176.07018	2.1
176.63869	0.5
178.08635	1.4
186.05669	0.8
200.10782	0.6
216.10185	0.6
228.10260	1.0
239.11714	3.1
255.11281	11.1
256.11557	0.6
257.12845	33.0
258.13297	1.0
275.13885	100.0
276.14099	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	275.1385
Annotation	Terezine A
Peak:m/z	Relative Intensity
55.05492	0.2
56.05031	0.1
58.06596	0.1
67.05505	0.6
67.44923	0.1
68.05000	0.1
69.07046	0.2
70.06582	0.2
72.04491	0.1
72.08139	0.3
79.05494	0.2
80.05006	0.2
81.07044	0.6
82.06561	0.2
84.08123	0.8
85.06555	0.1
86.09673	0.1
91.05465	0.5
93.07034	1.2
94.06536	0.2
95.04926	0.1
95.08039	0.2
95.08599	2.1
96.04469	0.2
98.09698	0.1
105.07047	0.5
106.02900	0.2
107.04948	0.2
107.06077	0.1
107.08559	0.3
108.04439	0.3
108.08095	0.2
110.06031	0.2
112.03963	0.3
119.04965	0.1
119.08588	0.6
120.04476	0.1
120.08091	0.2
122.05992	0.1
122.09668	0.7
123.10393	0.2
124.03946	2.7
125.04831	0.1
126.05497	0.2
130.06570	0.1
132.04398	0.2
134.06018	0.2
134.09627	0.2
136.03822	0.1
136.11208	0.4
137.04695	0.1
138.05502	0.8
144.08005	0.2
145.10150	0.1
146.05963	0.3
147.04359	0.3
148.03931	0.5
148.07523	0.1
149.04691	0.2
150.05496	0.4
152.07069	0.1
153.06578	1.1
158.06003	0.3
160.07549	0.3
160.11201	1.1
161.04735	0.3
162.05463	0.7
163.04996	0.3
164.05795	0.2
164.07062	0.3
165.01726	0.1
165.06596	0.3
166.07445	0.2
167.08191	0.2
170.05949	0.2
172.07584	0.7
172.11212	0.2
173.08336	0.2
174.05499	0.4
175.06250	0.3
176.07051	0.3
178.08580	0.3
181.06070	0.3
186.09082	0.6
188.07129	1.0
188.10684	9.2
189.11092	0.2
190.08627	0.6
191.08133	0.2
192.25252	0.1
197.08423	0.1
198.09149	0.4
200.10652	1.0
201.07755	0.1
202.08598	0.5
202.12286	0.4
204.10170	0.6
205.09666	0.2
212.10641	0.3
214.08560	0.5
216.10178	4.2
217.11053	0.7
218.11739	2.0
219.14847	0.7
228.10184	0.3
229.13406	0.5
230.11736	1.9
232.09656	0.3
245.12842	2.0
245.15236	0.1
247.14369	1.8
257.12787	0.3
275.13867	100.0
276.14252	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	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.08370	4.3
55.05499	13.2
67.05484	20.0
68.03318	4.0
69.07059	29.6
69.57881	10.5
69.58279	34.5
70.58672	4.4
79.05493	14.6
80.38478	4.5
81.07057	52.3
83.08620	11.0
91.05482	13.7
91.19872	4.1
93.07046	30.5
95.08608	78.6
97.10196	7.7
105.07029	22.6
107.08584	47.7
109.10162	55.5
119.04951	12.5
119.08567	17.7
119.86295	4.3
121.10161	43.3
123.11703	36.5
133.10127	13.0
135.11697	27.8
137.13280	12.5
147.04382	33.9
147.11697	16.7
149.13245	35.7
151.14809	7.2
153.01807	71.3
161.13246	16.7
163.14821	22.1
171.02876	15.0
175.14844	6.5
177.16339	13.0
189.16373	20.0
191.17935	12.6
203.17952	10.6
217.19485	19.8
273.07590	100.0
273.25714	80.3
274.07886	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	273.1595
Annotation	Nematophin
Peak:m/z	Relative Intensity
53.28719	0.2
53.81947	0.2
55.05507	0.3
67.01856	0.5
67.05479	0.3
68.99773	0.5
69.03421	0.7
69.07071	0.5
69.42904	1.0
69.43330	1.4
71.04983	0.3
72.08145	0.3
74.50484	0.2
79.05464	0.6
81.03416	0.3
81.07038	0.8
83.04937	0.6
84.08130	0.7
85.02923	0.3
91.05463	0.9
93.07016	0.7
95.04932	0.3
95.08598	0.3
97.02889	0.3
98.20770	0.5
105.07021	0.4
107.04945	0.6
110.06028	0.6
111.04438	0.3
119.04956	2.3
121.02779	0.3
121.06425	0.3
122.09664	4.8
123.04423	0.7
130.06490	0.3
137.09560	0.3
145.10123	0.3
146.05992	0.6
147.03244	0.3
147.04398	5.2
148.07489	0.3
153.01814	11.5
153.07071	0.3
154.02144	0.5
157.08807	0.4
158.06012	0.4
159.36673	0.2
163.03914	0.3
171.02876	2.7
172.07526	0.4
172.11211	5.7
174.09154	2.0
182.09657	0.3
188.10738	0.4
189.05492	1.7
198.09135	0.8
199.07487	0.4
200.10695	28.1
201.11150	0.5
202.12248	1.7
214.12311	1.8
227.03352	0.4
229.13304	1.1
231.14908	19.2
241.08508	0.4
273.03986	3.6
273.07553	11.2
273.15952	100.0
274.03955	0.3
274.07971	0.5
274.16281	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	273.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01858	6.7
55.05516	2.1
56.96557	5.7
57.03433	20.8
59.05013	2.3
59.14567	1.6
61.02636	1.6
61.02924	16.6
67.02702	1.5
68.99785	1.5
69.03429	39.6
69.64598	9.6
70.03732	2.0
70.06590	33.4
71.01352	2.5
71.04986	6.3
72.08160	13.3
73.02915	31.7
81.03415	15.9
82.06557	1.9
84.04495	2.0
84.08142	10.1
85.02902	100.0
86.03239	3.1
86.06055	2.5
86.09689	2.0
87.04459	4.8
88.03939	1.5
91.03940	5.8
91.05461	3.1
96.02415	1.8
96.04480	8.8
97.02888	44.1
97.07635	3.0
98.03564	10.5
98.09682	2.7
98.20831	3.1
98.97573	8.0
99.04436	9.3
101.00877	5.8
102.02417	2.2
103.03936	2.3
107.04955	3.2
109.02818	9.6
110.01302	1.4
110.09659	1.6
111.02934	5.7
111.04446	1.4
112.08581	1.9
114.10283	15.2
114.12806	2.0
115.03928	2.6
116.07079	8.6
116.98605	8.5
117.02892	2.1
119.01921	25.1
119.04938	6.6
120.00591	1.3
120.07909	6.8
120.09174	2.0
121.01648	2.0
123.02891	2.3
123.04421	4.5
124.03824	1.8
126.02551	3.2
126.05471	1.9
127.03910	35.6
128.98596	4.9
129.02928	2.9
131.00179	2.6
131.01869	10.5
132.03415	3.0
133.03384	2.4
134.99684	1.8
135.02969	1.7
135.09117	3.9
137.02925	1.9
137.10715	7.2
137.23128	1.5
138.03410	6.5
138.09125	15.5
140.04520	2.8
141.06613	2.3
143.01888	48.5
144.01958	3.7
144.03491	2.2
145.01759	1.8
145.03676	3.1
145.04961	22.5
146.99626	3.7
147.04410	20.6
149.01216	1.9
149.02885	3.4
152.07094	4.0
153.01823	45.6
153.02971	2.5
153.03952	6.5
153.54010	1.7
155.01868	18.2
155.11763	2.0
156.02034	2.3
156.03442	1.8
157.03442	4.5
157.88876	1.7
158.05617	13.6
161.01457	3.1
161.02948	56.7
162.03102	6.0
162.04485	3.3
163.02777	2.0
163.04381	3.6
163.69566	1.8
165.03951	3.0
167.01913	3.2
171.05069	3.1
173.02950	41.4
174.03093	4.9
174.04503	11.6
174.54559	3.4
175.04515	4.0
176.06102	2.0
176.56277	1.6
177.00742	3.7
177.04187	2.6
178.04977	2.4
180.11459	1.7
182.53516	1.8
183.05037	39.0
183.55077	8.8
184.04747	4.4
185.02875	17.7
186.03198	3.0
186.04715	4.1
187.04555	1.9
189.00655	3.2
191.02428	2.1
191.03912	9.6
191.54182	1.9
192.05580	17.9
192.55644	4.7
193.03650	3.4
193.85559	1.6
194.12935	3.2
194.55797	3.8
195.05244	1.8
197.02930	3.9
199.07523	1.9
201.00717	1.9
201.06073	2.9
203.03987	38.5
203.56366	2.6
204.04211	4.9
209.02853	1.9
210.08818	2.1
211.15575	19.3
212.17580	3.5
215.04036	5.9
221.05142	4.2
227.04056	2.8
229.15489	1.8
233.05078	9.0
245.05049	15.7
246.05112	2.7
255.06705	3.0
257.04886	2.1
263.06107	34.6
264.06430	4.3
264.57721	1.8
269.05331	2.5
273.07507	44.4
273.11835	13.2
273.15225	5.9
273.18204	3.4
274.07889	1.8
275.06158	5.2
287.06241	2.3
293.07272	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
54.13082	0.4
55.01863	0.8
55.05492	0.5
57.69760	0.4
65.03922	0.5
67.01853	7.7
67.05487	1.1
68.99763	3.8
69.03419	1.6
69.07027	0.7
70.88177	1.0
70.88598	1.0
79.05474	1.6
81.03414	1.5
81.07063	1.1
83.01330	0.7
83.04986	0.9
85.02893	0.7
89.46505	0.5
91.05466	5.0
93.07056	0.9
95.04977	1.4
95.08586	0.9
97.02891	2.3
105.07026	0.8
107.04946	8.0
107.08555	0.8
108.67545	0.5
109.02881	0.5
109.10125	0.6
111.04428	3.6
112.92905	0.5
119.04931	12.5
119.08581	0.9
121.02790	0.5
121.06503	1.7
121.10133	0.6
123.04408	6.2
123.11728	0.5
125.02313	1.1
127.03904	0.7
129.01857	1.2
129.06947	0.5
133.10152	0.6
135.04387	7.3
135.11697	0.6
137.02325	2.5
139.03896	4.7
147.04396	34.6
147.11688	0.9
148.04810	0.6
151.03954	1.0
153.01810	100.0
154.02103	1.0
157.06479	0.7
163.03882	8.8
171.02876	39.4
172.03162	0.6
173.02336	1.3
179.03412	1.7
181.06479	1.0
185.05920	0.8
187.07509	0.4
189.05463	2.4
199.07538	2.1
213.09088	0.6
215.06985	1.0
227.07042	0.9
231.06389	0.6
241.08498	0.9
245.08057	1.5
255.06483	6.6
273.07541	88.2
273.18527	1.2
273.25711	1.3
274.07928	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0751
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04663	0.5
50.45302	0.5
53.09410	0.4
56.89507	0.4
67.01576	0.5
67.01861	5.8
68.99781	2.9
69.03413	1.5
69.90026	0.9
69.90442	2.0
81.03407	0.7
91.05473	4.3
93.81555	0.4
95.04952	1.6
97.02898	1.4
107.04937	2.6
111.00743	0.5
119.04931	15.4
121.02858	0.4
121.06488	0.7
123.04404	3.4
123.29614	0.5
125.02287	0.6
129.01839	0.5
137.51154	0.5
147.04395	35.7
148.04678	0.5
153.01811	100.0
154.02112	0.7
171.02872	17.6
176.73720	0.5
179.03403	1.2
217.80309	0.4
273.07541	82.7
274.07867	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	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04659	0.5
52.17765	0.4
53.80899	0.4
55.01881	0.4
66.93718	0.4
67.01862	1.8
68.99782	1.8
69.03422	1.6
69.25140	0.4
69.89764	2.2
76.01863	0.4
79.05487	0.4
81.07056	1.0
91.05481	5.9
93.07046	0.8
95.04976	2.0
95.08612	1.0
97.02886	1.4
98.20712	0.5
107.04952	3.0
113.31806	0.5
119.04939	15.2
121.06505	0.9
123.04432	3.5
129.01814	0.4
131.63087	0.4
147.04404	46.1
148.04701	0.7
148.53723	0.5
149.06131	0.4
151.03920	0.7
153.01822	100.0
154.02141	1.8
157.06297	0.4
163.07455	0.4
171.02910	4.9
173.63638	0.4
179.03412	1.0
184.45091	0.4
189.05453	1.2
231.06679	0.7
273.07568	90.9
274.08017	2.4
291.07895	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.01383	0.5
53.37077	0.4
55.05518	0.5
61.62088	0.4
65.03947	0.6
65.11841	0.5
67.01859	4.1
68.99795	2.2
69.03420	1.8
70.06582	1.6
71.04996	0.7
71.62199	0.7
72.08154	0.8
81.07070	0.7
83.05002	0.9
84.08131	1.7
85.02888	1.2
89.88739	0.4
91.05475	7.5
95.04974	2.3
97.02883	1.2
98.97578	1.2
100.07616	0.4
101.06091	0.4
105.06992	0.4
107.04938	3.7
109.10098	0.7
116.98579	0.8
119.04939	15.8
119.08597	1.0
121.06496	1.5
121.10159	1.1
123.04436	4.3
127.03898	0.8
129.01767	0.7
134.99638	0.7
137.02342	1.8
140.95621	0.4
145.10039	0.5
147.04399	43.7
148.04646	1.0
151.03879	1.1
151.11130	0.6
153.01817	100.0
154.02180	1.2
171.02884	15.6
171.04369	0.9
171.11533	0.4
175.14806	0.5
177.00687	0.7
179.03358	1.2
181.06409	1.0
189.05487	1.5
195.54323	0.5
199.07425	2.1
207.06503	0.6
227.07027	1.2
231.06482	0.9
241.08498	0.5
255.06622	2.8
262.10657	0.6
273.07553	84.1
273.12360	3.2
274.07922	3.3
284.23294	0.6
285.68301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
67.01520	0.4
67.01858	5.4
68.99781	2.5
69.03443	1.2
69.35576	1.6
69.36014	1.2
81.03394	0.8
83.01321	0.5
83.40041	0.3
89.32395	0.3
91.04952	0.4
91.05473	5.0
95.04966	1.9
97.02888	1.5
98.21506	0.5
98.82642	0.2
98.97587	0.3
107.04943	2.4
109.02928	0.3
111.00806	0.7
111.43501	0.2
111.51880	0.3
116.98594	0.3
119.04935	15.1
119.08583	0.4
121.02897	0.5
121.06498	1.3
123.04424	3.6
125.02371	0.7
127.03914	0.4
129.01871	0.6
133.10106	0.3
147.04396	38.7
148.04755	0.7
151.03896	0.8
153.01813	100.0
154.02174	1.5
171.02878	21.6
179.03354	1.3
181.06439	0.4
185.05954	0.4
188.06917	0.3
189.05432	2.6
207.06474	0.3
231.06601	0.5
255.06514	0.7
255.15109	0.3
273.07550	83.7
274.07883	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	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
67.01861	4.3
67.05469	1.3
68.99787	1.9
69.03420	1.6
70.91356	1.2
79.05503	0.5
81.03404	0.8
83.01344	0.7
90.93109	0.5
91.05477	6.3
93.07050	0.9
95.04981	3.1
97.02870	1.1
107.04955	2.3
109.06505	0.5
111.00817	0.6
119.04087	0.9
119.04931	16.0
119.08556	0.6
121.02876	0.5
121.06470	0.8
123.04417	5.2
131.08514	0.8
135.08000	0.5
137.05963	0.7
142.52081	0.4
145.10112	0.8
147.04398	46.5
148.04692	0.6
151.03911	0.6
153.01817	100.0
154.02150	1.0
171.02881	18.2
171.04289	0.8
179.03357	1.2
189.05492	0.8
192.13422	0.5
197.74849	0.5
207.39780	0.5
255.06493	0.9
273.07553	96.9
274.07834	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	271.0962
Annotation	7-Hydroxy-3',4'-methylenedioxyflavan
Peak:m/z	Relative Intensity
51.02378	0.3
53.03936	0.7
53.43955	0.3
53.44658	0.3
55.01857	1.0
55.05499	0.5
65.03923	0.5
67.05501	3.4
68.99786	5.3
69.88144	0.8
69.88563	0.9
72.87431	0.3
75.24603	0.3
79.05485	2.1
81.07048	1.3
91.05474	2.2
93.07020	1.5
95.04951	5.3
95.08587	0.5
97.10126	0.3
98.20824	0.4
103.05431	0.7
105.07025	3.9
107.04949	1.4
119.04934	0.5
119.08519	0.3
121.06489	0.8
123.04417	100.0
124.04745	1.5
133.06473	6.4
135.04408	4.0
136.05203	0.4
137.02312	0.4
137.05983	3.7
147.04390	1.8
149.05969	41.4
150.06364	0.5
153.01807	0.9
155.08504	0.3
161.05966	14.8
162.06349	0.3
179.08450	0.5
197.05690	0.3
207.08112	0.4
211.07497	0.9
225.05356	0.3
225.09103	1.6
228.12630	0.3
235.07498	0.4
253.08574	4.1
261.27637	0.3
271.06042	11.7
271.09610	45.6
272.06430	0.4
272.09921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	7-Hydroxy-3',4'-methylenedioxyflavan
Peak:m/z	Relative Intensity
53.03933	0.4
55.01865	0.7
55.05512	0.7
55.88093	0.3
55.95324	0.3
57.07063	0.3
61.28348	0.3
65.03936	0.6
67.05503	4.0
68.99785	5.7
69.03432	0.4
69.07057	0.8
70.75344	0.4
70.75689	0.8
71.04990	0.3
72.08173	0.3
79.05486	2.5
81.03387	0.4
81.07055	2.7
83.08613	0.3
85.02895	0.3
87.56956	0.3
91.05483	3.0
91.68949	0.3
93.07066	2.4
95.04963	6.2
95.08619	1.3
97.06533	0.5
97.10165	0.6
101.60023	0.3
103.05449	0.8
105.07035	5.1
105.07678	0.6
107.04922	1.4
107.08591	0.8
109.02859	0.3
109.10119	0.9
110.00098	0.3
111.04490	0.4
111.11700	0.4
113.26047	0.3
115.05432	0.6
119.04948	1.7
119.08565	1.1
121.02868	0.6
121.06504	1.2
121.10102	0.6
123.04423	100.0
124.04734	1.1
124.61217	0.3
125.05975	0.5
128.06137	0.3
129.06981	0.3
131.08588	0.5
133.06488	6.8
133.07440	0.6
133.10150	0.9
134.15533	0.3
135.04437	0.9
135.11656	0.3
137.06013	2.2
137.13174	0.3
141.06996	0.5
141.30168	0.3
143.08582	0.4
145.10059	0.5
147.04387	2.4
147.11691	0.5
149.05974	39.7
150.06319	0.4
153.01808	2.1
153.07004	0.6
155.08473	0.4
157.10153	0.8
159.08167	0.4
159.11688	0.3
161.05977	13.1
161.13313	0.6
165.06953	0.7
167.08560	0.4
169.10112	0.7
173.13254	0.6
179.08556	0.6
179.14323	0.4
183.08012	0.9
183.11650	0.7
185.09686	0.4
197.05994	0.7
197.09660	0.7
201.09146	0.4
207.08057	0.7
207.98813	0.3
211.07530	1.4
215.06949	0.4
225.05444	0.3
225.09129	1.2
225.16327	0.8
235.07532	0.4
239.07011	0.4
243.06577	0.5
249.46519	0.4
253.08598	4.0
271.06018	25.2
271.09625	44.5
271.16861	1.6
271.24149	1.0
272.06335	1.0
272.09970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.1
52.17221	0.1
55.01871	0.2
55.05497	0.2
56.96568	0.1
60.05624	0.1
63.02392	0.1
65.03927	0.4
66.10192	0.1
67.01855	0.5
67.05486	0.1
68.99780	1.1
69.03427	0.2
69.07082	0.1
70.06613	0.1
70.64495	0.2
72.08150	0.8
76.04190	0.1
79.05464	0.1
81.03399	0.2
81.07050	0.2
83.04970	0.1
85.06544	0.1
89.03902	0.2
89.10748	0.1
91.05472	4.3
93.07013	0.1
95.01331	0.3
95.04965	0.1
95.08592	0.2
97.02859	0.2
99.04455	0.1
99.08032	0.1
105.03394	0.2
105.07024	0.2
106.06363	0.1
107.04943	0.5
107.08601	0.1
109.02869	0.4
109.06499	0.1
109.10169	0.1
110.02387	0.1
111.00796	0.5
111.04397	0.1
114.10275	0.3
114.11048	0.1
115.05399	0.3
117.03345	0.1
117.07008	0.3
118.04144	0.1
119.04931	1.7
119.08575	0.3
121.02859	0.9
121.06435	0.1
125.05970	0.1
127.03901	0.2
128.06207	0.2
129.06978	0.3
131.04907	0.7
131.08554	0.5
131.12924	0.2
133.02827	0.2
133.06508	0.2
133.10153	0.1
134.03575	0.1
135.04451	0.3
137.02336	0.4
137.05954	0.1
141.06961	1.5
141.59993	0.5
143.08562	0.1
144.05714	0.1
145.02835	2.3
145.06512	0.4
147.04391	1.0
147.08054	0.4
147.11659	0.1
149.02328	3.8
150.03004	0.1
153.01813	11.4
153.07018	0.2
153.54420	0.1
154.02156	0.1
154.07785	0.1
155.04895	0.2
155.08524	0.1
157.06462	0.1
157.10104	0.1
159.04414	1.5
159.08061	0.4
161.05945	0.1
163.03903	0.1
165.01842	1.1
165.06998	0.3
167.03410	0.1
168.09477	0.1
169.06468	2.3
169.09998	0.2
171.02875	0.1
173.05968	0.5
175.07567	0.3
177.05447	0.5
178.02534	0.1
181.06454	0.2
181.10146	0.1
182.10832	0.1
183.02873	0.3
183.04425	0.2
183.07991	0.2
183.11655	0.2
185.05977	0.2
185.09625	0.1
187.03949	0.5
187.07520	0.8
191.03452	0.1
197.05971	2.3
197.13232	0.1
198.06419	0.1
199.07324	0.1
200.04662	0.4
201.05377	0.3
203.06905	0.1
211.03903	0.2
211.07536	0.2
211.11324	0.1
213.05455	0.2
215.07008	8.1
216.07289	0.1
218.11794	0.2
219.06512	0.2
225.05423	0.8
225.16350	0.1
226.06305	0.1
227.06978	0.2
228.04170	0.1
229.04912	0.1
241.04927	0.1
242.05679	0.2
242.09395	0.1
243.06511	5.6
247.06068	0.1
248.12788	0.1
253.04930	2.5
271.05978	100.0
272.06320	1.8
277.16815	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	271.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.1
53.03950	0.0
54.05346	0.0
55.01873	0.2
55.05520	0.1
57.03419	0.1
57.07056	0.1
65.03942	0.4
65.04249	0.1
67.01859	0.4
67.05511	0.1
68.99783	1.1
69.03414	0.2
69.07052	0.1
70.30418	0.1
71.04988	0.1
72.08139	0.2
75.54324	0.1
79.01844	0.0
79.05466	0.1
81.03399	0.1
81.07050	0.2
82.74827	0.1
89.03913	0.2
91.05473	4.2
93.07039	0.1
95.01317	0.2
95.04964	0.2
95.08593	0.1
97.02871	0.1
99.08072	0.1
103.05482	0.1
105.03380	0.2
105.07005	0.2
107.04946	0.5
107.08549	0.1
109.02880	0.3
109.06485	0.1
111.00773	0.3
111.04396	0.1
115.05450	0.3
117.03368	0.1
117.07011	0.3
118.04215	0.1
119.04933	1.7
119.08567	0.2
121.02871	0.8
123.04382	0.3
123.08037	0.1
123.11689	0.0
127.03919	0.1
128.06224	0.2
129.07005	0.2
131.04926	0.6
131.08556	0.3
133.02858	0.2
133.06483	0.2
133.10124	0.1
135.04446	0.3
137.02328	0.4
141.06975	1.2
143.08528	0.1
144.05666	0.1
145.02837	1.9
145.03989	0.1
145.06519	0.4
145.10088	0.1
147.04408	0.6
147.08076	0.4
149.02330	3.4
149.05815	0.1
150.03094	0.1
152.06230	0.1
153.01813	10.8
153.06985	0.2
155.04922	0.1
157.06503	0.2
157.10097	0.1
159.04404	1.5
159.08060	0.5
161.05917	0.1
163.03922	0.1
165.01816	0.9
165.07034	0.2
167.03389	0.1
169.06471	2.0
169.10216	0.1
171.02895	0.1
173.05960	0.5
173.13297	0.1
174.06628	0.1
175.07469	0.3
177.05464	0.1
178.02541	0.1
181.06467	0.1
183.02875	0.3
183.04425	0.3
183.08098	0.1
183.11681	0.1
185.05934	0.2
185.09528	0.1
187.03929	0.6
187.07532	0.9
191.03421	0.1
194.31963	0.1
196.05197	0.1
197.05966	2.2
197.09508	0.1
197.13211	0.1
199.07565	0.1
200.04659	0.4
201.05461	0.4
203.07019	0.1
210.06807	0.1
211.03888	0.2
211.07533	0.1
213.05495	0.3
215.07014	7.5
216.07352	0.1
219.06523	0.2
225.05438	0.7
225.09105	0.2
226.06154	0.1
227.07072	0.2
228.04170	0.1
229.04922	0.2
242.05779	0.2
243.06509	5.5
244.06924	0.1
247.65530	0.1
253.04935	2.9
271.05984	100.0
272.06323	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	271.0596
Annotation	Genistein
Peak:m/z	Relative Intensity
55.01850	0.3
55.05476	0.3
60.37392	0.3
67.05486	0.6
67.94122	0.2
68.99771	0.9
69.07056	0.4
69.11684	0.3
79.05470	0.6
81.03415	0.6
81.07034	1.1
89.03922	0.4
91.05460	1.2
93.07020	0.6
95.04940	0.5
95.08582	1.3
97.98576	0.2
105.03354	0.7
105.07012	1.2
107.04953	0.6
107.08554	0.6
109.02845	0.7
109.10126	0.8
119.04923	0.8
119.08598	0.8
121.02877	0.7
121.10102	0.4
123.04416	3.1
123.11692	0.3
125.06049	0.3
127.03845	0.3
129.06926	0.3
131.05020	0.3
131.08530	0.9
133.06508	0.3
133.10118	1.0
135.04388	0.6
135.11761	0.3
137.02322	8.9
137.05904	0.3
139.05347	0.3
141.06961	2.9
144.05696	0.3
145.06470	0.4
145.10139	0.3
147.04370	0.3
147.11618	0.4
149.02304	0.8
149.05959	1.5
149.13234	0.5
152.06160	0.3
153.01820	2.3
153.06953	0.4
155.05002	0.3
157.06482	0.3
157.10103	0.5
159.08040	0.7
159.11633	0.3
161.02284	1.2
161.05946	1.0
161.13240	0.5
163.03937	0.4
165.06976	0.5
169.06476	3.2
169.10043	0.3
173.05994	0.6
173.13277	0.6
175.03941	0.3
175.14806	0.5
181.06445	1.8
182.07321	0.3
183.04451	0.7
183.07976	0.4
183.11752	0.4
187.04094	0.3
187.07594	1.4
189.16380	0.4
193.04947	0.4
197.05949	5.9
197.09601	0.3
197.13248	0.3
200.04620	0.6
201.05508	1.4
201.16315	0.5
211.07529	0.5
215.07004	8.3
215.17944	0.4
224.04535	0.5
225.05441	10.4
225.16336	0.4
243.06564	2.0
253.04922	4.9
271.05984	100.0
271.16940	1.1
271.24200	3.5
272.06302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Genistein
Peak:m/z	Relative Intensity
51.81071	0.2
55.01850	0.3
55.05496	0.6
57.03417	0.4
63.13006	0.2
65.03916	0.5
67.01853	0.8
67.05500	0.8
68.99773	1.4
69.07054	0.5
70.15910	0.9
71.04964	0.2
71.14133	0.2
74.25446	0.2
76.05500	0.2
79.05490	0.4
81.07037	1.5
82.96589	0.2
91.05476	4.2
93.07022	0.4
95.01345	0.3
95.05025	0.2
95.08597	1.9
97.06525	0.2
105.07011	0.5
107.04945	0.5
115.05422	0.3
118.97651	0.2
119.04947	1.8
119.08632	0.5
121.02856	0.8
129.07050	0.2
131.04912	0.6
131.30553	0.2
133.10147	0.5
135.04410	0.5
137.02325	0.3
137.13222	0.3
137.78146	0.2
141.06976	1.4
145.02834	2.3
145.06454	0.5
147.08072	0.4
149.02341	3.5
149.98564	0.2
153.01822	11.2
155.04872	0.2
157.36871	0.2
159.04437	1.3
159.07961	0.5
161.13248	0.6
165.01814	1.0
169.06468	2.3
171.02911	0.2
175.07545	0.3
178.02573	0.4
179.14317	0.4
183.02957	0.3
183.04491	0.3
187.03862	0.4
187.07501	0.7
197.05986	2.3
200.04767	0.3
201.05438	0.3
213.05405	0.3
215.07005	7.4
215.64638	0.2
217.27020	0.2
225.05487	0.6
243.06523	5.0
253.04947	2.4
271.05994	100.0
271.18961	1.7
272.06311	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	271.0588
Annotation	Apigenin
Peak:m/z	Relative Intensity
67.01558	0.1
67.01862	1.4
67.05500	0.2
68.99792	1.1
69.03432	0.1
69.82745	0.9
70.37363	0.1
79.05465	0.2
81.07037	0.2
81.50981	0.1
89.06639	0.1
91.05482	1.4
95.04945	0.3
95.08569	0.1
97.49958	0.1
98.01705	0.1
98.35150	0.1
105.06998	0.2
106.63949	0.1
119.04087	0.3
119.04945	4.7
121.02854	1.5
123.04427	2.6
125.05988	0.2
127.03922	0.2
129.01845	0.6
129.07008	0.2
133.06485	0.3
141.06967	0.2
145.02838	1.6
145.06480	0.1
149.05980	1.1
153.01823	9.4
157.10092	0.1
159.11760	0.2
161.05971	0.5
163.03926	0.9
169.06410	0.4
169.10190	0.3
171.02878	1.6
181.09988	0.2
183.07950	0.2
183.11638	0.3
187.03903	0.4
189.17657	0.1
197.05981	0.2
202.06252	0.1
203.06996	0.3
211.11107	0.2
225.05470	0.5
225.16426	0.2
229.04997	0.6
242.86436	0.1
243.06445	0.8
247.06056	0.2
249.60901	0.1
253.05009	0.2
271.06000	100.0
272.06351	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	271.0599
Annotation	Pelargonidin
Peak:m/z	Relative Intensity
51.12339	0.2
53.03929	0.2
54.22863	0.2
55.01861	0.5
55.05495	0.4
61.82566	0.2
65.03931	0.4
65.37061	0.2
66.92097	0.1
67.05482	0.6
68.99787	1.9
69.03424	0.2
69.07046	0.4
70.74869	0.7
72.08148	0.8
79.05499	0.4
81.03403	1.3
81.07053	1.0
83.08611	0.3
85.02902	0.2
85.06517	0.3
87.03910	0.2
91.05450	0.7
93.07024	0.8
95.04958	0.4
95.08607	1.0
97.02886	0.3
103.05467	0.5
105.03403	0.9
105.07024	0.7
107.04947	1.2
107.08559	0.6
109.02843	0.4
109.10151	0.5
110.03604	0.2
111.04427	0.3
114.10320	0.3
115.05415	0.5
117.07002	2.0
119.04916	0.6
119.08556	0.7
121.02872	0.4
121.10124	0.6
123.11677	0.3
127.03889	0.5
128.06157	0.2
129.06978	0.3
131.04912	0.7
131.08546	0.4
131.12883	0.3
133.02803	0.4
133.10117	0.6
134.03613	0.4
135.04405	0.5
135.11694	0.3
137.02324	16.1
141.06976	0.7
144.05711	0.4
145.05382	0.3
145.06477	4.2
145.07617	0.2
145.10117	0.7
147.04395	1.0
147.08076	0.2
147.11642	0.3
149.02319	0.7
149.13246	0.4
153.01782	0.5
153.06990	0.4
155.04895	0.4
155.06044	0.5
155.08556	0.3
157.06546	0.3
157.10149	0.4
159.07997	0.4
159.11652	0.5
161.02333	2.5
161.13242	0.5
162.03214	0.2
165.06967	0.5
167.61661	0.2
169.06490	1.0
169.10139	0.3
171.11729	0.2
173.05975	8.1
173.13255	0.4
173.68346	0.2
175.03848	0.3
175.14828	0.2
177.05460	0.3
181.06488	0.4
183.08150	0.2
183.11668	0.3
187.03909	0.5
187.07507	1.4
187.14821	0.4
189.05435	0.5
189.16263	0.2
193.04924	0.3
197.05942	1.9
197.13260	0.3
199.07460	0.3
200.04727	1.2
201.05450	37.4
201.16313	0.4
202.05737	0.4
203.07011	0.8
207.02841	0.3
210.06786	0.2
211.07492	0.3
211.11258	0.3
215.07021	8.7
215.17902	0.3
225.05478	1.5
225.16354	0.4
229.04924	3.7
239.06828	0.2
243.06459	2.1
253.04915	1.9
271.05988	100.0
271.24167	2.7
272.06271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1699
Annotation	Heliohoustine
Peak:m/z	Relative Intensity
53.03928	1.9
55.01855	4.8
55.05511	9.9
56.05005	3.6
56.96545	4.4
57.03411	3.9
57.07059	1.3
58.06586	1.6
60.04497	1.2
61.02896	4.4
66.04663	1.2
67.05473	4.8
68.04990	3.6
69.03421	9.0
69.07048	2.4
70.06588	16.7
70.20372	1.1
71.04996	7.6
71.62692	2.1
72.08144	18.1
73.02895	3.2
73.06550	38.5
76.03970	1.5
79.05474	6.4
80.04992	2.7
81.03404	6.8
81.07056	8.1
82.06548	3.3
82.15704	1.1
83.04959	1.2
84.04487	3.0
84.08142	18.4
85.02901	49.1
85.06528	1.7
86.03212	1.2
86.06054	2.1
86.09704	5.9
87.04465	12.9
87.81933	1.1
89.10772	1.4
91.03922	2.8
91.05469	8.2
93.07043	13.4
94.06551	2.7
95.04941	2.8
95.08585	6.5
96.08117	2.6
97.02879	12.7
97.06520	17.7
98.06030	2.9
98.09676	1.8
98.97559	2.5
99.04433	3.7
102.05538	1.8
102.09102	1.2
105.06998	3.2
107.04939	1.6
107.08605	2.3
109.02881	7.5
110.06027	2.0
110.07126	4.1
110.09672	31.4
111.04390	1.8
114.05479	1.3
115.03880	4.2
116.07057	2.4
116.98597	2.8
117.06976	1.6
119.01892	1.6
119.04939	5.7
119.08543	1.3
120.08047	2.0
121.06465	2.7
122.05997	2.0
122.09673	11.3
123.08005	2.1
124.07570	1.9
124.11214	2.4
125.05995	9.4
125.06906	1.6
127.03900	14.9
127.08569	1.6
130.08621	1.2
131.08569	1.6
134.99651	2.1
135.04485	1.4
135.08057	6.7
136.07544	1.7
136.11195	1.8
137.09508	1.5
138.05449	2.8
139.04999	2.2
140.03400	2.0
140.10634	2.3
145.02861	1.7
145.03923	1.4
145.04953	20.7
145.10077	3.6
147.04384	18.9
148.07475	1.4
150.09096	2.6
152.07024	1.4
153.01779	2.6
155.08127	2.4
158.05939	1.7
161.02823	1.7
163.03833	2.4
163.05977	6.8
163.07491	5.2
164.07033	1.5
164.10724	2.8
179.08519	1.7
180.10193	1.4
181.08551	1.9
181.73697	1.4
186.05499	6.3
197.09219	1.5
198.11249	8.0
207.08157	1.1
210.09377	1.3
210.11258	7.5
218.11716	2.4
222.14856	3.0
224.10641	3.9
228.12242	3.9
234.14955	2.4
242.11328	3.6
252.15933	100.0
253.12845	1.4
253.16057	2.2
257.12766	1.5
270.10809	2.4
270.16922	77.3
271.05972	18.0
271.13208	1.6
271.16742	1.9
293.10770	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	270.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15272	1.2
52.88325	1.8
53.03933	1.9
55.01863	3.5
55.05510	7.5
56.05019	1.8
56.96561	3.9
57.03438	5.9
60.85571	1.1
61.02921	10.4
67.05507	1.7
68.05019	1.4
69.03421	18.0
70.06236	1.8
70.06589	19.9
70.65171	2.4
70.65557	2.4
71.04976	2.7
72.08155	10.8
73.02902	3.7
73.06552	40.3
76.04020	1.3
79.05493	2.2
81.03416	7.7
81.07053	4.3
82.06584	2.6
83.06116	1.6
84.08138	15.2
85.02900	100.0
85.08456	1.7
86.06037	2.0
86.09715	3.5
87.04474	5.8
89.10781	1.2
91.03937	6.6
91.05469	3.9
93.07046	5.4
95.06110	1.7
96.08127	2.4
97.02892	22.5
97.06512	5.7
98.06080	2.5
98.09679	2.4
98.97565	3.0
99.04501	6.5
100.07619	1.2
109.02892	10.6
110.07182	6.0
110.09689	8.9
111.04427	4.7
111.10023	2.2
114.05559	1.4
115.03963	1.5
115.05529	1.5
116.07081	2.7
116.98658	2.8
117.57405	1.0
119.04930	2.7
122.06039	1.6
122.09677	2.8
123.24600	1.3
124.11232	3.3
125.05974	2.7
126.05505	1.6
127.03916	29.3
127.08662	2.9
135.08051	2.6
137.05968	4.7
138.05510	7.9
138.34802	1.4
140.03313	1.6
140.07103	1.4
145.04953	50.8
145.10124	1.3
147.04405	11.4
150.09215	1.6
153.01849	1.6
155.08144	1.4
160.07484	1.4
162.09149	1.6
163.03886	1.7
163.06027	17.7
163.07381	2.9
163.09529	3.0
172.95284	1.2
178.04855	1.5
179.07040	1.9
179.08530	3.1
186.05412	2.3
192.02925	1.4
192.06618	1.5
197.09294	1.3
198.11195	6.3
199.09782	1.8
207.08037	2.2
210.09264	1.2
210.11226	3.8
217.10709	1.6
224.10747	7.0
228.12296	6.0
252.15823	16.9
252.17915	2.8
253.12796	4.5
270.06058	2.9
270.09607	3.1
270.14215	2.5
270.16635	26.4
270.19174	8.9
271.05994	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	270.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.3
55.05485	9.9
56.96553	7.8
57.03423	6.6
57.07082	6.1
59.05006	24.0
60.04510	4.9
61.02913	5.1
64.67685	3.9
68.05009	4.1
69.03420	7.4
69.07045	11.9
69.72359	28.2
70.06581	27.2
70.16763	3.5
70.35411	3.6
71.01353	5.7
72.08155	69.1
72.32442	3.5
73.06548	48.8
75.04469	14.6
76.17535	3.0
81.03405	8.1
84.04460	5.0
84.08143	22.3
85.02886	21.0
86.09685	11.5
87.04460	26.8
89.10764	4.9
91.05472	9.9
91.07605	5.6
95.08611	4.6
97.02862	8.2
97.10134	4.3
98.06052	9.3
98.09665	6.9
98.97552	6.3
103.03943	8.3
105.07047	5.9
107.04964	6.8
115.08655	4.1
119.04922	15.0
122.05992	3.8
122.09669	52.3
127.03901	4.9
128.07170	4.1
131.03397	15.4
132.08131	3.6
134.09612	5.3
135.04398	5.2
138.05437	4.9
145.04927	7.8
147.04399	67.7
148.04735	4.3
148.07520	4.5
156.10390	3.7
161.04478	34.3
162.05473	4.2
163.03893	11.4
164.07021	11.3
201.06696	3.7
206.11707	4.6
210.11226	3.7
217.03433	100.0
218.11803	7.9
222.07600	7.2
224.12811	15.7
224.16493	16.2
235.04446	30.1
235.14513	4.1
252.08836	6.2
252.12245	8.2
252.16046	5.9
253.13148	4.2
255.54131	3.7
270.09537	4.4
270.13510	20.7
270.16956	92.4
270.19174	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05500	0.7
55.47054	0.2
56.05028	0.4
57.07047	0.2
58.06580	0.4
62.91003	0.2
67.18977	0.2
70.06571	0.9
71.04984	1.5
71.07257	0.4
71.07605	0.5
72.08141	0.7
79.05487	6.7
81.07053	2.6
84.08145	1.2
86.06059	3.1
88.07632	0.4
90.12451	0.2
91.05473	0.9
95.08604	1.2
95.55933	0.2
98.06065	1.7
102.09163	0.4
105.07018	0.7
107.08589	6.7
108.08083	0.2
109.06514	0.2
110.09642	0.4
112.11262	1.1
113.23689	0.2
114.05537	3.2
125.09619	0.9
126.05490	0.7
138.12781	0.8
144.70839	0.3
147.04405	0.4
152.06979	0.3
154.08646	0.4
154.12262	1.9
156.13809	0.9
159.30370	0.2
181.19704	0.2
199.76753	0.2
208.05754	0.2
208.13266	0.4
215.43063	0.3
223.14410	1.0
251.17419	1.1
269.18588	100.0
270.18918	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70546	0.3
55.01859	0.6
55.05503	3.3
56.05026	0.8
56.96556	1.1
57.03429	0.4
58.06591	1.0
67.05497	0.9
69.03418	0.7
69.07062	0.4
70.06585	2.8
71.04996	2.2
71.62038	0.6
72.08153	10.7
79.05491	5.0
81.03436	0.4
81.04507	0.6
81.07044	2.5
82.06590	0.5
84.08140	6.6
85.02916	0.6
86.06064	2.6
87.04436	0.4
88.07604	0.7
89.10780	2.7
91.05467	1.3
93.07027	0.9
95.08614	1.8
96.08101	0.7
97.02874	0.6
97.06509	1.4
98.06049	12.5
98.09682	0.5
98.97572	0.9
99.09994	0.3
100.07607	1.0
101.00834	0.4
102.09178	6.1
102.25961	0.3
105.07030	0.8
107.04941	2.0
107.08584	5.2
108.08169	0.5
109.06507	0.8
110.07153	2.3
110.09688	4.3
112.11217	0.7
114.05536	3.2
114.09151	0.4
115.08685	12.0
116.98605	0.4
118.08664	0.7
119.01900	1.3
120.08120	0.5
122.07139	1.0
122.09654	1.0
124.07613	0.4
125.05959	0.7
126.05480	0.6
130.08594	0.7
134.09625	0.8
135.04402	1.0
135.08061	0.6
136.07564	0.7
136.11205	0.7
137.02980	0.3
138.05511	1.0
138.09100	0.7
138.12793	0.6
140.10666	0.5
140.23393	0.4
146.09641	0.4
147.04356	0.7
150.09100	2.3
152.10667	0.7
154.12242	2.2
156.07607	0.5
156.13823	0.8
162.09129	4.5
163.03876	2.1
163.07463	0.6
164.10786	0.9
166.08708	0.4
168.10168	0.6
175.04280	0.4
178.12221	0.8
180.10187	2.6
190.12250	1.1
192.10144	0.6
192.13715	0.4
197.55283	0.3
202.12256	0.7
208.13136	0.4
209.12976	0.6
215.00401	0.4
220.13362	1.5
221.16452	2.1
223.14415	1.1
233.12926	0.5
233.16495	0.8
234.11221	1.8
234.14961	0.8
238.14328	0.7
246.06390	0.4
251.13896	6.8
251.17543	7.0
252.15930	1.4
269.18585	100.0
270.16748	1.0
270.19031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53376	0.9
55.01862	1.9
55.05503	6.6
56.05013	1.7
56.96550	1.8
58.06590	3.6
58.34162	0.7
61.02908	2.2
67.05488	1.9
68.05016	1.8
69.03414	2.7
70.01152	4.2
70.06583	7.0
71.04981	2.0
72.08150	21.5
74.06049	0.8
79.05485	4.1
80.05019	0.7
81.03419	0.8
81.04524	2.5
81.07048	4.7
82.06575	1.6
83.06070	1.3
84.04512	0.7
84.08139	21.0
85.02899	1.4
86.06055	1.9
86.09679	1.7
87.04452	2.1
88.07597	1.0
89.10774	5.0
89.26606	0.6
91.05465	2.8
93.04508	1.9
93.07021	1.8
94.06523	1.8
95.08606	1.7
96.08118	5.3
97.02837	1.1
97.06498	4.8
98.06047	16.2
98.09664	1.5
98.21352	0.8
98.97559	1.6
100.07652	4.6
102.09168	19.7
105.07004	1.7
107.04951	2.6
108.08089	1.0
109.06487	2.1
110.06009	1.1
110.07159	19.6
110.09667	14.4
112.07584	2.3
114.05512	0.8
114.09133	1.7
115.08686	12.9
118.08636	17.5
119.01910	1.8
119.04942	1.6
120.08100	1.6
121.06486	0.9
122.07161	4.2
122.09647	3.9
124.07565	3.0
124.11214	2.1
125.05967	2.4
128.10721	0.7
130.08658	1.0
134.09622	3.8
135.04387	2.4
135.08009	3.7
136.07555	1.7
136.11177	2.8
138.05496	1.9
138.06512	0.8
138.09135	2.4
140.06967	0.8
140.10655	3.4
147.04338	4.8
148.07567	2.4
148.11206	1.0
150.09131	9.4
150.12881	0.8
152.10687	11.0
156.07645	2.7
160.11215	1.6
162.09135	23.3
163.02704	1.0
163.03891	9.1
163.07527	1.9
164.10666	4.0
174.12746	2.4
178.12256	12.7
180.10179	12.8
182.07997	0.8
190.12236	9.5
192.10161	1.3
192.13853	2.0
195.14941	0.7
196.13194	1.0
202.12222	4.8
209.16443	1.4
218.12006	0.8
220.13309	13.1
221.16464	6.7
233.12830	0.7
233.16570	3.5
234.11217	3.9
234.14804	3.9
238.14330	3.6
239.17500	1.4
251.13931	12.9
251.17535	25.4
252.12271	1.7
268.97720	0.8
269.12231	2.3
269.15576	8.2
269.18582	100.0
270.18900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03925	3.7
55.01849	3.9
55.05511	21.4
57.03434	30.2
57.07050	4.8
65.03918	1.9
67.05500	80.2
69.03404	2.3
69.06727	2.1
69.07063	26.5
69.36968	13.0
71.01324	1.2
71.04990	8.3
71.08633	1.9
72.08145	1.9
73.02911	1.2
79.05490	42.5
81.03407	2.6
81.07052	100.0
82.07361	2.1
83.04983	9.2
83.08618	19.0
85.06540	7.6
91.05473	31.7
93.07037	75.2
95.04956	8.0
95.08597	35.6
97.02850	1.5
97.06520	18.7
97.10134	3.3
98.21495	2.4
99.04440	2.8
99.08119	6.2
105.07027	14.2
107.04924	1.6
107.08591	37.6
109.06499	4.6
109.10144	8.8
111.08064	10.6
113.06001	2.5
113.09600	1.7
115.05449	1.3
117.07022	14.9
119.08559	6.7
121.06458	2.5
121.09311	1.6
121.10135	20.9
123.08032	1.9
123.11675	3.5
125.09552	1.3
129.06958	2.6
131.08571	18.5
133.10115	18.1
135.07991	4.2
135.11671	14.0
139.11140	1.9
143.08527	1.8
145.10088	4.0
147.11685	3.5
149.09615	2.4
149.13255	47.0
151.11128	3.7
157.10094	2.7
159.11693	40.5
161.13245	2.7
167.14340	1.9
169.10078	1.5
171.11653	2.0
173.13252	2.3
177.12729	23.0
179.14282	3.4
185.13190	1.3
195.13809	17.6
213.14722	2.5
213.16508	1.9
215.17819	2.2
233.15392	1.7
233.18927	1.6
237.05418	1.9
251.16307	3.0
251.20015	4.8
269.08160	8.0
269.17432	83.0
269.22525	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	269.1744
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
50.94797	0.9
53.03934	2.1
55.01858	2.5
55.05265	1.5
55.05505	19.7
57.03432	31.8
57.07054	3.9
60.42835	0.9
65.03913	2.5
67.05499	84.1
69.03401	1.7
69.07061	26.5
69.42950	2.0
69.43362	6.7
71.04984	5.6
73.02898	0.9
78.26850	0.8
79.05486	44.3
81.03397	2.7
81.07050	100.0
82.07349	0.9
83.04975	9.3
83.08135	1.3
83.08613	19.7
85.06544	8.0
91.05471	27.6
92.64890	0.8
93.07036	73.9
95.04965	8.5
95.08597	29.2
97.06526	16.8
97.10141	3.1
99.08083	4.5
100.72099	0.9
105.07020	12.8
107.04919	1.1
107.08584	36.0
109.06528	5.5
109.10146	7.0
111.08083	9.6
113.05978	1.1
117.07008	13.3
117.30830	0.8
119.08585	4.0
120.62892	0.8
121.06467	1.4
121.09306	1.3
121.10132	18.6
123.11672	4.1
125.09656	1.5
127.07511	2.1
131.08553	13.3
133.10121	13.6
135.08043	3.0
135.11682	14.1
139.11171	1.9
143.08534	1.2
145.10095	1.8
147.11673	2.3
149.09537	1.7
149.13243	47.3
150.13467	1.0
151.11156	1.9
151.23805	0.8
157.10069	1.3
159.11673	28.1
161.13191	2.8
164.85239	0.9
167.14294	1.5
173.13298	1.2
177.12723	19.5
179.14316	1.9
195.13792	15.5
199.14937	0.9
205.12267	1.3
213.14780	1.4
213.16643	0.9
227.06990	2.4
233.18893	0.8
251.16406	2.0
251.19965	1.7
255.06548	1.3
269.04349	2.4
269.08105	5.7
269.17441	82.7
269.22495	3.5
270.08762	2.7
270.17801	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	269.1744
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03918	2.3
55.01856	2.4
55.05262	1.7
55.05504	23.6
57.03432	26.1
57.07070	9.2
66.24200	1.8
67.05496	78.5
69.03425	1.7
69.06723	2.5
69.07062	33.8
71.04961	5.2
71.08596	3.6
79.05058	2.7
79.05484	43.2
81.03406	3.1
81.07049	100.0
83.04971	9.5
83.08603	20.6
85.06507	6.6
86.52557	1.5
91.05472	24.9
93.07035	78.8
95.04973	9.2
95.08595	30.4
97.06511	14.9
97.10155	2.8
99.08082	4.0
105.07027	14.6
107.04908	3.3
107.08585	37.2
109.06490	4.9
109.10134	12.2
111.04417	1.7
111.08086	9.6
115.05418	3.4
117.07021	14.3
119.08534	4.7
120.46460	1.7
121.06516	1.8
121.10138	17.3
123.11683	7.2
125.09621	1.9
130.03902	2.1
131.08557	17.7
133.10136	18.0
135.07997	2.4
135.11674	13.3
145.10089	3.8
147.11664	3.4
149.09604	2.0
149.13245	38.6
151.11203	2.0
159.11671	29.0
161.13242	2.0
173.68033	1.8
175.14803	2.1
177.12746	18.0
195.13791	17.3
205.15654	1.7
227.07043	1.9
251.16023	1.7
251.20035	6.7
269.04440	3.3
269.08002	5.1
269.17416	73.9
269.22018	9.8
272.99954	1.6
287.19608	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	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
53.03919	2.0
55.01852	2.6
55.05509	18.4
57.03430	26.2
57.07048	4.6
65.03925	2.0
67.05500	68.0
69.06726	2.6
69.07061	30.3
69.58461	2.7
69.58874	7.9
71.04961	6.1
79.05486	42.1
81.03398	3.9
81.07051	100.0
81.66290	1.4
83.04955	8.3
83.08607	18.9
85.02875	2.1
85.06523	7.1
91.05473	26.7
93.07035	70.4
95.04958	9.9
95.08594	28.5
97.06524	17.4
97.10128	2.5
98.25852	1.3
99.08067	4.8
105.07022	14.3
107.04916	2.3
107.08580	34.7
109.02831	1.7
109.06477	3.6
109.10155	8.9
111.08076	8.2
117.07032	10.2
119.08537	5.7
121.06521	3.1
121.10146	19.4
123.08020	3.4
123.11694	4.5
125.09599	2.1
127.07504	1.9
129.06955	2.1
131.08536	12.9
133.10121	16.5
135.07980	3.8
135.11688	13.4
139.11143	1.5
143.08540	2.3
145.10135	2.2
147.04384	2.1
147.11662	3.8
149.09454	2.0
149.13246	45.5
151.11197	2.2
157.10078	3.8
159.11678	27.9
161.13194	3.5
167.14297	2.3
173.13120	2.1
174.31784	1.4
177.12747	18.3
179.14247	3.9
195.13794	14.6
201.70038	1.3
213.14822	2.2
214.27827	1.9
231.38281	1.4
241.04922	1.5
251.16365	1.9
251.20036	3.2
254.05746	3.4
269.04419	5.7
269.08020	7.3
269.17432	72.4
269.22552	5.6
278.71631	1.5
290.00372	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	2.9
53.27999	1.4
55.01856	4.3
55.05511	20.3
57.03190	2.1
57.03436	31.3
57.07070	6.9
65.03909	2.4
67.05502	76.9
67.56942	1.3
67.69241	1.5
69.06727	2.5
69.07066	35.5
71.04985	9.4
71.08606	3.5
72.08121	2.1
73.02900	1.7
73.06570	1.6
79.05491	47.9
81.03400	1.7
81.07056	100.0
83.04980	12.3
83.08146	1.4
83.08612	22.1
85.06515	6.2
91.05480	29.1
93.07039	80.0
95.04969	8.9
95.08044	2.5
95.08604	31.7
97.06532	18.5
97.10161	2.9
99.08057	3.9
105.07024	10.9
107.08588	38.0
109.06508	2.2
109.10114	5.2
111.04433	1.4
111.08075	8.7
113.05998	2.2
115.05494	1.7
117.07008	11.5
119.08534	6.0
121.06489	2.9
121.10134	20.3
123.08072	1.5
123.11684	4.6
123.92116	1.5
128.07991	1.4
131.08572	13.7
133.10135	15.9
135.08031	2.3
135.11705	14.8
136.41304	1.5
137.50729	1.5
139.11182	1.7
141.82460	1.6
147.11646	3.8
149.09583	1.7
149.13251	52.4
151.11151	1.7
157.10133	2.1
159.11688	25.5
160.01733	1.4
161.13246	2.0
166.97827	1.5
167.14381	1.5
173.13281	2.3
177.12741	13.9
195.13776	21.5
199.14670	1.6
207.30742	1.5
223.03809	2.0
251.20061	3.4
269.08044	5.5
269.11359	3.7
269.17432	84.1
269.22226	11.4
270.08856	1.7
270.17892	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	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
53.03934	3.0
55.01859	4.4
55.05508	23.6
57.03433	29.4
57.07074	5.6
57.11511	1.1
65.03928	2.8
67.05502	74.9
69.03419	2.6
69.07064	33.9
71.04978	7.7
71.61646	1.3
73.02882	1.1
79.05489	44.2
81.03405	2.8
81.07053	100.0
83.04984	19.5
83.08142	1.3
83.08614	18.0
85.02892	1.9
85.06528	6.6
91.05480	28.5
93.07038	75.5
95.04971	9.6
95.08607	31.8
95.09219	1.4
97.06524	17.0
97.10157	2.3
99.04459	1.6
99.08096	5.2
100.13108	1.3
105.04507	1.4
105.06390	1.3
105.07030	16.9
107.04923	1.7
107.08589	44.5
109.06518	4.3
109.10154	9.7
110.22006	1.1
111.04415	6.4
111.08092	9.6
111.11707	2.0
111.83434	1.1
113.06005	1.7
113.09647	1.6
114.27488	1.1
117.06998	14.1
119.08572	10.7
121.06492	2.8
121.10135	23.0
123.08052	1.3
123.11700	7.8
125.09595	1.3
127.03860	1.3
128.06187	1.8
129.07001	2.4
131.08553	19.8
133.10133	26.4
135.08049	2.7
135.11700	15.6
137.13194	1.2
142.07787	2.0
143.08553	5.2
145.10098	7.9
147.11644	6.1
149.09586	2.5
149.13248	45.4
151.11176	1.6
153.09180	1.2
157.10107	6.6
159.11682	41.1
161.13255	5.4
165.01765	1.6
167.14204	1.5
169.10091	1.6
170.10876	1.2
171.11662	6.1
173.13232	6.7
175.14810	2.7
177.05385	1.4
177.12724	17.1
179.14290	3.5
183.11624	1.6
185.11691	1.4
185.13237	6.0
187.14752	3.1
195.13803	18.9
199.14890	6.4
202.63098	1.2
211.14771	2.1
213.14621	1.9
213.16508	5.4
215.17821	1.9
225.16618	1.1
226.17236	1.2
227.17906	3.2
251.16554	1.3
251.20041	4.4
269.04385	3.6
269.08121	3.1
269.17480	82.1
269.22577	68.1
270.17883	2.7
270.23001	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	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
53.03929	3.0
55.01852	3.1
55.05266	1.1
55.05507	20.7
56.60408	1.0
57.03433	32.6
57.07082	4.8
65.03926	1.7
67.05500	82.3
69.03413	1.6
69.07063	30.2
70.06599	1.2
71.04991	8.5
71.08616	2.0
78.49446	1.1
79.05485	47.1
81.03411	1.9
81.07049	100.0
82.07358	1.0
83.04959	10.9
83.08133	1.3
83.08607	16.7
85.06544	6.7
91.05470	29.0
93.07036	74.7
95.04959	8.8
95.08601	28.6
97.06523	16.4
97.10150	2.5
98.99957	1.8
99.08066	4.8
100.99647	1.7
105.07018	12.1
107.08586	37.5
109.06500	4.2
109.10143	5.2
111.08075	9.1
113.05956	1.7
113.09618	2.0
115.05437	1.4
115.20074	1.1
117.07018	11.8
119.08558	5.0
121.06471	2.3
121.10128	18.4
123.08094	1.4
123.11730	5.2
131.08553	13.4
133.10117	15.4
135.08015	1.8
135.11687	13.6
139.11136	1.6
141.06927	1.3
147.11646	2.6
149.09511	1.6
149.13246	50.0
151.11118	2.6
153.09041	1.7
157.10088	1.3
159.11670	31.3
161.13268	2.7
167.02065	1.3
167.14265	2.2
169.06433	1.4
171.11682	1.2
177.12720	19.2
179.14311	1.5
185.13252	1.8
195.12013	1.2
195.13765	19.0
203.02574	2.4
204.03317	1.6
206.03062	1.4
213.14795	2.9
231.02121	1.3
232.84427	1.1
233.01782	1.5
268.99442	18.7
269.04279	1.1
269.08054	2.0
269.17441	90.7
269.22467	5.3
270.17877	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	2.5
55.01847	4.6
55.05267	1.7
55.05507	21.2
56.96544	1.3
57.03432	38.0
57.07070	5.5
65.03917	3.1
67.05502	82.5
69.03405	1.3
69.07066	37.3
71.01309	1.4
71.04997	8.6
71.08612	2.5
71.62338	1.7
71.62721	1.5
73.02907	1.6
73.88541	1.2
79.05491	45.9
81.03400	3.8
81.07050	100.0
83.04983	10.7
83.08614	21.4
85.06554	8.5
91.05473	22.3
93.07040	79.6
95.04967	7.4
95.08601	33.7
95.09191	0.7
97.06516	17.7
97.10134	3.6
99.04433	1.8
99.08066	5.0
105.06499	1.1
105.07023	12.5
107.04934	2.3
107.08591	43.3
109.06499	5.1
109.10155	6.5
111.04433	1.7
111.08074	12.3
113.06033	1.4
113.09598	2.8
117.06999	10.4
119.08586	7.0
121.09312	2.0
121.10133	27.4
123.04438	1.3
123.08008	2.8
123.11678	4.2
125.09563	2.0
128.06181	1.6
129.06976	1.7
131.08563	11.1
133.10117	12.7
135.08035	3.2
135.11671	13.8
139.11108	1.7
143.08495	2.4
145.10078	4.4
147.11641	3.4
149.09682	1.7
149.13254	56.2
151.11108	1.3
152.88283	1.1
153.09019	2.3
153.77899	1.3
155.08563	1.8
157.10077	3.3
159.10437	1.9
159.11684	26.4
167.14246	1.8
169.10106	2.0
171.11638	2.9
173.13242	2.8
177.12717	10.9
181.06474	1.5
181.10034	1.4
185.13196	2.5
187.14819	1.5
195.12016	1.4
195.13809	20.4
199.14812	2.5
211.14838	1.3
213.14699	1.8
213.16461	1.8
215.17918	2.1
227.17892	1.5
243.72659	1.5
248.59401	1.3
251.20004	3.0
269.04376	4.4
269.07971	4.8
269.11121	2.1
269.17404	70.9
269.22049	11.9
270.17755	1.7
286.64731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03927	2.0
55.01854	4.5
55.05265	1.7
55.05507	24.1
57.03430	30.3
57.07056	5.0
59.06025	1.3
64.20011	1.7
65.03922	2.6
67.05497	80.8
68.52330	1.6
69.03407	2.3
69.06718	2.1
69.07063	31.0
69.67191	3.7
69.67598	8.1
71.04964	5.5
71.08620	1.5
74.22890	1.4
79.05482	43.7
79.53699	1.8
81.03385	2.0
81.07048	100.0
83.04962	13.4
83.08611	20.0
85.06518	6.0
89.77061	1.3
91.05464	26.9
93.07030	72.2
95.04946	8.3
95.08592	29.5
97.02864	2.0
97.06520	16.3
97.10168	3.2
99.08054	4.4
103.15025	1.7
105.07013	14.3
107.04975	1.5
107.08586	34.3
109.06503	5.2
109.10126	4.9
111.08062	7.4
117.06992	12.5
119.08537	4.3
121.06548	3.0
121.10137	23.6
122.11259	1.8
123.08043	2.2
123.11658	4.1
124.20270	1.9
128.60507	1.4
129.06972	2.7
131.08543	13.0
131.54756	1.8
133.10129	14.0
134.03497	1.5
135.08008	2.8
135.11667	14.3
139.11128	2.8
143.08475	2.2
145.10112	4.0
147.11693	1.8
147.25777	1.7
149.13245	45.9
151.11087	1.9
157.10205	2.1
159.11674	24.7
161.13245	2.3
171.11661	1.5
173.13181	1.7
177.12750	13.4
185.13252	2.4
195.13773	20.9
212.53268	1.6
213.05411	1.5
251.19847	1.6
269.04327	6.9
269.08347	2.9
269.11594	2.6
269.17410	76.3
269.22507	8.4
269.25098	2.4
270.17566	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	269.1743
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03938	2.9
55.01851	3.9
55.05265	2.0
55.05507	22.5
57.03433	22.1
57.07047	5.4
65.03912	1.3
67.05499	90.8
69.03398	3.1
69.07063	23.5
69.60234	9.8
71.04995	7.1
79.05484	44.8
81.03405	1.5
81.07049	100.0
83.04978	12.8
83.08142	1.3
83.08610	18.1
85.02877	1.2
85.06528	7.7
91.04893	1.7
91.05470	41.8
93.07033	86.9
94.07335	1.7
95.04962	12.0
95.08595	35.8
97.05997	1.7
97.06526	20.6
97.10112	3.3
98.21484	1.4
99.08087	8.9
105.06378	1.4
105.07018	16.4
107.04926	1.3
107.08588	33.8
109.06476	5.6
109.10149	8.9
111.04422	2.4
111.08085	9.9
113.05963	1.7
117.06226	1.2
117.07006	20.1
119.08563	8.4
121.06534	1.6
121.10121	14.8
123.11665	4.2
127.07565	1.3
131.08548	25.3
133.10120	28.3
135.08028	2.9
135.11674	16.8
137.09637	1.2
143.08488	1.4
145.10094	3.3
147.11658	3.7
149.09540	1.5
149.13239	40.8
151.11140	4.5
157.10091	3.9
159.11673	54.3
160.11885	1.3
161.13190	5.8
166.32843	1.5
171.11594	3.1
173.13176	2.4
177.12729	32.8
179.14258	5.0
185.13217	1.5
191.17950	1.6
195.13773	19.8
211.14713	1.2
213.14780	3.8
213.16530	1.5
215.17929	3.0
226.17032	1.8
233.15376	1.8
233.18930	1.4
251.16318	4.1
251.19945	3.3
269.07953	3.2
269.17407	83.5
269.22244	13.2
270.17728	2.0
280.12869	1.1
284.99374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01871	2.1
55.05255	1.6
55.05510	24.8
56.01406	1.6
56.96561	4.9
57.03437	1.7
57.07061	2.5
58.06605	1.1
59.77029	0.9
61.02926	1.6
69.03413	3.8
69.07061	2.5
69.86689	0.8
70.04404	0.8
70.06583	5.0
71.04989	2.5
71.61968	1.6
72.08151	68.4
73.02894	1.3
73.06544	2.1
79.05505	1.8
81.03412	1.1
81.07053	2.2
83.08595	1.3
84.08149	6.5
85.02904	5.9
86.06093	1.2
86.09683	0.9
88.03984	1.9
89.10785	25.1
91.05457	1.9
93.07050	1.9
93.74139	1.3
95.04942	1.0
95.08612	1.8
96.08128	1.7
97.02884	2.6
98.06050	91.1
98.97596	2.0
101.00890	2.7
102.09178	10.0
107.04945	11.2
107.08573	1.9
110.07163	10.1
110.97612	1.1
115.02434	2.5
115.08685	100.0
116.98602	1.0
118.03519	3.0
119.01920	23.7
119.04913	1.1
122.06012	1.1
123.96967	0.8
127.03891	1.1
130.08640	4.3
131.19431	1.0
133.03490	4.8
135.04422	6.0
136.04514	2.2
136.07613	1.6
137.02945	7.2
137.05922	1.2
138.05487	1.6
142.03488	2.1
143.01884	1.2
144.99823	1.9
145.03502	1.1
155.02000	1.1
156.07692	2.6
161.02989	3.5
163.03879	4.6
168.99841	2.4
169.44946	0.9
171.01414	1.3
173.02954	2.0
175.04601	1.1
176.10709	1.4
177.02443	1.4
180.10255	1.1
185.02870	1.4
187.00847	5.2
189.02469	1.5
191.04010	2.2
194.96344	0.9
201.02502	2.7
205.02034	1.2
208.13394	1.0
214.02078	1.4
215.00331	9.0
217.01932	1.4
219.03493	2.1
221.16472	1.2
229.01840	1.0
233.01454	1.9
233.12825	2.6
233.16109	1.0
234.11238	11.1
238.02034	1.5
245.05103	1.2
246.04648	1.4
247.02979	3.9
251.13889	42.4
251.17604	1.9
251.20038	1.4
268.97867	2.9
269.05765	1.3
269.08514	2.6
269.11963	2.1
269.15073	14.6
269.18622	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51230	0.7
53.03940	1.2
55.01867	2.7
55.05510	26.7
56.01377	1.2
56.05036	1.1
56.96552	2.4
57.03435	1.4
57.07071	2.7
58.06598	1.6
59.04986	0.7
60.04528	1.0
61.02916	1.1
63.76276	0.7
64.67778	0.8
67.05508	1.4
69.03418	4.1
69.07079	1.5
70.06590	8.9
71.04981	3.1
71.61717	1.3
71.62094	1.4
72.08152	73.4
73.02896	1.3
73.06561	1.9
73.08484	0.9
74.02438	0.9
79.05507	5.2
81.03407	1.5
81.04510	0.9
81.07048	3.4
82.06561	1.0
83.06104	1.3
84.04494	1.4
84.08138	12.4
85.02913	4.6
86.06065	3.3
86.09716	1.4
87.04459	1.0
88.03989	2.9
89.06055	1.1
89.10788	21.3
91.05466	2.2
93.04536	1.1
93.07026	1.8
95.04953	1.3
95.08598	2.1
96.08130	1.9
97.02884	1.4
97.06528	1.2
98.06051	92.0
98.97601	1.5
100.07629	0.9
101.00881	1.5
102.05534	4.3
102.09180	17.4
105.07024	1.5
107.04950	12.5
107.08596	5.1
108.05387	0.8
109.02924	1.5
109.10155	1.2
110.07166	12.7
110.09666	3.1
111.04440	1.2
112.07602	1.7
114.05515	3.6
114.09166	2.2
115.08685	91.3
118.03473	0.8
118.08594	0.8
119.01917	9.3
119.04912	1.2
119.08557	1.2
121.10121	1.1
122.06013	1.3
122.07159	1.3
123.04463	1.0
124.07555	1.5
125.70198	0.8
126.05501	1.1
127.03912	0.9
130.08650	2.1
133.03470	1.8
133.06506	1.1
134.09659	1.1
135.04410	6.8
136.07568	3.3
136.11227	1.4
137.02962	3.9
138.05508	1.8
138.09149	1.1
138.12695	0.8
140.07086	1.1
145.02815	1.0
148.11180	1.1
150.09097	1.7
152.07086	0.8
154.12305	2.2
156.07695	3.7
160.07567	1.0
161.02975	1.9
162.09128	1.7
163.03882	13.0
164.10690	1.2
166.12277	1.8
168.99905	1.0
173.02922	1.3
176.10703	2.0
180.10193	1.0
185.03055	1.0
187.00830	1.5
190.12279	2.7
192.10172	0.9
192.13699	0.9
194.11787	2.6
201.02498	0.9
202.12267	2.7
205.00166	1.1
205.01895	1.1
206.11806	1.1
208.13435	1.5
209.12959	1.5
215.00351	4.0
220.13493	1.1
221.16501	5.0
223.10887	1.3
223.14220	0.9
233.12865	1.6
233.16428	2.1
234.11278	11.3
238.14224	1.1
247.03033	2.0
248.55267	1.7
251.13890	52.0
251.17586	5.4
252.16040	1.1
253.07687	0.8
269.08466	1.6
269.11777	3.8
269.15100	20.8
269.18616	100.0
276.97305	0.9
292.84412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0806
Annotation	Formononetin
Peak:m/z	Relative Intensity
53.03959	0.3
54.79151	0.2
55.01860	0.3
55.05487	0.9
57.03414	0.9
66.83890	0.2
67.05498	2.8
68.99767	0.9
69.07042	0.7
69.83688	1.2
69.84110	0.4
71.04963	0.2
71.19440	0.3
79.05491	2.0
81.07045	3.4
83.04951	0.4
83.08598	0.6
85.51062	0.3
87.04504	0.2
91.05462	1.1
93.07024	2.4
95.04952	0.5
95.08575	1.0
97.06517	0.6
99.08058	0.3
105.07008	1.0
107.04954	2.2
107.08521	1.4
108.02067	0.5
109.10178	0.3
111.08038	0.4
111.11754	0.2
117.07040	0.5
118.04142	4.2
121.10097	0.6
123.04368	0.9
128.06180	0.3
129.07001	0.4
131.08583	0.6
133.02843	0.5
133.06462	0.7
133.10104	0.8
135.04306	0.3
135.11700	0.5
137.02284	1.8
147.04411	0.3
149.13249	1.7
152.06160	0.3
153.06950	0.6
154.02600	1.9
155.08559	0.4
156.05638	0.9
158.07300	0.3
159.11658	1.2
163.03894	0.3
167.08525	0.4
169.06458	0.5
170.07231	0.6
171.08035	0.3
177.12773	0.5
181.06432	1.1
182.07217	0.7
183.08040	0.3
185.09537	0.4
195.08069	0.6
195.13812	0.7
197.05951	4.0
198.06769	2.0
199.07568	1.4
200.04788	0.2
209.05836	0.3
210.06575	0.3
213.05788	0.4
213.09088	8.1
223.07617	0.3
225.05409	2.0
226.06210	5.5
227.07066	0.5
237.05429	7.9
239.07504	0.3
241.08594	0.9
251.06853	0.3
253.04933	7.4
253.07556	0.4
254.05713	7.2
269.08051	100.0
269.17239	2.7
270.08356	1.4
293.70862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1905
Annotation	Metoprolol
Peak:m/z	Relative Intensity
53.03957	0.7
55.01871	1.7
55.05515	2.2
56.05037	1.7
56.96564	1.7
57.03453	0.9
57.07066	0.8
58.06602	2.4
59.06940	0.6
65.03914	0.8
67.05514	2.3
68.05025	1.2
69.03447	1.8
69.07072	1.4
70.06583	10.4
71.05010	1.5
71.06937	0.7
71.60181	0.9
71.60547	0.8
72.04527	1.7
72.08154	9.7
72.08527	0.9
73.02924	1.1
79.05466	4.5
80.05853	0.8
81.03439	1.7
81.07034	6.3
82.06579	2.3
83.04967	0.8
83.06873	0.7
83.07359	2.5
84.04530	0.9
84.08136	6.0
85.02899	2.5
85.06554	2.3
86.06061	1.1
86.09694	1.5
88.04014	0.6
89.10789	1.2
89.41817	0.5
91.05459	1.5
91.93993	0.5
93.07033	3.9
94.06551	3.0
94.80823	0.6
95.05000	1.3
95.08604	1.7
96.04477	1.5
96.08108	3.5
97.02897	1.2
97.06509	0.7
97.08456	0.9
98.06059	2.6
98.09686	9.8
98.97580	0.9
99.10065	0.8
100.07599	5.0
101.07927	1.7
102.09206	0.7
105.07033	1.7
107.04959	2.3
107.08571	1.2
108.08130	1.0
109.06510	2.5
110.07129	1.4
110.09003	0.6
110.09644	3.4
112.07622	1.4
119.04919	1.3
119.08551	1.3
121.02850	0.7
121.06504	1.1
122.05979	1.1
122.09650	1.4
123.04414	1.5
124.03951	6.6
124.07570	1.2
124.11232	3.4
125.02320	0.7
125.07902	1.1
125.11554	2.5
127.07543	1.6
130.04980	0.7
134.04469	1.1
134.09586	0.9
134.99660	1.0
135.04387	0.7
135.08044	0.8
136.06171	88.2
136.11211	1.4
136.31779	0.6
137.06592	1.1
138.05507	1.2
140.07036	1.4
140.10669	0.9
147.04364	3.9
148.07576	0.8
150.09131	1.3
150.12762	1.0
162.09088	1.2
163.03954	3.1
164.10669	1.4
165.11070	1.2
167.06940	1.2
168.13824	1.2
169.14163	2.0
173.02846	0.6
178.12219	2.4
179.03403	0.8
191.12540	0.7
194.11711	1.5
196.13309	90.0
197.13663	1.2
206.11743	1.0
207.14841	1.4
208.13264	3.0
208.15190	3.7
209.13602	0.6
214.58121	0.6
218.11717	0.8
222.16545	0.8
225.16322	0.6
226.14377	17.6
234.11156	1.1
238.17967	2.3
250.10648	2.1
250.14091	0.6
250.16187	1.1
251.14433	0.7
260.39078	0.6
268.07883	2.1
268.10446	3.6
268.18933	100.0
268.97552	0.7
269.10934	0.9
269.15244	1.2
269.18781	3.0
286.99200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0795
Annotation	Formononetin
Peak:m/z	Relative Intensity
55.01864	0.5
55.05503	1.7
57.03426	0.7
57.07063	0.8
59.04979	0.3
67.05498	4.6
69.03394	0.3
69.07055	2.3
69.82102	1.8
71.04982	0.6
71.08618	0.3
72.08160	0.3
73.86055	0.3
79.05481	2.8
81.03458	0.3
81.07050	7.3
83.04963	0.6
83.08617	1.6
83.85932	0.3
85.06525	1.2
91.05464	2.0
93.07034	4.5
95.04956	0.8
95.08597	3.0
97.02879	0.6
97.06511	1.4
97.10137	0.5
99.08102	0.4
103.05437	0.5
105.03434	0.3
105.07014	1.8
107.04950	3.2
107.08574	2.6
108.02103	0.4
109.06520	0.6
109.10130	1.4
111.04454	0.3
111.08044	0.5
117.06985	0.9
118.04153	5.3
119.04919	0.3
119.08562	0.8
121.06463	0.4
121.10161	1.3
123.04402	0.4
123.11707	0.4
125.09579	0.4
129.06998	0.4
131.04884	0.4
131.08524	1.5
133.02840	0.5
133.06453	0.7
133.10156	1.3
133.11009	0.3
135.07997	0.4
135.11716	1.5
137.02332	1.6
137.05971	0.3
137.13231	0.4
143.08513	0.5
145.10104	0.5
147.04372	0.4
147.11649	0.4
149.13271	2.0
151.11107	0.3
152.06239	0.3
153.06985	0.3
153.09145	0.3
154.02596	2.0
154.06232	0.4
156.05661	0.8
157.06439	0.3
157.10103	0.7
159.11682	2.0
161.13246	0.5
163.03912	0.5
163.07516	0.9
169.06483	0.4
170.07272	1.0
171.11682	0.6
173.13254	0.3
175.14886	0.5
177.12686	0.8
180.07808	1.8
181.06464	1.8
182.07265	0.8
185.09589	0.4
185.13287	0.3
193.08473	0.4
194.76015	0.3
195.08206	0.2
195.10187	1.6
195.13852	0.9
197.05974	3.6
198.06729	1.5
209.06036	0.6
213.09082	8.1
215.17938	0.6
225.05441	2.1
226.06218	6.5
237.05435	8.2
237.07446	0.3
241.08597	0.6
251.20096	1.5
253.04926	8.3
254.05716	9.0
258.05493	0.3
269.08057	100.0
269.17328	2.6
269.22705	1.7
270.08453	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01859	0.5
55.05487	0.7
55.31831	0.2
56.05016	0.2
56.96567	1.1
57.03422	0.7
58.06586	0.4
60.59107	0.2
61.02907	0.4
67.05494	0.5
69.03432	0.9
69.07048	0.3
70.06599	1.8
70.97729	0.2
71.23431	0.4
72.04495	0.7
72.08150	4.2
73.02898	0.3
73.08494	0.2
79.05504	0.4
81.03399	0.3
81.07031	0.6
82.06553	0.2
83.04939	0.2
84.04487	0.3
84.08127	0.9
85.02902	1.4
85.06504	0.2
86.09678	0.5
87.04494	0.2
89.05996	0.2
89.10787	0.6
91.05464	0.5
91.08632	0.2
93.07053	0.3
94.04033	0.2
94.06566	0.2
95.04961	0.5
96.08138	0.2
97.02882	0.6
98.06027	0.8
98.09677	0.6
98.97533	0.4
100.07604	0.5
105.07030	0.4
106.02893	0.4
107.04929	0.7
109.02837	0.3
109.06518	0.3
110.07160	0.3
110.09653	0.3
112.07595	0.3
115.08660	0.2
119.03522	0.4
119.04936	0.7
119.08575	0.3
120.08071	0.2
121.02847	0.2
121.06454	0.2
122.05991	0.3
123.04398	0.5
124.03943	1.6
127.03931	0.3
131.00136	0.2
133.04974	0.2
134.04501	0.2
134.05894	0.2
134.99622	0.4
135.04410	0.4
136.06171	100.0
137.04572	0.5
137.06549	0.4
138.05434	0.3
140.03323	0.2
145.02780	0.2
145.06590	0.2
147.04405	2.2
148.04709	0.5
148.07480	0.2
150.05446	0.2
160.11147	0.2
160.56955	0.2
161.88406	0.2
163.03859	1.4
163.12953	0.2
164.04269	0.2
164.07034	0.2
164.10655	0.2
167.06984	0.3
170.99602	0.2
173.01215	0.2
174.04286	0.2
177.00677	0.3
183.56619	0.2
196.13316	6.0
201.00795	0.2
206.11739	0.2
208.15306	0.6
226.14313	0.9
229.00089	0.5
234.11371	0.4
237.02708	0.3
238.17844	0.3
247.01390	0.2
250.10756	0.9
250.16359	0.2
251.14470	0.4
263.00687	0.4
268.07983	0.3
268.10324	6.7
268.19089	7.9
269.18954	0.2
271.01297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1953
Annotation	(R*,R*)-4-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
52.19435	1.7
53.03939	3.3
55.01873	2.1
55.05508	8.7
57.03433	19.6
57.07051	1.9
59.04993	1.7
60.47904	1.7
62.73299	1.6
67.05504	17.1
67.76949	1.6
67.84625	1.7
69.03444	2.4
69.07053	7.8
70.78658	2.3
70.79015	4.8
71.04960	2.2
79.05486	12.3
81.03416	100.0
81.07053	22.6
83.04966	7.5
83.08620	16.6
83.80477	1.7
85.06547	3.0
91.05477	20.4
93.07053	15.5
95.04962	22.1
95.08607	20.0
97.02868	2.1
97.06531	1.8
97.10142	3.2
98.98444	2.9
105.07033	18.3
107.04948	5.2
107.08581	18.1
109.06503	5.9
109.10146	7.9
111.08075	6.0
119.08576	43.7
121.06460	2.7
121.10131	12.2
123.08047	3.0
123.11639	2.7
127.53415	1.8
129.07011	9.6
131.08556	7.3
133.06453	4.0
133.10133	17.8
135.07909	1.9
135.11693	9.3
137.09569	2.9
139.07526	1.9
142.07761	2.5
145.10095	3.0
147.07991	2.7
147.11679	15.8
149.09627	3.8
153.09151	8.3
157.10083	10.6
161.13220	2.6
165.09166	3.6
165.12732	3.1
167.10721	1.7
175.11165	8.5
179.10625	2.9
188.11290	1.5
189.16377	43.6
189.18094	2.2
193.12244	23.8
207.17462	12.4
211.13254	2.6
231.17444	7.7
249.18465	41.6
267.15909	78.8
267.19464	6.9
268.16025	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	267.1701
Annotation	Practolol
Peak:m/z	Relative Intensity
56.05027	2.4
58.06574	1.3
60.67768	0.5
62.22621	0.5
62.86287	0.5
67.05483	1.4
69.07044	0.6
70.06586	5.6
71.01266	1.4
72.08115	1.8
79.05485	2.4
80.85958	0.6
81.07018	1.5
82.06572	2.6
84.08132	3.9
85.02882	1.5
86.81938	0.5
91.05446	1.9
93.07018	1.8
95.08582	2.1
96.08094	1.3
97.02882	0.6
98.09681	0.6
105.07014	3.6
107.08582	2.6
107.09222	0.4
109.10110	1.0
110.09644	2.6
119.08534	1.6
122.09639	0.7
124.07561	0.8
124.11241	3.2
134.09625	0.7
135.11641	1.6
136.11192	4.5
138.12744	1.4
140.73413	0.5
147.04337	1.0
147.11658	2.3
148.11198	43.9
150.12738	0.9
152.10649	0.5
152.14362	1.1
156.10178	1.0
164.14343	18.1
165.13733	0.7
181.17036	1.4
184.05431	0.5
190.12279	1.0
196.13364	1.2
207.14906	100.0
208.13361	5.5
208.15202	0.7
223.14445	0.9
223.18039	8.7
231.13802	1.0
267.17020	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	267.1701
Annotation	Practolol
Peak:m/z	Relative Intensity
56.05035	4.2
58.06580	2.0
64.99542	0.8
67.05486	2.7
69.03419	0.8
69.07071	1.3
69.42912	6.5
70.06590	11.1
72.08137	3.1
79.05463	4.0
81.07043	2.9
82.06583	4.2
84.08131	7.2
84.12078	0.8
85.02869	1.1
91.05472	3.6
93.07040	4.4
94.06562	2.1
95.08610	4.0
96.08107	2.7
100.07624	1.3
105.07014	5.0
107.08575	4.3
108.08096	1.1
109.02916	0.7
110.09671	6.6
114.03636	0.7
119.08572	2.0
120.04475	1.0
120.08111	0.8
121.10147	1.4
122.09666	2.5
124.07611	1.2
124.11199	6.3
125.86740	0.7
131.08559	1.3
133.10104	1.0
134.09680	0.9
135.11707	3.7
136.11189	5.4
138.12756	2.3
141.80528	0.8
147.04379	2.0
147.11664	5.3
148.11200	57.4
150.12729	2.9
152.10777	0.8
152.14319	4.1
156.10184	1.7
162.12798	2.2
164.14334	36.4
165.13817	1.7
166.12265	1.3
178.12245	0.8
181.16982	2.7
190.12308	1.8
196.13298	1.9
205.16960	1.9
207.14909	88.2
208.13322	15.6
208.15292	1.1
218.11981	0.9
223.18045	18.1
230.06967	0.7
231.13911	0.7
249.16092	3.5
267.17023	100.0
268.17245	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.01018	1.5
53.03926	2.3
55.05499	6.5
57.03431	18.9
57.07079	2.1
62.04521	1.8
67.05494	15.9
69.03417	1.8
69.07047	6.1
71.04988	2.2
71.64475	2.1
76.89475	1.6
79.05478	10.7
81.03415	100.0
81.07051	19.2
83.04967	3.7
83.08627	18.3
91.05486	18.8
93.07046	8.9
95.04961	23.0
95.08598	11.6
97.02876	2.3
97.06496	2.3
97.10158	3.1
98.33907	1.6
98.98447	5.2
105.07028	12.4
107.04932	5.2
107.08576	5.5
109.06505	2.4
109.10184	4.0
111.04412	2.5
111.08088	8.9
119.08566	15.9
121.06498	2.2
121.10118	4.4
123.08036	2.4
123.11695	3.2
129.06989	7.5
131.08568	8.0
133.06488	3.8
133.10094	4.7
142.07806	3.1
142.93660	1.8
147.08015	5.3
147.11670	9.2
149.09627	4.6
157.10106	10.9
158.81554	1.8
165.12692	2.7
169.05342	1.5
169.36488	1.8
175.11148	6.7
182.02408	1.9
189.16385	2.5
193.12222	18.8
207.17429	1.8
211.50342	2.1
249.18578	3.9
267.15894	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1704
Annotation	Practolol
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	1.8
55.05505	7.8
56.05025	3.2
56.96556	6.7
57.03408	2.2
57.07050	1.4
58.06586	3.2
59.04998	1.2
60.04527	0.9
61.02915	2.5
65.03941	1.5
67.05489	3.1
68.05007	1.5
68.99780	4.0
69.03436	5.3
69.07050	2.4
70.02951	1.3
70.06235	1.3
70.06586	14.6
70.86317	1.9
71.04977	1.8
72.08150	45.2
73.02914	1.3
73.06548	1.3
73.08484	1.8
74.06065	0.9
75.53143	0.8
79.05485	2.7
80.05005	1.4
81.03397	2.6
81.04532	2.7
81.07058	6.6
82.06570	3.5
83.04980	1.4
83.08614	1.3
84.04498	1.9
84.08138	20.9
84.96029	1.1
85.02908	7.6
86.06081	1.3
86.09694	4.7
86.77254	0.8
87.04465	1.5
88.03957	0.9
89.10793	5.8
91.05482	5.4
93.07030	3.3
94.06573	4.9
95.04957	2.0
95.08602	3.1
96.08115	2.9
97.02886	4.3
98.06049	7.7
98.09679	13.1
98.97575	4.3
99.04408	1.8
100.07605	8.1
102.05484	1.2
102.09158	1.4
103.12322	1.3
105.07026	3.5
106.02908	1.4
106.06548	1.8
106.07343	1.0
107.04948	4.6
107.08571	1.9
108.04493	0.9
108.08084	2.4
109.02879	2.4
109.06514	1.0
109.10151	2.1
110.06037	1.3
110.07137	1.5
110.09669	8.8
111.04430	1.8
112.05065	1.1
112.07596	1.9
114.09135	1.2
115.08676	2.3
116.98612	3.2
118.05003	1.1
118.08669	2.8
119.04913	6.3
119.08578	1.6
120.04453	8.1
120.08089	1.6
121.02870	2.1
121.06467	2.4
121.10150	1.3
122.06039	4.3
122.07134	20.2
122.09634	1.8
123.04376	1.5
123.07935	2.8
124.03976	5.3
124.07587	1.8
124.08680	2.2
124.11210	4.7
125.05969	1.9
125.11427	1.1
127.03891	2.8
128.98584	0.8
129.10233	1.6
129.98117	0.8
130.06485	1.0
130.08623	1.9
131.04939	1.1
132.08076	1.0
133.01717	1.0
133.02817	1.5
133.06450	1.9
133.08778	0.8
134.03596	1.2
134.05988	2.0
134.09685	1.2
134.99646	2.6
135.04419	1.7
135.11656	1.2
136.06190	1.6
136.07561	1.5
136.11169	1.5
137.02309	1.2
137.05902	2.8
138.05481	1.8
140.07094	1.6
145.02834	1.9
145.05084	1.6
145.10132	2.0
146.03249	1.8
146.04344	3.4
146.99638	2.2
147.04404	27.9
147.11607	1.1
148.04802	1.8
148.07478	1.5
148.11163	4.5
150.05498	38.0
150.09116	2.2
150.12778	4.2
151.03883	1.5
152.07028	1.8
152.10687	1.3
158.99634	1.5
159.07967	0.9
160.07549	1.3
161.01187	1.4
161.05902	1.2
162.05475	2.0
162.09172	1.5
163.03900	5.8
164.07033	1.3
164.10703	2.6
166.08623	1.9
168.06566	1.8
168.10191	3.5
168.13800	4.6
176.10701	3.4
177.00609	1.2
177.05510	2.1
178.05777	2.8
178.08633	3.1
179.03432	5.7
179.05948	2.6
180.10242	1.6
185.13281	1.5
186.09137	2.0
186.13528	1.0
188.10553	0.8
188.96980	1.5
189.12727	0.9
190.12318	2.9
195.14891	2.6
196.09715	4.9
203.14323	2.3
204.10202	5.4
207.14888	10.6
208.13315	1.6
218.11766	6.0
222.11195	1.3
225.12306	10.1
231.13820	3.0
232.09610	1.5
232.13943	1.5
234.11249	1.8
235.14375	2.2
236.12808	1.8
242.62465	1.1
245.03493	0.9
249.12285	2.0
249.16039	22.2
249.18568	1.8
250.10696	4.1
250.14812	1.0
251.13795	1.6
267.09943	4.2
267.13461	7.4
267.17007	100.0
267.20544	42.7
267.58600	1.0
268.08124	1.9
268.11841	2.5
268.17441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Grangolide
Peak:m/z	Relative Intensity
52.50877	2.6
53.03926	7.2
55.01855	3.8
55.05506	36.0
57.03433	35.4
57.07061	4.3
65.03943	3.6
67.05500	68.6
69.03425	6.4
69.07061	28.1
71.04979	10.3
71.63446	3.5
79.05051	5.3
79.05485	73.8
81.02976	3.8
81.03413	52.2
81.07052	71.0
83.04974	52.2
83.08622	13.9
85.06525	8.5
91.05473	100.0
93.07037	53.4
93.11304	2.4
95.04962	34.4
95.08604	36.5
97.02866	7.8
97.06510	7.3
97.10165	4.9
98.60691	2.4
99.04408	3.9
99.08089	6.5
100.07624	3.8
101.05963	2.8
103.05435	3.9
105.03374	9.5
105.07022	66.0
106.77438	2.5
107.04945	17.1
107.08630	15.7
109.02866	7.8
109.06518	9.4
109.10169	13.5
110.03193	3.0
111.04414	4.9
111.08064	7.8
117.07017	7.0
119.08576	43.0
121.06530	5.7
121.10096	15.6
123.04351	3.6
123.08084	4.5
123.11707	7.6
125.09575	4.1
127.07574	4.5
128.06245	4.1
129.07011	22.4
131.08565	26.3
133.10123	48.7
134.11980	2.6
135.11707	7.6
137.09612	3.6
138.87788	2.8
142.07750	4.1
143.08540	5.9
145.10126	8.7
147.08029	5.1
147.11670	31.8
149.09680	5.4
149.13232	3.8
157.10150	28.4
159.08026	4.4
159.11681	3.3
161.09583	4.2
163.11182	6.7
165.12796	3.5
175.11171	22.8
189.09192	2.9
193.06715	2.8
193.08630	4.6
193.12192	22.2
205.12003	3.2
211.07431	3.0
211.14903	5.2
231.13776	8.6
249.11186	9.5
249.14873	4.6
249.18517	6.6
267.06271	3.0
267.10132	5.3
267.15848	82.0
267.21097	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	267.1589
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03936	8.4
55.01857	5.2
55.05511	28.2
57.03434	35.6
65.03920	5.5
66.31577	1.6
67.05502	84.3
68.86343	1.6
69.03411	2.5
69.07062	20.2
69.89249	10.3
71.04980	5.4
72.29890	1.6
73.06547	2.3
73.18756	1.7
78.21950	1.7
79.05490	82.9
81.03417	37.4
81.07052	76.2
83.04978	55.0
83.08611	10.6
85.02886	2.0
85.06521	5.2
91.05474	100.0
93.06467	2.6
93.07041	51.3
95.04366	1.8
95.04967	30.6
95.08607	32.6
97.02891	3.6
97.06520	9.0
99.08072	4.1
103.05439	2.0
105.03379	2.7
105.07027	65.4
107.04941	19.5
107.08592	14.2
109.02862	12.1
109.06502	9.4
109.10146	4.7
110.03263	3.9
111.08082	4.6
113.06017	2.5
114.49470	1.6
115.05430	5.4
117.07032	5.5
119.04920	1.7
119.08577	40.6
121.06492	3.1
121.10149	10.1
123.08069	3.4
123.11675	3.2
127.07536	4.8
129.07002	22.8
131.08562	23.8
133.06499	3.1
133.10126	59.0
135.11678	4.9
137.09625	2.4
142.07747	3.9
145.10115	7.4
147.08026	7.7
147.11681	37.1
149.09604	7.4
157.08919	3.0
157.10120	31.1
159.11684	2.2
161.13316	2.5
163.11134	4.8
165.12750	4.3
169.10182	2.2
175.11176	22.2
185.13258	2.4
193.12230	17.4
231.13889	3.9
231.17435	2.1
232.14096	2.8
236.95856	2.4
249.11107	2.0
249.14731	2.3
267.06433	2.4
267.15894	66.4
283.44730	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	266.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52764	0.3
59.04979	0.6
60.93776	0.2
61.02927	1.4
70.60452	1.1
71.04997	2.0
79.05475	0.6
81.03413	0.3
81.07046	3.6
87.08107	0.3
94.04063	0.8
98.97610	0.4
102.85977	0.3
109.02861	0.9
117.03366	0.6
117.84146	0.3
119.03554	1.3
121.02848	0.6
136.06174	100.0
137.04579	2.0
137.06535	0.6
142.21640	0.3
142.98087	0.3
145.02823	1.1
148.07347	0.2
160.11313	0.3
163.03952	0.3
177.05482	2.0
234.13487	18.2
254.04465	0.5
266.16098	57.3
267.16382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.6
56.05019	2.4
58.06613	1.7
59.80193	1.1
63.43531	1.0
67.05489	2.9
68.05022	1.6
69.05803	6.7
70.06590	45.9
70.87428	1.9
70.87790	2.4
72.08150	100.0
73.06581	1.2
74.06076	8.0
77.03912	1.5
79.05504	2.7
81.07034	2.3
84.04505	2.3
84.08118	2.0
86.09693	2.5
89.10783	15.8
91.05473	3.4
95.04948	5.3
95.08617	1.3
97.34620	1.0
98.06047	12.1
98.09676	1.8
99.06842	1.4
100.07619	2.1
105.03385	4.5
105.07001	1.8
107.04951	17.9
109.02918	1.8
109.07637	1.1
112.07605	1.8
114.09173	2.4
115.08640	4.9
117.03286	1.0
118.04157	1.7
119.04949	4.5
119.08526	1.4
120.05719	2.1
120.08099	4.6
121.02828	1.5
122.06021	1.9
123.04432	7.2
126.65960	1.1
127.08642	7.6
130.08615	1.8
133.02852	17.5
133.06543	1.3
134.03596	4.2
134.06009	2.1
135.04355	6.5
136.03952	2.1
137.02390	1.0
137.06015	1.5
138.09109	2.1
146.03641	3.6
147.04404	25.0
150.05440	1.1
151.03882	9.5
152.07066	1.5
161.02335	5.9
162.03128	1.7
162.05539	5.7
163.03871	3.5
166.08681	1.7
176.10744	2.7
178.05013	6.2
179.03397	11.9
186.09233	1.9
188.10632	1.2
189.61150	1.1
190.08563	2.5
192.10208	1.4
194.11977	1.0
203.12076	1.2
204.10190	5.1
204.70290	1.1
205.10739	2.0
206.11826	1.0
207.11302	4.5
207.14981	3.6
216.10191	1.8
217.10966	4.4
221.12871	3.2
222.11195	4.6
231.11543	1.3
232.09673	7.1
232.11815	1.8
233.12779	2.6
234.13605	7.5
235.14323	3.9
239.13815	1.7
249.12387	7.1
249.16096	1.2
250.10696	11.0
267.13400	31.5
267.17004	7.5
267.20691	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	266.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.7
64.65100	0.3
69.03412	0.4
69.68085	1.3
69.68504	0.8
70.06589	0.6
72.08150	8.9
81.03416	1.8
81.07032	0.5
84.08141	0.3
89.03912	4.3
90.09184	1.0
91.05495	0.9
93.07063	0.4
93.22489	0.3
95.04935	0.3
95.08585	0.3
97.02882	0.4
98.21559	0.4
105.07024	0.6
105.39458	0.3
106.04177	0.3
107.04969	0.4
108.04440	0.3
109.02872	7.1
116.98649	0.4
117.03374	18.7
119.04958	0.3
119.08627	0.3
122.07146	0.5
124.11244	0.3
131.08583	0.3
134.03677	0.7
135.04414	1.5
143.08479	0.4
145.02835	51.6
145.10120	0.4
146.03188	0.7
149.05983	6.4
159.11609	0.3
163.03915	0.5
177.05458	100.0
178.05835	1.8
185.13275	0.8
186.05470	1.7
189.12708	0.6
193.69731	0.3
203.14346	0.4
231.13800	1.6
248.13510	0.3
249.14760	0.6
266.10382	0.6
266.13818	3.1
266.19287	0.6
273.42999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.6
60.04518	10.9
65.03929	1.3
70.02940	1.6
70.06589	0.7
70.60631	2.1
71.48165	0.5
79.93285	0.5
81.03384	1.3
88.03984	62.5
91.05473	85.8
96.41847	0.5
102.05534	100.0
109.02875	7.7
130.05002	2.4
131.97545	0.5
146.06023	2.6
147.18716	0.5
148.06035	68.1
206.08163	3.8
220.09671	11.4
234.07518	2.6
248.09145	3.6
266.10236	4.1
266.19598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
69.60923	3.0
69.88745	0.3
70.06586	0.7
72.08153	6.5
81.03409	1.3
81.07034	1.0
84.04501	1.3
86.06027	0.5
88.92115	0.4
89.03910	3.7
90.09204	2.0
91.05465	1.4
93.07027	0.5
93.21353	0.3
93.66833	0.4
95.78403	0.3
96.08173	0.4
98.60661	0.3
98.97572	0.6
100.11235	0.5
102.05545	0.4
103.05491	0.4
105.07037	0.4
107.08578	0.4
109.02878	5.2
117.03371	19.3
118.03693	0.4
119.04906	0.4
121.06466	0.5
122.07148	0.7
124.11202	0.7
127.08746	0.3
130.05013	0.9
134.03622	1.3
135.04393	1.5
136.06177	12.2
143.08533	0.6
145.02835	52.2
145.10101	0.8
146.03227	0.7
146.08081	0.5
147.04387	0.8
149.05969	7.7
152.06902	0.4
157.10132	0.6
159.11673	0.6
163.03899	0.7
177.05460	100.0
178.05872	2.2
185.13243	0.9
186.05484	1.0
224.14702	0.5
231.13792	1.1
234.13472	2.7
249.14859	0.7
255.07382	0.4
266.09909	0.7
266.13739	1.4
266.16071	7.2
266.19308	1.4
273.68158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
51.47389	1.9
54.22836	1.7
55.05501	9.5
57.07061	10.2
57.10119	1.7
58.65258	1.6
67.05500	84.4
69.07050	8.7
69.61714	13.9
70.06577	4.2
73.03429	1.8
79.05490	14.2
81.07051	100.0
82.93555	1.8
83.08607	5.6
85.06528	3.6
91.05470	6.7
93.07026	13.4
95.04933	2.7
95.08601	80.7
96.08122	21.0
97.06491	3.2
97.10167	3.4
98.09677	14.5
101.06401	1.8
105.07011	5.4
107.08579	9.8
109.10143	56.8
110.09699	3.4
117.06968	2.7
119.08537	5.5
121.10127	9.1
122.09702	2.3
123.08025	2.3
123.11692	25.5
124.07594	20.5
124.10363	4.3
124.11222	70.7
131.08562	5.5
132.10197	3.8
133.10118	4.5
135.11699	5.7
137.05998	2.0
137.13219	7.1
142.12262	4.1
145.06534	2.0
145.10152	3.3
147.11697	3.5
149.13260	4.9
150.09140	6.8
159.11722	2.7
162.09071	2.9
164.10776	2.9
173.13251	4.1
180.10246	9.4
195.13722	2.0
209.15228	2.9
223.16798	3.7
235.18034	5.4
247.20557	2.4
256.26309	6.6
265.19046	41.1
265.21677	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80836	0.1
56.96559	0.1
71.60424	0.1
75.80440	0.1
82.99880	0.2
84.62171	0.1
90.35740	0.1
93.07049	0.1
96.08130	0.1
100.49218	0.1
101.00878	0.9
116.98692	0.2
119.01913	9.4
122.97815	0.2
134.99890	0.5
137.02948	3.8
140.37503	0.1
140.98796	0.2
142.03474	0.2
153.00946	0.6
158.99840	0.7
160.04536	0.1
165.99687	0.3
175.03003	0.2
177.00943	20.0
178.01059	0.6
179.01260	0.1
182.99747	0.5
185.13196	0.2
193.04079	0.5
193.05656	0.1
195.01965	0.6
200.02522	0.5
201.00867	1.1
201.02512	0.2
202.01009	0.1
217.04077	2.8
218.03703	0.1
219.01991	24.4
220.02119	1.4
221.02063	0.3
224.00217	0.1
225.00816	2.0
227.99762	0.2
231.13817	0.2
240.05602	0.1
242.03564	0.9
243.01942	6.3
244.02223	0.2
249.14818	0.2
260.04614	0.2
261.03043	100.0
262.03189	3.0
263.03571	0.5
266.03513	0.6
275.04568	0.2
284.04660	5.4
285.04840	0.2
289.06201	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	265.216
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03949	2.2
55.01870	3.4
55.05510	15.4
57.03429	26.0
57.07047	6.9
63.59129	2.3
67.05497	40.4
69.07052	16.3
70.82412	4.7
70.82832	4.7
71.08616	5.3
78.61698	2.2
79.05481	30.6
79.73089	2.5
80.05741	2.6
81.07047	60.7
83.05003	2.7
83.08601	11.7
84.08101	3.6
85.06531	9.4
91.05460	23.0
93.07034	34.4
93.26470	2.3
95.04953	7.3
95.08600	54.5
96.08123	38.9
97.06522	6.8
97.10146	4.6
98.09678	17.4
99.08070	4.6
100.07598	3.2
105.07028	16.6
107.08572	18.7
109.10166	16.5
110.09682	4.2
111.08063	6.9
117.06997	6.9
119.08562	12.7
121.10117	16.1
123.08087	3.2
123.11695	5.2
124.07584	33.4
124.11217	100.0
125.05971	10.6
129.06989	3.1
131.08548	7.7
133.10121	12.7
135.11673	10.5
142.12276	8.4
145.06462	2.9
145.10104	8.5
147.11652	8.2
149.13251	7.9
150.09134	17.0
151.11142	2.7
159.11639	5.9
161.09616	3.1
161.13220	3.6
163.14809	4.3
164.10680	3.7
173.05920	3.0
173.13246	5.3
175.14822	16.8
177.05515	4.5
177.09047	2.8
180.10219	13.7
187.14789	5.2
193.15860	4.4
209.13493	2.7
216.13664	2.7
223.14369	3.1
229.19496	7.5
235.17943	5.3
247.13094	4.1
247.18118	4.8
247.20593	9.5
265.14783	4.4
265.19028	77.7
265.21686	16.3
266.93268	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	265.1909
Annotation	(-)-6alpha-Hydroxylupanine
Peak:m/z	Relative Intensity
54.03421	0.6
55.01865	1.9
55.05494	2.8
55.50031	0.6
58.06583	1.3
62.18343	0.6
70.06561	2.9
70.56231	2.4
72.08156	6.5
79.05483	5.2
80.77576	0.6
81.07051	6.4
82.78824	0.7
84.08139	6.0
86.09712	1.6
89.10812	0.7
91.05462	1.9
93.07032	3.1
94.06534	1.1
96.08125	23.5
97.06533	0.9
98.06026	2.0
98.09081	1.3
98.09685	15.3
100.07595	1.1
104.99432	0.7
105.07000	1.1
108.08125	0.8
110.09665	10.5
112.07603	1.4
117.03323	1.1
119.08562	1.6
120.08082	1.4
122.07130	2.4
122.09682	1.8
124.07587	25.0
124.11219	64.2
125.05962	1.0
125.11552	1.0
133.08910	0.7
134.09599	1.2
136.11232	1.9
138.09143	5.3
140.10696	2.3
142.12283	5.0
145.02827	4.6
147.04427	3.8
148.04738	1.2
148.11188	1.7
149.05928	0.7
150.09128	13.3
150.12741	2.3
154.12263	1.8
160.11302	0.8
162.09120	4.5
163.03900	3.0
164.04167	1.0
164.10706	8.3
168.13774	2.8
174.09178	0.8
174.12766	0.8
176.10663	1.8
176.68700	0.8
177.05467	8.7
180.10176	10.0
188.14337	1.7
193.13370	0.8
194.11710	2.1
195.14903	2.0
202.12244	5.3
204.13818	8.4
206.15393	1.1
216.13832	8.6
223.14400	6.5
234.14786	4.1
235.11452	0.8
235.17979	7.7
247.18037	20.8
248.08926	0.7
248.18573	0.7
263.03665	0.7
265.15759	3.4
265.19092	100.0
266.19394	2.8
278.17386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1909
Annotation	N-Hydroxynitraramine
Peak:m/z	Relative Intensity
53.03931	0.3
55.01870	0.4
58.06577	0.3
60.70080	0.3
67.05502	1.8
68.04993	0.6
70.06583	5.9
71.16573	0.4
71.16904	0.3
79.05058	0.3
79.05486	4.2
81.07033	0.7
82.06563	0.6
83.04949	0.2
84.08124	1.2
86.06059	2.6
91.05453	0.6
93.07037	5.6
94.06537	0.4
95.04945	0.4
95.07304	0.6
96.08101	0.5
98.06042	1.2
98.09675	0.3
105.07009	0.4
108.08108	2.3
110.09669	6.1
114.05512	2.3
117.03340	0.5
121.10126	1.6
122.07074	0.3
124.07531	0.3
126.05503	0.4
129.90791	0.2
136.11183	0.4
145.02820	1.5
150.12787	1.5
152.10683	0.4
152.14311	1.3
163.03899	0.3
164.10699	14.3
165.11047	0.3
166.08612	0.3
177.05463	3.6
182.11713	0.9
195.14906	0.4
223.14389	69.6
224.14728	1.7
240.71049	0.2
251.97820	0.2
265.19080	100.0
266.19424	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	265.1908
Annotation	(-)-13alpha-Hydroxy-4-oxosparteine
Peak:m/z	Relative Intensity
55.05497	1.2
58.06599	0.6
61.02893	0.6
65.88608	0.4
70.06572	1.6
70.93014	0.9
71.61880	0.5
71.78326	0.4
72.08146	2.6
77.38761	0.3
79.05477	1.3
81.04524	0.5
81.07062	2.5
82.06570	0.7
84.08112	1.4
86.09705	0.9
89.10759	0.6
93.07040	0.6
96.08121	8.8
98.09687	13.6
98.97498	0.5
100.07607	0.6
108.08156	0.4
110.09668	0.4
112.07590	4.8
114.09142	0.6
117.03343	0.5
119.04945	0.5
122.07140	3.9
124.07595	6.5
124.11218	19.7
134.09616	1.5
136.11192	0.8
138.09076	0.5
142.12245	1.9
144.04726	1.3
145.02863	3.0
147.04390	3.0
148.04741	0.5
148.11215	2.6
150.09151	4.0
150.12753	1.1
154.75148	0.4
155.04607	1.2
155.41634	0.4
162.09111	0.6
163.03918	1.9
164.05194	0.7
164.10701	0.8
165.11288	0.4
166.12196	0.5
177.00726	0.5
177.05463	6.2
180.10208	2.7
204.13795	0.5
218.11812	0.9
220.06001	0.5
223.14349	1.1
229.16891	0.5
235.18019	1.7
245.16420	0.6
247.18036	50.7
248.12840	0.9
248.18391	1.7
258.95038	0.4
265.19086	100.0
266.19516	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	265.1909
Annotation	N-Hydroxynitraramine
Peak:m/z	Relative Intensity
55.01865	0.7
55.05508	2.4
62.00353	0.5
70.03932	3.2
70.06582	2.4
72.08163	1.0
79.05492	4.8
81.05805	0.6
81.07051	8.4
82.06567	0.6
84.08121	1.8
86.09705	1.9
91.05453	0.6
93.07022	0.8
94.06596	0.6
96.08123	33.3
98.06033	0.8
98.09686	16.1
98.21442	0.8
100.07609	1.9
102.44201	0.6
110.09676	0.8
122.07133	1.4
122.09612	1.4
124.07590	35.6
124.11221	100.0
125.07911	0.5
125.11527	1.7
136.11218	0.9
138.09076	0.8
142.12259	9.8
145.02904	0.9
148.11076	0.7
150.07941	1.3
150.09135	21.4
150.12741	1.4
154.12259	1.4
162.09148	2.4
164.10709	2.0
167.32404	0.6
177.05453	1.7
177.90323	0.5
180.10194	15.2
181.08887	0.5
181.10524	0.8
181.89803	0.5
193.13257	0.9
204.13872	1.6
216.13799	1.8
223.14423	3.0
235.18021	7.4
247.18033	10.8
265.19098	90.3
266.19559	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	265.1909
Annotation	N-Hydroxynitraramine
Peak:m/z	Relative Intensity
53.03949	0.5
55.01892	0.6
55.05505	2.6
58.68661	0.4
68.05013	0.8
69.97015	2.8
70.06575	2.7
72.08152	17.7
79.05489	4.9
81.07049	9.6
82.06607	0.9
84.08140	1.9
86.09711	2.1
89.03907	3.4
89.10792	11.9
93.07051	1.3
95.04938	0.7
95.08620	1.2
96.08125	33.9
98.06043	1.5
98.09693	14.1
98.97569	0.9
100.07616	1.7
109.08952	0.5
110.09690	2.0
112.11250	1.0
115.08691	1.9
117.03368	13.6
122.07127	1.4
122.09663	1.4
124.07589	34.4
124.11221	86.5
125.11559	1.5
134.03638	1.4
135.04445	0.9
136.11174	0.9
138.09143	0.8
142.12267	9.1
145.02838	50.9
146.03204	1.1
147.04370	0.8
149.05969	5.3
150.09132	20.1
150.10327	1.1
150.12776	2.1
154.12227	1.3
162.09169	2.9
163.03900	1.7
164.10703	2.1
165.20764	0.5
177.05457	100.0
178.05847	3.1
180.10193	13.3
187.11292	0.7
194.11732	0.5
204.13838	1.3
206.11682	0.6
216.13857	1.0
222.06969	0.6
223.14415	1.7
234.15051	0.7
235.18054	5.7
247.11456	0.6
247.18031	5.0
248.12822	5.9
265.15466	22.9
265.19064	59.9
266.15622	0.8
266.19543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1909
Annotation	(-)-6alpha-Hydroxylupanine
Peak:m/z	Relative Intensity
52.11893	0.6
53.03934	0.7
55.01869	1.0
55.05505	4.3
56.05030	1.3
56.96566	1.0
57.03436	0.8
58.06574	0.6
67.05470	0.9
68.05008	0.8
69.03415	1.2
69.07036	0.7
70.06578	4.0
71.05001	0.7
71.13932	0.6
71.14261	0.9
72.08157	5.2
79.05489	8.1
79.68125	0.6
80.05000	0.6
81.07047	12.2
82.06566	2.3
82.22686	0.5
84.08136	3.5
84.62551	0.5
85.02893	1.8
86.06044	1.0
86.09698	6.8
91.05479	1.1
93.07034	2.5
94.06548	1.4
95.08593	1.1
96.08120	38.0
97.06504	0.8
98.06057	1.4
98.09683	32.6
98.97561	2.6
99.04443	0.6
100.07597	2.5
103.12310	4.6
105.07053	1.0
106.06566	0.7
107.04917	0.7
108.08092	1.3
109.08876	1.0
110.09664	4.8
110.94376	0.6
112.07580	2.2
114.09200	0.6
114.75582	0.6
116.98622	1.1
117.03352	2.1
119.08526	0.8
120.08051	1.0
121.01646	0.8
122.07149	1.1
122.09679	2.1
124.07581	29.2
124.11214	94.5
125.05991	1.1
125.11550	0.8
134.09624	1.9
135.04399	1.8
135.08157	0.7
136.11189	2.1
138.09126	2.8
142.12262	6.9
145.02797	5.2
145.10040	0.8
147.04393	0.7
148.11166	2.3
150.09131	15.9
150.12752	2.1
154.12302	1.2
161.02975	0.5
162.09160	4.8
163.02711	1.3
163.03893	12.0
164.10724	3.7
166.25572	0.6
174.09125	0.7
174.78455	0.7
175.02721	1.0
176.10707	1.3
177.05461	6.9
180.10176	16.9
188.14270	0.9
192.10318	0.6
195.15074	0.8
204.13814	3.6
216.05779	0.6
216.13828	2.6
218.11798	0.6
223.14365	2.9
229.13217	0.8
234.14908	1.6
235.18011	5.6
247.18047	23.1
248.12817	1.1
265.01404	0.7
265.15533	9.9
265.19083	100.0
266.19431	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	265.1909
Annotation	N-Hydroxynitraramine
Peak:m/z	Relative Intensity
55.01861	1.0
55.05492	1.5
55.31848	0.7
62.40682	0.6
67.05519	0.9
67.39409	0.7
69.35225	0.8
70.06590	2.9
70.68806	2.7
71.04964	0.7
72.08156	6.5
76.44528	0.6
79.05486	2.8
79.98910	0.7
81.07047	3.1
82.06567	1.2
84.08134	1.7
86.09691	1.6
89.10806	0.7
93.07038	0.6
94.06551	1.3
96.08124	21.4
97.08587	0.7
98.06039	1.8
98.09682	9.8
98.20882	0.8
102.14683	0.7
106.06547	0.9
107.08581	0.7
108.08118	1.2
110.09676	2.3
112.07591	1.0
117.03366	1.6
119.04903	1.2
120.08059	0.9
122.07128	1.3
122.09646	2.1
124.07586	14.9
124.11223	26.1
126.01159	0.7
132.08156	0.7
134.09630	1.8
136.07581	1.2
136.11247	0.8
142.12207	1.6
145.02831	6.3
147.04393	3.6
148.04698	1.3
148.07599	1.1
148.11276	0.8
150.09134	33.7
152.10721	1.0
154.12268	1.4
162.09143	8.6
163.03894	1.7
164.10713	2.9
176.10658	1.7
177.05481	9.0
177.66716	0.7
180.10193	38.5
204.13904	1.1
205.13348	2.1
218.11661	1.1
223.14474	1.6
235.18018	2.1
247.18016	5.5
248.12970	0.9
265.19104	100.0
266.19415	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	265.1797
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
55.01854	1.5
55.05517	3.3
57.07063	1.3
59.04991	0.7
64.84942	0.5
67.05222	0.5
67.05501	4.8
69.03407	1.0
69.07067	5.2
70.06573	0.9
71.04964	1.4
71.08583	0.6
71.62476	0.7
72.08131	1.0
73.28829	0.5
79.05131	0.4
79.05496	4.5
81.03396	1.1
81.06644	0.6
81.07050	8.2
83.04984	1.0
83.08627	2.9
84.08126	0.6
85.02872	0.5
85.06555	2.5
86.09716	0.7
91.05476	6.1
93.07034	7.7
95.04945	1.4
95.08049	0.8
95.08603	12.1
96.08127	3.6
97.06511	1.7
97.10132	0.8
98.09681	2.1
99.04423	0.8
99.08073	1.3
103.05410	0.9
105.07031	7.6
107.04926	1.5
107.08593	9.5
109.02857	2.8
109.06496	1.9
109.10149	6.2
111.04420	2.1
111.08064	2.4
115.05416	1.7
117.03341	0.8
117.07018	4.1
119.08572	16.6
121.02847	1.6
121.06531	2.6
121.10151	7.3
122.07156	4.5
123.08051	1.4
123.11672	1.8
124.07599	3.1
124.11224	9.1
125.05979	0.7
125.09577	0.9
128.06190	0.5
129.06950	1.5
131.04918	0.6
131.08569	6.0
133.06499	1.0
133.10130	20.9
135.08049	3.1
135.11684	4.3
137.05948	0.8
137.09584	1.8
139.07544	1.3
141.06927	0.8
142.07710	0.6
142.12234	0.8
143.08530	1.4
144.04753	0.7
145.02869	2.7
145.06476	4.6
145.10118	9.1
147.07985	1.6
147.11682	5.5
149.09573	2.9
149.13225	1.4
150.09113	2.0
151.07518	0.9
151.11099	0.8
153.09087	1.2
155.08575	0.6
156.05612	0.7
157.10100	1.5
159.08041	2.4
159.11684	5.9
161.09605	5.5
161.13210	2.7
163.07500	1.8
163.11159	1.8
164.10664	0.7
165.09181	0.8
167.06963	1.7
169.10034	1.0
173.05991	4.6
173.09613	1.6
173.13239	1.6
175.07532	0.8
175.11118	2.2
175.14819	0.8
177.05455	4.4
177.09073	2.2
177.12643	1.3
177.16350	1.1
179.10721	2.8
179.11934	0.5
180.10143	0.5
181.10020	0.7
183.11671	1.0
185.13274	0.8
187.07556	1.1
187.11145	2.0
187.14839	3.7
189.08974	0.7
190.06183	1.7
191.06918	0.8
191.10667	1.7
191.17932	0.8
201.12697	1.0
201.16344	5.2
203.07092	1.2
203.14412	0.6
203.17903	2.0
205.08578	4.4
205.12097	1.4
205.15944	0.5
211.14845	1.3
217.08534	2.2
219.13713	1.4
219.17432	2.2
223.14517	1.0
229.12219	1.0
229.15895	3.1
235.09578	0.7
247.09663	1.4
247.13129	0.8
247.16904	7.2
247.24217	0.6
265.17938	100.0
266.18204	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	265.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
55.05517	3.3
57.07063	1.3
59.04991	0.7
64.84942	0.5
67.05222	0.5
67.05501	4.8
69.03407	1.0
69.07067	5.2
70.06573	0.9
71.04964	1.4
71.08583	0.6
71.62476	0.7
72.08131	1.0
73.28829	0.5
79.05131	0.4
79.05496	4.5
81.03396	1.1
81.06644	0.6
81.07050	8.2
83.04984	1.0
83.08627	2.9
84.08126	0.6
85.02872	0.5
85.06555	2.5
86.09716	0.7
91.05476	6.1
93.07034	7.7
95.04945	1.4
95.08049	0.8
95.08603	12.1
96.08127	3.6
97.06511	1.7
97.10132	0.8
98.09681	2.1
99.04423	0.8
99.08073	1.3
103.05410	0.9
105.07031	7.6
107.04926	1.5
107.08593	9.5
109.02857	2.8
109.06496	1.9
109.10149	6.2
111.04420	2.1
111.08064	2.4
115.05416	1.7
117.03341	0.8
117.07018	4.1
119.08572	16.6
121.02847	1.6
121.06531	2.6
121.10151	7.3
122.07156	4.5
123.08051	1.4
123.11672	1.8
124.07599	3.1
124.11224	9.1
125.05979	0.7
125.09577	0.9
128.06190	0.5
129.06950	1.5
131.04918	0.6
131.08569	6.0
133.06499	1.0
133.10130	20.9
135.08049	3.1
135.11684	4.3
137.05948	0.8
137.09584	1.8
139.07544	1.3
141.06927	0.8
142.07710	0.6
142.12234	0.8
143.08530	1.4
144.04753	0.7
145.02869	2.7
145.06476	4.6
145.10118	9.1
147.07985	1.6
147.11682	5.5
149.09573	2.9
149.13225	1.4
150.09113	2.0
151.07518	0.9
151.11099	0.8
153.09087	1.2
155.08575	0.6
156.05612	0.7
157.10100	1.5
159.08041	2.4
159.11684	5.9
161.09605	5.5
161.13210	2.7
163.07500	1.8
163.11159	1.8
164.10664	0.7
165.09181	0.8
167.06963	1.7
169.10034	1.0
173.05991	4.6
173.09613	1.6
173.13239	1.6
175.07532	0.8
175.11118	2.2
175.14819	0.8
177.05455	4.4
177.09073	2.2
177.12643	1.3
177.16350	1.1
179.10721	2.8
179.11934	0.5
180.10143	0.5
181.10020	0.7
183.11671	1.0
185.13274	0.8
187.07556	1.1
187.11145	2.0
187.14839	3.7
189.08974	0.7
190.06183	1.7
191.06918	0.8
191.10667	1.7
191.17932	0.8
201.12697	1.0
201.16344	5.2
203.07092	1.2
203.14412	0.6
203.17903	2.0
205.08578	4.4
205.12097	1.4
205.15944	0.5
211.14845	1.3
217.08534	2.2
219.13713	1.4
219.17432	2.2
223.14517	1.0
229.12219	1.0
229.15895	3.1
235.09578	0.7
247.09663	1.4
247.13129	0.8
247.16904	7.2
247.24217	0.6
265.17938	100.0
266.18204	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	265.1545
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
50.16679	0.5
55.05503	1.1
70.06584	1.3
70.56181	1.6
70.56551	0.7
72.08150	18.7
73.46658	0.5
79.05470	2.0
81.07051	3.6
84.08102	0.6
86.09695	3.6
89.03910	4.2
89.10782	10.5
93.07007	0.9
96.07546	1.0
96.08121	12.8
98.06052	1.0
98.09689	5.3
100.07634	0.7
103.12325	2.0
107.04968	0.6
115.08665	1.8
117.03375	17.9
118.88634	0.6
124.07581	11.0
124.11217	32.0
130.25087	0.5
134.03644	0.8
135.04393	2.3
142.12250	2.5
145.02834	61.9
147.04388	0.8
148.11201	0.7
149.05954	6.5
150.09131	7.0
150.12740	1.5
152.14284	0.8
163.03906	8.4
164.10698	1.2
177.05452	100.0
178.05762	0.7
180.10118	2.5
186.05565	0.8
223.14452	0.9
235.18057	1.1
247.17990	1.5
248.12796	4.0
265.15479	18.6
265.19089	25.3
272.10202	0.5
274.51443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1545
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
63.02359	0.3
64.64977	0.2
70.55219	0.7
72.08151	5.4
82.98669	0.2
87.30746	0.2
89.03901	2.5
89.10786	5.3
91.05471	0.5
96.08127	0.6
98.06036	0.8
114.09137	0.3
115.08672	1.8
117.03373	12.7
119.08555	0.3
124.07593	0.5
124.11224	1.8
134.03613	0.9
135.04407	0.8
145.02834	47.1
146.03146	0.4
149.05977	4.8
150.09138	0.2
163.03902	0.5
177.05458	100.0
178.05875	1.1
180.10272	0.3
186.05495	0.8
193.08722	0.3
226.68536	0.2
248.12799	7.5
265.15427	22.3
265.19000	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	265.1544
Annotation	Vaccinine A
Peak:m/z	Relative Intensity
52.53538	0.3
53.72757	0.5
55.01881	0.3
55.05502	2.1
63.54358	0.4
65.03929	0.5
67.05488	2.1
68.05028	0.3
69.03415	0.9
69.07064	0.8
69.78567	2.4
70.06592	2.7
72.08147	7.2
77.89822	0.4
79.05482	3.4
80.04973	0.5
81.07038	2.6
82.06568	0.6
84.08122	2.2
86.06038	1.5
86.09680	1.0
89.03873	0.4
89.10769	0.8
91.05471	3.6
93.07027	4.7
94.06551	0.6
95.04964	2.2
95.08591	0.9
96.08118	5.0
97.02857	0.6
98.06020	1.7
98.09682	2.8
98.20801	0.5
98.97552	0.5
99.04462	0.5
100.07595	0.7
103.05414	0.5
103.12340	0.5
105.07016	2.4
107.04942	1.0
107.08566	1.0
108.08048	0.9
109.02888	2.0
109.06499	1.1
110.09655	2.3
111.04433	1.7
114.05497	1.0
114.10299	0.9
115.05427	1.0
115.08690	0.5
117.03365	1.4
117.06991	1.7
119.04937	0.5
119.08585	2.6
121.02852	0.5
121.06474	1.5
121.10128	1.9
122.07116	4.1
122.09637	1.0
123.08062	0.8
124.07584	3.6
124.11211	10.0
128.06166	0.8
129.06943	1.0
130.07785	0.5
131.08546	1.4
131.12959	0.6
133.06506	0.8
133.10074	1.0
134.03621	0.5
134.05997	0.8
135.04373	1.0
135.08044	1.7
136.11201	1.8
137.05946	0.6
138.09190	0.5
141.06865	0.4
141.62482	0.4
142.12233	1.1
143.08534	1.1
144.04742	0.8
145.02829	4.3
145.06450	2.4
145.08939	0.6
145.10095	1.3
146.09586	0.6
147.04401	1.3
147.07965	1.9
149.05875	0.7
150.05463	0.7
150.09100	2.6
150.12686	0.6
151.07457	0.5
152.06970	0.6
152.14374	0.5
155.06012	0.6
156.05673	0.6
157.09976	0.7
158.07271	0.8
159.08069	1.4
159.11656	1.1
160.11195	7.5
161.09628	1.1
163.03893	4.0
163.07552	0.7
164.10695	5.4
165.09091	0.9
173.05978	2.1
173.09608	0.6
173.13324	0.6
175.07538	1.7
175.11197	0.9
177.05449	8.7
179.05327	0.7
180.10161	1.6
183.11632	0.4
186.09067	2.6
187.11142	0.9
188.10683	77.7
189.09007	0.4
189.11021	0.7
190.06273	0.7
193.08586	1.5
199.11023	0.5
201.12627	1.0
202.12282	2.4
203.10646	1.0
204.13763	0.4
205.08568	2.1
206.11821	2.0
213.49435	0.5
217.08627	1.3
219.14940	10.3
223.14383	25.2
229.12166	0.8
235.14388	1.2
235.17917	0.5
237.15955	0.6
247.14433	33.0
248.12778	0.5
256.64758	1.9
257.14886	0.6
265.15439	100.0
265.19040	43.7
266.15781	1.0
270.68365	0.4
283.16537	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	265.1434
Annotation	Isovalerylferulate
Peak:m/z	Relative Intensity
55.05506	3.4
64.80523	0.6
65.03938	1.1
67.05495	3.3
69.03424	4.8
69.07043	1.0
70.06738	2.1
70.07134	0.9
71.04977	1.8
72.08150	11.9
79.05488	3.9
81.07055	4.0
83.04968	1.1
84.08098	0.7
86.09701	0.9
89.03918	3.4
89.10778	6.7
91.05476	5.4
93.07018	6.3
95.04968	5.6
95.08588	2.8
96.08117	5.6
97.02899	0.7
97.06543	0.8
98.06000	1.6
98.09683	2.4
99.04443	0.9
102.67672	0.6
103.12326	0.7
105.07013	9.8
106.06377	0.8
107.04931	0.9
107.08562	3.2
109.06505	4.4
110.02410	0.8
110.09689	0.9
111.04434	4.0
113.05983	2.6
115.05466	0.9
115.08681	2.1
116.06239	0.7
117.03367	16.1
117.06989	2.4
119.04926	0.6
119.08570	12.0
120.58926	3.1
121.02847	1.6
121.06487	6.1
121.10136	2.3
122.07156	1.3
123.08082	3.7
124.07600	3.4
124.11208	10.5
128.06187	1.6
129.06976	2.1
130.07735	1.0
131.08563	6.0
131.11969	0.6
133.06520	1.8
133.10097	2.6
134.03616	1.2
135.04414	1.7
135.08038	11.5
137.09605	2.1
139.03883	1.3
139.07556	1.1
141.06952	1.1
142.07727	1.4
142.12230	1.4
143.08537	2.3
144.04800	0.7
144.09366	1.2
145.02827	52.5
145.06458	2.3
145.10081	3.4
147.04364	1.4
147.08057	5.4
147.11700	1.5
149.05986	6.7
149.09595	1.7
150.09129	2.4
152.07062	1.3
155.08499	1.0
156.09375	1.0
157.06523	0.8
157.10103	2.5
158.07233	3.9
158.10905	0.7
159.08041	5.8
159.11676	6.4
160.08817	0.9
161.09613	6.7
161.13289	0.8
163.03896	1.6
165.09074	5.7
168.09312	1.3
169.09827	1.2
171.08052	0.9
171.11719	1.7
172.08827	3.0
173.09595	2.4
173.13237	2.8
175.07539	11.1
175.11148	6.0
177.05449	100.0
178.05779	1.1
180.10152	2.1
183.11633	1.5
185.09593	1.2
186.05472	1.2
186.10422	0.8
187.11195	6.0
189.09116	1.6
189.12709	2.1
193.08624	3.4
196.08755	1.2
199.11201	2.0
201.12715	4.2
203.10661	10.0
205.12189	1.7
207.10168	0.8
211.11177	2.8
217.12238	4.7
219.13791	1.3
229.12196	5.8
235.13260	2.3
247.13269	9.5
247.18100	1.1
248.12785	9.0
256.64777	1.6
265.15256	28.1
265.19077	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	265.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03471	0.6
55.01862	0.6
55.05509	2.2
56.05029	0.3
56.96563	3.2
57.03424	0.7
58.06575	0.4
61.02928	0.6
65.03928	0.4
67.05498	0.5
68.05007	0.4
69.03414	1.3
69.07037	0.4
69.86974	1.3
70.06580	1.8
71.04972	0.8
72.08149	10.5
73.02910	0.7
73.08487	0.5
79.05483	2.8
80.05000	1.5
81.03412	0.4
81.04532	10.0
81.07044	4.6
82.06564	1.8
84.08140	2.3
85.02911	1.4
85.59258	0.2
86.09703	1.1
87.04440	0.3
89.03916	0.9
89.10789	2.4
90.66677	0.3
91.05476	1.5
93.07050	1.0
94.06570	0.8
95.04984	0.7
95.08593	0.5
96.08121	9.2
97.02873	1.3
97.06525	0.5
98.06052	1.5
98.09679	12.6
98.97577	4.0
99.04443	0.4
100.07574	0.6
102.09126	0.3
103.05480	0.3
105.06972	0.3
106.06537	0.3
107.04948	0.4
107.08555	0.6
108.08098	0.6
109.02850	0.5
110.07153	0.3
112.07551	0.4
113.02959	0.7
114.09132	0.4
115.08687	0.5
116.98611	3.1
117.03367	3.6
119.01878	0.6
119.04937	3.2
119.08579	0.6
120.05259	0.3
120.08067	0.3
121.01635	0.4
121.02819	0.5
122.07140	100.0
124.07584	7.7
124.11217	32.8
126.03683	0.7
127.03921	0.6
127.48944	0.3
128.98624	0.3
129.07033	0.3
130.08597	0.3
131.00172	0.4
131.08574	0.3
132.08105	0.3
133.01686	0.6
133.10182	0.4
134.06052	0.7
134.09625	0.4
134.99657	2.0
135.04468	0.4
135.08037	0.3
136.07585	0.5
136.11201	0.8
139.02725	0.3
142.12251	1.7
143.00159	0.4
144.04771	26.4
145.02824	12.7
145.10132	0.5
146.99661	0.3
147.03214	0.5
147.04384	9.3
148.04779	1.5
148.07553	0.3
148.11208	0.4
149.01219	0.5
149.05969	1.9
150.05461	0.3
150.09129	4.2
150.12770	1.2
152.07018	0.3
155.04666	0.6
158.99658	0.5
159.04424	0.4
159.11713	0.5
160.07654	0.3
161.01205	0.3
161.09677	0.4
162.09138	0.9
162.99178	0.3
163.02696	1.3
163.03899	0.8
164.05190	0.6
164.07086	0.4
164.10692	0.8
170.05124	0.5
170.55318	0.5
173.06071	0.3
175.03944	1.4
177.00714	0.8
177.05460	25.3
178.04697	0.3
178.05966	0.4
178.07277	0.3
180.10181	3.6
184.04851	0.3
186.05487	0.4
188.07256	0.3
193.00284	0.5
199.01396	0.4
203.11826	0.4
204.10007	0.3
204.13887	0.6
205.00211	0.5
205.03703	0.3
205.05406	0.3
207.06522	1.7
216.13931	0.4
218.11687	2.1
219.01776	0.4
219.05357	0.4
223.01195	0.5
223.14391	0.5
226.63068	0.3
229.13246	1.0
235.14383	1.6
235.18002	1.4
237.02881	0.5
247.01297	0.3
247.10927	0.3
247.14305	1.0
247.18105	2.7
248.12787	4.5
256.07065	0.4
260.04419	0.3
263.17496	0.3
265.11731	3.3
265.15503	12.6
265.19104	39.8
278.13867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21824	0.3
56.96561	35.4
57.97365	0.3
69.88753	2.0
69.89104	0.4
71.95262	1.5
72.96037	0.7
74.97598	3.9
84.08125	0.5
84.96051	0.4
85.02878	0.3
86.97569	0.4
87.30743	0.3
97.99168	0.3
98.97576	100.0
100.99165	0.3
110.97528	0.5
112.99138	1.0
114.97070	0.6
116.98610	73.3
119.01917	0.7
121.01677	0.5
126.97047	0.5
128.98599	1.0
131.00142	1.6
132.98074	1.8
134.99644	36.9
140.00185	2.4
143.00140	0.7
144.98094	3.2
146.99605	1.0
149.01193	1.6
150.99130	3.8
151.96066	0.3
153.00688	4.7
156.98079	2.3
158.01250	1.5
158.99666	3.8
161.01224	1.4
162.99127	8.5
163.02715	0.8
165.00664	0.4
169.00180	1.6
174.99144	6.5
177.00725	9.0
181.00195	6.6
186.00679	0.9
186.99155	1.5
190.99567	0.3
192.98445	0.5
193.00200	10.2
195.01732	0.9
199.01254	3.4
200.02115	0.3
205.00198	15.7
211.01245	1.2
216.01764	0.4
217.00124	1.1
219.02042	1.5
223.01253	11.4
228.01520	0.4
237.39130	0.3
241.02281	1.5
246.02924	0.4
247.01106	0.7
261.03006	1.8
265.02319	2.2
265.05710	1.8
283.03320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
55.05507	1.2
69.31625	1.5
69.32037	8.6
70.06586	1.5
72.08148	5.4
72.08471	0.8
79.05488	2.5
81.03401	1.5
81.07067	1.7
91.05483	3.8
96.08118	7.0
98.06087	1.0
98.09699	2.4
103.05460	4.0
105.07076	1.2
107.05013	1.0
109.02868	4.3
110.09678	1.0
115.05436	19.8
117.07011	38.6
118.42490	0.7
119.08572	2.3
122.07171	6.5
122.25088	0.8
124.07566	4.2
124.11205	11.5
128.06206	2.4
129.06982	3.0
130.04109	2.4
131.04926	1.4
131.08549	2.4
132.05769	1.4
142.12219	1.1
143.04901	1.0
144.05711	1.5
145.02838	3.6
145.06473	82.6
147.04396	2.5
147.08000	4.4
150.09157	2.2
155.06027	8.9
156.05696	17.5
157.06450	2.8
159.08098	3.0
160.05234	1.8
161.05965	4.9
164.10736	2.1
167.07051	2.0
173.05972	100.0
174.06487	0.9
175.04005	1.6
175.07579	4.1
177.05473	6.0
180.10182	1.0
184.05151	1.6
187.07561	2.9
189.94603	1.0
190.06238	35.2
191.06956	1.1
192.94615	0.9
202.06281	4.3
203.07027	15.6
205.08588	87.1
217.08586	58.5
223.09578	2.0
223.14438	6.9
235.09708	8.4
247.09619	2.6
247.18036	2.1
256.64697	1.9
265.09836	3.7
265.15640	2.9
265.19101	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	263.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.05267	1.0
55.05506	14.3
57.03426	2.5
57.07069	11.5
65.03918	2.5
66.94128	0.9
67.05498	84.0
69.06710	1.4
69.07059	16.1
70.45105	2.5
70.45509	1.2
70.83447	0.9
71.04976	1.7
71.08617	5.2
74.27081	0.9
79.05482	20.2
81.07050	100.0
83.04986	1.8
83.08202	1.2
83.08617	14.0
85.06536	4.8
85.10206	2.2
91.05476	16.6
93.06464	1.4
93.07032	22.7
95.04934	1.9
95.08598	83.7
97.06509	10.3
97.10159	6.3
99.08061	6.1
104.99250	1.1
105.07011	10.5
107.08580	12.1
109.06535	1.6
109.10145	43.9
111.08089	5.3
113.09613	1.7
119.08578	12.9
121.10123	15.4
123.08022	2.8
123.11693	20.1
125.09608	1.6
127.11166	2.3
133.10123	16.2
135.11687	8.2
137.09592	3.1
137.13263	7.2
139.11156	1.8
141.12717	2.9
147.11670	10.7
149.13232	9.7
151.14815	9.3
155.14285	2.2
161.13243	14.3
163.14816	9.6
165.16382	11.4
175.14799	9.2
177.16441	1.7
179.17934	3.8
181.15825	1.4
189.16353	3.6
193.25648	1.0
203.17877	1.9
217.19516	3.9
219.21046	1.2
245.22638	45.3
263.23682	93.1
264.23914	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03938	1.6
55.05510	14.5
57.03435	1.9
57.06813	0.8
57.07073	10.3
65.03933	2.2
67.05502	86.7
68.05853	0.5
69.07067	14.5
69.60963	3.5
71.04996	1.4
71.08627	5.6
79.05491	20.7
80.05823	0.5
81.07055	100.0
82.07420	0.5
83.04977	1.5
83.08614	14.4
83.09111	0.8
84.10465	0.5
85.06534	4.2
85.10169	2.6
91.05477	16.9
93.07044	22.5
95.04970	2.1
95.08603	79.9
96.08966	0.6
97.06528	7.0
97.10173	5.8
99.08079	4.5
105.07029	11.6
107.08590	13.1
107.09286	1.0
109.06527	1.7
109.10150	40.0
111.08071	3.9
111.11720	1.1
113.09666	2.4
117.06977	0.7
119.08575	10.1
121.09454	0.3
121.10143	15.4
123.08068	2.4
123.11702	16.9
125.09624	0.8
127.11205	2.0
133.10121	15.3
135.11676	7.9
137.09612	2.0
137.13245	6.7
139.11180	0.9
141.12718	2.3
147.11679	8.5
149.13252	6.6
151.11205	0.9
151.14801	7.7
153.12692	0.9
155.14313	1.8
161.13246	9.3
163.14812	7.2
165.12704	0.7
165.16406	8.1
167.14296	1.0
175.14825	6.7
177.16370	1.8
179.17949	4.4
181.15845	0.9
189.16382	3.9
203.17911	1.6
217.19487	1.1
219.20998	0.6
245.22646	32.0
263.08194	0.7
263.17953	2.5
263.23688	70.6
264.23932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03934	2.4
55.01862	1.4
55.05500	14.6
57.03423	2.1
57.07069	11.5
58.66664	1.0
65.03911	2.7
67.05499	88.9
69.06719	1.2
69.07066	17.5
69.56661	7.4
71.04984	2.3
71.08622	7.5
76.58885	0.9
79.05047	1.9
79.05483	22.0
81.07049	100.0
83.04972	2.4
83.08610	13.6
85.06531	3.9
85.10182	2.0
91.05476	17.3
93.07034	24.5
95.04976	4.5
95.08599	85.5
96.81891	0.9
97.06537	6.4
97.10157	6.1
99.08090	4.8
104.99252	4.6
105.07023	14.5
107.08583	16.6
109.06494	2.1
109.10145	44.6
111.08053	4.8
113.09637	3.2
117.06972	1.6
119.08566	11.9
121.10133	19.5
123.08081	1.8
123.11707	21.7
125.09648	1.2
127.11184	2.2
131.08546	1.8
133.10120	16.7
135.11655	11.5
137.09578	3.8
137.13257	7.3
139.11156	1.4
141.12730	2.5
147.08034	1.0
147.11684	9.4
149.13220	9.0
151.11122	1.9
151.14801	9.1
155.14288	1.7
157.10132	1.3
161.13243	10.1
163.14825	7.5
165.16408	8.6
175.14769	7.8
176.35783	1.1
177.16345	2.1
179.17961	5.9
179.98636	0.9
189.16414	5.0
193.15886	1.4
197.43732	1.0
203.17889	1.9
204.13362	2.3
207.06537	1.2
207.17368	1.2
217.19345	1.3
219.21071	1.4
237.28601	1.1
245.22623	40.9
246.11066	1.1
246.23114	1.5
247.11595	4.1
248.12331	2.7
258.25937	0.9
263.05350	1.2
263.14703	34.6
263.17578	4.4
263.23679	98.2
264.14935	1.9
264.23969	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.93227	0.8
53.03946	2.1
55.01876	0.8
55.05507	16.5
56.96563	5.0
57.03413	2.2
57.07069	13.2
59.34667	0.8
62.50313	0.9
65.03924	2.5
67.05500	89.0
69.07062	20.7
69.47120	8.9
71.04987	2.3
71.08626	6.6
79.05057	1.4
79.05488	21.1
81.07050	100.0
83.04965	3.2
83.08610	15.3
83.32962	0.9
85.06523	4.2
85.10162	3.3
91.05470	19.0
93.07038	26.5
95.04955	4.0
95.08599	89.6
97.06506	7.8
97.10156	6.4
99.08070	5.1
104.99255	5.4
105.07025	15.2
107.04967	1.1
107.08584	19.1
109.06508	3.6
109.10148	46.5
111.08071	6.2
111.11705	1.0
113.09625	3.2
119.08575	14.8
121.10136	21.4
123.08039	3.9
123.11698	20.7
125.09665	2.2
127.11180	1.7
131.08548	2.3
133.10120	15.3
135.11668	10.6
137.09593	2.6
137.13248	9.4
141.12709	1.9
145.10141	2.1
147.04430	1.7
147.11678	10.8
149.13255	9.6
149.59901	1.0
151.11195	3.0
151.14801	7.6
155.14301	1.6
159.43379	0.9
161.13240	12.7
163.14792	9.5
165.12717	1.0
165.16367	10.9
173.09569	1.0
173.13281	1.4
175.14845	9.1
177.16309	2.1
179.14211	1.0
179.17941	4.9
181.15900	1.4
185.13406	1.0
186.40973	0.9
189.16373	3.7
199.06512	1.1
203.17963	1.9
207.13774	1.1
217.07489	2.0
217.19618	2.4
220.04051	1.2
229.04359	2.7
231.54587	1.0
245.18979	2.2
245.22629	37.1
263.17551	4.9
263.20142	15.7
263.23700	91.9
264.24084	1.1
273.89957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
55.01853	6.3
55.05506	19.6
57.03433	23.1
57.07043	2.6
62.06464	1.9
65.26276	2.0
67.05174	3.6
67.05501	51.4
69.07061	18.5
69.64104	15.0
71.04970	14.2
72.08128	6.9
79.05485	59.2
81.07050	57.5
83.04955	7.1
83.08598	10.2
85.06530	7.6
91.05477	42.1
93.07034	67.2
93.44598	2.3
95.04959	16.3
95.08598	75.2
95.29330	2.3
97.06502	9.5
97.10108	3.9
97.20460	2.5
99.08044	2.2
104.99249	6.5
105.07018	41.3
105.07684	4.6
107.04914	5.6
107.08587	63.8
109.06506	17.5
109.10142	14.7
111.08040	6.5
112.46025	2.1
114.09109	2.6
117.07038	14.9
119.04920	2.3
119.07774	3.4
119.08566	21.7
121.06385	2.7
121.10126	23.8
122.05863	2.3
123.08092	13.8
123.11703	3.9
124.60807	2.3
127.07492	2.4
129.06926	6.5
131.08560	28.9
133.06531	2.5
133.10115	23.9
135.08032	4.0
135.11713	14.1
137.09610	7.5
143.08556	4.9
145.10124	25.5
146.66048	2.1
147.04401	8.1
147.11673	18.0
149.09639	4.2
149.13220	4.7
151.11154	10.0
153.12773	3.4
157.10081	8.5
159.10175	6.5
159.11650	12.7
161.09622	3.1
161.13223	6.6
163.11157	2.8
163.14801	3.5
165.12762	2.6
171.11664	12.3
173.13246	48.5
175.14774	4.0
179.14407	2.9
185.13231	5.2
187.14803	3.2
189.16483	2.5
191.14230	4.2
199.14848	2.8
221.15408	3.1
227.17839	11.9
239.62770	3.0
245.11745	2.9
245.16678	4.0
245.19012	29.3
246.11205	2.3
263.17386	15.7
263.20020	100.0
263.23050	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	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
52.33639	2.3
53.03943	9.1
55.01853	9.2
55.05507	16.4
57.03429	11.3
61.49744	2.5
63.87189	2.2
65.03929	2.7
67.05154	4.9
67.05495	50.4
69.07064	26.7
71.04982	3.6
71.62657	4.0
79.05495	31.2
81.03423	25.3
81.07055	54.3
83.04984	8.2
83.08601	3.4
85.06555	2.6
91.05470	28.6
91.64331	2.4
93.07034	41.9
95.04961	17.4
95.08600	100.0
96.47706	2.8
97.06528	16.8
102.93048	2.4
104.99268	15.5
105.07030	20.6
107.04968	7.7
107.08580	18.4
109.06516	14.7
109.10170	10.5
111.08072	6.3
117.07040	3.7
119.08588	11.2
121.10136	10.0
123.08085	8.9
123.11726	2.9
127.65456	2.6
129.06976	2.9
131.08574	9.4
133.06511	3.6
133.10147	11.0
135.08116	2.5
135.11700	4.9
141.09012	2.8
147.11710	9.1
149.09612	3.7
151.11168	2.9
157.10120	5.0
157.60945	2.5
159.10172	26.4
159.11407	4.3
161.13260	4.9
173.13289	7.3
191.11906	3.2
191.66077	2.6
193.12276	10.1
245.11949	2.9
245.19102	3.7
263.10690	4.1
263.17410	7.5
263.20029	57.9
263.23444	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	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03939	2.1
55.01862	3.0
55.05507	12.6
55.46697	0.5
56.96580	0.6
57.03425	4.3
65.03924	1.5
67.05499	32.9
69.03415	0.9
69.07064	13.9
69.94009	2.0
71.04984	1.8
72.08157	1.6
79.05485	23.6
81.03419	2.7
81.07050	20.7
83.04975	3.7
83.08612	2.4
85.06535	1.1
91.05471	12.2
93.07038	14.6
94.06577	1.1
95.04965	8.4
95.08599	100.0
97.06519	5.6
104.99264	2.7
105.07014	10.2
107.04949	3.7
107.08588	24.0
109.06507	4.4
109.10141	4.9
111.08064	0.7
113.09614	0.9
113.56539	0.6
117.07012	1.7
119.04960	0.8
119.08571	4.6
121.06537	0.9
121.10117	5.2
123.08058	4.5
123.11679	1.9
129.06992	1.5
129.10269	0.5
131.08583	2.4
133.06447	0.7
133.10121	5.4
134.68176	0.5
135.08049	1.4
135.11710	2.6
135.90134	0.6
136.19414	0.5
137.09602	2.0
141.09076	2.9
143.08556	1.2
145.10126	4.2
147.04385	2.4
147.08008	1.0
147.11671	2.9
149.09604	1.9
149.13231	0.8
151.11165	3.2
157.10159	0.9
159.10158	24.5
159.11484	1.4
161.13225	1.2
163.11272	0.9
165.12769	0.9
171.11641	1.4
173.13194	1.1
185.13214	0.7
187.14839	0.8
189.12744	0.7
191.11876	0.6
199.14709	0.8
203.17929	0.6
221.15508	0.5
227.17921	1.8
235.20540	0.5
245.19017	4.7
263.17426	3.1
263.20035	32.9
263.25656	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	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
52.99385	0.9
53.03725	0.7
53.03941	6.0
55.01853	3.1
55.05504	9.3
57.03428	4.0
62.28925	0.8
65.03924	1.2
67.05499	31.2
69.06709	1.3
69.07060	15.1
71.06795	1.0
71.07133	1.8
72.08118	0.9
79.05058	1.2
79.05486	20.6
81.03412	14.0
81.07047	19.1
83.04969	4.7
83.08607	2.3
85.06536	1.0
91.05469	13.5
93.06468	1.6
93.07034	21.9
95.04955	11.7
95.08598	100.0
97.06525	8.9
104.99294	1.8
105.07013	9.6
107.04916	3.2
107.07952	1.2
107.08588	13.0
109.06479	3.6
109.10141	2.4
111.08067	1.5
117.06964	2.0
119.08571	6.2
121.06551	1.1
121.10120	4.4
123.08053	4.7
123.11688	1.3
125.09547	0.9
129.06947	2.8
131.08546	3.2
133.06479	1.8
133.10118	4.4
135.11627	1.7
137.09641	1.2
137.13234	0.9
141.09102	4.1
142.07733	1.0
145.10120	1.1
147.04387	1.0
147.08055	0.9
147.11650	3.6
151.11189	1.8
157.10097	2.9
159.10153	25.5
159.11510	1.9
171.11525	1.1
173.13147	0.9
193.12212	6.0
211.13199	1.4
245.11482	0.9
245.18890	1.5
263.17447	2.8
263.20023	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03932	4.5
55.01865	3.1
55.05509	19.8
57.07071	4.9
67.05504	37.4
69.03425	2.8
69.07055	20.9
69.35397	6.8
69.35817	21.5
71.04965	7.4
79.05489	73.9
81.07050	43.6
83.04973	2.8
83.08606	13.5
87.04455	3.1
91.05476	35.4
93.07038	100.0
95.04948	11.3
95.08604	38.3
97.06512	4.0
97.10143	5.4
98.21564	4.8
101.06014	2.8
104.99288	14.6
105.07027	26.8
107.08591	57.1
109.06494	7.6
109.10122	17.1
111.08060	4.0
117.06957	3.1
119.08568	19.6
121.06510	3.6
121.10135	51.3
123.08027	3.3
123.11697	3.5
129.06975	4.2
131.08545	5.9
133.10121	24.7
133.72633	2.5
135.08020	3.6
135.11694	46.9
137.09595	3.7
143.08578	6.1
145.10083	3.6
147.04437	5.7
147.08051	2.7
147.11697	15.1
149.13258	17.9
157.10156	4.2
159.11659	4.8
161.09578	2.9
161.13237	7.6
163.11163	4.3
163.14789	3.3
171.11702	5.8
175.11150	5.8
177.12895	2.7
185.13266	6.3
189.12814	2.9
193.12320	2.9
199.14914	3.2
202.07829	3.2
203.17935	3.2
207.06383	3.2
207.13701	4.2
221.15283	4.1
227.17827	6.3
243.54370	2.5
245.18907	6.7
248.03835	2.8
263.17102	10.9
263.20053	96.9
263.22934	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	263.2004
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03940	4.1
55.05509	24.1
56.96572	2.8
57.07052	2.6
65.03933	3.0
67.05508	29.8
69.03419	2.5
69.07066	14.3
69.86391	12.3
71.04982	3.8
72.08144	2.5
79.05489	75.5
79.05953	3.7
81.07051	40.9
83.04958	4.5
83.08629	15.2
91.05468	29.8
91.91249	1.8
93.07038	100.0
95.04962	9.4
95.08604	36.3
97.06483	3.3
97.10172	4.1
97.10863	1.8
101.05990	2.5
104.99251	10.5
105.04486	2.9
105.07029	19.0
107.04919	2.6
107.08592	62.2
109.06497	8.6
109.10153	13.4
117.06974	3.4
119.08568	16.7
121.06502	3.0
121.10139	73.3
121.11024	3.8
123.08044	3.7
123.11716	3.1
125.09596	2.7
128.06172	2.2
129.07014	4.1
131.08530	6.1
133.10112	15.3
135.08043	3.1
135.11681	41.3
137.09499	2.2
143.08566	4.0
145.10089	6.3
147.04353	2.4
147.08054	3.1
147.11658	12.4
149.13271	14.2
151.03952	2.2
153.09003	2.5
157.10071	4.8
159.11671	3.1
161.13199	4.9
163.11203	3.3
171.11609	3.2
175.11238	2.9
181.12244	3.3
185.13272	2.8
189.12711	3.9
199.14775	2.7
207.13812	4.3
217.12192	2.3
217.15825	2.2
221.13161	3.1
221.15227	2.9
227.17964	3.9
245.18925	4.0
263.05554	3.2
263.13760	4.2
263.17133	13.2
263.20038	90.6
263.25711	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	263.2003
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
55.01857	3.2
55.05505	11.0
57.07052	8.6
66.27270	1.8
67.05170	3.5
67.05499	49.4
69.03409	4.7
69.06721	2.3
69.07064	33.8
71.04987	4.2
71.64347	3.3
79.05488	31.3
80.59211	2.0
81.03406	4.4
81.07050	40.2
83.04958	6.8
83.08608	5.9
85.06528	4.6
91.05467	20.9
93.07041	33.3
95.04956	11.2
95.08601	45.1
97.06503	6.6
97.10172	3.1
99.08073	2.3
100.95448	1.9
104.99249	7.7
105.07018	19.8
107.04915	5.5
107.08580	20.2
109.06503	12.8
109.10149	15.9
111.08067	3.4
117.06998	3.7
119.08566	16.3
121.06474	6.6
121.10141	14.1
123.08042	5.9
123.11684	8.8
129.06998	4.3
131.08568	8.9
133.06444	3.3
133.10117	15.2
135.08067	3.2
135.11714	10.8
137.09621	3.9
137.13252	2.3
143.08548	3.7
145.10130	10.0
147.07997	4.5
147.11655	12.9
148.07475	2.1
149.13248	3.7
151.11153	10.0
157.10068	2.6
159.11658	3.7
161.13261	9.2
163.01942	2.0
163.11174	3.9
171.11627	2.8
173.13258	2.0
179.14297	7.2
181.62212	2.1
189.12674	2.1
195.13780	3.8
207.13760	13.2
217.12207	1.9
217.19417	2.0
221.15401	3.5
227.17953	3.2
245.18938	16.5
245.22662	4.0
263.14124	4.1
263.17398	12.7
263.20044	100.0
263.23514	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1754
Annotation	10,17-Dioxo-beta-isosparteine
Peak:m/z	Relative Intensity
55.26534	0.4
58.06581	0.7
59.42940	0.5
67.05499	0.6
69.97340	0.4
70.06596	3.0
70.47044	1.8
72.08138	1.2
76.33829	0.4
81.07018	0.5
82.06590	0.6
84.08136	0.8
91.31641	0.5
92.65137	0.5
93.07014	1.1
94.06567	1.3
95.07342	0.5
96.08096	0.5
98.09670	2.9
108.08092	2.0
109.05199	0.6
110.05999	1.3
122.05148	0.8
122.06023	13.2
124.11215	1.3
126.05447	0.5
132.04453	6.6
134.05997	2.0
146.05978	1.3
147.04382	1.8
148.06377	0.7
148.07564	12.7
160.07541	1.9
162.09097	1.1
163.08641	0.9
172.07549	3.1
174.09065	0.5
178.23627	0.4
191.11778	78.9
192.11948	0.5
202.12276	1.7
203.11771	13.2
204.10086	0.6
220.13130	0.5
221.12833	6.1
221.86743	0.4
231.14911	1.8
245.16524	1.1
263.17535	100.0
264.17859	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	263.1277
Annotation	8-Desoxyartelin
Peak:m/z	Relative Intensity
52.96423	0.5
53.03895	0.6
54.11255	0.5
54.73227	0.5
55.05510	2.9
56.51806	0.5
56.96535	0.6
57.03410	0.5
57.07076	0.7
67.05504	3.0
69.03407	1.8
69.07058	3.0
70.06566	2.1
70.68574	1.7
71.04971	1.3
71.08611	0.5
72.08152	6.8
79.05492	3.0
81.03364	0.8
81.07050	6.5
83.04967	1.0
84.08117	0.6
85.02885	1.3
85.06515	1.2
86.09683	2.1
88.07577	0.6
89.10775	0.7
91.05456	5.0
92.83180	0.6
93.07044	4.7
95.04942	1.6
95.08595	6.2
96.08111	1.5
97.02852	1.2
97.06535	1.0
98.06036	0.9
98.09660	0.6
101.05960	0.7
103.05460	1.4
105.07020	3.3
107.04948	1.0
107.08587	4.1
108.08125	0.9
109.02858	0.6
109.06493	1.3
109.08887	1.2
109.10147	3.9
110.02361	1.2
111.04471	0.8
111.08074	2.3
113.07072	1.1
114.10251	1.2
115.05445	1.5
117.06997	1.8
119.04967	3.5
119.08550	3.6
121.06512	0.8
121.10145	2.9
123.04462	0.7
123.08009	0.8
123.11698	1.5
124.07597	0.6
127.03896	0.8
127.80628	0.5
128.06203	1.7
128.11839	0.6
129.06996	4.3
130.07799	0.5
131.04883	1.6
131.08559	3.3
132.04428	0.5
132.05676	1.2
132.10194	0.6
133.01765	0.6
133.06480	1.2
133.10103	2.0
135.04404	0.6
135.08040	1.4
135.11674	1.6
136.11186	0.7
137.02338	0.9
137.06000	0.6
137.13240	1.0
139.03813	0.7
141.06973	1.7
142.07719	0.8
143.04912	0.8
143.08525	1.4
144.05692	2.3
145.06503	2.7
145.10115	1.0
145.14499	1.1
147.04396	16.0
147.08029	2.2
147.11661	1.6
148.07565	1.1
148.60745	2.2
149.05984	0.7
149.13240	1.9
150.09195	0.7
150.11519	0.9
150.12764	8.0
151.07506	1.1
152.07106	1.0
153.07022	0.7
157.06508	2.6
157.10141	1.4
158.07242	1.4
159.08057	9.8
159.11681	1.4
160.05157	0.8
160.08730	0.6
161.05927	1.5
161.09573	1.7
161.13177	1.1
162.09119	1.1
163.07523	0.6
163.14824	0.8
164.10678	1.8
165.05453	0.6
166.06319	0.6
167.07124	0.7
169.06467	1.2
170.07256	1.1
171.08115	2.7
172.05145	1.0
172.08832	0.7
173.06000	3.4
173.09563	3.2
174.06767	2.7
175.07521	6.4
175.14862	1.0
176.08322	1.6
177.05502	2.8
177.09109	1.3
177.12729	0.5
177.14619	1.3
179.10590	0.5
181.08688	0.7
183.08057	1.3
185.05957	0.9
185.09557	0.9
186.06683	1.1
187.07538	12.0
188.08296	4.8
188.68698	0.6
189.05464	2.7
189.09097	11.2
191.06996	1.8
191.11880	0.9
192.07739	0.7
195.06252	0.6
199.07562	3.9
200.04727	0.7
201.05464	1.1
201.09116	4.7
201.16278	0.8
202.06116	1.1
202.09875	27.4
203.07036	9.8
203.10500	5.2
204.07822	1.1
204.11441	11.4
204.13747	2.5
205.08571	2.9
205.12129	1.0
207.06519	2.3
207.10086	1.0
212.08328	1.5
213.09000	1.0
214.09888	6.3
215.07016	6.5
215.10385	0.8
217.08604	5.6
217.12041	0.8
218.09354	13.7
218.11719	4.0
219.10143	3.5
220.10919	1.9
227.10724	1.0
230.09355	2.8
232.11029	2.4
233.08052	5.0
233.11621	4.2
235.09541	1.1
235.13179	3.8
245.08038	1.4
245.11690	6.5
245.15369	0.9
245.22641	0.7
248.10490	0.9
263.12759	100.0
263.16898	7.5
263.23892	8.5
263.66461	0.7
264.13150	0.7
277.16449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
55.01849	1.0
62.36994	0.5
67.05476	1.6
69.07063	19.6
69.70173	4.2
72.08157	0.8
79.05502	3.7
81.07037	2.0
91.05478	5.2
93.07024	1.9
95.04936	1.1
95.08595	2.2
98.21462	1.1
103.05006	0.4
103.05458	5.2
105.07015	9.7
106.02263	0.6
107.04939	1.3
107.08565	2.0
109.06516	3.4
109.10116	0.7
111.08063	0.7
115.05444	2.5
117.03355	0.6
117.07005	1.9
118.04143	1.9
119.04948	4.6
119.08570	1.6
121.06458	0.8
121.10114	1.3
123.04424	1.5
123.08071	1.2
131.04915	3.3
131.08516	0.7
131.15373	0.6
133.06480	7.3
133.10063	0.8
135.04405	0.7
135.08034	1.0
136.05165	0.7
137.05980	0.9
143.04909	0.6
143.08592	0.9
145.02815	2.7
145.06435	1.2
146.03621	2.3
147.04411	7.7
147.11723	0.7
149.05940	1.1
149.13191	0.9
151.07503	3.1
157.06505	0.6
157.10085	0.8
161.05975	11.3
161.09520	0.8
163.04037	0.5
164.04707	1.5
171.08055	0.5
174.03134	1.5
175.03911	1.2
175.07516	1.1
175.11252	0.6
177.05460	7.7
179.07004	1.6
187.07533	2.7
188.04799	0.7
189.05455	29.1
192.04079	1.1
195.06516	1.3
195.08060	3.1
203.07001	2.6
203.10606	1.0
207.06517	100.0
215.07056	2.7
227.10658	7.6
245.11734	26.7
263.12601	3.1
263.17221	2.8
263.20126	1.7
270.78329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
55.01854	1.3
55.05492	1.6
57.07047	0.6
58.15348	0.6
67.05494	3.0
69.07060	23.7
71.63263	0.7
71.63651	0.5
72.08131	1.1
79.05479	4.3
81.07050	6.6
83.04957	0.5
83.08597	1.3
91.05482	7.0
93.07029	4.4
95.04932	2.0
95.08605	6.8
97.02872	0.7
97.06508	0.8
99.76004	0.6
103.05434	4.3
105.05946	0.7
105.07027	10.5
105.07704	0.4
107.04913	1.3
107.08585	4.2
109.06506	4.3
109.10117	2.4
111.04400	0.7
112.98338	0.6
115.05441	4.8
116.98650	0.7
117.03355	0.9
117.06999	2.5
118.04099	1.1
119.04926	5.2
119.08549	2.5
121.10143	2.9
123.04409	1.4
123.08046	1.8
125.09615	0.8
128.06216	0.7
129.06958	1.3
131.04916	2.4
131.08556	1.4
133.06473	7.7
133.10139	1.2
135.04367	0.9
135.08072	1.2
135.11684	1.9
135.36456	0.5
137.05930	2.3
137.13213	0.7
141.06949	0.6
142.07770	0.8
143.04852	1.1
143.08551	0.7
145.02847	3.7
145.06430	1.6
145.10075	0.9
146.03508	1.9
147.04414	10.0
147.11655	1.1
149.05995	1.0
149.09497	0.7
149.13219	1.0
151.07503	3.5
155.04880	0.8
157.06516	0.7
157.10069	1.0
159.04314	0.9
159.08067	0.9
161.05959	11.1
161.09616	0.8
161.13237	0.9
163.03888	0.6
163.07474	0.7
163.14789	0.9
164.04594	1.1
165.05446	0.6
171.11763	0.7
174.03116	1.7
175.03885	1.3
175.07532	0.9
175.14795	1.5
177.05460	8.8
178.05743	1.1
179.07034	1.6
185.09607	0.7
187.07515	3.7
189.05446	31.5
189.09068	1.0
191.11772	0.8
192.04106	1.3
195.06509	2.0
195.08063	2.6
199.14758	0.9
203.07059	2.9
203.10643	2.0
204.07742	0.7
207.06503	100.0
215.07045	2.4
227.10628	7.2
245.11703	27.9
245.15372	1.3
245.22710	0.8
249.02666	1.1
263.05560	0.7
263.09161	2.6
263.12448	4.9
263.17343	4.0
263.20099	3.0
263.23682	1.4
277.37988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1275
Annotation	Anhydroverlotorin-4alpha,5beta-epoxide
Peak:m/z	Relative Intensity
55.05503	0.7
56.05019	0.6
57.07058	0.6
58.06588	0.4
58.07375	0.3
61.45214	0.4
63.26113	0.3
67.05484	1.2
69.07045	0.9
70.35818	0.3
71.03590	0.5
71.03938	0.7
72.08136	0.8
74.06042	0.7
79.05482	0.9
81.07036	1.5
83.04964	0.4
88.07623	1.6
89.07953	0.7
91.05463	1.4
93.07018	1.5
95.04973	0.8
95.08581	1.3
105.06998	1.2
107.08570	1.0
109.06499	0.5
109.10138	0.8
115.05435	1.0
116.06276	0.5
117.07005	0.7
118.08733	0.4
119.04884	0.5
119.08566	1.0
121.06551	0.5
121.10113	0.9
128.06212	1.0
129.06996	3.5
130.07692	0.4
131.04924	0.6
131.08556	2.7
133.06459	0.8
133.10100	0.8
135.08034	0.6
135.11688	0.5
141.06981	1.4
142.07748	0.9
143.04852	0.8
143.08516	1.7
144.05731	1.1
145.06462	1.8
145.10097	0.6
147.04379	1.4
147.08070	0.9
147.11684	0.4
149.05975	0.4
149.09581	0.4
151.07483	0.4
153.06934	0.6
155.08556	0.3
156.05688	0.4
157.06453	3.2
157.10115	0.7
158.07289	1.9
159.08052	9.2
160.05226	0.6
160.08868	0.4
161.05942	0.8
161.09605	1.6
166.06271	0.6
167.07011	0.7
168.05605	0.4
169.06477	1.4
170.07234	0.7
171.04349	0.7
171.08032	1.8
172.08827	1.1
173.05972	2.0
173.09590	3.1
174.06755	3.5
175.07552	4.3
176.08298	0.9
177.05496	0.7
177.09094	1.0
178.05797	0.5
179.07031	0.5
181.08611	0.7
183.08054	1.2
184.08879	0.4
185.05975	0.6
185.09657	0.7
186.06750	1.8
187.07529	13.3
188.08269	3.9
189.03928	0.3
189.05432	2.1
189.09094	11.7
190.09816	0.4
191.07042	1.5
192.07729	0.6
197.05806	0.4
199.07501	4.0
200.08258	0.5
201.05519	0.4
201.09099	4.0
202.06149	1.1
202.09868	28.5
203.07016	10.2
203.10596	5.5
204.07756	1.1
204.11449	11.5
205.08586	2.4
205.12192	0.7
206.09303	0.5
207.06566	0.4
207.10110	0.7
212.08401	0.8
214.09865	6.6
215.07016	5.6
215.10568	0.5
215.21974	3.4
217.08582	5.2
217.12085	0.5
218.07243	0.6
218.09375	11.5
219.10150	2.8
220.10896	2.1
230.09377	2.3
231.10170	0.4
232.11034	2.3
233.08107	1.8
233.11722	4.3
235.09584	0.9
235.13242	3.9
245.08084	1.0
245.11690	6.1
245.15294	0.8
248.10518	0.5
263.12759	100.0
263.17313	3.0
263.24048	10.3
264.13046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00806	2.9
65.07533	3.4
70.90081	10.9
72.08167	7.2
83.17325	3.0
85.02864	3.3
85.97318	3.1
98.27750	3.4
100.07608	6.2
101.00888	10.7
114.49042	2.9
119.01929	23.3
119.04927	4.7
122.05971	3.8
131.01906	11.7
132.04462	4.0
143.01894	31.1
146.08115	7.8
147.04359	19.3
149.02885	4.2
155.01901	7.3
157.03471	3.5
161.02951	84.4
161.04305	4.4
163.02948	3.6
163.83998	3.6
173.02934	27.8
184.54149	3.5
185.02895	4.9
191.03941	17.3
191.11766	13.3
203.04022	19.7
218.11745	4.1
222.68486	3.2
233.04968	4.6
254.65065	3.9
263.01657	100.0
263.05341	27.5
263.13507	4.3
263.17740	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81126	29.1
69.81552	29.6
83.08396	8.6
94.41985	8.5
102.28252	9.5
162.72585	9.6
191.11697	12.1
216.44102	9.5
216.83040	9.4
245.56732	9.5
263.01675	100.0
263.17487	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1436
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
55.01865	0.3
55.05506	1.5
63.02378	0.3
70.06562	0.1
71.29476	0.2
78.04771	0.1
84.08133	0.5
86.09693	0.5
89.03906	3.7
91.05487	0.4
91.06023	0.1
93.07038	0.2
95.04976	0.1
103.05460	0.2
106.04176	0.3
112.07603	0.6
117.03371	17.7
119.04961	0.2
124.05243	0.1
131.05011	0.2
134.03609	1.3
135.04396	1.2
137.06012	0.3
145.02835	54.9
146.03212	0.1
149.05968	6.0
151.51367	0.1
158.06035	0.4
162.03079	0.3
163.03925	0.8
177.05455	100.0
178.05804	0.5
186.05489	2.3
188.31589	0.1
202.05762	0.2
215.26241	0.1
219.10075	0.2
237.67509	0.1
244.10378	0.3
247.12114	0.2
262.14362	39.0
263.14651	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	262.1436
Annotation	Ruprechstyril
Peak:m/z	Relative Intensity
50.75906	0.4
51.26975	0.3
55.05502	1.4
59.35792	0.3
69.03408	0.5
69.36724	2.2
69.37146	1.5
84.08141	0.7
86.09687	0.8
89.03905	3.4
91.05461	0.4
102.19103	0.3
106.04171	0.3
112.05867	0.4
112.07609	0.6
114.10203	0.4
117.03370	16.5
134.03621	1.1
135.04422	1.8
137.06091	0.5
138.97780	0.3
145.02837	52.4
146.03172	0.5
147.04366	0.8
149.05969	6.4
163.03903	0.8
177.05457	100.0
178.05814	0.6
186.05463	1.2
202.35664	0.4
221.04509	0.4
245.04494	0.6
262.14368	38.9
263.05490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
63.02371	0.3
65.57603	0.2
70.68549	0.3
70.68946	0.3
84.08143	0.5
86.09695	0.7
89.03910	4.4
91.05480	0.4
97.46535	0.2
97.98463	0.2
103.05478	0.2
106.04174	0.2
107.50635	0.2
112.07597	0.5
117.03374	18.8
134.03629	1.7
135.04443	1.1
137.05952	0.5
142.64871	0.2
145.02835	54.9
146.03262	0.2
149.05972	6.8
154.31445	0.2
158.05992	0.4
160.80188	0.2
162.03101	0.3
163.03877	1.0
177.05460	100.0
178.05827	0.4
186.05492	1.7
200.20210	0.2
262.14365	39.0
263.14737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
51.85581	0.7
53.03933	2.5
55.05508	11.2
57.03411	1.1
57.07070	3.7
58.34126	0.7
65.03922	2.0
65.57441	0.6
67.05501	34.2
69.06715	0.9
69.07063	9.5
70.87436	1.4
70.87779	0.8
71.04978	1.2
71.08628	1.1
79.05489	48.8
81.07055	39.4
83.04984	0.9
83.08610	5.2
85.06542	3.2
87.87883	0.6
91.04902	1.2
91.05476	25.6
93.07040	66.0
95.04958	5.3
95.08599	29.5
96.08906	0.7
97.06540	2.7
97.10139	2.5
97.21318	0.6
99.08106	3.5
100.45696	0.6
105.07028	15.7
107.08588	40.6
109.06495	1.8
109.10149	12.5
111.08080	2.5
111.11760	0.6
113.09617	1.2
117.06999	5.3
119.08573	10.1
121.10139	37.4
123.08061	1.9
123.11691	4.2
125.09605	1.2
127.87788	0.6
129.07001	0.8
131.08559	13.7
133.10127	11.1
135.11688	28.3
137.09633	0.9
137.13272	1.4
137.96507	0.6
145.10123	11.3
147.11674	9.6
149.13248	19.9
151.11177	0.6
153.12747	0.7
159.11687	7.5
161.13252	9.2
163.11160	0.6
163.14816	14.8
165.12808	1.0
168.09900	0.6
173.13249	9.1
175.14822	4.8
177.16389	4.4
179.14331	0.8
187.14821	6.2
201.16344	2.4
205.15926	1.0
215.17961	1.6
219.17397	1.0
233.22621	1.6
243.21082	26.2
261.22134	100.0
262.22433	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.96524	1.9
55.05510	11.5
57.07061	3.5
63.37047	1.6
67.05169	2.1
67.05502	31.2
69.07061	13.9
70.00517	8.7
71.04966	4.7
79.05486	33.9
81.07050	42.6
82.73595	1.7
83.04978	3.0
83.08603	6.3
85.06516	3.4
91.05473	23.1
93.07041	46.8
95.04963	3.6
95.08601	32.7
97.06524	4.0
97.10171	2.7
99.08073	3.9
105.07039	18.8
107.08583	33.2
109.06516	2.4
109.10159	14.4
111.08054	3.9
117.07013	7.3
119.08585	18.4
121.10140	35.4
123.08074	1.7
123.11691	5.0
125.09602	2.8
131.08562	18.2
133.10141	16.0
134.28804	1.5
135.11681	29.0
137.09561	2.9
137.13217	2.6
145.10121	22.6
147.11679	14.2
149.13246	15.1
159.11697	18.4
161.13240	10.9
163.14818	14.3
165.12723	1.9
171.47357	1.6
173.13275	16.3
175.14786	5.9
177.16367	4.9
179.09131	2.1
187.14857	10.2
201.16370	5.0
203.17816	1.8
215.17932	59.8
216.18240	3.5
217.19444	2.8
243.17429	2.2
243.21066	48.4
261.13126	3.4
261.15948	4.0
261.18561	19.5
261.22128	100.0
262.14404	6.7
262.22382	2.5
268.81290	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	1.1
55.01861	0.6
55.05503	7.8
57.03429	0.9
57.07074	2.6
59.04976	0.2
62.37049	0.2
65.03945	1.1
67.05497	25.6
68.05824	0.3
69.03400	0.3
69.07059	7.8
69.99039	1.4
71.04988	1.6
71.08620	1.1
77.03924	0.6
79.05483	33.5
79.64750	0.2
79.74986	0.2
81.03413	0.3
81.07047	31.0
82.06921	0.2
82.07388	0.4
83.04973	0.8
83.08602	5.1
85.06534	2.6
85.10178	0.5
89.78901	0.2
91.05469	17.0
93.07031	46.1
94.07373	0.4
95.04967	3.7
95.08595	23.3
97.06524	2.7
97.10153	2.0
98.21460	0.3
99.08086	2.5
105.04555	0.4
105.07017	11.7
107.04938	0.3
107.08581	31.1
107.57189	0.2
109.06507	1.4
109.10145	9.3
111.08088	2.3
111.11711	0.5
113.09644	0.8
117.07017	4.2
119.07927	0.2
119.08569	10.4
121.10128	28.8
123.08070	1.2
123.11694	3.6
123.13852	0.2
125.09616	0.9
129.06989	0.3
131.08549	9.3
133.10115	9.3
135.11678	24.0
136.12009	0.3
137.09604	0.9
137.13228	0.7
139.11191	0.6
143.08618	0.4
145.10103	9.8
147.10477	0.4
147.11665	8.2
149.09601	0.6
149.13243	20.0
150.13629	0.4
151.11172	0.6
151.14845	0.6
153.12733	0.9
159.11674	8.9
161.13248	8.4
163.14798	15.3
164.15164	0.4
165.12758	0.9
173.11732	0.4
173.13242	8.1
175.14796	3.4
177.12759	0.3
177.14806	0.3
177.16360	4.9
179.14281	1.0
182.09132	0.2
185.13235	0.3
187.14804	6.2
187.16412	0.4
189.16408	0.8
191.14340	0.6
195.61375	0.2
201.16350	2.2
203.17957	0.4
205.15903	0.8
215.17911	1.6
217.19537	0.5
219.17445	0.6
233.22658	1.0
243.21059	26.4
244.21431	0.8
261.22107	100.0
262.14377	0.7
262.22455	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.4
52.70732	0.4
53.03930	1.3
55.01865	0.5
55.05257	0.7
55.05503	8.6
57.03415	1.2
57.07066	3.1
65.03922	1.3
66.94343	0.4
67.05497	27.0
69.07056	9.1
69.35086	0.4
69.49431	3.8
71.04980	1.6
71.08603	1.1
77.03932	0.5
79.05482	38.9
81.03423	0.4
81.07048	31.6
82.59924	0.4
83.04955	0.8
83.08612	5.1
85.06541	2.3
91.05470	19.4
93.07033	51.9
95.04961	3.9
95.08598	24.8
97.06487	2.4
97.10152	1.6
99.08079	3.0
105.04513	0.4
105.07023	13.1
107.08582	35.5
108.08910	0.5
109.06501	2.2
109.10141	10.8
111.08051	1.9
113.09631	0.9
117.06976	4.4
119.08563	12.7
121.06516	0.5
121.10131	31.5
122.10445	0.5
123.08070	0.9
123.11694	3.9
124.13441	0.4
125.09566	0.5
127.11123	0.4
131.08557	10.8
133.10109	9.7
135.11674	24.8
137.09624	0.8
137.13206	1.3
139.11078	0.6
143.08505	0.7
145.10107	9.8
147.11679	8.3
149.13245	19.2
151.11159	0.4
151.14755	0.8
153.12737	0.7
159.11655	8.1
161.13264	7.4
163.11182	0.6
163.14803	13.1
164.15109	0.4
165.12726	1.0
171.11688	0.6
173.13235	8.4
175.14825	3.2
177.12727	0.6
177.16371	4.0
179.14281	1.3
187.14809	6.3
189.16531	0.6
191.14371	0.6
201.16365	2.2
203.17928	0.6
205.14087	0.7
205.15833	0.5
215.17949	1.0
217.19525	0.8
219.17448	0.5
226.40407	0.4
233.22649	1.5
243.21063	26.8
243.60846	0.4
244.21355	0.9
261.03925	0.5
261.16425	3.3
261.22110	100.0
262.22443	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	0.9
55.01874	0.5
55.05507	9.9
57.03427	1.2
57.07072	3.2
57.31253	0.3
65.03929	0.9
65.56227	0.3
67.05502	29.2
68.42858	0.3
69.07063	8.8
70.89805	0.9
71.04990	1.9
71.08617	1.0
75.90189	0.3
77.03934	0.4
79.05487	39.2
80.05809	0.5
81.03387	0.4
81.07053	34.8
82.07394	0.4
83.04986	0.8
83.08617	5.1
85.06539	2.4
85.10183	0.4
91.05474	19.4
93.07037	53.1
94.07409	0.4
95.04964	4.8
95.08598	25.8
97.06519	2.0
97.10168	2.3
99.08076	2.7
105.04573	0.5
105.07026	13.0
107.04938	0.4
107.08587	35.6
108.08945	0.5
108.63709	0.3
109.06518	1.9
109.10144	11.2
111.08070	2.4
111.11717	0.5
113.09634	1.0
115.44239	0.4
117.07011	5.5
119.08576	11.9
121.10135	33.1
122.00730	0.3
122.10395	0.3
123.08038	1.6
123.11703	3.7
125.09634	0.7
127.11141	0.5
129.07002	0.4
131.07573	0.4
131.08566	10.7
133.10115	9.1
135.11684	26.3
137.09587	1.2
137.13242	1.2
139.11154	0.9
144.09453	0.3
145.10117	11.6
145.11259	0.6
147.11684	8.6
149.09648	0.6
149.13248	21.0
149.65599	0.3
151.11160	0.8
151.14769	0.6
153.08839	0.3
153.12724	0.6
159.11682	7.5
161.13254	8.8
163.14812	16.1
165.12766	0.5
172.13805	0.3
173.11775	0.4
173.13254	8.0
175.14828	3.6
177.12758	0.3
177.16365	4.2
179.14297	1.2
184.20146	0.3
186.89595	0.3
187.14793	6.9
189.16347	0.6
191.14299	0.4
193.15871	0.6
201.16338	2.5
205.15903	0.6
215.17902	1.3
217.19511	0.6
219.17422	1.1
233.22647	1.5
242.93614	0.3
243.21068	25.0
244.21384	0.8
261.22119	100.0
262.22418	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01868	0.7
55.05225	0.5
55.05504	9.8
57.03419	1.7
57.07072	3.5
58.55250	0.4
65.03929	1.2
65.41850	0.4
67.05499	30.3
69.07057	9.2
71.04974	1.8
71.08597	1.2
77.03883	0.7
79.05489	37.6
81.03401	0.7
81.07051	35.8
82.07372	0.6
83.04979	1.0
83.08614	5.4
85.06540	2.8
91.05474	20.5
93.07037	53.5
95.04951	3.6
95.08598	27.6
95.09231	0.7
97.06512	2.3
97.10156	2.2
99.02201	0.5
99.08077	2.6
105.04498	0.7
105.07019	13.9
107.04939	0.5
107.08586	34.4
107.50263	0.5
108.08908	0.5
109.06487	2.2
109.08992	0.6
109.10143	12.4
111.08064	1.8
111.11719	0.6
113.09629	1.3
115.05518	0.5
117.07008	5.0
119.08570	11.6
121.06536	0.6
121.10134	31.6
123.08018	1.4
123.11702	3.1
125.09615	1.0
129.06941	0.6
131.08565	12.8
133.10121	10.8
135.08009	0.8
135.11682	26.3
137.09596	1.3
137.13228	1.2
143.08548	0.8
145.10110	11.5
147.11684	9.1
149.09601	0.6
149.13248	21.1
151.11147	0.5
151.14774	0.8
153.12749	1.2
159.11676	8.5
160.21179	0.5
161.13228	9.9
161.14575	0.6
162.72371	0.5
163.11185	0.7
163.14812	16.5
165.12769	1.1
165.16434	0.7
173.13239	8.6
175.14772	3.0
177.16374	4.3
179.14365	1.1
187.14806	6.6
189.16367	1.1
201.16331	2.2
205.15828	1.2
215.17941	1.4
217.19492	0.5
219.17374	1.0
229.27914	0.7
233.19121	0.5
233.22478	1.0
243.21063	26.4
261.03922	0.7
261.13055	1.4
261.16003	7.2
261.22122	100.0
262.14392	0.6
262.22336	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	1.5
55.01863	0.7
55.05508	10.2
57.03430	1.1
57.06844	0.3
57.07073	3.3
59.04978	0.4
65.03925	1.3
67.05499	32.3
69.07063	10.1
70.29645	0.3
71.04985	1.7
71.08614	1.2
77.03902	0.4
79.05487	42.1
80.05818	0.4
81.03420	0.4
81.07051	35.9
83.04983	0.6
83.08617	5.7
85.06540	2.6
91.05472	20.3
93.07035	59.8
94.07365	0.7
95.04967	4.3
95.08596	26.1
97.06508	2.6
97.10166	2.7
98.21503	0.8
99.08078	3.0
103.05476	0.4
105.04514	0.5
105.07020	14.2
106.07381	0.4
107.08585	37.8
108.08899	0.5
109.06531	2.1
109.10149	11.8
111.08071	3.0
111.11720	0.5
113.09653	0.8
117.07007	5.1
119.08573	13.5
121.10133	33.3
122.10439	0.6
123.08041	0.9
123.11704	3.9
125.09639	0.9
127.11201	0.3
130.92148	0.4
131.08553	12.4
133.10117	10.3
135.08060	0.5
135.11678	27.7
136.11989	0.4
137.09604	1.4
137.13242	1.2
139.11177	0.7
143.08577	0.4
145.10115	12.2
147.11676	8.7
149.09663	0.4
149.13245	22.8
150.13533	0.6
151.11131	0.6
151.14806	0.6
153.12746	0.6
159.11682	10.4
161.13245	9.9
163.14807	17.5
164.15094	0.5
165.12743	0.9
165.16461	0.6
173.13257	7.9
175.14825	3.5
177.16360	5.2
179.14282	1.4
187.14801	5.5
189.16388	0.7
201.16386	2.2
203.17932	0.5
205.15802	0.7
215.17896	1.8
217.19420	0.6
219.17395	0.9
233.22696	1.0
241.19244	0.4
243.21065	28.5
244.21466	0.8
261.22122	100.0
262.22418	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	261.1846
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
53.03921	0.8
55.01860	0.9
55.05262	0.8
55.05506	8.6
56.96542	1.0
57.03431	4.9
57.07058	1.8
63.19212	0.7
65.03949	0.7
67.05167	0.9
67.05496	11.2
69.07064	11.4
70.23390	3.6
71.04975	2.7
72.08134	0.9
73.06537	1.7
79.05490	10.1
81.07045	14.0
83.04939	1.4
83.08615	3.4
85.02884	1.3
85.06535	2.0
91.05473	25.9
93.06544	1.0
93.07049	12.3
95.04949	2.7
95.08042	1.1
95.08601	14.7
97.06506	2.0
98.21486	0.9
99.08068	1.6
103.05441	1.1
105.07026	34.2
107.04932	1.8
107.08595	9.0
109.06512	1.8
109.10139	3.0
111.08040	0.9
113.05990	1.3
115.05423	1.2
117.07018	8.5
119.08570	31.7
121.06481	2.1
121.10135	4.9
123.08062	1.3
129.06982	5.6
130.07813	0.8
131.08545	12.1
133.10121	17.3
135.08031	2.9
135.11678	2.0
141.06950	2.0
143.08548	4.1
145.06427	1.0
145.10109	16.7
147.07993	2.1
147.11667	14.4
149.09627	3.1
155.08522	1.8
157.10132	4.8
158.97232	0.8
159.10451	0.9
159.11690	17.4
161.09584	1.8
161.13245	6.8
163.11127	1.6
165.09073	1.6
169.10101	4.7
171.11670	10.0
173.09653	2.1
173.13202	2.8
175.11205	1.1
179.10677	1.2
183.11644	2.6
185.13248	1.6
187.11153	1.8
187.14854	4.5
189.12721	6.8
191.10716	1.5
197.13225	1.8
199.14760	2.5
201.12610	1.2
201.16357	2.2
203.14351	1.0
205.12251	1.7
205.15807	1.6
215.14384	1.9
215.17987	4.3
225.16324	7.8
243.10242	1.2
243.17432	12.8
243.19928	1.0
243.21048	1.6
254.68005	0.8
261.03839	1.3
261.07474	1.6
261.16000	8.7
261.18475	100.0
262.18845	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	261.1596
Annotation	FENSPIRIDE
Peak:m/z	Relative Intensity
55.01870	0.2
56.96549	0.5
57.03418	0.3
58.06593	2.1
69.03392	0.4
69.96311	1.1
70.06219	0.2
70.06577	1.0
72.08146	0.5
75.11820	0.2
79.05486	0.5
80.05001	0.5
81.03440	0.2
81.07024	0.4
82.06564	0.5
84.08151	1.0
85.08463	0.3
91.05460	0.5
93.07005	0.5
94.06553	1.3
96.04481	1.2
96.08119	0.5
97.02847	0.3
98.21387	0.2
98.97537	0.4
105.07035	0.3
106.06390	0.2
107.34975	0.2
108.08138	0.2
109.05257	0.2
110.06032	0.4
110.09686	0.4
112.07596	0.2
113.03455	0.3
114.09172	1.1
116.98627	0.3
117.06982	0.3
118.02841	0.3
119.01857	0.3
120.08060	0.2
122.06013	2.5
122.09652	0.8
126.05486	0.7
131.01901	0.3
132.04419	0.7
133.03506	0.2
133.05128	0.3
134.05998	0.5
134.09668	1.5
135.08020	0.4
136.11169	0.2
146.05984	1.7
146.09621	0.2
147.04390	0.2
148.03828	0.4
148.07547	2.7
148.11174	0.8
152.10680	0.8
157.04379	0.3
158.05980	0.5
158.09631	0.4
159.06778	0.3
160.07552	0.6
161.02916	0.2
162.09132	0.6
163.08615	0.2
166.12199	0.9
168.08046	0.3
171.05020	0.3
172.07556	0.8
172.11253	0.5
174.09134	0.4
175.82753	0.2
177.10223	6.9
182.09573	0.2
183.06798	0.2
185.08372	0.2
186.09137	2.6
188.10693	0.7
189.06139	0.2
189.10197	0.4
195.04713	0.6
197.08446	0.3
198.09079	0.9
200.10675	4.0
202.12245	0.2
212.10634	0.6
214.12294	0.4
216.10201	1.0
218.11745	2.5
221.05095	0.4
229.13261	0.3
230.11693	0.6
231.14871	0.5
237.02837	0.2
243.14972	1.5
259.14441	0.3
261.09592	2.2
261.15958	100.0
262.16287	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	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
56.00785	0.4
56.96564	2.8
57.03407	1.2
58.06588	1.7
61.02913	0.5
62.82449	0.3
68.05003	0.5
69.03407	1.3
70.06589	1.6
70.22662	1.5
70.23062	0.6
72.08150	3.7
73.02897	0.4
79.05475	0.5
84.08145	3.9
85.02871	1.2
86.09687	1.5
89.10773	0.3
91.05434	0.5
94.06560	1.6
96.04504	1.8
96.08136	1.7
96.60691	0.4
97.02878	0.4
98.05999	0.4
98.97581	3.1
100.07595	0.5
101.00864	0.4
110.06007	0.5
110.97548	0.7
111.71739	0.3
112.99184	0.3
113.00827	0.4
113.03477	1.5
114.09164	2.7
115.02421	0.3
115.03907	0.6
116.98600	1.5
119.01924	1.2
119.04922	0.4
120.76901	0.3
122.06019	2.9
122.09653	0.6
124.07605	0.4
126.05515	0.5
128.98598	1.0
130.08620	0.9
131.01910	1.0
132.04454	0.9
133.03435	0.6
133.05063	0.4
134.09631	1.2
134.99670	0.6
140.07053	0.4
140.98735	0.4
143.01924	0.3
145.03429	0.7
146.05983	1.6
146.99637	0.3
147.04434	1.7
148.03792	1.8
148.07549	3.3
148.11118	0.5
155.01944	0.4
157.04420	1.1
158.99666	0.8
159.05043	0.7
159.06735	0.4
160.07645	0.7
161.01166	0.4
161.02980	0.7
163.03874	0.4
166.12233	0.6
170.99619	0.5
171.02771	0.5
172.07637	0.5
173.01357	0.3
173.02960	0.9
177.00748	0.8
177.10208	8.2
185.08322	0.5
186.09140	2.0
187.00340	0.4
188.10768	0.5
189.00739	0.7
189.06108	0.6
189.10236	0.7
190.08624	0.6
195.04712	1.4
198.09209	0.9
200.10703	2.4
201.00633	0.4
205.05472	0.9
216.10127	0.5
218.11696	1.9
219.01749	0.9
219.12051	0.4
221.05103	1.2
229.03156	5.8
231.14870	0.6
237.02812	1.1
243.04739	0.8
243.14906	1.3
259.14478	0.4
261.03290	0.8
261.05804	21.5
261.09409	24.3
261.15964	100.0
262.16245	0.5
279.03860	0.6
279.09341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.058
Annotation	Suprofen
Peak:m/z	Relative Intensity
56.96557	1.8
57.87949	0.8
63.00056	0.6
69.70800	5.1
70.06608	1.1
72.08145	2.2
84.08137	2.1
85.02917	1.2
86.09705	4.5
98.06023	1.0
98.21469	1.3
98.97575	2.8
99.04432	0.8
102.05515	0.7
114.05560	0.9
116.07172	0.9
119.01910	1.5
124.07594	1.0
124.09822	0.7
125.07073	0.8
133.03433	1.0
137.18620	0.7
142.08658	1.1
169.01103	2.1
171.02640	1.2
177.10150	1.0
201.00549	1.0
201.03709	2.3
229.03186	29.9
237.02834	2.1
243.04799	4.4
243.13483	1.0
243.31923	1.0
245.43250	0.7
261.05823	100.0
261.09418	25.6
261.16092	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	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.3
70.20650	0.4
70.21056	0.7
82.99877	0.2
98.21313	0.3
98.96924	0.2
98.97575	4.2
101.00875	0.7
116.98605	4.8
119.01908	7.0
120.97935	0.2
121.01684	0.2
128.98584	0.3
134.99657	4.0
137.02946	3.0
153.00764	0.8
158.99811	0.5
161.02899	0.4
170.99652	0.2
175.02965	0.2
177.00931	14.4
178.01042	0.6
179.00674	0.3
182.99860	0.5
189.00803	0.2
193.04025	0.2
195.01965	0.7
200.02521	0.3
201.00835	0.9
217.04070	2.9
218.03610	0.4
219.01981	23.2
220.02089	0.8
221.01740	1.2
225.00786	2.1
237.02655	0.6
242.03677	0.5
243.00116	0.1
243.01965	6.9
261.03027	100.0
262.03186	4.1
263.03436	0.6
278.97141	0.3
279.00494	3.9
279.03366	0.3
284.04593	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	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05502	12.2
57.03429	9.5
57.07050	5.1
67.05499	14.1
69.07069	11.1
69.57086	12.3
69.57488	3.8
69.80773	1.8
71.04977	2.1
73.27744	1.9
79.05483	15.5
80.03977	1.8
81.07055	14.8
83.08600	8.4
85.06535	2.8
91.05466	32.4
93.07039	14.6
95.08585	17.4
97.10174	3.7
99.08069	4.0
105.03345	4.0
105.07021	59.3
107.08539	10.1
109.10128	5.5
111.11700	2.8
115.05405	2.8
117.07005	35.1
119.07784	3.3
119.08569	41.9
121.10139	11.5
123.08044	3.0
123.11696	2.1
125.09544	2.0
128.06181	4.3
129.07030	18.2
129.54196	1.9
131.08551	53.0
133.10118	58.9
135.11670	6.1
137.09570	2.1
142.07785	3.9
143.08565	19.7
145.10101	45.1
147.11665	35.1
149.13231	3.9
155.89894	1.8
156.09352	3.1
157.10104	12.5
159.11671	84.4
161.13220	13.7
163.11148	3.6
171.11674	27.2
173.13234	48.9
175.14836	8.3
185.13240	24.7
187.14815	39.7
190.95345	2.0
199.14801	22.3
201.16360	2.7
213.16357	6.7
215.17796	2.6
231.21237	3.2
231.25072	4.0
241.19495	47.1
259.14716	13.8
259.20554	100.0
259.24448	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	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05506	10.9
57.07061	4.5
59.42485	2.3
65.08997	2.3
67.05497	12.1
69.03453	2.0
69.07066	32.5
69.33864	28.0
71.04991	26.3
76.15595	2.2
79.05462	2.8
81.07054	21.3
83.04969	3.1
83.08599	8.3
85.06534	20.7
86.36906	2.1
91.05482	11.9
93.07038	14.7
95.04970	2.9
95.08609	19.7
97.06499	6.1
98.21441	4.7
105.07016	25.9
107.08580	18.8
109.06490	10.6
109.10164	18.2
111.08078	18.1
117.06977	9.0
118.45518	2.5
119.07782	4.4
119.08578	56.6
121.10170	13.1
121.24572	2.1
123.11696	23.3
131.08582	13.7
133.10129	35.8
135.08046	20.6
135.11670	3.4
137.09613	4.3
143.08549	9.7
144.09418	2.3
145.10124	35.2
145.50505	2.8
147.11684	20.1
148.84219	2.1
149.09637	3.3
149.13246	3.1
156.09319	5.7
157.10069	13.7
159.11671	25.9
160.12427	2.8
161.09636	3.9
161.13261	38.2
163.11208	3.3
171.11705	16.6
173.13261	9.4
175.11249	5.0
175.14822	100.0
176.15515	5.4
177.12772	3.6
177.16400	3.5
185.13293	14.0
189.12756	2.8
189.16368	10.2
199.14807	3.7
201.16370	24.1
203.14333	11.4
215.17978	6.4
217.19539	3.8
236.60011	2.4
241.19499	20.9
253.07368	2.3
259.14526	5.3
259.20563	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1439
Annotation	Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]
Peak:m/z	Relative Intensity
53.02454	0.2
55.01862	1.7
55.05502	0.5
55.60935	0.2
57.03434	0.5
58.06577	0.3
58.28998	0.2
67.05495	0.9
69.03416	0.6
69.07064	2.6
69.62855	0.5
69.63274	1.2
69.82140	0.2
70.06573	0.5
71.04961	0.3
79.05486	2.3
81.07036	0.5
82.06560	0.2
83.04971	0.2
83.69164	0.2
84.08138	8.0
85.06509	0.2
86.09701	1.9
89.03899	1.0
91.05453	0.4
95.04971	0.2
95.08564	0.4
96.08074	0.2
97.02906	0.2
97.06525	15.9
98.09687	0.3
103.05477	0.4
105.03360	0.4
105.06991	0.3
107.08603	0.4
109.05256	3.3
109.06419	0.2
109.10126	0.4
110.06028	0.4
117.03365	0.5
118.06532	0.3
119.08579	0.2
120.08096	1.4
122.06023	5.1
123.04424	0.6
128.06186	0.2
129.06953	0.2
130.06491	1.0
131.04913	0.3
131.07341	0.3
132.04449	0.2
133.02843	0.8
133.05193	1.2
134.06000	1.6
135.04408	1.1
143.08557	0.2
145.02837	0.9
146.05997	11.1
146.11772	0.3
147.04404	0.5
147.06781	1.8
148.07562	11.6
149.08353	0.5
157.10155	0.2
159.04416	0.6
159.06786	2.7
159.42992	0.2
160.07567	1.0
161.02336	3.2
161.06018	0.3
161.08339	0.6
163.03900	7.3
163.08609	0.4
167.08490	0.2
172.11153	0.4
173.02328	6.6
174.05508	0.8
175.08684	0.6
176.07062	9.8
190.11008	1.0
195.08110	0.3
200.10677	1.2
202.12154	0.5
205.09685	0.4
215.07014	7.7
215.09094	0.4
217.09692	0.7
218.10249	2.5
228.10083	0.4
229.08603	0.6
231.14908	0.2
241.08638	0.8
250.09462	0.7
259.09744	4.7
259.14401	100.0
260.14694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71411	0.4
67.14421	0.4
69.07073	0.6
69.35298	4.1
70.99027	0.3
72.04478	0.4
79.05473	0.7
80.05006	0.5
84.08128	1.0
93.07028	0.4
95.08563	0.5
97.06527	2.6
110.06001	0.6
122.05977	0.7
122.09656	2.8
130.06543	0.6
132.04475	0.5
137.07164	0.4
146.06029	0.9
147.04407	0.5
157.08833	0.7
160.07501	0.4
163.03860	1.5
168.79095	0.4
172.07530	0.5
172.11192	4.6
173.02354	0.8
174.09113	1.4
198.09195	0.5
200.10696	15.5
202.12282	1.7
214.12251	1.5
215.06987	1.5
216.10088	0.6
229.13408	1.7
231.14853	3.8
241.08530	0.5
241.13330	0.5
259.14410	100.0
260.14670	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	259.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02454	0.2
55.01862	1.7
55.05502	0.5
55.60935	0.2
57.03434	0.5
58.06577	0.3
58.28998	0.2
67.05495	0.9
69.03416	0.6
69.07064	2.6
69.62855	0.5
69.63274	1.2
69.82140	0.2
70.06573	0.5
71.04961	0.3
79.05486	2.3
81.07036	0.5
82.06560	0.2
83.04971	0.2
83.69164	0.2
84.08138	8.0
85.06509	0.2
86.09701	1.9
89.03899	1.0
91.05453	0.4
95.04971	0.2
95.08564	0.4
96.08074	0.2
97.02906	0.2
97.06525	15.9
98.09687	0.3
103.05477	0.4
105.03360	0.4
105.06991	0.3
107.08603	0.4
109.05256	3.3
109.06419	0.2
109.10126	0.4
110.06028	0.4
117.03365	0.5
118.06532	0.3
119.08579	0.2
120.08096	1.4
122.06023	5.1
123.04424	0.6
128.06186	0.2
129.06953	0.2
130.06491	1.0
131.04913	0.3
131.07341	0.3
132.04449	0.2
133.02843	0.8
133.05193	1.2
134.06000	1.6
135.04408	1.1
143.08557	0.2
145.02837	0.9
146.05997	11.1
146.11772	0.3
147.04404	0.5
147.06781	1.8
148.07562	11.6
149.08353	0.5
157.10155	0.2
159.04416	0.6
159.06786	2.7
159.42992	0.2
160.07567	1.0
161.02336	3.2
161.06018	0.3
161.08339	0.6
163.03900	7.3
163.08609	0.4
167.08490	0.2
172.11153	0.4
173.02328	6.6
174.05508	0.8
175.08684	0.6
176.07062	9.8
190.11008	1.0
195.08110	0.3
200.10677	1.2
202.12154	0.5
205.09685	0.4
215.07014	7.7
215.09094	0.4
217.09692	0.7
218.10249	2.5
228.10083	0.4
229.08603	0.6
231.14908	0.2
241.08638	0.8
250.09462	0.7
259.09744	4.7
259.14401	100.0
260.14694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1439
Annotation	Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]
Peak:m/z	Relative Intensity
69.07068	0.3
69.35303	3.2
69.35635	0.6
71.81921	0.3
72.04493	0.3
81.07001	0.3
84.08131	0.7
84.32991	0.3
85.21407	0.3
90.37090	0.3
93.06994	0.4
95.08578	0.4
97.06545	0.7
104.43044	0.3
110.06021	0.8
118.06493	0.5
122.05984	0.7
122.09658	3.1
126.05490	0.6
130.06538	0.8
132.04485	0.4
133.24411	0.3
137.07129	0.4
146.06010	1.8
148.07574	0.5
157.08841	0.5
159.34174	0.3
160.07605	0.6
163.03877	0.4
172.07536	0.5
172.11195	6.6
173.02414	0.4
174.09097	1.9
182.09511	0.3
185.08377	0.6
186.09149	0.4
188.10674	1.0
198.09140	0.7
200.10687	20.6
202.12206	2.6
212.10724	0.4
214.12202	2.1
216.10127	0.6
229.13300	3.0
231.14880	4.2
259.14395	100.0
260.14755	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	259.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
55.05494	1.6
67.05490	0.7
69.03414	0.6
69.07047	1.4
70.00433	1.2
70.00842	0.9
70.06554	0.4
72.04503	1.9
72.08154	0.8
74.20323	0.4
79.05468	1.4
81.07036	0.7
84.08124	1.3
87.27647	0.5
89.03895	0.6
91.05472	0.6
93.07016	0.8
94.06551	0.4
96.04475	0.8
97.02856	0.8
97.06521	6.1
98.21352	0.8
105.07024	0.5
109.05177	0.4
110.06058	0.6
111.91628	0.4
117.05700	0.6
118.06547	0.5
120.08105	0.4
122.06010	1.0
127.03902	0.4
130.06480	0.5
131.08612	0.5
132.04424	0.6
132.08086	1.1
133.05299	0.4
134.05920	0.5
135.04431	0.7
137.02321	0.6
139.03934	0.7
141.06981	0.5
142.06511	1.1
142.07651	0.5
143.08572	0.4
145.05197	0.7
146.06000	12.9
147.04379	1.4
147.06763	0.8
148.07549	3.8
157.10146	0.4
158.05977	2.2
159.04388	1.0
160.07576	16.3
161.02356	1.4
162.09218	0.7
163.03918	2.8
165.06921	0.4
173.02328	2.3
174.05423	0.5
174.09195	0.9
175.03868	0.9
176.07039	1.9
187.07458	0.6
188.07079	0.6
189.10225	8.9
193.05005	2.7
195.07988	0.7
197.06020	1.0
200.10692	2.5
202.12250	1.1
205.09706	8.0
213.09109	0.9
215.07007	4.8
217.09732	18.8
231.14876	0.5
235.10728	5.9
241.08559	8.5
259.09732	6.9
259.14407	100.0
260.14694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12510	0.5
53.03937	0.9
55.01857	0.8
55.05502	1.9
55.48471	0.5
56.05032	0.9
56.96566	0.8
57.03426	2.9
65.03929	0.6
67.05489	1.0
69.03413	1.5
69.07053	1.1
70.06574	1.6
70.07162	0.5
70.75060	1.0
70.75434	1.1
71.04983	1.1
72.08154	10.2
75.04486	0.8
78.04685	2.3
79.05484	1.7
81.03422	1.8
81.07040	0.9
83.04955	0.9
84.04478	1.2
84.08131	1.6
85.01100	0.7
85.02891	1.7
86.09700	0.9
86.78241	0.4
91.05470	1.0
93.07048	1.0
95.04967	3.1
95.08578	0.6
97.02884	1.8
97.06537	1.7
98.06038	1.3
98.09687	1.5
98.97585	0.6
99.04449	0.6
101.05988	0.6
105.03386	1.6
105.07026	1.4
106.04166	3.7
107.04951	2.3
109.02866	1.9
109.10153	0.7
110.03649	0.8
110.06027	1.1
111.04414	1.2
112.07558	0.6
113.06001	0.4
117.06998	0.5
119.04921	0.7
120.08087	0.5
121.06476	0.8
121.10122	0.8
123.04417	8.7
123.08056	0.5
124.05242	2.5
127.03870	1.2
127.07552	2.8
128.06166	0.5
134.03648	3.7
134.99622	0.7
135.04422	0.7
137.02321	1.0
137.05968	1.2
138.03099	4.8
139.03925	0.7
140.04671	10.0
141.05466	4.7
145.02792	0.6
147.04404	1.3
149.02339	0.5
149.06053	0.9
150.09106	0.5
151.03891	1.6
152.04697	5.7
153.05472	1.9
155.03363	1.7
155.07022	9.7
156.08354	1.2
156.10237	1.3
157.10083	0.7
163.03923	1.3
167.07036	100.0
168.07361	1.1
169.04936	1.1
170.05742	43.1
171.04535	0.7
171.06049	0.7
173.08118	1.0
177.05379	0.7
183.06523	2.1
185.08092	0.7
190.90652	0.5
199.14851	0.8
200.10872	0.7
215.07065	0.7
231.06573	1.0
241.10710	1.1
242.12881	0.7
250.64140	2.1
251.14252	0.7
259.06134	0.9
259.11057	3.8
259.14508	5.6
267.60950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Demethylvestitol
Peak:m/z	Relative Intensity
51.08253	0.1
53.00304	0.1
53.03931	0.2
55.01866	0.7
56.96548	0.2
57.07067	0.6
58.06623	0.1
65.03924	0.3
67.05499	2.0
67.40366	0.1
68.99786	3.2
69.07065	0.1
69.43935	0.1
69.44265	1.2
71.08626	0.3
72.08152	1.8
73.08477	0.2
79.05502	0.7
81.07049	3.0
84.40002	0.1
90.09188	1.8
91.05470	0.7
93.07026	1.4
95.04960	4.2
103.05471	1.2
105.07018	0.2
107.04937	0.5
109.06561	0.2
116.67026	0.1
119.08582	0.2
121.06496	4.7
123.04416	100.0
124.04727	0.6
129.06978	0.1
131.04926	0.4
131.08508	0.2
133.10136	0.2
137.05977	0.9
143.08566	0.1
147.04410	0.2
149.05968	18.2
150.06319	0.2
161.06017	0.2
236.08815	0.4
258.27902	6.9
259.09619	2.5
259.14276	0.3
259.20551	0.4
259.28253	4.7
264.87393	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	259.0964
Annotation	Emmotin D
Peak:m/z	Relative Intensity
53.03933	0.3
53.28244	0.2
55.01852	0.4
55.05508	0.4
61.58427	0.2
65.03934	0.2
67.05487	0.3
68.99775	0.5
69.03410	0.3
69.07048	0.7
70.42052	0.4
70.42445	0.6
71.04965	0.4
72.08125	0.4
74.92620	0.2
78.25980	0.2
79.05485	2.2
81.03388	0.5
81.07032	0.2
81.16541	0.2
85.02870	0.5
91.05036	0.2
91.05480	2.1
95.04941	0.5
97.02861	0.3
97.06520	2.0
98.97527	0.2
103.05455	2.0
105.06373	0.3
105.07015	3.7
107.04942	0.5
107.08544	0.2
109.10136	0.2
115.05414	0.2
116.98630	0.2
119.04930	0.9
119.08525	0.2
121.02824	0.9
121.10157	0.2
124.57426	0.2
127.03878	0.2
128.06200	0.8
128.98611	0.2
129.06970	0.5
131.04015	0.3
131.04915	2.9
135.04353	0.5
137.02321	10.9
141.06992	0.6
142.07739	0.3
143.08569	1.8
145.10176	0.2
146.05977	0.4
147.04398	10.5
149.02318	3.9
152.06151	0.5
155.08556	0.2
157.06485	0.7
157.10060	0.8
158.06044	0.2
159.04355	0.2
160.05174	0.2
160.07578	0.4
161.02348	0.5
161.05960	0.3
163.03886	1.3
165.06958	0.3
167.03366	0.5
167.08548	1.5
169.06499	0.4
170.07288	0.3
171.08046	2.7
173.02283	0.9
173.05899	0.2
175.03891	8.8
177.06996	0.2
183.08032	0.4
184.05174	0.3
185.05916	0.8
185.09543	1.0
187.03899	0.3
193.04947	44.4
194.05226	0.4
195.08047	1.8
197.05922	0.9
198.06790	1.4
199.07462	0.8
199.14777	0.2
200.04572	1.2
213.05499	1.6
213.09073	4.0
215.07008	2.6
216.06494	0.4
217.09721	0.3
223.07504	1.2
224.08275	0.2
225.05469	0.2
226.06213	4.1
231.06516	0.8
238.04875	0.2
239.07076	1.1
241.08565	100.0
242.08945	1.1
259.09647	40.5
259.14255	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	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01860	0.9
55.05500	2.2
56.05024	2.2
56.96563	4.0
57.03428	1.1
57.07051	0.3
58.06590	1.0
61.02916	1.9
67.05495	1.2
68.05036	0.9
69.03425	2.2
69.07052	0.9
69.15470	0.3
69.62759	2.4
69.63165	0.8
70.06587	6.4
71.01342	0.3
71.04984	0.7
72.08150	10.6
73.02906	0.9
73.06541	1.0
73.08474	0.8
79.05457	0.3
81.03403	1.4
81.07076	0.6
82.06586	1.3
83.06096	0.5
84.04498	19.2
84.08134	72.7
84.96036	0.4
85.02914	3.1
85.06525	0.4
85.08477	0.7
86.06069	0.7
86.09694	3.2
87.04459	0.5
89.10780	1.1
91.05468	1.3
92.04885	0.4
94.06546	0.7
95.04951	0.8
95.06060	0.7
96.04472	0.6
96.08130	0.8
97.02878	3.4
97.06528	1.3
98.02403	0.5
98.03131	0.6
98.06039	1.5
98.09680	1.5
98.97569	1.9
100.02203	2.1
100.03971	0.4
100.07582	0.5
101.10771	1.6
102.05553	0.5
104.10725	0.7
105.07008	0.5
107.04942	0.9
107.46519	0.4
108.04500	0.7
109.02871	0.8
110.07150	2.5
110.09675	0.5
111.04421	0.3
111.05579	0.4
111.09175	1.3
112.05096	0.6
112.07601	0.6
112.11239	0.5
113.05979	0.7
114.05516	0.7
115.08700	0.9
116.07082	0.5
116.98603	1.8
117.03356	0.4
119.01836	0.9
119.04945	2.5
121.02825	0.4
121.06464	0.5
122.06022	0.6
124.03904	0.5
124.07626	0.4
124.11192	0.6
125.05935	0.5
126.05508	2.4
126.09132	0.7
127.03913	0.7
128.02325	0.4
128.07079	0.4
128.98647	0.4
129.10226	100.0
130.04990	4.7
130.06497	0.3
130.10544	0.5
131.03607	0.5
132.04402	0.4
133.01752	0.5
134.99623	1.1
135.04413	0.9
138.05449	0.8
138.09152	0.7
140.07030	1.3
141.05444	0.9
142.04921	0.5
142.08643	0.4
143.00148	0.3
145.02824	1.2
146.02686	2.3
146.03833	0.6
146.99664	0.5
147.04388	7.8
148.04756	0.8
149.05913	0.3
150.09122	0.5
152.07030	0.4
155.04640	3.0
155.54785	0.5
158.99635	1.0
161.01192	0.7
161.04628	1.5
163.02724	0.5
163.03908	3.1
164.05162	1.0
166.08539	0.4
166.55415	0.6
168.06522	1.5
170.05173	3.0
170.55261	0.5
176.10648	0.7
177.00688	1.1
177.04210	1.3
177.05472	2.1
178.04843	0.6
181.55936	1.0
184.09631	0.6
186.06454	1.0
186.11154	0.5
187.03902	0.5
193.04924	0.6
194.12985	0.5
195.05304	1.3
195.11270	2.6
198.11177	0.8
199.07465	0.4
212.03731	0.8
212.10393	0.7
212.14027	2.3
213.06873	0.4
216.12267	1.0
218.11755	1.2
219.05125	0.8
226.01570	0.5
228.12289	2.0
230.11816	0.5
231.03052	0.4
234.11192	1.0
234.98924	0.7
235.14294	0.6
237.02670	0.5
240.08620	1.4
240.13306	2.5
241.03314	0.4
241.09036	0.4
241.11848	1.2
241.15451	0.6
248.12799	0.5
248.99210	0.4
249.06198	0.8
249.63297	0.6
258.04175	0.7
258.08600	3.7
258.13989	9.6
258.17072	2.0
258.58646	0.8
259.04141	0.9
259.07666	0.5
259.14575	2.4
259.17285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37005	0.4
55.05496	0.8
56.05016	0.6
56.21119	0.4
56.96559	1.3
57.03433	4.3
57.07062	1.8
58.06597	0.8
60.08165	3.1
61.02909	1.4
67.05490	1.4
68.05012	1.0
69.03421	3.0
70.06600	2.9
70.15379	2.4
71.04971	1.3
71.07341	0.8
72.08151	5.0
73.02905	2.1
81.03416	1.2
81.04535	1.4
82.05311	1.7
82.06577	0.4
83.06102	6.7
84.04507	1.7
84.08144	4.8
85.02902	7.0
85.06548	6.7
86.06013	0.5
86.09702	6.9
87.04455	0.9
87.32204	0.5
93.04526	4.1
95.06081	14.4
96.04490	0.7
97.02888	6.2
98.09669	1.4
98.97574	1.9
98.98451	1.2
99.04426	0.7
100.07601	0.5
100.99139	0.5
101.00896	0.6
102.05550	0.7
104.10741	41.2
109.02882	1.7
109.07607	3.7
110.07159	54.5
111.02965	0.6
111.05571	2.4
111.07475	0.6
112.05133	0.7
112.08717	1.9
114.05547	0.6
116.07056	0.9
116.98595	1.3
119.01915	2.4
123.05572	0.8
124.03958	2.1
125.00002	9.2
126.04507	0.6
126.05527	0.8
126.06622	1.6
126.09135	1.3
127.03905	2.2
127.05028	1.8
129.10252	2.4
131.01866	0.7
133.03410	1.0
134.99651	0.5
138.09129	2.6
143.01953	0.8
145.03517	0.5
145.04924	0.7
146.99696	0.7
147.04338	1.1
148.04893	0.6
152.07056	0.8
155.08047	0.5
156.07690	3.7
157.03439	0.8
161.03027	1.0
161.05502	3.0
165.00726	0.5
166.09831	0.6
166.12781	0.5
168.04509	0.8
168.06519	1.6
168.10161	0.7
170.06041	2.0
170.08121	2.8
171.04135	1.1
173.02997	1.2
178.04842	1.2
183.07645	0.9
184.07318	4.0
184.09949	0.5
184.12012	2.5
185.12906	1.0
186.04689	0.8
186.11238	2.4
187.10818	0.6
189.00703	0.7
189.55772	0.6
191.03960	1.0
197.12704	3.8
198.11209	3.0
198.14955	0.6
212.10381	3.5
212.13928	57.0
213.12346	2.8
213.14177	0.8
214.15479	2.4
215.00574	0.5
216.12297	6.4
233.05257	0.9
233.08733	0.6
240.16016	0.6
241.15442	1.1
253.07838	1.2
258.11020	12.0
258.14502	100.0
258.17047	12.1
259.09589	0.5
259.12866	1.5
259.17270	0.7
276.09290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.00636	1.0
55.05510	4.6
55.93171	0.9
57.07053	1.5
59.04971	1.2
67.05498	4.7
69.07055	3.8
69.25913	0.8
71.04977	3.7
71.14274	2.0
72.08132	2.8
75.33134	0.9
79.05490	6.0
81.07047	6.4
82.88456	1.0
83.04957	1.5
83.08591	1.8
85.06531	3.2
91.05466	9.7
93.07040	16.1
95.04963	4.4
95.08600	10.8
97.06493	1.3
103.05463	1.9
105.07026	21.6
106.07780	1.2
107.08591	16.9
109.06488	7.1
109.10146	10.5
111.08076	2.8
115.05378	1.1
115.38436	0.9
116.98622	0.9
117.06995	5.2
119.07779	1.5
119.08576	18.9
119.66098	0.9
121.10134	66.2
122.10477	1.1
123.04470	1.2
123.08040	3.5
123.11717	1.4
128.06219	1.8
129.07022	4.3
130.07822	1.0
131.08566	9.6
133.10124	11.5
135.08035	22.4
135.11665	3.7
137.09602	4.1
141.07002	1.4
142.07774	4.2
143.08549	14.2
144.09319	1.5
145.10107	15.1
147.04340	0.9
147.08043	1.1
147.11647	3.0
149.09596	3.8
151.11195	1.9
155.08531	5.2
156.09315	3.0
157.10115	17.9
158.10869	2.3
159.08043	1.5
159.11667	17.8
161.09589	2.0
161.13242	2.0
163.11151	3.3
168.09380	2.2
169.10086	9.8
170.10860	2.6
171.11661	10.4
173.09689	1.4
173.13257	18.3
174.13957	1.5
175.11182	2.8
175.14853	1.7
177.12756	2.2
182.10901	1.7
183.11676	8.6
184.12459	2.4
185.13326	1.6
187.11211	4.6
187.12962	0.8
187.14722	4.3
189.12712	2.9
197.13252	7.0
199.14810	32.2
201.12692	6.2
209.13345	1.1
210.13997	1.1
211.14713	1.8
213.16382	9.5
214.03917	1.2
214.17068	2.4
215.14337	2.4
215.17880	6.9
224.15479	1.1
238.62953	1.3
239.17946	14.5
242.16405	1.0
257.18979	100.0
257.26358	4.4
258.19418	2.0
258.27850	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	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.62874	1.4
50.74081	1.1
55.01863	1.5
55.05508	8.5
57.03421	1.9
57.22958	1.2
57.61900	1.2
58.32829	1.2
66.11810	1.1
67.05167	1.8
67.05497	20.7
69.03401	1.3
69.07053	5.7
70.00526	1.4
70.79778	3.9
70.80135	1.8
71.04972	4.6
72.08141	5.3
72.72669	1.1
79.05489	11.5
81.07041	12.2
81.43429	1.2
83.04970	2.9
83.08610	2.4
85.06558	2.6
88.07613	1.4
91.05470	18.7
91.47768	1.5
93.07046	15.7
95.04942	5.4
95.08598	13.9
97.06513	2.4
99.08105	1.3
103.05451	1.9
105.07015	25.9
107.04966	1.4
107.08578	13.1
109.06514	4.8
109.10139	10.6
109.26723	1.2
111.08094	3.9
114.10290	1.4
115.05457	2.2
116.06240	1.7
117.06998	23.6
119.08558	18.4
121.06490	2.4
121.10133	65.0
123.08031	4.5
123.11707	2.1
128.06212	4.2
129.06114	2.2
129.06992	19.4
130.07758	2.7
131.08559	48.1
133.10098	11.5
133.98866	1.3
135.08031	17.2
135.11679	2.9
137.09586	5.6
141.06975	8.7
142.07764	4.5
143.08549	27.2
144.09232	1.2
145.06459	2.6
145.10117	58.2
147.04384	4.5
147.11714	6.3
148.04750	2.6
149.06105	1.2
149.09605	3.3
154.07745	3.4
155.08536	8.9
156.09315	2.4
157.10120	22.2
158.10730	1.4
159.11673	29.6
161.13185	1.9
163.11160	5.2
167.08588	2.7
168.09351	1.6
169.10126	13.3
170.10837	2.2
171.11673	24.3
173.09583	1.7
173.11821	0.9
173.13226	20.1
175.11171	2.4
177.12709	1.6
181.10089	1.9
182.10916	1.8
183.11678	25.1
185.13283	6.0
187.11134	3.5
187.14787	3.4
189.12659	2.6
195.11652	2.2
197.13261	16.4
197.44188	1.3
199.14844	25.4
199.16663	1.2
201.12656	2.1
210.13942	1.6
211.14758	3.2
213.16336	8.1
214.17128	2.3
215.14383	1.6
215.17937	3.6
218.11838	1.6
229.06055	1.6
229.19453	4.4
239.15677	2.4
239.17926	32.3
257.05627	2.5
257.18982	100.0
257.22458	4.7
257.26614	6.7
257.29910	1.5
258.19351	3.1
258.27997	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	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	4.6
56.97190	0.6
57.03432	15.4
57.07067	0.8
65.03947	1.0
67.05497	12.0
69.07063	4.9
70.66227	0.6
70.66555	1.7
71.04975	1.0
71.73610	0.6
72.08110	0.7
79.05489	6.7
81.07051	9.1
83.04961	0.5
83.08607	3.3
85.06522	1.9
88.07632	0.6
89.61723	0.5
91.05471	14.0
93.07050	6.3
93.09010	0.6
95.04949	1.8
95.08597	9.4
97.06538	1.3
97.10168	0.7
99.08076	5.9
99.53234	0.5
103.05438	1.1
105.07017	12.4
107.04967	0.7
107.08575	4.3
109.06496	2.5
109.10145	2.1
111.08085	1.0
115.05451	3.2
115.06126	0.6
116.06189	1.0
117.07014	29.6
119.07785	0.8
119.08573	10.2
121.10143	3.4
123.04427	14.9
124.04768	0.9
128.06204	4.2
129.06998	23.5
130.07788	2.8
131.08559	27.1
131.80254	0.5
133.06577	0.6
133.10106	5.2
135.08055	0.7
135.11662	0.8
141.06972	5.0
142.07764	3.9
143.08553	21.3
144.09293	2.2
145.06474	0.9
145.10109	47.1
147.04381	1.8
147.08022	1.1
147.11679	4.7
149.09583	1.0
153.06972	1.0
154.07753	0.9
155.08546	5.4
156.09302	1.4
157.10112	23.1
159.11679	38.7
161.09624	2.1
161.13228	1.8
163.11128	1.2
168.09271	1.1
169.03552	0.9
169.10117	12.9
170.10913	1.9
171.11673	9.1
173.09634	1.6
173.13260	15.6
175.11195	2.0
183.11670	11.5
185.13243	71.3
186.13602	0.9
187.11089	1.9
187.14697	1.2
189.12642	0.8
195.11574	0.6
197.13260	9.5
198.13869	0.7
199.14798	3.0
201.12761	1.2
201.16406	5.0
210.13985	1.4
211.14912	2.7
213.16409	1.0
215.17966	0.7
229.19446	5.0
239.17920	22.8
257.08099	1.8
257.18985	100.0
257.26465	5.9
258.19373	1.8
258.27951	4.2
264.72000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.36116	0.9
55.01864	1.1
55.05511	7.4
57.03437	8.7
57.07057	1.7
67.05161	1.3
67.05497	17.3
69.07069	7.0
70.29601	0.8
71.04964	1.8
71.61975	0.7
71.62426	1.1
72.08142	2.2
73.08511	0.9
79.05484	8.2
81.07046	14.7
83.04974	1.2
83.08602	4.3
85.02840	0.9
85.06518	2.7
91.05473	16.6
93.07044	9.6
95.04953	1.8
95.08596	17.1
96.89306	0.8
97.06536	1.5
97.10150	1.2
99.08069	6.3
103.05447	0.8
105.07024	12.9
107.04932	2.1
107.08596	4.1
109.06499	2.1
109.10125	3.6
111.04444	0.8
111.08079	2.4
115.05464	2.7
116.06262	1.7
117.07009	37.2
119.04894	0.9
119.08569	10.1
121.10160	4.1
123.04418	2.8
125.09634	1.4
128.06192	5.9
129.06993	24.8
130.07756	4.2
131.08559	41.8
133.10106	6.1
135.11714	1.1
141.06963	5.7
142.07793	5.9
142.12303	1.0
143.08549	20.3
144.09325	2.9
145.10110	63.2
146.10493	1.3
147.04399	2.6
147.08008	1.2
147.11644	4.5
149.09604	1.4
149.13223	1.0
153.06953	1.1
154.07747	2.3
155.08542	8.3
156.09326	2.4
157.10118	34.5
159.11685	97.8
160.12019	1.9
161.09625	2.2
161.13309	2.2
163.11157	1.3
167.08466	1.0
168.09331	1.6
169.10104	14.9
170.11034	1.4
171.11670	15.7
173.09625	1.4
173.13245	19.6
173.14667	1.3
175.11160	2.1
175.14751	0.9
181.10071	1.1
182.10919	2.1
183.10107	0.7
183.11662	16.6
183.13217	1.5
185.13239	50.3
186.13651	1.5
187.11214	1.7
187.14856	1.3
193.08517	0.9
197.13225	15.1
199.14732	2.1
201.12724	1.5
201.16412	2.0
210.14009	2.4
211.14763	6.4
212.88283	0.9
213.16373	1.9
215.14302	2.1
229.19354	4.1
239.17926	34.3
250.01999	0.9
257.05505	1.5
257.08087	3.5
257.18991	100.0
258.19296	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0807
Annotation	Lespedezol F1
Peak:m/z	Relative Intensity
53.03955	0.1
55.01863	0.5
55.05492	0.3
55.85272	0.1
56.28878	0.1
60.05641	0.2
65.03937	0.3
67.05499	4.2
68.99780	0.4
69.07048	0.3
69.88137	1.0
71.10649	0.1
72.08147	1.8
73.08483	0.2
79.05497	0.3
81.03415	0.2
81.07067	0.3
85.06542	0.2
86.09676	0.2
91.05465	0.9
93.07051	0.2
95.01393	0.2
95.04959	5.3
95.08624	0.5
97.06520	0.2
98.97556	0.2
105.06986	0.2
107.04942	1.6
107.08572	0.4
109.10152	0.5
110.02406	0.2
111.04421	0.3
114.10297	0.4
116.98596	0.3
119.04903	1.3
119.05536	0.1
119.08600	0.3
120.05239	0.2
121.10117	0.2
123.04418	100.0
124.04757	0.6
131.08586	0.2
133.10121	0.2
135.04417	1.0
135.08047	0.3
141.06932	0.3
141.60013	0.3
147.04398	12.8
147.11679	0.3
148.04704	1.0
148.11293	0.1
152.07076	0.2
153.07034	0.2
157.10150	0.2
163.03880	1.3
165.07039	0.3
173.05910	0.2
177.00618	0.3
187.07538	0.3
201.08986	0.4
211.07562	0.4
218.11806	0.5
219.12125	0.5
229.06316	0.3
229.08530	1.3
236.97261	0.2
239.07018	0.3
256.65805	0.2
257.08081	9.6
257.12573	0.4
257.16525	1.4
277.16608	0.3
278.16818	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	257.0806
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
50.11633	0.4
53.03930	1.0
55.05498	2.1
57.07077	0.6
60.08214	0.4
61.15822	0.5
62.06062	0.6
65.03929	0.8
67.05505	3.6
68.99773	1.7
69.03420	1.0
69.07055	1.4
71.03473	0.9
71.03812	0.6
71.04974	1.4
72.08147	2.7
79.05471	1.7
81.03402	5.8
81.07050	4.5
83.04964	1.5
83.08605	0.8
85.06551	0.9
91.05470	7.7
93.07037	1.3
95.04978	3.3
95.08589	2.4
97.02859	0.7
97.06540	0.6
101.02355	0.5
103.48527	0.4
105.07005	1.7
107.04933	5.4
107.08580	1.9
109.02870	0.9
109.06512	0.7
109.10156	3.2
111.04424	2.0
114.10257	0.8
117.03381	3.1
117.06992	1.2
119.04930	16.1
119.08533	2.2
121.02876	0.6
121.10114	1.2
123.04403	8.0
123.08019	0.8
123.11701	0.7
127.03911	1.0
128.06163	0.6
129.06996	0.6
131.08553	2.3
133.06485	0.6
133.10106	1.4
135.04391	1.3
135.11646	0.7
137.02321	100.0
138.02705	0.5
141.07008	0.8
143.08562	1.2
145.06548	0.5
145.10124	3.9
147.04395	40.4
147.11646	1.7
148.04758	1.8
155.03387	2.0
155.08580	1.3
157.10069	1.7
159.11690	1.9
161.13281	0.7
163.03871	2.7
165.06947	2.4
165.12753	0.8
168.35286	0.5
169.06377	0.7
169.10039	1.0
171.08035	0.9
171.11696	1.7
173.05942	1.3
173.13245	1.3
183.08046	0.9
183.11676	0.5
187.07487	1.0
187.14760	0.4
197.05939	1.1
197.13170	1.3
199.14819	1.3
203.14214	0.5
211.07489	5.5
213.05486	0.6
215.07014	0.6
215.14322	0.5
218.11810	0.7
219.11974	0.6
221.18881	0.5
229.05043	1.7
229.08348	0.5
239.07005	5.0
239.18071	2.1
242.05649	3.3
257.08057	92.4
257.18991	5.7
257.22571	1.6
257.26468	0.5
258.08340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
51.02409	0.3
55.05499	0.4
55.12928	0.3
58.54121	0.3
67.01863	5.5
67.05495	0.6
68.99783	2.6
69.03419	0.8
70.19894	1.6
72.08128	1.5
79.05485	2.3
81.03397	0.6
81.07034	0.3
91.05463	3.0
95.04968	0.6
97.02886	1.3
99.01839	0.3
100.67898	0.3
103.05460	17.6
105.03395	0.6
105.07046	0.4
107.04962	2.4
110.34560	0.3
111.00820	1.0
119.08606	0.3
123.04428	1.3
127.03897	0.5
129.01837	1.0
129.06995	0.3
130.15358	0.3
131.04924	38.3
132.05292	0.6
141.06995	0.3
141.59990	0.5
142.10109	0.4
145.06474	0.8
147.04414	1.2
147.08037	0.4
148.04735	0.4
151.03908	2.3
152.07010	0.4
153.01822	92.5
154.02115	0.6
159.11678	0.4
166.07294	0.3
171.02885	19.4
173.05968	1.8
173.56894	0.3
179.03374	1.0
191.07077	0.9
197.05989	0.4
213.06506	0.4
215.07135	1.6
218.11813	0.3
239.06996	0.7
257.08081	100.0
258.08514	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	256.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.3
56.96550	5.6
57.03436	22.9
59.04993	6.8
61.02927	11.9
69.03416	6.1
70.06595	2.3
71.01347	5.3
71.04981	6.7
71.46648	2.3
73.02914	12.5
75.04473	1.7
75.26547	1.6
80.05006	1.8
81.03422	2.6
83.01331	2.3
84.08136	2.2
85.02905	22.0
87.04469	9.6
89.02374	5.2
91.03956	1.3
96.04471	2.4
97.02877	6.6
98.97517	2.2
99.04475	1.9
100.07620	2.0
101.02380	22.9
102.42341	1.4
109.02856	2.4
110.07143	3.8
111.00769	1.7
113.02357	2.1
115.02450	2.2
115.03918	27.4
116.98602	1.9
118.03496	1.6
118.28713	1.4
119.01862	4.2
123.05547	11.3
124.03952	100.0
124.05871	11.8
125.04316	1.6
127.01525	2.2
127.03905	5.8
129.01828	29.3
131.01933	2.8
133.03430	4.1
133.04993	9.0
134.05995	1.7
134.99591	1.5
137.02872	1.7
138.05507	28.0
138.71863	1.3
143.02136	1.7
143.03384	13.3
145.04936	5.7
146.08061	2.6
146.99667	2.0
147.02893	3.3
147.04381	3.6
150.01721	1.6
152.07066	4.6
157.01321	21.8
161.03050	3.2
161.04431	25.0
161.05666	1.9
163.06023	3.8
166.08624	2.8
171.02853	10.1
175.02400	3.7
189.02243	4.0
189.03932	80.1
194.08105	6.0
196.07190	2.8
203.05492	21.3
205.01807	2.0
210.12321	2.6
212.09128	4.2
221.06572	9.1
224.07654	2.6
233.01361	3.9
238.06972	1.9
251.02516	9.5
256.03012	9.2
256.08258	7.2
256.12100	2.6
256.26337	6.6
274.03973	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	257.0805
Annotation	BAUHINOXEPIN J
Peak:m/z	Relative Intensity
52.88306	1.4
53.03939	2.2
54.40862	1.6
55.01858	3.2
55.05491	6.7
57.07074	2.4
60.05655	1.5
67.05488	4.9
68.99786	14.4
69.03404	3.5
69.07043	4.4
70.11533	6.9
71.04978	2.0
71.22557	1.4
72.08157	13.2
73.08463	2.3
79.05479	5.6
81.07060	8.6
83.04977	22.1
83.08635	2.2
85.02882	4.5
85.06532	5.0
86.60609	1.5
91.05461	6.4
93.07022	7.4
95.04975	4.4
95.08591	7.2
97.02875	2.0
98.20832	1.9
103.05479	3.2
105.07004	4.3
106.06376	2.0
107.04951	84.5
107.08574	6.7
109.06548	2.3
109.10163	8.5
111.00797	39.3
111.04420	10.7
114.10291	4.4
119.04937	5.2
119.08534	3.5
120.05247	2.2
121.02866	2.2
121.06500	2.8
121.10139	5.5
123.04390	1.8
123.11634	2.3
127.03898	2.1
128.06169	2.5
131.04926	57.3
131.12912	3.0
132.05690	2.2
133.10089	1.7
135.04372	2.4
135.11668	4.4
139.03891	18.5
141.59930	1.9
142.10112	2.7
145.06447	9.6
145.83221	1.4
147.04417	22.1
147.08038	27.4
147.11664	1.9
148.04744	8.1
149.02362	2.9
149.13226	2.5
151.07471	2.0
153.05463	6.2
153.07031	1.9
155.08536	2.4
163.03905	14.7
163.14806	2.5
165.06981	3.5
169.06497	2.7
171.08066	4.0
173.05980	26.1
183.08049	8.9
187.07565	3.7
191.17935	6.6
195.09108	2.1
203.17943	2.7
209.19023	2.7
211.07541	7.4
213.08604	1.7
215.06956	2.9
218.11752	3.3
219.11903	2.8
227.20068	3.2
229.08524	9.5
239.06987	6.4
243.08618	1.8
256.65582	3.8
257.08041	100.0
257.16058	3.0
277.16559	5.1
278.16867	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	256.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21379	0.9
55.01867	6.2
55.05496	1.5
56.96551	1.3
57.03437	15.8
57.07065	1.8
57.26687	0.9
59.04980	3.8
61.02934	7.1
64.23959	0.8
64.39967	0.9
68.67001	0.9
69.03419	5.4
69.07053	1.3
70.06598	1.4
71.01346	4.5
71.04978	3.2
71.10378	0.8
71.60003	1.0
71.60391	1.1
72.08128	0.8
73.02917	9.6
75.04453	0.9
79.05457	1.1
80.05016	1.6
81.03397	1.8
83.01340	1.4
83.04976	1.1
84.04482	1.0
84.08105	1.5
85.02895	23.8
87.04475	6.9
89.02372	3.3
91.03951	0.9
94.06590	2.1
96.04444	1.2
97.02872	7.1
99.04414	1.3
99.40771	1.2
99.90826	0.8
100.02480	0.9
101.02374	10.5
103.03936	2.3
107.03250	1.1
109.02885	2.1
109.07632	1.5
110.06047	1.5
110.07204	2.0
111.53623	0.9
113.02402	1.4
115.02395	3.8
115.03924	17.3
117.17988	0.9
119.01902	2.9
119.03392	1.5
121.80468	0.8
123.05544	9.1
124.03947	100.0
124.05847	9.8
126.05443	1.7
127.03928	6.2
128.27789	0.9
129.01836	16.5
131.01877	1.1
131.03465	1.0
133.03444	4.1
133.04936	8.1
134.06046	1.5
138.05492	22.1
143.03389	8.1
145.03517	1.1
145.04945	9.0
146.08136	1.7
147.02875	2.8
147.04362	2.1
152.07033	3.3
157.01326	11.4
157.03442	1.5
161.03070	1.7
161.04443	15.1
163.05992	3.9
166.08623	1.1
171.01543	1.3
171.02823	4.6
175.02464	2.2
189.03929	49.6
194.08061	4.2
196.07164	3.4
200.04187	1.1
203.05484	12.6
205.01729	1.3
210.12476	1.9
212.03979	1.5
212.09138	2.1
218.11819	1.1
221.06561	6.1
228.10187	1.4
230.05101	1.0
233.01347	4.5
238.07181	1.0
239.11040	1.2
245.05034	1.3
251.02509	10.5
256.02985	8.6
256.08102	7.7
256.12775	4.4
256.15436	1.6
256.26331	8.1
274.04031	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	256.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.05495	1.1
56.96548	1.3
57.03432	7.4
59.04982	1.5
60.05634	0.6
61.02924	3.6
67.28521	0.4
69.03423	5.5
70.06575	0.9
71.01337	1.9
71.02624	0.7
71.02995	0.8
71.04984	1.0
72.08150	6.3
72.65104	0.3
73.02910	5.9
73.29533	0.3
75.04477	0.4
80.05007	1.5
81.03403	1.1
81.16810	0.3
84.04494	1.0
84.08126	1.3
84.96000	0.4
85.02894	13.3
85.06522	0.5
86.03687	0.4
86.09657	0.4
87.04455	2.4
89.02405	0.7
91.03946	0.6
91.05470	1.5
95.06061	0.7
96.04473	1.1
97.02883	3.7
97.07661	0.5
98.06057	0.4
98.97595	1.0
101.00844	0.4
101.02371	3.4
103.03947	1.1
106.02921	0.6
106.06327	0.5
107.04978	0.4
109.02851	1.1
109.06523	0.4
109.07682	0.4
110.02408	0.4
110.06000	0.7
110.07164	1.9
113.02325	0.4
114.10295	2.7
115.03913	6.2
115.08591	0.5
116.98585	0.5
119.01863	0.8
119.04922	2.9
123.05546	5.3
124.03941	100.0
125.04288	0.7
126.02561	0.7
126.05514	0.8
127.03898	4.3
129.01820	3.7
130.08620	0.6
133.03374	0.4
133.04945	5.2
134.06038	0.8
134.99623	0.6
135.03108	0.6
138.05490	13.9
141.59970	1.3
143.03406	1.8
143.11823	0.4
145.03423	0.4
145.03801	0.5
145.04939	5.2
147.04391	18.3
148.04750	0.9
150.06619	0.8
152.07037	2.4
157.01358	2.8
157.02451	0.6
161.01282	0.4
161.03171	0.6
161.04451	3.5
163.06006	1.4
164.08241	0.5
166.08598	1.9
171.02910	1.5
175.02484	0.5
177.00780	0.4
184.01299	0.5
186.04558	0.5
186.98816	0.3
189.02225	0.6
189.03923	11.2
189.05537	0.8
190.96318	0.6
190.98639	0.4
191.02257	0.5
194.08057	2.7
196.07153	1.5
203.05519	3.3
207.05074	0.4
210.08902	0.7
210.12360	1.4
211.15617	0.4
212.09143	1.6
212.17682	0.4
214.56313	0.6
216.05663	0.4
218.11763	6.0
221.06564	1.5
224.07510	0.5
232.57175	0.8
236.05292	0.5
247.64136	0.7
251.02467	1.0
256.03021	1.0
256.08026	6.0
256.12860	3.2
256.15549	2.2
256.26392	1.6
260.14041	0.5
274.04172	0.5
277.16608	3.4
277.19171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1952
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03949	1.5
55.01854	4.4
55.05257	1.1
55.05503	13.5
57.03416	1.6
57.06815	1.6
57.07069	19.1
59.04993	1.0
64.80327	0.8
65.22710	1.0
67.05494	14.2
68.99770	2.8
69.03413	2.2
69.07064	11.9
71.01374	1.5
71.05000	5.6
71.08615	1.5
72.08144	4.3
73.02937	1.4
73.06545	1.0
79.05485	11.0
81.03407	1.9
81.06570	2.2
81.07050	40.1
83.04977	12.5
83.08613	10.0
85.02867	1.2
85.06529	4.2
91.05463	7.2
93.06461	1.8
93.07034	26.1
95.04958	3.9
95.08598	40.7
97.06528	5.7
97.10168	6.6
98.98459	27.7
99.04414	1.4
99.08080	7.3
100.98852	1.1
105.07018	18.3
107.04946	6.4
107.08592	21.2
109.02853	5.9
109.06507	5.8
109.10143	27.8
111.04432	26.9
111.08073	14.3
113.09624	2.4
116.99478	1.8
117.07037	1.6
118.35632	0.9
119.08579	12.4
121.06513	1.8
121.10130	35.4
123.08051	7.6
123.11700	9.7
125.05988	7.7
125.09616	3.4
127.07539	3.8
127.11153	1.3
131.04897	7.6
131.08560	4.1
133.06471	1.3
133.10103	6.1
135.04414	3.7
135.08049	3.7
135.11681	11.9
137.05923	1.6
137.09573	6.2
139.11174	2.8
143.08549	1.8
144.09325	1.2
145.10120	18.3
147.04405	3.6
147.11679	2.1
149.09610	3.9
149.13251	4.5
151.11169	4.4
153.05460	20.3
153.12770	1.2
155.10709	1.1
157.10074	1.5
159.11687	12.7
161.06007	1.2
161.13246	18.6
163.03851	1.1
163.11169	9.9
173.13295	1.5
175.07594	1.3
175.14780	1.8
176.98973	2.6
177.09096	1.4
177.12758	4.1
177.16376	3.2
178.32155	1.0
181.04945	4.4
181.12201	9.2
185.13266	1.1
191.10666	14.0
191.17938	19.1
199.07651	1.2
201.01091	1.0
201.14546	2.2
201.16374	33.8
201.30214	0.9
208.95836	1.0
209.11714	100.0
209.18945	7.2
210.12045	2.2
219.13858	1.0
219.17418	18.9
219.20970	1.1
237.11209	49.3
237.18468	83.0
255.06503	4.7
255.10207	6.3
255.12329	4.0
255.19243	10.4
256.26129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05515	1.1
56.96548	1.6
57.03433	8.1
59.04993	1.3
61.02928	3.1
68.05036	0.5
69.03429	5.1
69.60629	3.3
70.06578	1.1
70.28432	0.5
71.01348	2.5
71.04978	1.5
72.08152	7.7
73.02909	5.9
73.69765	0.5
80.05013	1.3
81.03400	1.6
82.06570	0.6
84.04503	0.9
84.08132	1.8
85.02898	14.8
87.04467	2.5
89.02413	0.7
91.05466	1.7
93.12041	0.5
94.06617	0.6
96.04502	1.3
97.02889	3.7
98.21523	0.7
98.97563	1.0
99.04472	1.2
100.07643	0.7
100.67720	0.4
101.02361	3.6
101.06014	0.7
103.03941	0.8
106.06360	1.2
107.04929	0.5
109.02870	1.1
110.02440	0.7
110.06036	0.7
110.07160	2.4
111.40406	0.5
114.10281	2.1
115.03931	5.5
115.08665	0.5
116.97812	0.5
116.98633	0.8
119.01923	0.7
119.04944	4.9
119.56314	0.4
119.72357	0.4
123.05540	5.8
124.03947	100.0
125.04280	0.9
126.05502	1.0
127.03946	2.2
129.01813	4.0
130.08580	0.7
131.01955	0.6
131.12907	0.6
133.04973	5.2
134.06064	0.7
138.05496	15.6
138.06526	1.0
141.59996	1.4
143.03381	1.7
145.04941	3.7
146.08130	0.6
146.99623	0.5
147.04395	24.9
148.04745	1.6
150.06619	1.0
152.07072	2.4
153.54550	0.5
157.01350	3.1
161.04391	3.3
163.06049	1.7
166.08636	1.5
171.02892	1.1
172.95305	1.3
175.02521	0.5
183.55733	0.6
189.02231	0.6
189.03931	10.3
189.05515	0.8
194.08058	3.1
196.07191	1.3
203.05516	3.5
210.08803	0.8
210.12398	1.9
212.09172	1.4
214.56245	1.0
218.11752	7.4
219.12120	0.7
221.06564	1.6
229.04877	0.7
232.57196	1.5
235.14433	0.5
238.07069	0.7
239.11212	0.6
247.64282	0.7
251.02281	0.8
256.03152	0.6
256.08331	5.7
256.12781	2.3
256.15591	2.0
256.26315	1.9
256.65683	0.6
260.14072	0.8
274.04068	0.7
277.16586	5.5
277.19138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1953
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.03935	0.8
55.01860	1.2
55.05507	9.5
57.03428	1.5
57.07058	4.0
59.05005	0.7
64.42608	0.5
65.03922	0.7
67.01859	1.6
67.05224	0.6
67.05501	7.3
68.99783	1.4
69.03409	1.3
69.06712	0.9
69.07066	11.5
69.42760	5.1
71.04976	2.5
71.08633	0.9
72.08149	1.6
77.03957	0.8
79.05489	4.8
81.03410	2.4
81.07050	18.9
83.04971	3.8
83.08613	6.4
85.02883	0.9
85.06539	5.3
89.10868	0.5
91.05480	3.4
93.06460	0.9
93.07033	11.5
93.07612	0.7
95.04948	2.0
95.08602	12.8
97.02859	1.8
97.06507	2.5
97.10163	6.6
98.98451	5.4
99.04424	2.4
99.08087	1.3
103.05470	1.8
105.03360	0.7
105.07024	3.1
107.04928	2.3
107.08592	13.5
109.02876	1.1
109.06477	1.2
109.10139	9.9
111.04425	2.9
111.08067	3.4
111.11677	0.9
113.09647	1.8
114.10265	0.6
117.06999	0.6
119.04866	0.8
119.08561	5.7
121.06524	1.2
121.10139	14.9
123.05546	0.9
123.08042	1.2
123.11707	9.4
125.09634	1.9
127.03909	0.9
127.07546	1.5
129.03372	1.0
129.06970	0.7
131.04922	4.0
131.08572	1.3
133.10150	3.2
135.08046	1.0
135.11671	9.0
137.02325	2.4
137.05933	0.9
137.09621	1.2
137.13252	1.9
139.07539	2.7
139.11217	0.9
141.09055	1.0
143.08548	1.1
144.96762	0.6
145.06474	0.7
145.10112	3.4
147.04381	2.6
147.11681	1.2
149.09627	1.1
149.13217	2.6
153.01804	4.1
153.07008	1.2
153.09103	3.6
153.12740	0.9
155.08372	0.7
157.06485	0.9
157.10078	1.1
159.11681	2.3
161.05991	0.9
161.13248	3.7
163.11140	2.2
163.14864	1.0
165.06973	1.0
167.08591	0.8
167.10678	2.3
169.12120	0.7
171.02892	1.1
171.11617	1.0
173.13185	1.2
175.14803	2.5
177.16377	17.7
181.06459	2.8
181.12241	4.4
184.05272	0.7
185.13315	0.9
191.17957	3.7
195.08061	1.6
197.13275	0.8
199.07506	4.8
199.14783	1.0
201.12698	0.6
201.16299	3.9
209.06000	0.6
211.14824	0.7
213.05515	0.6
219.13748	0.7
219.17436	7.1
219.20818	0.6
223.07521	1.1
227.07018	2.5
237.05460	1.2
237.16348	0.9
237.18475	11.3
237.22157	1.5
255.06503	100.0
255.10188	4.4
255.17303	2.4
255.19637	2.5
255.23308	1.1
256.06799	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	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.50661	1.6
53.03931	3.3
55.01857	3.9
55.05509	26.1
57.03433	52.2
57.07061	6.4
65.03924	2.1
65.88565	1.4
66.33511	1.7
67.05502	75.5
67.31710	1.7
69.03407	3.5
69.07066	26.9
70.42506	1.9
71.01331	4.7
71.02316	4.3
71.04968	7.0
72.08140	5.3
78.22375	1.7
79.05492	64.8
81.03413	10.5
81.07058	38.6
83.04974	29.1
83.08603	10.5
85.02882	2.5
85.06524	4.9
91.05476	31.0
93.07043	82.0
95.04944	7.4
95.08615	12.6
97.06530	20.3
97.10168	16.2
98.98460	11.6
99.04468	2.8
99.08056	4.3
102.09114	1.6
105.07036	9.6
107.04957	9.5
107.08588	63.1
109.10153	10.3
111.04422	4.8
111.08057	3.9
116.32690	1.6
117.07014	8.3
119.08567	12.7
121.10120	13.8
123.11517	1.8
125.09589	5.2
127.03921	2.3
131.04939	21.0
133.06465	2.2
133.10091	5.7
135.08023	4.3
135.11685	100.0
137.05923	2.8
137.09624	3.5
139.07458	2.1
143.08511	2.4
145.09183	2.0
145.10133	17.9
147.04333	3.1
153.12723	3.7
161.05923	7.5
163.07599	2.0
163.11186	12.0
173.13329	1.8
181.11046	1.7
181.12253	19.2
199.13283	2.3
237.18445	3.7
240.07809	1.7
255.06496	7.5
255.10254	21.9
255.15869	81.3
255.21150	5.3
256.15924	1.7
256.26282	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	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.8
55.01850	3.7
55.05263	1.5
55.05504	24.2
57.03429	50.8
57.07050	4.3
62.67595	1.0
65.03916	2.7
66.91275	0.9
67.05496	77.2
69.03401	2.4
69.06719	1.6
69.07059	25.0
69.62309	1.2
70.14313	5.9
71.01338	5.1
71.04990	8.7
77.03903	1.0
79.05484	75.6
81.03407	11.4
81.07046	36.7
83.04488	1.5
83.04970	24.4
83.08610	6.6
85.02863	2.6
85.06541	7.3
91.05468	30.9
93.07032	77.6
93.71829	0.9
95.04955	11.7
95.08586	13.5
97.05907	1.3
97.06520	21.1
97.10153	17.1
98.98444	7.3
99.04413	2.8
99.08052	4.2
103.05424	4.7
105.04490	1.5
105.07004	11.2
107.04951	20.5
107.08582	50.9
109.06449	3.7
109.10143	9.1
111.04406	3.7
111.08060	3.0
111.11672	1.6
115.05444	1.2
117.07006	7.3
119.04923	1.9
119.08559	10.5
121.06490	5.6
121.10124	11.1
123.04385	4.3
125.05983	1.4
125.09594	4.7
131.04913	54.6
131.08578	1.7
132.77542	1.3
133.06451	4.4
133.09230	1.2
133.10075	6.7
135.08026	2.0
135.11676	100.0
137.05969	8.1
137.09575	3.1
143.08496	3.2
145.06415	2.4
145.10130	16.2
149.05914	2.6
152.06139	1.8
153.12666	3.2
159.11549	1.2
161.05975	14.2
163.11179	15.2
167.08607	1.3
171.11568	2.0
177.16479	1.1
181.06549	1.0
181.12213	20.5
194.07231	2.3
195.07999	4.2
197.05927	1.4
197.13161	2.3
199.07478	1.2
199.13203	2.2
212.08267	2.5
223.07326	2.5
224.08299	3.4
227.06860	1.4
227.10625	5.1
237.18394	1.4
239.06956	2.6
240.07785	4.5
255.06529	8.5
255.10161	60.2
255.15843	81.8
255.20795	5.3
256.10449	2.2
256.26355	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1013
Annotation	4'-hydroxy-2'-methoxychalcone
Peak:m/z	Relative Intensity
53.03950	1.1
55.01855	1.0
55.05478	0.7
56.09704	0.5
57.07067	0.9
59.62736	0.5
69.07060	1.4
69.82700	3.5
79.05486	2.3
81.07056	1.2
81.31306	0.6
83.04967	0.7
91.05478	3.6
93.07029	0.9
95.04967	2.7
95.08608	0.7
98.98467	2.9
103.05459	5.4
103.53900	0.6
105.07027	11.9
105.58035	0.6
107.04948	27.8
109.06490	1.1
111.04439	0.8
115.05444	0.8
117.07021	0.7
118.04120	0.9
119.04910	1.6
121.06490	5.7
123.04440	6.5
125.05996	1.7
131.04921	91.6
132.05725	1.0
133.06479	8.7
137.05977	12.2
145.06487	3.4
146.03662	0.8
147.04414	2.3
149.05994	4.2
149.13235	0.7
152.06215	0.8
157.06445	0.9
161.05977	26.9
162.06694	1.6
162.09297	0.6
165.06879	0.6
166.07776	0.7
167.08563	2.4
169.06508	1.0
171.07866	0.6
174.06761	0.6
177.06952	1.3
178.42491	0.6
181.06487	1.3
183.08066	0.6
184.08731	1.1
194.07256	2.4
195.08046	7.9
196.08757	0.7
197.05975	2.8
197.09644	0.6
199.07526	0.6
207.07950	0.7
209.09673	1.3
209.11732	0.9
212.08441	3.5
212.10135	0.8
219.21257	0.7
222.06659	1.2
223.07584	5.8
224.08316	8.0
225.05463	2.1
227.10661	6.9
237.09044	1.3
239.07019	3.2
240.07782	7.4
242.40889	0.6
255.10150	100.0
256.10431	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	4'-hydroxy-2'-methoxychalcone
Peak:m/z	Relative Intensity
52.12936	0.5
52.55313	0.4
53.03933	0.6
55.01870	0.7
55.05516	1.1
55.14327	0.4
57.07064	1.0
61.06029	0.5
61.15328	0.5
67.05476	1.0
68.58662	0.4
69.07050	1.6
69.57341	3.9
71.08620	0.8
72.08163	1.1
79.05491	2.8
81.03378	0.5
81.07042	1.7
83.04969	0.6
83.08643	1.1
85.06535	0.6
91.04913	0.6
91.05465	3.4
92.65536	0.4
93.07028	1.4
94.04197	0.5
95.04956	1.8
95.08622	1.6
97.06509	0.7
97.10141	0.4
98.20765	0.8
98.98457	3.9
103.05467	6.4
105.07027	10.7
106.07381	0.5
107.04947	29.8
107.08575	1.0
109.06509	1.2
109.10158	1.8
111.04417	0.6
117.07005	0.5
118.04162	0.7
119.04949	1.7
121.06483	4.9
121.10148	1.3
123.04414	6.0
125.05997	1.6
131.04916	88.4
132.05719	0.9
133.06490	8.5
135.11732	0.6
137.05960	10.9
143.08530	0.5
145.06480	2.2
147.04370	2.2
149.05992	4.1
152.06180	1.1
157.06451	1.0
161.05968	25.3
162.06767	1.0
165.06964	0.9
166.07776	0.5
167.08513	2.2
169.06480	0.8
171.11638	0.5
177.06972	1.2
177.16335	0.6
178.07642	0.5
179.08412	0.5
181.06471	2.0
184.08830	0.8
194.07269	2.1
195.08047	7.9
196.08809	0.8
197.05939	2.9
209.09697	0.8
210.06761	0.5
211.07491	0.5
212.08260	3.9
219.21054	0.6
223.07518	3.9
224.08296	6.2
225.05460	2.0
227.10596	7.5
237.09074	1.4
237.18460	1.1
239.07013	2.9
240.07796	8.8
255.06792	3.0
255.10144	100.0
256.10486	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	255.1012
Annotation	4'-hydroxy-2'-methoxychalcone
Peak:m/z	Relative Intensity
53.03915	1.3
55.01854	1.0
55.05481	2.2
57.03421	1.0
57.07047	1.2
62.12442	0.5
67.05470	2.3
69.03395	1.7
69.07037	2.0
70.89439	1.2
70.89801	1.1
71.01318	0.8
76.64227	0.5
77.03948	0.5
79.05473	4.0
81.03392	1.0
81.07029	1.9
83.01308	0.6
83.04955	3.2
83.08598	1.1
85.02869	1.1
91.05467	4.0
93.07043	2.8
94.60484	0.6
95.04961	3.3
95.08569	2.0
97.02856	3.6
97.10166	0.6
98.98432	3.5
103.05461	5.9
105.06367	1.0
105.07021	12.2
107.04942	31.6
107.08571	1.9
109.06503	0.9
109.10134	1.0
111.04467	2.7
115.05410	1.1
117.07005	2.0
119.04930	1.8
119.08525	3.0
121.02883	0.7
121.06481	5.6
121.10105	0.7
123.04414	6.5
123.11703	0.7
125.05989	1.2
127.03902	7.2
128.06215	0.8
129.05533	0.7
129.06990	2.0
131.04913	96.2
131.08546	1.7
132.05751	1.0
133.06468	8.9
133.10103	1.5
135.11688	1.4
137.04980	1.0
137.05965	12.5
141.01781	0.6
142.07793	1.5
143.08557	3.9
145.06456	3.2
145.10150	2.9
146.03638	0.9
147.04393	2.3
147.11662	0.9
149.05945	4.4
153.06955	0.6
155.08485	0.7
156.09386	1.0
157.10080	2.8
159.11705	2.0
159.46919	0.7
161.05968	27.1
162.06723	1.1
165.07024	1.0
166.07828	1.0
167.08551	2.5
170.10909	0.8
171.11679	5.2
173.13235	0.8
177.05547	1.0
177.07031	1.9
179.03326	0.7
179.08621	0.9
181.06433	1.3
183.08089	1.4
184.08882	0.7
185.13280	2.4
187.14841	0.7
193.05087	0.9
194.07249	3.0
195.08040	7.8
196.08833	1.4
197.05943	3.1
197.13203	5.1
199.10959	0.6
199.14825	3.1
207.08156	0.7
209.09624	1.2
209.11642	1.2
211.07539	1.4
212.08347	3.7
213.09010	0.6
213.16328	2.9
223.07471	4.5
224.08286	7.7
225.05507	1.6
227.10675	7.0
227.17926	0.6
233.00984	0.6
237.07361	2.7
237.22266	0.6
239.07062	3.4
240.07785	8.3
240.18805	1.0
255.10237	100.0
255.21043	32.3
256.10507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
55.01875	2.1
55.42109	0.2
56.96558	0.5
57.03434	3.4
57.08356	0.2
57.75491	0.2
59.04986	0.6
61.02910	0.9
61.21363	0.2
67.36546	0.2
69.03426	2.0
70.06574	0.3
70.46509	0.8
70.46844	0.2
71.01343	0.9
72.08128	0.3
73.02912	3.5
73.33105	0.2
78.03461	0.8
80.05010	1.9
81.03407	0.3
83.53479	0.2
84.08134	1.0
85.02899	2.8
86.03674	0.3
87.04431	0.5
96.04476	0.7
97.02881	1.0
98.97560	0.5
103.03931	0.5
106.02903	5.7
109.07661	0.3
110.07209	0.5
110.07964	0.4
115.03921	1.6
119.01895	0.3
123.05541	100.0
124.03942	4.0
124.05885	0.6
130.08630	0.3
133.04955	2.6
138.05476	0.6
146.08127	0.5
147.04390	0.5
153.06609	0.6
154.06918	1.3
175.04228	0.2
186.04382	0.3
201.00839	0.3
207.05161	0.5
208.99631	0.3
214.05963	0.5
223.06482	0.3
232.06967	1.4
245.90306	0.3
255.13550	0.7
255.16998	1.5
269.05524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0651
Annotation	Daidzein
Peak:m/z	Relative Intensity
50.89713	0.1
55.01856	0.5
65.03942	0.4
68.99780	0.4
69.43154	1.0
69.43566	0.3
81.03421	0.4
86.91248	0.1
89.03889	0.2
91.04956	0.2
91.05481	2.7
105.03402	0.3
115.05415	0.2
119.04944	1.0
121.02860	0.5
128.06203	0.8
129.06975	1.0
129.91054	0.1
131.04898	0.4
131.08557	0.3
133.02827	0.6
134.03607	0.3
135.69806	0.1
137.02335	8.1
141.06973	0.3
143.08580	0.6
145.02846	1.4
149.02347	0.6
152.06204	0.6
153.06999	2.5
157.06467	1.7
165.06940	0.3
167.03387	0.1
169.06483	0.4
171.08038	1.5
181.06461	4.6
182.07281	0.3
184.05217	0.6
185.05916	0.4
197.06012	0.4
198.06792	0.3
199.07533	13.2
209.05838	0.7
210.06815	0.2
211.07529	0.3
213.05536	0.2
219.34106	0.1
226.06195	0.2
227.07021	5.6
237.05463	2.5
255.06506	100.0
256.06839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0648
Annotation	Chrysin
Peak:m/z	Relative Intensity
51.23498	0.1
55.01854	0.4
55.05491	0.7
57.03410	0.2
57.07064	0.4
64.88752	0.1
65.03915	0.4
67.05485	0.6
68.99788	1.8
69.03422	1.2
69.07053	0.8
71.04959	0.3
71.62980	0.2
71.63392	0.2
79.05479	0.6
81.03415	1.0
81.07043	1.6
83.04978	1.5
83.08590	0.5
85.02874	0.5
85.06538	1.0
91.05476	1.4
93.07028	0.7
95.01300	0.4
95.04938	0.4
95.08601	1.2
97.02881	0.8
97.06526	0.6
97.10166	0.2
98.98473	0.9
99.04397	0.3
99.08067	0.2
101.05974	0.2
103.48934	0.2
105.06997	0.2
107.04894	0.2
107.08582	0.8
109.02867	0.7
109.10158	0.7
111.04430	2.4
111.08021	0.2
119.04933	3.9
119.08550	0.2
121.02845	0.6
121.03902	0.1
121.10102	0.5
123.04465	0.2
123.05518	0.2
123.11700	0.2
125.05965	0.3
125.09575	0.3
127.03936	0.8
129.06958	0.2
131.04893	0.5
133.10089	0.2
135.08022	0.2
135.11665	0.4
137.02330	7.1
137.05978	0.2
137.13216	0.2
139.07500	0.2
141.06970	0.4
143.08559	0.4
145.02832	4.8
145.03967	0.3
145.10149	0.2
146.80057	0.2
149.05968	0.2
149.13228	0.2
152.06177	0.2
153.06943	0.4
155.02112	0.2
155.03371	2.7
157.06543	0.2
159.11632	0.2
165.07007	0.2
169.06483	0.5
171.08044	0.4
174.40556	0.2
181.06462	0.6
185.13419	0.2
187.07494	0.3
195.08090	0.2
197.13223	0.2
199.07498	0.5
213.05312	0.2
227.06920	1.0
237.14775	0.2
237.22180	0.2
254.05699	0.2
255.06497	100.0
255.20917	0.8
256.06851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11608	0.1
55.01872	0.3
55.05495	0.3
56.05018	0.6
56.96560	2.1
57.03442	1.1
60.04519	1.1
61.02929	0.7
67.05495	0.4
68.05011	0.6
69.03426	0.6
69.04550	3.4
70.06581	1.7
71.04990	0.3
72.08149	2.6
73.02899	0.3
73.08489	0.2
74.06067	0.2
78.03445	0.1
78.06615	0.1
80.03764	0.2
80.05010	0.7
81.03406	0.5
81.04534	8.0
82.06555	0.2
84.04466	0.2
84.08146	1.3
84.96013	0.4
85.02898	1.7
85.06534	0.5
85.08487	0.2
86.06065	1.4
86.09713	0.3
87.04453	0.2
88.04023	0.1
89.10766	0.2
90.86345	0.1
91.05470	0.3
94.06586	0.2
95.06095	1.2
95.33511	0.1
96.04489	0.3
96.08114	0.3
97.02898	0.6
97.03962	0.1
97.07622	0.2
97.34567	0.1
98.06048	0.6
98.09679	0.3
98.97571	0.6
98.98465	0.6
99.04520	0.1
99.05584	0.3
102.05559	0.2
106.02892	0.2
107.04980	0.3
107.06064	2.2
107.06747	0.1
108.06852	2.5
109.02868	0.3
109.07634	33.4
110.06049	0.2
110.07156	0.5
110.07931	0.3
111.91409	0.1
112.07549	0.2
112.11227	0.2
114.05521	3.7
115.03940	0.1
115.08667	0.2
116.07080	0.3
116.98607	0.6
119.01883	0.4
119.04955	0.5
119.52386	0.1
120.03246	0.2
122.06049	0.2
123.04585	0.2
123.05538	2.6
123.06357	0.2
124.03973	1.0
124.04749	0.2
124.07613	0.3
125.03452	0.2
125.07112	1.2
127.03900	0.2
128.98627	0.3
129.10188	0.2
131.01884	0.2
131.05081	0.1
133.05002	0.2
134.99654	0.6
135.01108	0.1
135.03036	0.2
136.05225	0.2
136.06155	0.6
136.07651	0.2
136.08691	0.4
138.05498	0.2
138.10280	0.3
140.07109	0.2
142.08635	1.6
144.99828	0.2
146.99699	0.2
147.04393	2.1
147.07788	0.2
148.04782	0.6
150.05499	0.1
152.08141	0.7
153.06578	100.0
154.06909	0.6
155.01927	0.2
158.08147	0.1
158.99680	0.2
159.08090	0.2
160.97534	0.3
161.02948	0.2
162.06645	0.2
163.06032	0.3
164.04518	0.6
164.05763	0.2
164.07019	0.1
164.08241	0.2
164.11853	0.3
165.06482	0.2
166.04939	0.2
173.02968	0.2
176.04573	0.2
177.00813	0.2
177.06526	0.2
178.04872	0.3
180.06422	0.2
182.09277	0.4
182.12987	0.2
185.03055	0.2
185.04707	0.1
186.05583	0.4
186.07639	1.5
189.00841	0.2
190.07295	0.4
190.09769	0.2
190.98666	0.2
192.05222	0.2
193.05902	0.3
194.05348	0.2
195.11266	0.8
197.05560	1.0
202.98705	0.3
206.06683	0.9
208.06076	0.2
208.10890	2.5
208.99658	0.2
210.12466	0.3
218.06624	0.1
218.11864	0.2
219.01730	0.2
219.05074	0.2
231.04239	0.1
235.14400	0.3
236.06833	0.9
236.10158	2.1
236.14754	0.5
243.05400	0.2
246.13843	0.2
248.99147	1.2
254.11371	21.6
254.15962	0.7
254.65076	0.2
257.12836	0.3
267.00235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
55.05507	2.5
56.05026	4.5
56.96563	4.5
57.03437	0.9
65.03928	1.4
67.05496	4.8
68.05027	3.4
69.03436	1.6
69.07056	2.1
70.06599	1.9
71.04982	1.2
71.61452	0.7
79.05482	6.5
80.05006	6.7
81.03415	1.4
81.07045	8.0
82.06574	5.2
83.04965	1.4
84.08144	1.9
85.02885	1.5
85.06529	3.8
86.06066	1.0
91.05471	6.2
92.23064	0.7
93.07034	12.1
94.06554	2.7
95.04984	1.8
95.08600	8.3
96.08127	1.1
97.02935	0.9
97.06529	2.5
98.06043	0.8
98.97577	24.2
98.98437	2.1
103.05434	0.8
105.07030	7.2
106.06556	1.0
107.04938	0.9
107.08591	3.2
108.08099	0.8
109.02872	1.6
109.06522	2.3
109.10146	0.9
110.09686	1.5
110.97558	1.6
113.06006	0.6
116.97803	1.2
116.98611	17.7
117.07024	1.9
119.08556	9.2
120.08112	3.0
121.06501	1.9
121.10144	2.8
122.09652	3.2
123.04469	0.7
123.08038	4.7
124.11236	0.6
125.05989	1.0
127.07516	1.7
128.98582	2.4
129.07004	1.3
131.08578	1.9
132.08041	0.8
133.06465	1.0
133.10112	1.0
134.09641	1.6
134.99632	7.4
135.08038	4.2
136.11189	5.4
137.03455	0.8
137.09628	1.6
138.06747	0.6
140.00221	0.7
146.09621	1.8
146.99658	2.7
147.08020	2.1
147.11679	13.4
147.13495	0.6
148.11168	1.9
149.09616	5.1
150.09087	0.9
151.07541	10.1
151.94298	0.6
153.09114	1.4
158.99635	10.2
159.11702	0.6
161.13205	2.1
164.10692	16.4
165.09142	0.9
165.12737	0.8
166.12288	0.9
176.10699	4.2
177.00703	16.2
180.10229	0.9
182.11757	100.0
183.06738	1.5
183.12105	0.7
189.00710	0.9
189.12749	5.4
192.07217	2.9
194.05214	3.7
194.11745	28.6
195.01775	1.6
200.02336	1.4
203.05821	0.7
205.56120	0.7
207.13766	6.5
212.12799	48.1
213.07767	8.5
213.57869	1.2
218.15450	1.6
219.01761	5.0
222.08282	10.6
222.58415	1.4
223.09248	0.8
224.16437	1.3
231.08836	2.8
231.59016	1.2
233.59035	1.2
234.09329	1.1
236.12965	0.7
236.16408	8.2
237.02835	0.8
254.10022	2.3
254.17497	73.5
255.06749	1.0
255.17818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03952	2.3
54.02792	1.3
55.01874	4.0
55.05257	2.1
55.05511	29.8
56.96559	2.4
57.03426	5.9
57.07070	8.4
59.05002	2.3
63.53934	1.2
65.03925	1.6
67.05499	18.0
69.03428	47.5
69.07069	14.2
69.36615	11.1
69.37023	2.3
70.06599	2.4
71.04983	6.7
72.08145	9.8
77.96152	1.3
79.05491	9.1
80.05012	1.6
81.03416	5.3
81.07050	29.7
83.04981	10.3
83.08618	7.8
84.08146	2.9
85.02892	3.9
85.06537	12.8
86.06060	2.2
86.09700	1.9
91.05479	23.6
92.05807	2.0
93.04564	1.2
93.07035	17.7
95.04970	10.3
95.08604	31.0
97.02895	6.7
97.06521	10.1
97.10146	3.2
98.06055	2.9
98.09708	1.4
98.21588	1.4
98.98463	97.7
99.04434	1.9
99.08086	69.3
100.61961	1.4
100.98917	1.5
103.05453	2.3
104.07110	1.7
105.07020	18.0
107.04962	2.4
107.08591	18.2
109.02879	6.1
109.06506	8.9
109.10147	22.8
111.04449	2.2
111.08063	7.3
113.05968	2.2
113.09586	1.8
114.18178	1.3
115.05486	1.5
116.98701	2.3
116.99513	5.8
117.07021	3.4
119.04945	4.6
119.08582	20.2
120.05276	2.7
120.08102	6.9
121.02869	34.4
121.03708	2.7
121.06500	5.1
121.08450	14.1
121.10135	12.1
122.06005	1.3
122.09608	1.4
123.04441	2.9
123.08070	12.7
123.11685	9.5
125.09624	100.0
127.03925	2.9
127.07544	3.2
127.11171	1.8
131.08574	2.8
133.06483	2.9
133.10126	23.1
134.99680	1.5
135.08018	3.9
135.11691	5.8
136.06197	6.9
136.11310	1.4
137.06607	2.4
137.09575	4.6
139.07567	2.8
139.11183	10.3
141.05467	2.9
141.06940	1.5
143.08560	2.2
145.10095	1.7
146.05978	1.9
147.04393	10.2
147.06316	1.7
147.08054	3.2
147.11691	10.9
148.04776	4.6
149.09624	3.7
149.13264	3.8
151.03931	1.6
151.07559	2.7
151.11189	9.6
153.05486	1.4
153.09062	2.2
153.12871	1.4
155.08591	2.2
157.10153	1.9
159.11708	2.8
161.05969	3.3
161.09602	2.0
161.13257	2.1
163.11147	1.7
164.10712	2.5
165.09088	1.9
165.12755	1.5
167.08682	1.6
167.10628	2.9
169.10213	2.2
171.11760	2.2
173.09743	1.3
173.13179	3.3
174.99187	2.3
175.04028	1.5
175.11205	3.3
175.14804	19.2
176.04221	3.2
176.99017	2.4
177.00641	3.2
177.12848	2.0
179.07034	4.6
179.08502	2.2
179.10638	8.5
181.08688	1.6
181.10110	3.3
182.11763	12.0
183.11653	2.8
189.07323	2.5
189.12689	2.3
189.16441	7.5
193.08551	1.8
193.12198	2.0
193.15869	7.1
194.11800	2.6
197.11652	6.6
199.14810	1.5
207.06575	3.2
207.08525	8.3
207.17532	3.8
208.06895	10.6
209.13358	1.6
217.15804	8.4
223.14940	2.4
225.16437	2.9
235.09573	4.8
235.14655	3.2
235.16794	13.0
236.12708	1.6
238.13632	2.0
253.07198	2.3
253.09834	12.8
253.12439	2.0
253.15601	12.6
253.18062	27.8
253.21809	1.6
254.10078	2.2
254.17502	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	253.1658
Annotation	Hexazinone
Peak:m/z	Relative Intensity
54.03462	2.1
55.01848	1.2
55.05497	3.3
55.55745	0.7
56.05022	1.7
56.96551	3.2
57.03425	1.4
57.07064	5.8
59.06112	1.8
60.04208	1.1
60.04518	22.1
62.95791	0.7
67.05489	4.1
69.03415	2.7
69.07052	5.0
70.06575	3.4
71.04976	3.0
71.60928	1.0
72.08150	9.9
73.06558	1.6
75.04492	0.8
79.05475	2.3
81.03400	1.1
81.04532	41.4
81.07051	5.4
83.04980	1.2
83.08604	1.6
84.08128	2.7
85.02875	3.9
85.06516	0.8
86.06025	1.0
86.09693	8.1
87.04386	0.9
87.08138	0.8
89.10741	0.8
91.05462	2.9
93.07021	2.3
95.04948	1.8
95.08590	3.5
97.02877	3.0
97.06503	1.6
97.10159	1.5
98.06027	1.5
98.09686	1.1
98.98453	70.4
99.04457	2.2
103.03945	0.8
103.05423	1.0
104.10732	7.7
105.07014	2.0
107.04948	2.2
107.06064	1.6
107.08587	2.2
107.82277	0.7
109.02872	1.6
109.06490	1.2
109.10137	2.8
110.07150	9.1
114.09151	2.1
116.98675	1.2
116.99489	3.5
119.04924	1.2
119.08520	1.7
120.08086	34.6
121.06515	1.3
121.08406	0.8
121.10152	1.1
122.07136	30.3
123.04436	3.2
123.08012	1.3
124.08698	48.1
127.03923	1.6
128.07059	1.5
129.10208	0.9
131.04929	1.3
133.10144	1.2
134.99677	1.2
136.07562	0.9
137.05963	1.1
138.09067	1.4
140.08192	2.2
141.05461	2.6
143.08533	0.9
147.04387	4.2
147.08051	1.0
147.11644	0.9
147.95215	0.8
148.04813	1.8
148.07628	1.0
149.05994	1.3
149.10722	0.8
149.13091	1.0
150.12857	1.8
151.07549	1.0
151.11221	1.4
158.99683	0.9
159.02887	2.7
162.09126	2.3
162.13112	0.8
165.05594	1.0
166.08626	22.7
167.11795	0.8
168.12572	0.7
174.99182	2.3
176.98932	1.9
177.11389	1.8
179.10744	1.4
180.10176	3.7
189.12570	1.1
190.13525	1.3
190.99135	0.8
194.09273	1.6
197.11702	7.4
207.11288	7.7
208.13220	1.5
212.03374	0.9
217.07201	1.9
217.19600	1.0
219.04970	6.9
222.14798	1.5
225.17067	43.6
235.10892	2.1
235.15399	2.5
236.09097	1.1
236.12793	1.7
244.13438	1.2
253.11923	6.2
253.16585	100.0
253.18944	7.1
253.58107	0.9
254.14001	1.8
254.17023	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	253.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01871	2.6
55.05502	8.9
56.05036	1.9
56.96562	8.8
57.03423	1.8
57.07068	2.9
58.06589	2.7
59.04982	1.4
60.04521	5.2
61.02949	1.1
67.05497	4.9
69.03422	7.1
69.07064	3.5
70.06236	2.1
70.06585	23.5
70.68113	4.1
71.01354	1.3
71.04982	3.9
72.04514	3.9
72.08150	43.2
73.02917	1.8
73.08479	2.2
79.05482	4.0
80.05009	3.5
81.03414	4.5
81.04542	1.8
81.07046	7.0
82.06554	2.2
83.04959	2.6
83.06065	1.6
84.04488	5.9
84.08138	24.8
84.96039	1.4
85.02898	8.5
85.06543	1.6
85.08478	1.5
86.06073	2.7
86.09705	3.5
87.04462	1.3
89.10773	8.2
91.05458	6.6
93.07039	8.0
94.06551	3.3
95.04969	3.0
95.06046	1.6
95.08596	3.7
96.08131	6.3
97.02921	5.4
97.06505	2.1
98.06057	17.9
98.09688	6.2
98.97540	2.6
98.98457	65.1
99.04478	2.4
100.07603	2.4
100.98891	1.1
102.05531	4.9
102.09164	4.0
105.07024	2.2
106.06522	1.4
107.04950	4.1
107.08591	3.0
108.08105	3.2
109.02888	2.9
109.06483	1.2
109.07657	2.0
109.10143	2.3
110.06021	2.6
110.07170	10.9
110.09713	1.5
110.97626	1.1
111.08065	5.9
112.07597	2.8
113.05975	1.2
114.09171	10.4
115.08688	12.2
116.07088	1.4
116.98639	2.7
116.99454	2.7
119.01903	2.6
119.04931	14.4
119.08589	4.3
120.08117	3.3
121.06525	1.3
122.06042	4.7
122.09662	3.0
123.04467	1.9
123.05530	1.7
124.07574	9.4
124.11236	3.3
125.05980	1.3
126.05580	1.0
127.03905	2.2
128.11841	3.6
129.10220	1.5
130.08629	2.8
131.01891	1.5
134.06006	3.0
134.09648	5.1
134.99643	3.3
135.04362	2.2
136.07608	5.8
136.11177	5.3
138.05486	2.1
138.09135	1.6
141.05493	1.6
145.05075	1.1
147.04395	74.8
147.11714	1.3
148.04758	5.0
148.07536	1.4
149.05948	1.3
150.05516	3.3
150.09195	2.4
150.12767	4.5
152.07079	2.7
152.10696	5.5
153.00671	1.0
153.06593	3.8
159.02924	2.6
162.05475	3.2
162.09158	4.1
163.03925	2.6
164.07013	1.9
165.05547	2.1
166.08618	5.5
166.09850	1.6
172.95248	2.4
174.99237	1.1
176.10709	8.0
176.98926	1.9
177.00668	1.1
178.12257	28.3
180.10172	1.8
182.08214	1.3
182.15353	2.4
182.84694	1.4
188.10623	2.7
188.92488	1.7
189.06578	1.1
190.12283	3.8
190.96309	1.6
193.13351	8.1
194.09238	3.9
194.11807	1.8
194.15393	26.1
195.11267	2.0
197.11636	5.8
200.10707	2.0
204.10135	2.9
206.11841	2.2
207.07834	1.3
207.14938	3.7
209.16476	1.6
211.14539	1.4
212.12874	1.3
217.13348	2.9
218.11711	12.7
219.05013	1.6
219.12090	2.0
222.14952	7.9
223.17969	1.3
230.08772	1.6
235.14412	89.2
235.18018	2.4
236.12733	2.2
236.14700	2.3
244.13515	1.2
248.99242	2.3
252.64850	1.6
253.08440	2.6
253.12064	3.6
253.15488	64.5
253.19096	100.0
254.17596	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	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01864	3.9
55.05256	1.3
55.05506	17.0
56.05034	5.0
56.96552	5.1
57.03434	7.0
57.07058	2.9
58.06589	2.5
59.06104	0.8
60.04515	5.1
61.02920	9.1
65.03925	0.8
67.05476	4.3
68.05009	1.9
69.03072	1.1
69.03427	17.9
69.07059	2.7
69.24595	0.7
70.06589	15.6
70.71090	1.0
70.71430	1.7
71.01347	1.2
71.04982	3.6
71.06918	1.1
72.04507	0.9
72.08150	48.4
73.02908	4.4
73.06552	38.5
73.06964	1.9
73.08484	4.0
74.02425	2.4
74.06068	1.8
79.05479	4.5
80.05008	1.4
81.03413	8.5
81.04533	1.1
81.07058	4.9
82.06567	2.7
83.04948	1.8
83.08584	1.4
84.04491	3.2
84.08136	16.1
84.75173	0.7
84.96027	0.9
85.02898	98.2
86.06049	1.6
86.09689	4.5
86.69732	0.7
87.04471	3.0
88.03989	0.8
88.07594	1.0
89.10792	6.0
90.11089	0.8
91.03936	4.2
91.05482	7.5
92.07056	0.7
93.07034	2.8
94.06580	1.9
95.04965	3.2
95.08611	4.6
96.08127	6.1
97.02885	22.8
97.06549	0.9
98.06055	14.4
98.09681	4.1
98.98458	60.7
99.04465	4.1
99.06356	1.0
100.03916	0.9
100.07610	11.1
101.02336	0.9
102.05547	1.3
103.03955	1.0
105.07024	2.8
106.06516	1.0
107.04932	4.8
107.08587	2.7
108.08112	3.1
109.02200	1.0
109.02876	9.9
109.06495	1.9
109.10132	3.3
110.06046	1.2
110.07166	4.2
110.09663	1.7
111.08042	1.5
112.07609	2.2
114.09146	3.9
114.10315	1.1
115.03930	1.7
115.08694	4.0
116.07052	1.3
116.98607	3.7
116.99496	3.7
117.03310	0.7
117.06978	1.4
118.06573	1.6
119.01860	0.9
119.04935	10.7
119.08540	2.5
120.08082	6.3
121.02829	1.3
121.06441	1.9
121.10168	1.0
122.05991	1.8
122.09628	1.0
123.04462	4.2
123.08018	0.8
123.11623	1.1
124.07570	3.8
124.11150	1.5
127.03907	22.5
128.10905	0.8
128.11829	1.1
129.10219	2.9
130.08672	1.2
131.04886	2.0
133.06430	1.0
133.10100	1.0
134.05998	3.8
134.09674	2.5
134.99651	2.5
135.04407	2.5
136.04756	1.2
136.07545	2.2
136.11160	2.1
137.05959	2.4
138.09142	0.8
140.07057	1.1
140.10666	2.0
141.05420	2.2
143.08583	0.8
144.04478	0.8
145.04951	25.5
145.06152	1.3
146.06004	2.7
146.09610	0.8
147.04399	43.3
147.07918	0.9
147.11639	0.8
148.03770	1.2
148.04770	7.9
148.07542	2.4
148.11174	1.2
150.05481	0.9
150.09154	1.7
152.07045	1.5
152.10701	1.5
154.12239	5.3
158.99652	1.3
159.02885	2.2
160.07610	1.4
161.07042	1.2
161.13290	0.8
162.05495	29.5
162.09106	3.9
163.03877	6.0
163.05963	4.5
164.04268	3.0
164.07091	1.1
164.10710	5.1
165.04356	1.9
165.05559	1.7
166.04904	1.7
166.08659	2.6
170.06062	0.8
171.05655	0.8
173.07199	1.3
174.99197	2.5
176.10695	11.6
176.14294	0.8
176.98917	0.9
177.00673	1.2
178.12239	3.9
179.10666	1.8
180.10208	1.3
181.13351	1.2
182.10684	0.9
186.05476	0.9
186.09166	3.1
188.10654	1.2
190.12254	4.2
193.13350	14.5
194.09363	1.7
194.15392	2.9
195.11314	1.7
197.11768	4.7
200.10751	0.9
204.10193	7.6
204.13931	1.4
206.11691	1.6
207.07938	2.3
207.11322	2.3
207.14967	4.6
217.13394	1.1
218.11768	9.9
219.05060	1.5
219.12073	2.6
220.08313	1.8
220.12247	0.8
224.12880	0.9
234.11208	1.9
235.07388	2.7
235.11005	1.5
235.11876	1.3
235.14432	28.0
235.18010	2.5
235.20258	1.2
236.06628	2.4
236.12849	5.9
236.14656	1.0
240.89838	0.8
243.64160	1.0
244.13409	2.8
252.65004	2.0
253.08452	8.9
253.15456	100.0
253.19077	71.0
253.22717	2.2
254.15993	2.5
269.18994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0818
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
55.05504	2.4
57.07062	4.1
61.27570	1.2
67.05497	2.2
68.04996	1.6
69.03411	1.3
69.07064	2.3
70.06594	1.5
71.04989	1.3
71.62585	2.0
72.08150	3.6
74.02435	12.0
79.05485	3.3
80.04971	1.2
81.07042	4.4
83.04916	1.4
83.51226	1.1
85.02890	1.8
91.05468	2.7
93.07020	2.1
94.06565	1.6
95.08586	3.7
96.04461	2.1
97.02844	1.9
98.98458	61.3
106.06535	4.9
107.08586	1.3
108.04484	2.2
109.02906	1.9
110.06031	5.1
111.04424	2.0
111.08062	1.3
116.04963	2.3
116.98626	1.1
116.99480	2.1
118.06526	6.9
119.04899	1.3
119.06028	1.1
120.04455	4.0
123.04427	1.2
124.07621	1.6
126.05504	3.5
132.04491	3.2
133.05217	2.8
133.07565	1.5
134.06000	47.4
135.05507	1.6
135.06636	1.6
136.03922	2.6
136.06200	2.4
141.05493	2.3
144.04425	3.4
145.05150	2.2
145.07602	2.3
146.05991	77.7
147.04404	2.7
147.05490	1.6
147.06694	1.9
148.03909	3.9
149.04756	1.7
149.07156	1.3
152.07092	3.4
158.05989	2.5
160.07655	1.4
161.04753	2.9
161.07094	9.6
162.05489	100.0
163.03906	1.4
163.06261	2.2
163.08664	2.0
164.03400	17.5
164.30981	1.2
166.05043	2.5
166.82927	1.2
171.05591	2.0
172.03859	2.0
173.07095	7.5
174.05495	3.9
174.07840	1.4
175.08630	2.3
176.98935	2.3
178.04872	1.4
180.06563	3.6
183.07869	1.2
188.07094	2.4
189.06584	9.5
190.04955	11.0
190.07446	1.6
191.08150	3.4
197.11758	4.5
203.05702	2.7
203.07674	1.2
207.07626	30.3
208.06102	2.8
218.04559	2.5
218.07014	1.4
219.07649	9.0
220.08377	16.3
235.07130	6.2
236.05528	6.2
236.07954	7.3
236.12535	1.6
253.08182	31.4
253.15535	3.8
253.19101	4.7
253.21553	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	252.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
55.05505	6.9
56.05029	4.9
60.04506	0.5
64.25912	0.4
65.03928	0.6
67.04225	0.9
67.05483	1.6
68.05013	1.3
69.03413	0.7
70.06577	1.4
71.03126	1.2
71.04981	1.2
72.04501	0.9
72.08141	2.1
74.02425	0.5
79.05481	2.8
80.05006	2.2
81.07052	6.7
82.06572	16.6
82.07059	0.8
83.04951	0.7
84.08137	10.0
88.03975	0.8
91.05476	5.3
93.07027	2.6
94.04053	0.8
94.06530	0.6
95.04949	0.9
95.08593	0.9
96.04514	0.5
96.08121	0.8
97.02860	0.5
97.05893	1.1
97.06522	16.9
98.09682	0.7
98.98461	4.8
99.04395	0.6
105.07009	3.9
107.04944	1.3
109.06486	0.5
110.06050	3.1
110.09675	14.0
113.05971	1.1
115.05442	0.5
115.39942	0.6
118.06541	0.5
119.03557	1.1
119.04950	3.5
119.08519	0.6
120.08118	3.5
121.06512	0.7
122.09676	1.6
123.08080	1.0
124.03961	2.1
125.05981	15.8
125.09650	0.6
133.06448	3.4
134.04509	1.8
135.08052	0.7
136.06177	100.0
137.04561	2.1
146.05894	0.6
147.04404	6.8
147.08023	0.7
150.09102	1.2
151.07516	1.7
152.10722	2.0
160.07576	1.1
161.05942	3.8
163.03902	0.6
164.10713	6.9
166.08490	0.8
175.03885	3.7
179.07013	0.7
180.10184	50.7
181.10521	1.0
190.12253	0.7
191.09373	0.9
191.10768	5.5
192.10159	6.6
192.13783	3.5
193.08598	3.9
204.13803	4.7
205.12221	1.1
206.08052	2.2
206.15483	0.5
207.06487	7.1
207.56169	0.6
210.11232	4.8
216.13864	0.5
231.04478	0.6
234.15065	56.6
235.15277	1.9
250.19829	0.7
252.12094	2.6
252.14548	42.4
252.16232	18.0
252.21423	6.6
253.14622	1.0
268.08087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05490	0.6
56.96567	1.6
57.03434	0.5
59.04995	0.8
60.04515	0.8
65.03953	0.9
69.03419	0.5
69.07082	0.9
71.62645	0.6
72.04510	11.2
72.08189	0.3
73.02896	0.6
77.03925	0.6
79.05495	1.1
81.03413	0.4
81.07046	0.6
82.09707	0.4
83.77954	0.4
85.02905	1.3
86.09710	0.4
88.04004	0.4
89.03888	0.5
91.05473	22.5
93.07054	0.7
93.56023	0.4
95.04960	0.7
95.08561	0.5
97.02880	1.2
98.97569	0.7
98.97794	0.7
98.98452	6.3
103.05475	1.7
105.03408	0.7
105.07023	9.6
106.05055	0.5
109.02862	0.5
115.05444	1.3
116.98624	0.5
118.04144	1.2
119.04935	33.8
120.08091	2.4
123.04467	0.4
129.03326	0.8
132.02022	0.8
132.05728	0.6
133.05489	0.4
133.06482	7.7
134.04521	0.6
135.04367	0.6
135.08012	0.5
136.05179	0.7
145.02792	0.8
146.03604	0.6
147.04395	31.4
149.01218	1.0
149.02312	0.9
152.05942	1.0
157.03917	2.5
160.07556	5.1
161.05966	9.8
162.03113	0.4
162.09128	1.0
163.03900	0.5
164.04588	1.2
165.06828	0.5
166.08626	0.7
167.02238	0.5
167.06992	1.2
170.60390	0.4
171.06700	1.4
175.03893	49.4
176.04422	0.5
178.08652	0.5
179.07037	2.7
180.07271	2.5
180.57278	0.4
188.06999	0.9
189.05565	0.4
191.09418	6.5
191.58044	0.8
192.04149	1.9
193.08591	11.5
206.08102	2.5
207.06509	100.0
208.06825	1.5
208.09715	0.7
210.11212	2.0
219.08838	1.7
220.09755	0.7
237.09921	2.7
252.09456	3.7
252.12280	33.8
252.59583	0.5
253.04872	0.9
253.12904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1227
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
50.98278	0.7
51.02365	0.7
55.01871	1.2
60.04498	0.9
69.83768	1.2
69.84182	2.4
79.05481	2.1
91.05466	1.6
103.05441	2.4
105.07024	26.1
110.01850	0.5
114.73460	0.6
115.05460	4.6
118.04162	1.3
131.04913	0.9
132.05644	0.9
132.08084	1.5
133.06487	25.9
143.06003	1.2
145.06482	0.8
146.06055	1.2
149.06001	0.8
160.05302	0.9
160.07564	18.8
161.05968	35.9
162.06335	0.6
167.07011	2.5
178.08682	1.2
188.07065	2.1
191.07626	1.2
191.09401	22.4
192.09981	0.8
193.08589	44.5
206.08099	7.8
208.09660	2.3
210.11220	8.1
219.08913	6.5
220.09720	1.8
222.07623	1.9
236.08934	1.3
237.09950	11.6
240.96581	0.6
252.12292	100.0
253.12541	1.3
253.19597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78839	0.4
55.01876	0.7
55.05507	1.0
60.04517	0.4
65.03926	0.4
67.05502	0.5
70.06600	0.4
70.23523	1.4
70.23865	0.6
72.04510	5.5
72.08141	1.5
77.03908	0.5
79.01851	0.4
79.05476	1.6
81.07047	3.1
82.06579	0.5
84.04493	1.0
84.08121	0.6
85.04829	0.5
86.92668	0.3
88.03982	0.6
89.03921	0.4
90.09171	0.7
90.11107	0.3
91.05470	12.8
93.07027	0.6
94.04047	0.8
95.04966	0.4
95.08566	0.4
97.06537	0.5
98.06049	0.4
98.98457	7.0
103.05456	1.7
105.07018	11.2
106.07347	4.1
107.04960	0.6
110.09653	0.4
115.05483	0.6
118.04128	1.0
118.06485	0.4
119.03548	1.2
119.04923	16.7
120.08081	5.7
121.06504	0.4
122.09661	1.5
123.09978	1.5
124.03925	1.2
131.04889	0.9
132.02089	0.6
132.11627	0.4
133.06474	8.2
134.04485	1.0
135.04385	0.4
136.06171	100.0
137.04594	1.3
137.05817	0.5
145.02866	0.8
146.05994	1.3
147.04399	16.3
148.04745	0.6
149.02348	0.5
149.04810	0.7
151.07544	0.8
157.03999	1.2
160.07547	4.0
161.05966	10.7
163.02693	0.4
163.03827	2.2
164.04634	0.8
164.07053	0.4
164.49385	0.3
166.08675	0.7
167.07045	0.6
175.03891	25.9
179.07033	0.7
180.10170	1.1
188.07056	1.5
191.09407	4.8
192.04112	1.1
192.10191	0.3
193.08588	10.9
205.98691	0.4
206.08087	6.5
207.06508	49.8
208.06805	0.5
208.09755	0.6
210.11172	2.0
219.08917	1.1
222.07553	0.8
232.02217	0.4
234.07544	0.4
234.13387	17.2
235.11620	2.1
237.09908	2.4
243.09880	0.4
250.19910	1.2
252.12212	24.7
252.14534	64.8
252.21445	9.5
253.21785	0.4
268.78525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45721	0.5
53.03945	0.5
55.05507	3.1
71.62231	0.6
72.08150	12.1
73.06551	4.8
73.08482	1.2
75.51668	0.5
79.05481	1.6
84.08143	1.2
86.09693	2.4
88.03987	1.9
89.03909	4.4
89.10791	0.9
90.09186	34.9
91.05473	4.2
93.07034	0.4
98.06059	0.8
98.09686	0.7
98.98453	4.3
105.07010	1.6
107.04961	2.9
111.06325	0.5
116.03488	0.6
117.03361	7.1
119.04906	0.6
120.08080	1.7
133.06516	1.2
134.04489	2.2
135.04405	16.4
136.04860	0.7
142.08662	0.5
145.01735	0.9
145.02829	12.0
145.03976	0.6
146.03188	0.7
146.05899	0.6
147.04416	1.0
152.07066	0.8
154.15623	0.4
158.68240	0.4
161.05942	1.1
163.03893	100.0
164.04236	4.5
167.07050	0.6
181.41521	0.5
188.07080	0.7
193.08565	1.1
204.74271	0.5
206.08173	1.9
210.11203	1.3
222.11269	0.9
234.07571	0.7
234.11267	0.9
235.11571	0.9
243.14458	2.2
250.20000	1.1
251.65938	0.7
252.12244	7.3
252.17963	0.8
252.21503	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	252.123
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
55.01860	1.0
56.05019	0.7
60.04531	0.9
64.93569	0.4
69.65240	3.0
70.06610	0.4
72.08138	0.9
79.05471	2.5
81.29534	0.4
91.05476	1.6
93.07056	0.8
96.73315	0.4
97.06541	0.5
98.21506	0.4
98.97569	0.4
98.98474	2.5
101.38462	0.3
103.05463	3.3
104.06208	1.3
105.07021	30.1
107.08515	0.5
115.05437	4.9
118.04135	1.6
131.04912	1.6
132.05676	1.0
132.08076	0.9
133.06477	29.9
141.32803	0.4
143.04924	0.5
143.06032	1.5
146.05972	0.5
147.04367	0.4
149.05939	0.6
151.91570	0.4
160.05275	1.0
160.07568	17.4
161.05966	37.4
162.06418	0.5
162.09079	0.5
163.03938	0.6
166.46333	0.4
167.06992	3.2
174.65311	0.4
176.07042	0.5
178.06236	1.2
178.08575	0.9
180.10167	0.6
181.07336	0.5
188.07024	3.1
189.05615	0.4
191.09395	23.4
192.10201	0.7
193.08589	48.2
201.07791	0.5
206.08116	8.9
208.09671	2.8
210.11232	9.6
219.08884	5.8
220.09637	1.6
222.07570	2.4
234.14731	0.8
236.09177	1.5
237.09940	9.6
252.12291	100.0
253.12650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20892	0.4
55.01851	1.1
55.05487	0.6
56.05017	0.4
60.04516	0.8
66.82902	0.5
67.05473	0.4
67.92488	0.4
69.07042	0.5
72.08118	0.7
79.05479	2.0
81.07045	0.7
84.01015	0.4
91.05462	3.0
95.04948	1.1
95.08577	1.1
96.30639	0.4
98.06038	0.5
98.97858	0.6
98.98457	7.7
103.05446	3.6
104.06230	0.7
105.07016	26.2
106.00133	0.4
107.04896	0.5
109.02838	0.6
109.10133	0.5
115.05448	5.0
116.99452	0.4
118.04149	1.2
119.04935	0.7
131.04893	1.0
132.05661	1.1
132.08049	1.1
133.06473	27.8
143.06023	1.4
146.03539	0.5
146.05974	0.7
147.04370	0.8
148.07544	0.5
160.05341	0.9
160.07561	21.1
161.05959	32.7
163.03825	0.6
167.07013	3.1
173.08405	0.5
176.06987	0.5
178.06166	1.2
178.08585	1.2
188.07024	2.9
189.05496	0.6
191.09390	23.4
192.10143	0.8
193.08578	45.6
205.98741	0.5
206.08093	9.2
207.06499	0.8
208.09692	2.6
210.11224	8.8
219.08913	6.2
220.09677	1.9
222.07466	2.1
229.70094	0.6
234.15182	0.6
236.09126	1.4
237.09933	9.8
237.12335	0.5
248.60571	0.5
252.12276	100.0
253.04907	0.7
253.12590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
51.62732	0.6
53.03944	0.7
54.19806	0.6
55.01864	2.8
55.05506	6.0
56.05028	4.3
56.96556	0.6
60.04520	0.7
64.94729	0.6
65.03920	1.2
65.85379	0.7
67.05481	2.5
68.05017	1.3
69.03406	1.2
69.87132	4.2
70.06561	2.0
71.04994	0.9
72.04506	11.9
72.08153	7.8
74.02412	2.6
77.03928	1.1
79.05489	4.7
80.05026	1.4
81.03419	0.8
81.07050	4.4
82.06577	14.2
84.07675	1.0
84.08138	11.0
85.02885	1.6
86.09683	0.7
88.03977	5.1
89.03899	1.2
89.10776	2.0
91.05474	42.3
93.07034	2.8
95.04942	1.6
95.08600	1.3
96.36954	0.6
97.02911	0.9
97.06511	11.8
98.06030	1.4
98.97537	0.9
98.98454	16.6
103.05447	5.7
105.07025	23.5
105.07751	1.2
105.78927	0.6
106.02939	0.7
107.04957	2.5
107.08559	1.3
109.02890	1.0
109.06528	0.9
110.06021	2.5
110.09675	10.3
111.04401	0.7
113.06019	0.7
115.05440	3.7
116.03423	1.4
116.98638	1.4
116.99487	1.1
118.04158	1.9
118.06501	2.5
119.04932	40.5
119.08566	1.6
120.08093	28.4
121.06482	1.3
121.10152	0.9
122.09654	1.2
123.08035	1.3
124.03973	5.2
125.05978	14.5
131.04921	1.1
132.02058	1.6
132.08070	1.4
133.02786	0.7
133.06479	22.1
134.04507	6.6
135.04424	1.8
135.08031	1.1
136.05147	1.4
136.06166	19.1
136.07431	1.1
136.07594	1.1
137.04553	0.7
139.03848	0.7
143.05983	1.3
145.02873	1.3
146.05994	5.7
147.04396	42.1
148.04735	2.8
148.07501	1.0
149.02362	0.9
149.04918	1.8
150.09148	1.0
151.07526	1.9
152.10649	1.5
157.03954	2.3
160.07568	13.5
160.75853	0.7
160.77315	0.7
161.05974	26.5
163.03883	3.4
163.07483	0.9
164.04366	2.1
164.06955	1.4
164.10687	5.4
167.07051	2.4
175.03897	55.9
179.07002	3.0
180.10181	37.6
188.07030	7.0
191.09386	12.3
191.10744	1.9
192.04155	2.3
192.10197	5.8
192.13838	2.6
193.08592	34.3
200.09204	0.7
204.13803	3.6
205.98723	1.2
206.08121	24.3
207.06514	100.0
207.56357	1.0
208.06726	1.3
208.09618	1.8
210.11240	9.1
219.08932	4.1
220.09689	0.9
222.07602	1.3
234.07561	2.2
234.14922	48.0
236.09056	1.0
237.09937	6.8
243.09869	3.2
243.60231	1.1
252.08893	2.5
252.12262	65.9
252.15900	30.7
268.08102	1.6
269.08472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.6
56.96558	0.6
65.03944	0.7
69.03457	0.4
70.02953	1.2
71.61050	0.8
72.08151	2.0
74.02436	22.9
74.26635	0.4
79.05497	0.5
88.03983	47.7
91.05473	100.0
95.08620	0.4
98.02377	0.6
98.98456	2.3
105.06996	0.8
116.03445	16.6
119.04897	0.4
120.08105	1.8
131.36937	0.4
133.06430	0.6
134.04477	71.3
136.06171	12.1
136.07410	0.8
138.05515	0.9
146.05969	0.9
147.04388	0.6
160.39807	0.4
161.05931	0.9
163.03841	0.6
163.97662	0.4
164.04274	0.7
193.08571	0.5
205.98782	0.6
206.08127	3.0
234.07629	7.2
234.13448	1.7
243.14688	0.5
252.08676	4.1
252.12216	2.2
252.14516	8.2
252.17627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2117
Annotation	Leontiformine
Peak:m/z	Relative Intensity
60.61024	0.1
66.67950	0.2
69.97474	0.5
69.97887	0.3
70.71489	0.2
72.08141	0.3
84.08146	0.3
96.08119	0.4
98.09685	10.6
98.21522	0.2
98.98446	0.8
114.09160	9.2
115.09529	0.2
137.78459	0.2
150.09192	0.2
191.07056	0.2
221.11386	0.1
245.34157	0.2
249.19623	11.7
251.21162	100.0
252.21486	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	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
69.07060	0.7
69.40677	0.6
69.41079	4.1
70.02941	0.8
70.06598	1.0
72.08159	4.0
73.08511	0.5
79.05481	0.6
81.07064	0.8
84.08132	0.6
86.09691	1.0
87.00822	2.5
88.03995	0.6
89.10813	1.0
91.05469	2.9
93.07038	1.7
98.06006	0.8
98.98467	7.6
103.05470	6.7
105.07017	2.0
116.99426	0.5
118.06538	9.9
119.04984	0.7
120.08096	100.0
128.04936	1.4
133.06503	2.2
134.04478	1.1
136.06166	15.6
146.06000	18.6
147.04378	1.2
160.07536	0.8
161.06003	2.2
163.03877	1.0
164.04262	1.0
164.07051	1.7
166.08633	2.1
188.07051	18.4
191.09422	0.7
192.06509	1.0
193.08595	2.1
205.98692	1.0
206.08107	74.1
207.06506	1.1
207.08311	0.7
210.11301	0.5
216.06558	0.6
224.04768	0.9
234.07602	2.1
234.11282	0.7
234.13429	1.9
237.09879	0.6
252.08777	1.9
252.12230	4.9
252.14542	9.2
252.21536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
54.72581	0.4
55.05515	0.7
55.58270	0.4
56.05031	0.6
63.45729	0.3
65.03930	0.7
68.84730	0.4
69.49422	0.9
69.49840	2.4
69.65202	0.4
70.02948	0.9
72.08151	2.4
73.06556	0.4
74.02439	21.9
76.74973	0.4
79.05493	0.4
81.07077	0.5
82.06555	0.5
84.08115	0.4
86.09683	0.4
88.03987	45.3
89.03939	0.5
90.09185	4.5
91.05476	100.0
94.53373	0.4
97.06540	0.7
98.21456	0.8
98.98457	0.8
99.00796	0.5
107.04942	0.5
110.09677	0.4
116.03447	16.8
117.03400	0.9
120.08096	2.0
133.06505	0.6
134.04483	67.0
135.04373	2.1
136.05145	0.8
136.06184	14.6
136.07559	2.2
145.02829	1.9
146.06026	1.0
147.04422	0.4
163.02524	0.9
163.03899	17.2
180.10168	1.1
206.08127	3.2
208.34196	0.4
210.11307	0.6
234.07635	5.3
234.13173	0.7
234.15190	0.9
252.08710	3.6
252.12213	1.2
252.14378	8.2
252.21487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1754
Annotation	Camoensidine N-oxide
Peak:m/z	Relative Intensity
55.01852	0.5
55.05502	2.1
56.96550	0.6
57.03423	0.5
57.07062	0.7
67.05492	0.9
67.20289	0.4
69.03410	0.9
70.06596	4.0
71.62549	0.7
72.08150	14.3
73.02908	0.5
73.06550	1.2
73.08461	1.3
75.57442	0.4
79.05482	1.1
81.03401	0.5
81.07046	1.1
82.06574	0.5
83.04981	0.4
84.04489	0.6
84.08143	5.6
85.02901	0.9
86.09696	2.1
89.03902	0.5
89.10781	3.1
91.05466	2.3
93.07033	1.3
94.06546	0.9
95.04971	0.7
95.08541	0.5
96.08131	2.1
97.02865	0.7
98.06062	2.6
98.09702	1.0
98.98460	21.3
105.07018	0.9
107.04920	1.2
107.08582	0.6
109.02897	0.5
110.06037	0.4
110.09663	1.6
112.07625	0.6
114.09129	0.5
115.08686	0.8
116.99491	1.0
117.03378	1.0
117.07023	0.7
118.06541	0.8
119.04938	3.7
119.08562	0.6
120.05249	0.6
120.08092	2.1
122.05975	0.9
122.09639	1.2
124.07605	1.1
124.11203	0.9
130.06487	0.5
133.05029	0.6
134.09637	1.6
135.04358	1.4
136.11209	0.9
140.10707	2.7
145.02846	2.9
146.03111	0.5
147.03242	0.8
147.04405	14.5
148.04741	4.3
148.07507	0.9
148.11203	2.4
149.04942	0.5
150.09138	6.2
150.12759	1.1
160.07571	0.9
160.11220	2.1
162.09140	5.3
163.03900	10.8
164.04269	1.3
164.07054	0.6
174.12822	0.6
174.99255	0.9
175.07521	0.4
176.10777	0.5
177.05447	2.9
178.05769	1.7
178.08591	0.7
179.15532	0.5
180.10176	12.2
180.11697	0.8
188.10693	21.0
189.11067	0.5
190.12302	1.2
192.13797	0.8
202.12271	1.3
206.11787	1.2
207.14955	2.2
209.12859	1.3
218.11772	2.1
219.12050	1.8
220.13420	3.6
221.16472	1.9
233.09276	0.5
233.16565	4.6
234.11234	3.2
234.14854	0.9
235.14410	2.3
242.13850	0.6
248.12828	1.0
249.13147	0.9
250.65063	1.6
251.13800	4.1
251.17546	100.0
252.17752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1752
Annotation	Camoensidine N-oxide
Peak:m/z	Relative Intensity
50.00989	0.3
55.01868	0.6
55.05498	1.2
57.07057	0.4
67.05514	0.8
68.05024	0.6
69.12692	0.3
70.06587	2.5
70.44430	1.3
72.08148	7.5
73.08481	0.7
79.05484	1.5
81.07048	1.5
81.94967	0.3
82.06577	0.8
84.08132	6.5
85.02853	0.4
86.09694	0.7
89.10782	1.2
91.05468	1.5
93.07022	1.1
94.06548	0.9
95.04950	0.3
95.07347	0.5
95.08611	0.8
96.08127	2.7
98.06040	1.0
98.09684	13.9
98.98456	16.2
99.10057	0.4
100.07600	0.8
105.06998	0.8
107.04936	0.6
107.08600	1.6
108.08149	0.6
110.02420	0.8
110.09667	5.6
112.07581	1.9
114.09181	1.6
116.99503	0.8
118.06554	0.4
119.08606	0.7
120.08106	1.2
120.58915	1.4
121.09087	1.1
122.09663	4.8
124.07590	1.7
124.11211	1.2
126.09229	0.4
129.06999	0.5
129.10158	0.4
131.08569	0.6
132.08102	0.5
134.09631	0.8
135.04366	1.0
136.06172	1.3
136.07561	0.9
136.11214	1.3
138.09134	0.4
140.10664	1.7
145.02803	0.5
145.06490	0.3
145.10173	0.5
146.05936	0.3
146.09679	0.7
147.04390	2.6
148.04721	0.8
148.07542	2.5
148.11258	0.3
149.77080	0.3
150.09131	2.9
152.07076	1.2
152.10670	0.8
157.10081	0.5
158.09647	0.6
159.11769	0.5
160.07587	0.6
160.11203	1.4
162.09135	0.7
163.03896	4.1
164.10703	7.0
166.12192	0.4
169.09825	0.6
173.06042	0.4
174.09082	0.4
174.12764	3.9
174.99260	0.7
176.10693	1.0
176.14354	1.1
177.05470	0.8
179.80194	0.3
180.10178	0.7
184.11227	0.6
190.12305	1.4
193.53944	0.4
202.12244	11.0
204.13832	1.4
205.08640	0.3
205.17078	1.9
205.18660	0.3
205.98880	0.3
209.12903	1.7
218.11679	0.5
220.13341	4.6
233.16479	20.4
234.11253	0.8
234.14781	0.6
234.16869	0.6
249.19601	8.2
250.65231	0.9
251.14156	1.8
251.17552	38.9
251.21184	100.0
252.17821	0.8
252.21431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1753
Annotation	Camoensidine N-oxide
Peak:m/z	Relative Intensity
52.56512	0.2
55.01871	0.5
55.05503	1.6
56.05024	2.0
56.82106	0.1
56.96548	0.3
57.07063	0.2
67.05493	2.4
68.05026	0.5
69.03423	0.2
69.07063	1.1
70.06583	1.8
70.07388	0.2
71.04985	0.3
71.62995	0.2
72.08148	9.6
73.02909	0.2
73.08475	0.4
79.05482	4.3
80.05000	0.2
81.03386	0.3
81.07052	1.0
82.06572	0.5
83.04978	0.4
83.08591	0.2
84.04488	0.4
84.08135	1.5
85.02905	0.4
86.06057	2.0
86.09704	2.2
87.09978	0.2
88.03954	0.2
89.03911	0.7
89.10780	3.6
91.05470	1.6
93.07037	4.4
94.06558	1.2
95.04967	0.8
95.08592	0.6
96.08120	4.4
96.08744	0.2
97.02853	0.2
97.06538	0.3
98.06042	1.6
98.09682	11.6
98.98456	14.7
105.07021	1.0
107.04967	0.8
107.08584	0.6
109.02866	0.5
109.06503	0.3
109.10155	0.4
110.02442	0.2
110.03197	0.3
110.06029	0.2
110.09687	0.4
111.04388	0.2
112.07593	0.3
114.05525	1.4
114.09158	10.0
115.05473	0.4
115.08672	0.5
116.07090	0.2
116.98643	0.3
116.99487	0.8
117.03358	1.1
117.07006	0.6
119.04910	0.6
119.08586	0.6
120.28302	0.1
120.58907	0.5
121.02837	0.2
121.06512	0.2
121.09071	0.5
121.10127	1.7
122.09653	0.7
123.04445	0.3
123.08075	0.2
124.07584	0.2
125.06037	0.2
126.05495	0.3
128.07040	0.3
129.10304	0.2
131.04906	0.4
131.08597	0.3
133.06470	0.5
133.10083	0.3
134.03624	0.3
134.09651	0.5
134.99669	0.3
135.04395	2.6
135.08028	0.2
136.06183	0.8
136.07524	0.2
136.11211	1.6
137.06624	0.1
138.09117	0.6
138.12767	1.0
139.07527	0.2
140.01042	0.2
145.02843	2.2
145.06487	0.4
145.10130	0.5
147.04417	1.7
147.08067	0.2
148.04688	0.8
148.07570	0.4
150.09143	0.5
152.05675	0.5
152.07074	0.5
153.05949	0.2
154.08632	0.2
157.10091	0.2
159.11696	0.3
161.05952	0.7
162.05452	0.2
162.09131	0.2
163.03894	15.8
163.09920	0.9
163.11098	0.2
164.04288	0.4
164.10704	16.7
165.11124	0.2
166.08643	0.2
167.07043	0.3
169.09821	0.3
173.05995	0.2
173.96825	0.2
174.12747	0.2
174.99214	0.6
175.03967	0.2
175.07452	0.2
177.00688	0.2
177.05453	0.7
177.12679	0.1
178.05974	0.2
180.10190	0.6
181.13319	1.1
184.87280	0.2
187.14983	0.2
188.10707	0.7
190.12259	0.1
191.06978	0.5
191.11816	0.6
191.14284	0.2
193.08559	0.9
201.13840	0.2
202.12279	0.9
204.13850	0.4
205.08685	0.2
205.12312	0.2
209.12833	43.0
210.13150	0.6
215.14378	0.2
218.11725	0.4
220.07779	0.4
220.13333	0.3
223.07649	0.2
233.04483	0.2
233.08029	0.2
233.11702	0.4
233.16437	0.8
233.63893	0.3
234.11235	2.3
235.14453	0.2
242.11913	0.2
242.64389	0.6
249.19604	12.3
250.65070	0.4
251.14005	4.1
251.17560	68.0
251.21170	100.0
252.12294	0.9
252.17929	1.8
252.21410	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	251.1753
Annotation	Camoensidine N-oxide
Peak:m/z	Relative Intensity
51.99125	0.6
53.03913	0.6
55.01876	1.1
55.05500	2.8
56.35693	0.6
66.54820	0.7
67.05492	1.4
70.01901	2.4
70.02318	1.5
70.06590	4.8
72.08151	49.2
73.08483	1.2
79.05485	2.0
81.07048	1.3
82.06564	0.9
84.08138	23.7
86.09686	0.8
88.00323	0.6
88.58298	0.5
89.03914	3.2
89.10786	24.9
89.11336	1.5
91.05486	2.6
93.07036	2.5
95.04958	0.9
95.08643	0.8
96.08115	1.2
97.06550	0.7
97.60649	0.7
98.06068	4.5
98.09629	0.6
98.21380	1.1
98.98458	23.1
106.06539	1.6
106.07249	0.7
107.04955	3.1
107.08556	0.9
109.06538	0.9
110.06056	0.8
110.09672	3.1
112.07639	0.8
115.08689	1.2
116.99416	1.1
117.03360	4.6
117.07000	0.8
118.06518	1.9
119.04940	2.4
120.08083	2.0
121.02846	1.0
122.09672	4.0
124.07560	1.5
124.11234	1.0
132.08177	0.7
134.06035	1.0
134.09624	1.7
135.04410	14.5
136.07486	0.8
136.11230	1.0
140.10660	1.1
143.08543	0.9
145.02841	12.8
145.06358	0.5
147.04387	11.0
147.06844	0.9
148.04753	3.6
148.07564	5.0
150.09135	8.4
152.10672	2.2
160.07593	2.6
160.11186	2.1
162.09135	5.3
163.03896	76.3
164.04282	2.3
166.08623	0.7
171.40776	0.6
174.12787	10.0
174.99246	1.2
177.05481	2.1
178.05746	1.2
180.10181	33.8
180.73827	0.7
188.10808	0.6
190.12306	0.8
191.11826	1.9
192.13802	1.4
202.12259	59.8
203.12688	0.9
208.86690	0.7
218.11749	1.6
219.12132	1.0
220.13345	10.6
221.16597	1.0
233.16484	47.8
234.11270	10.3
234.14696	0.9
234.16812	1.0
235.14424	1.9
251.13908	22.0
251.17537	100.0
252.17813	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	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03936	2.0
55.01868	1.9
55.05509	10.2
55.82195	0.8
56.96558	3.1
57.03434	1.8
57.07065	1.1
59.04998	1.0
65.03939	2.1
67.05499	24.5
69.03389	1.0
69.07063	8.1
71.04983	3.1
71.62315	1.2
72.08157	6.2
73.06564	1.3
79.05489	30.6
81.03426	3.7
81.07053	33.1
83.04983	2.5
83.08620	3.7
85.06531	1.7
89.10788	2.1
91.05475	39.5
93.07043	19.7
95.04960	11.0
95.08597	16.9
97.06538	3.2
98.98460	100.0
103.05466	3.2
105.07024	34.8
107.04948	11.1
107.08584	7.6
109.06516	7.6
109.10161	4.2
111.08049	1.3
115.05478	1.7
116.99487	5.3
117.07008	11.8
119.04975	1.4
119.08580	26.8
121.06509	3.5
121.10094	5.6
123.08056	2.3
123.11721	1.7
125.09653	1.3
129.07005	5.0
131.07545	1.8
131.08557	24.0
133.06493	4.1
133.10130	7.4
135.04419	2.0
135.08064	3.4
135.11717	1.5
137.09586	1.1
140.01064	2.9
141.06972	2.3
143.08600	2.2
145.02823	1.5
145.06438	1.2
145.10107	9.1
147.08060	2.2
147.11696	2.3
149.09601	1.9
155.08577	4.1
157.10072	1.3
159.08083	1.7
159.11694	3.3
160.07579	1.1
163.03908	10.8
169.10130	2.8
171.11711	3.9
171.21017	1.0
173.09645	1.3
173.13220	4.6
174.99205	6.5
185.13278	1.0
187.11192	1.3
187.14818	6.1
189.12737	0.9
193.08578	1.1
197.13310	4.5
205.15884	2.7
205.98804	2.4
215.14359	4.7
215.17923	1.3
233.15361	28.1
234.11301	2.0
251.07086	1.9
251.13867	3.6
251.16473	4.8
251.20366	2.8
252.12358	3.3
255.47235	0.9
269.10468	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	251.139
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
55.01848	0.5
55.05511	2.6
68.05009	0.5
69.05801	0.9
69.07058	0.7
70.00648	1.1
70.01059	1.0
70.06575	3.6
71.06919	1.0
72.08151	39.4
73.08482	1.8
74.20042	0.4
79.05488	1.5
81.65598	0.5
84.08146	2.0
86.09719	2.2
86.66415	0.4
89.03903	3.2
89.10787	17.5
91.05457	1.4
93.07056	0.6
95.04923	0.5
96.08134	2.1
98.06055	1.8
98.09679	8.0
98.98462	9.8
105.07061	0.7
107.04958	3.4
107.08540	0.5
110.02379	0.6
114.09162	6.4
115.08675	2.2
117.03374	5.7
117.06983	0.6
119.04959	0.7
120.58910	1.7
121.09081	1.7
127.08702	0.5
129.10269	0.6
129.80829	0.4
133.02811	0.5
134.03540	1.6
135.04439	13.0
141.10229	0.5
141.72498	0.5
145.01726	0.8
145.02835	12.0
145.03978	0.6
147.04428	3.9
148.04745	1.2
150.09129	2.3
152.07050	1.1
153.07372	0.5
162.03317	0.5
162.05457	0.6
163.03894	100.0
164.04274	1.5
164.10722	0.5
169.09680	1.4
170.10100	0.5
174.99207	0.8
177.05481	1.2
186.12231	0.4
192.10159	0.5
206.10748	1.0
209.12852	6.6
218.11742	0.5
223.13310	0.6
224.07664	0.4
233.16557	0.5
234.11261	15.2
235.14220	0.6
242.64447	1.4
243.14459	0.6
249.19635	8.5
250.65231	0.5
251.11320	0.7
251.13860	27.2
251.17538	7.7
251.21165	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	251.139
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
55.05502	0.9
56.96555	0.9
57.33792	0.4
63.02387	0.4
70.06573	0.7
71.32340	0.9
72.08150	44.3
73.08492	0.5
79.05472	0.8
81.04510	0.6
82.05305	0.9
84.08134	1.8
85.02882	0.8
86.06053	0.9
89.03904	4.7
89.10785	29.0
95.04962	0.5
96.08146	0.5
97.02866	0.5
98.06040	1.4
98.97561	0.5
100.02496	0.5
107.04955	2.5
108.47353	0.4
110.07162	4.4
115.08687	1.3
117.03370	8.6
119.04942	0.9
120.08112	0.8
120.58949	0.5
121.09094	0.5
122.09652	0.6
135.04408	17.8
140.10641	0.6
144.17493	0.4
145.02835	15.5
145.03990	0.7
146.03090	0.5
146.72595	0.4
147.04411	2.0
148.04784	0.9
150.09134	1.2
157.04433	0.5
160.08661	0.6
161.05511	0.7
162.09114	1.2
163.03893	100.0
164.04160	0.9
170.06096	0.7
177.05460	1.2
178.05806	0.7
180.10181	3.0
196.00819	0.8
202.12274	0.7
214.01752	0.5
218.11821	0.7
220.13316	0.8
228.03549	0.5
233.16579	2.1
234.11240	12.8
242.13849	0.5
249.13144	0.4
251.11368	10.2
251.13902	29.9
251.17548	5.3
269.05453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78812	1.0
55.01858	1.8
55.05495	2.4
56.05035	1.9
56.96558	10.9
57.03438	6.9
57.07059	1.7
58.99863	1.5
61.02917	8.9
67.05490	1.5
68.05022	4.0
68.27130	1.1
69.03434	5.2
69.07018	1.3
70.06578	2.2
70.07784	5.1
70.08198	1.5
71.01353	1.4
71.04986	2.1
71.74481	1.1
72.08152	41.9
72.67672	1.1
73.02905	4.5
75.04462	2.7
75.96338	1.0
77.00905	4.0
79.05479	2.4
81.03436	1.6
81.04533	2.9
81.07046	2.1
82.01460	4.2
82.05318	9.8
83.06095	3.6
84.08134	3.4
85.02892	10.0
86.06066	12.8
88.03990	1.2
89.03904	2.2
89.10785	19.3
91.02463	1.5
91.05484	2.8
93.04525	2.0
95.01955	2.1
95.04990	1.8
95.08578	1.2
97.02897	5.5
98.06047	2.4
98.09694	1.6
98.97612	4.1
98.98460	95.2
100.02473	40.9
105.07021	2.5
107.04934	4.8
109.02863	2.0
110.07159	46.8
112.45138	1.1
113.02390	2.4
114.05502	1.5
114.09160	2.2
115.08694	1.7
116.98606	5.0
116.99511	4.6
117.03353	5.2
118.01105	2.1
118.03520	28.3
119.01887	5.8
119.04911	1.6
119.08590	1.7
121.01663	4.0
121.03999	1.5
121.10136	1.2
126.98746	2.2
127.03933	4.2
128.98569	1.3
131.00146	1.3
131.01904	2.9
133.03467	2.7
134.02277	1.2
134.99609	2.8
135.04407	17.3
136.11737	1.1
138.05515	2.2
138.06570	1.3
139.02637	1.6
140.01129	1.6
140.02284	1.0
141.05116	1.0
144.63220	1.1
144.99809	28.0
145.01794	1.8
145.02751	9.0
146.99591	2.8
147.04404	3.0
148.03777	2.0
148.04776	4.0
149.02994	1.9
150.01785	2.7
151.04512	1.6
154.03598	1.4
154.04739	1.1
154.98268	3.3
156.83778	1.2
157.02608	1.7
157.04401	2.8
158.99579	1.7
159.11684	1.7
160.08670	7.3
160.97589	1.3
161.01204	2.1
161.05559	2.6
162.09135	1.3
163.00986	6.9
163.03893	85.2
166.06099	3.4
168.01433	17.6
172.99312	29.7
174.99232	4.4
176.10596	1.2
177.00801	2.5
177.02415	6.2
177.99915	3.3
178.09744	4.5
180.10194	1.3
186.02504	1.7
186.99265	1.9
187.00890	3.7
187.02452	1.4
188.08327	2.6
190.98625	2.2
191.00362	30.3
193.00145	1.6
195.03520	2.2
196.00899	80.5
197.01152	2.0
198.02747	1.4
200.04041	1.4
202.12360	1.7
205.00146	2.3
205.01906	5.5
205.10828	4.1
208.99837	1.3
210.02509	2.4
212.02597	1.9
212.04485	2.6
214.01968	44.7
219.02509	8.3
219.07147	2.8
223.03073	1.9
223.11827	3.7
228.03517	46.3
233.10243	2.5
233.16594	6.5
234.09087	1.5
234.11279	14.6
237.03394	1.8
246.04588	10.5
251.05098	6.5
251.11392	100.0
251.13931	30.0
251.17781	9.8
254.49396	1.3
269.05466	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	251.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
55.05504	2.7
56.05031	1.6
56.96561	18.3
57.03436	8.3
57.07087	1.4
58.99858	2.2
59.04983	1.7
59.79358	1.1
61.02637	1.7
61.02921	21.9
62.04204	1.1
66.09869	1.1
67.05482	1.2
68.05009	4.1
69.03424	8.1
69.07047	1.5
70.06594	1.6
71.01330	1.2
71.04966	3.6
71.60802	1.8
72.08144	7.3
73.02921	6.1
73.51058	1.2
75.04472	1.3
77.00875	3.8
79.05480	2.5
81.03412	4.0
81.04523	1.2
81.07069	3.4
82.01440	3.9
82.05315	8.3
83.04967	2.8
83.06091	2.5
84.08121	3.9
84.96030	2.0
85.02898	20.0
86.06052	11.0
87.04455	2.2
88.03963	1.5
88.99125	1.2
89.00823	1.4
89.10780	1.9
91.02406	2.0
91.05459	1.7
92.01287	1.4
93.04498	2.3
93.05495	2.3
93.07019	2.8
95.01925	1.9
95.04951	2.7
95.08586	2.0
97.02893	7.6
98.97588	7.8
98.98460	100.0
99.04411	1.6
100.02473	44.3
101.02454	1.7
103.02447	2.5
105.07028	2.4
107.00185	1.6
107.04979	1.3
107.08581	2.8
109.02862	2.7
109.03551	1.9
110.07156	41.6
112.02854	1.1
113.02382	3.7
115.02437	2.2
116.98605	8.3
116.99486	5.6
117.01880	1.4
118.01072	2.8
118.03515	33.2
119.01861	4.6
119.08566	1.5
121.01629	4.6
121.06503	1.3
123.04046	1.9
126.98778	2.3
127.03911	5.5
128.98553	2.5
131.00125	1.8
131.01871	2.4
131.08565	1.2
132.00742	2.1
133.01505	1.2
133.03421	5.1
133.06447	1.2
133.10133	1.4
134.99644	5.2
135.01282	1.4
135.03125	2.4
135.04311	1.3
137.02884	2.4
138.06586	1.6
141.01236	3.8
141.05132	1.5
142.96556	1.6
143.00096	1.6
144.99812	27.3
145.01617	2.1
145.03433	3.5
145.04973	2.0
145.10112	1.7
146.05043	1.6
146.99637	4.7
147.01367	2.0
148.01996	1.8
148.03845	1.8
148.04887	1.7
149.01205	4.4
149.02853	2.1
149.09599	1.8
150.01787	6.7
150.52110	1.2
154.98291	2.3
157.02536	12.6
158.99710	1.7
159.11679	3.1
160.08673	6.1
160.97522	2.2
161.01160	3.7
161.02917	3.1
161.05540	8.1
163.00874	8.7
163.02762	1.6
163.03816	8.2
165.00717	6.4
166.03093	1.4
166.06125	4.1
168.01410	14.6
170.05994	8.6
170.13364	1.1
170.56085	1.4
172.99313	31.8
173.00909	2.4
174.99144	7.4
175.04462	2.5
175.11224	1.4
177.00703	4.2
177.02400	7.3
177.03926	1.3
177.06061	2.1
177.99878	2.1
178.09711	4.6
181.56906	1.9
182.01563	1.9
184.01332	2.0
184.04729	1.6
186.02463	1.5
186.99231	2.2
187.00871	4.4
187.02699	2.1
187.04404	1.8
188.08134	1.3
188.96942	1.9
190.98642	4.1
191.00357	35.2
191.02132	4.5
193.00218	3.2
196.00911	90.1
201.00674	2.1
204.44730	1.3
205.00157	4.0
205.01906	9.8
205.15907	1.5
206.02260	1.5
208.99571	2.0
210.02382	2.5
212.02534	2.6
214.01949	56.0
215.02307	1.7
219.02574	8.7
219.07068	7.1
223.01154	2.8
223.03062	2.0
223.11957	2.3
226.02219	3.0
228.03514	48.5
229.03697	2.7
233.15108	4.2
234.11182	2.2
237.03279	2.1
246.04543	10.2
251.04938	6.3
251.11374	79.3
251.13638	4.2
251.16418	3.8
251.19974	2.3
269.05359	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	250.1436
Annotation	4-O-Dimethylallyl-L-tyrosine
Peak:m/z	Relative Intensity
55.01858	1.7
55.05500	5.4
57.13894	1.2
59.54162	1.4
67.05499	3.2
69.07064	56.9
69.53763	10.4
70.06579	6.1
72.08150	32.0
79.05493	8.9
80.05031	1.2
81.07047	1.8
85.05283	1.6
86.09705	5.8
89.10808	2.2
91.05481	10.8
91.36221	1.2
92.05781	1.3
92.96174	1.4
93.07059	2.4
95.04977	2.7
97.06523	17.4
98.06036	1.8
98.20708	2.4
98.98459	27.4
103.05469	3.9
103.41768	1.3
104.10738	1.3
105.07030	7.7
106.06633	1.3
106.07337	1.9
107.04952	17.3
107.08581	1.2
110.02382	3.9
119.04929	24.2
119.08524	1.3
120.05724	3.4
120.58909	13.1
121.06496	7.8
121.09029	1.9
123.04409	3.5
124.07562	4.4
129.10258	1.6
130.06497	1.6
131.04921	12.9
131.08559	6.1
132.08931	1.9
133.05463	1.8
133.06496	10.2
133.10048	1.5
134.03616	4.9
135.04407	65.5
135.06804	4.1
136.07553	15.0
137.05980	9.6
145.02870	1.5
145.10103	4.0
146.10506	1.5
147.04404	100.0
148.04761	4.9
148.07550	31.9
148.08675	1.9
149.05983	9.0
150.09148	2.3
152.07031	3.8
159.04416	11.3
160.08406	2.6
163.03883	4.6
163.11131	2.0
165.05492	3.0
169.09827	4.1
173.09587	2.2
174.99309	1.5
177.05457	19.6
177.06879	2.1
178.05049	2.8
182.08122	4.2
186.13605	1.9
187.11174	14.3
188.07938	1.9
189.09090	2.0
191.10657	86.7
194.08109	38.2
198.50964	1.3
204.13823	35.5
205.08119	1.6
215.10678	3.9
221.13957	1.3
224.11612	1.3
232.10222	2.2
232.14120	7.5
233.11728	81.7
242.09354	1.9
250.06871	1.8
250.11426	12.0
250.14468	24.6
250.17825	3.0
251.10710	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19465	0.2
55.05492	0.3
58.02959	0.2
63.06560	0.2
65.03944	0.5
70.06590	0.3
71.08765	0.2
71.09100	0.3
72.08150	2.0
86.06059	2.1
86.09702	0.3
87.04453	0.5
89.10788	0.2
91.05471	6.5
93.07075	0.2
98.98457	0.5
104.07130	0.8
105.06993	0.4
110.02361	0.3
115.89271	0.2
118.04089	0.1
119.04933	21.6
120.05281	0.4
120.58918	1.1
129.10197	0.3
134.15266	0.2
139.63356	0.1
147.04396	100.0
148.04749	1.4
152.05699	0.3
152.07053	0.3
161.05957	0.3
163.03903	0.6
169.09700	0.3
177.05458	0.3
177.91844	0.2
178.04865	0.2
178.06204	0.7
193.08696	0.2
199.15263	0.1
218.11726	0.2
232.13934	0.2
248.12749	0.3
250.10725	5.0
250.14809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
56.96549	0.4
58.02955	1.9
58.06591	0.2
65.03951	0.4
67.05492	0.4
69.03420	0.4
69.07055	0.4
70.06594	1.6
71.61362	0.5
72.08152	6.3
79.05503	0.6
81.07060	1.5
82.07401	0.4
84.08152	0.6
85.02896	0.4
85.05271	0.4
86.06062	2.4
86.09702	1.1
87.04476	0.4
88.07613	0.3
89.10774	0.5
91.05476	7.3
92.05756	0.3
93.07024	0.6
95.04996	0.6
95.08599	0.3
97.02879	0.4
97.06520	0.6
98.09682	0.6
98.97576	0.5
98.98461	6.2
103.05470	0.5
104.07135	1.2
105.07024	3.4
106.07362	0.5
107.04932	0.5
107.08612	0.5
108.08918	0.3
109.06490	0.3
110.02390	0.7
115.05473	0.3
116.98660	0.3
117.06999	0.2
118.04111	0.5
118.07333	0.3
119.04937	22.6
119.08602	0.3
120.05296	0.5
120.08878	0.3
120.58913	2.3
121.09097	0.4
124.07566	0.3
127.59745	0.3
129.10208	0.7
130.07333	0.5
131.04887	0.6
132.05679	0.3
133.06491	2.4
134.03645	0.4
136.05209	0.3
136.06177	0.6
137.06000	0.7
145.02866	0.5
145.06366	0.2
145.10052	0.4
146.03596	0.9
146.10460	0.5
147.04401	100.0
148.04712	1.9
152.05685	9.0
152.07027	1.1
153.04063	0.9
158.10434	0.4
160.05148	0.3
160.07492	0.5
160.12070	0.4
161.05960	2.5
163.03902	1.1
169.09709	0.8
172.12041	0.3
174.99200	0.4
175.03894	0.8
177.05489	1.6
178.04884	1.0
178.06247	5.6
184.69812	0.2
186.13608	1.1
189.07761	0.5
190.04840	0.3
191.07043	0.3
192.13966	0.3
193.08543	1.6
204.14598	0.5
205.04958	0.3
205.08150	0.3
207.06509	0.9
208.16974	0.4
214.13022	0.4
217.07300	0.6
218.08076	0.3
218.11821	0.8
220.06129	0.3
220.09837	0.3
232.10019	0.4
232.14093	2.9
233.11743	0.6
234.09415	0.3
235.08350	0.8
235.14511	0.3
241.63472	0.4
248.12804	0.5
249.19618	0.3
250.10742	26.1
250.12930	2.3
250.18027	0.8
250.20070	0.4
250.34296	0.2
251.11119	0.7
251.13831	0.4
251.16573	0.3
251.21149	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	249.2212
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
50.17024	2.7
55.05504	10.4
57.07063	7.0
59.05006	4.5
65.67004	3.0
67.05499	100.0
67.26311	3.0
69.07077	6.9
69.44791	11.7
69.45222	18.3
79.05483	23.3
81.07047	94.0
83.08625	6.6
85.06523	3.8
91.05474	12.0
92.72662	3.5
93.07034	21.3
95.08604	71.4
98.21491	6.5
105.06995	15.8
107.08588	14.8
109.10136	47.4
114.29694	2.9
117.06995	4.9
119.08585	13.0
121.10143	14.5
123.11707	28.8
129.07021	5.4
131.08549	5.3
133.10135	11.0
135.11684	11.4
137.13248	9.5
143.08549	7.1
145.10110	11.7
147.11674	7.4
149.13254	10.5
157.10121	3.8
161.13237	7.2
173.09627	7.4
175.07594	3.6
175.14792	6.8
185.13269	10.9
203.14279	6.8
213.12778	3.9
231.13792	28.5
231.21158	15.7
249.14684	4.9
249.18410	5.8
249.22145	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2212
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03945	2.6
55.05503	11.0
57.07061	5.1
59.05003	1.6
65.03922	3.0
66.06608	1.0
67.05502	95.8
69.06709	1.3
69.07064	14.4
71.04982	2.1
71.08611	2.3
71.63445	1.8
72.08142	4.0
73.67648	1.0
79.05058	2.1
79.05489	33.9
81.07051	100.0
81.46635	1.1
83.04952	2.1
83.08614	8.6
85.05830	1.1
85.06519	3.0
91.05473	25.2
93.07039	37.0
93.07620	2.4
95.04964	7.3
95.08603	83.8
97.06528	5.8
97.10156	3.2
99.04377	1.1
99.08067	3.0
100.90235	1.0
105.07021	21.6
107.08588	17.8
109.02873	2.0
109.06501	2.1
109.10155	21.4
111.08057	2.9
113.09612	1.9
117.07009	4.8
119.08572	17.3
121.02815	1.2
121.06539	1.4
121.10133	11.4
123.04420	2.6
123.08038	1.8
123.11697	15.1
128.06212	2.0
129.06996	4.4
130.07780	2.4
131.08559	6.5
133.06543	1.5
133.10117	17.9
135.07988	2.0
135.11702	10.0
137.05951	2.2
137.13258	12.0
142.07793	1.5
143.08560	9.3
145.10127	16.0
147.04373	2.1
147.08055	2.3
147.11670	10.9
149.13245	12.3
151.14857	2.1
155.08539	1.6
156.09348	1.5
157.06477	1.2
157.10129	5.6
159.07991	2.5
159.11665	3.8
161.09598	4.3
161.13232	14.3
163.14807	3.1
171.08017	3.2
171.11633	3.4
173.09624	4.2
175.07529	4.7
175.11176	2.2
175.14793	9.7
178.05023	2.0
179.14247	1.6
185.13255	14.3
189.09100	2.0
189.12692	2.2
189.16347	3.0
191.10675	1.9
193.12236	2.3
195.11702	2.0
203.10602	1.4
203.14331	10.2
213.12784	3.7
231.10245	1.8
231.13786	40.9
231.17337	2.3
231.21075	17.5
232.13995	1.3
249.11104	7.2
249.14673	8.4
249.18320	10.1
249.22124	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	249.1847
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
50.21876	0.5
50.43715	0.4
55.05508	10.7
57.03439	0.6
57.07078	2.2
59.04991	1.2
67.05504	4.5
69.07066	5.4
70.35195	2.2
77.85709	0.4
79.05492	3.3
81.07053	6.9
83.04979	0.5
83.08611	3.8
86.53704	0.5
91.05470	4.5
91.48792	0.6
93.07038	8.1
93.07616	0.6
95.04993	0.8
95.08602	14.4
97.10152	3.1
98.21383	0.7
105.07024	11.0
105.07673	0.9
107.08582	12.2
107.09277	0.6
109.06512	0.9
109.10142	9.7
111.04451	0.7
111.08065	0.7
117.07008	1.4
119.08578	21.0
121.06532	0.7
121.10122	8.5
123.08019	0.8
123.11724	2.2
125.06012	0.9
125.09623	0.7
126.36674	0.5
128.06200	0.8
129.06979	1.0
131.08568	1.9
133.10120	24.3
135.08041	0.6
135.11700	4.6
139.07547	1.2
143.08569	2.3
145.10100	3.8
147.04323	0.7
147.07956	0.6
147.11679	18.8
149.09607	0.6
149.13261	3.1
151.07555	1.1
153.09090	6.3
156.09348	0.8
157.10130	1.3
159.08107	0.8
159.11624	2.7
160.12401	0.6
161.09608	1.2
161.13252	8.9
163.14848	1.5
165.09084	1.5
167.10648	5.9
171.11656	0.8
173.09644	1.5
174.14030	1.2
175.07590	1.0
175.11224	0.8
175.14824	3.7
178.05055	0.6
179.10620	2.5
185.13243	3.8
189.12694	0.7
189.16360	0.8
193.12253	2.4
194.45361	0.5
203.17947	100.0
204.18327	2.9
205.19475	4.5
207.13792	1.0
213.12737	0.9
221.19014	4.7
231.13770	8.3
231.17346	3.9
249.11252	1.2
249.14818	1.5
249.18488	18.0
249.22246	0.9
264.95145	0.5
266.92554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
52.66248	1.3
55.05504	7.4
57.07043	4.0
57.81364	1.4
59.04976	1.9
67.05493	9.5
69.07073	12.2
69.58242	3.8
69.58672	7.0
71.04981	5.6
72.08112	1.4
79.05488	9.3
79.65162	1.1
81.03393	1.9
81.07056	12.1
83.08597	5.4
85.06498	4.2
91.05474	11.8
93.07029	21.7
95.04963	3.3
95.08045	1.8
95.08601	25.8
97.06515	2.0
97.10151	3.0
105.07022	29.8
106.94283	1.4
107.08580	25.4
109.06487	3.3
109.10147	12.9
111.20248	1.3
117.06992	4.9
119.08570	60.3
121.06459	2.3
121.10126	19.0
122.23458	1.3
123.08051	3.1
123.11673	5.7
127.07454	1.6
128.06104	1.5
129.06998	2.0
130.07785	1.3
131.08533	4.8
133.06506	2.3
133.10124	33.2
135.08046	2.3
135.11674	24.6
139.07503	6.8
143.08525	5.9
145.10112	12.6
147.08023	3.1
147.10634	2.1
147.11687	28.1
149.09599	1.5
149.13231	3.3
151.07513	4.2
153.09079	11.5
157.10118	4.4
159.11670	5.2
161.09607	4.4
161.13252	4.6
165.09096	5.3
167.10651	3.8
171.11777	1.7
173.09595	4.6
175.07570	2.1
175.11130	2.6
175.14729	2.0
179.10657	5.6
181.38058	1.3
185.13231	7.8
187.14784	4.2
189.08965	2.1
189.12717	4.7
189.16367	100.0
190.16666	3.5
191.10632	1.7
193.12161	7.5
195.11670	1.4
203.14259	6.8
203.17891	5.8
204.07845	1.3
207.13739	3.5
213.12740	4.3
213.16481	1.5
231.13792	26.4
231.17361	11.6
249.03625	1.4
249.11197	3.8
249.14813	5.1
249.18469	62.9
250.18993	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	249.1847
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
50.37435	0.4
53.03941	1.0
55.05509	6.9
57.07062	1.2
58.96705	0.5
59.04978	1.6
65.03934	0.6
67.05511	3.7
69.07054	6.7
70.37532	2.0
71.04958	0.6
72.08125	1.3
79.05486	3.1
81.07046	7.7
83.08618	2.9
91.05470	4.7
92.98536	0.4
93.07041	5.7
95.04951	0.8
95.08597	17.3
97.06504	0.9
97.10168	3.4
98.20761	0.6
99.08101	0.5
105.07017	9.4
106.56542	0.5
107.04960	0.6
107.08589	10.2
109.02868	0.7
109.06503	1.3
109.10147	6.8
111.08096	0.5
111.11716	0.9
115.05434	0.7
117.06981	2.3
119.04953	0.7
119.07786	0.9
119.08575	11.9
121.02851	0.7
121.06488	1.5
121.10143	4.3
123.08074	2.1
123.11700	1.7
125.05970	1.0
125.09624	0.7
128.06200	1.4
129.07037	2.2
131.08566	3.3
133.06558	1.0
133.10118	12.0
135.08058	3.6
135.11661	3.0
137.05977	1.0
137.09590	1.1
137.13213	0.8
139.07512	2.2
142.07751	0.9
143.08566	5.1
145.10110	7.9
147.04353	0.8
147.08015	2.3
147.11679	6.3
149.08542	0.5
149.09633	1.1
149.13263	0.7
151.07552	2.0
153.09093	7.3
155.08597	0.6
157.06438	0.5
157.10117	3.6
159.08069	0.6
159.11670	2.3
161.05949	0.9
161.09633	3.1
161.13193	3.7
163.11128	0.8
163.14809	0.5
165.09106	1.9
167.10580	0.8
170.10889	0.5
171.08041	1.1
171.11682	1.9
173.09601	3.0
173.13194	0.7
175.07504	1.6
175.11217	2.9
175.14830	1.8
177.09109	0.5
179.10681	2.5
181.12219	0.8
185.13246	8.5
187.14867	0.8
189.09061	1.1
189.12701	2.5
189.16371	4.1
191.10661	1.1
193.12198	2.2
195.11714	0.9
203.10666	0.9
203.14299	4.3
203.17940	10.8
207.11552	0.5
207.13744	1.3
213.12770	3.0
213.16391	0.8
231.13794	19.0
231.17345	6.6
232.13959	0.7
234.14024	0.6
249.11232	2.0
249.14801	3.6
249.18477	100.0
250.18788	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.7
57.07062	0.9
59.04997	1.2
67.05489	2.8
68.05033	0.9
69.03416	1.3
69.07055	1.2
72.08147	2.5
79.05494	4.9
80.38862	0.6
81.05801	1.4
81.07052	7.8
81.23345	0.6
82.11675	0.6
85.02867	0.6
85.06550	0.9
86.09671	0.9
91.05472	7.8
93.07047	3.8
94.06561	2.6
95.04969	2.0
95.08582	3.4
96.04482	7.6
96.08125	5.7
97.02913	0.7
97.05260	1.3
97.06501	1.2
98.06075	0.9
98.09657	3.4
98.21535	1.2
100.11203	0.6
103.05466	2.6
105.07035	6.6
106.06530	1.1
107.04928	1.2
107.08588	4.7
108.08125	4.6
109.02870	0.7
109.06520	2.7
109.10150	2.8
110.06033	18.4
110.06763	1.2
110.09667	1.8
111.08112	0.6
115.05444	7.6
116.06246	1.4
117.07009	12.7
119.04927	1.1
119.08576	5.7
121.06524	1.4
121.10143	2.6
121.90348	0.7
122.06003	3.4
123.08095	1.6
123.78283	0.6
124.07586	36.1
125.08364	26.3
126.09147	23.1
128.06201	3.7
129.06999	10.0
130.07773	2.3
131.04904	1.2
131.08556	9.6
133.06526	2.0
133.10139	4.0
134.09656	6.6
135.08060	1.6
135.10416	0.8
135.11667	1.0
136.07597	0.8
141.06973	3.9
142.07764	3.1
143.04977	0.9
143.08556	6.4
144.05684	3.2
145.06479	13.2
145.10107	6.9
146.03557	0.8
146.07228	0.6
147.04419	3.0
147.08072	2.2
147.11691	1.5
147.45906	0.6
149.06093	0.7
151.07570	1.4
152.10681	6.0
153.06950	1.1
154.12303	0.9
155.06047	2.8
155.08592	0.9
156.05766	0.8
156.09319	0.7
157.06496	3.5
157.08990	0.9
157.10091	3.7
158.07333	0.9
158.09700	0.9
159.04431	2.7
159.08031	9.6
159.10449	1.1
159.11728	2.8
160.11162	0.7
161.05981	3.3
161.09604	4.6
161.13293	0.9
164.10669	1.2
167.07072	0.9
170.07268	2.3
170.10896	1.0
171.04463	1.5
171.08043	3.9
171.11722	2.2
172.05269	1.3
173.06006	4.2
173.09657	1.9
173.12000	1.0
174.06747	1.0
174.09122	1.6
175.07478	3.3
175.11200	2.2
175.14810	1.0
180.09293	0.7
185.13237	9.3
186.12802	3.9
187.07542	5.4
187.14919	0.8
188.14355	7.9
189.05455	6.1
189.09053	3.7
189.12785	1.9
190.06224	0.8
190.12321	0.8
191.10712	1.0
192.10257	0.8
195.11700	1.2
198.06844	0.9
199.07483	1.3
201.10329	1.0
202.10977	1.3
203.07121	1.3
203.14211	5.2
204.07768	3.9
204.13832	0.9
205.08586	1.6
206.09445	0.9
207.13832	0.7
213.12810	2.6
214.12311	2.9
216.07816	1.5
216.12575	2.1
217.04938	8.2
217.08545	1.1
219.10135	1.3
221.11612	1.2
221.16476	5.4
231.06502	2.1
231.10362	3.8
231.14873	33.0
232.09895	1.1
232.13191	3.4
249.07339	3.6
249.11273	43.3
249.16002	100.0
250.16180	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	249.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35271	0.8
53.03938	1.1
55.01832	1.0
55.05509	7.0
60.84710	0.9
62.47619	0.9
67.05490	1.1
69.07080	2.4
70.06588	11.3
70.78185	1.9
70.78516	1.1
72.08152	77.5
76.77905	0.8
77.03915	8.9
79.05479	2.2
81.07041	2.7
86.09698	12.5
89.10805	4.0
91.05463	7.6
93.07030	1.1
95.04956	2.1
98.06052	5.2
98.09695	3.1
103.12344	4.1
105.03389	23.9
105.07018	3.3
106.06520	2.1
107.04971	5.3
107.08576	1.3
108.08117	0.9
110.02402	1.0
113.07124	1.4
113.70947	1.0
114.09159	2.6
115.08697	1.8
117.07017	1.2
118.20283	1.0
119.04942	16.2
119.08556	2.1
120.58913	1.4
122.06035	1.8
123.04476	4.3
125.05983	1.2
127.08675	6.6
129.07004	1.2
130.07819	1.0
131.08540	1.5
133.02843	100.0
134.03595	2.7
134.06004	28.6
135.04350	1.8
137.05942	1.3
143.08556	2.6
145.02863	2.9
145.10109	2.8
146.03189	4.1
146.05989	1.0
146.37076	0.9
147.04401	78.4
148.04729	2.1
150.05409	4.4
151.04013	1.4
152.07098	1.7
157.10135	1.6
159.07994	1.3
161.02327	2.4
161.05971	1.0
161.09576	1.5
162.05507	6.7
163.03888	2.7
173.09575	1.1
175.07472	1.0
176.10686	2.2
177.05423	4.5
178.04955	7.5
178.05983	4.1
185.13303	4.9
189.09082	1.1
190.05040	1.5
202.12155	1.0
203.14310	3.2
204.10193	96.7
205.10529	1.5
218.11836	1.9
221.12837	44.2
231.13739	12.2
232.09665	30.9
232.13425	2.5
233.10274	1.5
249.12413	58.0
249.15938	21.1
249.19638	10.6
250.10733	1.2
250.13025	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	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.87852	0.5
53.03935	0.7
55.01857	1.2
55.05502	2.7
55.69401	0.5
56.96566	0.4
57.03425	0.7
57.07068	0.9
59.04975	0.9
65.03943	0.8
67.05488	3.4
69.03417	2.8
69.07052	2.6
70.06588	0.5
70.40794	0.5
71.04964	1.1
72.08152	2.6
75.09630	0.4
79.05486	5.9
81.03402	1.3
81.05785	1.1
81.07050	7.7
82.06571	0.6
83.04966	1.0
83.08594	0.8
85.02896	1.4
85.06529	1.1
86.09692	1.1
87.00787	0.6
91.05468	9.5
93.07047	7.0
94.06550	3.1
95.04974	2.2
95.08607	4.2
96.04482	7.4
96.08115	7.1
97.02861	1.6
97.05264	1.0
97.06501	1.5
97.08946	0.6
98.06046	1.3
98.09686	1.6
98.97596	0.6
99.04435	0.9
103.05449	1.6
105.06367	0.9
105.07026	10.3
106.06550	1.5
107.04942	2.0
107.08587	5.7
108.08098	3.2
109.02859	1.5
109.06535	2.5
109.10149	2.7
110.06029	21.6
110.09657	1.9
115.05427	4.3
116.06216	2.1
116.98653	0.8
117.07006	5.2
119.04901	1.3
119.08579	7.1
120.08096	0.7
121.06467	2.5
121.10117	2.9
122.06018	3.8
122.09684	0.7
123.04437	0.7
123.08069	1.0
124.07579	35.7
125.08361	28.6
126.09147	26.8
126.10102	0.6
127.03918	1.1
128.06203	7.1
129.06990	17.1
130.07762	1.5
131.04930	1.4
131.08557	16.9
131.09319	0.3
132.05708	0.9
133.02789	0.5
133.06473	3.1
133.10133	5.9
134.09630	7.3
135.08052	1.8
135.10451	1.2
135.11661	1.3
136.07523	1.1
136.11183	1.1
137.06015	1.2
137.09592	1.1
141.06973	5.8
142.07774	4.3
143.08540	9.4
144.05693	6.0
144.09274	0.5
145.06464	5.9
145.10101	10.7
146.07309	2.8
146.09633	0.6
147.04407	4.3
147.08044	2.3
147.11684	2.7
149.09589	0.9
149.13252	0.7
150.09158	0.7
151.07532	2.0
152.06282	0.6
152.10678	8.1
153.06989	1.6
154.12247	1.1
155.06018	0.8
155.08563	0.9
156.05727	0.8
156.09358	1.5
157.06482	8.0
157.08907	0.9
157.10086	5.0
158.07225	2.2
158.09566	1.1
159.08041	22.8
159.10503	0.8
159.11633	4.0
160.05173	1.0
160.11156	1.2
161.05971	4.6
161.09605	8.5
161.13261	2.0
162.12758	1.4
163.07426	0.5
163.11179	0.5
164.10712	1.2
165.06833	0.6
167.07100	1.1
169.06494	0.9
169.07669	1.5
170.07237	6.1
170.10905	0.9
171.04495	1.0
171.08047	6.1
171.11650	2.4
172.05180	2.6
173.05963	3.9
173.09581	4.1
173.11996	1.5
173.13330	0.6
174.06760	2.0
174.09131	1.6
174.11481	0.6
175.07518	5.7
175.11156	2.2
175.14828	1.9
176.10710	1.1
177.05518	0.6
180.09361	0.8
185.05927	0.6
185.09671	0.8
185.13223	12.8
185.14825	0.8
186.12708	3.9
187.07526	12.7
187.11217	0.9
187.14859	0.7
188.08241	0.6
188.12823	0.7
188.14348	9.5
189.05472	2.8
189.09067	8.3
189.12671	2.5
189.16362	1.1
190.06255	1.3
190.12300	0.8
191.07036	1.3
191.10690	1.7
193.08621	0.6
195.11661	1.7
198.06773	1.6
199.07590	2.6
201.05417	0.8
201.10306	0.6
202.10966	1.9
203.07060	4.2
203.10692	1.7
203.14214	6.3
204.07816	9.9
204.09868	0.8
204.13928	1.5
205.08636	1.8
206.09248	0.7
207.10063	0.7
207.13799	0.6
213.12668	4.6
214.12296	3.0
216.07861	2.8
216.12537	2.2
217.08647	1.3
218.09372	1.1
219.10121	1.9
221.08054	0.7
221.11731	2.0
221.16461	5.1
231.06602	0.6
231.10310	6.2
231.14870	34.5
232.09628	0.8
232.13272	4.3
234.08830	0.6
249.09062	2.8
249.11238	85.5
249.15999	100.0
250.11620	1.0
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
55.01859	0.6
55.05488	2.0
57.07051	0.6
59.04972	0.9
67.05487	1.7
69.03407	1.5
69.07053	1.5
69.44247	0.9
69.44652	4.4
69.52576	0.5
72.08157	7.9
77.61729	0.4
79.05496	3.1
81.03384	0.9
81.07050	5.0
83.04934	0.8
84.08105	0.9
85.02878	1.3
85.06538	0.7
85.50336	0.4
86.09715	3.5
86.60695	0.5
87.41739	0.5
91.04961	0.8
91.05480	10.8
93.07027	3.9
95.04948	1.4
95.08598	2.4
96.71609	0.5
97.02887	1.0
97.06537	0.5
98.06033	0.9
98.09652	0.7
98.21519	1.0
99.04465	0.5
100.11250	0.5
103.05450	1.3
105.07015	7.5
107.04932	2.2
107.08585	4.0
109.02859	1.2
109.06496	1.4
109.10128	1.3
110.02376	0.6
115.05414	4.8
116.06256	2.5
117.07025	4.6
117.13854	0.5
119.04973	3.5
119.08591	4.4
121.06475	1.4
121.10126	1.9
123.04404	0.6
128.06213	7.3
129.06999	18.3
130.07726	1.6
131.04898	1.4
131.08557	18.1
132.05672	1.0
133.02863	0.7
133.06500	3.4
133.10077	3.4
135.08043	1.0
135.11633	1.2
137.06000	1.0
139.05359	0.6
141.06972	8.6
142.07727	4.1
143.04904	0.8
143.08559	7.2
144.05675	8.4
145.06491	6.1
145.10117	6.5
146.07298	2.9
147.04408	8.5
147.08026	2.3
147.11600	0.9
148.04736	0.6
149.06001	0.6
149.09561	0.5
151.07552	0.8
152.06149	0.6
153.06967	1.9
155.06001	1.2
155.08543	0.9
156.05666	1.2
156.09367	0.7
157.06493	7.7
157.10098	2.8
158.07190	1.6
159.08049	26.4
159.11646	2.4
160.05093	0.9
161.05930	3.6
161.09616	6.9
161.13264	0.9
165.06879	0.7
167.07076	0.8
169.06409	1.7
169.07616	2.2
170.07265	6.9
170.10873	0.7
171.04413	1.1
171.08011	6.1
171.11703	1.0
172.05182	2.1
173.06023	3.4
173.09625	2.5
174.06705	1.9
175.07552	4.7
175.11217	0.7
176.71141	0.6
177.05362	0.6
178.04938	3.8
180.09303	0.7
185.05978	1.4
185.13254	7.2
186.06790	0.7
187.07541	14.8
187.11057	0.6
188.08246	1.0
189.03851	0.5
189.05434	2.5
189.09103	7.6
189.12720	1.5
190.06261	1.1
191.07013	0.9
191.10637	1.5
193.08611	0.6
195.11685	1.2
198.06770	1.9
199.07510	2.2
201.05405	2.2
203.07002	4.9
203.10646	1.3
203.14308	3.7
204.07822	10.1
204.09944	0.9
205.08589	2.0
206.09288	1.1
213.12694	2.8
216.07849	3.6
217.08508	1.3
218.09424	1.1
218.11760	0.7
219.06503	0.5
219.10136	2.6
221.08034	1.0
221.11588	2.8
231.10268	5.6
231.13791	18.8
231.17337	0.9
232.09769	3.5
249.11201	100.0
249.15181	5.4
249.19618	1.8
250.11417	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	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03933	0.5
55.01833	0.9
55.05489	1.8
57.03419	0.6
57.07061	0.5
59.04984	1.0
67.05485	2.0
69.03417	1.7
69.07077	1.1
71.04974	0.9
71.62685	0.5
72.08150	7.9
79.05476	1.8
81.03392	1.0
81.07059	3.6
83.08634	0.7
84.08108	0.4
85.02879	0.9
85.06558	0.6
86.09698	4.2
91.05476	7.8
93.07050	3.3
95.04959	1.1
95.08614	2.3
97.02866	1.3
97.06512	1.1
97.86359	0.5
98.06031	0.6
98.07858	0.4
98.09676	0.7
99.04431	0.5
100.11259	0.7
103.05457	1.4
105.03331	0.5
105.07022	7.1
107.04913	2.7
107.08574	2.4
109.02816	0.6
109.06510	0.9
109.10150	0.8
114.09213	0.5
115.05418	4.3
116.06208	1.8
117.06998	4.6
118.70402	0.4
119.04925	2.0
119.08561	4.0
121.06504	1.1
121.10130	2.3
123.08031	0.7
123.11674	0.4
127.03888	0.4
128.06215	8.5
129.06998	18.3
130.07748	1.8
131.04906	2.0
131.08559	17.1
131.84586	0.4
132.05707	1.1
133.02789	1.1
133.06505	2.7
133.10097	3.3
135.11694	0.8
137.02298	0.5
141.06979	7.8
142.07758	3.8
142.43254	0.4
143.04881	0.5
143.08563	6.2
144.05699	6.8
145.06480	5.9
145.10109	5.8
146.07236	2.6
147.04393	11.0
147.08015	1.8
147.11667	1.4
149.05951	1.0
151.07573	0.6
152.06168	0.7
153.06963	1.5
155.06004	1.5
155.08499	0.9
156.05688	1.4
156.09306	0.9
157.06490	8.9
157.10092	2.5
158.07237	1.9
159.04382	0.7
159.08046	25.8
159.11681	1.9
160.05191	1.0
161.05991	4.2
161.09618	7.8
161.13232	1.1
165.06940	0.7
165.68597	0.4
167.07031	1.1
169.06416	1.5
169.07613	2.0
170.07254	6.6
171.04312	0.7
171.08022	6.8
171.11638	1.5
172.05142	3.2
173.05956	3.6
173.09586	2.1
173.13251	0.6
174.06758	1.9
175.07536	4.7
175.11157	0.5
176.04669	0.5
178.04953	4.1
178.06297	0.6
178.07584	0.5
183.11398	0.6
184.05130	0.7
185.05951	1.1
185.13242	6.0
186.06627	1.0
187.04056	0.5
187.07532	15.0
187.14703	0.5
188.08246	0.6
189.05460	2.8
189.09091	7.7
189.12672	1.0
190.06306	0.8
191.06958	1.6
191.10680	0.9
193.08537	0.6
195.11644	1.2
198.06702	1.6
199.07570	3.2
201.05396	1.8
203.07014	5.7
203.08768	0.8
203.10612	0.9
203.14276	3.3
204.07831	11.4
204.09869	0.9
205.08606	1.5
206.07216	0.8
206.09323	0.6
213.12726	2.4
215.07108	0.5
216.07782	3.0
217.08598	1.5
218.09409	1.0
218.11525	0.7
219.06433	0.5
219.10039	1.3
221.08070	0.7
221.11578	2.4
231.10236	6.6
231.13768	17.2
232.09668	3.0
234.06709	1.3
234.08865	0.6
249.11195	100.0
249.15320	3.7
249.19780	2.7
250.11497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05487	2.3
55.49120	0.5
56.96533	0.6
57.03437	0.6
57.07061	0.5
59.04995	0.5
59.48470	0.4
64.74046	0.5
67.05478	1.1
69.03425	2.5
69.07059	1.9
70.06566	1.3
71.04974	0.6
71.62988	0.7
72.08153	12.7
79.05483	2.7
81.03371	0.8
81.07044	4.3
83.05000	0.6
84.08151	2.5
85.02865	1.4
85.06503	1.0
85.08460	1.0
86.09697	5.8
87.09967	0.6
91.05477	10.1
92.05946	0.7
93.07050	3.4
95.04935	1.0
95.08612	2.8
97.02872	1.4
97.06521	1.2
98.06036	1.2
98.09679	1.7
98.97578	1.1
100.11235	1.1
103.05433	1.1
103.12313	0.6
105.03405	0.8
105.07027	9.2
107.04943	2.4
107.08588	2.9
109.02850	1.1
109.06499	1.2
109.10157	1.0
110.02383	0.9
114.09130	0.5
115.03867	0.6
115.05446	4.5
116.06213	2.1
116.98623	0.7
117.07005	4.4
119.04935	4.7
119.08574	4.7
120.05251	1.1
121.02864	0.7
121.06480	1.4
121.10140	2.3
122.97181	0.4
123.08084	0.7
127.03851	0.5
128.06213	8.3
129.07002	19.0
130.07755	1.8
131.04865	1.7
131.08565	17.6
131.12883	0.7
132.05695	1.2
133.02840	0.9
133.06471	2.9
133.10135	3.9
134.09636	0.6
134.60464	0.9
135.08070	1.0
137.05933	1.1
141.06973	7.3
142.07774	4.4
143.04829	1.2
143.08545	7.1
144.05692	7.9
145.06470	5.9
145.10124	6.9
146.03638	0.8
146.07239	2.4
147.04407	20.3
147.08020	2.0
147.11632	1.2
148.04736	8.8
149.05988	0.6
149.09566	0.7
149.13211	0.7
151.07526	0.9
152.06114	0.9
153.06963	2.2
155.06058	1.0
155.08566	1.0
156.05644	1.5
156.09343	1.2
157.06485	8.7
157.10112	4.1
158.07211	2.8
159.04425	0.6
159.08049	23.5
159.11615	2.3
160.05128	0.9
161.06007	3.2
161.09621	7.6
161.13234	1.0
162.04373	0.6
165.09065	0.6
167.06981	0.9
169.06335	0.7
169.07585	2.1
170.07260	6.6
171.04788	1.7
171.08041	6.3
171.11684	1.7
172.05180	3.1
173.05971	4.0
173.09543	2.5
174.06714	1.7
175.07533	5.3
175.11182	1.2
175.14798	1.1
177.05412	0.8
178.04962	5.0
178.06297	0.6
183.11281	0.6
185.09599	1.0
185.13249	7.4
185.56802	0.5
187.07542	15.3
187.14813	0.5
188.08136	1.2
189.05496	2.7
189.09073	8.3
189.12724	2.6
190.06276	0.8
191.07045	0.7
192.07779	0.6
193.08521	0.6
195.11641	1.4
198.06734	1.2
199.07593	2.3
201.05418	1.7
203.07033	4.6
203.10648	0.9
203.14316	4.8
204.07825	10.7
204.09850	0.8
205.08540	1.6
206.09224	0.6
213.12704	3.9
216.07791	3.3
217.08490	0.8
218.09427	1.3
218.11670	0.9
219.10088	1.3
221.11742	2.1
231.10139	4.9
231.13780	21.0
232.09627	3.6
234.08827	1.1
249.11180	100.0
249.15376	4.4
249.19849	3.7
249.66331	0.6
250.11510	0.8
257.87457	0.5
261.60126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25588	0.4
56.96552	0.8
58.99860	0.5
67.24921	0.4
69.18973	0.4
70.95755	0.8
70.96100	0.6
73.02917	0.6
77.00886	0.8
82.99859	1.4
94.94853	0.4
98.97578	1.0
101.00870	19.0
103.02435	1.9
105.00352	0.7
113.00893	0.7
115.02408	0.6
116.98613	0.7
119.01911	100.0
120.02005	1.2
121.02328	0.7
121.03494	0.8
127.02400	1.2
129.00291	0.4
131.01898	7.7
133.03395	0.7
137.02945	29.2
142.03488	2.8
143.01892	12.5
145.03456	11.0
147.01370	1.3
149.02953	1.8
157.03438	2.3
159.01369	7.4
160.04610	0.5
161.02945	51.8
163.04486	2.6
165.08926	0.4
171.01369	3.1
173.02917	4.5
175.04504	1.5
177.02434	20.8
179.03958	2.4
184.04575	1.3
189.02429	31.3
191.03992	4.5
200.04169	0.7
201.02472	5.6
203.03947	0.7
207.03485	14.9
212.04074	0.9
219.03529	6.4
225.04556	0.6
230.04970	1.0
231.03391	2.1
249.04561	19.9
258.95749	0.4
267.05579	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	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03944	0.7
55.01854	0.9
55.05487	1.8
57.03413	0.5
57.07065	0.5
59.04986	1.1
63.45321	0.4
67.05494	2.7
68.68948	0.4
69.03444	2.0
69.07056	1.9
69.67149	0.8
69.67564	2.1
69.95055	0.4
70.06580	0.4
71.04984	0.7
72.08152	2.9
77.46835	0.4
79.05488	3.1
81.03404	1.2
81.07052	6.2
83.04977	0.8
85.02888	0.8
85.06528	1.3
86.09688	1.2
87.95856	0.4
90.48755	0.4
91.05466	8.6
93.07034	5.0
95.04957	2.2
95.08604	4.0
97.02874	1.7
97.06525	0.9
98.09682	3.3
103.05452	1.9
105.07019	9.6
107.04942	2.6
107.08577	5.1
109.02872	1.0
109.06497	1.8
109.10152	1.7
111.04430	0.4
111.08054	0.6
114.09138	1.1
115.05435	4.8
115.55723	0.4
116.06250	3.0
116.98624	0.6
117.07004	5.3
119.04930	1.5
119.07772	0.6
119.08563	6.9
121.02955	0.4
121.06490	1.9
121.10131	2.8
123.04401	1.2
123.08064	1.0
125.05962	0.5
125.09524	0.5
127.03905	0.8
128.05258	0.6
128.06204	9.1
129.06992	18.3
130.07780	2.0
131.04918	2.0
131.08556	16.9
132.05676	1.3
133.02824	0.6
133.06471	3.4
133.10130	4.7
135.08006	1.2
135.08958	0.5
135.11679	1.6
137.05971	1.1
137.09624	0.6
139.07532	0.4
141.05966	0.6
141.06981	7.9
142.07761	3.2
143.08537	8.3
144.05685	7.3
144.09340	0.5
145.06451	5.8
145.10106	8.9
146.07277	2.5
147.04384	4.2
147.08049	2.9
147.11674	2.0
149.05891	0.5
149.09639	0.8
149.13223	0.6
151.07503	1.5
152.06158	1.0
153.05467	0.4
153.06987	1.6
154.62738	0.4
155.05998	0.9
155.08495	0.9
156.05672	1.5
156.09262	1.1
157.06477	8.8
157.10092	4.2
158.07233	2.4
159.04430	0.7
159.08040	24.4
159.11664	2.9
160.05190	1.0
160.08690	0.4
161.05988	4.0
161.09604	7.4
161.13228	1.8
163.07477	0.7
165.06990	0.8
167.07028	1.1
167.08566	0.5
169.06363	0.9
169.07593	1.2
170.07233	6.6
170.10938	1.1
171.04407	1.0
171.08020	7.2
171.11661	1.9
172.05186	2.3
173.05951	3.5
173.09599	4.1
173.28403	0.4
174.06699	2.0
175.07501	5.4
175.11183	1.5
175.14836	0.7
177.05399	0.5
177.09064	0.5
178.04948	1.3
178.06285	0.9
180.09430	0.4
184.05078	0.5
185.05966	0.8
185.09618	0.8
185.13246	10.2
186.06657	0.7
187.07520	14.9
187.11166	0.6
187.14809	0.6
188.08228	1.1
189.05484	3.5
189.09099	8.9
189.12743	2.5
189.16313	0.8
190.06212	1.1
191.07014	1.6
191.10701	1.1
193.08597	1.3
195.11690	2.0
198.06732	1.3
199.07549	2.8
201.05489	1.4
203.07053	4.6
203.10657	1.4
203.14273	5.7
204.07816	9.6
205.08580	1.4
206.09378	0.8
207.13820	0.5
213.12741	3.7
213.16246	0.6
216.07805	2.9
217.04980	0.6
217.08600	1.2
218.09290	1.4
219.10101	1.8
221.08081	1.2
221.11626	2.6
231.10254	6.0
231.13760	26.1
231.17375	0.8
232.09746	0.9
249.11194	100.0
249.14607	4.9
249.18742	2.9
250.11514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.49908	0.9
52.34674	0.9
53.03940	5.2
54.81158	1.0
55.05503	16.1
57.03429	1.7
57.07058	3.8
58.91249	1.0
65.03925	2.3
67.05499	43.8
69.07063	16.6
70.27303	4.8
71.04979	1.7
79.05485	73.4
81.07050	32.8
83.04940	1.9
83.08595	5.2
85.06518	1.2
91.04891	1.3
91.05472	39.7
93.07037	100.0
95.04942	9.8
95.08602	27.9
97.06476	1.9
97.10140	1.3
99.36068	1.2
105.07026	22.5
107.08585	42.7
109.06470	1.5
109.10149	16.0
111.08047	2.3
117.07022	12.4
119.08572	18.2
121.10135	39.6
123.11658	2.4
129.07106	1.1
131.08557	18.1
133.10120	19.6
135.11681	58.1
145.10117	13.0
147.11702	13.6
149.13252	17.4
159.11668	9.4
160.32663	1.1
161.13255	6.1
163.14784	2.7
173.13271	11.4
187.14790	5.2
201.16371	1.4
205.15833	1.3
229.19499	12.8
247.20551	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37097	9.4
54.44545	11.1
71.62428	19.4
97.75240	10.4
105.07043	15.4
141.49800	12.5
146.08095	16.6
195.10268	11.1
231.13675	21.2
249.03706	100.0
249.14529	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2056
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03936	2.6
53.07043	1.5
55.05504	15.8
57.03411	3.6
57.07062	3.3
65.03905	1.8
67.05502	36.2
69.07066	11.9
69.39025	14.0
71.04978	3.9
73.11424	1.3
79.05486	52.9
81.06577	2.0
81.07050	38.5
83.08598	5.9
85.06522	3.7
91.05472	30.9
93.07038	78.8
95.04427	1.4
95.04943	7.0
95.08600	34.2
97.02877	1.7
97.06527	2.1
97.10114	2.8
98.21467	2.2
98.98444	2.4
99.08054	1.8
105.04429	1.3
105.07024	26.2
107.08588	45.9
107.52827	1.2
109.06523	4.9
109.10147	14.3
117.07020	11.5
119.08581	21.3
121.10134	50.9
123.08092	1.8
123.11683	4.1
131.08553	20.3
133.10109	19.2
135.11679	48.0
137.09599	2.4
137.13223	2.3
139.11115	2.2
143.08548	2.2
145.10117	20.5
147.11679	22.2
149.13242	20.1
151.11121	1.5
155.08617	1.3
157.10129	2.0
159.08035	1.9
159.11685	18.3
161.13237	10.1
163.14793	5.5
173.13243	16.3
175.14793	5.9
183.11726	2.0
187.11119	1.6
187.14769	6.7
189.09160	2.2
201.12555	1.5
201.16360	6.8
201.98079	1.4
229.12257	3.1
229.19501	31.7
247.05951	2.7
247.13292	5.9
247.16817	5.7
247.20566	100.0
248.20963	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17196	1.2
50.28574	1.3
51.27662	1.3
53.03928	3.5
53.20166	1.4
55.05507	17.8
57.03443	2.1
57.07060	3.1
65.03913	1.6
67.05500	41.9
69.06773	1.2
69.07066	14.6
69.98070	3.7
69.98486	3.9
70.27592	1.4
71.04993	2.0
73.90363	1.3
77.81871	1.3
79.05488	68.7
81.07047	38.3
83.04964	1.9
83.08597	3.9
83.23098	1.4
85.06495	1.4
88.40372	1.4
91.05471	36.4
93.07037	100.0
95.04959	8.0
95.08041	2.3
95.08601	30.2
97.06516	1.6
97.10168	2.2
99.78255	1.3
104.99260	2.5
105.07021	30.2
107.04971	1.7
107.08586	48.7
109.06493	2.7
109.10149	14.8
109.80772	1.2
117.07005	11.3
119.08578	17.9
121.10134	47.9
123.11688	4.4
129.06995	2.8
131.08571	18.0
133.10139	18.0
135.11682	50.8
137.13211	1.5
143.08545	2.5
145.10100	19.8
147.11673	16.7
149.09587	2.5
149.13258	15.8
151.11237	1.7
157.10062	1.8
159.07945	2.4
159.11667	13.3
161.09618	1.8
161.13200	6.5
163.14786	3.7
166.57838	1.4
173.13249	15.1
183.11731	2.7
185.13246	1.4
187.11192	3.1
187.14774	5.5
189.09064	3.5
191.14436	2.0
201.12666	2.2
201.16347	4.3
205.12204	2.8
205.15881	1.7
229.12233	4.3
229.15895	2.3
229.19492	12.2
247.06067	2.3
247.09535	2.9
247.13391	4.7
247.16928	11.6
247.20551	70.3
248.07089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.02374	0.8
53.03938	4.0
55.01852	1.3
55.05494	4.0
57.07037	1.1
60.04491	2.0
65.03926	4.7
66.71185	0.8
67.05499	4.4
68.99763	1.3
69.03084	1.3
69.03422	17.6
69.07035	2.7
69.93404	2.2
69.93823	2.8
71.04959	1.0
79.05487	6.7
81.07056	7.8
83.04973	16.7
85.02891	1.4
87.04419	1.4
90.26377	0.8
91.05474	19.6
93.03377	3.6
93.07033	14.7
95.04962	6.3
95.08551	2.5
97.02885	7.2
97.06510	1.8
97.72417	0.7
98.20834	1.7
98.97558	1.7
99.04379	1.0
102.05527	14.7
103.05415	1.3
105.06390	0.9
105.07024	14.3
107.04903	2.4
107.08591	14.3
109.02871	22.0
109.06511	12.2
109.10092	3.5
111.04420	5.0
111.08052	1.3
115.05395	2.2
116.06262	1.1
117.07019	8.4
119.04932	0.9
119.07796	1.2
119.08569	19.5
121.02802	3.4
121.06499	17.3
121.10153	7.2
123.08013	2.9
125.05953	1.3
128.06148	3.5
129.06976	6.3
130.07729	1.8
131.04861	0.9
131.08559	19.7
132.05659	2.0
133.06392	1.7
133.10110	11.3
135.04314	1.4
135.08041	28.3
137.05994	6.2
137.09547	3.8
137.52580	0.8
139.03835	2.3
141.06927	2.8
142.07698	2.8
143.08548	10.8
144.05623	1.5
144.09311	9.1
145.05573	0.8
145.06470	9.1
145.10129	13.5
146.05954	1.1
147.04350	0.9
147.07956	3.6
147.11569	1.3
149.05844	1.6
149.09610	19.3
150.10318	3.1
151.07402	1.0
151.11073	3.6
153.06944	2.7
153.09033	1.5
154.07745	1.3
155.08556	5.0
156.09238	1.2
157.06438	1.7
157.10104	3.9
158.07224	2.2
158.09726	0.9
158.10902	13.4
159.08044	12.9
159.11674	27.4
160.08704	3.5
161.09612	5.3
161.13141	1.0
163.06299	1.3
163.07523	19.1
163.11073	3.1
165.09007	2.3
168.09329	4.2
169.10027	2.8
170.10837	4.3
171.08029	6.5
171.11653	1.5
172.08842	13.1
173.06035	1.6
173.09618	25.7
173.13242	41.5
175.07404	1.8
175.14833	1.0
178.07635	0.9
181.06468	1.4
181.07916	1.0
183.11705	8.1
185.09525	1.4
185.13148	3.5
186.08754	1.0
186.10387	19.6
187.07472	2.7
187.11165	100.0
188.11589	1.0
189.09094	4.3
191.05441	1.6
191.07018	25.8
193.09993	1.8
196.08748	5.3
199.07565	1.7
201.12726	66.0
203.14236	1.7
205.08525	1.1
205.12201	9.4
211.09587	0.8
211.11163	10.3
214.09764	2.9
219.13727	5.9
224.94209	0.8
229.12216	68.7
230.12537	1.7
247.09645	3.5
247.13182	64.2
248.13388	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1327
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03923	5.3
54.38852	1.6
55.01859	3.0
55.03516	1.5
55.05487	6.3
57.07049	2.8
65.03909	4.9
67.05500	9.7
68.99773	1.8
69.03432	18.8
69.07037	4.5
70.09755	5.7
71.04974	3.5
72.08140	2.1
76.15846	1.5
79.05489	9.5
81.07053	19.2
83.04974	17.8
84.08131	1.9
85.02870	1.9
85.06516	3.5
91.05476	20.0
93.03366	4.9
93.07048	21.2
95.04962	9.8
95.08620	14.1
97.02885	11.4
97.06554	2.2
102.38796	1.6
103.05459	3.0
105.07025	21.5
107.04909	3.0
107.08585	19.7
109.02864	17.5
109.06521	15.8
109.10133	9.9
109.70214	1.7
111.04401	6.0
115.05455	3.8
116.06221	1.9
117.07030	14.3
119.04883	2.0
119.08578	27.0
121.02813	6.6
121.06509	18.4
121.10149	14.4
123.08025	4.0
123.11763	1.9
128.06180	6.3
129.06937	7.2
130.07742	3.3
131.04842	3.9
131.08572	29.3
132.05670	2.2
133.06453	3.0
133.10121	16.2
135.08049	23.9
135.11697	4.0
137.05937	7.3
137.09593	4.7
139.03903	2.4
141.06934	4.5
142.07715	3.7
143.08571	18.5
144.05650	5.6
144.09358	7.8
145.06473	13.2
145.10110	19.0
147.04398	2.4
147.08014	7.8
147.11650	3.4
149.05992	2.3
149.09607	25.4
149.13234	2.5
150.10307	3.8
151.07550	2.2
151.11139	4.7
155.08493	5.5
156.09297	1.9
157.06578	2.4
157.10077	6.3
158.07198	4.4
158.10927	12.0
159.08067	18.6
159.10475	1.7
159.11690	34.5
160.08691	2.3
161.05919	3.6
161.09570	7.0
161.13339	1.9
163.07529	20.7
163.11160	3.8
163.14806	2.9
165.09111	2.7
168.09314	4.5
169.06439	2.6
169.10104	3.6
170.10851	5.3
171.08035	7.9
171.11549	2.2
172.08824	14.0
173.05963	2.2
173.09622	23.2
173.13252	44.8
175.03893	2.6
175.07520	2.8
177.05426	7.1
177.09175	1.7
179.81223	1.7
183.11697	10.6
185.05785	1.8
185.09607	3.3
185.13217	3.6
186.10397	22.5
187.07513	6.6
187.11177	100.0
187.14745	2.9
188.86421	1.9
189.09059	6.9
191.07031	25.3
193.10204	2.6
196.08778	5.3
201.09128	2.5
201.12744	69.5
205.12196	8.9
211.11208	11.4
217.08435	2.9
219.10057	2.8
219.13831	7.5
229.08624	2.7
229.12242	70.2
229.15854	4.8
229.19476	2.4
230.12418	1.9
247.02316	4.9
247.05798	3.8
247.09679	12.5
247.13242	68.7
247.16769	12.9
247.20493	4.5
247.24255	7.5
248.13272	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41356	0.7
52.64397	0.7
55.01860	1.9
55.05505	2.3
56.05031	1.8
56.96558	6.9
57.03425	2.6
58.06590	2.3
60.08162	0.8
61.02926	1.5
64.52129	0.8
68.05011	1.0
69.03415	3.5
70.02973	0.9
70.06597	7.2
71.01350	1.0
71.04983	1.9
71.40228	1.6
72.08144	25.7
73.02918	2.6
79.05497	1.2
80.04998	1.6
81.03388	1.4
81.07061	0.8
82.06565	1.7
84.04496	16.2
84.08128	5.7
85.02891	5.0
86.03657	1.5
86.09686	6.3
87.04481	1.0
88.03969	1.6
88.07638	1.1
95.05013	1.2
96.08111	0.9
97.02865	1.3
98.06071	2.0
98.09711	2.2
98.97581	1.2
98.98473	3.8
100.07598	7.7
101.00882	0.9
101.07959	2.7
102.05544	0.9
104.10726	12.9
105.07043	0.8
108.08098	1.2
109.02905	1.0
110.09665	0.9
111.02768	1.0
112.07580	1.3
116.07104	1.6
116.98579	1.1
117.07024	0.8
117.10290	2.1
118.01125	1.0
118.08646	13.6
118.10618	1.2
119.01930	4.8
120.08118	3.3
121.01660	1.4
122.09687	2.7
124.03960	1.7
126.05489	0.8
127.03953	1.3
128.03445	1.8
128.07111	1.3
128.98590	1.1
129.03818	1.7
129.07074	0.7
130.05029	2.9
130.08669	2.0
131.00200	0.9
131.01889	1.4
131.08519	1.5
134.09714	0.8
134.99644	1.0
136.05219	0.7
138.09183	1.5
142.08641	1.1
143.08514	0.9
144.98077	1.1
145.03464	0.9
145.05016	0.9
146.05962	1.8
146.99640	1.5
148.06021	0.9
150.12793	1.5
156.10249	2.2
157.03415	1.2
157.10152	0.8
157.55850	0.7
161.02992	1.5
161.04744	0.7
162.99173	3.0
164.10667	1.0
167.02049	1.0
172.07599	2.1
173.02234	0.9
174.04005	4.0
174.05351	0.9
174.99281	0.9
175.04384	6.9
181.05136	0.8
182.99680	1.0
183.11517	0.8
184.09648	5.1
186.09117	6.8
187.02704	1.8
188.05988	1.5
188.10767	2.9
190.08630	3.0
197.06697	1.4
198.09186	2.0
199.06345	1.8
200.10748	1.1
201.00728	2.3
201.12502	2.5
205.00189	1.6
206.07062	4.6
215.00404	1.1
215.07603	3.9
216.10159	10.4
217.57784	1.2
218.12032	2.5
223.01323	3.3
223.06990	0.9
229.03168	21.3
229.13557	8.1
230.10306	2.2
245.05170	1.4
246.18225	0.9
247.04338	100.0
247.07959	20.0
247.14473	75.9
247.18156	14.3
247.64621	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	247.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.0
56.46342	0.8
70.06580	3.0
71.60155	1.5
72.08146	14.9
84.04503	5.2
84.08141	6.1
85.02875	1.7
86.09698	7.0
96.08129	1.9
98.06065	2.3
98.09679	1.3
100.07621	5.4
101.00912	0.9
104.10738	12.3
105.76458	0.9
116.07047	1.2
118.08661	2.8
119.01904	2.4
120.08111	1.7
121.01672	1.0
122.09655	3.7
123.10458	1.4
124.03957	4.0
124.07610	1.5
130.05009	1.4
138.09192	1.1
148.06041	2.1
150.12721	1.3
161.04781	1.2
168.18121	0.9
172.07497	1.3
174.05472	1.7
179.24286	0.9
184.04604	1.1
186.09181	3.2
187.02583	1.3
188.10672	6.3
190.08618	6.1
198.09233	1.6
200.10690	1.0
204.10239	1.0
216.10208	15.3
218.11818	1.7
229.01105	1.5
229.03134	7.0
229.13370	3.7
247.02104	2.9
247.04308	31.0
247.07919	11.9
247.14439	100.0
247.18182	10.0
259.98926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85432	6.5
72.08140	1.6
74.28513	0.9
80.74136	1.0
84.75895	1.0
84.94660	1.0
85.02888	1.3
98.98450	2.8
105.43205	1.0
119.01859	1.5
175.04323	1.9
229.03186	25.9
237.95381	1.0
247.04240	100.0
269.41608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1813
Annotation	Valyllysine
Peak:m/z	Relative Intensity
58.06594	22.2
58.23661	0.7
59.07377	2.6
60.08165	5.6
69.90730	4.6
70.06577	1.2
82.06554	3.2
84.08131	9.0
85.05259	2.0
87.71126	0.8
94.93015	0.8
95.72524	0.8
98.09686	2.1
98.20786	0.9
99.35947	0.7
100.07604	76.7
104.10730	1.2
117.10243	40.1
118.08659	7.1
125.91783	0.8
127.08661	1.1
128.07042	1.8
152.07048	0.9
169.09700	1.8
170.08197	1.0
187.10757	1.8
201.16005	0.9
228.17084	2.2
229.15376	1.0
243.94371	0.8
245.95293	1.3
246.18098	100.0
247.18454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1898
Annotation	Falcarinol
Peak:m/z	Relative Intensity
50.60945	1.7
52.52454	1.5
53.03926	2.4
55.05507	10.2
57.03440	8.1
57.07053	2.3
61.97706	1.8
65.03913	2.0
67.05504	19.7
69.07064	10.6
70.95867	3.1
70.96224	3.7
71.04980	4.0
79.05481	21.8
81.06643	2.2
81.07050	27.2
83.08612	2.7
85.06519	4.1
91.05478	47.6
93.07024	16.9
95.04967	2.9
95.08602	16.7
97.06541	2.0
97.10138	2.3
98.43788	1.7
99.04367	2.0
99.08051	2.5
105.07024	55.9
107.08576	13.9
109.10107	4.3
117.07014	20.3
119.08575	32.1
121.10121	6.2
123.04471	2.2
125.09569	2.3
128.06136	2.7
129.07005	10.8
130.07864	1.9
131.08548	40.7
133.10120	30.3
135.08020	2.1
135.11661	4.1
137.13351	1.8
142.03177	2.6
142.07712	2.7
143.08572	12.3
145.10117	32.3
147.11667	25.4
149.13167	1.8
151.11151	2.7
155.68076	2.0
157.10126	13.0
159.11668	26.3
161.13219	9.1
163.11108	3.3
171.11723	13.0
173.13243	70.2
185.13235	10.2
187.14769	2.9
189.16325	2.9
199.14772	5.8
201.16370	2.3
204.07422	1.8
217.19530	2.3
227.15968	2.6
227.17944	27.0
245.04343	2.1
245.11784	5.2
245.18967	100.0
245.26578	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	245.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44519	2.7
55.05505	5.5
67.05483	10.5
69.07054	10.0
69.45908	2.9
71.37141	6.4
71.49760	2.4
79.05490	5.5
79.25486	2.8
81.07053	26.4
83.08601	7.3
91.05463	6.9
93.07056	22.9
95.08607	29.5
97.10155	3.0
99.83290	3.2
105.07020	12.9
107.08580	21.8
109.10165	24.4
119.08531	16.3
121.10145	27.1
122.46806	3.1
123.11667	20.1
133.10118	12.4
135.11665	12.2
137.13261	7.3
147.11694	6.0
149.12164	3.0
149.13245	73.8
161.13254	10.9
163.14787	7.4
175.14839	24.1
189.16406	14.6
192.38235	3.4
203.17963	4.1
245.22623	100.0
246.22995	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	246.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58531	1.2
55.01865	2.7
55.05490	5.0
56.96548	3.5
57.03422	1.4
59.06117	2.3
65.03931	1.3
68.05013	4.8
69.03399	1.4
69.06384	1.1
69.07037	1.5
70.02944	1.3
70.06586	21.8
71.62232	2.2
72.08147	13.7
73.02908	2.8
74.02430	3.7
74.31145	1.2
82.06577	1.7
83.04987	1.3
84.04512	2.7
84.08128	7.7
86.09699	4.6
89.70827	1.3
91.05454	2.3
96.04489	1.5
96.08104	2.3
97.02895	1.7
98.09679	7.3
99.10027	2.7
102.05532	2.4
106.06516	1.7
107.04950	3.8
107.82439	1.6
110.09702	1.6
114.05518	4.9
114.38378	1.3
115.05473	1.5
117.05764	10.3
117.07013	3.2
118.06525	15.0
124.07570	1.3
128.03438	4.3
129.06972	2.9
130.06506	55.0
130.07477	2.8
131.07271	1.7
132.08072	24.3
132.08986	1.8
133.07614	14.3
134.03606	1.4
134.06004	2.2
136.05070	2.1
142.06476	6.0
143.07277	15.3
144.08070	26.6
145.02780	1.8
145.06525	1.5
145.07587	41.6
146.05998	20.2
146.09605	1.2
147.04395	7.7
154.06477	3.3
155.07315	2.0
156.06815	8.0
156.08090	26.4
156.09279	2.3
157.07594	46.2
157.08841	2.6
158.06012	11.7
158.08272	4.7
158.09641	3.0
159.09163	66.6
160.07613	2.6
163.03917	2.2
165.08966	1.3
167.07266	3.9
168.06885	2.0
168.08073	10.7
169.07611	6.0
170.06047	7.7
170.08398	5.9
170.11772	2.5
171.09132	12.7
172.07584	2.2
172.09918	23.5
173.07039	1.8
173.09459	2.0
173.10764	18.0
174.03947	7.5
177.05591	1.4
178.04958	1.4
182.05600	7.4
182.08354	1.8
183.09177	46.3
184.07544	1.5
184.09932	5.2
185.07138	3.9
185.10736	53.6
186.07500	2.0
187.08678	18.5
188.07034	14.7
200.07133	5.2
200.11839	19.6
201.10170	15.6
202.08618	3.3
202.13405	3.6
203.08118	22.9
204.06595	10.6
204.08638	2.6
205.09666	2.2
211.08739	4.1
218.08308	2.1
228.12512	1.5
229.09740	82.3
236.66422	1.6
246.07579	12.3
246.12396	100.0
246.16530	22.9
246.20596	3.7
246.24382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.42962	0.2
50.95883	0.2
51.30999	0.2
52.33354	0.3
55.05497	1.2
56.96557	0.8
63.80741	0.3
67.05470	0.4
69.03407	0.7
69.07059	0.9
70.06583	0.8
71.04991	0.7
71.61182	0.3
71.61552	0.4
72.08151	2.0
73.02914	0.3
79.05487	0.8
80.05023	0.6
81.03418	0.5
81.07046	0.9
83.04977	0.6
84.04513	0.5
84.08138	0.9
85.02894	0.9
85.06542	0.3
86.09700	100.0
87.04469	0.6
87.54247	0.3
91.05473	0.7
93.07055	0.8
94.06554	0.3
95.04976	0.3
95.08613	0.5
97.02876	0.6
97.06523	0.2
98.06063	0.3
98.09683	0.5
98.97572	0.7
99.04454	0.2
105.07027	0.7
107.04945	0.4
107.08588	0.7
109.06516	0.4
114.03769	0.4
114.82547	0.2
116.98629	0.7
117.07001	0.4
119.04977	0.3
119.08579	0.5
121.06487	0.3
121.10155	0.5
123.04423	0.5
123.08053	0.4
124.07616	0.3
125.09605	0.3
127.03968	0.3
128.06232	0.3
129.06982	0.3
131.08577	0.5
132.10194	3.0
133.10129	0.4
134.99669	0.4
135.11653	0.3
136.11186	0.3
142.03227	2.6
143.01831	0.3
143.08511	0.3
145.06470	0.4
145.10023	0.3
146.99672	0.4
157.06551	0.3
157.10092	0.5
158.99704	0.4
159.08020	0.5
159.11607	0.3
161.06052	0.3
161.13260	0.4
167.34721	0.3
170.02658	0.6
171.08005	0.3
171.11617	0.4
172.07619	0.4
173.13016	0.3
175.03864	0.3
177.00713	0.3
181.10022	0.2
185.09592	0.3
187.07497	0.5
199.11150	0.5
199.18074	1.6
200.10788	0.7
201.05379	0.3
209.15292	0.3
227.06903	0.3
227.10603	0.5
245.04550	0.7
245.08113	1.7
245.13197	3.3
245.16428	2.6
245.18706	7.6
245.22351	0.3
246.07730	0.5
246.11278	0.7
246.13440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.19676	0.2
53.03957	0.2
55.01868	0.4
55.05497	1.0
56.04999	0.3
56.96556	1.2
57.03446	0.5
57.07040	0.3
58.06569	0.2
63.62305	0.3
67.05492	0.7
68.99783	0.6
69.03414	0.6
69.07063	10.0
70.06591	0.6
71.62847	0.3
72.08155	1.8
74.06110	0.2
79.05506	0.7
80.05003	0.5
81.03414	0.5
81.07056	0.9
83.04972	1.0
83.08629	0.3
84.04507	0.5
84.08134	1.0
85.02908	0.6
86.09700	100.0
86.26086	0.3
87.04486	0.4
87.10036	0.6
91.05467	1.3
93.07040	1.0
95.04974	0.7
95.08606	1.0
96.04488	0.4
96.08094	0.3
97.02879	0.4
97.06525	0.8
98.06018	0.2
98.97548	1.4
102.73569	0.2
103.83100	0.2
105.07033	1.0
107.04961	0.8
107.08603	1.1
109.06525	0.3
109.10165	0.4
110.06046	0.3
111.04405	0.2
115.03876	0.3
116.98631	1.4
119.04947	0.4
119.08588	0.6
120.08064	0.3
121.10099	0.7
122.06055	0.2
123.04420	3.6
124.07660	0.3
126.05553	0.3
127.03927	0.9
128.06201	0.3
129.07047	0.3
129.10219	0.3
132.10191	2.0
133.06490	1.4
134.99670	2.7
135.04469	0.4
135.11674	0.4
139.03917	0.4
141.02196	0.3
142.03217	1.5
143.08545	0.4
145.02937	0.3
146.06035	0.4
147.04419	0.3
148.07634	0.4
151.03891	5.1
151.11128	0.3
153.00729	0.6
153.06998	0.2
157.06430	0.3
157.10147	0.3
159.03316	1.0
160.07718	0.3
161.06023	1.1
161.13200	0.3
162.09036	0.3
171.03294	0.8
174.04001	0.4
177.00694	0.4
179.14308	2.1
183.09229	0.3
185.05910	0.3
185.13237	0.3
189.04332	2.3
197.15363	1.6
199.07515	0.6
199.18102	1.0
200.10738	0.6
202.12325	0.3
209.15457	0.7
224.09447	0.5
227.07074	0.7
227.16292	0.3
228.12494	0.5
231.05411	0.6
236.13771	0.5
245.04536	0.6
245.08253	3.7
245.12907	6.4
245.16437	2.5
245.18686	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	245.1648
Annotation	Verruculotoxin
Peak:m/z	Relative Intensity
51.57450	0.4
55.01862	0.5
55.05510	6.2
56.96566	0.8
58.06588	0.7
67.05508	0.6
69.03422	0.6
69.07047	1.1
69.09583	0.4
70.06588	8.4
70.21935	0.8
70.22343	1.4
71.04955	0.7
72.08157	3.4
77.68231	0.4
79.05490	0.6
81.07042	0.9
81.55859	0.4
82.06580	4.4
83.04967	0.6
83.07397	0.4
84.04536	0.5
84.08144	1.4
85.02884	0.9
86.09695	1.0
87.04449	0.4
90.20103	0.4
90.94798	0.5
91.05474	0.7
93.07037	1.5
94.06533	0.4
96.08119	3.1
97.02877	0.6
98.06053	0.5
98.09686	74.0
98.97571	1.8
99.10012	0.5
100.97221	0.4
102.96899	0.8
105.07030	1.3
107.04897	0.6
107.08581	1.1
108.08046	0.5
109.05239	0.7
109.06478	0.5
116.98624	2.0
117.06989	1.0
119.04932	0.7
120.97958	0.6
121.02924	0.5
121.10145	0.8
124.07601	0.4
124.11238	0.9
126.05476	0.6
132.04443	0.5
133.05124	0.5
133.10178	2.0
134.06026	1.2
134.10478	0.7
134.99643	0.9
135.99907	0.5
136.11209	4.7
140.06941	0.4
143.08514	0.5
146.05991	1.3
147.04405	1.6
147.06818	0.8
147.07945	0.5
148.07558	3.3
151.03902	0.4
154.82687	0.4
158.99619	0.6
160.07587	2.2
162.09116	1.5
173.13194	0.7
174.03973	0.8
174.09061	0.4
177.00714	1.3
178.00974	0.5
181.00018	0.8
191.11789	0.8
200.10724	0.5
202.12251	6.7
203.11809	8.2
206.07985	0.6
214.12306	2.2
215.08852	0.5
236.13824	0.8
245.16481	100.0
246.16785	1.4
252.61517	0.5
259.38763	0.4
262.32516	0.5
269.26364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1283
Annotation	Cyclo(phenylalanyl-prolyl)
Peak:m/z	Relative Intensity
55.05505	0.2
58.64787	0.1
61.03401	0.1
67.05510	0.2
69.03408	0.3
70.06583	0.5
70.78191	0.4
70.78536	0.2
72.08137	0.3
80.05002	0.5
81.07049	0.2
86.09694	0.2
91.05466	0.3
93.07034	1.2
94.06572	0.3
105.07019	0.2
107.08546	0.3
108.08111	0.7
109.05242	0.5
110.06037	2.3
110.09685	0.3
115.03909	0.2
117.05734	0.2
118.06537	0.4
120.08118	0.1
122.06041	0.5
126.05511	1.0
132.04424	0.4
133.05219	0.2
134.06030	0.3
136.03963	0.5
146.05984	2.0
147.06825	0.3
148.07558	0.5
158.06010	1.2
159.06831	0.2
160.07574	0.9
167.07268	0.3
171.11618	0.2
172.11154	0.2
174.09140	2.8
175.08653	0.4
182.09650	0.5
185.08362	0.5
188.10725	1.3
190.07263	0.2
200.10693	6.4
201.11295	0.2
202.12268	2.8
217.13341	0.6
221.60626	0.2
228.10130	0.4
245.12833	100.0
246.13156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1284
Annotation	Cyclo(phenylalanyl-prolyl)
Peak:m/z	Relative Intensity
53.03938	0.3
53.08821	0.3
55.01863	0.5
55.05492	1.3
56.96569	2.3
57.03429	0.8
57.07058	0.5
67.05499	0.5
69.03415	1.3
69.07065	0.5
69.44487	1.9
69.44921	1.1
70.06572	1.0
70.47456	0.3
71.04991	2.9
72.08159	2.4
72.97104	0.3
73.08488	0.7
79.05473	1.1
80.04552	0.5
80.05009	6.6
81.03412	0.5
81.07031	0.8
82.06576	0.4
83.04968	1.7
84.04446	0.3
84.08142	1.0
84.96017	0.3
85.02895	4.0
86.09701	8.6
87.04453	0.7
91.05466	1.3
93.07036	3.9
94.06541	1.2
95.04958	0.6
95.08598	0.8
96.04487	2.1
96.08115	1.1
97.02909	0.8
97.06535	0.3
98.09668	0.5
98.97585	2.5
103.05482	0.3
105.07006	0.4
106.06567	0.5
107.04880	0.5
107.07355	0.5
107.08570	0.6
108.04399	0.3
108.08142	0.6
109.02849	0.4
109.05262	2.9
109.06433	0.4
110.06041	0.8
111.04399	0.4
116.98637	1.8
117.06999	0.5
118.06561	1.7
119.04940	0.3
119.07325	0.5
120.08119	1.6
121.10071	0.5
122.06041	1.7
126.05507	0.8
127.03948	0.5
129.05479	0.6
129.06908	0.5
129.10274	0.6
130.06535	0.7
132.04453	1.2
132.08092	1.5
133.05202	1.4
134.06036	1.7
134.09673	0.5
134.99654	1.8
135.05525	1.3
135.06750	0.5
135.10478	0.7
136.06340	0.4
136.07561	0.5
142.03195	1.1
142.06511	0.4
143.00133	0.6
146.04785	0.8
146.05951	5.0
146.99678	0.6
147.04410	0.5
147.05539	0.7
147.06798	0.9
148.06398	0.6
148.07558	4.7
149.08405	2.0
150.09120	1.1
151.03854	0.5
153.06824	0.3
158.06049	0.7
158.09622	0.4
159.03261	0.6
159.06798	3.4
160.07582	6.1
161.01221	0.4
162.09145	2.7
162.99081	0.4
163.04979	0.7
165.06795	0.4
170.02545	0.4
171.03319	0.6
171.05527	0.4
172.07533	0.9
172.11142	0.5
173.08359	0.5
174.09123	1.1
177.00729	0.7
179.14293	0.3
182.09573	0.4
184.07536	0.6
185.07077	1.1
186.07822	1.4
186.09293	2.4
188.10667	0.8
189.04320	1.8
189.55702	1.4
198.09192	0.7
199.08655	0.5
200.10762	3.4
201.11517	1.8
201.14505	0.3
202.08643	0.4
203.08182	0.4
210.09126	0.9
211.10022	0.5
212.10732	0.7
213.10243	1.0
216.05434	0.8
227.11957	1.9
228.12575	5.3
234.06377	0.8
236.13756	0.5
237.02803	0.4
245.12842	100.0
246.13176	1.4
253.57822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90821	0.3
53.03944	0.5
55.05510	1.4
56.96553	0.6
58.06586	0.3
67.05493	0.5
68.05001	0.3
69.03432	0.6
69.07048	0.5
70.06574	1.5
71.42883	0.3
71.43233	0.3
72.08144	1.2
73.02893	0.3
76.02214	1.1
79.05482	4.3
80.05005	1.3
81.03395	0.4
81.05790	3.4
81.07042	4.8
82.06561	0.6
83.04972	0.7
83.06112	0.3
84.04496	0.6
84.08128	1.0
85.02899	0.5
86.09711	0.5
91.05466	0.6
93.07047	0.6
94.04192	0.6
94.06555	1.9
95.04952	0.6
96.04505	1.5
96.08121	17.3
98.09678	0.7
101.05934	0.3
105.07008	0.5
106.06524	2.4
107.04948	0.8
107.08548	0.3
111.04422	0.8
112.91994	0.3
113.03445	0.3
116.98597	0.5
117.07001	0.6
119.04889	0.4
119.08580	0.3
120.07191	0.3
122.02703	1.5
122.06010	0.4
123.04398	0.8
124.07578	100.0
125.07931	1.0
127.03930	0.4
128.03456	0.4
129.07002	0.5
138.05487	0.7
139.02170	0.3
139.03905	1.4
142.03194	0.5
147.04410	1.0
150.12633	0.3
156.04770	14.2
158.06316	0.3
160.07555	0.4
171.06538	0.6
174.03975	1.2
181.07924	0.3
188.07071	2.6
199.08987	8.3
199.10965	0.4
201.00716	0.3
201.12268	0.3
202.95314	0.6
216.10190	1.0
227.10678	0.6
228.06892	1.6
245.04227	0.4
245.09569	13.8
245.12778	5.4
245.16528	4.6
245.20032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72301	0.4
55.05502	0.7
57.70743	0.4
67.05498	0.6
69.03429	0.6
70.06586	0.6
70.27071	0.8
70.27464	1.2
72.08138	0.6
72.93804	0.4
79.05548	0.5
80.05013	1.0
86.09695	0.7
91.05489	0.7
93.07021	1.1
98.97541	0.7
105.07009	0.6
107.08594	0.6
108.08124	0.9
110.06021	1.4
122.06030	0.7
126.05538	1.1
130.06482	0.4
131.08400	0.4
142.03136	0.5
146.06017	1.9
148.07597	0.5
158.05984	1.9
160.07576	1.1
172.07561	0.6
174.09167	2.9
188.10718	1.8
200.10692	9.0
202.12276	1.7
217.13437	0.6
223.10847	0.6
228.13820	1.0
245.12849	100.0
246.13150	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.6
63.91657	0.1
66.10517	0.1
71.19465	0.1
71.19814	0.2
82.99912	0.2
85.33996	0.1
98.97571	1.4
101.00859	0.9
116.98605	2.0
118.03536	0.1
119.01908	11.1
120.02006	0.2
122.97820	0.2
134.99664	2.8
135.99985	0.1
136.04613	0.1
136.99208	0.1
137.02940	5.2
138.03015	0.1
140.00197	0.1
140.98763	0.4
142.03488	0.5
153.00833	1.0
158.01294	0.1
158.99857	0.9
160.04550	0.3
165.99677	0.2
173.01161	0.1
174.98582	0.1
175.02934	0.3
176.02310	0.1
177.00932	22.7
178.01051	1.1
178.03900	0.1
178.05573	0.1
179.01433	0.1
179.04056	0.1
179.99077	0.1
182.99701	0.5
183.06143	0.1
184.04494	0.1
193.04083	0.5
195.02016	0.6
200.02550	0.6
201.00885	1.2
201.02533	0.3
215.01591	0.2
215.03841	0.1
215.07460	0.1
217.04066	3.0
218.03659	0.2
219.01978	25.8
220.02081	2.8
220.04222	0.1
221.01974	0.3
224.00063	0.1
225.00789	2.1
225.09557	0.1
234.00545	0.1
237.00142	0.1
237.03056	0.2
238.03262	0.2
242.03578	1.1
243.01903	6.0
244.02045	0.1
260.04611	0.1
261.03027	100.0
262.00424	0.1
262.03156	2.5
263.03549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05491	0.9
56.05054	0.3
56.96288	0.4
56.96561	8.7
56.98969	0.3
57.03435	3.3
61.02924	10.7
69.03429	2.2
69.04560	0.6
70.06585	2.9
70.36003	1.2
70.98121	0.5
71.01355	0.5
71.04986	0.8
71.95254	0.3
72.08153	4.7
73.02903	1.7
74.93166	0.3
74.97614	0.3
81.03426	1.3
82.06568	0.6
83.04979	0.4
83.06091	0.5
84.01544	0.3
84.04492	0.9
84.08141	2.2
84.96042	0.8
85.02898	4.3
86.06101	0.3
87.00803	0.4
87.04455	0.9
88.99170	0.5
90.01557	0.5
91.02331	0.3
91.05422	0.3
92.49548	0.3
93.02026	0.3
95.02469	2.1
95.02969	0.4
95.04978	0.3
96.01550	0.5
97.02882	2.2
98.01279	0.7
98.09664	0.4
98.97580	4.5
99.04495	0.5
100.07618	1.3
100.99154	0.4
101.02340	0.3
105.02043	0.6
109.02876	0.7
110.01267	0.4
110.09684	0.5
110.97539	0.3
111.00223	0.6
111.02035	0.3
112.05082	100.0
113.02370	0.8
115.01498	0.4
115.03957	0.5
115.08712	0.6
116.07050	0.5
116.98617	5.2
117.01955	0.6
118.01012	1.0
118.02840	0.6
119.00121	0.4
119.01862	2.4
119.03455	0.4
120.00748	0.9
120.97900	0.3
121.01647	0.5
124.95435	0.7
126.00772	0.3
126.02561	0.5
127.01531	0.9
127.03949	1.6
128.98584	0.8
129.01283	0.3
129.10257	0.4
131.00153	1.1
131.01791	0.5
132.00752	1.2
133.01624	0.3
133.03407	0.5
133.10143	0.7
134.99667	3.7
137.02951	0.4
138.05560	0.3
139.01550	0.3
141.01263	2.1
141.03076	1.2
141.04800	0.7
142.96539	1.3
143.00172	0.4
143.02850	0.8
144.98090	0.3
145.01721	0.3
146.02194	0.4
146.99644	1.6
147.03072	0.6
148.03784	0.4
149.01231	1.2
150.01793	8.1
150.03656	0.9
152.07069	0.3
152.52121	0.4
152.53906	0.4
154.03819	0.8
156.03630	1.3
157.04488	0.6
158.08136	0.8
158.99664	1.2
159.02325	1.6
160.02084	0.3
160.97569	1.7
161.01216	0.8
161.02946	0.5
161.52605	1.2
162.99199	0.4
163.02786	1.4
163.04405	1.8
165.00722	1.2
168.01718	0.5
169.06212	0.3
170.01622	0.5
170.03253	0.3
170.96153	0.4
170.99550	0.3
173.01270	0.6
173.02966	0.9
174.01900	0.3
174.55144	0.4
174.99127	1.2
175.00847	1.1
177.00719	1.5
177.02132	0.3
178.04962	0.8
178.55141	0.4
179.02187	0.5
181.03787	0.4
181.09766	0.3
182.01389	0.3
183.02292	0.5
184.01297	2.6
184.02954	0.6
184.07307	0.4
184.97620	0.4
188.97057	3.3
189.00713	1.1
190.98698	0.9
191.02130	2.5
191.04041	0.9
191.91060	0.3
193.00171	2.3
193.01721	0.4
195.06511	0.3
196.01256	1.3
198.00786	0.3
198.12436	0.4
200.02559	0.7
201.00754	0.5
202.98622	0.9
203.02118	0.6
205.00185	0.7
205.01848	2.6
205.03790	1.4
205.05537	0.6
205.52048	0.7
206.98120	3.5
207.01645	0.4
211.01404	0.7
211.98689	0.3
212.02608	0.4
213.03340	0.3
214.02391	1.3
214.08768	0.4
216.52536	0.5
217.00162	0.5
219.01784	0.9
220.99709	1.3
223.01169	0.7
224.99199	0.6
226.02432	1.1
226.07146	0.4
226.12056	0.5
227.13879	0.4
230.98166	0.4
232.99727	0.9
235.02882	1.0
235.04901	1.4
235.06752	0.5
239.00710	0.5
244.04843	0.4
244.07254	0.5
244.09479	0.6
244.11732	0.7
244.12967	1.1
244.16652	1.2
248.99170	0.4
262.06024	0.6
263.00851	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.2
57.03434	14.9
58.06594	6.2
59.04967	1.5
59.06916	2.4
59.64001	1.1
61.02922	2.0
66.63792	1.0
70.06579	1.9
70.88753	1.0
71.01351	7.6
71.04971	2.9
71.48632	2.4
73.02913	5.7
83.01325	2.8
84.08137	1.7
85.02918	5.3
85.08463	1.6
87.04472	8.8
89.02389	6.8
101.02373	19.2
103.03938	1.1
111.00819	1.6
113.02302	1.3
115.03922	38.6
115.17421	1.0
117.01830	1.2
127.03909	1.2
128.10774	1.3
129.01836	23.3
131.03438	1.1
133.04947	2.4
143.03383	17.7
147.02861	1.5
157.01317	38.8
158.11777	1.2
159.02921	2.4
161.03178	2.2
161.04422	15.9
171.02873	4.7
175.02406	2.6
176.76793	1.1
189.03926	100.0
196.09656	1.2
207.05016	6.7
224.07628	2.9
225.06248	1.7
242.10486	1.5
242.15779	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	242.967
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27976	1.3
67.11783	2.0
69.87502	10.6
94.59019	1.8
94.93002	20.7
98.21388	2.6
104.10736	6.9
104.74890	1.4
136.94055	2.3
164.93541	4.7
176.93507	100.0
194.94583	2.3
206.94580	5.0
224.95602	11.5
226.53603	1.8
242.96690	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	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.2
57.25792	0.2
58.06596	14.2
64.30711	0.2
69.03438	0.2
70.06592	2.5
71.23438	0.4
72.08150	1.0
81.03400	0.4
84.08138	8.3
85.06527	0.3
90.24371	0.2
91.05486	0.2
93.07050	0.2
96.47245	0.2
98.06052	0.3
98.09674	1.4
98.97565	0.4
100.11247	0.5
101.74867	0.2
108.60414	0.2
110.64075	0.2
114.05554	0.3
114.38306	0.2
116.07117	0.3
116.98601	0.3
126.05477	0.4
126.09117	0.2
126.48915	0.2
128.10709	3.7
134.99728	0.2
144.10194	1.2
147.04433	0.8
152.10651	0.2
158.08081	0.2
168.10178	0.8
196.09683	4.6
211.14302	0.2
213.16005	0.5
218.11638	0.2
241.15453	100.0
242.15825	1.0
247.64890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2161
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
55.01848	1.1
55.05256	1.3
55.05506	15.3
57.03423	3.0
57.07073	4.8
59.04980	1.6
64.77461	0.7
65.38783	0.8
67.05170	1.0
67.05501	18.3
69.03407	2.6
69.07065	24.6
69.24976	0.7
69.29855	0.7
69.77898	0.7
71.04989	8.9
71.08622	1.4
71.62762	1.1
71.63126	0.9
72.08144	7.2
75.02685	1.2
79.05490	6.9
81.03407	1.7
81.07051	39.9
83.04951	1.3
83.08607	14.4
85.06537	100.0
85.10153	1.3
86.09694	2.1
91.05469	4.0
93.03712	5.0
93.07036	13.2
95.04934	2.4
95.08601	57.3
97.02875	3.0
97.06523	3.9
97.10146	10.0
98.06010	0.8
99.08080	19.0
103.07587	1.6
105.07024	3.2
107.04936	2.5
107.08589	16.6
109.02813	0.9
109.06502	1.6
109.10145	36.8
111.04457	1.2
111.08075	2.7
111.11706	3.7
112.41637	0.7
113.09634	4.9
119.08582	1.8
121.06552	1.2
121.10133	13.9
123.08104	1.4
123.11698	46.6
125.09613	2.5
127.11180	2.8
130.87222	0.8
131.08585	1.0
133.10159	2.3
134.99596	1.6
135.08083	1.4
135.11688	11.5
137.13252	3.5
139.11192	1.8
141.12753	2.1
142.86060	0.9
143.08554	1.0
145.10112	2.3
147.04391	6.0
147.11729	0.9
149.13249	14.0
153.12738	1.4
156.09377	1.0
157.10106	2.3
158.01164	0.8
159.11710	1.7
163.14781	5.3
165.16415	1.7
167.07098	1.0
167.08539	1.3
167.14330	1.5
171.11739	1.6
177.12828	0.9
177.16394	2.0
179.17949	3.0
180.51201	0.8
181.04980	1.9
185.09593	2.1
185.13239	1.0
198.06668	0.9
205.12265	0.9
205.19481	14.8
213.09007	2.3
223.13202	1.5
223.16986	1.6
223.20552	13.1
226.06201	0.9
241.04906	1.6
241.08635	6.0
241.12212	1.5
241.15953	5.3
241.19704	2.7
241.21626	48.5
242.15337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2367
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03931	0.8
55.05505	18.7
56.91311	0.6
57.07071	100.0
58.07405	0.9
65.03928	0.6
65.46415	0.5
67.05498	38.1
69.07062	21.4
69.60826	4.9
70.10059	0.5
71.04980	1.2
71.08625	64.1
71.69627	0.6
72.04504	3.1
79.05496	3.8
81.07050	42.9
82.68191	0.5
83.08612	25.4
83.52444	0.6
85.06543	2.7
85.10173	30.0
88.02222	2.0
89.06049	2.3
91.05479	1.1
93.07059	2.5
95.04948	0.9
95.08598	59.0
97.10153	10.8
99.08105	1.3
99.11726	1.2
105.07027	0.7
109.10146	23.6
111.11744	1.6
119.08548	0.7
121.10141	0.9
122.76252	0.6
123.11706	8.2
137.13283	2.4
139.11292	0.6
151.14882	1.2
183.06697	0.9
183.11664	0.9
193.15971	0.6
211.07692	0.7
221.22586	0.9
239.06908	0.9
239.08932	2.6
239.12813	1.4
239.18065	2.0
239.23772	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	240.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92859	3.9
63.72145	4.9
70.44907	11.9
114.94222	4.6
138.96356	4.3
156.97479	46.1
172.47476	4.0
174.98523	97.9
178.57794	4.8
179.99022	6.7
186.31514	4.5
198.00179	12.2
198.98502	33.9
216.01204	9.8
216.99550	100.0
240.01259	7.5
240.08994	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	241.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05183	0.4
54.44020	0.5
54.98631	0.7
56.96561	19.6
69.07047	0.9
70.64667	1.2
71.95263	2.8
77.00897	0.6
80.06367	0.5
93.03703	1.0
93.07021	0.6
98.21362	0.7
98.97575	73.9
107.85028	0.5
109.38634	0.5
111.08087	0.5
116.98613	100.0
118.03616	0.5
119.01914	2.8
133.03407	0.5
134.99649	90.7
137.02942	1.5
140.00191	3.2
153.00696	19.7
158.00053	0.8
158.01250	7.1
176.02269	2.0
176.03915	0.5
177.00803	4.4
192.98788	1.0
195.01770	2.2
199.47722	0.5
200.02412	0.8
201.00951	0.7
213.06105	1.4
216.98679	1.2
217.09235	0.8
218.03421	0.8
218.05049	0.6
218.06795	1.0
219.01974	8.4
220.02045	0.9
234.99918	2.2
236.07791	0.9
240.98686	3.0
241.08592	0.7
242.03662	1.1
258.99771	31.0
259.99942	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	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.96543	0.4
57.03426	0.4
58.06594	13.3
61.02909	0.8
70.06592	2.4
70.32801	0.9
70.33151	0.2
71.04968	0.3
72.08137	0.6
75.56441	0.2
81.03398	0.4
83.99701	0.2
84.08134	7.6
85.02904	0.4
86.09701	0.3
98.06033	0.4
98.09699	1.3
98.97544	0.4
100.11272	0.4
104.10731	1.9
104.96957	0.2
114.05507	0.5
116.07101	0.5
116.98576	0.4
126.05453	0.2
126.09140	0.4
128.10707	3.0
128.98570	0.2
135.03091	0.3
144.10181	1.0
147.04375	1.2
160.64561	0.3
168.10139	0.9
177.74811	0.2
194.63055	0.2
196.09659	4.4
213.15941	0.3
219.01810	0.3
241.15451	100.0
242.15797	1.2
243.79697	0.2
251.04292	0.2
261.76190	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	239.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01867	2.7
55.05501	1.9
56.05022	2.2
56.96547	1.5
57.03429	0.5
57.07071	1.9
58.06584	0.9
60.04509	0.5
64.87002	0.4
67.05497	4.7
68.05016	0.8
69.03414	1.4
69.07062	2.3
69.50304	0.9
69.50698	2.9
70.06586	4.9
71.04987	2.9
71.08612	0.5
72.04508	4.7
72.08157	3.0
73.23785	0.4
79.05486	4.2
80.05030	0.7
81.03399	1.1
81.07052	6.2
82.06579	3.4
83.04964	1.0
83.08603	1.9
84.04481	0.7
84.08135	12.0
85.02890	2.6
85.06553	0.9
86.06067	0.8
88.07605	0.8
89.06033	1.0
91.05463	4.0
93.07035	4.5
94.06550	1.3
95.04961	1.3
95.08604	3.7
96.08118	6.3
97.02896	1.0
97.06534	1.0
97.07635	0.8
97.10159	0.5
98.06044	1.3
98.09689	0.5
98.97570	1.0
99.04438	0.7
105.03383	0.4
105.07020	1.4
106.06560	1.0
107.04982	1.1
107.08580	1.7
108.04487	0.5
108.08109	6.4
109.02893	0.7
109.06507	1.4
109.10124	2.2
110.06039	2.1
110.07121	0.8
110.09674	1.5
112.07586	1.3
114.10284	2.9
114.12785	0.8
115.08762	0.3
116.98593	0.7
117.07006	0.6
118.06512	0.4
119.04954	0.9
119.08577	1.0
120.08105	1.2
121.06503	0.4
121.10126	0.8
122.09677	2.2
123.04414	0.9
123.08092	0.5
123.11679	0.8
124.07584	6.4
126.09180	1.1
127.03898	0.7
128.07016	0.4
130.08649	0.9
131.04927	1.1
131.08578	0.9
133.06499	0.9
133.08597	0.5
133.10130	1.6
134.09676	1.6
134.99590	0.5
136.07561	1.1
136.11208	0.8
137.05969	0.8
138.09125	4.3
141.10194	0.5
145.04924	0.5
145.10126	1.0
147.04410	1.9
147.11534	0.4
148.07564	1.5
148.11206	0.7
150.09128	32.9
150.12764	1.7
151.03923	0.4
151.07533	0.6
151.11073	0.5
151.14856	0.5
152.10727	1.9
161.09651	0.4
162.09123	3.9
162.12778	1.5
163.09946	0.5
164.10677	0.6
165.05435	0.5
165.09030	0.5
166.12288	0.4
167.11758	2.9
168.12570	0.3
168.13809	2.1
172.95244	0.7
175.11174	0.7
177.00607	0.5
177.05478	1.2
178.08582	0.6
178.12212	0.6
179.15422	2.4
180.10233	4.5
180.13823	23.6
182.11694	0.4
190.12315	0.5
192.13806	7.4
193.13409	1.0
194.11781	1.6
195.11249	1.9
196.09656	0.6
203.03453	0.5
203.05450	0.5
204.13797	3.9
207.05069	0.4
209.16460	2.8
210.11234	2.4
211.07498	0.4
221.04422	0.8
221.12816	1.3
221.16458	1.4
222.07458	0.4
222.11375	0.7
222.14874	8.9
230.58711	0.4
237.02757	0.5
239.08815	4.1
239.13986	20.1
239.17537	100.0
240.08678	0.6
240.12273	1.2
240.17845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71352	0.5
53.00286	0.5
53.03924	2.0
55.05490	1.8
56.05022	0.9
56.96553	1.3
57.07042	0.6
58.02943	2.8
65.03933	1.3
67.05490	0.7
69.03400	0.8
69.07069	1.0
70.06585	3.1
70.07089	3.2
72.08157	5.2
77.03910	1.0
79.05469	1.3
81.03453	0.6
81.07029	0.9
82.06538	1.0
83.04991	0.8
84.08118	1.8
86.09698	1.0
88.03976	3.5
89.03880	0.7
91.05478	27.8
93.07038	1.2
95.04961	4.6
97.02877	0.7
97.06513	0.8
99.04469	0.7
103.05457	1.2
105.03386	37.4
105.06983	1.1
106.06552	0.7
107.04927	2.4
108.20201	0.6
116.03421	1.3
116.07090	1.1
118.04131	1.9
119.04934	37.5
120.08068	2.2
121.02904	0.8
123.04404	1.0
124.07626	0.8
127.03898	1.0
131.04903	0.9
131.12854	1.1
132.02025	1.1
132.06563	0.6
133.02849	0.9
134.99550	0.7
135.04420	1.6
136.05153	0.7
136.07607	0.9
137.05948	0.7
146.05957	0.7
146.09610	0.9
147.04399	33.4
149.02313	1.3
149.05991	0.8
157.03952	2.7
158.06853	1.1
163.03871	1.1
164.04659	2.0
167.06946	0.6
174.09142	0.9
174.12842	1.9
175.03897	56.4
176.04399	0.8
177.05452	0.9
179.07040	3.4
181.08603	1.3
192.04134	3.2
192.06537	1.2
192.10138	1.3
192.13837	2.6
192.15422	0.7
207.06512	100.0
208.06816	1.4
220.06226	1.2
220.09668	1.8
220.13332	0.9
220.61664	0.7
237.56787	1.0
238.07011	1.4
238.08815	0.7
238.10800	10.4
238.14279	3.6
238.16408	1.1
238.18294	0.8
238.22371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03929	2.7
55.01857	2.3
55.05507	61.7
55.05777	3.3
57.07066	6.4
59.04983	5.9
65.03939	3.3
67.05495	20.7
69.03400	5.9
69.07060	17.1
70.91823	4.5
70.92159	2.2
71.04987	39.2
73.06532	2.0
79.05498	17.1
81.03403	7.2
81.07049	54.0
83.04972	84.2
83.08606	4.5
85.06538	10.0
91.05470	18.5
93.07036	42.4
95.04956	15.8
95.08596	34.5
97.02867	2.2
97.06508	16.2
97.10167	3.6
99.08089	7.6
105.03391	2.9
105.07012	41.5
107.08578	35.8
109.06499	12.3
109.10145	36.8
111.04418	2.6
111.08073	17.4
113.09610	3.5
115.05441	2.1
117.07002	5.1
119.08592	17.1
121.06496	1.9
121.10131	51.7
123.08031	8.9
123.11687	22.2
125.09621	8.3
127.07520	3.2
127.11186	7.1
130.07716	2.7
131.04906	2.2
131.08548	13.9
133.10118	100.0
135.08070	3.7
135.11668	19.1
137.09618	5.4
137.13237	5.7
139.11172	26.9
143.08473	2.4
144.05632	2.4
144.09402	1.9
145.06519	1.9
145.10088	18.7
147.11688	19.7
149.09619	7.6
149.13261	19.6
151.11162	49.0
153.12721	16.5
157.10066	2.2
159.08041	3.6
159.11662	28.8
161.05879	2.0
161.13243	8.3
163.07574	3.9
163.11194	8.1
165.12897	2.4
167.14311	2.3
173.13225	5.4
175.14830	4.1
177.05466	4.1
177.12753	7.1
177.16393	4.3
179.14305	2.6
181.12207	3.2
185.07095	2.3
187.07506	1.9
191.03430	4.4
191.08533	2.0
191.17931	5.1
201.16399	20.7
209.04456	3.2
209.09650	2.6
219.06500	25.5
219.10143	5.7
219.13812	4.4
219.17407	31.8
219.19344	2.9
226.46864	1.9
237.07378	4.5
237.11148	4.7
237.14769	5.2
237.18477	83.1
237.22165	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	237.1846
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
50.69463	0.8
51.43401	1.0
53.03933	1.7
55.05503	6.6
55.74496	0.8
57.07066	3.6
63.78109	0.8
65.03922	2.0
67.05498	41.0
68.59581	0.8
69.07059	6.9
69.97952	0.9
71.04987	1.5
71.63174	1.5
73.74924	0.8
77.40819	0.8
77.99886	0.9
79.05484	13.8
79.95286	1.0
81.07049	100.0
83.04958	2.7
83.08619	4.9
85.02884	1.4
85.06510	1.0
89.60772	1.0
91.05472	3.5
93.07028	10.6
95.04943	1.1
95.08598	75.8
97.06496	2.1
97.10163	2.0
101.07954	0.9
103.05465	1.1
105.07033	2.8
107.08570	9.0
108.71425	1.0
109.06496	1.8
109.10148	28.8
111.04427	1.5
111.08070	2.6
117.07018	1.6
119.08549	4.5
121.06426	1.1
121.10141	8.8
123.08058	2.4
123.11696	5.8
125.06010	1.3
126.22521	0.9
131.08540	2.9
133.10091	2.0
135.07991	1.7
135.11652	8.8
137.09587	3.2
139.07545	1.1
145.10101	2.7
149.09569	2.2
149.13266	1.5
151.11176	1.0
153.05313	1.0
159.11723	2.4
163.07742	1.1
163.11176	2.3
163.14749	0.9
163.63208	0.9
173.13228	1.5
177.16330	1.9
181.12244	3.5
189.89696	0.9
191.14429	1.5
191.17924	1.2
195.13712	1.1
201.16330	5.9
209.11639	2.2
219.17465	5.7
237.14807	2.4
237.18495	39.1
237.21964	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	237.0868
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
57.36073	0.3
70.46439	1.6
72.08139	0.8
74.02427	3.4
75.03191	0.8
80.05012	0.9
91.05461	1.5
92.05015	0.7
94.06568	2.3
99.00833	0.6
103.05459	0.4
104.04972	0.6
106.73356	0.3
108.04460	0.7
110.06055	1.8
111.36492	0.4
111.76902	0.4
117.05733	0.4
118.06535	7.0
118.22883	0.3
120.04441	2.0
120.08035	0.5
122.06054	0.5
125.09661	0.4
128.04953	4.3
130.06516	10.1
131.04916	0.5
131.07304	0.8
132.04433	1.5
133.05228	1.7
134.05948	0.4
136.07571	4.9
142.34387	0.3
143.07283	0.5
144.08076	0.6
145.07614	0.8
146.05998	100.0
147.06389	1.5
148.03911	8.2
149.04907	0.5
150.05478	1.4
157.07602	8.7
158.06001	0.8
159.09166	2.0
163.08669	0.4
164.07083	1.9
170.82462	0.4
173.07092	2.7
174.05499	10.6
174.07806	0.5
176.07066	0.9
178.04977	1.3
191.08124	11.5
192.06549	2.1
198.95064	0.4
201.06619	0.5
202.05011	1.9
203.08156	7.4
204.08882	0.6
214.19312	0.4
219.07677	0.7
219.11327	1.7
220.06056	3.6
220.08232	0.9
237.08691	8.7
237.12410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1483
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.64060	0.6
53.03946	3.7
55.01869	2.5
55.05510	5.5
57.03429	1.4
57.07070	2.0
62.78975	0.6
63.47498	0.6
65.03941	1.9
65.83802	0.5
67.05500	17.8
67.91733	0.6
69.03432	5.1
69.07063	6.5
71.04980	5.0
74.29718	0.8
77.03904	0.9
79.05488	51.2
81.03423	2.2
81.07050	30.7
83.04980	4.7
83.08625	2.5
84.03374	0.6
84.16977	0.7
85.02912	0.7
85.06535	3.3
87.04460	12.6
91.05474	36.1
93.03394	0.7
93.07037	100.0
94.07356	1.0
95.04964	15.4
95.08601	21.5
97.06521	7.5
97.10171	1.3
99.04437	0.8
99.08104	1.5
101.06016	8.4
103.05480	1.0
105.04522	2.0
105.07023	28.8
107.04935	0.8
107.08588	62.2
109.06506	5.3
109.10152	8.6
111.08062	2.7
113.05974	2.7
115.03923	5.2
115.05437	0.7
115.07566	3.6
117.07003	7.0
119.04971	1.0
119.06015	0.6
119.08575	20.9
121.06494	1.2
121.10137	10.9
123.08067	4.8
123.11689	1.6
125.09601	1.4
127.07573	0.9
129.05519	2.9
129.07030	1.4
130.07756	0.7
131.08559	21.2
133.06451	0.7
133.10120	6.2
135.08029	2.1
135.11708	3.5
137.05956	1.3
137.09605	0.9
141.05446	8.9
143.07018	0.7
143.08571	0.7
144.09279	1.1
145.06447	0.8
145.10115	15.3
147.11682	13.9
149.09650	0.9
149.13235	6.1
151.07527	1.3
151.11220	0.7
155.07011	3.1
155.08490	0.9
157.10092	2.2
159.08005	1.3
159.11705	6.3
161.13235	3.9
163.07509	1.9
163.14839	1.1
171.11699	1.1
173.09644	0.8
173.13251	22.3
173.80983	0.6
177.09103	1.1
177.12691	1.0
177.16351	1.4
181.08664	1.0
183.11684	3.3
191.14253	3.3
195.11708	0.7
201.12718	4.7
219.13783	5.7
219.17404	1.5
237.05666	0.9
237.11023	1.4
237.14812	38.4
237.18474	2.1
237.22017	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	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03930	3.9
55.01865	4.2
55.05509	24.8
56.96555	4.3
57.03425	5.8
57.07069	7.2
59.04984	6.8
67.05493	26.9
68.05019	2.4
69.03421	38.0
69.07061	19.7
71.04586	3.8
71.04987	72.1
72.08142	2.1
72.77021	2.6
79.05479	25.5
81.03412	4.4
81.07047	94.2
82.07390	2.3
83.04978	19.1
83.08603	10.9
84.08150	2.8
85.06526	8.3
91.05473	17.4
93.07030	43.6
94.73122	2.2
95.04961	18.4
95.08593	28.7
97.02883	8.8
97.06528	14.8
97.10164	5.7
98.21457	3.8
98.97568	3.2
99.08087	26.2
105.03370	4.1
105.07017	44.4
106.02838	3.0
107.04945	3.9
107.08582	46.4
109.06506	36.2
109.10150	45.7
111.04424	2.4
111.08063	5.2
116.98617	3.8
117.07014	10.3
119.08587	23.5
120.08129	2.3
121.06539	3.6
121.10145	27.9
123.08052	8.1
123.11703	21.5
125.09608	19.1
127.07533	9.2
127.11176	83.3
131.04921	2.6
131.08562	11.2
133.10110	71.1
135.08044	6.1
135.11685	15.9
137.09644	6.7
139.11180	11.7
143.10637	16.5
145.10124	29.8
146.05959	2.5
147.11665	16.3
148.04796	2.6
148.07593	2.5
149.09628	6.9
149.13248	8.2
151.09946	5.3
151.11166	100.0
153.09183	2.7
153.12750	4.7
155.10638	28.5
156.08040	2.9
157.10100	2.5
158.99593	3.8
159.11658	14.3
161.09630	2.6
161.13255	5.0
162.09172	6.6
163.07533	3.2
163.11188	6.6
173.13266	6.3
175.14755	3.5
177.00761	5.9
177.05449	5.2
177.12747	6.9
177.16400	5.3
181.08516	3.1
190.12311	5.2
191.14258	4.0
191.17941	3.2
201.16364	14.5
216.10147	3.6
219.10139	4.5
219.13715	5.4
219.17409	25.3
219.20836	2.4
228.10254	3.2
237.05490	2.9
237.07475	5.3
237.10922	8.1
237.15962	15.5
237.18466	38.6
237.22017	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	235.2054
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05505	10.8
57.03443	6.5
57.07081	30.3
59.13079	4.4
61.57280	4.0
64.01367	4.6
67.05492	21.7
69.07052	13.9
71.35723	6.5
71.36053	9.3
72.08128	7.8
79.05492	8.1
81.07051	35.7
83.38599	4.8
89.10772	5.3
91.05465	11.8
93.07047	19.2
95.08592	58.5
97.10125	8.1
105.07040	28.2
107.08594	28.0
109.10137	51.0
111.08070	8.8
119.08590	38.1
121.10133	35.9
123.11697	20.3
125.09565	7.5
126.45435	5.0
133.10094	25.9
135.11697	20.0
137.13278	5.9
139.11105	12.8
147.04385	32.2
147.11690	36.6
161.13303	26.1
163.14793	11.4
175.14883	8.3
177.16374	15.8
179.10701	24.8
205.19437	5.3
217.19510	84.4
235.14662	4.8
235.16895	100.0
235.20486	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1279
Annotation	10-Hydroxydarlingine
Peak:m/z	Relative Intensity
50.75792	0.2
51.02379	0.2
52.37329	0.2
55.05502	0.9
55.47787	0.2
65.03941	0.6
71.37769	0.4
71.38099	0.2
72.08147	10.0
73.06548	1.0
73.08468	0.3
90.09184	7.2
91.04886	0.3
91.05471	7.6
119.04931	26.5
120.05309	0.2
120.58907	0.4
121.09060	0.5
147.04391	100.0
148.04721	1.3
152.07036	0.2
164.40337	0.2
169.09755	0.2
199.94370	0.2
206.64424	0.2
218.11671	0.3
219.12080	0.4
236.12758	2.2
247.90576	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	235.1691
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03921	1.8
55.01847	1.9
55.05507	10.3
56.96550	1.2
57.03410	1.3
57.06818	1.4
57.07069	18.0
59.04979	3.3
67.05497	9.7
69.03403	2.9
69.06779	1.0
69.07068	11.4
69.89373	6.4
71.04987	6.8
72.08150	18.1
73.08480	1.1
79.05495	9.4
81.07050	16.8
83.04974	2.7
83.08611	5.4
85.06512	2.5
88.48450	1.0
89.10773	4.1
91.05470	18.1
93.07033	18.0
95.04957	9.8
95.08612	17.6
97.06508	4.0
97.10171	1.2
99.04395	1.2
103.05458	1.4
105.07022	28.8
107.04930	2.2
107.08591	27.7
109.06528	7.2
109.10158	14.8
110.02351	2.1
110.52713	1.1
111.08040	3.2
111.16164	1.1
114.82923	0.9
115.05424	2.8
117.07018	7.0
117.35038	0.9
119.04919	9.1
119.08572	77.2
120.05200	0.9
120.58879	2.3
121.06479	2.0
121.10130	16.0
123.04420	1.3
123.08044	4.3
123.11705	5.0
128.06195	2.9
129.06961	4.5
131.08559	14.3
133.06482	1.8
133.10118	40.8
135.07088	1.5
135.08041	15.7
135.11652	6.8
137.09587	4.7
142.07774	3.0
143.08546	8.1
143.62114	1.0
145.06468	2.8
145.10100	13.0
146.07280	1.7
147.04399	36.2
147.08063	5.4
147.11658	16.5
149.09610	3.5
149.13243	2.6
151.11154	4.6
152.07059	1.7
155.08470	1.2
156.09319	3.0
157.10121	11.9
158.10863	2.5
159.08084	1.5
159.11725	11.9
160.08771	1.8
161.09610	44.5
161.13231	3.5
162.10187	1.2
163.07555	1.2
169.09798	1.3
170.10818	1.8
171.11688	5.6
173.05887	1.9
173.13277	17.7
175.07486	1.2
175.11188	12.1
175.14813	17.1
177.12724	4.9
179.10654	18.6
184.12450	1.5
187.11191	2.4
187.14795	4.7
189.12698	2.4
189.16380	14.9
191.14259	2.5
192.96767	1.1
193.15840	4.2
199.14806	10.6
202.13466	1.8
217.08733	1.6
217.15866	77.2
217.19371	3.7
218.11763	11.6
218.16200	1.3
235.09468	2.8
235.16893	100.0
235.20239	6.2
236.17188	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	234.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.9
57.03422	1.4
58.06599	4.6
59.04991	2.1
61.02901	1.0
62.89725	0.9
67.91588	0.9
69.85976	6.4
70.06580	5.3
72.08152	100.0
73.02912	1.0
77.96773	1.0
84.08140	11.6
85.02895	1.3
86.03662	1.0
86.06059	2.9
88.07623	7.3
94.93002	1.4
96.92818	1.2
98.97555	4.6
109.02907	1.1
112.11212	4.3
116.98602	4.4
118.05017	5.5
119.01923	3.1
120.02021	1.8
128.07098	1.4
128.86237	0.9
129.13890	1.1
130.08603	3.3
134.99632	2.5
136.94011	7.9
137.02937	1.1
145.03441	1.7
146.03578	1.7
146.08112	59.6
147.03204	1.4
160.09717	7.4
161.02954	1.8
162.03001	2.0
163.10788	9.5
164.04729	1.5
165.04216	1.7
173.02972	1.3
176.04675	1.6
177.00688	2.1
191.04036	1.2
192.04164	2.7
193.00229	2.0
193.01895	1.0
193.03770	1.6
201.00761	1.1
207.05150	2.0
211.01364	1.5
217.15465	45.2
223.06313	1.4
234.01289	1.5
234.05144	1.3
234.18105	92.2
234.91975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.169
Annotation	(3E)-Laurediol
Peak:m/z	Relative Intensity
51.02381	1.0
53.03944	4.0
55.01884	0.6
55.05515	3.7
57.07069	5.6
67.05498	19.8
69.03423	0.8
69.07050	2.5
70.37090	1.5
70.38915	0.5
71.04979	1.0
72.08150	11.7
73.08491	0.6
77.03909	0.8
79.05487	24.3
81.03417	1.0
81.07054	9.4
83.04996	0.9
83.08613	1.6
85.06537	0.8
89.10785	2.4
91.04887	1.0
91.05473	36.6
93.07034	100.0
94.07393	1.0
95.04964	11.9
95.08608	7.6
97.06515	1.0
97.10157	0.6
99.04488	0.6
99.08051	0.7
105.04496	2.3
105.07019	5.6
107.04955	1.0
107.08589	13.0
109.06495	1.7
109.10143	2.5
110.02387	1.1
111.08101	0.6
117.06998	1.4
119.04939	4.4
119.08556	4.9
120.58916	1.7
121.06455	0.7
121.10131	19.1
123.11667	0.8
129.06989	1.3
131.08545	2.2
133.10126	6.3
135.08046	2.3
135.11661	4.6
137.09583	1.2
143.08513	0.9
145.10069	1.0
147.04395	21.7
147.11642	1.8
148.04718	1.5
149.09601	1.0
151.11143	1.0
152.07037	0.9
153.09138	1.2
157.10103	2.0
159.11568	0.6
161.09602	0.6
169.09753	0.6
171.11687	1.2
173.05960	0.9
173.13217	1.4
175.07501	0.7
175.11208	0.7
175.14828	2.6
179.10664	3.1
189.16339	2.7
193.12134	1.2
199.14751	2.7
217.12300	0.6
217.15979	3.0
217.19449	0.9
218.11749	5.9
226.63036	0.8
235.09557	0.7
235.14388	4.3
235.16843	29.5
235.20633	1.8
251.75352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	8.0
56.96565	41.7
57.03424	8.4
61.02926	36.0
68.05018	4.5
69.03413	9.3
70.06570	26.8
71.04978	4.4
71.61900	8.4
72.08147	43.6
73.02901	5.2
81.03405	5.3
82.06554	6.6
84.04475	5.9
84.08135	59.7
84.96021	5.7
85.02895	12.5
86.09698	14.0
98.06072	6.9
98.09696	18.9
100.07605	7.8
100.99111	7.1
101.00904	11.0
110.07150	7.5
110.97591	6.6
112.07606	7.6
116.07073	20.3
119.00160	9.5
119.01923	26.4
128.98602	9.8
130.08627	5.5
131.01900	5.2
133.03470	12.4
134.08118	7.8
135.53374	5.8
143.01877	15.4
144.06569	4.8
144.10193	33.2
145.03444	11.7
146.99660	5.0
147.04390	10.3
157.03497	5.5
161.02936	48.3
162.99069	9.2
163.04214	4.5
165.00745	8.9
173.02928	5.7
175.04553	7.0
190.98592	13.6
191.03908	7.0
198.11224	6.3
201.13525	6.0
205.10738	6.5
208.99684	19.4
215.13919	5.6
216.12221	6.1
227.00616	5.3
233.06396	100.0
233.12086	26.0
233.15018	21.5
233.16895	6.3
233.20154	40.3
253.07742	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	229.1547
Annotation	Pro Ile
Peak:m/z	Relative Intensity
51.62806	0.3
55.01865	0.6
56.96546	1.4
57.03431	0.4
58.06339	0.4
58.06596	5.3
59.07373	0.9
60.07884	0.5
60.08162	7.5
66.83819	0.3
68.05006	1.3
70.06587	36.1
71.31087	0.9
71.66803	0.3
72.08149	1.1
75.84682	0.3
82.36282	0.3
85.02915	0.4
87.40514	0.3
88.05000	0.3
92.23084	0.3
96.08105	1.4
97.12126	0.3
98.06042	0.5
98.97568	1.2
114.05534	4.0
114.09152	1.8
116.07114	0.8
116.98604	1.1
119.01911	0.7
124.07573	3.7
126.09097	0.8
134.99658	0.7
142.08626	33.5
147.04428	0.4
155.29584	0.3
170.08200	1.9
183.14900	0.4
229.15450	100.0
230.15750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
56.05030	1.9
56.96563	10.8
58.99860	2.0
63.88518	0.4
69.52868	0.4
69.85725	1.1
69.86147	1.7
70.06567	0.8
70.99869	0.8
71.75553	0.4
74.97626	0.7
77.00907	2.7
82.01442	0.8
82.99873	1.3
84.04497	8.8
84.08128	1.6
84.96029	0.7
85.02892	1.1
89.00870	0.6
90.04053	0.4
95.01933	0.8
97.02903	0.8
97.96755	0.6
98.20760	0.4
98.97575	6.8
100.02477	6.7
101.00871	17.7
103.02452	1.9
105.00357	0.8
106.00267	1.1
113.00871	0.6
115.02446	1.8
116.05603	1.9
116.98609	6.4
117.02133	0.6
118.00269	0.9
118.01082	0.6
118.03502	7.4
119.01912	100.0
120.01988	2.4
121.01636	1.4
121.02443	0.7
121.03479	1.5
123.04063	0.5
124.02446	1.9
125.99249	1.4
126.01804	0.5
127.00811	1.7
127.02411	1.5
128.98558	0.6
129.51088	0.6
131.00124	0.4
131.01886	4.3
132.05083	1.2
132.96628	0.8
133.03455	3.4
134.06622	1.9
134.99692	9.3
135.00613	0.8
135.49805	1.2
135.99765	0.9
136.04547	2.4
136.99248	0.5
137.02946	26.0
137.49977	0.6
137.51654	0.8
138.51677	0.8
139.00768	0.7
139.01695	1.0
140.01608	0.6
141.00504	2.3
141.05116	0.4
142.03488	19.5
142.04601	1.0
143.00200	0.6
143.01880	8.8
143.03607	0.6
144.05066	1.8
145.03455	22.4
145.50548	0.8
146.99626	1.0
148.01381	0.7
148.97610	0.5
149.02966	1.8
151.00722	0.6
152.01474	0.7
152.04056	0.6
153.00734	2.3
154.01138	0.5
154.03424	2.2
156.05099	0.6
157.03465	1.2
157.50562	1.3
158.01273	0.6
158.06696	0.8
158.51329	0.7
159.01457	3.6
159.50305	0.7
160.02521	0.5
160.04546	15.8
160.99519	1.4
161.01451	1.0
161.02948	18.4
161.04343	0.6
161.49489	0.9
162.01083	0.9
162.03116	0.7
162.06134	1.0
162.99208	1.8
163.04507	5.9
165.00633	0.5
165.05104	0.9
166.03430	2.4
166.51076	0.6
167.02136	0.7
167.99095	0.5
168.00439	0.6
168.05019	1.2
168.50786	1.7
169.00223	0.6
169.99989	1.9
170.03000	2.4
171.00015	1.0
171.01387	4.0
171.04929	0.5
171.99699	0.5
172.04614	0.8
172.53516	0.4
173.03053	1.2
173.50478	0.5
173.51852	0.8
174.00844	0.7
174.02080	1.0
174.99095	0.6
175.04562	1.1
176.00912	0.9
176.02316	0.5
177.00902	2.0
177.02406	12.6
178.05617	1.8
180.01993	0.7
180.50819	1.9
181.03477	0.6
181.51567	0.8
182.00136	1.1
182.02983	3.4
182.50522	0.6
182.98854	0.5
183.99840	2.5
184.04546	49.0
185.03123	1.0
185.04652	0.6
186.06161	0.9
187.04482	0.7
188.00670	0.6
188.03995	2.7
188.99733	1.0
189.02481	22.2
189.51309	0.6
190.02505	0.7
192.98677	0.7
193.00294	1.3
194.50470	1.0
194.98740	0.5
195.03590	0.8
195.50661	0.5
196.02335	0.5
197.00583	0.5
198.00327	1.6
198.02087	0.7
198.02888	1.4
199.04543	2.9
200.02309	0.8
200.03899	2.1
201.02438	1.0
201.51465	0.6
202.05594	34.0
203.02342	0.9
203.04001	1.4
203.05775	0.8
203.99483	2.7
204.03011	0.6
204.04985	0.8
204.52905	0.9
205.00424	2.2
206.05101	1.9
206.51489	0.6
207.01894	0.9
207.03465	3.6
207.06117	1.6
207.51495	0.8
208.50342	1.2
210.00250	0.7
212.04047	2.6
212.07542	0.5
213.00040	8.2
213.50182	2.0
214.00009	1.8
215.50916	0.7
216.52107	0.8
216.98657	0.6
218.51297	0.5
219.02097	0.8
219.03656	1.0
222.06134	1.2
224.50832	1.0
225.04559	0.9
225.07140	1.1
227.02261	0.5
228.03210	0.6
230.05090	19.8
231.01704	0.6
232.99910	0.9
247.01581	0.8
248.01839	0.6
248.06149	16.9
249.04376	0.7
253.06705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
56.72744	0.2
56.96557	0.2
57.03418	0.4
58.06302	0.3
58.06594	4.9
59.07381	0.8
60.08160	6.1
61.02922	0.5
63.71957	0.2
68.05022	0.9
69.03436	0.3
69.47810	0.2
69.53147	1.4
69.53491	0.3
70.06584	29.5
71.04974	0.3
72.08168	0.8
73.02903	0.4
76.69631	0.2
81.03421	0.3
81.04571	0.2
84.04504	0.3
84.08145	0.3
85.02891	0.6
95.06073	0.7
96.08145	1.3
97.02878	0.3
98.06039	0.7
100.07610	0.4
101.00867	0.3
107.18633	0.2
110.96916	0.2
114.05515	3.4
114.06326	0.3
114.06590	0.2
114.09169	1.9
116.07094	1.1
116.98640	0.3
119.01917	1.3
124.07571	3.1
126.09147	0.4
127.03944	0.2
127.04967	0.3
128.02328	0.4
128.05345	0.2
131.01915	0.2
133.03372	0.3
137.02948	0.7
140.55072	0.3
142.08618	28.5
148.03813	0.6
151.48236	0.2
161.40311	0.2
169.14140	0.2
170.08162	1.6
175.04338	0.3
180.84898	0.2
183.07848	0.2
183.11292	0.6
187.00891	0.3
215.00314	0.5
220.05891	0.3
229.15446	100.0
230.15749	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	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
56.96558	1.3
57.03416	1.0
58.06594	4.2
59.07368	1.0
60.07874	0.5
60.08161	6.4
61.02907	0.9
67.05495	0.3
68.05018	0.8
69.03408	0.8
70.06590	29.7
70.91747	0.7
71.04967	0.4
71.06900	0.2
72.08152	1.1
73.02896	0.8
77.98241	0.3
79.43427	0.3
81.03414	0.4
81.04524	0.7
81.07056	0.3
84.08124	0.8
85.02899	1.4
85.06548	0.4
86.09692	0.7
95.06097	1.7
95.28048	0.3
96.08143	1.2
97.02875	0.8
98.06044	0.9
98.97573	0.9
99.04430	0.4
100.07612	0.5
109.02876	0.5
109.06387	0.2
109.45418	0.3
112.03790	0.2
114.05515	3.4
114.06644	1.5
114.09167	1.6
116.07074	2.5
116.98591	0.6
119.01918	1.3
124.07588	3.2
126.09131	0.9
127.05006	1.0
135.03064	0.6
136.99918	0.2
141.03021	0.4
142.08629	29.8
146.99591	0.3
148.03819	0.7
157.04359	0.6
161.01231	0.3
161.02756	0.3
170.08130	1.5
172.95230	0.4
175.04478	0.3
177.00592	0.4
178.03111	0.3
183.02144	0.3
183.07698	1.4
183.09630	0.5
183.11122	1.2
183.14946	0.7
199.03729	0.3
208.04204	0.4
212.12708	0.3
215.00339	0.5
219.01744	0.3
229.11801	2.6
229.15454	100.0
230.11523	0.3
230.15759	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.5
55.01871	7.1
55.02097	0.7
55.05530	2.4
56.05034	0.8
56.96587	2.2
57.03451	1.1
57.07090	1.1
58.06610	0.6
62.34570	0.5
67.05515	1.1
69.03450	1.6
69.07082	1.9
70.02976	1.5
70.06576	2.8
71.04989	3.4
71.62904	0.8
72.08157	2.5
73.02943	1.0
79.05503	1.0
79.26688	0.6
80.05033	0.9
81.03423	1.0
81.07064	1.1
82.06592	0.5
83.05006	0.6
84.04527	2.0
84.08154	2.1
85.02909	2.2
86.09704	0.9
91.05450	0.9
93.07063	1.0
94.06593	1.0
95.04986	3.3
96.05323	1.4
96.08176	0.7
97.02905	1.1
97.06540	1.2
98.06059	0.6
98.97601	1.2
99.04502	0.6
100.03993	0.6
103.05461	0.8
107.08593	0.7
108.08901	0.6
109.02877	1.2
109.06512	0.8
109.10110	0.6
110.06052	1.1
110.10478	0.5
112.05099	0.9
112.07609	2.2
116.75331	0.5
116.98625	1.3
119.04906	0.5
119.08570	0.6
121.02867	0.6
121.06491	0.8
121.10162	0.9
122.06031	19.2
122.10461	0.7
124.07581	1.0
127.03933	4.6
128.03445	0.7
133.10048	0.6
134.99670	0.8
135.04260	0.6
137.05972	0.6
138.09169	0.5
139.03943	0.6
140.07057	73.0
141.07410	0.8
146.99629	0.6
147.04376	1.6
148.04736	0.9
148.07538	0.7
150.13603	0.6
153.09143	0.7
154.09517	0.9
164.10620	0.6
167.06981	2.2
168.06534	100.0
169.06892	1.5
174.09224	0.6
177.00644	0.8
178.05774	2.0
182.09435	0.7
183.11667	0.6
185.02968	1.4
192.10110	1.2
203.04019	1.2
210.08006	0.7
210.11128	1.2
210.15631	1.0
211.14340	0.7
216.06361	0.8
228.08624	14.0
228.11961	2.6
228.15747	0.6
228.17235	1.3
228.23175	7.3
229.13222	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	228.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.7
55.01876	2.6
55.05517	2.0
56.05031	0.8
56.96569	1.8
58.06594	1.8
59.05004	2.0
65.03955	0.6
67.05493	3.6
68.05039	1.6
69.03432	1.9
69.07061	5.8
70.06585	2.2
71.04997	1.6
71.52039	1.0
71.52396	0.6
72.08151	4.7
73.02908	0.6
79.05500	3.3
80.05022	1.9
81.03421	1.1
81.07063	2.6
82.06570	2.8
83.04989	1.3
84.04498	1.2
84.08166	2.7
85.02893	1.1
86.09711	1.3
87.04453	4.7
90.44617	0.5
91.05497	2.3
93.05786	0.6
93.07044	1.8
94.06558	15.8
95.04987	3.6
95.08591	2.8
96.04495	1.4
96.07609	0.5
96.08147	2.1
97.02895	1.2
97.06525	11.6
98.06034	1.7
98.97603	1.5
99.04459	0.6
100.03983	1.2
105.06987	2.0
107.04951	0.8
107.08575	1.0
108.08148	1.5
109.02879	1.1
109.06507	2.1
109.10162	1.0
110.02372	0.7
110.06038	11.5
110.06763	0.9
111.04465	0.9
111.06845	1.6
111.08089	1.9
112.07607	3.8
113.06012	1.1
116.07101	1.5
116.98620	1.7
119.01928	0.5
119.04890	0.7
119.08597	1.6
120.04377	0.6
120.08114	0.7
121.06465	2.7
121.10084	0.7
122.06023	48.6
122.09673	0.9
123.04420	1.6
123.06819	1.2
123.08099	0.6
124.07576	6.9
125.06033	1.0
127.03912	1.5
129.06982	0.5
129.10234	1.2
130.06569	0.7
131.06897	0.6
134.09488	0.5
134.99628	0.8
135.06728	0.6
136.07578	6.4
136.11208	1.2
137.08351	2.9
138.05489	0.7
138.09126	3.6
139.03856	0.7
139.06509	0.5
139.07491	2.7
140.07054	100.0
142.08627	6.3
144.07986	0.5
146.09645	1.2
147.04379	1.5
147.08020	1.6
148.07542	1.5
149.09601	1.1
150.09155	1.1
152.07063	1.4
154.07335	1.2
154.08617	22.6
155.06943	0.8
156.10089	0.6
164.10725	3.7
165.09125	1.5
166.08635	2.0
167.07001	1.1
168.06470	5.1
172.82809	0.6
174.04210	0.5
174.09151	1.2
175.07440	0.6
175.11259	1.1
177.00754	0.7
182.07996	0.9
182.09399	0.8
182.11772	3.5
183.06473	0.6
183.11565	0.6
184.09683	1.0
185.07083	1.1
186.04361	0.6
186.07455	3.4
187.44124	0.5
192.10130	3.8
192.34087	0.5
193.08531	1.2
193.12236	2.4
196.13326	0.9
204.05435	0.6
205.98746	0.8
210.07605	1.3
210.11237	11.5
210.14687	3.5
211.14516	1.8
220.12297	0.5
228.04904	0.9
228.08752	3.8
228.12273	37.5
228.15973	3.5
228.23166	8.4
229.12514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03944	1.2
55.01878	1.4
55.05507	8.1
56.96561	1.4
57.03436	6.7
57.07076	3.9
59.04995	4.8
65.03942	1.3
67.05505	9.6
69.03423	4.2
69.07060	10.1
71.04988	16.8
72.08141	1.9
73.02914	1.8
75.04488	3.0
76.64394	1.1
79.05491	9.7
81.03432	1.7
81.07051	17.0
83.04968	7.3
83.08613	4.4
85.02896	1.2
85.06520	6.5
86.09692	6.8
91.05486	8.8
93.02699	1.0
93.07036	18.2
95.04965	100.0
95.08606	13.7
97.06528	15.9
97.10165	3.7
98.20679	2.6
98.97614	2.3
99.04451	19.4
99.08078	10.2
100.11236	6.1
103.05446	2.2
105.07019	8.0
107.04963	1.6
107.08582	21.6
107.16576	1.2
109.06519	15.6
109.10155	13.0
111.04414	1.6
111.08071	7.1
113.05975	1.3
113.09604	1.1
115.07569	4.8
116.98639	2.6
117.06979	1.4
119.01941	1.3
119.08575	7.1
121.06518	4.8
121.10142	16.1
123.04489	2.1
123.08078	5.3
123.11694	7.0
125.09634	8.5
127.07533	5.4
131.04964	1.2
131.08575	5.1
133.10120	24.0
135.08076	4.6
135.11693	3.8
137.06000	1.9
137.09586	3.3
139.07564	1.1
139.11151	6.2
140.04704	1.5
143.01903	3.0
145.10150	2.7
147.04420	3.7
147.11682	7.0
149.06010	3.9
149.09628	3.9
149.13260	9.2
151.11194	7.6
153.09103	30.6
155.07056	2.1
157.49268	1.1
158.10854	1.3
158.99725	1.5
161.02980	4.7
163.11212	1.1
163.14819	5.0
165.12793	3.2
167.07033	25.1
167.08397	1.7
167.10706	4.1
171.10197	7.6
173.13257	13.9
175.13690	1.1
177.00647	1.5
177.05464	7.3
181.04951	1.3
185.09372	1.0
191.14304	14.9
199.07570	1.1
199.18042	1.2
207.07907	1.8
207.09729	3.6
209.08099	5.3
209.11919	1.1
209.15332	23.4
227.07030	2.6
227.10780	1.7
227.16360	34.0
228.10091	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	227.1638
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03936	1.5
53.10832	1.0
55.01858	1.9
55.05505	10.3
57.03419	1.3
57.07069	2.2
57.27721	0.8
59.05000	2.6
61.50026	1.2
64.29044	0.9
67.05496	8.2
69.03424	27.4
69.07056	10.1
70.94449	3.3
71.04995	9.0
72.08144	3.0
76.71678	1.0
78.04692	1.1
79.05491	6.9
81.07052	12.4
83.04976	16.7
83.08608	6.8
85.02894	1.3
85.06545	8.8
91.05471	5.0
93.07039	15.8
95.04966	22.0
95.08602	14.2
97.06528	7.3
97.10180	5.0
99.04442	7.7
99.08089	7.1
100.11237	9.8
101.06002	1.5
103.05437	3.0
105.06987	5.2
107.04968	2.8
107.08584	22.1
109.06508	7.1
109.10138	13.0
111.04389	1.8
111.08089	5.3
113.05992	1.4
117.07053	1.4
119.04916	1.5
119.08592	4.1
121.06515	7.4
121.10137	16.5
123.04424	4.2
123.08085	3.3
123.11711	12.3
125.06013	1.7
125.09623	100.0
127.07526	2.7
131.04897	3.1
131.08543	3.8
133.02805	2.0
133.10136	11.0
135.08012	5.0
135.11676	3.2
137.05971	4.2
137.09599	2.4
137.13268	1.5
139.07550	1.4
139.11163	4.2
140.04662	1.8
143.08553	2.1
145.10136	3.5
147.04410	7.1
147.11682	4.1
149.05978	8.5
149.09621	13.6
149.13239	7.2
151.11156	15.8
152.04724	1.3
153.09109	19.0
154.09865	1.4
155.07014	2.8
159.04434	3.1
161.13345	1.3
163.11142	1.7
163.14789	6.4
165.12764	2.1
167.07033	56.5
167.10670	3.4
167.14272	3.3
168.07359	1.7
169.12207	3.3
171.10197	2.9
173.13211	5.9
177.05453	16.6
181.12195	1.5
183.13847	1.3
191.10664	2.7
191.12628	2.3
191.14288	19.0
194.05743	1.6
199.07610	1.2
209.08066	8.6
209.15320	43.7
227.07040	3.6
227.08957	1.9
227.16225	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31221	1.4
53.03936	4.7
55.01865	5.3
55.05505	23.5
56.96560	13.6
57.03427	7.2
57.07058	3.8
59.04987	5.6
61.02906	2.6
65.03931	3.6
67.05499	10.3
68.99796	1.5
69.03421	6.2
69.07066	13.5
70.06579	3.2
71.04987	21.6
71.62249	2.7
72.08147	43.6
72.24404	1.4
73.02901	7.8
73.06526	2.0
75.04460	2.0
78.04720	2.3
79.05482	12.4
79.82378	1.4
81.03387	3.4
81.07050	20.3
81.63889	1.4
83.04984	8.4
83.08611	8.1
84.08131	3.7
84.96004	3.4
85.02911	3.0
85.05276	2.2
85.06519	9.3
86.09689	3.6
89.10793	4.0
91.05469	27.3
93.03391	4.1
93.07039	27.0
95.04957	95.7
95.08585	15.8
97.02880	5.4
97.06515	21.0
97.10172	5.1
98.06043	3.4
98.97572	7.7
99.04440	13.7
99.08083	28.3
99.56593	2.2
100.11247	49.4
100.11872	3.5
101.06030	2.4
103.05450	11.6
105.07023	22.9
106.04175	4.4
107.04974	9.4
107.08589	25.2
109.02868	2.2
109.06523	17.6
109.10135	13.6
110.02389	6.1
110.97566	6.2
111.02054	2.1
111.04473	2.9
111.08079	7.3
113.09624	2.2
115.05482	4.4
115.07555	7.5
116.98604	6.8
117.06982	2.0
118.06654	1.8
119.04931	20.2
119.08569	9.0
120.58946	9.2
121.02844	3.9
121.06506	20.6
121.10132	23.1
123.04435	7.3
123.08074	5.8
123.11696	5.7
125.06033	4.0
125.09641	10.0
127.03896	3.8
127.07564	15.8
128.98595	15.9
130.03423	1.5
131.04897	6.6
131.08551	7.9
131.29652	1.6
133.06485	10.0
133.10117	28.4
134.03676	4.0
134.99654	3.5
135.04430	4.5
135.08055	5.1
135.11676	6.7
137.05998	5.3
137.09610	7.4
139.07610	2.4
139.11137	11.8
143.10669	6.8
144.98085	1.7
145.10124	5.2
146.99644	19.0
147.04393	100.0
147.11665	7.1
148.05048	13.0
149.05977	24.0
149.09627	5.3
149.13249	6.4
151.03934	3.5
151.11122	5.4
152.07034	7.2
153.05476	6.3
153.09090	31.3
155.00108	2.2
155.07060	2.6
158.99648	2.1
161.01241	4.0
161.05946	17.6
162.06471	2.3
162.99158	2.9
163.03932	1.9
163.11089	2.3
163.14796	3.7
165.12683	1.8
167.07033	46.1
167.08417	3.4
167.10651	3.2
168.07678	2.2
169.09714	4.5
170.99640	4.8
171.10158	16.9
173.01234	4.9
173.13220	11.9
177.00659	4.1
177.05472	18.4
181.04965	2.2
181.08542	4.8
182.11743	2.4
183.06512	4.0
186.12340	3.3
189.00664	2.4
191.10640	2.3
191.14290	13.9
193.08572	2.6
194.05713	17.5
195.06508	25.4
199.07594	2.4
202.12213	3.8
209.08084	66.2
209.11531	2.4
209.15067	17.5
210.08467	2.6
216.06564	3.6
218.11751	29.9
218.63306	1.9
219.12073	3.2
224.06271	2.1
226.63069	2.2
227.07068	3.5
227.08972	13.6
227.12852	2.2
227.16223	56.7
228.12288	2.9
235.14383	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	227.164
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.17601	1.2
52.08474	1.4
55.01867	2.2
55.05511	14.5
57.03427	5.4
57.07072	3.3
59.04984	5.1
67.05502	8.0
69.03421	25.3
69.07058	10.4
70.07983	6.6
71.04989	14.5
72.08152	1.8
73.02900	2.9
73.06553	2.0
75.04483	3.5
79.05492	7.1
80.73292	1.4
81.07053	14.6
83.04971	16.2
83.08624	7.0
85.06519	7.3
87.38503	1.4
91.05486	4.2
92.13955	1.5
93.07043	16.6
94.07388	1.6
94.89806	1.6
95.04964	100.0
95.08600	15.4
97.06531	17.6
97.10157	10.5
99.04467	14.7
99.08079	22.7
100.11260	8.1
105.07012	5.6
107.08586	22.3
109.06502	16.8
109.10139	9.4
111.04565	1.4
111.08086	8.0
113.06013	4.4
115.07571	3.5
119.08587	4.9
120.59038	1.5
121.06481	2.7
121.10143	23.9
123.08054	3.5
123.11651	7.5
125.09624	81.1
127.07544	6.0
127.36415	1.5
131.08557	3.4
133.10127	23.1
135.08067	4.8
135.11688	3.9
137.09607	2.6
139.07570	3.9
139.11224	7.5
143.10666	5.6
146.16498	1.5
147.04399	3.7
147.11693	6.5
149.09601	17.3
149.13301	8.1
151.11176	14.1
153.09096	46.2
154.09854	2.3
155.07056	2.3
161.03026	2.8
163.14792	9.2
165.12811	2.8
167.07076	5.3
167.10663	5.5
168.47446	1.6
171.10144	13.6
173.13239	12.8
181.04945	4.5
191.14294	20.3
209.08118	2.1
209.15327	48.7
227.16379	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.41518	0.3
50.99440	0.4
53.00296	0.4
53.03942	1.1
55.01862	0.7
55.05503	4.7
56.02642	1.1
57.03434	0.6
57.07062	0.8
60.36811	0.4
65.03931	0.6
67.05498	19.6
69.03440	0.5
69.07063	4.3
69.17442	0.4
71.04986	100.0
73.02943	0.4
79.05486	8.9
81.03435	0.4
81.07050	28.4
83.04964	2.1
83.08623	2.9
83.87460	0.4
85.02902	0.5
85.06528	2.4
91.05463	4.8
93.07035	13.9
93.07621	0.8
95.04959	3.1
95.08598	15.6
97.06524	3.9
97.10170	1.4
97.67138	0.4
98.20734	1.2
99.04453	1.3
99.08099	1.0
100.11254	1.8
105.07018	3.2
107.04950	0.8
107.08580	5.8
109.06498	2.0
109.10169	3.0
111.08087	2.3
113.06029	0.8
115.07620	0.5
117.07013	3.7
119.08600	1.5
121.06503	1.1
121.10148	2.2
123.08079	0.6
123.11723	1.0
125.09637	1.3
127.07570	1.2
131.08546	3.5
133.10115	5.1
135.08057	1.3
135.11688	9.4
137.06007	0.5
143.08623	0.6
149.06021	0.5
149.09641	0.8
149.13240	6.6
151.11191	0.6
151.26982	0.4
153.09166	0.5
157.10133	0.5
159.11662	7.0
163.11212	0.4
167.07065	4.2
167.10635	0.6
171.11668	0.6
175.14973	0.5
177.05560	1.1
177.12688	3.5
185.13374	0.6
191.14339	0.6
195.13771	2.1
199.11174	0.7
209.11859	0.6
209.15298	3.4
213.14926	0.5
215.07732	0.4
226.48659	0.5
227.07114	1.2
227.10727	1.0
227.12807	1.3
227.16411	1.1
227.18040	1.3
229.20180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03944	2.3
55.01860	2.1
55.05505	12.3
57.03429	5.0
57.07065	5.8
58.31671	1.1
59.04983	4.3
65.03922	1.4
67.05506	8.2
69.03435	7.6
69.07065	16.4
69.30503	3.4
69.30910	11.2
70.06561	1.6
71.04986	21.8
72.08134	6.0
73.02910	1.3
73.06523	2.4
75.04464	2.6
79.05489	6.1
81.07054	16.0
83.04975	9.3
83.08591	9.7
84.08122	2.5
85.02916	1.5
85.06528	9.8
86.09698	2.5
89.10787	2.2
91.05480	11.7
93.07040	22.8
95.04962	100.0
95.08589	12.3
97.02916	1.5
97.06522	19.7
97.10167	2.9
99.04455	16.1
99.08083	24.1
101.00882	1.5
103.05478	2.1
105.07040	10.0
107.04942	2.6
107.08585	22.3
109.06510	17.2
109.10154	14.2
110.02375	1.6
111.08070	6.0
111.11678	1.7
113.09624	2.1
115.07565	6.6
117.06998	1.6
119.01929	4.8
119.04939	9.1
119.08597	9.9
120.58927	2.9
121.06503	4.2
121.10131	22.3
122.06025	1.9
123.08070	5.4
123.11697	6.2
125.09655	10.3
127.07548	12.5
130.07852	1.4
131.08563	4.5
133.10115	26.3
135.08078	5.2
135.11707	6.5
137.09621	4.3
139.07535	3.0
139.11160	10.1
140.04616	1.4
140.07045	5.8
143.01907	3.8
143.10663	6.6
145.03488	1.4
145.10152	2.3
147.04396	39.4
147.11679	8.1
148.04802	5.0
149.06003	2.3
149.09628	2.3
149.13280	11.2
151.11186	5.8
152.07034	1.5
153.09090	32.4
153.12680	2.4
161.02979	6.2
162.03122	1.7
163.07510	1.8
163.14825	7.9
165.12823	2.2
167.07037	22.5
167.10754	1.7
167.14326	2.7
168.06517	7.8
171.10147	17.1
173.13264	16.2
177.05428	6.9
181.08731	1.5
191.14297	17.1
199.07622	1.5
202.12291	3.6
209.08151	4.9
209.15335	31.8
218.11752	10.2
219.14854	1.5
227.06964	2.6
227.09027	2.5
227.16425	66.6
228.08618	2.6
228.16705	1.4
235.14465	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03956	1.2
54.72902	1.0
55.01865	2.0
55.05516	5.7
57.03403	1.1
57.07058	3.2
57.40762	1.0
57.64023	0.9
59.04990	1.7
67.05489	5.8
69.03418	4.8
69.07061	16.4
69.41582	11.9
71.04972	4.1
72.08151	3.6
73.02883	1.9
79.05486	9.7
81.03399	1.3
81.07044	29.1
83.04948	2.9
83.08610	3.5
84.08112	1.2
85.02913	1.2
85.06562	1.5
87.04469	15.1
91.05457	6.2
93.07032	32.8
95.04958	11.0
95.08599	11.4
97.06497	3.9
97.10155	1.6
99.04475	1.6
99.08073	2.4
99.58936	1.2
100.11253	7.8
103.05476	1.5
105.03375	1.8
105.07031	9.6
107.04955	3.0
107.08570	8.2
109.06499	4.9
109.10089	1.4
111.08057	1.4
111.11719	5.7
119.08571	5.3
121.06550	1.8
121.10134	68.3
123.04398	1.2
123.08098	5.3
123.11697	61.5
125.09609	4.4
127.07587	1.4
131.08563	1.5
133.10123	5.3
135.08118	1.4
135.11623	1.6
139.11157	3.4
145.10103	2.0
147.04425	5.6
147.11690	9.8
149.09607	30.6
149.13185	1.5
151.11169	29.0
153.09065	2.8
155.06947	1.4
163.14809	1.4
165.12691	6.0
167.07022	15.3
167.10663	100.0
171.10277	1.3
173.13222	3.6
177.05437	2.3
181.04938	3.1
182.06334	4.7
191.14281	4.8
192.05972	1.3
209.08029	4.6
209.15115	6.8
210.05905	2.2
215.10127	2.5
218.11789	1.6
219.32314	1.0
224.34033	1.2
227.06966	2.1
227.16211	8.6
228.06837	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	227.1639
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
50.42863	0.5
50.78648	0.5
52.87874	0.5
53.03958	0.6
55.05501	1.0
56.02268	0.5
57.03226	0.5
57.03432	5.7
57.07054	1.2
59.04974	1.4
59.71917	0.5
61.85749	0.6
63.56158	0.6
67.05500	3.5
69.03414	1.6
69.07051	3.8
69.68065	4.3
71.04979	6.9
71.11572	0.6
75.04467	3.9
77.07906	0.6
79.05476	1.7
81.07052	4.2
83.04942	1.0
83.08611	1.4
85.06529	1.6
86.98754	0.6
91.05456	1.4
93.07033	4.2
95.04951	100.0
95.08596	5.3
96.05311	0.6
97.06513	15.4
97.10139	0.6
99.04439	16.3
99.08069	8.3
105.07015	2.6
107.08584	6.4
107.64909	0.6
107.78932	0.6
109.06497	12.6
109.10121	5.0
111.08083	2.0
115.07584	4.3
119.08566	3.3
119.80538	0.6
121.06594	0.6
121.10126	7.1
123.08072	0.7
123.11706	1.9
125.09612	2.5
127.07520	4.4
131.08557	2.4
133.10114	12.2
135.08052	2.4
135.11693	1.8
139.11159	5.1
147.11678	2.4
149.09541	0.6
149.13252	3.1
151.11176	2.0
152.76476	0.5
153.09081	34.7
153.12724	1.3
154.09467	0.7
154.87534	0.6
156.95676	0.5
163.14787	2.2
167.07030	2.3
171.10130	4.3
173.13239	8.0
191.14279	8.3
206.09691	1.7
206.59943	1.0
209.15324	22.7
217.83620	0.7
220.40775	0.6
227.16368	16.8
227.18454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
51.65017	1.3
53.03938	1.7
54.45705	1.3
55.01848	2.7
55.05506	19.3
56.96556	1.2
57.03435	8.0
57.07048	5.6
57.74500	1.2
59.04991	8.0
67.05216	1.3
67.05501	12.2
69.03397	5.7
69.07069	19.3
70.88353	4.1
70.96786	1.5
71.04989	24.9
72.08142	2.6
73.02895	1.5
75.04438	2.0
79.05489	13.0
79.94365	1.3
81.03383	4.4
81.07050	28.2
82.06550	3.1
83.04967	9.8
83.08623	12.1
85.06535	11.7
87.04469	8.4
91.05473	10.8
93.07043	36.0
95.04964	100.0
95.08606	20.0
97.06526	20.1
97.10134	4.1
99.04454	23.6
99.07494	1.3
99.08089	16.4
100.09408	1.4
100.11252	30.7
103.05450	1.8
105.07020	13.6
107.04918	2.5
107.08598	32.5
109.06514	16.7
109.10144	17.9
110.06021	3.3
111.04408	2.7
111.08076	6.6
111.11662	1.7
113.05949	3.7
113.09635	2.3
114.09124	2.7
115.07510	4.7
117.06957	2.7
117.13886	1.8
119.08563	10.7
121.06509	7.0
121.10138	34.2
123.04367	2.0
123.08034	6.5
123.11693	33.7
125.05992	1.9
125.09618	12.5
127.07494	8.1
131.08566	9.4
133.10130	33.9
135.08026	8.7
135.11684	12.1
137.05893	2.5
137.09581	5.6
139.07495	2.5
139.11179	12.9
140.04684	2.3
141.11417	5.4
141.12689	1.8
143.08463	2.2
143.10588	2.4
145.10039	5.6
147.04330	6.0
147.11673	8.9
148.05110	1.3
149.05957	7.5
149.09628	12.5
149.13235	13.0
151.11198	13.1
153.09096	28.2
153.12648	1.8
154.12148	2.6
155.07008	2.1
161.04950	1.3
161.13301	1.4
163.11157	2.5
163.14844	6.9
163.64351	3.7
164.39372	1.3
165.12675	5.6
167.07040	26.0
167.09322	1.4
167.10681	16.4
167.14235	2.2
171.10190	13.5
173.13240	15.6
177.05522	7.3
181.04897	2.4
181.12193	2.1
182.15343	4.7
183.06355	1.9
183.13776	4.4
191.10611	2.7
191.14275	17.4
195.02826	3.8
195.06531	2.0
199.18156	2.9
209.08109	7.8
209.11633	3.4
209.15289	27.2
213.06532	1.7
213.17749	11.1
213.31477	1.4
213.67874	4.1
215.01962	1.4
227.06912	4.7
227.16312	63.2
227.20107	2.4
244.20160	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	227.1639
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
52.13872	1.6
53.03939	3.5
55.05506	11.7
57.03422	5.8
57.07056	7.2
59.04981	7.7
67.05482	7.0
69.03410	5.9
69.07060	14.7
69.51143	12.1
69.51554	3.2
71.04985	36.0
72.08144	1.7
73.02900	1.9
79.05488	11.5
81.03397	2.1
81.07046	21.1
83.04948	6.3
83.08588	6.6
83.58321	1.7
85.06537	17.4
87.04437	3.1
89.88773	1.8
91.05476	12.0
93.07038	29.5
95.04957	100.0
95.08047	1.9
95.08596	18.3
97.06520	20.2
97.10152	7.0
99.03831	3.8
99.04440	48.0
99.08079	37.9
100.11246	4.0
100.36151	1.6
103.05470	4.1
105.07017	21.1
107.04890	2.6
107.08575	36.5
109.06512	21.5
109.10126	14.1
111.08069	10.9
113.09594	4.2
115.07554	8.5
117.07000	2.4
119.01901	2.2
119.08560	11.0
121.06470	7.8
121.09301	3.4
121.10131	43.4
123.04423	2.4
123.08040	7.9
123.11709	19.3
125.09617	17.5
127.07517	11.9
129.06993	2.1
131.04857	2.6
131.08568	11.5
133.10114	37.6
135.08035	8.6
135.11665	7.1
137.05966	2.9
137.09604	6.6
139.07623	2.7
139.11147	17.9
141.88765	1.7
143.01830	3.2
143.10658	8.9
145.10117	5.4
147.11694	12.8
148.05255	1.9
149.05939	4.1
149.09613	6.1
149.13226	16.4
151.11166	9.5
153.09084	37.6
158.10899	2.9
161.02911	6.9
163.11171	2.4
163.14761	8.7
165.12730	3.5
167.07027	32.2
167.10669	10.3
169.12202	3.0
171.10139	18.5
173.13275	21.9
174.13544	2.4
175.85950	1.7
177.05434	7.5
183.13780	7.1
191.14272	21.8
197.15356	1.9
209.08081	3.4
209.15331	21.7
220.53539	1.6
227.16380	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03950	0.6
55.01857	0.8
55.05495	4.8
57.03434	4.2
57.07073	2.1
59.04999	1.9
65.03934	0.9
67.05502	4.2
69.03421	2.6
69.07056	5.9
71.04982	14.1
71.61196	1.4
72.08147	2.4
73.06542	1.3
75.04472	2.7
79.05489	4.8
81.03397	1.5
81.07044	8.9
83.04971	3.2
83.08603	3.3
85.06532	7.9
86.09702	0.6
89.10809	0.6
91.05476	4.5
93.07032	11.8
95.04957	100.0
95.08593	7.3
97.02862	0.6
97.06518	14.7
97.10130	3.1
98.97558	1.1
99.04445	13.0
99.08081	18.3
100.11253	5.2
101.06052	0.6
103.05458	0.9
105.07027	4.3
107.04940	1.6
107.08585	11.9
109.06514	12.0
109.10133	5.9
111.08083	3.3
113.06009	0.8
113.09630	1.0
115.07542	4.4
117.05429	0.7
117.07028	0.6
119.04937	2.2
119.08564	4.3
121.06517	2.3
121.10125	11.2
123.04417	1.3
123.08144	1.2
123.11637	2.9
125.09626	7.6
127.07533	6.0
131.04933	1.1
131.08575	3.6
133.10115	20.5
135.08018	3.3
135.11668	3.6
137.05949	1.4
137.09578	1.1
139.11142	6.1
140.04616	0.8
143.08536	0.7
143.10638	5.9
145.10150	1.3
147.04407	7.2
147.11694	3.8
148.05161	1.2
149.05969	1.8
149.09573	1.9
149.13249	4.2
151.11156	2.9
153.09082	29.2
153.12570	0.6
155.06927	0.8
159.76965	0.6
163.11252	0.8
163.14787	2.2
165.12753	0.9
167.07034	8.4
167.10652	1.8
171.10138	13.9
173.13249	8.6
177.05418	2.3
181.04912	1.3
187.82729	0.7
191.10651	1.5
191.14268	8.8
194.05742	0.9
195.06482	2.3
197.44786	0.6
199.07474	0.7
209.08170	3.7
209.11589	0.6
209.15308	19.6
218.11716	2.6
226.58270	1.7
227.06894	1.4
227.16348	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
55.01828	1.5
55.05505	19.8
55.05750	0.7
55.89837	0.5
56.96519	1.7
57.03389	1.5
57.07037	1.5
59.04955	1.6
65.03901	0.7
67.05177	0.5
67.05493	6.1
69.03432	2.0
69.03735	0.6
69.07059	4.9
70.06538	1.5
71.04987	3.6
71.60909	0.7
72.08150	7.2
73.02890	0.9
73.06528	0.7
78.04672	0.5
79.05485	3.9
81.03401	1.0
81.07050	5.6
82.06557	1.0
83.04976	4.5
83.08136	0.7
83.08609	10.3
84.04472	0.7
84.08106	1.6
85.02872	1.5
85.06538	2.6
86.09694	2.9
89.10773	0.6
89.75488	0.4
91.05477	6.4
93.07044	6.3
95.04957	14.1
95.08601	6.7
96.04481	0.4
97.02865	1.1
97.06517	4.1
97.10152	1.8
98.06032	0.5
98.97575	1.3
99.04447	2.9
99.05507	0.4
99.08076	2.2
100.11245	100.0
101.05988	2.6
101.11569	0.8
103.05485	2.5
105.07032	3.9
107.04970	1.6
107.08591	7.4
109.02892	0.6
109.06535	3.4
109.10140	11.5
110.06026	1.0
111.04442	0.5
111.08067	3.2
113.05994	0.5
115.07605	1.0
116.98638	1.0
117.06994	0.9
117.13922	0.8
119.04925	5.3
119.08582	2.5
120.05293	0.7
120.59016	0.6
121.02885	0.5
121.06504	3.7
121.10128	7.3
121.80827	0.4
122.06054	0.8
123.04453	1.4
123.08047	4.4
123.11711	1.6
125.05997	1.0
125.09642	3.5
127.03893	2.3
127.07576	1.1
127.08652	0.5
131.04909	4.4
131.08595	1.9
133.10106	5.0
134.99686	1.2
135.08064	2.5
135.11714	1.9
137.05995	1.1
137.09599	3.5
139.03947	1.0
139.07594	1.0
139.08734	1.2
139.11189	1.9
140.04688	1.1
140.07074	2.0
141.09117	0.9
143.08600	0.5
143.10670	0.4
145.10170	1.6
146.06081	0.5
146.99677	1.1
147.04395	29.0
147.11754	1.6
148.04724	2.6
149.06033	1.7
149.09697	1.9
149.13226	2.0
151.07533	0.6
151.11252	1.8
152.07124	1.0
153.05510	0.8
153.09096	5.5
153.12842	0.8
155.07120	1.2
157.10091	0.5
158.99588	0.6
161.03020	0.5
161.04796	0.4
161.06049	1.3
161.13319	1.2
163.07542	0.7
163.11307	1.2
163.14864	2.3
165.12860	1.0
166.08690	0.7
167.07021	10.1
167.10719	0.4
167.14362	0.4
168.06583	1.0
169.09848	1.1
171.08006	0.6
171.10265	1.6
173.09837	0.6
173.13249	3.5
177.00731	0.5
177.05484	2.8
179.14299	4.5
181.05042	1.7
181.06593	0.4
181.10170	0.9
181.15968	0.4
183.06673	1.1
185.03035	0.6
191.10786	0.7
191.14305	4.1
194.05878	0.5
195.06561	0.9
197.15535	1.9
199.07669	0.7
201.00859	1.3
202.12270	2.8
209.08063	3.5
209.10071	0.6
209.12157	0.5
209.16721	16.3
215.57439	0.5
218.11729	7.7
218.63554	0.9
219.12279	1.2
219.15125	0.8
227.07231	2.4
227.10860	2.5
227.12990	1.0
227.17757	28.0
228.12566	0.6
228.18044	0.5
235.14340	2.1
236.15340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	2.4
55.01858	7.1
55.05508	20.9
55.69408	1.3
57.03415	5.0
57.07061	3.3
65.03955	1.6
67.05493	18.3
67.05830	2.5
68.74554	1.2
69.03416	4.7
69.07066	17.8
70.06835	2.2
70.07224	4.0
71.04990	7.2
73.02893	5.3
79.05486	30.8
81.03389	5.3
81.07051	32.1
83.04974	8.7
83.08200	1.4
83.08617	16.8
85.02879	3.3
85.06524	6.3
87.04443	1.7
91.05470	16.1
93.07040	40.8
95.04966	21.7
95.08598	48.7
97.02861	4.3
97.06535	10.6
97.10124	5.9
99.04459	11.4
99.08067	3.4
100.11256	11.5
103.05447	3.7
105.07032	10.6
107.04943	13.8
107.08583	35.1
109.06509	3.4
109.10129	9.2
111.04445	3.4
111.08051	4.4
111.11685	2.4
113.05956	2.3
115.05398	2.4
117.07011	10.2
119.04855	1.8
119.08575	10.0
121.06493	14.6
121.10128	18.4
123.04382	4.7
123.08033	3.0
123.11662	5.0
124.05144	2.0
125.05922	4.0
125.09596	5.6
127.07575	1.9
127.17986	1.4
128.06165	1.7
129.06985	2.7
130.07759	2.0
131.04904	3.1
131.08569	3.1
133.02802	1.4
133.10098	6.4
134.03595	1.5
135.08020	5.3
135.10681	2.8
135.11690	50.7
137.05919	6.3
139.07483	3.2
139.11168	2.3
140.04630	4.6
143.08514	4.7
145.10112	29.4
147.04347	4.1
147.11589	1.6
148.05182	2.1
149.05946	8.0
149.09615	3.8
151.11156	1.9
153.06985	2.7
153.09071	5.6
153.12738	2.5
155.06941	6.6
155.08366	2.1
157.10127	2.3
159.04327	2.6
163.11169	70.8
163.14699	1.9
166.07756	1.6
167.07033	75.3
167.08397	2.7
167.10670	4.2
169.08592	1.7
171.07973	2.4
171.11644	3.5
173.13248	3.8
177.05508	21.1
181.04951	3.3
181.08588	1.9
181.10112	3.8
181.12218	19.6
183.06613	1.5
183.11555	1.9
183.56499	4.1
185.09560	2.2
185.13190	2.6
191.10674	1.7
191.14258	3.7
195.08119	1.8
197.05949	1.7
198.38597	1.7
199.07420	2.5
199.11176	1.9
209.08289	7.7
209.11604	3.6
209.13483	1.7
209.15318	5.9
212.08383	2.1
227.07092	10.3
227.10661	10.3
227.12714	100.0
227.16245	3.9
227.18155	8.5
228.12924	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.97866	0.8
53.03928	1.3
55.01852	2.6
55.05508	6.9
56.96539	0.9
57.03423	2.8
57.07079	6.2
65.03918	2.4
67.05167	1.5
67.05500	24.1
69.03415	2.8
69.07063	8.3
69.40845	2.0
69.41239	8.4
70.06612	0.9
71.04990	21.7
72.08139	2.9
73.02905	1.0
77.03930	1.2
79.05064	1.3
79.05492	21.5
81.03398	2.1
81.07050	9.3
83.04980	8.8
83.08604	2.7
85.06538	100.0
86.09683	1.9
87.04446	1.3
91.05471	17.6
93.07033	25.3
95.04964	14.6
95.08601	7.4
97.06525	10.1
97.10138	1.5
99.04439	7.1
99.08080	6.5
100.11246	11.6
101.05980	1.0
103.05447	2.8
105.04435	1.0
105.07017	19.5
107.04946	13.5
107.05624	1.5
107.08589	31.4
109.02870	1.1
109.06501	6.2
109.10157	6.2
111.04449	11.3
111.08045	1.9
111.11666	0.9
115.05464	1.3
115.07587	1.1
117.07028	6.6
119.04905	1.8
119.08569	17.7
121.06496	15.3
121.10137	24.0
123.04414	3.9
123.08060	4.4
123.11684	3.4
125.05991	7.5
125.09626	3.8
127.07573	1.1
129.07014	6.2
129.54903	0.8
130.07832	1.2
131.04942	1.7
131.08559	57.6
133.10146	7.6
135.04376	1.0
135.08022	3.6
135.11687	7.5
137.05949	2.5
137.09595	8.0
137.13210	1.1
139.07507	3.0
139.11160	2.5
140.04727	1.4
141.05396	1.4
143.07011	2.1
143.08519	1.3
145.06445	1.2
145.09027	1.5
145.10117	24.0
147.04401	7.4
147.08028	5.3
147.11679	2.4
149.05991	6.3
149.09610	59.0
149.13223	3.9
150.10014	1.1
151.03902	1.0
151.11134	3.7
153.05424	2.9
153.09073	3.6
155.06993	4.8
155.08453	1.8
159.15031	1.2
161.02982	1.0
163.11160	22.9
163.14801	2.4
163.73221	0.9
163.74634	1.0
165.05463	1.9
165.09114	10.7
167.07037	21.9
167.10669	32.3
167.12083	1.8
168.07309	1.4
169.07526	1.1
171.04407	1.3
171.08081	1.1
171.10222	1.1
173.09654	6.4
173.13252	4.9
177.05440	5.2
179.10681	1.5
181.04907	4.0
181.10071	2.0
181.12123	0.8
183.13756	0.9
185.09613	0.9
191.10660	57.3
191.14282	3.7
192.10954	1.0
194.05667	1.2
195.06480	1.3
197.11673	1.6
199.07425	1.4
209.08395	6.5
209.11717	61.5
209.15256	4.7
218.11674	1.2
227.06926	3.6
227.09003	2.0
227.10780	1.5
227.12740	33.3
227.16399	7.8
227.19742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.86795	1.0
53.03951	3.4
53.34690	1.2
55.01860	3.3
55.05509	14.2
57.03426	2.6
57.07067	6.1
57.50175	1.2
59.04989	1.5
65.03944	1.7
67.05502	28.6
69.03427	3.6
69.07062	9.6
71.02760	1.6
71.03107	2.6
71.04987	22.2
71.08603	1.1
72.08150	12.3
73.02900	1.7
79.05486	27.4
81.03377	1.5
81.07047	12.7
83.04978	9.2
83.08614	4.5
85.02869	1.3
85.06538	100.0
86.09693	4.2
87.04478	1.6
91.05480	19.7
93.07038	27.5
95.04968	24.8
95.08601	7.9
96.97568	1.1
97.06530	8.6
97.10180	1.8
99.04469	5.0
99.08088	7.8
100.11256	15.2
100.65987	1.2
103.05454	3.3
105.07020	20.7
107.04957	15.0
107.08594	29.9
109.06515	9.3
109.10140	5.3
110.02409	3.3
111.04417	14.3
111.08083	3.5
113.05960	1.2
114.31023	1.3
116.98622	1.2
117.07022	6.6
119.04929	3.3
119.08586	16.1
120.58920	1.9
121.06499	20.3
121.10123	23.2
123.04459	5.7
123.08085	4.7
123.11710	5.0
125.06004	6.6
125.09663	5.3
127.03893	1.4
127.07507	1.7
129.06999	6.5
130.07759	2.5
131.04955	2.6
131.08560	63.3
133.10133	4.9
135.04399	1.9
135.08031	3.3
135.11717	7.7
137.05986	3.8
137.09628	9.2
139.07555	2.9
139.11249	2.5
140.04691	2.3
141.05453	2.2
143.07004	1.6
143.08583	2.3
145.06487	3.0
145.10110	29.5
147.04401	15.0
147.08020	7.5
147.11681	3.5
148.05180	3.5
149.06000	9.6
149.09612	63.3
149.13243	4.0
151.11218	4.2
152.07076	3.3
153.05473	3.9
153.06976	1.1
153.09076	6.3
155.07042	4.2
155.08536	1.6
161.02893	1.3
163.07536	3.8
163.11165	22.3
163.14815	2.0
165.09074	11.5
165.12778	1.3
167.07059	27.4
167.08473	1.7
167.10667	37.2
167.12068	1.8
171.10173	3.1
173.09581	9.0
173.13268	4.4
174.13641	1.1
176.04807	1.2
177.05473	9.5
181.04973	4.7
183.06598	1.8
191.10663	56.8
191.14297	5.3
194.05638	5.6
194.10918	1.2
195.06468	7.5
197.11720	2.7
199.07556	2.2
199.14804	1.3
202.12183	1.6
209.08191	13.9
209.11714	61.5
209.15379	7.3
218.11684	5.6
227.06944	3.9
227.09106	3.2
227.10791	1.7
227.12721	28.6
227.16370	6.7
227.17905	3.1
228.06569	1.6
228.10211	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.31074	0.8
55.01873	1.0
55.05507	5.4
55.72361	0.9
56.96550	1.6
57.03432	1.7
57.07064	2.9
59.04990	2.7
67.05496	9.3
68.23247	0.8
69.03414	4.3
69.07054	5.2
70.06574	1.0
71.04990	5.3
71.37666	1.1
71.38010	1.4
79.05486	5.7
81.03399	1.7
81.07047	9.6
83.04976	19.3
83.08617	3.1
85.02901	3.6
85.06544	5.3
91.05472	7.3
93.07044	7.3
95.04969	8.2
95.08601	15.6
97.02872	1.3
97.06519	5.4
97.10148	1.2
98.97566	3.9
99.04457	7.3
99.08099	6.9
101.06021	1.6
105.03375	0.9
105.07023	8.6
106.74712	0.9
107.04955	2.1
107.07862	1.0
107.08590	16.3
109.06509	23.3
109.10123	6.0
111.04436	9.3
111.08067	2.6
113.09647	0.8
116.98621	4.4
117.06992	1.0
119.04947	5.6
119.08560	6.7
121.06530	3.9
121.10134	15.6
122.07174	1.0
123.08058	100.0
123.11689	4.9
125.05987	3.9
125.09635	4.5
127.07538	2.8
130.07800	1.0
131.08582	2.3
133.06467	1.2
133.10136	5.1
134.99646	1.3
135.08067	2.5
135.11723	2.4
137.05966	1.6
137.09618	8.4
137.13219	2.1
139.11189	1.6
141.09113	1.0
145.10078	5.9
147.04404	3.5
147.08066	2.1
147.11652	5.2
149.09608	10.3
151.07544	3.6
151.11172	12.1
158.99634	2.8
159.11751	1.0
161.09573	1.1
161.13234	3.6
163.11200	10.9
165.05510	1.2
165.09087	1.5
165.12756	4.2
167.10678	8.8
169.08551	3.1
171.11731	1.2
175.03879	5.2
177.00682	3.3
179.06992	0.9
179.14249	1.7
181.08574	1.6
181.12227	3.9
182.08405	0.8
183.13731	2.0
189.12689	5.3
192.04128	2.3
193.04962	1.1
195.10112	1.5
203.60771	0.8
205.07993	2.1
207.06528	7.5
207.13791	15.9
214.08476	3.0
225.14796	15.6
225.59476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0813
Annotation	Harman-3-carboxylic acid
Peak:m/z	Relative Intensity
52.37650	0.9
53.03934	1.4
55.01857	1.3
55.05498	7.5
56.28117	1.0
56.96547	2.7
57.03420	1.3
57.07066	2.0
65.03922	1.4
67.05489	2.8
69.07051	6.0
70.06567	2.0
70.96100	3.0
71.04978	2.5
71.08616	1.2
72.08150	9.5
79.05482	3.6
81.03400	1.3
81.07049	3.5
83.04951	1.8
83.08612	3.5
84.08128	1.8
84.08986	1.0
86.09710	1.0
89.98461	1.0
91.05471	6.2
93.07016	4.4
95.04945	8.1
95.08600	2.8
96.00596	2.7
97.02876	1.5
97.06520	2.5
97.10143	3.0
98.06068	1.2
98.07129	0.9
99.04482	1.7
99.08081	1.7
103.05455	1.1
105.07016	3.0
106.24794	0.9
107.04919	1.7
107.08585	4.6
109.06519	1.1
109.10134	1.4
110.02348	1.6
111.04414	1.4
111.08034	1.5
111.11793	0.9
115.05435	1.7
117.05746	36.9
117.07022	1.4
119.04924	7.6
119.08556	1.3
120.05285	1.1
120.58905	1.5
121.06525	2.4
121.10141	3.9
123.04417	1.1
125.05932	1.1
125.09615	2.2
128.98618	2.1
129.07011	4.4
130.06512	42.6
131.04907	1.4
133.10129	2.7
135.08061	1.6
135.11688	2.2
137.11801	0.9
139.07706	1.0
140.07013	1.0
141.05696	1.8
142.06485	1.9
143.07303	20.9
143.08418	1.9
147.04390	33.5
147.11678	1.1
148.04756	2.1
148.07585	2.9
149.05971	1.8
149.06999	1.1
149.13255	1.3
152.07047	2.5
153.09052	2.1
154.06487	12.6
155.07053	2.5
156.08058	15.9
157.06345	1.2
157.07585	15.4
158.05959	9.3
166.06425	1.5
167.07059	8.1
168.06667	1.6
169.05197	6.2
169.09766	2.3
177.05458	3.1
181.04991	2.1
181.07547	9.1
181.10077	1.3
182.05872	7.3
182.08389	4.3
183.09146	12.0
185.07080	100.0
186.12396	1.4
187.06250	1.5
191.14291	1.8
199.08757	1.8
200.07037	3.0
209.06815	6.8
209.15326	3.6
210.05283	1.8
218.11714	10.3
219.12152	1.4
227.08115	58.4
227.10374	2.8
227.13748	2.0
235.14432	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.45533	1.4
54.46492	1.4
55.01878	1.6
55.05503	8.4
57.07064	3.0
59.04989	7.8
59.37178	1.3
63.51353	1.4
65.03936	1.3
67.05498	22.2
68.97189	1.2
69.03410	4.2
69.07054	4.2
69.64960	11.4
71.04970	3.9
71.89532	1.3
73.90119	1.3
75.03476	1.3
79.05489	5.2
81.07061	7.4
83.04977	6.5
83.08616	1.9
85.02863	2.8
85.06536	8.4
91.05474	11.0
93.07031	9.2
95.04969	5.2
95.08598	100.0
97.06508	4.4
97.10156	2.9
99.04436	2.7
99.08081	1.7
101.05995	3.5
103.50329	1.4
105.07040	7.2
107.08594	13.9
109.06507	8.2
109.10148	6.5
111.08048	3.0
113.06025	7.5
118.99866	1.3
119.01926	2.4
119.04954	8.4
119.08577	13.6
121.06496	4.1
121.10123	10.3
123.08053	45.2
123.11681	4.5
129.05466	1.8
131.08559	1.6
133.06538	1.5
133.10129	3.1
133.21655	1.7
135.11674	11.7
137.09615	7.8
137.13243	2.0
141.09076	8.4
143.01851	1.5
145.10162	2.3
147.04391	6.3
147.08025	3.3
147.11684	9.2
149.09599	18.7
151.07520	3.7
151.11143	5.9
151.14789	3.0
159.11778	1.5
161.02948	5.4
161.08075	1.5
161.13289	8.1
163.11143	7.1
165.05542	1.8
165.09146	2.5
165.12733	4.4
167.07053	3.1
167.10674	1.9
171.11617	1.8
174.10408	2.8
175.03879	11.9
179.14296	5.7
181.12097	2.0
185.04631	1.5
189.12726	11.4
192.04169	2.6
193.04901	1.8
207.06516	16.3
207.13756	18.7
225.07445	1.9
225.14821	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	225.1482
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.67241	0.8
54.01622	0.7
55.01872	1.1
55.05502	2.5
57.03435	1.8
57.07057	2.4
58.79514	0.7
59.04982	1.0
67.05502	5.9
69.03426	2.0
69.07063	2.7
70.56940	3.1
71.04980	3.3
73.63579	0.7
79.05488	2.6
79.90083	0.8
81.07050	18.6
83.04980	3.5
83.08613	1.3
85.02897	100.0
85.06525	1.3
91.05470	15.2
93.07018	3.9
95.04996	3.7
95.08589	8.3
97.06535	2.0
99.04420	5.7
103.05490	1.0
105.07033	4.6
106.04868	0.7
107.08585	7.4
107.90461	0.7
109.06514	5.1
109.10146	12.5
109.41360	0.7
111.04435	1.0
119.04935	14.0
119.08563	5.1
121.06506	1.2
121.10124	10.8
123.04443	0.9
123.08067	6.2
123.11694	79.0
125.05974	8.3
125.09644	2.0
130.36699	0.8
131.08572	2.3
132.02074	1.0
133.10139	2.2
135.08080	0.8
136.05139	0.9
137.05962	1.0
137.09621	2.6
137.13202	0.9
139.07567	1.4
139.11163	1.3
141.05481	1.3
143.01913	0.9
143.08566	0.8
145.09048	0.8
145.10027	3.5
147.04388	11.8
147.08060	1.4
147.11687	3.4
149.02319	1.5
149.09608	10.4
151.07536	4.2
151.11211	0.9
157.03990	1.8
161.02950	2.5
161.13210	3.6
163.03850	0.8
163.11183	3.1
164.04709	1.1
165.05449	1.0
165.12740	2.4
167.10707	2.3
169.08636	1.3
171.11720	1.1
175.03880	19.9
176.04272	1.0
179.07057	1.8
179.14351	1.8
181.12247	1.4
183.13901	1.0
189.12718	9.6
192.04137	6.8
193.04956	1.0
207.06500	34.8
207.13788	28.8
208.06889	1.2
225.07404	1.4
225.09305	1.5
225.11244	1.0
225.14780	13.4
225.19595	0.9
226.07649	0.9
226.09789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58609	1.5
65.65806	1.8
66.19252	1.5
68.98448	1.6
69.91549	10.0
70.15357	1.5
84.49194	1.6
101.00861	13.4
119.01915	100.0
120.01978	3.3
124.02407	2.2
137.02943	47.1
142.03482	56.3
143.03665	2.5
160.04541	23.9
161.02934	13.9
165.05168	1.8
177.00934	23.2
178.01067	5.0
179.00569	2.3
179.04016	33.2
181.49094	2.4
183.06120	1.9
184.04558	3.7
187.99223	4.3
190.49550	4.5
191.86465	1.5
199.50067	32.2
200.00130	14.3
200.49951	4.4
202.00423	3.7
202.05623	5.4
211.00824	10.7
211.50925	4.5
212.00743	2.4
219.01978	16.9
220.02107	2.9
232.36951	1.7
232.96342	1.7
238.95425	4.0
239.59509	1.6
243.02008	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.29570	0.7
55.01865	1.2
55.05488	2.5
57.07050	1.4
65.03928	2.4
67.05484	2.6
69.03416	1.8
69.07041	2.2
70.57213	1.1
70.57581	1.3
71.04967	2.1
75.15729	0.6
77.03931	0.7
78.79092	0.6
79.05472	2.5
80.71722	0.6
81.03402	4.9
81.07063	4.2
83.04951	3.3
83.08597	1.7
85.02895	0.8
88.22375	0.6
89.03895	1.5
91.05471	40.9
93.07036	2.7
95.04959	4.8
95.08591	4.4
97.02872	0.9
97.06496	1.2
97.10162	0.6
99.04445	2.3
103.05446	1.5
105.03376	2.5
105.07012	2.4
107.04943	2.8
107.08561	2.4
109.06495	2.4
109.10130	1.8
111.04456	1.0
118.04166	4.3
119.04929	47.4
119.08553	2.1
121.02879	0.8
121.10119	2.1
123.04416	1.2
123.08064	2.7
123.11660	2.1
126.97376	0.6
129.03363	0.8
131.08504	0.8
132.02057	3.0
133.02831	1.0
133.10120	1.6
135.04382	2.6
136.05165	1.8
137.05981	1.6
137.09573	0.8
145.02829	1.2
146.03569	1.5
147.04390	40.2
147.11685	1.5
148.04837	0.7
149.02327	5.7
149.09616	1.6
151.07542	0.8
151.11107	1.2
153.05450	1.1
157.03931	2.8
161.13237	0.9
162.03133	0.9
163.03882	2.1
163.11195	0.8
164.04674	5.4
167.06958	1.5
167.10678	1.1
174.03105	1.4
175.03886	71.3
175.11166	0.8
176.04272	0.9
177.01833	2.9
179.07072	4.7
180.04149	1.4
181.08562	1.3
183.06508	1.4
183.13802	0.8
189.12697	0.7
189.16382	0.7
192.04161	19.9
193.04922	0.9
193.12257	2.6
207.06505	100.0
207.13770	2.3
208.06783	1.3
225.05391	1.8
225.07372	1.3
225.09190	1.6
225.14667	5.0
238.28738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0915
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
52.51295	0.3
53.03938	0.4
54.00858	0.3
55.01877	0.3
55.05502	0.8
55.76548	0.3
56.05025	0.6
56.96554	1.8
57.03449	0.4
60.04516	0.5
65.03941	0.4
67.05520	0.5
68.05029	0.3
69.03438	0.9
70.06586	1.1
71.04994	1.8
71.61063	0.4
71.74690	0.3
72.08149	1.3
73.02914	1.0
76.04004	0.3
79.05498	2.3
81.03426	0.4
81.04543	0.3
81.07073	0.5
84.04517	0.4
84.08121	1.6
85.02903	0.7
86.09692	0.5
88.03995	0.6
91.05460	3.6
93.07051	0.8
95.04956	0.7
97.02886	1.1
98.06038	0.7
98.97585	1.1
99.04459	0.5
103.05453	5.1
105.07028	19.0
106.07304	0.6
107.04944	2.6
109.02875	0.5
109.06551	0.7
110.02421	1.0
110.06013	0.4
111.04428	2.3
115.05463	3.0
116.05858	0.4
116.98611	1.4
117.05755	5.2
117.07053	0.5
118.06564	0.8
119.01865	0.4
119.04957	1.2
119.07368	3.0
120.08171	1.7
121.02836	0.7
121.06473	0.6
121.10139	0.7
123.04399	0.4
123.08077	0.5
127.03925	0.4
130.06514	5.1
131.04939	2.6
132.08083	97.2
133.02878	0.5
133.06465	1.0
133.08441	1.5
134.99669	1.3
136.07562	1.1
136.08575	0.3
136.47473	0.3
137.06052	0.4
138.05510	0.8
138.09132	0.4
140.07059	0.7
147.04376	1.0
147.11725	0.4
149.05981	0.9
150.02670	0.4
150.05457	0.5
150.09126	1.5
151.03915	0.3
152.07019	0.4
153.04024	0.4
154.05008	0.5
159.09196	0.5
160.07549	1.6
160.09494	3.0
161.05980	1.1
164.07056	0.7
165.05469	0.5
168.10126	0.4
177.00688	0.8
177.07555	0.5
178.08624	100.0
179.08955	0.9
182.08089	0.7
185.04684	0.5
194.07080	0.4
201.07245	0.4
206.04701	0.4
206.08078	2.1
206.10086	0.9
207.06474	0.4
207.08388	0.3
219.01678	0.7
224.06944	1.1
224.09146	11.7
224.10976	0.9
224.12950	1.8
224.16742	0.5
226.04294	1.9
228.02173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.169
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
51.57911	0.5
53.03941	2.9
55.01870	2.4
55.05511	10.9
56.96547	0.8
57.03430	1.6
57.07073	2.4
59.04996	0.6
65.03941	1.8
67.05501	40.0
69.03424	2.5
69.07063	8.1
69.80334	0.5
71.04989	2.1
71.61584	0.9
78.21163	0.6
79.05488	20.0
81.03419	9.0
81.07050	100.0
82.07363	0.8
83.04977	5.8
83.08605	4.4
83.58897	0.5
85.02891	3.2
85.06532	2.6
87.04428	0.7
91.05470	10.1
93.07041	19.0
94.04189	2.2
95.04964	14.8
95.08599	96.0
96.08875	0.6
97.02892	0.6
97.06532	3.7
97.10174	0.8
99.04469	1.1
99.08084	1.2
105.07023	7.0
105.07667	0.7
107.04954	6.5
107.08586	15.3
107.09294	1.2
109.06503	3.7
109.10147	24.3
109.80314	0.6
109.92346	0.5
111.04443	1.5
111.08091	3.4
113.09634	0.8
115.05447	0.7
117.06996	5.6
119.08570	5.1
121.02896	1.1
121.06507	4.8
121.10136	11.4
123.04368	0.9
123.08067	6.3
123.11690	3.6
125.05940	1.5
125.09649	2.5
127.07560	1.7
128.03938	0.6
129.06958	1.7
131.08554	8.0
133.06465	0.9
133.10100	3.0
135.04393	0.6
135.08037	3.0
135.11678	4.7
137.05954	1.9
137.09622	1.8
139.07547	2.1
141.06938	1.0
141.09087	0.9
145.06506	1.9
145.10100	7.5
147.07980	0.9
147.11743	1.2
149.02327	11.4
149.06000	0.9
149.09581	3.4
149.13240	1.9
151.11134	0.8
153.05432	0.7
153.09178	1.2
159.11679	6.2
161.09618	0.7
161.13249	2.3
162.03122	0.7
163.03944	1.4
163.07550	1.3
163.11148	5.6
163.14842	4.3
165.06999	0.7
165.09100	1.6
167.07043	1.6
167.10649	2.0
169.10091	1.0
177.05478	1.0
177.12775	5.2
177.16345	1.4
181.08601	4.9
181.10013	1.2
181.12257	1.7
187.11192	2.7
187.14851	8.9
190.02609	1.4
193.10147	0.9
193.23596	0.6
205.12228	9.5
205.15863	4.2
208.03716	0.7
223.02373	0.9
223.05960	5.4
223.13269	64.2
223.16713	17.8
223.20512	1.8
224.06505	0.6
224.13562	1.0
225.04285	1.7
227.02089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13037	0.5
53.03956	0.7
55.05503	1.5
56.05038	0.7
56.96569	2.8
57.03436	0.6
59.05009	0.6
59.06100	0.5
60.04513	1.3
60.99390	0.6
67.05495	1.3
69.03439	1.4
69.07069	2.6
70.06588	2.1
71.04983	1.3
71.52879	1.0
72.08145	2.0
73.02906	0.8
79.05493	2.2
81.07035	0.9
82.52446	0.5
83.04987	0.8
83.06094	1.0
84.04492	0.8
84.08135	2.0
85.02899	1.6
86.06104	0.7
86.09729	0.6
88.03994	0.8
91.05468	3.7
93.07047	1.1
94.06546	0.9
95.04961	1.9
95.06065	0.9
95.08624	0.9
97.02863	1.2
97.06505	0.5
97.52959	0.6
98.02362	0.5
98.06037	0.5
98.09661	0.7
98.97580	2.2
103.05453	6.3
105.07023	18.8
106.07384	0.5
107.04964	2.4
107.08602	0.8
109.07672	0.8
110.06037	1.2
111.04437	2.4
115.05460	1.8
116.98602	1.9
117.05740	5.6
119.01894	0.7
119.04945	1.8
119.07350	3.1
120.08092	1.7
121.06496	1.4
121.10205	0.8
122.06061	0.6
123.04485	0.7
123.08078	0.6
124.08486	0.6
128.98558	0.6
130.06554	3.8
131.04935	2.3
132.08081	92.6
133.06491	0.9
133.08464	1.0
134.05972	0.7
134.99651	2.2
136.07542	4.4
138.05435	1.0
139.09766	0.6
147.04417	2.0
149.06108	0.6
150.02696	1.3
150.09126	2.3
152.07025	0.7
160.07634	1.3
160.09494	1.0
161.03030	0.7
161.05984	0.8
164.07079	0.8
165.05446	1.3
166.07333	0.5
177.00664	1.3
178.08621	100.0
179.07095	0.9
179.09000	1.0
180.03944	0.6
182.08130	0.8
200.61871	0.5
201.00760	0.7
201.04213	0.6
201.55197	0.6
206.08110	2.6
206.09981	1.0
224.03024	0.6
224.06999	0.9
224.09132	11.4
224.10889	1.0
224.12595	3.0
224.14789	0.8
226.04236	3.1
228.02094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1691
Annotation	Rishitin
Peak:m/z	Relative Intensity
55.05504	1.5
57.07059	2.1
66.93566	0.8
67.05493	1.7
69.03427	1.4
69.07040	3.4
69.64143	3.3
69.64573	2.9
71.04960	1.3
74.45444	0.9
78.46323	0.7
79.05470	2.4
81.07041	4.3
83.04970	1.8
83.08591	2.3
85.06528	1.3
91.05484	2.4
93.07032	10.7
95.04982	1.2
95.08606	5.6
97.06502	1.7
99.08079	5.5
105.07010	2.8
107.04925	0.9
107.08594	11.0
109.06472	0.9
109.10152	2.6
111.08070	1.5
113.79890	0.7
117.07019	0.7
119.08575	7.4
121.06478	1.3
121.09311	1.5
121.10137	21.1
123.08043	1.0
125.09586	1.2
131.04918	0.8
131.08499	1.9
133.10118	4.6
135.08020	2.0
135.11667	8.7
137.09491	0.9
139.07544	1.2
139.11172	1.0
145.10141	5.6
147.11679	3.8
149.02325	7.8
149.09593	1.8
149.13243	1.9
159.11671	1.7
161.13232	1.8
161.72792	0.8
163.11180	7.7
163.14812	3.9
167.07013	0.9
168.73396	0.9
177.05513	1.0
177.12807	3.7
177.16409	5.9
187.11241	1.1
187.14806	9.9
205.12204	1.7
205.15875	7.7
223.05923	4.3
223.13318	2.6
223.16914	100.0
223.20538	3.7
224.17160	1.7
225.04257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37512	0.3
56.96569	0.3
58.77641	0.3
69.30019	0.3
70.27415	0.6
70.27809	0.7
72.04507	28.6
78.04720	0.6
82.66031	0.3
89.03897	5.9
91.05464	0.4
93.07037	0.4
95.04961	0.4
98.97579	0.3
106.04182	0.7
107.04935	2.4
116.98642	0.4
117.03364	25.4
119.04957	0.4
124.05187	0.4
134.03604	2.3
135.04407	2.9
137.05966	1.6
137.43704	0.3
145.02824	59.3
146.03207	0.5
149.02295	0.3
149.05971	7.8
158.06078	0.3
158.33034	0.3
162.03123	3.7
163.03896	4.3
167.07106	0.4
176.17569	0.3
177.05444	100.0
178.05762	0.7
179.03319	0.6
180.66577	0.3
186.05513	1.7
190.02571	3.8
191.03394	0.4
193.01318	0.5
205.05061	0.4
206.07985	0.4
207.02852	1.8
208.03589	2.3
222.11217	43.9
223.05977	23.0
244.15300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1123
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
52.38507	0.3
53.03973	0.3
62.23374	0.3
63.02361	0.4
69.75140	1.7
72.04510	28.7
78.04696	0.3
79.05462	0.4
81.07017	0.4
81.60873	0.3
89.03902	5.0
91.05480	0.7
92.78001	0.4
93.07017	0.5
98.21464	0.6
98.97577	0.6
105.06992	0.4
106.04128	0.4
107.08585	0.5
111.91044	0.3
116.98566	0.5
117.03368	21.0
118.56899	0.3
119.04922	0.4
119.08607	0.3
121.06528	0.5
131.04892	0.5
134.03629	2.0
134.99666	0.7
135.04416	1.8
137.05988	1.3
145.02831	62.2
147.00955	0.3
149.05971	7.9
158.01166	0.3
162.03079	1.0
163.03879	2.3
167.15985	0.3
176.66927	0.3
177.05452	100.0
178.05786	1.4
180.10269	0.4
186.05476	2.2
208.75804	0.3
222.11234	45.9
223.05959	0.6
223.11520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03936	0.3
55.05512	0.5
57.07048	0.4
57.09374	0.2
59.04998	0.3
60.44621	0.2
65.03946	0.3
67.05488	0.7
69.03412	0.3
69.07062	0.5
69.54694	0.9
69.55123	0.9
70.36374	0.2
71.04976	0.3
72.04176	0.2
72.04516	2.2
73.04850	0.5
78.04691	1.8
79.05489	1.6
81.03463	0.4
81.07039	1.0
83.04967	0.8
89.03929	0.6
90.04227	0.3
91.05429	1.1
93.07027	0.8
95.04948	1.0
95.08594	0.9
97.02904	0.4
105.03374	0.7
105.07000	0.4
106.04176	2.0
107.04946	13.2
107.08592	1.3
109.06533	0.3
109.10158	0.5
111.08057	0.8
117.03355	1.0
117.07009	0.2
118.03642	1.9
119.04946	0.3
119.08580	0.7
121.06496	0.7
121.10155	0.6
123.04392	0.4
123.08036	0.9
133.02815	0.5
133.10066	0.5
134.03632	3.5
135.04425	4.6
135.08018	0.5
135.11646	0.5
136.04787	0.3
137.02361	0.3
137.05907	0.3
137.09586	0.7
139.07503	0.5
145.02824	1.8
145.03969	0.7
145.06439	0.3
145.10071	0.4
146.03172	5.0
149.02301	1.7
149.05952	0.8
149.13177	0.3
150.06316	0.5
151.03848	0.4
152.04681	0.4
157.12990	0.2
159.11705	0.5
161.02318	0.7
161.05927	0.2
161.09547	0.3
162.03111	19.3
163.03897	9.2
163.11176	1.0
164.04358	0.3
165.01796	0.7
165.09074	0.5
167.07025	1.4
177.05466	2.5
177.12759	0.5
178.02589	0.5
178.05800	7.8
179.03377	4.9
180.04140	1.6
181.12135	0.2
187.11261	0.3
190.02602	20.4
191.03276	0.9
193.01292	2.0
194.02126	1.7
195.06487	1.7
201.72668	0.2
205.01321	0.6
205.04945	4.1
205.08714	0.3
205.12233	1.0
205.15851	0.6
207.02861	8.8
208.03650	14.8
223.05991	100.0
223.11372	4.1
223.13307	1.1
223.16924	0.7
224.06311	2.5
225.04303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0972
Annotation	N-Acetyl-L-altrosamine
Peak:m/z	Relative Intensity
55.01844	3.2
55.05504	1.8
56.05033	6.2
56.96569	13.2
57.03432	17.1
58.06592	2.0
58.99860	1.1
60.04520	12.0
61.02641	1.9
61.02925	27.8
68.05021	16.7
69.03428	10.9
69.75963	7.8
70.02954	2.6
70.06584	8.2
71.01347	2.0
71.04974	4.5
72.04516	8.2
72.08135	1.3
73.02905	9.2
74.02416	4.4
74.06073	13.0
75.04458	2.1
80.04996	2.6
81.03411	5.6
82.06561	2.6
83.04980	1.2
84.04502	16.5
84.08119	2.0
84.96004	2.2
85.02905	22.6
86.03704	1.5
86.06060	7.3
86.09709	1.1
87.00796	1.1
87.04461	1.8
88.03973	5.9
89.00756	1.4
92.07119	16.5
94.06554	3.0
96.04491	6.1
97.02881	3.9
98.01187	1.6
98.06050	13.3
98.20719	1.4
98.97584	11.0
99.04430	2.2
100.07600	1.6
101.00834	1.9
102.05529	19.8
103.03936	13.9
104.01318	1.4
104.07068	2.0
105.02093	1.6
107.04941	1.7
109.02866	3.0
110.01255	3.1
110.06040	2.7
110.97536	1.4
111.02021	1.1
112.03947	4.9
112.07587	2.4
113.02379	2.3
114.05516	9.9
114.16462	1.0
116.03493	1.2
116.07091	12.9
116.98637	8.8
117.03826	1.4
119.01857	6.9
120.01943	1.7
120.06573	11.5
121.44118	1.1
122.06062	1.5
126.05520	2.1
127.03883	3.7
128.02299	18.6
128.98570	3.6
130.04991	17.2
131.00137	1.5
131.01804	1.7
132.05583	2.4
132.06554	31.5
133.04840	1.2
133.06465	1.4
134.08145	6.4
134.99664	5.4
135.03134	3.1
137.02843	10.7
138.05424	1.4
139.53069	2.2
140.07043	4.2
141.01297	1.2
142.04959	3.5
144.06529	2.8
144.99837	1.8
146.08160	1.3
146.99628	3.6
148.06036	5.6
149.01170	1.5
150.01820	2.5
153.01172	1.7
158.08136	8.7
158.99745	1.1
159.01231	1.6
160.06046	73.6
161.01169	3.0
161.02849	2.6
161.06017	1.6
162.03613	1.8
163.02605	2.1
165.00621	2.8
168.01480	2.5
168.06541	2.2
170.03281	1.9
171.02264	1.4
173.01283	2.2
173.02818	1.4
174.07623	7.0
174.98463	1.2
175.04501	2.5
176.07367	3.8
176.09149	5.8
177.00757	1.9
177.02357	3.4
177.05527	1.6
178.03134	1.8
183.02237	3.0
186.02710	1.3
186.07614	8.1
188.97014	1.5
189.00728	3.9
191.02216	2.4
192.02805	5.3
193.00098	1.9
194.10249	14.0
200.04068	3.7
201.00748	1.7
202.98712	1.4
204.02878	1.6
204.06976	1.8
204.08661	36.8
204.10437	1.6
206.98070	2.2
207.01865	1.4
213.03337	3.8
217.00078	4.5
219.01746	3.0
219.58194	1.3
222.03955	3.2
222.07910	5.0
222.09706	100.0
235.01181	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	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98460	1.5
86.09715	1.7
101.37029	0.8
110.06053	0.8
110.49599	0.8
119.01942	1.1
122.92373	0.7
138.96419	2.4
156.97464	49.9
162.95563	1.9
174.98524	100.0
175.98688	2.0
179.99074	4.4
180.97441	1.6
198.00177	4.0
198.98526	20.4
199.00212	1.0
216.99577	69.8
217.99719	1.7
221.99969	1.1
222.02856	2.0
222.09738	1.8
229.66403	0.8
240.01157	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	221.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.4
55.05492	0.5
56.11103	0.3
56.96560	0.5
57.07048	0.4
67.05473	0.7
69.07032	0.6
70.06599	1.8
70.87124	0.6
70.87449	0.4
72.08119	1.1
78.32758	0.4
79.05460	0.8
81.07020	1.6
83.22124	0.3
84.04464	0.4
84.08113	0.4
91.05445	1.3
93.07037	8.0
94.06525	0.8
95.04934	0.4
95.08585	0.5
96.08128	3.8
98.06073	2.5
98.97543	0.6
105.07010	1.4
106.06507	0.6
107.08556	1.3
109.10135	0.9
110.05952	0.4
111.08084	0.4
112.07591	6.0
116.07052	1.0
119.08598	0.6
120.08096	3.3
121.06438	0.7
124.06717	0.4
124.07578	6.7
126.09145	0.6
130.06479	1.5
131.08546	0.5
132.04411	1.1
133.02832	0.9
134.05951	0.5
134.09622	0.9
136.07529	1.4
137.09575	0.5
137.46526	0.4
142.68909	0.3
145.10112	1.9
147.11496	0.4
148.07564	36.3
148.11115	0.8
149.08244	0.4
150.09114	0.6
157.07567	0.9
158.06013	2.5
159.11658	0.5
162.09145	3.9
162.12766	2.9
163.13133	0.3
175.08678	2.6
175.11215	0.5
176.10777	0.7
176.14290	2.4
186.12863	0.6
187.11177	0.6
192.13806	0.7
204.13828	63.8
205.14119	0.8
221.09201	1.1
221.16481	100.0
222.16856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05502	0.9
56.96559	8.6
57.03430	1.9
57.07059	1.1
59.04992	0.5
60.04512	1.1
60.95834	0.4
61.02925	2.0
61.03174	0.4
67.05476	0.6
68.98337	0.3
69.03422	2.3
69.07059	1.1
70.06576	1.7
70.13619	1.7
71.01349	0.8
71.04973	1.0
71.79720	0.3
72.08141	1.7
73.02930	2.0
74.02425	0.6
79.05491	0.6
81.03398	1.3
81.07027	1.0
82.02937	2.9
83.04927	0.6
84.08111	1.5
85.02917	2.6
86.03206	0.4
86.09692	0.7
87.04445	0.9
91.05445	0.8
93.07001	0.6
94.06559	4.4
95.01324	0.6
95.04962	0.8
95.08607	0.8
97.02897	3.0
98.06023	0.4
98.97580	3.9
99.04481	0.8
101.02379	1.5
101.06007	0.9
103.05453	0.9
104.04955	0.4
104.36210	0.4
105.07022	1.0
106.00942	0.4
107.04909	0.7
107.08649	0.8
109.02877	0.9
109.06429	0.6
109.10150	1.2
110.97524	0.6
111.08066	1.0
115.03837	0.4
115.05476	1.0
116.07123	0.4
116.98602	3.8
119.01855	1.6
119.08556	0.7
120.08120	0.8
121.01559	0.6
121.06485	1.0
121.10149	0.5
122.06010	0.8
123.04390	0.5
123.08054	0.4
125.31422	0.4
127.03924	1.0
128.02251	0.4
128.98599	1.9
130.06517	65.3
131.00096	0.5
131.06874	1.0
132.04442	41.0
133.01640	0.5
133.04768	0.5
133.06427	0.4
133.10072	0.6
134.06033	0.8
134.99644	2.8
135.08072	0.6
136.06143	1.2
137.05981	1.8
137.09644	0.7
140.04913	0.7
141.05455	0.6
141.99266	0.5
146.06003	0.9
146.99612	1.5
147.04288	0.5
147.09146	1.0
148.07556	3.0
149.01184	0.8
152.06987	0.5
156.06847	0.7
157.07602	28.0
158.06000	80.1
159.06346	1.2
160.07547	0.5
161.01196	1.0
161.02852	0.8
161.09651	0.6
162.05487	1.0
162.09116	0.5
163.02744	0.5
165.09117	0.6
170.05177	1.1
173.01248	0.6
174.99124	0.6
175.08656	100.0
176.07054	2.7
176.08846	0.7
177.00717	0.9
177.04271	0.8
179.07069	0.4
182.03468	0.4
185.07187	0.5
186.05490	2.6
189.00732	0.8
190.98541	0.6
191.11842	2.3
193.00122	0.9
193.03819	0.7
193.15883	0.4
195.05400	0.4
197.55400	0.7
199.38438	0.4
203.08139	5.3
203.14429	0.5
204.06529	4.8
216.99927	0.5
219.01781	0.6
220.56154	1.6
221.09221	20.1
221.12442	0.7
221.15236	0.7
221.18250	0.6
237.02679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0918
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05521	0.4
58.35677	0.4
58.53600	0.4
70.06582	0.8
71.61497	0.7
79.05474	0.6
82.02920	1.4
83.28898	0.4
84.08119	1.2
94.06559	2.8
103.05482	0.8
104.04966	0.6
110.09673	9.7
115.05439	1.2
117.05729	0.5
120.08089	1.2
124.11206	6.1
130.06516	44.2
131.07024	0.5
132.04445	30.1
132.08078	0.7
134.06020	5.0
138.12769	0.7
145.89684	0.4
146.05991	1.3
147.06337	2.0
147.09138	1.0
148.07568	3.9
157.06314	1.0
157.07605	19.3
158.06001	67.5
159.06703	0.8
160.07568	3.9
162.05492	13.2
162.12767	0.8
175.08656	100.0
176.07051	2.5
176.08963	1.4
186.05476	5.4
194.78889	0.4
203.08159	1.2
204.06541	21.1
204.13802	1.2
204.17487	0.7
205.06987	0.5
221.09201	28.4
221.16666	2.5
221.20093	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	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
52.92323	0.7
53.01160	0.7
61.16471	0.8
70.56062	3.2
71.97372	0.9
74.65042	0.9
82.02928	2.5
86.73774	0.8
94.04278	0.8
94.06534	3.9
103.05453	0.8
104.04964	1.5
115.05424	1.1
120.08092	1.1
121.30902	0.7
130.06514	100.0
131.06795	1.2
132.04443	50.7
147.09142	1.4
148.07510	3.3
156.06833	2.0
157.07600	58.5
158.05998	90.9
175.08653	88.1
175.09816	1.5
176.07133	1.8
176.08939	1.1
185.07053	1.6
186.05470	2.8
189.85202	0.8
203.08131	33.0
204.06570	3.8
204.08252	1.0
221.09201	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90238	1.0
53.02639	0.6
55.01892	0.9
55.05532	2.4
56.96559	4.4
57.03470	0.8
57.07070	5.3
61.02942	0.8
67.05513	5.4
68.99799	0.7
69.03442	1.8
69.07098	3.2
70.06590	6.9
71.04987	0.9
71.61420	1.3
72.08170	1.4
72.76446	0.7
79.05083	0.7
79.05480	3.8
81.03422	0.9
81.07050	6.1
83.05004	1.5
83.08627	1.8
84.08173	0.9
85.02939	2.7
91.05447	4.7
93.07051	4.3
94.06617	1.1
95.04993	2.9
95.08602	5.4
96.04547	1.1
97.02920	2.5
98.06069	1.3
98.97620	2.9
99.04418	0.9
100.01693	0.7
101.02454	0.8
103.05490	0.8
105.07011	7.1
106.06573	1.5
107.04968	1.8
107.08557	4.6
109.02884	1.7
109.06541	2.2
109.10172	6.2
109.27816	0.7
110.09678	2.5
111.08066	5.0
114.00623	0.7
115.05468	1.9
116.07086	5.3
116.98657	2.4
117.07045	1.8
118.06587	1.0
119.04940	1.0
119.07332	1.6
119.08573	5.8
120.08039	0.9
121.06515	5.6
121.07368	0.7
121.10123	4.3
123.08092	1.9
123.11748	1.6
124.07565	1.0
124.11251	1.4
125.63057	0.7
127.03936	1.0
127.07085	1.8
128.02354	0.8
128.06209	0.9
130.06523	8.2
131.04948	2.0
131.08626	1.4
132.04451	5.9
133.02853	1.5
133.06416	3.6
133.09273	0.9
133.10112	4.9
134.05969	1.4
134.99684	3.1
135.08089	2.4
135.11716	1.7
137.05952	4.3
137.09621	3.3
145.06520	1.0
145.10121	1.5
146.07123	1.2
146.99652	0.8
147.04381	1.8
147.08020	3.4
147.09117	0.8
147.11688	2.8
148.07616	1.0
148.08678	25.2
151.11252	1.1
153.09084	1.9
157.07639	4.8
158.06004	13.5
158.99707	1.3
160.05203	0.8
160.08722	2.3
161.05959	8.8
161.09619	3.0
161.13242	1.9
163.07489	1.5
163.11185	1.4
165.05582	1.1
165.09160	3.3
174.06612	12.1
175.03929	1.3
175.07481	2.3
175.08717	18.6
175.11189	2.2
175.14812	3.1
177.00729	3.4
178.09740	81.6
179.07008	0.9
179.10591	2.7
179.14331	0.8
186.20718	0.8
188.04472	0.8
189.05504	1.1
193.15855	4.1
195.04840	1.0
203.07068	3.2
203.10756	1.4
203.14319	2.2
203.18015	0.9
204.07681	100.0
205.08131	0.7
205.14949	1.0
206.16203	1.7
221.04486	3.1
221.10300	46.8
221.15355	3.6
221.16634	1.2
221.18439	2.3
236.10718	2.1
237.02725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1534
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03943	3.5
53.88261	0.4
55.01863	1.5
55.05507	8.4
55.15686	0.5
56.96548	1.2
57.07067	0.7
65.03928	1.7
67.05501	10.3
69.03431	0.5
69.07060	9.8
69.79649	2.5
69.80068	0.8
71.04981	2.0
71.47978	0.5
73.06535	1.1
78.04700	0.5
78.64011	0.4
79.05488	50.1
81.03403	0.8
81.07051	30.1
83.04956	1.2
83.08615	4.6
85.02862	0.6
85.06525	3.7
87.04459	0.8
91.05473	33.9
92.01366	0.5
93.07035	100.0
94.07358	0.7
95.04959	10.6
95.08597	14.0
97.06513	2.5
98.97585	2.2
99.04384	0.5
99.08124	0.6
100.47025	0.4
101.06004	0.9
103.05399	0.8
105.04506	1.3
105.07021	27.0
106.07390	0.5
107.04967	0.5
107.08584	56.1
108.08920	0.6
109.06512	5.4
109.10154	1.9
110.09704	0.9
110.20277	0.6
111.08098	0.6
115.05450	0.5
116.98624	2.0
117.07005	3.7
119.06094	0.7
119.08569	29.5
120.08914	0.6
121.06491	2.2
121.09299	1.0
121.10135	13.2
123.08055	4.0
124.11224	0.5
127.07540	1.3
128.06207	0.9
129.06992	2.5
131.04962	0.5
131.08549	5.1
133.10118	9.1
134.99631	2.4
135.08066	1.7
135.11703	1.1
137.05927	0.6
137.09583	1.0
139.07535	0.8
142.07721	0.9
143.08539	6.6
145.10114	1.1
147.08029	2.1
147.11690	3.7
149.09579	0.5
151.07559	0.6
157.10115	3.3
158.01210	1.2
159.11676	6.7
161.09616	3.9
161.13246	25.9
163.07465	0.7
165.09082	2.0
170.10953	0.6
175.11180	5.0
175.14801	5.5
177.24486	0.5
179.10674	1.3
185.13243	16.0
203.14305	9.6
203.17960	0.6
221.11774	1.8
221.15350	32.8
222.11218	1.3
222.15720	0.8
240.29657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
55.05509	0.6
61.93454	0.3
67.05484	0.6
69.07062	0.4
69.41543	1.5
69.41968	1.6
72.08154	13.9
77.03928	0.6
79.05494	0.5
81.07037	1.0
89.10789	1.5
91.05483	0.7
93.07046	1.0
93.80962	0.3
95.04929	0.4
95.08580	0.6
103.05462	19.9
105.07014	1.6
107.08573	0.6
109.10182	0.4
111.26851	0.3
117.06992	0.4
119.08585	1.3
120.93623	0.3
121.10115	1.3
123.08044	0.4
131.04921	100.0
131.08557	1.1
132.05237	1.3
133.10110	2.0
135.11667	0.5
145.10158	1.5
147.04387	0.4
147.07994	0.4
147.11673	0.6
148.04745	0.3
148.07578	1.0
149.09549	0.4
157.10092	0.4
159.08078	0.4
159.11719	1.1
160.07565	0.9
161.09602	0.8
161.13280	0.9
171.08057	0.5
173.13271	0.5
175.14720	0.4
178.05009	1.1
189.09077	0.6
201.05348	0.3
201.12781	0.4
201.16440	0.5
202.12260	41.3
203.12535	0.5
203.14282	5.3
206.04510	0.4
219.06477	0.6
219.10246	1.0
219.14946	19.8
219.17455	21.6
220.06053	0.9
220.15289	0.6
220.17876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1179
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.89579	0.5
55.01874	1.7
55.05511	1.8
55.77901	0.7
56.96549	0.8
57.07072	6.3
59.05005	5.4
67.05505	6.7
69.07065	5.2
70.02938	5.7
70.06615	0.7
71.42140	1.5
72.04513	12.8
72.08146	2.6
73.02919	3.6
74.02430	1.8
74.06071	0.8
75.04476	1.1
76.04777	0.8
79.05480	0.7
81.07036	1.2
81.16880	0.5
82.12020	0.6
83.04980	1.3
84.08147	1.6
85.06542	10.2
86.09695	1.4
87.04491	0.9
87.08092	2.2
90.05550	100.0
91.05492	0.7
95.04961	7.8
96.08135	1.6
97.02862	0.8
98.02410	13.4
98.06033	0.6
98.97562	0.6
100.03981	2.5
102.05511	1.1
103.03914	1.1
103.07584	7.3
104.04279	1.6
105.07011	1.0
107.04933	4.0
110.09624	0.7
112.07642	0.8
113.06003	3.8
116.03437	14.8
124.07586	20.5
131.06999	0.9
142.08633	7.4
145.06313	0.6
147.04398	0.9
147.08003	0.7
156.10196	1.2
158.11674	2.2
159.02934	1.5
160.03194	4.3
160.09627	1.6
166.08682	1.7
174.05565	0.7
174.11212	2.6
174.12537	0.7
175.13097	2.7
177.12872	0.6
184.09677	21.4
202.08789	1.5
202.10733	30.8
203.12680	3.9
204.14626	2.9
205.15891	4.6
220.05621	1.2
220.09882	1.5
220.11758	40.7
220.15308	1.6
220.17706	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1693
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.08035	0.2
64.40389	0.2
79.05489	0.2
91.05443	0.2
93.07008	0.3
95.04956	0.3
97.02865	0.2
98.21535	0.3
105.07007	0.5
107.08585	0.2
118.06535	6.8
118.10534	0.2
119.08530	0.3
120.08141	1.2
121.10137	0.2
131.04823	0.2
132.08063	1.8
133.08849	1.0
134.09630	0.4
134.10498	0.3
146.09621	2.1
147.10483	0.3
160.11224	0.4
162.09146	4.7
164.04285	0.4
176.10747	3.1
176.14330	24.4
177.11418	1.0
177.14655	0.3
190.12201	2.4
192.03693	0.9
202.15840	0.5
204.13974	0.3
205.15881	0.5
220.03342	1.4
220.16939	100.0
221.04413	0.3
221.17282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.0
56.96573	10.5
57.07077	8.8
61.13571	1.8
65.60441	1.5
67.05513	4.1
69.03408	1.9
69.07037	4.1
69.68797	13.0
71.08658	1.9
77.00893	3.0
79.00660	1.9
81.07053	5.6
83.08630	3.0
87.85760	1.7
91.05522	1.5
93.07018	3.9
95.01950	3.0
95.04944	1.7
95.08569	4.0
98.20816	2.5
98.97581	5.0
100.02494	10.3
101.00893	6.8
105.07000	5.2
107.08595	1.7
109.10147	5.7
111.08053	4.3
116.98618	7.2
118.03510	11.7
119.01913	100.0
119.08566	5.0
120.02015	2.9
121.01659	2.6
121.06478	1.7
133.03448	2.5
133.10135	4.9
134.99651	9.2
135.03151	1.9
136.04587	2.2
137.02951	72.0
137.05939	2.5
137.09547	1.9
139.02603	2.2
142.03481	7.2
147.04988	2.9
148.01414	6.3
149.04782	2.1
149.06630	1.8
150.51688	2.7
153.00714	2.8
156.97350	2.1
158.01291	2.4
159.52220	5.8
160.02348	2.1
160.04538	2.3
161.02962	34.1
161.04410	2.6
161.09642	2.0
165.09224	2.3
172.08195	2.9
174.98900	3.0
175.02734	6.9
175.04472	4.6
175.14841	3.0
179.00742	13.0
179.03998	74.9
184.04573	3.8
193.03769	3.6
193.15935	3.2
195.51479	4.9
197.03065	2.2
197.99153	4.6
198.02525	3.6
198.04323	3.4
198.06125	6.9
202.05611	5.0
206.16246	2.1
216.07211	3.6
221.01773	50.6
221.04991	4.1
221.06970	2.8
221.11778	2.9
221.15266	4.7
221.18121	2.4
222.01913	2.7
244.03357	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61406	0.4
51.40297	0.4
52.03136	0.4
69.03400	0.4
70.06580	1.0
71.09103	1.1
72.08125	0.4
77.03928	0.7
79.05517	0.5
82.02934	1.5
84.08129	1.0
85.02898	0.7
86.79990	0.4
91.05448	0.6
93.07008	0.9
94.06557	3.6
96.08099	0.9
98.09725	0.6
103.05472	0.9
105.07021	0.5
106.06563	0.7
109.10151	0.5
110.09682	10.6
112.07568	0.6
115.05435	1.2
116.07060	1.0
118.06534	0.7
118.13577	0.4
120.08113	1.6
124.07618	0.6
124.11227	5.4
127.06982	0.4
130.06517	47.3
132.04446	29.2
132.05225	0.3
132.08098	0.6
134.06010	5.9
143.69676	0.5
146.05994	1.9
147.06316	2.3
147.09161	1.0
148.07565	5.9
157.07603	18.9
158.06003	66.1
159.06476	1.7
159.48660	0.5
160.07576	3.5
160.17886	0.5
162.05490	13.3
162.09174	0.5
162.12787	0.9
175.08658	100.0
176.07042	2.4
176.08969	1.3
178.15857	1.0
186.05516	3.9
203.08118	1.9
204.06551	24.1
204.13815	4.3
221.09201	31.1
221.16516	9.2
221.20053	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.20181	0.5
55.05472	0.9
57.03411	0.8
67.05488	1.5
70.96660	2.1
79.05468	0.9
81.07018	1.3
91.05476	7.7
93.07037	1.5
95.04974	1.1
95.08594	0.8
103.05477	2.9
105.07005	3.5
107.08557	0.7
109.10159	0.8
115.05433	6.9
116.06219	2.6
117.06998	2.5
117.71213	0.6
119.04947	0.7
119.08509	1.5
121.10165	1.6
128.06221	6.3
129.06995	31.0
130.07800	1.7
131.04915	5.9
131.08556	30.5
133.10117	4.7
135.08063	0.8
135.11653	0.8
137.05945	1.8
141.06973	27.4
143.04897	2.1
143.08545	1.9
144.05695	4.7
145.06488	4.8
145.10106	1.9
146.07239	4.2
147.04390	1.0
147.11662	0.8
148.05174	1.5
153.06894	1.1
157.06477	15.8
158.07265	18.7
159.04456	3.1
159.08046	20.8
159.11650	0.8
160.05182	4.3
160.08450	0.7
161.05968	0.9
161.09653	3.5
161.13214	0.9
163.07527	1.6
168.05717	0.7
169.06471	11.7
169.07808	1.2
169.13724	0.7
170.07251	6.5
171.07985	1.1
173.05956	2.5
173.09657	1.7
174.06755	60.3
175.07523	9.3
177.09055	1.0
185.05988	0.9
186.06757	15.4
187.07471	2.2
188.08353	3.0
189.09093	76.9
190.09439	1.0
191.07054	1.0
191.10625	5.7
201.09082	31.6
201.16342	0.9
202.09398	1.1
203.14313	5.8
219.10143	100.0
219.17390	23.6
220.10576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
55.05510	2.6
56.96556	2.7
57.03411	1.2
57.07066	1.4
60.04513	1.0
61.02637	0.8
61.02921	12.3
62.48646	0.5
67.05486	1.8
69.03401	1.7
69.07048	2.3
69.93832	0.5
71.01347	19.8
71.04967	1.8
71.14727	1.2
72.08146	1.2
75.04476	28.8
77.47214	0.5
79.05486	2.6
81.03414	0.9
81.07059	4.7
83.04952	1.8
83.08602	0.6
84.04469	0.7
85.02888	2.5
87.04456	10.6
88.54527	0.6
89.02387	4.9
90.05519	0.7
91.05475	2.7
93.07064	3.0
95.04946	2.0
95.08620	2.6
97.02859	1.0
97.06533	0.6
98.97592	3.0
101.05978	1.2
103.03933	38.0
105.07033	5.1
107.08595	2.8
109.06496	1.3
109.10120	0.8
110.09655	0.6
111.04424	1.7
113.05990	0.6
116.98593	3.7
117.01849	0.6
117.06991	1.5
119.04889	0.8
119.08572	5.9
121.06459	0.7
121.10137	6.6
123.08015	1.0
129.06970	0.6
131.03400	8.6
131.06030	0.7
131.07640	0.5
131.08510	3.3
133.06451	0.6
133.10117	6.6
134.99631	3.1
135.08031	1.2
135.11658	1.4
143.08502	1.0
145.06494	1.3
145.10156	3.4
146.05981	2.3
146.07155	0.6
147.04379	1.4
147.08052	0.8
147.11690	3.0
148.04697	3.6
149.09570	0.7
153.00633	0.7
155.04648	1.0
155.07076	0.6
157.07578	1.0
157.10126	0.7
159.02875	64.2
159.08034	1.1
159.11702	2.2
161.04518	1.0
161.09581	3.2
161.13263	4.1
161.20090	0.5
163.07487	0.9
163.11151	0.7
170.10898	0.8
172.95308	1.1
173.07039	0.7
173.09593	0.9
173.13243	2.6
174.12787	3.6
175.08598	1.8
175.14760	1.8
177.00673	1.3
185.13092	0.7
187.02362	5.0
187.11177	1.6
188.11995	1.1
190.95187	1.2
191.07019	0.7
192.02821	0.8
197.48337	0.6
201.12695	1.7
201.16336	1.4
202.12239	8.1
203.14293	25.7
203.71779	0.6
213.96858	0.5
219.04976	8.5
219.07019	1.1
219.07872	1.1
219.11610	1.9
219.17407	100.0
228.94830	0.5
237.02779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20181	0.5
55.05472	0.9
57.03411	0.8
67.05488	1.5
70.96660	2.1
79.05468	0.9
81.07018	1.3
91.05476	7.7
93.07037	1.5
95.04974	1.1
95.08594	0.8
103.05477	2.9
105.07005	3.5
107.08557	0.7
109.10159	0.8
115.05433	6.9
116.06219	2.6
117.06998	2.5
117.71213	0.6
119.04947	0.7
119.08509	1.5
121.10165	1.6
128.06221	6.3
129.06995	31.0
130.07800	1.7
131.04915	5.9
131.08556	30.5
133.10117	4.7
135.08063	0.8
135.11653	0.8
137.05945	1.8
141.06973	27.4
143.04897	2.1
143.08545	1.9
144.05695	4.7
145.06488	4.8
145.10106	1.9
146.07239	4.2
147.04390	1.0
147.11662	0.8
148.05174	1.5
153.06894	1.1
157.06477	15.8
158.07265	18.7
159.04456	3.1
159.08046	20.8
159.11650	0.8
160.05182	4.3
160.08450	0.7
161.05968	0.9
161.09653	3.5
161.13214	0.9
163.07527	1.6
168.05717	0.7
169.06471	11.7
169.07808	1.2
169.13724	0.7
170.07251	6.5
171.07985	1.1
173.05956	2.5
173.09657	1.7
174.06755	60.3
175.07523	9.3
177.09055	1.0
185.05988	0.9
186.06757	15.4
187.07471	2.2
188.08353	3.0
189.09093	76.9
190.09439	1.0
191.07054	1.0
191.10625	5.7
201.09082	31.6
201.16342	0.9
202.09398	1.1
203.14313	5.8
219.10143	100.0
219.17390	23.6
220.10576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1171
Annotation	Securinine
Peak:m/z	Relative Intensity
50.61119	0.2
53.03921	0.2
55.05505	2.4
55.79546	0.2
56.05036	0.3
56.96324	0.2
56.96563	3.0
57.03426	0.5
58.06585	0.3
60.04519	0.4
61.02903	0.5
65.03922	0.3
69.03410	0.7
69.07064	0.2
69.98972	1.0
69.99392	0.3
70.06579	1.0
71.01340	0.3
71.04980	0.3
72.08149	4.3
73.02898	0.4
81.03383	0.6
82.06564	0.8
83.04980	0.5
84.04485	0.6
84.05302	0.3
84.08135	1.3
85.02895	0.6
86.06032	0.2
86.09694	0.5
87.04440	0.3
89.10784	0.5
91.05473	3.8
94.06570	0.2
96.08118	0.2
96.74504	0.2
97.02863	0.5
98.06039	0.7
98.09684	0.4
98.97578	4.8
109.02872	0.3
110.02354	0.3
110.05974	0.4
110.97610	0.2
111.04401	0.3
112.04747	0.4
112.11205	0.7
115.00703	0.4
116.98605	4.3
119.01889	0.5
119.04935	14.1
120.02085	0.2
121.06518	0.3
126.05479	0.3
128.07053	0.3
128.98573	0.4
130.05014	0.4
130.08659	1.2
131.00116	0.2
131.12964	0.2
133.01712	0.5
134.99667	2.4
140.04961	0.2
140.07037	0.3
142.08643	0.4
144.10121	0.3
146.05971	0.3
147.04398	100.0
148.04762	1.7
152.07080	0.3
153.00752	0.4
153.99345	0.2
154.08611	0.2
155.07005	0.3
156.06343	0.3
156.07458	0.5
156.10184	0.5
157.04466	0.4
158.01260	0.4
158.08163	0.3
164.07108	1.2
172.09718	0.3
173.08168	0.2
174.08423	0.5
174.11240	0.6
176.02341	0.3
177.00679	1.6
177.04276	1.1
194.05290	0.6
195.01787	1.6
195.05359	0.7
198.04652	0.2
200.09132	0.3
200.12773	0.4
201.15919	0.4
207.05118	0.4
218.11761	50.7
218.18724	0.8
219.01807	0.4
219.05321	0.3
219.12062	1.0
219.17499	0.3
236.06281	0.3
237.02756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
56.50253	0.7
56.96573	1.1
57.03431	1.4
65.29025	0.7
66.48249	0.7
69.03409	1.6
70.06577	3.3
70.32545	3.5
71.04980	0.9
72.08148	10.2
73.02895	2.2
73.08469	1.2
81.03402	1.6
82.06577	16.0
84.04503	1.3
84.08144	6.3
85.02892	2.3
94.06558	1.9
97.02821	1.7
98.97577	2.7
100.07610	100.0
112.07588	2.4
114.09160	1.1
116.07079	0.9
116.98608	1.2
117.02058	0.8
119.01910	1.6
121.10110	1.4
122.02091	0.8
130.08641	1.7
131.01828	0.9
133.03365	1.0
134.99646	1.5
137.02972	0.8
143.01878	0.8
146.08063	0.9
160.04767	1.1
160.09738	1.2
161.02927	1.0
165.04199	1.0
173.02907	1.4
173.10052	0.9
183.04997	0.9
185.02954	1.2
190.05751	1.2
199.06253	1.8
201.12541	1.0
203.14319	3.9
208.06895	1.2
217.05449	0.9
219.02621	3.0
219.07118	3.1
219.10219	1.5
219.13382	35.2
219.17375	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01846	0.3
55.05506	3.0
56.05000	0.4
56.05827	0.8
56.96561	5.7
57.03423	1.3
58.06589	0.3
59.04984	0.4
60.04496	0.9
60.95827	0.3
61.02901	0.8
65.03918	0.4
67.05482	0.4
68.99711	0.3
69.03427	1.4
69.07044	0.5
70.06589	2.1
70.63560	0.6
70.63932	0.5
71.01316	0.7
71.04971	0.7
72.04504	1.4
72.08148	7.6
72.16877	0.3
72.41213	0.2
73.02890	0.8
74.06063	0.6
79.05465	0.4
80.04970	0.5
81.03408	1.4
81.07044	0.2
82.06565	0.6
83.01321	0.3
83.04979	1.6
84.04467	0.8
84.05288	1.4
84.08137	2.5
84.96008	0.6
85.02899	2.6
86.03658	0.3
86.06066	0.3
86.09701	1.3
87.04436	0.7
89.06025	0.4
89.10778	0.5
91.05473	2.9
94.02898	0.8
95.01299	0.4
95.04980	0.4
96.46949	0.3
97.02867	1.2
97.06541	0.3
98.06017	1.0
98.09671	0.5
98.97577	6.3
99.00783	0.4
99.04421	1.0
100.03951	0.7
101.00901	0.3
101.06033	0.3
102.05540	0.4
102.06318	0.7
103.03908	0.5
109.02879	1.1
110.02389	0.3
110.97587	0.3
111.04457	1.6
112.04000	0.6
112.04757	1.9
112.07570	0.5
112.11229	1.1
113.02357	0.5
113.05992	0.3
114.05496	0.4
115.00676	0.4
116.98612	6.4
118.04076	0.2
119.01864	1.2
119.04931	12.8
121.06511	0.4
122.06010	0.4
123.52850	0.3
124.03928	0.5
125.05981	0.3
126.05495	0.4
126.09176	0.4
127.03878	0.6
128.03410	0.3
128.07063	1.1
128.07928	0.6
128.98595	0.6
129.05482	0.6
129.10251	0.3
129.13818	0.3
130.04991	1.6
130.05815	0.4
130.08620	1.0
131.00183	0.4
131.01863	0.3
131.03394	0.8
133.01683	1.2
133.53014	0.3
134.99646	6.0
136.06125	0.2
138.02614	0.3
138.05490	0.5
140.00200	0.5
140.07047	0.6
142.08585	0.4
143.00198	0.4
144.10187	0.7
145.07539	0.4
146.05995	0.4
147.04395	100.0
148.04735	1.2
149.01210	0.3
151.02667	0.3
152.06992	0.5
153.00700	0.9
154.08633	0.4
154.94225	0.3
155.07024	0.9
156.03622	0.4
156.06517	2.9
156.07440	2.1
158.01259	0.6
159.03009	0.8
160.06189	0.3
161.01299	0.6
163.02794	0.4
163.04280	0.3
164.06981	1.3
165.00737	0.3
165.04170	0.3
170.08107	0.7
172.06023	2.9
172.09662	1.3
172.95215	0.8
173.08138	0.9
174.08487	2.3
175.02853	0.3
176.02315	0.8
177.00677	1.6
177.02261	0.4
177.04329	1.2
182.03369	0.3
187.02922	0.3
189.00807	0.5
189.04102	0.4
190.07127	1.2
190.96278	0.6
195.01743	1.1
195.05450	1.1
199.52083	0.3
200.05597	0.7
201.16006	0.8
207.05206	0.8
218.06656	3.9
218.11774	43.1
218.18684	1.6
219.01817	0.4
219.12079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05500	15.3
56.05026	3.4
57.07058	1.5
60.05635	3.4
67.02978	2.6
67.05505	12.2
68.05003	3.6
69.07070	10.7
71.06229	3.9
72.42439	1.4
79.05489	10.8
81.04533	4.1
81.07047	14.1
83.04974	25.4
83.06084	5.1
83.08600	4.5
85.06553	1.6
87.04485	1.9
89.02384	1.8
89.06021	5.1
91.05476	7.2
93.04514	2.1
93.07030	17.5
95.04880	1.5
95.06067	4.0
95.08036	2.8
95.08604	32.2
97.07650	2.4
97.10177	2.0
99.04449	2.5
101.05986	8.9
105.06489	1.4
105.07048	14.7
107.06062	3.0
107.08584	21.9
108.05611	2.9
109.06443	2.1
109.07624	3.6
109.10159	35.3
110.07148	5.8
111.04427	30.9
111.07948	5.0
111.11703	2.6
113.06000	2.9
117.17026	1.6
119.08557	12.7
121.09319	1.8
121.10137	29.4
122.07182	1.9
123.06696	2.2
123.09140	1.5
123.11692	10.3
124.08685	3.1
127.07527	5.3
129.05466	13.6
129.94153	1.4
131.08565	2.0
133.07582	3.9
133.10124	12.3
134.07123	6.6
135.06680	7.8
135.07556	1.6
135.11646	11.2
136.07469	3.4
136.08598	3.1
137.08159	3.5
137.13214	1.9
138.10271	1.7
147.06578	3.2
147.11674	29.7
148.07561	1.8
148.08669	3.7
149.08199	6.8
151.09763	1.9
155.07016	43.1
158.07126	5.2
159.06644	2.4
159.11723	4.3
161.08209	2.4
161.09560	2.1
161.13240	24.2
173.08092	31.9
175.09749	8.8
175.14771	4.9
176.09267	11.6
177.10072	5.8
180.07570	1.6
183.30917	1.3
189.16328	2.1
190.10907	2.4
199.09607	3.5
200.09299	2.5
217.10654	27.7
217.12192	14.3
217.14412	3.5
217.19499	100.0
218.11014	1.8
218.14024	6.2
218.19730	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1949
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03935	1.0
55.05505	32.1
56.96546	2.2
57.03421	1.0
57.07052	3.8
59.04991	2.6
65.03923	1.4
65.20068	0.8
66.79617	0.8
67.05167	1.2
67.05498	16.6
69.03415	2.0
69.06726	1.1
69.07066	16.9
70.99355	2.5
71.08636	1.2
73.02884	1.3
79.05495	7.4
81.06573	1.5
81.07054	27.6
82.75046	0.8
83.04977	30.9
83.08617	9.1
85.06541	2.3
87.04452	2.1
89.02370	2.3
89.06026	9.5
91.05460	9.6
93.07040	16.4
95.04961	1.3
95.08600	36.3
97.10139	3.4
98.98444	1.1
99.04428	2.0
101.06008	13.8
105.07021	38.5
107.07023	1.1
107.07848	1.8
107.08582	29.4
109.06544	1.3
109.10147	32.7
111.04435	46.8
111.11708	4.5
113.06001	5.5
114.85384	0.8
117.06995	2.4
119.08572	43.3
121.09303	1.5
121.10136	23.0
123.11698	16.2
127.07545	6.7
127.25972	0.9
129.05482	17.1
129.06937	1.7
131.08557	2.8
133.10130	26.9
135.07977	0.9
135.11662	7.2
137.05968	1.3
137.13229	1.8
139.05145	1.7
143.08548	2.3
144.09239	0.8
145.10106	3.7
147.06529	1.2
147.11674	25.3
149.13261	1.4
155.07021	60.8
156.07382	1.4
157.10107	2.4
159.11671	9.9
161.09612	1.7
161.13242	43.5
168.07320	1.4
171.11696	0.9
173.08081	45.5
173.13214	2.6
174.13989	1.1
175.07559	1.1
175.14792	18.0
176.15431	1.2
183.56580	0.9
185.10052	3.7
189.16354	7.4
196.60887	1.4
199.09688	3.8
199.14725	1.7
217.04904	1.2
217.08722	1.6
217.10640	42.0
217.15912	7.5
217.19492	100.0
218.19815	1.9
231.50922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
50.99923	0.9
54.03450	1.2
55.05260	2.0
55.05509	25.0
56.05030	1.3
59.04985	2.8
60.05635	4.6
65.03926	1.1
67.02995	1.8
67.05499	8.8
69.06747	1.3
69.07064	10.4
69.95685	6.4
79.05476	3.9
81.04521	3.5
81.07055	13.3
83.04980	33.0
83.06061	2.3
83.08602	3.8
84.05262	1.2
85.05148	2.1
85.06535	2.5
87.04450	2.3
89.02380	3.6
89.06045	7.0
91.05470	4.7
93.07034	8.8
95.06089	1.4
95.08601	37.7
97.27126	1.1
99.04427	2.5
101.06030	12.7
105.04559	1.3
105.07028	16.8
107.06081	1.6
107.08593	21.3
108.05565	1.2
109.07605	1.6
109.10159	24.3
110.07153	2.8
111.03690	2.1
111.04445	40.6
111.07953	2.4
111.11689	1.2
113.05986	4.0
113.99252	1.0
119.08579	14.5
120.05613	1.5
121.05115	1.0
121.10132	19.4
122.07163	2.8
123.11699	10.1
127.07552	5.3
129.05475	17.0
129.06934	1.4
133.07582	3.0
133.10126	8.7
134.07123	4.8
135.06639	3.6
135.11679	4.2
136.07439	2.1
136.08673	1.6
137.08189	1.7
147.06577	2.1
147.11676	15.7
148.08682	2.8
149.08221	4.2
155.07022	46.4
158.07149	3.7
159.06720	1.4
159.11705	2.7
161.13257	28.5
162.10139	1.1
173.06596	2.3
173.08093	42.5
175.09764	8.5
175.14784	4.3
176.09311	4.6
177.10048	1.8
180.07680	5.7
189.16365	4.3
190.10890	1.4
199.09688	4.6
200.09270	1.8
217.10370	33.1
217.12273	10.7
217.19513	100.0
218.10497	2.3
218.14043	3.1
218.19788	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1949
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
52.68407	0.7
53.03925	0.9
55.01866	1.4
55.05505	26.3
56.96545	2.1
57.03421	2.3
57.07057	2.7
59.04984	2.6
65.03913	1.4
67.05495	17.3
69.03407	2.2
69.07063	20.3
71.08601	0.6
73.02902	5.7
73.98327	0.7
79.05482	8.5
81.07050	26.6
83.04472	1.4
83.04972	29.3
83.08614	8.2
85.02889	1.3
85.06512	2.5
87.04446	2.8
87.10347	0.7
89.02378	2.0
89.06023	8.8
91.05467	10.4
93.07038	13.2
95.04941	1.4
95.08597	33.2
97.02857	1.9
97.10150	2.4
99.04449	2.2
101.05370	1.0
101.06006	14.6
105.07021	39.1
107.08580	29.5
109.06503	1.2
109.10145	34.6
111.04432	42.6
111.11718	4.4
112.04760	0.9
113.05979	4.2
115.03931	1.3
117.06991	1.8
117.38910	0.6
119.08569	44.9
121.10133	22.7
123.11693	20.2
127.07531	5.8
128.06172	0.7
129.05473	19.0
129.06996	2.1
131.08565	2.8
133.10118	25.6
135.11673	6.9
137.06007	1.5
137.13228	1.9
139.01624	0.9
143.08537	2.2
145.10091	2.9
147.06493	1.5
147.11671	24.5
149.13237	2.5
155.07014	58.3
156.07391	1.3
157.10060	2.3
159.11679	7.2
160.06351	0.6
160.12442	1.1
161.13243	43.0
162.13954	1.1
169.03400	0.8
171.11612	1.4
173.08083	44.7
173.13184	1.2
174.08331	1.0
175.02870	0.7
175.14804	18.9
175.16264	1.5
176.09660	0.9
176.15483	1.3
189.16370	7.5
199.09657	5.1
199.11293	0.9
199.14771	1.0
217.05083	1.4
217.08759	1.8
217.10646	37.7
217.15936	6.1
217.19492	100.0
218.10944	1.0
218.19838	2.4
229.23775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1949
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
50.21207	1.2
53.03950	1.2
55.05257	1.6
55.05507	22.3
59.04971	2.3
65.03901	1.7
67.05494	16.2
69.06724	1.4
69.07065	17.9
70.08796	7.2
70.28934	1.3
79.05489	9.1
81.07046	21.8
83.04975	26.9
83.08613	4.4
86.07984	1.3
87.04440	1.7
89.02366	3.1
89.06006	4.9
91.05475	13.6
92.08623	1.3
93.07024	17.8
95.08047	2.6
95.08601	34.2
97.10147	5.9
98.20876	1.7
99.04459	1.7
101.06014	11.2
105.07018	41.3
107.08583	31.0
109.10146	33.3
111.04427	31.1
113.05978	4.9
117.07013	1.7
119.08572	34.5
121.10134	19.3
122.28140	1.3
123.11694	13.0
127.07516	5.6
129.05460	17.3
131.08505	3.3
133.10120	24.3
135.11702	8.3
135.12534	1.6
137.13264	2.7
145.10139	3.1
147.11674	34.0
149.13319	3.1
155.07022	50.0
156.07379	1.9
157.10194	1.4
159.11685	5.0
161.13239	32.9
173.08099	37.9
173.13214	2.1
175.14824	11.6
189.16429	6.2
199.09624	4.9
199.14775	2.2
217.08606	3.0
217.10660	34.5
217.12729	1.9
217.15903	5.0
217.19495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0971
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
55.05263	0.4
55.05507	5.4
57.66882	0.2
59.04989	0.6
65.62428	0.2
66.25527	0.2
67.05480	0.5
69.03429	0.5
69.07034	0.3
69.34713	0.5
69.35110	2.4
73.02904	0.4
74.02432	4.6
75.84486	0.2
83.04972	8.3
83.08610	0.5
85.02879	0.2
85.06538	0.7
86.02407	0.3
87.04449	0.5
89.02373	0.9
89.06024	2.1
91.05471	0.4
93.03394	0.3
99.04431	0.4
101.06008	4.6
111.04436	14.5
113.05986	1.0
115.05475	0.3
117.06996	0.7
127.07544	1.6
129.05466	3.6
129.06998	0.8
130.06522	1.3
131.08583	0.3
132.08098	1.1
137.05954	0.6
143.07291	1.6
143.08354	0.3
144.08072	100.0
145.06483	0.5
145.08409	1.1
146.05983	0.5
154.06499	0.5
155.07022	16.7
157.10101	0.4
157.27609	0.3
159.11732	0.5
171.09178	2.2
173.08089	12.8
173.10715	1.0
188.07048	0.5
199.09653	1.3
217.04942	0.7
217.10632	7.5
217.15750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.3
55.01834	3.7
55.05503	30.2
56.05005	1.6
56.96525	4.4
57.03413	2.7
59.04954	3.7
60.04496	1.4
61.02870	1.2
62.44527	1.0
64.57548	1.2
67.05463	2.5
67.71616	1.1
68.05016	5.1
69.03382	3.4
69.07046	2.1
70.06584	60.9
70.33990	4.3
71.04955	2.7
72.04482	2.7
72.08147	100.0
73.02861	4.7
74.06029	3.0
79.05447	1.8
79.58167	1.0
82.06530	3.8
83.04969	38.3
83.08569	3.1
84.04483	7.2
84.08138	11.9
85.02846	4.7
85.06498	3.8
86.06058	64.6
86.09686	1.9
87.04414	5.0
88.03960	1.8
88.07567	2.4
89.02332	4.5
89.05527	1.2
89.06016	11.4
89.10735	1.4
93.03357	1.5
96.04481	42.2
97.02815	1.1
97.07629	1.1
98.97507	1.8
99.04399	4.2
100.03992	8.2
100.07544	4.6
101.02382	6.1
101.06020	15.8
102.05463	1.1
107.06976	1.4
108.08042	1.4
109.02847	1.2
110.05978	1.5
110.09656	11.9
111.04433	57.8
112.03912	3.1
112.07584	1.6
113.06005	6.7
114.05494	1.7
114.09110	3.7
115.08642	2.8
116.07098	6.4
116.98586	2.7
118.08604	1.2
119.01925	7.4
120.08018	3.6
125.05955	1.2
126.09071	3.6
127.07545	6.8
128.07062	12.4
129.01785	1.5
129.05466	21.2
129.06905	1.4
129.10143	2.1
130.04881	2.9
130.08557	1.9
131.01860	1.6
134.99529	1.2
137.02875	2.9
137.10725	53.5
138.09126	75.3
139.09373	1.1
140.03331	1.7
145.03351	4.5
146.08015	4.2
147.04379	8.6
148.92859	1.2
153.07295	1.0
154.08607	5.9
155.07014	77.1
155.11781	25.9
156.11176	1.9
157.09737	2.1
158.08064	4.5
159.11583	3.7
162.96721	1.3
163.04417	2.8
171.01286	1.2
171.11383	1.4
172.08319	1.5
172.09674	22.7
173.08076	59.1
173.13919	2.3
173.16231	1.2
181.09557	1.7
187.04382	1.2
189.02286	1.9
193.00099	1.8
199.09140	2.6
199.10957	16.6
200.09077	9.1
207.03249	1.4
217.01974	1.5
217.06915	27.0
217.10550	48.8
217.12685	6.1
217.15286	8.7
218.10118	17.6
218.11948	1.7
218.13377	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	216.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01858	5.8
55.05494	9.5
56.05031	6.1
56.96564	100.0
57.03431	20.5
58.06593	6.6
58.96174	2.4
59.05000	3.9
60.04513	4.2
60.95840	3.4
61.02921	15.2
67.05500	5.5
68.05004	3.6
69.01488	2.1
69.03416	14.5
69.07047	2.3
70.06591	37.0
70.98119	2.8
71.04985	14.3
72.04504	3.5
72.08152	22.7
72.96049	3.9
73.02915	18.4
73.06525	2.4
73.08470	4.6
74.06066	9.2
74.09720	3.9
74.97601	8.2
79.05463	3.1
80.04993	3.3
81.03402	9.5
81.07042	3.6
82.03734	2.9
82.06579	7.0
83.04975	16.1
84.04497	6.7
84.08136	28.1
84.96030	6.7
85.02907	24.7
85.08443	4.1
86.03672	6.8
86.06055	8.1
86.09686	4.7
87.04468	5.9
88.99117	4.2
89.06029	2.9
91.05476	3.2
95.01262	2.7
96.04507	4.0
96.08123	10.6
97.02885	15.1
98.06023	7.0
98.97584	39.2
99.04450	7.6
100.02577	2.4
100.05238	3.2
100.07607	8.1
101.00818	6.2
101.02328	2.6
101.06012	7.8
102.05548	5.2
102.96927	3.4
103.02425	2.9
109.02849	5.8
109.05241	7.4
110.06075	13.1
110.09632	2.4
110.97559	3.1
111.04447	17.1
112.07556	2.7
112.08666	2.6
113.10770	2.5
114.09162	3.1
115.02386	3.3
115.97824	2.9
116.00240	2.7
116.07098	11.2
116.98621	38.8
118.01131	3.7
118.08600	2.4
119.01913	57.2
120.01947	2.4
121.01619	3.2
121.03454	6.5
122.05981	3.2
124.03957	6.1
124.07587	9.1
124.95511	3.1
126.05512	5.8
126.06541	2.3
126.09168	7.5
127.03903	5.6
127.07478	4.5
128.02295	3.2
128.07051	5.6
128.98642	11.8
129.05455	10.9
129.10216	8.4
130.04967	2.9
130.08606	2.6
131.00183	3.6
131.01866	8.4
131.96136	3.1
132.01956	2.6
134.06012	9.6
134.99651	38.3
136.97646	2.7
137.02939	27.4
137.10771	2.5
138.05501	27.3
138.06422	4.2
138.09164	4.8
142.03522	9.3
142.04921	2.9
142.08618	7.8
142.96526	10.1
143.00168	4.3
143.01857	4.3
143.96159	5.1
144.05177	4.1
144.06512	4.6
145.03412	20.3
146.99648	15.6
147.01360	3.7
147.03183	3.4
147.04367	2.9
149.01202	6.8
149.02956	5.5
149.97185	4.9
150.01750	5.4
150.96878	3.3
150.99118	8.8
152.07060	68.5
152.10716	6.6
153.00735	7.3
153.03069	2.9
154.08604	2.8
155.02850	5.1
155.07008	22.4
156.06560	5.8
156.07675	12.1
156.10199	24.9
158.01241	4.0
158.99660	6.8
159.03212	4.0
160.97569	26.3
161.01231	8.9
161.02936	17.9
161.97231	9.5
162.03329	2.7
162.05473	4.2
162.99225	3.8
163.04504	12.9
165.00664	6.2
168.06512	5.8
169.00203	4.2
170.03162	7.4
170.08122	7.1
170.11766	5.8
170.13727	13.4
173.01270	5.5
173.02916	4.1
173.08089	18.0
174.06151	5.9
174.08733	10.3
174.99150	22.1
175.02733	5.4
175.04416	9.1
175.11928	2.7
177.00739	6.7
178.98627	7.1
179.04022	8.0
180.06529	7.9
180.10167	4.5
181.07216	2.9
184.04759	4.7
185.97217	3.8
186.04544	3.0
189.00781	5.1
189.02451	11.7
191.02240	6.1
191.03925	3.2
193.00204	73.8
193.05510	2.9
196.99622	3.4
198.07655	19.2
198.11249	22.8
199.08305	5.4
199.10970	3.4
201.00671	4.1
203.98303	3.9
207.03410	6.7
207.05127	3.3
211.01241	12.5
216.01834	3.9
216.05502	10.2
216.07133	3.7
216.08792	48.5
216.12277	69.5
216.14204	43.8
217.06833	8.6
217.10710	15.3
219.01811	3.7
234.06517	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	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64355	0.5
54.25035	0.4
55.01789	0.6
55.05405	1.6
56.04960	0.8
56.05207	0.4
56.96454	29.8
56.96772	9.5
57.03355	1.1
58.06487	13.0
58.06812	3.9
61.02844	0.9
67.05392	2.3
68.04918	0.6
69.03312	1.4
69.03643	0.5
69.06983	0.9
70.06476	10.1
70.06905	1.8
70.98026	0.8
71.04903	1.1
71.06827	1.1
71.62174	0.6
71.95162	1.0
72.08033	3.8
72.08467	1.0
73.02795	1.6
73.08411	0.5
74.05972	0.5
74.97505	1.2
79.05394	1.2
81.03338	0.8
81.06941	1.6
82.06469	2.0
82.06905	0.6
84.04417	0.7
84.08025	5.5
84.08555	0.5
84.95918	2.5
85.02785	1.6
85.07528	0.5
86.09595	4.0
87.04378	0.5
88.06548	0.5
88.99080	1.0
89.33731	0.4
91.05369	2.2
92.98577	0.7
93.06937	2.5
94.06486	0.8
94.35287	0.4
95.04905	1.1
95.05998	0.6
95.07246	0.5
95.08509	0.9
96.04411	0.6
96.08119	6.3
96.89037	0.4
97.02811	1.3
97.06448	0.9
97.99089	0.9
98.05978	0.8
98.09686	5.3
98.97573	5.3
99.04391	0.5
100.05136	0.6
100.07523	1.4
100.11182	0.9
100.99136	4.2
101.00803	0.5
103.05408	0.6
105.06976	1.0
106.07179	0.5
107.04965	2.2
107.08546	0.8
108.08089	0.9
109.02813	0.9
109.06445	1.1
110.07072	0.8
110.09611	0.9
110.97465	1.8
111.07973	0.5
112.07505	1.1
112.11195	0.5
113.98582	0.8
114.05455	0.7
114.09107	0.7
116.00172	0.9
116.07021	0.5
116.98617	7.0
119.00182	5.2
119.01905	5.3
120.07970	0.5
121.06414	0.5
122.09615	1.1
124.07602	2.7
124.11217	8.6
124.43055	0.4
125.05891	0.5
125.06902	0.5
126.09104	1.3
127.03936	0.5
128.06999	0.8
128.98578	4.5
131.00133	0.5
131.01788	0.8
131.99725	2.9
132.95767	2.0
133.10117	0.5
134.01123	0.5
134.99658	5.7
136.07465	0.8
136.11171	1.0
137.01160	1.5
137.02855	2.0
138.12642	0.7
140.03427	0.8
140.07014	0.6
140.10703	0.9
141.00021	1.0
142.01767	0.7
142.08623	15.9
142.12270	11.9
144.98074	2.8
146.99640	8.1
147.04337	1.2
148.07533	0.5
149.01164	1.5
149.05843	0.7
149.27557	0.7
149.97147	2.0
150.00717	4.6
150.09125	0.6
150.96861	4.4
153.00650	1.0
154.08629	13.9
154.12254	21.0
155.09332	0.6
158.02882	0.5
158.99623	0.6
161.01158	1.0
161.02908	0.6
162.99126	7.2
165.00706	8.3
165.04926	0.5
167.07021	1.1
167.97168	0.8
168.01750	0.6
168.06480	0.7
168.10187	0.8
168.13800	1.2
172.02826	1.1
172.09692	21.6
172.13310	74.8
172.95244	0.6
172.97600	1.9
173.13660	0.6
177.00717	1.8
177.02187	0.6
178.08661	1.1
178.12376	0.5
178.15875	0.9
181.00180	0.7
183.01779	3.4
186.09779	3.1
188.02341	0.8
189.00702	0.5
190.03889	1.7
190.98563	10.3
191.02287	1.5
191.07678	0.9
191.97157	1.7
192.01743	0.6
196.09732	1.3
196.13382	4.5
196.15115	0.9
196.16960	7.0
197.13348	0.5
202.05054	0.7
204.10904	1.2
208.04938	0.6
208.96652	0.7
208.99690	16.2
209.98314	1.1
211.02844	0.5
212.05838	0.6
214.00372	0.8
214.03995	1.5
214.07236	1.9
214.09085	1.6
214.10887	4.3
214.14468	35.4
214.17987	100.0
215.14096	0.6
215.18411	1.5
219.01869	0.5
227.00697	2.3
232.01294	0.7
232.05061	1.6
232.10297	4.2
232.96594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1437
Annotation	N-Heptanoylhomoserine lactone
Peak:m/z	Relative Intensity
55.01872	0.4
55.05500	0.5
56.05031	1.2
56.96562	6.6
57.03435	1.7
58.06596	1.5
61.02908	1.3
67.05482	0.7
68.05025	0.7
69.03411	1.5
69.07069	0.6
69.92857	2.1
70.06231	0.5
70.06590	6.0
71.04974	0.7
71.95272	0.3
72.08140	1.6
73.02903	2.3
77.00813	0.4
79.05492	1.1
81.03403	0.5
81.07045	1.0
82.06579	0.5
83.05002	0.6
84.08133	1.6
84.30453	0.3
84.96033	0.6
85.02896	2.5
85.96896	0.4
86.03679	0.4
86.07962	0.3
86.09695	2.1
87.04457	0.5
91.05461	0.4
93.07018	0.8
93.18016	0.3
94.06561	0.8
95.08585	0.4
96.01537	0.4
96.08124	10.9
97.02890	1.4
97.06525	0.4
98.06005	0.4
98.09692	2.4
98.97585	4.2
99.04449	0.4
100.99142	0.7
101.00874	0.5
104.03127	0.5
104.51409	0.4
107.04971	0.5
108.08112	0.7
109.02879	0.6
110.01260	1.0
110.05997	0.4
110.09679	1.0
110.97581	1.2
112.99117	0.5
113.03605	0.5
116.98612	3.0
119.00172	0.5
119.01894	5.0
120.03439	0.4
124.07603	4.9
124.11228	6.9
125.14094	0.3
126.09130	0.6
127.03905	0.8
128.02321	0.8
128.07054	0.9
128.98624	1.0
129.02106	0.4
131.00175	0.5
131.01830	0.3
131.99701	0.4
133.01727	0.5
133.05141	0.4
134.99666	2.2
135.03128	0.6
137.01958	0.3
137.02928	1.4
139.03239	0.3
140.02296	0.7
140.07042	0.4
141.07864	0.5
142.01915	0.4
142.08624	38.7
143.00201	0.7
143.08932	0.4
144.98103	0.4
146.02264	0.4
146.99634	1.6
147.03148	0.5
148.03856	1.2
149.01183	0.6
150.09122	0.4
150.12726	0.7
154.08624	27.2
154.12177	0.9
155.02888	0.4
155.09361	1.3
157.04370	0.5
158.69754	0.3
158.99638	0.8
159.03177	0.5
160.02759	0.6
161.01207	0.7
162.03572	0.8
162.99136	0.6
163.02924	0.7
163.04372	1.3
165.00703	0.8
166.12328	0.8
168.03629	0.6
168.13831	3.7
169.13277	0.8
172.02885	0.6
172.09676	49.5
173.01123	0.7
176.05179	1.0
177.00691	0.8
177.04099	0.8
178.04982	0.8
178.08577	0.6
178.12256	0.7
184.13258	0.6
186.09753	0.6
187.00291	0.4
189.00595	0.4
189.04240	0.6
190.98618	1.0
191.02264	0.6
191.03963	0.4
196.09648	1.2
196.11543	0.7
196.13318	11.0
197.09055	0.4
198.04625	0.7
201.00803	0.4
204.05331	0.5
207.05269	0.7
208.99692	1.0
214.05962	1.0
214.10828	3.1
214.14363	100.0
215.13905	2.4
219.01718	0.6
223.06557	0.6
225.06412	0.4
232.04881	0.9
232.10371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01855	0.6
55.05499	1.1
56.05014	0.8
56.96549	2.1
57.03424	1.3
58.06591	8.4
61.02894	1.0
62.58301	0.5
67.05488	1.1
69.03423	1.1
69.66685	3.8
69.67022	0.7
70.06579	8.5
70.49873	0.5
71.04971	0.6
72.08138	1.9
73.02893	1.9
79.05474	1.7
81.03393	1.3
81.07042	1.0
82.06529	1.1
83.04973	0.5
84.04496	0.6
84.08139	4.0
84.96013	0.5
85.02881	1.9
88.07610	0.4
91.05458	0.9
93.07027	1.4
94.06551	1.1
95.06063	0.8
95.08553	0.5
95.46971	0.5
96.07543	0.8
96.08120	10.4
97.07644	0.7
98.09670	4.8
98.97567	1.5
99.04394	0.6
100.05247	0.6
100.07594	0.5
101.00891	0.7
102.83936	0.5
106.26441	0.5
107.08545	1.0
108.08097	1.0
109.07612	1.2
110.09685	0.8
116.07043	0.7
116.56258	0.5
116.98603	1.5
119.01949	1.1
122.09637	0.7
123.08053	0.5
124.07581	4.4
124.11216	9.8
126.09137	0.8
128.98563	0.6
136.07562	0.5
139.07599	0.5
142.08615	34.1
142.12239	3.6
145.03355	0.7
146.99474	0.5
150.12744	0.8
154.08612	32.0
154.12227	7.6
155.09334	1.7
158.30640	0.5
161.02953	0.7
165.00674	0.8
166.12291	0.6
168.07748	0.6
168.10144	0.8
168.11411	0.7
168.13817	3.6
169.13297	5.1
170.59251	0.5
172.09673	40.7
172.13293	22.6
172.14822	0.7
173.10042	1.0
177.00737	0.5
178.12337	1.1
184.13335	0.5
186.04553	0.4
196.09628	0.9
196.13297	11.2
196.16919	1.7
214.14363	100.0
214.17856	33.1
215.13858	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	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.33842	0.7
55.01859	3.5
55.05508	10.4
56.96548	1.3
57.03431	1.6
57.07059	2.7
67.05491	6.8
69.03422	3.1
69.07059	16.8
70.06584	1.3
71.04982	5.1
71.62782	0.9
72.08135	1.3
79.05485	7.0
81.07053	20.5
83.04980	1.4
83.08612	10.6
85.02901	1.0
85.06543	5.7
88.07603	0.8
91.05450	5.0
93.07041	17.1
95.04961	2.3
95.08601	36.2
97.02866	1.2
97.06512	2.3
97.10168	7.8
99.04441	1.3
99.08086	34.5
102.36749	0.7
103.05473	1.0
105.07027	6.3
107.04942	4.2
107.08589	34.5
107.98657	0.7
109.06515	1.4
109.10157	11.7
109.10844	1.5
111.07362	1.2
111.08080	17.9
113.09653	4.1
115.05420	1.3
117.07003	1.2
119.04921	1.1
119.08555	3.4
121.06527	1.3
121.10133	58.7
123.08032	1.8
123.11674	2.4
125.09615	7.3
125.13216	0.8
128.06177	3.2
129.06975	3.5
131.08554	3.3
133.10159	1.3
135.08035	1.5
135.10808	1.2
135.11700	13.4
137.09607	0.9
137.13251	8.2
139.11147	2.7
141.06966	1.9
142.07745	3.2
143.08534	9.4
145.10040	1.2
148.97273	1.1
149.09605	2.1
149.13243	5.0
152.06186	1.0
153.05469	1.0
153.06970	1.0
155.08580	6.0
156.09348	1.8
157.06496	2.6
157.10156	7.0
159.11633	1.7
163.07556	1.3
165.06979	5.2
167.07030	5.6
167.08557	2.5
167.10686	1.3
169.07574	1.6
169.10107	2.4
170.07231	1.1
170.10814	2.2
171.08017	3.2
171.11681	4.1
177.09111	1.9
177.16374	100.0
178.16658	0.9
179.08530	1.3
180.09293	4.5
184.05180	2.6
185.07124	1.7
185.09613	1.9
185.13248	6.4
195.08104	2.2
195.10197	1.1
195.11711	12.4
195.13541	1.1
195.17421	16.5
213.05322	1.2
213.09343	7.1
213.12700	18.0
213.16331	5.2
213.18471	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	214.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81919	1.8
53.03952	3.7
53.06240	1.9
55.01873	5.2
55.05515	4.5
56.05033	3.2
56.96562	100.0
57.02979	1.9
57.03440	17.0
59.04992	2.3
60.95851	2.8
61.02927	25.9
61.03213	3.0
67.05499	3.3
69.03422	16.7
69.07025	1.7
70.06593	7.1
71.04981	6.1
71.95255	2.6
73.02910	20.9
74.97604	3.3
75.04485	2.2
77.73017	1.7
81.03419	10.8
81.07055	2.3
82.06581	4.3
83.05004	2.5
83.06117	2.4
83.07405	1.8
84.04498	2.2
84.08131	8.3
84.96033	5.2
85.02895	35.0
85.03356	2.8
86.03693	3.9
87.04475	3.8
94.06548	3.0
95.01343	2.0
95.04954	5.1
95.06109	5.4
95.08659	2.0
96.08146	7.1
97.02905	8.3
97.07655	5.5
98.03205	2.3
98.20757	3.7
98.97602	11.0
99.04469	5.3
100.00941	2.1
100.02469	2.0
100.07619	2.9
100.99154	7.8
101.00880	5.0
102.96918	5.8
109.02915	6.3
110.07180	2.4
110.97559	3.7
111.05566	2.1
112.05914	2.6
113.02387	6.3
116.98618	11.9
118.01120	2.6
118.03591	1.9
119.00179	24.5
119.01897	21.6
120.03483	2.9
120.97939	4.0
121.01505	4.6
122.02100	1.9
122.06044	7.6
124.03904	6.4
124.07603	3.7
124.08733	7.0
124.11234	4.8
126.02642	1.8
126.05524	3.0
127.03922	9.5
128.02284	3.4
128.98613	8.0
129.04086	2.2
130.01964	3.8
131.00214	3.2
131.01932	6.8
132.97919	5.5
133.01558	3.3
133.03413	4.0
134.99669	8.4
136.03836	1.9
137.01263	5.6
137.02925	6.1
138.05507	2.4
138.98990	3.8
139.01596	2.0
139.02655	2.4
140.07104	8.3
141.00087	5.2
142.01985	5.0
142.03522	2.4
142.08620	14.1
143.01923	2.8
144.08855	2.8
144.98116	5.9
144.99892	2.1
145.02428	2.2
145.03485	4.7
146.99657	23.9
148.02002	3.7
149.01277	3.3
149.02937	3.9
150.05540	8.6
150.99005	5.1
151.02545	3.0
152.07114	2.6
154.01955	3.1
154.08604	14.4
155.01848	2.2
155.02922	2.7
157.02449	2.6
157.03583	4.5
158.02689	3.5
158.83554	2.2
160.97554	2.0
161.01184	4.0
161.02972	7.9
162.99138	24.4
163.02525	4.2
163.04541	3.0
165.00706	24.4
168.01422	3.5
168.06592	17.3
168.07747	4.7
168.10179	4.5
168.13852	2.4
172.04623	2.6
172.09686	21.5
172.97577	3.6
173.01317	2.5
173.02943	4.2
175.04593	4.4
177.00726	4.7
177.02376	2.6
177.04158	2.4
178.05052	5.7
181.00131	7.8
183.01764	15.3
185.02864	4.1
186.13634	5.1
187.00928	3.6
187.02605	2.4
190.98631	20.5
191.02348	3.2
193.00113	6.1
193.03639	3.4
196.05980	13.7
196.09749	4.4
196.12000	4.8
196.13519	3.7
196.99352	2.2
200.04121	4.9
201.02525	2.6
202.04057	2.1
203.04034	3.6
205.00201	2.4
208.99681	46.4
209.03307	1.9
214.05304	3.3
214.07109	5.8
214.08679	3.7
214.10730	27.8
214.14438	62.9
214.16028	2.5
214.21568	3.6
221.05264	2.4
223.06577	3.1
227.00790	7.9
229.13728	2.3
232.01419	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01876	4.4
55.05292	0.9
55.05508	9.7
56.96550	1.0
57.07055	2.9
57.23158	0.7
63.56149	0.8
67.05497	7.1
69.03420	3.9
69.07063	21.0
69.36343	5.7
69.36771	3.4
70.06584	1.4
71.04989	5.1
72.08126	2.4
79.05495	9.2
81.07056	20.6
83.04983	1.5
83.08613	11.7
85.02874	1.2
85.06538	6.3
88.07614	1.6
89.10873	0.8
91.05466	6.4
93.07047	17.9
95.04937	2.3
95.08602	35.4
97.06504	2.4
97.10164	9.4
99.04476	1.0
99.08088	33.8
105.07024	8.2
107.04943	5.9
107.08588	39.2
109.02823	0.9
109.06497	2.0
109.10156	9.7
111.08070	16.8
112.11269	1.0
113.09613	3.1
115.05521	1.0
117.06990	1.4
119.04949	1.6
119.08602	5.1
121.06528	1.0
121.10138	62.3
123.04430	1.2
123.08030	1.7
123.11711	1.5
125.09634	6.2
128.06203	3.2
129.06984	3.7
131.08540	3.0
133.10101	1.2
135.08022	2.0
135.11688	13.1
137.13240	8.4
139.11124	2.3
141.06938	1.5
142.07736	3.4
143.08553	10.0
143.84981	0.8
145.06454	1.5
145.10060	2.3
147.11642	0.8
149.09593	3.0
149.13242	5.3
152.06223	1.3
153.06877	1.7
155.08524	4.0
156.09259	1.8
157.06479	2.9
157.10123	13.0
159.11647	1.7
163.07451	1.8
165.07028	5.0
167.07024	7.9
167.08534	3.1
167.10739	1.7
169.07520	2.9
169.10107	2.2
170.07259	0.9
170.10960	1.8
171.08023	4.7
171.11694	4.1
177.09109	2.9
177.16380	100.0
178.16765	1.6
179.08527	1.0
180.09285	6.0
183.11624	1.0
184.05246	2.1
185.07063	3.1
185.09615	2.8
185.13246	10.1
192.87132	0.9
195.08026	2.4
195.10115	3.2
195.11684	14.0
195.13583	1.6
195.17436	15.7
196.89874	0.8
198.06880	1.0
198.10300	1.2
211.81688	0.8
213.05516	2.6
213.09398	8.0
213.11067	2.3
213.12665	15.0
213.16380	7.9
213.18486	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	213.1484
Annotation	Modiolin
Peak:m/z	Relative Intensity
55.01869	1.5
55.05500	8.6
57.03426	3.5
57.07068	3.2
60.26115	0.9
67.05503	5.5
69.03419	2.2
69.07060	7.9
69.72614	6.0
70.06585	2.7
71.04993	1.6
79.05483	5.0
81.03434	1.1
81.07048	14.1
83.04984	2.7
83.08608	4.6
85.02888	1.1
85.06542	3.4
91.05441	4.6
93.07031	10.4
95.04990	1.8
95.08598	16.4
97.06550	2.1
97.10150	2.6
98.97575	1.0
99.04436	0.9
99.08080	5.8
105.07014	5.0
107.04943	2.9
107.08586	20.9
109.02882	1.6
109.06507	6.6
109.10148	19.5
111.04401	1.9
111.08073	4.6
113.09620	1.3
116.98570	1.1
119.08546	5.2
121.06518	2.3
121.10130	27.3
123.08053	5.5
123.11678	7.1
125.05981	100.0
125.09592	4.6
126.06301	0.9
127.07522	6.8
128.06236	3.0
129.07022	2.8
130.64803	0.8
131.08565	3.1
133.10127	1.4
135.04372	1.2
135.08017	5.5
135.11661	4.3
136.08823	2.2
137.13255	1.3
139.07538	1.4
139.11128	1.1
141.06924	1.1
142.07768	3.7
143.08533	7.6
144.09328	2.4
145.10216	1.2
149.09619	8.8
149.13228	14.7
149.14342	1.0
151.14822	5.9
153.09065	4.0
153.12724	0.9
155.08580	4.5
156.09323	1.4
157.06519	2.0
157.10098	8.5
159.11656	4.9
160.81845	0.9
165.07001	3.3
167.07037	3.2
167.08490	1.6
167.10635	1.5
167.14302	14.4
167.15596	1.4
169.07642	1.0
169.10110	1.9
170.10857	1.6
171.08046	3.1
171.11671	3.4
177.09026	1.7
177.12755	9.0
177.16380	18.9
180.09262	4.5
185.07097	14.4
185.09593	1.7
185.13277	6.1
195.08188	1.4
195.10115	2.6
195.11758	9.8
195.13809	51.0
195.17477	4.3
196.14076	0.9
198.00890	0.9
198.06784	1.0
213.06799	8.3
213.09134	3.5
213.11127	2.1
213.12820	16.0
213.16420	6.1
213.18398	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	213.1483
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03939	0.9
55.05505	15.9
56.96558	1.0
57.03415	1.1
57.07072	8.4
67.05502	4.9
69.03431	2.0
69.07059	3.6
69.76794	0.6
70.68615	2.2
70.68932	0.7
71.04968	1.1
71.08643	0.9
79.05472	3.6
81.07056	6.5
83.04968	6.9
83.08636	1.2
84.08639	0.7
85.06541	5.5
85.20773	0.7
88.07591	0.9
91.05476	3.9
91.37834	0.7
93.07033	13.6
95.04952	1.5
95.08595	10.4
97.06505	5.5
99.08125	0.8
103.97588	0.8
105.07001	4.2
107.04926	0.9
107.08588	16.1
109.06519	4.9
109.10150	3.2
111.04431	100.0
111.08054	5.3
113.05981	1.4
117.07005	2.0
119.08549	2.3
121.06491	2.0
121.10136	2.8
122.07318	0.8
123.08025	1.7
125.05986	28.9
127.07555	2.7
128.06229	1.7
129.06987	1.3
130.07773	2.6
135.08044	15.3
135.11678	22.7
137.13251	1.7
139.07542	4.2
140.74809	0.6
142.07794	1.2
143.08560	5.0
145.10101	16.8
153.07018	0.9
153.12729	5.4
155.08571	2.4
157.10161	3.3
163.11160	26.0
165.06973	2.6
167.07004	0.8
169.10042	1.4
171.08015	2.0
171.11748	1.1
177.09161	0.8
180.09305	3.1
181.12218	56.3
182.12526	1.4
185.13164	3.4
195.11700	5.7
195.13799	4.7
213.09215	1.4
213.12790	8.3
213.14694	1.1
213.16533	1.4
234.32724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03938	2.5
55.01851	5.1
55.05504	19.4
55.84099	2.0
56.96547	4.1
57.03434	11.9
57.07055	6.3
67.05499	73.1
69.03423	5.2
69.06710	2.8
69.07062	30.2
69.83039	9.2
70.06579	2.8
71.01348	2.1
71.04983	9.5
79.05061	3.0
79.05492	42.1
81.03368	3.2
81.07053	100.0
83.04966	12.9
83.08614	16.4
85.06522	7.9
88.07613	7.4
91.05472	20.7
93.07037	70.3
93.07626	4.0
95.04958	10.3
95.08607	22.4
97.06522	17.8
97.10193	2.7
99.08089	7.6
105.07040	15.0
107.04946	6.0
107.08598	36.6
109.06523	5.5
109.10177	5.0
111.08069	12.1
115.05429	2.1
117.06987	9.7
119.08599	8.4
121.06528	3.1
121.10130	25.3
123.08099	2.9
123.11693	1.7
125.05984	2.7
125.09622	4.0
127.03854	2.1
128.06238	10.8
129.06981	11.4
131.08565	15.2
133.10156	9.1
135.08054	4.2
135.11670	16.0
139.07524	2.5
141.06999	3.6
142.07780	9.6
143.08551	28.1
144.09300	2.0
145.10185	1.9
148.97369	2.4
149.13249	60.5
153.06985	3.2
155.08536	11.9
156.09332	6.0
157.06447	5.6
157.10107	28.5
159.11703	20.9
165.07019	17.5
167.07048	5.6
167.08586	6.1
167.10741	2.0
167.14247	2.6
169.10086	9.8
170.10925	3.8
170.28363	2.0
171.08055	9.9
171.11690	8.8
177.09111	2.3
177.12717	12.2
177.16376	2.7
180.09303	20.3
183.08098	3.0
185.07187	2.8
185.09697	4.9
185.13243	25.5
195.08083	3.7
195.10165	3.5
195.11707	40.4
195.13783	14.2
198.06734	2.0
198.10405	5.6
213.05365	2.7
213.07072	3.0
213.09467	11.0
213.10841	3.3
213.12752	64.8
213.16177	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	213.1483
Annotation	Modiolin
Peak:m/z	Relative Intensity
50.50869	0.3
51.97768	0.2
53.03940	0.5
55.01871	0.6
55.05502	5.4
56.96555	0.6
57.03432	1.9
57.07068	1.9
59.04992	0.6
65.03941	0.4
67.05496	5.1
67.86687	0.2
69.03419	1.2
69.03758	0.2
69.07059	4.1
70.56657	0.2
71.04984	3.3
71.08624	0.6
77.03893	0.3
79.05479	3.5
81.07046	8.7
81.07514	0.5
83.04975	1.6
83.08614	1.9
85.06540	1.8
87.04484	0.3
88.07617	0.3
91.05466	2.4
93.07033	5.9
95.04962	0.8
95.08600	9.6
97.06532	1.4
97.10178	0.4
99.08084	1.1
101.66403	0.3
105.07018	3.5
107.04953	0.9
107.08584	16.1
109.06508	4.7
109.10145	16.4
111.04443	1.3
111.08066	1.5
113.05954	0.3
115.05454	0.4
117.07002	1.3
119.08566	3.5
121.06480	1.2
121.10129	16.5
123.04377	0.3
123.08054	4.6
123.11695	7.4
125.05978	100.0
125.09585	3.7
125.13252	0.9
126.06296	0.7
127.07535	4.1
128.06212	1.0
129.06987	1.5
131.08545	1.9
131.70111	0.3
133.10098	1.3
135.08044	9.8
135.11671	2.5
136.08867	1.6
137.09578	0.8
137.13225	0.4
139.07518	1.4
139.11150	0.7
141.06982	0.6
141.09079	0.4
142.07744	1.5
143.08542	3.1
144.09344	1.4
145.06522	0.3
145.10146	0.6
147.08038	0.4
149.09601	7.1
149.13239	14.2
151.14806	4.8
153.06952	0.2
153.09090	3.3
153.12704	0.4
155.08543	1.6
156.09299	0.7
157.06494	0.8
157.10135	3.6
159.11685	4.6
162.10373	0.4
165.07002	1.8
167.06992	0.9
167.08528	0.7
167.14297	16.7
168.14644	0.3
169.07565	0.6
169.10107	0.8
170.10905	0.6
171.06747	0.3
171.08057	1.4
171.11641	1.0
177.12730	13.0
177.16344	1.6
180.09299	1.3
183.08252	0.3
185.07146	0.4
185.09604	0.6
185.13249	2.6
195.08049	1.1
195.11728	4.6
195.13770	38.3
195.17374	1.5
196.14073	0.5
198.10370	0.6
207.43477	0.3
213.05437	0.5
213.09348	2.2
213.12698	6.3
213.14809	15.0
213.16246	1.2
213.18282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
50.43641	0.7
53.03937	1.2
53.39914	0.6
53.64315	0.8
55.01858	2.3
55.05495	3.5
56.96547	1.5
57.03429	1.8
57.07069	1.4
59.04985	1.1
67.05502	4.3
69.03422	4.4
69.07062	4.8
70.06555	2.5
70.61819	2.3
71.04974	3.4
72.08128	2.4
79.05487	11.8
81.06623	1.2
81.07043	9.7
83.04952	2.3
83.08607	1.6
85.06535	3.0
85.87923	0.8
86.09679	1.8
88.07632	1.2
88.35416	0.7
91.05471	11.5
93.07032	20.5
95.04950	3.7
95.08601	14.2
97.06508	2.4
97.10140	1.5
97.68672	0.8
98.02157	0.7
98.97545	1.2
99.04443	1.0
99.08053	1.5
100.07626	1.1
103.05434	1.1
105.04544	0.8
105.07018	22.9
106.07820	0.9
107.04946	4.6
107.08585	43.5
109.06519	9.7
109.10114	3.3
111.04431	1.3
111.08048	2.0
113.06026	1.2
115.05441	2.3
116.98619	1.5
117.07006	1.9
119.04892	2.7
119.08563	7.5
119.87291	0.8
120.06349	0.8
121.06516	3.8
121.10130	93.9
122.10451	1.0
122.66726	0.9
123.08058	42.9
123.11669	1.2
125.05963	2.2
125.09630	6.6
127.03938	1.3
128.06198	3.0
128.07039	1.1
129.07022	4.3
131.08566	10.6
133.06491	1.4
133.07553	1.4
133.10114	2.8
134.99667	0.9
135.08043	6.7
135.11662	1.9
139.11203	2.4
141.06931	1.5
142.07756	2.9
143.08540	10.4
145.06482	1.1
145.10112	1.1
147.08044	1.3
148.97342	2.2
149.09607	67.8
151.07552	1.4
151.11154	2.4
152.06117	1.2
153.05475	0.9
153.06996	1.6
153.09087	3.1
155.08501	4.8
156.09341	1.8
157.06482	2.8
157.10100	10.2
159.08035	2.5
159.11694	1.0
163.07524	2.1
165.07024	6.7
166.07666	0.7
167.07005	5.4
167.08498	3.3
167.10660	22.0
168.13820	2.5
169.08620	31.7
169.10046	2.6
170.10869	2.2
171.08037	4.0
171.11656	3.1
177.09093	100.0
177.16344	2.1
178.09464	1.6
179.08505	1.0
180.09317	5.5
183.08023	1.7
184.05205	1.4
184.09035	0.9
185.07115	2.2
185.09572	2.1
185.13258	8.4
195.06502	1.1
195.10138	35.4
195.11722	13.3
195.13722	1.9
195.17474	1.1
196.10547	1.1
196.13342	3.7
198.10379	2.2
213.05516	3.5
213.06888	2.0
213.09093	8.1
213.11197	84.8
213.12769	13.8
213.16144	2.0
214.11417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	Modiolin
Peak:m/z	Relative Intensity
53.03932	0.7
55.01857	1.0
55.05503	7.2
56.96557	1.3
57.03432	3.2
57.07083	2.5
59.04983	1.0
65.03918	0.6
67.05496	6.4
69.03426	2.1
69.07059	4.9
69.65127	0.7
69.65538	2.1
70.06574	0.4
71.04984	3.9
71.08601	0.7
73.06518	0.4
73.11302	0.3
73.32220	0.4
77.68845	0.4
79.05485	4.7
81.03406	1.0
81.07046	12.4
83.04977	2.5
83.08603	2.8
85.02882	0.6
85.06527	2.2
88.07639	1.0
91.05463	3.6
93.07035	8.1
95.04939	1.2
95.08597	11.4
97.06522	2.1
97.10162	0.8
99.08083	1.5
103.05419	0.4
105.07006	5.1
105.61420	0.4
107.04950	1.3
107.08582	17.0
109.02880	0.5
109.06496	4.1
109.10145	19.4
111.04435	2.0
111.08073	2.7
113.09605	0.4
117.07014	1.5
119.04892	0.7
119.08562	4.3
121.06480	1.6
121.10130	17.7
123.04462	0.4
123.08057	4.5
123.11695	7.4
125.05975	100.0
125.09594	4.0
125.13212	0.4
126.06350	1.4
127.03902	0.9
127.07557	4.1
128.06209	1.7
129.06981	2.5
131.04854	0.4
131.08574	2.6
133.10153	1.0
134.59305	0.3
135.08040	10.3
135.11674	2.9
136.08830	2.0
137.09615	1.0
137.13257	0.6
139.07527	1.6
139.11150	0.7
141.06921	0.6
141.09143	0.5
142.07770	2.1
143.08537	4.4
144.09288	1.7
145.10129	0.6
147.08022	0.4
149.09601	8.0
149.10716	0.5
149.13245	16.0
150.13641	0.3
151.14821	5.4
152.06152	0.3
153.05510	0.4
153.07036	0.4
153.09071	3.9
153.12660	0.5
155.08568	2.0
156.09341	0.7
157.06503	0.8
157.10101	5.0
159.11653	5.4
160.92557	0.3
163.07501	0.6
165.06978	2.9
166.07744	0.4
167.07033	1.8
167.08586	1.1
167.14301	15.1
169.06328	0.4
169.07608	1.0
169.10143	1.4
170.10919	1.0
171.06847	0.4
171.08017	2.1
171.11700	2.7
177.09137	0.6
177.12726	14.3
177.14226	0.8
177.16333	3.0
179.08572	0.4
180.09282	2.8
185.07208	0.5
185.09628	0.7
185.13271	3.6
186.13498	0.4
195.08012	1.3
195.10081	1.1
195.11752	6.3
195.13765	39.5
195.17516	2.2
196.14265	0.4
198.06699	0.4
198.10504	0.4
213.05478	1.1
213.09328	2.7
213.10866	0.6
213.12735	9.4
213.14838	14.0
213.16402	2.4
213.18307	0.6
214.10590	0.4
221.97368	0.4
229.06442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03937	0.7
53.25772	0.5
55.01859	1.0
57.02645	0.4
57.37558	0.4
63.32365	0.5
63.60947	0.4
70.87667	1.3
78.04713	2.1
79.05487	7.7
81.07063	0.6
91.05482	3.8
93.07009	1.0
95.04970	2.6
98.97584	0.7
103.05454	7.4
105.04544	0.5
105.07021	5.7
106.04166	0.8
106.05288	0.4
107.04950	52.9
107.08607	2.8
109.06501	0.7
111.04416	0.5
115.05458	3.9
117.06984	1.3
119.04919	0.6
119.08577	2.4
120.05695	1.9
121.06490	1.1
121.10136	1.7
123.04428	4.5
124.05215	3.1
125.05979	1.3
131.04916	1.9
131.08572	0.9
133.06479	1.3
135.08044	16.0
137.05978	1.4
143.08572	0.9
145.07593	1.1
147.04402	0.6
149.06042	0.5
149.09618	1.5
151.03879	1.1
151.07486	0.5
152.04680	1.9
152.26910	0.6
154.06253	2.1
155.08606	0.6
157.10077	0.5
163.07536	27.6
165.05479	0.5
165.09070	0.6
167.07033	100.0
168.07320	0.6
171.08057	0.8
177.09129	1.8
180.07768	3.0
180.09195	0.7
185.13303	1.0
195.08357	1.0
195.10161	18.4
195.11671	1.2
212.46236	0.5
213.11200	6.6
213.12836	1.1
231.05334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03941	1.5
55.01859	3.4
55.05507	8.7
56.96556	6.1
57.03426	3.8
57.07073	2.2
58.06605	1.2
59.06119	1.2
65.03932	2.4
67.05493	9.2
68.05017	1.2
69.03423	4.6
69.07062	8.4
70.06590	8.9
71.01348	1.2
71.04983	2.4
71.62341	1.9
72.08139	4.8
72.93805	1.5
73.02919	2.8
77.31722	1.0
79.05487	18.8
81.03411	3.7
81.07050	10.1
83.04967	4.9
83.06092	2.4
83.08598	2.2
84.04513	2.1
84.08140	2.9
85.02883	3.4
85.06556	2.2
86.09699	3.4
88.07625	3.5
91.05470	42.1
93.07033	33.0
95.04960	10.2
95.08604	7.1
97.02869	3.0
97.06533	3.7
97.10159	2.1
98.97577	3.7
99.04456	2.7
103.05447	3.3
105.07021	50.2
107.04950	14.5
107.08582	89.2
109.02857	1.9
109.06501	8.5
109.10159	3.7
110.05984	1.5
110.07204	1.4
111.04416	2.7
111.08055	3.0
113.05970	1.6
115.05476	2.0
116.06247	3.3
116.98630	3.3
117.07017	5.0
119.04954	11.4
119.08570	100.0
120.05709	1.0
120.08914	1.6
121.02802	1.9
121.06487	4.8
121.10135	42.3
122.06045	1.7
123.04437	4.4
123.08051	11.6
123.11672	2.2
125.05964	5.5
125.09617	4.6
127.03928	2.1
128.06226	4.5
129.06985	10.4
130.96310	2.0
131.08557	41.5
133.06508	5.4
133.10112	9.7
134.99641	6.0
135.04425	3.4
135.08040	20.9
135.11659	2.1
136.07600	1.5
137.05994	3.9
137.09590	2.2
139.03926	1.7
139.07492	1.5
139.09697	1.0
139.11121	1.7
140.04683	1.3
140.07059	3.2
141.06987	2.8
142.07784	5.0
143.08545	16.4
144.04729	2.9
145.05115	4.1
145.06395	1.9
145.10110	1.8
147.04401	2.0
147.08028	41.2
148.97365	7.0
149.06003	2.0
149.09607	52.8
151.03870	1.6
151.07521	5.0
151.11163	4.2
153.05478	7.3
153.06667	1.5
153.09088	6.5
155.08531	8.0
156.09355	3.0
157.06471	4.8
157.10046	10.3
159.08037	12.9
159.11720	1.9
163.07552	3.9
165.07005	11.5
165.09105	34.9
166.07549	1.6
167.07072	18.5
167.08545	2.9
167.10651	14.2
167.97195	1.5
169.10158	2.9
170.10896	3.9
171.08022	7.0
171.11700	3.7
177.09091	46.0
177.16492	1.5
179.08473	2.1
180.09297	14.5
181.08571	1.5
183.11671	1.4
185.07275	1.8
185.09607	2.9
185.13214	13.2
189.97641	1.5
195.10153	56.2
195.11749	25.7
198.06474	1.3
198.10376	1.7
201.05934	1.2
207.06387	1.9
207.98854	1.5
213.06639	6.3
213.08968	8.1
213.11211	65.9
213.12846	25.8
213.16585	1.8
214.10739	2.1
219.05818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1119
Annotation	Melazolide A
Peak:m/z	Relative Intensity
50.13334	1.7
53.03918	2.6
55.01863	7.7
55.02957	1.6
55.05503	11.7
56.05019	2.7
56.96566	13.1
57.03418	5.6
57.07058	3.1
59.04979	2.4
60.04516	1.6
61.02915	2.2
62.26592	1.4
65.03928	2.3
67.05495	9.4
69.03412	13.3
69.07053	7.4
70.06599	10.0
70.95933	1.4
71.01331	2.0
71.04982	5.7
71.60764	2.8
72.08143	9.3
73.02895	7.5
77.03891	1.7
79.05479	22.1
81.03400	6.6
81.06716	1.2
81.07047	13.3
82.06577	2.0
83.04967	5.6
83.08609	4.7
84.08113	2.6
85.02888	6.3
86.09709	3.8
87.33689	1.4
88.07617	7.6
91.05470	88.1
93.07037	32.1
95.04945	14.3
95.08576	8.9
97.02880	7.1
97.06534	4.5
98.97582	8.4
99.04428	4.5
103.05463	5.1
105.03413	1.7
105.07018	46.8
107.04942	22.1
107.08585	65.8
109.02865	4.5
109.06506	13.2
109.10145	9.8
110.07150	3.4
111.04411	5.9
111.08078	4.6
115.05447	3.9
116.06266	3.5
116.98630	7.5
117.07014	5.2
119.01888	2.9
119.04932	73.2
119.08569	100.0
120.05696	6.9
121.02819	4.3
121.06470	4.9
121.10129	41.2
123.04392	4.6
123.08075	15.0
125.05978	4.2
125.09602	4.8
127.03890	5.1
128.06221	9.0
128.98590	3.2
129.07010	17.9
131.08557	45.2
133.06456	7.3
133.10136	9.6
134.99632	8.9
135.04411	6.8
135.08031	19.2
137.05919	3.8
137.09616	6.0
139.03882	2.7
139.07498	3.2
140.04799	2.6
141.05408	2.3
141.06992	5.2
142.07768	11.6
143.08549	31.5
145.06439	3.3
145.10129	3.0
146.99638	6.0
147.08038	29.4
148.97363	9.3
149.05980	3.1
149.09593	46.1
151.03873	3.7
151.07520	6.8
152.06233	4.4
153.05455	9.1
153.06935	3.4
153.09065	5.9
154.07724	2.4
155.07220	2.4
155.08502	19.7
156.09322	6.5
157.06480	10.4
157.10100	28.1
158.99643	2.4
159.08017	12.2
159.11665	4.1
161.01239	2.4
161.02956	2.5
163.03941	1.7
163.07520	3.6
165.06978	27.2
165.09096	28.7
166.07649	2.9
167.03592	1.7
167.05855	2.2
167.07021	24.2
167.08540	12.5
167.10663	18.0
169.06355	2.2
169.07646	3.7
169.10030	8.6
170.10941	8.0
171.08014	20.7
171.11703	9.2
176.06184	2.1
177.00674	7.0
177.06932	3.5
177.09087	49.7
179.08519	2.3
180.09303	23.7
181.04993	2.2
183.11548	2.2
185.07175	10.4
185.09642	5.6
185.13248	34.3
189.55679	8.4
193.06104	2.6
195.02939	1.9
195.06641	2.7
195.08055	8.4
195.10123	48.3
195.11699	62.2
198.10387	4.2
202.06772	9.4
211.07224	3.0
213.06653	8.8
213.08980	25.9
213.11162	77.8
213.12772	59.8
213.15788	2.3
213.18369	1.6
216.05450	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03935	2.3
53.38697	0.9
55.01860	2.4
55.05506	4.5
56.96561	11.9
57.03423	4.7
61.02910	2.8
65.03941	1.0
67.05512	2.2
69.02129	1.1
69.03427	13.6
69.07047	3.1
70.06571	4.3
70.75864	3.9
71.04984	3.1
72.08140	3.4
73.02893	3.5
74.25120	1.0
79.05486	12.2
81.03399	4.0
81.07059	5.3
83.04989	2.6
84.08141	1.8
85.02901	13.4
86.09670	2.8
87.04456	3.2
91.05473	24.6
93.07041	27.4
95.04953	4.6
95.08591	3.7
96.08131	1.5
97.02902	5.0
97.06501	3.9
98.97567	4.7
99.04437	1.2
103.05444	2.1
105.07024	39.5
107.04963	8.1
107.08588	58.8
109.02864	3.2
109.06529	5.8
109.10139	1.5
111.04394	2.1
114.09140	1.9
116.06224	1.7
116.98604	4.8
117.07009	4.0
119.04941	5.6
119.08574	100.0
121.06496	4.6
121.10133	41.1
121.11003	2.1
122.98994	1.1
123.04364	1.2
123.08041	4.3
123.11732	1.2
125.05998	2.0
125.09619	1.5
127.03887	3.2
128.06235	1.3
128.98639	1.9
129.07001	5.6
131.08557	35.7
133.06476	13.8
133.10121	14.6
134.99635	2.7
135.04382	2.7
135.07109	1.4
135.08055	15.1
135.11626	1.4
137.05934	1.3
138.79732	1.0
139.07567	1.1
142.07681	1.8
142.08652	3.3
143.00203	1.6
143.08556	5.3
146.99641	2.4
147.04372	1.1
147.08037	18.7
148.97275	2.5
149.09610	56.3
150.54028	1.3
151.07535	11.2
151.54887	1.1
153.05428	5.3
153.09076	3.9
155.08524	3.2
156.09344	1.4
157.10075	3.7
158.53891	3.2
159.08043	7.1
161.01230	1.1
163.02690	1.4
163.07584	2.3
165.06976	4.7
165.09093	21.1
167.07031	6.2
167.08487	2.2
167.09215	1.4
167.10660	20.4
169.10110	1.2
170.10925	1.3
171.08029	3.0
171.54662	3.8
177.00743	1.6
177.09105	69.9
180.09349	5.2
180.55222	8.4
181.03638	1.2
181.05196	1.2
183.10164	1.1
185.07147	5.1
185.09552	1.4
185.13211	5.5
189.04395	1.7
189.55719	85.3
190.05887	14.9
190.55930	2.0
192.05928	2.3
195.10153	54.9
195.11705	9.3
195.13515	1.9
198.04350	5.3
198.56229	3.1
201.06494	11.3
201.56731	1.7
207.05367	3.4
213.06679	5.0
213.09093	4.3
213.11195	61.0
213.12794	9.3
216.05434	39.7
216.07533	1.7
217.05710	2.5
234.06429	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01863	3.9
56.96322	1.9
56.96560	19.6
57.03434	21.5
61.02924	26.3
66.46288	1.7
68.05028	1.7
69.03135	1.9
69.03428	23.7
70.88014	2.4
70.88351	3.7
71.01331	2.3
71.04986	12.3
73.02916	21.0
75.04493	2.4
81.03413	77.4
84.08136	4.4
84.96004	1.9
85.02899	52.5
87.04451	4.8
91.03934	8.1
96.01541	2.2
96.04449	5.4
97.02882	23.3
98.01254	1.8
98.20757	2.1
98.97587	25.8
99.04468	8.2
101.00784	3.4
104.01276	2.7
109.02868	100.0
109.07627	3.7
110.01253	4.1
110.97556	4.7
111.04423	1.8
113.02339	6.2
113.05989	3.6
115.02391	2.0
115.03912	2.3
116.98622	22.1
119.01846	22.1
124.03773	1.9
124.07620	2.3
125.01796	2.5
127.03904	20.8
128.02292	10.8
128.98608	14.8
131.01791	6.5
133.03410	5.4
134.00548	1.8
134.99663	11.8
135.03120	2.3
137.02771	2.2
138.05400	2.2
138.09103	4.6
140.02274	7.0
140.10706	2.6
141.05426	3.6
143.00046	2.8
143.01825	3.7
143.08565	2.1
145.03433	2.8
145.04950	10.1
146.02321	9.5
146.99637	23.0
147.79054	1.7
148.02100	2.6
149.02866	2.2
152.02274	6.4
153.00664	1.7
155.02826	9.4
157.03465	2.5
158.99609	6.7
161.01352	2.8
161.02864	12.6
163.06053	5.8
165.00667	3.5
166.05011	2.3
166.08563	2.4
166.09801	2.1
170.03204	2.4
170.99602	7.4
173.02896	4.9
175.04485	5.5
177.00711	11.4
179.02390	2.7
182.03291	2.1
182.53566	2.0
185.02898	1.9
188.97058	3.5
189.00729	24.2
189.02365	3.1
190.01030	2.6
191.02338	1.7
191.03922	4.7
194.08011	3.0
195.08691	11.6
195.14893	2.3
200.04416	5.5
201.00684	5.0
206.98177	3.4
207.01733	3.5
212.17566	4.4
213.12595	2.0
219.01675	6.1
230.05222	1.8
231.01672	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	212.0915
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03931	1.2
55.01847	1.2
55.05502	1.0
56.05005	0.6
56.96562	5.6
57.03429	4.3
58.06579	0.9
60.04511	0.5
61.02923	2.4
69.03419	4.2
69.07024	0.7
70.06587	6.5
71.01345	0.7
71.04996	2.6
71.06904	0.6
71.51857	0.9
72.08150	3.3
73.02909	4.3
79.05486	1.1
80.04999	0.5
81.03408	13.3
81.07054	1.3
82.06598	0.8
84.08123	3.1
84.96041	0.7
85.02895	7.8
86.09679	0.7
87.04456	0.8
91.03924	0.8
91.05465	1.6
93.07017	1.1
93.93711	0.5
95.04955	0.7
96.04476	2.0
96.08120	1.3
97.02877	5.2
97.06525	3.2
98.06033	1.8
98.06837	2.5
98.09685	1.5
98.97569	6.0
99.04432	2.5
101.00726	0.5
104.01294	0.6
106.06551	0.9
107.04951	0.8
109.02875	14.7
110.01281	0.6
110.09658	0.8
110.97561	1.6
111.04435	1.6
112.07594	0.8
112.51242	0.5
113.06075	0.5
113.81360	0.5
115.03899	0.7
116.07078	0.7
116.98606	4.9
119.01849	3.1
119.04932	1.4
120.08095	1.0
123.04391	0.7
124.07590	2.6
124.11208	1.1
125.01738	0.7
125.05966	2.8
126.06308	2.7
126.09116	1.6
127.03902	4.0
128.02295	1.3
128.98592	4.4
131.01817	0.9
134.06000	13.0
134.99655	2.7
136.06215	0.8
136.07541	2.5
137.06010	1.7
137.08365	1.7
138.05498	1.3
138.09117	2.1
140.02364	2.3
140.07028	0.6
140.10703	1.4
141.05429	0.7
142.08694	0.6
143.00226	0.8
143.01811	1.2
143.08870	0.9
145.01645	0.7
145.04932	2.0
146.02272	1.5
146.99638	4.6
147.03271	0.6
147.04323	2.4
148.03734	0.6
148.07538	4.3
149.02873	0.9
149.05966	2.6
149.07028	0.8
150.05438	0.7
152.02249	1.4
152.07043	28.1
152.10645	0.7
153.05423	2.9
153.07391	0.8
153.51703	0.6
155.02846	1.4
157.10132	0.6
158.99623	1.3
161.01181	1.3
161.02856	3.6
163.06017	1.1
165.00700	1.1
166.08612	30.3
166.09714	2.0
169.13351	0.8
170.03336	0.9
170.08113	0.7
170.11751	1.4
170.99599	2.0
173.02913	0.7
176.03188	0.7
176.07053	6.6
177.00684	2.9
177.05516	0.8
179.02397	0.5
182.03313	2.0
187.02719	0.6
188.92491	0.7
189.00693	4.3
191.03893	1.2
193.62622	0.5
194.08109	100.0
195.06529	1.3
195.08533	3.4
195.11783	1.2
195.14874	0.7
201.00537	0.8
207.01805	1.4
212.09099	60.5
212.12775	3.3
212.14578	6.4
212.16484	2.4
212.17834	1.4
213.09486	0.7
213.12512	1.5
219.01755	1.3
230.08885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	1.1
54.85758	0.6
55.01871	1.4
55.05507	8.2
56.96564	1.3
57.03443	2.2
57.07079	1.4
59.04999	3.4
61.02937	0.5
65.03938	0.6
67.05501	8.3
69.03413	2.4
69.07063	11.2
69.65450	2.9
69.65864	1.0
71.04987	19.0
73.63031	0.5
77.33735	0.5
78.04705	2.3
79.05483	7.4
81.03407	6.0
81.07053	14.6
81.07517	1.1
83.04969	4.3
83.08609	6.7
85.02931	0.6
85.06543	5.3
91.05476	6.9
93.07034	12.6
95.04958	4.6
95.08599	19.7
97.06521	6.6
97.10186	1.4
98.63825	0.5
99.04462	3.5
99.08084	3.3
103.05457	1.0
105.07024	6.7
106.04175	1.5
107.04964	1.2
107.08586	12.4
107.09280	0.9
109.06525	2.7
109.10148	14.5
111.08075	2.8
113.09669	1.4
115.07563	5.3
119.04935	1.0
119.08572	9.4
121.06502	2.1
121.10129	8.7
123.04425	8.1
123.08070	3.7
123.10800	1.2
123.11701	22.1
124.05243	2.5
124.97099	0.6
125.09618	2.3
127.03905	0.6
127.07517	1.2
127.11195	0.7
129.07037	1.2
131.08574	1.1
132.58537	0.5
133.06499	0.9
133.10123	11.6
135.11682	28.8
137.05959	1.8
137.09622	3.4
137.13255	1.5
139.11160	0.6
141.09132	1.3
141.12730	1.8
147.11697	2.8
149.05975	3.9
149.13261	4.5
151.03925	2.3
151.07607	1.0
151.11102	1.0
151.14804	1.5
152.04689	2.2
153.12740	7.0
155.08525	0.8
155.10652	4.0
157.10155	0.9
161.05974	0.9
165.09070	0.6
165.12782	1.0
166.75288	0.5
167.07030	100.0
168.05986	0.5
168.07390	2.9
169.10057	0.7
170.05705	1.3
175.11177	1.9
175.14807	15.9
179.06984	3.6
181.08589	3.0
183.08051	0.9
193.08583	1.9
193.12247	4.1
193.15846	8.0
196.12393	0.6
211.05782	0.8
211.07536	2.5
211.09586	1.5
211.11270	1.2
211.13278	2.1
211.14989	1.5
211.16904	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03933	3.1
55.01876	8.5
55.05508	23.2
56.96567	15.4
57.03429	3.6
57.07077	1.7
59.04989	1.9
61.02905	1.6
61.72159	1.2
65.03940	2.5
67.05500	61.9
69.03432	9.0
69.07059	21.3
69.33839	2.6
69.34241	12.5
71.04984	9.9
72.08159	2.3
78.04709	1.8
79.05486	55.8
79.05952	2.7
81.03419	12.5
81.07054	73.4
83.04977	30.1
83.08606	12.7
84.96037	2.1
85.02880	4.4
85.06563	7.0
87.04471	8.3
91.05477	65.1
93.07037	44.0
93.82938	1.3
95.04963	83.6
95.08598	35.6
97.02882	1.6
97.06521	18.3
97.10163	3.4
97.99184	2.2
98.06078	1.9
99.04429	4.3
99.08076	3.4
101.02383	3.0
105.07024	52.5
107.04947	19.9
107.08585	40.0
109.06514	28.9
109.10153	15.7
111.04430	11.0
111.08067	3.4
113.06008	4.1
115.05460	1.8
115.28664	1.5
116.00218	4.2
116.06246	2.1
117.07011	9.2
119.04927	2.0
119.08576	27.7
121.06520	4.5
121.10119	14.8
123.04432	11.1
123.08089	7.1
123.11697	15.3
124.05154	2.0
125.06059	1.8
125.09610	6.5
127.07571	1.6
129.06999	18.5
131.08560	16.2
133.06517	9.4
133.10124	42.1
135.08049	26.0
135.08986	2.4
135.11722	10.6
137.05969	5.2
137.09610	5.8
139.07571	1.9
142.07779	6.5
145.10114	1.6
147.04536	1.4
147.08003	4.2
147.11679	28.1
149.05937	3.1
149.09599	12.3
149.13316	1.5
151.03908	4.0
151.07559	2.6
151.11174	28.6
152.04689	1.9
155.03314	1.7
155.08548	2.9
157.10107	15.5
163.97697	1.8
165.05458	1.5
165.12769	18.6
165.16339	2.1
166.06248	1.8
167.07034	100.0
167.14438	1.4
168.05669	1.5
168.09349	1.9
169.10106	1.8
170.05753	2.8
175.11200	27.4
175.14815	4.3
178.69540	1.2
179.07121	6.6
181.08606	2.6
181.10202	1.9
183.07903	1.7
183.11676	1.7
192.20815	1.2
193.05011	1.5
193.08569	2.4
193.12218	29.6
193.15840	3.4
196.12498	1.9
211.05803	1.8
211.07628	8.0
211.09500	2.7
211.11255	3.1
211.13042	15.9
211.14867	7.6
211.16919	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	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02374	0.3
52.26957	0.3
53.03938	1.7
55.01870	2.2
55.05506	14.4
56.96563	2.6
57.03182	0.3
57.03434	4.1
57.07056	1.5
59.04994	0.8
65.03915	1.3
67.05500	13.3
69.03123	0.4
69.03429	4.6
69.07058	6.5
71.04987	5.1
71.08625	0.6
71.62709	0.6
72.08141	0.5
73.06579	0.4
78.04700	2.5
79.05489	11.9
79.05947	0.7
81.03412	35.2
81.07050	17.5
83.04973	16.3
83.08612	14.6
85.02891	1.0
85.06540	2.3
91.05471	12.9
93.03364	0.5
93.07034	9.2
95.04963	15.5
95.08596	8.7
97.02864	2.0
97.06531	2.9
97.10160	3.2
99.04441	0.9
99.08060	1.2
103.05441	1.6
105.03387	0.6
105.07021	10.6
106.04140	1.6
107.04965	4.2
107.08586	6.0
109.02864	0.6
109.06493	3.5
109.10142	6.4
111.04427	1.5
111.08066	6.3
115.05427	0.9
116.00156	0.4
117.06998	0.9
119.04916	1.3
119.08570	10.9
121.02813	0.4
121.06514	3.2
121.10143	5.1
122.03550	0.5
123.04407	7.7
123.08076	2.8
123.11672	3.1
124.05216	2.6
125.06001	0.5
125.09589	1.8
127.07500	0.5
129.06993	4.5
131.08557	4.1
133.06487	2.3
133.10129	7.2
135.04398	0.4
135.08112	0.6
135.11673	3.9
137.05966	1.9
137.09608	3.0
139.11195	0.4
141.06955	0.5
142.07742	0.8
145.10106	0.8
147.04385	0.4
147.08026	1.6
147.10501	0.4
147.11668	7.3
149.05971	4.1
149.09599	3.2
149.13249	1.1
150.06262	0.5
151.03900	2.0
151.07500	1.2
151.11159	1.2
151.14838	0.5
152.04707	2.0
154.07838	0.3
155.03372	0.6
155.07210	0.4
155.08519	1.5
157.10106	6.4
158.87979	0.4
161.05934	1.3
165.05528	0.5
165.07036	0.7
165.09146	0.4
165.12709	1.7
166.06201	0.5
167.07025	100.0
168.04213	0.5
168.05800	0.6
168.07355	2.1
168.09341	0.6
169.10114	0.7
170.05739	1.3
173.10825	0.6
175.11162	8.3
175.14780	3.7
179.07076	3.8
181.08583	3.7
181.10054	0.7
182.11333	0.6
183.08011	0.5
183.11705	0.9
191.11920	0.4
193.04935	0.6
193.08661	2.6
193.12219	22.2
193.15912	3.0
194.12613	0.5
196.08827	0.5
200.99339	0.3
201.19803	0.5
211.05798	0.5
211.07697	2.0
211.09573	1.4
211.11230	1.4
211.13153	10.9
211.14868	1.5
211.16887	2.3
220.54201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03935	5.9
55.01862	6.4
55.05503	39.2
57.03432	11.9
57.07063	1.9
59.05005	1.2
65.03941	1.6
67.05499	28.3
69.03421	10.3
69.07062	10.5
70.20421	6.2
71.04983	6.5
78.04704	1.6
79.05482	32.0
81.03410	100.0
81.07045	39.2
83.04976	53.0
83.05373	1.1
83.08607	34.5
83.21110	1.2
85.02904	2.3
85.06535	3.3
91.05470	36.4
93.07040	21.1
95.04960	39.5
95.05553	2.3
95.08585	15.2
97.02876	4.2
97.06509	5.5
97.10168	8.4
98.20789	2.4
99.04407	1.4
99.08097	1.8
103.05459	1.8
105.07019	24.4
106.04126	1.2
107.04956	7.6
107.08591	10.7
109.06516	7.3
109.10129	6.6
111.04443	2.3
111.08081	16.5
115.05409	1.3
117.07034	1.5
119.04951	1.4
119.08566	19.8
121.06509	4.8
121.10118	9.0
123.04407	4.5
123.08057	5.0
123.11706	1.9
124.05222	2.4
125.09622	4.2
129.07005	11.5
131.08551	11.8
133.06474	4.1
133.10120	15.0
135.11697	3.9
137.05943	2.1
137.09631	3.5
142.07800	3.2
147.08032	3.6
147.11662	17.0
149.05937	3.0
149.09613	7.4
149.13152	1.2
151.03935	1.6
151.07610	2.3
151.11110	1.5
152.04633	1.4
155.08525	1.3
157.10112	19.5
165.12785	4.0
167.07030	82.0
169.10126	2.0
175.11165	23.3
175.12679	1.2
175.14728	1.1
175.75604	1.1
179.07080	3.7
179.73167	1.3
181.08612	3.7
191.44139	1.1
193.08601	1.8
193.12225	54.8
201.40759	1.0
211.07713	2.5
211.09596	1.5
211.13194	25.6
211.16821	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	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03934	0.3
55.01876	0.3
55.05499	0.5
56.96539	0.2
63.77531	0.2
66.04710	0.2
67.05492	0.7
69.03404	0.3
69.57642	1.0
69.58051	0.4
70.05341	0.2
71.04965	0.4
78.04709	2.6
79.05486	1.8
81.03432	0.4
81.07044	0.8
83.04957	0.4
85.06521	0.3
91.05471	1.2
93.07027	0.9
95.04955	1.6
95.08595	0.7
96.05772	0.3
99.08079	0.3
103.05454	0.7
105.03370	0.2
105.07023	1.1
106.04173	1.7
107.04951	1.4
107.08564	0.4
109.02876	0.3
109.06533	0.5
109.10150	0.6
119.04965	0.2
119.08592	0.2
121.06499	1.3
121.10121	0.2
122.03628	0.6
123.04419	6.7
123.08054	0.2
124.05214	2.5
125.09659	0.3
133.06496	0.8
133.10117	0.5
134.03638	0.7
135.04433	0.4
135.11674	0.3
137.05965	1.2
147.11717	0.2
149.05945	1.8
150.03026	0.2
151.03897	1.3
151.07520	0.4
152.04668	2.1
152.17361	0.2
159.45709	0.2
161.05956	0.8
165.05522	0.4
165.06949	0.2
166.06210	0.3
167.07025	100.0
168.04158	0.2
168.07355	1.4
173.43187	0.2
175.14928	0.3
176.06487	0.9
179.06918	0.9
181.08572	2.1
193.04898	0.3
193.08604	1.8
193.12224	0.4
193.15770	0.3
211.05956	1.2
211.07701	0.4
211.09433	0.9
224.15919	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.05509	1.0
57.03424	0.4
57.07066	0.3
58.93691	0.2
66.04734	0.2
67.05497	1.1
69.03400	0.8
69.07056	0.7
69.36677	2.2
70.22105	0.2
70.90688	0.2
71.04986	0.6
71.57917	0.2
78.04708	1.9
79.05077	0.2
79.05480	1.8
81.03410	0.6
81.07056	1.9
83.04974	0.6
83.08624	0.4
84.52869	0.2
85.06549	0.3
91.05476	1.5
93.07030	1.7
95.04960	1.9
95.08598	2.3
96.05736	0.5
97.06528	0.3
97.10174	0.3
99.04442	0.6
99.08075	0.5
103.05451	0.9
104.63815	0.2
105.07013	1.3
106.04176	1.6
107.04939	0.9
107.08604	1.3
109.02850	0.3
109.06505	0.7
109.10143	2.3
111.08065	0.5
115.07510	0.3
119.04910	0.3
119.08573	1.0
121.06503	1.3
121.10128	0.7
122.03633	0.4
123.04419	6.0
123.08078	0.4
123.11695	0.4
124.05226	2.5
125.09612	1.3
125.35934	0.2
133.06482	0.8
133.10138	1.1
134.03590	0.3
135.11656	1.6
137.05980	1.1
137.09601	0.8
147.04372	0.3
147.11667	0.6
149.05965	2.4
149.13206	0.2
151.03918	1.3
151.07507	0.3
151.11200	0.3
151.14754	0.3
152.04652	1.7
161.05946	0.7
163.14864	0.4
165.05458	0.3
166.06206	0.5
167.07024	100.0
168.07347	1.4
175.11224	0.3
175.14810	0.9
179.06934	1.0
180.07742	0.2
181.08591	2.4
183.07971	0.3
193.08575	2.1
193.12271	0.5
193.15991	1.1
211.07532	0.6
211.09627	0.8
211.16917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30836	0.3
54.71254	0.4
55.01873	0.5
55.05495	1.3
57.03430	0.5
57.07065	0.4
62.91509	0.3
67.05500	1.9
69.03426	0.7
69.07069	1.9
69.47932	0.5
69.48340	2.5
71.04973	1.2
78.04399	0.3
78.04707	2.8
79.05477	2.0
81.07051	3.4
83.04977	0.8
83.08580	0.5
85.06525	0.6
91.05482	1.6
93.07027	1.8
95.04958	1.9
95.08604	5.6
97.06512	0.6
99.04428	0.9
103.05444	0.9
105.07030	1.6
106.04153	1.4
107.04957	0.8
107.08577	2.2
108.94941	0.4
109.02193	0.3
109.06525	0.9
109.10146	4.5
109.10835	0.6
111.08047	0.7
115.07603	0.5
119.04930	0.4
119.08561	2.9
121.06507	1.0
121.10110	1.0
123.04420	6.9
123.08044	1.1
123.11670	1.4
124.05215	2.8
125.09607	0.5
133.06502	0.7
133.10121	2.7
135.11665	3.6
137.05969	0.9
137.09615	2.0
146.43690	0.3
147.11667	0.7
149.05971	2.0
149.13193	0.4
151.03883	1.3
151.07555	0.4
151.11163	0.7
151.14786	0.3
152.04655	2.0
161.05994	0.5
163.14833	0.6
165.16397	0.4
167.07024	100.0
168.07402	1.5
175.11159	0.6
175.14818	2.7
179.07031	1.3
181.08556	1.8
193.08594	2.1
193.10135	0.3
193.12236	1.3
193.15865	1.5
211.05872	0.5
211.07730	0.5
211.09615	1.0
211.13136	0.6
211.16898	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	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
52.31067	0.3
53.03933	0.6
55.05498	1.3
57.03434	0.6
57.07076	0.4
60.83995	0.3
62.23318	0.3
67.05495	1.4
69.03401	0.6
69.07039	0.7
71.04981	0.6
76.25004	0.4
78.04707	2.0
79.05486	1.5
81.03410	0.9
81.07063	1.6
83.04963	0.7
83.08630	0.6
85.06505	0.5
91.05486	1.8
93.07027	1.9
95.04974	1.7
95.08582	2.0
96.05765	0.4
98.21510	0.8
103.05439	0.9
105.07008	1.4
106.04165	1.8
107.04955	1.2
107.08624	1.6
109.10159	3.4
117.08279	0.3
118.04049	0.4
119.08549	1.4
121.06487	1.3
121.10046	0.3
122.03623	0.3
123.04431	5.3
123.08067	0.4
123.11661	1.0
124.05218	2.6
125.09594	0.7
133.06485	0.9
133.10101	1.3
135.11745	1.7
137.05984	0.9
137.09618	0.9
149.05968	2.5
151.03876	1.4
151.07489	0.6
151.11214	0.5
152.04683	1.7
155.08646	0.3
161.06000	0.8
166.06212	0.5
167.07031	100.0
168.07391	1.4
175.11162	0.6
175.14799	0.8
179.06992	0.8
181.08621	2.6
193.08588	2.1
193.12267	0.7
193.15875	0.9
211.07709	0.6
211.09651	1.5
211.14827	0.5
211.16844	0.7
229.87311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03934	3.3
55.01871	10.0
55.05500	2.6
56.96566	2.2
57.03428	2.0
57.07067	1.2
65.03922	4.5
66.22108	1.0
67.05483	4.5
69.03407	1.9
69.07056	2.0
70.06585	1.3
71.01288	1.0
71.04977	1.4
71.61081	1.7
73.87659	0.9
77.03905	1.4
78.04691	4.4
78.05103	1.0
79.05483	13.9
81.03407	2.5
81.07049	6.4
83.04990	2.3
85.02868	2.6
85.06510	1.4
91.05476	78.6
93.07033	10.6
95.04969	12.0
95.08593	4.0
96.08133	1.3
99.08075	1.6
103.05464	12.9
105.03372	15.8
105.04456	1.8
105.07021	19.9
106.04161	2.2
107.04952	33.4
107.08562	2.2
108.05725	3.4
109.02866	1.3
109.06512	23.5
109.10134	4.2
111.04433	1.7
115.05423	2.4
116.00292	1.1
118.04135	2.7
119.04933	100.0
119.08569	2.6
121.06490	29.9
121.10163	1.7
123.04421	11.1
123.08074	12.5
124.05181	3.5
125.05991	2.3
131.04977	1.0
131.05986	1.2
133.06493	11.4
133.10118	2.8
134.03641	12.0
135.04398	2.5
135.08060	3.7
135.11705	2.1
136.05125	1.8
137.05968	10.6
139.03857	1.7
147.04404	20.2
149.02327	2.0
149.05971	50.6
150.06293	1.3
151.03893	4.4
151.07536	51.9
152.04671	2.3
153.05397	2.2
155.06552	1.6
155.08548	1.4
161.05960	10.1
163.97794	1.4
165.05466	4.3
165.09070	1.8
166.02522	1.5
166.06206	5.2
167.07030	94.4
168.07390	11.1
175.14897	1.3
179.03377	1.3
179.07036	20.8
180.07765	1.8
181.04980	1.2
181.08585	19.3
182.09132	1.5
183.06497	1.9
183.09665	4.3
184.09717	1.1
185.48154	1.0
193.04956	1.5
193.08543	3.9
193.12260	1.8
193.58292	1.1
196.07233	1.7
211.05942	2.7
211.07649	2.5
211.09613	36.7
211.11212	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	211.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01857	0.5
55.05505	0.8
56.96558	2.9
57.03427	0.5
57.07076	0.3
62.63544	0.3
67.05501	1.2
69.03423	0.6
69.07051	0.9
70.14397	1.1
71.04992	0.5
78.04713	2.4
79.05476	2.0
81.03406	1.3
81.07043	1.7
83.04965	1.0
83.08595	0.7
84.96027	0.7
85.02848	0.5
91.05479	1.8
93.07044	1.5
95.04925	1.6
95.08608	1.1
97.02877	0.2
97.06537	0.7
97.10159	0.3
97.99188	0.7
103.05451	0.7
105.03407	0.3
105.07047	1.6
106.04147	1.7
107.04935	1.1
107.08569	0.9
109.02817	0.3
109.06500	0.7
109.10164	1.3
116.00212	1.1
119.04912	0.4
119.08575	1.0
120.49953	0.3
121.06493	0.9
121.10134	0.6
122.03635	0.4
123.04427	5.9
123.08060	0.4
124.05202	3.0
124.49451	0.2
125.05980	0.3
133.06467	0.6
133.10092	0.7
134.03583	0.4
135.11652	1.2
137.05980	0.6
137.09557	0.4
141.06992	0.3
147.11668	0.5
149.05939	1.8
151.03914	1.5
151.11179	0.4
152.04721	1.6
152.05798	0.3
155.07176	0.2
155.08565	0.7
157.10040	0.4
161.05981	0.6
163.97690	0.3
165.09094	0.3
165.12752	0.3
166.06271	0.4
167.07024	100.0
168.07326	1.2
169.10132	0.5
170.05797	0.5
175.11212	0.5
175.14824	1.0
179.07030	0.8
181.08546	1.5
181.09972	0.3
183.11754	0.4
187.27037	0.3
190.48875	0.2
193.08562	1.6
193.12288	0.8
193.15897	0.3
211.07610	0.4
211.09541	0.8
211.11400	0.4
211.13121	0.5
211.14816	0.8
211.16743	0.4
221.07985	0.2
224.72403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.02384	0.2
53.03926	0.3
55.01856	0.3
55.05493	0.8
56.96551	0.7
57.03410	0.4
57.07066	0.2
65.03953	0.2
67.05508	1.2
67.80300	0.2
69.03410	0.4
69.07056	0.5
69.47906	0.7
69.48329	1.5
71.04971	0.2
76.74290	0.2
78.04691	2.0
79.05478	1.4
81.03410	0.9
81.07042	1.5
83.04987	0.4
83.08583	0.6
91.05483	1.2
93.07027	1.2
95.04948	1.6
95.08582	0.9
97.02828	0.3
99.04447	0.4
103.05453	0.5
105.07009	1.2
106.04161	1.4
107.04940	0.7
107.08575	0.6
109.02805	0.3
109.06529	0.4
109.10137	1.2
119.04919	0.4
119.08549	0.5
121.06487	0.8
121.10168	0.3
122.03659	0.3
123.04408	6.3
123.08018	0.4
123.11726	0.6
124.05207	2.1
125.09537	0.3
133.06476	0.8
133.10121	0.5
135.11681	0.7
137.06015	0.6
137.09532	0.2
147.11647	0.4
149.05981	1.4
151.03905	1.4
151.07512	0.5
152.04681	1.3
161.05966	0.6
166.06262	0.3
167.07019	100.0
168.07370	1.4
170.05711	1.0
170.07114	0.2
175.11145	0.3
175.14745	0.3
179.07033	1.0
181.06586	0.2
181.08553	1.4
181.09984	0.4
183.08188	0.3
183.11700	0.5
193.08554	2.1
193.12201	0.9
209.06596	0.3
211.07509	0.6
211.09587	1.1
211.13029	0.3
211.14864	0.7
211.16867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01865	0.4
55.05495	0.5
56.96546	0.4
57.03445	0.2
57.07069	0.3
65.03919	0.2
67.05484	0.7
69.07048	0.7
71.04983	0.5
71.62129	0.2
76.42586	0.2
78.04694	1.9
79.05486	1.6
81.03404	0.6
81.07055	1.6
83.04958	0.6
83.08612	0.4
85.02872	0.2
91.05466	1.5
93.07038	1.1
95.04971	1.4
95.08585	1.1
96.05751	0.3
97.06500	0.4
99.04444	0.2
103.05437	0.6
105.03369	0.3
105.07027	1.2
106.04181	1.0
107.04974	1.1
107.08590	0.7
109.02831	0.2
109.06499	0.7
109.10154	1.0
111.08077	0.3
119.04916	0.4
119.08584	0.8
120.95183	0.2
121.06521	1.1
121.10120	0.5
122.03616	0.3
123.04421	5.8
123.05320	0.3
123.08064	0.3
123.11654	0.4
124.05215	2.3
125.09618	0.4
131.08510	0.2
133.06464	0.9
133.10088	0.4
134.03635	0.3
135.04420	0.3
135.11664	0.8
135.12573	0.2
137.05975	1.0
137.09584	0.4
139.11142	0.2
147.04385	0.3
147.11665	0.7
149.05981	2.3
151.03926	1.5
151.07504	0.5
151.11154	0.3
152.04688	2.0
153.06932	0.2
153.40999	0.2
155.03438	0.2
155.08527	0.5
157.10129	0.3
161.05981	0.6
164.50574	0.2
165.05356	0.3
165.12724	0.2
166.06253	0.2
167.07024	100.0
168.07341	1.3
169.10115	0.4
169.79126	0.2
170.05713	0.6
175.11278	0.3
175.14867	0.4
179.03340	0.2
179.07036	1.1
181.08572	2.3
181.10068	0.2
183.11644	0.3
193.08604	2.2
193.12253	0.5
193.15872	0.4
194.08861	0.2
196.12419	0.2
211.07564	0.4
211.09573	1.1
211.11377	0.3
211.13055	0.3
211.15016	0.8
211.16660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03937	0.5
55.01855	0.4
55.05496	0.9
56.96561	0.6
57.03431	0.6
59.05005	0.2
62.77267	0.2
65.03920	0.3
67.05508	1.4
69.03420	0.4
69.07057	0.7
69.29261	2.8
70.06583	0.3
71.04987	0.5
72.08140	0.7
78.04700	2.3
79.05489	2.0
81.03400	0.6
81.06657	0.3
81.07054	1.8
83.04969	0.6
83.08638	0.4
85.06528	0.3
91.05471	2.7
93.07030	1.9
95.04962	2.9
95.08597	1.3
96.05767	0.4
97.06488	0.3
99.04392	0.2
99.08073	0.3
103.05476	1.3
105.03389	0.3
105.07018	2.6
106.04167	1.7
107.04983	1.2
107.08579	1.0
108.33841	0.2
109.02865	0.4
109.06525	0.8
109.10125	1.4
110.03642	0.6
111.08059	0.4
115.05470	0.3
117.06955	0.2
119.04941	1.6
119.08567	1.2
121.02892	0.3
121.06498	1.5
121.10042	0.3
122.03672	0.4
123.04418	14.0
123.08015	1.4
123.11698	0.8
124.05241	2.3
125.05958	0.4
125.09597	0.8
127.07557	0.3
133.06451	1.1
133.10120	1.6
134.03601	0.5
135.04399	0.4
135.08047	0.5
135.11691	0.6
137.05981	1.4
137.09596	0.5
138.02995	0.2
141.05391	0.3
147.04366	1.3
147.11676	0.5
149.05965	2.7
149.09521	0.2
150.06718	0.5
151.03889	2.0
151.06433	0.4
151.07544	4.8
151.11133	0.8
151.14868	0.3
152.04657	1.7
153.05435	0.4
155.08542	0.4
161.05936	0.7
161.07114	0.4
165.05458	0.2
165.09082	0.4
166.06271	0.5
167.07025	100.0
167.94778	0.2
168.07329	1.1
175.11131	0.4
175.14769	0.6
179.07024	19.5
180.07477	0.3
181.08586	2.5
193.08577	3.1
193.12268	0.5
193.15897	0.6
211.07529	0.9
211.09645	4.2
211.13011	0.3
211.14780	0.5
213.78984	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	211.0963
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
51.02382	0.2
53.03933	0.3
54.12575	0.1
55.05486	0.5
56.96549	0.7
65.03904	0.2
65.61578	0.1
67.05474	0.5
69.03430	0.2
69.07034	0.2
70.40249	0.6
70.40601	0.2
71.04974	0.4
78.04704	2.3
79.05487	1.7
81.03402	0.4
81.07041	0.9
83.04967	0.4
83.08590	0.3
84.96030	0.4
85.02901	0.2
85.06547	0.3
87.99638	0.2
91.05471	1.4
93.07040	1.0
95.04955	0.9
95.08612	0.9
96.05753	0.3
97.06525	0.2
99.04479	0.3
99.86253	0.2
103.05450	0.6
105.07027	1.0
106.04166	1.3
107.04946	0.7
107.08556	0.5
109.02882	0.2
109.06524	0.3
109.10126	0.7
111.08054	0.3
119.04919	0.6
119.08572	0.5
120.16811	0.1
121.06482	1.1
121.10179	0.2
122.03618	0.3
123.04417	6.7
123.08048	0.3
123.11707	0.3
124.05207	2.4
125.05975	0.2
127.03900	0.3
127.07613	0.2
133.06461	0.8
133.10117	0.3
134.03580	0.5
135.11693	0.3
137.05974	0.7
137.09586	0.2
139.07587	0.2
147.04367	0.5
149.05974	1.6
151.03845	1.2
151.07520	0.6
152.04669	2.0
155.03311	0.8
161.05968	0.7
166.06238	0.5
167.07021	100.0
168.04195	0.3
168.07362	1.1
170.05716	3.1
170.07072	0.3
175.14835	0.4
179.07022	1.6
181.08578	1.7
193.08585	2.0
193.12283	0.3
193.15849	0.3
211.07556	0.4
211.09613	0.9
211.11333	0.4
211.13110	0.4
211.14908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03931	1.3
55.01860	1.2
55.05491	1.9
56.96560	1.0
57.03421	1.3
64.33931	0.4
65.03938	0.6
65.86695	0.4
67.05495	0.8
69.03411	1.3
69.07056	0.7
70.06571	1.2
70.93069	1.2
71.04975	0.8
72.08144	3.0
73.02894	1.3
75.19711	0.4
76.48101	0.4
77.03889	0.7
78.04705	2.5
79.05483	2.6
81.03394	1.5
81.07052	1.1
83.04935	0.5
84.08128	1.0
85.02888	2.1
86.06055	0.6
91.04958	0.8
91.05479	9.9
93.07036	10.7
95.04967	5.5
95.08592	1.6
96.08074	0.5
97.02882	0.4
97.06501	1.1
98.06046	0.4
98.97575	1.5
99.08096	0.5
103.05462	8.6
104.01233	0.5
105.04560	0.5
105.07036	3.9
106.04185	2.2
107.04964	1.6
107.08591	0.6
109.02851	1.4
109.06490	1.2
110.01256	0.7
110.02391	1.0
110.97571	0.5
111.08112	0.5
116.98607	1.2
119.01790	0.7
119.04942	2.2
119.08566	0.9
120.05699	0.6
121.02872	0.7
121.06497	17.5
123.04430	8.3
124.05219	2.7
125.05960	0.7
127.03887	0.6
128.98587	1.3
131.00154	0.4
133.06485	2.6
134.99654	0.6
135.04443	0.8
135.08009	0.5
135.11629	0.5
137.05975	3.5
139.07484	0.6
140.04651	0.4
146.02318	0.5
146.99635	1.0
147.04390	2.7
149.05974	29.2
151.03889	3.4
151.07541	0.6
151.11140	0.5
152.04726	2.4
152.07030	0.8
157.09883	0.5
161.02850	0.9
161.05962	5.6
165.05449	1.5
165.09015	0.5
166.06242	7.6
167.07028	100.0
168.07343	1.4
169.09787	0.6
170.08081	0.6
170.99590	0.5
175.14882	0.8
177.00615	0.8
180.07793	2.5
181.08582	32.5
182.09023	0.7
187.02541	0.5
189.00699	1.3
193.08635	1.8
193.12187	0.5
200.04448	0.6
209.95500	0.5
211.05846	0.7
211.07596	1.1
211.09497	7.2
211.14453	1.5
212.05292	0.5
212.08263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03923	1.9
55.01864	7.0
55.05506	34.2
57.03426	2.8
57.07053	5.9
59.04980	4.1
59.24439	1.2
65.03912	2.7
67.05511	10.6
69.03404	3.8
69.07074	7.2
70.06594	1.5
70.56361	5.2
71.04981	7.2
79.05481	13.9
81.03369	1.5
81.06582	1.5
81.07045	28.1
83.04481	1.8
83.04974	35.9
83.08605	18.5
84.08099	2.2
85.02858	1.4
85.06519	4.2
91.05463	13.9
93.03389	2.8
93.07034	22.7
93.07669	2.0
95.04355	2.9
95.04958	53.0
95.08588	13.3
97.06523	20.0
97.10159	3.5
99.04448	9.6
99.08051	2.3
103.05447	4.2
105.07024	18.2
106.04189	6.7
107.04912	2.1
107.08586	25.6
109.06507	100.0
109.09454	2.2
109.10147	27.6
111.04418	1.6
111.08089	7.9
113.09604	2.6
117.07009	2.1
119.08561	6.2
121.06506	10.9
121.09309	2.2
121.10130	35.8
122.10477	1.5
123.08012	9.6
123.11655	7.2
125.05997	2.0
125.09633	8.6
131.04893	2.9
131.08554	17.6
133.10114	55.3
135.08040	16.0
135.11678	3.5
139.07553	2.2
141.09109	1.4
143.08524	2.2
144.09390	1.5
144.55800	1.3
145.02888	1.5
145.06546	1.6
145.10121	4.4
147.04390	2.6
147.11642	4.7
148.05190	3.1
149.05984	10.6
149.09621	6.9
149.13257	11.5
151.11179	21.8
153.09085	28.1
158.10909	2.9
163.14821	9.3
167.07059	2.3
167.14293	30.1
173.13254	25.4
177.05446	11.7
181.08575	2.1
191.06990	2.5
191.14275	31.7
194.05737	2.3
209.08087	13.0
209.13231	3.3
209.15337	49.7
209.17342	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	209.1898
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
52.41719	1.3
55.01866	12.7
55.05502	14.3
57.03410	1.7
57.07063	6.8
65.03939	1.9
67.05495	13.2
69.03410	3.2
69.06721	2.8
69.07062	40.0
71.04981	4.1
79.05482	7.8
81.07053	27.0
83.04994	8.1
83.08604	10.7
85.06530	2.4
87.61766	1.4
91.05480	7.3
93.07027	18.7
95.04946	6.5
95.08601	72.7
96.02772	1.5
97.06533	2.8
97.10175	9.5
99.04433	2.7
99.08082	8.0
100.94631	1.7
103.05453	3.7
105.07013	4.8
107.04942	3.1
107.08587	29.8
109.06514	11.5
109.09439	2.9
109.10137	26.8
111.08060	4.2
111.11713	30.8
113.09655	3.3
117.03430	2.1
121.06499	6.7
121.10134	43.2
123.08017	2.6
123.11713	12.1
125.09604	6.3
131.08505	2.8
133.10091	4.0
135.04349	1.8
135.08034	2.9
135.11678	29.4
136.03326	1.5
137.09575	1.9
137.13304	1.7
145.02788	2.5
148.05165	2.1
149.05946	6.9
149.09598	4.7
149.13228	8.3
151.11188	6.5
153.05328	1.6
153.09081	7.1
163.07507	2.2
163.14851	2.5
167.14301	5.5
173.13254	2.5
177.05450	9.3
191.06956	4.6
191.10596	1.6
191.14325	9.2
191.17931	100.0
192.18254	3.4
209.07892	7.5
209.09721	3.5
209.11671	2.7
209.15363	26.8
209.18909	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.63977	2.4
53.03919	3.4
55.01856	9.0
55.05508	81.1
57.03424	5.4
57.07062	4.5
59.04987	6.3
60.06172	2.0
61.32803	2.2
67.05507	12.9
67.23282	2.3
69.03079	2.9
69.03427	37.0
69.07053	12.6
69.68705	15.3
69.69119	4.1
70.10352	2.0
71.04975	11.2
79.05489	11.6
81.07050	18.8
83.04976	78.4
83.08619	40.8
85.06525	7.6
91.05474	13.4
93.03418	2.9
93.07044	31.6
95.04965	100.0
95.08605	13.4
97.06520	15.5
97.10177	14.4
99.04459	18.0
103.05460	5.4
105.07033	14.7
106.04166	7.3
107.04970	4.1
107.08586	44.1
109.06528	31.5
109.10149	27.9
111.08079	18.3
119.08561	9.6
121.06489	11.2
121.10138	54.9
123.08034	7.8
123.11681	19.2
125.05990	6.4
125.09627	49.8
131.08565	8.7
133.10129	24.0
135.08046	10.8
135.11684	5.1
145.10170	5.6
147.11644	3.6
149.02298	2.7
149.05952	13.5
149.09636	11.5
149.13258	14.2
151.11177	56.1
153.09090	51.0
163.11172	3.0
163.14816	14.9
166.63333	2.3
167.07065	4.0
167.14316	85.6
173.13251	19.9
176.28716	2.3
177.05435	9.2
178.05826	5.5
181.08595	3.1
191.10690	3.6
191.14287	41.7
209.04533	3.1
209.08167	10.9
209.15367	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75301	1.4
53.03926	3.2
53.34256	1.3
55.01854	6.0
55.05507	36.6
57.03420	4.7
57.07064	3.9
59.04975	3.6
65.03925	2.7
67.05497	10.5
69.03404	5.3
69.07058	9.3
69.92700	9.3
71.05004	8.8
72.53683	1.4
75.04457	1.6
79.05485	12.5
81.07042	26.7
83.04977	38.3
83.08614	21.2
84.08094	1.5
85.06532	5.7
85.10265	1.5
91.05464	15.6
93.03381	2.9
93.07027	21.9
95.04961	100.0
95.08599	13.8
97.06522	21.3
97.10154	5.4
99.04448	19.2
99.08095	2.1
100.11246	2.5
103.05460	5.9
105.07014	17.7
106.04173	10.5
107.04936	2.0
107.08589	25.7
109.06511	84.3
109.10151	23.2
111.04403	2.0
111.08070	11.2
113.09595	2.5
115.07525	1.8
117.06996	1.5
119.04950	1.7
119.07276	1.7
119.08559	5.9
121.06493	18.2
121.10130	22.8
123.08072	8.7
123.11689	6.2
125.06030	2.3
125.09620	11.9
131.08556	13.4
133.10117	48.1
135.08025	15.2
135.11674	5.0
139.07568	2.0
139.11156	2.0
143.08549	2.3
145.10092	6.5
147.11652	5.8
149.05989	15.5
149.09576	7.0
149.13226	10.6
151.11168	30.3
153.05490	1.7
153.09093	49.1
158.10910	2.7
163.07585	1.7
163.14844	7.3
165.12680	2.1
167.14297	37.0
173.13263	23.0
177.05461	19.6
181.08505	2.2
191.06984	1.9
191.14275	27.2
191.44008	1.4
209.08084	7.6
209.09685	1.5
209.15337	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	Prosopidione
Peak:m/z	Relative Intensity
55.01834	1.6
55.05505	31.8
57.07066	2.1
59.04985	2.5
65.03903	1.0
67.05506	4.3
69.03419	2.2
69.07046	2.8
70.79365	1.9
71.04988	6.3
78.16089	0.7
79.05466	1.7
81.07057	6.9
83.04977	25.5
83.08612	18.4
85.06537	2.5
91.05472	2.5
93.07034	5.0
95.04959	100.0
95.08585	4.0
97.06516	4.6
97.10156	3.0
99.04447	19.9
99.08070	1.6
100.39320	0.8
105.07027	3.4
106.04152	1.5
107.08582	9.3
109.06504	19.5
109.10146	12.5
111.08088	5.0
119.08561	1.6
121.06531	1.8
121.10150	5.8
123.08025	2.1
123.11697	5.7
125.09628	5.2
131.08559	2.6
133.10117	10.8
135.08049	5.6
137.09583	3.4
145.10088	1.2
149.05945	2.2
149.09627	1.8
149.13194	4.2
151.11168	18.6
153.09090	29.6
158.10869	1.4
163.14845	1.5
165.12766	0.9
167.14297	29.6
173.13239	4.8
177.05479	1.2
191.14310	9.5
192.06429	0.9
209.07971	1.0
209.15350	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03921	1.4
55.01854	3.4
55.05506	15.0
57.03432	14.2
57.07079	5.8
59.04622	1.4
59.04987	5.1
60.19065	1.3
63.09359	1.1
65.03921	1.6
66.93026	1.2
67.05507	6.7
69.03424	2.7
69.07075	5.8
69.70717	2.9
69.71129	7.3
71.04986	9.5
79.05484	9.9
80.34073	1.2
81.07052	17.8
83.04980	12.4
83.08624	13.8
85.06516	4.6
91.05480	9.2
93.03390	1.8
93.07038	18.2
93.07606	1.8
95.04962	100.0
95.08590	9.6
97.06523	24.0
97.10170	1.4
98.20718	1.6
99.04447	20.6
99.08091	3.8
103.05428	2.9
103.06861	1.3
105.07016	9.0
106.04166	5.8
107.08593	20.2
109.06512	77.8
109.09553	1.5
109.10156	16.7
109.75888	1.3
111.08073	15.9
113.09666	1.9
115.07528	1.6
119.08572	6.1
121.06499	10.9
121.10135	17.6
123.08071	12.8
123.11687	2.9
125.05981	3.7
125.09615	5.5
127.07477	1.6
131.08560	10.4
133.10117	31.7
135.08038	13.6
135.11676	2.9
137.05977	1.8
137.09584	2.3
139.07570	1.1
139.11156	2.4
141.40446	1.1
145.10092	3.3
145.54919	1.2
147.11678	3.6
148.05237	1.4
149.05983	11.2
149.09581	3.5
149.13254	7.5
151.11165	8.7
153.09093	82.4
158.10886	2.7
163.14815	4.6
165.12744	4.0
167.14304	13.3
173.13257	16.5
177.05424	7.2
181.08563	2.1
185.01227	1.3
190.21466	1.1
191.14293	62.3
209.08058	3.3
209.15355	69.9
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
53.03930	1.8
55.01863	5.0
55.05505	17.4
57.03431	1.3
57.07086	3.9
57.07320	1.0
59.04973	2.0
65.03921	1.6
67.05498	6.6
68.72089	0.7
69.03418	2.8
69.07055	5.1
70.95868	1.5
71.05000	4.5
71.54605	0.9
79.05487	7.0
81.07050	10.8
83.04976	20.7
83.08612	11.6
85.02853	1.2
85.06523	2.3
86.63373	0.7
88.75571	0.7
89.03908	1.5
91.05468	8.8
93.03388	1.9
93.07038	10.2
95.04966	22.4
95.08591	8.9
97.06512	6.8
97.10149	1.7
99.04467	4.0
99.08082	1.8
103.05431	2.9
105.07021	6.7
106.04166	8.9
107.04969	1.3
107.08592	14.9
109.06509	100.0
109.10144	18.2
109.90815	0.8
111.08080	3.8
117.03316	0.7
117.06986	2.4
119.08581	2.4
121.06495	13.5
121.10122	10.1
123.08047	11.7
123.11700	3.6
124.05183	0.9
125.05965	2.8
125.09622	4.7
127.07519	0.9
131.04874	1.0
131.08597	6.8
133.10126	12.8
134.03636	2.6
135.08043	26.6
135.11646	2.2
137.06004	1.8
137.09622	3.7
139.07545	1.3
145.10118	3.0
147.11629	1.6
148.05217	1.6
149.05968	15.0
149.09596	6.9
149.13257	4.7
151.11176	14.0
153.05449	1.2
153.09088	14.5
158.10904	2.0
161.09636	1.0
163.07588	1.0
163.11208	0.8
163.14830	1.7
165.12697	4.1
167.14301	19.9
173.13274	9.2
173.70828	0.8
177.05464	11.4
181.08563	3.6
191.14304	23.8
194.09358	1.2
209.08022	6.2
209.09810	1.3
209.11847	1.6
209.15352	26.9
210.15628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	6.0
55.01868	13.8
55.05507	61.5
55.16216	1.9
57.03419	4.9
57.07056	6.3
59.04977	7.6
63.08500	1.7
65.03926	4.1
66.96278	1.9
67.05502	16.2
68.08799	1.7
69.03427	11.8
69.07066	12.8
71.04987	11.2
71.62804	3.8
75.04465	3.0
78.04686	3.1
79.05482	16.4
79.98903	1.8
81.07055	31.4
81.83155	1.8
83.04976	64.7
83.08613	46.4
84.15270	1.8
85.02908	2.6
85.06517	7.8
89.03928	2.6
91.05479	22.3
93.03391	8.2
93.07035	29.4
94.68841	1.8
95.04961	100.0
95.08603	15.3
97.06518	31.9
97.10146	9.8
99.04454	18.5
99.08082	5.2
103.05461	10.5
105.07021	18.9
106.04167	27.8
107.04945	4.6
107.08587	35.7
109.06509	87.4
109.10153	38.9
111.04422	4.1
111.08101	18.1
113.09629	3.7
117.07045	2.1
119.08580	10.3
121.06491	35.7
121.10143	30.6
121.10986	1.6
123.08064	9.0
123.11694	16.4
125.05986	11.7
125.08826	2.7
125.09622	19.6
130.40796	1.8
131.04907	4.7
131.08530	9.4
133.10124	39.2
134.03609	7.3
134.10368	1.8
135.04425	3.0
135.08028	16.3
135.11670	4.8
137.05904	3.0
139.07521	4.4
139.11136	1.9
144.09270	2.1
145.02826	3.6
145.10107	4.7
147.04395	2.2
147.11659	5.5
148.05170	4.5
148.51784	2.1
149.05972	48.6
149.09612	21.1
149.13249	11.1
151.11169	61.0
153.05447	2.9
153.09099	53.1
158.11020	2.0
159.04396	3.1
163.07555	2.5
163.14862	6.3
165.12743	4.6
166.06261	3.4
167.07031	4.6
167.14301	75.3
172.94069	2.0
173.13272	20.8
177.05457	36.6
181.08549	9.4
191.07005	3.2
191.14302	37.6
203.27635	2.4
209.04558	2.6
209.08072	17.1
209.15358	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	2.8
55.01870	8.1
55.05255	4.5
55.05505	54.5
56.42467	2.6
57.07066	6.9
59.04984	4.2
59.12406	2.2
65.03922	3.6
66.00599	2.2
67.05503	18.8
67.91223	2.3
69.03428	33.0
69.07061	8.3
71.04980	7.9
73.20023	2.4
79.05493	11.2
81.03422	2.8
81.07060	31.0
83.04976	100.0
83.08617	29.6
85.06537	3.3
91.05467	9.9
93.07043	18.8
95.04961	53.2
95.08598	19.8
97.06517	9.9
97.10166	4.1
97.87514	2.7
99.04431	11.8
99.08064	3.9
102.41083	2.6
105.07014	12.4
106.99818	2.5
107.08587	43.6
109.06512	93.9
109.10156	28.5
111.08071	15.6
113.09659	2.8
119.08576	5.5
121.06501	8.1
121.10125	26.7
123.08073	15.5
123.11709	9.2
125.09632	22.9
131.08534	15.0
133.10117	33.5
134.85516	2.4
135.08032	20.3
135.11688	6.4
142.79439	2.7
145.10110	6.1
147.11668	4.3
149.05984	5.4
149.09610	7.5
149.13255	13.7
151.11198	29.3
153.09074	27.0
158.10988	3.8
163.14813	5.9
165.12756	4.0
167.10680	2.8
167.14314	44.9
173.13264	24.7
177.05478	2.9
182.37779	2.9
191.07095	3.0
191.14305	40.6
209.08104	3.2
209.15370	62.4
229.23158	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	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.26266	1.3
53.03933	2.2
54.33035	1.3
55.01859	4.0
55.05507	89.3
57.03428	2.3
57.07061	2.2
59.04984	4.7
67.05492	7.9
69.03426	8.5
69.07054	7.2
70.22156	4.2
71.04951	1.7
79.05473	5.8
81.07043	15.8
83.04976	91.4
83.08608	51.3
85.06517	3.4
86.37212	1.2
91.05461	5.3
93.02252	1.4
93.07024	12.3
95.04967	12.3
95.08581	9.0
97.06519	6.1
97.10166	8.1
99.04420	2.3
99.08080	2.2
99.93864	1.2
105.07009	5.7
107.08589	24.5
109.06514	9.4
109.10154	29.6
111.04456	1.7
111.08066	11.7
113.09646	2.3
118.04214	1.4
119.08598	2.3
121.06462	2.8
121.10139	20.9
123.08050	1.4
123.11700	13.9
125.09612	18.1
131.08568	3.5
133.10114	12.0
135.08044	2.2
139.90648	1.4
144.13403	1.7
147.11691	1.7
149.05962	2.7
149.09618	1.9
149.13254	11.7
149.50212	1.3
151.11172	64.5
153.09102	5.4
162.15796	1.4
163.14809	2.9
165.12679	1.4
167.14307	100.0
169.37512	1.3
173.13255	5.4
177.05450	2.9
191.14301	6.8
209.04425	2.0
209.08167	2.6
209.13185	2.9
209.15347	48.0
209.17340	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03946	3.5
55.01859	3.6
55.05508	95.8
56.36599	2.2
57.03433	2.5
59.04996	3.0
67.05504	11.0
67.44050	1.7
69.03420	6.9
69.07050	5.5
69.43105	4.4
69.43504	12.5
70.47778	2.0
71.04989	4.0
74.38559	1.8
79.05493	6.6
81.07049	16.4
83.04977	100.0
83.08616	51.1
85.06539	2.7
91.05474	6.0
93.07032	19.6
95.04962	38.7
95.08604	14.5
97.06522	10.6
97.10162	9.4
97.61285	2.2
99.04456	5.8
105.07028	10.9
107.08588	35.7
108.34292	2.0
109.06506	29.3
109.10153	29.6
111.08075	12.9
113.09631	2.6
119.08572	4.3
121.10137	42.4
123.08074	5.5
123.11668	10.6
125.09632	15.3
131.08549	4.0
133.10130	16.8
135.08038	6.3
135.11729	2.9
137.09570	1.7
149.13251	9.5
151.11177	57.5
153.09102	12.6
163.14818	6.6
164.91498	2.0
167.14308	85.2
173.13223	7.8
191.14272	12.8
200.00339	1.7
209.15349	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02377	1.1
53.03934	2.2
55.01865	6.3
55.05506	24.5
57.03425	1.3
57.07069	9.5
59.04980	2.2
63.13747	1.0
65.03907	2.1
67.05491	9.6
69.03073	1.3
69.03426	18.3
69.07056	8.5
71.04961	3.7
75.04456	1.5
77.44054	0.9
78.04710	1.0
79.05485	9.3
81.07051	15.8
83.04974	35.4
83.08200	1.2
83.08608	13.4
85.06525	7.4
89.03870	2.3
91.05468	11.6
93.03391	3.3
93.07037	14.2
95.04958	30.3
95.08598	14.0
97.06510	8.5
97.10130	3.3
99.04446	6.9
99.08072	2.4
103.05433	3.7
105.07027	11.1
106.04162	10.4
107.04935	1.7
107.08580	33.9
109.06506	25.7
109.10145	13.3
111.04428	2.3
111.08061	13.5
113.09617	1.0
117.06985	1.4
119.08559	7.1
121.06487	14.3
121.10130	23.9
123.08069	7.1
123.11717	8.1
125.05953	1.8
125.09616	52.7
131.04919	2.0
131.08556	10.0
133.10118	17.7
134.03630	2.1
135.08041	18.9
135.11682	6.9
137.05966	1.5
137.09595	2.8
139.07454	1.1
141.56960	1.0
141.63939	1.1
143.08575	2.0
145.02823	1.9
145.10077	4.8
147.11661	6.5
148.05115	2.9
149.05977	13.1
149.09618	13.4
149.13231	11.9
150.10304	1.6
151.11171	22.7
153.05475	1.4
153.09091	25.1
158.10896	4.8
159.04410	1.4
161.09598	1.7
161.13176	1.3
163.07515	2.1
163.11203	6.1
163.14832	8.3
165.12741	11.1
167.14299	20.6
173.13246	25.4
176.11948	2.5
177.05466	9.6
181.08571	3.5
191.06998	1.6
191.14291	94.3
192.14558	1.3
194.01982	1.1
194.05849	1.0
208.09738	1.1
209.04413	1.9
209.06464	1.2
209.08122	9.3
209.15338	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	207.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05492	12.2
57.07059	7.6
65.03912	3.6
65.30835	2.5
67.05492	21.8
67.63271	2.5
69.03411	5.1
69.07068	14.4
71.04968	6.0
72.90903	2.3
79.05465	11.3
81.07045	30.5
83.04942	3.4
83.08602	4.8
84.94912	2.6
85.06523	8.2
87.05753	2.2
91.05478	18.8
93.07025	35.8
95.04942	5.4
95.08595	65.0
97.06487	5.3
105.07021	37.3
107.08582	64.5
109.06487	9.9
109.10143	30.2
111.08064	23.2
119.04939	3.5
119.07681	3.2
119.08556	55.4
121.10132	24.1
123.08037	24.5
123.11678	15.4
131.08511	5.0
133.10120	53.5
135.11678	95.0
137.09583	10.5
137.13193	4.0
145.10092	4.3
147.04396	5.4
147.11661	42.6
149.09627	12.8
149.13290	15.1
151.07545	9.0
151.11174	13.2
161.09621	3.7
161.13231	18.4
163.14833	13.7
165.12714	8.8
175.03893	5.6
181.06479	4.0
189.09064	3.4
189.12743	7.6
189.16353	94.0
190.16698	3.1
207.06540	9.8
207.08270	4.4
207.11922	5.5
207.13785	28.6
207.17406	100.0
208.09737	4.3
208.17708	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03926	2.7
55.01849	5.4
55.05506	91.2
57.03425	3.4
57.07046	4.1
59.04986	5.2
67.05502	14.0
67.27872	1.6
69.03408	5.8
69.07066	9.0
69.43362	1.4
70.67996	2.8
71.05000	7.7
71.05364	1.3
79.05492	8.9
80.06958	1.8
81.07045	22.7
83.04974	100.0
83.08146	3.0
83.08613	49.5
85.06519	5.9
87.15751	1.6
87.76580	1.6
91.05489	9.7
93.07040	23.5
95.04961	38.6
95.08044	1.7
95.08603	19.7
97.06537	14.1
97.10149	7.9
99.04447	9.9
99.08089	2.2
105.07018	11.1
107.07873	2.0
107.08588	37.3
109.06509	40.3
109.09457	2.2
109.10155	36.8
111.08067	13.9
113.09643	3.4
117.07005	1.7
119.08561	5.3
121.06492	3.1
121.09315	2.9
121.10136	50.2
123.08064	9.0
123.11715	12.0
125.09624	15.2
131.08565	7.0
133.10118	25.3
135.08054	8.6
135.11626	2.5
145.10052	2.0
147.11670	2.4
149.05934	2.9
149.09520	1.8
149.13257	18.1
151.11172	52.1
153.09067	16.1
158.10909	1.6
163.09773	1.5
163.14824	9.8
167.14302	86.9
173.13237	9.9
177.05484	3.9
191.14310	16.7
209.08119	3.6
209.15338	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03920	3.3
55.01870	8.5
55.05507	40.8
57.03418	5.1
57.07061	6.7
59.04985	4.5
64.07578	1.3
65.03909	2.6
67.05492	15.9
68.99770	1.8
69.03069	2.1
69.03423	27.5
69.07061	16.0
69.96995	3.2
69.97409	5.4
71.04987	12.7
71.05888	1.5
79.05492	12.1
79.22418	1.7
80.84594	1.4
81.07052	23.3
83.04977	38.1
83.08613	20.7
85.06539	11.8
91.05476	12.9
93.03401	2.1
93.07039	24.0
95.04969	40.6
95.08595	22.9
96.08916	3.1
97.06517	11.9
97.09226	1.8
97.10162	18.3
98.20728	1.8
99.04437	6.8
99.08087	13.3
99.54364	1.6
103.05460	3.1
105.07013	12.6
106.04184	7.2
107.04924	2.7
107.08579	46.5
109.06513	48.2
109.10150	26.0
111.04424	3.3
111.08060	15.9
113.05975	7.6
113.09663	2.6
117.07046	2.8
119.08573	8.4
121.06472	11.0
121.10133	42.7
123.08070	14.0
123.11673	8.7
125.05993	6.4
125.09619	100.0
127.07510	2.4
127.69141	1.4
131.08536	11.0
133.10121	22.2
135.08054	19.1
135.11710	7.1
137.09608	5.5
139.07527	5.5
139.11171	4.9
145.10144	2.8
147.04446	2.0
147.11693	8.8
148.05235	1.8
149.05981	10.4
149.09607	77.4
149.13213	17.3
150.09946	2.4
151.11177	49.8
153.09093	40.5
154.09903	2.8
155.72025	1.5
158.10895	3.2
159.98428	1.9
163.11148	2.1
163.14815	14.1
165.12706	2.9
167.10733	1.7
167.14294	20.5
173.13266	14.8
177.05438	8.2
191.07037	3.0
191.14291	52.0
209.08040	5.9
209.15359	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05489	6.1
57.07071	3.5
57.31180	2.5
59.04993	2.7
67.05508	32.2
69.03426	6.2
69.07064	4.1
69.72175	8.6
69.72601	11.2
71.04985	4.5
79.05470	8.5
81.07050	13.6
83.04964	5.6
85.02886	3.4
85.06533	14.4
89.06478	2.3
91.05473	18.9
93.07040	24.8
95.04972	6.1
95.08598	100.0
105.07037	25.7
107.08588	36.1
109.06512	7.3
109.10142	11.1
111.08095	3.6
113.06007	3.2
117.07003	2.7
117.59843	3.1
119.04961	5.1
119.08569	34.0
121.06477	7.3
121.10145	22.6
123.08073	48.4
123.11751	6.8
131.08580	6.2
133.06441	2.6
133.10139	20.8
134.99973	3.1
135.11688	31.3
137.09622	9.0
137.13280	3.7
145.10085	5.0
147.03348	2.9
147.04419	9.9
147.08047	3.9
147.11679	29.1
149.09618	49.9
149.13225	4.4
151.07539	6.1
151.11162	4.0
151.14877	5.6
156.09338	2.8
161.13234	23.3
163.14854	5.9
165.09154	2.9
165.12744	10.7
171.11668	7.2
175.03926	8.3
178.73123	2.8
179.14171	3.5
185.77386	2.5
189.12785	22.8
189.14342	3.2
189.14650	3.5
189.16371	36.4
189.17944	4.7
192.04231	2.8
207.03056	2.6
207.06506	11.1
207.10046	4.2
207.13795	56.6
207.17383	28.1
207.93073	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1743
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.64492	2.0
52.60022	2.5
55.05493	7.8
55.10949	2.0
57.03416	3.9
57.07080	5.1
57.81503	2.4
59.24575	2.5
63.51815	2.2
65.35197	2.0
67.05503	17.0
69.03421	4.5
69.07062	11.1
71.04991	4.2
71.35960	2.2
71.36289	2.7
79.05476	10.8
81.07047	20.5
83.04955	2.7
83.08598	2.8
85.06519	10.7
88.27312	2.1
91.05468	21.8
93.07033	31.6
95.04971	5.8
95.08603	54.3
97.06535	2.2
99.08096	2.4
105.07027	32.5
107.08588	69.1
109.06520	8.0
109.10130	15.4
111.08081	4.5
115.80746	2.2
119.04955	4.1
119.08581	42.7
121.06487	2.4
121.10150	16.3
121.52380	2.0
123.08072	19.7
123.11677	14.6
125.09664	3.1
131.08562	4.9
133.10117	46.2
135.11687	100.0
137.09639	9.9
137.13194	2.7
145.10109	2.8
147.04420	4.9
147.11679	30.7
149.09615	9.8
149.13248	8.3
151.07481	3.5
151.11159	13.7
161.13228	12.5
163.14813	13.9
165.12778	6.8
175.03883	5.1
189.12767	5.4
189.16379	90.2
207.06520	7.4
207.12044	4.0
207.13823	18.1
207.17448	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03937	6.6
55.01854	3.9
55.05486	14.3
57.03433	4.9
57.07065	11.4
59.04985	3.7
65.03920	4.1
67.05504	51.8
69.03419	7.6
69.07063	12.4
71.04983	9.6
71.62390	4.6
77.03913	3.9
79.05485	48.0
81.03407	6.5
81.07059	34.8
83.04964	9.9
83.08643	7.1
84.95851	3.0
85.02886	3.9
85.06546	13.8
91.05473	69.4
93.07035	85.9
93.22385	3.1
95.04972	19.6
95.08598	100.0
97.06535	6.2
105.07025	53.7
107.04939	6.2
107.08586	37.4
109.06520	16.3
109.10148	14.8
111.08060	7.2
115.96441	6.5
116.97183	2.9
117.07005	6.8
118.04246	3.6
119.04926	27.6
119.08564	49.2
121.06487	9.0
121.10126	23.9
123.04455	3.9
123.08058	65.3
123.11657	15.5
125.09621	3.5
129.06985	7.6
131.08504	6.4
133.06503	8.5
133.10130	23.4
133.97449	5.6
135.08026	4.0
135.11659	12.1
136.05182	5.8
137.09615	14.8
143.08585	4.4
145.10126	11.6
146.03561	4.9
147.04369	19.3
147.08029	9.2
147.11674	64.5
149.02361	6.0
149.09630	38.2
149.13266	5.2
151.07512	19.6
151.11134	2.9
156.99028	2.8
159.07988	3.8
161.09587	9.6
161.13246	27.3
163.03915	6.5
163.11232	6.4
164.04704	8.9
165.09070	3.9
165.12708	14.4
171.11722	28.4
174.03156	5.3
174.10352	3.2
175.03873	18.1
179.07019	7.6
179.14345	3.9
189.05417	3.3
189.09154	5.5
189.12744	36.6
189.16370	15.6
192.04147	8.4
192.09392	2.9
207.02930	6.5
207.06509	50.0
207.10046	7.9
207.11832	6.3
207.13766	82.1
207.17348	33.3
208.09666	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.31852	1.1
51.02356	1.5
51.67211	1.1
51.75024	1.0
53.03928	4.8
55.05503	8.9
65.03925	1.8
67.05499	30.1
69.03413	1.2
69.07061	6.6
70.55547	2.4
70.55936	2.5
71.04978	3.1
73.06541	2.2
73.67514	0.9
77.03930	1.6
79.05486	52.9
81.03397	2.8
81.07049	26.9
83.04948	3.6
83.08598	4.7
85.02887	1.7
85.06521	3.9
91.04887	1.8
91.05472	53.8
93.07034	100.0
95.04961	17.8
95.08592	17.6
97.06508	1.1
97.10128	1.8
98.25059	1.0
103.05458	1.2
105.04527	1.8
105.07016	30.4
107.04932	1.8
107.08573	16.6
109.06517	7.0
109.10146	1.6
115.05449	1.1
117.06992	5.0
119.04903	6.3
119.07784	1.6
119.08569	17.0
121.06498	2.6
121.10143	4.0
123.08033	6.9
127.07527	1.3
128.06146	1.4
129.06987	9.5
131.08583	1.4
133.06471	1.1
133.10126	7.2
134.56908	1.0
135.04382	1.4
135.08011	1.3
135.11667	1.7
137.09529	1.3
139.07507	1.1
143.08545	4.9
145.02885	1.7
145.10127	7.0
146.03549	1.8
147.04398	7.3
147.08034	3.8
147.11670	53.7
149.02313	3.3
149.09586	4.1
151.07516	3.0
153.09171	1.3
159.11729	1.0
161.09578	4.5
161.13245	12.5
164.04662	3.9
165.12721	2.6
171.11678	26.0
174.03154	1.4
175.03912	7.7
179.06941	2.8
189.12723	14.6
189.16402	1.5
192.04146	4.8
192.81628	1.2
207.06532	12.9
207.10173	2.3
207.13774	42.4
207.17181	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03922	1.8
54.53053	1.3
55.05498	4.1
57.07063	4.9
65.03944	1.6
67.05167	1.5
67.05504	22.7
69.03419	3.2
69.07058	2.8
69.78515	6.7
69.78923	1.9
75.41010	1.2
77.52919	1.2
79.05491	3.4
81.07061	3.5
83.04977	3.6
85.06544	9.9
91.05465	7.9
93.07043	10.9
95.04945	3.4
95.08603	100.0
98.20701	1.1
105.07034	10.4
107.08595	13.8
109.06514	3.5
109.10126	2.7
113.05988	5.0
113.85167	1.3
119.05002	2.4
119.08560	20.4
121.06497	3.5
121.10131	12.4
123.08064	55.0
123.11712	4.0
125.11494	1.2
131.08549	3.3
133.10124	3.3
135.11729	6.8
137.09604	4.4
137.13264	1.6
147.04427	2.9
147.08063	4.0
147.11691	8.8
149.09610	30.3
149.10724	2.2
151.07501	1.8
151.14809	3.9
161.09622	2.4
161.13274	12.7
161.30986	1.2
163.11150	1.7
165.12778	9.5
171.11676	2.7
174.10417	2.5
175.03903	3.8
179.14304	2.8
189.12756	14.4
191.14098	1.3
207.06506	2.9
207.13785	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03953	0.6
55.05507	4.6
57.07075	4.7
59.05006	1.6
59.65925	0.8
60.49260	0.6
65.03946	1.1
66.37725	0.6
67.05502	24.1
69.03432	3.4
69.07060	2.6
69.34646	3.2
69.35077	2.9
71.04993	2.1
79.05480	3.1
81.07054	4.0
81.93825	0.7
83.04992	3.0
85.06539	12.3
91.05467	6.5
93.07039	11.5
95.04967	3.5
95.08602	100.0
97.06542	1.3
98.20768	1.2
101.44856	0.5
105.06364	1.2
105.07020	10.9
107.04958	1.4
107.08590	17.2
109.06508	3.9
109.10147	2.5
111.08094	0.9
113.06008	6.8
116.06203	1.0
119.04963	1.5
119.08575	21.0
120.09402	1.2
121.06496	2.8
121.10136	13.5
123.08064	49.1
123.11702	5.1
131.08549	3.6
132.40483	0.6
133.06442	1.7
133.10143	4.2
135.08069	1.0
135.11702	5.6
137.09612	3.6
137.13245	1.8
139.07504	1.0
143.08554	0.9
145.10123	1.6
147.04433	1.0
147.08035	3.7
147.11676	10.8
149.09615	32.3
151.07565	2.2
151.14775	4.0
156.09338	1.0
159.07994	0.9
161.09616	1.4
161.13255	18.2
163.11201	1.5
165.09138	2.0
165.12749	12.4
171.11678	3.2
174.10371	2.8
175.03915	1.1
179.07208	0.6
179.14297	3.2
189.12747	18.5
207.06514	0.9
207.13786	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
52.13948	1.1
53.45279	1.1
54.32880	0.9
55.01858	4.3
55.05497	2.6
56.04819	1.1
56.05029	11.6
56.96560	5.7
57.03438	7.8
58.06334	1.5
58.06598	17.9
59.04982	3.6
60.04524	10.8
61.02926	5.3
67.05489	2.3
67.46575	0.9
68.05015	8.2
69.03422	6.6
69.07057	4.2
69.19597	1.1
70.06578	3.8
70.36377	4.6
71.01337	1.9
71.04984	4.0
72.04503	1.7
72.08149	2.8
73.02915	8.4
73.06555	1.1
74.02393	1.3
74.06052	2.3
76.07632	1.6
80.05004	5.9
81.03435	5.7
81.07027	1.4
82.06557	4.3
82.97227	1.0
83.04960	3.7
83.06908	2.5
84.04499	80.2
84.08128	2.9
85.02902	19.5
85.06528	1.7
86.03678	4.3
86.09686	4.1
87.04444	4.5
88.04032	1.4
89.12218	1.0
94.06557	1.4
94.23740	1.0
95.04929	1.8
96.04476	2.0
96.08125	68.5
97.02919	5.0
97.06534	1.0
98.06052	2.9
98.21410	1.3
98.97602	5.1
99.04458	4.3
100.05215	3.2
100.07622	3.2
101.00922	1.0
101.06004	3.5
102.05557	5.9
103.03913	1.7
106.02814	1.6
106.06569	1.5
109.02927	2.4
110.06038	8.5
111.04437	1.5
112.07602	1.2
114.02390	1.2
114.05533	4.0
114.09151	1.4
116.98618	3.4
117.05478	1.4
117.08743	1.3
118.01099	1.5
119.01925	5.8
119.04903	1.4
121.01542	1.6
122.06027	8.0
123.02887	1.1
124.07590	47.0
126.05475	1.1
127.03987	1.5
128.02275	2.9
128.07092	3.2
128.98637	2.1
129.05453	1.3
129.07439	1.9
130.03728	1.2
130.05006	1.9
131.00150	1.8
131.01848	3.4
132.03490	1.3
132.04428	1.7
133.03503	2.2
134.06003	3.6
134.99658	1.8
135.03094	1.9
137.02873	2.1
139.04266	1.1
140.07056	3.4
142.03596	2.2
142.04945	1.7
142.08626	62.3
142.10440	2.5
143.08873	1.4
144.03358	1.6
146.08118	8.6
146.99605	2.6
147.08537	1.2
151.04185	1.9
152.04974	1.2
152.07072	4.9
153.03020	1.1
154.04810	1.4
157.03484	1.5
158.08176	1.1
160.02206	1.5
160.04553	2.1
160.09697	58.1
161.01218	2.7
161.02969	3.1
162.03334	1.2
163.02637	1.7
164.07159	1.3
164.09219	1.3
164.54765	1.1
170.08121	63.5
171.08510	1.5
173.01274	1.3
173.02873	1.1
175.04340	1.4
176.05133	1.3
177.00725	2.4
178.04919	13.6
183.97693	1.4
185.01239	1.2
185.02907	2.5
187.04620	1.0
188.09164	31.9
188.12885	1.5
193.10666	1.5
194.04362	1.6
194.06180	1.7
194.44888	1.0
201.00658	2.9
202.03270	1.1
203.03915	1.9
206.04486	9.9
206.08601	3.9
206.10234	100.0
206.11732	4.6
206.14000	3.2
217.05554	2.2
223.70908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	3.3
70.67976	3.4
80.76604	1.3
88.93832	1.3
89.26149	1.4
95.08617	1.5
98.97616	1.6
100.02472	4.2
101.00877	10.8
116.98659	2.0
118.03507	2.8
118.35744	1.4
119.01913	79.6
120.02016	2.4
121.01701	4.9
122.99862	1.5
124.02443	4.7
134.99698	2.0
137.02951	43.1
137.04004	2.4
138.03076	2.4
139.02679	2.2
141.05081	3.9
142.03493	100.0
143.03699	2.9
144.03244	2.4
159.06178	5.6
160.04552	57.1
161.02982	3.5
161.04591	1.8
165.05132	8.2
178.03857	2.0
183.06163	27.8
184.04616	2.1
191.14331	1.8
200.49936	7.2
201.00534	4.3
201.02475	4.3
201.05673	1.9
201.07256	11.1
201.09720	1.5
206.07800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
51.73151	1.4
55.05515	14.3
56.05025	2.7
57.07071	7.5
59.06125	2.8
65.03930	1.9
67.05504	19.6
68.05025	3.9
69.07063	24.2
70.06587	2.3
70.69257	4.1
79.05482	5.0
79.68410	1.5
81.04522	2.6
81.07045	15.5
82.06567	2.6
83.08614	12.8
84.05611	2.1
85.07675	3.0
88.83547	1.4
91.05454	5.4
93.07035	21.6
95.06084	2.7
95.08600	39.6
96.05580	1.7
97.02872	1.5
97.07652	5.9
97.10163	12.6
98.07177	4.1
98.20695	1.4
105.07034	4.3
107.08591	34.3
109.07671	7.3
109.10149	100.0
110.07146	4.3
111.08035	1.6
111.09213	3.4
111.11729	9.3
112.08737	5.6
113.96413	3.0
119.06113	1.6
121.02879	3.6
121.07635	3.5
121.10143	40.6
122.07121	6.8
123.09193	5.1
123.11683	17.2
124.08686	5.3
125.10722	1.9
126.10280	1.5
131.97444	4.6
134.07123	2.0
135.06647	1.8
135.10669	3.0
135.11687	48.3
135.12709	2.9
136.08774	3.3
137.08195	3.6
137.13220	1.8
146.07152	2.1
147.06621	1.9
147.09169	2.0
148.08688	6.0
149.02332	24.1
149.08289	1.9
149.13252	24.8
149.81790	1.4
150.02753	2.6
150.10275	2.3
154.99043	3.1
161.08084	2.3
162.09100	2.6
162.10292	4.4
163.07489	1.6
163.09818	7.4
163.11029	2.1
163.14862	7.0
164.09322	7.1
164.11868	2.7
165.11333	2.8
184.38223	1.5
189.07462	2.3
189.11372	3.6
190.08566	4.8
191.05762	3.0
191.09377	2.4
205.08771	2.6
205.10374	2.2
205.12141	14.2
205.14403	12.4
205.19527	61.3
206.08179	5.7
206.10165	3.4
206.12024	1.9
206.13947	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03937	0.5
55.01856	0.3
55.05504	2.0
57.07073	10.3
60.04533	0.4
61.02891	0.4
65.03936	4.7
67.05507	2.1
69.03415	1.2
69.07064	3.4
69.40346	2.7
71.08611	0.3
79.05487	2.4
81.03410	1.0
81.07053	8.1
83.08591	1.3
85.02880	1.3
87.04446	0.3
87.56123	0.3
90.08530	0.3
91.05483	2.0
93.03416	1.8
93.06464	0.5
93.07040	8.9
95.04946	0.8
95.08029	0.5
95.08597	5.2
96.08876	0.2
97.02894	5.7
97.10165	0.9
97.36340	0.3
99.04443	1.0
100.96762	0.3
105.07037	2.2
107.08588	5.8
109.02878	3.6
109.06512	0.5
109.10144	4.6
111.04452	1.7
111.11670	0.3
114.18936	0.3
117.07017	0.7
119.08566	0.7
121.02869	11.5
121.03931	1.3
121.05724	0.3
121.06498	1.2
121.10135	20.0
122.03181	0.4
123.08026	0.4
123.11696	2.5
127.03921	0.9
127.05910	0.5
129.06960	0.3
131.08583	0.7
133.10126	0.7
135.08063	0.4
135.11694	4.1
142.03497	0.6
145.06493	0.5
145.10117	1.1
147.08043	0.5
149.02333	100.0
149.13249	9.2
150.02689	3.6
154.98979	0.3
159.11707	1.5
162.10429	0.3
163.07593	0.4
163.11188	0.9
163.14796	0.8
165.05167	0.3
165.11116	0.3
167.03391	2.8
167.34686	0.2
172.08852	0.3
177.12758	1.5
178.05075	0.3
187.07655	0.3
187.11246	0.6
187.82495	0.3
190.04945	2.4
191.05577	0.5
191.14305	5.7
205.04926	0.6
205.08768	0.7
205.12253	4.1
205.14166	1.3
205.15897	1.0
205.19498	5.3
206.08131	1.1
206.11697	0.4
206.16391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
55.01853	0.7
55.05506	6.5
56.96563	3.9
57.06823	0.9
57.07073	13.3
65.03945	3.7
67.05505	6.0
69.03413	1.9
69.07065	11.7
69.65923	1.1
69.66328	4.4
71.04980	1.1
79.05486	6.9
81.03414	2.5
81.07053	25.5
82.69749	0.7
83.08611	3.5
84.04489	1.0
85.02906	3.4
91.05476	5.7
93.03406	1.4
93.07034	26.2
95.04963	2.4
95.08595	20.0
96.04432	0.8
97.02887	11.3
97.04795	0.6
97.10168	4.4
97.97391	0.6
98.21498	0.7
99.04449	1.6
105.07011	5.9
107.00152	0.9
107.04889	0.8
107.08585	16.9
109.02874	6.4
109.06489	1.2
109.10146	15.2
111.04439	0.9
111.11689	2.2
117.07030	1.7
118.73341	0.6
119.08571	3.5
121.02852	9.9
121.03918	1.5
121.06494	2.2
121.10135	60.0
122.10480	1.2
123.08062	1.7
123.11681	6.9
126.95310	0.6
127.03897	2.4
131.08554	1.8
133.10106	2.6
135.08063	1.2
135.11684	12.9
137.13229	1.2
142.03473	0.8
145.06424	0.9
145.10097	2.5
146.06001	0.8
147.08023	1.6
147.11699	1.6
149.02328	100.0
149.09595	0.8
149.13248	22.7
150.02628	3.8
159.11705	2.3
163.11186	2.5
163.14801	2.8
167.03404	3.6
177.12747	2.9
178.97688	0.6
183.10349	0.9
187.11176	2.4
187.14766	1.5
190.04994	2.5
191.14297	0.9
205.04887	1.2
205.06937	0.7
205.08778	3.1
205.12254	9.3
205.14119	2.9
205.15892	3.0
205.19490	18.1
206.08142	3.4
206.11804	1.4
206.19211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
55.05510	13.5
56.05015	6.9
57.07084	11.4
59.06106	7.7
67.02962	2.0
67.05495	25.8
68.05014	8.9
69.03419	3.5
69.04540	3.7
69.07065	26.1
69.50378	17.4
70.06568	4.3
72.93777	3.2
77.13561	2.1
79.05465	7.1
80.04995	4.0
81.04514	5.5
81.07042	28.9
82.05296	3.1
82.06574	4.2
83.06084	8.5
83.08602	8.0
84.05634	2.5
85.02905	3.3
91.05464	4.0
93.07048	13.7
95.04943	3.7
95.06074	10.8
95.08601	48.4
96.05606	4.6
96.06902	2.4
97.02890	7.1
97.07629	10.3
97.10165	7.5
98.07178	5.1
98.20735	3.8
105.07005	4.8
107.06056	4.6
107.08579	23.9
109.02853	5.2
109.05141	2.9
109.06491	2.5
109.07622	9.6
109.10148	100.0
110.07149	9.4
111.07970	2.4
111.09192	6.1
111.11707	14.9
112.08701	6.5
113.96399	5.7
120.05568	2.9
121.02859	7.2
121.06478	8.0
121.07616	7.3
121.10115	25.3
122.07175	15.5
123.06658	4.6
123.09183	10.6
123.11694	8.4
124.08692	8.5
125.08237	3.0
131.08490	2.7
131.97411	10.8
133.10107	2.4
134.07118	4.1
135.06696	3.0
135.11679	19.9
136.08699	8.4
137.05991	2.9
137.08200	6.2
138.06592	2.1
138.10277	2.3
139.05972	2.2
145.10063	3.2
147.06668	4.7
147.09177	2.7
147.11586	2.7
148.07594	2.5
148.08647	11.2
148.09735	2.2
149.02330	59.7
149.08249	2.9
149.09427	3.1
149.13255	15.8
150.10255	6.0
151.09735	3.2
154.99031	3.2
159.11633	4.2
161.08147	3.8
162.10268	9.4
163.06183	2.7
163.07408	2.3
163.09767	17.3
163.11020	4.1
163.14810	6.6
164.09227	12.9
164.11812	5.5
165.11319	3.8
176.11909	2.1
177.08881	2.5
177.11342	2.2
177.12740	5.1
179.12949	2.3
188.09348	2.8
188.11809	2.8
189.11327	8.5
190.08585	8.5
191.05673	2.8
205.06841	3.0
205.10603	27.2
205.12180	29.3
205.14438	22.7
205.16110	3.6
205.19493	61.1
206.08255	17.5
206.10234	4.8
206.11781	27.1
206.13994	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1221
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03934	0.8
54.16594	0.2
55.01854	0.5
55.05499	1.0
56.96558	0.4
57.03425	0.2
57.07072	1.6
58.29558	0.2
59.04979	0.8
60.04495	0.2
61.02920	0.3
65.03928	0.6
67.05496	2.0
68.99782	1.0
69.03407	0.9
69.07069	1.0
71.04963	0.4
71.62601	0.4
73.06517	0.3
79.05484	2.4
81.03428	1.1
81.07050	1.3
83.04978	0.4
85.02894	1.4
85.06534	0.2
87.04388	0.2
91.05470	5.5
93.07027	2.2
95.04964	1.6
95.08629	0.4
97.02891	4.8
97.06528	0.7
98.03230	0.3
99.04438	1.0
103.05444	1.2
104.06232	0.3
105.07023	12.1
106.04111	0.2
106.07351	0.2
107.04970	1.2
107.08563	1.7
109.02866	2.7
109.06505	0.9
109.10136	0.5
110.94560	0.2
111.04464	0.4
111.08126	0.3
115.05415	2.5
116.06213	0.6
117.07010	6.2
119.04908	1.1
119.08578	3.1
121.02870	1.2
121.06499	3.0
121.10134	1.3
122.07240	0.2
123.08051	1.1
124.05184	0.3
125.05977	2.8
127.03925	1.0
127.05865	0.3
128.06184	1.5
128.07016	0.2
129.06984	2.7
130.07779	8.9
131.04941	0.6
131.08580	1.9
131.97398	0.2
132.05646	0.3
133.06479	1.0
133.07513	0.3
133.10129	0.6
135.04352	0.4
135.08040	5.8
135.11674	0.4
136.08734	0.2
137.05963	2.7
137.09587	0.4
139.03889	0.3
139.07526	0.5
141.06927	0.4
143.08546	2.1
144.05742	0.2
144.09291	0.4
145.05278	0.3
145.06464	1.7
145.10112	16.2
146.05977	0.3
146.07159	0.2
146.10530	0.2
147.04387	1.7
147.08032	2.8
147.11719	1.1
148.05159	0.8
149.02328	8.8
149.05972	4.0
149.09601	1.7
149.13210	0.5
151.07561	0.6
154.98970	0.2
155.08484	1.2
157.06459	0.6
157.10159	0.4
158.07251	3.1
159.08034	1.8
159.11662	1.0
160.08771	0.3
161.05978	0.9
161.09630	0.5
162.10396	0.7
163.07518	2.5
163.11160	0.8
165.09082	0.3
167.03314	0.3
171.08080	0.5
172.08807	0.8
173.09601	3.8
174.06723	0.5
174.10286	0.5
175.07518	4.4
175.11171	0.6
176.08263	0.7
177.09077	0.5
177.12747	2.0
177.16325	0.2
187.11021	1.0
187.14822	0.7
188.07019	0.2
189.09087	0.3
190.09897	2.2
191.14268	0.3
205.12221	100.0
206.04233	0.2
206.08163	0.5
206.12596	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	205.097
Annotation	Tryptophan
Peak:m/z	Relative Intensity
53.03950	0.4
55.01848	0.9
55.05503	0.9
56.96561	2.4
57.03421	1.3
57.07078	4.1
58.86066	0.4
60.04516	2.4
61.02913	0.8
61.04850	0.7
63.92926	0.3
63.93248	0.4
64.68056	0.3
65.03934	1.2
67.05482	1.3
68.05043	0.5
69.03421	3.2
69.07047	0.5
70.06577	0.9
71.04988	0.9
71.26630	0.8
72.08141	1.0
73.02901	1.2
74.02422	1.5
76.03980	0.5
78.95284	0.5
79.05471	1.0
81.03416	3.3
81.07037	1.5
83.01318	0.4
84.04482	0.8
84.08134	1.6
85.02898	4.6
85.06551	0.5
85.07650	0.5
86.09669	0.4
87.04454	0.5
88.03970	1.8
91.05469	2.7
93.03397	0.4
93.07041	2.1
95.04970	1.1
95.08626	0.6
97.02887	8.9
98.03204	0.8
98.97574	0.7
99.04456	2.4
103.05443	1.0
105.07024	5.4
107.04931	1.0
107.08590	1.3
109.02880	5.0
111.04438	0.6
114.05544	0.5
115.05420	7.0
116.98598	1.0
117.05743	3.3
117.06999	1.9
118.06549	1.8
119.04948	1.0
119.07324	12.6
119.08585	0.9
119.97874	1.1
120.08078	0.5
121.02857	2.3
121.03934	0.4
121.06490	3.2
121.10142	1.1
122.05999	0.4
127.03920	3.0
129.06981	0.4
130.06512	1.2
130.26492	0.4
131.04938	0.6
131.08574	2.7
132.04483	0.4
132.08087	27.5
133.02858	1.0
133.06465	1.0
133.08504	0.4
133.10123	2.5
134.09630	0.4
134.99661	1.0
135.08075	0.7
135.11633	0.9
139.03864	0.5
142.06516	7.7
144.05656	0.4
144.09291	0.6
145.04953	0.9
145.06505	1.0
145.10130	1.6
146.06012	0.8
146.99602	0.7
147.04404	0.6
147.08037	0.8
147.11696	0.5
148.07538	0.8
149.02338	22.6
149.05980	0.9
149.13251	0.5
158.96300	0.6
159.09171	100.0
159.11703	3.3
160.07556	1.5
160.09570	1.7
161.05927	1.0
161.09550	0.5
162.05376	0.4
162.09152	0.8
162.10396	0.5
163.02802	0.7
163.07521	0.6
163.11188	1.3
163.96805	0.6
167.03413	0.7
170.05911	0.5
176.07083	1.8
177.05472	1.1
177.10275	0.8
177.12695	2.2
178.05013	1.8
181.02899	1.1
181.97850	1.9
187.03912	0.5
187.07542	0.4
187.11089	1.9
188.07101	1.1
190.07492	0.4
205.04964	1.2
205.06615	0.6
205.09706	12.1
205.12212	5.5
205.14085	2.3
205.15947	0.6
205.19519	0.4
206.04478	1.5
206.10146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.097
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
70.67595	1.0
70.67979	1.1
71.82787	0.6
73.75026	0.5
74.02440	1.6
91.05470	1.7
115.05442	2.1
117.05766	1.1
117.07034	2.6
118.06536	36.1
119.06856	0.8
130.06505	3.7
132.07103	0.5
132.08075	8.8
142.06485	3.5
143.07289	3.8
144.04420	1.0
144.08070	19.1
145.06471	0.9
146.06000	80.6
146.75172	0.6
147.06355	1.3
159.09140	7.8
160.07565	1.9
170.06006	6.2
188.07053	100.0
189.07321	0.9
205.09694	2.0
222.61430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0865
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
52.90331	1.2
53.03915	1.8
55.01862	2.6
55.05487	1.4
56.05011	4.0
57.03181	1.3
57.03431	16.2
58.06591	2.2
60.04516	11.5
61.02924	10.4
68.05025	6.9
69.03423	12.2
70.06236	2.1
70.06586	20.7
71.04980	10.1
71.06094	3.9
71.33540	3.1
72.04502	1.4
72.08128	3.8
73.02911	23.6
74.02432	1.9
79.05467	1.3
80.04995	4.2
81.03401	6.7
82.06556	3.7
84.04507	13.2
84.08114	4.6
85.02898	32.1
86.03224	1.2
86.06033	2.5
87.04448	1.6
88.02665	1.4
88.03960	1.2
88.08691	1.8
91.05476	1.7
93.01875	1.7
94.02612	1.2
96.02417	1.9
96.04479	9.2
97.02882	26.1
98.06051	8.0
99.04420	4.7
100.07603	2.5
101.00881	2.6
102.02412	4.3
102.05478	1.3
103.03930	9.3
109.02892	2.6
109.06390	1.2
109.27488	1.6
110.06004	2.8
111.02905	3.5
111.83310	1.5
112.02814	1.6
112.07583	4.4
112.11297	1.1
114.05521	25.7
117.02878	3.2
117.05387	1.6
118.08683	1.3
119.01891	12.8
120.01937	1.9
122.06006	2.0
123.02877	3.6
126.05508	12.8
127.03914	4.4
127.07504	1.3
128.07042	3.6
129.02963	2.2
130.08632	6.8
131.01889	11.3
132.03427	3.8
133.03392	2.4
133.72755	1.2
134.08093	3.0
135.02908	1.5
137.02898	2.8
138.03403	5.9
138.05510	9.8
140.07024	8.2
141.03934	2.9
141.10207	2.6
142.08601	4.4
143.01888	8.5
144.03432	5.6
144.06537	15.7
145.03368	6.3
145.04916	1.9
146.08081	2.4
147.03967	3.4
149.02940	1.8
153.03954	4.5
155.01901	6.7
156.06552	2.3
157.03442	3.5
158.08113	75.1
158.11714	6.7
158.12883	18.0
161.02931	16.5
162.03142	3.3
162.04475	3.2
163.02718	1.8
165.03970	1.6
167.01871	2.2
168.06537	3.9
173.01555	2.3
173.02954	23.5
174.03084	4.0
174.04536	3.2
175.04314	2.3
179.03972	1.5
183.04982	3.3
183.55022	1.6
185.02913	8.8
186.03125	1.6
186.07643	6.6
186.11163	2.1
187.04463	1.4
191.03856	2.2
192.05519	4.1
192.55643	1.6
193.05586	1.8
201.06030	2.0
203.03947	6.6
204.08655	100.0
204.13705	33.6
204.56281	1.9
221.05052	4.7
222.05067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	1.1
55.05257	0.8
55.05505	8.1
57.07060	2.3
60.04501	2.0
67.05500	10.3
68.05032	0.9
69.07063	9.9
70.02605	4.1
79.05495	4.1
81.07054	8.9
81.25758	0.7
83.01352	0.7
83.08607	3.5
84.04481	2.7
91.04969	0.7
91.05479	10.5
93.07043	8.5
95.04897	0.7
95.08601	27.7
96.04466	1.2
97.02881	2.5
97.10156	1.3
97.87245	0.8
105.07021	33.6
107.08585	18.0
109.06502	0.9
109.10151	22.2
114.05516	2.2
117.06979	2.3
119.08575	42.0
121.10137	9.4
123.08121	0.8
123.11697	2.9
126.05511	3.3
128.06238	0.8
129.07005	1.0
130.71635	0.7
131.07860	0.6
131.08578	6.5
132.10890	0.8
133.10120	57.4
134.10423	0.8
135.11665	2.7
143.08591	1.0
145.10097	8.6
146.10844	0.9
147.11674	42.9
157.10107	2.1
159.08005	1.3
159.11682	7.2
160.12474	2.0
160.37720	0.7
161.09633	2.0
161.13249	23.2
173.13283	1.3
174.14049	4.2
175.07544	0.9
175.14832	7.1
185.09677	0.9
185.13214	2.0
203.06863	0.8
203.10606	1.5
203.14330	5.5
203.17944	100.0
204.06693	1.0
204.08658	2.6
204.13820	1.4
204.18326	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	204.0655
Annotation	Doryanine
Peak:m/z	Relative Intensity
52.16980	0.2
56.05032	0.3
57.07062	0.3
60.04522	3.7
64.75082	0.2
68.05015	0.7
69.03419	0.5
70.88242	0.6
72.04510	0.2
72.80536	0.2
79.05463	0.3
81.03407	0.4
81.07059	0.3
84.04507	1.1
84.08134	0.3
85.02887	0.8
89.03910	0.7
91.05470	0.6
93.07040	0.3
95.08581	0.3
96.04482	1.8
97.02885	2.0
98.06052	0.5
99.04472	0.4
103.03963	0.2
103.05478	0.4
105.07047	0.2
109.02830	0.2
109.96351	0.2
110.05984	0.2
114.05512	1.4
115.05448	2.1
116.04982	1.8
117.07005	2.4
120.08890	0.3
121.06459	0.4
126.05505	1.7
127.03887	0.3
127.05344	0.2
131.08588	0.3
134.06035	0.3
134.10423	0.3
138.05492	0.8
144.04471	0.5
144.06522	0.6
145.05196	0.5
145.06467	4.4
149.02296	1.4
155.05995	0.7
158.08102	0.4
161.05946	0.6
162.05487	100.0
163.05817	1.8
164.01375	0.2
168.06567	0.3
173.05963	2.8
184.14244	0.2
186.07570	0.5
186.13605	0.3
189.05534	0.2
189.11568	0.4
190.04958	15.8
191.05309	0.4
204.06548	40.8
204.08525	2.2
204.13786	2.9
204.18279	0.4
205.06793	0.9
205.08640	0.9
205.12183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05500	9.6
56.45820	0.8
56.96564	0.8
57.03435	10.6
57.07070	6.2
60.04506	3.4
67.05499	12.9
68.05028	1.8
69.07061	11.5
70.37321	1.1
70.37669	3.3
71.04955	1.5
71.08624	1.5
78.24172	0.8
79.05492	4.7
81.07050	14.7
83.08602	4.4
84.04495	3.5
85.06510	1.3
91.05465	10.6
93.07032	10.5
95.04945	1.3
95.08599	43.1
95.60806	0.9
96.04466	1.9
97.02869	2.4
97.10137	2.8
98.05999	1.1
98.20852	1.2
100.07603	0.9
103.05437	1.3
105.07018	40.9
107.08577	18.4
109.06476	2.6
109.10146	22.4
114.05507	3.2
117.07013	4.3
119.08571	55.1
120.08938	0.9
121.06538	0.9
121.10124	13.9
122.07156	0.9
123.08046	4.2
123.11660	2.0
126.05504	3.3
128.06229	1.4
129.06941	2.2
131.08536	6.2
133.05234	1.0
133.06470	0.9
133.10115	55.6
135.07925	1.0
135.11661	3.5
138.05444	1.2
142.07790	2.9
143.08549	2.7
144.06528	1.5
144.09344	1.0
145.06435	1.0
145.10104	15.6
146.10742	0.9
147.08049	1.9
147.11673	48.8
155.08353	0.9
157.10156	4.8
159.08025	2.4
159.11685	8.7
160.12531	4.8
161.09636	4.5
161.13252	31.4
162.13596	1.3
163.11214	0.8
170.10883	0.9
173.13257	1.6
174.13937	1.5
175.11212	1.2
175.14780	14.5
176.07007	0.9
179.14319	12.5
180.14644	1.8
185.09602	2.7
185.13287	6.4
188.15405	1.6
203.07028	2.8
203.10640	7.4
203.14334	14.2
203.17937	100.0
204.06644	1.1
204.08627	2.4
204.13834	3.5
205.15860	3.4
219.17422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01857	0.6
55.05507	10.1
57.03430	0.6
57.07068	4.0
59.04993	0.5
60.04526	4.4
65.03934	1.3
65.11947	0.6
67.05499	16.9
68.05021	0.8
69.03410	1.3
69.06709	0.8
69.07063	10.0
70.79753	2.0
71.04997	2.8
71.36751	0.5
72.08174	0.8
79.05484	9.9
81.07052	31.3
83.04976	1.1
83.08623	4.1
84.04488	2.6
85.02902	1.8
85.06483	0.6
91.05474	19.9
93.06458	1.2
93.07035	19.7
95.04970	3.0
95.08598	49.6
96.04457	1.7
96.08943	0.6
97.02864	2.2
97.06510	0.7
97.10142	1.7
100.07613	0.9
103.05461	1.4
104.06190	0.7
105.07021	55.2
107.04874	0.7
107.08588	28.5
109.06488	2.3
109.10147	23.5
111.08079	0.8
114.05492	2.2
115.05414	1.9
116.06206	0.6
117.07013	11.1
119.08573	55.8
120.08889	0.9
121.06459	1.3
121.10133	12.7
123.08047	1.0
123.11695	5.2
126.05477	3.2
128.06215	5.8
129.06985	7.0
130.07756	2.1
131.08557	13.1
133.06508	0.9
133.10117	50.7
134.10451	0.9
135.11681	3.6
138.05469	0.8
141.07004	1.2
142.07784	5.1
143.08554	21.0
143.09688	1.1
144.06535	1.2
144.09309	3.8
145.06461	2.7
145.10107	19.6
146.07199	0.8
146.10843	0.9
147.08038	2.9
147.11671	55.4
148.12128	0.7
155.08542	2.2
156.09341	2.3
157.08789	0.8
157.10106	15.6
159.08070	3.1
159.11661	20.5
160.08791	1.3
160.12378	2.2
161.09604	8.1
161.13240	27.0
170.10925	4.5
173.13242	1.6
175.07550	2.5
175.11143	2.5
175.14822	21.9
176.06982	0.7
185.09709	2.7
185.13240	29.0
188.08224	0.7
192.45442	0.6
203.07008	5.1
203.10693	7.0
203.14308	36.9
203.17938	100.0
203.21974	2.3
204.06772	0.9
204.08659	3.4
204.13832	3.3
204.18250	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	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03831	5.0
71.04198	4.8
72.55062	2.5
84.86524	2.4
100.02521	2.8
101.00881	11.1
119.01910	100.0
137.02943	57.3
142.03484	39.9
142.70616	2.7
160.04549	27.7
161.02945	25.7
163.36124	2.4
165.05148	2.9
178.05693	5.0
179.03995	67.8
181.98154	2.3
184.04567	3.4
202.05626	6.2
220.01932	3.3
223.30252	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	203.1792
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05506	9.0
57.07062	4.1
60.04523	11.9
61.49469	1.7
61.91838	1.9
63.66372	1.9
67.05498	15.0
68.05016	3.1
69.03433	2.7
69.07064	14.3
69.71082	1.8
71.04972	2.1
71.61810	2.6
71.62202	1.8
73.02898	1.6
74.06029	1.9
79.05475	8.5
81.03427	1.5
81.07049	31.4
82.26285	1.4
83.08603	4.7
84.04501	13.4
85.02897	3.2
85.06512	1.6
86.29457	1.4
91.05472	20.6
93.07044	16.1
95.08600	44.8
96.04472	8.3
97.02886	10.7
97.10173	2.4
98.06049	1.9
100.02433	1.7
100.07642	2.3
102.05489	1.7
105.07024	100.0
107.08593	21.4
109.06519	1.7
109.10143	33.4
110.06030	2.1
114.05523	10.8
115.05421	2.2
117.07003	7.5
119.08569	50.2
121.10119	16.9
123.11677	6.2
126.05517	15.6
128.06242	3.4
129.06995	3.6
130.07780	2.1
131.08569	7.6
133.10126	56.0
135.11668	5.2
138.05479	3.8
142.07755	5.9
143.08560	4.7
145.06487	2.7
145.10109	13.5
147.11678	75.5
157.10091	7.9
159.08043	3.3
159.11659	8.4
160.12451	3.1
161.09612	7.8
161.13243	24.2
168.06599	2.2
170.10913	2.9
175.07472	2.7
175.11160	3.9
175.14781	11.6
185.09605	4.3
185.13205	9.3
186.07556	2.6
203.06892	3.9
203.10579	11.4
203.14310	24.1
203.17941	88.1
204.06728	3.3
204.08672	12.7
204.13774	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	203.1793
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03936	1.0
55.01857	0.6
55.05507	10.1
57.03430	0.6
57.07068	4.0
59.04993	0.5
60.04526	4.4
65.03934	1.3
65.11947	0.6
67.05499	16.9
68.05021	0.8
69.03410	1.3
69.06709	0.8
69.07063	10.0
70.79753	2.0
71.04997	2.8
71.36751	0.5
72.08174	0.8
79.05484	9.9
81.07052	31.3
83.04976	1.1
83.08623	4.1
84.04488	2.6
85.02902	1.8
85.06483	0.6
91.05474	19.9
93.06458	1.2
93.07035	19.7
95.04970	3.0
95.08598	49.6
96.04457	1.7
96.08943	0.6
97.02864	2.2
97.06510	0.7
97.10142	1.7
100.07613	0.9
103.05461	1.4
104.06190	0.7
105.07021	55.2
107.04874	0.7
107.08588	28.5
109.06488	2.3
109.10147	23.5
111.08079	0.8
114.05492	2.2
115.05414	1.9
116.06206	0.6
117.07013	11.1
119.08573	55.8
120.08889	0.9
121.06459	1.3
121.10133	12.7
123.08047	1.0
123.11695	5.2
126.05477	3.2
128.06215	5.8
129.06985	7.0
130.07756	2.1
131.08557	13.1
133.06508	0.9
133.10117	50.7
134.10451	0.9
135.11681	3.6
138.05469	0.8
141.07004	1.2
142.07784	5.1
143.08554	21.0
143.09688	1.1
144.06535	1.2
144.09309	3.8
145.06461	2.7
145.10107	19.6
146.07199	0.8
146.10843	0.9
147.08038	2.9
147.11671	55.4
148.12128	0.7
155.08542	2.2
156.09341	2.3
157.08789	0.8
157.10106	15.6
159.08070	3.1
159.11661	20.5
160.08791	1.3
160.12378	2.2
161.09604	8.1
161.13240	27.0
170.10925	4.5
173.13242	1.6
175.07550	2.5
175.11143	2.5
175.14822	21.9
176.06982	0.7
185.09709	2.7
185.13240	29.0
188.08224	0.7
192.45442	0.6
203.07008	5.1
203.10693	7.0
203.14308	36.9
203.17938	100.0
203.21974	2.3
204.06772	0.9
204.08659	3.4
204.13832	3.3
204.18250	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	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98631	0.6
55.01867	0.4
55.05490	1.6
56.05030	3.0
56.96288	0.7
56.96557	10.8
57.07062	1.2
58.06613	0.5
59.06106	1.6
60.04501	1.0
66.07863	0.5
68.05016	0.7
69.07067	2.3
70.06581	0.7
70.07384	0.8
71.02324	0.5
71.02662	0.8
71.95257	1.3
72.04486	0.4
72.08122	0.4
73.06099	0.4
74.09713	3.5
75.58991	0.4
81.07043	0.7
82.06537	0.7
83.06087	0.8
83.08611	0.9
84.08130	0.5
86.06059	0.7
86.09714	0.4
95.06042	0.9
97.07632	0.8
98.06059	0.7
98.10436	0.4
98.97572	29.8
100.02470	0.4
100.03994	0.4
100.07594	1.3
107.08604	0.5
109.07635	0.5
111.11732	0.5
116.00180	0.5
116.01933	0.8
116.97227	1.5
116.98602	50.7
117.97581	0.6
118.03484	1.2
118.96764	1.6
119.01935	3.1
119.02659	0.5
120.02061	0.5
120.03215	0.6
125.07112	0.7
126.05472	0.5
130.00937	0.4
130.03481	1.1
132.05052	0.8
134.01266	0.6
134.02972	3.7
134.99640	100.0
136.00018	1.0
136.04529	1.3
137.02975	2.9
140.00142	1.5
140.07121	0.7
140.08160	0.6
141.05069	0.8
142.03539	0.6
148.97638	0.5
150.06102	0.8
152.04012	1.9
153.00691	44.4
153.04100	1.8
154.01057	0.7
154.03548	0.6
154.96440	1.0
157.04631	0.5
158.01237	12.5
158.02972	1.3
158.04663	0.7
171.01776	0.6
172.09639	0.6
174.06099	0.6
175.05658	0.9
175.98550	0.5
176.02310	5.0
176.04042	4.5
176.05504	0.6
176.98720	1.2
177.00673	3.5
177.01945	1.3
177.03828	1.7
177.98068	1.4
182.04489	0.6
193.06824	0.6
194.03349	0.5
195.01672	3.9
195.04817	1.3
199.18874	13.9
200.02153	0.6
200.03883	0.7
200.05608	0.5
200.08905	0.6
200.10481	1.0
200.14241	0.6
200.19138	2.9
200.20525	0.5
207.83504	0.4
218.03262	0.9
218.05101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0916
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
52.29510	1.1
53.03916	1.1
55.01854	1.0
55.05489	2.7
56.05024	2.3
56.96563	13.7
57.03400	2.1
60.04514	1.9
61.02910	1.7
62.72079	0.9
65.03925	1.9
67.05499	9.8
68.05000	2.7
69.03419	8.8
69.07057	14.2
70.06572	4.3
70.11755	2.2
70.12166	2.5
70.94698	0.9
71.04980	1.0
71.95242	1.3
72.08137	3.1
73.02903	1.8
73.92394	1.1
74.02473	1.0
74.06070	2.2
79.05466	3.1
80.05007	3.9
80.74815	1.0
81.03393	1.0
81.07038	3.5
82.06573	2.3
83.04958	2.9
84.04478	2.7
84.08120	4.0
85.02876	2.9
85.40374	0.9
86.06052	1.3
86.09684	2.3
87.04421	0.9
91.05482	6.2
91.13536	1.1
93.05753	1.8
93.07047	5.6
94.06003	1.4
94.06554	17.8
95.04952	7.3
95.06097	0.8
96.04485	2.0
96.08118	2.4
97.02876	1.7
97.06520	2.6
98.06028	3.3
98.97575	41.3
101.43708	0.9
102.05553	1.5
108.04477	2.7
108.08113	18.8
109.06511	2.7
110.06035	12.8
111.04405	1.5
111.08051	1.4
112.03938	3.2
112.07572	5.3
116.98610	57.5
118.06525	2.2
118.96681	1.5
120.08099	2.8
121.06478	2.3
122.06016	58.8
122.09623	1.3
123.04391	2.6
123.06838	1.9
124.07597	3.2
126.05495	1.0
126.09112	4.2
128.07066	2.2
128.98579	1.1
134.05989	1.7
134.99646	71.9
136.06233	2.8
136.07564	56.6
137.05933	1.8
138.05544	1.2
138.09126	4.3
139.07518	3.6
140.00194	2.7
140.07051	78.7
141.07416	1.5
146.99640	2.3
147.04440	1.2
153.00691	22.3
154.04970	2.2
154.08614	49.3
155.07016	1.4
156.10115	1.4
158.01234	8.6
158.99608	1.2
161.54379	1.5
164.07059	12.0
164.10722	3.3
165.05452	2.1
168.55191	3.0
172.09624	1.4
176.02339	2.3
177.00575	4.5
177.98013	1.8
179.54489	1.6
182.08110	65.0
182.11728	3.8
183.08469	2.0
186.07536	1.5
188.54942	2.6
189.00636	1.2
195.01685	4.7
197.55455	10.6
198.05687	1.8
200.09155	100.0
200.12772	26.1
200.18921	1.4
201.09381	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98626	0.8
55.05506	1.0
56.04611	0.4
56.05029	1.1
56.96563	13.7
57.03443	0.6
67.05486	0.5
69.03417	0.6
69.07061	0.7
69.94172	2.4
70.06576	1.5
71.95272	1.7
72.08146	1.8
74.09743	0.4
81.03448	0.5
82.06569	0.9
83.06119	0.5
84.04498	1.3
84.08139	1.8
85.02890	0.6
86.06071	0.7
86.09698	0.8
93.07057	0.5
97.02860	0.9
98.06023	0.6
98.09702	0.7
98.21397	0.8
98.97578	83.2
99.97912	0.8
102.05522	0.5
106.00981	0.5
109.02863	0.8
110.06039	0.8
110.07143	0.5
116.98613	100.0
119.01868	1.8
120.01993	0.5
126.00735	1.5
126.05508	0.7
127.01510	0.7
128.07051	1.1
128.10677	0.5
128.98618	0.7
129.10164	0.6
131.01836	0.7
134.99651	89.8
136.00116	0.8
136.06128	2.4
136.07643	0.7
137.00015	0.5
137.02956	0.6
140.00162	3.0
140.03389	0.4
140.07115	1.0
144.99789	0.6
153.00700	23.8
154.08653	0.7
154.12256	2.2
156.01749	0.9
158.01248	8.3
158.08061	0.8
158.99632	1.3
168.59084	0.5
176.02307	3.2
177.00708	6.7
177.02217	0.8
177.04152	0.5
177.05998	0.6
177.59474	0.5
182.04546	0.7
182.08124	1.7
182.11737	2.2
183.08441	1.3
190.98705	0.5
195.01724	5.7
195.03293	0.5
199.18843	1.5
200.04085	0.9
200.09143	3.6
200.10965	1.1
200.12766	6.0
200.16440	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	199.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
56.05026	3.7
56.96556	8.3
57.07076	1.2
69.07047	2.7
70.31706	4.0
71.42191	0.9
74.09709	3.9
76.76317	0.8
81.07056	1.1
87.68642	0.9
95.08567	1.2
98.97569	49.0
99.05596	2.5
100.02469	2.8
100.07600	1.3
101.00883	2.1
111.04411	1.3
116.01933	9.0
116.97311	8.7
116.98601	52.2
118.03519	9.6
119.01912	22.5
120.02006	1.3
121.01683	2.0
130.03493	2.2
131.99564	2.1
132.05013	1.3
134.02971	100.0
134.99638	50.1
135.03191	2.3
136.03569	1.7
136.04515	8.7
137.02948	15.0
137.04668	0.9
139.03551	2.2
140.00194	1.6
142.03473	1.9
152.04033	26.3
152.05862	1.7
152.96933	2.9
153.00681	13.9
157.04553	20.8
158.01247	8.3
158.02904	7.5
158.04774	1.1
160.04582	3.0
172.04543	2.6
173.07658	2.2
175.04189	2.0
175.05605	10.0
175.98529	8.7
176.02342	8.6
176.04048	37.9
176.05820	7.0
177.00804	1.4
177.03888	1.2
178.05591	1.5
181.04626	1.8
190.05623	1.3
191.08820	1.1
193.06738	3.2
194.03459	1.6
194.05101	22.3
194.06967	2.8
195.01732	2.4
199.04066	1.2
199.05661	7.1
199.07227	1.1
199.18849	14.2
200.04065	1.5
217.04858	1.5
217.06874	5.5
218.05020	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1124
Annotation	Tenuazonic acid
Peak:m/z	Relative Intensity
50.57438	0.4
53.95219	0.3
55.01860	1.1
55.05510	3.3
56.96550	1.0
57.07072	2.3
58.06613	0.4
59.06118	0.4
67.05508	1.9
69.03407	1.3
69.07062	3.8
70.06570	1.1
70.56451	0.5
70.56800	1.5
71.04959	0.7
71.08618	1.1
72.04494	0.8
72.08142	0.6
72.93797	0.4
73.02877	0.4
79.05470	2.2
80.05003	1.4
81.03414	0.6
81.07051	1.5
82.06570	0.8
83.04958	0.8
83.08611	3.3
84.04459	0.6
84.08134	0.8
85.02898	1.8
86.06061	1.1
91.05476	1.3
93.05789	0.4
93.07021	1.6
94.06559	1.2
95.04936	0.7
95.08605	1.4
96.04477	0.8
96.08093	2.1
97.02863	0.5
97.06535	0.7
97.10192	2.2
98.06004	0.4
98.97581	0.9
100.07603	1.2
103.05429	0.4
105.07018	1.1
106.06545	1.7
107.04930	0.9
107.08576	1.5
108.08122	1.9
108.08743	0.4
109.06505	0.7
110.06009	0.5
110.09664	0.5
111.04427	0.5
111.08050	0.7
114.05507	1.2
114.09177	0.6
115.03944	0.6
116.97210	1.6
116.98605	1.1
117.06987	1.5
119.07292	0.4
120.08108	6.0
121.06429	0.4
121.10149	0.4
122.09646	2.0
124.07578	0.9
124.11227	0.5
126.01046	0.9
126.05489	1.3
130.99730	0.4
131.99547	0.9
132.08086	1.2
133.05231	1.4
133.06363	0.5
134.06009	1.8
134.09641	6.9
134.10616	0.6
134.99629	0.9
136.07541	0.8
137.06021	0.5
138.05608	0.4
138.09123	3.8
140.04669	0.4
140.07077	0.6
144.08092	0.5
145.06447	0.5
147.06761	1.4
148.07552	1.4
150.09137	11.5
150.96902	1.0
151.07542	1.0
151.96980	0.9
152.07056	1.0
152.10696	4.0
156.10181	0.8
162.05487	0.5
162.09129	20.1
166.08617	1.7
168.10159	2.6
169.08623	0.6
170.11658	0.4
173.98494	0.6
174.98674	0.9
175.98512	1.8
180.10178	16.8
186.03523	0.4
198.11246	100.0
198.18517	82.3
199.07576	0.8
199.11528	1.9
199.18852	1.0
206.39429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1124
Annotation	Chrysogedone B
Peak:m/z	Relative Intensity
51.30210	0.2
51.66986	0.2
53.03960	0.4
55.01868	1.2
55.05505	4.7
56.05032	0.6
56.27005	0.2
56.96558	1.1
57.07074	2.8
58.06606	0.5
63.89379	0.2
64.99992	0.2
67.05500	2.8
68.05038	0.5
69.03422	0.4
69.07063	5.4
70.06590	1.0
70.95863	0.7
71.01352	0.4
71.05001	0.4
71.08637	1.3
71.52950	0.3
71.53291	0.3
72.04512	0.4
72.08152	0.9
72.93802	0.3
74.09727	0.3
77.20264	0.2
79.05484	2.0
80.04993	0.8
81.03403	0.5
81.07043	1.7
82.06576	0.9
83.04983	0.8
83.08611	4.3
83.87897	0.3
84.04483	0.6
84.08118	0.8
84.48603	0.2
85.02897	0.7
85.06535	0.3
85.10180	0.3
86.06055	1.4
91.05478	1.3
93.07038	1.9
94.06585	1.5
94.07131	0.2
95.04934	0.5
95.08582	1.0
96.04462	0.7
96.08116	1.1
97.02859	0.6
97.06524	1.0
97.10166	2.3
98.06051	0.5
98.97546	0.4
100.03983	0.4
100.07629	1.2
103.05460	0.5
105.07059	0.6
106.06552	1.2
107.04950	0.6
107.08559	1.2
108.08114	1.0
109.06491	0.3
110.06033	0.7
110.09665	1.2
111.04435	0.6
111.05569	0.3
111.08064	0.9
112.07572	0.7
114.09192	0.6
115.05438	0.3
116.97212	1.6
116.98632	0.8
117.07018	1.3
118.06563	0.4
119.07315	0.4
119.08617	0.4
120.08104	9.2
121.10122	0.5
122.06033	0.5
122.09663	0.4
124.07533	0.7
126.05527	0.5
126.09158	0.3
127.03898	0.3
128.07100	0.2
128.10709	2.1
129.99487	0.3
131.99574	0.5
132.08072	0.5
132.95837	0.6
133.05194	1.7
133.08923	0.3
133.95917	0.3
134.06007	2.3
134.09627	5.3
134.99638	1.0
135.08058	0.3
136.07582	0.5
138.06372	0.3
138.09157	2.2
138.10085	0.4
140.04678	0.5
140.07053	0.6
144.08102	0.7
145.06430	0.5
147.06796	2.2
150.09125	3.4
150.96925	1.8
151.97078	0.8
152.04861	0.5
152.07033	0.6
152.10692	2.1
152.96931	0.6
153.00722	0.3
154.08598	0.4
154.12184	1.2
155.97441	0.3
156.07735	0.4
156.10208	3.8
156.97664	0.3
162.09134	35.8
163.09517	0.5
166.08566	0.3
168.10239	0.7
170.11774	0.3
173.98421	0.6
174.00745	0.7
174.98720	1.5
175.98534	1.8
176.02309	0.3
180.10175	17.0
198.11249	38.4
198.18518	100.0
198.60248	0.3
199.11536	0.6
199.18889	1.2
215.81375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
52.68986	1.2
55.01857	2.0
55.05498	5.6
56.72178	1.2
56.96592	1.5
57.03414	1.8
57.07071	6.5
58.78438	1.3
59.04997	1.5
61.02918	2.1
63.93988	1.2
67.05511	7.5
69.03414	3.0
69.07053	5.9
69.38332	12.0
69.38747	3.6
70.95857	7.0
70.96191	1.2
71.04980	3.1
71.08604	2.3
72.93784	3.1
74.99603	1.2
79.05507	9.2
81.03374	1.4
81.07057	16.2
83.08611	3.4
84.15498	1.2
85.06518	5.3
91.05479	15.4
93.07037	20.1
95.04948	5.7
95.08611	13.0
97.06522	2.4
99.04453	1.4
99.08112	1.6
105.03373	1.9
105.07021	29.5
107.08583	100.0
108.08936	2.1
109.06533	8.2
109.10137	16.8
111.04376	1.7
111.08042	2.0
111.98468	6.9
113.08242	3.6
113.90487	1.5
119.04922	3.0
119.08572	14.7
121.06510	3.3
121.10134	17.1
123.08044	3.5
123.11674	8.8
125.05973	5.4
129.99472	6.4
131.08551	4.7
132.95851	7.8
133.02765	1.4
133.10121	63.1
134.10474	1.8
135.11668	14.5
135.60803	1.3
137.05951	7.7
137.08214	2.2
137.09564	4.8
139.07521	6.4
149.09592	10.7
150.96867	27.5
151.03867	4.3
151.07549	4.3
151.11195	17.2
155.09349	1.8
155.97415	8.3
161.09605	20.8
167.10658	28.0
170.15392	2.4
173.97060	1.3
173.98479	23.9
179.09299	2.3
179.10649	57.3
179.17950	4.6
182.05804	1.5
182.10841	2.5
196.99968	2.7
197.08028	6.3
197.10023	3.3
197.11713	86.5
197.13147	3.5
198.18509	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.90951	1.1
53.03923	1.4
55.05500	11.7
57.03412	3.7
57.07073	8.8
60.29461	1.2
67.05497	27.6
69.03403	5.0
69.07062	18.1
69.60136	1.6
69.60538	7.5
70.95856	4.1
71.04977	3.3
71.08595	4.4
72.93771	3.6
79.05474	6.8
81.07044	38.1
83.04949	2.6
83.08585	6.3
84.78328	1.2
85.06528	3.1
88.96884	1.3
91.05466	3.2
91.16640	1.3
93.07015	6.3
95.04932	3.0
95.08595	75.1
97.10168	1.7
105.07045	7.2
107.08579	13.8
109.05779	2.0
109.06502	32.4
109.10141	61.4
111.08057	3.5
111.98437	4.1
113.06011	1.5
119.08540	4.5
121.10118	10.0
123.08050	30.7
123.11676	9.4
124.08812	5.8
125.06023	1.4
125.09566	2.5
127.07549	12.1
129.99469	3.7
132.95822	5.6
133.10118	8.7
135.11705	8.0
137.05946	2.0
137.09599	25.2
137.13219	8.4
141.09169	1.5
150.96860	18.1
151.03883	2.1
151.11163	1.6
151.14807	47.9
155.10635	2.6
155.97409	7.0
161.09546	2.5
161.13277	5.9
173.98470	13.3
174.98892	1.1
179.10788	9.0
179.14285	84.8
197.00110	2.2
197.11708	10.8
197.15338	100.0
198.15724	1.8
198.18475	25.4
198.81436	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03926	1.3
53.46479	0.9
55.05501	2.0
57.07062	1.6
59.04987	2.6
65.03951	0.8
67.05490	6.2
69.03394	1.1
69.07069	1.8
69.61320	7.5
69.61646	1.4
76.04394	0.9
79.05490	4.7
81.07037	7.1
83.05006	1.4
85.06532	1.5
87.04440	0.8
91.04942	1.7
91.05466	14.4
93.07032	21.1
95.04943	6.8
95.08594	3.5
105.07024	26.1
107.04938	1.4
107.08584	62.5
108.08909	1.4
109.06520	5.4
109.10166	6.6
115.05437	0.9
117.47141	0.9
119.04904	1.9
119.08563	7.8
121.06488	5.9
121.10128	2.0
123.04397	3.2
123.08085	1.2
123.11655	4.4
131.08560	2.6
133.10120	61.3
134.10466	1.5
135.08107	1.7
135.11679	54.4
136.12045	1.4
137.05949	4.4
137.09586	4.1
143.08527	2.0
146.07243	1.8
149.09532	0.8
151.11185	5.0
161.09601	31.4
179.10660	100.0
180.11043	2.5
182.05777	1.1
197.11717	99.6
198.12096	2.0
198.18480	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	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03918	0.8
55.01867	2.2
55.05513	7.1
57.03404	0.9
57.07063	1.3
59.04998	1.1
67.05497	2.8
69.03426	1.9
69.07050	1.3
69.39230	0.8
69.39565	8.8
70.95860	5.6
72.93769	2.2
73.02892	1.5
79.05482	8.9
80.04997	0.8
81.03370	1.1
81.07055	11.6
83.04949	0.8
83.73203	0.7
88.96908	1.5
91.05475	14.3
93.07041	16.0
95.04934	3.7
95.08601	3.5
97.06528	4.3
99.04474	4.1
105.03411	1.2
105.07024	22.9
107.08589	100.0
108.08901	1.0
109.06518	8.2
109.10141	7.8
111.04444	1.2
111.98460	4.3
113.08255	1.9
119.04953	1.5
119.08565	11.8
121.06481	3.2
121.10139	8.1
123.04418	0.8
123.08039	1.7
123.11683	3.2
125.05983	28.4
127.03909	10.2
128.06163	1.0
129.99489	4.1
131.08551	2.3
132.95845	5.5
133.06509	1.3
133.10124	56.8
134.10480	1.4
135.11703	10.7
137.05972	41.4
137.09605	7.1
139.07541	2.2
143.08542	3.6
149.09621	5.7
150.96881	17.7
151.03874	2.8
151.07498	1.2
151.11177	13.4
155.09239	1.5
155.97450	6.0
161.09604	21.6
167.10677	14.6
173.98494	14.5
179.10663	44.2
179.14224	1.4
197.00092	1.7
197.11713	68.5
198.18498	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78534	0.9
55.01852	2.3
55.05500	12.7
57.03422	1.4
57.07066	3.0
59.04966	2.1
59.06102	1.3
62.88546	1.0
65.03912	1.2
67.05499	7.1
69.03403	3.3
69.07043	4.8
69.47073	7.9
69.47483	2.2
70.95852	10.6
71.04990	2.3
72.08134	1.9
72.93791	5.6
77.58141	1.2
79.05489	6.0
81.03407	1.5
81.07047	15.9
83.04959	2.8
83.08596	2.1
85.06512	1.8
88.96909	2.7
90.94819	1.1
91.05476	19.8
93.07037	22.0
95.04961	7.4
95.08617	6.7
97.06514	6.1
98.06106	1.1
99.04442	5.2
105.03370	2.8
105.07021	31.3
107.04910	2.1
107.08581	66.4
108.08889	1.3
109.06509	10.1
109.10140	8.0
111.08085	1.3
111.98495	8.3
113.05974	1.2
113.08252	5.6
113.96389	2.1
117.07047	1.2
119.04915	4.1
119.08564	10.1
121.06493	4.7
121.10073	3.7
123.04428	4.5
123.08075	2.4
123.11686	4.7
125.05981	38.6
127.03901	11.8
128.06212	1.8
129.99515	9.0
131.08554	2.9
131.97412	1.5
132.95808	10.8
133.02835	2.4
133.06441	1.4
133.10115	66.7
135.11679	52.4
137.05962	31.2
137.08200	4.5
137.09587	6.9
138.06471	2.1
139.07518	1.3
141.05415	1.6
143.08591	2.7
145.04930	1.7
146.07217	1.8
149.09631	1.3
150.96866	34.7
151.03879	6.2
151.07559	2.3
151.11165	8.7
153.01044	1.4
155.09369	5.4
155.97418	12.9
161.09605	36.1
161.13248	1.6
165.05476	2.2
167.10670	3.7
168.97961	3.3
169.10143	1.9
173.98483	31.4
179.07092	3.4
179.10652	100.0
180.11043	2.5
197.00092	2.4
197.04422	2.4
197.05951	2.9
197.08006	4.1
197.11710	85.7
197.13141	4.1
198.11998	2.5
198.18504	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
56.05022	1.9
56.96556	7.7
57.03423	1.7
57.07070	1.2
58.65395	0.7
59.06100	0.8
60.08164	1.7
67.05485	1.4
68.05013	1.8
69.03408	2.3
69.07059	1.2
69.99039	4.0
70.06578	2.5
71.01353	0.7
71.04984	1.4
71.06100	2.3
72.08132	1.1
73.02901	1.6
78.56358	0.7
79.05470	0.9
81.07047	2.1
84.08136	1.4
85.02890	1.1
91.05452	2.3
93.07045	1.8
95.04953	1.7
95.06087	9.9
95.08634	1.0
96.05596	2.2
97.02871	2.8
98.97554	1.9
100.02472	3.1
101.00881	1.2
101.99956	0.7
102.92567	0.7
105.06999	2.8
106.00299	1.3
107.08595	6.7
109.06506	0.8
109.07598	0.8
109.10137	1.0
110.07144	0.9
110.25614	0.7
111.98477	0.7
113.08250	15.1
113.09032	1.1
114.04018	0.8
116.98611	1.9
118.03523	3.8
119.01908	11.9
119.08600	1.1
120.03271	1.0
120.05031	1.1
121.01637	1.1
123.07954	1.0
129.49173	1.0
129.98985	1.3
130.03479	2.0
131.01907	5.2
131.96208	0.7
132.05043	10.3
133.10152	5.3
134.99673	3.5
135.00522	1.2
135.11713	4.5
136.93068	4.7
137.02950	6.5
137.05959	1.5
137.08226	6.8
137.09296	1.0
137.09482	0.8
137.99751	3.6
138.06668	1.0
138.49739	5.3
138.99596	5.3
139.49641	0.9
139.99759	0.7
140.07074	1.1
142.02022	0.9
142.03406	1.3
142.08597	0.9
143.06650	0.7
143.99638	0.9
144.49741	3.1
144.99529	5.7
145.03455	1.1
145.50546	1.0
146.51363	0.8
147.03708	1.2
148.04520	1.4
149.02950	4.0
149.97235	1.0
149.99567	0.8
150.00697	0.9
150.06110	10.4
150.49716	2.1
150.96841	2.1
150.99554	2.4
151.03882	2.8
151.06139	0.9
151.09818	1.1
152.08163	1.1
153.50269	2.6
154.00055	2.3
154.03473	2.1
154.13364	1.7
154.94148	16.2
155.09308	7.7
155.97401	0.9
156.01492	0.8
156.05069	1.5
156.97459	9.4
157.99434	1.0
158.03877	1.2
158.49500	0.9
158.99272	1.1
159.50250	3.6
160.00075	3.5
161.02985	0.8
161.09618	2.2
162.00578	1.2
162.04456	1.1
163.04535	0.9
164.99240	1.7
165.04828	1.4
168.50856	0.9
169.09715	2.3
171.01721	0.8
171.04698	1.0
171.97057	1.3
172.04602	1.6
172.95230	91.7
173.50046	7.3
173.95631	1.0
173.98425	1.8
173.99852	7.2
174.02629	1.4
174.06128	39.0
174.49846	1.3
174.95761	1.4
174.98538	25.6
175.06447	0.9
175.98552	1.0
176.98230	1.3
177.02483	0.9
179.06949	1.3
179.09244	5.2
179.10677	8.7
179.99057	20.1
180.97620	2.0
182.50568	4.5
183.00414	5.2
185.00858	1.5
185.50757	1.3
190.96275	100.0
192.03429	1.0
192.07159	16.2
194.05017	1.0
195.96825	7.5
196.87939	23.3
196.95367	1.6
197.06155	1.3
197.07739	4.1
197.10194	3.0
197.11728	6.0
198.00151	35.5
198.18556	1.7
203.00706	1.7
208.97278	2.6
213.97874	4.8
214.96498	26.3
215.01724	1.0
215.96645	2.8
216.01202	8.1
216.96228	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	195.1492
Annotation	Tetrahydrocytisine
Peak:m/z	Relative Intensity
55.05497	1.1
56.05024	0.3
56.96564	0.5
58.06591	0.6
60.46146	0.3
67.05508	0.4
68.05013	0.5
69.03413	0.4
70.06586	1.3
71.04966	0.4
71.24723	0.8
71.28535	0.3
72.08137	0.4
75.53171	0.3
75.73914	0.3
79.05504	0.5
81.03414	2.9
81.07052	1.3
82.06564	0.4
83.07355	0.4
84.04500	0.5
84.08140	0.7
85.02922	0.4
91.05479	0.4
93.07042	0.6
93.68314	0.3
94.06556	0.5
94.85918	0.3
96.08142	1.8
98.09686	73.9
99.10000	0.9
108.08085	0.4
109.02865	1.4
109.08887	0.4
110.06026	1.1
124.07611	1.8
124.11221	20.3
131.96123	0.4
138.12808	0.6
149.97186	1.2
150.12766	1.0
152.10744	2.3
153.10222	7.9
153.11418	0.5
166.12265	6.3
172.98776	0.5
184.04922	0.4
195.14915	100.0
196.15257	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	195.1492
Annotation	Tetrahydrocytisine
Peak:m/z	Relative Intensity
50.89268	0.1
53.03936	0.5
55.01870	0.6
55.05499	0.9
56.05029	0.6
56.96560	4.9
57.03434	1.2
57.07075	0.1
58.06594	3.1
59.04988	0.2
60.04522	0.2
60.05629	0.2
60.95845	0.2
61.02904	0.6
65.03923	0.2
67.05487	0.5
68.05017	0.2
68.96313	0.2
69.03427	2.0
69.07054	0.5
69.96172	1.1
70.06579	2.1
70.98093	0.2
71.01331	0.3
71.04990	1.9
71.62070	0.2
71.62445	0.2
71.94103	0.3
71.95267	0.2
72.08148	2.0
73.02921	0.9
74.06075	0.8
74.97593	0.2
75.04459	0.4
77.00800	0.1
79.05479	0.7
80.05013	0.2
81.03412	13.5
81.07034	0.6
82.03733	0.2
82.06582	0.3
83.04970	0.3
83.06102	0.2
84.04503	0.9
84.08138	4.0
84.95994	0.2
85.02900	2.7
85.06535	0.3
85.08464	0.2
86.03677	0.1
86.09695	1.2
87.04453	0.3
88.99143	0.2
89.06023	0.4
91.05482	0.4
92.52850	0.1
93.07049	0.8
94.06570	0.5
95.04950	0.5
95.08594	0.3
96.04487	0.2
96.08118	0.5
97.02892	2.1
97.06527	0.3
97.99158	0.2
98.06046	0.3
98.07183	0.3
98.09684	14.2
98.97579	2.7
99.04449	1.2
100.02467	0.3
100.05167	0.1
101.02388	0.2
105.07016	0.6
106.06614	0.1
107.04967	0.9
107.08621	0.6
108.04490	0.3
108.08143	0.3
109.02871	8.8
109.06481	0.3
109.10104	0.2
110.01319	0.2
110.03233	0.2
110.05993	0.3
110.07191	0.3
110.09648	0.3
110.97544	0.2
110.98784	0.2
111.02051	0.3
111.04465	0.2
111.09188	0.2
112.07593	0.2
112.99197	0.2
113.05991	0.3
113.07137	0.1
113.95208	0.1
114.09167	0.5
115.03930	0.2
115.97832	0.2
116.00212	0.2
116.07094	0.3
116.98613	2.4
117.02007	0.2
117.05676	0.2
118.03522	0.4
118.06498	0.1
119.01868	0.7
119.08546	0.4
120.02576	1.0
121.06448	0.2
121.10110	0.3
122.05986	0.3
122.07112	0.2
122.09647	0.3
123.03010	0.1
123.06736	0.3
124.07581	0.5
124.11193	0.5
125.03440	0.1
125.09635	0.2
127.00684	0.1
127.03909	1.5
128.02290	0.2
128.98578	0.4
129.10197	1.0
130.04939	0.2
130.08598	0.5
130.96255	0.2
131.00159	0.5
131.01878	0.4
131.96135	3.6
132.02547	0.3
132.08061	0.3
133.03418	0.2
133.06496	0.3
134.05994	1.5
134.99634	2.3
135.06662	0.2
135.08026	0.2
136.06151	0.2
136.07605	0.7
136.11192	1.3
137.06044	0.1
137.07074	0.2
138.02505	0.3
138.05460	0.3
138.06586	0.3
138.09134	0.3
140.02309	0.3
141.03114	0.2
141.10176	0.2
143.00121	0.2
145.01660	0.2
145.03304	0.5
146.02258	0.2
146.99641	0.5
147.03101	0.5
147.04314	0.3
148.03864	0.2
148.07492	0.2
148.11139	0.1
148.97394	0.3
149.01222	1.0
149.02901	0.2
149.05850	0.2
149.09531	0.2
149.97188	9.6
150.00684	0.3
150.07808	0.5
150.09126	12.8
150.12750	0.4
151.06148	0.2
151.09500	0.3
152.05811	0.2
152.07051	3.8
152.10655	1.2
153.00673	0.5
153.05464	0.2
153.07674	0.2
153.08971	0.3
153.10213	4.1
154.03792	0.2
154.06232	0.1
154.08585	0.3
154.97723	1.7
157.04367	0.2
158.99635	0.6
159.03207	0.2
160.07559	0.4
161.01207	0.5
161.03011	0.2
161.04593	0.2
163.02733	0.3
163.04002	0.6
163.08603	0.3
164.10696	1.0
165.00667	0.2
165.06970	0.4
166.08624	0.2
166.12267	0.7
167.02246	0.3
167.15411	0.3
167.98227	1.3
168.04962	0.2
171.01411	0.2
172.04576	0.2
172.95221	0.3
172.98790	5.0
173.01205	0.5
173.02812	0.3
175.04257	0.6
177.00679	1.5
177.05486	0.4
177.08986	0.4
177.10243	0.6
178.07289	0.3
178.08604	0.8
178.12207	0.3
180.09264	0.2
183.04137	1.5
183.54337	0.3
184.04910	2.7
184.55130	0.2
185.01314	0.2
186.54988	0.1
187.02707	0.2
189.00633	0.3
190.96320	0.3
190.98607	0.6
191.00362	0.2
191.02257	1.0
191.03758	0.2
192.04659	1.2
192.54877	0.3
193.05428	0.1
193.13289	0.2
194.54907	0.2
195.01724	0.4
195.14909	100.0
195.55664	0.1
195.64249	0.2
196.00395	0.4
196.09666	6.1
196.15236	2.4
200.02504	0.2
203.02237	0.7
205.03853	0.4
208.99710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.14895	0.4
50.21544	0.3
51.02371	0.5
53.00301	0.4
53.03937	2.0
55.01865	3.6
55.05506	18.1
56.96556	1.8
57.03431	4.5
57.07065	2.5
58.69090	0.3
59.04992	0.6
65.03935	2.8
67.05498	66.7
68.05837	0.7
68.99806	0.4
69.03411	1.5
69.07061	20.0
70.05170	1.9
71.01347	2.4
71.04986	6.2
71.08623	0.7
73.02910	1.1
74.28282	0.3
74.87110	0.3
77.03915	0.5
79.05484	41.9
80.05800	0.5
81.03414	11.8
81.07047	100.0
82.07384	1.1
83.04974	9.8
83.08609	12.8
85.02906	1.5
85.06534	4.8
89.03907	1.3
89.06024	1.2
91.05471	38.3
92.05800	0.6
93.07034	59.3
94.07361	0.8
95.04955	8.8
95.08594	31.4
96.08942	0.5
97.06523	11.7
97.10154	1.5
99.04464	0.8
99.08086	2.0
101.06026	0.3
103.05438	0.9
105.03419	0.3
105.04515	0.9
105.07019	12.3
106.74388	0.3
107.04945	6.2
107.08583	29.1
108.08882	0.3
109.02833	0.5
109.06515	3.5
109.10139	4.1
111.04470	0.5
111.08063	5.6
113.05981	1.0
113.09631	0.7
115.05446	1.2
116.06227	0.4
117.03366	2.7
117.07004	12.2
117.07832	0.7
119.08572	3.5
121.06480	4.8
121.10129	11.7
123.08056	1.5
123.11695	3.2
125.05987	1.3
125.09619	0.7
127.07570	0.6
129.07008	0.9
130.07796	0.4
131.08556	14.5
132.08815	0.5
133.02832	2.8
133.10115	25.8
134.03641	0.7
134.10460	0.8
135.04424	3.5
135.08060	4.9
135.11681	29.6
136.12030	0.8
137.05922	0.4
137.09613	0.5
138.06616	0.8
139.07498	0.9
139.11168	0.6
144.09317	0.8
145.02832	5.2
147.11649	0.8
149.05988	1.9
149.09634	2.0
149.13242	22.3
149.97162	0.6
151.11197	3.7
153.05441	0.5
153.09123	0.8
154.06233	1.3
157.10097	0.9
159.11676	18.0
160.11975	0.8
163.03886	36.6
164.04192	1.2
165.05782	0.4
165.06985	2.3
167.07019	1.1
167.08466	0.6
167.14305	0.7
177.05450	8.4
177.09073	0.5
177.12729	12.3
177.16307	1.1
179.08507	0.4
180.09294	2.0
187.09869	0.3
195.02840	1.2
195.06438	0.8
195.08455	1.7
195.10127	1.4
195.11714	3.9
195.13765	23.5
195.15497	0.8
196.14081	0.3
196.16954	0.3
199.89890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.46078	0.6
53.03938	3.0
55.01878	4.6
55.05506	17.1
57.03434	5.1
57.07063	1.8
65.03929	2.9
67.05499	65.6
69.07061	18.7
69.86956	3.9
71.01348	2.3
71.04993	6.1
73.02922	1.6
79.05485	37.4
80.05824	1.0
81.03416	10.4
81.07050	100.0
82.07388	1.7
83.04975	13.8
83.08609	10.8
83.09061	1.4
85.02894	1.6
85.06536	4.9
89.03886	1.6
89.06028	2.3
91.05476	36.0
93.07038	58.5
94.07369	0.9
95.04951	8.4
95.08599	29.9
96.05272	0.9
97.06521	12.7
97.10174	1.5
99.04454	0.8
99.08097	2.0
103.05415	1.0
105.07023	13.3
106.07372	0.8
107.04951	7.5
107.08585	27.4
107.09282	1.5
109.06520	2.8
109.10155	4.1
111.08060	5.6
115.05456	1.2
117.03381	2.9
117.07004	12.3
119.08591	3.0
121.06495	4.9
121.10130	10.1
122.74474	0.7
123.08083	1.8
123.11736	3.6
125.06006	1.8
125.09650	0.7
127.49310	0.8
131.08572	12.7
133.02982	0.8
133.06509	2.7
133.10115	26.8
135.04434	3.3
135.08037	5.2
135.11676	26.4
139.07552	0.8
139.11237	0.9
144.09290	0.8
145.02884	3.7
146.03284	0.9
147.11740	1.2
149.05957	1.8
149.09621	2.0
149.13246	21.4
151.11166	3.3
157.10223	1.0
159.11693	17.2
163.03891	21.0
163.05205	1.4
164.04326	1.1
165.07001	3.2
167.07074	1.1
177.05453	6.8
177.09210	0.9
177.12744	10.6
177.16428	1.5
180.09393	2.2
195.02908	1.9
195.08655	2.2
195.10265	1.4
195.11797	4.9
195.13855	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03943	3.7
54.25714	1.1
55.01867	4.6
55.05507	20.4
56.96558	1.0
57.03426	6.3
57.07071	3.1
58.46218	1.2
65.03937	2.7
66.51018	1.0
66.57622	1.0
66.92478	0.9
67.05500	71.6
68.05815	1.2
69.03422	1.9
69.07064	20.4
69.75345	4.0
69.75778	4.1
71.01351	2.1
71.04984	5.9
71.95255	1.3
73.02913	1.8
77.03928	1.5
79.05483	45.4
81.03407	16.8
81.07050	100.0
81.25851	1.2
83.04981	11.4
83.08605	15.1
84.97188	1.1
85.02895	1.4
85.06538	5.8
85.24929	1.1
89.03901	2.0
89.06029	4.7
91.04897	1.2
91.05473	39.3
93.07034	63.6
93.62962	1.3
94.07398	1.1
95.04951	9.7
95.08597	34.5
97.06528	14.7
97.10160	1.9
99.04471	1.4
99.08067	1.3
103.05469	3.4
105.04483	1.3
105.07035	14.5
107.04951	15.0
107.07855	1.9
107.08586	35.9
109.06498	3.6
109.10149	5.2
111.04469	1.2
111.08077	7.3
113.09671	1.6
117.03377	5.6
117.07001	14.7
119.08585	3.1
121.06527	5.8
121.10127	14.9
122.38070	1.2
123.08060	2.6
123.11726	2.7
125.05983	3.2
125.09591	1.3
129.06998	1.2
131.08560	17.2
133.02824	3.9
133.06493	11.1
133.10115	29.3
133.11067	2.2
135.04393	5.5
135.08047	7.2
135.11676	32.2
135.12703	2.3
138.06641	2.2
139.03885	1.8
139.07457	1.4
145.02827	7.9
148.97321	1.6
149.05949	3.8
149.09624	3.5
149.13254	24.8
149.97224	1.7
151.11205	5.3
152.06120	1.4
152.07817	1.4
153.09093	1.9
154.06229	5.2
159.11674	18.5
159.12987	1.4
163.03886	52.4
163.07581	3.9
164.04236	1.1
165.06958	8.1
166.38226	1.0
167.07089	2.4
167.08519	2.6
174.87112	1.0
177.05464	15.7
177.06912	1.8
177.09146	3.0
177.12724	15.2
177.16408	2.5
179.08586	1.1
180.09319	6.4
182.86057	1.4
195.02831	6.0
195.06496	2.5
195.08521	7.0
195.10161	6.3
195.11736	14.4
195.13800	24.8
195.15498	2.0
195.17447	1.8
207.06224	1.2
213.30077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03939	1.5
55.01861	1.2
55.05507	11.7
56.96571	0.7
57.03426	2.4
57.07072	3.2
59.05002	0.4
65.03929	0.8
67.05497	7.6
68.99807	0.7
69.03418	1.2
69.07066	5.3
70.17415	2.2
71.04971	1.2
71.08624	0.6
72.05685	0.4
79.05051	0.6
79.05482	8.0
81.03410	1.7
81.07050	18.6
83.04975	2.5
83.08607	3.3
85.02899	0.6
85.06522	1.9
89.03909	1.7
89.06023	1.0
91.05473	4.8
93.07037	8.7
95.04952	2.0
95.08598	11.5
96.08974	0.4
97.06499	2.0
99.08099	0.8
103.05479	0.8
105.07028	4.8
106.04145	0.4
106.07840	0.5
107.04949	6.6
107.08585	16.6
109.02882	0.7
109.06506	9.5
109.10147	14.0
109.10902	0.7
111.04469	2.4
111.08083	2.6
117.03353	3.6
117.06992	0.9
119.08550	2.7
121.06473	1.7
121.10134	17.9
121.87255	0.4
123.08041	6.6
123.11692	5.0
125.05980	100.0
125.09594	4.4
126.06329	1.6
127.07539	8.0
129.06963	1.1
131.08572	1.1
133.02826	0.5
133.08643	0.4
133.10107	1.3
134.03670	0.6
135.04396	1.8
135.07103	0.8
135.08040	7.0
135.08990	0.8
135.11664	3.8
136.08817	2.1
137.05969	0.8
137.09566	1.4
137.13266	0.6
138.06639	0.7
139.07529	1.7
139.11151	0.6
141.09070	0.5
144.09309	1.9
145.02838	7.2
147.08034	0.4
149.06013	2.5
149.09610	10.1
149.13248	11.8
149.97253	0.5
151.14806	3.8
153.05450	0.6
153.09097	5.0
154.06227	1.7
159.11699	5.3
163.03902	5.0
163.07542	0.9
163.56693	0.4
165.06947	1.9
167.07019	1.3
167.08475	0.5
167.14305	11.8
167.98259	0.5
172.98668	0.5
177.05453	12.3
177.09108	1.0
177.12733	10.0
177.16380	1.8
180.09322	1.8
186.05476	0.6
195.02898	1.9
195.06491	1.4
195.08578	1.5
195.10339	2.9
195.11726	2.6
195.13808	10.4
195.15437	0.5
195.17464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03948	0.8
55.01860	1.2
55.05503	0.8
57.03424	0.6
59.92443	0.5
65.03926	0.9
67.05495	0.7
69.07082	0.6
78.04707	0.7
79.05050	0.9
79.05495	11.3
81.03420	2.6
81.07064	0.9
89.06014	0.6
91.05479	7.0
93.07033	2.1
95.04950	5.6
95.08562	0.6
103.05471	9.8
105.07030	11.9
106.04214	0.8
107.04951	100.0
107.08581	3.5
108.05276	0.9
109.02868	1.5
109.06513	0.8
111.04424	0.9
115.05461	8.4
117.03378	1.1
117.07006	2.0
118.27021	0.6
119.04961	1.2
120.05719	2.7
121.06500	1.3
121.10184	1.0
122.03613	0.8
123.04443	1.8
124.05209	2.1
125.06049	1.5
131.04938	1.3
133.06519	0.7
135.04414	1.1
135.08052	29.2
137.05978	1.2
139.03903	1.8
145.02859	1.4
145.06549	0.9
145.07605	1.2
147.04396	2.2
148.05182	1.0
149.06003	1.7
150.09157	0.6
151.03889	0.8
152.04750	1.5
154.06233	8.1
154.85924	0.5
155.92484	0.6
159.11710	0.9
163.03908	2.0
163.07542	42.4
164.08107	0.7
165.05484	1.8
165.06880	1.0
167.07039	43.5
168.07405	0.7
172.98933	0.8
175.97011	0.6
177.05463	3.9
177.09021	0.9
180.07814	8.9
180.09354	1.0
181.08154	0.6
192.36078	0.7
195.02916	1.1
195.10168	55.9
195.11549	2.0
196.10484	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03934	1.4
55.01855	1.3
55.05500	0.7
57.03420	1.1
63.80330	0.5
65.03931	4.3
67.05490	2.0
68.99796	0.7
69.03412	0.7
69.07050	1.3
71.04979	0.6
79.05492	5.5
80.73665	0.6
81.03403	2.7
81.07044	2.9
81.60526	0.5
83.04958	1.1
83.08606	0.7
85.02885	1.3
89.03912	1.1
89.06026	1.6
91.05476	5.4
93.03397	4.8
93.07040	3.4
95.04964	2.8
95.08586	1.8
97.06512	0.5
103.05460	21.9
105.07021	9.1
106.77956	0.5
107.04946	31.5
107.08564	3.2
109.02868	2.4
109.10139	1.0
111.04427	5.4
115.05422	3.4
117.03371	2.8
117.07011	1.5
119.04923	0.6
119.08563	0.6
120.05721	2.3
121.02851	1.0
121.06484	2.5
121.10162	3.0
121.10933	0.5
124.05178	2.1
125.05972	2.0
125.09657	0.7
131.04919	5.1
131.08556	1.0
132.05659	0.5
133.06381	1.0
133.10159	0.7
134.03647	0.5
135.04408	2.7
135.08038	19.7
135.11674	1.6
137.05934	0.7
138.06592	0.6
139.03888	26.2
145.02827	4.9
145.06403	0.5
145.07553	1.1
148.05208	0.8
148.97443	0.5
149.05960	1.6
149.09592	1.7
149.13239	1.3
151.11134	0.6
153.05385	0.7
154.06233	100.0
155.06653	1.0
159.11697	0.7
163.03902	4.9
163.07536	35.4
165.05650	0.5
165.06993	1.9
167.07082	5.0
167.08429	1.1
177.05444	8.6
177.09088	1.8
177.12680	0.9
177.16418	1.8
180.07875	1.0
180.09323	1.2
195.02907	3.8
195.06430	1.5
195.08662	1.5
195.10152	11.7
195.11723	2.7
195.13512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	4.1
55.01859	4.5
55.05511	14.7
56.96550	2.0
57.03441	5.7
57.07062	3.8
65.03916	2.0
66.40373	1.4
67.05502	61.3
67.05870	2.9
68.05846	1.6
69.03418	3.0
69.07064	21.3
70.03651	6.7
70.06609	1.2
71.01340	2.8
71.04991	5.9
71.95253	3.1
72.93772	1.9
77.03964	1.3
79.05488	39.0
80.91870	1.3
81.03413	11.5
81.07050	100.0
83.04980	11.8
83.08620	12.0
85.02890	2.5
85.06533	5.7
89.03889	4.5
89.06017	10.1
91.05477	25.4
93.07035	57.6
94.31383	1.4
95.04960	11.2
95.08598	33.8
97.06535	13.4
97.10138	1.1
99.04426	1.8
99.08077	2.1
103.05448	4.1
105.07024	12.8
106.04171	1.4
107.04938	15.5
107.07059	1.4
107.08588	30.9
109.02872	2.6
109.06519	5.4
109.10132	4.3
111.04421	2.9
111.08074	6.4
113.09642	1.4
115.05436	1.9
117.03358	9.7
117.07010	9.5
119.04964	1.2
119.08581	4.1
121.06488	4.2
121.10126	17.5
123.07990	1.7
123.11676	3.1
125.05987	3.3
125.09650	1.5
127.99937	1.5
131.08554	12.6
131.96138	2.1
131.97389	1.2
133.02846	4.4
133.06493	3.0
133.08577	2.7
133.10129	15.7
134.03636	2.4
135.04408	10.1
135.08031	8.3
135.11684	32.7
137.06024	1.4
137.09615	1.6
138.06575	7.0
139.03902	2.3
139.11324	1.2
145.02823	17.7
147.11694	1.6
148.97348	3.6
149.05943	8.3
149.09615	5.0
149.12146	2.4
149.13245	22.8
149.97197	5.0
151.11159	3.0
152.06184	1.9
152.07901	1.3
153.09132	1.6
154.06226	9.3
159.11696	20.3
160.59166	1.4
163.03896	67.8
163.07553	5.4
165.05666	2.4
165.06976	14.0
166.02472	1.5
167.06979	4.4
167.08551	4.3
171.98926	1.7
172.98793	3.9
177.05466	30.9
177.09062	4.0
177.12737	15.2
177.16394	8.2
178.13089	1.2
179.08548	2.3
180.07809	1.9
180.09320	11.3
195.02832	6.1
195.06439	2.6
195.08575	12.1
195.10156	4.5
195.11708	25.6
195.13791	18.0
195.15512	2.4
195.17445	4.1
196.16859	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	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02383	0.6
51.36835	0.4
53.03931	1.3
55.01855	1.5
55.05494	1.4
57.03418	0.8
57.07070	0.4
61.43467	0.4
65.03938	4.1
67.05479	1.5
69.03415	0.7
69.07050	1.3
69.34999	1.2
69.35415	3.1
71.04986	0.9
79.05486	7.2
81.03424	2.5
81.07044	2.7
83.04966	1.4
83.08587	0.7
85.02890	1.1
85.06508	0.7
89.03911	1.5
89.06011	1.1
91.05471	4.7
93.03396	4.4
93.07031	2.4
95.04971	2.7
95.08592	2.4
98.21511	1.0
99.08118	0.6
103.05457	20.2
105.07017	8.8
107.04945	31.4
107.08586	3.1
109.02865	1.6
109.06504	1.1
109.10136	1.3
111.00888	0.4
111.04430	4.9
111.08070	0.7
115.05447	3.6
117.03369	3.2
117.07011	1.2
119.04939	0.5
120.05749	2.3
121.02852	0.4
121.06520	2.8
121.10118	3.1
121.49587	0.5
123.04429	0.7
123.08070	0.5
124.05209	2.6
125.05997	2.7
125.09578	0.7
129.06979	0.4
131.04900	4.9
131.08577	0.6
133.02815	0.5
133.06477	1.2
134.03607	0.6
135.04416	2.5
135.08041	19.7
135.11685	1.7
137.05975	0.9
137.13237	0.5
138.06624	0.6
139.03888	24.7
139.07530	0.5
145.02849	7.2
145.06544	0.6
145.07646	0.8
147.04327	0.6
148.05174	0.8
148.97313	0.5
149.05959	2.2
149.09581	1.4
149.13229	0.9
153.05452	0.6
154.06233	100.0
155.06567	1.1
158.60101	0.4
159.11723	0.6
163.03883	5.1
163.07532	38.1
164.07918	0.8
165.05692	0.5
165.06987	1.8
167.07039	5.0
167.08469	0.8
177.05455	9.5
177.09070	1.5
177.12735	0.6
177.16373	1.5
180.07771	1.4
180.09331	1.1
195.02882	2.5
195.06485	0.8
195.08205	1.9
195.10146	12.5
195.11710	2.6
195.13737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0862
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
53.03939	6.6
55.01857	2.7
55.05508	3.8
56.05021	2.0
56.96561	8.8
57.03431	5.9
58.06569	1.9
59.04988	1.4
60.04515	1.7
60.78782	1.1
61.02919	2.7
69.03420	11.3
69.07068	2.7
70.06581	3.4
70.46877	5.4
71.04983	16.5
72.08144	6.2
73.02915	2.3
75.04475	1.9
79.05487	1.2
81.03409	100.0
83.04993	2.5
84.04494	4.5
84.08140	9.5
85.02899	18.1
85.06551	1.6
86.09705	1.7
87.04449	1.3
93.07056	2.4
95.04906	1.4
96.04481	3.2
97.02906	4.1
98.09679	8.4
98.97578	4.5
99.04434	6.8
100.02427	1.8
101.02363	1.8
102.02386	1.3
107.04940	1.8
107.08616	1.4
109.02868	61.6
109.37683	1.1
110.07199	1.4
110.31216	1.3
111.04440	2.0
113.06009	2.7
114.09175	1.4
115.03873	1.6
116.98602	3.1
117.03214	1.3
119.01906	5.0
124.03933	5.3
127.03909	8.8
129.10255	2.3
131.01888	3.2
133.03432	2.1
134.05984	2.3
135.08054	1.5
135.11731	1.7
136.07581	2.0
138.06541	1.4
144.99855	1.5
146.99628	1.5
149.97235	2.1
152.07031	11.9
153.05423	1.6
153.10226	2.5
154.08662	1.4
157.03442	2.2
161.02942	3.6
163.02707	1.8
163.04059	1.7
163.08653	2.8
165.06976	2.9
172.98897	1.7
173.02907	1.6
177.05460	3.4
177.10368	2.4
178.08682	1.7
180.09389	2.2
184.04916	3.5
191.02234	1.4
195.02887	1.2
195.08438	2.4
195.11412	9.1
195.14915	30.8
196.07715	1.9
196.09685	5.1
205.03766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26139	2.0
53.03929	8.0
56.96547	4.4
57.03427	5.0
60.04523	13.1
60.35836	2.3
61.04844	5.5
67.05479	3.2
69.03408	8.6
70.06580	3.8
71.04972	10.8
71.60951	2.1
72.08135	7.4
81.03412	100.0
83.04945	2.5
84.08129	2.3
85.02897	13.2
86.02434	2.2
98.09675	2.6
99.04424	5.0
109.02872	48.5
116.07040	3.4
119.01897	3.4
124.03963	3.2
127.03892	9.2
131.01836	3.3
138.05487	6.9
144.03323	2.4
152.06999	11.4
161.02948	3.8
163.08583	2.7
165.06953	2.8
173.59505	2.3
178.08563	2.8
195.11383	5.2
195.14977	5.4
196.09576	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03941	0.6
53.10994	0.3
55.01849	0.6
55.05502	0.5
56.96550	0.5
57.07071	0.4
61.26386	0.3
63.02385	0.4
65.03931	0.6
67.05489	1.2
68.96349	0.5
69.03414	0.7
69.07069	0.8
69.64492	0.6
69.64899	2.4
71.04982	0.9
78.04693	0.6
79.05484	1.3
81.03418	1.7
81.07047	1.0
83.04983	0.5
85.02886	0.7
89.03907	17.4
89.06013	1.3
89.69614	0.3
91.05470	2.7
93.03403	0.5
93.07045	1.8
94.83205	0.3
95.04953	1.5
95.08595	1.1
97.06501	0.3
103.05456	1.5
105.03384	0.3
105.07023	0.7
106.04164	1.1
107.04951	4.1
107.08601	2.3
109.02872	1.3
109.06535	0.8
109.07599	0.3
109.98945	0.3
111.04425	1.1
111.08022	0.5
115.05455	0.4
115.19997	0.3
117.03364	35.8
118.03695	0.7
119.04906	0.5
121.02895	0.4
121.06475	1.6
121.10134	1.5
123.04298	0.3
124.05178	0.6
125.05968	1.1
130.96321	0.3
131.08559	0.6
131.96114	0.5
133.02864	0.4
133.06491	0.5
134.03629	6.0
134.99628	0.4
135.04404	8.3
135.08015	1.1
135.11673	0.9
136.05078	0.3
137.09589	0.4
138.06580	1.2
139.03844	0.3
139.07602	0.3
145.02827	76.3
146.03140	1.3
147.04395	0.4
148.97337	0.9
149.02379	0.5
149.05966	17.1
149.09584	1.4
149.13254	0.5
149.97162	0.6
150.06380	0.7
150.09114	0.3
152.07933	0.3
153.05461	1.4
153.97894	0.6
158.06044	0.9
162.03105	1.6
163.03896	10.8
163.07545	0.6
165.06961	1.7
167.07018	0.9
167.08478	0.6
171.98940	1.1
172.98831	0.6
177.05449	100.0
177.12744	0.8
177.16316	0.6
178.05832	2.3
179.08521	0.4
180.09276	1.5
186.05493	2.6
191.71614	0.3
195.02899	6.7
195.06641	2.0
195.08543	1.8
195.10159	2.1
195.11716	3.2
195.13683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03944	0.7
55.01852	1.8
55.05503	4.3
56.05002	0.6
57.07068	3.6
59.04989	3.4
67.05500	10.0
69.07065	9.2
69.79073	3.9
71.04960	0.8
79.05477	5.1
81.03410	0.7
81.07052	6.9
81.09603	0.6
83.04968	0.7
83.08614	3.2
85.06537	1.8
91.05479	8.9
93.07036	6.9
95.04961	1.9
95.08604	19.8
98.97591	1.5
103.05458	3.8
104.06280	0.7
105.07027	35.4
106.07401	0.7
107.08576	6.8
109.06519	2.5
109.10154	21.4
115.05444	6.4
116.98586	1.0
117.06982	1.6
118.04137	2.5
119.08576	54.5
120.08885	0.9
121.10135	4.6
123.08035	1.7
123.11698	1.2
131.04939	1.7
131.08553	2.3
132.05682	0.7
133.02849	1.0
133.06488	22.5
133.10121	66.1
134.06885	1.2
134.10841	1.4
135.07979	0.8
135.11688	14.2
137.09618	7.1
143.05977	1.6
145.10110	3.7
147.11678	17.6
149.13258	5.4
151.07506	0.8
151.14810	4.8
159.11656	0.9
160.12482	2.7
161.05974	22.8
173.13304	1.0
175.14821	100.0
176.15125	3.6
177.00772	0.8
178.02481	0.7
178.06242	0.8
193.04947	4.7
193.06786	1.1
193.08588	17.0
193.10266	0.9
193.12268	2.1
193.15887	16.2
193.17627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03930	1.3
55.01856	3.2
55.05503	5.5
57.07072	4.3
59.04983	1.2
65.03938	0.8
66.04710	1.1
67.05494	11.0
69.03404	0.8
69.06709	1.1
69.07060	11.5
70.47492	2.5
71.04981	2.6
79.05042	1.1
79.05484	11.9
81.03407	4.9
81.07048	9.9
83.04969	1.1
83.08618	3.8
84.99105	0.6
85.06539	1.4
89.03929	0.6
91.04893	0.9
91.05464	12.7
91.06007	1.1
93.07034	10.9
95.04960	5.4
95.08598	23.4
97.06505	1.0
99.08073	1.0
103.05454	13.2
104.06266	3.3
105.07018	92.9
106.07328	3.7
107.04950	1.6
107.08582	10.5
108.54137	0.6
109.06485	2.9
109.10145	25.6
111.08066	1.2
115.04667	1.2
115.05441	16.3
117.07005	2.1
117.55746	0.6
118.04145	9.5
119.04953	1.1
119.08568	54.4
120.08854	1.4
121.10128	7.1
123.08079	4.5
123.11713	2.8
128.98508	0.6
131.04933	3.3
131.08516	3.3
132.05733	3.6
132.09334	0.6
133.02852	3.1
133.06479	78.3
133.10114	67.4
134.06796	2.8
134.10568	0.9
135.07977	0.8
135.10670	1.0
135.11674	17.1
137.05959	2.4
137.09595	9.7
143.04985	1.1
143.06032	5.4
145.10088	4.4
147.04381	0.8
147.08054	1.2
147.10486	0.9
147.11665	17.7
149.05948	1.5
149.09564	1.0
149.13275	6.3
150.03169	0.6
150.06718	1.2
151.07541	2.7
151.11150	1.4
151.14806	5.2
157.10149	0.8
159.11682	0.9
160.05199	1.5
160.12476	2.4
161.05966	83.2
162.06271	3.1
165.05452	1.3
165.09088	1.1
173.13229	1.3
175.03897	0.8
175.14806	100.0
176.15166	2.2
178.02637	2.2
178.06271	3.4
178.07700	0.6
193.04974	9.8
193.08592	72.7
193.12067	3.9
193.15868	22.3
194.08841	2.5
194.11644	0.7
199.73808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01875	2.9
55.05509	12.7
56.96552	1.9
57.07066	4.5
58.72960	1.3
59.04977	2.2
65.03925	1.6
67.05499	11.4
69.03420	2.5
69.06718	2.3
69.07063	31.9
70.14236	7.1
71.04993	15.5
77.03917	1.8
79.05480	13.2
81.03394	2.5
81.07055	26.0
83.04959	2.5
83.08605	4.9
85.06533	10.2
87.04455	2.0
91.05474	14.6
93.07032	29.4
95.04959	37.7
95.08595	25.0
97.06505	3.6
97.10172	7.8
99.08099	8.8
103.05465	6.4
105.07021	45.9
106.07336	1.7
107.08582	33.9
109.06507	100.0
109.10148	20.8
110.06847	1.9
111.08061	5.0
111.11725	3.1
113.09566	1.4
115.05453	7.1
117.07030	1.6
118.04128	3.0
119.08577	31.8
121.10130	9.5
122.03636	1.7
123.08070	9.1
123.11695	24.5
125.09564	1.7
131.04974	1.7
131.08514	1.4
133.02827	6.8
133.06479	32.0
133.09114	1.5
133.10114	31.6
135.11682	37.2
137.05954	4.8
137.09608	14.2
143.06044	2.8
147.08046	1.8
147.11678	7.7
149.02298	8.1
149.13237	13.8
151.07532	6.0
151.11169	5.8
161.05962	32.9
165.05489	2.1
169.98944	1.4
175.11055	1.6
175.14807	50.1
176.03439	1.6
176.07004	1.5
177.07750	1.6
178.02649	7.1
178.08147	7.7
193.04939	36.4
193.06863	1.1
193.08601	17.8
193.10512	15.9
193.12224	6.6
193.15871	81.2
194.05315	1.3
194.08119	10.3
194.11784	2.0
194.15356	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	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01865	4.0
56.96575	1.4
58.19477	1.1
65.03942	1.0
67.05499	2.9
68.45177	1.0
69.07058	2.2
69.66142	1.0
71.63264	2.0
71.63650	1.3
75.31384	1.2
79.05484	9.9
81.07032	5.5
91.05477	6.7
93.07040	4.0
95.04942	5.5
95.08603	4.4
103.05453	13.8
105.07025	82.8
106.07372	2.0
107.04966	1.2
107.08582	2.9
109.06497	1.7
109.10165	3.1
115.05454	17.6
118.04165	8.0
119.08589	5.1
121.10141	2.3
123.08094	2.6
123.11707	1.9
131.04924	1.7
131.35344	1.1
133.02879	5.7
133.06477	80.3
133.10109	6.2
134.06793	2.2
135.11688	4.3
137.05934	3.1
137.09628	1.5
143.04979	1.4
143.06026	3.9
147.04532	1.1
147.11635	2.1
149.02361	1.3
149.05960	1.4
151.07547	4.2
161.05974	100.0
162.06345	1.7
165.05492	1.2
175.14809	4.7
178.02614	4.9
178.08171	4.4
182.74716	1.1
193.04953	22.5
193.06789	2.7
193.08614	17.8
193.10518	12.0
193.12277	5.8
193.15834	5.4
194.08171	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03935	0.8
53.38347	0.4
55.01874	2.9
60.75722	0.4
60.76046	0.4
69.74931	3.3
77.03882	0.6
79.05486	9.9
90.04671	0.7
91.05478	4.5
95.04965	2.2
103.05460	14.9
105.07023	86.1
106.07349	1.4
107.04919	0.5
115.05446	18.0
117.57611	0.5
118.04144	10.2
131.04918	4.1
132.05696	1.3
133.06482	83.7
134.05963	0.4
134.06862	1.7
143.04909	1.3
143.06035	5.9
149.06027	0.6
161.05968	100.0
162.06348	1.9
163.50813	0.5
165.07428	0.8
193.05112	0.9
193.06894	2.4
193.08598	13.4
199.56705	0.4
211.48679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01867	4.1
55.05491	0.8
67.05511	1.4
67.31198	0.7
69.07047	1.5
69.35875	4.1
69.36312	3.6
79.05479	9.9
81.07044	2.1
91.05465	5.0
93.07044	1.6
95.04960	2.5
95.08596	3.8
102.04720	0.6
103.05455	13.3
104.06248	3.6
105.07021	100.0
106.07358	1.6
107.08588	1.9
109.10146	4.1
115.04673	1.2
115.05451	19.8
118.04147	9.7
119.08575	7.6
121.10117	0.8
131.04919	4.6
132.05685	3.0
133.06480	87.7
133.10120	8.8
134.06874	1.3
135.11696	3.0
137.09631	1.6
143.06013	6.9
147.11671	2.7
149.05931	0.9
149.13225	1.3
160.05127	1.3
161.05966	98.2
162.06308	2.1
175.14799	15.5
175.16252	1.1
178.06230	2.2
193.08588	74.4
193.15874	4.6
194.08975	1.6
206.95988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1016
Annotation	5-Methoxytryptophol
Peak:m/z	Relative Intensity
52.20119	0.5
55.55562	0.6
56.05008	0.7
68.04999	1.7
70.81385	1.4
70.81762	1.1
81.04518	0.8
83.06077	1.9
95.06075	0.7
96.85906	0.6
109.07637	1.2
110.07159	3.8
111.07908	1.9
112.08726	1.6
115.42938	0.7
122.07150	1.5
123.09106	0.7
125.08224	1.1
133.07591	0.8
134.07156	1.3
137.08238	1.1
149.08266	2.7
150.10214	1.7
151.09769	1.9
165.11401	1.0
175.09773	1.0
177.07828	11.3
192.06483	2.4
192.10179	100.0
192.12277	3.9
193.10625	2.4
206.56004	0.7
211.78648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03959	0.6
54.03470	1.0
56.05028	5.1
57.04542	1.0
58.06591	1.2
59.05853	0.9
59.06121	10.5
60.05639	7.3
67.02979	3.0
67.05516	0.8
68.05022	10.8
69.04530	2.7
69.99329	0.7
70.06576	2.2
71.06114	1.8
71.29783	1.3
72.08127	0.7
80.05013	1.6
81.04531	6.8
82.06568	2.6
83.05696	0.7
83.06099	9.0
84.05602	3.2
84.08108	1.2
85.07649	3.2
92.04974	1.0
93.04494	0.9
94.06577	1.1
95.06083	4.5
96.05596	1.5
97.07635	4.5
98.07168	5.0
106.04045	0.6
107.06060	4.2
108.05605	7.0
108.08133	1.2
109.06455	1.0
109.07628	14.0
110.07162	31.6
110.08395	2.0
111.05515	0.8
111.06691	0.8
111.07948	12.2
111.09143	3.9
112.08726	17.5
119.04829	0.7
122.07155	5.6
123.06695	1.2
123.09173	3.4
124.08701	8.7
125.07287	1.3
125.08220	14.2
125.09143	1.1
125.09525	0.9
126.06628	9.8
126.10238	1.4
133.07596	10.4
134.07117	11.6
134.08000	0.5
135.06693	1.3
135.07895	1.8
135.09189	0.8
136.05026	1.0
136.07704	0.6
136.08655	3.7
137.08226	3.4
138.09242	0.8
138.10242	4.1
147.06577	0.8
148.07532	4.5
148.08684	4.2
149.08250	39.1
150.06657	1.3
150.07753	2.1
150.08983	2.6
150.10225	17.2
151.06172	1.0
151.07411	0.8
151.08557	1.5
151.09767	25.8
152.10535	7.1
160.07536	0.8
161.08176	1.1
163.09775	1.5
163.35789	0.8
164.06956	0.7
164.09378	1.0
165.11333	9.6
175.09761	13.3
176.07083	2.0
177.07835	100.0
178.08180	1.3
192.06647	4.8
192.10176	95.6
192.12410	64.8
192.17398	2.7
193.04893	1.3
193.10713	3.3
193.12755	0.7
193.14522	1.5
208.09122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1017
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
54.03454	2.4
55.05504	1.2
56.05034	6.8
57.04539	1.8
58.06574	1.9
59.06123	10.2
60.05638	2.8
61.86996	1.0
62.89540	1.0
67.02998	4.8
67.62737	0.9
68.05032	11.5
69.04545	3.7
69.11298	1.0
69.69613	7.0
69.99295	1.7
70.06591	5.8
71.06091	1.9
80.05021	2.6
81.04536	7.3
82.04079	1.3
82.05303	1.1
82.06578	5.3
83.06090	11.1
84.05618	3.4
85.07667	1.9
93.04524	1.9
94.06581	1.3
95.06074	8.7
96.05593	2.3
96.06876	1.7
97.07656	6.0
98.07169	5.9
107.06085	5.7
108.05595	5.5
108.06801	1.4
109.07634	16.7
110.07169	34.7
110.08338	4.8
111.07946	13.8
111.09166	5.2
112.08731	19.1
117.41248	1.0
119.04893	1.0
119.06035	1.1
120.05578	2.1
121.07670	1.5
122.07158	6.9
123.09172	2.3
124.08724	9.2
125.08224	2.9
126.06607	2.2
126.10251	1.6
128.17715	1.0
133.07613	6.8
134.07140	12.0
135.06702	1.7
135.07884	3.2
136.08685	4.7
136.87187	1.0
137.08218	5.5
138.10246	2.8
148.07539	2.6
148.08685	4.6
149.08269	19.4
150.06641	1.8
150.07773	2.4
150.08980	2.7
150.10246	13.4
151.06158	1.4
151.09760	21.9
151.10918	1.5
152.10564	6.6
163.09856	2.0
165.11348	4.7
175.09755	11.6
176.07097	1.6
177.04300	2.1
177.07838	64.3
178.08215	1.7
192.06593	5.7
192.10181	100.0
192.12416	56.8
192.17334	2.1
193.04903	1.8
193.10611	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	192.1016
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
50.80223	2.1
54.90790	1.9
56.05031	2.2
59.06121	2.5
64.69722	2.0
67.89708	2.2
68.05028	3.0
70.05186	11.5
81.04546	2.6
83.06113	4.1
87.04408	2.0
87.89471	1.9
95.06092	3.0
109.07623	7.9
110.07182	16.5
111.07925	7.0
111.51308	1.8
112.08708	9.7
123.09208	2.0
124.08683	5.8
132.23468	2.1
133.07587	2.1
134.07129	4.7
136.08720	2.4
149.08237	8.9
150.09058	2.3
150.10289	4.0
151.09741	9.1
152.10583	3.1
165.11415	2.9
174.32367	2.1
175.09756	7.8
177.06311	3.1
177.07832	45.7
189.01414	2.0
192.06511	3.7
192.10179	100.0
192.12419	31.4
192.13945	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	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.73093	0.6
52.73888	0.6
53.03933	1.1
55.05301	0.6
55.05503	6.8
57.07058	1.5
67.05500	5.5
69.07061	23.4
69.39406	3.5
69.39832	2.9
71.12813	0.5
76.67974	0.6
79.05481	6.3
81.07046	9.7
83.08607	8.7
83.94227	0.6
85.10169	0.8
91.05455	2.7
93.07036	26.8
95.08598	48.1
96.08914	0.9
97.10158	6.4
105.07023	2.8
107.08588	34.6
109.06470	0.9
109.10148	21.7
111.11712	1.1
113.44853	0.6
119.08578	1.2
121.10136	45.4
122.10429	1.2
123.11701	4.5
123.80492	0.7
133.10126	1.0
135.11682	36.2
136.12045	0.8
144.70779	0.7
147.11659	0.7
149.09648	0.8
149.13251	8.5
163.14836	1.0
173.13138	0.7
177.07799	4.6
191.08995	1.3
191.14258	2.0
191.17932	100.0
192.10144	9.9
192.18300	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	191.1793
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.08004	0.5
50.81184	0.5
52.93413	0.4
54.27387	0.6
55.05259	0.8
55.05508	11.5
57.07084	2.8
65.03953	0.7
67.05169	0.8
67.05499	8.7
67.80280	0.5
67.97673	0.5
69.03422	1.1
69.07064	29.2
69.74820	3.6
76.91823	0.6
79.05485	8.7
81.07057	12.6
83.08608	9.7
87.52901	0.5
91.05482	5.7
93.07037	32.5
95.04961	1.7
95.08601	55.5
96.08921	1.1
97.06547	1.0
97.10170	6.6
98.20790	1.0
103.05413	0.8
105.07025	5.0
107.04963	0.8
107.08592	38.6
108.08917	0.7
109.06487	1.4
109.10150	26.3
111.11709	1.6
117.07015	0.9
118.04142	0.7
119.08561	2.7
121.10136	58.3
122.10468	1.1
123.08062	1.2
123.11694	5.0
124.61233	0.5
131.08562	2.6
133.10136	6.0
135.08023	1.8
135.11681	42.2
136.12099	0.7
145.10062	2.8
147.08083	0.7
147.11699	3.0
149.08331	1.5
149.09618	0.6
149.13249	10.1
158.10930	1.1
163.11145	0.7
163.14786	1.5
173.09651	0.6
173.13278	3.9
177.07825	10.3
191.07007	1.6
191.08940	2.7
191.10666	1.9
191.14328	7.7
191.17935	100.0
192.06522	1.6
192.10179	18.5
192.18292	2.8
196.39938	0.5
214.65239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03462	3.2
55.05524	1.9
55.79658	1.3
56.05031	7.9
57.04558	1.7
58.06590	2.9
59.06123	13.5
60.05647	2.2
67.02978	3.6
67.04225	1.2
68.04700	1.8
68.05023	13.6
69.04544	4.7
69.99305	1.3
70.06586	5.9
71.06106	2.7
71.15536	3.4
72.08148	2.0
74.72923	1.2
80.05012	2.0
81.04536	11.1
82.05331	2.6
82.06559	5.5
83.06089	13.0
83.06891	1.2
84.05621	5.5
84.08144	1.6
85.07672	5.6
93.04518	4.6
95.06082	11.6
96.05640	2.6
96.08167	1.3
97.07632	7.4
98.07172	7.3
107.06070	8.3
108.05601	7.2
109.06469	2.1
109.07632	24.5
110.07166	39.0
110.08419	5.3
111.05565	1.4
111.07960	18.2
111.09151	6.4
112.08720	23.4
120.05582	2.1
121.07620	1.7
122.07182	7.5
123.06701	2.5
123.07902	1.7
123.09206	4.4
124.08725	12.7
125.08210	4.3
125.09499	1.2
126.06688	1.9
126.10243	1.5
127.08744	1.0
133.06519	2.1
133.07608	7.5
134.06116	2.2
134.07114	18.2
135.06674	1.4
135.07903	4.6
136.07690	1.1
136.08682	6.2
137.08228	4.3
138.10275	4.4
141.22975	1.2
146.05952	1.6
148.07587	2.9
148.08690	7.0
149.08244	21.8
150.06599	3.0
150.07787	2.3
150.08997	5.2
150.10252	21.6
151.08559	1.9
151.09770	35.1
151.10931	2.2
151.34210	1.2
152.10548	10.4
160.07487	1.2
161.08238	1.2
163.09752	2.5
165.11368	9.6
175.09807	16.4
177.04268	2.0
177.07837	52.4
178.02521	1.2
178.08257	1.2
192.06612	9.3
192.08734	4.2
192.10208	100.0
192.12440	85.4
192.17352	6.2
193.04965	2.4
193.10611	5.5
193.12254	1.3
193.14453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03941	1.0
55.05257	1.2
55.05503	13.3
55.46455	0.9
57.07058	3.8
61.61835	0.9
65.03948	1.6
67.05497	11.1
68.99756	1.2
69.03429	1.8
69.07063	28.9
71.01324	1.3
71.01653	1.7
71.04975	0.9
79.05478	11.9
81.07050	18.7
81.13455	1.0
83.04974	1.6
83.08613	14.6
91.05463	7.1
93.07036	34.1
95.04967	3.7
95.08598	60.3
96.08938	1.1
97.10174	8.1
101.53319	1.0
105.07014	10.8
107.04944	2.5
107.08582	49.2
109.06518	2.8
109.10146	35.5
109.10902	1.0
111.11703	2.4
117.07002	2.2
118.04248	1.2
119.08556	5.7
121.02916	1.3
121.06490	1.7
121.10131	69.1
123.08054	3.4
123.11707	8.2
130.07637	1.1
131.08542	5.6
133.10121	12.9
135.08051	5.1
135.11679	58.1
137.55438	1.0
145.10126	4.6
147.11665	4.2
149.05927	2.4
149.09570	2.6
149.13257	15.2
158.10890	1.9
163.07411	1.0
163.11163	1.3
163.14793	2.9
165.68011	1.0
173.09575	2.4
173.13216	8.0
176.04623	1.3
177.07835	3.0
191.07007	3.5
191.08998	1.0
191.10651	12.5
191.14314	15.9
191.17937	100.0
192.06541	2.2
192.10117	7.4
192.18185	2.9
200.75046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.90241	0.9
53.03926	1.9
55.05254	1.6
55.05504	20.3
57.07074	5.4
61.37455	1.1
61.38540	0.9
65.03921	1.4
67.05167	1.6
67.05498	19.8
69.03418	3.9
69.07061	39.9
70.06036	3.9
70.06448	2.1
71.04969	4.6
71.08648	0.9
73.05672	1.0
79.05051	1.5
79.05480	20.2
81.07050	26.3
81.28065	1.0
83.04971	2.4
83.08615	17.0
85.06538	2.0
91.05466	19.9
93.07036	53.2
94.07320	1.3
95.01337	1.0
95.04957	6.4
95.08597	79.5
96.08940	1.5
97.06508	3.4
97.10165	10.2
102.04705	1.2
103.05463	7.0
105.07024	38.3
106.37343	1.0
107.04922	2.7
107.08582	78.1
109.06511	8.0
109.10146	44.4
111.11698	2.0
115.05427	3.0
117.06999	5.6
118.04131	2.2
119.08565	20.9
121.06491	3.9
121.10131	77.8
122.07200	1.1
122.10487	2.0
123.08072	6.5
123.11716	9.2
129.07005	2.9
130.07727	2.1
131.04903	4.1
131.08553	24.4
132.69377	1.0
133.02818	1.4
133.06522	1.5
133.10112	50.3
135.04361	1.1
135.08043	18.3
135.11679	54.2
143.08517	5.5
143.70752	1.0
144.09305	2.2
145.10117	14.8
147.04388	1.2
147.11685	21.2
148.05154	2.4
148.08739	1.1
149.09561	5.6
149.13242	25.3
157.09999	1.0
158.10928	6.3
161.05902	1.4
161.09608	1.3
162.14180	1.4
163.07526	4.9
163.11157	4.7
163.14807	9.7
173.09630	2.9
173.13252	34.7
174.13638	1.5
176.04674	2.7
176.08336	3.2
177.07854	5.3
191.03403	1.6
191.06984	8.2
191.08829	2.0
191.10640	24.0
191.14294	49.8
191.17926	100.0
192.06485	3.8
192.10114	12.7
192.14572	1.3
192.18237	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	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.67199	1.1
53.03927	2.6
55.01855	2.5
55.05252	1.5
55.05504	15.9
55.51596	0.9
57.03410	0.9
57.07080	6.0
65.03936	1.1
66.26244	0.9
67.05502	13.8
68.99782	1.8
69.03420	4.1
69.07062	34.6
71.04972	2.1
71.64061	1.2
79.05487	14.8
81.07051	23.2
83.04967	2.9
83.08611	15.7
83.40963	0.8
90.59325	1.1
91.05471	14.1
93.07038	52.5
95.04983	5.1
95.08599	65.2
97.06548	2.3
97.10158	12.2
103.05437	3.1
105.07024	19.2
107.04926	3.8
107.08588	64.9
109.06521	6.1
109.10146	40.7
111.11730	1.2
115.05431	1.6
117.06995	4.4
118.04145	2.2
119.08572	10.0
121.06493	3.6
121.10135	81.9
122.10451	1.2
123.08070	5.4
123.11703	10.2
129.07001	2.4
130.04109	1.2
130.07748	1.9
131.04918	2.6
131.08549	12.8
133.06543	1.2
133.10121	26.2
134.10556	1.0
135.04416	2.8
135.08044	8.9
135.11678	65.0
136.12019	1.3
137.09625	1.3
143.08545	3.2
144.09294	1.4
145.06453	1.8
145.10110	10.8
146.05984	2.7
147.11659	10.2
148.05165	1.5
148.12396	1.2
149.06012	4.9
149.09610	5.1
149.12163	1.7
149.13254	19.2
158.10907	3.5
163.07526	2.1
163.11195	2.9
163.14801	3.5
173.06003	1.3
173.09604	3.2
173.13261	18.8
175.07480	1.4
176.04662	2.3
176.08214	1.7
177.07817	6.6
191.03366	2.6
191.05273	2.2
191.06969	8.7
191.08931	1.5
191.10651	31.5
191.14296	32.8
191.17935	100.0
192.06519	4.2
192.10133	14.2
192.18315	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
55.01869	1.3
55.05499	6.4
57.03416	2.2
57.07053	3.2
59.04978	1.3
59.42380	1.0
67.05497	7.0
69.03419	13.2
69.07068	11.1
70.16840	3.8
70.17251	1.8
71.04967	4.0
75.67995	1.0
78.84017	0.9
79.05126	1.0
79.05486	12.1
81.07048	9.9
83.04961	6.2
83.08578	3.1
85.06528	4.2
91.04890	1.1
91.05466	21.9
93.07028	16.3
95.04943	4.5
95.08582	11.0
97.06511	6.3
103.05441	4.6
105.07018	33.8
107.04929	3.3
107.08586	31.1
109.06496	13.4
109.10145	9.0
111.08054	2.6
115.05419	2.4
116.06172	1.5
117.06985	11.8
119.08569	26.1
121.06473	5.8
121.10132	23.0
123.08039	8.3
123.11638	1.4
128.06204	1.2
129.06978	7.4
130.04124	1.1
130.07751	3.2
131.04875	3.1
131.08551	45.3
133.02927	1.5
133.10117	69.2
134.10469	1.4
135.08037	22.6
135.11679	7.0
137.09656	1.3
143.08546	13.7
144.09293	4.7
145.06485	1.2
145.10104	22.8
147.07956	1.2
147.11674	22.0
149.09598	12.4
149.13235	16.3
150.10365	2.2
150.96901	1.2
158.10910	17.0
161.09637	2.1
161.13251	1.8
163.07527	2.8
163.11124	3.6
163.14793	5.1
173.13255	58.7
176.11948	1.9
177.07799	2.5
181.56854	1.2
191.03314	1.9
191.06979	5.0
191.10748	5.1
191.14259	100.0
192.06540	3.0
192.10130	4.4
192.14655	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01856	1.0
55.05495	3.8
57.03418	2.7
57.07067	1.5
59.48420	1.0
67.05502	5.9
69.03415	5.7
69.07063	10.4
70.88217	1.5
70.88552	1.9
71.04973	3.7
79.05487	6.9
81.07058	9.2
83.04978	4.7
83.08601	3.7
85.06525	2.7
87.37714	0.9
91.05464	13.1
93.07031	11.6
95.04956	5.5
95.08593	7.3
97.06520	8.6
103.05437	5.1
105.07022	35.9
107.04882	1.0
107.08592	26.9
109.06515	9.1
109.10151	9.4
111.08041	1.3
115.05419	1.3
117.07010	4.7
118.04112	1.6
119.08569	15.0
121.06449	5.2
121.10138	16.3
123.08065	5.9
123.11701	4.1
129.06963	2.6
130.04158	1.0
131.04871	1.7
131.08562	31.1
133.10120	100.0
134.10382	1.4
135.08047	16.5
135.11673	3.9
137.09601	1.7
143.08540	6.2
145.10118	14.6
147.11676	22.1
148.05200	1.9
148.08783	1.5
149.09633	6.8
149.13246	11.3
150.10330	2.3
158.10910	9.9
161.09607	2.6
163.07530	2.2
163.11093	1.0
163.14836	2.7
173.13257	42.0
191.07048	5.6
191.14293	93.9
192.14612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00317	1.3
53.03930	1.7
55.05488	6.2
55.05725	1.5
57.03403	1.9
57.07068	2.8
67.05507	13.8
69.03428	8.5
69.07063	9.5
69.79246	8.0
71.04983	18.2
76.72502	1.4
79.05491	12.6
81.07051	11.7
83.04958	2.9
83.08603	3.9
85.06517	6.6
91.04967	1.5
91.05482	16.7
93.07034	16.7
95.04943	11.4
95.08606	13.9
97.06536	8.7
98.21562	2.5
99.08131	1.4
103.05431	5.5
105.07026	37.0
107.04921	2.4
107.08586	43.5
109.06509	38.4
109.10143	44.9
111.08073	2.6
115.05458	1.9
117.07021	9.5
119.08562	19.1
121.06498	6.6
121.09303	2.6
121.10133	39.9
122.07281	2.6
123.08044	17.9
123.11665	4.2
129.07025	2.8
130.07727	1.9
131.04918	4.2
131.08551	39.5
133.10121	98.1
135.08047	48.5
135.08904	1.1
135.09081	1.8
135.11673	4.0
137.09581	10.8
143.08543	5.6
144.09346	2.9
145.10110	16.8
147.08099	1.5
147.11688	18.5
148.05165	2.4
148.08774	2.0
149.09592	10.9
149.13255	18.5
150.10480	1.7
158.10889	11.3
163.07530	3.4
163.11134	2.8
163.14783	2.8
171.11656	1.7
173.13252	50.9
190.79564	1.4
191.03439	1.9
191.06926	7.5
191.10625	3.2
191.14293	100.0
192.10159	1.7
192.14661	2.3
201.66742	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	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.05499	3.5
57.03429	1.4
58.99054	0.6
59.04979	2.3
61.44327	0.7
63.40074	0.6
66.21793	0.7
67.05492	4.4
69.03424	2.9
69.07066	6.0
69.68446	3.2
69.68857	1.5
71.04987	4.2
79.05492	5.1
81.07056	7.2
83.04974	2.4
83.08616	3.2
85.06549	3.4
89.51695	0.6
91.05479	13.9
93.07035	10.3
95.04969	4.0
95.08594	8.1
97.06523	8.1
98.20743	1.3
103.05442	5.8
105.07024	33.1
107.08588	17.4
109.06503	7.9
109.10151	9.1
111.08109	1.6
115.05441	2.5
116.06248	0.8
117.07027	5.6
118.04147	2.6
119.04989	0.8
119.08565	12.3
119.48912	0.7
121.06493	4.0
121.10130	10.3
123.08067	5.4
123.11676	1.8
129.07005	3.7
130.04137	0.7
130.07753	1.2
131.04927	5.7
131.08553	32.9
133.02831	1.0
133.10118	100.0
134.10469	1.7
135.07080	1.3
135.08038	14.2
135.11662	1.3
143.08527	5.4
144.09357	1.3
145.10120	13.6
147.04376	0.9
147.08096	0.8
147.11679	10.7
148.05171	4.1
148.08749	1.0
149.09615	6.4
149.13228	9.9
158.10905	9.5
159.08078	0.8
163.07515	6.2
163.11153	1.2
163.14824	3.1
173.13260	46.1
174.13602	1.3
176.04686	0.9
176.11861	0.7
176.56586	1.7
191.06981	6.3
191.10612	3.9
191.14288	48.8
192.10223	1.2
192.14590	1.2
204.04118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	1.4
55.01870	0.9
55.05495	4.0
57.03409	1.2
57.07060	3.1
58.50273	0.9
59.04982	2.2
59.13742	0.8
59.33910	0.9
60.17456	0.8
65.03928	1.9
67.05496	10.0
69.03410	3.8
69.07054	6.9
71.04996	7.6
71.07417	1.2
71.07762	1.8
79.05489	8.2
81.07045	9.2
83.04971	2.0
83.08605	3.8
85.06531	3.6
88.53337	0.9
89.63584	0.9
91.05472	15.6
93.07035	14.8
95.04953	13.9
95.08598	12.1
97.06513	9.0
100.34876	1.0
103.05458	1.7
105.07021	39.0
107.04947	1.1
107.08587	25.6
109.05782	2.0
109.06512	33.3
109.10146	32.3
115.05444	2.9
116.00533	0.9
116.06216	1.2
117.06989	6.2
119.08577	18.2
121.06493	3.9
121.10136	17.4
123.08054	8.8
123.11694	3.4
129.06998	4.8
130.07735	1.8
131.08557	42.6
132.22510	1.1
133.10118	100.0
134.10471	1.1
135.08044	37.1
135.11652	2.7
143.08542	7.2
144.09297	2.1
145.10115	18.3
147.11670	12.7
148.12334	1.0
149.09618	8.3
149.13246	19.0
150.10405	1.9
158.10912	11.6
161.09570	1.1
163.11086	1.7
163.14824	3.5
171.11681	1.3
173.13249	58.7
189.12492	0.9
191.14288	63.7
192.14626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01878	1.5
55.05495	4.8
56.96569	1.9
57.03412	2.6
57.07067	2.3
59.04989	1.6
67.05490	6.3
69.03410	5.0
69.07065	7.1
70.77657	2.3
70.78027	2.1
71.04977	4.1
75.14257	1.0
79.05473	7.0
81.07059	7.5
83.04974	2.4
83.08626	3.2
85.02890	1.8
85.06537	2.7
91.05474	16.6
93.07044	13.2
95.04948	4.7
95.08607	8.9
97.02902	2.4
97.06531	6.3
98.97602	1.8
103.05431	1.6
105.07023	40.4
107.04934	2.4
107.08588	29.5
109.06509	15.5
109.10148	14.3
115.05498	1.4
117.07001	4.8
119.08570	23.2
121.02857	3.5
121.06450	3.7
121.10133	20.2
123.08043	6.7
123.11649	2.5
129.06958	2.3
130.07787	1.9
131.08563	33.8
133.10118	100.0
134.10428	1.7
135.08032	17.4
135.11647	3.1
143.08537	8.4
144.09344	3.6
145.10117	21.7
145.11139	1.9
147.11681	11.4
148.12277	1.1
149.09602	4.1
149.13257	27.2
150.96854	1.2
158.10909	15.0
163.07408	1.3
163.11133	3.4
163.14809	4.7
173.13249	57.5
177.07870	1.5
191.10562	1.3
191.14291	44.3
192.10167	1.5
213.00676	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.05498	5.5
57.07063	1.8
65.03924	1.2
67.05489	4.9
69.03077	1.1
69.03419	13.9
69.07064	6.8
69.37858	8.2
71.04974	1.1
72.09975	0.9
79.05058	1.6
79.05483	22.4
81.06576	1.1
81.07045	19.6
83.04986	4.6
83.08604	2.1
85.06503	2.0
91.05471	11.9
93.07033	10.8
95.04939	5.8
95.08603	6.2
97.06495	2.4
103.05455	2.0
105.07022	20.9
107.04946	11.7
107.08578	40.0
109.06509	4.6
109.10165	8.6
111.08064	1.3
115.05421	1.2
115.40682	0.8
117.06995	3.1
119.04980	0.9
119.05946	1.0
119.08567	8.3
121.06465	5.5
121.10122	18.1
122.07246	1.9
123.08012	4.4
123.11712	1.3
129.06935	1.3
130.07733	1.3
131.04918	1.9
131.08545	15.0
133.10110	100.0
134.10426	1.0
135.08029	10.0
135.11710	4.0
136.08789	1.0
137.09599	17.6
143.08517	2.9
144.09293	1.0
144.89456	0.9
145.10091	7.2
146.58153	0.9
147.08028	0.9
147.11649	8.4
148.05170	0.9
149.09567	4.3
149.13239	14.6
158.10883	5.5
161.09622	1.2
163.03870	0.8
163.07478	1.1
163.11217	1.0
163.14853	2.5
173.13246	19.6
191.07021	3.0
191.10651	2.5
191.14279	47.8
191.17931	1.5
192.10110	1.6
192.14691	1.1
204.00838	0.9
213.49075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03935	0.6
55.05506	3.2
57.03437	1.0
57.07063	0.7
65.03933	0.9
67.05498	3.7
69.03419	8.1
69.07059	4.4
69.99165	0.5
70.27352	1.9
70.27769	0.9
71.04981	1.6
72.70631	0.4
79.05481	5.0
81.07047	5.3
83.04967	1.8
83.08612	0.9
85.06539	0.7
91.05473	7.8
93.07032	6.4
95.04961	3.5
95.08631	3.2
97.06510	1.5
103.05441	1.8
105.07017	14.9
107.04936	2.3
107.08591	18.8
109.06499	2.5
109.10141	6.4
115.05435	1.1
116.06234	0.6
117.07001	1.8
119.08572	6.0
120.37442	0.6
121.06505	1.5
121.10139	10.9
122.07298	1.8
123.08078	3.1
123.11727	0.7
129.06998	1.2
131.04903	1.4
131.08545	9.5
133.10120	100.0
134.10443	1.2
135.08038	5.9
135.11681	2.1
137.09605	14.4
143.08551	2.3
144.09288	0.8
145.10088	5.3
147.11659	5.1
149.09607	2.0
149.13243	11.8
158.10858	4.4
163.03795	0.8
163.07515	1.1
163.14857	2.7
173.13249	15.0
176.19672	0.6
191.03349	1.6
191.06982	2.1
191.10742	0.9
191.14291	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	1.6
55.01858	1.7
55.05499	5.3
57.07061	2.3
59.04993	1.4
65.03917	1.9
67.05501	18.3
69.03425	6.1
69.07068	11.7
69.35187	12.8
71.04989	20.4
73.36742	1.2
79.05495	11.3
81.07058	14.5
82.30605	1.2
83.04970	3.0
83.08612	3.5
85.06528	8.4
91.05470	20.8
93.07031	18.3
95.04960	10.0
95.08147	1.4
95.08614	17.1
97.06525	7.1
103.05452	5.9
105.07026	36.7
107.04933	4.4
107.08586	42.1
109.06506	55.1
109.10147	68.6
111.08073	2.7
115.05439	1.7
117.07033	6.3
118.04157	2.2
119.08588	14.3
121.06518	5.9
121.10137	41.1
123.08051	19.6
123.11715	1.7
129.06985	2.8
130.07759	1.3
131.04927	2.4
131.08562	41.0
133.06470	2.1
133.10123	56.6
134.10426	1.5
135.08041	62.5
135.11656	7.9
137.09581	4.0
141.49728	1.2
143.08516	7.8
144.09290	1.9
145.10107	15.1
147.11678	15.8
148.05211	2.4
148.08844	1.8
149.09615	12.8
149.13254	15.0
150.10310	2.5
154.38683	1.3
158.10909	11.9
159.82755	1.3
161.09610	1.3
163.07509	3.7
163.11111	2.7
163.14822	2.5
173.13255	53.5
174.13644	1.1
176.11987	2.1
177.99446	1.3
191.06929	6.1
191.10698	8.1
191.14290	100.0
191.17909	8.7
192.14680	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	191.1064
Annotation	Precocene I
Peak:m/z	Relative Intensity
53.03931	0.4
55.01865	0.4
55.05498	1.0
56.96548	0.4
57.03431	0.6
57.07056	0.4
65.03909	0.4
67.05498	3.3
68.99781	13.1
69.03424	1.5
69.07069	1.9
71.04974	0.9
71.62879	0.3
78.15622	0.2
79.05485	5.7
81.07048	5.9
83.04973	0.8
83.08612	0.8
85.06550	0.3
88.69595	0.3
91.05466	3.9
93.07034	5.5
93.25900	0.2
95.04972	2.9
95.08588	3.1
97.06517	0.6
97.10136	0.4
102.04621	0.3
103.05470	1.5
105.07023	5.8
107.04945	7.9
107.08582	5.1
109.06510	1.7
109.10150	2.3
111.04425	0.9
115.05470	0.4
117.07014	2.1
118.03063	0.2
118.04126	0.6
119.08575	2.7
121.06506	2.5
121.10136	3.6
123.04394	0.5
123.08060	1.0
123.11694	1.1
129.06981	0.5
130.04152	0.5
130.07796	0.9
131.04887	0.8
131.08559	3.7
133.06505	1.7
133.10120	4.9
135.04402	14.2
135.08052	3.5
135.11673	2.3
136.05173	0.3
137.05942	2.5
137.09587	0.4
143.08553	0.8
145.06453	0.6
145.10104	6.3
146.05966	0.3
147.04378	0.5
147.08011	0.4
147.11639	1.7
148.05162	0.4
149.05971	25.5
149.09554	2.0
149.13254	1.7
150.06311	0.4
153.05452	1.1
155.08517	0.4
158.07234	0.7
158.10870	0.8
161.06000	0.6
162.06761	0.5
163.07526	1.0
163.11183	2.0
163.14749	0.5
167.07016	0.2
169.03476	0.4
169.24471	0.3
173.05894	0.3
173.09616	9.9
173.11923	0.4
173.13246	4.4
174.05385	0.3
174.09982	0.4
176.04681	0.5
176.08366	1.4
177.07808	1.9
191.07133	2.7
191.10651	100.0
191.14246	10.3
191.17879	2.8
192.06509	1.0
192.09955	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20300	0.8
53.03920	1.2
55.01862	1.1
55.05497	3.6
56.96552	1.3
57.07075	1.4
65.03911	1.3
67.05219	0.8
67.05499	7.7
69.03423	8.9
69.07074	10.1
70.18163	4.4
70.80733	0.9
71.04977	4.2
73.53995	0.7
73.54532	0.8
77.86554	0.9
79.05489	8.8
81.07058	8.4
83.04962	2.5
83.08618	1.7
85.06541	2.4
91.05486	10.1
93.07036	10.5
95.04955	12.1
95.08614	5.8
97.06528	2.1
103.05453	2.9
105.07018	21.1
107.04935	2.5
107.08582	28.6
109.06525	7.9
109.10141	11.9
115.05393	1.2
116.06223	1.0
117.06983	3.6
118.04104	1.0
119.08579	13.8
121.06493	4.0
121.10137	18.8
122.07261	2.9
123.08056	6.0
123.11684	2.8
129.06990	2.8
130.07773	1.1
131.04955	2.6
131.08553	17.7
133.10120	100.0
134.10460	2.0
135.08044	12.1
135.11673	3.6
137.09616	13.0
143.08540	4.0
144.09389	1.6
145.06354	1.4
145.10103	11.1
147.11655	9.2
148.05202	1.1
149.01244	1.0
149.09595	4.9
149.13237	16.3
158.10931	7.1
161.09628	1.3
163.07516	1.0
163.14795	3.3
171.06845	1.0
173.13251	34.1
177.07831	1.4
191.07024	4.0
191.09027	0.9
191.10680	3.3
191.14299	44.5
191.17966	1.8
204.26180	0.9
204.71379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91164	1.1
55.01843	1.4
55.05500	2.5
56.96560	1.4
59.50466	1.2
67.05491	2.5
69.03432	6.2
69.07043	2.1
69.82447	6.7
71.04957	1.3
72.08122	1.3
79.05470	4.0
81.07038	2.5
82.46693	1.1
83.04944	1.8
84.04482	2.5
84.08131	3.0
85.02897	2.3
85.04839	2.8
91.05473	7.4
93.07032	3.4
95.04964	2.5
95.08630	1.7
104.95352	1.3
105.07020	16.2
107.08601	3.2
109.06484	1.4
115.05435	2.5
117.07018	5.3
119.04955	1.4
119.07771	2.3
119.08568	22.8
121.10094	1.6
128.06200	6.5
129.06989	4.7
129.09087	2.0
130.07765	4.2
131.08598	6.9
133.06467	5.3
133.10143	9.0
135.08023	1.5
141.06972	4.6
143.08563	10.2
144.09270	1.6
145.06525	1.4
145.10094	18.7
145.11140	2.0
147.04388	2.2
147.08066	10.8
147.11673	12.2
149.02368	1.9
155.08543	1.8
156.09334	45.5
157.09755	1.5
159.08040	5.4
159.11699	10.5
160.05173	2.1
161.05931	3.7
161.09605	8.7
161.13188	6.4
162.05482	2.5
171.08125	2.3
171.11674	50.5
174.06747	1.8
174.10422	6.4
189.05453	3.7
189.09138	11.3
189.12729	100.0
189.16338	4.3
190.08575	2.5
190.13142	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	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05503	6.7
67.05501	4.8
69.03405	1.1
69.07067	10.0
70.39698	2.6
78.98302	0.7
79.05475	3.6
81.07053	11.3
83.04974	1.7
83.08606	4.8
84.04498	9.2
85.02895	1.0
85.04819	9.0
86.03235	1.5
87.96259	0.8
90.90517	0.9
91.05481	13.4
93.07019	5.8
95.04892	1.0
95.08600	23.5
105.07021	33.7
107.08575	10.6
109.06530	1.0
109.10136	6.0
117.07019	2.7
119.08572	53.9
119.52120	1.0
120.08903	1.4
121.10120	8.0
128.06190	1.4
129.07065	0.9
131.08536	7.5
133.05199	1.3
133.10115	49.8
135.11656	1.5
143.08461	1.9
145.10106	6.0
147.10480	1.9
147.11665	34.0
149.02295	1.8
156.09346	1.3
159.11687	3.3
160.12479	2.1
161.05948	1.2
161.09554	2.8
161.13225	7.4
162.05521	1.1
171.05562	0.9
171.08145	1.4
171.11719	2.5
174.14001	3.1
189.05370	1.5
189.09105	5.2
189.12721	7.2
189.16368	100.0
190.08606	1.7
190.16696	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	189.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46001	0.4
53.03934	0.4
55.01868	2.4
55.05503	2.9
55.80488	0.4
56.05031	0.9
56.96561	10.0
57.00525	0.4
57.03431	3.0
57.07067	0.4
58.06586	1.4
59.04981	0.9
59.06120	0.5
60.04517	1.5
60.08155	0.7
61.02917	1.7
65.03920	0.5
67.05505	1.3
68.05007	0.7
68.99779	1.6
69.03423	6.2
69.07066	2.2
70.06580	2.8
70.14252	0.4
71.01353	1.2
71.04972	1.4
71.06921	0.4
71.60877	0.5
71.95290	0.5
72.04527	0.5
72.08151	8.0
73.02914	2.6
73.06536	0.9
74.06083	0.9
74.97623	0.6
79.05488	1.7
81.03400	1.8
81.07047	1.6
82.03756	0.4
83.01335	0.7
83.04964	1.3
83.06116	0.4
84.04499	3.0
84.08133	5.1
85.02895	6.5
85.04829	1.5
85.06551	0.7
86.06055	1.2
86.09698	100.0
87.04466	2.0
87.10039	0.5
88.03968	0.7
88.07622	0.5
89.14642	0.4
91.05455	2.2
93.07060	0.9
95.04963	1.5
95.08616	0.8
96.01559	0.4
97.02885	4.5
97.06522	0.6
97.08430	0.4
98.01276	0.4
98.06049	0.6
98.09689	1.8
98.97582	3.5
99.02044	0.4
99.04462	1.3
99.05575	0.4
100.07621	0.6
100.99101	0.5
101.02377	3.1
102.97138	0.4
103.05475	0.4
105.02047	0.4
105.07008	3.9
107.04948	1.4
107.08588	0.9
109.02892	1.2
109.06491	1.0
109.07650	0.7
110.06023	0.7
111.00809	1.8
111.04433	1.2
112.07587	0.8
115.03923	2.9
115.05443	1.0
116.98623	3.9
117.07011	1.3
118.08657	2.2
119.01806	2.3
119.04958	0.8
119.08572	2.9
123.04471	0.4
126.09173	0.6
126.12791	1.0
127.03919	1.3
128.02354	2.1
128.06203	1.4
128.07040	0.8
128.98642	0.9
129.01796	2.0
129.05511	0.5
129.06934	0.7
130.05040	0.7
130.07770	0.8
130.08636	1.8
131.00189	0.9
131.08563	1.5
132.04405	0.5
133.06490	1.1
133.07629	0.8
133.10097	1.9
134.06010	1.0
134.99654	5.5
139.00279	2.3
139.53088	0.6
140.00212	0.5
143.08549	2.8
143.11748	0.8
144.04417	0.8
144.10194	3.3
144.13794	2.4
145.01694	2.0
145.06512	0.5
145.10097	2.2
146.06035	0.8
146.99672	1.7
147.03212	1.8
147.04453	1.5
147.08095	2.0
147.11685	1.6
147.96809	0.6
148.08641	0.6
149.01169	1.0
149.09448	0.6
153.00699	1.6
154.03874	5.0
154.04970	0.8
154.54080	0.6
155.04597	0.6
156.09355	1.6
157.01311	1.9
157.04251	0.4
159.08044	0.7
160.07596	0.6
160.74165	0.4
161.01160	0.8
161.05945	1.3
161.07095	1.5
161.09590	3.5
161.13246	1.5
162.05496	3.6
163.02794	5.0
163.04416	6.7
165.04362	0.6
165.54718	1.6
165.63051	0.7
166.00243	1.0
166.04930	0.5
168.03566	0.8
171.02884	1.0
171.05515	1.9
171.08423	1.5
171.11635	2.5
172.06082	0.8
172.09647	0.6
172.10974	0.6
172.13269	0.9
173.01231	0.5
174.10457	0.7
174.55231	0.8
175.02449	0.7
177.00694	0.6
177.04141	4.6
177.54311	1.0
178.04959	1.1
179.02246	0.6
181.03922	0.8
188.54889	1.1
188.63367	0.7
189.03987	0.8
189.06660	8.6
189.08945	3.0
189.12627	8.8
189.16252	1.3
190.04962	2.6
190.08711	1.3
190.14368	0.6
191.02194	0.7
191.05894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.112
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
51.49982	3.9
55.01867	8.5
55.05512	26.6
57.03435	40.5
57.06825	4.0
57.07075	63.1
58.61314	3.5
61.02925	10.9
67.05486	10.9
69.03416	13.0
69.07049	17.1
70.63417	3.7
70.88419	4.1
71.01314	4.5
71.08620	4.0
71.61821	3.6
71.62289	4.8
73.02921	9.6
79.05498	21.6
81.07055	37.8
81.96985	4.5
83.04961	8.1
83.08605	12.6
84.04530	3.7
85.02898	21.9
85.06535	38.3
88.99503	4.0
91.05485	12.0
93.07030	14.7
95.04949	3.8
95.08588	16.4
99.08099	8.1
105.07006	18.9
107.08594	8.1
109.06483	5.0
111.04430	10.3
111.08083	8.8
119.08591	20.2
121.06506	4.4
127.07552	100.0
127.31333	4.0
129.09117	4.8
131.08537	4.2
133.10112	15.9
141.09099	6.7
143.08575	9.0
145.10170	7.2
147.11679	11.5
149.02353	12.3
153.09116	29.2
156.09273	8.5
161.09691	5.2
161.13277	5.4
162.05498	7.2
171.10127	9.3
171.11626	8.9
175.06258	8.5
189.05434	8.0
189.09157	6.9
189.12703	33.5
189.16406	21.8
190.04996	7.7
190.08589	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0916
Annotation	N-(3-(S)-Hydroxybutyryl)homoserine lactone
Peak:m/z	Relative Intensity
53.03944	1.1
55.01868	6.5
55.05512	5.2
56.05029	9.8
56.81102	0.5
56.96559	15.1
57.03435	8.8
57.04564	0.7
57.07051	0.6
58.06597	5.2
59.04993	2.5
59.06121	0.9
60.04521	7.7
60.05637	0.8
60.08175	0.6
61.02925	5.8
65.03937	0.6
66.03468	0.8
67.05497	3.2
68.05026	3.9
68.99786	0.8
69.03426	6.8
69.07059	4.0
70.02942	1.9
70.06589	8.5
71.01347	2.3
71.04989	6.0
71.62527	1.0
72.04520	2.2
72.08147	10.1
73.02921	6.3
74.02432	1.6
74.06060	1.6
75.04478	1.5
79.05482	5.3
81.03410	3.9
81.05780	0.7
81.07043	3.8
82.06570	7.2
83.01334	1.6
83.04987	3.9
83.06091	1.1
84.04498	100.0
84.08138	19.0
84.96015	0.7
85.02899	15.9
85.04833	1.2
85.06533	1.0
85.08467	1.6
86.06058	3.1
86.09699	4.7
86.38454	0.7
87.00832	1.2
87.04464	8.4
88.03989	1.9
91.04566	0.6
91.05482	1.4
93.07046	1.2
94.06564	1.3
95.04945	1.8
95.06023	0.6
96.04504	2.0
96.08127	33.0
97.02887	9.4
97.06522	3.9
97.96842	0.6
97.99166	1.2
98.06059	2.9
98.09678	3.1
98.97575	11.0
99.04446	2.6
99.06744	0.9
99.21102	0.6
100.03961	1.0
100.05112	2.5
100.07622	5.8
101.02380	6.2
101.06007	2.0
101.07127	1.1
102.05549	3.5
103.03941	0.8
105.07022	1.3
106.06553	0.7
107.04945	1.8
107.08564	0.6
109.02864	2.0
109.05184	0.8
110.01282	1.3
110.06046	5.3
110.09660	3.0
110.97575	1.3
111.00813	1.3
111.04427	1.9
111.05583	0.7
112.07603	2.6
112.11226	1.9
112.99131	1.2
113.02380	0.8
113.05978	0.8
114.05521	12.1
114.09147	6.0
115.03921	6.3
115.08765	0.8
115.09525	0.8
116.00229	1.4
116.04970	0.8
116.07075	2.3
116.98614	11.1
117.01916	0.7
118.03578	0.7
118.06514	1.1
119.01872	2.7
121.01651	0.8
122.06057	1.4
123.02032	0.7
124.07580	23.9
124.11227	3.9
125.06010	2.2
126.05515	3.5
126.09158	1.9
127.03941	2.3
128.02330	0.8
128.07059	11.4
128.07947	0.9
128.10699	6.5
128.12686	1.0
128.98592	2.2
129.01857	2.3
129.05420	1.8
129.10283	1.6
130.08641	3.8
130.09465	0.5
130.52574	1.0
131.00163	2.3
131.01921	1.0
131.08527	0.6
132.07994	0.9
133.01593	0.7
133.03458	1.2
134.01294	1.4
134.99640	10.4
137.53435	0.6
137.59917	1.7
138.04390	1.1
138.05424	1.2
139.00328	1.3
139.53101	0.8
140.07095	1.7
141.11053	1.3
142.03296	1.2
142.04987	15.9
142.08621	26.1
142.12260	6.7
143.00186	1.3
143.03188	0.6
143.11774	1.0
146.01212	1.2
146.02281	1.3
146.07114	0.7
146.08105	3.5
146.99623	3.2
147.03157	1.4
147.04286	0.8
149.01224	2.7
149.02802	0.7
150.96826	1.1
152.07031	3.3
152.10707	1.0
153.00713	2.5
157.01299	6.1
158.01253	1.1
158.99658	2.5
159.03062	1.5
159.05003	0.7
160.07568	1.0
160.09688	2.1
161.01199	3.3
161.02914	1.4
163.02713	1.7
164.02289	0.8
164.62404	0.7
165.00732	1.3
165.63075	8.5
167.04651	2.6
168.05449	2.8
170.04553	3.9
170.08110	77.9
170.11748	5.1
170.13715	1.3
171.03059	1.2
171.05040	0.8
171.08429	1.5
171.12225	1.1
171.14935	5.7
174.06071	0.9
175.02428	1.4
175.12001	0.8
176.03471	1.2
176.04994	5.0
177.00732	4.6
177.04222	1.2
177.05942	2.5
179.02257	1.3
179.05977	0.9
179.56229	0.9
185.03903	4.2
185.05563	1.3
187.62563	1.4
187.64317	0.9
188.07260	2.2
188.09164	24.7
188.10658	1.8
188.12791	19.8
188.14610	2.8
188.16307	0.6
188.17604	6.3
188.63321	6.4
189.00688	1.2
189.04173	2.0
189.06479	1.5
189.09097	0.9
189.12633	1.0
191.02275	1.1
206.98241	0.7
207.01663	3.7
207.05396	1.2
207.07185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
52.60359	0.3
54.34545	0.2
55.05507	0.9
56.05024	2.0
57.03421	1.0
58.06606	0.3
59.05001	2.0
60.04523	1.5
61.02924	7.3
63.05137	0.3
65.89021	0.2
67.05502	0.4
68.05018	0.4
68.99787	0.3
69.03417	1.1
70.02948	1.8
70.06590	0.5
71.01339	0.2
71.04980	1.4
71.61521	0.6
72.08136	0.3
75.04476	0.9
81.07050	0.4
82.06580	1.7
83.04980	4.1
84.04498	100.0
85.02898	17.2
85.04849	0.6
86.06067	0.5
87.04463	6.4
88.03986	0.4
91.05473	1.1
93.07040	0.5
96.04456	0.5
96.08113	0.8
98.06058	0.5
100.07595	1.7
102.05521	0.4
105.07006	1.1
110.06034	2.9
111.04421	1.6
115.05420	0.4
117.07019	0.6
118.06557	0.5
118.07356	0.5
118.24010	0.3
119.08566	1.1
120.19157	0.3
124.07614	0.8
126.05517	5.6
128.06210	0.3
128.07065	5.8
129.05460	1.6
131.08546	0.6
132.08875	0.6
133.06441	0.3
133.10086	0.5
142.08623	1.2
143.08537	0.7
145.06308	0.3
145.10129	0.6
146.05980	0.9
146.07117	0.3
146.08087	1.3
146.10445	1.7
146.14430	0.3
147.06522	0.5
147.08113	0.3
147.11676	0.5
152.07092	0.3
156.09351	0.5
160.09688	0.6
160.12013	0.5
161.05956	0.5
161.09665	0.7
166.57086	0.3
170.08139	2.5
171.06616	0.4
171.08031	0.8
171.11708	0.6
174.06763	0.5
184.42947	0.2
188.03511	0.4
188.07268	1.0
188.09186	14.1
188.10596	0.6
188.15170	2.2
188.87668	0.3
189.05359	0.5
189.09116	1.7
189.12743	1.5
189.16373	0.8
209.85213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05509	1.1
56.05029	1.5
57.03426	1.2
59.05001	2.6
60.04509	1.6
61.02920	8.6
67.05488	0.5
69.03423	0.9
69.83975	1.6
69.84387	0.7
70.02951	2.0
71.04979	1.5
75.04459	0.5
82.06564	2.3
83.04973	3.9
84.04497	100.0
85.02898	17.1
85.03426	0.6
85.04826	0.5
86.06060	0.8
87.04459	5.5
96.03082	0.4
96.04509	0.5
100.07621	1.6
105.07036	0.7
109.10167	0.4
110.06061	2.2
111.04452	1.8
112.03929	0.6
119.08589	0.5
120.51375	0.4
126.05508	4.8
128.07050	5.2
129.05486	1.2
142.08707	0.8
146.08170	1.3
152.07024	0.5
170.08081	2.2
188.09184	13.3
189.12781	0.9
209.56543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79526	0.3
55.05502	1.3
56.05022	2.3
56.75251	0.3
57.03428	1.2
57.07065	0.6
58.06622	0.4
59.05006	2.0
60.04525	2.1
61.02634	0.6
61.02924	7.9
67.04259	0.4
67.05510	0.8
68.05018	0.8
69.03425	1.2
70.02944	2.1
71.04987	1.3
71.62135	0.5
71.62563	0.3
75.04483	0.9
79.05518	0.4
82.06587	2.3
83.04979	4.2
84.04499	100.0
85.02898	18.7
85.04841	0.5
86.06053	0.8
87.04461	5.3
91.05468	0.8
93.07041	0.4
95.08587	0.8
95.11291	0.4
96.04466	0.4
96.08145	1.1
98.06070	0.5
99.04427	0.4
100.07626	2.0
101.06068	0.5
101.85651	0.4
105.07036	1.6
107.08561	0.6
110.06037	2.8
111.04446	1.6
112.04000	0.7
116.07095	0.5
117.07028	0.5
119.08588	1.5
124.07574	1.1
126.05515	4.6
128.07076	5.7
129.05449	1.4
131.08589	0.4
133.10147	0.9
135.99513	0.3
142.08646	1.3
145.10150	0.6
146.08128	1.5
146.09201	0.4
146.10443	0.7
146.99408	0.4
147.06544	0.4
147.11688	0.7
160.09680	0.8
170.08128	4.7
171.06509	0.4
188.07430	0.8
188.09184	14.1
188.15160	1.6
189.09306	0.6
189.12787	1.0
189.16368	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	188.0916
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05503	0.7
56.05028	1.8
57.03426	1.2
58.06591	0.3
59.04997	2.1
60.04517	0.9
61.02922	8.8
67.05479	0.3
69.03422	0.6
70.02939	1.8
71.04988	1.3
71.62087	0.3
72.04520	0.4
72.08160	0.3
73.02902	0.3
74.06054	0.3
75.04472	0.7
78.66982	0.3
82.06578	2.5
83.04979	4.5
84.04496	100.0
85.02895	16.3
85.04845	0.7
86.06068	0.8
86.64681	0.2
87.04462	7.0
96.04471	0.6
98.06078	0.5
99.04475	0.3
100.07600	1.4
101.05981	0.3
105.07030	0.6
110.06036	3.3
111.04428	1.4
112.03976	0.4
118.06559	0.4
119.08557	0.4
126.05497	5.5
128.06203	0.4
128.07066	4.9
129.05490	1.3
131.04858	0.2
142.08662	0.5
144.08067	0.3
146.05991	0.8
146.08116	0.9
146.10492	0.3
147.06529	0.5
147.08113	0.3
147.11665	0.3
159.11522	0.3
160.09718	0.5
170.08098	1.5
171.06479	0.4
171.11624	0.3
188.03673	0.6
188.07803	0.5
188.09181	13.2
188.15186	0.6
189.05434	0.4
189.09213	0.6
189.12758	0.8
189.16312	0.4
196.09689	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	188.0914
Annotation	N-(3-(S)-Hydroxybutyryl)homoserine lactone
Peak:m/z	Relative Intensity
55.05500	0.8
56.05031	1.9
57.03439	1.0
59.05003	2.7
59.05242	0.5
60.04508	1.4
61.02917	7.5
69.03418	1.2
69.45528	1.8
69.45950	2.6
70.02950	2.0
70.32494	0.4
71.04986	1.1
72.08128	0.4
72.77110	0.5
82.06565	2.0
83.04984	3.7
84.04492	100.0
85.02892	19.3
85.04826	1.2
86.06061	1.0
87.03929	0.7
87.04448	6.5
96.08090	0.5
98.06026	0.8
100.07596	1.6
102.05524	0.8
105.05462	0.5
110.06012	2.9
110.89166	0.5
111.04423	0.9
121.30026	0.5
126.05495	4.9
128.07060	5.2
129.05478	1.1
142.08742	0.5
146.08163	1.1
170.08173	2.0
188.09161	13.9
188.15089	0.6
189.12741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0916
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05516	0.6
56.05032	1.7
57.03437	1.3
58.06597	0.4
59.05003	1.9
60.04512	1.3
61.02921	8.1
68.05049	0.4
69.03433	1.0
70.02947	2.3
70.08620	1.3
71.04990	1.0
75.04469	1.0
82.06573	2.1
83.04987	4.0
84.04498	100.0
85.02898	16.7
85.03428	0.6
85.04825	0.9
86.06062	0.6
87.04465	5.7
96.04475	0.5
96.08167	0.4
96.38770	0.3
98.06046	0.5
98.20760	0.4
99.03452	0.3
100.07618	1.6
101.05978	0.4
105.05547	0.5
110.06037	2.5
111.04433	1.3
119.08581	0.5
124.07587	0.4
126.05525	5.3
128.07072	5.6
129.05463	1.4
132.57756	0.5
142.08612	0.3
146.08112	0.8
152.07022	0.3
165.21420	0.3
170.08122	2.0
171.06483	0.4
188.09177	14.4
188.15179	0.6
189.09245	0.4
189.12691	0.3
189.16362	0.7
196.70609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05513	0.6
56.05033	1.7
57.03424	1.5
58.77298	0.4
59.04990	2.1
60.04516	1.1
61.02921	8.5
61.19791	0.3
65.27576	0.4
66.51607	0.3
68.05025	0.4
69.03439	0.9
69.65910	1.2
69.66339	1.6
70.01579	0.4
70.02950	2.2
71.04990	1.2
72.04497	0.5
72.08136	0.4
75.04477	0.7
82.06586	2.1
83.04974	4.3
84.04498	100.0
85.02898	17.7
85.03429	0.5
85.04836	0.8
86.06072	0.7
87.04460	6.3
94.77338	0.3
96.04580	0.3
96.08178	0.4
98.06010	0.5
98.20781	0.7
100.07610	1.6
105.07011	0.6
110.06010	2.4
111.04462	1.0
112.03932	0.5
117.07027	0.4
118.06544	0.5
119.08580	0.6
124.07569	0.4
126.05507	4.9
128.06190	0.7
128.07062	5.8
129.05461	1.2
131.08533	0.5
142.08614	0.9
145.10092	0.7
146.05994	0.9
146.08136	1.1
146.10483	0.7
156.09311	0.4
170.08131	2.4
171.06575	0.5
171.11510	0.4
188.07755	0.8
188.09186	13.7
188.15071	1.1
189.05450	0.5
189.09135	1.0
189.12740	1.1
189.16379	0.5
192.11232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0915
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05519	1.0
56.05025	1.9
57.03436	0.8
58.94556	0.5
59.04995	2.7
60.04515	1.6
61.02605	0.4
61.02920	8.3
67.05497	0.5
68.05019	0.6
69.03404	0.9
70.02946	1.9
71.04986	1.0
71.15792	0.6
71.16145	0.8
75.04488	0.6
81.07069	0.6
81.76295	0.4
82.06570	2.8
83.04978	5.7
84.04497	100.0
85.02898	18.9
85.04814	0.6
86.06034	1.1
87.04461	6.1
91.05461	0.6
95.08577	0.5
96.04456	0.5
98.06030	0.9
100.07606	1.2
105.07069	1.1
110.06005	3.2
111.04429	1.9
112.03957	0.6
119.08573	1.1
126.05511	5.6
128.07069	5.7
129.05461	1.6
133.10133	1.5
136.18820	0.4
142.08597	0.6
145.10109	0.8
146.08144	1.0
146.10463	1.7
147.11652	0.7
160.09698	0.5
170.08095	2.2
188.09177	13.9
188.15225	2.8
189.09225	0.5
189.12680	0.5
189.16399	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	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.41346	1.4
72.81821	0.6
84.45751	0.5
91.05475	2.2
105.90575	0.6
115.04801	0.4
115.05480	3.5
117.07000	3.1
117.16283	0.5
118.06537	49.2
119.06859	1.0
132.08104	0.6
142.06499	4.6
143.07304	7.3
144.04431	0.6
144.08078	23.9
145.06474	1.0
146.06000	100.0
147.06345	2.2
160.07585	0.9
170.06012	7.8
188.07053	39.6
189.07347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66070	0.5
60.29954	0.5
70.20122	2.7
70.20511	0.9
70.27010	0.6
84.22118	0.5
85.88162	0.5
91.05467	4.9
98.21469	0.7
110.01195	0.5
115.05457	7.8
117.05737	2.1
117.07011	6.7
118.06536	90.1
119.06864	1.3
132.08095	0.9
137.71545	0.5
142.06514	8.1
143.07297	15.6
144.04469	0.7
144.08084	26.9
145.06502	1.3
146.06001	100.0
147.06349	1.3
148.31659	0.6
155.06029	1.1
160.07582	1.3
170.06009	10.4
188.07053	27.7
208.79921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03926	2.3
53.88017	1.5
55.01865	2.2
55.05501	10.4
55.64906	1.8
56.96544	3.3
57.03419	4.6
57.07055	4.8
59.06112	2.1
60.04511	1.9
61.02913	2.4
67.05499	58.9
68.05022	1.8
68.95104	1.7
69.03422	7.0
69.07053	8.1
71.01370	1.9
71.04986	72.9
72.04499	1.7
72.08122	1.9
73.02876	1.4
75.98457	1.7
79.05479	16.3
81.03411	7.4
81.07050	54.8
83.04968	9.2
83.08609	5.3
84.04498	40.5
85.02901	12.9
85.06534	100.0
86.06036	1.8
87.04450	1.8
88.02198	8.6
91.05474	45.7
93.07036	14.3
95.04940	5.2
95.08593	11.3
97.06502	4.6
98.20716	3.2
99.04436	3.8
99.08067	2.2
100.54561	1.4
103.05431	1.9
105.07019	45.7
107.08589	37.2
109.02844	3.6
109.06510	8.4
109.10145	57.1
111.04449	3.0
115.05368	2.6
116.06227	1.8
117.07046	9.4
118.06531	1.7
119.08574	3.9
123.04401	2.3
123.08056	4.8
123.11700	10.1
125.05898	1.7
125.09615	2.0
126.05567	2.1
127.03899	13.5
127.07485	2.8
128.06194	2.1
128.07065	3.1
129.06992	8.1
130.07809	1.6
131.04924	2.9
131.08566	21.8
133.10120	90.0
134.10492	2.8
137.98389	1.9
141.05449	6.2
141.07022	3.4
142.08672	2.7
143.08560	4.1
144.04587	2.0
144.05666	9.6
144.09334	4.1
145.06494	3.6
145.10114	31.1
146.05959	5.5
146.08104	1.8
151.11169	48.6
155.03351	9.5
157.06453	1.7
157.10046	3.4
159.06935	2.4
159.08057	14.2
159.11673	14.5
169.04913	2.6
169.12213	18.6
170.08089	4.1
172.05211	6.3
172.08879	3.8
172.12518	2.8
173.00824	5.9
187.03807	3.5
187.05988	2.3
187.07497	35.0
187.09216	2.1
187.09584	1.9
187.11150	16.9
187.13086	2.8
187.14787	32.4
188.06868	1.7
188.09309	7.2
188.15129	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
54.91175	1.2
55.01862	3.5
55.05513	9.1
55.93514	1.8
56.05032	17.2
56.05844	1.4
56.96563	26.1
57.03436	7.1
58.06604	7.5
59.04988	1.9
59.06110	1.8
60.04524	8.2
61.02906	2.1
67.05499	16.6
68.05020	8.1
68.05837	1.5
69.03423	19.9
69.04527	1.4
69.07063	14.8
70.02938	2.7
70.04084	1.9
70.06239	2.2
70.06589	33.5
71.01329	3.9
71.02460	4.4
71.04947	6.1
71.06905	3.5
71.59978	1.3
71.60391	1.9
72.04508	3.4
72.08149	13.7
72.93755	2.6
73.02895	3.4
73.06538	2.4
73.28187	1.3
79.05513	6.8
80.05005	4.3
81.03419	15.3
81.05774	3.0
81.07048	5.1
82.02952	2.0
82.06559	7.5
82.94836	2.0
83.04964	5.3
83.06081	4.0
84.04496	18.2
84.08136	41.9
85.02894	24.1
85.04025	1.4
85.06516	2.5
85.07668	1.9
85.08463	1.7
86.06066	4.8
86.09692	3.2
87.04460	3.4
88.02203	1.6
88.07635	1.6
90.94791	2.7
91.05457	4.1
93.07032	4.8
94.06562	19.9
95.04959	18.9
95.06083	2.1
95.08581	2.7
96.04475	4.9
96.08119	26.4
97.00793	1.9
97.02895	9.4
97.05130	3.0
97.06512	6.0
97.07637	3.5
98.06061	16.5
98.07121	1.5
98.09670	4.6
98.97593	7.6
99.04367	7.1
99.05562	3.1
100.03967	3.2
100.07610	3.4
102.05554	1.8
102.09162	2.1
103.00646	1.8
105.07014	2.4
107.04926	1.8
107.08549	1.9
108.04459	5.2
108.08107	2.6
109.02883	5.8
109.06488	3.1
109.07652	4.0
110.06010	5.0
110.07161	3.2
110.09650	2.2
111.04456	2.9
111.05564	2.5
111.08033	1.6
111.09198	2.0
112.03931	2.4
112.07595	51.1
112.11233	4.0
113.05990	11.3
113.07127	2.0
113.69736	1.4
114.05523	24.0
114.06642	6.4
114.09155	4.4
115.00576	1.5
116.07092	6.0
116.98614	8.3
119.01925	4.7
121.00773	8.5
121.01665	27.2
121.02441	2.5
122.06021	33.9
122.09669	4.2
123.04483	7.0
123.06796	6.5
123.08024	2.4
123.09138	2.0
123.97426	2.3
124.03885	2.8
124.07595	18.2
125.06974	14.5
125.10745	1.7
126.05511	27.4
126.06512	3.3
126.09135	13.5
127.03902	7.6
127.04910	2.0
127.08681	2.8
127.12309	2.7
128.07082	3.4
128.10681	2.4
128.98575	2.6
129.05507	1.4
129.06563	3.3
129.10231	5.3
130.06526	3.2
130.07365	2.8
130.08646	2.9
131.08565	1.6
131.97476	1.5
134.05901	1.6
134.09663	2.6
134.99657	7.9
136.06163	10.4
137.02872	2.0
137.05945	2.0
138.05492	36.3
138.98878	1.4
139.01791	21.7
139.02724	13.8
139.08676	1.8
140.03403	3.2
140.07056	100.0
140.10692	29.2
141.04120	1.8
141.05426	3.0
141.06407	1.3
141.07500	1.3
141.10201	3.5
142.04913	1.7
142.08649	8.7
143.08142	2.5
144.03230	5.6
144.06534	18.5
144.07683	10.1
144.08893	4.5
144.10147	3.9
144.98044	1.5
145.03445	1.6
146.99623	4.0
150.05452	7.3
150.09152	4.0
151.06250	4.5
151.07472	2.1
152.07050	2.8
153.06424	5.8
154.04884	1.8
155.04630	5.7
156.06479	1.9
157.09831	1.9
158.06006	3.2
158.08122	4.6
158.10440	2.6
158.99702	1.5
162.04312	3.8
162.99164	3.8
163.01727	16.5
163.97710	1.9
164.05121	6.9
166.55450	2.1
168.06537	24.2
168.07910	1.8
168.10168	4.9
168.13846	5.0
169.07298	2.2
169.09709	6.7
169.13338	15.8
170.11757	4.9
171.11214	1.5
172.95309	2.2
173.00822	8.7
177.00706	4.3
181.00317	2.4
181.02808	51.6
185.62825	6.2
185.97429	2.0
186.02106	1.8
186.03784	3.0
186.06093	2.7
186.07617	79.6
186.09344	6.3
186.11057	20.2
186.12215	3.0
186.13591	3.8
186.14885	29.6
186.16319	2.7
186.18513	4.9
187.02356	2.2
187.11037	2.3
187.14345	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	186.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
54.91175	1.2
55.01862	3.5
55.05513	9.1
55.93514	1.8
56.05032	17.2
56.05844	1.4
56.96563	26.1
57.03436	7.1
58.06604	7.5
59.04988	1.9
59.06110	1.8
60.04524	8.2
61.02906	2.1
67.05499	16.6
68.05020	8.1
68.05837	1.5
69.03423	19.9
69.04527	1.4
69.07063	14.8
70.02938	2.7
70.04084	1.9
70.06239	2.2
70.06589	33.5
71.01329	3.9
71.02460	4.4
71.04947	6.1
71.06905	3.5
71.59978	1.3
71.60391	1.9
72.04508	3.4
72.08149	13.7
72.93755	2.6
73.02895	3.4
73.06538	2.4
73.28187	1.3
79.05513	6.8
80.05005	4.3
81.03419	15.3
81.05774	3.0
81.07048	5.1
82.02952	2.0
82.06559	7.5
82.94836	2.0
83.04964	5.3
83.06081	4.0
84.04496	18.2
84.08136	41.9
85.02894	24.1
85.04025	1.4
85.06516	2.5
85.07668	1.9
85.08463	1.7
86.06066	4.8
86.09692	3.2
87.04460	3.4
88.02203	1.6
88.07635	1.6
90.94791	2.7
91.05457	4.1
93.07032	4.8
94.06562	19.9
95.04959	18.9
95.06083	2.1
95.08581	2.7
96.04475	4.9
96.08119	26.4
97.00793	1.9
97.02895	9.4
97.05130	3.0
97.06512	6.0
97.07637	3.5
98.06061	16.5
98.07121	1.5
98.09670	4.6
98.97593	7.6
99.04367	7.1
99.05562	3.1
100.03967	3.2
100.07610	3.4
102.05554	1.8
102.09162	2.1
103.00646	1.8
105.07014	2.4
107.04926	1.8
107.08549	1.9
108.04459	5.2
108.08107	2.6
109.02883	5.8
109.06488	3.1
109.07652	4.0
110.06010	5.0
110.07161	3.2
110.09650	2.2
111.04456	2.9
111.05564	2.5
111.08033	1.6
111.09198	2.0
112.03931	2.4
112.07595	51.1
112.11233	4.0
113.05990	11.3
113.07127	2.0
113.69736	1.4
114.05523	24.0
114.06642	6.4
114.09155	4.4
115.00576	1.5
116.07092	6.0
116.98614	8.3
119.01925	4.7
121.00773	8.5
121.01665	27.2
121.02441	2.5
122.06021	33.9
122.09669	4.2
123.04483	7.0
123.06796	6.5
123.08024	2.4
123.09138	2.0
123.97426	2.3
124.03885	2.8
124.07595	18.2
125.06974	14.5
125.10745	1.7
126.05511	27.4
126.06512	3.3
126.09135	13.5
127.03902	7.6
127.04910	2.0
127.08681	2.8
127.12309	2.7
128.07082	3.4
128.10681	2.4
128.98575	2.6
129.05507	1.4
129.06563	3.3
129.10231	5.3
130.06526	3.2
130.07365	2.8
130.08646	2.9
131.08565	1.6
131.97476	1.5
134.05901	1.6
134.09663	2.6
134.99657	7.9
136.06163	10.4
137.02872	2.0
137.05945	2.0
138.05492	36.3
138.98878	1.4
139.01791	21.7
139.02724	13.8
139.08676	1.8
140.03403	3.2
140.07056	100.0
140.10692	29.2
141.04120	1.8
141.05426	3.0
141.06407	1.3
141.07500	1.3
141.10201	3.5
142.04913	1.7
142.08649	8.7
143.08142	2.5
144.03230	5.6
144.06534	18.5
144.07683	10.1
144.08893	4.5
144.10147	3.9
144.98044	1.5
145.03445	1.6
146.99623	4.0
150.05452	7.3
150.09152	4.0
151.06250	4.5
151.07472	2.1
152.07050	2.8
153.06424	5.8
154.04884	1.8
155.04630	5.7
156.06479	1.9
157.09831	1.9
158.06006	3.2
158.08122	4.6
158.10440	2.6
158.99702	1.5
162.04312	3.8
162.99164	3.8
163.01727	16.5
163.97710	1.9
164.05121	6.9
166.55450	2.1
168.06537	24.2
168.07910	1.8
168.10168	4.9
168.13846	5.0
169.07298	2.2
169.09709	6.7
169.13338	15.8
170.11757	4.9
171.11214	1.5
172.95309	2.2
173.00822	8.7
177.00706	4.3
181.00317	2.4
181.02808	51.6
185.62825	6.2
185.97429	2.0
186.02106	1.8
186.03784	3.0
186.06093	2.7
186.07617	79.6
186.09344	6.3
186.11057	20.2
186.12215	3.0
186.13591	3.8
186.14885	29.6
186.16319	2.7
186.18513	4.9
187.02356	2.2
187.11037	2.3
187.14345	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	184.0967
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
53.03930	1.4
54.03484	0.8
55.01887	1.1
55.05501	3.2
56.05027	1.7
56.96558	3.9
57.03431	1.2
58.02958	2.8
58.06590	1.3
59.06112	1.6
59.30886	0.7
60.04522	17.7
65.03950	0.9
67.05502	5.6
68.05013	2.4
69.03426	2.6
69.07059	95.7
69.74592	3.5
69.75010	1.5
70.06585	10.6
70.07403	2.1
71.04988	2.6
71.08629	3.7
72.04511	1.0
72.08144	4.7
72.93740	0.7
73.02900	1.3
79.05489	4.8
80.05008	3.2
81.03403	1.3
81.04543	0.9
81.05777	1.3
81.07043	3.4
82.06568	3.9
83.04975	3.4
83.06091	2.0
83.08604	0.8
84.04496	1.7
84.08130	8.1
85.02895	2.7
85.07635	1.2
86.02416	14.3
86.06077	1.1
86.09689	2.1
87.04461	0.8
91.05464	5.9
93.07037	15.1
94.06564	12.5
95.04964	5.5
95.06076	1.3
95.07341	15.8
95.08600	4.1
96.04485	2.2
96.05265	3.7
96.08122	29.2
97.02875	2.9
97.06513	12.4
97.07631	2.2
98.06074	1.6
98.09686	4.7
100.07610	1.6
101.00856	1.5
101.07138	0.9
101.95045	1.7
102.96812	0.8
103.05452	2.3
105.03389	1.2
105.07017	1.0
106.03690	1.5
107.08590	2.3
108.08103	15.3
109.06521	2.0
109.07614	1.7
109.08868	2.5
109.10120	2.7
110.06038	1.7
110.09669	52.4
111.04446	0.9
111.08078	1.0
111.09238	1.2
111.09942	1.7
112.07573	1.3
113.02673	0.7
113.07081	0.9
114.05548	1.0
115.05465	1.2
116.98613	0.7
119.01909	13.7
119.08520	0.9
119.96030	1.5
120.01965	1.6
120.08094	31.6
120.97887	1.5
121.06484	2.6
121.08388	0.9
121.10114	1.9
122.06031	1.3
122.07109	0.8
122.09650	1.2
123.04447	1.8
123.06795	2.3
124.03950	1.2
124.04729	4.0
124.07592	2.9
124.08588	1.0
124.11242	0.8
125.02377	0.9
125.07095	2.1
125.09647	1.0
126.05510	0.9
126.09132	1.3
127.08662	1.4
128.06200	1.7
129.06985	2.9
130.55272	1.2
131.01924	1.6
131.08557	1.1
131.12924	0.9
134.55418	0.7
135.06790	1.3
136.06157	1.1
136.07568	3.9
137.02946	9.2
137.09622	2.5
137.97093	2.1
138.03049	0.8
138.05501	3.4
138.09120	57.4
138.12737	2.0
138.98851	3.4
139.07544	1.6
139.08522	0.7
139.09515	1.3
139.11191	0.9
141.05005	1.6
142.03513	3.2
142.07722	1.4
143.03552	0.7
143.08549	4.0
143.55948	0.7
145.03424	2.1
148.07564	8.0
149.09641	1.2
153.05499	1.0
155.08466	1.5
155.98149	2.3
156.10255	7.2
156.13802	8.7
156.99948	1.0
157.10120	3.5
160.04561	2.5
160.97472	1.5
161.02908	3.1
162.62517	1.0
163.04561	1.2
163.63316	1.8
166.08611	38.5
167.06876	1.2
167.10612	1.7
168.07257	0.9
170.10907	1.9
172.56335	1.9
173.03073	0.8
173.06445	2.2
178.98489	1.2
179.03958	2.3
181.56841	7.0
182.06931	1.6
183.64058	1.7
184.06119	2.0
184.09665	100.0
184.13162	6.2
184.14645	7.2
184.64771	1.6
185.02982	1.4
185.09933	1.7
185.13280	8.8
185.14983	1.2
200.07591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.05506	1.0
56.05026	0.9
56.96552	1.1
58.06592	0.7
60.07875	1.0
60.08159	15.1
60.95847	0.8
62.67154	0.7
69.07043	1.0
71.07372	7.1
71.63200	1.1
71.95253	1.0
74.16334	0.6
81.03384	0.8
84.08136	1.1
86.09702	76.0
95.04966	0.9
96.05292	1.0
97.06535	0.7
98.98461	11.5
101.95033	9.9
102.96865	1.6
104.10761	3.1
105.03329	0.7
106.03719	1.1
117.06999	0.7
119.96069	7.2
120.97878	3.0
124.04749	1.5
124.99998	63.2
128.06158	1.0
129.06967	1.1
137.97099	10.7
137.99237	0.8
138.98932	6.0
142.07799	1.1
142.97670	1.2
142.98759	0.8
143.01077	1.5
143.08562	3.1
155.98125	8.0
156.09293	0.7
156.13829	2.0
156.99992	1.9
157.10107	1.5
160.98697	3.7
162.00626	1.2
166.02667	1.0
178.99753	2.6
180.01627	0.7
184.07336	100.0
185.07671	1.7
185.13274	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	184.0725
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05021	1.6
59.03430	0.7
60.08159	17.4
60.95826	1.2
70.06482	4.8
71.07375	12.0
84.04455	0.7
84.08103	1.0
86.09700	97.2
96.05312	0.8
98.20867	1.0
98.98458	18.3
101.95033	9.7
102.96888	1.3
104.10726	4.8
119.96052	6.7
120.97901	2.4
124.04737	1.3
125.00000	77.9
125.15629	0.7
129.07062	0.9
137.97102	7.7
137.99886	1.2
138.98923	3.5
143.01057	1.4
143.08572	1.5
155.98170	4.1
156.13838	1.5
157.10144	1.1
159.58839	0.8
160.98694	2.7
178.99768	1.3
184.07332	100.0
185.13240	2.8
200.97453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0967
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
53.00302	0.4
54.43785	0.2
55.01860	0.3
55.05511	0.7
56.05012	0.3
56.05802	0.2
56.96570	0.2
57.03446	0.2
58.02958	2.7
58.06599	0.3
60.04519	17.7
67.05496	1.2
69.03425	0.5
69.07062	100.0
70.06575	0.5
70.07398	0.9
70.75207	0.6
71.04991	0.4
71.08629	3.2
72.08147	0.7
79.05470	0.5
81.07042	0.6
82.02948	0.3
82.06570	0.4
83.04980	0.6
83.06129	0.2
83.08582	0.3
84.04504	0.3
84.08127	0.7
85.02902	0.3
86.02422	15.4
86.06055	0.9
86.09711	0.4
91.05469	0.5
91.62635	0.2
93.07038	0.7
95.04955	0.8
95.06055	0.2
95.08600	0.9
96.04478	1.2
96.05281	0.5
96.08907	0.2
97.06525	5.0
97.07581	0.2
100.07608	1.1
101.95025	0.6
105.06953	0.3
106.03663	0.3
107.08553	0.5
108.08121	0.3
109.06536	0.3
109.10146	0.5
110.06047	0.4
110.09692	1.2
111.04465	0.2
111.08091	0.2
111.09212	0.2
114.05488	0.2
119.01944	1.8
119.96047	0.4
120.97894	0.3
121.06458	0.3
121.10144	0.4
123.04449	0.5
123.08091	0.3
124.04751	0.6
124.07601	0.3
124.08595	0.3
125.06045	0.3
125.07108	0.6
125.09623	0.2
126.05498	0.2
128.06244	0.4
129.06984	0.6
137.02966	1.0
137.09593	0.3
138.05472	0.5
138.09122	7.1
138.99016	0.5
139.11195	0.2
140.04604	0.3
141.04985	0.2
142.03510	0.5
142.05087	0.3
142.07761	0.3
143.08557	0.9
148.07542	0.6
155.98135	0.4
156.08972	0.4
156.10190	5.3
156.13695	0.3
157.04900	0.3
157.10112	0.7
160.04602	0.2
161.02922	0.4
166.05037	0.2
166.08592	2.6
167.07008	0.4
167.10632	0.3
170.10847	0.3
179.03906	0.4
184.09669	38.0
185.09946	0.6
185.13190	2.1
185.88876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29762	6.4
50.94342	6.7
51.50371	6.6
53.76968	7.2
65.62078	7.3
70.16868	36.4
73.02925	9.1
85.02892	7.6
93.28467	6.4
101.00842	15.0
104.10770	20.6
111.36948	7.0
113.69296	6.5
119.01919	100.0
137.02954	43.7
142.03505	20.1
143.08258	6.5
147.54190	6.6
156.07097	6.6
160.04558	10.6
161.02963	18.0
169.41032	6.4
174.03156	7.3
179.03970	13.1
184.03638	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74819	0.2
60.00627	0.2
71.24738	0.4
71.65365	0.2
82.99821	0.7
83.72667	0.1
100.02448	0.3
101.00865	10.9
101.95018	0.4
102.00951	0.6
118.03503	0.5
119.01909	100.0
120.01235	0.3
120.02005	4.4
120.03018	0.2
121.01610	0.4
121.02369	0.3
124.02409	0.9
125.02489	0.2
126.02263	0.2
126.30458	0.1
136.04517	0.3
137.02943	47.3
137.97156	0.2
138.03058	1.9
142.03485	23.3
143.01836	0.3
143.03691	2.3
144.03218	0.4
158.06567	0.3
160.04549	9.5
161.02936	8.0
161.04564	2.3
162.03009	0.2
162.04283	0.5
165.05139	1.0
172.38826	0.2
178.05594	0.3
179.03983	15.6
179.05472	1.1
180.04124	0.3
183.06094	0.3
184.04506	0.6
184.05991	0.2
202.05576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
51.02380	0.8
53.03941	9.7
55.01875	3.3
55.05507	0.8
56.96554	0.7
57.03444	0.5
59.06115	1.2
65.03932	4.1
67.05499	8.2
69.03428	1.4
69.07081	1.0
70.06602	0.6
71.04988	1.0
72.09814	0.4
75.03304	0.5
77.03909	1.3
79.05501	0.9
81.03422	1.3
81.07062	2.6
83.06091	0.5
83.70156	0.5
84.08144	1.1
85.06532	0.6
86.08413	0.6
91.05492	0.7
93.03395	0.9
93.07034	1.3
95.04960	100.0
95.08607	3.1
96.05296	1.1
96.08146	0.5
97.02872	0.8
97.06513	1.3
98.98466	3.6
99.04474	0.6
105.03392	4.0
105.04499	3.8
105.07039	0.9
107.08564	1.1
109.06529	0.6
109.10166	1.3
111.04431	1.5
119.01909	0.6
119.08596	1.4
119.26040	0.5
121.03996	0.7
121.10171	0.7
122.03610	0.6
123.04416	88.2
123.08045	1.9
123.11735	0.8
124.04758	0.9
125.02337	3.3
125.05998	0.8
125.07121	0.6
127.01540	0.9
127.07522	0.8
137.00114	0.6
137.05902	1.1
137.09633	1.3
139.11122	0.5
140.04669	28.6
147.08084	0.5
147.11694	1.0
155.07013	28.4
165.05458	0.9
165.09171	0.6
165.12624	0.5
166.08589	0.9
173.08000	0.5
183.06534	9.7
183.09097	4.5
183.11954	1.5
183.13658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
51.69556	0.8
55.01859	0.7
55.05505	5.4
56.96552	0.9
57.07063	2.4
58.02959	24.7
61.47538	0.6
67.05500	15.6
69.07066	49.0
69.60149	2.7
69.60567	2.1
70.06580	1.7
70.07406	0.7
71.94393	0.6
72.08181	0.7
74.06059	1.4
74.79246	0.6
79.05503	3.8
81.07051	12.9
83.04964	1.6
83.08620	5.5
84.04504	0.7
84.08137	7.0
86.06044	0.7
91.05479	3.9
93.07033	6.9
95.04959	2.4
95.08601	5.8
97.06524	3.1
98.06047	2.0
98.09675	1.5
98.20788	1.2
98.97579	4.4
99.97914	1.6
100.07621	5.2
103.64339	0.7
105.03361	0.9
105.07018	9.9
107.08588	12.4
109.06519	2.2
109.10152	39.4
110.10455	1.3
112.07584	2.4
114.09164	12.4
116.98652	4.7
117.98978	1.8
121.10123	1.4
123.04435	1.6
123.08023	1.0
123.11686	5.5
126.09139	12.3
126.12828	0.9
133.10127	25.3
134.99658	3.1
135.11682	14.5
135.12697	1.1
136.00041	2.2
138.12767	15.1
140.00151	0.8
140.04732	0.8
140.10674	1.1
140.14340	1.2
144.82722	0.6
147.11656	3.3
151.11168	9.5
153.12746	11.6
154.15866	0.7
158.01216	0.8
159.36137	0.6
164.14343	3.0
165.12718	1.7
182.15398	100.0
183.15735	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	182.1174
Annotation	METHYLSYNEPHRINE
Peak:m/z	Relative Intensity
51.58159	0.2
53.03934	0.8
55.01616	0.4
55.01864	3.7
55.05488	0.7
56.05020	0.5
56.96552	0.7
65.03915	0.6
67.05494	2.0
68.05011	0.3
69.03416	0.4
69.07056	0.6
71.04971	0.2
71.21555	0.3
75.97472	0.2
79.05493	1.2
80.04988	0.8
81.03424	0.3
81.07027	0.9
82.06560	0.6
83.04952	0.7
84.08128	0.5
91.05476	1.9
93.05784	0.3
93.07031	1.3
94.06555	3.0
95.04962	6.5
95.07303	0.3
95.08591	0.8
96.04447	0.4
96.05314	0.3
96.08118	2.7
98.06027	0.9
98.97578	0.7
98.98463	0.4
105.03356	0.4
105.07037	1.3
107.07322	0.6
107.08562	0.5
108.04451	0.3
108.08106	4.6
108.08835	0.4
109.06506	0.3
110.06061	0.3
110.09673	1.4
112.07599	1.5
116.98633	1.3
117.06986	0.3
117.98938	0.7
118.06515	1.0
119.08569	1.4
120.08094	1.5
121.06466	0.5
121.08867	0.7
121.10121	0.3
122.06006	0.7
122.06827	0.3
122.08862	0.3
122.09670	4.9
122.10484	0.3
123.04422	6.2
123.05373	0.5
123.08000	0.4
124.07572	0.4
125.05963	0.5
126.06275	0.5
127.01524	0.2
128.10678	0.2
129.06998	0.4
131.07277	0.7
134.09636	1.9
134.99651	1.9
135.08022	1.0
135.99960	0.7
136.07599	2.8
136.11205	15.5
137.06038	0.3
137.11559	0.3
140.04692	2.2
140.08160	0.9
140.10683	4.6
146.09631	3.4
147.08032	1.0
149.08302	0.5
152.07048	0.3
152.10710	1.1
154.08614	0.3
154.12267	4.0
155.07030	1.8
158.01262	0.3
162.09103	0.8
164.07016	0.7
164.10698	41.1
165.09108	0.4
165.11006	1.1
182.11751	100.0
183.06464	0.6
183.09157	0.5
183.12122	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	182.0811
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03936	0.5
55.05510	0.6
56.05025	0.4
56.96552	1.6
56.97772	0.4
59.06097	0.5
61.72200	0.3
65.03939	0.4
67.05501	0.9
68.05019	0.4
69.03408	0.7
69.24656	0.4
70.06585	0.6
70.93369	0.9
70.93698	0.4
74.02428	1.8
79.05487	0.6
81.03421	0.5
81.07062	0.5
84.04472	0.4
84.08137	3.7
91.05472	25.2
92.05815	0.7
94.06561	1.1
95.04961	6.2
96.04483	0.4
98.06020	0.9
98.09680	1.0
98.97577	1.8
98.98459	0.5
99.97929	0.5
103.05452	1.2
105.03405	0.4
107.04936	1.1
108.05247	0.7
108.08105	0.6
109.06580	2.2
109.07629	0.6
112.03962	0.4
112.55726	2.1
113.05904	6.0
113.56040	0.4
116.98584	1.8
117.98962	0.8
118.06546	3.5
119.04932	31.8
120.05257	0.4
121.06481	1.1
122.06021	0.7
122.09676	0.4
123.04420	16.9
126.55529	0.4
127.05597	2.4
134.99635	1.5
135.06761	1.7
135.56955	6.6
135.99994	1.0
136.07567	100.0
137.07921	1.5
140.04652	0.5
140.08144	0.5
146.06030	0.6
147.04384	6.1
154.08636	0.6
164.07051	1.8
165.05457	10.5
170.48865	0.5
181.64336	2.6
182.00926	0.7
182.08105	6.0
182.09470	0.5
182.11694	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	182.1176
Annotation	METHYLSYNEPHRINE
Peak:m/z	Relative Intensity
53.03939	0.2
55.01866	0.8
55.05494	0.2
55.73552	0.2
56.05024	0.5
56.96554	0.5
58.06581	0.2
59.06099	0.2
67.05480	0.7
68.05019	0.2
69.03393	0.2
69.78517	0.7
69.78941	0.5
70.06581	0.7
77.19610	0.2
79.05478	0.5
80.05013	0.3
81.07085	0.3
82.06590	0.4
83.04967	0.2
84.04475	0.4
84.08141	3.0
86.03517	0.2
91.05463	0.7
93.07037	0.6
94.06544	0.4
95.04960	2.2
95.08591	0.3
96.04488	0.2
96.08113	0.4
98.06042	0.4
98.09734	0.8
98.20786	0.3
98.97565	1.1
98.98450	0.5
99.97912	0.6
100.07648	0.2
105.03374	0.4
105.07019	0.2
108.08116	0.8
108.08742	0.2
109.06490	0.2
109.10199	0.2
110.06007	0.3
110.09682	0.4
111.09164	0.2
112.07562	0.7
116.98605	1.3
117.10464	0.2
117.98943	0.6
118.06485	0.2
119.08566	0.7
120.08058	0.4
121.06602	0.2
122.05999	0.5
122.07138	0.2
122.09653	0.7
123.04419	1.7
123.05434	0.3
123.08094	0.4
124.07520	0.2
125.05956	0.6
133.02821	0.2
134.09647	0.4
134.99638	1.7
135.08047	0.2
135.99977	0.7
136.07599	1.1
136.08510	0.2
136.11201	1.9
137.05904	0.3
137.09581	0.2
138.09154	0.2
140.04709	0.4
140.08170	0.6
140.10693	1.2
146.09642	0.6
147.08009	0.8
150.12770	0.4
152.07045	0.3
153.00740	0.2
153.09093	4.5
154.08620	0.5
154.12309	0.6
155.07033	0.5
158.13713	0.5
160.11201	0.2
164.07043	0.6
164.10701	11.2
165.09135	0.5
165.11105	0.2
172.63914	0.2
174.10236	0.2
181.64368	5.8
182.11757	100.0
183.06503	0.3
183.09135	0.4
183.12086	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Jasmololone
Peak:m/z	Relative Intensity
55.05504	3.6
56.96564	9.1
57.07072	17.9
67.05514	1.7
69.03444	2.3
69.07059	3.3
71.04475	1.6
71.04975	1.3
79.05502	10.7
81.03422	5.5
81.07045	4.9
82.04553	1.5
83.04978	36.4
83.08598	1.7
85.32833	1.5
87.50738	1.5
88.89857	1.6
93.07051	6.6
93.81055	1.5
95.04961	11.1
97.06534	20.0
98.21516	4.2
98.97581	30.0
107.04942	3.1
107.08604	8.1
116.98608	54.2
117.07068	1.9
121.06518	3.9
121.10146	8.9
125.05987	54.4
134.99654	100.0
135.07964	1.6
135.11696	4.5
140.00162	8.3
145.10129	7.1
147.44691	1.5
153.00697	31.8
158.01254	29.8
163.03894	2.2
163.11176	62.6
176.02325	4.8
181.02870	5.5
181.04881	3.9
181.06438	2.6
181.08607	1.6
181.12218	25.8
181.15953	2.7
181.64392	2.9
182.11725	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	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01854	1.8
55.05498	2.0
56.96560	11.1
57.07073	21.4
59.05001	3.0
59.89181	1.1
64.04005	1.4
67.05492	3.3
69.07066	3.5
70.79901	4.0
71.20434	1.2
79.05482	6.2
79.13680	1.3
80.29713	1.2
81.03416	6.0
81.07052	5.0
83.04975	38.2
91.05480	3.1
91.25240	1.2
91.52594	1.2
93.07035	7.7
95.04952	14.5
95.08604	1.8
97.06525	24.9
98.07188	1.5
98.97571	30.7
99.05560	18.2
105.07009	3.0
107.04954	3.1
107.08579	11.1
111.08080	1.4
116.98607	53.9
116.99439	2.8
117.07022	2.0
119.08562	3.2
121.06544	2.7
121.10130	12.1
125.05980	71.9
134.99643	100.0
135.04399	1.7
135.08049	2.1
135.11697	6.0
136.07455	1.5
139.07515	2.0
139.08594	1.3
140.00175	8.3
140.08203	2.5
145.10071	7.3
153.00697	28.7
158.01242	29.2
158.58614	1.3
163.03920	3.3
163.07486	1.9
163.11166	75.2
164.11513	2.6
169.87497	1.3
176.02274	9.9
177.90340	1.3
181.01353	2.6
181.02835	6.4
181.04933	4.9
181.06453	3.3
181.08609	1.2
181.10767	3.1
181.12198	29.5
181.15921	1.8
199.03937	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	180.1018
Annotation	Fusaric acid
Peak:m/z	Relative Intensity
65.06217	0.2
66.23563	0.3
67.05486	0.4
71.08032	0.6
79.05471	0.3
80.05013	1.2
91.05445	0.6
95.07413	0.2
96.04483	0.6
98.97564	1.4
103.05463	0.3
105.05779	0.3
105.06992	0.2
106.06538	1.1
107.08560	0.5
108.04468	0.5
109.05229	0.6
110.05964	0.4
115.05404	0.4
116.98607	1.8
117.07010	2.2
120.08051	0.3
122.06046	0.4
126.05518	1.5
126.95747	0.2
133.05220	6.5
134.06006	4.8
134.09636	3.0
134.99643	1.3
136.07574	0.3
143.07300	0.3
144.08081	1.6
145.06459	0.7
146.05992	0.7
147.06781	5.0
150.09143	0.4
158.01263	0.3
160.07573	0.6
162.09125	27.9
163.09471	0.7
180.10176	100.0
181.10516	3.6
181.74487	0.3
187.88301	0.2
194.75905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1429
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03928	1.5
54.03455	0.8
55.01871	8.0
55.05263	1.1
55.05505	15.7
56.05029	1.4
56.96561	6.0
57.03425	4.6
57.07073	8.4
59.04981	3.2
59.06082	0.8
65.03918	3.0
67.02998	0.8
67.05499	28.9
68.05013	1.5
68.99763	1.3
69.03421	6.4
69.04530	0.8
69.07060	20.7
69.53522	0.8
70.42288	2.3
71.04978	3.2
71.08626	5.8
73.02907	1.0
77.03966	0.8
77.77628	0.8
79.05483	10.1
81.03423	0.9
81.04507	1.0
81.06570	1.4
81.07048	25.5
83.04974	39.7
83.06051	1.4
83.08606	8.3
85.02887	1.4
85.06532	5.7
87.50832	1.0
91.05473	21.2
92.04864	0.7
93.07035	21.7
95.04961	15.7
95.06061	3.6
95.08597	100.0
96.08903	1.8
97.06491	1.7
97.07639	0.9
97.10162	3.2
98.97565	0.9
103.05430	1.7
105.03367	2.4
105.07015	25.7
106.06538	0.8
107.04967	1.6
107.08586	37.2
108.04451	2.1
108.05655	1.6
109.02813	1.4
109.06509	23.3
109.07637	1.4
109.10143	41.8
110.07168	1.5
111.08053	1.8
112.29509	0.9
114.68710	0.7
115.05476	1.5
117.07013	2.3
117.18286	0.7
119.01831	1.5
119.04928	14.2
119.08567	28.6
120.05585	1.9
121.06461	4.5
121.10130	28.4
122.07182	1.5
123.04435	5.9
123.08059	43.1
123.11699	6.7
124.08268	0.9
124.08917	0.8
126.02565	1.0
128.06178	0.9
131.08513	1.0
133.02820	3.4
133.06508	5.2
133.10114	28.3
134.06023	0.9
134.06984	1.3
135.03098	1.3
135.04391	0.8
135.08041	2.1
135.11676	27.7
135.55354	1.0
136.05148	1.6
136.08757	2.1
137.05980	4.2
137.08220	6.1
137.09590	20.4
137.13223	5.1
137.53319	1.5
138.06564	1.8
138.10049	0.7
143.08557	1.4
146.03571	1.6
146.53830	1.2
147.03209	1.3
147.04395	20.8
149.02354	1.9
149.82860	0.8
150.10338	0.9
151.03885	2.3
151.07481	2.1
151.11159	3.9
151.14804	44.7
152.07031	1.0
152.08151	2.1
152.15137	1.6
155.03340	0.8
161.05966	7.8
161.08223	1.3
161.09586	10.2
161.13243	23.7
162.09119	2.8
179.03381	32.5
179.06927	11.0
179.09071	9.2
179.10660	27.4
179.14285	94.6
180.08749	1.2
180.10066	6.8
180.14641	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
50.96439	0.4
51.02368	0.4
53.00288	0.6
53.03932	1.1
55.01861	5.5
55.05477	0.5
56.96336	0.5
56.96554	6.1
57.03425	3.1
57.66796	0.4
59.04976	0.7
59.28072	0.4
65.03932	7.3
67.05490	4.3
68.99766	1.3
69.03403	1.4
69.07055	0.9
70.80476	1.6
70.88647	0.4
73.02915	0.6
77.03875	0.5
79.05481	6.0
79.93725	0.5
80.06255	2.2
81.03400	1.4
81.07039	5.2
83.04961	0.9
83.08598	0.6
85.02895	1.3
87.76772	0.5
90.04696	0.5
91.05470	100.0
91.08956	0.5
92.05786	1.9
93.03401	1.1
93.07034	4.3
94.04151	0.6
95.04955	5.6
95.08602	3.5
97.06514	0.8
97.67780	0.5
97.99177	0.7
103.05448	3.7
105.03354	1.0
105.07011	10.4
105.07674	0.8
107.04964	2.0
107.08580	2.3
108.05711	4.7
109.02859	1.3
109.06534	3.4
109.10155	1.9
110.01276	0.5
110.97611	0.5
111.04454	0.7
115.05434	1.2
116.00198	0.8
116.98639	0.6
117.02030	0.5
117.06993	0.5
118.04169	4.8
119.04927	91.0
119.08559	2.6
120.05267	1.4
121.02905	0.5
121.06496	3.7
121.10109	1.1
123.04391	4.3
123.08044	10.0
123.11693	1.0
128.52852	0.6
130.52597	1.1
131.04910	0.9
133.02872	1.1
133.06476	7.9
133.07426	0.6
133.10124	3.7
134.03648	0.8
135.03110	0.6
135.04385	1.2
135.11702	1.3
136.05174	6.0
137.05963	5.0
137.08205	0.5
137.09624	1.1
137.53372	1.0
139.53117	0.9
146.03629	2.0
146.07321	0.6
146.53896	0.8
147.04388	34.5
148.05055	0.7
149.05971	0.6
151.03917	0.8
151.07527	15.6
151.11214	1.5
161.05971	7.5
161.08220	0.4
161.09648	2.1
161.13185	2.5
164.04691	1.2
164.08365	1.6
179.03380	14.7
179.07063	18.2
179.08858	1.8
179.10558	6.8
179.14233	3.1
180.07709	0.8
180.10243	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	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
55.01865	0.5
55.05496	0.4
56.96545	0.6
57.03429	0.3
67.01866	1.1
67.05482	0.6
68.99773	2.6
69.03408	0.2
69.07047	0.2
70.41402	0.8
71.01344	0.5
73.02910	0.3
79.05495	0.3
81.03413	0.6
81.07046	1.4
83.05012	0.2
85.02882	0.2
91.01833	0.3
91.05479	1.5
93.07039	0.8
95.01283	0.2
95.04945	0.8
95.06064	0.3
95.08608	1.7
98.36507	0.2
105.03385	0.6
105.07036	1.0
107.08574	0.6
109.02858	0.3
109.06496	0.5
109.10158	1.1
110.01328	0.2
111.04427	1.9
116.98620	0.2
119.04935	1.5
119.08558	0.8
121.06509	0.2
121.10139	0.6
123.04403	0.8
123.08015	0.4
123.11675	0.3
127.03873	0.6
130.52586	0.3
131.25052	0.2
133.02827	1.3
133.06464	0.4
133.10107	1.2
135.04358	0.2
135.11740	0.3
137.02312	1.0
137.05927	0.3
137.08200	0.8
137.09506	0.3
137.13293	0.2
141.53856	0.2
147.04417	2.4
151.03873	0.5
151.07547	0.4
151.11107	0.3
155.03387	1.7
157.74513	0.2
161.02332	0.8
161.05959	0.7
161.09592	0.4
161.13246	0.7
179.03378	100.0
179.10548	1.5
179.14262	1.4
179.17886	0.2
180.03725	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	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.03921	0.1
53.59336	0.1
54.06283	0.1
55.01855	0.2
56.96532	0.1
65.03920	0.3
67.01850	0.7
68.99429	0.2
68.99780	3.4
69.20320	0.1
70.87157	0.4
71.01331	0.5
76.72166	0.1
81.03417	0.6
83.04951	0.1
88.59404	0.1
91.01821	0.4
91.05447	0.3
95.01292	0.2
95.04935	0.4
99.13803	0.1
105.03371	0.4
105.07030	0.2
109.02860	0.5
111.00734	0.1
111.04420	2.7
119.04939	0.2
123.04425	0.7
127.03892	0.6
133.02838	1.2
133.10078	0.2
137.02312	1.1
147.04399	0.3
151.03885	0.4
155.03375	1.6
161.02322	0.7
161.05991	0.2
175.62306	0.1
178.79872	0.1
179.03371	100.0
180.03687	1.8
183.61723	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03933	1.1
55.05265	0.8
55.05510	13.0
57.07056	1.0
63.49701	0.6
65.03955	0.9
66.06267	0.8
67.05501	6.4
68.65909	0.7
69.07065	21.7
69.61835	6.4
79.05486	26.1
81.07054	72.0
82.07387	1.1
82.09411	0.7
83.08618	10.0
85.42464	0.8
91.05481	5.8
93.07040	36.1
95.04964	0.8
95.08604	52.8
96.08942	0.8
96.11536	0.7
97.10166	6.0
100.78123	0.7
105.03837	0.9
105.07050	5.1
107.08591	100.0
108.08929	1.4
109.06498	2.8
109.10149	15.5
119.06091	1.0
119.08506	1.3
121.10138	74.7
121.89407	0.7
122.10487	1.5
135.11700	12.1
149.13234	5.2
159.85652	0.9
163.06361	1.0
177.16380	69.2
178.08627	0.9
178.16739	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	178.1224
Annotation	Valerianine
Peak:m/z	Relative Intensity
50.93049	0.3
54.03428	0.5
55.01880	1.6
55.05489	0.6
56.05006	0.7
56.96556	5.1
57.03404	1.3
59.06105	0.5
60.04502	0.3
65.03931	0.4
67.05477	0.8
68.02627	0.6
68.04994	0.6
69.03428	0.7
70.06573	0.3
70.43821	1.3
73.02883	0.5
79.05461	1.0
80.04984	0.4
81.03398	1.6
81.04522	0.4
81.07037	0.4
82.03728	0.5
82.05323	0.3
82.86052	0.3
83.06100	0.5
84.04462	0.3
85.02890	1.1
87.04456	0.5
88.02193	1.0
91.05476	2.3
92.04973	0.5
93.05738	0.6
93.07003	0.6
94.06524	0.9
95.04935	1.1
95.06083	1.5
95.08592	0.5
95.52256	0.3
96.04453	0.6
97.96765	0.5
97.99198	0.5
98.07170	0.6
98.97556	1.4
99.04411	0.5
100.05209	0.4
101.00737	0.4
104.04961	0.9
105.02037	0.6
105.07035	1.8
106.06536	0.5
107.08565	0.5
108.04425	0.5
109.02856	1.5
109.06526	0.3
110.01262	1.1
110.07104	0.6
115.05505	0.4
115.97812	0.6
116.00191	0.9
116.52811	0.4
116.98630	1.2
117.02035	0.9
117.06998	0.8
118.06530	5.1
118.96727	0.7
119.01787	1.0
119.04942	2.1
119.07309	6.4
121.06418	0.4
121.52016	0.8
122.05972	0.6
122.06978	0.3
123.04434	0.5
126.02552	2.2
128.02235	0.4
128.52774	0.7
128.98575	0.9
130.06516	0.4
130.52559	2.6
131.00153	0.5
132.04424	1.8
132.08084	1.1
133.02827	0.9
133.06468	0.8
133.10130	0.9
133.98901	0.5
134.09636	46.9
134.99622	0.7
135.05673	0.4
135.06750	1.0
135.09935	0.7
136.03990	0.4
136.05113	0.5
136.07549	0.4
136.08641	0.4
137.05952	0.7
137.08188	1.6
137.53345	1.3
139.53078	0.9
146.03293	0.5
146.05978	0.6
146.53838	1.6
146.99663	0.7
147.04355	3.1
150.05496	3.8
150.09161	0.5
151.03903	0.5
151.07491	0.4
151.09863	0.4
151.11172	0.4
154.94272	0.5
155.99670	0.4
157.00464	0.4
160.03957	1.2
160.07623	0.6
160.11237	1.3
161.05966	1.0
161.08177	0.4
161.09517	0.4
161.10796	0.4
162.09157	1.4
163.06270	8.9
163.07578	0.7
163.09898	0.9
172.95232	1.6
174.00771	1.2
178.04971	6.2
178.08641	24.1
178.12242	100.0
179.03366	3.4
179.06943	1.4
179.09306	1.6
179.10645	1.0
179.12596	2.5
190.96324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13791	2.0
53.03923	2.3
55.05512	11.3
58.39390	1.8
59.77593	1.8
62.19238	1.9
62.43868	1.7
67.05501	7.9
69.07064	27.9
69.39642	7.0
69.40071	13.5
79.05036	3.2
79.05480	24.4
81.07052	100.0
83.08605	8.8
91.05460	9.3
93.07041	33.1
95.08604	43.5
97.10163	3.7
98.21504	4.6
98.98446	3.5
105.07018	7.1
107.08590	80.0
109.06495	2.2
109.10146	15.1
119.08503	2.6
121.10136	72.1
121.11034	3.9
131.08485	2.5
133.10143	3.4
135.08115	2.5
135.11696	11.6
137.09561	2.1
149.02316	4.7
149.05949	2.4
149.13231	5.2
163.06291	7.3
177.05495	3.0
177.07414	9.4
177.09007	3.9
177.12750	4.8
177.16376	89.0
178.08621	20.2
178.16714	2.4
187.87741	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02371	0.2
53.03936	0.5
54.17903	0.2
55.01865	0.5
55.05506	0.4
56.05025	0.3
56.96558	0.5
59.06095	0.2
62.01612	0.2
63.02345	1.1
65.03938	0.5
67.05500	0.5
68.99781	0.2
69.03419	0.5
69.07058	0.5
70.75057	0.4
71.04987	0.4
71.77947	0.2
72.08169	0.3
77.03925	0.2
78.04697	2.3
79.05482	1.3
81.03404	0.4
81.04523	0.2
81.07062	1.3
82.06563	0.2
83.04976	0.2
83.08641	0.3
85.02872	0.2
85.06511	0.3
87.05586	0.9
88.02216	0.3
89.03909	36.0
90.04245	0.7
91.05482	4.5
93.07038	2.1
95.04962	1.7
95.06108	0.4
95.08601	1.0
97.07648	0.3
98.97599	0.6
98.98453	1.9
103.05481	1.7
105.03378	0.5
105.04476	0.3
105.07003	1.4
106.04168	2.8
107.04925	0.8
107.08596	1.5
109.06446	0.3
115.05417	0.2
116.98609	0.7
117.03371	68.2
117.07000	0.8
118.03690	1.9
119.04942	0.8
119.08564	0.9
121.02847	0.6
121.06512	1.7
121.10113	2.3
123.08065	0.2
124.05194	1.3
129.04451	0.2
130.06476	0.2
131.04912	0.6
131.06898	0.4
131.08554	1.7
133.06496	0.4
133.10139	0.5
134.03627	7.7
134.99663	1.3
135.04408	6.8
135.06638	0.4
135.08018	0.7
135.09058	0.2
135.11699	0.7
136.05003	0.3
136.08667	0.4
137.09445	0.4
145.02832	100.0
146.03156	2.8
147.04379	0.4
147.08038	0.2
149.02350	2.2
149.05966	24.6
149.09616	0.7
149.13281	0.4
150.06348	0.6
153.00725	0.3
158.05991	1.3
159.04393	0.5
159.06451	0.2
159.07993	0.5
159.11659	1.0
162.03104	1.2
162.05092	1.1
163.03922	2.3
163.06238	1.4
165.34074	0.2
176.10641	0.5
177.05460	39.0
177.07362	4.6
177.09035	2.0
177.11305	1.0
177.12735	2.9
177.16498	1.1
178.04633	0.2
178.05836	1.0
178.08618	4.3
178.10878	0.4
186.05487	5.6
187.05785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03945	0.4
59.16510	0.2
62.01593	0.4
63.02073	0.4
63.02340	1.2
65.03979	0.2
70.41775	0.4
78.04710	2.2
79.05480	0.6
85.10196	0.2
89.03911	39.4
90.04258	0.8
91.05473	2.4
93.07047	0.7
95.04967	1.2
103.05476	1.7
103.66639	0.2
105.03423	0.4
106.04173	3.2
117.03373	73.9
118.03693	1.3
119.04955	0.6
121.06499	0.6
124.05186	1.4
129.04478	0.4
131.04910	0.4
134.02606	0.4
134.03625	7.6
135.04411	5.4
145.02835	100.0
146.03171	2.6
149.05972	24.0
150.06390	0.6
158.06017	0.7
162.03120	0.8
163.03922	1.2
165.01630	0.2
165.91284	0.3
177.05458	31.6
178.05750	0.9
186.05504	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02369	0.2
51.45650	0.2
53.00304	0.2
53.03938	0.4
54.44436	0.2
55.01865	0.5
55.05503	0.3
56.80782	0.2
56.96267	0.2
56.96548	0.5
59.04966	0.2
59.06115	0.7
62.01586	0.3
63.02346	1.1
65.03931	0.4
67.05488	0.3
69.03431	0.3
69.07049	0.4
70.74825	0.5
72.08156	0.3
73.44799	0.2
75.04461	0.2
78.04711	2.3
79.05491	1.0
81.03405	0.7
81.04496	0.2
81.07072	0.4
83.06085	0.3
85.02900	0.3
87.05580	1.1
88.02221	0.3
89.03907	35.2
90.04251	0.7
91.05473	3.6
93.07038	1.5
95.04970	1.4
95.06081	0.3
95.08603	0.8
95.73690	0.2
95.97261	0.2
98.97569	1.5
98.98444	1.8
101.07142	0.2
103.05472	1.5
105.03359	0.4
105.07032	0.8
106.04172	2.4
107.04976	0.6
107.08574	0.8
109.10103	0.2
116.98618	2.2
117.03365	67.2
117.06989	0.5
118.03654	1.4
119.04946	0.7
119.08588	0.5
120.05568	0.2
121.02876	0.4
121.06477	1.6
121.10133	1.1
122.07128	0.3
124.05197	1.3
129.04478	0.3
131.04903	0.7
131.05870	0.2
131.06862	0.3
131.08563	1.1
133.10156	0.4
134.03630	7.4
134.07091	0.2
134.99643	3.3
135.04410	5.5
135.08043	0.4
135.11691	0.5
137.09486	0.3
145.02827	100.0
146.03149	2.8
147.04445	0.6
149.02325	1.8
149.05963	22.8
149.13184	0.3
149.46027	0.2
150.06413	0.6
150.10240	0.2
152.96881	0.2
153.00696	0.7
158.06010	1.0
159.04414	0.4
159.08072	0.6
159.11685	0.5
160.07489	0.3
162.03151	1.0
162.05150	0.7
163.03906	1.7
163.06255	0.8
177.05455	34.4
177.07349	3.2
177.09001	1.2
177.11397	0.5
177.12737	1.1
177.16357	0.7
178.04887	0.5
178.06042	0.5
178.08598	2.7
186.05479	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	176.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01881	0.7
55.05505	2.3
55.55554	0.5
56.05033	5.2
56.96556	5.6
57.03424	2.5
58.06592	0.8
59.04989	0.9
59.06108	2.9
60.04539	1.1
60.05650	0.5
61.02894	0.6
63.44673	0.5
65.03947	0.6
67.05493	1.3
68.05016	0.7
69.03429	3.3
69.07065	1.5
70.06202	0.6
70.06584	10.3
70.85390	1.4
71.04984	5.0
71.06908	1.1
72.08146	1.9
73.02913	1.6
73.06537	1.3
74.06077	14.1
75.04477	0.8
75.05595	0.8
79.05458	0.9
81.03411	9.9
82.06567	0.6
84.04488	1.4
84.08125	5.3
85.02905	4.0
85.06544	1.1
86.06080	0.7
86.09684	1.3
87.04457	3.0
87.05581	1.1
88.03993	0.8
88.07625	7.2
89.03904	2.0
90.05552	0.7
91.05470	1.3
93.07034	1.1
94.06562	1.0
95.08552	0.6
97.02860	2.0
97.06507	0.7
98.01328	0.5
98.06026	3.3
98.97574	10.7
98.98456	1.8
99.04436	1.9
102.05482	0.6
103.18558	0.5
105.06993	0.6
107.08589	0.8
109.02858	2.7
112.07619	1.0
112.11260	2.7
113.06016	1.0
114.05535	0.7
114.09152	0.6
116.07083	2.4
116.97204	2.2
116.98602	15.6
117.03355	4.0
120.04474	0.7
120.08100	1.5
121.06478	1.0
127.03903	1.5
128.98689	0.7
130.04987	0.8
130.06502	2.4
130.08607	3.7
130.12267	100.0
131.01891	1.0
131.04962	0.7
131.06898	2.0
131.08551	0.8
131.12617	2.7
132.04469	1.5
133.05290	4.2
134.08072	1.1
134.99646	14.7
135.04376	0.7
136.06239	0.6
140.00180	0.7
145.02823	7.3
147.04404	1.3
148.03929	1.0
148.07506	1.4
149.02361	1.7
149.05925	1.9
149.07034	0.7
153.00694	4.0
155.04614	2.1
158.01247	1.5
158.06027	0.8
158.08032	1.3
158.11711	1.0
158.12854	1.4
158.99614	0.9
159.06325	2.1
159.07562	0.6
161.04709	15.0
162.03143	0.7
162.99013	0.7
164.05226	0.9
166.63786	1.1
167.13011	0.9
175.62900	0.8
175.64406	1.4
175.98454	1.2
176.07056	57.9
176.10445	1.4
176.12825	9.4
177.00679	1.0
177.05321	3.6
177.06456	1.1
177.07576	1.5
177.09016	1.3
177.12691	1.3
192.13171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0705
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
56.96549	1.2
58.06585	0.4
59.06127	2.4
60.04515	0.8
66.44297	0.3
70.06575	0.5
70.21827	0.8
70.22221	1.0
72.08160	0.7
75.05589	0.7
81.03400	0.9
85.02904	0.7
87.05563	1.5
89.03906	0.7
91.05478	0.6
93.07018	0.6
94.06619	0.4
98.21443	0.4
98.97582	4.9
98.98441	1.2
101.07135	0.6
103.05447	3.8
105.07054	0.5
105.16147	0.4
106.07383	0.4
116.97211	1.7
116.98612	5.4
117.03358	0.8
117.06557	0.5
118.06548	0.5
120.04459	0.6
120.08087	1.3
120.08849	0.5
121.06509	0.6
127.61198	0.4
130.06514	100.0
131.04933	0.5
131.06009	0.8
131.06866	7.8
131.08429	0.6
131.99443	0.5
132.04439	3.2
133.05112	3.9
134.06041	2.2
134.99646	7.4
140.00247	0.4
145.02818	1.7
146.05998	1.0
147.06409	0.6
148.03868	0.5
148.07541	3.3
148.09465	0.5
149.02325	0.7
149.06004	0.7
149.07936	0.6
152.96968	0.6
153.00691	2.0
158.01224	0.9
158.06018	4.9
158.07993	2.8
159.06355	8.3
160.07536	0.9
161.04704	14.5
162.05023	0.5
165.10806	0.4
175.98500	0.5
176.07059	59.0
176.08882	3.3
176.14120	0.6
177.05396	0.9
177.07570	2.0
177.08882	0.5
183.17563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.16772	0.6
53.03940	0.7
54.25134	0.6
55.05502	4.7
57.07045	0.8
58.43112	0.6
65.03937	0.5
67.05496	1.5
69.07063	16.6
69.33718	6.3
79.01846	0.5
79.05473	1.2
81.02328	0.6
81.07055	4.8
83.08614	4.0
91.05473	7.8
93.07003	2.6
95.08579	5.3
98.98451	1.9
101.48927	0.5
103.05466	0.7
105.07024	18.0
107.08595	4.5
115.05434	0.8
115.16238	0.5
117.07041	1.4
118.07792	0.6
119.04939	1.6
119.08575	65.8
120.08894	1.3
121.10152	1.7
125.18388	0.6
125.41508	0.5
129.07021	1.4
131.08556	3.8
133.10124	54.8
134.10489	1.6
145.10130	4.7
146.10889	1.2
147.04424	1.0
147.11694	8.2
157.10126	1.0
160.05310	0.8
160.12447	3.0
161.04684	1.0
173.13223	2.2
175.07613	2.8
175.14815	100.0
176.07050	4.4
176.15199	3.7
186.38100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89609	1.2
57.67751	1.2
69.50794	7.8
70.06573	2.0
74.21546	1.2
81.03393	2.1
87.04430	2.4
98.06010	2.5
102.91872	1.1
109.03822	1.1
114.70097	1.1
116.07069	3.1
132.02104	100.0
136.23157	1.2
176.01082	26.9
176.07066	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	176.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.05005	0.8
56.96561	9.7
58.99825	0.6
59.06092	2.1
60.04509	0.7
65.03905	0.7
67.05499	0.8
70.96199	2.1
71.95248	1.0
72.08148	0.9
74.47446	0.6
75.94598	0.6
77.00881	2.0
79.05429	1.2
81.07027	0.9
82.99813	0.7
85.07660	1.0
87.05573	1.2
89.51567	0.8
91.05468	1.9
95.01937	1.0
98.00900	1.4
98.97577	38.9
98.98308	1.3
100.02502	3.5
101.00861	2.3
103.02407	0.8
105.06995	1.3
113.00798	1.0
116.01926	9.4
116.97215	3.0
116.98615	57.0
117.03962	1.1
118.03518	13.7
119.01914	26.5
119.03644	1.2
119.08506	0.9
120.02015	3.6
120.03258	0.9
121.01666	4.1
121.33443	0.7
122.03601	1.0
127.70016	0.8
128.97713	1.0
129.49498	0.8
130.03481	1.4
130.06465	1.7
131.01889	8.9
131.08601	0.9
131.99684	0.9
133.03415	1.9
133.05197	2.4
134.02974	100.0
134.04712	2.8
134.99649	78.0
135.05026	0.8
136.04517	4.4
137.01956	1.0
137.02968	14.3
137.03983	1.3
138.03079	1.9
138.49857	1.2
138.99953	0.7
139.02617	1.7
139.03581	0.9
140.00169	2.7
142.03476	2.0
145.06796	5.0
148.07474	0.8
149.02974	2.2
150.00677	2.6
151.00539	0.8
152.02225	1.2
152.03995	23.0
152.05917	2.7
152.96904	1.3
153.00700	22.5
153.04109	1.4
154.03471	4.7
154.07343	5.9
157.04559	4.4
158.01247	7.6
158.02988	10.9
158.04861	0.9
160.04553	1.1
161.04741	9.0
163.07855	1.4
164.04663	0.7
171.01385	6.1
172.04562	1.4
175.60945	0.7
175.98587	1.1
176.02333	4.1
176.04092	29.7
176.05858	3.1
176.07091	28.8
176.10361	1.1
176.78496	0.9
177.00923	2.5
177.04169	2.7
177.05522	1.0
181.02919	0.8
185.03058	0.9
189.02478	2.5
194.03421	1.2
194.05141	7.2
194.06950	2.0
199.04073	0.7
199.05681	2.7
199.07361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.6
57.07057	0.5
60.77384	0.5
66.79400	0.5
67.05502	1.6
68.14350	0.5
69.07063	19.6
69.83976	3.1
79.05489	2.3
81.07054	4.7
83.08608	4.3
83.86296	0.5
91.05473	7.6
93.07022	3.6
95.08604	5.5
98.98466	1.0
103.05476	0.6
104.06278	0.7
105.07023	20.0
107.08583	4.2
109.78120	0.6
115.05466	0.8
117.07007	2.4
119.08573	73.7
120.08951	1.8
121.10134	2.2
131.08554	3.0
131.31927	0.5
133.10118	63.8
134.10468	2.4
145.10104	4.5
147.11684	9.5
160.12462	2.5
173.13269	2.1
175.14812	100.0
176.07083	0.8
176.15218	3.2
188.86343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03948	0.7
55.05510	6.3
57.07072	1.5
57.07336	0.5
58.58102	0.5
65.28525	0.5
67.05505	2.1
69.07066	20.3
69.83520	3.5
73.28102	0.5
79.05476	1.6
81.07058	4.4
83.08618	4.9
91.05476	7.2
91.48345	0.5
93.07043	2.7
95.08607	3.7
98.20805	0.9
98.98483	0.8
105.07024	22.0
107.08575	3.9
117.07045	3.4
119.08576	75.0
120.08914	2.1
121.10127	2.4
122.22543	0.5
131.08575	3.2
133.10123	65.6
134.10503	1.5
135.11716	0.6
145.10112	5.7
146.10831	1.3
147.11678	9.9
158.10927	0.5
159.11743	0.7
160.12444	3.1
163.27594	0.5
173.13280	1.3
175.07536	1.2
175.14818	100.0
176.07065	0.7
176.15175	5.4
178.53668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.27177	0.4
55.05509	6.3
57.03436	0.6
57.07064	1.1
65.03929	0.5
67.05491	1.8
68.82435	0.3
69.03426	0.5
69.07063	19.2
70.06583	0.6
70.07393	0.5
70.69023	1.3
79.05485	1.4
81.07043	4.4
83.08614	5.0
84.08126	1.6
85.02888	0.8
87.49101	0.4
91.05481	8.4
92.05843	0.4
93.07054	3.0
95.04955	0.4
95.08610	4.4
97.02871	0.9
98.09698	0.5
98.98464	3.9
103.05441	0.6
104.06242	0.4
105.07024	20.5
106.07330	0.4
107.08589	4.4
108.06850	0.4
109.10151	0.6
115.03970	0.4
115.05428	0.5
116.95499	0.4
117.07010	1.7
119.08573	74.6
120.08938	1.4
121.10104	2.2
128.06207	0.6
128.55362	0.3
129.06999	1.4
130.06500	1.1
131.08562	3.6
132.95850	0.4
133.10121	63.6
134.10431	1.9
135.11641	0.5
145.09039	0.5
145.10118	5.0
146.10883	1.0
147.04358	0.6
147.08031	1.0
147.11673	9.6
157.10101	0.9
160.05159	0.5
160.12460	2.9
161.04727	0.8
165.63120	0.4
173.13223	2.4
175.03839	0.5
175.07581	1.4
175.14812	100.0
176.07069	4.1
176.15182	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
54.90604	0.6
55.05504	6.2
56.96571	0.7
57.07055	1.5
67.05482	2.0
69.07059	18.2
70.06577	0.9
70.80480	1.7
76.31940	0.5
79.03704	0.5
79.05473	1.8
81.07053	7.2
83.08607	3.6
88.28402	0.6
91.05470	9.7
93.07050	3.5
95.04985	0.6
95.08589	6.6
97.02888	0.8
98.98454	4.6
103.05412	0.8
105.07019	25.1
107.07964	0.6
107.08586	4.7
115.05426	1.4
116.07114	0.7
117.07017	3.6
119.08567	75.9
120.08919	2.0
121.06464	0.8
121.10109	1.9
128.06198	0.7
129.06995	3.0
130.06516	5.6
130.09760	0.6
131.08580	3.6
132.04453	1.1
133.02820	1.0
133.05215	1.7
133.10118	67.1
134.10417	1.1
135.11681	0.7
142.07739	0.7
145.06467	0.7
145.10112	5.6
146.10921	1.2
147.04445	2.0
147.08034	1.6
147.11685	9.5
148.07484	1.1
157.10069	0.9
158.05975	1.8
158.10909	0.7
159.11642	0.9
160.05186	1.0
160.12486	3.8
161.04692	6.1
173.13216	1.7
175.03842	0.9
175.07544	3.9
175.11220	2.9
175.14806	100.0
176.07056	20.3
176.15245	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.05506	7.8
57.07072	0.7
60.75442	0.4
61.08005	0.3
67.05492	1.6
69.07063	18.2
70.06554	0.4
71.06340	1.2
72.07098	0.3
79.05486	2.0
81.07047	5.2
83.08615	3.2
87.04471	0.5
91.05470	7.9
93.07034	3.0
95.08601	5.4
98.20863	0.4
98.98457	4.0
100.88015	0.3
103.05444	0.8
103.95929	0.3
105.07021	21.4
106.07327	0.5
107.08590	5.0
115.05426	0.6
117.06994	2.3
118.07787	0.5
119.08570	71.4
120.08910	1.2
121.06560	0.5
121.10101	2.3
128.06238	0.5
129.06978	1.3
130.06511	1.7
131.08571	4.0
133.10118	60.0
134.10489	1.5
135.11655	0.6
141.05740	0.8
145.10094	5.0
146.10857	1.1
147.04436	0.9
147.08002	1.0
147.11678	10.6
150.06126	0.5
152.56413	0.6
157.10130	1.0
158.05983	0.6
158.10916	0.6
159.11572	0.5
160.05174	0.4
160.12497	2.8
161.04747	1.0
164.34164	0.4
173.13252	1.6
175.07516	2.1
175.14812	100.0
175.94154	0.4
176.07056	5.0
176.15173	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	175.1191
Annotation	Arginine
Peak:m/z	Relative Intensity
56.96558	1.1
60.05643	40.7
66.78000	0.2
68.05007	0.4
69.92406	1.0
69.92814	0.4
70.06586	100.0
71.04983	1.2
71.06920	1.1
72.08148	5.1
74.97594	0.5
84.08144	3.4
85.53332	0.3
88.07623	0.5
97.07659	0.8
98.06059	0.8
98.97610	0.5
98.98457	0.3
103.02499	0.3
112.08729	4.5
113.07159	0.5
114.10291	0.8
114.27265	0.3
115.08665	0.8
116.07085	32.2
116.98629	0.7
119.01884	0.6
120.02001	0.3
120.80636	0.3
121.03460	0.4
130.08658	1.5
130.09743	14.6
130.12253	0.4
131.03622	0.5
132.02098	0.7
133.01608	0.3
133.03392	0.3
133.05136	0.3
134.99602	0.9
146.03607	0.4
150.99153	0.3
157.10919	1.7
158.09239	10.6
161.04668	0.3
175.04776	0.4
175.06216	2.0
175.11893	35.9
176.05801	0.7
176.07176	0.3
176.12254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	L-arginine
Peak:m/z	Relative Intensity
55.01865	0.5
55.05503	1.0
56.05033	0.3
56.96563	6.6
57.03426	2.0
58.06599	2.9
60.04518	0.5
60.05645	33.1
60.95850	0.6
61.02927	0.9
68.05043	0.4
69.03419	1.6
69.07075	0.5
69.49634	0.7
69.50040	1.7
70.06589	100.0
71.01350	0.4
71.04993	3.1
71.06921	1.7
72.04513	0.5
72.07745	0.5
72.08151	8.2
73.02917	1.7
74.02457	0.3
74.06060	0.7
74.97608	0.6
75.04488	0.4
81.03419	1.7
82.03790	0.4
83.04992	0.3
84.01573	0.4
84.04491	0.4
84.08135	3.4
85.02890	2.9
85.06542	0.4
85.08473	0.3
86.03685	0.8
86.09692	2.6
87.04475	3.0
88.07622	1.0
90.05553	0.7
91.02361	0.4
91.05450	0.4
94.06569	0.6
96.01569	0.3
97.02864	2.4
97.07681	0.7
97.99192	0.5
98.01347	0.5
98.02180	0.3
98.06053	4.7
98.97585	3.5
98.98455	0.8
99.04441	0.6
100.05227	0.6
100.07632	0.4
101.00877	1.3
101.01540	0.3
101.02409	0.5
102.00980	0.3
102.05521	0.4
102.96842	0.3
103.02444	1.3
103.03139	0.4
104.04013	0.3
105.02051	0.5
105.07081	0.4
109.02913	0.9
110.97620	0.4
111.04683	0.3
111.10009	0.8
111.53658	0.6
112.07603	10.5
112.08730	3.7
113.07082	0.5
114.05524	0.4
114.09161	2.6
114.10299	0.9
115.08712	1.3
115.97812	0.4
116.00263	0.3
116.07086	32.0
116.98615	2.9
117.02080	0.4
117.07449	0.4
118.01067	0.6
118.03667	0.4
118.08678	0.4
119.01908	8.2
119.08553	0.5
120.02000	0.6
121.01614	0.4
121.03439	0.8
123.20770	0.3
126.02540	0.5
126.52721	0.5
127.01509	0.3
127.03950	0.5
128.02258	0.7
128.10655	0.3
128.98651	0.9
129.06912	0.3
129.10349	1.7
129.11038	2.1
130.01877	0.3
130.03625	0.6
130.05035	0.3
130.06522	1.3
130.08661	2.2
130.09746	13.5
130.12311	1.2
131.00208	0.4
131.01852	0.3
131.02690	0.3
132.02101	9.6
132.04448	1.3
133.01633	0.6
133.03462	3.8
133.05164	0.6
134.08163	0.5
134.99640	2.5
136.02217	0.3
137.02948	2.6
137.04419	0.5
138.98900	0.3
140.07100	0.8
142.03458	0.3
143.01892	0.6
145.01677	0.4
145.03455	1.4
146.03633	0.3
146.04980	0.7
146.99649	1.0
149.01208	0.6
150.01810	0.4
151.04527	1.3
153.00630	0.5
154.02049	0.5
154.04796	0.4
157.03448	0.4
157.10867	1.6
158.01241	0.4
158.06009	1.9
158.08081	1.6
158.09267	8.4
158.11801	0.4
161.01257	0.4
161.02968	1.2
161.04709	1.0
163.02766	0.9
163.04430	2.2
165.63098	1.3
168.44193	0.3
174.03697	0.9
174.99197	0.7
175.04512	5.0
175.06247	1.8
175.11897	33.2
176.01093	2.6
176.04660	0.5
176.07045	2.6
176.09059	2.2
176.10394	0.8
176.12633	1.0
177.00766	0.4
179.04079	0.4
181.03894	0.5
181.05525	0.6
185.02913	0.3
186.05954	0.3
187.04550	0.3
193.00214	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	175.0865
Annotation	(Indol-3-yl)acetamide
Peak:m/z	Relative Intensity
50.46830	0.3
55.01855	0.3
55.05489	0.5
56.05014	0.4
56.96543	1.1
57.03411	0.6
57.92617	0.3
58.02942	0.3
58.06588	0.4
59.06109	0.8
60.04517	0.5
60.05635	0.6
65.03926	0.6
67.05487	0.3
69.03422	0.6
69.07043	1.1
70.06587	1.6
71.61106	0.3
72.04488	0.5
72.08138	0.8
72.93763	0.6
73.02897	0.3
77.03905	0.4
79.05500	0.6
80.05011	1.7
81.04520	0.3
81.07037	0.9
82.02938	2.5
82.05322	0.3
83.04972	0.5
83.06084	0.3
83.08605	0.3
84.04498	0.4
84.08105	0.5
85.02902	1.3
85.06541	0.3
86.06058	0.5
87.04440	0.7
90.94807	0.4
91.05467	4.1
93.07036	0.7
94.06556	3.5
95.04945	0.5
95.08586	0.6
97.02881	1.2
98.03661	0.3
98.06043	0.3
98.97581	0.8
98.98457	9.3
99.04453	0.3
99.05574	0.4
99.34084	0.3
100.03966	0.4
103.05453	3.1
104.04982	1.9
105.06377	0.4
105.07028	5.6
107.04914	0.3
107.08578	0.6
108.04456	1.5
111.04412	0.6
111.05579	0.4
112.07570	0.3
113.96378	0.3
114.05499	0.3
115.03947	0.3
115.05437	1.4
116.06267	0.3
116.07090	0.5
116.97196	0.8
116.98598	1.5
116.99384	0.5
117.05733	0.7
117.07041	0.4
118.03583	0.3
118.06568	2.0
119.06881	0.6
119.08566	4.3
120.04504	0.6
120.08093	1.3
121.06519	1.2
127.03896	0.4
128.05002	0.3
128.06209	1.3
129.05495	0.3
129.07002	4.5
129.10971	0.3
130.06517	100.0
131.04933	3.4
131.05867	0.5
131.06833	1.8
131.08553	1.8
132.04442	56.3
132.06740	1.0
132.95863	0.5
132.96863	0.3
133.05151	2.3
133.06172	0.7
133.07573	0.5
133.10118	3.3
134.06006	1.0
134.99623	1.8
139.03917	0.5
140.04884	0.5
142.07755	1.5
144.08083	0.3
145.06477	0.5
146.06001	8.8
147.04411	1.0
147.06342	3.5
147.08131	1.9
147.09167	1.9
147.11668	1.2
148.03889	0.5
148.06363	0.4
148.07559	7.7
148.08676	0.6
150.96883	1.6
151.97058	1.2
152.96935	0.6
153.00682	0.5
156.06841	1.0
157.07605	31.0
157.10141	1.6
158.06000	80.5
159.06361	2.1
160.08821	0.3
161.04700	5.0
174.98683	0.3
175.05992	2.2
175.08682	36.6
175.11185	2.9
175.14767	3.9
175.98563	0.7
176.07065	21.2
176.08908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01873	3.5
55.05507	7.7
56.05033	8.6
56.05817	0.9
56.96562	32.7
57.03430	6.5
57.04550	2.3
57.07056	1.7
58.06588	3.2
59.04987	3.1
59.06112	2.7
60.04247	1.0
60.04521	12.9
60.05642	10.0
61.02928	4.0
64.06587	0.8
65.03936	1.2
65.45243	0.7
67.05502	13.5
68.05023	16.0
69.03065	1.3
69.03425	17.3
69.07056	3.1
70.02953	0.9
70.06588	38.7
70.83996	1.9
70.95856	6.7
71.01337	1.2
71.04982	2.9
71.06118	3.3
72.04504	2.7
72.08154	5.5
72.93789	6.9
73.02926	4.1
73.06555	0.8
73.93876	0.7
74.02426	2.2
74.06076	3.8
74.97598	1.7
79.05492	1.8
80.05022	1.0
81.03412	3.5
81.07046	2.1
82.06573	9.8
83.00814	0.9
83.01326	1.3
83.04980	7.0
83.06058	1.4
83.07363	1.0
83.08611	2.4
83.97640	1.7
84.04505	7.0
84.05270	1.6
84.08138	51.8
84.96025	1.2
85.02408	1.4
85.02899	12.9
85.04019	0.8
85.06541	6.9
85.07636	0.9
85.08470	2.2
86.06057	6.9
86.09693	2.8
87.04464	7.7
87.05595	3.5
88.04018	0.9
88.96905	2.6
90.94820	2.3
91.05486	3.5
93.07038	7.9
94.06564	1.9
95.00781	0.9
95.01324	1.4
95.04977	2.2
95.06078	0.9
95.08588	1.6
96.04497	2.4
96.08139	3.7
97.02891	17.0
97.07647	1.2
98.03204	1.2
98.06045	2.7
98.09685	17.8
98.97572	9.3
98.98459	7.0
99.04448	2.5
99.05601	1.4
100.02748	0.9
100.03979	1.9
100.07597	5.4
101.02356	0.8
102.04231	0.9
102.05517	1.8
102.06346	0.9
103.02406	0.8
103.03182	0.7
104.07072	2.1
104.56004	2.0
104.96447	0.6
105.06177	3.9
105.06977	1.6
106.97952	0.7
108.08127	1.0
108.95818	1.2
109.02881	2.7
109.07611	0.9
110.01262	2.2
110.06045	2.9
110.09676	100.0
110.97532	1.0
111.04410	10.5
111.05540	0.7
111.08073	1.9
111.09991	2.0
111.98466	6.4
112.04749	1.8
112.07603	2.9
112.08727	1.8
112.11263	1.4
113.05927	1.0
113.07156	0.7
113.96415	1.4
113.98658	2.7
114.05526	22.8
114.06688	0.9
114.09194	3.4
115.03936	2.9
115.08729	1.1
116.07091	8.9
116.98624	11.3
117.04000	0.8
118.06535	1.9
119.01873	7.4
119.03575	0.7
119.06004	0.9
119.08545	1.3
120.02615	0.8
122.09689	2.0
124.07571	4.7
124.11238	1.2
126.05536	1.2
126.06613	1.6
127.03925	2.1
127.07091	3.3
127.08614	1.3
127.57226	15.0
128.02316	5.0
128.03412	2.7
128.07071	12.2
128.10713	50.3
128.98602	2.6
129.05464	2.2
129.06999	1.7
129.10233	2.4
129.99516	5.2
130.05565	1.6
130.06523	26.6
130.07489	1.6
130.08708	1.2
130.09784	3.5
130.52571	0.8
131.01939	1.4
131.97462	2.0
131.99681	9.7
132.02591	0.9
132.03516	1.2
132.04428	22.3
132.06552	1.9
132.08067	2.1
132.95834	10.7
133.01709	4.1
133.03442	2.5
133.10130	1.3
134.99651	10.8
136.11205	3.5
137.02887	3.4
137.59929	1.4
138.05458	1.3
138.09140	2.4
139.03961	1.4
142.07742	0.9
143.05630	0.8
143.12021	0.9
146.06013	3.1
146.08130	3.1
146.09578	0.8
146.99654	3.0
147.08005	0.8
147.11449	0.8
148.02780	1.4
148.03891	2.0
148.06203	2.1
148.11243	3.9
149.97243	0.7
149.98538	1.0
150.00725	14.2
150.12770	1.1
150.96880	31.4
151.00212	0.9
151.02805	1.8
151.61594	1.4
153.00795	2.3
153.05785	1.9
155.97423	6.2
156.06511	13.4
156.10182	28.3
157.04961	2.7
157.07639	11.9
157.10542	1.0
157.11763	1.2
157.13322	0.9
158.06006	30.9
158.09364	2.7
158.99655	2.8
161.01227	4.3
161.06598	8.7
162.03618	5.4
162.06407	3.1
163.02722	1.0
163.06290	1.0
164.10806	0.8
164.62271	5.4
165.12566	1.0
165.63069	22.2
166.12251	3.2
168.01804	2.2
168.97964	1.6
171.04149	5.3
171.54347	0.8
173.02739	0.8
173.54451	1.2
173.57109	0.9
173.62831	4.5
173.64598	2.7
173.98471	11.6
174.00735	0.9
174.04045	2.8
174.05612	3.5
174.07538	9.3
174.08836	2.3
174.11259	43.4
174.12550	12.3
174.14891	1.4
174.62128	1.4
174.63580	10.1
174.99123	2.0
175.02769	0.9
175.04462	1.6
175.05945	1.5
175.07336	4.6
175.08688	6.6
175.11794	6.9
177.00723	3.8
179.02269	2.8
179.07643	5.7
193.00198	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	174.1124
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
50.43390	0.4
54.11400	0.4
55.01864	1.0
55.05502	2.9
56.05024	1.2
56.73114	0.4
56.96561	14.4
57.03431	5.5
58.06591	1.6
59.04996	3.9
60.04521	3.3
60.05641	10.4
60.99324	0.4
61.02921	1.9
61.04044	0.5
67.05508	1.4
68.05023	2.0
69.03421	4.1
69.07054	0.5
70.03113	2.2
70.06583	77.3
70.98096	0.9
71.01335	0.7
71.04981	3.3
71.06102	0.7
71.06921	0.6
72.04501	1.1
72.08147	3.3
73.02907	2.6
74.02430	1.1
74.06077	1.4
74.97588	0.6
75.04451	0.5
79.05525	0.5
81.03405	2.9
82.06573	12.1
83.04980	0.6
84.01545	0.5
84.04498	1.7
84.08135	9.5
84.08605	0.7
84.95985	0.6
85.02898	4.2
85.06540	0.8
86.03680	1.1
86.06066	2.0
86.09712	0.7
87.04459	1.7
88.04008	0.7
88.07581	0.5
88.99117	0.7
89.00754	0.4
90.01586	0.6
91.02357	0.7
91.05473	0.7
92.01294	0.6
93.07037	1.7
96.01528	1.3
96.08121	1.7
96.51287	0.6
97.02875	2.8
97.96789	1.5
97.99179	1.4
98.06039	1.2
98.97571	6.2
98.98453	1.8
99.04447	0.7
99.97897	0.7
100.03983	1.0
100.05208	0.7
100.07605	8.7
101.00806	1.7
102.05541	0.8
103.03176	0.4
105.02067	1.7
105.07057	0.5
106.49541	0.4
109.02854	2.5
110.01260	2.5
110.02433	0.5
110.06031	0.8
110.09669	32.6
110.97531	0.6
111.00223	0.4
111.04430	0.9
111.10003	0.5
112.04745	0.5
112.07600	5.8
112.08730	1.9
113.98675	0.7
114.05519	27.3
114.09151	3.4
115.03934	1.4
115.97842	1.1
116.00224	0.9
116.07074	9.9
116.52840	0.7
116.98608	3.8
117.02016	2.0
119.01860	3.9
121.52052	1.6
126.02570	4.2
127.57260	0.5
128.02422	0.8
128.03448	3.7
128.05429	0.8
128.07066	27.1
128.10699	100.0
128.52820	1.0
128.98598	2.4
129.07155	0.6
129.10205	0.7
129.11038	1.5
130.08835	0.6
130.09743	3.6
130.52541	2.8
131.00142	1.3
131.01793	0.6
131.91008	0.4
131.99655	1.2
132.06577	0.4
132.95882	0.6
133.03447	1.0
134.99619	1.8
135.03091	2.1
137.02957	0.7
137.53362	2.5
138.09094	0.7
139.53102	1.0
142.03456	0.7
146.08162	1.0
146.53882	2.9
146.99609	1.2
149.01208	1.7
150.51990	0.6
150.96909	1.1
150.99144	0.5
151.51176	0.5
156.06560	2.1
156.10181	31.7
157.00482	0.6
157.10611	0.9
158.01227	0.5
158.09250	2.3
161.01176	0.7
161.02917	0.6
163.02635	0.9
163.04385	1.0
170.01324	0.7
172.03099	0.5
174.04008	2.0
174.07530	6.2
174.08781	2.4
174.11226	71.7
175.04550	0.7
175.11888	7.7
177.00711	0.7
187.04372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43390	0.4
54.11400	0.4
55.01864	1.0
55.05502	2.9
56.05024	1.2
56.73114	0.4
56.96561	14.4
57.03431	5.5
58.06591	1.6
59.04996	3.9
60.04521	3.3
60.05641	10.4
60.99324	0.4
61.02921	1.9
61.04044	0.5
67.05508	1.4
68.05023	2.0
69.03421	4.1
69.07054	0.5
70.03113	2.2
70.06583	77.3
70.98096	0.9
71.01335	0.7
71.04981	3.3
71.06102	0.7
71.06921	0.6
72.04501	1.1
72.08147	3.3
73.02907	2.6
74.02430	1.1
74.06077	1.4
74.97588	0.6
75.04451	0.5
79.05525	0.5
81.03405	2.9
82.06573	12.1
83.04980	0.6
84.01545	0.5
84.04498	1.7
84.08135	9.5
84.08605	0.7
84.95985	0.6
85.02898	4.2
85.06540	0.8
86.03680	1.1
86.06066	2.0
86.09712	0.7
87.04459	1.7
88.04008	0.7
88.07581	0.5
88.99117	0.7
89.00754	0.4
90.01586	0.6
91.02357	0.7
91.05473	0.7
92.01294	0.6
93.07037	1.7
96.01528	1.3
96.08121	1.7
96.51287	0.6
97.02875	2.8
97.96789	1.5
97.99179	1.4
98.06039	1.2
98.97571	6.2
98.98453	1.8
99.04447	0.7
99.97897	0.7
100.03983	1.0
100.05208	0.7
100.07605	8.7
101.00806	1.7
102.05541	0.8
103.03176	0.4
105.02067	1.7
105.07057	0.5
106.49541	0.4
109.02854	2.5
110.01260	2.5
110.02433	0.5
110.06031	0.8
110.09669	32.6
110.97531	0.6
111.00223	0.4
111.04430	0.9
111.10003	0.5
112.04745	0.5
112.07600	5.8
112.08730	1.9
113.98675	0.7
114.05519	27.3
114.09151	3.4
115.03934	1.4
115.97842	1.1
116.00224	0.9
116.07074	9.9
116.52840	0.7
116.98608	3.8
117.02016	2.0
119.01860	3.9
121.52052	1.6
126.02570	4.2
127.57260	0.5
128.02422	0.8
128.03448	3.7
128.05429	0.8
128.07066	27.1
128.10699	100.0
128.52820	1.0
128.98598	2.4
129.07155	0.6
129.10205	0.7
129.11038	1.5
130.08835	0.6
130.09743	3.6
130.52541	2.8
131.00142	1.3
131.01793	0.6
131.91008	0.4
131.99655	1.2
132.06577	0.4
132.95882	0.6
133.03447	1.0
134.99619	1.8
135.03091	2.1
137.02957	0.7
137.53362	2.5
138.09094	0.7
139.53102	1.0
142.03456	0.7
146.08162	1.0
146.53882	2.9
146.99609	1.2
149.01208	1.7
150.51990	0.6
150.96909	1.1
150.99144	0.5
151.51176	0.5
156.06560	2.1
156.10181	31.7
157.00482	0.6
157.10611	0.9
158.01227	0.5
158.09250	2.3
161.01176	0.7
161.02917	0.6
163.02635	0.9
163.04385	1.0
170.01324	0.7
172.03099	0.5
174.04008	2.0
174.07530	6.2
174.08781	2.4
174.11226	71.7
175.04550	0.7
175.11888	7.7
177.00711	0.7
187.04372	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01866	1.1
55.05503	7.1
55.05746	0.6
55.64637	0.3
56.05024	1.6
56.05845	0.3
56.96564	2.9
57.03433	3.5
57.07059	0.4
58.02954	0.3
58.06592	1.0
59.04992	2.4
60.04519	6.2
60.05643	7.5
60.05950	0.4
61.02925	1.3
67.05499	1.5
68.05029	2.7
69.03427	3.3
69.07060	0.9
69.71145	2.4
70.02948	1.0
70.06585	57.7
71.01371	0.4
71.04990	3.0
72.04504	2.5
72.08144	1.9
73.02914	1.1
73.11159	0.3
74.02433	3.1
74.06073	0.5
74.97595	0.4
79.05474	0.6
81.03415	1.2
81.07053	0.5
82.02940	1.6
82.06571	39.6
83.01309	0.4
83.04967	1.5
83.06889	0.6
84.04499	10.6
84.05295	0.6
84.08134	7.1
85.02895	4.4
85.06548	1.5
85.86127	0.3
86.06053	4.1
86.09707	0.8
87.04473	1.5
88.03988	0.5
88.07643	0.5
91.05475	0.8
92.01257	0.3
93.07044	1.0
95.04977	0.6
96.04482	1.1
96.08120	1.4
97.02860	2.6
97.06519	0.5
98.06023	0.5
98.20712	0.4
98.97581	0.8
98.98462	4.0
99.04430	0.7
100.01105	0.3
100.04008	1.9
100.07603	6.5
101.02349	0.6
101.06026	0.3
102.05540	2.4
102.24718	0.3
103.02425	0.4
103.03191	0.3
105.02035	0.5
105.07041	1.0
107.53152	0.3
109.02850	0.4
110.01234	0.4
110.02410	0.9
110.06041	3.7
110.09673	18.7
111.04405	1.6
111.51826	0.6
111.98502	0.5
112.03999	0.4
112.07592	7.5
112.08739	1.1
113.02354	1.1
113.05961	0.4
114.05520	26.4
114.09148	2.6
115.03948	2.0
115.05892	0.6
115.08705	0.5
116.00195	0.4
116.07079	6.8
116.98632	0.8
117.02100	0.4
118.05051	0.4
118.06544	0.9
119.01879	2.0
119.08603	0.4
121.03474	0.4
121.06522	0.4
125.02335	0.3
126.02603	0.3
126.05521	0.5
127.03916	0.4
127.07563	0.4
128.03433	11.6
128.07066	100.0
128.10701	56.8
129.05473	1.1
129.07489	2.1
129.10233	1.4
129.11087	0.8
130.05714	0.6
130.08733	0.7
130.09731	3.1
130.52638	0.4
131.00186	0.3
131.01884	0.6
131.08524	0.5
132.06532	1.4
132.08058	0.8
132.95824	0.6
133.03423	0.9
133.10060	0.3
134.99648	0.6
137.02940	1.3
138.05447	0.4
138.09151	0.9
139.03899	0.7
142.03499	0.6
142.04895	0.4
145.03491	0.7
146.04564	0.7
146.05988	1.0
146.08099	2.2
146.53839	0.4
147.08011	0.4
149.01184	0.4
150.00778	0.4
150.96869	2.0
151.04572	0.4
156.06525	13.6
156.10182	20.9
157.10115	0.4
158.09241	1.8
161.03069	0.4
165.00664	0.4
173.02975	0.6
173.98512	0.9
174.03986	7.2
174.05588	1.3
174.07552	23.4
174.11246	45.7
174.12636	2.6
175.02396	0.9
175.04395	1.1
175.06114	0.4
175.07681	1.0
175.11926	6.6
175.14737	0.8
185.02887	0.3
190.48415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	4.3
55.05511	19.6
56.96563	100.0
57.03436	23.4
59.04994	6.4
60.04519	5.1
61.02648	2.4
61.02928	42.9
66.00490	1.9
66.24191	2.0
67.05492	4.4
69.03404	9.6
70.06589	20.6
70.86868	5.3
70.98098	7.4
71.01305	3.2
71.04993	4.8
71.95252	3.8
72.08138	2.5
75.01057	2.0
77.00765	7.3
81.03410	4.0
82.06567	20.4
83.00769	5.4
83.04975	21.4
84.01546	8.8
84.04474	8.2
84.08118	9.5
84.96029	7.1
85.02892	16.3
86.06062	3.5
86.09705	2.3
86.51814	2.3
87.04456	4.5
88.51553	2.4
88.99155	5.3
89.00750	7.9
90.01556	2.4
91.00516	3.4
91.02304	3.2
91.05456	2.5
92.01286	8.0
92.98637	2.4
93.02092	3.2
94.51534	4.0
95.52338	3.7
97.00470	2.3
97.02881	5.2
97.99158	5.9
98.01281	8.7
98.97575	40.7
99.04443	5.2
99.95911	2.5
100.07602	7.1
100.51530	4.0
101.06020	13.8
101.99721	5.2
102.05524	2.3
104.01293	3.9
105.02057	4.1
105.06969	2.0
106.01016	4.5
107.00146	2.3
109.52068	2.7
110.09660	8.7
111.00226	20.1
111.04450	24.5
111.50515	2.0
113.02361	5.9
113.06022	3.2
114.05522	17.8
116.00204	5.4
116.07086	5.3
116.98615	41.1
118.01019	16.4
119.01889	14.2
120.00762	10.7
122.51064	4.2
124.95455	6.0
127.01544	13.8
127.03902	6.1
127.05022	3.3
127.08651	2.3
127.09499	5.0
128.03474	2.8
128.07076	58.2
128.10715	28.4
128.98578	6.6
129.05467	10.8
129.51787	5.2
131.00128	3.2
131.01913	5.6
131.08585	3.7
131.96169	6.1
131.99783	2.7
132.00746	9.4
132.06587	2.6
133.03453	4.4
134.00465	4.1
134.99652	25.3
137.02969	2.5
140.52058	2.3
141.01256	21.9
141.51344	2.4
142.96519	9.7
145.06567	2.2
145.10059	4.4
146.99617	8.4
149.01222	4.8
149.97217	10.0
150.01781	31.0
150.51865	2.7
152.52081	3.8
153.00713	4.1
155.07037	17.1
155.11702	2.3
156.06540	7.8
156.10153	11.5
158.10933	3.2
158.99615	2.4
159.02345	5.1
160.97563	8.9
162.99188	3.0
165.00732	4.5
173.02916	5.0
173.04395	3.1
173.08095	36.9
173.09497	3.1
173.13107	7.5
174.07596	11.4
174.11272	22.7
174.99158	3.8
177.00816	3.0
178.98628	4.3
183.99167	3.9
185.03140	2.1
188.97076	16.1
190.98535	3.3
191.02231	3.0
193.00208	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	174.0761
Annotation	(2S,5S)-trans-Carboxymethylproline
Peak:m/z	Relative Intensity
53.03955	0.7
55.01864	0.9
55.05503	6.3
56.05042	1.5
56.05832	0.7
56.96558	2.3
57.03435	3.1
58.06594	0.8
59.04995	2.0
60.04520	5.5
60.05642	8.4
61.02927	1.1
65.03951	0.4
67.05503	1.2
68.05029	2.3
69.03424	3.3
69.07074	0.6
70.02958	0.8
70.06586	55.6
71.04982	2.4
71.06911	0.5
72.04518	2.0
72.08149	1.7
73.02918	1.5
74.02428	2.4
74.06082	0.8
79.05502	0.7
81.03407	1.1
82.02941	1.0
82.06573	39.8
83.01346	1.0
83.04983	1.4
84.04504	9.9
84.05288	0.6
84.08140	6.8
85.02885	4.0
85.06539	1.2
86.06075	4.0
86.09698	1.2
87.04480	1.6
88.03982	0.8
91.05478	1.1
93.07034	1.0
95.04978	0.7
96.04484	0.6
96.08137	1.0
97.02881	2.8
97.06545	0.5
98.06023	0.8
98.97552	1.0
98.98473	4.7
100.03982	2.1
100.07616	5.8
101.02383	0.5
102.05539	1.8
102.06228	0.6
103.02473	0.4
103.03275	0.4
105.05503	0.5
105.07019	0.8
110.02413	1.0
110.06023	2.6
110.09673	16.4
111.04464	1.2
111.08058	0.6
112.04778	0.6
112.07600	7.2
112.08717	0.9
113.02402	0.6
113.07050	0.4
114.05521	26.6
114.09152	2.8
115.03891	2.5
115.05914	0.4
116.07078	7.9
116.98581	0.7
118.06557	0.8
119.01880	2.3
119.08578	0.6
121.03371	0.4
125.02340	0.7
126.05564	0.5
128.03439	10.8
128.07069	100.0
128.10706	48.2
128.98668	0.5
129.03755	0.4
129.05432	0.5
129.07382	1.4
129.10226	1.0
129.11064	0.7
129.99413	0.5
130.08717	0.9
130.09766	2.6
131.03407	0.7
131.08618	0.5
132.06557	1.1
132.08092	0.7
132.95895	0.4
133.03464	0.7
134.99634	0.9
135.03169	0.4
137.03046	0.6
138.05449	0.4
138.09091	0.7
142.03482	0.5
146.04515	0.4
146.05994	1.0
146.08157	1.2
146.53900	0.4
150.96877	1.0
151.04539	0.5
156.06551	13.1
156.10188	18.9
157.06862	0.4
158.09291	1.5
161.02998	0.7
173.98389	0.4
174.03987	7.1
174.05560	1.5
174.07561	24.1
174.11253	42.9
174.12651	2.6
175.04485	1.1
175.06024	0.7
175.07616	0.7
175.11937	5.7
175.14783	0.8
178.05637	0.4
185.02982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0811
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.85725	0.2
56.96574	0.4
63.60126	0.2
69.07137	0.2
69.95216	1.4
79.05483	0.6
81.03426	0.3
81.05809	0.5
82.06585	0.3
94.06626	0.3
96.08113	1.4
100.02371	0.3
106.06556	0.8
123.06764	0.3
124.07574	4.6
134.06003	50.1
135.06366	0.6
152.07051	100.0
153.07440	2.0
170.08110	18.0
171.08434	0.5
187.04131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0651
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03935	0.6
55.01863	3.4
55.05512	4.6
56.05024	0.6
56.96554	1.4
57.03424	0.7
57.07071	0.6
58.06583	0.4
65.03938	19.5
67.05495	1.7
68.02634	0.4
68.05037	0.3
68.99788	6.6
69.03423	2.0
69.07082	2.2
69.46848	0.8
69.47271	2.2
70.06578	1.1
71.04983	1.0
72.04517	3.9
72.08153	2.1
72.93787	0.6
79.01841	0.5
79.05490	1.2
81.03414	3.0
81.07051	0.7
83.01325	0.7
83.04976	9.3
83.06084	0.4
83.08618	1.4
84.04495	0.7
84.08133	0.9
85.02901	0.8
85.06542	0.5
85.07660	0.4
86.09711	0.7
89.07144	2.7
93.03396	3.8
93.07034	0.9
95.04961	0.9
95.08590	0.8
96.02097	0.6
97.02895	1.1
97.06506	0.7
97.07624	0.5
97.10166	0.4
98.06051	0.8
98.09724	0.5
98.97591	0.4
100.07652	0.4
105.07076	0.4
107.04964	0.6
107.08588	0.8
109.02885	0.5
109.06517	0.8
110.01278	0.3
110.09642	0.4
111.04434	77.4
111.09182	1.1
112.04084	0.3
112.04800	1.2
112.07594	0.4
115.05448	0.3
116.98644	0.4
119.01862	1.1
121.02886	1.1
121.03986	4.9
122.06136	0.4
122.53706	0.3
125.02641	0.7
125.05983	0.7
125.09617	0.9
126.05506	0.6
126.06429	0.4
127.03891	0.6
128.01025	0.4
128.04372	0.3
128.06277	0.7
128.07147	0.3
128.36888	0.3
129.07080	0.3
134.99599	0.5
135.11705	0.5
138.54121	1.2
138.55080	0.4
139.00356	1.9
139.03893	100.0
140.04230	2.0
143.03419	0.8
143.08499	1.7
147.04382	0.6
147.54649	0.9
147.96889	1.5
148.97400	0.6
153.05420	0.4
153.07388	0.8
153.09132	0.6
153.12732	0.3
154.04971	0.3
154.08623	0.4
156.03758	0.4
156.09355	0.7
156.55190	0.7
157.01317	2.2
165.97942	1.4
170.62242	0.5
170.98473	0.4
171.02861	1.5
171.06560	8.2
171.08026	0.7
171.10124	0.6
171.11613	1.1
171.14877	3.4
171.63100	2.6
171.64520	0.4
172.09683	0.8
188.07083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.06
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67986	0.2
55.01852	0.4
55.05506	1.1
56.05020	0.8
56.96554	1.2
57.03432	0.2
58.06583	0.4
59.06113	0.4
60.04523	0.5
65.03941	0.2
67.05505	0.3
68.05032	0.5
69.03410	0.4
69.07063	0.6
69.45404	0.2
70.06593	1.0
70.94279	0.3
71.05007	0.3
71.16219	0.4
72.04517	0.9
72.08134	0.5
72.93765	0.4
74.31651	0.2
79.05483	0.9
80.05001	0.3
81.03380	0.5
81.04540	0.3
81.07047	0.7
82.06564	0.7
83.04990	0.3
83.06090	0.8
83.08627	0.6
84.04513	1.0
84.08127	0.6
85.02918	0.3
85.06546	0.2
85.07648	0.4
86.06052	0.7
87.04492	0.2
89.07154	0.4
90.94835	0.2
91.05484	0.5
92.05000	0.5
93.05770	0.7
93.07009	0.3
94.06550	0.2
94.16804	0.2
95.06075	0.6
96.04481	0.5
96.08128	1.2
97.06525	0.5
97.07613	0.5
98.06057	0.5
99.05576	0.3
106.06503	0.2
107.04901	0.2
107.06036	0.3
107.08605	0.3
109.02906	0.3
109.07635	0.4
110.03214	0.5
110.06038	0.8
110.07146	0.3
111.00742	0.2
111.04436	0.7
111.05533	0.6
111.09189	1.2
112.01097	0.4
112.04777	0.2
112.07605	0.2
113.07095	0.3
114.09180	0.3
115.05444	32.9
116.04955	0.7
116.05785	1.1
122.03042	0.3
122.53726	0.2
124.07595	1.5
124.08421	0.2
125.02334	0.2
125.06026	0.2
125.07111	0.5
125.09629	0.3
125.10695	0.2
126.03090	0.2
127.03431	0.6
127.08693	0.6
128.06255	0.3
128.08128	0.3
128.95064	0.6
129.10246	0.2
130.06519	0.3
131.07275	0.3
134.06006	5.1
139.00229	0.3
139.03848	0.4
140.04961	0.5
141.05524	0.3
142.06538	21.7
142.08687	0.9
143.05940	0.4
143.06894	0.7
143.08389	0.4
144.08057	0.5
146.05963	0.2
146.96133	1.1
146.97256	0.6
146.99640	0.3
147.96901	0.8
152.07063	9.3
152.08141	0.5
153.05447	0.3
153.09128	0.2
153.10303	0.4
157.01346	0.6
160.07568	1.3
161.05957	0.3
164.98318	0.3
165.97958	0.8
166.77774	0.2
170.06000	100.0
170.08209	2.6
170.09602	2.6
170.98561	0.2
171.03043	0.2
171.05476	2.6
171.06450	2.1
171.09088	0.6
171.11635	0.5
171.14920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05500	3.0
56.05006	2.9
56.96548	3.4
60.04524	3.4
61.80957	1.7
67.05483	4.9
69.03416	2.7
70.06586	4.0
70.76958	6.0
79.05521	2.6
80.05009	2.6
81.03396	8.9
84.08128	5.2
91.05499	3.1
94.06543	12.1
95.04951	2.1
96.05592	3.9
97.02846	3.9
99.04409	2.8
106.04049	10.4
106.06584	3.0
108.04424	2.7
109.02853	8.0
109.03999	4.7
109.05117	6.7
111.03036	2.1
119.01925	5.5
121.01690	2.5
122.06033	17.4
122.09665	2.9
123.04407	2.5
123.06733	9.6
124.03938	8.7
124.07553	2.6
125.06958	6.8
126.05518	7.7
126.06632	6.5
127.03910	3.1
133.03474	3.7
133.05110	14.7
134.05998	5.2
141.05434	3.9
145.03470	5.5
150.05504	100.0
150.06555	3.8
150.07574	10.5
151.06114	41.4
151.07503	9.2
151.08623	2.8
152.07059	13.0
163.04541	3.6
168.04167	2.6
168.06465	66.0
168.07610	6.8
168.08797	24.9
168.10187	17.8
168.11298	2.9
168.13852	15.2
169.09723	4.0
169.13303	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	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03934	3.2
55.01850	4.7
55.05508	13.3
56.96549	2.7
57.03425	5.6
57.07069	20.7
59.04979	5.2
65.03940	6.7
67.05498	39.8
68.99772	5.4
69.03072	2.4
69.03424	35.6
69.07066	14.3
70.06582	2.0
71.04988	22.9
71.63457	1.5
72.08142	2.9
75.05798	3.3
79.05492	10.7
81.03413	15.2
81.07051	57.1
82.06583	2.7
82.07417	1.8
83.04971	17.3
83.06083	2.4
83.08600	4.7
84.04501	2.2
84.08106	2.7
85.02907	6.6
85.06538	83.0
91.05480	4.6
93.05740	1.8
93.07031	12.7
95.04966	13.1
95.08591	23.8
96.08115	5.8
97.02897	3.1
97.06502	6.7
98.03648	3.0
98.07174	1.5
99.04441	6.2
99.08075	3.9
105.07013	8.4
107.08583	14.3
109.02871	33.9
109.06516	22.0
109.07622	2.5
109.10148	83.8
110.06040	1.5
110.07130	2.3
110.10468	2.2
111.00797	22.9
111.04450	12.7
111.05525	1.9
111.08075	36.5
111.09229	4.0
113.05997	17.6
121.09288	2.6
121.10133	22.0
123.04424	4.8
123.08070	14.7
123.11696	69.1
124.04625	3.5
124.07568	3.8
124.08548	1.4
125.06002	2.6
125.09595	5.2
126.03123	34.7
127.03835	4.1
127.07503	2.2
127.11184	18.6
133.05116	1.3
133.10097	5.5
134.05991	3.2
139.11162	19.7
141.05453	100.0
142.05800	3.7
142.08607	4.0
145.58354	1.6
146.96104	2.4
151.03883	5.1
151.07498	5.8
151.08578	1.7
151.11172	32.5
152.07054	11.0
154.02600	4.8
154.07780	2.0
163.97668	1.3
167.08580	2.1
169.04971	50.2
169.07416	14.4
169.08752	3.5
169.10020	8.1
169.12230	87.3
170.05684	2.0
170.08115	6.3
170.09488	2.5
170.12653	1.8
172.05991	1.6
188.70653	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51780	1.0
53.03941	4.5
54.03461	2.3
55.01862	4.8
55.05508	91.7
55.73012	1.0
56.05033	6.4
56.05854	1.2
56.96555	3.3
57.03427	4.6
57.07069	5.9
58.06582	2.5
59.04998	10.0
59.06123	7.5
65.03919	3.0
67.05502	22.1
67.93916	1.0
68.05016	7.3
69.03073	1.6
69.03426	26.9
69.04526	2.3
69.06711	1.9
69.07065	22.0
69.62414	7.8
70.06589	10.0
71.04990	8.0
71.07352	2.1
71.08601	1.1
72.08136	4.8
78.04709	11.0
79.05054	1.4
79.05489	20.9
80.05009	4.9
81.03410	6.1
81.04537	3.7
81.07056	28.1
82.06578	9.2
83.01402	1.2
83.04978	100.0
83.08614	54.7
84.05254	1.3
84.08141	11.6
84.96005	1.8
85.02891	2.6
85.06549	11.0
85.07652	5.8
86.06055	1.4
91.05463	8.7
93.03356	1.5
93.07035	21.7
94.06585	6.9
95.04961	9.9
95.06079	4.2
95.08597	15.2
96.04449	1.9
96.05721	1.3
96.06870	1.2
96.08144	1.1
97.02876	2.4
97.06535	12.2
97.07654	7.3
97.10165	17.3
98.07191	1.9
98.09687	2.9
99.08102	2.2
99.09208	1.9
103.00630	1.3
103.05499	1.2
105.07026	7.1
106.04143	4.3
107.04934	5.9
107.06082	2.4
107.08588	35.0
108.04469	3.0
108.05616	1.3
109.02840	5.0
109.06527	7.7
109.07637	23.1
109.10152	29.9
110.06020	1.6
110.07171	4.1
110.08434	10.9
111.04449	6.8
111.05527	1.4
111.08067	36.5
111.09190	19.2
112.07603	2.1
112.08884	9.3
113.09650	5.7
119.04976	1.4
119.08543	1.3
120.08163	1.2
121.01678	14.0
121.02871	7.1
121.06488	9.2
121.07627	2.0
121.08365	6.0
121.10138	27.6
122.06040	2.6
122.07134	5.9
123.04429	18.2
123.08087	8.7
123.09132	6.5
123.11700	11.9
124.05154	4.5
124.08701	8.6
125.06057	5.0
125.07053	1.9
125.08205	2.5
125.09641	17.3
126.02612	1.1
126.05507	5.5
126.06612	2.9
126.10298	3.6
127.07373	1.5
127.11016	1.4
131.08549	2.1
133.07646	1.4
134.03708	1.4
135.04356	2.5
135.08032	1.5
138.10248	2.8
139.02693	7.3
139.03871	2.9
139.07535	4.6
139.08580	2.5
139.09695	1.2
139.11185	2.4
140.03453	2.3
140.06097	1.1
140.07065	6.3
140.08023	1.2
144.03232	10.7
149.02365	6.6
149.05971	4.0
149.08438	1.3
149.09615	8.5
149.13264	9.5
150.05487	4.0
150.06618	2.6
150.07759	1.1
150.09100	1.6
150.10242	23.9
151.03903	4.5
151.06125	1.6
151.07500	1.3
152.04657	4.9
158.12531	1.7
162.04272	5.7
167.03415	13.3
167.07031	88.4
167.09314	4.5
167.10631	13.6
167.12920	10.0
167.14282	59.1
167.15767	2.4
168.06548	4.3
168.10158	3.0
168.11340	4.2
168.14696	1.8
187.69818	1.1
188.63591	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	Perillic acid
Peak:m/z	Relative Intensity
50.86473	0.3
53.03937	1.3
55.01866	0.7
55.05507	13.7
56.96568	0.4
57.03436	0.8
57.07074	0.7
59.04995	2.3
59.06110	1.2
64.29611	0.4
65.03939	1.9
66.04716	0.9
67.05496	3.8
68.05018	0.8
69.03424	2.1
69.07062	9.3
69.85444	2.6
70.06583	1.7
71.04995	0.6
72.08153	0.7
77.03934	0.4
78.04705	10.5
79.05484	13.4
81.03404	1.4
81.04516	0.8
81.07052	6.0
82.06567	1.4
83.04986	4.3
83.06090	1.1
83.08611	1.4
84.08140	1.5
85.06527	1.0
85.07649	1.1
91.05470	7.6
93.03400	1.3
93.07039	13.4
94.04173	0.9
94.06570	0.6
95.04968	4.3
95.08611	3.5
96.05734	1.0
97.06524	3.7
97.07656	0.9
97.10168	9.4
98.09665	0.6
98.10471	0.4
103.05435	0.9
105.03405	1.1
105.06369	0.8
105.07029	8.4
106.04169	4.5
107.04960	3.8
107.08586	33.0
108.08935	0.8
109.02871	1.5
109.06512	10.6
109.07632	3.9
109.10126	1.1
110.07175	0.9
110.08417	1.5
110.18172	0.4
111.04439	2.7
111.08038	1.7
111.09207	1.8
111.11708	0.9
119.06042	0.4
119.08599	1.3
121.01653	1.9
121.02857	1.8
121.06502	15.4
121.10133	36.4
122.03636	1.2
122.07107	1.7
122.10486	1.0
123.04418	20.4
123.08022	3.3
123.11659	1.1
124.05231	6.8
124.08720	0.8
125.05972	1.6
125.09621	56.4
126.10001	1.4
131.08565	1.7
133.06567	0.4
133.07565	0.7
134.03596	1.1
135.04422	0.8
137.05968	1.2
137.08273	0.5
137.09601	0.7
139.02705	1.7
139.03778	0.9
139.07520	1.1
139.11208	2.4
144.03259	1.3
149.02327	1.9
149.05951	1.7
149.09605	25.2
149.13260	0.6
150.06596	0.5
150.10248	3.4
151.03912	4.4
152.04655	4.5
162.04291	0.9
167.03447	2.5
167.07030	100.0
167.10657	61.3
167.12976	1.6
167.14102	1.9
168.04144	0.8
168.07451	2.6
168.11017	1.1
185.89548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02384	0.3
52.03147	0.3
53.03927	0.8
53.57546	0.2
55.05496	0.3
60.84224	0.2
62.46054	0.2
63.73907	0.2
64.91418	0.2
65.03918	0.4
66.04716	0.6
67.05489	0.5
67.49925	0.2
69.07047	0.4
69.31976	0.4
69.32378	2.2
78.04708	10.2
79.05058	0.3
79.05488	3.9
81.03409	0.6
81.07063	1.2
83.04971	0.2
85.02934	0.2
91.05451	0.6
93.03386	0.6
93.07036	0.8
94.04173	0.5
95.04958	2.7
95.08591	0.4
96.05750	0.8
97.06519	0.2
105.03373	0.7
105.04544	0.2
106.04166	4.6
107.04962	3.3
107.08576	0.7
109.02862	0.9
109.06509	0.8
109.10076	0.3
111.04433	0.4
121.02861	0.6
121.06487	0.5
121.10134	0.8
122.03674	1.2
123.04422	19.3
123.08080	0.3
124.05218	6.8
125.06008	0.3
134.03639	1.4
135.04410	0.6
137.05962	0.9
138.03116	0.2
139.07527	0.3
149.02350	0.3
149.05959	0.2
149.09590	0.3
151.03903	4.0
152.04672	4.6
167.07028	100.0
168.04163	0.4
168.07372	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03149	0.2
53.03932	0.7
55.05513	0.4
59.05004	0.2
62.08270	0.2
65.03938	0.4
65.42544	0.2
66.04707	0.8
67.05495	0.8
69.03416	0.3
69.07063	0.3
69.61835	1.7
71.04984	0.3
77.03920	0.3
78.04707	11.4
79.05053	0.4
79.05486	3.7
81.03395	0.7
81.07062	1.0
83.04974	0.3
83.08628	0.2
84.08142	0.5
85.02918	0.2
85.08423	0.2
91.05447	0.6
93.03390	0.5
93.07038	0.6
94.04189	0.6
95.04961	2.2
95.08606	0.8
96.05750	0.8
97.06530	0.4
98.09704	0.4
99.10022	0.3
105.03403	1.0
105.04493	0.2
105.07042	0.4
106.04167	4.8
107.04411	0.2
107.04964	2.7
107.08575	0.9
109.02872	1.1
109.06487	0.5
109.07581	0.2
109.10140	0.3
110.09748	0.2
111.04498	0.2
111.08054	0.4
121.02863	0.3
121.06484	0.4
121.10136	0.9
122.03639	1.4
123.04420	20.9
123.11698	0.2
124.05221	7.3
125.06057	0.4
125.08150	0.2
134.03603	1.5
135.04425	0.7
137.02330	0.4
137.05963	1.1
138.03114	0.3
144.03287	0.3
149.02315	0.3
149.09587	0.2
149.13326	0.3
150.10228	0.3
151.03897	4.8
152.04680	4.7
163.62003	0.2
166.65211	0.4
167.07028	100.0
168.04199	0.8
168.07358	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03938	0.6
57.06987	0.3
58.76853	0.3
61.30698	0.3
62.12150	0.3
65.03907	0.4
66.04701	0.6
67.01863	0.3
67.05498	0.4
69.03380	0.3
70.82947	0.9
78.04705	11.1
79.05483	4.0
80.89020	0.3
81.03412	0.5
81.07048	1.1
83.04969	0.6
91.05470	0.9
93.07018	1.4
94.04173	0.8
95.04972	2.3
96.05750	0.9
97.06506	0.3
97.10151	0.3
105.03394	0.5
106.04154	4.0
106.35622	0.3
107.04964	2.8
107.08594	0.4
109.02857	0.9
109.06499	0.3
121.02863	0.5
121.06474	0.7
122.03645	1.1
123.04420	18.8
124.05217	6.9
125.05968	0.5
134.03635	1.0
135.04395	0.8
137.05974	1.0
139.07523	0.4
149.02309	0.6
149.05930	0.4
149.09590	0.3
151.03899	4.0
152.04674	4.2
165.05539	0.3
167.07027	100.0
168.04247	0.4
168.07431	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03934	0.9
55.05488	0.5
58.09146	0.2
59.22408	0.2
65.03922	0.6
66.04700	0.6
67.05489	0.7
69.07044	0.4
70.06618	0.2
70.68676	0.7
77.03880	0.2
78.04708	12.1
79.05046	0.4
79.05481	3.9
81.03404	0.6
81.07036	1.1
83.04983	0.6
83.08591	0.4
85.02905	0.3
91.05461	0.6
93.03369	0.6
93.07040	1.2
94.04161	0.6
95.04961	2.1
95.96455	0.2
96.05728	0.7
97.06512	0.3
105.03369	0.9
105.04514	0.3
106.04165	4.8
107.04369	0.3
107.04960	2.7
107.08604	0.9
107.74016	0.3
109.02874	1.1
109.06496	0.5
110.03702	0.2
111.04434	0.3
111.08097	0.5
113.98896	0.2
115.96691	0.2
121.02888	0.5
121.06507	0.5
121.10109	0.5
122.03656	1.4
123.04424	20.7
123.08057	0.3
124.05225	6.8
124.43065	0.2
125.05986	0.3
125.08167	0.2
125.09575	0.3
134.03651	1.4
135.04410	0.7
137.02327	0.4
137.05962	1.0
139.07542	0.5
144.71330	0.3
149.02336	0.4
149.05998	0.6
149.09602	0.3
149.13292	0.3
151.03894	4.2
152.04674	5.1
152.05913	0.2
165.05421	0.3
167.07030	100.0
167.14169	0.6
168.04189	0.6
168.07381	3.3
171.46103	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
52.03146	0.2
53.03939	0.8
54.19207	0.2
55.01860	0.3
55.05500	0.8
56.96556	0.5
57.03449	0.2
60.76532	0.2
65.03939	0.6
65.33730	0.2
66.04711	0.8
66.33488	0.2
67.05489	0.9
69.03409	0.4
69.07052	0.7
69.64443	0.6
69.64855	1.2
78.04708	11.1
79.05061	0.4
79.05489	5.0
81.03400	0.7
81.07059	1.2
83.04970	0.6
83.08572	0.4
84.08161	0.2
84.96045	1.2
85.02878	0.4
87.89999	0.2
91.05465	1.1
93.03393	0.7
93.07037	1.7
94.04157	0.7
95.04974	2.6
95.08602	0.6
96.05731	0.9
97.02875	0.4
97.06528	0.7
105.03404	1.1
106.04168	4.3
107.04961	3.2
107.08588	2.1
109.02869	1.4
109.06516	0.8
110.03690	0.3
111.04432	0.3
111.08027	0.4
120.02055	0.3
121.01661	2.8
121.02818	0.7
121.06521	1.0
121.10116	1.4
122.03620	1.2
123.04420	21.6
123.08031	0.3
124.05222	7.5
125.06032	0.4
125.08265	0.4
125.09637	0.5
131.08559	0.3
134.03630	1.1
135.04433	0.7
137.02344	0.6
137.05980	0.8
138.03091	0.6
139.02690	1.2
139.03754	0.4
139.07515	0.9
142.96614	0.2
144.03215	2.3
149.02356	0.6
149.06001	0.7
149.09567	0.6
149.13196	0.2
151.03886	3.8
152.04677	4.3
158.24297	0.3
162.04308	1.0
165.05537	0.3
167.07028	100.0
167.10640	1.8
167.14270	0.7
168.04156	0.6
168.07411	2.8
186.58995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02371	0.2
52.03155	0.3
53.03938	0.7
55.05507	0.3
64.02149	0.2
65.03925	0.5
66.04706	0.6
67.01849	0.3
67.05488	0.6
70.74659	0.4
70.75027	0.4
77.17818	0.2
78.04707	11.3
79.05050	0.3
79.05479	3.2
80.44827	0.2
81.03400	0.4
81.07057	0.9
83.04974	0.4
84.08129	0.2
84.96061	0.2
85.02902	0.2
91.05485	0.6
93.03371	0.5
93.07021	0.7
94.04166	0.9
95.04961	1.8
96.05747	1.0
97.06519	0.3
105.03384	0.6
105.04503	0.2
106.04165	4.7
107.04955	3.1
107.08594	0.6
109.02845	1.1
109.06498	0.2
110.03605	0.2
120.02068	0.4
120.14445	0.2
121.01676	0.3
121.02821	0.4
121.06481	0.4
121.10156	0.5
122.03648	1.4
123.04418	20.0
124.05222	6.3
125.06033	0.3
134.03632	1.2
134.67509	0.2
135.04390	0.9
137.02310	0.4
137.05937	1.2
138.03081	0.4
139.07542	0.6
144.03218	0.4
149.05981	0.5
151.03885	3.6
152.04684	4.5
162.04233	0.2
166.65250	0.3
167.07025	100.0
168.04166	0.7
168.07373	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	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.46700	0.3
53.03940	0.7
55.01834	0.4
55.05500	0.7
56.05021	0.5
56.96550	0.7
57.03410	0.5
59.06120	0.6
65.03939	0.6
66.04700	0.9
67.05495	0.6
68.05015	0.6
69.03423	0.6
69.07050	0.9
70.06577	0.7
71.01340	0.3
71.02617	0.6
71.02963	0.6
72.08148	0.4
77.03941	0.4
78.04705	10.8
79.05063	0.5
79.05482	3.0
81.03409	1.3
81.07039	0.8
83.04952	0.9
83.06079	1.0
83.08605	0.4
84.08119	1.1
85.02856	0.4
85.07681	0.4
91.05469	0.9
93.03380	0.6
93.07041	0.8
94.04201	0.5
94.06541	0.5
95.04972	2.6
96.05740	1.0
97.06502	0.4
98.06074	0.4
98.18314	0.3
105.03390	0.7
106.04169	4.4
107.04951	1.2
107.06031	0.4
107.08562	1.0
108.04491	0.5
109.02859	1.2
109.06493	0.5
109.07652	2.1
109.10091	0.3
110.08421	0.9
111.04441	0.6
111.08031	0.4
111.09192	1.7
117.02011	0.3
121.01679	1.4
121.02855	0.5
121.06490	1.0
121.08399	0.4
121.10155	0.8
122.03636	1.1
122.06024	0.4
122.07138	0.4
123.04423	20.9
123.09187	0.6
124.05222	5.9
124.08677	0.4
126.05517	0.5
131.08563	0.4
134.03632	1.3
135.04384	1.1
137.05945	1.3
138.03134	0.4
139.02672	1.2
139.03745	0.5
139.07582	0.3
139.11272	0.3
140.07059	0.9
144.03232	1.5
149.02345	0.7
150.10231	2.1
151.03880	4.2
152.03531	0.4
152.04674	5.1
162.04272	0.7
167.07028	100.0
168.07358	3.6
171.23343	0.3
183.13533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
52.03162	0.3
53.03937	1.1
55.01854	0.4
55.05507	1.2
56.05017	0.3
56.96566	0.2
65.03925	1.0
66.04698	0.6
67.05489	1.7
68.99778	0.9
69.03409	0.6
69.07060	1.3
70.06593	0.3
70.40976	0.7
70.41389	0.5
71.04972	0.4
76.84894	0.3
78.04703	11.7
79.05070	0.4
79.05483	5.6
79.22404	0.2
81.03413	0.7
81.07045	2.4
82.06565	0.8
83.04973	1.2
83.06049	0.3
83.08592	0.4
84.08122	1.8
84.95996	0.3
85.02891	0.4
85.08475	0.3
91.05484	1.8
93.03399	0.8
93.07037	3.4
94.04152	0.7
95.04963	2.8
95.08598	1.3
96.05757	1.3
97.06507	0.9
97.10152	0.3
98.09687	0.9
99.09998	0.6
105.03370	0.8
105.04444	0.3
105.07003	0.9
106.04169	4.3
107.04957	4.2
107.08579	3.9
109.02850	1.4
109.06493	1.6
109.07651	1.4
109.10139	0.6
110.07190	0.3
110.08440	0.3
110.09663	0.3
111.04422	1.0
111.08057	0.9
111.09197	0.6
111.09924	0.3
121.01657	0.9
121.02837	1.1
121.06487	0.9
121.10130	5.0
122.03651	1.5
122.07142	0.8
123.04417	22.1
123.08029	0.7
123.11682	0.5
124.05211	7.2
124.08721	0.4
125.05975	1.0
125.09607	0.3
129.96388	0.3
134.03607	1.2
135.04405	0.6
137.02312	0.3
137.05978	1.5
138.03099	0.6
139.02625	0.5
139.03845	0.3
139.07559	0.3
139.11218	0.6
139.79498	0.2
140.07024	0.4
144.03276	0.9
149.02342	1.0
149.05978	2.3
149.09572	1.4
149.13167	0.3
150.05403	0.3
150.10257	1.9
151.03905	4.2
152.04675	4.6
153.05130	0.3
162.04248	0.4
166.65244	0.5
167.07024	100.0
167.10634	1.9
168.04166	0.4
168.07426	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	167.07
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42826	0.2
53.03923	0.9
55.05506	0.6
65.03945	0.4
66.04708	0.6
67.05484	0.4
68.99789	0.5
69.03413	0.5
69.07055	0.5
70.56419	0.2
70.56731	0.5
71.04977	0.2
73.00248	0.2
78.04259	0.5
78.04708	10.8
79.05054	0.5
79.05484	4.1
81.03400	0.8
81.07044	1.5
83.04942	0.3
85.48986	0.2
91.05465	0.4
92.02631	0.2
93.03391	0.7
93.07027	0.9
94.04180	0.5
95.04952	2.4
95.08599	0.4
96.05737	1.1
97.06467	0.3
97.10158	0.2
98.10446	0.2
105.03379	0.8
106.04166	4.5
107.04953	3.2
107.08579	1.0
109.02856	0.8
109.06499	0.7
110.03625	0.3
111.04455	0.4
111.08073	0.5
112.55644	0.2
121.02870	0.7
121.06479	0.7
121.10135	0.8
122.03640	1.2
123.04419	21.9
123.08017	0.3
123.11692	0.3
124.05219	6.9
125.05973	0.5
125.09624	0.7
134.03632	1.2
135.04428	0.7
137.02402	0.2
137.05962	0.9
139.07510	0.4
149.02339	0.3
149.05972	0.2
149.09538	0.5
149.13263	0.3
151.03902	4.0
152.04683	4.9
165.05467	0.3
167.07024	100.0
168.04175	0.7
168.07350	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.01624	0.2
51.02358	0.2
53.03933	0.8
55.01857	0.3
55.05514	1.1
56.05020	0.5
56.96548	0.2
59.06116	0.6
60.74340	0.2
65.03925	0.5
66.04704	0.6
67.05513	1.4
68.04994	0.6
68.79198	0.2
68.99763	0.2
69.03432	1.4
69.07042	0.6
70.06580	1.6
70.57107	0.2
70.73827	0.2
70.86882	0.6
71.04980	0.2
72.08122	0.4
73.02913	0.4
77.03905	0.2
78.04704	10.2
79.05057	0.3
79.05481	4.0
80.05015	0.2
81.03402	1.0
81.07051	2.2
82.06567	0.8
83.04976	2.1
83.06078	0.7
83.08609	0.3
84.08131	0.8
84.96014	0.3
85.02899	0.3
85.06565	0.3
85.07632	0.3
90.54483	0.2
91.05475	1.6
93.03387	0.6
93.07027	2.3
94.04166	0.7
94.06529	0.4
95.04963	2.7
95.06097	0.3
95.08590	0.9
96.05721	0.7
97.02856	0.2
97.06528	0.5
97.07619	0.6
98.09695	0.3
99.04439	0.2
105.03369	0.5
105.04504	0.3
105.07012	0.6
106.04161	4.2
107.04951	2.0
107.08580	2.7
109.02856	1.2
109.06522	1.7
109.07629	1.7
109.10121	0.9
110.07161	0.3
110.08405	0.6
111.04432	0.8
111.08043	0.7
111.09203	1.0
116.09713	0.2
119.04910	0.5
119.08567	0.3
121.01701	1.2
121.02854	3.6
121.06496	0.9
121.08422	0.4
121.10150	2.1
122.03629	1.0
122.07132	0.5
123.04415	19.0
123.08020	0.5
123.09179	0.3
124.05221	6.2
124.08694	0.7
125.05998	0.3
125.09636	0.5
125.12306	0.2
126.05547	0.2
129.90042	0.2
131.08525	0.4
134.03609	1.4
135.04372	0.8
135.08118	0.2
137.02309	0.5
137.05952	0.9
137.09613	0.4
138.03064	0.5
139.02652	0.6
139.07547	0.5
140.07085	0.4
144.03232	0.9
149.02318	0.5
149.05988	1.4
149.09625	1.2
150.09128	0.3
150.10201	1.5
151.03894	3.6
152.04671	5.1
162.04314	0.6
167.07021	100.0
168.04137	0.5
168.06206	0.2
168.07419	3.6
168.13800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
60.54263	0.1
62.34875	0.1
70.20549	0.5
77.03940	0.1
79.05487	0.8
84.08127	0.2
91.05463	0.4
92.63003	0.1
93.07043	1.4
98.09689	0.2
103.05456	7.0
104.05837	0.2
107.04953	1.9
107.90079	0.1
117.96660	0.1
120.08094	100.0
121.07677	0.3
121.08446	2.7
131.04904	2.7
149.05992	1.1
166.08620	3.1
182.74324	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	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19962	3.1
82.94927	0.6
82.99857	1.1
83.81126	0.6
86.60017	0.7
100.02480	1.5
101.00871	14.9
102.89983	0.6
105.12922	0.6
108.11437	0.6
118.03514	0.8
119.01910	100.0
120.01976	2.9
123.90926	0.6
124.02428	3.8
137.02948	45.1
138.03030	1.4
142.03488	84.4
143.03584	3.2
148.47813	0.6
148.62167	0.6
160.04546	35.6
161.04675	1.0
165.05067	3.7
174.76889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.80644	0.7
51.99870	0.6
52.68522	0.6
53.03921	1.0
55.01854	1.6
55.05510	5.1
56.05020	1.4
56.96549	0.8
57.03432	3.9
57.07066	5.3
58.06575	0.8
59.04982	2.7
59.06118	0.9
65.03919	2.0
67.05499	23.8
68.05005	2.3
69.03427	7.2
69.07062	7.9
69.81322	1.0
69.81728	3.5
70.06570	3.1
71.04979	1.8
78.04167	0.7
79.05483	11.2
80.04981	1.0
80.24549	0.8
81.03391	2.1
81.04532	1.9
81.07051	28.8
82.06577	1.2
83.04979	3.6
83.06101	3.9
83.08591	2.8
84.08138	6.7
85.06516	0.8
91.05471	15.4
93.07039	7.8
94.07378	0.7
95.04961	41.3
95.05947	1.6
95.08599	25.4
96.05293	1.3
97.06479	1.6
97.07632	1.5
98.07222	0.7
98.09090	1.0
98.09685	13.4
101.00863	3.4
103.05441	2.6
105.06379	1.3
105.07024	16.8
107.04943	4.5
107.06078	2.5
107.08588	45.0
108.05682	1.1
108.08910	1.9
109.06514	23.9
109.07658	1.7
109.10123	5.7
110.07262	2.2
110.09664	3.6
111.09199	1.2
117.06998	2.5
119.01914	23.9
119.04946	4.8
119.08572	33.3
120.01968	2.2
120.03271	0.9
120.08136	5.3
120.08875	1.0
121.06496	1.6
121.07596	2.2
121.10127	11.9
122.07169	3.3
123.04427	1.7
123.08064	35.7
123.11698	30.3
124.02446	1.1
124.08675	3.1
124.11206	1.5
124.12064	0.8
125.09510	1.8
129.06973	1.0
132.05693	3.3
133.02835	2.0
133.07576	0.8
135.11713	1.1
136.08752	1.2
137.02960	10.8
137.05991	4.5
137.09612	5.7
137.12328	1.6
137.13232	7.6
138.03011	1.6
138.05444	1.1
138.06522	0.7
138.10258	1.6
141.97087	0.8
142.03502	18.7
142.96619	0.8
143.03647	1.0
147.04417	8.4
147.06915	1.3
147.08032	19.8
147.11670	13.2
148.08659	4.0
150.12727	4.2
160.04553	9.2
164.64075	4.2
165.01758	1.6
165.05516	3.4
165.06651	1.1
165.09094	12.2
165.11453	5.1
165.12735	100.0
165.64888	3.9
166.04987	2.6
166.08621	1.8
166.13120	4.5
170.66582	0.7
173.44504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1478
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02369	0.6
53.03940	5.7
55.01856	0.7
55.05502	5.8
56.96544	1.0
57.07071	2.6
61.02902	1.4
66.61156	0.5
67.05493	12.9
69.03407	0.9
69.06703	0.7
69.07059	6.2
69.45806	3.2
69.46220	0.8
73.02920	0.8
77.03893	0.9
79.05483	30.6
80.05811	0.8
81.03383	1.3
81.07046	22.6
82.01432	0.8
83.08614	3.9
85.02871	1.0
89.06004	1.2
91.05464	8.1
92.02612	2.6
93.07030	30.8
94.07355	0.6
95.04956	16.0
95.08595	19.9
96.05282	0.7
97.10137	1.2
100.02474	8.9
103.05455	5.3
105.03384	5.2
105.04478	2.3
105.07020	3.1
107.04933	3.3
107.08579	28.4
108.08122	0.5
108.08916	0.6
109.06516	1.1
109.10126	1.8
110.01215	0.5
111.67213	0.5
115.05416	0.6
116.72207	0.6
117.06992	2.1
118.03504	7.6
118.06527	0.4
119.01757	0.5
119.04924	0.6
119.08564	2.4
121.06448	0.9
121.10126	36.3
122.10460	0.8
123.04053	2.1
123.08020	0.7
128.02324	0.9
130.06528	0.5
130.07758	0.6
130.52538	0.7
131.04895	5.2
132.08041	1.0
133.02834	22.4
134.03151	1.2
135.04398	22.2
135.08040	1.6
135.11678	5.6
136.04729	1.2
136.07535	0.7
138.03065	1.1
141.05070	1.8
142.03375	0.7
145.06516	1.0
145.10097	2.6
162.80800	0.4
163.03882	100.0
163.07457	4.9
163.11143	11.0
163.12375	1.1
163.14796	34.6
163.63319	2.8
164.04359	6.0
164.06953	2.5
164.10611	0.7
164.15111	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03929	0.3
55.01870	0.3
55.05509	5.5
60.68004	0.2
65.96564	0.2
69.03397	0.2
69.07084	1.2
69.57893	1.4
79.05497	1.5
81.07056	0.5
91.05477	6.4
93.07018	1.1
94.09216	0.2
103.05463	1.1
104.06229	0.7
105.07028	13.9
106.07346	0.4
107.08588	1.1
109.06482	0.2
113.29624	0.2
115.05471	1.1
117.07018	1.9
118.04186	0.5
118.07813	0.2
119.08573	100.0
120.08891	3.2
121.06383	0.3
121.10149	2.0
122.10516	0.2
128.06265	0.3
128.95735	0.2
131.08554	1.4
131.47667	0.2
133.06490	1.6
133.10123	13.0
134.07079	0.3
134.10493	0.3
146.07274	0.3
146.10928	0.7
159.11703	0.6
161.05952	1.0
161.08322	0.3
161.09608	1.5
161.13251	14.1
162.05467	0.3
162.13582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03929	0.4
55.01867	0.6
55.05510	6.1
65.03928	0.3
67.05518	0.3
67.60109	0.2
69.03422	0.4
69.07067	1.7
71.41463	0.2
71.61665	0.4
77.90418	0.2
79.05492	3.1
79.13058	0.2
81.07057	0.7
81.64983	0.2
89.03915	0.3
90.04710	0.5
91.05479	6.5
93.07035	1.0
95.04983	0.8
103.05453	3.1
104.06239	0.5
105.07025	24.3
106.07370	0.7
107.04948	0.6
107.08572	1.2
112.32024	0.3
115.05445	3.7
116.05817	0.2
117.07045	1.7
118.04152	2.2
118.07738	0.2
119.08575	100.0
120.05637	0.4
120.06557	0.3
120.08907	3.0
121.06416	0.4
121.10139	1.5
121.43948	0.2
131.04973	0.6
131.08571	1.5
133.06487	7.8
133.10120	12.1
134.07095	0.5
134.10474	0.4
143.06038	0.7
143.08533	0.7
145.10112	0.4
146.03612	0.5
146.07285	0.3
146.10973	0.2
159.11746	0.4
161.05942	3.2
161.07007	0.3
161.08206	0.5
161.09610	3.7
161.13248	14.8
162.05504	0.8
162.08974	0.3
162.13579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.20804	0.4
53.03940	2.1
55.01865	0.8
55.05505	3.8
56.96558	1.6
57.07084	1.7
58.57573	0.4
63.02375	0.3
65.03934	0.8
65.54328	0.3
67.05490	1.6
68.05007	0.6
68.99784	0.4
69.03426	3.4
69.07062	3.6
71.62446	0.6
72.08136	0.6
77.03893	0.8
79.05486	11.6
80.04990	0.5
81.03404	1.2
81.04520	1.1
81.07047	3.0
81.69439	0.3
82.05321	0.5
83.04974	0.5
83.08606	1.0
85.02888	0.8
87.48166	0.3
89.03922	0.7
89.04401	0.3
89.06026	1.2
91.05473	17.9
92.02615	0.7
92.05770	0.7
92.97694	0.3
93.07035	43.4
94.07328	0.9
95.04957	7.5
95.06071	1.4
95.08602	2.7
96.06881	0.4
97.07629	0.8
98.97556	0.4
100.02480	1.9
103.04775	0.6
103.05461	10.2
104.05803	0.4
105.03389	2.1
105.04492	1.7
105.07021	15.8
107.04945	5.0
107.08585	85.0
108.05587	0.7
108.08203	0.6
108.08862	2.0
109.06505	4.2
109.07677	0.5
115.05428	0.9
117.03386	0.7
117.07001	3.1
118.03494	2.4
118.06546	0.4
118.07346	0.4
119.04913	0.8
119.06058	1.3
119.08575	11.2
120.05560	0.4
120.09472	2.1
121.06483	2.9
121.09283	1.1
121.10129	17.4
122.06045	0.4
122.07139	2.6
122.10469	0.5
123.07992	2.5
125.33698	0.4
128.02324	0.6
129.07062	0.4
130.06570	0.6
130.07782	2.2
131.04915	11.9
132.05235	0.4
132.08037	0.8
133.02849	5.2
133.06439	0.3
133.10126	1.4
135.04405	7.3
135.08084	2.8
135.11678	100.0
136.07544	1.1
136.08688	1.2
136.12004	3.3
137.09581	1.1
141.05612	0.4
143.08531	0.6
145.02818	0.7
145.03929	0.6
145.06511	0.8
145.10109	6.8
146.06064	0.4
146.07124	0.8
146.10472	0.4
147.63156	0.3
148.05177	0.6
149.09641	0.6
150.06183	1.0
163.03897	27.7
163.04988	1.0
163.07527	7.3
163.09769	4.9
163.11162	22.5
163.14816	4.8
163.63289	1.2
164.03429	1.5
164.04512	0.6
164.07011	5.2
164.10576	1.0
170.91454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03941	2.3
55.01866	5.1
55.05508	0.4
56.96552	0.3
59.06110	0.4
65.03928	0.4
66.04709	1.4
69.41031	1.7
69.41463	1.9
77.03909	0.7
79.05486	16.9
79.05958	0.8
81.07038	0.9
89.03906	0.8
90.04704	2.3
91.05469	4.7
95.04958	4.5
97.02867	0.7
98.20750	0.8
102.04679	0.5
102.05540	0.8
103.05458	20.9
105.07019	100.0
106.07365	2.3
107.04953	1.6
113.02364	0.5
115.05446	24.2
116.05783	0.8
117.07025	1.0
118.04150	17.1
119.01865	0.5
119.06831	0.7
119.08562	5.5
120.05592	0.9
120.08075	1.1
121.06397	0.8
128.06171	0.5
131.04907	4.4
131.08583	0.7
132.05666	1.4
133.06477	56.5
133.10101	3.6
134.05977	0.4
134.06894	1.4
141.72444	0.4
143.03517	0.4
143.06035	4.1
143.08539	0.4
144.06450	0.4
146.03633	1.0
146.07262	0.7
161.04605	0.8
161.05968	16.7
161.07010	0.7
161.08177	1.0
161.09570	4.9
161.13251	3.4
162.05490	1.0
162.08904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95418	0.5
55.01859	1.5
55.05496	1.6
63.18224	0.6
67.05479	1.9
69.03424	4.7
69.07051	1.6
71.63724	0.8
71.64194	0.7
72.08124	1.7
74.06056	0.7
79.05484	5.7
81.07058	4.1
88.02214	0.6
91.05476	13.0
93.07049	4.7
95.04966	1.1
95.08599	1.6
95.27488	0.5
97.02880	1.0
100.07599	1.2
102.05556	1.4
102.71243	0.6
103.05467	1.6
105.07021	45.9
106.07328	1.3
107.04953	2.2
113.02335	0.6
115.05453	3.6
115.42213	0.6
117.07017	2.4
118.04147	1.5
119.04979	0.8
119.06830	1.2
119.08572	19.7
120.06596	0.8
120.08908	0.9
121.06487	10.5
128.06195	5.3
131.04906	1.9
131.08539	2.5
132.05556	1.0
133.06503	6.4
133.10115	27.1
134.10493	0.7
143.08545	7.0
145.06487	2.8
146.03586	1.5
146.07251	18.3
159.08113	1.2
159.11745	0.7
161.06000	5.9
161.09605	100.0
161.13243	21.7
162.05428	3.5
162.10106	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
52.23305	0.5
53.03931	1.6
54.51077	0.4
55.01868	3.8
61.36126	0.5
65.03954	0.6
65.95874	0.5
66.04714	1.2
69.07076	0.5
69.97170	2.9
77.03906	0.9
79.05490	16.2
80.05814	0.5
89.03902	1.4
90.04699	2.7
91.05475	4.5
92.02625	0.8
95.04975	5.1
102.04676	0.8
103.05458	23.2
105.07024	100.0
106.07345	2.5
106.42776	0.5
107.04956	1.0
115.05446	27.2
117.09949	0.5
118.04155	17.3
119.08574	0.7
131.04903	4.6
132.05727	1.0
133.06482	62.5
134.06827	1.8
143.06041	4.5
161.05983	15.2
161.09550	0.7
161.13225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02370	0.4
53.03944	1.7
55.01660	0.4
55.01872	4.7
55.05497	0.8
62.50740	0.3
66.04707	1.1
68.99749	0.3
70.12363	0.6
70.12772	1.7
77.03896	0.5
79.05486	15.8
80.05817	0.4
81.07034	0.9
89.03901	1.0
90.04694	2.5
91.05478	4.9
92.02605	0.5
93.07015	0.6
94.22005	0.3
95.04964	3.7
102.04681	0.9
103.05461	21.4
104.05758	0.4
105.07021	100.0
106.07350	3.0
107.04948	1.1
114.00865	0.3
115.05442	25.1
116.05762	0.7
117.07002	0.7
118.04150	16.2
118.06520	1.2
119.04452	0.4
119.08569	6.8
128.06232	0.6
131.04921	4.6
131.08499	0.5
132.05716	1.4
133.06479	55.5
133.10101	4.7
134.06828	2.2
143.04991	0.5
143.06021	3.9
143.08540	0.4
144.41750	0.4
146.03584	1.1
146.07231	1.0
161.05968	15.2
161.09587	3.7
161.13257	4.7
162.05463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	1.5
60.08134	1.3
69.84055	4.4
71.96552	0.7
72.04520	0.7
72.08149	59.1
77.60859	0.8
79.05446	0.7
80.68691	0.7
80.79228	0.7
84.08139	20.9
86.09682	1.5
86.53521	0.6
87.04462	0.8
98.06023	1.9
98.09686	1.9
98.97556	0.7
101.00868	7.9
102.05512	1.3
103.02404	0.9
107.05239	1.9
111.04443	2.0
111.06879	0.7
116.05758	5.6
116.55859	1.1
116.98588	1.0
119.01907	100.0
120.01989	9.4
121.01637	1.4
121.03450	0.9
123.79463	0.7
126.09126	6.8
129.04745	1.0
129.47495	0.8
130.08667	1.3
133.10112	0.8
133.98035	1.9
136.48366	1.4
136.95583	0.8
137.02942	59.5
138.03024	4.0
142.03511	4.0
142.98631	1.1
143.03584	7.0
144.03218	1.9
144.10187	15.0
145.48877	7.8
149.50519	2.7
150.00633	1.0
153.48196	0.9
154.49394	1.2
156.97444	9.2
160.04536	2.1
161.02968	6.8
161.04607	4.6
161.09502	0.9
161.12857	2.7
162.04289	2.3
174.98517	15.7
179.04010	9.3
179.99066	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.61848	0.2
53.03940	1.5
55.01870	4.3
56.96550	0.3
59.06120	0.6
61.52796	0.3
65.03925	0.6
66.04722	1.1
69.03444	0.4
69.07062	0.3
71.37717	0.7
72.04478	0.4
72.08161	0.4
77.03928	0.5
79.05487	17.3
81.03373	0.3
82.02205	0.3
84.08112	0.4
85.02897	0.3
89.03920	0.8
90.04691	2.6
91.05470	4.4
92.02626	0.4
94.04226	0.3
95.04964	5.1
102.04686	0.4
103.05460	20.5
104.05759	0.3
105.07022	100.0
106.07340	2.7
107.04951	1.1
115.05445	27.7
116.01675	0.4
116.05779	0.6
117.07022	0.5
118.04153	18.8
119.04494	0.5
119.08578	1.9
121.06393	0.6
131.04910	4.5
132.05698	1.0
133.06480	60.8
133.10121	0.9
134.06824	2.1
143.04918	0.8
143.06012	4.0
143.08490	0.4
144.08072	0.6
149.06056	0.3
160.65254	0.5
161.05966	15.7
161.08162	0.7
161.09499	2.1
161.13243	1.1
162.09113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01879	2.5
55.05505	44.2
56.05035	5.4
56.05854	0.9
56.96560	11.2
57.02436	0.6
57.03434	4.4
57.04570	0.7
57.07082	0.9
58.02963	3.2
58.06594	4.6
59.04997	7.7
59.06120	18.6
59.93109	1.0
60.04520	9.1
60.95845	1.5
61.02918	1.4
65.03919	1.2
67.05504	1.8
68.03262	0.6
68.05029	2.6
68.99813	0.7
69.03421	5.4
69.04533	0.7
69.07063	3.1
69.42774	5.4
70.02956	1.0
70.06586	12.4
71.01350	1.1
71.04975	3.9
71.06123	1.0
72.04518	3.1
72.05315	0.6
72.08154	10.2
73.02924	3.0
73.06548	42.4
73.08491	0.8
74.06072	3.8
74.97617	0.9
75.04476	1.1
75.05602	5.0
78.11968	0.5
79.05486	3.0
81.03421	2.7
81.04588	0.6
81.05855	0.7
81.07069	2.5
82.03765	1.4
82.06573	13.9
83.01318	0.8
83.04980	11.2
83.06101	2.5
84.04504	3.8
84.05312	0.8
84.08134	10.6
84.08605	0.8
85.02892	4.7
85.04026	1.5
85.06551	1.0
85.07655	4.6
86.06059	10.6
86.09686	1.2
87.00807	0.5
87.04451	4.1
87.05567	1.1
87.06357	0.6
88.03987	2.5
88.07628	2.0
90.05547	0.8
91.05467	3.0
92.05786	0.6
95.04959	0.8
95.06096	1.4
96.04461	3.1
96.08113	6.8
97.02872	6.1
97.04037	0.7
97.06525	2.2
97.07648	2.6
98.01278	0.7
98.03181	0.5
98.06044	5.5
98.07140	0.6
98.09687	2.4
98.97599	3.0
99.04443	1.2
99.05555	2.9
99.09207	0.7
99.97897	0.7
100.03983	2.8
100.07606	36.3
100.08677	1.3
100.97189	0.9
100.97990	0.7
101.00887	1.2
101.02379	2.6
101.03503	1.1
101.06015	16.2
101.07101	6.3
101.07783	1.0
102.05541	5.5
102.09186	1.0
103.05466	0.8
105.07019	8.9
107.04916	1.0
109.02876	1.1
110.03141	0.6
112.07601	1.4
113.02355	6.4
113.05947	0.9
113.07140	3.1
114.05522	14.8
114.06252	0.8
114.09157	12.4
115.03928	2.0
115.05417	2.2
115.07558	100.0
116.07104	1.1
116.07918	2.0
116.10711	1.8
116.98586	5.9
117.05729	2.0
117.06642	2.3
117.98935	0.9
118.03499	1.8
118.05006	0.7
118.06538	16.4
118.08622	1.8
118.96757	3.0
118.98252	1.1
118.99077	0.9
119.00143	0.7
119.01911	19.2
119.08582	1.8
120.01982	1.2
120.03336	0.7
121.01563	1.8
122.03081	0.6
123.10444	1.4
124.07567	2.4
125.02340	0.9
125.05992	1.6
125.07105	3.3
126.05508	1.1
126.09152	0.9
127.04029	0.6
127.08685	0.8
128.00774	5.6
128.10727	4.5
129.01106	25.2
129.02052	1.5
130.06479	1.9
130.08646	0.8
131.07265	0.8
131.08542	0.5
132.04440	0.9
132.06549	2.2
132.08067	6.7
132.08928	1.0
132.10124	0.8
133.01691	1.1
133.06464	3.6
133.08533	1.1
133.10117	2.7
134.01271	1.1
134.07150	0.7
134.99640	7.8
135.99965	1.8
136.02687	0.8
136.04489	1.0
136.99205	2.3
137.00125	1.4
137.02942	12.4
137.03897	0.5
137.05986	2.2
137.97070	0.9
138.06311	1.6
141.01262	0.7
142.02388	1.0
142.03476	8.1
142.04965	1.2
142.08621	13.7
142.09724	1.4
143.03477	2.0
143.06946	1.6
143.08141	4.2
143.11784	1.2
144.10220	0.7
145.01663	1.9
146.99570	0.9
148.05658	2.1
151.06306	1.2
151.13506	1.3
151.63689	0.9
153.00650	1.7
154.96407	1.4
158.01280	1.1
158.99603	0.9
159.64845	0.7
160.04507	8.2
160.06030	7.1
160.07535	5.7
160.09654	36.8
160.10831	7.9
160.13300	50.1
161.01198	0.6
161.02933	1.3
161.04671	0.9
161.05936	4.7
161.07074	1.9
161.08113	1.2
161.09534	6.3
161.11035	1.0
161.13388	1.9
163.02681	2.6
177.00668	2.1
178.05499	2.7
179.03932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0968
Annotation	Methyl 4-hydroxypiperidine-2-carboxylate
Peak:m/z	Relative Intensity
55.01870	0.5
55.05507	4.7
56.05031	1.5
56.96567	2.6
57.03425	1.1
57.04575	0.5
58.02963	0.8
58.06588	0.9
58.70122	0.4
58.99601	0.5
60.04524	0.6
60.08157	1.0
61.02922	0.8
68.05026	1.7
69.03419	1.5
69.06711	0.7
69.07061	6.4
70.06586	12.6
70.07349	0.4
71.04961	0.5
71.31325	0.7
72.08157	3.5
73.02905	0.9
74.02440	0.9
74.07205	0.6
77.18225	0.4
79.05473	0.8
80.71364	0.3
82.06572	31.9
83.04952	0.5
83.06850	0.6
84.04505	0.7
84.08144	2.6
85.02899	1.3
86.06052	3.1
87.04459	2.9
87.45295	0.4
88.07630	1.4
89.85094	0.4
96.08125	25.8
97.02874	0.9
97.08462	0.7
98.06083	0.7
98.97560	0.9
99.04435	0.6
100.07608	100.0
101.02396	0.8
101.06003	0.7
101.07941	1.5
102.05541	2.7
103.00526	0.4
104.07076	1.0
105.07047	0.6
105.56139	0.4
106.52460	0.4
113.02424	0.6
114.03765	4.9
114.05518	7.2
114.09156	30.6
115.03975	0.4
115.09486	0.7
116.04732	0.7
116.98653	0.5
118.03455	0.6
118.06526	1.2
119.01898	1.8
121.01530	0.6
125.07089	0.5
129.01825	0.7
132.08080	0.6
133.03426	0.4
133.06453	0.4
134.99649	0.5
136.06584	0.4
137.02921	1.2
142.03511	0.7
142.08618	12.2
160.04335	1.5
160.06117	2.4
160.09676	81.2
160.10738	3.9
160.13252	3.7
161.10081	1.9
168.10112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0968
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
53.03939	0.6
55.05257	0.7
55.05506	8.1
56.05036	2.2
56.96562	4.0
57.03418	1.3
57.04549	1.5
58.02955	1.1
58.06589	1.2
59.04995	2.1
59.88100	0.4
60.05651	0.4
60.08163	3.9
68.05015	1.2
69.03423	1.0
69.07067	5.7
69.89503	2.2
70.06585	32.9
70.37259	0.4
71.04973	0.8
71.06924	0.7
72.08153	5.9
73.02903	0.6
73.08483	1.0
74.02457	0.4
74.06068	0.4
74.07207	0.5
79.05459	0.6
81.03410	1.0
82.06574	17.5
82.07066	1.0
83.04971	1.8
84.04495	1.3
84.08128	5.0
85.02895	1.4
86.06059	6.5
86.09734	1.1
87.04459	5.2
88.03966	0.6
88.07629	5.4
89.54561	0.4
96.04487	0.5
96.08122	24.1
97.02882	1.6
97.08475	0.8
98.06042	0.7
98.20814	0.7
98.97572	1.1
99.53497	0.4
100.02478	0.4
100.07609	59.5
101.00884	0.5
101.06012	8.2
101.07939	1.3
102.05534	8.4
104.03120	0.5
104.07100	2.0
109.02886	0.6
114.03727	1.7
114.05521	8.0
114.09156	44.8
115.07568	1.2
115.08676	0.7
115.09476	1.0
116.04727	17.6
116.10701	0.8
116.98600	0.7
118.06557	0.6
119.01905	4.3
122.49609	0.4
124.07552	0.6
124.11163	0.5
125.07053	0.8
126.02534	0.4
133.03424	0.5
137.02924	1.8
142.03523	1.2
142.08620	14.3
142.12227	0.8
143.08904	0.4
144.06529	0.5
144.10172	1.5
148.03844	1.2
151.02774	0.7
157.03285	0.5
157.04442	0.5
160.03616	3.2
160.09679	100.0
160.10782	6.5
160.13297	14.7
161.10115	2.3
161.11142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0917
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.05508	0.7
56.05025	2.3
56.96560	4.9
57.03437	0.6
59.06112	2.6
60.04514	0.6
61.02924	0.5
67.05499	0.8
67.31266	0.5
68.05027	0.9
70.06596	0.7
70.64931	1.6
71.01344	0.7
71.04990	1.2
71.95281	0.9
72.04517	1.3
72.08152	1.5
74.06075	0.7
76.93387	0.8
81.03414	1.4
81.04533	0.8
82.06548	0.5
83.06095	0.8
84.04501	1.2
84.08150	2.2
85.02921	1.5
86.06076	0.5
87.04474	0.5
88.04004	0.6
91.05482	1.4
93.05764	0.5
95.06099	0.9
96.04506	0.7
96.08098	1.0
98.09703	1.0
98.97580	7.9
99.04420	1.0
99.05550	1.0
100.03964	1.2
100.07621	1.0
102.05532	0.8
105.07014	2.4
109.02870	0.9
110.09697	1.4
111.05577	0.7
113.06012	1.0
113.07105	1.7
114.05559	0.7
115.05450	33.8
116.04996	1.1
116.05788	1.0
116.98614	8.8
117.05762	14.9
117.06535	0.8
117.07063	0.7
117.95911	0.5
117.98994	0.9
118.06546	7.2
130.06522	29.2
131.06850	7.2
131.08562	2.1
131.10077	0.5
132.08083	98.4
133.08450	2.6
134.99651	9.8
135.97040	0.9
135.99974	1.1
137.02988	0.5
140.04930	1.0
141.01770	1.4
141.05486	0.7
141.06456	1.0
142.06514	59.4
143.06961	1.9
153.00705	2.0
158.08415	2.0
158.64114	1.9
159.06564	2.8
159.09164	100.0
159.11661	3.4
159.13295	1.6
159.64926	2.0
160.06221	0.8
160.07573	17.3
160.09549	2.9
160.10870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78580	0.3
54.98619	0.5
56.96561	14.2
58.52277	0.4
70.82138	1.1
71.95257	1.9
88.85995	0.4
98.97576	98.2
100.02485	0.7
101.00923	0.4
116.98614	100.0
117.98981	0.8
118.03527	1.1
119.01895	1.3
134.02962	2.0
134.99649	82.7
136.00024	0.7
137.03036	0.5
139.15355	0.4
140.00179	3.2
141.50235	0.5
153.00703	14.9
158.01251	5.3
158.02534	0.6
158.02953	0.4
158.09666	0.5
163.95047	0.4
176.02278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0811
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
55.01869	2.9
56.05035	0.5
56.96564	2.6
57.03432	1.0
57.30390	0.3
58.06588	0.3
59.06124	0.6
60.04526	0.5
67.77078	0.3
68.05027	0.9
69.07063	7.1
70.06591	3.9
71.04991	0.3
71.40954	0.7
72.08132	0.3
77.85512	0.3
79.05493	0.5
81.03413	1.1
81.05794	1.1
83.06073	0.5
84.04492	3.7
85.02921	0.3
87.04440	0.3
87.05584	1.2
88.47890	0.3
94.06561	15.9
95.06806	0.5
95.07354	5.7
95.07935	0.6
96.04488	16.4
96.08129	5.8
97.04843	0.4
98.05405	0.6
98.06044	11.9
98.09691	0.4
98.97578	7.9
99.05559	0.4
102.05529	1.1
109.02866	0.3
110.06033	0.4
112.07594	2.2
112.11224	0.6
112.55715	0.7
114.05521	18.3
115.05847	0.4
116.97252	0.7
116.98609	9.3
116.99435	0.4
122.06017	4.6
126.02525	0.3
126.55431	0.4
134.99652	7.4
135.06778	0.3
135.10376	0.6
138.05507	1.3
140.07053	100.0
141.01865	0.5
141.07404	2.8
149.11983	0.9
153.00700	1.3
157.63522	0.4
158.01276	0.7
158.08116	41.6
158.11705	0.7
159.08427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1019
Annotation	Scopoline
Peak:m/z	Relative Intensity
53.03929	1.4
53.81636	0.6
54.03462	0.6
55.01851	2.4
55.05505	6.0
55.93503	0.9
56.05029	3.1
56.96550	3.1
57.03425	4.2
57.04536	0.6
57.07063	0.9
57.74366	0.6
58.06589	1.4
59.06127	2.8
59.31234	0.6
60.04511	1.9
65.03915	0.7
67.02950	0.7
67.05222	0.5
67.05504	6.3
68.05016	2.8
69.03409	2.2
69.04539	0.8
69.07061	11.1
70.02944	1.0
70.06592	4.7
70.88083	0.8
70.88427	1.3
70.95861	9.8
71.04987	1.0
71.06111	1.5
72.04487	2.5
72.08161	2.7
72.93781	9.2
73.02904	2.3
73.93816	1.0
74.06062	1.8
74.93810	2.5
79.05486	4.3
80.05001	1.6
81.04514	1.6
81.07031	2.8
82.02921	1.6
82.06578	6.2
83.04980	4.4
83.06091	2.4
83.08610	2.3
84.04489	7.0
84.06880	0.7
84.08131	1.5
85.02919	0.8
85.06559	1.4
85.07623	0.9
86.06065	1.0
86.09700	3.9
88.51509	0.5
88.96885	4.8
90.94796	3.2
91.05487	2.8
92.94833	0.9
93.07037	8.9
94.06558	0.8
95.04955	1.6
95.06091	1.4
95.07339	1.9
95.08602	7.9
96.03886	1.1
96.04488	14.2
96.05576	0.9
96.08128	8.7
96.08808	0.8
96.08936	0.6
97.02872	1.6
97.03988	2.5
97.04707	1.0
97.05276	11.1
97.06526	11.5
97.07597	3.5
98.04792	0.9
98.06051	2.7
98.07117	1.7
98.09688	1.8
99.04407	0.7
99.05553	1.5
100.03943	1.2
100.07594	5.6
101.02366	1.3
105.63950	0.6
108.05595	0.9
108.08096	1.9
108.95848	1.2
109.06492	2.2
109.07659	1.2
110.02395	9.7
110.06036	31.9
110.07156	4.8
110.09675	15.9
110.10409	1.1
111.04412	1.8
111.05552	1.8
111.08071	66.5
111.09277	1.8
111.98457	6.5
112.07623	1.1
112.08395	1.3
113.06001	0.8
113.07096	1.5
113.10764	0.9
113.96383	1.1
114.05511	0.8
114.06667	6.0
114.09151	0.7
115.05424	1.9
115.96445	4.1
120.05564	2.2
120.08107	3.0
121.01511	0.9
121.06522	2.7
123.06771	1.2
124.07578	0.8
125.08379	5.8
126.05488	0.7
126.09149	30.5
127.09440	0.6
127.61247	0.6
128.06245	0.8
128.07037	3.0
128.10690	2.4
129.06978	1.6
129.99506	4.8
131.97394	2.1
132.95837	9.6
132.97519	1.7
133.06471	1.9
133.97485	2.2
138.05486	8.1
138.06619	4.6
138.09128	64.2
139.03909	1.0
139.04988	1.2
139.07550	16.8
139.08626	2.0
139.09529	1.2
139.11116	0.7
141.06905	0.6
142.07764	2.1
143.06047	1.0
150.96878	33.4
151.97112	0.7
155.97435	2.5
156.02867	1.1
156.06534	7.1
156.07892	6.2
156.10188	100.0
156.13794	2.2
157.01300	1.0
157.05000	1.1
157.06375	0.9
157.08688	0.8
157.10326	2.5
168.97974	2.5
173.98476	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	156.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61326	0.4
53.03935	0.7
54.03463	1.5
55.01857	1.8
55.02997	0.4
55.05510	4.4
55.93515	0.9
56.04799	0.4
56.05034	3.9
56.96561	4.6
57.03427	1.1
57.04551	1.7
57.07051	0.6
57.43335	0.4
58.02945	0.6
58.06575	1.6
59.03724	0.5
59.04985	0.9
59.06123	3.8
60.04524	2.6
65.03924	0.7
67.02971	1.7
67.05499	7.4
68.05023	3.3
68.05820	0.5
69.03414	1.3
69.04543	1.1
69.05788	0.4
69.07058	3.9
69.42233	2.6
69.42664	1.6
70.02944	0.9
70.06587	12.7
70.95859	13.1
71.04984	0.9
71.06098	1.9
72.04517	2.7
72.08139	1.8
72.93385	0.8
72.93785	14.0
73.02905	2.9
73.87103	0.5
73.93807	1.5
74.06062	1.8
74.93828	5.1
79.05473	1.2
80.04968	0.9
81.04549	3.5
81.07049	2.4
82.02935	1.2
82.05334	0.4
82.06104	0.7
82.06574	12.1
83.04980	2.2
83.06099	3.2
83.06894	0.6
83.08612	0.8
84.04498	8.8
84.08135	5.1
85.02888	0.7
85.04002	1.5
85.06536	1.1
85.07662	2.1
86.06057	1.9
86.09707	1.6
87.05574	1.5
87.09183	0.5
88.04008	0.5
88.07627	0.5
88.96889	7.2
90.94814	4.6
91.05465	2.0
91.94885	0.9
92.94843	1.6
93.04505	0.7
93.07024	4.6
94.06535	1.4
95.04977	2.1
95.06089	1.5
95.08038	0.8
95.08597	9.9
96.04502	2.3
96.05652	1.1
96.08096	2.5
96.08906	0.5
97.02891	2.3
97.03999	4.1
97.06535	4.4
97.07640	5.0
98.04778	1.1
98.06042	1.8
98.07175	3.1
98.09654	1.5
99.05566	2.0
99.09197	0.6
100.03965	1.6
100.07597	1.4
101.05947	0.5
106.97913	1.2
107.83432	0.5
108.05576	1.2
108.95848	1.5
109.07616	1.1
110.02405	8.9
110.03158	0.9
110.06039	11.7
110.07167	5.8
110.09680	12.0
110.10426	0.9
111.04446	2.4
111.05562	3.8
111.07478	0.6
111.08084	6.6
111.09187	2.3
111.98467	6.9
112.05078	0.5
112.07597	1.6
112.08742	0.6
113.02557	1.0
113.06031	0.5
113.07113	1.6
113.10726	1.1
113.96407	2.4
114.05527	1.1
114.06646	9.8
114.09184	0.6
114.10223	0.6
114.96532	0.6
115.03912	1.1
115.04984	0.9
115.08663	1.2
115.96422	5.5
116.00207	0.7
119.04964	0.7
120.05571	3.1
120.08068	0.5
121.01539	1.3
121.06483	1.2
121.10078	0.5
122.03071	1.4
123.22422	0.4
125.02342	0.5
126.09158	0.8
127.08710	0.7
128.04295	1.1
128.07062	1.4
128.10722	2.2
129.07066	2.4
129.10201	0.7
129.99524	6.1
131.97426	3.0
132.95827	10.4
132.97435	1.1
133.54778	0.5
133.63725	0.5
133.96486	0.6
133.97473	4.8
138.05487	6.5
138.06609	6.1
138.09128	100.0
139.03969	0.8
139.05000	1.6
139.07500	2.9
139.08630	2.3
139.09560	2.6
139.11166	1.2
139.12221	0.5
140.08200	0.6
141.06987	1.0
142.07787	3.2
150.96877	47.2
151.97224	0.7
153.01070	1.0
155.97401	3.5
156.02803	0.6
156.06520	4.2
156.07663	7.9
156.10188	98.6
156.11267	4.7
156.99046	0.6
157.01311	1.2
157.04951	1.5
157.06371	1.0
157.08728	0.7
157.10356	4.0
168.97948	4.0
173.98494	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	156.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
71.27682	3.0
72.08146	2.4
73.76767	1.1
74.09712	17.7
83.06088	3.3
84.04479	2.0
85.07626	1.5
89.51897	1.3
93.04530	3.5
95.06078	3.1
96.96930	2.6
107.22048	1.2
110.02379	1.9
110.07157	40.0
111.05597	1.3
130.06305	16.1
138.05490	1.6
152.57814	1.3
156.04198	100.0
156.07660	5.7
156.10150	2.6
157.04597	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	156.0767
Annotation	L-Histidine
Peak:m/z	Relative Intensity
54.03469	0.2
55.01871	0.9
55.05499	0.2
56.05032	0.5
56.96563	1.7
57.03427	0.5
61.02923	0.3
67.05489	0.3
68.05018	0.7
69.03417	0.5
70.06583	1.9
70.12868	0.6
70.75010	0.2
70.95856	0.7
72.08147	1.2
72.93780	0.6
73.02905	0.5
74.09719	0.5
77.00921	0.2
78.52959	0.2
81.04536	0.7
82.05314	2.3
82.06580	0.6
83.06095	9.0
84.04492	0.7
84.08142	0.5
85.02898	0.4
85.07664	1.2
86.06066	0.3
87.53491	0.3
90.94815	0.2
91.00519	0.2
93.04517	5.7
94.06602	0.2
95.06083	7.1
95.06693	0.4
96.04491	0.5
96.08159	0.3
97.06539	0.2
97.96725	0.2
98.97576	0.6
99.02051	0.3
100.02498	0.9
101.00884	0.7
101.02531	0.3
104.01293	0.3
110.02404	1.3
110.07153	100.0
111.04430	0.4
111.05550	3.9
111.06852	0.3
111.07494	1.6
111.09157	0.3
111.98488	0.4
112.01022	0.3
113.96280	0.2
114.04018	0.2
115.02373	0.2
116.98610	0.2
118.01152	0.3
118.03521	1.1
119.01906	5.6
119.03586	0.2
120.02022	0.4
121.01533	1.1
126.01051	1.5
126.09096	0.4
128.07054	0.2
128.10692	0.3
129.99525	0.2
130.06319	0.6
131.01909	0.4
132.05074	0.3
132.95825	0.7
133.01572	0.2
133.03433	1.3
137.02951	2.7
138.05496	1.5
138.09155	0.5
139.09508	0.3
142.03484	3.4
142.07782	0.3
143.03688	0.3
150.96878	1.8
151.04497	0.6
156.02962	0.2
156.04167	2.8
156.06511	1.5
156.07669	12.6
156.10156	3.1
156.11273	0.3
156.13753	0.5
156.14934	0.4
157.01346	0.3
157.06065	0.7
160.04485	1.2
173.98410	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	155.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
54.03457	1.6
54.93840	1.0
55.01863	5.2
55.02995	0.8
55.05509	31.2
55.93512	2.3
56.05030	5.8
56.96562	58.5
57.03426	7.0
57.04561	2.2
57.07068	2.8
58.06598	3.2
59.04998	2.9
59.06134	3.9
60.04530	4.0
61.02922	2.6
65.03938	8.3
67.01863	2.0
67.02982	1.1
67.05499	34.3
68.02648	1.0
68.05027	6.0
68.05901	0.9
68.41091	0.7
68.99797	3.7
69.03426	12.9
69.04543	3.7
69.07063	4.0
69.96172	8.1
70.02934	1.7
70.06592	11.7
70.39889	3.3
70.95859	26.8
71.01350	3.3
71.04993	10.1
71.06107	2.2
71.08618	1.3
71.94102	3.6
72.04515	3.2
72.08152	8.1
72.93784	99.3
73.02912	8.5
73.06548	15.8
73.93838	1.3
74.04821	1.4
74.06081	1.8
74.06901	1.0
74.97606	2.5
75.05625	1.3
79.01827	0.9
79.05480	4.9
80.04996	1.4
81.03414	22.0
81.04509	4.5
81.07052	21.9
82.02889	0.9
82.05320	2.3
82.06566	7.0
83.02597	0.9
83.04980	15.0
83.06090	6.7
83.08653	1.7
84.02118	2.5
84.04498	8.5
84.05628	1.5
84.08138	9.6
84.96043	1.1
85.02899	13.7
85.04036	1.4
85.06533	4.3
85.07670	2.7
85.08426	0.9
86.06061	8.5
87.04474	2.7
87.05614	1.4
88.03974	1.5
88.96898	14.2
89.00793	0.8
89.02351	1.0
90.01563	1.9
90.94823	36.2
91.00533	2.5
91.05476	5.1
92.03091	1.3
92.04990	1.2
93.03403	1.5
93.04523	2.1
93.07047	4.5
94.06575	3.6
95.01329	4.6
95.04964	20.0
95.06065	7.1
95.08599	10.8
95.09154	1.2
96.04494	12.0
96.05643	5.0
96.08136	3.1
97.00488	1.1
97.02891	10.1
97.03960	4.1
97.06490	4.1
97.07662	3.4
98.01302	2.2
98.04781	1.1
98.06077	3.5
98.07173	6.8
98.09693	1.4
98.97591	17.3
98.98473	13.6
99.04469	9.0
99.05589	3.7
99.08133	1.0
100.01028	2.1
100.03991	1.7
100.07601	1.5
102.03330	1.1
102.08121	1.0
104.03130	1.7
106.01060	1.0
106.97965	4.0
107.06067	1.6
107.08582	1.1
108.05605	0.9
108.08028	0.9
108.95857	15.1
108.96552	1.1
109.02873	36.4
109.04015	1.5
109.06513	14.2
109.07643	5.2
109.08315	1.0
109.10152	16.9
109.52096	1.2
110.01271	2.1
110.02409	7.9
110.06054	11.2
110.07169	25.9
110.07846	1.2
110.09696	3.7
110.97559	1.3
111.04460	22.1
111.05588	3.8
111.08089	4.5
111.09204	2.7
111.98464	15.4
112.00988	3.2
112.01646	9.7
112.03999	1.5
112.05072	1.0
112.07611	2.6
112.08754	2.0
112.11267	0.9
113.02354	2.4
113.03513	1.6
113.05999	10.3
113.07135	2.4
113.08255	2.0
113.96397	44.7
113.98667	2.6
114.03046	1.2
114.05518	2.4
114.06647	10.0
114.09202	2.0
114.10302	1.0
114.94776	1.3
115.05029	1.4
115.07449	1.3
116.00247	2.4
116.98616	16.5
116.99440	1.3
119.01858	2.4
119.08582	2.0
120.02636	1.4
120.05595	1.4
121.01515	10.0
122.07189	0.9
123.00793	1.5
123.04485	5.7
123.05269	1.2
124.07539	1.1
125.03579	1.7
125.07130	1.1
126.09171	2.0
127.03915	45.3
127.07571	6.6
127.08694	2.7
128.02296	2.7
128.04247	0.8
128.07114	2.7
128.08173	2.0
128.10767	1.1
128.98630	2.6
129.02228	1.3
129.05466	2.4
129.99510	13.1
131.96201	7.8
131.97430	68.7
131.99625	9.3
132.52364	3.0
132.72900	0.8
132.94833	1.7
132.95825	27.5
132.97433	1.2
133.03430	1.1
133.98906	0.8
134.01268	1.3
134.10620	1.0
134.99657	15.3
135.00627	1.1
137.02303	12.0
137.06148	7.3
137.07089	4.3
137.07999	5.5
137.09634	4.1
137.10762	3.5
137.13263	1.3
137.98370	1.9
138.05515	20.0
138.06630	6.0
138.09114	11.6
138.10138	1.1
139.05022	4.7
139.07524	1.0
139.08691	1.8
140.04700	3.1
141.01840	1.2
146.04108	1.1
146.99672	4.4
147.03279	6.7
149.01189	1.4
149.49120	1.0
149.96144	1.3
149.97200	39.5
149.98405	2.4
150.00729	18.4
150.96877	100.0
153.00845	2.7
154.90733	2.3
154.97832	1.8
154.99016	9.7
155.03413	37.4
155.04672	21.3
155.07051	34.7
155.08232	5.3
155.09189	8.3
155.10641	2.7
155.11812	11.2
155.12888	1.9
155.14174	0.9
155.54842	2.1
155.97414	7.7
156.02852	0.9
156.06564	12.4
156.07735	8.7
156.08826	1.0
156.09044	1.3
156.10220	7.4
156.11363	3.0
156.13821	1.8
158.99629	9.3
161.01248	2.4
162.99162	1.7
164.05174	10.8
164.55313	1.5
165.00787	1.3
165.04344	10.2
166.55499	2.9
167.98296	6.6
168.01846	2.8
168.97945	7.5
172.95284	4.1
172.98822	4.4
173.02370	1.5
173.98483	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
54.93829	1.7
55.01861	0.7
55.05506	1.8
55.93497	0.3
56.05016	0.5
56.40138	0.3
56.96563	22.3
57.03434	1.9
58.31199	0.3
58.99855	0.6
59.06107	0.8
60.04515	0.3
60.15547	0.2
65.03938	0.5
67.01846	0.3
67.05499	3.5
68.05013	0.4
69.03422	1.1
69.04533	0.3
69.07061	0.5
69.96173	19.2
70.06577	0.3
70.95862	3.8
71.01352	0.4
71.04977	1.2
71.06104	0.3
71.60562	0.4
71.93718	0.5
71.94099	7.9
71.95245	0.6
72.04498	1.2
72.08160	0.3
72.93785	20.5
72.96059	0.5
73.02908	1.7
74.04811	0.3
74.06068	0.5
74.97601	0.4
77.00900	0.8
78.56815	0.2
79.05470	0.6
79.31500	0.3
80.52692	0.6
81.03396	1.1
81.04520	0.7
81.07030	1.4
82.06551	0.4
83.04974	1.6
83.06075	0.8
83.97575	0.3
84.05655	0.4
85.02893	1.2
85.06536	0.4
85.51888	0.3
86.06039	0.3
86.52704	1.8
87.02818	0.4
87.97220	1.6
88.02656	1.3
88.52748	0.3
88.96889	1.6
89.01754	0.5
89.51576	0.5
89.95130	1.0
90.94827	5.8
91.05460	0.8
93.01889	0.4
93.07022	0.7
93.53477	0.5
95.04968	1.8
95.06061	0.7
95.08598	1.5
95.53214	1.5
96.03213	0.3
96.05595	0.9
96.50523	0.5
97.03168	0.2
97.03981	0.6
97.06465	0.4
97.07664	0.4
98.01324	0.3
98.07169	0.6
98.97587	0.5
98.98444	0.5
99.04442	1.2
99.05557	0.4
99.53460	0.7
100.02468	3.8
101.00880	1.1
101.02579	0.8
102.02338	1.2
102.53919	0.3
103.02386	0.7
104.52664	0.4
105.51097	0.5
108.53973	0.6
108.95880	1.7
109.02874	1.1
109.06499	1.0
109.07639	0.6
109.10157	2.1
109.53772	0.3
110.02375	0.4
110.07166	0.8
110.98768	1.2
111.02943	0.8
111.04436	2.1
111.05576	0.3
111.08031	0.3
111.09222	0.3
111.98461	2.0
112.00975	0.7
112.96693	0.7
113.05988	1.4
113.07166	0.3
113.08222	0.5
113.53191	0.9
113.95100	0.8
113.96389	10.3
113.97025	0.4
113.98650	2.5
114.03300	0.3
114.04059	1.1
114.06660	0.8
115.01160	0.6
115.02430	0.3
116.98637	0.6
118.03520	3.3
119.01910	6.5
119.03602	0.4
119.08562	0.6
119.97303	0.8
120.03329	0.6
120.29945	0.3
121.01564	2.6
121.03420	0.4
122.53703	1.1
123.04453	0.5
123.51801	0.3
124.02461	0.4
125.02338	0.3
127.03927	2.8
127.07556	0.7
127.08584	0.3
128.97832	4.2
128.99757	0.3
129.03995	0.3
129.05487	0.4
129.99481	2.1
130.01018	0.3
130.97739	0.7
131.01892	3.9
131.51590	0.4
131.52461	0.3
131.54163	1.7
131.55069	0.3
131.96144	22.9
131.97418	14.5
131.99672	10.2
132.02118	1.3
132.05064	22.1
132.06075	0.7
132.52272	0.5
132.54079	0.5
132.55740	0.3
132.95816	3.0
133.02228	1.0
133.03455	3.2
133.04578	1.8
134.01286	0.4
134.99702	0.5
137.02940	1.5
137.06017	0.3
137.13359	0.3
137.49997	0.7
137.98360	5.4
138.00021	2.7
138.06615	0.7
138.49904	2.4
138.99947	0.5
139.02682	0.5
140.48645	0.6
140.50357	0.6
140.53738	0.4
141.00148	0.5
141.50253	0.8
141.51955	0.4
142.03488	4.8
143.03769	0.5
144.03238	1.4
144.04959	0.3
145.03477	0.4
149.00827	0.5
149.02966	0.9
149.49144	1.1
149.50873	1.9
149.97195	100.0
150.00711	22.2
150.02386	1.8
150.06105	18.4
150.50745	0.4
150.96844	12.1
151.00623	0.3
151.04526	1.1
151.06349	0.6
151.97643	0.5
153.00912	0.3
154.03496	0.8
154.97731	3.6
154.99042	1.5
155.01941	0.5
155.03375	2.2
155.07039	4.8
155.08369	1.0
155.09375	0.9
155.10481	0.4
155.11790	0.6
155.97414	1.2
155.99574	0.4
156.05014	1.1
156.06227	0.4
157.03510	0.5
160.04558	1.1
161.02917	0.6
162.04359	0.4
165.05029	0.4
167.98248	15.9
168.01813	3.2
168.03535	0.8
168.97943	0.8
172.98804	8.3
173.02563	1.2
173.04205	0.4
173.07726	1.3
173.98483	2.0
174.00758	0.7
174.06108	1.5
174.99179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.08344	0.2
54.93831	1.3
55.01870	1.8
55.05502	2.6
55.93507	0.5
56.05031	0.9
56.96562	48.6
57.03433	3.2
57.07066	0.4
58.06593	0.7
58.99865	0.4
59.05003	0.5
59.06113	0.3
60.04514	0.8
60.95863	0.5
61.02923	0.8
65.03934	0.6
67.01857	0.6
67.05502	3.5
67.51065	0.4
68.02660	0.3
68.05014	1.0
69.03422	1.9
69.04535	0.4
69.05395	0.2
69.07062	0.8
69.96173	17.8
70.06584	1.7
70.95858	4.2
70.98115	0.8
71.01354	0.6
71.04987	2.9
71.61973	0.3
71.94095	7.3
71.95261	0.8
72.04513	0.3
72.08136	1.6
72.93782	17.0
72.96039	1.0
73.02907	1.6
74.06090	0.4
74.97611	1.6
75.01044	1.0
75.04482	0.4
77.00900	0.3
78.52955	0.8
79.01855	0.3
79.05494	0.6
80.05016	0.4
81.03412	3.3
81.04539	1.5
81.07045	2.2
82.01420	0.6
82.06570	0.9
83.00768	0.3
83.04971	2.4
83.06096	1.4
83.97616	0.8
84.01559	1.6
84.02034	0.3
84.04501	2.1
84.05629	0.4
84.08133	2.0
84.96024	0.5
85.02905	2.8
85.06552	0.7
85.07658	2.9
85.52029	0.3
86.03650	0.7
86.06055	0.8
86.51826	0.3
86.52673	0.3
87.04463	0.7
87.05560	0.3
87.50784	0.5
87.53472	0.4
87.97206	1.5
88.96887	2.0
88.99171	0.7
89.00773	0.7
89.02425	0.2
89.95149	1.1
90.01548	0.9
90.94815	5.5
91.00549	0.5
91.02357	0.6
91.05475	0.6
92.52668	1.3
92.98656	0.5
93.04513	0.4
93.07040	0.6
94.06542	0.6
94.51539	0.3
95.01324	2.1
95.04986	2.1
95.06054	1.2
95.08589	1.2
95.52335	0.8
95.99786	0.3
96.01548	0.6
96.04468	1.5
96.05595	0.4
96.08128	1.3
96.51331	0.3
97.00504	0.6
97.02895	0.9
97.03980	0.3
97.06497	0.3
97.07661	0.5
97.52079	0.5
97.96804	0.6
97.99171	1.6
98.01282	2.1
98.06047	0.9
98.09691	0.6
98.97568	2.8
99.02059	0.7
99.04453	2.7
100.02475	4.9
100.05220	0.4
100.51536	0.4
101.00829	0.9
101.02554	0.3
101.52350	0.4
101.98705	0.4
102.01545	0.4
102.02361	0.5
102.51293	0.3
103.00505	1.0
103.02413	0.5
104.01271	0.5
104.52826	0.3
105.02076	0.8
106.01012	2.2
106.97910	0.5
107.01807	0.7
107.05000	0.3
107.96162	0.3
108.01529	0.4
108.08150	0.3
108.51309	0.4
108.53082	0.4
108.95853	1.8
109.02872	5.2
109.05186	0.4
109.06486	1.6
109.07653	0.6
109.10155	1.9
109.52092	0.8
110.01283	1.7
110.01971	0.3
110.03534	0.6
110.06065	1.5
110.07161	7.3
110.07931	0.4
110.09685	1.0
110.98772	1.3
110.99468	0.2
111.00242	0.3
111.02070	0.7
111.04441	2.8
111.05589	0.4
111.08067	0.4
111.09197	0.6
111.98466	2.3
112.01006	1.1
112.01632	0.7
112.02842	0.5
112.04064	0.3
112.07591	0.4
112.11269	0.5
112.96704	0.9
112.99134	0.3
113.02374	0.5
113.05980	1.1
113.07128	0.8
113.08266	0.3
113.53171	0.4
113.95100	0.7
113.96395	8.5
113.98644	2.9
114.04020	0.6
114.06651	0.9
114.51317	0.6
115.01528	0.8
115.52055	0.3
115.97840	0.9
116.00217	1.4
116.52864	0.4
116.98621	2.9
117.02031	1.4
117.51804	1.5
117.53624	0.5
118.01046	1.1
118.02763	0.3
118.03514	3.9
118.52586	0.3
119.00223	0.3
119.01884	7.1
119.04945	0.3
119.97338	1.2
120.00739	1.0
120.02565	1.0
121.01560	3.0
121.03472	0.5
121.52068	0.7
122.06060	0.5
122.07107	0.8
122.52841	0.5
122.53670	0.4
123.04395	0.7
123.06371	0.6
123.07908	0.7
123.51814	0.3
124.07586	2.0
125.07046	0.4
125.07887	0.5
125.10124	0.4
126.02552	2.2
126.05510	0.3
126.52314	0.5
127.01522	0.4
127.03926	5.5
127.06141	0.5
127.07522	0.9
128.02293	0.5
128.07086	0.5
128.52824	0.6
128.97824	2.3
128.98640	1.1
128.99779	0.3
129.05441	0.3
129.51849	0.3
129.99492	1.7
130.01942	0.4
130.52609	1.4
130.97765	0.4
131.00163	1.0
131.01900	2.3
131.51517	0.7
131.53369	3.5
131.54279	0.4
131.96140	25.6
131.97415	10.0
131.99680	9.8
132.00639	0.5
132.02037	0.7
132.05063	2.2
132.52315	1.0
132.95831	3.8
133.01662	0.5
133.03470	1.0
133.06006	0.5
133.98862	0.7
134.01289	0.5
134.02217	0.3
134.99664	2.6
135.03108	0.6
137.03069	2.7
137.04591	0.4
137.05969	0.6
137.07019	0.6
137.07947	1.2
137.10724	0.7
137.53311	0.8
137.98352	5.6
138.02969	0.3
138.05452	1.5
138.06496	0.8
138.09122	1.2
139.53137	0.3
140.04648	0.4
140.52043	0.6
140.53865	0.9
141.05197	0.3
142.03482	3.6
142.08641	0.9
143.02916	0.4
143.04134	0.3
144.04826	1.5
146.53865	0.8
146.99757	1.8
147.03285	0.5
149.01218	1.0
149.02931	0.8
149.49185	0.8
149.97191	100.0
150.00699	16.2
150.06114	0.6
150.96851	13.9
151.02776	0.4
151.04506	0.8
151.97618	0.3
152.01407	0.3
153.00786	0.4
154.03395	0.4
154.90735	1.6
154.97713	3.3
154.98993	0.8
155.01280	0.5
155.03406	3.7
155.04565	0.6
155.06906	3.1
155.07820	0.5
155.09105	3.3
155.11777	8.3
155.15366	0.3
155.97412	1.0
156.05165	0.6
156.06511	0.9
156.07675	1.0
156.08910	0.3
156.10197	1.1
157.00459	0.3
158.01260	0.5
158.99672	0.7
160.04567	1.1
161.01169	0.8
162.99133	0.5
163.98730	0.3
165.00652	0.6
167.02266	0.3
167.98247	15.3
168.01791	3.0
168.97969	0.8
170.01266	0.3
170.08118	3.6
171.89066	0.3
172.95238	0.5
172.98808	7.8
173.01152	0.9
173.02502	0.8
173.98445	1.6
174.00673	0.6
174.99117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
50.90612	0.6
53.03942	1.3
55.01868	2.1
55.05502	9.5
56.96554	1.8
57.03437	6.0
57.07066	2.0
59.04978	1.2
65.03932	11.0
67.05499	25.1
69.03421	3.0
69.07063	45.1
70.07410	0.6
70.94250	3.2
70.95850	1.1
71.04984	2.7
71.24458	1.3
71.24809	0.9
71.94096	9.8
71.95257	8.9
75.26578	0.6
79.05486	23.9
80.04997	0.9
81.03392	1.5
81.07051	29.2
83.04986	6.6
83.08614	5.3
85.02904	0.9
85.06548	1.3
87.04459	0.9
89.95129	1.5
91.05455	4.4
93.03392	1.9
93.07039	39.5
94.07349	1.2
95.04979	5.9
95.08599	16.9
97.02843	0.9
97.06525	19.9
105.07014	1.4
107.04972	4.1
107.08586	41.3
108.04476	1.1
108.08925	1.3
109.02884	0.8
109.06501	1.4
109.10148	29.6
110.03668	2.3
111.04448	27.1
111.08070	7.9
111.96851	1.3
112.04771	1.6
112.96725	2.6
119.53327	0.9
121.02945	0.7
123.04406	0.9
125.05979	12.7
125.06842	1.0
125.09612	1.8
125.48318	0.7
126.05468	0.7
126.06293	2.7
126.09066	0.7
129.97903	2.7
130.97739	4.1
131.04149	0.8
135.04402	2.3
135.08064	2.6
135.11682	99.8
136.03876	1.4
136.07562	2.4
136.12001	2.6
138.03076	1.4
138.05106	0.9
152.99467	0.9
153.01851	1.1
153.04199	0.5
153.05473	11.8
153.07465	5.9
153.09201	5.9
153.12733	100.0
153.99358	1.1
154.04930	5.2
154.08595	2.5
154.13081	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	152.0705
Annotation	Paracetamol
Peak:m/z	Relative Intensity
53.03924	0.4
55.01886	0.2
56.96549	0.6
57.03412	0.4
59.04986	0.4
61.02934	0.2
63.25077	0.1
65.03925	0.7
67.05491	0.4
69.03419	0.6
70.98103	0.1
71.60184	0.2
73.02913	0.3
79.05485	0.4
79.36633	0.2
79.57494	0.2
81.03410	0.7
82.04070	0.2
85.02884	0.9
88.02657	0.2
89.03448	0.2
92.05000	2.1
92.87653	0.2
93.05758	1.2
94.06536	0.5
96.04379	0.2
96.08113	0.3
97.02864	1.8
98.97581	0.2
101.00878	0.3
102.04221	0.3
104.03946	0.2
106.06531	0.5
107.07354	0.3
107.53533	0.2
109.02863	0.4
109.05130	0.4
110.03518	1.2
110.06036	7.4
111.02805	0.2
115.02414	0.8
116.03911	0.2
117.03989	1.4
119.01881	0.7
119.03722	0.2
122.06017	1.8
123.06755	0.7
124.03897	0.2
124.07561	0.6
125.04718	0.8
128.04565	0.6
131.01906	0.5
131.04509	0.3
133.03462	0.8
134.06009	6.6
135.03044	0.9
135.05025	2.6
135.06554	0.2
136.05118	0.5
137.04768	0.3
137.31950	0.2
137.48120	0.2
138.05495	0.6
140.04974	2.1
140.55087	0.5
141.04872	0.3
143.01935	1.0
145.03418	0.2
152.05702	9.9
152.07039	100.0
153.04088	2.4
153.07399	2.7
159.05090	0.2
161.02956	1.2
163.02626	0.2
172.17824	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	152.0705
Annotation	Paracetamol
Peak:m/z	Relative Intensity
55.52380	0.1
56.96555	0.3
57.03431	0.2
65.03930	0.7
67.05483	0.4
70.57722	0.5
70.58092	0.3
79.05486	0.2
80.04990	0.3
81.03384	0.2
81.07062	0.1
85.02877	0.2
86.06274	0.2
92.04993	2.2
93.05748	1.2
94.06549	0.3
97.02882	0.5
107.07342	0.2
108.08176	0.1
109.05138	0.2
110.03503	0.4
110.06034	8.2
115.02381	0.2
117.03956	0.5
117.18548	0.1
119.01847	0.2
122.06023	2.1
123.06799	0.3
124.03896	0.2
124.07628	0.2
125.04707	0.6
128.04590	0.3
133.03354	0.2
134.05995	1.0
135.02933	0.3
135.05016	0.6
138.05486	0.7
140.04961	0.6
140.55064	0.2
145.03410	0.2
152.07045	100.0
153.04059	1.1
153.07410	3.2
154.78059	0.2
161.02928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0774
Annotation	7-Methyladenine
Peak:m/z	Relative Intensity
53.03946	0.1
55.01845	0.2
56.05032	0.6
56.30808	0.1
56.96556	0.4
57.03432	1.7
57.04548	0.3
58.06587	0.1
58.06844	0.1
59.04982	0.1
61.01128	0.3
61.02915	0.2
68.02641	0.4
69.03427	0.8
70.77421	0.1
70.77802	0.3
71.01352	0.2
71.04980	0.7
73.02916	0.5
73.28182	0.1
75.04465	0.1
77.00875	0.2
78.52943	0.2
79.51907	0.3
80.04996	0.2
81.03410	1.5
82.01431	0.3
82.02652	0.1
82.04046	0.3
84.52946	0.2
85.02895	0.8
85.53721	0.3
86.03668	0.6
86.06058	0.1
86.52703	0.2
87.02699	0.1
87.04429	0.1
87.53471	0.2
88.02670	0.4
88.07602	0.2
90.52948	0.3
91.53708	0.1
92.01283	0.1
92.52701	0.1
93.53457	0.9
94.03553	0.2
94.04044	0.7
94.06557	0.3
94.54240	0.1
95.03437	0.2
95.04938	0.1
95.53294	0.1
96.01540	0.1
96.05604	0.2
97.03210	0.2
98.01320	0.1
98.52706	0.1
98.97556	0.2
99.04446	0.3
99.53451	0.8
100.00089	0.3
100.02470	1.9
100.03553	0.2
100.05215	0.4
101.00841	0.3
101.02545	0.3
102.02348	0.3
102.05512	0.2
103.02376	0.1
104.01290	0.1
104.03918	0.1
104.05315	0.3
104.07106	0.1
104.52664	0.4
106.04030	0.1
106.54230	0.2
107.53188	0.1
108.04436	0.3
108.05588	0.3
108.54032	0.1
109.02849	1.0
109.05120	2.4
110.01277	0.2
111.02908	0.1
111.04335	0.1
111.53469	0.1
112.05093	0.1
113.00858	0.1
113.53181	0.8
114.03299	0.1
114.04030	0.1
115.02421	0.2
116.98606	0.2
118.01120	0.7
118.03527	1.3
119.01897	1.0
119.03568	0.6
120.53950	0.4
121.01559	0.1
121.04034	0.1
122.06004	0.3
122.53732	0.7
123.01667	0.1
123.03895	0.2
123.06646	0.5
124.02406	0.1
125.03985	0.1
128.02385	0.4
129.54480	0.5
130.04582	0.1
131.01889	0.8
132.05023	0.1
133.03477	0.5
133.05083	3.1
134.03545	0.1
134.04572	0.2
135.05415	0.5
137.02856	0.4
137.04555	0.3
138.55011	0.2
139.05098	0.1
141.02705	1.5
142.03549	1.1
143.03584	0.1
144.05013	0.1
145.03447	0.4
148.06186	0.1
150.07735	100.0
151.08194	1.9
154.03465	0.5
156.05032	0.2
157.03435	0.3
159.03864	0.2
161.02951	0.2
163.84926	0.1
168.05058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0549
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03940	2.5
54.03466	0.7
54.59702	0.4
55.01857	0.8
55.05501	1.1
56.05024	1.6
56.96324	0.5
56.96560	5.0
57.03432	1.9
57.07054	0.4
58.06581	1.8
59.07362	1.2
59.58488	0.3
60.04522	0.9
61.01125	0.7
61.02908	0.5
65.03929	3.0
66.04248	1.1
67.05498	14.1
68.05028	2.0
69.03416	1.2
69.07021	0.4
70.00430	2.3
70.06573	0.4
71.04993	0.7
72.93781	0.6
73.02901	1.2
74.02435	4.7
74.06048	0.4
74.31454	0.4
74.97576	0.5
75.03175	0.6
75.05608	0.5
76.03992	1.5
79.05482	3.0
80.05014	9.0
81.03410	5.8
81.04502	0.5
81.07038	1.5
81.93224	0.4
82.06578	0.9
83.06093	0.7
84.08117	1.3
85.02880	1.3
85.53745	0.5
86.03687	0.5
86.06047	0.8
87.05569	0.5
88.03982	1.0
89.06007	0.6
90.01510	0.4
90.52934	0.5
91.05486	3.9
93.05756	0.6
93.07034	1.5
94.03751	0.7
94.06558	35.9
95.04958	4.7
95.06081	0.8
95.06874	1.0
95.08585	1.2
96.04474	1.1
96.08126	0.5
97.02895	0.6
98.01291	0.7
98.20793	0.4
98.97568	1.4
99.53457	1.2
100.02472	1.9
102.01897	1.8
102.05573	0.6
104.01259	0.8
104.07130	0.5
104.52651	0.4
104.55966	0.6
105.03409	0.4
105.04472	0.7
105.07018	4.1
106.06547	12.1
107.04933	0.5
107.06100	0.6
107.07351	0.5
107.08571	0.9
108.04465	21.0
108.08134	0.4
109.02894	2.1
109.04765	0.7
109.06475	1.0
109.07618	4.8
109.08842	0.8
109.10127	0.7
110.01266	1.8
110.06034	0.5
110.07197	0.5
110.08408	5.4
111.04346	0.6
111.07915	0.7
112.07618	0.7
113.53179	0.8
116.00236	0.4
116.98589	1.5
118.01113	0.7
118.03518	1.3
119.01792	3.0
119.04927	1.1
119.56477	0.4
121.02809	0.4
121.04091	0.7
122.03173	2.4
122.06018	24.4
122.09644	1.0
123.04427	1.0
123.06378	0.6
123.07993	4.0
123.09129	2.8
123.11635	0.5
123.29311	0.4
126.59463	1.6
127.03836	0.4
128.02338	2.3
131.01820	0.6
132.06557	1.4
133.06537	0.8
133.07582	1.2
134.05998	0.5
134.99672	0.5
136.05206	0.5
137.02843	1.1
139.53064	0.4
141.02705	1.2
142.03430	0.5
146.99643	0.6
150.02780	9.4
150.05489	100.0
150.07716	10.3
150.09088	3.8
150.10242	7.2
150.12785	1.8
150.96890	0.7
151.03943	2.5
151.05876	3.3
151.07455	2.7
151.08635	0.7
151.09808	0.8
151.11163	1.4
154.03452	0.8
158.01314	0.5
168.06544	13.0
169.06931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03931	1.9
55.05503	4.3
65.03938	26.5
67.02978	4.5
67.05476	2.4
68.62141	1.1
69.07063	7.2
71.64741	1.0
71.65113	1.3
79.05489	10.7
81.07055	15.0
91.05473	6.3
93.03382	6.8
93.07043	39.0
94.07396	1.2
95.04964	2.6
95.08611	3.5
98.03683	1.8
105.07020	3.1
107.08592	24.5
108.06831	1.5
109.06420	1.4
110.08452	1.4
111.04438	9.5
121.02863	39.0
121.03956	6.6
121.10126	12.8
122.03221	2.5
122.07137	4.0
127.68876	1.0
149.02339	100.0
149.08208	4.8
149.09518	2.6
149.13254	20.1
150.02670	6.9
150.05527	1.9
150.10246	1.9
167.03453	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	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.09459	1.2
52.80268	1.5
53.03936	4.6
55.01867	3.4
55.05505	12.5
57.71333	1.2
65.03601	2.0
65.03932	28.6
67.05497	37.1
69.07059	22.5
69.45901	13.0
69.81975	1.3
79.05486	64.8
80.05846	1.3
81.03403	3.8
81.07048	92.2
82.07376	4.2
83.08627	6.1
91.05474	28.2
92.06271	1.7
93.03398	8.9
93.07033	100.0
94.07370	4.6
95.04957	10.1
95.08600	14.9
98.03667	2.4
103.05489	3.0
105.04477	1.4
105.07015	9.4
107.04943	50.7
107.08582	75.1
108.04457	1.6
108.05245	3.0
108.08921	2.9
109.06481	2.1
111.04414	6.1
116.06203	1.6
119.06080	1.5
119.08598	1.9
120.05711	6.7
121.02856	39.9
121.03957	5.5
121.06489	5.5
121.10130	30.6
122.03182	2.6
122.10538	1.8
131.08537	2.6
149.02332	93.6
149.05968	3.9
149.09605	38.9
149.13242	79.2
150.02660	5.7
150.03683	2.0
150.05495	3.5
150.07709	2.3
150.10043	2.2
150.13615	4.4
167.03363	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	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03930	3.1
55.01847	1.7
61.06660	0.9
65.03929	13.3
67.05460	1.5
69.03420	5.4
70.61283	2.8
70.61609	1.0
79.05480	14.1
81.07055	2.2
91.05472	42.9
92.05782	2.1
93.03392	4.0
93.07035	24.3
95.04939	4.8
98.03594	1.1
100.62576	1.1
103.05447	6.5
103.22733	0.9
105.07019	34.4
106.07824	2.4
107.04922	1.2
107.08579	3.8
108.11263	1.1
109.06495	4.0
110.08413	1.3
111.04406	3.3
115.05448	5.9
116.06239	19.6
119.08574	6.7
121.02855	19.5
121.03954	2.8
121.06503	18.4
121.10130	37.9
122.07129	1.1
122.10455	2.3
123.08079	7.1
128.06247	1.2
129.07001	8.3
131.08560	25.0
132.08847	1.3
133.06529	2.1
133.07576	2.4
134.07251	4.2
145.26471	0.9
146.84375	0.9
147.08044	3.6
149.02336	55.1
149.05965	2.4
149.09604	100.0
150.02654	3.3
150.05504	1.6
150.07678	1.3
150.09952	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03931	2.1
55.01855	2.1
55.05519	5.2
57.07074	1.3
65.03941	31.3
67.05507	12.3
69.07063	10.0
69.31433	9.9
79.05491	21.1
81.07054	37.8
83.08620	2.0
91.05467	10.7
93.03419	6.9
93.07039	40.5
94.06566	0.9
94.07352	1.6
95.04966	4.1
95.08602	7.5
98.03703	1.5
103.05474	2.7
105.03400	1.3
105.04455	1.1
105.07029	6.6
107.04969	1.1
107.08595	31.5
108.04491	2.1
108.08897	1.4
109.06495	1.9
111.04453	6.5
118.25153	0.8
119.08543	1.7
121.02863	38.9
121.03981	7.4
121.06512	3.5
121.10146	14.1
122.03191	2.9
122.07250	1.0
122.10514	1.0
131.04961	2.1
131.08597	2.1
149.02341	100.0
149.05962	3.2
149.08461	1.6
149.09633	9.3
149.13263	31.4
150.02686	7.6
150.05492	3.5
150.07799	2.1
150.09064	1.5
150.13643	1.1
167.03441	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.56242	1.1
55.01861	2.1
55.05487	1.6
58.77628	1.0
65.03928	8.9
65.04542	0.9
69.03426	3.0
69.89253	7.7
79.05490	11.2
81.07053	1.2
91.05473	35.6
92.05785	1.5
93.03377	2.5
93.07041	17.9
95.04945	3.8
101.79346	0.9
103.05454	5.8
103.80446	1.0
105.06378	1.9
105.07025	27.9
106.07815	2.3
107.04921	2.1
107.08587	3.4
109.06522	4.8
111.04438	1.9
115.05455	4.8
116.06229	12.4
117.06541	1.2
119.08564	6.0
121.02857	12.3
121.03989	2.1
121.06503	14.8
121.10127	36.0
122.10455	2.4
123.08041	6.2
129.06978	5.1
131.04893	1.4
131.08548	22.0
133.07530	1.5
134.07178	2.4
147.08023	3.8
149.02336	28.7
149.09605	100.0
150.02673	2.5
150.05484	2.4
150.09961	7.3
157.20114	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
54.52514	1.0
55.05503	14.4
60.04518	3.1
65.03919	2.7
67.05499	2.0
69.07052	3.9
69.70414	8.7
72.04474	1.3
79.05479	6.6
81.07069	1.6
82.06549	1.2
83.06881	5.3
84.04482	5.7
84.08125	1.3
85.02341	1.3
85.02856	1.9
88.03983	17.6
91.05470	52.6
92.05809	3.4
93.07017	4.2
95.04980	1.7
100.07607	3.4
101.07934	14.1
102.05537	9.1
103.05450	4.3
105.07021	99.1
106.07347	4.3
107.04945	1.7
107.08583	2.9
117.07010	8.6
118.07804	1.3
119.04930	17.6
119.08568	100.0
120.04453	2.0
120.05292	1.9
120.08897	5.2
122.56015	1.1
123.96471	1.7
129.07004	1.5
130.06458	1.4
131.08539	2.2
132.09338	4.8
145.10133	9.5
147.04440	20.5
147.05521	4.7
147.06541	1.3
147.08308	8.0
147.11670	83.2
148.03885	4.9
148.04903	1.9
148.07533	1.6
148.08614	1.4
148.12024	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	149.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01859	3.0
56.05004	1.2
56.96552	3.1
58.06561	0.8
63.02357	1.8
65.03935	29.2
66.04240	1.4
68.05022	1.0
71.62077	1.1
72.04493	1.0
72.08140	0.8
78.04704	3.9
79.05492	4.0
80.05012	2.3
81.03403	1.5
81.07040	1.2
82.06556	0.9
84.08129	0.9
89.03912	29.3
90.04229	1.1
91.05482	7.1
93.03397	9.1
93.07038	6.2
94.06551	1.6
95.04962	3.3
95.06065	1.5
96.04427	0.8
96.13435	0.8
98.03663	2.3
103.05460	5.7
105.03384	2.0
105.07018	4.6
106.04171	2.8
107.04948	2.2
107.08585	3.2
108.04456	3.9
109.06562	0.9
109.07635	3.1
110.08420	4.6
111.04456	7.4
117.03370	17.3
121.02856	45.8
121.03958	8.4
121.06477	6.2
121.10107	1.7
122.03099	1.8
122.06009	0.9
122.07136	2.7
122.09663	4.5
123.07952	1.7
123.09180	2.0
124.05188	2.9
126.59488	0.9
131.04886	3.0
131.08553	1.0
134.03621	8.0
135.04424	4.9
139.72684	0.8
149.02335	100.0
149.03351	3.8
149.05972	35.9
149.06938	1.3
149.08224	3.1
149.09537	7.1
150.02675	5.9
150.03716	1.6
150.05402	6.0
150.06471	2.0
150.09117	3.6
150.10263	5.3
150.12747	7.5
150.22923	0.8
167.03430	2.4
169.03491	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	147.0435
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05489	1.9
56.96561	14.4
57.03421	1.5
65.03930	6.6
70.64805	2.3
70.65148	2.1
71.04951	1.8
72.04530	1.3
72.08143	5.0
73.08488	2.5
74.02425	1.8
81.03415	2.9
82.06552	2.2
83.06901	5.5
84.04498	6.3
84.08117	10.1
85.02886	1.9
85.06516	2.5
90.55546	1.3
91.05476	80.8
92.05817	4.0
94.95288	1.4
97.02875	1.6
98.21453	1.5
98.97575	3.8
99.57762	1.5
100.02499	2.5
100.07599	3.1
101.07932	13.5
102.93953	1.3
105.07081	1.3
116.98614	2.7
119.04936	100.0
120.05294	4.8
120.08080	1.4
124.52544	1.6
126.02553	2.8
130.08664	2.3
147.04402	48.5
147.08441	6.2
148.04816	2.2
150.71619	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	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.71485	0.8
53.52264	0.8
65.03925	7.9
70.14996	2.6
70.15406	1.9
72.08157	1.4
83.06896	2.4
84.04492	1.8
91.05477	82.7
92.05829	5.4
95.04974	1.1
97.28677	0.8
98.20874	1.1
100.07607	1.3
101.07966	5.7
102.05542	1.0
105.07040	1.5
118.06501	0.9
119.04939	100.0
119.06803	9.4
119.08583	1.8
120.04525	1.1
120.05281	5.1
129.05312	3.1
146.06068	1.2
147.04413	57.0
147.06284	10.5
147.08240	2.0
148.03778	1.3
148.04814	2.1
148.07581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05505	1.7
65.03927	8.1
69.65253	1.2
69.65658	6.2
79.05484	1.5
82.06569	1.6
83.06890	2.9
84.04483	2.7
84.08104	0.9
91.05471	87.9
92.05793	4.2
95.04969	0.9
100.07592	2.1
101.07347	1.6
101.07932	9.0
103.05443	1.0
103.36108	1.0
105.07028	15.7
107.08553	1.2
108.03760	0.9
111.62829	0.8
116.64240	0.8
117.06998	2.7
119.04932	100.0
119.08562	24.0
120.04488	1.4
120.05223	4.7
121.07594	1.0
123.96474	1.1
129.06964	0.9
132.09293	1.2
145.10120	1.9
147.04402	63.4
147.05388	2.7
147.08298	4.5
147.11671	18.6
147.92624	1.0
148.03862	2.1
148.04813	3.5
148.07571	1.2
148.12065	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	146.0811
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
53.37398	0.2
55.05505	4.0
59.04995	0.8
61.59660	0.2
67.04237	0.6
71.25210	0.6
72.08147	4.0
76.54819	0.3
82.06572	35.2
83.04977	1.3
83.06903	0.9
84.04506	1.8
84.08133	3.0
86.06037	0.8
87.04460	0.7
92.52602	0.3
100.07606	100.0
101.06012	3.9
101.07337	0.5
101.07919	2.3
112.11195	0.5
128.07066	2.7
128.10684	0.9
130.04939	0.7
146.08104	34.5
146.11765	3.0
147.08493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.05507	44.9
56.04996	1.2
56.05834	1.1
59.04996	10.3
60.05636	5.1
67.04244	1.0
71.55570	1.8
72.08144	2.4
82.06573	31.5
83.04974	19.9
84.05328	0.9
84.08135	31.0
85.06541	2.2
86.06059	13.7
86.08279	0.8
87.04461	18.3
87.06378	1.1
100.07610	100.0
100.11240	2.1
101.06007	61.9
101.07933	2.9
102.06324	1.3
104.07102	3.3
105.44335	0.8
111.05531	2.0
116.52396	0.9
119.82518	0.8
128.07083	3.4
128.08163	2.4
128.10709	16.6
128.30011	1.0
134.49738	1.0
146.08099	38.5
146.09241	12.7
146.11745	48.4
147.08459	1.1
147.12068	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.05505	1.1
56.05037	0.7
65.03925	0.8
70.56046	1.5
70.56441	1.3
72.08142	3.9
82.06573	19.6
82.07068	1.2
83.04994	0.7
84.04514	0.7
84.08137	0.9
91.05472	22.7
95.04966	0.6
100.07607	46.2
101.07972	0.9
103.05474	0.8
117.05744	5.0
118.06533	87.8
119.04944	6.7
119.06854	3.3
128.04962	20.7
128.07076	2.8
129.05266	1.1
135.33597	0.6
146.05998	100.0
146.07997	16.8
147.04460	3.8
147.06342	4.2
152.12032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.081
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
50.49868	0.3
56.17237	0.3
67.04237	0.8
69.33842	0.3
70.88493	0.5
70.88802	0.5
72.08137	0.9
82.06575	36.7
83.06908	0.8
100.07610	100.0
101.07928	2.7
127.95769	0.3
128.07088	2.7
129.78845	0.4
134.03169	0.3
146.08113	36.0
147.08443	1.2
153.35597	0.4
161.83299	0.3
164.36600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01622	2.0
55.01870	27.6
57.03421	3.9
59.36411	1.0
62.92979	1.9
69.03426	1.9
69.31489	5.3
69.31923	4.7
71.01350	44.0
71.04990	8.9
72.01678	1.1
75.04467	7.7
76.66697	0.9
81.03423	2.1
82.06575	15.4
83.04967	1.1
85.02418	1.8
85.02898	24.6
86.06052	1.1
88.12759	1.0
91.05445	2.3
97.02872	2.8
99.04451	16.1
100.06963	2.2
100.07609	40.7
101.02373	100.0
102.02707	2.2
105.07032	3.4
112.98484	0.9
115.05426	1.1
117.07008	2.7
118.06565	2.0
121.96642	4.5
127.03915	5.6
128.07076	2.6
130.07777	3.3
140.40407	0.9
145.04976	4.2
145.06487	1.9
145.10126	6.3
146.06015	2.2
146.08121	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	145.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	24.1
57.03432	3.6
59.69140	1.3
62.92965	2.9
69.03403	1.8
69.32794	15.2
69.33205	2.7
71.01349	43.3
71.04984	5.4
75.04469	7.1
82.06571	17.5
82.27773	1.5
85.02901	24.9
91.05429	2.3
91.44792	1.3
94.58540	1.4
95.11483	1.4
97.02848	1.9
99.04453	13.8
100.07613	42.1
101.02374	100.0
102.02701	2.8
105.07014	4.1
117.07000	2.7
118.06537	2.0
121.96635	5.4
126.48295	1.6
127.03889	3.6
130.07805	3.2
145.04950	1.9
145.10109	7.3
146.06084	2.2
146.08099	18.1
147.59985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84336	0.2
55.05500	0.3
56.05028	1.2
56.96557	0.9
57.03416	0.3
58.06584	0.5
67.04157	0.2
67.05502	0.5
69.03429	0.3
70.06586	3.6
71.04975	0.3
71.62232	0.3
79.89352	0.2
81.03397	0.3
81.07045	0.3
82.06572	0.2
83.00731	0.2
84.08134	100.0
85.02876	0.4
85.08453	2.5
96.08099	0.2
98.09682	69.1
98.97591	0.3
99.04453	0.6
99.10007	1.9
121.03483	0.4
121.44743	0.2
121.61495	0.4
127.03909	0.3
138.30907	0.2
144.10182	46.6
144.61801	0.4
145.10539	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	145.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01868	26.6
57.03429	3.3
62.92977	2.6
69.35198	11.4
71.01352	41.9
71.04993	6.1
75.04463	8.5
81.03413	2.6
82.06579	21.3
85.02412	1.9
85.02899	22.3
92.59460	0.9
97.02886	2.5
97.10229	1.0
98.20650	2.1
99.04439	16.0
100.07614	51.9
101.02376	100.0
102.02743	1.0
105.07011	4.6
117.06985	3.8
118.06548	2.2
121.96638	4.0
122.65808	1.1
127.03901	4.7
128.07034	2.4
130.07779	3.2
145.04988	4.0
145.10150	7.2
146.06067	1.7
146.08104	20.4
159.90216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.021
Annotation	4-Chlorophenylhydroxylamine
Peak:m/z	Relative Intensity
50.01605	0.2
51.02374	0.3
53.03943	1.2
55.01869	0.3
56.05030	0.6
56.84632	0.1
57.03441	0.4
57.04540	0.2
58.06605	0.3
59.06121	2.0
60.04517	0.6
60.07889	0.2
68.99797	0.1
69.03421	0.5
69.46860	0.6
69.47290	0.9
70.06587	1.2
70.48391	0.2
71.04981	1.1
74.06056	0.1
74.12723	0.2
78.03445	12.0
79.03776	0.2
80.04552	0.3
80.05010	5.7
81.03403	0.7
82.06550	0.2
84.04504	0.6
84.08133	2.7
85.02908	1.9
85.04047	0.5
85.07648	0.4
86.06055	0.6
91.04156	0.2
96.04484	1.8
97.00815	0.2
97.02881	0.5
98.06037	1.5
98.09682	1.1
99.04445	3.8
99.05558	0.5
100.05105	0.2
101.07130	1.1
102.96859	0.3
109.07613	1.0
111.07947	0.4
114.01058	0.6
116.07093	0.3
117.07004	0.6
120.97858	0.2
121.00808	0.2
121.96648	0.2
126.05505	32.9
127.01839	0.6
127.03890	0.7
127.04990	0.3
127.05849	1.0
127.08631	0.5
130.07770	0.2
138.98898	0.3
139.01811	0.5
142.47861	0.2
143.07306	0.4
144.02101	100.0
144.06503	1.3
144.08051	5.1
144.10054	1.0
144.11247	0.3
145.02463	3.7
145.04988	0.3
145.06480	0.4
145.08441	0.3
145.10031	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	144.1019
Annotation	(E)-4-(Trimethylammonio)but-2-enoate
Peak:m/z	Relative Intensity
50.29342	0.3
56.05022	0.6
56.96558	3.3
57.03434	0.4
60.95845	0.3
61.02916	0.6
70.06590	2.4
70.18893	0.7
70.19292	0.7
70.98117	0.4
71.05006	0.6
81.07021	0.4
82.06577	0.6
84.08139	100.0
84.96011	0.3
85.08472	2.7
85.91838	0.3
98.09689	39.1
98.97575	1.1
99.10039	1.3
116.98620	1.1
120.02023	0.4
120.97943	0.3
121.01628	0.5
123.50240	0.3
134.99654	0.4
144.10188	35.1
145.10522	1.2
148.48523	0.4
152.40187	0.3
162.92657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0545
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
51.02372	1.1
53.00291	1.4
53.03703	1.7
53.03946	28.5
54.04279	1.6
55.01865	6.5
55.05508	9.6
56.05022	1.9
56.29166	0.8
56.96554	4.5
57.03427	3.6
65.03943	1.6
67.01851	1.4
67.05508	5.7
68.05013	3.3
68.99783	1.5
69.03416	2.2
69.07046	0.9
69.65967	1.3
69.66380	5.3
70.06583	2.7
71.04988	16.2
73.02911	1.3
74.83704	0.9
76.65559	0.8
79.05503	1.0
81.03413	100.0
81.07016	2.2
82.03739	2.5
82.04178	1.1
82.06566	1.7
83.01332	3.6
83.04951	2.2
84.08121	1.1
85.02883	4.6
85.06541	11.5
87.04426	0.8
95.01320	8.8
95.04963	21.7
95.06046	1.3
95.08015	0.8
95.08594	2.8
96.04485	14.6
96.05141	1.5
96.08147	3.5
97.02895	5.1
97.06509	1.8
98.03664	9.1
98.06049	1.1
98.97581	1.3
99.04445	3.4
99.53447	1.1
100.02452	4.2
100.07632	1.1
101.00869	1.5
101.02529	1.1
102.02244	1.2
103.02387	1.3
109.02125	1.1
109.02876	19.7
110.01312	1.1
111.04440	2.0
112.05260	1.3
113.02355	12.2
113.05997	25.3
114.05513	1.4
114.06257	1.1
114.09153	1.1
116.05799	1.2
116.98601	1.4
118.01146	1.7
118.03503	5.0
119.01900	7.5
119.03683	1.5
121.01718	0.8
123.00785	16.3
123.04420	6.3
124.04025	2.0
126.03125	1.1
127.03925	2.0
128.21893	1.0
131.01938	2.2
134.99712	1.4
135.99962	1.0
136.04498	0.8
137.02953	4.9
141.01819	19.4
141.02782	1.6
141.03731	1.3
141.05463	22.6
141.06532	1.7
141.10193	2.1
142.02257	1.0
142.03484	4.8
142.04990	2.4
142.08647	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77982	4.8
70.83761	16.8
71.47649	4.6
101.00839	9.8
119.01923	100.0
120.01987	8.8
122.35183	5.1
130.68843	4.8
135.28801	4.7
136.04562	5.4
137.02974	52.5
137.50000	15.4
138.02885	4.8
140.00282	5.0
142.03499	48.1
143.03539	6.0
145.48877	4.5
149.00800	12.4
160.04556	17.7
164.22931	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	29.7
69.94135	2.8
71.95241	3.3
98.20824	0.8
98.97578	90.7
99.97925	0.7
101.41453	0.7
116.98613	100.0
117.98945	1.2
134.99648	71.8
140.00188	2.3
140.07059	1.6
140.08170	1.5
143.08073	0.6
153.00687	14.1
158.01228	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	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03454	3.8
56.05030	17.8
56.96292	2.0
56.96558	28.3
57.04535	1.3
57.93563	1.5
58.06588	1.2
59.06108	4.3
60.04504	1.8
67.02980	2.3
67.05465	1.3
68.05006	3.6
68.65182	1.1
69.04538	1.9
70.06570	3.2
70.28186	2.8
70.28606	3.5
71.06098	4.0
71.95235	4.0
72.04496	3.2
72.08134	1.8
80.04944	1.3
81.04535	8.5
82.02896	1.6
82.05307	1.8
83.06089	11.9
84.04484	7.5
93.08925	1.0
94.06567	1.7
95.06075	11.7
96.04481	1.9
96.05605	8.2
97.06389	4.2
97.07630	1.9
98.06097	1.3
98.07171	11.0
98.97572	71.8
99.05558	13.6
100.06327	2.6
113.02242	1.2
113.07116	10.8
116.97220	4.0
116.98602	100.0
117.98918	2.2
122.07124	8.2
123.05527	15.3
123.09152	2.0
134.99643	96.6
140.00169	3.3
140.03424	2.9
140.07123	2.0
140.08163	39.0
140.11725	1.4
141.01823	3.2
141.06516	2.7
153.00705	22.5
158.01222	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	138.0913
Annotation	Tyramine
Peak:m/z	Relative Intensity
52.39127	0.3
53.03935	1.0
54.03458	0.5
55.01863	1.2
55.05486	0.6
56.05025	0.7
56.96326	0.4
56.96562	4.5
61.02897	0.3
65.03942	1.7
67.05499	1.4
68.05009	0.4
69.03409	0.4
69.04542	0.5
69.63648	2.3
70.02953	0.5
72.04505	0.4
72.08148	0.7
77.63456	0.3
79.05479	1.4
80.05045	0.5
81.04490	0.7
81.05795	0.3
81.07059	0.4
82.06567	1.0
83.05014	0.6
83.06092	1.8
84.04473	0.6
84.08118	0.5
91.05479	4.8
92.05047	0.5
92.05798	0.6
93.03384	0.6
93.04578	0.4
93.07037	10.3
94.02953	0.3
94.06547	2.1
94.07384	0.5
95.04427	0.5
95.04973	3.9
95.06081	0.7
96.04493	0.4
97.02898	0.4
97.04006	0.6
97.06512	0.7
97.07632	1.0
98.04781	0.7
98.07180	0.4
98.20763	0.3
98.97572	0.4
98.98463	1.1
103.05459	8.1
105.04507	0.5
110.06059	2.7
110.06714	0.5
110.09686	0.4
111.04428	4.4
111.05558	2.2
111.09183	0.7
112.08720	0.3
120.04474	0.8
120.05572	1.3
121.02860	4.4
121.06496	100.0
122.06813	4.4
138.01753	0.9
138.05493	14.2
138.06583	4.1
138.09129	2.6
138.10248	2.5
139.03891	2.0
139.05827	0.6
139.07573	0.5
139.08630	0.5
139.09735	0.8
139.11174	0.7
150.81422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78284	0.6
53.03934	2.1
54.03454	0.7
55.01853	0.9
55.05502	1.9
56.05009	1.3
65.03936	1.5
66.04701	1.1
67.05502	24.5
68.05022	0.7
69.03413	1.0
69.04549	1.4
69.07048	1.5
70.09894	1.4
70.10301	2.9
70.39655	0.6
72.04506	1.2
79.05495	6.0
80.05013	0.9
81.03407	2.0
81.04538	2.2
81.07055	11.8
82.06573	2.1
83.06065	0.9
91.05473	11.8
93.07040	5.7
94.04182	12.8
94.06560	2.2
95.04479	0.7
95.04979	5.8
95.06083	1.5
95.08036	1.0
95.08607	12.3
96.04475	1.1
96.05630	1.1
97.06385	4.9
97.07655	1.0
98.04800	1.1
103.05435	0.7
107.04947	14.2
107.08630	1.2
109.06510	5.7
109.10152	27.7
110.06039	2.1
110.07173	3.5
110.10506	1.0
111.05582	1.6
117.07004	1.3
119.04956	1.3
119.08581	12.1
120.04484	1.4
120.05553	0.6
121.06506	6.4
122.03654	17.6
122.07281	62.6
123.07619	1.9
135.08046	2.9
137.02432	8.9
137.04848	1.2
137.05965	50.6
137.08275	2.9
137.09608	100.0
138.01765	1.5
138.05484	12.7
138.06505	3.8
138.09103	1.1
138.10030	4.2
139.07576	0.7
143.98412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03935	0.3
54.03462	0.4
55.01860	0.4
55.05517	0.4
56.03770	0.2
56.05026	0.7
56.96288	0.4
56.96562	5.9
57.62159	0.2
58.06597	0.2
65.03935	1.5
66.49316	0.2
67.05503	1.5
68.05024	1.2
69.03408	0.5
69.04546	0.8
69.07042	0.2
70.02927	0.3
70.06580	0.6
72.04514	0.9
78.03442	1.5
79.04221	1.0
79.05472	0.3
80.05011	1.2
81.04517	0.7
82.05358	0.2
82.06568	1.6
82.07360	0.2
83.04970	0.5
83.06096	1.3
84.08164	0.2
86.84675	0.2
91.02410	0.2
91.05476	0.3
92.04996	0.5
93.03379	0.2
93.04469	0.3
93.07043	0.7
94.06555	1.3
95.05003	1.0
95.06094	1.0
95.08563	0.2
96.04485	13.1
97.04001	0.5
97.04800	0.5
97.06492	0.5
97.07652	1.2
98.04791	0.8
98.07194	0.4
98.98476	0.9
106.02898	0.4
108.04476	3.6
108.05190	0.1
109.05288	0.2
109.07625	0.2
110.02389	0.2
110.06036	1.8
110.07135	0.3
111.03187	0.3
111.04438	2.4
111.05566	2.1
111.09213	0.5
112.08746	0.4
116.00236	0.2
117.80736	0.2
120.04449	0.6
120.05583	0.9
121.02869	0.6
121.03996	0.4
121.06503	0.4
121.07624	1.0
122.07126	0.4
122.94582	0.2
123.03921	0.3
123.06789	0.5
124.03951	2.7
138.05498	100.0
138.09102	1.4
138.10239	2.1
139.04062	1.1
139.04929	0.4
139.05861	4.5
139.07526	0.6
139.08720	0.3
139.09760	1.3
139.11163	0.4
147.34137	0.2
154.04984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.48602	0.2
53.48743	0.2
55.05515	0.2
56.96546	0.6
65.03934	0.4
67.05489	0.6
69.43932	0.2
69.44235	1.8
72.08163	0.2
92.05003	1.6
93.05755	0.4
94.06563	11.0
95.06899	0.4
96.04485	1.8
98.20720	0.2
110.06035	9.3
111.06303	0.3
121.05138	0.2
122.49787	0.2
138.05493	100.0
139.05853	4.0
154.04950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03928	1.4
54.03461	1.0
55.01871	1.2
55.05497	1.5
57.94229	0.6
60.99152	0.8
65.03926	1.2
66.04694	1.3
67.05499	19.5
69.03421	0.9
69.07066	1.0
71.62677	1.0
72.04511	0.9
79.05482	3.9
81.03419	1.2
81.04533	1.3
81.07056	10.3
82.06570	0.8
91.05475	10.5
93.07032	3.1
94.04178	11.9
94.06550	1.3
95.04978	4.5
95.08601	8.2
96.05579	0.8
97.06376	2.3
105.04498	0.8
107.04948	10.5
107.08560	1.0
109.06482	3.4
109.10145	28.4
110.06055	1.4
110.07156	3.1
110.10439	1.0
117.07046	1.4
119.08566	10.0
121.02827	0.8
121.06487	6.2
122.03648	19.1
122.07276	66.9
123.03980	1.3
123.07568	1.7
135.08061	3.3
135.14963	0.7
137.02510	3.6
137.05956	41.4
137.09605	100.0
138.05484	6.1
138.06517	2.9
138.09062	1.4
138.09917	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22588	0.6
51.66111	0.6
53.03935	1.8
54.53791	0.6
55.01877	0.8
55.05500	1.5
56.03741	0.8
56.41032	0.6
57.07064	0.8
57.76923	0.7
65.03931	1.2
66.04713	1.9
67.05502	19.5
69.03419	1.3
69.07067	1.3
71.63062	0.8
77.03918	1.1
78.47181	0.7
79.05485	6.6
81.03400	1.3
81.07053	12.9
82.04617	0.6
82.06594	0.6
82.29124	0.6
82.32745	0.7
86.36136	0.6
91.05484	9.9
92.05830	1.0
93.07044	3.9
94.04183	25.7
94.06536	0.8
95.04478	0.8
95.04976	5.3
95.08604	12.5
96.04465	1.0
102.00704	0.6
105.03372	0.7
107.04943	10.0
107.08549	1.0
109.06528	3.8
109.10149	22.6
110.06043	1.9
110.07133	1.4
110.10524	0.9
117.07048	0.6
119.08576	8.9
120.04406	1.2
121.02854	1.0
121.06498	4.0
122.02721	1.0
122.03642	42.0
122.07278	50.3
122.10959	0.8
123.03952	2.1
123.07624	1.2
135.04356	1.0
135.08040	2.5
137.02516	4.5
137.05966	100.0
137.08112	4.2
137.09604	76.5
137.13226	2.0
138.05464	8.5
138.06386	4.6
138.09065	1.5
138.09984	3.8
144.66196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
54.03460	1.1
55.01856	2.4
55.05499	2.4
56.51500	0.9
57.07060	0.9
65.03941	2.3
66.04726	2.0
67.05500	25.8
68.05025	2.1
69.03404	1.8
69.04536	2.4
69.07068	2.1
69.81070	5.4
70.69818	0.9
72.04514	2.8
77.03904	1.3
79.05498	7.5
81.03407	3.9
81.04530	2.7
81.07050	17.6
82.06558	3.3
83.06092	1.9
91.05481	13.5
93.07050	7.6
94.04184	17.3
94.06563	2.9
94.07829	1.1
95.04971	7.2
95.06080	1.4
95.08601	17.7
96.04504	1.8
96.05609	1.9
97.03987	0.9
97.06406	6.8
98.04797	1.9
98.21520	1.0
103.05456	1.6
107.04952	17.0
107.08559	1.6
109.06516	7.9
109.10147	31.7
110.06014	3.5
110.07159	8.1
110.07865	1.4
110.10432	1.8
111.05571	2.1
117.07041	2.0
119.04949	2.2
119.08580	14.0
120.04437	1.8
121.06508	5.1
121.07597	1.4
122.03640	26.1
122.07282	63.4
123.03972	1.8
123.07614	2.3
128.82486	1.1
135.08055	2.6
137.02489	9.4
137.05959	69.0
137.08243	4.9
137.09607	100.0
138.01697	2.1
138.05486	19.3
138.06517	7.3
138.09087	2.3
138.10088	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	0.2
53.03947	0.5
55.01868	0.5
65.03938	0.7
66.04714	3.3
67.05495	0.5
69.98940	0.4
69.99355	0.7
77.03921	0.5
79.05490	3.4
81.07053	1.4
88.92374	0.2
91.05473	3.2
92.05826	0.2
94.04182	27.6
95.04498	0.8
95.05037	1.2
95.08607	0.3
102.01670	0.2
105.03387	0.7
105.04540	0.2
107.04943	1.4
109.06505	1.0
110.06014	0.2
122.03641	50.2
123.03986	1.9
128.13573	0.2
135.04402	0.4
137.05969	100.0
138.01720	0.2
138.05476	0.5
138.06326	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	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.5
53.03917	0.4
53.16482	0.3
54.01413	0.3
55.01855	0.4
59.71811	0.3
65.03924	0.8
66.04718	3.0
67.05486	0.4
69.31545	1.8
69.31981	1.8
77.03933	0.4
79.05481	2.1
81.07043	1.6
91.05478	2.7
94.04176	23.9
95.04467	0.6
95.04957	1.0
95.08547	0.3
98.21521	0.7
105.03381	0.4
107.04953	1.2
109.06530	0.6
122.03635	44.7
123.03986	1.9
135.04385	0.9
137.05965	100.0
138.06299	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	136.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74281	0.2
55.02980	0.2
67.02979	0.2
70.31435	0.6
73.75928	0.1
74.06083	0.3
74.33919	0.1
78.48689	0.1
82.13819	0.2
91.05480	0.2
92.02469	0.2
94.04039	2.4
109.05106	0.4
112.05099	0.4
119.02002	0.3
119.03536	5.8
119.04847	0.2
120.03851	0.2
131.01909	0.3
136.06175	100.0
137.04588	4.8
137.05643	0.2
137.06630	2.5
149.56766	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	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02977	0.1
56.96553	0.1
66.02212	0.0
67.02970	0.2
70.33921	0.1
82.04075	0.1
88.07600	0.1
91.05486	0.2
92.02486	0.2
94.04047	2.2
95.04408	0.0
109.05125	0.5
112.05084	0.3
118.03433	0.0
119.03540	5.5
119.04939	0.1
120.03868	0.1
136.06174	100.0
137.04588	4.8
137.06621	2.5
138.04973	0.2
142.03311	0.0
151.27277	0.0
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
52.55394	0.2
53.03933	0.5
54.03469	0.2
55.05507	0.2
55.42229	0.2
55.69802	0.2
56.96563	0.7
58.06573	0.2
60.69538	0.2
65.03934	0.8
67.02990	0.3
67.05507	0.9
68.05025	1.8
69.03417	0.4
69.04542	0.4
70.06587	0.3
70.16644	0.4
70.17043	0.4
73.67287	0.2
74.06063	0.3
79.03007	0.2
79.05499	0.9
80.05007	0.9
81.03434	0.4
81.04536	1.6
81.07048	1.5
82.06586	0.5
83.06094	0.2
88.85872	0.2
90.04233	0.3
91.05475	30.4
92.01270	0.2
92.04984	0.3
92.05809	0.8
93.04514	0.2
93.07053	1.9
94.04070	2.9
94.06567	0.7
95.04970	1.2
95.05531	0.2
95.06071	1.3
95.08598	0.8
96.05616	0.4
96.06866	2.1
97.06400	1.3
100.07515	0.2
107.04952	1.2
107.06105	0.2
108.04492	0.6
108.05282	0.3
108.08147	1.0
108.08807	0.2
109.01089	1.6
109.05261	0.9
109.06506	2.3
109.07629	2.4
109.10188	0.3
110.07172	1.2
112.05081	0.6
113.05911	2.0
118.06545	2.1
119.03574	5.0
119.04927	9.5
119.06010	0.5
119.08580	0.3
120.05308	0.4
122.03690	1.1
122.07263	0.3
133.57207	0.2
136.02164	24.5
136.06178	100.0
136.07541	13.2
136.08638	3.2
136.11227	0.8
136.60930	1.4
137.02466	1.6
137.04576	5.8
137.05969	3.8
137.08066	1.6
137.09662	0.9
137.10629	0.4
138.04880	0.2
144.39174	0.2
152.27020	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	2.4
55.05497	6.7
57.07069	1.0
65.03936	1.1
67.05489	2.2
68.05000	2.2
69.07051	1.6
71.11681	2.5
79.05485	19.1
81.07082	1.5
87.05565	1.5
91.05474	45.3
93.07041	46.4
95.04961	6.7
96.06850	1.5
105.07023	23.3
107.04951	1.5
107.08588	100.0
108.08915	3.4
109.06491	9.3
109.07634	1.5
109.20768	1.0
115.05456	1.3
117.06998	2.3
119.06054	3.4
119.08574	19.0
120.09389	6.3
133.10176	1.6
135.04413	2.2
135.08078	6.4
135.11682	41.4
136.02161	16.4
136.03876	1.0
136.06184	18.4
136.07254	1.7
136.07602	1.1
136.08659	2.2
136.12070	1.6
137.09605	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	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.79229	0.8
53.03928	3.7
55.05284	1.0
55.05513	8.6
57.07066	1.0
65.03938	2.3
67.05486	2.0
68.05016	3.8
69.07060	2.3
70.43044	1.8
70.43456	2.6
74.49283	1.0
79.05485	18.7
80.05032	0.9
81.07046	3.6
87.05562	1.1
89.15258	0.9
91.04896	2.1
91.05477	39.9
93.07038	53.3
94.07353	1.4
95.04957	8.1
95.06084	1.5
96.06871	2.0
99.70509	0.9
105.04500	0.9
105.07027	20.0
107.04936	3.3
107.08591	100.0
108.08917	3.8
109.01119	1.2
109.06501	8.7
109.07623	2.6
115.05421	1.1
117.06996	3.2
119.06090	2.4
119.08589	15.4
120.09335	4.0
133.10124	2.2
135.04411	3.2
135.06561	1.0
135.08090	6.6
135.08955	1.0
135.11684	39.0
136.02165	32.9
136.03844	1.2
136.06172	27.4
136.07527	2.3
136.08650	3.4
136.12048	1.4
137.04616	1.0
137.09616	1.1
146.36197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03934	1.8
55.01873	7.8
55.05490	1.5
56.11857	0.7
56.96552	1.3
65.03942	4.3
67.05502	3.8
69.03426	9.8
69.07040	1.0
71.63605	0.8
71.63989	0.8
79.05489	29.0
80.05009	0.8
80.05791	1.1
81.07055	1.2
83.57381	0.7
91.05476	55.3
92.05772	1.4
92.06280	1.2
93.07037	13.6
94.04052	1.0
95.04971	5.9
105.07026	19.0
107.04944	7.6
107.08585	48.8
108.04491	1.3
108.08115	1.2
108.08897	2.5
109.01066	4.4
109.06512	11.5
115.05448	15.5
117.07011	14.9
117.75063	0.9
118.06538	0.9
118.07336	1.6
119.03537	3.3
119.06031	3.6
119.08565	2.9
121.01507	1.5
135.04419	6.3
135.05548	2.2
135.08052	42.2
135.11670	6.8
136.02156	100.0
136.03914	4.4
136.06172	49.8
136.07545	3.8
136.08452	2.0
136.11150	0.9
137.04599	2.6
138.23793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
53.29932	0.3
55.01871	0.5
55.05486	0.6
56.05020	0.6
56.96566	1.7
57.03434	0.5
58.02937	0.3
59.06110	2.0
59.21668	0.3
60.04523	3.4
61.02911	0.4
61.51144	0.3
62.08214	0.3
65.03936	0.8
67.02978	0.5
67.05488	0.9
68.05029	1.9
69.03403	0.8
69.07059	0.5
69.46483	3.0
72.06876	0.4
72.08141	0.3
74.06083	0.7
74.97604	0.5
75.05275	0.3
75.05598	3.1
76.03983	1.3
79.05055	0.5
79.05487	6.2
79.15697	0.3
80.05003	1.2
81.04526	0.4
81.07053	0.8
82.06597	0.3
86.54202	1.0
87.05580	9.3
88.05910	0.4
89.03910	4.7
90.04694	2.8
90.05531	0.5
91.00512	2.0
91.05473	25.2
92.02558	0.4
93.04498	0.3
93.05743	0.4
93.07045	2.9
94.04058	1.8
94.06567	0.9
95.04955	2.3
95.06060	1.8
95.07351	0.6
96.06859	2.4
98.01270	0.4
98.21560	0.5
98.56010	0.4
99.05550	0.4
100.01028	2.0
102.51272	0.4
103.00503	0.5
103.04872	0.5
103.55224	1.0
104.04406	1.2
104.05521	0.3
104.54575	0.3
105.04557	1.4
105.07011	1.2
106.06530	0.7
107.01765	0.3
107.04948	11.2
107.06035	0.4
107.07422	0.3
107.08589	4.3
108.04472	0.7
108.05674	0.6
108.08086	1.3
109.01073	1.5
109.05098	0.6
109.06509	1.3
109.07633	1.7
111.54961	2.4
112.00942	0.3
112.05125	0.6
112.55737	30.3
113.05901	4.9
115.05416	0.6
117.03354	1.6
117.06580	0.5
117.10371	0.4
117.54963	0.9
118.05096	0.4
118.06526	1.9
118.08658	0.4
119.03561	5.4
119.04914	8.6
119.06126	0.5
119.08564	0.6
121.01531	1.5
121.56251	0.7
122.03053	0.3
126.06248	0.4
126.55463	0.6
131.01865	0.4
133.07057	1.8
134.05994	0.4
134.99622	0.6
135.04427	11.6
135.05478	0.9
135.06497	2.0
135.08009	2.9
135.09154	1.1
135.11636	1.5
136.02156	32.4
136.04021	2.5
136.06171	100.0
136.07536	11.2
136.08638	2.8
137.04568	5.1
149.55740	0.3
153.06984	0.5
154.07732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0712
Annotation	2-Aminobenzimidazole
Peak:m/z	Relative Intensity
53.03930	0.2
54.03479	0.2
56.05023	0.4
56.96561	1.0
57.03430	0.3
58.02951	0.4
58.06592	0.2
59.06115	1.0
60.04526	2.0
61.02907	0.2
65.03928	0.6
69.03412	0.4
69.61162	1.4
70.06582	1.0
71.03708	0.2
71.04964	0.3
72.04498	0.6
73.04018	0.2
74.02442	1.1
74.06084	0.9
74.06422	0.2
75.05601	1.7
76.04004	0.6
79.05499	1.9
80.04995	0.5
81.04535	0.3
83.32948	0.2
86.06068	0.3
87.05585	4.7
88.03966	0.9
88.07626	1.5
91.05499	1.1
92.04999	4.8
93.04456	0.2
93.05795	1.0
93.07034	1.1
94.06551	0.3
95.04948	0.7
95.07335	0.2
98.06022	0.6
99.03174	0.2
101.07134	0.2
105.07026	0.4
106.06546	0.8
106.07380	0.8
107.04944	2.7
107.06069	1.6
107.08569	1.8
108.05597	0.2
108.08144	0.2
116.07110	0.5
117.04451	0.3
117.06570	0.2
119.01937	0.2
119.53381	0.5
121.01542	0.3
121.04333	0.2
123.07875	0.2
134.07126	100.0
135.04399	2.7
135.05524	0.8
135.06674	0.3
135.07446	3.8
135.09180	0.3
135.11655	0.8
150.00774	0.2
151.46251	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.1
57.03416	10.0
60.04510	9.2
68.05021	9.7
69.03426	9.8
70.06583	10.5
70.10418	16.2
71.04974	8.9
74.02436	100.0
74.06070	12.1
75.05573	7.1
79.62276	3.2
80.04997	4.3
85.53716	2.9
86.52706	4.0
86.86654	3.3
87.05576	13.1
88.03456	5.7
88.03985	57.2
90.00230	2.9
98.06061	40.2
99.53475	4.5
100.02453	4.7
103.03939	3.6
107.04946	4.8
116.03439	4.8
116.07085	11.3
118.03448	5.6
119.01875	10.6
122.53705	5.6
131.01862	3.1
131.24741	3.5
134.04530	3.8
134.06042	4.0
134.07182	5.2
134.08142	28.0
135.04367	5.0
135.08070	3.2
137.02957	4.0
142.03542	15.3
147.56201	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	134.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	5.8
55.01857	7.5
55.05502	4.3
56.96561	30.1
57.03431	74.0
58.99847	3.9
59.06108	3.1
60.04512	10.1
60.69221	2.3
61.02917	6.8
68.02624	4.8
69.01896	6.3
69.03428	19.1
71.13846	5.5
72.52954	7.8
73.02921	28.2
75.05587	6.8
77.00894	7.3
77.52172	3.5
78.52963	15.4
79.05488	10.4
80.52693	6.3
81.03387	8.4
81.53480	4.7
82.01439	9.5
84.52938	5.5
85.02879	11.8
85.51926	6.5
85.53731	7.3
86.52695	54.8
87.02749	6.4
87.05585	18.0
87.52562	5.7
87.53462	6.6
88.02673	31.0
88.07610	3.4
88.52687	4.6
91.05459	9.1
92.52708	3.0
93.01877	7.4
93.02671	3.0
93.07043	4.2
93.53463	11.7
94.03473	4.0
94.54240	5.3
95.01920	3.9
95.53217	41.9
96.03281	4.9
97.03192	8.7
98.52695	3.8
98.97569	5.9
99.04454	3.9
99.53471	13.2
100.02470	48.7
100.53333	3.4
100.54285	2.7
101.00872	25.9
101.02556	9.7
102.02390	27.8
102.52441	4.2
103.00526	4.0
103.02404	7.1
104.52661	3.5
104.53674	3.1
105.00366	3.7
105.03423	2.9
106.07334	4.3
107.04929	3.8
107.06056	3.0
107.08590	4.6
107.53165	3.7
108.53959	4.8
109.02887	3.0
109.03983	2.9
111.02911	29.5
111.53424	8.2
112.01030	3.2
112.02753	2.8
113.00827	3.7
113.53177	10.9
115.02404	5.2
116.98602	14.7
117.03893	3.4
118.01198	2.8
118.03516	48.8
119.01910	99.8
119.03603	8.7
119.08588	5.0
120.01953	18.3
120.03339	10.7
120.47434	3.0
120.53966	3.2
121.01601	24.1
121.03490	4.5
122.53700	10.8
123.03810	3.2
124.02444	9.2
126.04081	3.1
128.01897	4.2
129.03961	4.3
131.01900	41.1
131.54237	6.5
133.01503	3.1
133.03452	10.0
134.04532	4.2
134.06029	5.3
134.07074	6.7
134.99651	18.2
135.04333	3.8
135.08073	4.5
137.02968	28.4
137.98320	7.3
138.02995	7.8
138.03990	3.1
138.09184	2.7
141.05116	2.9
142.03494	100.0
142.04601	5.5
143.01849	5.9
143.03574	17.4
144.03242	9.5
145.03479	8.1
146.02957	5.3
147.01379	4.6
147.03084	3.2
147.05003	3.8
149.02921	12.0
153.00710	3.0
154.03499	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	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02381	0.4
53.03920	0.5
55.05492	1.7
71.07516	1.1
79.05483	5.4
88.05080	0.5
91.05473	13.2
92.05788	0.6
93.07033	3.4
95.04964	1.6
103.05473	3.8
105.07021	52.5
106.07359	2.2
107.08578	1.0
115.05451	4.5
116.06246	0.6
117.07013	4.7
118.04147	2.1
118.07799	6.1
129.06958	1.2
131.08562	6.0
133.06487	17.9
133.10118	100.0
134.06830	0.7
134.10449	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	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.05503	1.7
58.05337	0.3
62.44930	0.3
62.69720	0.3
65.03925	0.4
67.45894	0.3
71.12791	0.4
71.13155	0.7
74.02447	0.4
74.20461	0.3
76.40194	0.3
77.03905	0.3
79.05484	5.0
81.04522	0.5
90.04680	0.3
91.05473	15.3
92.05792	0.5
93.07040	3.5
95.04972	1.4
97.00645	0.3
99.47966	0.3
103.05463	3.3
105.03406	0.6
105.07019	49.2
106.06693	0.5
106.07330	1.9
107.08592	1.0
112.02193	0.9
113.02979	0.6
115.05438	4.2
116.06233	0.9
117.07005	5.3
118.04173	0.5
118.07800	5.6
119.08182	0.4
122.43288	0.4
123.07941	1.8
129.07030	0.4
131.08551	6.2
133.02881	0.7
133.06506	9.6
133.10117	100.0
134.05980	0.8
134.07010	0.5
134.09531	0.5
134.10461	7.5
144.04761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01865	0.6
55.05503	1.9
62.27851	0.3
69.38766	2.4
69.39188	1.3
79.05482	5.5
87.05632	0.4
91.05471	14.1
92.05785	0.7
92.06287	0.4
93.07030	3.9
94.07434	0.4
95.04977	1.8
103.05456	2.7
105.07020	46.3
106.07317	2.1
107.06171	0.4
107.08594	1.0
112.02195	0.6
112.35175	0.3
115.05447	4.8
116.06232	0.8
117.07006	4.7
118.04198	0.7
118.07807	5.9
123.07914	1.0
129.06941	0.4
131.08557	5.9
133.02759	0.3
133.06508	6.8
133.10118	100.0
134.06004	0.6
134.06985	0.4
134.09528	0.6
134.10458	7.2
144.04863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03950	0.4
55.05503	1.2
65.03930	1.2
69.46477	4.3
69.87377	0.5
79.05499	2.2
81.90443	0.5
91.05474	100.0
92.05804	3.6
93.07035	1.0
103.05479	1.7
104.06251	13.3
105.02666	0.5
105.07026	27.7
106.07357	1.1
117.07041	0.7
118.07799	1.0
128.75276	0.5
131.08592	1.1
132.08002	0.5
133.06509	3.5
133.07445	0.6
133.10118	26.7
134.05974	0.9
134.10455	1.5
136.79137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34088	0.4
53.03946	0.5
55.05505	2.6
55.75994	0.4
58.05322	0.5
67.80442	0.3
67.84744	0.5
68.37199	0.4
69.75088	1.0
69.75500	1.6
79.05484	5.7
87.05600	0.7
91.05470	18.5
92.05782	0.7
93.07037	5.1
95.04955	1.5
103.05457	3.7
105.07020	60.8
106.07329	2.0
107.08597	1.1
112.02193	0.8
112.42764	0.4
115.05449	4.6
116.06242	0.9
117.06999	6.1
118.07786	6.8
123.07936	1.8
129.06990	0.7
131.08551	8.1
132.08861	0.4
133.02832	0.7
133.06549	5.5
133.10117	100.0
134.05960	1.2
134.07005	0.8
134.10442	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	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72399	0.9
51.02365	1.2
53.03941	1.7
55.01855	3.5
55.05515	1.4
55.44579	0.8
56.96569	1.3
57.03440	1.4
58.05329	3.1
59.06102	1.0
65.03965	1.1
66.04707	1.7
69.03423	1.3
70.06588	1.5
71.02605	3.2
73.02913	1.2
74.02438	15.7
74.06067	2.1
75.05599	1.8
75.84499	0.9
77.03927	1.3
77.36694	0.8
78.53429	0.9
79.05491	13.0
81.04530	2.2
82.05297	1.5
85.04025	2.7
87.05582	2.4
88.02218	1.3
88.03987	10.8
90.04699	2.0
91.04987	1.0
91.05486	12.8
93.07027	1.2
95.04958	3.4
97.02892	1.3
103.05463	9.6
105.03396	2.2
105.07022	92.1
106.06639	1.6
106.07351	4.3
112.02171	5.9
113.02971	3.8
115.05447	4.1
116.03461	1.0
116.07054	1.1
117.07023	3.0
118.04153	12.4
118.07812	1.9
123.07940	11.4
126.03704	1.2
131.08578	4.7
133.02849	2.6
133.06491	100.0
133.10132	38.6
134.03625	1.4
134.05957	2.2
134.06905	6.5
134.10500	2.1
144.04765	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	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03931	1.4
55.01855	1.8
55.05503	1.8
66.04729	1.0
67.05502	0.6
69.38654	4.2
69.39080	1.6
74.22517	0.6
77.03919	0.7
79.05492	10.7
80.05820	0.5
90.04691	2.1
91.05474	14.9
92.05814	0.6
93.07028	4.5
95.04961	2.3
98.06577	0.5
98.21505	1.3
103.05469	9.0
105.07022	84.0
106.07352	4.8
107.08642	0.9
108.88479	0.6
115.05450	5.9
117.07019	4.9
118.04155	8.6
118.07781	6.3
119.04475	0.7
119.08167	0.6
123.08034	0.8
131.08578	6.6
133.06488	67.8
133.10121	100.0
134.06836	5.5
134.10443	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02360	0.5
53.03945	1.4
55.01868	3.5
55.05494	1.1
56.05015	0.6
56.96547	1.1
57.03421	0.4
57.04551	0.9
58.02949	0.4
58.05332	3.6
58.06583	0.8
59.05002	0.3
59.06102	0.6
60.04504	0.8
65.03918	0.3
67.05494	0.6
67.66380	0.3
69.03410	0.5
69.04554	0.3
70.02943	0.4
70.06577	0.7
71.04968	0.9
71.06104	0.3
71.24926	0.5
72.04492	0.5
72.08134	0.3
73.02886	0.3
73.04024	0.5
73.83105	0.3
74.02425	1.0
74.06078	2.5
75.05599	3.7
76.03996	0.6
76.07642	0.3
77.03928	0.8
79.05485	13.1
80.05007	0.4
80.05819	0.4
81.04521	0.4
82.05291	0.3
85.04021	3.2
86.04810	0.5
86.06059	0.4
87.05579	2.0
88.02206	0.5
88.03972	0.7
88.07616	1.7
91.05487	7.3
92.03460	0.4
92.07123	0.7
93.07045	1.0
95.04957	3.3
97.02856	0.7
98.06054	0.5
100.03943	0.4
103.05461	8.8
104.05762	0.6
105.03388	1.0
105.07022	94.9
106.06565	0.9
106.07336	4.7
106.95988	0.3
107.04929	1.1
107.06057	0.5
108.84995	0.3
112.02171	1.1
113.02993	0.4
115.05494	3.6
115.08716	0.7
116.05740	0.3
116.07066	1.3
116.10716	0.3
117.07018	0.7
118.07809	0.7
119.53352	0.4
123.07929	1.7
131.04933	1.8
131.08592	1.4
132.05673	0.5
133.02924	1.3
133.06483	100.0
133.10147	11.8
134.05960	1.2
134.06874	6.8
134.09608	1.0
134.10500	1.0
144.04761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02391	0.6
53.03930	2.1
55.01871	3.3
55.05497	1.0
56.05016	0.7
56.60724	0.6
56.96554	0.8
57.03417	0.6
57.04557	0.8
58.05334	3.2
59.06118	0.8
60.04519	0.6
66.04704	0.9
67.05460	0.8
69.03416	0.6
71.25926	1.4
74.02422	1.4
74.06070	1.3
75.05609	1.7
77.03916	1.0
79.05487	11.3
81.04520	1.4
82.05313	0.6
85.04015	2.8
86.04829	0.8
87.05571	1.9
88.02205	1.0
88.03976	0.7
88.07627	1.2
90.04688	2.0
91.05482	8.9
92.07085	1.6
93.07054	1.0
94.04264	0.7
95.04972	3.4
97.02866	1.0
103.05449	10.6
105.03410	1.2
105.07022	88.4
106.06613	1.2
106.07356	4.8
107.04974	0.6
107.06087	0.8
112.02193	4.0
113.02962	2.2
115.05501	3.8
116.07055	0.7
116.52310	0.6
117.07009	2.0
118.04157	13.5
118.07811	1.7
123.07938	5.1
131.04932	0.8
131.08556	2.7
133.02841	2.1
133.06487	100.0
133.10129	24.0
134.03554	0.9
134.05940	2.1
134.06909	7.3
134.10498	1.5
144.04814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02384	0.1
53.03939	0.4
56.05031	0.7
56.96562	0.1
57.03430	0.1
57.07066	0.4
59.06096	0.1
60.04523	0.1
65.03908	0.1
66.42326	0.1
67.05494	0.2
69.03423	5.9
69.07056	1.0
70.06581	0.4
71.04988	0.3
72.08151	0.1
74.09717	0.2
77.03893	0.2
82.06570	0.4
84.04496	6.0
84.08132	16.4
85.02899	0.1
85.04814	0.1
85.06525	0.2
85.07648	0.2
85.08488	0.3
87.09218	0.2
88.07645	0.1
91.05477	0.5
93.30322	0.1
94.06537	0.2
95.04951	1.5
98.03172	0.3
102.04684	0.3
103.05456	9.7
104.05804	0.3
105.04525	0.3
107.71011	0.1
112.07592	20.1
113.02339	0.1
113.07217	0.2
113.07936	0.6
116.06264	0.2
117.93119	0.1
128.04970	1.1
129.05634	0.1
129.06995	0.2
130.06512	100.0
130.08562	9.9
130.15906	0.9
131.04913	0.6
131.06862	4.4
131.08582	0.7
146.06013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
51.16053	0.1
53.32341	0.2
56.05029	1.7
60.47701	0.2
69.03416	0.2
70.06584	0.2
71.25314	0.4
84.04504	1.8
84.08136	100.0
85.08460	2.4
102.64823	0.2
106.45240	0.2
112.07611	1.4
130.08627	22.4
131.08952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52011	0.2
55.05491	0.2
56.05034	2.0
57.03454	0.2
67.05509	0.3
69.03425	0.5
70.06608	0.3
70.98918	0.5
84.04502	7.2
84.08137	100.0
85.06547	0.5
85.07867	0.5
85.08463	3.8
86.09691	0.2
98.68298	0.2
100.68168	0.1
112.07603	2.3
130.04977	0.9
130.08632	23.7
130.12267	1.1
130.34964	0.2
131.08997	0.8
132.92598	0.1
145.81885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	9.0
59.07365	2.4
60.08153	3.2
66.90810	0.7
68.61699	0.9
69.07063	7.5
70.46832	1.6
70.47225	1.7
72.04529	0.7
72.08147	2.7
73.02905	2.6
77.38033	0.7
78.03536	0.9
86.09699	100.0
87.10040	3.1
106.70361	0.7
114.10321	1.1
114.11990	1.7
114.12798	34.0
115.13165	1.5
129.30048	0.8
131.15457	2.1
132.10191	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06591	0.7
69.07062	14.3
69.53528	2.5
70.07384	0.6
71.37792	0.2
73.06558	0.4
74.90419	0.2
75.17842	0.3
84.08105	0.3
86.09698	100.0
87.10014	3.3
132.10182	1.5
132.13852	1.2
132.94353	0.3
154.72194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0388
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
52.25628	0.2
53.03942	2.3
55.01858	1.3
56.97943	0.2
67.01846	0.6
68.05007	0.3
69.03432	0.3
70.06545	0.4
70.87633	0.7
71.04977	0.7
81.03407	3.5
81.07051	0.5
82.06570	0.4
83.06090	0.3
85.07661	0.2
98.03671	0.3
99.04447	0.5
109.02869	8.6
110.03213	0.3
110.06107	0.2
111.09216	1.4
112.52364	0.2
113.21641	0.2
115.82080	0.3
127.03904	100.0
128.04251	3.6
132.94193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.85321	0.3
53.03942	0.5
55.02980	0.4
55.05486	0.6
56.01397	0.3
56.05029	1.2
56.96541	0.3
57.03434	0.3
59.06100	0.7
60.04516	0.4
67.05489	0.4
69.03421	6.3
69.07059	0.9
69.45009	0.2
70.03755	0.3
70.06598	1.5
70.88383	0.8
71.04977	0.5
72.04501	0.4
72.08149	2.8
74.06049	0.2
82.06580	0.4
83.02457	0.3
84.04500	6.4
84.08137	24.8
85.04810	0.3
85.07656	1.0
85.08477	0.4
86.06021	0.3
87.09228	0.4
95.04977	1.6
103.05466	7.7
104.05800	0.4
112.05112	0.5
112.07595	19.0
113.07106	0.9
113.07900	0.6
128.04971	1.2
130.06517	100.0
130.08583	10.7
130.15907	0.4
131.06856	3.8
146.05988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
53.04163	1.0
54.03465	6.6
55.01853	2.2
55.05257	1.6
55.05507	16.3
56.05028	35.3
56.96569	7.6
57.03421	1.5
57.04551	1.6
58.06587	8.4
60.08182	1.3
60.60852	0.8
65.03944	1.4
66.03431	2.8
67.04229	3.5
67.05514	5.8
68.05020	19.7
69.03426	5.7
69.04545	7.8
69.07050	2.4
69.98705	3.1
69.99113	2.0
70.06583	12.9
77.69772	0.9
78.03435	1.3
78.06322	5.0
79.01830	1.9
79.05485	29.5
80.05006	34.5
80.05748	1.3
81.03403	1.7
81.04532	29.3
81.05277	5.0
81.05785	3.1
81.07048	30.7
82.02924	1.2
82.04865	1.6
82.05315	3.1
82.06570	6.3
82.07379	1.8
83.04984	2.5
83.06093	73.2
84.04493	1.9
84.06409	2.3
84.06878	2.7
84.08125	2.0
91.05488	1.7
94.06558	2.7
95.01273	1.1
95.04944	3.9
95.06078	4.0
95.07342	2.1
95.08577	1.8
96.04481	22.5
96.05289	5.1
96.06847	2.2
96.08120	15.3
97.02877	19.7
97.03963	0.9
97.04810	2.8
97.06515	3.1
97.07638	32.8
98.06052	3.4
98.21397	1.2
98.66982	1.0
100.02489	2.3
101.00893	2.7
101.02548	4.8
102.01009	1.0
102.02229	3.8
107.04964	2.0
107.06068	40.3
107.08540	2.1
108.06420	1.6
108.08114	1.8
109.05242	2.1
109.08919	2.2
110.08398	1.2
110.52839	1.1
112.03948	9.2
117.10239	5.8
118.03543	1.2
119.01904	46.6
119.03615	3.6
120.02001	3.9
120.03275	3.3
124.03943	100.0
124.04900	4.1
124.05865	21.4
124.07603	10.7
124.08701	62.4
124.11206	15.9
125.02346	10.8
125.03339	1.9
125.04302	3.5
125.06015	6.3
125.07104	18.0
125.08061	1.8
125.08947	1.7
125.09732	2.0
125.10733	1.6
137.02937	35.6
138.03047	3.7
140.03381	6.4
142.03490	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
54.03232	0.5
54.03464	3.2
55.01857	0.8
55.05508	4.4
56.05031	6.5
56.96553	0.8
57.07068	6.4
58.06590	0.9
59.82316	0.5
65.03928	1.1
67.05499	18.2
67.12723	0.5
68.05022	3.9
69.04541	1.4
69.07066	2.4
70.06573	3.1
70.09696	1.5
70.10091	1.0
77.03958	0.7
79.01835	0.6
79.05492	13.8
80.04555	0.9
80.05015	16.3
80.05787	1.2
81.03437	0.6
81.04534	8.5
81.07050	100.0
82.01446	1.2
82.05317	1.0
82.07394	2.9
83.05620	0.9
83.06101	13.0
88.02366	1.2
93.07047	2.9
94.07848	1.1
95.04962	30.2
95.06063	1.8
95.08603	19.2
95.09226	0.6
96.04488	8.9
96.05234	1.1
96.06413	0.9
96.08132	1.3
96.08930	1.0
97.07647	8.1
100.02478	10.0
101.02590	1.0
105.04509	0.9
105.07033	1.0
106.07348	1.7
107.06068	8.9
108.05749	1.1
108.07658	3.2
108.09358	1.1
112.03968	3.6
118.03514	11.9
119.01891	1.5
119.03656	1.6
121.10114	1.8
123.04429	10.2
123.05539	40.2
123.07306	0.8
123.08158	7.6
123.09180	1.8
123.09995	7.3
123.11697	38.6
124.03948	27.9
124.04899	1.3
124.05875	1.4
124.07610	3.1
124.08691	17.7
124.12039	2.1
125.07035	0.8
137.02914	1.4
140.03401	2.0
141.05020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.7
54.03463	2.7
54.38083	0.7
55.01868	1.1
55.05506	5.9
56.05037	7.0
56.96548	1.1
57.07070	5.6
63.59174	0.7
65.03931	1.9
67.05500	22.9
68.05016	4.7
68.05798	0.9
69.04546	1.2
69.07060	4.3
70.06574	2.8
77.03884	1.5
79.05487	14.5
80.05013	24.2
80.05785	1.2
81.03419	1.7
81.04539	10.2
81.07052	100.0
82.01419	1.4
82.05305	2.0
82.06577	1.2
82.07376	3.6
83.05619	1.3
83.06099	17.8
85.26478	0.7
93.07053	2.4
94.07811	1.3
95.04964	51.9
95.06014	1.9
95.08601	20.4
96.04487	14.4
96.05154	1.3
96.06377	0.7
96.08123	1.4
97.07642	9.2
97.45792	0.8
100.02480	13.0
101.02573	1.5
103.99066	0.8
105.04514	1.8
105.07028	1.9
106.02852	1.4
106.07351	2.0
107.06065	10.8
107.17587	0.8
108.05695	2.1
108.07643	5.1
112.03951	4.5
118.03518	17.6
119.01924	2.2
119.03675	1.8
121.10111	2.1
123.04433	18.1
123.05545	57.8
123.08128	19.9
123.09155	1.4
123.10001	7.6
123.11698	37.4
124.03950	40.1
124.04922	2.1
124.05891	2.0
124.07603	3.2
124.08704	26.3
124.12052	2.3
137.02933	2.3
140.03423	3.9
141.05086	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03941	6.0
54.03449	5.4
55.01866	2.4
55.05503	11.9
56.05030	10.8
56.96569	2.0
57.07071	3.8
58.06586	1.0
65.03945	2.5
66.03471	1.3
67.03007	1.1
67.05499	61.7
68.05020	4.7
68.05820	2.4
69.04540	1.5
69.07053	1.3
70.06580	5.3
71.63451	1.2
77.03922	1.4
78.03458	1.8
79.01864	1.6
79.05488	14.7
80.05008	35.5
80.06264	1.4
81.02985	1.0
81.03408	4.3
81.04539	14.4
81.07050	73.8
82.01431	1.2
82.04892	1.2
82.05334	2.5
82.07385	1.9
83.05629	2.0
83.06099	19.3
88.02379	2.5
89.84176	0.9
91.05476	3.2
93.07033	10.3
95.04961	67.9
95.06091	2.6
95.08598	45.4
96.04488	18.8
96.05272	2.5
96.08110	1.5
96.08935	2.1
97.02888	1.0
97.07648	14.0
100.02477	18.2
101.02579	1.7
105.04529	1.8
105.07042	3.6
106.02879	1.5
106.07357	2.0
107.05022	1.3
107.06071	13.7
108.05730	3.4
108.07700	2.6
112.03984	4.3
118.03513	22.4
119.01937	2.4
119.03620	1.6
123.03566	1.5
123.04461	28.8
123.05572	97.1
123.08085	100.0
123.09871	5.4
123.11693	23.6
123.12559	1.4
124.03945	52.0
124.05918	3.8
124.07614	2.7
124.08702	28.5
124.11267	1.0
124.12057	1.3
137.02995	1.6
140.03412	4.8
141.05135	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	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02380	0.8
53.03938	4.4
54.03467	3.0
55.01852	0.8
55.05507	9.7
56.05031	7.4
57.07070	2.0
58.06585	1.7
65.03947	1.8
67.05499	52.3
68.05031	5.1
68.05826	1.0
69.04546	1.3
69.07037	0.9
69.63427	2.6
69.63850	2.6
69.97800	0.7
70.06596	3.3
77.03942	0.7
78.03442	0.7
79.05486	9.2
79.77194	0.7
80.05016	25.4
80.06262	1.5
81.03415	5.5
81.04539	10.3
81.06568	1.4
81.07053	26.5
82.05337	1.0
82.06579	1.9
82.07375	0.9
83.05028	0.8
83.05622	1.7
83.06099	18.4
91.05471	2.5
93.07035	10.8
95.04964	64.8
95.08599	44.5
96.04497	12.5
96.05295	2.4
96.06902	0.7
96.08118	2.2
96.08944	2.2
97.07647	9.3
100.02477	8.3
101.02547	0.9
105.04512	2.1
105.07024	3.0
106.02933	1.6
106.06645	0.8
106.07381	2.0
107.04978	0.7
107.06076	10.0
108.05738	2.6
108.07671	3.6
112.03957	4.4
118.03521	9.2
119.01936	2.5
119.03630	0.9
123.04465	14.7
123.05566	70.6
123.08079	100.0
123.09937	9.5
123.11675	7.4
124.03951	33.1
124.04898	1.8
124.05875	2.7
124.07611	2.4
124.08704	22.9
124.11206	0.9
130.43451	0.6
137.02972	1.0
140.03452	2.5
141.05103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.24550	0.9
51.02374	1.6
53.03942	7.9
54.03463	5.1
54.04276	0.9
55.01902	1.5
55.05510	18.0
56.05033	11.2
57.07067	2.5
58.06588	1.8
62.41762	1.1
62.95227	0.9
63.29625	1.2
65.03931	3.6
67.05499	88.5
68.05019	9.7
68.05835	3.2
69.03438	1.7
69.04552	2.4
69.07029	1.0
70.06602	6.6
71.61536	1.3
77.03924	1.4
79.05488	13.7
80.05010	30.6
80.06284	1.5
81.03420	2.4
81.04536	14.6
81.05793	1.2
81.07052	44.2
82.01430	1.1
82.04895	1.1
82.05314	2.6
82.06580	2.5
82.07385	1.9
83.05627	2.2
83.06102	27.6
84.06891	1.6
85.78371	1.2
91.05491	3.7
93.07028	15.0
93.07542	1.5
95.04964	62.2
95.06120	3.0
95.08600	100.0
96.04488	20.8
96.05338	2.1
96.08147	2.6
96.08963	4.3
97.07654	13.6
100.02477	12.4
101.02583	1.8
105.04521	2.5
105.07026	8.5
106.02950	2.8
106.07375	3.1
107.04964	2.8
107.06068	16.7
108.05737	15.6
108.07642	5.9
112.03997	4.9
118.03516	14.4
119.01926	2.8
119.03624	1.2
121.06518	2.0
121.10271	1.0
123.04478	21.8
123.05579	94.9
123.08099	61.0
123.09143	3.7
123.09921	10.6
123.11694	13.4
124.03949	37.3
124.05916	3.3
124.07646	5.1
124.08701	34.2
124.12119	1.5
137.02951	1.9
140.03448	4.9
141.05139	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	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
53.03927	1.6
55.01867	4.0
56.96555	1.1
57.04027	0.5
65.03931	3.8
67.05501	23.0
68.05839	0.8
68.99790	1.1
69.60142	1.0
69.60546	3.8
74.90038	0.7
79.01862	1.4
80.05014	3.6
81.03412	0.7
81.07043	2.2
88.02376	3.0
95.04965	32.2
95.08635	1.4
96.04503	2.7
96.05282	0.5
98.20697	0.7
100.02475	5.4
112.04010	0.8
118.03503	5.0
123.04427	100.0
123.05510	12.4
123.08037	1.8
123.10023	1.3
123.11665	0.9
124.03951	6.7
124.04785	2.8
124.08697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.27752	1.4
53.03920	1.3
55.01857	5.0
56.96556	1.8
65.03935	3.3
67.05170	1.7
67.05501	24.0
69.31846	7.8
69.32272	7.0
75.76434	1.2
79.01850	1.7
80.05013	7.1
81.07043	7.0
82.01424	1.6
88.02368	5.6
89.66338	1.2
95.04964	45.6
95.08589	2.1
96.04488	7.8
98.20707	2.5
99.53146	2.2
100.02467	15.6
108.07645	1.4
112.03970	2.8
118.03484	9.4
123.04415	100.0
123.05527	35.3
123.08047	5.2
123.10001	2.5
123.11693	1.9
124.03951	17.3
124.04774	3.4
124.07623	1.5
141.05150	1.2
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	Nicotinamide
Peak:m/z	Relative Intensity
52.87131	0.2
53.03939	0.5
54.03461	0.2
54.86195	0.2
56.05034	0.2
56.96557	0.2
65.03942	0.1
67.05504	0.5
68.05021	0.4
68.97566	0.1
71.56423	0.3
77.13560	0.1
78.03449	1.0
78.06324	0.2
79.04248	0.2
79.05480	0.2
80.05015	26.8
81.05341	0.5
81.07056	0.4
82.06612	0.2
83.06108	0.5
95.04966	2.2
95.06093	0.5
96.04491	7.7
97.04818	0.2
97.07656	0.2
99.98029	0.1
100.02498	1.2
105.04520	0.3
106.02916	1.9
107.06080	0.2
109.00522	0.2
117.10252	0.3
118.03513	1.0
119.01905	0.6
123.05548	100.0
124.03959	3.2
124.05022	0.2
124.05916	2.4
124.08707	0.3
125.05412	0.1
137.02943	0.4
137.60950	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39479	1.0
58.99872	1.1
64.09976	1.1
71.04442	2.4
71.04788	2.0
82.01439	12.4
86.01634	1.1
93.35035	1.0
100.02474	100.0
101.00857	1.8
101.02553	4.8
118.03513	88.3
119.01920	35.1
119.03606	4.3
123.04041	1.8
137.02950	23.9
141.05072	2.1
142.03462	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01887	0.6
55.05514	0.6
56.96558	3.2
57.03429	1.6
58.06597	1.7
58.99855	1.4
61.02922	1.3
67.05499	1.9
69.03426	2.2
69.58559	5.4
70.06576	0.9
70.99915	0.7
73.02922	0.8
77.00905	1.6
78.03442	3.7
78.06328	3.0
80.05012	29.9
81.01930	0.8
81.03416	1.2
81.07053	1.0
82.01435	10.1
84.08129	1.4
85.02909	0.8
86.27634	0.7
95.04965	4.7
96.04484	14.7
97.02895	1.6
98.20760	0.9
98.52642	0.8
100.02477	100.0
101.00848	4.3
101.02550	6.6
105.04543	0.8
106.02902	7.3
109.02836	1.3
111.02930	1.1
115.02437	0.7
117.10255	2.1
118.01208	4.0
118.03516	90.9
119.01915	41.0
119.03589	6.4
121.01669	1.6
123.04251	4.1
123.05545	93.8
124.03947	68.7
124.05878	3.1
124.07594	2.0
124.08568	0.7
131.01901	2.6
133.03490	0.8
136.02179	1.0
136.04520	0.7
137.02953	24.3
141.05067	3.8
142.03503	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57875	0.6
53.03939	2.2
56.96558	6.4
57.03425	2.0
58.06586	3.0
58.99863	2.0
59.07366	2.2
59.99936	0.6
61.02914	1.1
65.03934	0.7
67.05505	4.7
69.03398	1.1
70.37681	2.3
73.02888	1.0
77.00893	2.2
78.06322	7.6
79.05479	2.0
80.05009	14.8
81.03405	1.8
81.07048	2.9
82.01433	10.7
82.01862	1.1
84.08109	1.0
88.02660	1.0
92.07877	0.6
95.04964	20.6
95.08603	1.0
96.04479	6.9
96.05267	1.0
97.05274	1.2
98.01257	0.9
98.97581	1.4
99.09170	1.0
100.02473	100.0
100.07631	0.6
101.00862	4.8
101.02534	6.3
102.02337	1.1
106.02901	2.3
109.02861	1.2
111.02916	0.9
112.03945	1.2
116.98625	1.9
117.10280	4.8
118.01203	3.3
118.03513	96.5
119.01907	43.9
119.03577	5.8
120.03346	0.9
121.01514	1.3
123.04392	5.0
123.05540	56.7
123.08032	1.7
124.03943	18.3
124.05857	0.8
124.07589	1.8
131.01871	1.8
134.99663	1.0
136.02216	0.8
136.04561	1.4
137.02945	24.6
140.03426	1.0
141.05081	3.7
142.03500	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
56.96557	6.3
58.99854	2.8
59.05856	2.3
59.06127	27.9
60.04522	8.7
61.02926	2.1
67.05489	5.7
69.03426	25.7
70.56296	7.0
71.03001	3.4
77.00886	2.3
82.01440	5.2
83.01505	2.0
84.52968	3.1
85.53728	1.9
86.52689	2.6
87.05591	5.3
87.53475	3.4
89.86340	1.7
91.05482	24.9
93.07050	3.4
93.53467	7.5
94.54242	1.8
95.53207	2.5
98.52697	2.3
99.47974	1.6
100.02480	38.1
101.00861	10.9
101.02551	10.2
102.02231	6.1
103.02435	5.7
103.32904	1.6
107.05235	5.1
107.53178	4.1
112.07578	2.0
116.05791	7.5
116.53724	3.6
116.55797	2.0
118.03515	35.4
119.01918	100.0
119.03630	11.3
119.08526	3.1
120.02052	6.0
120.03275	6.8
120.05560	1.6
121.03486	7.4
124.14415	1.7
126.19296	1.7
133.03421	3.6
135.05058	2.6
137.02954	65.8
138.03024	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02387	1.4
51.15700	0.6
51.31908	0.6
53.03945	10.9
54.03464	2.6
55.01869	1.8
55.05495	0.8
56.96558	2.3
59.03734	0.7
60.04506	0.8
65.03932	3.3
68.05023	1.2
70.30480	2.7
72.08148	1.3
77.03915	1.1
79.05487	4.5
80.05004	0.7
81.03426	1.8
81.04546	4.5
82.05320	6.9
91.05476	46.8
92.05811	1.8
93.07039	56.6
94.06553	0.8
94.07396	1.9
95.04967	32.7
95.06030	5.6
96.05269	0.8
99.91594	0.6
102.04672	0.9
103.05464	83.4
104.05800	3.8
105.04507	6.1
105.07019	4.8
107.07335	1.9
110.02390	0.7
111.04440	1.3
116.85197	0.6
116.98647	0.7
121.02872	5.1
121.04029	1.9
121.06500	100.0
121.08408	2.0
121.10149	4.7
122.06037	2.1
122.07150	17.5
122.09673	2.6
139.22420	0.7
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	Proline
Peak:m/z	Relative Intensity
53.38331	0.1
56.05021	0.2
56.96565	0.5
58.06603	0.3
59.06125	0.3
67.53551	0.1
70.06589	100.0
70.31596	0.6
71.06925	1.9
76.07645	0.4
85.50063	0.1
92.51748	0.1
98.06055	0.4
98.09704	0.2
116.07088	14.6
116.10719	2.6
117.07469	0.2
117.10242	0.3
126.48646	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	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
56.05013	0.9
58.02949	1.5
58.06574	1.3
59.06122	9.2
60.04515	4.6
60.07688	0.6
69.99489	1.2
69.99870	3.8
72.04523	3.5
72.08150	4.4
74.06067	1.3
74.09273	0.6
75.05606	1.6
76.03983	1.3
76.93365	0.7
83.52345	1.0
87.05584	1.7
91.05475	35.9
92.52911	0.9
100.03990	1.1
101.07218	0.8
117.05748	3.1
118.06538	100.0
119.06132	1.4
119.06873	4.3
119.08534	2.3
123.84846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.1279
Annotation	N-METHYLCYCLOHEXYLAMINE
Peak:m/z	Relative Intensity
53.00307	0.7
53.03941	1.0
54.03454	1.4
55.01865	4.2
55.05505	3.7
56.03765	0.7
56.05037	4.3
56.96560	10.1
57.03421	1.9
57.04545	1.7
58.02951	1.5
58.06594	52.9
59.03746	4.4
59.05003	4.5
59.06923	1.7
60.04517	1.4
60.72306	0.6
62.39272	0.6
67.02970	1.2
67.05498	2.9
68.05022	7.6
69.03423	6.2
69.04536	1.7
69.07063	42.1
69.99050	1.9
69.99460	1.3
70.02960	0.6
70.06588	15.3
71.02454	0.8
71.04991	0.8
71.06107	1.0
71.06902	1.2
71.07339	0.6
72.04512	1.3
72.05654	0.7
72.08148	9.3
72.93783	16.8
73.04025	1.0
73.07670	3.7
74.04815	12.3
74.06068	5.6
79.05492	1.7
80.04993	2.1
81.04510	0.7
82.02919	0.7
82.05328	3.1
83.01323	3.3
83.97614	0.6
84.04515	0.9
84.08126	2.0
85.02880	1.6
85.07647	0.7
86.06058	4.5
86.09723	0.8
87.04456	3.0
87.05569	2.8
87.09216	2.3
88.05109	0.9
88.07610	2.2
90.51313	0.7
90.94836	4.1
91.02344	0.8
96.04488	1.9
96.05629	1.2
96.08124	2.4
97.02877	2.1
97.04000	0.7
97.06483	2.2
97.07643	8.1
98.03580	0.8
98.06045	2.1
98.09692	2.1
98.21391	0.8
98.62344	0.5
100.01065	0.7
100.02457	1.9
108.95869	0.7
111.53659	1.9
112.07581	0.9
112.11230	1.3
113.96402	1.1
114.02702	2.4
114.03818	1.4
114.05518	7.8
114.06677	8.1
114.09161	18.8
114.10279	8.8
114.12796	100.0
115.03910	6.7
115.05057	1.4
115.07590	0.7
115.08678	4.8
115.13107	4.5
118.03493	2.2
119.01938	0.8
131.97382	1.4
133.03391	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03410	10.9
83.01320	0.3
83.04972	2.1
84.04482	0.2
84.08130	0.4
85.02895	17.3
86.09694	0.3
87.04469	0.8
89.03888	0.1
91.03935	0.2
91.05470	1.1
93.03406	0.3
93.07031	0.1
95.01320	0.2
95.01878	0.1
95.04958	0.9
97.02881	10.3
99.04441	16.5
101.02360	0.2
101.07113	0.1
103.03929	6.8
103.05432	0.4
105.03372	0.3
105.07030	0.2
107.01325	0.2
107.04934	1.0
109.02866	24.6
109.06539	0.2
110.02464	0.1
110.03154	0.2
110.07133	0.1
111.00771	0.2
111.04418	1.3
113.02378	0.1
113.06008	0.2
115.03906	0.9
115.05413	0.2
117.05494	0.2
117.06985	0.2
119.04063	0.2
119.04926	2.8
120.08097	0.4
121.02848	1.3
121.06477	0.6
123.04419	1.7
125.02327	0.7
127.03901	100.0
128.04233	0.8
129.05437	0.4
129.06914	0.1
129.10249	0.2
131.04900	0.5
133.02850	0.2
133.06473	0.3
135.04395	0.9
136.07625	0.1
137.02269	0.2
137.05951	0.4
139.03850	0.3
140.88771	0.1
141.01779	0.2
143.03435	0.2
145.04942	11.9
147.04390	11.0
148.04831	0.1
149.02312	0.6
149.05977	0.2
151.03902	1.1
153.01808	15.4
154.02156	0.2
157.04927	0.7
157.06178	0.1
159.04373	0.4
161.05968	0.3
163.03902	1.2
163.05995	1.5
163.07364	0.2
165.01810	2.2
165.05501	0.5
165.09108	0.1
167.03305	0.2
167.07008	0.4
168.06570	0.1
169.04961	1.8
169.06326	0.1
171.02887	3.0
171.04343	0.2
171.06558	0.1
173.02344	0.1
173.04504	0.2
173.05994	0.3
175.00101	0.1
175.03860	0.6
177.01808	3.0
177.05443	0.4
178.99695	0.1
179.03351	0.8
179.06920	0.1
181.04950	0.3
183.02876	3.5
183.04491	0.2
185.05898	0.1
187.03920	1.0
187.05984	5.2
187.07407	0.2
189.01816	0.9
189.05440	0.7
191.03363	3.2
191.07019	0.3
193.01266	0.3
193.04953	0.7
193.28812	0.1
195.02869	15.2
196.03160	0.3
197.00821	1.2
199.04152	0.2
199.05977	0.6
199.07545	0.1
201.01781	0.3
201.05423	0.2
203.01709	0.1
203.03329	0.8
205.01260	0.3
205.04929	0.6
205.07036	2.4
205.08856	0.2
207.02872	1.6
207.06442	0.4
209.00879	0.2
209.04422	0.5
209.08028	0.9
211.05901	1.1
211.07660	0.2
213.03831	0.3
213.05573	0.2
215.03368	3.3
215.05429	0.2
216.03859	0.1
217.01299	0.5
217.04976	0.9
217.06880	0.2
219.02866	7.2
220.03160	0.1
221.00763	0.2
221.04428	0.4
223.02312	0.3
223.05971	0.2
225.03944	0.4
227.03349	0.2
227.07051	0.1
227.09114	0.4
229.04892	0.4
229.07034	1.9
231.02852	1.5
231.06429	0.2
233.04448	1.7
235.02295	0.3
235.06003	1.4
237.03909	1.8
237.07516	0.3
241.04877	0.5
243.02852	4.1
243.06522	0.2
245.04391	1.2
245.10168	0.3
247.02397	0.2
247.08109	1.2
249.03842	1.0
253.07059	4.1
255.02869	0.4
255.06392	0.3
255.08693	0.2
257.04483	0.9
259.02332	0.2
259.05841	0.2
261.03925	8.9
262.04163	0.1
263.05331	0.6
267.02832	0.4
267.06244	0.1
269.04428	0.3
271.08124	9.2
273.07535	24.7
274.07898	0.4
275.05389	0.3
279.04938	1.5
281.04422	0.3
283.05817	0.3
285.03873	2.0
285.07520	2.3
287.05472	0.4
289.09149	6.4
291.04984	0.4
293.04471	0.1
297.07602	6.7
299.05051	0.6
303.04947	1.4
305.06412	0.2
307.06854	0.1
307.10123	1.0
309.03836	0.4
309.07477	1.2
311.05441	0.2
311.08807	0.2
313.09488	0.7
315.08566	10.7
321.06293	0.5
323.05331	0.2
323.08838	0.2
325.06921	0.2
327.04843	1.2
327.08554	0.4
329.06577	0.1
331.10181	0.6
335.08972	0.7
339.08603	6.4
340.08963	0.2
341.06293	0.2
345.06085	0.3
349.07397	0.2
349.11261	0.8
351.05499	0.5
351.08585	0.7
353.06436	0.2
353.10239	0.2
355.10187	0.3
357.09637	1.6
361.09204	0.1
363.08597	2.9
365.10358	0.5
369.05862	0.5
369.09796	0.2
371.07541	0.2
373.11185	1.1
375.08356	0.3
377.09882	0.1
379.10205	1.0
381.09641	6.9
382.09732	0.1
383.11340	0.8
387.07495	0.7
389.08902	0.1
391.12473	0.7
393.09579	0.5
397.11282	2.6
399.10657	1.9
401.12326	0.9
405.09634	2.6
407.11511	0.5
407.15533	0.1
411.10733	0.2
415.12317	6.0
417.11740	2.5
423.10553	2.1
425.12268	0.3
429.08542	0.4
433.07886	0.2
433.13455	3.4
435.13074	0.2
441.11688	1.7
443.13623	0.6
447.10687	1.2
451.14545	1.4
459.12741	1.6
465.11963	0.5
471.10544	0.5
473.12543	0.2
483.12851	0.7
489.11526	0.8
491.13275	0.2
495.08740	0.1
499.15591	0.3
501.13800	0.4
507.12912	1.2
509.13806	0.3
513.10437	0.4
519.14929	0.2
523.14453	0.2
525.13922	2.4
527.15302	0.2
531.11511	0.9
541.15454	1.5
543.14935	2.1
549.12885	1.6
555.13947	0.3
559.16229	0.3
561.16199	0.6
567.14398	1.5
573.13574	0.2
577.17578	2.6
579.15527	0.1
585.15283	0.9
589.16687	0.2
591.14984	0.3
597.15808	0.1
603.16125	0.2
607.17700	0.3
609.15894	0.5
615.15021	0.6
627.16675	0.3
633.16101	1.5
639.16693	0.2
651.16962	3.8
653.18134	0.1
657.15619	0.2
669.18073	6.4
670.17786	0.2
675.16272	0.2
687.19086	3.4
693.17584	0.4
699.17700	0.1
705.20270	1.6
711.19086	0.5
717.18256	0.1
723.21155	1.0
729.19446	0.4
735.19611	0.2
771.20483	0.1
777.20026	0.2
779.20966	0.3
795.20251	0.2
797.21600	0.2
813.22223	0.2
815.22894	0.2
831.22882	0.3
833.25140	0.1
849.24353	2.5
1104.04260	0.1
1157.43652	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	1125.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06993	0.3
100.11701	0.2
111.04347	0.3
151.36534	0.2
153.01775	0.3
187.08479	0.2
311.25763	0.4
396.12143	0.4
397.08090	0.3
397.13058	0.7
398.13913	0.3
409.13077	0.3
410.13733	0.7
411.14487	2.5
412.15280	2.5
413.15887	1.6
423.14365	0.7
424.10764	0.6
424.16238	1.0
425.16208	5.8
426.16870	4.5
427.17493	1.3
428.18472	1.0
437.16321	0.3
438.12131	0.4
438.16898	1.0
439.13489	8.4
440.13770	0.9
440.19266	3.0
441.19278	22.4
442.19595	2.3
443.17764	0.2
451.17880	0.5
452.13986	1.2
453.15250	9.9
454.15845	3.2
455.16647	0.5
456.18002	0.2
457.14993	0.7
458.15515	0.6
459.20367	0.6
463.14108	0.5
464.14896	0.3
465.15845	0.6
466.17181	0.3
467.17099	17.4
468.17859	8.7
469.18793	8.7
470.18713	0.8
471.16345	0.6
472.17310	0.4
478.15817	0.3
479.16974	0.4
480.17215	0.8
481.14609	9.9
482.15326	2.5
485.17978	0.9
486.18942	0.4
487.19772	0.4
494.17349	0.6
495.15875	3.1
496.17090	7.3
497.17841	2.4
498.18942	0.4
499.19510	0.8
500.20523	0.3
508.19479	1.0
509.18179	1.9
510.20322	0.3
512.20471	0.9
513.21185	0.3
514.22559	2.3
522.17700	0.9
523.19965	1.0
524.20099	0.4
527.23505	2.1
528.23114	0.3
537.19501	0.2
538.19916	0.3
539.18994	0.3
540.19983	0.4
541.20917	0.3
542.21729	0.9
542.95819	0.3
545.23602	0.5
551.19452	0.3
555.22363	24.1
556.22839	2.2
568.19501	0.3
583.21844	72.0
584.22070	7.3
585.22095	0.6
586.20508	1.0
587.25140	1.2
600.22058	0.4
611.21118	1.8
614.23621	0.9
615.24402	5.1
616.25153	0.4
642.23145	2.5
643.23901	100.0
644.24103	8.7
645.23633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01837	0.3
79.05486	0.1
81.03403	1.0
83.04951	0.4
85.02895	5.7
87.04431	0.4
89.03885	0.1
91.05444	0.3
92.99766	0.2
93.07047	0.1
95.04917	0.2
97.02882	1.5
99.00787	0.2
99.04415	0.4
101.02345	0.2
105.06998	0.2
107.04956	0.5
107.08595	0.2
109.02856	0.9
111.04404	0.2
117.03351	0.7
119.04932	0.2
119.08514	0.2
121.02818	0.2
121.06482	0.8
121.10072	0.1
123.00820	0.1
123.04391	0.2
127.03887	1.2
129.05481	0.6
131.08522	0.1
133.10147	0.2
134.03601	0.7
135.04364	0.2
137.02309	0.3
137.05972	0.3
141.01808	1.4
141.06981	0.1
145.02725	0.1
145.04912	0.4
145.10030	0.1
147.04404	0.6
147.06453	0.2
147.11617	0.1
149.05963	0.5
151.03862	0.3
155.03352	0.2
161.05923	0.1
163.03938	0.2
165.01814	11.1
167.07014	0.7
177.01849	0.2
177.05513	0.2
179.03337	0.4
181.06438	0.4
183.02869	24.8
184.03183	0.2
185.04492	0.1
191.03372	0.8
195.02901	1.5
198.06685	0.1
207.02817	0.1
209.05986	0.3
213.09074	0.2
225.03836	0.2
226.06319	0.1
231.02988	0.1
237.05403	0.3
241.08559	0.2
243.06491	0.4
249.03760	0.2
253.04930	1.8
254.05739	0.6
265.04984	0.3
269.08218	0.1
281.04459	0.4
282.05264	1.1
285.07544	27.9
286.07895	0.6
287.09097	0.5
289.06918	0.1
292.03506	0.2
293.04474	0.8
294.05154	0.2
295.05978	0.1
297.07559	0.5
298.04697	0.5
307.06030	0.2
309.03812	0.5
309.07523	0.4
310.04678	25.7
311.04974	0.7
313.07043	3.3
323.05484	0.2
324.06412	0.2
325.07016	100.0
326.07373	2.5
327.08450	0.2
349.07047	0.2
351.08572	0.2
367.08173	1.0
369.13321	5.6
370.13336	0.1
381.13303	7.7
382.13553	0.1
391.07935	0.2
411.14447	0.2
429.11795	0.3
431.13193	0.1
447.12778	0.2
475.12170	0.1
487.12344	4.9
543.18561	64.5
544.18854	1.9
653.19977	0.4
689.25348	0.2
705.23944	0.1
815.25165	1.1
918.90039	0.1
1103.49121	0.1
1123.57544	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	112.0508
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01895	0.2
53.03929	0.4
54.03475	1.2
54.03701	0.2
54.59631	0.2
55.01847	0.5
55.05512	0.5
56.05023	0.6
56.96561	5.1
57.03427	0.5
58.06586	0.9
58.35225	0.2
67.01871	0.4
67.02977	0.3
67.05491	0.9
68.01378	0.4
68.05021	0.6
68.08312	0.2
68.99789	0.2
69.03428	4.2
69.04550	6.3
69.07072	0.3
70.02947	1.3
70.06589	2.5
70.17482	0.2
70.94261	0.2
71.02431	0.3
71.04976	0.5
71.48196	0.4
71.94098	8.5
71.95261	0.2
79.52036	0.2
81.03410	0.8
81.04527	2.5
82.06589	0.3
83.06090	0.5
84.04501	0.8
84.06407	0.3
84.08134	1.7
85.02881	0.6
85.06537	0.3
86.06063	0.6
88.99139	0.2
89.00270	0.4
89.95125	0.7
94.04049	2.4
94.06557	0.4
95.01337	0.8
95.02446	16.9
95.04961	0.4
95.06089	1.8
96.00867	0.5
96.08147	0.3
98.52843	0.6
98.97575	0.9
100.02488	1.2
112.05082	100.0
112.07599	7.9
112.96719	0.3
112.99991	1.5
113.02358	8.7
113.03483	2.5
113.04742	0.5
113.05351	1.4
113.06030	0.9
113.07123	2.5
116.98630	0.8
118.03538	0.8
119.01908	0.5
130.97717	0.4
132.05032	0.2
134.02777	0.3
134.99644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05483	0.3
81.03408	5.9
81.07043	0.4
83.01326	0.2
83.04599	0.1
83.04980	0.8
85.02895	7.9
85.54706	0.1
86.03226	0.1
87.04460	0.5
91.05462	0.5
93.07033	0.3
95.04926	0.6
95.08586	0.3
97.02881	6.2
97.06502	0.1
99.04443	8.3
101.02377	0.2
103.03928	3.1
103.05428	0.2
105.07028	0.4
107.04931	0.4
107.08562	0.1
109.02866	11.7
109.06520	0.1
109.10125	0.1
111.04421	0.5
113.02318	0.1
115.03917	0.6
117.07016	0.2
119.04945	0.3
119.08584	0.3
121.02882	0.2
121.06509	0.3
121.10127	0.2
123.04404	0.4
124.05172	0.1
125.02342	0.4
127.03901	69.8
128.04272	0.8
129.06953	0.1
131.04865	0.2
131.08560	0.2
133.02817	0.2
133.06465	0.1
133.10124	0.1
134.03574	0.2
135.04398	0.2
137.02341	0.1
137.05977	0.4
139.03897	0.2
141.05411	0.1
145.04944	5.8
145.10095	0.2
147.04369	0.9
149.02354	0.1
149.05981	0.4
151.03874	0.9
151.07552	0.2
155.08594	0.1
157.04936	0.5
159.04407	0.1
159.11665	0.2
161.05988	0.4
163.03882	0.2
163.06052	1.1
163.07419	0.2
165.05528	0.2
165.09190	0.2
167.07036	1.2
168.06583	0.2
169.04962	0.7
169.06285	0.1
170.07330	0.2
173.04465	0.2
175.03859	0.2
177.05440	0.5
179.03363	0.1
181.04950	0.2
187.06001	2.1
187.07607	0.1
189.05449	0.3
189.08980	0.1
191.03427	0.1
191.06923	0.2
193.04880	0.3
198.06718	0.1
199.06004	0.3
201.05464	0.2
203.03363	0.2
203.06934	0.2
205.04971	0.5
205.07057	1.0
207.06491	0.3
209.08055	0.5
211.05968	0.4
211.07758	0.1
213.05504	0.3
217.04970	0.3
223.05942	0.2
226.06277	0.2
227.06973	0.5
227.09198	0.3
229.05104	0.2
229.07083	0.3
235.05946	1.1
241.06937	0.2
243.06546	0.2
244.07066	0.1
245.08034	0.3
245.10258	0.3
247.06004	0.4
253.07062	2.8
259.08118	0.2
261.95609	0.1
262.08344	0.3
263.09161	0.3
267.06540	0.2
271.08115	5.6
275.10577	0.1
279.06485	0.2
280.07236	0.1
283.06046	0.4
287.10590	0.1
289.09122	3.3
293.08078	0.2
295.05673	0.1
295.09326	0.1
296.06876	0.1
297.07526	0.1
303.10031	0.4
304.11115	0.2
307.06815	0.2
307.09958	0.8
308.06711	0.3
311.05371	0.2
311.08835	0.2
313.06439	0.2
313.09628	0.2
315.10052	0.1
317.08304	0.3
318.08810	0.1
319.09692	0.2
321.07581	0.5
321.11234	0.5
322.11743	0.2
323.05896	0.1
323.09030	0.6
323.12531	0.1
324.06219	3.3
325.06851	0.5
325.42169	0.1
326.07721	0.2
327.08524	0.4
331.09985	0.5
332.10422	0.5
333.11328	0.3
335.08948	1.0
336.06271	1.3
336.09976	0.3
337.07040	0.4
337.10696	0.2
338.07742	0.2
339.08588	7.9
340.08939	0.3
341.09998	0.1
343.09729	0.6
345.07425	0.2
346.08224	0.2
347.12875	0.2
349.07184	0.5
349.10880	0.6
350.07785	0.7
350.11539	0.3
351.08545	2.0
351.12296	0.3
353.10120	0.3
357.10162	0.3
359.09045	0.6
360.09879	3.2
361.10678	0.6
363.08563	3.8
363.12973	0.3
364.09329	0.9
365.10123	1.2
365.14044	0.4
366.10553	0.1
369.09552	0.3
373.11130	0.3
375.12241	4.1
376.12979	0.2
377.10223	0.7
378.10947	9.6
379.11063	1.1
380.12271	0.2
381.09302	0.2
381.13489	0.2
390.10672	0.1
391.11874	0.3
393.13278	32.3
394.13687	1.5
395.10922	0.2
396.11990	0.7
397.11340	1.9
398.12857	0.3
405.13370	0.2
411.14322	100.0
412.14682	3.8
415.12323	3.0
416.12473	0.1
423.14395	0.2
433.13394	1.7
435.14133	0.2
437.12335	0.3
451.14407	0.7
453.15341	1.0
471.14349	0.1
475.13925	0.1
501.15305	0.5
519.16449	1.8
537.17200	0.2
541.15430	1.3
543.18762	0.6
555.18134	0.2
559.17700	0.2
560.18451	0.2
561.18762	0.1
573.18976	0.1
577.17596	1.3
645.19336	0.2
655.23431	0.3
657.21570	0.3
663.20807	0.6
681.21796	2.0
699.22791	0.7
717.23175	0.2
771.22217	0.3
789.23889	0.7
807.24908	1.6
825.26062	2.6
826.25427	0.2
843.27014	1.1
861.27606	1.1
1085.15869	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	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02365	0.8
53.03944	18.0
55.01867	4.5
55.05509	5.6
56.05027	0.7
65.03931	4.5
66.04724	0.5
67.05500	56.8
68.05021	7.3
68.05829	1.0
69.04552	4.9
69.07058	2.5
71.62063	0.7
71.94074	1.2
72.93785	1.6
74.99811	0.9
77.99944	1.3
79.05486	31.2
80.05005	0.9
80.05787	0.8
80.72816	0.5
81.03412	34.4
81.04514	1.1
81.07051	45.2
82.03751	0.7
82.06567	5.8
82.07355	1.4
83.06065	1.3
84.65001	0.6
86.00687	3.9
86.50608	5.1
87.00457	35.7
89.50697	0.6
90.94855	0.7
91.05470	9.9
92.05028	1.4
94.04200	3.9
95.51117	1.4
95.81052	0.6
96.00976	10.2
97.51441	0.8
98.01398	1.3
98.51244	7.3
107.04907	1.8
107.08578	1.9
108.95863	1.0
109.02885	7.9
109.06509	100.0
109.07601	14.5
109.10145	35.1
110.03590	0.6
110.06069	6.8
110.07182	14.9
110.10461	1.0
111.96888	1.4
112.96692	1.9
113.96393	15.5
127.25495	0.6
129.97878	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	1107.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05481	0.2
81.03403	5.2
83.01307	0.1
83.04974	0.8
84.04517	0.1
84.08157	0.1
85.02889	6.9
85.14401	0.1
87.04460	0.3
91.05435	0.3
93.07034	0.1
95.04949	0.2
95.08566	0.1
97.02873	5.2
99.04438	7.9
101.02364	0.1
103.03926	3.0
105.07018	0.2
107.04939	0.2
107.08584	0.1
109.02862	10.8
110.03682	0.1
111.04424	0.4
115.03905	0.4
117.03352	0.1
117.05488	0.1
117.07022	0.1
119.04909	0.3
119.08549	0.1
121.02877	0.1
121.06519	0.2
121.10175	0.1
123.04454	0.3
123.08082	0.1
125.02340	0.3
125.05958	0.1
127.03896	58.4
128.04231	0.4
131.04881	0.1
133.06511	0.1
133.10077	0.2
134.03610	0.4
135.04358	0.2
135.08044	0.1
135.11650	0.1
137.02324	0.1
137.05949	0.2
139.03865	0.2
143.03458	0.1
145.04939	5.1
145.10100	0.1
147.04326	0.3
149.02371	0.1
151.03903	0.4
151.04977	0.1
153.01778	0.1
153.05478	0.1
154.08621	0.1
157.04935	0.3
159.04326	0.1
159.07964	0.1
161.05949	0.2
163.03874	0.2
163.06044	0.7
163.07430	0.1
165.01778	0.3
165.05431	0.2
165.09171	0.1
167.03378	0.1
167.07018	0.6
168.06508	0.1
169.04967	0.6
173.04419	0.1
173.05881	0.1
175.03839	0.2
177.05403	0.2
177.09039	0.1
181.04930	0.2
183.02873	0.4
185.05765	0.1
187.05995	1.8
189.05479	0.2
191.07025	0.2
193.05038	0.3
197.05934	0.1
199.05939	0.3
205.04968	0.2
205.07039	0.8
207.06523	0.3
209.07982	0.4
211.06027	0.3
213.05428	0.1
214.06250	0.2
217.04967	0.3
217.06935	0.1
222.72482	0.1
223.05873	0.1
225.05440	0.1
226.06381	0.1
227.09132	0.2
229.06985	0.5
235.05943	0.8
239.07205	0.1
241.04932	0.8
241.07153	0.1
242.05684	0.3
245.10158	0.1
247.08018	0.2
253.04884	0.1
253.07027	1.9
255.06383	0.1
257.08105	0.2
267.06454	0.1
268.03561	0.1
269.04416	0.3
270.05185	1.3
271.08102	4.4
281.04352	0.2
281.08011	0.1
283.05847	0.3
285.07550	0.2
286.04562	0.1
289.09116	1.8
294.05203	0.1
295.05777	0.1
297.03873	0.2
297.07449	0.2
298.04672	25.3
299.05026	0.7
301.07022	0.9
307.10147	0.3
309.07574	0.2
310.04715	0.2
311.05435	0.2
313.06992	100.0
314.07358	2.3
315.08646	0.5
324.06268	0.1
325.06967	1.2
325.10791	0.1
327.08426	0.1
331.10272	0.2
337.06702	0.3
339.04770	0.2
339.08316	0.1
343.08160	0.2
347.09268	0.1
349.11273	0.1
351.08432	0.1
355.07983	1.0
365.10452	0.1
367.07742	0.1
367.11826	0.7
369.13272	31.5
370.13708	0.8
373.11069	0.1
375.08652	0.1
379.10449	0.4
391.07849	0.1
393.09628	0.2
395.11096	0.2
397.11243	1.0
403.08313	0.3
409.09113	0.2
411.14252	0.4
415.12265	2.0
416.13242	0.1
421.09073	0.8
433.13449	0.8
439.10123	0.3
449.69391	0.1
451.14282	0.2
457.11182	0.2
459.14130	0.3
463.12173	0.2
475.12280	1.8
477.15460	1.2
495.16467	0.1
513.17377	0.4
531.18530	7.5
532.18536	0.2
541.15521	0.5
557.16779	0.2
559.14667	0.1
565.13348	0.1
577.17712	0.2
583.14355	0.5
601.15747	0.4
603.18787	0.1
613.22656	1.4
615.21014	0.3
619.16290	0.3
621.19623	0.1
639.20697	0.8
657.21564	1.1
675.22589	0.6
693.23431	0.1
709.17377	0.1
727.18665	0.4
736.69745	0.1
745.18994	0.3
747.22528	0.2
763.21063	0.1
765.23877	0.8
775.28009	0.4
777.25293	0.2
783.24744	2.5
784.24969	0.1
801.11816	0.1
801.25854	2.0
819.26868	2.9
820.26447	0.1
837.27783	0.1
889.23297	0.1
909.27576	0.1
927.29303	0.3
945.30023	1.3
946.30261	0.1
963.31256	0.5
981.32428	0.9
1107.37280	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	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02383	1.5
53.03943	34.0
54.04279	0.9
55.01877	0.4
55.05497	0.3
56.96552	1.2
67.05499	2.6
69.92818	0.7
69.93224	0.4
72.08166	0.3
74.99799	0.2
79.05476	0.5
81.03413	100.0
81.07039	1.1
82.03746	2.8
82.06573	0.3
84.01572	0.3
84.04499	0.4
86.50628	1.5
87.00471	0.3
87.04299	0.2
95.51173	0.3
95.52381	0.2
98.97546	0.4
100.02477	0.4
104.01250	0.2
106.02849	0.3
109.02873	6.1
109.06519	0.6
109.07626	0.3
109.10142	1.5
110.06024	1.4
110.07224	0.4
112.96693	0.6
118.03541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
50.01587	0.5
51.02177	0.3
51.02374	1.4
53.03941	33.8
54.04279	0.9
55.01879	0.5
55.05509	0.3
56.05034	0.3
56.96561	0.8
57.05818	0.6
65.03924	0.5
67.04234	0.5
67.05497	3.9
67.05830	0.4
67.71018	0.2
68.05023	2.3
69.05804	0.3
70.09203	0.7
70.09612	0.5
72.08130	0.2
72.93806	0.2
78.59647	0.2
79.05481	0.7
80.05022	0.4
81.03409	100.0
81.07047	1.9
82.03738	2.7
82.06565	2.3
84.08121	0.3
86.00699	0.2
86.50616	0.7
87.00455	2.3
92.05000	0.5
96.00987	0.5
96.02115	0.2
107.08547	0.3
109.02109	0.4
109.02863	5.3
109.06526	1.0
109.07629	6.5
109.10153	1.7
109.35434	0.2
110.06036	2.8
110.07184	0.5
112.96722	0.2
113.96404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.9
53.03705	2.5
53.03943	39.6
53.21722	1.1
54.04282	1.3
60.43789	1.0
60.76745	1.3
62.74245	1.0
70.20863	3.9
81.03412	100.0
82.03743	2.4
98.21439	1.1
107.51244	1.1
109.02855	4.5
109.04048	1.4
110.06032	12.0
110.07147	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	1070.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04478	3.1
79.05486	3.3
81.03412	1.4
81.07047	12.9
83.04973	8.0
83.08615	3.0
85.02894	48.6
86.03210	0.4
86.06046	0.6
86.09709	0.2
87.04464	0.8
91.03944	3.5
91.05457	4.1
93.07033	7.9
94.21927	0.2
95.01314	3.4
95.04966	1.3
95.08595	28.5
97.02868	4.7
97.06487	0.4
97.10148	1.7
98.20732	0.5
99.00793	0.4
99.04436	1.3
101.02366	10.2
101.03014	0.7
101.05988	0.4
103.03926	1.2
105.07018	8.0
107.08583	15.7
109.02865	1.6
109.06387	0.3
109.10143	17.3
111.04430	8.4
111.11695	1.6
113.02362	0.5
115.03922	0.7
117.06984	1.1
119.08567	12.4
121.10130	13.9
123.10794	0.5
123.11691	9.0
123.12566	0.6
125.02227	0.3
127.03902	30.6
129.05466	16.5
129.07010	0.7
131.03519	0.4
131.08566	2.4
133.10123	10.4
135.11678	10.3
136.07520	0.3
137.13228	5.6
139.03874	0.5
141.01811	12.9
142.07719	0.3
143.08540	1.2
144.09364	0.4
145.04942	29.8
145.10098	4.6
146.05301	0.5
147.04604	0.4
147.06506	9.6
147.11668	8.0
149.13249	7.0
149.14198	0.2
151.14813	0.9
157.10083	1.5
158.10886	0.5
159.02872	4.5
159.11681	5.2
161.13240	8.1
161.14578	0.5
163.06003	8.6
163.14799	4.4
164.09201	0.9
165.07584	1.1
167.06998	0.6
169.04848	0.4
171.06613	0.3
171.11693	1.1
173.13242	4.5
175.14790	5.3
177.03947	0.6
177.05447	0.3
177.16370	10.8
179.14290	0.3
179.17892	1.6
181.04982	0.3
185.13237	1.3
187.14798	4.2
188.09299	0.3
189.16360	8.8
189.18073	0.4
191.17920	10.2
195.06497	0.4
199.14798	1.2
201.16360	8.9
203.17934	11.6
205.19519	2.6
207.17392	1.7
213.07498	0.4
213.16344	1.6
215.17949	5.5
217.19492	10.8
217.21558	0.5
218.54170	0.3
219.21135	1.7
225.07652	0.4
227.17961	3.0
229.19492	6.4
231.21045	2.5
237.07513	0.5
241.19481	1.9
243.21098	2.7
245.22659	1.8
253.23303	0.3
255.08670	2.3
255.21107	3.8
256.21356	0.3
257.20023	0.5
257.22577	3.8
259.08041	0.3
259.24142	0.4
261.06036	0.4
269.06512	1.1
269.22604	4.6
271.24246	1.6
273.09628	1.8
283.24088	1.6
287.07672	2.7
291.10797	0.4
295.23981	0.3
297.25735	1.7
303.06891	0.4
305.08615	4.1
309.11755	3.7
309.25732	0.6
311.27304	0.6
313.28955	0.3
321.08191	1.0
323.09665	1.5
323.27475	0.5
337.28757	0.7
339.09161	1.9
365.32010	0.5
381.13165	0.4
383.20517	0.6
396.08710	0.3
400.37869	0.3
405.24728	0.3
407.36676	100.0
408.37036	3.9
425.37692	6.5
431.11877	0.3
463.93414	0.3
465.02979	0.3
516.41339	0.3
551.40790	2.0
601.40924	1.9
764.11475	0.3
1070.53210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04082	0.4
75.04469	3.7
77.03899	0.4
79.05478	3.9
81.03409	0.9
81.07046	14.6
83.01317	0.3
83.04467	0.3
83.04971	6.3
83.08607	2.6
84.08138	0.3
85.02893	44.4
86.03197	0.2
87.04445	0.7
91.03951	2.7
91.05458	4.6
93.07030	11.3
95.01314	7.8
95.04961	1.6
95.08593	29.9
96.08936	0.4
97.02876	5.0
97.06504	0.5
97.10139	1.7
99.00821	1.1
99.04433	1.7
99.08067	0.4
101.02366	15.5
101.06020	0.4
103.03950	1.1
103.05458	0.4
105.06289	0.3
105.07015	13.9
107.08581	19.5
108.08859	0.3
109.02853	1.3
109.06501	1.2
109.10141	21.2
111.04425	5.4
111.08061	4.0
111.11707	1.6
113.02368	1.4
115.03945	0.5
115.05418	0.3
117.06996	1.4
119.08564	17.6
120.08913	0.2
121.10125	17.8
122.10432	0.5
123.00795	0.4
123.04398	0.3
123.08033	0.3
123.11695	8.8
125.09589	0.4
127.03900	37.1
128.04268	0.4
128.06140	0.3
129.04494	0.3
129.05469	9.4
129.07016	0.9
131.03378	0.7
131.08549	4.8
133.10114	15.2
135.08116	0.3
135.11674	12.0
137.05934	0.3
137.09555	0.4
137.13240	2.3
139.03859	0.6
139.11183	1.3
141.01805	19.0
142.07764	0.3
143.08589	2.1
144.09308	0.7
145.04939	42.5
145.10100	9.6
145.11264	0.4
147.04465	0.4
147.06490	5.1
147.11665	13.3
149.13239	10.5
151.03810	0.4
151.11151	0.8
151.14735	0.3
153.12682	0.2
155.08533	0.4
156.09338	0.3
157.10103	3.6
158.10873	0.6
159.02872	3.4
159.11668	11.5
160.12135	0.3
161.13231	13.4
163.06010	4.8
163.14798	7.9
165.01842	0.4
165.07596	0.3
165.12724	1.1
165.16367	0.3
167.07033	0.5
169.10190	0.4
170.10971	0.4
171.06493	0.3
171.11670	2.4
172.12381	0.4
173.13232	7.9
175.14799	9.6
176.15254	0.3
177.03929	1.1
177.05389	0.2
177.12862	0.3
177.16367	11.4
177.26088	0.2
179.14297	0.4
179.17906	2.0
181.10110	0.3
183.02959	0.3
183.11665	0.7
185.13229	2.3
186.14023	0.3
187.14799	8.1
188.09090	0.2
189.16356	11.2
191.14320	0.6
191.17908	5.5
193.15878	1.2
193.19489	0.3
195.06488	0.3
195.17442	0.4
197.13260	0.7
199.14772	3.5
200.15465	0.4
201.16351	16.7
203.17929	15.5
204.18355	0.3
205.15846	4.7
205.19470	3.3
207.17409	2.1
211.14787	0.8
213.16360	3.3
214.16911	0.3
215.14606	0.3
215.17924	6.9
217.16055	3.0
217.19485	13.0
218.19672	0.3
219.17459	2.1
219.20979	1.1
220.71832	0.2
221.18990	0.5
223.16901	0.3
225.16348	0.8
227.17917	5.0
228.18607	0.4
229.16017	0.3
229.19470	6.9
231.17421	1.0
231.21046	1.9
233.18976	1.0
235.20543	0.6
239.17879	1.1
241.19458	2.5
242.19946	0.3
243.21030	4.3
245.18976	2.2
245.22577	0.8
247.20470	0.5
253.19533	0.8
255.08461	1.3
255.21030	3.5
257.22610	3.7
259.20538	1.1
259.24197	0.5
261.22131	0.6
265.19601	0.3
267.21030	1.1
269.06558	0.5
269.22626	4.0
271.20779	0.5
271.24167	1.3
273.09589	0.5
273.22025	0.3
281.22571	0.9
283.24179	2.0
285.22171	0.6
285.25735	0.5
286.65063	0.3
287.07581	0.9
291.10632	0.4
295.24115	1.7
297.25818	1.8
303.06903	0.4
305.08676	2.1
309.08377	0.2
309.11618	1.2
309.25702	0.8
311.27252	0.9
313.25107	1.4
321.08041	0.7
323.09677	0.6
325.28922	0.3
335.27362	0.5
337.28677	0.5
339.09055	0.7
349.28891	0.3
353.28220	0.3
363.30426	0.5
365.19522	0.3
365.31958	6.9
379.11670	0.4
393.13403	0.4
393.35022	0.9
395.36688	0.5
405.35107	24.9
406.35165	1.1
407.36597	0.5
411.14175	0.4
423.36151	100.0
424.36407	3.5
441.37219	4.7
537.39282	0.8
549.39301	1.6
562.75812	0.3
567.40295	4.5
569.41699	0.4
581.38263	10.7
582.38678	0.5
585.41351	0.5
599.30090	0.5
599.39374	7.7
617.39838	0.4
725.42133	1.1
743.42871	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
58.06590	2.6
58.82774	0.1
59.07367	0.7
60.08157	29.5
61.08483	0.2
63.68697	0.1
69.03406	1.0
69.82983	0.8
73.85092	0.1
83.68401	0.1
86.06059	1.0
86.06512	0.1
87.04462	3.3
104.10733	100.0
105.11044	0.7
118.17923	0.1
123.31813	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
58.06592	5.5
59.06115	1.8
59.07370	1.1
60.06446	2.2
60.08162	35.2
61.97438	0.5
62.60411	0.4
64.01893	3.0
71.44271	1.3
72.04507	0.8
74.06070	1.7
86.06062	1.6
86.09698	0.7
87.04463	1.6
95.04956	0.9
103.05457	0.6
104.10742	100.0
104.60133	0.5
105.04519	1.6
105.07037	0.9
105.11080	1.1
110.08454	0.6
119.21545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02910	5.3
75.04470	3.6
79.05489	3.7
81.03407	0.9
81.07049	14.5
83.04967	7.0
83.08607	4.6
85.02893	40.4
86.03236	0.6
86.06051	0.4
87.04477	1.0
91.05455	3.6
93.07034	9.0
95.01315	2.2
95.04965	1.2
95.08595	30.6
96.08953	0.3
97.02879	12.8
97.10153	3.1
99.04420	1.8
101.02370	10.8
101.06026	0.4
103.03945	0.6
103.05424	0.5
105.07018	8.4
107.04955	0.3
107.08579	17.4
109.02858	0.9
109.06516	0.5
109.10143	20.1
110.10517	0.2
111.04424	7.6
111.11701	1.6
113.02351	1.5
113.05991	0.4
115.03913	7.1
117.05479	0.7
117.07005	0.7
117.86368	0.2
119.08566	13.3
120.08926	0.3
121.10126	16.0
123.00815	0.4
123.11694	10.3
125.02361	0.4
125.06013	0.3
125.13268	0.5
127.03899	31.4
128.04236	0.3
129.05466	11.8
129.06956	0.5
131.08546	2.6
133.04997	1.3
133.10110	12.1
134.10423	0.3
135.04413	0.6
135.11674	12.0
136.12030	0.3
137.02290	0.3
137.13234	7.4
139.03899	0.9
141.01811	8.5
143.03435	0.3
143.08530	1.4
144.09293	0.4
145.04944	23.4
145.10101	5.4
146.08154	0.7
147.06500	6.0
147.11664	10.3
149.13240	8.4
150.13547	0.4
151.14787	0.9
153.05478	0.2
157.04916	1.5
157.10121	1.2
158.10861	0.4
159.02873	3.3
159.11678	7.7
160.12337	0.3
161.13240	8.3
161.75133	0.2
162.13654	0.2
163.05972	1.2
163.14803	6.7
164.09154	1.4
164.15213	0.3
164.32739	0.2
165.07593	0.9
165.16414	0.5
171.06537	1.1
171.11684	1.0
173.13235	4.5
173.14668	0.4
175.14799	5.9
175.16241	0.4
177.03998	0.4
177.16364	11.9
179.07024	0.4
179.17975	1.1
181.04948	0.3
183.06491	0.6
185.13245	1.6
187.14807	4.8
188.09119	0.4
189.16359	11.6
191.17928	13.6
197.13202	0.3
199.06009	0.4
199.14752	1.1
201.16348	10.9
202.16698	0.3
203.17935	14.9
204.18163	0.4
205.19479	3.4
207.17464	1.0
213.07553	0.3
213.16299	2.1
214.17159	0.3
215.17937	6.2
215.19870	0.4
217.06949	1.4
217.19484	11.7
218.19838	0.5
219.05013	0.6
219.21063	1.8
225.07553	5.8
227.17918	3.5
229.19479	8.3
231.08704	0.3
231.21024	4.5
231.23152	0.3
241.19501	2.1
243.04933	0.3
243.08635	3.4
243.21021	3.7
244.21414	0.3
245.22643	2.0
255.05009	0.6
255.21077	3.9
257.22607	4.9
259.24002	0.4
261.09659	1.5
269.06592	0.9
269.22610	5.2
271.24149	1.9
273.05899	1.6
279.10727	6.0
283.24182	2.0
285.25748	0.6
287.07520	1.7
291.07108	0.8
295.24222	0.3
297.25766	2.1
299.27121	0.3
305.08646	2.4
309.08136	1.2
309.25696	0.3
311.27298	0.8
323.09781	1.0
323.27411	0.5
337.29010	0.6
351.30411	0.6
364.31262	0.4
365.32245	0.6
401.10611	0.4
407.36670	100.0
408.37018	5.2
425.37686	5.7
426.38110	0.3
455.13721	0.3
551.41010	1.4
553.42212	0.5
601.40741	1.5
770.63739	0.3
1040.54688	0.6
1075.28931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.03939	13.3
56.05030	5.0
56.34723	0.8
56.96561	9.8
57.03430	1.4
57.05354	4.9
58.06598	7.0
58.96142	1.0
59.06120	23.0
60.02144	4.0
60.04523	4.8
60.08154	1.9
60.71186	0.7
61.04031	1.2
62.06081	11.3
67.28751	0.7
67.51065	1.0
69.03432	1.0
69.52263	5.8
69.91620	0.8
72.08147	0.9
73.07672	4.4
74.06066	1.4
75.04472	1.4
75.05598	2.4
77.03928	3.7
79.52022	1.3
81.03381	0.9
85.02881	2.4
85.04809	1.3
85.07669	2.4
86.06060	12.9
86.09657	1.1
87.04453	4.6
88.01614	2.5
88.02379	1.2
88.52529	1.0
95.04960	35.0
96.05307	0.8
98.20773	1.7
102.04668	4.2
103.04006	6.3
103.05460	100.0
103.08691	21.0
103.09399	1.3
104.05784	2.2
104.07069	0.8
104.10736	7.3
105.04531	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	1033.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08138	0.1
73.02906	2.0
79.05479	0.4
81.03407	7.7
81.07051	0.6
83.01324	0.3
83.04976	1.4
84.08128	0.3
85.02892	9.9
85.06541	0.3
86.03201	0.1
87.04451	0.6
87.52225	0.1
91.03958	0.1
91.05476	1.4
93.03448	0.1
93.07021	0.5
95.04943	0.7
95.08579	0.8
97.02877	6.6
97.06519	0.2
99.00825	0.1
99.04439	11.1
101.02381	0.2
103.03931	3.7
103.05432	0.2
103.12881	0.1
105.01859	0.2
105.07003	0.6
107.04954	0.3
107.08559	0.5
109.02864	16.2
109.06490	0.2
109.10168	0.3
110.03729	0.2
111.04424	0.5
113.65137	0.1
115.03907	0.6
115.05506	0.2
117.03387	0.2
119.04920	0.6
119.08553	0.5
121.02848	0.4
121.06484	0.3
121.10143	0.3
123.04412	1.1
123.11726	0.1
125.02347	0.4
127.03898	77.7
128.04280	0.6
129.06955	0.1
131.04904	0.3
131.08536	0.2
133.10118	0.2
134.03636	0.1
135.04379	0.4
135.11642	0.2
137.02306	0.3
137.05962	0.5
139.03880	0.2
140.06900	0.2
141.05469	0.4
145.02954	0.3
145.04938	6.3
145.10063	0.3
147.04398	1.8
148.04834	0.2
149.02347	0.2
149.05956	0.3
149.13245	0.2
151.03868	0.8
151.07549	0.3
153.05460	0.3
157.04921	0.4
159.11626	0.2
161.05978	0.5
161.13216	0.2
163.03889	0.4
163.06010	0.8
163.07358	0.2
163.11147	0.1
165.05505	1.0
167.07050	1.8
167.08459	0.2
168.06528	0.2
169.04935	0.7
173.13153	0.2
175.03911	0.5
175.07547	0.2
175.14734	0.2
177.05440	0.4
179.03410	0.3
179.07047	0.2
179.10754	0.2
179.86827	0.1
181.04897	0.4
187.05991	2.4
187.07539	0.1
189.05426	0.2
191.03363	1.1
191.14368	0.2
193.04935	0.5
199.05954	0.4
205.05121	0.2
205.07021	0.9
207.06476	0.9
208.03720	0.2
209.04445	1.6
209.08025	0.5
209.33786	0.1
211.05911	0.2
213.05464	0.2
215.10657	0.2
217.04912	0.3
217.06877	0.2
223.07552	0.3
227.09038	0.2
229.07011	0.3
235.05930	0.9
237.05591	0.2
239.07001	0.4
247.08035	0.2
249.05664	0.2
250.06335	0.2
251.07060	0.4
253.04712	0.3
253.07056	2.3
255.06502	0.6
256.06851	0.2
257.08017	0.2
267.06424	1.1
268.07391	0.5
269.08084	0.2
270.05304	0.2
271.08133	4.9
278.05753	0.3
279.06512	0.4
283.06049	0.6
283.09589	0.2
285.07706	0.8
289.09131	2.5
295.05936	1.3
296.06808	1.9
297.07422	0.2
301.07040	0.2
303.06259	0.1
306.05316	0.3
307.06049	0.2
307.10068	0.2
309.07483	0.3
311.05490	0.4
311.09128	1.6
312.06354	0.6
313.06635	0.2
321.07440	0.9
323.05573	1.1
323.08984	0.3
324.06235	30.4
325.06863	1.2
327.08578	3.7
327.12509	0.2
331.10254	0.2
335.09039	0.2
336.06198	0.2
337.07007	0.6
338.07919	0.2
339.08575	100.0
340.08948	2.1
345.09637	3.0
349.10986	0.3
351.08560	0.5
353.10284	0.5
357.09631	27.4
358.10019	0.5
363.08554	0.2
369.09668	0.5
379.10529	0.4
381.09390	0.7
387.10709	0.4
389.12338	0.4
397.11328	1.2
401.10126	0.2
411.14792	0.2
415.12277	2.3
433.13434	1.0
435.10583	0.3
439.17477	6.8
440.18253	0.2
447.10880	0.7
451.14334	0.2
453.11670	0.2
455.16385	0.2
457.18521	45.8
458.18842	0.9
465.11581	0.9
499.19382	0.5
501.13876	0.3
519.14453	0.3
529.17419	0.2
541.15424	0.6
547.19263	0.6
565.20764	1.3
577.17352	0.4
583.21704	0.3
601.22235	0.4
609.15619	0.3
619.23608	0.6
627.16492	0.4
645.18134	0.3
691.23199	0.4
701.27545	0.5
703.25598	0.6
709.25293	0.7
727.25745	3.0
741.20087	0.2
745.26727	1.0
753.19427	0.3
759.21063	0.3
763.28503	0.2
817.26965	0.3
835.27728	0.8
853.28986	2.1
871.29907	1.3
889.30377	0.8
905.76514	0.2
907.31555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01329	0.1
71.04991	1.3
73.02907	2.3
79.05464	0.4
81.03405	9.3
81.07049	0.3
82.65254	0.1
83.01331	0.2
83.04967	1.4
83.98025	0.1
85.02895	11.8
87.04455	0.6
87.32288	0.1
89.03875	0.1
91.03942	0.2
91.05465	0.3
93.07039	0.2
95.04959	0.5
95.08584	0.2
97.02880	8.2
99.04442	13.5
103.03931	4.5
103.04625	0.2
103.05428	0.1
105.03382	0.3
105.07016	0.2
107.04937	0.3
107.08523	0.1
109.02867	17.8
109.06516	0.3
111.04430	0.4
115.03929	0.7
115.05409	0.2
117.06975	0.2
119.04948	0.2
119.08543	0.1
121.02864	0.3
121.06512	0.2
123.04410	0.4
125.02290	0.6
127.03901	100.0
128.04225	0.5
129.06978	0.1
131.04906	0.4
131.08501	0.2
133.02826	0.4
133.06467	0.2
134.03618	0.4
135.04413	0.6
135.08101	0.1
137.02348	0.2
137.05956	0.7
139.03888	0.3
141.05397	0.2
143.08521	0.1
144.23190	0.1
145.04941	7.9
147.04480	0.1
149.05974	0.2
150.03125	0.3
151.03880	1.8
153.05402	0.2
153.06921	0.1
157.04996	0.3
157.06435	0.1
159.04379	0.4
161.05997	0.5
163.03931	0.6
163.06039	1.1
163.07437	0.2
165.05508	1.1
165.09126	0.2
167.07068	0.2
169.04947	1.0
169.06393	0.2
171.08051	0.3
173.04453	0.2
173.05882	0.1
175.03906	0.2
175.07521	0.5
177.05423	0.3
179.08545	0.1
181.04965	0.3
183.08099	0.2
185.05977	0.2
187.05994	2.5
187.07532	0.4
189.05493	0.6
191.03389	0.1
191.07057	0.2
193.04932	0.4
193.10107	0.2
195.16251	0.1
197.05981	0.2
199.05952	0.4
199.07588	0.3
201.05292	0.1
201.09045	0.1
205.05013	0.3
205.07066	1.1
207.06458	0.2
208.08850	0.1
209.08109	0.4
209.09814	0.2
211.05978	0.4
211.07693	0.2
211.11299	0.1
212.08308	0.3
213.05431	1.5
213.12801	0.1
215.07027	0.1
217.04936	0.4
217.10161	0.1
223.11176	0.3
224.04588	0.1
224.08441	0.1
224.11885	0.1
225.05478	0.4
225.09050	0.7
226.09892	0.4
227.06998	0.3
227.09000	0.3
229.06931	0.8
231.06450	0.1
233.09720	0.1
235.05954	1.2
235.11143	0.1
237.02734	0.2
237.08952	0.2
238.06235	0.2
239.07011	0.2
239.10696	0.4
240.11395	0.2
241.08636	0.2
241.12212	0.5
243.10307	0.1
245.10020	0.4
247.07780	0.3
248.08290	0.2
249.09171	0.3
251.06985	0.7
253.06815	2.6
253.12346	0.2
255.06433	0.2
261.09149	0.2
262.09802	0.2
263.07071	0.1
263.10687	0.3
265.08484	0.2
266.09341	0.2
267.10104	1.0
269.07904	0.7
271.08081	5.7
273.09109	0.3
277.08658	0.3
283.05966	0.4
284.10294	0.1
285.11304	0.6
287.09259	0.4
288.07428	0.1
289.09076	3.1
289.12311	0.2
290.09387	0.3
291.10117	0.2
293.08096	0.2
301.08505	0.3
301.12106	0.3
302.09241	0.1
303.10248	0.1
304.10794	0.2
305.07977	0.3
307.09634	0.5
309.12024	0.1
310.04611	0.4
310.07932	0.2
311.10400	0.2
313.09406	0.6
315.09854	0.2
317.07980	0.3
317.11545	0.2
318.08801	0.4
319.09589	0.4
319.13379	0.3
320.10504	0.2
321.07654	0.3
322.04840	0.3
324.06427	0.3
325.06982	1.3
325.12378	0.1
326.12979	0.2
327.14087	0.2
329.07904	0.3
329.11789	0.6
330.08716	0.3
331.09915	0.6
332.10266	0.1
333.07553	0.3
333.11169	0.8
334.08322	0.4
335.05569	0.1
335.09106	0.6
335.12741	0.2
336.06180	0.5
336.10010	0.3
337.06989	0.6
337.10568	0.2
339.09247	0.2
341.08002	0.2
341.11780	0.2
343.09579	0.4
343.13364	0.3
344.13971	0.2
345.07355	0.2
345.11136	0.3
346.08307	2.0
346.12103	0.2
347.09015	0.7
347.12762	0.6
348.09760	0.7
349.06894	0.3
349.10825	0.8
350.07654	0.3
351.08539	1.3
352.09598	0.1
355.09546	0.2
355.13409	0.2
357.07504	0.2
357.11255	1.5
358.08319	0.8
358.12054	0.2
359.09045	0.3
360.09930	0.3
361.10678	4.1
361.14438	0.4
362.07953	0.3
362.11612	0.1
363.08463	0.7
363.12347	0.5
364.09372	3.6
365.10410	0.5
367.11911	0.9
370.08395	0.4
371.08920	0.5
371.12985	0.6
372.09644	0.3
372.13660	0.3
373.10538	1.5
373.14337	0.2
374.07614	0.1
375.08566	0.3
375.12387	2.6
376.09113	0.6
376.13358	0.2
377.10040	0.9
378.10580	0.6
379.11731	11.2
380.12048	0.3
381.13446	0.6
382.12146	0.5
383.12509	0.2
385.10623	3.1
385.15350	0.2
386.11417	0.5
387.12128	0.4
387.16315	0.2
388.09454	0.3
389.09964	0.4
389.14429	0.7
390.10776	0.5
390.15042	0.2
391.11563	2.1
391.15808	0.2
393.13327	0.5
397.10370	1.2
399.12158	0.7
400.12964	2.2
401.13611	0.3
403.11700	3.5
405.13138	0.3
405.17410	0.3
411.14346	0.4
415.11633	0.8
415.15305	4.2
417.13074	0.9
418.14063	6.9
419.14642	0.3
431.15186	0.2
433.16440	83.0
434.16794	2.2
445.16394	0.5
451.17484	49.7
452.17651	1.0
459.14090	0.2
475.17755	0.7
493.18317	0.3
499.17267	0.2
523.17651	0.6
541.18408	1.7
559.19830	0.6
577.18536	0.5
595.22296	0.7
677.25824	0.7
679.23572	0.3
683.47888	0.1
685.21704	0.3
697.24097	0.1
703.23706	1.7
721.24780	1.3
739.26099	0.8
763.26471	0.1
776.19147	0.1
781.26050	0.3
811.25183	0.3
829.26978	1.2
847.27905	3.3
865.28894	3.3
883.30060	4.5
901.30853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00318	0.4
72.08150	0.3
73.02929	0.2
73.04035	1.6
74.02446	0.2
74.06075	23.5
75.02702	0.4
79.05487	0.6
81.03420	0.7
81.07052	0.9
82.02935	0.7
82.06571	0.3
83.01329	0.2
83.04976	1.5
83.08603	0.3
84.04502	2.8
84.08131	1.2
85.01138	0.3
85.02924	1.0
85.04022	8.4
85.06575	0.1
85.08918	0.4
86.06046	0.3
86.09698	8.4
87.77583	0.1
88.03996	0.1
91.05476	0.8
93.07041	0.7
94.06559	0.4
95.04953	0.6
95.08611	0.8
96.04485	0.9
96.08121	5.0
96.08778	0.3
97.02904	0.8
97.06497	0.4
97.10139	0.2
98.06001	0.2
98.09680	1.5
99.04437	0.2
100.03976	0.3
101.07136	0.9
102.03771	0.5
102.05542	1.5
103.05451	0.2
105.07034	1.8
107.04222	0.1
107.04939	0.4
107.08586	1.1
108.08107	0.3
109.02876	0.8
109.06538	0.2
109.08984	0.2
109.10148	2.5
110.06036	0.5
110.09703	0.2
111.04355	0.1
111.05518	0.2
112.03960	0.6
112.07607	0.6
112.11219	0.2
113.07153	0.2
113.10757	7.7
114.09177	0.3
115.03921	0.1
115.05493	0.3
115.12366	0.1
116.10719	0.4
117.07006	0.2
119.01613	0.3
119.04931	0.6
119.08590	0.6
120.04778	0.9
120.08114	0.7
121.03146	0.1
121.10137	0.7
122.09656	1.0
123.04430	0.2
123.08094	0.2
124.07583	2.3
124.11218	4.1
124.12136	0.2
126.12803	0.2
127.03900	1.9
129.10219	0.3
130.03220	2.0
130.04128	0.2
131.04933	0.2
131.08507	0.2
132.10188	1.4
133.06487	1.3
133.10135	0.5
134.09654	0.3
135.08051	0.4
135.11711	0.4
136.07558	0.2
137.05966	0.4
138.05504	0.1
138.09151	0.3
139.12323	0.2
140.03415	1.2
140.10649	0.6
141.01749	0.2
141.10217	22.9
142.03191	0.2
142.08638	0.4
142.10637	0.3
143.08508	0.2
144.10172	0.7
145.02831	0.1
145.06516	0.2
145.10141	0.4
147.02765	0.2
147.03107	0.2
147.04405	2.7
147.11696	0.3
148.04198	1.1
148.07539	0.2
149.06018	0.2
149.13200	0.2
150.09169	1.1
151.03871	0.2
151.12283	0.2
152.10696	6.1
153.11305	0.1
156.06506	0.2
157.06404	0.1
158.11734	0.2
159.11699	0.3
161.05995	1.9
161.13341	0.2
163.03812	0.1
164.07031	0.3
166.05333	0.4
167.07033	4.1
168.07434	0.1
168.10184	1.8
169.09798	1.1
169.13353	25.2
170.11877	0.7
170.13698	0.3
173.05995	0.2
173.09689	0.2
173.13275	0.2
175.07465	0.2
175.14763	0.3
177.05450	0.4
177.16348	0.2
179.07036	0.2
179.08604	0.1
181.08633	0.2
182.08133	0.3
185.12904	0.5
187.10767	7.3
187.14415	0.3
188.11044	0.2
189.16325	0.2
193.08589	2.3
196.09685	1.0
197.12827	1.9
198.09415	0.5
198.11243	1.6
201.16350	0.2
207.06551	0.3
211.09509	0.6
215.13895	47.7
216.10548	0.4
216.12376	0.2
216.14128	0.8
229.08502	0.2
233.13179	16.5
234.13432	0.2
235.09668	0.2
244.09967	0.6
253.37607	0.2
261.12662	6.7
262.11063	2.6
271.16647	0.2
279.13715	100.0
280.14038	1.2
287.05338	0.2
297.12003	0.2
301.07120	0.2
307.06168	0.2
313.06635	0.2
325.07086	0.3
339.08606	0.4
341.17352	0.2
361.10718	0.3
379.11725	1.0
379.15714	0.2
387.15707	0.2
393.13336	0.3
405.16882	7.3
411.14688	0.6
412.14862	0.2
429.15384	0.4
444.86887	0.1
519.23370	0.3
627.22784	0.2
641.99219	0.1
681.29193	0.2
750.96051	0.2
1011.34607	0.2
1023.58777	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	1013.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01339	0.2
71.04993	1.5
73.02907	2.2
79.05470	0.7
81.03409	8.9
81.07035	0.6
81.57993	0.2
83.01307	0.2
83.04967	1.5
85.02893	10.1
87.04465	0.9
91.05469	0.7
93.07041	0.4
94.07778	0.2
95.04956	0.6
95.08604	0.3
97.02878	6.4
98.21537	0.2
99.04440	11.5
101.02365	0.3
103.03931	2.7
103.05468	0.2
105.07000	0.7
107.04977	0.4
107.08575	0.4
109.02866	19.0
109.06516	0.4
109.10098	0.2
110.03156	0.3
111.04443	0.3
115.03928	0.5
115.05480	0.3
117.07027	0.2
119.04900	0.3
119.08572	0.6
121.02845	0.3
121.06467	0.2
123.04398	1.4
125.05937	0.2
127.03899	51.1
128.04245	0.4
129.06975	0.5
131.04814	0.2
131.08557	0.3
133.06447	0.3
135.04419	0.6
135.08012	0.2
137.02325	2.2
137.05997	0.3
139.03902	0.2
143.08559	0.2
145.03874	0.3
145.04945	3.8
145.06221	0.3
147.04402	0.5
147.08028	0.5
149.02312	0.4
149.05942	0.3
151.03905	1.1
153.01836	0.2
153.05411	0.2
157.05011	0.4
157.06425	0.3
157.10133	0.2
159.04393	0.5
159.08089	0.2
159.11668	0.2
161.02327	0.4
161.05971	0.7
163.03879	0.3
163.06021	0.5
163.07370	0.2
165.09229	0.2
167.07042	0.7
169.04918	0.5
169.06277	0.3
171.07983	0.4
173.06004	0.2
175.03905	0.2
175.07533	2.0
175.14777	0.2
177.05473	0.3
181.04970	0.2
181.10109	0.3
183.08008	0.3
185.05983	0.3
187.03947	0.2
187.05988	1.8
187.07550	0.4
189.05473	0.8
191.18047	0.2
193.10049	0.5
195.07948	0.2
197.05962	0.5
199.05888	0.4
199.07524	0.4
199.11191	0.2
201.05492	0.3
203.03426	0.3
203.07031	0.3
205.05089	0.3
205.07059	0.6
207.02867	0.2
207.06412	0.3
208.08878	0.3
209.09599	0.4
211.07550	0.5
212.08360	0.3
213.05424	2.2
214.06088	0.2
215.07034	0.3
215.10594	0.2
217.04893	0.2
223.11156	0.2
224.08246	0.2
225.05457	0.5
225.09074	0.6
226.09924	0.3
227.07053	0.3
227.09021	0.2
229.06975	0.4
235.05984	0.6
239.07059	0.3
239.10728	0.4
241.04967	0.3
241.12186	0.3
243.06531	0.6
243.10098	0.2
245.09729	0.6
247.07823	0.2
248.08421	0.3
249.09256	0.4
251.07086	0.4
253.06735	1.5
257.09567	0.3
263.10706	0.4
267.10138	1.1
269.04465	0.7
271.08099	2.7
273.09296	0.4
275.10132	0.2
276.07568	0.2
283.09436	0.3
285.11365	1.4
289.09146	1.7
290.09399	0.2
291.09998	0.3
293.07953	0.3
299.05502	0.4
301.08582	0.2
303.10175	0.6
305.08142	0.3
306.09018	0.2
307.05920	0.4
307.09677	0.3
309.07401	0.3
311.05487	1.8
311.08841	0.3
312.11090	0.3
313.67578	0.2
316.07294	0.3
317.08020	0.3
318.08801	0.2
319.09555	1.4
321.07550	0.8
322.08536	0.2
323.05420	1.1
323.08820	0.3
324.05746	0.2
325.06766	0.8
329.08145	0.2
330.08832	0.3
331.09506	1.0
333.07553	0.7
334.08234	1.0
335.09143	1.4
336.09964	0.2
337.07031	2.0
337.10678	0.3
340.10880	0.4
343.09665	0.6
344.10886	0.2
345.07513	0.3
345.11255	0.2
346.08496	0.2
347.09109	6.2
348.09698	0.4
349.07007	0.5
349.10739	1.1
350.07773	0.5
351.08597	0.7
353.10196	2.3
357.07291	0.4
357.11212	0.8
358.08276	0.3
358.12134	0.3
359.09073	2.7
359.12875	0.2
361.06970	0.7
361.10956	1.3
362.07547	0.3
363.08408	1.1
363.12518	0.3
364.09369	0.7
365.10150	15.1
366.10483	0.5
367.11655	0.7
371.09070	2.7
371.13321	0.3
372.09695	0.2
373.10587	0.6
373.14435	0.8
375.08224	0.4
375.12540	1.0
377.10046	3.4
377.13889	0.3
378.10544	0.2
379.11713	1.1
383.12769	1.6
385.10626	1.4
386.11557	1.3
387.12286	0.5
389.10104	1.2
391.11682	0.7
391.15448	0.6
397.11908	1.0
401.13800	7.4
402.14148	0.2
403.11633	2.2
403.15646	0.2
404.12646	1.1
411.14255	0.2
413.08765	0.4
415.12097	1.5
418.14069	1.7
419.14828	100.0
420.15152	2.6
427.11761	0.2
429.13275	0.3
431.15076	1.4
433.13223	0.4
437.15912	38.6
438.16061	0.6
443.14856	0.4
445.12756	0.6
461.15860	2.0
479.16876	0.6
481.16428	0.3
497.16571	0.2
499.17578	0.3
509.15958	1.4
513.24561	0.2
527.16980	3.3
541.15717	0.2
545.18054	0.8
563.19128	0.7
577.16638	0.2
581.20117	2.8
599.21179	1.8
609.20349	0.2
635.17316	0.4
653.18762	0.6
663.24402	2.5
665.22510	1.3
671.20178	0.9
681.25543	1.3
683.23553	0.9
689.22211	9.0
707.23346	6.0
709.21417	0.2
725.24237	6.3
726.25262	0.2
749.24866	0.4
767.25012	1.0
771.25909	0.5
779.22925	0.4
797.24091	1.4
815.25330	5.1
825.29224	0.2
833.26318	12.6
834.25568	0.4
851.27411	14.2
852.27283	0.5
869.28491	18.6
870.27826	0.7
887.29626	3.0
995.31488	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	1005.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	0.2
71.01345	0.3
71.04981	1.2
72.08134	0.3
73.02502	0.1
73.02908	2.2
79.05482	0.4
81.03408	7.0
81.07050	0.5
83.01350	0.1
83.04968	1.1
83.08627	0.1
84.08128	0.1
85.02896	9.7
86.09739	0.1
87.04451	0.5
91.03954	0.2
91.05473	0.7
93.07017	0.3
95.04958	0.4
95.08595	0.4
97.02881	6.4
98.21449	0.3
98.89256	0.1
99.04445	10.4
101.02362	0.3
103.03278	0.3
103.03932	3.5
105.07015	0.5
106.07360	0.1
107.04975	0.5
107.08585	0.4
109.02866	16.2
109.10149	0.2
111.04431	0.5
115.03927	0.5
117.03355	0.1
117.07000	0.2
118.75431	0.2
119.04952	0.5
119.08556	0.2
121.02876	0.2
121.06469	0.3
123.04449	0.4
125.02325	0.4
125.05964	0.2
127.03902	70.4
128.04260	0.4
131.04932	0.3
131.08618	0.1
133.02863	0.2
133.06465	0.3
133.10132	0.3
134.03607	0.2
135.04385	0.2
135.08089	0.2
135.11702	0.1
137.02313	0.2
137.05968	0.6
137.09602	0.2
137.38658	0.1
139.03885	0.2
145.04944	6.5
145.10110	0.3
147.04390	1.5
148.04840	0.1
149.02344	0.2
149.05966	0.4
149.13148	0.1
151.03917	0.8
151.07512	0.3
153.01801	0.2
153.05377	0.1
157.04979	0.3
157.06372	0.1
157.09981	0.1
159.11708	0.1
161.05992	0.5
163.03906	0.5
163.06015	0.9
163.07306	0.2
165.05476	0.2
165.09100	0.2
167.07034	2.3
167.08383	0.2
169.04965	0.7
169.06320	0.2
173.04562	0.1
173.05898	0.2
173.13193	0.2
175.03903	0.3
175.07486	0.2
175.14830	0.2
177.05490	0.5
179.03288	0.2
179.07097	0.2
181.04893	0.4
181.06519	0.1
181.08536	0.2
183.08060	0.2
187.06012	2.2
187.07562	0.1
189.05461	0.4
191.03438	0.2
191.06984	0.2
191.14264	0.1
193.04980	0.4
193.08585	0.3
194.08868	0.2
195.08122	0.2
198.06728	0.3
199.05980	0.4
199.07596	0.2
201.05443	0.2
203.03433	0.2
203.06995	0.3
205.05029	0.3
205.07043	0.8
207.06522	0.5
209.08109	0.4
211.05922	0.3
211.09579	0.1
213.05516	0.3
217.04985	0.2
223.07471	0.2
226.06271	0.3
227.06985	0.7
227.09015	0.2
229.05034	0.2
229.07047	0.4
231.06633	0.2
235.05957	0.9
243.06516	0.2
245.07909	0.6
245.10316	0.2
247.05873	0.7
247.08250	0.2
253.04678	0.2
253.07034	2.2
255.06538	0.2
261.09164	0.2
262.08344	0.2
267.06503	0.4
271.08148	5.0
279.06613	0.2
279.10217	0.2
283.05887	0.3
285.07657	0.2
287.10687	0.2
289.09076	2.1
290.09296	0.1
291.06607	0.2
291.10150	0.3
293.08051	0.4
293.11365	0.2
294.09018	0.2
294.12436	0.2
295.06088	0.2
295.09326	0.1
296.06830	0.3
297.07669	0.2
301.06958	0.1
303.10095	0.7
304.10953	0.3
305.08020	0.2
305.11957	0.2
307.06119	0.3
307.09692	0.9
308.06732	0.4
309.07407	0.3
311.05542	0.2
311.09027	0.2
313.06732	0.2
315.10135	0.3
317.08237	0.2
317.64722	0.1
319.06174	0.2
319.13431	0.1
320.10461	0.1
321.07544	0.6
321.11282	0.5
322.08313	0.3
322.11859	0.2
323.05719	0.2
323.09158	1.0
324.06219	6.4
325.06866	0.7
326.07843	0.3
327.08652	0.4
331.09830	0.4
332.10406	0.4
333.11331	0.4
334.08545	0.2
335.05292	0.1
335.09058	1.9
336.06277	1.6
336.09946	0.3
337.07016	0.6
337.10532	0.3
338.07700	0.3
339.08606	11.8
340.08893	0.4
341.10083	0.2
343.09677	0.7
345.07227	0.2
346.08279	0.2
347.09039	0.3
348.09827	0.2
349.07364	0.7
349.10602	0.7
350.07742	0.8
350.11536	0.4
351.08627	2.7
351.12439	0.5
352.09137	0.1
353.09991	0.8
357.09668	2.2
359.08801	0.7
360.09863	3.6
361.10693	0.8
362.07846	0.2
363.08575	4.7
363.12912	0.3
364.09412	1.1
365.10150	1.5
365.14001	0.4
369.09567	0.6
371.11423	0.2
373.10828	0.2
375.07550	0.2
375.12238	5.6
377.10193	1.1
378.10941	10.2
379.11472	0.6
381.09534	0.3
389.12180	0.2
391.11780	0.3
393.13281	36.6
394.13651	0.8
395.11316	0.4
396.11920	1.0
397.11380	1.1
405.13397	0.3
407.10907	0.1
411.14325	100.0
412.14700	1.8
415.12250	2.0
417.14569	0.1
423.14603	0.3
429.15347	2.8
433.13235	0.8
435.14374	0.6
447.14255	0.2
451.14554	0.1
451.17517	0.2
453.15656	0.6
501.15451	1.0
519.16479	1.7
537.17719	0.4
541.15588	0.4
555.18414	0.4
573.19623	2.1
577.17200	0.2
645.19806	0.2
655.23846	2.8
656.24353	0.2
657.21753	1.4
663.20239	0.3
681.21753	7.4
696.00244	0.1
699.22784	3.7
717.23724	1.3
741.24023	0.3
759.24304	0.6
763.25714	0.3
771.21228	0.1
789.23187	0.4
807.24933	2.2
825.25800	4.4
826.25726	0.2
843.26953	3.7
861.12170	0.2
861.28003	3.2
1005.48077	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	1003.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92636	0.7
70.06580	0.2
71.01354	0.2
71.04988	1.3
72.08159	0.2
73.02911	2.3
79.05472	0.4
81.03410	8.6
81.07044	0.3
83.01315	0.2
83.04973	1.4
85.02895	11.5
85.06505	0.1
86.06087	0.1
87.04462	0.6
89.03944	0.2
91.03962	0.2
91.05482	0.5
93.07021	0.3
95.01355	0.2
95.04974	0.6
95.08587	0.3
97.02881	8.0
99.04445	12.5
101.02378	0.3
103.03931	4.7
103.05412	0.3
104.05740	0.1
105.07023	0.5
107.04950	0.6
107.08561	0.3
109.02868	18.3
109.06546	0.2
109.10121	0.3
110.02382	0.2
110.03685	0.2
111.04417	0.4
115.03909	0.8
115.05450	0.3
117.03326	0.2
117.07025	0.2
119.04916	0.5
119.08574	0.3
121.02877	0.2
121.06510	0.3
121.10135	0.2
123.04392	0.6
123.08060	0.2
123.11673	0.1
125.02322	0.5
125.06013	0.2
126.45673	0.1
127.03902	100.0
128.04243	0.4
128.06148	0.1
131.04922	0.2
131.08551	0.1
133.02888	0.2
133.06477	0.3
133.10123	0.3
134.03595	0.2
135.04410	0.3
135.08145	0.1
136.41554	0.1
137.02312	0.2
137.05966	0.7
139.03889	0.4
145.02997	0.3
145.04944	9.2
145.10091	0.1
147.04424	1.1
148.04836	0.1
149.02333	0.1
149.05972	0.4
151.03894	0.8
153.01814	0.2
153.05411	0.2
157.04948	0.4
157.06129	0.1
157.10080	0.2
161.05959	0.6
163.03889	0.4
163.06020	1.2
163.07420	0.2
165.05510	0.3
167.07028	1.5
169.04955	1.1
173.06015	0.2
175.03925	0.5
177.05458	0.6
181.04939	0.3
183.08096	0.2
185.06004	0.2
187.06010	3.2
187.07480	0.2
189.05505	0.5
189.08987	0.1
191.03423	0.4
191.07018	0.2
193.04912	0.3
193.08670	0.1
199.06020	0.4
201.05504	0.2
203.07024	0.1
205.04924	0.6
205.07066	1.0
206.04456	0.3
207.06541	0.7
209.04498	0.2
209.08047	0.7
211.05934	0.3
211.07669	0.2
211.09520	0.2
214.06248	0.4
215.07053	0.3
217.04971	0.4
227.07108	0.2
227.09219	0.3
229.05003	0.2
229.07097	0.7
235.05968	1.3
239.07054	0.3
241.04906	0.2
242.05791	0.3
243.06552	0.5
245.10201	0.2
247.08026	0.3
251.07037	0.2
253.07068	3.4
255.06474	0.4
263.37170	0.1
267.06567	0.3
271.06055	0.3
271.08130	6.9
274.09845	0.1
277.08658	0.2
279.06378	0.3
283.06000	0.4
289.09137	3.0
291.06558	0.2
291.10049	0.2
293.07996	0.3
295.05817	0.3
296.06885	0.7
298.04593	0.2
301.07111	0.1
302.09534	0.2
303.10089	0.4
305.08176	0.3
307.06210	0.2
307.10028	0.4
309.07544	0.3
311.05542	0.2
311.09094	0.2
313.06705	1.4
319.06238	0.2
319.09488	0.6
320.10394	0.4
321.07523	0.2
323.05600	0.5
323.09229	0.4
324.06238	17.8
325.07025	0.5
326.07822	0.3
327.08649	0.4
329.07193	0.1
330.08633	0.2
331.09915	0.6
333.07611	0.3
334.08456	0.4
335.09058	0.3
337.07202	0.3
338.07889	0.3
339.08591	40.3
340.09058	0.6
345.09714	0.3
347.09134	0.6
348.09955	1.4
349.10934	0.9
350.11453	0.2
351.08609	0.7
353.06329	0.1
353.10202	0.2
357.09656	16.0
358.08261	1.0
359.09210	0.3
361.10895	0.2
363.08435	0.4
363.12302	2.0
364.09326	0.6
365.10013	0.3
365.14050	0.3
366.10901	0.4
367.11734	0.5
369.09732	0.1
373.10855	0.5
375.08640	0.4
376.09399	6.1
377.09921	0.3
379.10733	0.5
381.13345	3.9
391.11722	12.2
392.12415	0.2
393.13553	0.2
394.10461	1.2
395.11246	0.5
396.12149	0.3
397.11301	1.5
399.14386	2.8
407.11221	0.2
409.12778	15.7
410.13132	0.2
411.14645	0.2
415.12299	3.0
421.12741	0.1
427.13831	81.6
428.14191	0.7
433.13455	1.3
451.08313	0.1
451.13882	0.6
453.11566	0.2
469.14917	0.9
499.13528	0.2
517.15149	1.0
535.15985	2.3
535.50861	0.1
541.15472	0.9
553.17133	0.5
571.18262	0.3
577.17529	0.3
635.21783	0.2
641.33575	0.2
643.17896	0.3
653.22705	0.1
661.18951	0.9
673.20923	0.2
679.20154	0.9
697.21161	2.4
715.22626	0.4
787.22162	0.4
805.23041	0.8
823.24274	1.8
841.25446	1.3
859.26404	0.4
877.27112	0.2
1002.52777	0.3
1003.38867	0.3
END